smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc2ccc3ccc(N4C[C@H]5CN(Cc6nccs6)C[C@@H]5C4)nc3c2n1 ZINC001164783604 721412198 /nfs/dbraw/zinc/41/21/98/721412198.db2.gz JBBBEKZONUYWIN-IAGOWNOFSA-N 0 0 421.957 4.461 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H](OCC4CC4)[C@H]3C2)nc1Cl ZINC001164897784 721497008 /nfs/dbraw/zinc/49/70/08/721497008.db2.gz FBKPBKYDNRBACZ-YDHLFZDLSA-N 0 0 401.841 4.220 20 5 HIBDRN C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc2c(c1)OCO2 ZINC000435936367 861198078 /nfs/dbraw/zinc/19/80/78/861198078.db2.gz GGZCERYSFYIVRK-GFCCVEGCSA-N 0 0 404.397 4.040 20 5 HIBDRN CN(CCOc1ccc(F)cc1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435943458 861208370 /nfs/dbraw/zinc/20/83/70/861208370.db2.gz PPPCUBOKCHEJED-UHFFFAOYSA-N 0 0 408.404 4.111 20 5 HIBDRN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435947273 861210468 /nfs/dbraw/zinc/21/04/68/861210468.db2.gz DJXFYKMKPFMOCN-UHFFFAOYSA-N 0 0 418.424 4.211 20 5 HIBDRN O=C(NCCCc1nc2ccccc2[nH]1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435948784 861213592 /nfs/dbraw/zinc/21/35/92/861213592.db2.gz JFTROUHIYSKVIP-UHFFFAOYSA-N 0 0 414.440 4.059 20 5 HIBDRN Cc1cccc(C)c1OCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435981027 861248634 /nfs/dbraw/zinc/24/86/34/861248634.db2.gz KVYFLDKZXODMMU-UHFFFAOYSA-N 0 0 422.431 4.385 20 5 HIBDRN Cc1cccc(C)c1OCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435980835 861249483 /nfs/dbraw/zinc/24/94/83/861249483.db2.gz JSYUGGHWPXFRLH-UHFFFAOYSA-N 0 0 404.441 4.246 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000435980533 861249588 /nfs/dbraw/zinc/24/95/88/861249588.db2.gz DEORMGWMKWYSFP-HNNXBMFYSA-N 0 0 423.473 4.153 20 5 HIBDRN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2cc(Cl)ccc2s1 ZINC000435986038 861256782 /nfs/dbraw/zinc/25/67/82/861256782.db2.gz QTIALSTXWZPRSH-UHFFFAOYSA-N 0 0 413.846 4.320 20 5 HIBDRN COc1ccc(CSCc2nc(COc3cccc(F)c3)no2)cc1[N+](=O)[O-] ZINC000435991590 861271643 /nfs/dbraw/zinc/27/16/43/861271643.db2.gz QKGCFDSIWJTBLC-UHFFFAOYSA-N 0 0 405.407 4.138 20 5 HIBDRN COc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c1[N+](=O)[O-] ZINC000435996052 861279058 /nfs/dbraw/zinc/27/90/58/861279058.db2.gz SFALJHHKRIERIC-HAQNSBGRSA-N 0 0 423.238 4.181 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000435997685 861281905 /nfs/dbraw/zinc/28/19/05/861281905.db2.gz XUEQJXZPDCQJBO-HDJSIYSDSA-N 0 0 407.239 4.101 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c1 ZINC000436004435 861291931 /nfs/dbraw/zinc/29/19/31/861291931.db2.gz VMVHRDDQWYRWQD-JOCQHMNTSA-N 0 0 407.239 4.481 20 5 HIBDRN Cc1cccc2nc(C3CCN(C(=O)NCCc4ccc([N+](=O)[O-])cc4)CC3)oc21 ZINC000436035947 861329003 /nfs/dbraw/zinc/32/90/03/861329003.db2.gz RGHUVJAESJCVKO-UHFFFAOYSA-N 0 0 408.458 4.176 20 5 HIBDRN COC(=O)c1ccc2[nH]cc(C(=O)COc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2c1 ZINC000436042397 861332993 /nfs/dbraw/zinc/33/29/93/861332993.db2.gz XORSVYZVDRFDMN-UHFFFAOYSA-N 0 0 422.315 4.143 20 5 HIBDRN C[C@H](Sc1nnc(C(F)(F)F)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000436053326 861341318 /nfs/dbraw/zinc/34/13/18/861341318.db2.gz PROCSXXWYDHONG-YFKPBYRVSA-N 0 0 412.802 4.238 20 5 HIBDRN CC[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc2c(c1)OCCO2 ZINC000436072379 861352769 /nfs/dbraw/zinc/35/27/69/861352769.db2.gz BPVHOMHGGHTPLP-IBGZPJMESA-N 0 0 414.461 4.334 20 5 HIBDRN O=C(NCC1(c2ccc(F)cc2)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436073023 861354484 /nfs/dbraw/zinc/35/44/84/861354484.db2.gz HGJLAQCMNGCIMR-UHFFFAOYSA-N 0 0 404.416 4.421 20 5 HIBDRN C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1cccc([N+](=O)[O-])c1 ZINC000436075878 861356115 /nfs/dbraw/zinc/35/61/15/861356115.db2.gz OGJGZCWOCGEKFZ-GFCCVEGCSA-N 0 0 405.385 4.220 20 5 HIBDRN O=C(Nc1cccc(-n2cccn2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436105753 861390718 /nfs/dbraw/zinc/39/07/18/861390718.db2.gz FCZPCHJBAKYOLP-UHFFFAOYSA-N 0 0 416.387 4.398 20 5 HIBDRN O=C(NCc1cccc(Br)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436106311 861392254 /nfs/dbraw/zinc/39/22/54/861392254.db2.gz UOQXLWYXLHMBRL-UHFFFAOYSA-N 0 0 407.267 4.374 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(F)cccc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436132483 861422016 /nfs/dbraw/zinc/42/20/16/861422016.db2.gz AWTMSAUZMWBLSF-GOSISDBHSA-N 0 0 424.378 4.352 20 5 HIBDRN CC(C)Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000436149807 861448979 /nfs/dbraw/zinc/44/89/79/861448979.db2.gz FCLGNCFLQDXFBN-UHFFFAOYSA-N 0 0 405.259 4.490 20 5 HIBDRN C[C@H](OC(=O)c1cc(F)c(F)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003445688 845021788 /nfs/dbraw/zinc/02/17/88/845021788.db2.gz AHVXSRJHBCPSSS-ZETCQYMHSA-N 0 0 419.167 4.364 20 5 HIBDRN O=C(NCc1cccnn1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000436220744 861523247 /nfs/dbraw/zinc/52/32/47/861523247.db2.gz QESXYWQLYKMWLE-UHFFFAOYSA-N 0 0 400.847 4.119 20 5 HIBDRN O=C(OCCOc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000003513921 845031380 /nfs/dbraw/zinc/03/13/80/845031380.db2.gz XKJCOXJVEWROML-UHFFFAOYSA-N 0 0 400.612 4.247 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003514096 845032880 /nfs/dbraw/zinc/03/28/80/845032880.db2.gz HQSHBFHYHSQVJV-VIFPVBQESA-N 0 0 413.213 4.094 20 5 HIBDRN Cc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000003524256 845033986 /nfs/dbraw/zinc/03/39/86/845033986.db2.gz QMNQGYGFJAHTEH-UHFFFAOYSA-N 0 0 408.483 4.170 20 5 HIBDRN C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc21 ZINC000004219416 845045098 /nfs/dbraw/zinc/04/50/98/845045098.db2.gz QKDYDHQTFDQOKZ-AWEZNQCLSA-N 0 0 410.451 4.411 20 5 HIBDRN Cc1nc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[nH]c1Cc1ccccc1 ZINC000004492627 845059658 /nfs/dbraw/zinc/05/96/58/845059658.db2.gz PGISLKQWRCJOLP-UHFFFAOYSA-N 0 0 400.435 4.087 20 5 HIBDRN CNc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000004509196 845061997 /nfs/dbraw/zinc/06/19/97/845061997.db2.gz JFFRWBFGXJBTRG-OAHLLOKOSA-N 0 0 419.437 4.488 20 5 HIBDRN O=C(NCCc1c[nH]c2cc(F)ccc12)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436224536 861527217 /nfs/dbraw/zinc/52/72/17/861527217.db2.gz CIAROBJJBHCPFX-UHFFFAOYSA-N 0 0 417.415 4.413 20 5 HIBDRN Cc1cccc(C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000004580306 845064191 /nfs/dbraw/zinc/06/41/91/845064191.db2.gz GGTNPNALEKQXIO-LLVKDONJSA-N 0 0 411.241 4.244 20 5 HIBDRN Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000005052302 845078829 /nfs/dbraw/zinc/07/88/29/845078829.db2.gz BRIXRPAFIPUCLX-UHFFFAOYSA-N 0 0 404.422 4.290 20 5 HIBDRN O=C(COC(=O)c1ccccc1[N+](=O)[O-])NCCC(c1ccccc1)c1ccccc1 ZINC000005032080 845079132 /nfs/dbraw/zinc/07/91/32/845079132.db2.gz MOPBASVFNXEPRL-UHFFFAOYSA-N 0 0 418.449 4.090 20 5 HIBDRN Cc1cccc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)c1[N+](=O)[O-] ZINC000005227928 845093499 /nfs/dbraw/zinc/09/34/99/845093499.db2.gz QIWXDDZBFFUOHO-UHFFFAOYSA-N 0 0 404.422 4.290 20 5 HIBDRN Cc1cccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)c1[N+](=O)[O-] ZINC000005228177 845093759 /nfs/dbraw/zinc/09/37/59/845093759.db2.gz RBYRRVOULBVNGV-UHFFFAOYSA-N 0 0 406.394 4.491 20 5 HIBDRN Cc1ccc(NC(=O)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(Cl)c1 ZINC000436228320 861530904 /nfs/dbraw/zinc/53/09/04/861530904.db2.gz USFINNIFHWBWBR-UHFFFAOYSA-N 0 0 419.868 4.012 20 5 HIBDRN CNc1ccc(C(=O)OCc2csc(Nc3ccc(OC)cc3)n2)cc1[N+](=O)[O-] ZINC000005363353 845106898 /nfs/dbraw/zinc/10/68/98/845106898.db2.gz NVCDYWXTACPORR-UHFFFAOYSA-N 0 0 414.443 4.202 20 5 HIBDRN C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005391927 845108749 /nfs/dbraw/zinc/10/87/49/845108749.db2.gz FHYMBIYTLOWYNI-JTQLQIEISA-N 0 0 404.835 4.418 20 5 HIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(F)cc1Cl ZINC000005508585 845121482 /nfs/dbraw/zinc/12/14/82/845121482.db2.gz BHOSFWMFOPWXKC-MRVPVSSYSA-N 0 0 401.177 4.225 20 5 HIBDRN O=C(OCCOc1ccccc1Cl)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000005536128 845122545 /nfs/dbraw/zinc/12/25/45/845122545.db2.gz BKVBSBIKPFALCU-UHFFFAOYSA-N 0 0 400.612 4.247 20 5 HIBDRN Cc1cc(C)c(C(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1C ZINC000005536125 845122591 /nfs/dbraw/zinc/12/25/91/845122591.db2.gz KJSWIMCCBVGMCB-UHFFFAOYSA-N 0 0 406.232 4.322 20 5 HIBDRN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000005673853 845134912 /nfs/dbraw/zinc/13/49/12/845134912.db2.gz IEWAIGWXYNRJQQ-MRXNPFEDSA-N 0 0 404.422 4.046 20 5 HIBDRN C[C@H](OC(=O)c1c2ccccc2cc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000005743764 845138764 /nfs/dbraw/zinc/13/87/64/845138764.db2.gz CSCOWRSHJSSASV-HNNXBMFYSA-N 0 0 412.445 4.276 20 5 HIBDRN O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(N2CCCCC2)cc1 ZINC000005710749 845138775 /nfs/dbraw/zinc/13/87/75/845138775.db2.gz UFUOKMOCEOKSBI-UHFFFAOYSA-N 0 0 417.849 4.034 20 5 HIBDRN COc1ccc(-c2nc(COC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cs2)cc1 ZINC000005740190 845138806 /nfs/dbraw/zinc/13/88/06/845138806.db2.gz CEQBQVYZHMOLJF-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000005783826 845141598 /nfs/dbraw/zinc/14/15/98/845141598.db2.gz UGRBHBWKIZMHPF-HXUWFJFHSA-N 0 0 406.394 4.146 20 5 HIBDRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000005853699 845145826 /nfs/dbraw/zinc/14/58/26/845145826.db2.gz ZFNRDNHIEVBGMW-UHFFFAOYSA-N 0 0 402.712 4.063 20 5 HIBDRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000005872887 845148831 /nfs/dbraw/zinc/14/88/31/845148831.db2.gz ZMPZPWNONNRWLZ-LLVKDONJSA-N 0 0 409.847 4.339 20 5 HIBDRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005873267 845148881 /nfs/dbraw/zinc/14/88/81/845148881.db2.gz WWFIELCDWASFOC-NWDGAFQWSA-N 0 0 408.863 4.299 20 5 HIBDRN COc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])cc3)cs2)cc1OC ZINC000005966031 845153358 /nfs/dbraw/zinc/15/33/58/845153358.db2.gz JTLLHVSHECNCEO-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000005975336 845155111 /nfs/dbraw/zinc/15/51/11/845155111.db2.gz DAGNKLOFUGJHQA-VIFPVBQESA-N 0 0 402.350 4.168 20 5 HIBDRN Cc1ccc(NC(=O)COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000005972773 845155334 /nfs/dbraw/zinc/15/53/34/845155334.db2.gz HXBZYSMSSGVXKE-UHFFFAOYSA-N 0 0 419.437 4.311 20 5 HIBDRN O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000005981139 845156437 /nfs/dbraw/zinc/15/64/37/845156437.db2.gz VALSQWALONBCQM-UHFFFAOYSA-N 0 0 402.712 4.063 20 5 HIBDRN C[C@@H](OC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Br)cc1 ZINC000006012722 845160779 /nfs/dbraw/zinc/16/07/79/845160779.db2.gz MFWXURXAURRUDH-KBVBDRTLSA-N 0 0 404.216 4.185 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](OC(=O)/C=C/c2ccco2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006012087 845160811 /nfs/dbraw/zinc/16/08/11/845160811.db2.gz TVLIFFFRWMZHTJ-ACUNGTFPSA-N 0 0 406.394 4.433 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000006060529 845163874 /nfs/dbraw/zinc/16/38/74/845163874.db2.gz DJUNZUKXEVMGJU-QMMMGPOBSA-N 0 0 401.177 4.225 20 5 HIBDRN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000006062013 845165366 /nfs/dbraw/zinc/16/53/66/845165366.db2.gz BTGDUDZJDVFADA-UHFFFAOYSA-N 0 0 414.849 4.377 20 5 HIBDRN O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006085055 845168760 /nfs/dbraw/zinc/16/87/60/845168760.db2.gz PMTRRTQPIQYDEI-UHFFFAOYSA-N 0 0 403.605 4.351 20 5 HIBDRN Cc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000006099828 845171086 /nfs/dbraw/zinc/17/10/86/845171086.db2.gz QARIWRGTYMRUPE-UHFFFAOYSA-N 0 0 419.437 4.311 20 5 HIBDRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1F ZINC000006099846 845171123 /nfs/dbraw/zinc/17/11/23/845171123.db2.gz IBWLVDJQVQCDMV-UHFFFAOYSA-N 0 0 408.385 4.386 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000006128445 845176223 /nfs/dbraw/zinc/17/62/23/845176223.db2.gz MAOFXWJPSWEDQO-UHFFFAOYSA-N 0 0 409.471 4.092 20 5 HIBDRN CC1CCN(c2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])CC1 ZINC000006317877 845189932 /nfs/dbraw/zinc/18/99/32/845189932.db2.gz RBKCDAFKDGPXHH-UHFFFAOYSA-N 0 0 400.406 4.010 20 5 HIBDRN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000006612189 845214225 /nfs/dbraw/zinc/21/42/25/845214225.db2.gz BLPIQGCHDGOHMI-UHFFFAOYSA-N 0 0 404.378 4.014 20 5 HIBDRN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2n1 ZINC000006903425 845221813 /nfs/dbraw/zinc/22/18/13/845221813.db2.gz HSKAQBCWSQXLLR-LBPRGKRZSA-N 0 0 413.817 4.289 20 5 HIBDRN Cc1nnc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1-c1ccccc1 ZINC000006976112 845227630 /nfs/dbraw/zinc/22/76/30/845227630.db2.gz QQPXMMQHXFQCLV-GFCCVEGCSA-N 0 0 408.443 4.387 20 5 HIBDRN COc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(OC)c1 ZINC000007056890 845243887 /nfs/dbraw/zinc/24/38/87/845243887.db2.gz 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/nfs/dbraw/zinc/36/11/20/846361120.db2.gz PEWZCPAVZWWFFO-UHFFFAOYSA-N 0 0 422.437 4.110 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000019284853 846361248 /nfs/dbraw/zinc/36/12/48/846361248.db2.gz JPHRUKXATZHTQL-FQEVSTJZSA-N 0 0 424.384 4.279 20 5 HIBDRN COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 ZINC000019684398 846372995 /nfs/dbraw/zinc/37/29/95/846372995.db2.gz OCGGFCDLXNVVAF-QGZVFWFLSA-N 0 0 410.879 4.091 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000020630448 846386406 /nfs/dbraw/zinc/38/64/06/846386406.db2.gz CIXJIFAVBHDPGE-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000020787652 846388325 /nfs/dbraw/zinc/38/83/25/846388325.db2.gz UHAAWYAANYSNPW-UHFFFAOYSA-N 0 0 408.741 4.124 20 5 HIBDRN C[C@H](OC(=O)c1cc(F)cc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000020991422 846398476 /nfs/dbraw/zinc/39/84/76/846398476.db2.gz HRTWMGRZJXYUPP-QMMMGPOBSA-N 0 0 418.274 4.076 20 5 HIBDRN COc1ccc(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000021330387 846430594 /nfs/dbraw/zinc/43/05/94/846430594.db2.gz MDDUYTAWAXDCEI-UHFFFAOYSA-N 0 0 416.817 4.212 20 5 HIBDRN C[C@H](OC(=O)/C=C/c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000021347695 846433163 /nfs/dbraw/zinc/43/31/63/846433163.db2.gz SFOINUKSZQFZNR-STUBTGCMSA-N 0 0 414.361 4.259 20 5 HIBDRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])o1 ZINC000021545551 846459335 /nfs/dbraw/zinc/45/93/35/846459335.db2.gz CSBFELFEJAQOPZ-UHFFFAOYSA-N 0 0 414.443 4.083 20 5 HIBDRN CCOc1ccccc1-c1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)o1 ZINC000021545710 846460537 /nfs/dbraw/zinc/46/05/37/846460537.db2.gz CSVOMYBOFKITFH-UHFFFAOYSA-N 0 0 415.427 4.202 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3ccccc3nc2N2CCCC2)c1 ZINC000021553329 846461811 /nfs/dbraw/zinc/46/18/11/846461811.db2.gz AHDGHAFIBQIWSK-UHFFFAOYSA-N 0 0 409.471 4.112 20 5 HIBDRN Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000021594559 846468183 /nfs/dbraw/zinc/46/81/83/846468183.db2.gz RRPFCTCXXXTIJQ-UHFFFAOYSA-N 0 0 402.863 4.473 20 5 HIBDRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000021676318 846481672 /nfs/dbraw/zinc/48/16/72/846481672.db2.gz PSJHXDVGIQNUKQ-SNVBAGLBSA-N 0 0 412.826 4.050 20 5 HIBDRN COc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000021676347 846481840 /nfs/dbraw/zinc/48/18/40/846481840.db2.gz NGISQCOEKCGNEN-UHFFFAOYSA-N 0 0 421.240 4.407 20 5 HIBDRN C[C@@H](SC(=S)N1CCCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000021728006 846487350 /nfs/dbraw/zinc/48/73/50/846487350.db2.gz MIKKLVQNJHBRQK-LLVKDONJSA-N 0 0 422.557 4.159 20 5 HIBDRN C[C@@H](OC(=O)c1ccccc1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021728260 846487630 /nfs/dbraw/zinc/48/76/30/846487630.db2.gz PRNYWXXUVNCLHF-SECBINFHSA-N 0 0 414.748 4.034 20 5 HIBDRN CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000021740817 846489807 /nfs/dbraw/zinc/48/98/07/846489807.db2.gz ZVJRTVYDAKXIBS-CQSZACIVSA-N 0 0 416.499 4.382 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccccc2NCc2ccco2)cccc1[N+](=O)[O-] ZINC000021837035 846500781 /nfs/dbraw/zinc/50/07/81/846500781.db2.gz JYSAPNDLXMVWMF-OAHLLOKOSA-N 0 0 423.425 4.292 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)CSc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000021975187 846516469 /nfs/dbraw/zinc/51/64/69/846516469.db2.gz WVIYDHILCLCIKH-GFCCVEGCSA-N 0 0 408.863 4.219 20 5 HIBDRN Cc1ccc2c(CC(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)coc2c1C ZINC000022105968 846531672 /nfs/dbraw/zinc/53/16/72/846531672.db2.gz FWBQKIBIMVXCQD-HNNXBMFYSA-N 0 0 410.426 4.379 20 5 HIBDRN COc1cccc(-n2ccnc2SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000022133828 846535168 /nfs/dbraw/zinc/53/51/68/846535168.db2.gz UHUIEXHMNHCIJJ-UHFFFAOYSA-N 0 0 409.427 4.131 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000436359495 861688659 /nfs/dbraw/zinc/68/86/59/861688659.db2.gz KKACVVGHZPPFRC-JOYOIKCWSA-N 0 0 417.290 4.291 20 5 HIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000022161633 846538809 /nfs/dbraw/zinc/53/88/09/846538809.db2.gz LBVKLEANGPHAPI-ZIAGYGMSSA-N 0 0 402.472 4.048 20 5 HIBDRN CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000022184025 846541561 /nfs/dbraw/zinc/54/15/61/846541561.db2.gz KJJNUWWCPRFHCD-NSHDSACASA-N 0 0 421.247 4.104 20 5 HIBDRN CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000022243452 846548991 /nfs/dbraw/zinc/54/89/91/846548991.db2.gz XEYUSPVZBHSAIW-GFCCVEGCSA-N 0 0 415.471 4.075 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000022289650 846553841 /nfs/dbraw/zinc/55/38/41/846553841.db2.gz SMNDFWBIDJUONC-ZDUSSCGKSA-N 0 0 406.533 4.157 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000022435994 846570430 /nfs/dbraw/zinc/57/04/30/846570430.db2.gz MRCBLFNDPBCUHQ-HSZRJFAPSA-N 0 0 424.428 4.369 20 5 HIBDRN C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 ZINC000022444381 846571341 /nfs/dbraw/zinc/57/13/41/846571341.db2.gz NXVKOOGNYNUTJQ-INIZCTEOSA-N 0 0 404.422 4.370 20 5 HIBDRN CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000022500722 846580677 /nfs/dbraw/zinc/58/06/77/846580677.db2.gz AIXSMFQJILVRDZ-JOCHJYFZSA-N 0 0 422.412 4.139 20 5 HIBDRN Cc1cn2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)ccc2n1 ZINC000436361935 861694414 /nfs/dbraw/zinc/69/44/14/861694414.db2.gz OFXNXNOKVMPQNK-UHFFFAOYSA-N 0 0 404.376 4.168 20 5 HIBDRN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000022547696 846584448 /nfs/dbraw/zinc/58/44/48/846584448.db2.gz WSJVEYALKUSWAN-AWEZNQCLSA-N 0 0 404.850 4.231 20 5 HIBDRN O=C(Nc1nc2c(ccc3ccccc23)s1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000022571322 846589298 /nfs/dbraw/zinc/58/92/98/846589298.db2.gz NGPXRVULOTXDNI-UHFFFAOYSA-N 0 0 416.422 4.191 20 5 HIBDRN Cc1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000022596825 846592987 /nfs/dbraw/zinc/59/29/87/846592987.db2.gz YQNAORYXZXSBLY-OAHLLOKOSA-N 0 0 401.850 4.048 20 5 HIBDRN CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1 ZINC000022622583 846596091 /nfs/dbraw/zinc/59/60/91/846596091.db2.gz NTUDNHFEKHBOFH-UHFFFAOYSA-N 0 0 422.393 4.161 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000022794688 846621572 /nfs/dbraw/zinc/62/15/72/846621572.db2.gz QONYUFBXRDVNJO-NEPJUHHUSA-N 0 0 416.817 4.417 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000022794695 846621643 /nfs/dbraw/zinc/62/16/43/846621643.db2.gz QONYUFBXRDVNJO-RYUDHWBXSA-N 0 0 416.817 4.417 20 5 HIBDRN C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCC[C@H]1c1cccs1 ZINC000022795129 846621751 /nfs/dbraw/zinc/62/17/51/846621751.db2.gz WSSWDXCHRXHUPT-NHYWBVRUSA-N 0 0 408.863 4.219 20 5 HIBDRN CC(=O)N1CCc2cc(Nc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])ccc21 ZINC000022803290 846622837 /nfs/dbraw/zinc/62/28/37/846622837.db2.gz SSQWHSACJUIIIG-UHFFFAOYSA-N 0 0 401.422 4.478 20 5 HIBDRN CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])o2)cc1 ZINC000022833820 846627699 /nfs/dbraw/zinc/62/76/99/846627699.db2.gz HTMYDMDGTGAORT-UHFFFAOYSA-N 0 0 422.393 4.161 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1OC ZINC000023385944 846692374 /nfs/dbraw/zinc/69/23/74/846692374.db2.gz PGWHPCFMWCFXSQ-SFHVURJKSA-N 0 0 411.458 4.164 20 5 HIBDRN COc1ccc(S(=O)(=O)Oc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000023391402 846693526 /nfs/dbraw/zinc/69/35/26/846693526.db2.gz XPWZOASMNVSZMD-UHFFFAOYSA-N 0 0 412.634 4.331 20 5 HIBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000023879169 846754727 /nfs/dbraw/zinc/75/47/27/846754727.db2.gz POMCYOQBHWMFNM-UHFFFAOYSA-N 0 0 401.426 4.228 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCc2cc(Br)ccc2C1 ZINC000436374276 861716081 /nfs/dbraw/zinc/71/60/81/861716081.db2.gz WJUBYGRGJXOINN-UHFFFAOYSA-N 0 0 402.170 4.334 20 5 HIBDRN CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024005290 846771634 /nfs/dbraw/zinc/77/16/34/846771634.db2.gz FENBRTKCGUQCEE-UHFFFAOYSA-N 0 0 405.857 4.262 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Sc1nnnn1-c1ccccc1 ZINC000024106532 846790924 /nfs/dbraw/zinc/79/09/24/846790924.db2.gz WOMBUORFIHGDJN-UHFFFAOYSA-N 0 0 401.757 4.394 20 5 HIBDRN C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000024261868 846807956 /nfs/dbraw/zinc/80/79/56/846807956.db2.gz VKEPSWNPJWDYKE-INIZCTEOSA-N 0 0 417.465 4.383 20 5 HIBDRN O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000024302826 846810525 /nfs/dbraw/zinc/81/05/25/846810525.db2.gz ZUIHMCHIDWBRSZ-UHFFFAOYSA-N 0 0 424.269 4.213 20 5 HIBDRN O=C(OCc1coc(-c2ccccc2)n1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000024298886 846810533 /nfs/dbraw/zinc/81/05/33/846810533.db2.gz FIRJGLFTJQVHPR-UHFFFAOYSA-N 0 0 403.188 4.369 20 5 HIBDRN C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000024302864 846811512 /nfs/dbraw/zinc/81/15/12/846811512.db2.gz VOKAAKKWZOLHNI-SNVBAGLBSA-N 0 0 421.841 4.087 20 5 HIBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000024372826 846819012 /nfs/dbraw/zinc/81/90/12/846819012.db2.gz SHRFMPJFQYOMTK-UHFFFAOYSA-N 0 0 407.401 4.283 20 5 HIBDRN C[C@H](OC(=O)c1cc2c(cccc2F)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000024453645 846825994 /nfs/dbraw/zinc/82/59/94/846825994.db2.gz BXVYNHRXWRWDRC-VIFPVBQESA-N 0 0 406.366 4.272 20 5 HIBDRN Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000024483613 846830645 /nfs/dbraw/zinc/83/06/45/846830645.db2.gz WTMOXXPTTGCAHL-LBPRGKRZSA-N 0 0 417.878 4.257 20 5 HIBDRN Cc1ccc(-n2cnnc2SCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1Cl ZINC000024647041 846848865 /nfs/dbraw/zinc/84/88/65/846848865.db2.gz HSACEYZBWDCNJQ-UHFFFAOYSA-N 0 0 418.862 4.296 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000436385862 861728366 /nfs/dbraw/zinc/72/83/66/861728366.db2.gz OTMQGDTWUNGLOF-CQSZACIVSA-N 0 0 419.306 4.188 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000024883440 846881973 /nfs/dbraw/zinc/88/19/73/846881973.db2.gz HOAGKOGTTUKQPN-UHFFFAOYSA-N 0 0 409.423 4.160 20 5 HIBDRN CNC(=O)c1ccc(C)c(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000024923046 846891238 /nfs/dbraw/zinc/89/12/38/846891238.db2.gz NHODFZCYUMOWNK-UHFFFAOYSA-N 0 0 404.426 4.259 20 5 HIBDRN CCc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000024997932 846901582 /nfs/dbraw/zinc/90/15/82/846901582.db2.gz LDEJVPBDUMZJJL-KBPBESRZSA-N 0 0 402.472 4.208 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000025181742 846937614 /nfs/dbraw/zinc/93/76/14/846937614.db2.gz TXZMVZUFAXPOIC-UGSOOPFHSA-N 0 0 407.923 4.148 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(Cl)c[nH]2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000025195081 846940823 /nfs/dbraw/zinc/94/08/23/846940823.db2.gz JJTTVMFZTQLAAY-SFHVURJKSA-N 0 0 413.817 4.422 20 5 HIBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1SC1CCCC1 ZINC000025265305 846950012 /nfs/dbraw/zinc/95/00/12/846950012.db2.gz SQBXCTVBYXBAKV-UHFFFAOYSA-N 0 0 413.499 4.388 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000025398236 846972627 /nfs/dbraw/zinc/97/26/27/846972627.db2.gz UNYNKGLYADFIRX-OAQYLSRUSA-N 0 0 417.465 4.190 20 5 HIBDRN O=C(CN1CCC[C@@H]1c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000025441909 846977659 /nfs/dbraw/zinc/97/76/59/846977659.db2.gz PRDNAZIJYZNLIT-QGZVFWFLSA-N 0 0 422.254 4.272 20 5 HIBDRN O=C(CN1CCC[C@H]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000025439075 846977675 /nfs/dbraw/zinc/97/76/75/846977675.db2.gz MTQPBCAUSBPDEA-HNNXBMFYSA-N 0 0 418.291 4.003 20 5 HIBDRN O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000025447333 846978092 /nfs/dbraw/zinc/97/80/92/846978092.db2.gz WDZITCILPXOJMQ-UHFFFAOYSA-N 0 0 402.357 4.271 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000436401336 861747608 /nfs/dbraw/zinc/74/76/08/861747608.db2.gz OWQWXRKWAIMHCZ-UHFFFAOYSA-N 0 0 413.743 4.367 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000025908315 847056103 /nfs/dbraw/zinc/05/61/03/847056103.db2.gz KWKGOEDTWXQHLC-HXUWFJFHSA-N 0 0 415.446 4.122 20 5 HIBDRN Cc1ccc(C(C)C)c(OCc2nnc(SCc3cccc([N+](=O)[O-])c3)n2N)c1 ZINC000026108392 847086448 /nfs/dbraw/zinc/08/64/48/847086448.db2.gz GGIXFBDSNKKOQT-UHFFFAOYSA-N 0 0 413.503 4.203 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000026118136 847089376 /nfs/dbraw/zinc/08/93/76/847089376.db2.gz MPYGAOBBLAVGSA-NSHDSACASA-N 0 0 411.241 4.244 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)OCCOc3cccc(C)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000026160606 847097694 /nfs/dbraw/zinc/09/76/94/847097694.db2.gz ORNYLXYUXUNGDW-UHFFFAOYSA-N 0 0 409.442 4.001 20 5 HIBDRN O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000026261141 847116866 /nfs/dbraw/zinc/11/68/66/847116866.db2.gz PHFUFQLNCWGPBD-UHFFFAOYSA-N 0 0 423.816 4.351 20 5 HIBDRN CC(C)Cn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccco1 ZINC000026343281 847128998 /nfs/dbraw/zinc/12/89/98/847128998.db2.gz JVEUZODUQFHMBN-UHFFFAOYSA-N 0 0 415.475 4.223 20 5 HIBDRN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026346925 847129376 /nfs/dbraw/zinc/12/93/76/847129376.db2.gz ILWKDWGGKGJSBY-SFHVURJKSA-N 0 0 403.482 4.321 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)CN(C)Cc2ccccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000026347953 847130495 /nfs/dbraw/zinc/13/04/95/847130495.db2.gz GULHMLOUWNRGHW-JOCHJYFZSA-N 0 0 409.511 4.302 20 5 HIBDRN O=C(CCSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000026369611 847135603 /nfs/dbraw/zinc/13/56/03/847135603.db2.gz XMKAXBBIPSANIB-UHFFFAOYSA-N 0 0 423.498 4.233 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000026565761 847170183 /nfs/dbraw/zinc/17/01/83/847170183.db2.gz YXALMAZKJBCEAC-NRFANRHFSA-N 0 0 412.467 4.258 20 5 HIBDRN Cc1ccccc1CNC(=O)[C@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C ZINC000026580931 847173603 /nfs/dbraw/zinc/17/36/03/847173603.db2.gz IFSZOHQSFCEIRH-INIZCTEOSA-N 0 0 417.534 4.192 20 5 HIBDRN Cc1ccsc1CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000026730523 847191276 /nfs/dbraw/zinc/19/12/76/847191276.db2.gz BRKJRFLQEPRQAD-UHFFFAOYSA-N 0 0 409.533 4.142 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000026818285 847203309 /nfs/dbraw/zinc/20/33/09/847203309.db2.gz GZIITIZMPMCHDH-GJZGRUSLSA-N 0 0 413.474 4.347 20 5 HIBDRN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000026903282 847219816 /nfs/dbraw/zinc/21/98/16/847219816.db2.gz JMBKGJPIDGOXSK-AWEZNQCLSA-N 0 0 416.861 4.232 20 5 HIBDRN CCNc1nc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc2ccccc21 ZINC000027914706 847363024 /nfs/dbraw/zinc/36/30/24/847363024.db2.gz DAYREMMAXNARHM-ZDUSSCGKSA-N 0 0 411.487 4.398 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000027952479 847367907 /nfs/dbraw/zinc/36/79/07/847367907.db2.gz ZOMAXPIOEZMMED-AWEZNQCLSA-N 0 0 417.512 4.081 20 5 HIBDRN Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000028288244 847402925 /nfs/dbraw/zinc/40/29/25/847402925.db2.gz VPNFLYIXRWHTAS-UHFFFAOYSA-N 0 0 415.789 4.007 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1 ZINC000028400391 847416051 /nfs/dbraw/zinc/41/60/51/847416051.db2.gz AEULXTJOCJNYMS-FQEVSTJZSA-N 0 0 414.483 4.049 20 5 HIBDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000028414685 847417757 /nfs/dbraw/zinc/41/77/57/847417757.db2.gz PGXSMVNKWVMSKW-UHFFFAOYSA-N 0 0 422.431 4.415 20 5 HIBDRN C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000028682688 847445661 /nfs/dbraw/zinc/44/56/61/847445661.db2.gz LCLBRHYZCAYRHR-LLVKDONJSA-N 0 0 417.878 4.163 20 5 HIBDRN O=C(Nc1ccc(OC2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000029024988 847494469 /nfs/dbraw/zinc/49/44/69/847494469.db2.gz YFNKDQKCPBYEIG-UHFFFAOYSA-N 0 0 411.458 4.005 20 5 HIBDRN CC(C)[C@H](NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000029270686 847535368 /nfs/dbraw/zinc/53/53/68/847535368.db2.gz WNWPKOHNTAJADQ-SFHVURJKSA-N 0 0 408.813 4.058 20 5 HIBDRN CC(C)[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000029274571 847536361 /nfs/dbraw/zinc/53/63/61/847536361.db2.gz WAEYOMKOPNUONT-SFHVURJKSA-N 0 0 408.813 4.058 20 5 HIBDRN COC(=O)c1cc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000029849609 847633763 /nfs/dbraw/zinc/63/37/63/847633763.db2.gz ZUPNKEPHVZYVFQ-QFIPXVFZSA-N 0 0 416.433 4.169 20 5 HIBDRN CCOc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1OCc1cccnc1 ZINC000029888086 847641990 /nfs/dbraw/zinc/64/19/90/847641990.db2.gz LAEYNRPBSXZAAX-UHFFFAOYSA-N 0 0 419.437 4.170 20 5 HIBDRN O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000030175106 847685660 /nfs/dbraw/zinc/68/56/60/847685660.db2.gz WPMGEMDEKKSDPY-MRXNPFEDSA-N 0 0 411.439 4.179 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000030332748 847703518 /nfs/dbraw/zinc/70/35/18/847703518.db2.gz IFEHBSQZZHVKRQ-OAHLLOKOSA-N 0 0 403.485 4.039 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000030363672 847706388 /nfs/dbraw/zinc/70/63/88/847706388.db2.gz WSJZUBJLHPGETD-SFHVURJKSA-N 0 0 411.849 4.115 20 5 HIBDRN CC(C)CCN(CCC(C)C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000030469491 847718434 /nfs/dbraw/zinc/71/84/34/847718434.db2.gz AXTXGXOHJBWKDG-UHFFFAOYSA-N 0 0 419.551 4.409 20 5 HIBDRN CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)s1 ZINC000030560331 847736352 /nfs/dbraw/zinc/73/63/52/847736352.db2.gz AQUCEKVPQWKJQT-UHFFFAOYSA-N 0 0 400.416 4.062 20 5 HIBDRN COCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000030845846 847785369 /nfs/dbraw/zinc/78/53/69/847785369.db2.gz PKOIDPPYWCSNBC-UHFFFAOYSA-N 0 0 422.437 4.472 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 ZINC000030859275 847786617 /nfs/dbraw/zinc/78/66/17/847786617.db2.gz KZMQHNRBOPSCLV-INIZCTEOSA-N 0 0 403.866 4.111 20 5 HIBDRN O=C(NCCOc1ccccc1F)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000031384552 847872735 /nfs/dbraw/zinc/87/27/35/847872735.db2.gz DMFFEXTXOZVWEV-UHFFFAOYSA-N 0 0 409.417 4.155 20 5 HIBDRN CCOc1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000031795103 847951562 /nfs/dbraw/zinc/95/15/62/847951562.db2.gz IFPZTGIXOXIDNX-GFCCVEGCSA-N 0 0 415.471 4.445 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000031893528 847961200 /nfs/dbraw/zinc/96/12/00/847961200.db2.gz FQAFIDFRPXWQLB-UHFFFAOYSA-N 0 0 416.377 4.374 20 5 HIBDRN Cc1cc(Br)ccc1SCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000031930765 847966468 /nfs/dbraw/zinc/96/64/68/847966468.db2.gz QVRWEROMYWETMU-UHFFFAOYSA-N 0 0 409.305 4.416 20 5 HIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000032141311 847988186 /nfs/dbraw/zinc/98/81/86/847988186.db2.gz VALBVRGNKCACFH-UHFFFAOYSA-N 0 0 407.430 4.017 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000032245941 847994327 /nfs/dbraw/zinc/99/43/27/847994327.db2.gz MZXTZIXZIXXARO-HNNXBMFYSA-N 0 0 416.384 4.263 20 5 HIBDRN COC(=O)CCCN(C)C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000032278126 847996733 /nfs/dbraw/zinc/99/67/33/847996733.db2.gz SHIVXNZHVRPDMI-UHFFFAOYSA-N 0 0 402.472 4.080 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccccc3OC(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000032285677 847996915 /nfs/dbraw/zinc/99/69/15/847996915.db2.gz GYOLKPBPSAYRCT-UHFFFAOYSA-N 0 0 408.458 4.496 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000032370938 848014261 /nfs/dbraw/zinc/01/42/61/848014261.db2.gz HSEUADDCIXBYDP-UHFFFAOYSA-N 0 0 415.247 4.020 20 5 HIBDRN Cn1c(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])nc2sccc2c1=O ZINC000032509865 848041877 /nfs/dbraw/zinc/04/18/77/848041877.db2.gz CWJDGMHKHPZKGG-UHFFFAOYSA-N 0 0 423.475 4.285 20 5 HIBDRN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 ZINC000032698721 848065732 /nfs/dbraw/zinc/06/57/32/848065732.db2.gz GNIGREKNQLCAOZ-UHFFFAOYSA-N 0 0 414.443 4.083 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(CCc2ccccc2)CC1 ZINC000033229638 848129707 /nfs/dbraw/zinc/12/97/07/848129707.db2.gz HTBZPVXQIBQFRS-UHFFFAOYSA-N 0 0 404.470 4.266 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000036063373 848146383 /nfs/dbraw/zinc/14/63/83/848146383.db2.gz YKALTGMVYVQKHC-UHFFFAOYSA-N 0 0 404.448 4.059 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nnc(-c3ccc(Br)o3)o2)c(Cl)c1 ZINC000036654671 848152815 /nfs/dbraw/zinc/15/28/15/848152815.db2.gz ZAQPTENSRQQYRJ-UHFFFAOYSA-N 0 0 400.572 4.233 20 5 HIBDRN COc1cc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000036725988 848157926 /nfs/dbraw/zinc/15/79/26/848157926.db2.gz GCISTGVULYYCSN-UHFFFAOYSA-N 0 0 420.465 4.497 20 5 HIBDRN CCCCCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000037989479 848175563 /nfs/dbraw/zinc/17/55/63/848175563.db2.gz STGBAVOUMTVESM-LLVKDONJSA-N 0 0 404.248 4.288 20 5 HIBDRN COCCN(Cc1ccccc1)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000039479352 848185136 /nfs/dbraw/zinc/18/51/36/848185136.db2.gz FUEWINMJPYSMOE-SFHVURJKSA-N 0 0 411.502 4.120 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000039547862 848187926 /nfs/dbraw/zinc/18/79/26/848187926.db2.gz IVVAMNNGXXNDKN-VIFPVBQESA-N 0 0 418.749 4.124 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000041202083 848205302 /nfs/dbraw/zinc/20/53/02/848205302.db2.gz AMOSONABGIPGAB-NRFANRHFSA-N 0 0 415.405 4.185 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000041398964 848212767 /nfs/dbraw/zinc/21/27/67/848212767.db2.gz IUDVVIRRRFDKHY-AWEZNQCLSA-N 0 0 401.488 4.108 20 5 HIBDRN C[C@H](c1nnc(Sc2ccc([N+](=O)[O-])cc2F)n1-c1ccc(F)cc1)N(C)C ZINC000042097325 848285295 /nfs/dbraw/zinc/28/52/95/848285295.db2.gz XYZVRQUQWOVVBZ-LLVKDONJSA-N 0 0 405.430 4.228 20 5 HIBDRN O=C(c1cc2ccccc2c2cccnc12)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000042105503 848286913 /nfs/dbraw/zinc/28/69/13/848286913.db2.gz KQLUEKWRTDNWDC-UHFFFAOYSA-N 0 0 401.510 4.253 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000042114598 848287983 /nfs/dbraw/zinc/28/79/83/848287983.db2.gz FGXUQEZHSVDZBR-UHFFFAOYSA-N 0 0 417.874 4.347 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccnc1Oc1cccc(F)c1 ZINC000043050343 848378349 /nfs/dbraw/zinc/37/83/49/848378349.db2.gz VWMAGVCPWDTURL-UHFFFAOYSA-N 0 0 413.430 4.330 20 5 HIBDRN O=C(NCc1ccc(OCC(F)(F)F)nc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000043089771 848382886 /nfs/dbraw/zinc/38/28/86/848382886.db2.gz FCIAYSIEBUWQTI-UHFFFAOYSA-N 0 0 411.361 4.076 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1OCC ZINC000043118768 848386368 /nfs/dbraw/zinc/38/63/68/848386368.db2.gz QPUMVJZJGLAIOH-OAHLLOKOSA-N 0 0 401.463 4.295 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1OCC ZINC000043118770 848386753 /nfs/dbraw/zinc/38/67/53/848386753.db2.gz QPUMVJZJGLAIOH-HNNXBMFYSA-N 0 0 401.463 4.295 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342687 848411556 /nfs/dbraw/zinc/41/15/56/848411556.db2.gz XJGYEVZYEZNYQM-UHFFFAOYSA-N 0 0 413.865 4.432 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000043531571 848436105 /nfs/dbraw/zinc/43/61/05/848436105.db2.gz VWUMAZWNJLLCFX-SFHVURJKSA-N 0 0 406.460 4.004 20 5 HIBDRN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000043718171 848454171 /nfs/dbraw/zinc/45/41/71/848454171.db2.gz ZGMDRHQJTHPUKO-HXUWFJFHSA-N 0 0 414.893 4.231 20 5 HIBDRN CCn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nnc1-c1ccccc1 ZINC000044029147 848503459 /nfs/dbraw/zinc/50/34/59/848503459.db2.gz NIZAVTNPQBVZIA-UHFFFAOYSA-N 0 0 408.443 4.216 20 5 HIBDRN COc1cc(C(=O)NCC(F)(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000044196972 848527964 /nfs/dbraw/zinc/52/79/64/848527964.db2.gz QQHPEYUERYHQBB-UHFFFAOYSA-N 0 0 404.728 4.341 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])cc1OC ZINC000044693379 848593595 /nfs/dbraw/zinc/59/35/95/848593595.db2.gz IRWYVMWYDRHLGX-CQSZACIVSA-N 0 0 402.447 4.280 20 5 HIBDRN CC(=O)Nc1cccc(Nc2nnc(SCc3ccccc3[N+](=O)[O-])s2)c1 ZINC000045022769 848624418 /nfs/dbraw/zinc/62/44/18/848624418.db2.gz FLQRXAGQYBNNNZ-UHFFFAOYSA-N 0 0 401.473 4.441 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)[C@H](C)c3ccccc3F)cc2)c(C)c1[N+](=O)[O-] ZINC000045193144 848645087 /nfs/dbraw/zinc/64/50/87/848645087.db2.gz VCQXHBWONRQPEO-OAHLLOKOSA-N 0 0 410.449 4.429 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000045397537 848674534 /nfs/dbraw/zinc/67/45/34/848674534.db2.gz AXJNXEWRONTCRK-ZDUSSCGKSA-N 0 0 411.849 4.195 20 5 HIBDRN CC1CCC(N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C2CC2)CC1 ZINC000045415421 848678330 /nfs/dbraw/zinc/67/83/30/848678330.db2.gz RJRPISITOJUJMR-UHFFFAOYSA-N 0 0 415.519 4.058 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccco1)Cc1cccs1 ZINC000045765340 848724679 /nfs/dbraw/zinc/72/46/79/848724679.db2.gz MOEFHLFELYRLFH-UHFFFAOYSA-N 0 0 408.439 4.278 20 5 HIBDRN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc2ccccc2c2cccnc12 ZINC000045767626 848724698 /nfs/dbraw/zinc/72/46/98/848724698.db2.gz WKFLBKYZWAPUII-UHFFFAOYSA-N 0 0 417.490 4.180 20 5 HIBDRN O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc2ccccc2c2cccnc12 ZINC000045768280 848724953 /nfs/dbraw/zinc/72/49/53/848724953.db2.gz VHUBKXOXFALMNP-UHFFFAOYSA-N 0 0 417.490 4.081 20 5 HIBDRN COc1cc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC ZINC000045959993 848758754 /nfs/dbraw/zinc/75/87/54/848758754.db2.gz KODMHWKUVUAFEM-JTQLQIEISA-N 0 0 409.826 4.157 20 5 HIBDRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000046185893 848797992 /nfs/dbraw/zinc/79/79/92/848797992.db2.gz LZNFKZSSDXFIPR-UHFFFAOYSA-N 0 0 413.821 4.035 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(Br)ccc1Br ZINC000046238628 848809801 /nfs/dbraw/zinc/80/98/01/848809801.db2.gz CMPYYPUNYYVCLR-UHFFFAOYSA-N 0 0 414.053 4.301 20 5 HIBDRN COc1cccc(Oc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cn2)c1 ZINC000046305870 848819876 /nfs/dbraw/zinc/81/98/76/848819876.db2.gz FDEZEGFOVABRIG-UHFFFAOYSA-N 0 0 413.817 4.374 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cc1[N+](=O)[O-] ZINC000046313026 848821361 /nfs/dbraw/zinc/82/13/61/848821361.db2.gz CMMMTHUFFBTNMD-UHFFFAOYSA-N 0 0 413.430 4.286 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)ccc1[N+](=O)[O-] ZINC000046313150 848821520 /nfs/dbraw/zinc/82/15/20/848821520.db2.gz ZAUGCLCWTTWQAU-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000046357233 848831788 /nfs/dbraw/zinc/83/17/88/848831788.db2.gz FNFNLWDAGZQOEH-UHFFFAOYSA-N 0 0 404.348 4.295 20 5 HIBDRN COc1ccc(F)cc1[C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000046402433 848841899 /nfs/dbraw/zinc/84/18/99/848841899.db2.gz XKLSQUJAZQIMBK-JTQLQIEISA-N 0 0 416.327 4.175 20 5 HIBDRN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000046479031 848857573 /nfs/dbraw/zinc/85/75/73/848857573.db2.gz UCRUICYWQVQOFN-JTQLQIEISA-N 0 0 404.366 4.070 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000046613371 848887689 /nfs/dbraw/zinc/88/76/89/848887689.db2.gz UXRDGMSQGGYHEH-UHFFFAOYSA-N 0 0 407.426 4.040 20 5 HIBDRN CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3C)n2)cc(Br)c1O ZINC000436766955 861956467 /nfs/dbraw/zinc/95/64/67/861956467.db2.gz FDFYRJQLTGZOPI-UHFFFAOYSA-N 0 0 420.219 4.487 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000046733710 848921306 /nfs/dbraw/zinc/92/13/06/848921306.db2.gz KXNXYSLAMXUQGR-UHFFFAOYSA-N 0 0 407.401 4.476 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(-c2nnco2)c1 ZINC000046793568 848935044 /nfs/dbraw/zinc/93/50/44/848935044.db2.gz LYDYHBHIVJTIAA-UHFFFAOYSA-N 0 0 421.335 4.104 20 5 HIBDRN CCNc1nc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nc2ccccc21 ZINC000046864931 848950300 /nfs/dbraw/zinc/95/03/00/848950300.db2.gz QKXRHYHLDCLZBS-UHFFFAOYSA-N 0 0 408.443 4.312 20 5 HIBDRN COc1cc(CCNC(=O)CCc2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000046902745 848955930 /nfs/dbraw/zinc/95/59/30/848955930.db2.gz POGMBBUFFRYEAL-UHFFFAOYSA-N 0 0 400.475 4.027 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2nccnc2c1 ZINC000047179047 848999079 /nfs/dbraw/zinc/99/90/79/848999079.db2.gz KKMVWZNEIJMQLR-UHFFFAOYSA-N 0 0 408.361 4.288 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)cc1[N+](=O)[O-] ZINC000047323254 849025062 /nfs/dbraw/zinc/02/50/62/849025062.db2.gz CZSVCKYOFAYHAO-UHFFFAOYSA-N 0 0 417.535 4.007 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(Sc2nncs2)cc1 ZINC000047407938 849040986 /nfs/dbraw/zinc/04/09/86/849040986.db2.gz VCKFIIQNPGQHFZ-UHFFFAOYSA-N 0 0 404.498 4.328 20 5 HIBDRN CCN(C(=O)Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000047409424 849042274 /nfs/dbraw/zinc/04/22/74/849042274.db2.gz VQCBCHHCIDGIRS-UHFFFAOYSA-N 0 0 417.465 4.372 20 5 HIBDRN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744387 849103171 /nfs/dbraw/zinc/10/31/71/849103171.db2.gz AUVJFRWRJORNKN-ZWKOTPCHSA-N 0 0 410.518 4.258 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(-c2cnco2)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000047844410 849124802 /nfs/dbraw/zinc/12/48/02/849124802.db2.gz RJRNFKUNUZBXOD-GFCCVEGCSA-N 0 0 406.354 4.218 20 5 HIBDRN CCOCc1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 ZINC000048111219 849169878 /nfs/dbraw/zinc/16/98/78/849169878.db2.gz PXZSTQURFKSYQE-UHFFFAOYSA-N 0 0 412.364 4.002 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000048291501 849204324 /nfs/dbraw/zinc/20/43/24/849204324.db2.gz ODUQGHIZQLANKH-UHFFFAOYSA-N 0 0 412.877 4.354 20 5 HIBDRN COc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1OCc1cccnc1 ZINC000048321631 849207053 /nfs/dbraw/zinc/20/70/53/849207053.db2.gz AKUFCLGLMAICAG-UHFFFAOYSA-N 0 0 418.409 4.311 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000048340138 849208543 /nfs/dbraw/zinc/20/85/43/849208543.db2.gz QLFKJCRUWCUSQI-OAHLLOKOSA-N 0 0 414.458 4.181 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000048842210 849274026 /nfs/dbraw/zinc/27/40/26/849274026.db2.gz SOWIECOXRHGZCC-VIFPVBQESA-N 0 0 414.220 4.165 20 5 HIBDRN COc1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)c(OC)c1OC ZINC000049654219 849319481 /nfs/dbraw/zinc/31/94/81/849319481.db2.gz NMOQMEOGWDRFTH-UHFFFAOYSA-N 0 0 402.450 4.344 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 ZINC000050289877 849367384 /nfs/dbraw/zinc/36/73/84/849367384.db2.gz KDXOCPFMRVCDPR-UHFFFAOYSA-N 0 0 413.455 4.008 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)OCCO2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050296166 849369342 /nfs/dbraw/zinc/36/93/42/849369342.db2.gz HXRKHWLWJKTZNT-UHFFFAOYSA-N 0 0 417.830 4.395 20 5 HIBDRN O=C(Nc1ccc(-c2csnn2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050338209 849374148 /nfs/dbraw/zinc/37/41/48/849374148.db2.gz RVDNMRCVNKDXBD-UHFFFAOYSA-N 0 0 409.452 4.489 20 5 HIBDRN O=C(Nc1cnn(Cc2ccccc2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050588788 849397065 /nfs/dbraw/zinc/39/70/65/849397065.db2.gz BLHKQPDXZYJASD-UHFFFAOYSA-N 0 0 405.439 4.215 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000050627233 849400014 /nfs/dbraw/zinc/40/00/14/849400014.db2.gz RHPRDRCIIVTJBJ-UHFFFAOYSA-N 0 0 411.443 4.112 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(Cc3ccncc3)C3CC3)cc2[N+](=O)[O-])C1 ZINC000050822117 849413644 /nfs/dbraw/zinc/41/36/44/849413644.db2.gz RBPQYQFTTXWVJR-IAGOWNOFSA-N 0 0 408.502 4.277 20 5 HIBDRN CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000050861797 849415393 /nfs/dbraw/zinc/41/53/93/849415393.db2.gz XSMQHJRFZUVJEI-AUSIDOKSSA-N 0 0 407.470 4.176 20 5 HIBDRN Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000436843785 862019273 /nfs/dbraw/zinc/01/92/73/862019273.db2.gz BBAJXCIRUQLOIO-BDJLRTHQSA-N 0 0 412.837 4.043 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(c2ccc(O)cc2)CC1 ZINC000051342043 849460335 /nfs/dbraw/zinc/46/03/35/849460335.db2.gz XOIASVPWXDPRBA-UHFFFAOYSA-N 0 0 409.467 4.444 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nccn2C[C@@H](O)COc2cc(Cl)ccc2Cl)cc1 ZINC000051451909 849471447 /nfs/dbraw/zinc/47/14/47/849471447.db2.gz HNFQRCRVBYNVJB-OAHLLOKOSA-N 0 0 408.241 4.205 20 5 HIBDRN COc1ccccc1NC(=O)C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000051964376 849531099 /nfs/dbraw/zinc/53/10/99/849531099.db2.gz GNSAKBSMJNFLPW-UHFFFAOYSA-N 0 0 406.442 4.007 20 5 HIBDRN CC(=O)c1ccc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c([N+](=O)[O-])c1 ZINC000052162769 849556745 /nfs/dbraw/zinc/55/67/45/849556745.db2.gz NFBXMZKELBFLLI-UHFFFAOYSA-N 0 0 408.380 4.292 20 5 HIBDRN CS(=O)(=O)c1ccc(N2CCC[C@@H]2Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000052430825 849581604 /nfs/dbraw/zinc/58/16/04/849581604.db2.gz QODYZKIJTQKQGJ-GFCCVEGCSA-N 0 0 412.870 4.002 20 5 HIBDRN Cc1cc(N2CCCC2)ccc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000052959020 849650454 /nfs/dbraw/zinc/65/04/54/849650454.db2.gz PAUALYFTRHBPIB-UHFFFAOYSA-N 0 0 405.458 4.156 20 5 HIBDRN Cc1sc2nc(C)nc(SCC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2c1C ZINC000053241487 849684711 /nfs/dbraw/zinc/68/47/11/849684711.db2.gz WPOIHLFMHKFSSE-NSHDSACASA-N 0 0 416.528 4.494 20 5 HIBDRN COc1cc(CCNC(=O)N(C)Cc2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000053505483 849722346 /nfs/dbraw/zinc/72/23/46/849722346.db2.gz DHFKXSAPCNAGGS-UHFFFAOYSA-N 0 0 415.490 4.120 20 5 HIBDRN C[C@@H](c1ccccc1)n1cnnc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000053840932 849765686 /nfs/dbraw/zinc/76/56/86/849765686.db2.gz YFXWTFDEUUJEGY-ZDUSSCGKSA-N 0 0 408.443 4.138 20 5 HIBDRN COC1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000053884571 849771870 /nfs/dbraw/zinc/77/18/70/849771870.db2.gz XTECNPICDDDXMP-UHFFFAOYSA-N 0 0 403.866 4.111 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000054005450 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XLCZMYVWBZCRTB-UHFFFAOYSA-N 0 0 415.500 4.103 20 5 HIBDRN CC(=O)Nc1cccc2c1CCCN2[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000054367942 849852947 /nfs/dbraw/zinc/85/29/47/849852947.db2.gz FYUHHWCKHVOFFS-CYBMUJFWSA-N 0 0 407.430 4.117 20 5 HIBDRN CCc1cc(NCc2ccc(N3CCCC3)nc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389832 849857984 /nfs/dbraw/zinc/85/79/84/849857984.db2.gz QENAHUATZMQMPA-UHFFFAOYSA-N 0 0 404.474 4.222 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000054666752 849902046 /nfs/dbraw/zinc/90/20/46/849902046.db2.gz ORELGLPOSFLBHJ-GOSISDBHSA-N 0 0 408.458 4.248 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000054670809 849903473 /nfs/dbraw/zinc/90/34/73/849903473.db2.gz DKNGURMVXYTRBA-UHFFFAOYSA-N 0 0 402.790 4.450 20 5 HIBDRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000054677707 849905648 /nfs/dbraw/zinc/90/56/48/849905648.db2.gz YFINWHVSAKFGQP-UHFFFAOYSA-N 0 0 417.425 4.287 20 5 HIBDRN COc1ccc(OC)c([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000054886889 849937208 /nfs/dbraw/zinc/93/72/08/849937208.db2.gz SOPXYVDQSPKPTA-MRXNPFEDSA-N 0 0 416.477 4.049 20 5 HIBDRN Cc1cccc(OCc2nnc(SCCCOc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000054899314 849938785 /nfs/dbraw/zinc/93/87/85/849938785.db2.gz GYGCQNZZGJHOMI-UHFFFAOYSA-N 0 0 401.444 4.426 20 5 HIBDRN CC(=O)Nc1c(C)ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000055156376 849979108 /nfs/dbraw/zinc/97/91/08/849979108.db2.gz XOUPHUYNLKVYSB-LBPRGKRZSA-N 0 0 404.854 4.263 20 5 HIBDRN Cc1nc2cc(F)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)c2nc1C ZINC000055363151 850006827 /nfs/dbraw/zinc/00/68/27/850006827.db2.gz LQQDTSUPGURWOH-UHFFFAOYSA-N 0 0 406.320 4.148 20 5 HIBDRN Cc1sc(CNC(=O)COc2ccccc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000055426743 850020773 /nfs/dbraw/zinc/02/07/73/850020773.db2.gz LMBPNEDCTTXGMF-UHFFFAOYSA-N 0 0 417.874 4.375 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCOc2c(Cl)cccc21 ZINC000055457132 850029604 /nfs/dbraw/zinc/02/96/04/850029604.db2.gz PDUXDIBOZYXTSC-IBGZPJMESA-N 0 0 418.880 4.448 20 5 HIBDRN COc1ccc(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)cc1[N+](=O)[O-] ZINC000055579801 850060569 /nfs/dbraw/zinc/06/05/69/850060569.db2.gz OLFQIUURLFZPJY-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN COc1ccc(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000055645718 850089616 /nfs/dbraw/zinc/08/96/16/850089616.db2.gz HXXOZKSHLXMQPB-OAHLLOKOSA-N 0 0 407.426 4.068 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000055654129 850099217 /nfs/dbraw/zinc/09/92/17/850099217.db2.gz AGGKPIMQBFQHOI-QGZVFWFLSA-N 0 0 411.458 4.288 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H]3CCc4cc(C)ccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000055659082 850101366 /nfs/dbraw/zinc/10/13/66/850101366.db2.gz OPJPWLUSCIDXQY-NRFANRHFSA-N 0 0 404.470 4.182 20 5 HIBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000055730966 850128168 /nfs/dbraw/zinc/12/81/68/850128168.db2.gz QKZFAFMJAMIFAW-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN O=C(CCc1nc2ccccc2n1-c1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000055797984 850156271 /nfs/dbraw/zinc/15/62/71/850156271.db2.gz MAPWKBAKBHHNRC-UHFFFAOYSA-N 0 0 400.438 4.183 20 5 HIBDRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)c2)cc1 ZINC000055802947 850157617 /nfs/dbraw/zinc/15/76/17/850157617.db2.gz IWGCTWXWDKHEDX-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN COc1ccc(NC(=O)CNc2ccccc2COc2ccccc2)c([N+](=O)[O-])c1 ZINC000055896275 850198981 /nfs/dbraw/zinc/19/89/81/850198981.db2.gz ZGWPORMEGMSDLE-UHFFFAOYSA-N 0 0 407.426 4.233 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000055941353 850210558 /nfs/dbraw/zinc/21/05/58/850210558.db2.gz ROAITIMKAGGNAP-AWEZNQCLSA-N 0 0 407.401 4.477 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)Nc2ccc3nccnc3c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000056077247 850238806 /nfs/dbraw/zinc/23/88/06/850238806.db2.gz TYYQNIFPBKQRPV-CQSZACIVSA-N 0 0 414.425 4.358 20 5 HIBDRN CCOc1ccccc1NC(=O)[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000056178346 850273178 /nfs/dbraw/zinc/27/31/78/850273178.db2.gz RHCRFSJNCXOJDM-QFIPXVFZSA-N 0 0 405.454 4.463 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)c3ccc(F)c(F)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000056226530 850291349 /nfs/dbraw/zinc/29/13/49/850291349.db2.gz WERFNUHBVJVFKU-UHFFFAOYSA-N 0 0 400.385 4.011 20 5 HIBDRN CNc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000056274512 850306577 /nfs/dbraw/zinc/30/65/77/850306577.db2.gz ABVCTHWFCMVSAJ-CQSZACIVSA-N 0 0 405.838 4.100 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3ccccc3C)CCOCC2)c1 ZINC000056364737 850336696 /nfs/dbraw/zinc/33/66/96/850336696.db2.gz ZAVKVDJZRXFPPL-UHFFFAOYSA-N 0 0 400.500 4.103 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000056380047 850341303 /nfs/dbraw/zinc/34/13/03/850341303.db2.gz LPBWQLSKROGELW-UHFFFAOYSA-N 0 0 403.391 4.030 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000056517254 850381838 /nfs/dbraw/zinc/38/18/38/850381838.db2.gz FZZDNXKWCGCATN-UHFFFAOYSA-N 0 0 415.247 4.429 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000056545887 850388878 /nfs/dbraw/zinc/38/88/78/850388878.db2.gz ROKLGEJICLWMHC-SFHVURJKSA-N 0 0 403.822 4.292 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000056949358 850522213 /nfs/dbraw/zinc/52/22/13/850522213.db2.gz XERNZCSCLPALAR-UHFFFAOYSA-N 0 0 417.893 4.138 20 5 HIBDRN C[C@@H](NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000056949423 850522244 /nfs/dbraw/zinc/52/22/44/850522244.db2.gz ZVTIRQJHCZBKSC-OAHLLOKOSA-N 0 0 417.893 4.357 20 5 HIBDRN COc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1OCc1cccnc1 ZINC000056950687 850522261 /nfs/dbraw/zinc/52/22/61/850522261.db2.gz FBUAOOYBYASCIL-UHFFFAOYSA-N 0 0 418.409 4.311 20 5 HIBDRN C[C@H](Cn1cccn1)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000057108906 850548838 /nfs/dbraw/zinc/54/88/38/850548838.db2.gz XXQOKTKSLVWQOM-CYBMUJFWSA-N 0 0 400.822 4.056 20 5 HIBDRN Cc1cccc(NC(=O)CSCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000057363165 850616447 /nfs/dbraw/zinc/61/64/47/850616447.db2.gz FJEGLZMAEMMITJ-UHFFFAOYSA-N 0 0 415.515 4.012 20 5 HIBDRN C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1 ZINC000058186337 850778524 /nfs/dbraw/zinc/77/85/24/850778524.db2.gz DNRDJYKRJBSIEC-LBPRGKRZSA-N 0 0 415.247 4.034 20 5 HIBDRN CCOc1cc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)ccc1OC(F)F ZINC000058461684 850831722 /nfs/dbraw/zinc/83/17/22/850831722.db2.gz XKXWFENHQOEPQX-UHFFFAOYSA-N 0 0 405.357 4.006 20 5 HIBDRN CCCNC(=O)c1cccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000058949866 850965311 /nfs/dbraw/zinc/96/53/11/850965311.db2.gz IERSLLHKRLKKEE-INIZCTEOSA-N 0 0 424.501 4.223 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000059118611 850984927 /nfs/dbraw/zinc/98/49/27/850984927.db2.gz NEISACWRRXUWOQ-ZDUSSCGKSA-N 0 0 401.488 4.231 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000059289335 850992921 /nfs/dbraw/zinc/99/29/21/850992921.db2.gz SKQWMDPOEABCKA-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Br)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000059328962 850997076 /nfs/dbraw/zinc/99/70/76/850997076.db2.gz NCACZRGPLGQFGW-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000059334160 850998426 /nfs/dbraw/zinc/99/84/26/850998426.db2.gz GQWZYASPQXARJA-ZDUSSCGKSA-N 0 0 403.866 4.421 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000059334163 850998629 /nfs/dbraw/zinc/99/86/29/850998629.db2.gz GQWZYASPQXARJA-CYBMUJFWSA-N 0 0 403.866 4.421 20 5 HIBDRN COc1ccc2c(C)cc3nnc(SCCOc4ccccc4[N+](=O)[O-])n3c2c1 ZINC000059406192 851004904 /nfs/dbraw/zinc/00/49/04/851004904.db2.gz HMYFLZNHJHOLKF-UHFFFAOYSA-N 0 0 410.455 4.279 20 5 HIBDRN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)c1ccc(Oc2ccccc2)cc1 ZINC000059740931 851009272 /nfs/dbraw/zinc/00/92/72/851009272.db2.gz DCIMGQDOERWQDJ-UHFFFAOYSA-N 0 0 402.204 4.229 20 5 HIBDRN O=[N+]([O-])c1ccc(OCCCSc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000059738411 851009387 /nfs/dbraw/zinc/00/93/87/851009387.db2.gz UXOMTTXNXKZEOQ-UHFFFAOYSA-N 0 0 407.455 4.285 20 5 HIBDRN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cc([N+](=O)[O-])ccc1F ZINC000059742130 851009439 /nfs/dbraw/zinc/00/94/39/851009439.db2.gz FHKNXBWIUKKCTE-UHFFFAOYSA-N 0 0 404.785 4.399 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000059780413 851012763 /nfs/dbraw/zinc/01/27/63/851012763.db2.gz CSFCVIURAXHDDS-UHFFFAOYSA-N 0 0 424.501 4.366 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483420 851115264 /nfs/dbraw/zinc/11/52/64/851115264.db2.gz ZEUBBIZMLVUTAC-CQSZACIVSA-N 0 0 415.877 4.170 20 5 HIBDRN Cc1ccc(OC2CCN(S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])CC2)cc1C ZINC000060505742 851125660 /nfs/dbraw/zinc/12/56/60/851125660.db2.gz WGJRUVYADDGKEB-UHFFFAOYSA-N 0 0 418.515 4.061 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000060514484 851129671 /nfs/dbraw/zinc/12/96/71/851129671.db2.gz URWKDZBRAVIRII-UHFFFAOYSA-N 0 0 414.849 4.371 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000060684539 851187991 /nfs/dbraw/zinc/18/79/91/851187991.db2.gz KWKRXNXJJUFHJK-UHFFFAOYSA-N 0 0 415.449 4.311 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N2CC=C(c3cccc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000060684538 851188147 /nfs/dbraw/zinc/18/81/47/851188147.db2.gz LEZNWUXYHCGFGL-UHFFFAOYSA-N 0 0 415.449 4.311 20 5 HIBDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437030361 862215333 /nfs/dbraw/zinc/21/53/33/862215333.db2.gz FGOXUTAONNPGEZ-DNMZCBJRSA-N 0 0 414.405 4.184 20 5 HIBDRN Cc1cc(N[C@H](c2nccn2C)c2ccc(F)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858520 851232959 /nfs/dbraw/zinc/23/29/59/851232959.db2.gz PQFRXNZUCPABTP-FQEVSTJZSA-N 0 0 418.432 4.434 20 5 HIBDRN Cc1ccc(OCc2nc(CN3CCN(c4cccc([N+](=O)[O-])c4)CC3)cs2)cc1 ZINC000061019862 851274475 /nfs/dbraw/zinc/27/44/75/851274475.db2.gz ZQRSJYONYWVCPO-UHFFFAOYSA-N 0 0 424.526 4.261 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)Cn1cccn1 ZINC000061019453 851275014 /nfs/dbraw/zinc/27/50/14/851275014.db2.gz QIWCJUCOSIVRJK-AWEZNQCLSA-N 0 0 414.849 4.303 20 5 HIBDRN O=C(Nc1cccc(OC2CCCC2)c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000437038092 862227055 /nfs/dbraw/zinc/22/70/55/862227055.db2.gz DHJZFLAZCLLWCB-UHFFFAOYSA-N 0 0 423.469 4.046 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(c1cccc(C(F)(F)F)c1)[C@@H](C)C1CC1 ZINC000061162140 851307583 /nfs/dbraw/zinc/30/75/83/851307583.db2.gz QPJULYMBADZGAO-LBPRGKRZSA-N 0 0 410.396 4.340 20 5 HIBDRN CCCc1ccc([C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000061225640 851321633 /nfs/dbraw/zinc/32/16/33/851321633.db2.gz YTAXDFHITIQDMH-NRFANRHFSA-N 0 0 407.474 4.255 20 5 HIBDRN CC[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F 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407.474 4.145 20 5 HIBDRN CC1CCN(c2nnc(Sc3ccc([N+](=O)[O-])c4cnccc34)n2C2CC2)CC1 ZINC000071838339 852415725 /nfs/dbraw/zinc/41/57/25/852415725.db2.gz WKVUMQUKPIGHLJ-UHFFFAOYSA-N 0 0 410.503 4.457 20 5 HIBDRN COC(=O)/C=C/c1ccc(Sc2nc(C3CC3)n(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000071844764 852416538 /nfs/dbraw/zinc/41/65/38/852416538.db2.gz CFQUQCYVCAGOKH-XYOKQWHBSA-N 0 0 422.466 4.390 20 5 HIBDRN COC(=O)/C=C/c1ccc(Sc2nnc(C3CC3)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000071844771 852416810 /nfs/dbraw/zinc/41/68/10/852416810.db2.gz SPDBSDBMFZZDKW-XYOKQWHBSA-N 0 0 422.466 4.390 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000071880048 852423951 /nfs/dbraw/zinc/42/39/51/852423951.db2.gz UHLFBVWHWMSEBN-MRXNPFEDSA-N 0 0 408.241 4.145 20 5 HIBDRN Cc1c(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000071891896 852425149 /nfs/dbraw/zinc/42/51/49/852425149.db2.gz SSTXPWSBLXKWKX-UHFFFAOYSA-N 0 0 420.353 4.465 20 5 HIBDRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000071892184 852426327 /nfs/dbraw/zinc/42/63/27/852426327.db2.gz PJIRNEZQEGCSLI-GOSISDBHSA-N 0 0 408.285 4.469 20 5 HIBDRN COc1ccccc1-c1csc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 ZINC000071892266 852426717 /nfs/dbraw/zinc/42/67/17/852426717.db2.gz HOJKPZXMJFZZHD-UHFFFAOYSA-N 0 0 414.399 4.196 20 5 HIBDRN CN(CCOc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000071942886 852440601 /nfs/dbraw/zinc/44/06/01/852440601.db2.gz GPJISKHJPIUXJF-UHFFFAOYSA-N 0 0 415.780 4.392 20 5 HIBDRN CN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000071950623 852442779 /nfs/dbraw/zinc/44/27/79/852442779.db2.gz UMUFXQLOAAUDOG-UHFFFAOYSA-N 0 0 415.799 4.380 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1[N+](=O)[O-] ZINC000071963149 852448291 /nfs/dbraw/zinc/44/82/91/852448291.db2.gz XQKGEMSAPMNNDF-UHFFFAOYSA-N 0 0 402.410 4.479 20 5 HIBDRN CCOc1cc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])ccc1OC(F)F ZINC000071968304 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LNHKMBMMYVRGRS-KRWDZBQOSA-N 0 0 419.890 4.019 20 5 HIBDRN CCc1cc(=O)oc2cc(Oc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])ccc12 ZINC000078987773 852536758 /nfs/dbraw/zinc/53/67/58/852536758.db2.gz RSVXPPJUVQEJRD-UHFFFAOYSA-N 0 0 419.393 4.020 20 5 HIBDRN CCn1cnnc1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000097218070 852590770 /nfs/dbraw/zinc/59/07/70/852590770.db2.gz VZRVTXFJSFTAJE-UHFFFAOYSA-N 0 0 420.473 4.116 20 5 HIBDRN CCOc1cc(NC(=O)c2cc(C)n(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC ZINC000097366056 852606046 /nfs/dbraw/zinc/60/60/46/852606046.db2.gz NZEIITQCPARKJW-UHFFFAOYSA-N 0 0 410.430 4.139 20 5 HIBDRN CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000097553874 852630452 /nfs/dbraw/zinc/63/04/52/852630452.db2.gz ISNSDDLUYPZKRX-CYBMUJFWSA-N 0 0 411.886 4.015 20 5 HIBDRN C[C@H](O)CNC(=O)c1cccc(Oc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000097577270 852638207 /nfs/dbraw/zinc/63/82/07/852638207.db2.gz IVDKFVPWTBEUJC-VIFPVBQESA-N 0 0 418.755 4.170 20 5 HIBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCO[C@H](c2ccccc2Cl)C1 ZINC000097596922 852642239 /nfs/dbraw/zinc/64/22/39/852642239.db2.gz YRLLEUXDENZISN-KRWDZBQOSA-N 0 0 408.813 4.142 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000104961470 852685475 /nfs/dbraw/zinc/68/54/75/852685475.db2.gz NQRCHEMUVRJKQW-LJQANCHMSA-N 0 0 406.442 4.157 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000105120209 852690989 /nfs/dbraw/zinc/69/09/89/852690989.db2.gz CYVGNCDFRRQMJZ-UHFFFAOYSA-N 0 0 421.428 4.378 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F ZINC000105328567 852699410 /nfs/dbraw/zinc/69/94/10/852699410.db2.gz MRZHGCRZOLXAJT-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN O=C(Nc1ccccc1-c1cccs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000105355218 852700295 /nfs/dbraw/zinc/70/02/95/852700295.db2.gz JQUQBOQHUWLGAD-UHFFFAOYSA-N 0 0 409.467 4.412 20 5 HIBDRN COc1ccc(OC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c([N+](=O)[O-])c1 ZINC000105396679 852703387 /nfs/dbraw/zinc/70/33/87/852703387.db2.gz AABIXVKJYHZQRY-UHFFFAOYSA-N 0 0 422.397 4.408 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)Cc3cnn(-c4ccccc4)c3)n2)cc1[N+](=O)[O-] ZINC000105554176 852712658 /nfs/dbraw/zinc/71/26/58/852712658.db2.gz UQYLWCJZXBIWSK-UHFFFAOYSA-N 0 0 419.466 4.394 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2cccc(Br)c2)n1 ZINC000106103887 852754097 /nfs/dbraw/zinc/75/40/97/852754097.db2.gz DRQXHNSODAECLP-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3ccnn3-c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000437198953 862389773 /nfs/dbraw/zinc/38/97/73/862389773.db2.gz PIUKVBBEBQRQFE-UHFFFAOYSA-N 0 0 405.458 4.269 20 5 HIBDRN Cc1c(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000106303553 852769110 /nfs/dbraw/zinc/76/91/10/852769110.db2.gz JEAITZQUJNFXSH-LJQANCHMSA-N 0 0 407.474 4.391 20 5 HIBDRN COCCN(CCCc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437199681 862391527 /nfs/dbraw/zinc/39/15/27/862391527.db2.gz 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COc1cc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c([N+](=O)[O-])cc1OC ZINC000108315952 852838376 /nfs/dbraw/zinc/83/83/76/852838376.db2.gz ZFOCHTYRJMAYFU-UHFFFAOYSA-N 0 0 422.441 4.064 20 5 HIBDRN CCC(CC)[C@@H](NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)c1cccs1 ZINC000108390547 852845248 /nfs/dbraw/zinc/84/52/48/852845248.db2.gz UUPDFXCDULLLOJ-LJQANCHMSA-N 0 0 413.503 4.453 20 5 HIBDRN C[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000108415812 852847867 /nfs/dbraw/zinc/84/78/67/852847867.db2.gz RIPMGCFXAQMTSB-CXAGYDPISA-N 0 0 419.865 4.245 20 5 HIBDRN CCCOc1cc(NC(=O)c2cccc3c2OCO3)c([N+](=O)[O-])cc1OCCC ZINC000108621538 852865523 /nfs/dbraw/zinc/86/55/23/852865523.db2.gz ZOHIHSUXLKTVRR-UHFFFAOYSA-N 0 0 402.403 4.153 20 5 HIBDRN CCOc1ccc([C@@H]2C[C@H]2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000437214025 862403052 /nfs/dbraw/zinc/40/30/52/862403052.db2.gz GHRCWKTVUWDCIO-FCHUYYIVSA-N 0 0 412.489 4.226 20 5 HIBDRN COCc1ccccc1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 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O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cc(Cl)ccc1OC(F)F ZINC000140413684 853444036 /nfs/dbraw/zinc/44/40/36/853444036.db2.gz OKSOKDJUFYJQKM-UHFFFAOYSA-N 0 0 407.760 4.122 20 5 HIBDRN COc1ccc(OC(F)F)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000140894125 853456115 /nfs/dbraw/zinc/45/61/15/853456115.db2.gz HHMWOIMUYSMZHT-VIFPVBQESA-N 0 0 416.764 4.264 20 5 HIBDRN CCCC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1C ZINC000142921284 853504519 /nfs/dbraw/zinc/50/45/19/853504519.db2.gz FRYFMOLCWBEQNL-UHFFFAOYSA-N 0 0 407.430 4.080 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nnc(C(F)F)s3)cc2[N+](=O)[O-])C1 ZINC000144486956 853535661 /nfs/dbraw/zinc/53/56/61/853535661.db2.gz VNYPTPGZHVVJGQ-AOOOYVTPSA-N 0 0 411.434 4.119 20 5 HIBDRN COCc1ccc(CNC(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000145267577 853548141 /nfs/dbraw/zinc/54/81/41/853548141.db2.gz OOYKBBYDNSQGCT-UHFFFAOYSA-N 0 0 406.438 4.103 20 5 HIBDRN Cc1cc(Br)ccc1N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146198619 853565740 /nfs/dbraw/zinc/56/57/40/853565740.db2.gz UBKHRGSPZCZWAK-UHFFFAOYSA-N 0 0 419.684 4.144 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000147018970 853581029 /nfs/dbraw/zinc/58/10/29/853581029.db2.gz UDSPZBOLVVKJMX-NRFANRHFSA-N 0 0 412.467 4.258 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c1 ZINC000147376583 853587255 /nfs/dbraw/zinc/58/72/55/853587255.db2.gz GZVFBCAPTPMEJN-OAHLLOKOSA-N 0 0 407.426 4.068 20 5 HIBDRN Cc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1 ZINC000148216967 853603997 /nfs/dbraw/zinc/60/39/97/853603997.db2.gz DDBZAVIPDUSKPM-OAQYLSRUSA-N 0 0 416.437 4.199 20 5 HIBDRN CCCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000437256210 862483626 /nfs/dbraw/zinc/48/36/26/862483626.db2.gz DVVWFDWFQOMOJJ-ZDUSSCGKSA-N 0 0 423.391 4.493 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000149625227 853627331 /nfs/dbraw/zinc/62/73/31/853627331.db2.gz 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Cc1sc(NC(=O)c2ccc(-n3cccn3)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000195703961 853769493 /nfs/dbraw/zinc/76/94/93/853769493.db2.gz URCUVSQXCYYTHS-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000195711464 853773831 /nfs/dbraw/zinc/77/38/31/853773831.db2.gz LQFRISGMWCIUMY-UHFFFAOYSA-N 0 0 401.419 4.104 20 5 HIBDRN O=C(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000195717628 853776684 /nfs/dbraw/zinc/77/66/84/853776684.db2.gz LISLYWSHJGWROC-ZDUSSCGKSA-N 0 0 419.466 4.452 20 5 HIBDRN Cc1c(C(=O)Nc2ccc3nc(C4CC4)sc3c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000195734088 853784879 /nfs/dbraw/zinc/78/48/79/853784879.db2.gz WPCHQTXDYIYZMK-UHFFFAOYSA-N 0 0 420.454 4.223 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H](C)c1ccccc1Br ZINC000195733200 853785059 /nfs/dbraw/zinc/78/50/59/853785059.db2.gz FVKSTJLPKSKBQY-GFCCVEGCSA-N 0 0 413.293 4.047 20 5 HIBDRN Cc1cc(C(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)cc([N+](=O)[O-])c1 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CC(=O)c1ccc(N2CCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)c(F)c1 ZINC000302014680 854516300 /nfs/dbraw/zinc/51/63/00/854516300.db2.gz LFLNPDRONKCQGR-UHFFFAOYSA-N 0 0 408.433 4.120 20 5 HIBDRN Cc1cc(N2CCC(NC(=O)Nc3ccccc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302032249 854518711 /nfs/dbraw/zinc/51/87/11/854518711.db2.gz SOBJIXIGKLRMFV-UHFFFAOYSA-N 0 0 405.458 4.242 20 5 HIBDRN Cc1ccc(C(=O)NC2CCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)s1 ZINC000302034713 854519712 /nfs/dbraw/zinc/51/97/12/854519712.db2.gz UCZGVJZFNPUCPB-UHFFFAOYSA-N 0 0 410.499 4.220 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1OC(F)F ZINC000302058482 854523516 /nfs/dbraw/zinc/52/35/16/854523516.db2.gz RCNMYKIHSCMYSI-CQSZACIVSA-N 0 0 415.400 4.365 20 5 HIBDRN COc1cc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000302057381 854523651 /nfs/dbraw/zinc/52/36/51/854523651.db2.gz RDIIEPIRVYTKPK-KRWDZBQOSA-N 0 0 400.328 4.339 20 5 HIBDRN Cc1ccc(Cl)c2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 ZINC000302071350 854526406 /nfs/dbraw/zinc/52/64/06/854526406.db2.gz UONYCXDOIUHZTF-UHFFFAOYSA-N 0 0 410.861 4.067 20 5 HIBDRN CCOc1cccc(N2CCO[C@H](c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000302126482 854533820 /nfs/dbraw/zinc/53/38/20/854533820.db2.gz WOPCQTVESHXACQ-KRWDZBQOSA-N 0 0 407.264 4.334 20 5 HIBDRN COc1ccccc1[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000302138691 854535891 /nfs/dbraw/zinc/53/58/91/854535891.db2.gz DUBRSTZKEXTQLQ-GOSISDBHSA-N 0 0 418.496 4.270 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccc(F)cc3)C2)nc1OCc1ccccc1 ZINC000302170390 854541778 /nfs/dbraw/zinc/54/17/78/854541778.db2.gz LTPKPOBOLHFAGV-FQEVSTJZSA-N 0 0 409.417 4.286 20 5 HIBDRN Cc1cccc2nc(CNc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)n(C)c21 ZINC000302173730 854542621 /nfs/dbraw/zinc/54/26/21/854542621.db2.gz NJMRELSKVGJUAL-UHFFFAOYSA-N 0 0 403.442 4.376 20 5 HIBDRN O=[N+]([O-])c1cnc(N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)nc1 ZINC000302214324 854551667 /nfs/dbraw/zinc/55/16/67/854551667.db2.gz IJESHTYQPINCGI-MRXNPFEDSA-N 0 0 403.211 4.488 20 5 HIBDRN CCOc1cccc(N2CCO[C@@H](c3ccccc3Br)C2)c1[N+](=O)[O-] ZINC000302229849 854553601 /nfs/dbraw/zinc/55/36/01/854553601.db2.gz RNOVKZBMQPRINW-QGZVFWFLSA-N 0 0 407.264 4.334 20 5 HIBDRN CCOc1c(Cl)cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1OC ZINC000302369843 854564697 /nfs/dbraw/zinc/56/46/97/854564697.db2.gz LZBTVDCYRUPGDF-UHFFFAOYSA-N 0 0 416.821 4.298 20 5 HIBDRN Cc1cccc2ncnc(Oc3ccc(I)cc3[N+](=O)[O-])c12 ZINC000302407804 854569735 /nfs/dbraw/zinc/56/97/35/854569735.db2.gz HWJWXKNBVRJISJ-UHFFFAOYSA-N 0 0 407.167 4.243 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(Oc2ccc(I)cc2[N+](=O)[O-])c(F)c1 ZINC000302444613 854572289 /nfs/dbraw/zinc/57/22/89/854572289.db2.gz MPGYLJVUHRYSTK-UHFFFAOYSA-N 0 0 422.081 4.178 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c(Br)c1 ZINC000302456129 854573051 /nfs/dbraw/zinc/57/30/51/854573051.db2.gz UMJXOIWDUQICRW-CQSZACIVSA-N 0 0 416.634 4.123 20 5 HIBDRN COC(=O)c1cnc(N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c([N+](=O)[O-])c1 ZINC000302656362 854598431 /nfs/dbraw/zinc/59/84/31/854598431.db2.gz ADBDNCBZQWZMAL-HNNXBMFYSA-N 0 0 423.473 4.091 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000302665351 854600829 /nfs/dbraw/zinc/60/08/29/854600829.db2.gz PYXVNRLEKXQGFP-FQEVSTJZSA-N 0 0 408.479 4.150 20 5 HIBDRN Cc1cc(N2CCC(Nc3cc(C)c([N+](=O)[O-])cc3Br)CC2)nc(C)n1 ZINC000302697196 854607261 /nfs/dbraw/zinc/60/72/61/854607261.db2.gz TUOCWVMFQHYXIP-UHFFFAOYSA-N 0 0 420.311 4.153 20 5 HIBDRN C[C@@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000302701988 854608341 /nfs/dbraw/zinc/60/83/41/854608341.db2.gz XPNJRQHTBVVZPV-GLEZIHRCSA-N 0 0 403.288 4.195 20 5 HIBDRN CC(C)c1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)ccc21 ZINC000302729699 854614594 /nfs/dbraw/zinc/61/45/94/854614594.db2.gz UZVRRSKLNZPDOE-UHFFFAOYSA-N 0 0 403.412 4.020 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000302767796 854628238 /nfs/dbraw/zinc/62/82/38/854628238.db2.gz LVKJHTFQMOCFOK-UHFFFAOYSA-N 0 0 417.849 4.140 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000302772810 854630038 /nfs/dbraw/zinc/63/00/38/854630038.db2.gz NMWLMYRNHOCLSO-GASCZTMLSA-N 0 0 417.893 4.418 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3nc(-c4cc(Cl)cc(Cl)c4)no3)C2)nc1 ZINC000302773100 854630111 /nfs/dbraw/zinc/63/01/11/854630111.db2.gz DCEHNUPKGGXVFA-CYBMUJFWSA-N 0 0 421.244 4.037 20 5 HIBDRN Cc1ccnc(Oc2ccc(Oc3ncc(Br)cn3)cc2)c1[N+](=O)[O-] ZINC000302788577 854633553 /nfs/dbraw/zinc/63/35/53/854633553.db2.gz XLKYXQBUYRCNGK-UHFFFAOYSA-N 0 0 403.192 4.435 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000302802813 854638643 /nfs/dbraw/zinc/63/86/43/854638643.db2.gz DEPDBGFBEIJXPY-UHFFFAOYSA-N 0 0 421.832 4.144 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000302826311 854646246 /nfs/dbraw/zinc/64/62/46/854646246.db2.gz MVNKFXLPGWHVFW-UHFFFAOYSA-N 0 0 405.857 4.229 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1N1CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C1)CCN2 ZINC000302893022 854668055 /nfs/dbraw/zinc/66/80/55/854668055.db2.gz QEPXPJZOBZHNFI-CQSZACIVSA-N 0 0 409.421 4.136 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1NCc1cn(-c3ccccc3)nc1-c1ccncc1)CCN2 ZINC000302890165 854668462 /nfs/dbraw/zinc/66/84/62/854668462.db2.gz PHOXYKAOUJFGGY-UHFFFAOYSA-N 0 0 412.453 4.423 20 5 HIBDRN CCc1ccc(C(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000437325087 862592186 /nfs/dbraw/zinc/59/21/86/862592186.db2.gz QJWXBIIWSAOFHS-OPAMFIHVSA-N 0 0 412.486 4.212 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n(-c2ccccc2F)n1 ZINC000302925227 854683143 /nfs/dbraw/zinc/68/31/43/854683143.db2.gz BEMNOMDXCSWBQG-CYBMUJFWSA-N 0 0 400.435 4.347 20 5 HIBDRN Cc1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)ccc1Br ZINC000302941408 854689776 /nfs/dbraw/zinc/68/97/76/854689776.db2.gz LIGASZVBQOIGOS-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1ccccc1NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000302971741 854703639 /nfs/dbraw/zinc/70/36/39/854703639.db2.gz REWAYPNYEXTDCR-UHFFFAOYSA-N 0 0 403.438 4.453 20 5 HIBDRN O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303028357 854730229 /nfs/dbraw/zinc/73/02/29/854730229.db2.gz SVKNYBDZNUQWKH-UHFFFAOYSA-N 0 0 413.846 4.424 20 5 HIBDRN Cc1cc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000303035089 854733409 /nfs/dbraw/zinc/73/34/09/854733409.db2.gz OVIUMBSZYHORNR-UHFFFAOYSA-N 0 0 400.438 4.231 20 5 HIBDRN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437328915 862599393 /nfs/dbraw/zinc/59/93/93/862599393.db2.gz NVHFSNISWGUPJJ-VBKZILBWSA-N 0 0 418.877 4.303 20 5 HIBDRN COc1ccc(NC(=O)CN2Cc3ccccc3-c3ccccc3C2)c([N+](=O)[O-])c1 ZINC000303154705 854789718 /nfs/dbraw/zinc/78/97/18/854789718.db2.gz OFGZYQWQTRRTEJ-UHFFFAOYSA-N 0 0 403.438 4.225 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000303157263 854791314 /nfs/dbraw/zinc/79/13/14/854791314.db2.gz GZKQNCRKTQMSEM-GOSISDBHSA-N 0 0 413.499 4.046 20 5 HIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000303173126 854800206 /nfs/dbraw/zinc/80/02/06/854800206.db2.gz RLRSYVZRPWFUHB-UHFFFAOYSA-N 0 0 408.805 4.281 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303226515 854825885 /nfs/dbraw/zinc/82/58/85/854825885.db2.gz WLZDAOGVHSXRTH-LSDHHAIUSA-N 0 0 420.296 4.354 20 5 HIBDRN Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cc([N+](=O)[O-])ccc2OC(C)C)o1 ZINC000303238719 854831008 /nfs/dbraw/zinc/83/10/08/854831008.db2.gz IASMBWVFZQWCJQ-HXUWFJFHSA-N 0 0 408.458 4.373 20 5 HIBDRN CCCO[C@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000303278980 854848409 /nfs/dbraw/zinc/84/84/09/854848409.db2.gz JOGWGJIVMSAUNP-NSHGMRRFSA-N 0 0 417.550 4.498 20 5 HIBDRN CCCO[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000303278984 854848606 /nfs/dbraw/zinc/84/86/06/854848606.db2.gz JOGWGJIVMSAUNP-WSTZPKSXSA-N 0 0 417.550 4.498 20 5 HIBDRN CCOc1ccc(-c2noc(CSCc3cc([N+](=O)[O-])ccc3OC)n2)cc1 ZINC000303332349 854877127 /nfs/dbraw/zinc/87/71/27/854877127.db2.gz XDIPIDNYCAKKOY-UHFFFAOYSA-N 0 0 401.444 4.486 20 5 HIBDRN O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303363521 854892529 /nfs/dbraw/zinc/89/25/29/854892529.db2.gz JSPCYCRUZRGSCD-UHFFFAOYSA-N 0 0 408.863 4.217 20 5 HIBDRN O=[N+]([O-])c1cc(C[S@](=O)Cc2csc(C3CCCCC3)n2)c2c(c1)COCO2 ZINC000303394524 854906747 /nfs/dbraw/zinc/90/67/47/854906747.db2.gz ZLHPGPACQYLADH-NDEPHWFRSA-N 0 0 422.528 4.414 20 5 HIBDRN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)Sc1ccc(Br)cc1 ZINC000303412087 854915482 /nfs/dbraw/zinc/91/54/82/854915482.db2.gz RKPMOMPAJGMZQE-LBPRGKRZSA-N 0 0 409.305 4.197 20 5 HIBDRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000303431813 854932845 /nfs/dbraw/zinc/93/28/45/854932845.db2.gz WYUPLUMPXQMPAE-HXUWFJFHSA-N 0 0 423.856 4.228 20 5 HIBDRN CCCCC1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000303444106 854942624 /nfs/dbraw/zinc/94/26/24/854942624.db2.gz IFYJUPMHEBFYIV-UYSNPLJNSA-N 0 0 407.536 4.126 20 5 HIBDRN CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000303461380 854961922 /nfs/dbraw/zinc/96/19/22/854961922.db2.gz OIQVFSORWYJEPC-CYBMUJFWSA-N 0 0 421.375 4.038 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000303485731 854977827 /nfs/dbraw/zinc/97/78/27/854977827.db2.gz UUYAJXBYPQPIAY-UHFFFAOYSA-N 0 0 419.865 4.138 20 5 HIBDRN Cc1cccc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000303490163 854980868 /nfs/dbraw/zinc/98/08/68/854980868.db2.gz LPROTWDFPSATAK-INIZCTEOSA-N 0 0 405.857 4.090 20 5 HIBDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000303555950 855037882 /nfs/dbraw/zinc/03/78/82/855037882.db2.gz WRBSFWMPFGEAMJ-ZDUSSCGKSA-N 0 0 418.375 4.160 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(COc2ccccc2)CC1 ZINC000303573984 855049426 /nfs/dbraw/zinc/04/94/26/855049426.db2.gz YXPQJLXCGYPOLG-OAHLLOKOSA-N 0 0 417.893 4.366 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1cccc(O)c1)CC1CC1 ZINC000303587523 855061199 /nfs/dbraw/zinc/06/11/99/855061199.db2.gz GRKQIWGLKJHYOZ-UHFFFAOYSA-N 0 0 412.489 4.299 20 5 HIBDRN O=[N+]([O-])c1ccc2nc(N[C@H]3CCN(c4ccccc4OC(F)F)C3)ccc2c1 ZINC000303601806 855071363 /nfs/dbraw/zinc/07/13/63/855071363.db2.gz AEPLKWGCPLBSGY-AWEZNQCLSA-N 0 0 400.385 4.435 20 5 HIBDRN COc1ccc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000303603735 855072239 /nfs/dbraw/zinc/07/22/39/855072239.db2.gz AMNDVXXGTOMRQS-LJAQVGFWSA-N 0 0 416.499 4.437 20 5 HIBDRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000303642577 855098631 /nfs/dbraw/zinc/09/86/31/855098631.db2.gz SFAAGGXHHYGXJB-JTQLQIEISA-N 0 0 404.785 4.183 20 5 HIBDRN Cc1cccc(N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000303653025 855108135 /nfs/dbraw/zinc/10/81/35/855108135.db2.gz BPJQTLNLMJFQKH-UHFFFAOYSA-N 0 0 422.407 4.196 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](Cc2ccccc2)c2cccs2)ccc1[N+](=O)[O-] ZINC000303679454 855127983 /nfs/dbraw/zinc/12/79/83/855127983.db2.gz RHQNNQLPZCRDLA-QGZVFWFLSA-N 0 0 412.467 4.144 20 5 HIBDRN Cc1cc(Cl)cc2nc(SCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)oc21 ZINC000303690276 855135792 /nfs/dbraw/zinc/13/57/92/855135792.db2.gz PLRHLBPBHSNIEH-UHFFFAOYSA-N 0 0 403.847 4.379 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000303706635 855143570 /nfs/dbraw/zinc/14/35/70/855143570.db2.gz BVNSNGXJNIYGAO-UHFFFAOYSA-N 0 0 402.398 4.091 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(Br)ccc2Cl)cc([N+](=O)[O-])c1 ZINC000303719512 855149770 /nfs/dbraw/zinc/14/97/70/855149770.db2.gz RKYJLSAFFLKJHK-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000303726543 855153445 /nfs/dbraw/zinc/15/34/45/855153445.db2.gz SXCAOSXWONGXQW-NDEPHWFRSA-N 0 0 403.504 4.083 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCS[C@H](C)[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000303727832 855155210 /nfs/dbraw/zinc/15/52/10/855155210.db2.gz UGRJJKMHXCFFCU-NWDGAFQWSA-N 0 0 409.558 4.477 20 5 HIBDRN CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)o1 ZINC000303771871 855188887 /nfs/dbraw/zinc/18/88/87/855188887.db2.gz HFFZKRUBZSMYHE-GOSISDBHSA-N 0 0 409.446 4.088 20 5 HIBDRN O=C(Nc1cccc(N2CCCCCC2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303795069 855201676 /nfs/dbraw/zinc/20/16/76/855201676.db2.gz FWBOGTYQHLKUMP-UHFFFAOYSA-N 0 0 406.442 4.481 20 5 HIBDRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303797557 855203520 /nfs/dbraw/zinc/20/35/20/855203520.db2.gz RRMMWHBMOXXARU-SWLSCSKDSA-N 0 0 423.300 4.188 20 5 HIBDRN CCn1c(SCCOc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000303846772 855242965 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ZINC000409537013 855530612 /nfs/dbraw/zinc/53/06/12/855530612.db2.gz QGUSLJBAJWGHGY-FQEVSTJZSA-N 0 0 424.501 4.210 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000437379389 862689958 /nfs/dbraw/zinc/68/99/58/862689958.db2.gz GRNHLJXFKFUPPT-VQTJNVASSA-N 0 0 424.888 4.396 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000437382912 862695585 /nfs/dbraw/zinc/69/55/85/862695585.db2.gz VTTHQYJBLHDEDW-AWEZNQCLSA-N 0 0 411.845 4.394 20 5 HIBDRN Cc1cc(F)cc([C@@]2(F)CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C2)c1 ZINC000409666893 855592209 /nfs/dbraw/zinc/59/22/09/855592209.db2.gz DCHKAOBYRNORCR-JOCHJYFZSA-N 0 0 415.440 4.353 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000409794390 855656976 /nfs/dbraw/zinc/65/69/76/855656976.db2.gz VJQBPESIYNGOOD-RDTXWAMCSA-N 0 0 421.400 4.486 20 5 HIBDRN CC(C)CNC(=O)c1cccc(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000409843374 855682555 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410.392 4.473 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000410057320 855804217 /nfs/dbraw/zinc/80/42/17/855804217.db2.gz YBQRSZHDWIXNNR-AWEZNQCLSA-N 0 0 410.499 4.358 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c([N+](=O)[O-])cc1OC ZINC000410075931 855809899 /nfs/dbraw/zinc/80/98/99/855809899.db2.gz VRBQTBVLUIETKO-UHFFFAOYSA-N 0 0 422.441 4.064 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)c1 ZINC000410144975 855837885 /nfs/dbraw/zinc/83/78/85/855837885.db2.gz XSWPRAMFCOSMJB-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN C[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000410151932 855840522 /nfs/dbraw/zinc/84/05/22/855840522.db2.gz UDUMKUOSNYKWRU-CQSZACIVSA-N 0 0 422.407 4.206 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccnc(OC(F)F)c2)no1 ZINC000410167052 855847585 /nfs/dbraw/zinc/84/75/85/855847585.db2.gz MDOPLYOGPNONTK-QMMMGPOBSA-N 0 0 412.736 4.435 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000410236089 855874840 /nfs/dbraw/zinc/87/48/40/855874840.db2.gz ZMABKWZBZNZBNC-CJNGLKHVSA-N 0 0 403.866 4.015 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(N4CCC4=O)cc3)cc2[N+](=O)[O-])C1 ZINC000410247621 855880423 /nfs/dbraw/zinc/88/04/23/855880423.db2.gz TUFHLZPMTOITAN-HOTGVXAUSA-N 0 0 422.485 4.066 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000410253865 855883048 /nfs/dbraw/zinc/88/30/48/855883048.db2.gz DJELTOOKWOHJLF-CQSZACIVSA-N 0 0 410.499 4.362 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000410258293 855886120 /nfs/dbraw/zinc/88/61/20/855886120.db2.gz PVJYKZBUVVAHLO-ZDUSSCGKSA-N 0 0 422.407 4.166 20 5 HIBDRN C[C@@H](C(=O)N[C@@H]1CCOc2c(Br)cccc21)c1ccc([N+](=O)[O-])cc1F ZINC000410263498 855888735 /nfs/dbraw/zinc/88/87/35/855888735.db2.gz HPNHRNPFCMCSNP-QLJPJBMISA-N 0 0 423.238 4.240 20 5 HIBDRN 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ZINC000426041734 856067287 /nfs/dbraw/zinc/06/72/87/856067287.db2.gz HEEUSISIZLJXSR-HIFRSBDPSA-N 0 0 405.442 4.477 20 5 HIBDRN COCC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C)o1 ZINC000426241241 856197771 /nfs/dbraw/zinc/19/77/71/856197771.db2.gz CJPYMGNSOLGPTG-OAHLLOKOSA-N 0 0 415.368 4.092 20 5 HIBDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426255888 856204905 /nfs/dbraw/zinc/20/49/05/856204905.db2.gz JSHGEJWVGFQUHG-LBPRGKRZSA-N 0 0 413.318 4.486 20 5 HIBDRN COc1cccc(C2(CNC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])CC2)c1 ZINC000426261195 856207678 /nfs/dbraw/zinc/20/76/78/856207678.db2.gz OWDGHEWKCBTSGI-UHFFFAOYSA-N 0 0 403.438 4.127 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCc2c1cc(F)cc2F ZINC000426262330 856207923 /nfs/dbraw/zinc/20/79/23/856207923.db2.gz WOWCMWPOPMZKGW-UHFFFAOYSA-N 0 0 401.291 4.164 20 5 HIBDRN COc1cccc(C2=CCN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)c1 ZINC000426264798 856209017 /nfs/dbraw/zinc/20/90/17/856209017.db2.gz SGDZOCBBCRZRBD-UHFFFAOYSA-N 0 0 421.375 4.231 20 5 HIBDRN COc1ccc([C@@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)cc1 ZINC000426270417 856212450 /nfs/dbraw/zinc/21/24/50/856212450.db2.gz WTAHYPGGRNGHOG-OAHLLOKOSA-N 0 0 423.391 4.321 20 5 HIBDRN CCCNc1ccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000426272445 856213033 /nfs/dbraw/zinc/21/30/33/856213033.db2.gz XCJDQYGXNPMTDZ-UHFFFAOYSA-N 0 0 410.396 4.435 20 5 HIBDRN COCCN(C[C@@H]1CC=CCC1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426278057 856216587 /nfs/dbraw/zinc/21/65/87/856216587.db2.gz UQTCMGBGFHZMRZ-CQSZACIVSA-N 0 0 415.412 4.128 20 5 HIBDRN Cc1cccn2cc(CNC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])nc12 ZINC000426389138 856270384 /nfs/dbraw/zinc/27/03/84/856270384.db2.gz KKDJZVIMTPOSQW-UHFFFAOYSA-N 0 0 416.437 4.060 20 5 HIBDRN Cc1cccc(NC(=O)Nc2cccc3c2N(CCn2ccc([N+](=O)[O-])n2)CCC3)c1 ZINC000426456373 856299228 /nfs/dbraw/zinc/29/92/28/856299228.db2.gz DLPITAOFWPUSMQ-UHFFFAOYSA-N 0 0 420.473 4.197 20 5 HIBDRN Cc1nsc(C)c1-c1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000426598128 856366071 /nfs/dbraw/zinc/36/60/71/856366071.db2.gz IIMBETJVHTXQPH-OAHLLOKOSA-N 0 0 413.459 4.004 20 5 HIBDRN Cc1nsc(C)c1-c1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000426598127 856366235 /nfs/dbraw/zinc/36/62/35/856366235.db2.gz IIMBETJVHTXQPH-HNNXBMFYSA-N 0 0 413.459 4.004 20 5 HIBDRN CCc1nn(C)cc1-c1noc(-c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000426635864 856386292 /nfs/dbraw/zinc/38/62/92/856386292.db2.gz CBONPTDICSGMME-KBPBESRZSA-N 0 0 410.478 4.090 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cc(C4CCCCC4)[nH]n3)cc2)c(C)c1[N+](=O)[O-] ZINC000426670126 856405144 /nfs/dbraw/zinc/40/51/44/856405144.db2.gz CPYPCBDQGKBOAY-UHFFFAOYSA-N 0 0 422.489 4.480 20 5 HIBDRN Cc1nc(CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)sc1C(=O)[O-] ZINC000426707587 856423740 /nfs/dbraw/zinc/42/37/40/856423740.db2.gz AWKAYFUDXQMXQC-UHFFFAOYSA-N 0 0 401.444 4.040 20 5 HIBDRN O=C([O-])[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426722806 856434168 /nfs/dbraw/zinc/43/41/68/856434168.db2.gz IWUMPYULYKUTPB-SFHVURJKSA-N 0 0 400.818 4.294 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cccc(Cl)c1Cl ZINC000426724504 856435799 /nfs/dbraw/zinc/43/57/99/856435799.db2.gz STVIXCBSIDUQFZ-INIZCTEOSA-N 0 0 408.241 4.168 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000426727798 856438316 /nfs/dbraw/zinc/43/83/16/856438316.db2.gz QLPZZJUUBDCDBF-KRWDZBQOSA-N 0 0 408.241 4.168 20 5 HIBDRN O=C([O-])[C@@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000426736854 856444152 /nfs/dbraw/zinc/44/41/52/856444152.db2.gz KQNDIKMBQQFHOZ-QGZVFWFLSA-N 0 0 417.874 4.157 20 5 HIBDRN O=C([O-])[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000426738576 856445550 /nfs/dbraw/zinc/44/55/50/856445550.db2.gz XFVHDTYAOPLMQH-SFHVURJKSA-N 0 0 400.431 4.248 20 5 HIBDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426765068 856464838 /nfs/dbraw/zinc/46/48/38/856464838.db2.gz JWQHXMPRALQKBZ-QFIPXVFZSA-N 0 0 422.437 4.098 20 5 HIBDRN COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426765470 856466297 /nfs/dbraw/zinc/46/62/97/856466297.db2.gz OPOZFFXZKVEGPN-NRFANRHFSA-N 0 0 406.438 4.056 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+][C@H](Cc3cc(C)cc(C)c3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426771166 856468971 /nfs/dbraw/zinc/46/89/71/856468971.db2.gz ZHOGCHYSGZBDHY-HXUWFJFHSA-N 0 0 424.453 4.266 20 5 HIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000426780087 856474541 /nfs/dbraw/zinc/47/45/41/856474541.db2.gz OGYQBKJORDQNIJ-KRWDZBQOSA-N 0 0 423.450 4.250 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000426788950 856478963 /nfs/dbraw/zinc/47/89/63/856478963.db2.gz QKOFFMPQEMXSGB-UHFFFAOYSA-N 0 0 413.405 4.294 20 5 HIBDRN CC(C)[C@H](CC(=O)[O-])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426810713 856491519 /nfs/dbraw/zinc/49/15/19/856491519.db2.gz JISRBWNPNCUBIC-FQEVSTJZSA-N 0 0 408.458 4.036 20 5 HIBDRN Cc1c(NC(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000437433670 862805800 /nfs/dbraw/zinc/80/58/00/862805800.db2.gz RVXMMAHMDODVTD-IERDGZPVSA-N 0 0 413.474 4.350 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](c1ccco1)c1ccccc1 ZINC000426879228 856524128 /nfs/dbraw/zinc/52/41/28/856524128.db2.gz PUMLNRDFEBGIAH-IBGZPJMESA-N 0 0 415.243 4.399 20 5 HIBDRN CC(C)C[C@@H](C)n1nccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000426881257 856525224 /nfs/dbraw/zinc/52/52/24/856525224.db2.gz CZWPHDWEAJTXOU-SECBINFHSA-N 0 0 401.286 4.475 20 5 HIBDRN CNC(=O)c1ccc(N[C@H](COc2ccccc2F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000426892795 856529165 /nfs/dbraw/zinc/52/91/65/856529165.db2.gz AWOUMEDSDPCXMM-LJQANCHMSA-N 0 0 409.417 4.326 20 5 HIBDRN NC(=O)c1ccc(CSCCOc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000437440705 862810654 /nfs/dbraw/zinc/81/06/54/862810654.db2.gz ULKGMQDDRFCQJN-UHFFFAOYSA-N 0 0 401.271 4.313 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000427166527 856685694 /nfs/dbraw/zinc/68/56/94/856685694.db2.gz FLYONKBUDFFDOG-NSHDSACASA-N 0 0 414.277 4.042 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000427172887 856689402 /nfs/dbraw/zinc/68/94/02/856689402.db2.gz UAECBUMVQBLUQC-GOSISDBHSA-N 0 0 404.507 4.083 20 5 HIBDRN Cc1c(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cnn1-c1cc(C)ccc1C ZINC000437470463 862831949 /nfs/dbraw/zinc/83/19/49/862831949.db2.gz UPOWBMRXYJWOKU-UHFFFAOYSA-N 0 0 417.425 4.212 20 5 HIBDRN O=C(Cc1csc(Cc2ccccc2)n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437462515 862825825 /nfs/dbraw/zinc/82/58/25/862825825.db2.gz OACCUQJIKOGWKT-UHFFFAOYSA-N 0 0 407.495 4.376 20 5 HIBDRN O=c1c(C(F)(F)F)nc2ccc(C(F)(F)F)cc2n1Cc1ccccc1[N+](=O)[O-] ZINC000427273216 856746363 /nfs/dbraw/zinc/74/63/63/856746363.db2.gz LUFLAMDHWAYQLZ-UHFFFAOYSA-N 0 0 417.265 4.391 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)n1 ZINC000427355720 856790401 /nfs/dbraw/zinc/79/04/01/856790401.db2.gz WWWADPQBIOFZEH-UHFFFAOYSA-N 0 0 400.435 4.032 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)n1 ZINC000427377338 856800737 /nfs/dbraw/zinc/80/07/37/856800737.db2.gz XSJCANLBRUURJO-GOSISDBHSA-N 0 0 416.840 4.432 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000427377410 856801199 /nfs/dbraw/zinc/80/11/99/856801199.db2.gz YEOJSJSXZUQXBM-AWEZNQCLSA-N 0 0 420.290 4.238 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)n1 ZINC000427388073 856803508 /nfs/dbraw/zinc/80/35/08/856803508.db2.gz AEBDPEDSZDDHLW-AWEZNQCLSA-N 0 0 416.787 4.365 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000427390374 856804081 /nfs/dbraw/zinc/80/40/81/856804081.db2.gz JKCKFBFAVNYWQO-LSDHHAIUSA-N 0 0 410.396 4.238 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000427396845 856805651 /nfs/dbraw/zinc/80/56/51/856805651.db2.gz UIEOCQQYZCPKRH-WFASDCNBSA-N 0 0 417.512 4.147 20 5 HIBDRN CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[nH]1 ZINC000427432337 856817318 /nfs/dbraw/zinc/81/73/18/856817318.db2.gz SRPBCSNKUGVPLX-LSDHHAIUSA-N 0 0 423.473 4.296 20 5 HIBDRN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[nH]1 ZINC000427432336 856817497 /nfs/dbraw/zinc/81/74/97/856817497.db2.gz SRPBCSNKUGVPLX-HUUCEWRRSA-N 0 0 423.473 4.296 20 5 HIBDRN Cc1sc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1[N+](=O)[O-] ZINC000427456483 856828154 /nfs/dbraw/zinc/82/81/54/856828154.db2.gz AJBLMDLPQWLJAX-QGZVFWFLSA-N 0 0 402.863 4.270 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(C)cnn1[C@@H]1CCCc2ccccc21 ZINC000427462153 856830999 /nfs/dbraw/zinc/83/09/99/856830999.db2.gz ISICYLJJRWOTAG-LJQANCHMSA-N 0 0 406.442 4.286 20 5 HIBDRN Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])ccc1OCCO ZINC000427472336 856835100 /nfs/dbraw/zinc/83/51/00/856835100.db2.gz FGBYNKSDZVJPLU-UHFFFAOYSA-N 0 0 422.437 4.106 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2ccoc2)nn1-c1ccccc1 ZINC000427473484 856836103 /nfs/dbraw/zinc/83/61/03/856836103.db2.gz WSZCJHAHSOAIHS-UHFFFAOYSA-N 0 0 404.382 4.301 20 5 HIBDRN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1Br ZINC000427536707 856854105 /nfs/dbraw/zinc/85/41/05/856854105.db2.gz KKVWYIIFHJGQKK-ROUUACIJSA-N 0 0 419.275 4.225 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2Oc2ccc(C)cc2OC)n1 ZINC000427603988 856884906 /nfs/dbraw/zinc/88/49/06/856884906.db2.gz MRQNLSDFMXOALY-UHFFFAOYSA-N 0 0 414.393 4.312 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000427607996 856886036 /nfs/dbraw/zinc/88/60/36/856886036.db2.gz WFGDVOYOXZLYIV-NRFANRHFSA-N 0 0 416.437 4.010 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Br)ccc1NC1CC1 ZINC000427623900 856891708 /nfs/dbraw/zinc/89/17/08/856891708.db2.gz XTUDCAMDEBHZDN-UHFFFAOYSA-N 0 0 406.236 4.193 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000427699280 856913549 /nfs/dbraw/zinc/91/35/49/856913549.db2.gz TZCMAEAJGWJWIA-UHFFFAOYSA-N 0 0 415.496 4.295 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000427742001 856934261 /nfs/dbraw/zinc/93/42/61/856934261.db2.gz OODUBUQWAUGLFG-UHFFFAOYSA-N 0 0 404.463 4.034 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1[N+](=O)[O-] ZINC000427775487 856949506 /nfs/dbraw/zinc/94/95/06/856949506.db2.gz CYVORAYOWQYCDQ-UHFFFAOYSA-N 0 0 423.494 4.319 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000427786021 856952921 /nfs/dbraw/zinc/95/29/21/856952921.db2.gz QOEBDVKWZBWBQZ-UHFFFAOYSA-N 0 0 414.405 4.108 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000427800722 856961208 /nfs/dbraw/zinc/96/12/08/856961208.db2.gz HXEPBXDJWDJIHC-WMZOPIPTSA-N 0 0 416.905 4.394 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000427806331 856963445 /nfs/dbraw/zinc/96/34/45/856963445.db2.gz HGEHZDCWNUQHFS-UHFFFAOYSA-N 0 0 423.494 4.319 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000427812261 856966335 /nfs/dbraw/zinc/96/63/35/856966335.db2.gz PYGCEDJVUUFPPR-BBRMVZONSA-N 0 0 409.269 4.058 20 5 HIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4OC)CC3)c2c1 ZINC000427814589 856966889 /nfs/dbraw/zinc/96/68/89/856966889.db2.gz CZKVMNYLHIYRRQ-UHFFFAOYSA-N 0 0 409.442 4.113 20 5 HIBDRN CCCCc1ccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000427853685 856982776 /nfs/dbraw/zinc/98/27/76/856982776.db2.gz OWRBVRRZUCLWSR-UHFFFAOYSA-N 0 0 423.391 4.211 20 5 HIBDRN CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCN2C(=O)COC ZINC000427861808 856985886 /nfs/dbraw/zinc/98/58/86/856985886.db2.gz DELJIVDXTOTWTD-MRXNPFEDSA-N 0 0 415.515 4.113 20 5 HIBDRN COCC(=O)N1CCc2cc(N[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000427876073 856990366 /nfs/dbraw/zinc/99/03/66/856990366.db2.gz LJIIVSZYPQUMGQ-DEOSSOPVSA-N 0 0 417.465 4.332 20 5 HIBDRN O=C(Nc1nc2cc(F)ccc2[nH]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000428040631 857052227 /nfs/dbraw/zinc/05/22/27/857052227.db2.gz XIQBMWWEJKWULT-UHFFFAOYSA-N 0 0 408.339 4.227 20 5 HIBDRN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])c(CO)c2)c(C)n1CCc1ccccc1 ZINC000428088255 857068525 /nfs/dbraw/zinc/06/85/25/857068525.db2.gz HFTYAPFNBHSAKQ-UHFFFAOYSA-N 0 0 408.454 4.010 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H](OCC4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000428113058 857076975 /nfs/dbraw/zinc/07/69/75/857076975.db2.gz QWTXFQMSSIPRKG-QKLQHJQFSA-N 0 0 415.534 4.108 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cnn(CC(C)C)c1-c1ccccc1 ZINC000428273311 857136037 /nfs/dbraw/zinc/13/60/37/857136037.db2.gz ZQVXODGYTWNJOB-UHFFFAOYSA-N 0 0 408.458 4.053 20 5 HIBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC2(C1)CCCC2 ZINC000428290749 857143494 /nfs/dbraw/zinc/14/34/94/857143494.db2.gz ZSFGWIPYUSQWOT-UHFFFAOYSA-N 0 0 411.424 4.233 20 5 HIBDRN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)C2)cc1 ZINC000428315931 857149783 /nfs/dbraw/zinc/14/97/83/857149783.db2.gz QCKXDIBGUCJGCJ-WBVHZDCISA-N 0 0 400.500 4.006 20 5 HIBDRN CC[C@@]1(CO)CCCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000428451565 857207037 /nfs/dbraw/zinc/20/70/37/857207037.db2.gz CLDSPGJVQLAXAR-HSZRJFAPSA-N 0 0 414.502 4.167 20 5 HIBDRN C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000428624307 857281419 /nfs/dbraw/zinc/28/14/19/857281419.db2.gz GKQSNSALAWQINV-JTQLQIEISA-N 0 0 402.398 4.140 20 5 HIBDRN O=C(c1cccc(Br)c1F)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000428634940 857284058 /nfs/dbraw/zinc/28/40/58/857284058.db2.gz CMYVFGJOKLPGGU-MRXNPFEDSA-N 0 0 411.252 4.384 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccc(Br)cc2)c2ccncc21 ZINC000428664411 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COc1cc(C)c([C@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1OC ZINC000429941473 857960781 /nfs/dbraw/zinc/96/07/81/857960781.db2.gz DBBTYWMVLOBGEG-NSHDSACASA-N 0 0 423.263 4.174 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N[C@@H]1CC12CCCC2 ZINC000429947777 857964988 /nfs/dbraw/zinc/96/49/88/857964988.db2.gz PIRBHEDGBZPFAJ-OAHLLOKOSA-N 0 0 417.512 4.195 20 5 HIBDRN COc1ccc(OC(F)F)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000429949666 857965029 /nfs/dbraw/zinc/96/50/29/857965029.db2.gz HBLSRADKJSPVPC-UHFFFAOYSA-N 0 0 417.162 4.220 20 5 HIBDRN C[C@H]1CC[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000429961663 857971289 /nfs/dbraw/zinc/97/12/89/857971289.db2.gz AAQXRIWGCALEFK-STQMWFEESA-N 0 0 419.528 4.393 20 5 HIBDRN C[C@@H]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000429961660 857971447 /nfs/dbraw/zinc/97/14/47/857971447.db2.gz AAQXRIWGCALEFK-CHWSQXEVSA-N 0 0 419.528 4.393 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(OCc2ccccc2)CC1 ZINC000429965210 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CO[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000430643728 858245705 /nfs/dbraw/zinc/24/57/05/858245705.db2.gz SBRJLBAFPKVYMM-HNNXBMFYSA-N 0 0 413.655 4.128 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430683711 858267459 /nfs/dbraw/zinc/26/74/59/858267459.db2.gz KPLKARGWAIGBLK-UHFFFAOYSA-N 0 0 405.454 4.393 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000430716717 858277160 /nfs/dbraw/zinc/27/71/60/858277160.db2.gz TUYPFEWWNGZTOB-SSEXGKCCSA-N 0 0 424.478 4.229 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1c(F)cc(F)c(F)c1F ZINC000430816175 858314692 /nfs/dbraw/zinc/31/46/92/858314692.db2.gz XTKMZRRXCWUKGS-UHFFFAOYSA-N 0 0 414.358 4.028 20 5 HIBDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-])CCC2 ZINC000430947562 858379693 /nfs/dbraw/zinc/37/96/93/858379693.db2.gz DZSLNRDWCSXBOW-ZDUSSCGKSA-N 0 0 410.293 4.272 20 5 HIBDRN CCn1c(S[C@@H](C)c2cc(C(=O)OC)c(C)o2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000430987367 858393402 /nfs/dbraw/zinc/39/34/02/858393402.db2.gz GHAMUIQUJAUBPR-LBPRGKRZSA-N 0 0 416.459 4.415 20 5 HIBDRN COc1ccc(Cc2noc(-c3ccc(Br)cc3[N+](=O)[O-])n2)cc1OC ZINC000430990328 858394636 /nfs/dbraw/zinc/39/46/36/858394636.db2.gz WDPALBGIQYQLRS-UHFFFAOYSA-N 0 0 420.219 4.015 20 5 HIBDRN C[C@H]1CCCN(Cc2csc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000431077733 858437218 /nfs/dbraw/zinc/43/72/18/858437218.db2.gz PUMGCYLRKRNOKD-AWEZNQCLSA-N 0 0 417.535 4.340 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000431151073 858472108 /nfs/dbraw/zinc/47/21/08/858472108.db2.gz MYTIXHBVRRKDFJ-INIZCTEOSA-N 0 0 408.227 4.177 20 5 HIBDRN C[C@@H](OCCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000431160078 858478307 /nfs/dbraw/zinc/47/83/07/858478307.db2.gz KBWZNZIUXYZRLP-CYBMUJFWSA-N 0 0 407.264 4.255 20 5 HIBDRN C[C@H](OCCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000431160080 858478779 /nfs/dbraw/zinc/47/87/79/858478779.db2.gz KBWZNZIUXYZRLP-ZDUSSCGKSA-N 0 0 407.264 4.255 20 5 HIBDRN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)nc1 ZINC000431164518 858480725 /nfs/dbraw/zinc/48/07/25/858480725.db2.gz XLRRKEUEXVOPOK-UHFFFAOYSA-N 0 0 424.844 4.168 20 5 HIBDRN COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431185144 858494320 /nfs/dbraw/zinc/49/43/20/858494320.db2.gz XGJXTHKQGVWLLI-GJZGRUSLSA-N 0 0 405.248 4.417 20 5 HIBDRN Cc1c(NC(=O)c2nc(C3CC3)n3ccccc23)cc(Br)cc1[N+](=O)[O-] ZINC000431233245 858520862 /nfs/dbraw/zinc/52/08/62/858520862.db2.gz FKRRCTWSMSOSEM-UHFFFAOYSA-N 0 0 415.247 4.443 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000431250443 858530570 /nfs/dbraw/zinc/53/05/70/858530570.db2.gz NWVSYRHLOXWYMM-UHFFFAOYSA-N 0 0 402.147 4.220 20 5 HIBDRN Cc1c(NC(=O)c2ccc(-n3cccn3)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000431251004 858530626 /nfs/dbraw/zinc/53/06/26/858530626.db2.gz ZCYSBCKECBISJZ-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1c(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431253139 858532631 /nfs/dbraw/zinc/53/26/31/858532631.db2.gz AULMOSDPEXSOPW-UHFFFAOYSA-N 0 0 418.247 4.267 20 5 HIBDRN Cc1c(NC(=O)c2c(F)c(F)cc(F)c2F)cc(Br)cc1[N+](=O)[O-] ZINC000431262338 858537578 /nfs/dbraw/zinc/53/75/78/858537578.db2.gz GERKKHNVJIEOMD-UHFFFAOYSA-N 0 0 407.117 4.474 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000437699726 863034918 /nfs/dbraw/zinc/03/49/18/863034918.db2.gz LNWUPBNYHHILFL-HNNXBMFYSA-N 0 0 402.882 4.467 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000431274915 858543496 /nfs/dbraw/zinc/54/34/96/858543496.db2.gz JSXQJQRPSIJJOV-UHFFFAOYSA-N 0 0 400.859 4.128 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000431425540 858608239 /nfs/dbraw/zinc/60/82/39/858608239.db2.gz CVVRDNIHTUXMSK-SNVBAGLBSA-N 0 0 421.226 4.417 20 5 HIBDRN CC(C)(NC(=O)CCC(=O)CCC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000431424614 858608618 /nfs/dbraw/zinc/60/86/18/858608618.db2.gz YVOCLYFMMYABAG-UHFFFAOYSA-N 0 0 402.472 4.020 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000431429840 858610531 /nfs/dbraw/zinc/61/05/31/858610531.db2.gz KFZKMKNUUGGOFS-OAHLLOKOSA-N 0 0 417.771 4.431 20 5 HIBDRN CC(=O)Nc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1Cl ZINC000431439852 858615391 /nfs/dbraw/zinc/61/53/91/858615391.db2.gz XAWAJANZWZVPSD-UHFFFAOYSA-N 0 0 412.627 4.221 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1C(=O)NC(C)C ZINC000431439985 858615682 /nfs/dbraw/zinc/61/56/82/858615682.db2.gz XQHOJWXJDHXZQK-UHFFFAOYSA-N 0 0 420.263 4.056 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431467403 858630317 /nfs/dbraw/zinc/63/03/17/858630317.db2.gz YIOXBVBUSCEZAT-KSSFIOAISA-N 0 0 419.275 4.255 20 5 HIBDRN O=C(NCCCc1nc2c(s1)CCCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431472856 858632802 /nfs/dbraw/zinc/63/28/02/858632802.db2.gz SAKFODOVKWFFCN-UHFFFAOYSA-N 0 0 424.320 4.055 20 5 HIBDRN C[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Br)cc1 ZINC000431481196 858637940 /nfs/dbraw/zinc/63/79/40/858637940.db2.gz FVLQUMUAQDEZSX-ZDUSSCGKSA-N 0 0 403.276 4.436 20 5 HIBDRN CCOc1ccc(OCC)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431487662 858639803 /nfs/dbraw/zinc/63/98/03/858639803.db2.gz BRCMPCOYHWVRRX-UHFFFAOYSA-N 0 0 409.236 4.407 20 5 HIBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431499338 858645450 /nfs/dbraw/zinc/64/54/50/858645450.db2.gz GDTOIGIQDIAAJU-UHFFFAOYSA-N 0 0 415.247 4.020 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N(Cc1ccco1)Cc1cccs1 ZINC000431563152 858670871 /nfs/dbraw/zinc/67/08/71/858670871.db2.gz GLIWIXYWDWKFLS-UHFFFAOYSA-N 0 0 423.450 4.405 20 5 HIBDRN Cc1cc(Br)ccc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000431571030 858673218 /nfs/dbraw/zinc/67/32/18/858673218.db2.gz NURMMVIHHDCFIE-UHFFFAOYSA-N 0 0 416.231 4.231 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000431778823 858807566 /nfs/dbraw/zinc/80/75/66/858807566.db2.gz NRGKUTCZQPODHZ-MRXNPFEDSA-N 0 0 407.239 4.344 20 5 HIBDRN COCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000431915595 858868607 /nfs/dbraw/zinc/86/86/07/858868607.db2.gz DCRALOFYXQAVDP-ZDUSSCGKSA-N 0 0 407.264 4.207 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000431941965 858880571 /nfs/dbraw/zinc/88/05/71/858880571.db2.gz YHEVFCJDIGXFTL-HNNXBMFYSA-N 0 0 419.231 4.063 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432019609 858932732 /nfs/dbraw/zinc/93/27/32/858932732.db2.gz LSTCNQHUYXTKJD-GOSISDBHSA-N 0 0 417.412 4.398 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000432092701 858984304 /nfs/dbraw/zinc/98/43/04/858984304.db2.gz YSEUBUUDPDKSTA-HNNXBMFYSA-N 0 0 418.291 4.132 20 5 HIBDRN Cc1cc(NC2(Cc3ccc(F)cc3Br)CCOCC2)ncc1[N+](=O)[O-] ZINC000432170338 859029416 /nfs/dbraw/zinc/02/94/16/859029416.db2.gz SBOSRTLMYSQDLQ-UHFFFAOYSA-N 0 0 424.270 4.404 20 5 HIBDRN C[C@]1(C2CC2)NC(=O)N(c2cccc(CNc3c(Cl)cccc3[N+](=O)[O-])c2)C1=O ZINC000432174076 859030722 /nfs/dbraw/zinc/03/07/22/859030722.db2.gz FICZPHLFLJSSGX-HXUWFJFHSA-N 0 0 414.849 4.085 20 5 HIBDRN Cc1nn(CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000432241935 859064549 /nfs/dbraw/zinc/06/45/49/859064549.db2.gz UNLFVEMQBMIART-UHFFFAOYSA-N 0 0 414.421 4.388 20 5 HIBDRN Cc1nn(CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000432245125 859065904 /nfs/dbraw/zinc/06/59/04/859065904.db2.gz HNJYCPWWVGFDTP-NRFANRHFSA-N 0 0 424.457 4.359 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c1[N+](=O)[O-] ZINC000432270194 859077192 /nfs/dbraw/zinc/07/71/92/859077192.db2.gz KOCKSVWGUUUFLQ-CQSZACIVSA-N 0 0 414.405 4.457 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c1C ZINC000432289287 859086958 /nfs/dbraw/zinc/08/69/58/859086958.db2.gz NKSHZESULFIHJB-OAHLLOKOSA-N 0 0 414.405 4.457 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)cc1[N+](=O)[O-] ZINC000432305652 859095176 /nfs/dbraw/zinc/09/51/76/859095176.db2.gz IXMAVBGRWJEIPJ-CQSZACIVSA-N 0 0 414.405 4.457 20 5 HIBDRN Cc1ccc([C@H]2CSCCN2C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000432338681 859109091 /nfs/dbraw/zinc/10/90/91/859109091.db2.gz GAMNNOZAVVNITR-LJQANCHMSA-N 0 0 423.494 4.147 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CC[S@@](=O)CC[C@H]3C)cc2[N+](=O)[O-])cc1 ZINC000432436340 859163697 /nfs/dbraw/zinc/16/36/97/859163697.db2.gz LIURCQQLOJMOBH-JMGYQRAPSA-N 0 0 418.540 4.038 20 5 HIBDRN C[C@@H]1CC[S@](=O)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000432443071 859166547 /nfs/dbraw/zinc/16/65/47/859166547.db2.gz TUCMDMXBQMNRLD-QYSRSOONSA-N 0 0 422.890 4.024 20 5 HIBDRN COc1ccc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cc1[N+](=O)[O-] ZINC000432595611 859246799 /nfs/dbraw/zinc/24/67/99/859246799.db2.gz XVFJQHJTBKSDHJ-OAHLLOKOSA-N 0 0 410.455 4.175 20 5 HIBDRN Cc1ccccc1-n1nccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432659358 859278101 /nfs/dbraw/zinc/27/81/01/859278101.db2.gz PNNIOFDHHSCDIA-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COc1ccc(C)c2c1N(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)CCC2 ZINC000432679003 859287689 /nfs/dbraw/zinc/28/76/89/859287689.db2.gz VIBYJEBIUCHCDV-UHFFFAOYSA-N 0 0 405.248 4.267 20 5 HIBDRN O=C(Nc1ccnn1CCc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432680508 859288740 /nfs/dbraw/zinc/28/87/40/859288740.db2.gz QZBNANMRDJTFKV-UHFFFAOYSA-N 0 0 415.247 4.049 20 5 HIBDRN COCc1cccc2sc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)nc21 ZINC000432682889 859292428 /nfs/dbraw/zinc/29/24/28/859292428.db2.gz UJIHXXMUOPUQGX-UHFFFAOYSA-N 0 0 422.260 4.366 20 5 HIBDRN O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000432685069 859293146 /nfs/dbraw/zinc/29/31/46/859293146.db2.gz MHMFKEXEZPIMFU-UHFFFAOYSA-N 0 0 401.422 4.185 20 5 HIBDRN Cc1c(Br)ccc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1F ZINC000432698596 859301549 /nfs/dbraw/zinc/30/15/49/859301549.db2.gz KDUKFGVYNLVDTD-UHFFFAOYSA-N 0 0 407.199 4.467 20 5 HIBDRN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC000432724396 859320839 /nfs/dbraw/zinc/32/08/39/859320839.db2.gz YSVUYYQUSIJJSD-UHFFFAOYSA-N 0 0 417.828 4.355 20 5 HIBDRN Cc1ccc(-c2cccnc2)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000432803473 859368821 /nfs/dbraw/zinc/36/88/21/859368821.db2.gz GOMYTRFPEYERPN-UHFFFAOYSA-N 0 0 417.469 4.319 20 5 HIBDRN C[C@@H]1CN(c2ccccc2NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000432902759 859418615 /nfs/dbraw/zinc/41/86/15/859418615.db2.gz LPOYSYVEYQPVIC-HZPDHXFCSA-N 0 0 412.490 4.265 20 5 HIBDRN O=C(c1cc(NC[C@@H]2CCCN(c3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000432922453 859432316 /nfs/dbraw/zinc/43/23/16/859432316.db2.gz NPNHEVYMNZVNQT-SFHVURJKSA-N 0 0 408.502 4.159 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2c(Cl)cc(F)cc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000432990090 859465870 /nfs/dbraw/zinc/46/58/70/859465870.db2.gz XNDKMUDFYSQRRC-UHFFFAOYSA-N 0 0 401.177 4.388 20 5 HIBDRN CC(C)(NC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)c1ccccc1[N+](=O)[O-] ZINC000433028440 859488246 /nfs/dbraw/zinc/48/82/46/859488246.db2.gz ZKYFMUSRENCRFS-UHFFFAOYSA-N 0 0 424.432 4.001 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CC[S@](=O)C[C@@H](C)C3)cc2[N+](=O)[O-])cc1 ZINC000433033457 859490820 /nfs/dbraw/zinc/49/08/20/859490820.db2.gz VRDJEAFPSDLNOP-OQRWROFFSA-N 0 0 404.557 4.255 20 5 HIBDRN O=C(NC[C@H](O)C(F)(F)F)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467632296 881430982 /nfs/dbraw/zinc/43/09/82/881430982.db2.gz DRTRDPZYXSKVLW-ZDUSSCGKSA-N 0 0 420.796 4.052 20 5 HIBDRN COc1ccc([C@@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2nccn2C)cc1 ZINC000433137492 859535407 /nfs/dbraw/zinc/53/54/07/859535407.db2.gz UCGVOZLVUNJJQX-NHCUHLMSSA-N 0 0 406.486 4.439 20 5 HIBDRN CC(C)(NC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000433176235 859555522 /nfs/dbraw/zinc/55/55/22/859555522.db2.gz QDITVEAAJDIAFH-HNNXBMFYSA-N 0 0 417.437 4.349 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1)n1cncn1 ZINC000433236843 859582984 /nfs/dbraw/zinc/58/29/84/859582984.db2.gz YTPMKRHHILWQEA-JLTOFOAXSA-N 0 0 420.473 4.221 20 5 HIBDRN COc1ccc(CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)cc1[N+](=O)[O-] ZINC000433415143 859686875 /nfs/dbraw/zinc/68/68/75/859686875.db2.gz QOWDCRLFIBGQFY-BAUKFBFWSA-N 0 0 412.408 4.369 20 5 HIBDRN O=C(Nc1c2c(ccc1Cl)OCC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000433479509 859722303 /nfs/dbraw/zinc/72/23/03/859722303.db2.gz HUUWFALQUJJPSQ-UHFFFAOYSA-N 0 0 417.849 4.258 20 5 HIBDRN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000433574535 859787722 /nfs/dbraw/zinc/78/77/22/859787722.db2.gz OLVTYAFVSTVNNV-SGTLLEGYSA-N 0 0 424.375 4.000 20 5 HIBDRN C[C@H]1CCc2onc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)c2C1 ZINC000433596213 859802478 /nfs/dbraw/zinc/80/24/78/859802478.db2.gz WEGIDAVDZOCQPR-ZDUSSCGKSA-N 0 0 405.410 4.191 20 5 HIBDRN Cc1ccc(NC(=O)Cc2nc(COc3cc(F)cc([N+](=O)[O-])c3)cs2)cc1 ZINC000433620698 859813275 /nfs/dbraw/zinc/81/32/75/859813275.db2.gz ACRXAJSJAPTYIL-UHFFFAOYSA-N 0 0 401.419 4.259 20 5 HIBDRN C[C@H]1c2c(Cl)cc(Cl)cc2CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000433621414 859813941 /nfs/dbraw/zinc/81/39/41/859813941.db2.gz ISBWQWQTOQSTTR-JTQLQIEISA-N 0 0 415.298 4.429 20 5 HIBDRN CSC1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000433701144 859843690 /nfs/dbraw/zinc/84/36/90/859843690.db2.gz ZFVFNVKICRLBHG-UHFFFAOYSA-N 0 0 422.510 4.002 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(Br)c(C)c1F ZINC000433732265 859862434 /nfs/dbraw/zinc/86/24/34/859862434.db2.gz DWHYIQUPEHARTK-UHFFFAOYSA-N 0 0 412.215 4.135 20 5 HIBDRN CC[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000433757079 859878856 /nfs/dbraw/zinc/87/88/56/859878856.db2.gz NFSIIKPOWPFSGL-LBPRGKRZSA-N 0 0 423.311 4.203 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1[N+](=O)[O-] ZINC000433759012 859879456 /nfs/dbraw/zinc/87/94/56/859879456.db2.gz PEGZEVPLUZEPTQ-FQEVSTJZSA-N 0 0 420.469 4.286 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c1[N+](=O)[O-] ZINC000433771088 859885985 /nfs/dbraw/zinc/88/59/85/859885985.db2.gz MLNVJYISIZQVTG-GDLZYMKVSA-N 0 0 418.519 4.275 20 5 HIBDRN Cn1cc(-c2cc(F)ccc2NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000433782654 859890438 /nfs/dbraw/zinc/89/04/38/859890438.db2.gz LGUNNEWOSUANMO-UHFFFAOYSA-N 0 0 403.801 4.110 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CCCc2sccc21)c1ccccc1[N+](=O)[O-] ZINC000433871655 859944187 /nfs/dbraw/zinc/94/41/87/859944187.db2.gz DSQIJIYTACGCDM-DOTOQJQBSA-N 0 0 416.499 4.275 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000433871139 859944341 /nfs/dbraw/zinc/94/43/41/859944341.db2.gz AGOANZYHCSRYLK-INIZCTEOSA-N 0 0 402.501 4.352 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccccc1[N+](=O)[O-] ZINC000433871657 859944493 /nfs/dbraw/zinc/94/44/93/859944493.db2.gz DSQIJIYTACGCDM-NVXWUHKLSA-N 0 0 416.499 4.275 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)CC(=O)c2ccco2)cc1 ZINC000433934058 859982898 /nfs/dbraw/zinc/98/28/98/859982898.db2.gz XQLKORWTIAPKBC-AWEZNQCLSA-N 0 0 424.409 4.380 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)c1[N+](=O)[O-] ZINC000433944805 859992560 /nfs/dbraw/zinc/99/25/60/859992560.db2.gz YLEPKRGYOUQXSP-UHFFFAOYSA-N 0 0 423.401 4.419 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000433947173 859995408 /nfs/dbraw/zinc/99/54/08/859995408.db2.gz APXIWXINUUULFS-UHFFFAOYSA-N 0 0 422.363 4.215 20 5 HIBDRN Cc1ccc([C@@]2(C)CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)cc1 ZINC000433949652 859997077 /nfs/dbraw/zinc/99/70/77/859997077.db2.gz LNMOUPWMIQTBLC-DEOSSOPVSA-N 0 0 407.514 4.310 20 5 HIBDRN CCOc1ccc2c(c1)CCN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000434101399 860105913 /nfs/dbraw/zinc/10/59/13/860105913.db2.gz GOPYVKPRLYUYDF-UHFFFAOYSA-N 0 0 409.467 4.316 20 5 HIBDRN CC(C)[C@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000434169651 860163928 /nfs/dbraw/zinc/16/39/28/860163928.db2.gz KQKWERYVHNEMEH-PXNSSMCTSA-N 0 0 410.518 4.396 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000434180459 860173453 /nfs/dbraw/zinc/17/34/53/860173453.db2.gz CDZNHBGDODGYGA-KRWDZBQOSA-N 0 0 414.412 4.433 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c1[N+](=O)[O-] ZINC000434191801 860180041 /nfs/dbraw/zinc/18/00/41/860180041.db2.gz QQLMJGWAPBALKH-UHFFFAOYSA-N 0 0 415.837 4.321 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NC2(c3ccc(Br)cc3)CCC2)c1[N+](=O)[O-] ZINC000434228229 860213313 /nfs/dbraw/zinc/21/33/13/860213313.db2.gz MKZZENZCJVEEGO-UHFFFAOYSA-N 0 0 407.268 4.013 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)C3CCC(CO)CC3)cc2[N+](=O)[O-])n1 ZINC000434260386 860237456 /nfs/dbraw/zinc/23/74/56/860237456.db2.gz PNEJBIUNQPDIFP-UHFFFAOYSA-N 0 0 421.544 4.134 20 5 HIBDRN CC[C@@H](NC(=O)N1CCC(c2ncc3n2CCCC3)CC1)c1cccc([N+](=O)[O-])c1 ZINC000434304853 860267374 /nfs/dbraw/zinc/26/73/74/860267374.db2.gz IZJLWVFPGVZTSC-HXUWFJFHSA-N 0 0 411.506 4.168 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000434319900 860279960 /nfs/dbraw/zinc/27/99/60/860279960.db2.gz WSXNVLIATKIXJM-WBMJQRKESA-N 0 0 420.453 4.262 20 5 HIBDRN CSc1ccc(C(=O)NCc2nccn2CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000434370949 860317738 /nfs/dbraw/zinc/31/77/38/860317738.db2.gz CEDKYSJPJGEVLU-UHFFFAOYSA-N 0 0 410.499 4.076 20 5 HIBDRN Cc1ccc(-c2[nH]nc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2C)o1 ZINC000434431710 860348443 /nfs/dbraw/zinc/34/84/43/860348443.db2.gz IAVJCTDNSBJEFS-UHFFFAOYSA-N 0 0 412.449 4.393 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000434495670 860372739 /nfs/dbraw/zinc/37/27/39/860372739.db2.gz YCKHFMPOIXYHDX-LJQANCHMSA-N 0 0 408.502 4.185 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2csc(-c3cccs3)n2)ccc1[N+](=O)[O-] ZINC000434637343 860442544 /nfs/dbraw/zinc/44/25/44/860442544.db2.gz MVKQPKWIXFDGEY-UHFFFAOYSA-N 0 0 424.525 4.294 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2nc(-c3cccs3)oc2C)ccc1[N+](=O)[O-] ZINC000434640337 860442563 /nfs/dbraw/zinc/44/25/63/860442563.db2.gz JRGKXDRGCPCERQ-UHFFFAOYSA-N 0 0 422.484 4.133 20 5 HIBDRN COc1ccc(Cl)cc1-c1nc(SCc2nc3cc([N+](=O)[O-])ccc3o2)n[nH]1 ZINC000434809398 860504184 /nfs/dbraw/zinc/50/41/84/860504184.db2.gz OGUHQBBQVFHOHW-UHFFFAOYSA-N 0 0 417.834 4.475 20 5 HIBDRN CNC(=O)Cc1nc(CNc2cc([N+](=O)[O-])ccc2Sc2cccs2)cs1 ZINC000434880816 860531628 /nfs/dbraw/zinc/53/16/28/860531628.db2.gz QHIREKPOYXNDMY-UHFFFAOYSA-N 0 0 420.541 4.165 20 5 HIBDRN CC(C)n1cc2cc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)ccc2n1 ZINC000434912252 860551722 /nfs/dbraw/zinc/55/17/22/860551722.db2.gz JJTLZVOITGIZLP-UHFFFAOYSA-N 0 0 405.414 4.091 20 5 HIBDRN CCn1c(COc2ccc(C)cc2)nnc1Sc1ncc(Cl)cc1[N+](=O)[O-] ZINC000434948024 860569571 /nfs/dbraw/zinc/56/95/71/860569571.db2.gz SGVMBDSLPGQLRK-UHFFFAOYSA-N 0 0 405.867 4.293 20 5 HIBDRN C[C@](O)(CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CC1 ZINC000467755619 881569195 /nfs/dbraw/zinc/56/91/95/881569195.db2.gz CCXIWRLWHZALCW-IBGZPJMESA-N 0 0 406.891 4.290 20 5 HIBDRN CN(C)C(=O)Nc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Cl)c1 ZINC000435254800 860705360 /nfs/dbraw/zinc/70/53/60/860705360.db2.gz CCGSBCRDSPFLKT-UHFFFAOYSA-N 0 0 416.865 4.147 20 5 HIBDRN COCC[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000435322617 860733926 /nfs/dbraw/zinc/73/39/26/860733926.db2.gz FIZQFTXEJQUTPC-GFCCVEGCSA-N 0 0 412.240 4.158 20 5 HIBDRN COc1cccc2c1CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C2 ZINC000435322687 860734933 /nfs/dbraw/zinc/73/49/33/860734933.db2.gz FXKUTWDOQIOHBU-UHFFFAOYSA-N 0 0 420.263 4.265 20 5 HIBDRN CSc1cc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)ccn1 ZINC000435323141 860734937 /nfs/dbraw/zinc/73/49/37/860734937.db2.gz JXYJWTZDMQMICR-UHFFFAOYSA-N 0 0 411.281 4.104 20 5 HIBDRN Cc1c(NC(=O)N2CCS[C@H](C(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435324170 860735458 /nfs/dbraw/zinc/73/54/58/860735458.db2.gz TVYNCCAZFOOKKW-AWEZNQCLSA-N 0 0 402.314 4.271 20 5 HIBDRN CCO[C@H]1C[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C12CCC2 ZINC000435326867 860738289 /nfs/dbraw/zinc/73/82/89/860738289.db2.gz FCXJOJCUFDHNLY-CABCVRRESA-N 0 0 412.284 4.135 20 5 HIBDRN Cc1c(NC(=O)N(Cc2cccnc2)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435330819 860742436 /nfs/dbraw/zinc/74/24/36/860742436.db2.gz WPEBKYIBBOLZKC-UHFFFAOYSA-N 0 0 405.252 4.257 20 5 HIBDRN Cc1c(NC(=O)N2CCOC[C@@H]2c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000435333461 860743985 /nfs/dbraw/zinc/74/39/85/860743985.db2.gz PVCHWXMMDWAUFN-QGZVFWFLSA-N 0 0 420.263 4.271 20 5 HIBDRN Cc1nc[nH]c1CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467759633 881576317 /nfs/dbraw/zinc/57/63/17/881576317.db2.gz PNDAFXUEJBEHTP-UHFFFAOYSA-N 0 0 402.863 4.361 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000435369624 860767209 /nfs/dbraw/zinc/76/72/09/860767209.db2.gz FXOSYBCKLNHHHI-CYBMUJFWSA-N 0 0 400.822 4.148 20 5 HIBDRN COc1cc(OCC(=O)Nc2ccc(Sc3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000435377965 860774681 /nfs/dbraw/zinc/77/46/81/860774681.db2.gz BPUQVWLTLSNACW-UHFFFAOYSA-N 0 0 411.439 4.167 20 5 HIBDRN O=C(CCNC(=O)c1ccco1)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435441966 860799955 /nfs/dbraw/zinc/79/99/55/860799955.db2.gz FSSHWTZZXSULAW-UHFFFAOYSA-N 0 0 417.468 4.159 20 5 HIBDRN CC(C)(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435496279 860822098 /nfs/dbraw/zinc/82/20/98/860822098.db2.gz KABMEPBBIMJAAA-UHFFFAOYSA-N 0 0 407.517 4.298 20 5 HIBDRN C[C@@H]1CCCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435500687 860824189 /nfs/dbraw/zinc/82/41/89/860824189.db2.gz LZMMKOHYEGYIOY-GFCCVEGCSA-N 0 0 405.501 4.147 20 5 HIBDRN C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435511990 860830364 /nfs/dbraw/zinc/83/03/64/860830364.db2.gz SQCWXFNEGUPGPM-GXTWGEPZSA-N 0 0 419.528 4.441 20 5 HIBDRN O=C(NCc1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435515931 860833863 /nfs/dbraw/zinc/83/38/63/860833863.db2.gz JQCSQPMNCLBMSI-UHFFFAOYSA-N 0 0 419.509 4.124 20 5 HIBDRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(OC)c3[N+](=O)[O-])cc2s1 ZINC000435549280 860864186 /nfs/dbraw/zinc/86/41/86/860864186.db2.gz UTWZMEKXCWLDCZ-UHFFFAOYSA-N 0 0 414.443 4.204 20 5 HIBDRN COc1cccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)c1[N+](=O)[O-] ZINC000435555802 860874485 /nfs/dbraw/zinc/87/44/85/860874485.db2.gz ZODRVWAQWGJZKP-UHFFFAOYSA-N 0 0 403.438 4.418 20 5 HIBDRN Cc1nn(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1-c1ccccc1 ZINC000435569994 860891164 /nfs/dbraw/zinc/89/11/64/860891164.db2.gz UPBBRXHRAPKWOD-UHFFFAOYSA-N 0 0 402.357 4.007 20 5 HIBDRN COc1ccc(NC(=O)c2cc(Cl)cc(Br)c2F)c([N+](=O)[O-])c1 ZINC000435668575 860947445 /nfs/dbraw/zinc/94/74/45/860947445.db2.gz AKDDETMZLUPROS-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)ccc1[N+](=O)[O-] ZINC000435679212 860960537 /nfs/dbraw/zinc/96/05/37/860960537.db2.gz XAYBQSPVLPYQAQ-UHFFFAOYSA-N 0 0 417.531 4.442 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1C ZINC000467783234 881604231 /nfs/dbraw/zinc/60/42/31/881604231.db2.gz AJNIDQJROKJMTI-INIZCTEOSA-N 0 0 411.483 4.313 20 5 HIBDRN O=C(N[C@H]1CCc2ccccc2C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435817588 861081603 /nfs/dbraw/zinc/08/16/03/861081603.db2.gz JGSPQUQURUBCIK-INIZCTEOSA-N 0 0 404.416 4.247 20 5 HIBDRN CCOC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000435821126 861085203 /nfs/dbraw/zinc/08/52/03/861085203.db2.gz AICRZNNJPKGKMZ-UHFFFAOYSA-N 0 0 422.387 4.389 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000467790128 881611951 /nfs/dbraw/zinc/61/19/51/881611951.db2.gz VXFGYXUAHWBCAZ-UHFFFAOYSA-N 0 0 422.460 4.404 20 5 HIBDRN CC(C)C1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 ZINC000435831294 861094905 /nfs/dbraw/zinc/09/49/05/861094905.db2.gz OZXCAOXZEDYFFK-UHFFFAOYSA-N 0 0 419.528 4.298 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000435831397 861094920 /nfs/dbraw/zinc/09/49/20/861094920.db2.gz QDTFUWDGBVTJEM-UHFFFAOYSA-N 0 0 407.376 4.170 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccccc2)C2Cc3ccccc3C2)s1 ZINC000467789574 881612334 /nfs/dbraw/zinc/61/23/34/881612334.db2.gz SZQDKCXLDAWKTA-UHFFFAOYSA-N 0 0 400.481 4.019 20 5 HIBDRN Cc1cccc(OCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000435832049 861095733 /nfs/dbraw/zinc/09/57/33/861095733.db2.gz YIUMMRBLVMJQTC-UHFFFAOYSA-N 0 0 408.404 4.077 20 5 HIBDRN C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc2c(c1)OCCO2 ZINC000435834850 861096703 /nfs/dbraw/zinc/09/67/03/861096703.db2.gz KITBFEIRQRJPIR-ZDUSSCGKSA-N 0 0 418.424 4.083 20 5 HIBDRN O=C(NCCCOc1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435873218 861133316 /nfs/dbraw/zinc/13/33/16/861133316.db2.gz UKCCOFPYHSKXSN-UHFFFAOYSA-N 0 0 408.404 4.158 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000435879281 861137501 /nfs/dbraw/zinc/13/75/01/861137501.db2.gz JCJMTHQOYOLOHD-QFIPXVFZSA-N 0 0 402.425 4.034 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(F)cc(Br)cc1Cl ZINC000435891841 861148072 /nfs/dbraw/zinc/14/80/72/861148072.db2.gz HKWJGKMRUXLKGN-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN COc1ccc(Oc2ccc(CCNC(=O)c3cccc(OC)c3[N+](=O)[O-])cc2)cc1 ZINC000435910344 861172919 /nfs/dbraw/zinc/17/29/19/861172919.db2.gz WPTYAROXRXJQAN-UHFFFAOYSA-N 0 0 422.437 4.377 20 5 HIBDRN COc1cccc(C(=O)N(Cc2csc(Br)c2)C2CC2)c1[N+](=O)[O-] ZINC000435918135 861178726 /nfs/dbraw/zinc/17/87/26/861178726.db2.gz UAZRVUDKQZLBRI-UHFFFAOYSA-N 0 0 411.277 4.232 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000437757729 863079704 /nfs/dbraw/zinc/07/97/04/863079704.db2.gz KGODNCHWDCTERU-JCNLHEQBSA-N 0 0 407.392 4.402 20 5 HIBDRN Cc1cnn(-c2ccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2F)c1 ZINC000437762667 863082854 /nfs/dbraw/zinc/08/28/54/863082854.db2.gz VIIWDCZAXGMTLC-UHFFFAOYSA-N 0 0 409.421 4.425 20 5 HIBDRN O=C(Nc1ccc(N2CCCC2=O)c(F)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437786472 863103578 /nfs/dbraw/zinc/10/35/78/863103578.db2.gz CMFWPFWQPKALEY-UHFFFAOYSA-N 0 0 412.421 4.057 20 5 HIBDRN C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437830071 863180741 /nfs/dbraw/zinc/18/07/41/863180741.db2.gz SVXAQQUVWFXYJY-VBKZILBWSA-N 0 0 418.877 4.303 20 5 HIBDRN O=C(NCc1cccnc1OC1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437924682 863301371 /nfs/dbraw/zinc/30/13/71/863301371.db2.gz FISMTNISATZHSB-UHFFFAOYSA-N 0 0 410.474 4.185 20 5 HIBDRN CC(C)NC(=O)Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437926043 863302165 /nfs/dbraw/zinc/30/21/65/863302165.db2.gz JKJWEURJNYDTDQ-UHFFFAOYSA-N 0 0 410.352 4.396 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(-n2cccn2)cc1 ZINC000437968320 863337670 /nfs/dbraw/zinc/33/76/70/863337670.db2.gz GTIWHZWPFYTOMY-MRXNPFEDSA-N 0 0 405.458 4.216 20 5 HIBDRN CC(C)(C)c1csc(CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000437978843 863344993 /nfs/dbraw/zinc/34/49/93/863344993.db2.gz PQHNVKXVNOLPSA-UHFFFAOYSA-N 0 0 402.520 4.266 20 5 HIBDRN O=C(NCc1ccccc1OCC(F)(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438013754 863373886 /nfs/dbraw/zinc/37/38/86/863373886.db2.gz ASZKGAZVYPMSDN-UHFFFAOYSA-N 0 0 423.391 4.410 20 5 HIBDRN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438044481 863407569 /nfs/dbraw/zinc/40/75/69/863407569.db2.gz MTCYYFJTGZEVIZ-UNMCSNQZSA-N 0 0 409.486 4.407 20 5 HIBDRN C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438146932 863567681 /nfs/dbraw/zinc/56/76/81/863567681.db2.gz GKEZETXGEKTZSQ-OAVHHTNSSA-N 0 0 424.375 4.219 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000438237981 863685799 /nfs/dbraw/zinc/68/57/99/863685799.db2.gz UJNYJSFHYUKWRI-XOBRGWDASA-N 0 0 418.877 4.303 20 5 HIBDRN CC1(C)CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000438473159 863891965 /nfs/dbraw/zinc/89/19/65/863891965.db2.gz CJDKSWRGJPYPEW-IBGZPJMESA-N 0 0 417.893 4.093 20 5 HIBDRN COc1ccc(CC(C)(C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000438514497 863939830 /nfs/dbraw/zinc/93/98/30/863939830.db2.gz KSNFKWIXWDDKLV-UHFFFAOYSA-N 0 0 414.505 4.301 20 5 HIBDRN COc1ccc(CC(C)(C)NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000438526502 863951212 /nfs/dbraw/zinc/95/12/12/863951212.db2.gz DXDVWXHJGUJAJY-UHFFFAOYSA-N 0 0 406.866 4.163 20 5 HIBDRN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000438546451 863974134 /nfs/dbraw/zinc/97/41/34/863974134.db2.gz MFBNAIOILWRGAV-NXEZZACHSA-N 0 0 409.202 4.456 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)c2ccncc2OC)cc1 ZINC000438611999 864037896 /nfs/dbraw/zinc/03/78/96/864037896.db2.gz HQYJLHPNOZMBMH-AWEZNQCLSA-N 0 0 423.425 4.290 20 5 HIBDRN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438618542 864043872 /nfs/dbraw/zinc/04/38/72/864043872.db2.gz AORGNEGLGUTBOM-OAHLLOKOSA-N 0 0 409.211 4.092 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000438632585 864061587 /nfs/dbraw/zinc/06/15/87/864061587.db2.gz DOTOJDUFLVLRLI-INIZCTEOSA-N 0 0 405.248 4.262 20 5 HIBDRN Cc1c(C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)cccc1[N+](=O)[O-] ZINC000438643014 864079901 /nfs/dbraw/zinc/07/99/01/864079901.db2.gz SKUAGGUNMMTJGU-MRXNPFEDSA-N 0 0 405.248 4.262 20 5 HIBDRN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000438662981 864112803 /nfs/dbraw/zinc/11/28/03/864112803.db2.gz ZZEMDRMDZWTTOD-UHFFFAOYSA-N 0 0 423.391 4.298 20 5 HIBDRN Cn1cc(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438676343 864137288 /nfs/dbraw/zinc/13/72/88/864137288.db2.gz DBIKRIHBXZXUBO-HKUYNNGSSA-N 0 0 404.470 4.137 20 5 HIBDRN Cc1ccc(NC(=O)Cc2noc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 ZINC000438720558 864201620 /nfs/dbraw/zinc/20/16/20/864201620.db2.gz AOYONQXWAVTHOD-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000467883140 881744309 /nfs/dbraw/zinc/74/43/09/881744309.db2.gz MGKPQWRGWCHYHS-UHFFFAOYSA-N 0 0 423.856 4.094 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)cc1[N+](=O)[O-] ZINC000438767753 864262621 /nfs/dbraw/zinc/26/26/21/864262621.db2.gz ALPRCMWJGPGRRA-UHFFFAOYSA-N 0 0 421.500 4.311 20 5 HIBDRN COC(=O)c1cccc(-c2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000438822920 864316018 /nfs/dbraw/zinc/31/60/18/864316018.db2.gz BHZGREHVSTXAHM-JTQLQIEISA-N 0 0 403.778 4.225 20 5 HIBDRN CCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000438829137 864323511 /nfs/dbraw/zinc/32/35/11/864323511.db2.gz JLAGEQNMIUTSFT-LBPRGKRZSA-N 0 0 412.273 4.063 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[C@@]12CCc1ccccc12 ZINC000438887156 864371137 /nfs/dbraw/zinc/37/11/37/864371137.db2.gz YJMIGTHYLODORC-OXQOHEQNSA-N 0 0 419.403 4.046 20 5 HIBDRN Cc1c(CC(=O)N[C@H](C)CCc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000438894125 864374327 /nfs/dbraw/zinc/37/43/27/864374327.db2.gz FFQLLZQCAOCINF-CYBMUJFWSA-N 0 0 405.292 4.346 20 5 HIBDRN CCOC(=O)[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1cccc(C)c1C ZINC000438935312 864412511 /nfs/dbraw/zinc/41/25/11/864412511.db2.gz JGBVVKLAVJWUTR-SFHVURJKSA-N 0 0 404.850 4.208 20 5 HIBDRN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000438966438 864432913 /nfs/dbraw/zinc/43/29/13/864432913.db2.gz LBUMTMQGWJCTKJ-UHFFFAOYSA-N 0 0 423.513 4.195 20 5 HIBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(=O)OC ZINC000438970675 864437476 /nfs/dbraw/zinc/43/74/76/864437476.db2.gz HMZZCWCUXBBLTG-OAHLLOKOSA-N 0 0 408.863 4.081 20 5 HIBDRN CC(C)c1ccc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1[N+](=O)[O-] ZINC000438973342 864438635 /nfs/dbraw/zinc/43/86/35/864438635.db2.gz MSRJGJAINGKFTH-UHFFFAOYSA-N 0 0 418.453 4.296 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000438975648 864439608 /nfs/dbraw/zinc/43/96/08/864439608.db2.gz QXNWPNDQOGQJIB-UHFFFAOYSA-N 0 0 424.478 4.058 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000439074664 864527244 /nfs/dbraw/zinc/52/72/44/864527244.db2.gz FPKZATHCLVIRNT-UHFFFAOYSA-N 0 0 424.844 4.385 20 5 HIBDRN Cc1csc(-c2cccc(NC(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)c2)n1 ZINC000439082903 864531085 /nfs/dbraw/zinc/53/10/85/864531085.db2.gz BARUHGCZOZLBLL-UHFFFAOYSA-N 0 0 410.455 4.221 20 5 HIBDRN CCOCCOCc1cccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000439104085 864542072 /nfs/dbraw/zinc/54/20/72/864542072.db2.gz YPFNOHJOPNKTIH-UHFFFAOYSA-N 0 0 406.866 4.040 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccc(SC)cc1 ZINC000439104557 864542243 /nfs/dbraw/zinc/54/22/43/864542243.db2.gz AOPATBGHFLMCGJ-OAHLLOKOSA-N 0 0 422.890 4.313 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CC(=O)N1CCCCC1)c1ccccc1 ZINC000439105614 864543544 /nfs/dbraw/zinc/54/35/44/864543544.db2.gz DIAFIZJANROSGA-UHFFFAOYSA-N 0 0 415.877 4.216 20 5 HIBDRN COc1ccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1Br ZINC000439110804 864547018 /nfs/dbraw/zinc/54/70/18/864547018.db2.gz WETXQHNUSMYCAQ-UHFFFAOYSA-N 0 0 413.655 4.258 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000439112272 864550486 /nfs/dbraw/zinc/55/04/86/864550486.db2.gz CGCAVLRDELFIDO-SFHVURJKSA-N 0 0 417.462 4.011 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439138580 864571087 /nfs/dbraw/zinc/57/10/87/864571087.db2.gz GHDYSVRNVWHMBT-UHFFFAOYSA-N 0 0 412.877 4.348 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000439177291 864606041 /nfs/dbraw/zinc/60/60/41/864606041.db2.gz KSSZSCJRUCRJHQ-CQSZACIVSA-N 0 0 411.845 4.394 20 5 HIBDRN CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC000439251853 864669773 /nfs/dbraw/zinc/66/97/73/864669773.db2.gz XMYXPBRIZKTLJI-UHFFFAOYSA-N 0 0 424.844 4.264 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc[nH]n4)cc3F)cc2[N+](=O)[O-])CC1 ZINC000439266323 864685687 /nfs/dbraw/zinc/68/56/87/864685687.db2.gz BMKZBOVWQXKUCN-UHFFFAOYSA-N 0 0 424.436 4.008 20 5 HIBDRN COc1ccc(C(=O)Nc2ncc(C(F)(F)F)cc2Br)cc1[N+](=O)[O-] ZINC000439284355 864703643 /nfs/dbraw/zinc/70/36/43/864703643.db2.gz MIKRUXPGQLWTTJ-UHFFFAOYSA-N 0 0 420.141 4.032 20 5 HIBDRN CC(=O)c1cccc(C(F)(F)F)c1OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000439284429 864703790 /nfs/dbraw/zinc/70/37/90/864703790.db2.gz ZBAMWOCAFQQVOA-UHFFFAOYSA-N 0 0 407.304 4.445 20 5 HIBDRN Cc1cnc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000439301418 864729295 /nfs/dbraw/zinc/72/92/95/864729295.db2.gz GSVILTPQHPOAIU-UHFFFAOYSA-N 0 0 403.442 4.213 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000439381475 864812044 /nfs/dbraw/zinc/81/20/44/864812044.db2.gz DNSDLYKXEFRCKZ-VXAPYIKBSA-N 0 0 415.412 4.407 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000439401119 864819304 /nfs/dbraw/zinc/81/93/04/864819304.db2.gz HKDQDMJEFWMDLQ-PBHICJAKSA-N 0 0 411.458 4.490 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000439565341 864889405 /nfs/dbraw/zinc/88/94/05/864889405.db2.gz YJBNAMMWYOMMKD-OCCSQVGLSA-N 0 0 410.396 4.340 20 5 HIBDRN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc([N+](=O)[O-])n2C)n1 ZINC000439655594 864982667 /nfs/dbraw/zinc/98/26/67/864982667.db2.gz YSFOPSRINZLTRZ-UHFFFAOYSA-N 0 0 403.826 4.088 20 5 HIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000439657682 864984609 /nfs/dbraw/zinc/98/46/09/864984609.db2.gz FZPCBWQCXJPCSA-UHFFFAOYSA-N 0 0 420.473 4.287 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000467966860 881825891 /nfs/dbraw/zinc/82/58/91/881825891.db2.gz BTYFSDPNGHJBQY-UHFFFAOYSA-N 0 0 419.363 4.164 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000467970567 881827695 /nfs/dbraw/zinc/82/76/95/881827695.db2.gz QJPQNXUMNPPIME-UHFFFAOYSA-N 0 0 410.405 4.072 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000439719873 865054873 /nfs/dbraw/zinc/05/48/73/865054873.db2.gz PJFKTHZMODHQRH-UHFFFAOYSA-N 0 0 400.450 4.067 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000439756093 865083423 /nfs/dbraw/zinc/08/34/23/865083423.db2.gz LLSNIFYBWCWZMY-SFHVURJKSA-N 0 0 419.865 4.099 20 5 HIBDRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000439804939 865123007 /nfs/dbraw/zinc/12/30/07/865123007.db2.gz JPCUIYOZEDVAAT-LIRRHRJNSA-N 0 0 416.547 4.041 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000439876398 865187842 /nfs/dbraw/zinc/18/78/42/865187842.db2.gz FVIRZMRFZTXHPZ-QGZVFWFLSA-N 0 0 413.430 4.134 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Nc2cccc(OC)c2)CC1 ZINC000439881633 865193996 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416.481 4.291 20 5 HIBDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440012404 865310150 /nfs/dbraw/zinc/31/01/50/865310150.db2.gz KYHILQUSUIQKAA-IBGZPJMESA-N 0 0 421.291 4.161 20 5 HIBDRN CC[C@]1(C)CN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CCO1 ZINC000468067925 881884712 /nfs/dbraw/zinc/88/47/12/881884712.db2.gz GVLVZCFHZQCFQS-GOSISDBHSA-N 0 0 407.517 4.152 20 5 HIBDRN O=C([C@H]1C[C@]12CCCc1ccccc12)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000440336057 865616326 /nfs/dbraw/zinc/61/63/26/865616326.db2.gz DBUFSKKNINBQFP-VWNXMTODSA-N 0 0 406.482 4.259 20 5 HIBDRN Cc1cccn2cc(COc3ccccc3C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)nc12 ZINC000440404421 865696120 /nfs/dbraw/zinc/69/61/20/865696120.db2.gz GADHFFVMMAHECV-UHFFFAOYSA-N 0 0 417.425 4.086 20 5 HIBDRN COC(=O)c1ccc2c(c1)nc(-c1ccc(Oc3cccc([N+](=O)[O-])c3)cc1)[nH]c2=O ZINC000440501367 865799443 /nfs/dbraw/zinc/79/94/43/865799443.db2.gz DMJNTKZCGAYBBT-UHFFFAOYSA-N 0 0 417.377 4.077 20 5 HIBDRN CC(=O)Nc1ccc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000440616744 865840751 /nfs/dbraw/zinc/84/07/51/865840751.db2.gz TUYDWPZBUQLRFL-UHFFFAOYSA-N 0 0 403.438 4.329 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000440620186 865843104 /nfs/dbraw/zinc/84/31/04/865843104.db2.gz YFYVOLVMJZODCR-ZIAGYGMSSA-N 0 0 414.849 4.079 20 5 HIBDRN Cc1cccc(-c2nc(CC(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cs2)c1 ZINC000440621427 865843440 /nfs/dbraw/zinc/84/34/40/865843440.db2.gz RADSMLFJFLPSDQ-UHFFFAOYSA-N 0 0 404.451 4.756 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(CC(F)F)c1cccc(Cl)c1 ZINC000440667871 865860694 /nfs/dbraw/zinc/86/06/94/865860694.db2.gz JZWRHKNYWUVHML-UHFFFAOYSA-N 0 0 406.776 4.346 20 5 HIBDRN Cc1ccc(Oc2ccccc2)c(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC000440704399 865869943 /nfs/dbraw/zinc/86/99/43/865869943.db2.gz VOUPDSKBNOXMPU-UHFFFAOYSA-N 0 0 419.393 4.242 20 5 HIBDRN CC[C@@](C)(NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 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867310061 /nfs/dbraw/zinc/31/00/61/867310061.db2.gz NVWIRRSKNOYITG-CYBMUJFWSA-N 0 0 423.391 4.214 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000442387820 867374063 /nfs/dbraw/zinc/37/40/63/867374063.db2.gz TZFUHAIWGYWTMF-BJOOFOGMSA-N 0 0 401.850 4.009 20 5 HIBDRN C[C@@H]1C[C@@H]1[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000442400764 867381358 /nfs/dbraw/zinc/38/13/58/867381358.db2.gz YWBIMEUFTRHUPV-OVWKYPIYSA-N 0 0 422.268 4.354 20 5 HIBDRN O=C(NC[C@@H](O)C1CCCCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442651358 867589960 /nfs/dbraw/zinc/58/99/60/867589960.db2.gz QEZKTNQNFRGANX-GOSISDBHSA-N 0 0 400.500 4.417 20 5 HIBDRN O=[N+]([O-])c1cccc(OCc2nc(C3(c4cccc(Br)c4)CC3)no2)c1 ZINC000442690654 867625139 /nfs/dbraw/zinc/62/51/39/867625139.db2.gz KDBOGKNYHCLBOS-UHFFFAOYSA-N 0 0 416.231 4.399 20 5 HIBDRN COC(=O)c1ccnc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 ZINC000442723200 867648213 /nfs/dbraw/zinc/64/82/13/867648213.db2.gz ONGDITIFUHVTLA-UHFFFAOYSA-N 0 0 409.423 4.180 20 5 HIBDRN O=C(N[C@H](CO)Cc1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442752902 867663714 /nfs/dbraw/zinc/66/37/14/867663714.db2.gz FLQGRQOZCKPBKA-KRWDZBQOSA-N 0 0 408.479 4.079 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(F)cc(F)c2Br)cc1C ZINC000442842766 867695205 /nfs/dbraw/zinc/69/52/05/867695205.db2.gz IPACTPXKLNUJPN-UHFFFAOYSA-N 0 0 421.219 4.053 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1nc(-c2ccccc2F)cs1 ZINC000468222178 882110089 /nfs/dbraw/zinc/11/00/89/882110089.db2.gz WTQBEKSLXFLCTQ-UHFFFAOYSA-N 0 0 405.838 4.370 20 5 HIBDRN CC1(c2ccc(Br)cc2)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000442975809 867773100 /nfs/dbraw/zinc/77/31/00/867773100.db2.gz VKJYUYCUXFTNIT-UHFFFAOYSA-N 0 0 418.291 4.133 20 5 HIBDRN COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000443010976 867791448 /nfs/dbraw/zinc/79/14/48/867791448.db2.gz CPGFQBAVKAFJCJ-UHFFFAOYSA-N 0 0 412.467 4.307 20 5 HIBDRN C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443194594 867869222 /nfs/dbraw/zinc/86/92/22/867869222.db2.gz PHBKTXLMSGYBRT-QMMMGPOBSA-N 0 0 406.204 4.170 20 5 HIBDRN CCCCc1nc(CS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cs1 ZINC000443196933 867871102 /nfs/dbraw/zinc/87/11/02/867871102.db2.gz MLHXQIXWYXKFDL-UHFFFAOYSA-N 0 0 419.322 4.130 20 5 HIBDRN C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Br)s1 ZINC000443335705 867910011 /nfs/dbraw/zinc/91/00/11/867910011.db2.gz OYBTZTOHZAUJLU-SECBINFHSA-N 0 0 409.265 4.320 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])cc1OCC ZINC000443343891 867916294 /nfs/dbraw/zinc/91/62/94/867916294.db2.gz KFWYSHPOWQENFP-AWEZNQCLSA-N 0 0 419.409 4.177 20 5 HIBDRN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)[C@H]1CO ZINC000443397673 867953791 /nfs/dbraw/zinc/95/37/91/867953791.db2.gz ZLSHTEYWQLPELJ-SJCJKPOMSA-N 0 0 406.891 4.242 20 5 HIBDRN Cc1csc(-c2cccc(S(=O)(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)c2)n1 ZINC000443397980 867957136 /nfs/dbraw/zinc/95/71/36/867957136.db2.gz HQBOJGUZXVKAEC-UHFFFAOYSA-N 0 0 403.485 4.444 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(Br)s1 ZINC000443544923 868102531 /nfs/dbraw/zinc/10/25/31/868102531.db2.gz XSTFXPIDDRILEX-MRVPVSSYSA-N 0 0 400.254 4.310 20 5 HIBDRN CCN(CC)C(=O)CS[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000443555372 868109967 /nfs/dbraw/zinc/10/99/67/868109967.db2.gz XCILFVXJVBWQKE-FQEVSTJZSA-N 0 0 415.515 4.185 20 5 HIBDRN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000443557231 868112698 /nfs/dbraw/zinc/11/26/98/868112698.db2.gz HFCPECOBYBUIHB-UHFFFAOYSA-N 0 0 411.336 4.052 20 5 HIBDRN CC[C@]1(C)Oc2ccc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2O1 ZINC000443565038 868118999 /nfs/dbraw/zinc/11/89/99/868118999.db2.gz DZOWKPGAFULAEU-OAQYLSRUSA-N 0 0 409.398 4.058 20 5 HIBDRN Cc1nc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)s1 ZINC000443635161 868215639 /nfs/dbraw/zinc/21/56/39/868215639.db2.gz VNMHRJPKJVOVGC-UHFFFAOYSA-N 0 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CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443778127 868329281 /nfs/dbraw/zinc/32/92/81/868329281.db2.gz GUAZVGMOVREXKQ-UHFFFAOYSA-N 0 0 411.483 4.009 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443825096 868357249 /nfs/dbraw/zinc/35/72/49/868357249.db2.gz GZQREBFDXDFNAF-GFCCVEGCSA-N 0 0 414.393 4.295 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000443850956 868381093 /nfs/dbraw/zinc/38/10/93/868381093.db2.gz MWKALAHLSAZENP-ZDUSSCGKSA-N 0 0 414.405 4.497 20 5 HIBDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443858421 868390502 /nfs/dbraw/zinc/39/05/02/868390502.db2.gz KLNHRMZXDSAPEG-UHFFFAOYSA-N 0 0 409.364 4.313 20 5 HIBDRN CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000443860334 868393361 /nfs/dbraw/zinc/39/33/61/868393361.db2.gz YXSWXBWGFPJMKR-UHFFFAOYSA-N 0 0 404.142 4.048 20 5 HIBDRN COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000443922346 868459108 /nfs/dbraw/zinc/45/91/08/868459108.db2.gz QQYFEQVZFBXETI-CYBMUJFWSA-N 0 0 404.488 4.037 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1nccn1CCCc1ccccc1 ZINC000443943792 868480231 /nfs/dbraw/zinc/48/02/31/868480231.db2.gz FFXIXSYKUPIPOO-UHFFFAOYSA-N 0 0 407.474 4.363 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000443951400 868486487 /nfs/dbraw/zinc/48/64/87/868486487.db2.gz XKQMZRMAIPBWTI-UHFFFAOYSA-N 0 0 408.911 4.276 20 5 HIBDRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)ccc2NC1=O ZINC000443950696 868486848 /nfs/dbraw/zinc/48/68/48/868486848.db2.gz RLHVVTLFYIMNFO-CXAGYDPISA-N 0 0 412.446 4.204 20 5 HIBDRN COc1ccc(Br)c(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000443952031 868487900 /nfs/dbraw/zinc/48/79/00/868487900.db2.gz VTBCHDLPUQSOEM-UHFFFAOYSA-N 0 0 408.252 4.304 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000443955353 868490760 /nfs/dbraw/zinc/49/07/60/868490760.db2.gz HAUMTXDMDQJIKI-KRWDZBQOSA-N 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/nfs/dbraw/zinc/72/26/68/868722668.db2.gz SIAGVQYNDGNSQI-INIZCTEOSA-N 0 0 400.425 4.035 20 5 HIBDRN CC(C)C[C@@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCO1 ZINC000444293685 868722697 /nfs/dbraw/zinc/72/26/97/868722697.db2.gz WZGXPEXHCZXJKK-HZPDHXFCSA-N 0 0 414.452 4.283 20 5 HIBDRN Cc1cc(C2CCN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC2)[nH]n1 ZINC000444294756 868724320 /nfs/dbraw/zinc/72/43/20/868724320.db2.gz VRLBSIDRCBAHSE-UHFFFAOYSA-N 0 0 422.435 4.011 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc(-c2ccccc2)no1 ZINC000444294205 868724418 /nfs/dbraw/zinc/72/44/18/868724418.db2.gz UVKCHFDGZJBZOW-HNNXBMFYSA-N 0 0 424.460 4.265 20 5 HIBDRN CS[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(C)(C)C ZINC000444303219 868734261 /nfs/dbraw/zinc/73/42/61/868734261.db2.gz TYWZTAVUDIKOST-KRWDZBQOSA-N 0 0 404.482 4.467 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](C2CCCCC2)C1 ZINC000444312511 868742035 /nfs/dbraw/zinc/74/20/35/868742035.db2.gz 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HIBDRN O=C(NCCC[C@H]1CCCCO1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444330966 868756991 /nfs/dbraw/zinc/75/69/91/868756991.db2.gz ZDDQRBOZVKNUQO-OAHLLOKOSA-N 0 0 400.425 4.039 20 5 HIBDRN C[C@@H](C1CC1)n1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cn1 ZINC000444333318 868760113 /nfs/dbraw/zinc/76/01/13/868760113.db2.gz XEYFXXBCQZTJBG-NSHDSACASA-N 0 0 408.408 4.379 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)s1 ZINC000444358433 868785296 /nfs/dbraw/zinc/78/52/96/868785296.db2.gz ACWHJFBFNWGXST-JTQLQIEISA-N 0 0 421.276 4.096 20 5 HIBDRN O=C(Nc1ccc(C(=O)NC2CCCCC2)c(O)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000444379385 868801135 /nfs/dbraw/zinc/80/11/35/868801135.db2.gz LVUYTZPUKMYBBG-UHFFFAOYSA-N 0 0 422.441 4.097 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000444384512 868802395 /nfs/dbraw/zinc/80/23/95/868802395.db2.gz VYCJBGGAGNYAGS-NSHDSACASA-N 0 0 424.301 4.323 20 5 HIBDRN O=C(Nc1ccc(C(=O)NC2CCCCC2)c(O)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000444390452 868804925 /nfs/dbraw/zinc/80/49/25/868804925.db2.gz GCUUZWFZFRHRPI-UHFFFAOYSA-N 0 0 422.441 4.097 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000444413740 868817828 /nfs/dbraw/zinc/81/78/28/868817828.db2.gz UIKJLQLRNLLAOI-KUHUBIRLSA-N 0 0 404.850 4.006 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc2c(n1)CCCC2 ZINC000444549275 868878610 /nfs/dbraw/zinc/87/86/10/868878610.db2.gz PQFHUKFMPQEXBJ-UHFFFAOYSA-N 0 0 422.407 4.006 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000444638045 868924534 /nfs/dbraw/zinc/92/45/34/868924534.db2.gz UDFVLKKQNKGSFW-UHFFFAOYSA-N 0 0 405.241 4.126 20 5 HIBDRN Cc1nc(-c2ccccc2C)sc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444638280 868925116 /nfs/dbraw/zinc/92/51/16/868925116.db2.gz VBACAFXJOZXTKI-UHFFFAOYSA-N 0 0 407.455 4.141 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000444638632 868925427 /nfs/dbraw/zinc/92/54/27/868925427.db2.gz WQCAFDACKOUWLJ-ZIAGYGMSSA-N 0 0 405.241 4.198 20 5 HIBDRN C[C@@H]1CCC[C@@H](OCCCCCC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444639651 868925653 /nfs/dbraw/zinc/92/56/53/868925653.db2.gz ZMSMRXFDPWYKTJ-NVXWUHKLSA-N 0 0 402.495 4.243 20 5 HIBDRN COc1ccc([C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2ccc(F)cc2)cc1 ZINC000444664478 868944222 /nfs/dbraw/zinc/94/42/22/868944222.db2.gz NXGSLGUVIIWKBU-JOCHJYFZSA-N 0 0 406.417 4.498 20 5 HIBDRN Cc1cccc2nc(C3CCN(Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)CC3)oc21 ZINC000444758127 868988213 /nfs/dbraw/zinc/98/82/13/868988213.db2.gz BSXFDAPGPPCCSW-UHFFFAOYSA-N 0 0 419.441 4.474 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CC(F)(F)F)c1ccccc1C ZINC000444779773 868999797 /nfs/dbraw/zinc/99/97/97/868999797.db2.gz LOCBOAZQHBOGAW-MRXNPFEDSA-N 0 0 411.380 4.134 20 5 HIBDRN CN(Cc1c(F)cccc1Cl)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000444830480 869038269 /nfs/dbraw/zinc/03/82/69/869038269.db2.gz SWXJGAAIEFUNRE-UHFFFAOYSA-N 0 0 407.648 4.484 20 5 HIBDRN Cc1nccc(-c2cccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])c2)n1 ZINC000444853851 869056639 /nfs/dbraw/zinc/05/66/39/869056639.db2.gz VRCMVXIQFFNLEU-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN O=C(NCc1ccc(Br)s1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444858376 869060739 /nfs/dbraw/zinc/06/07/39/869060739.db2.gz MLFZDETXFNSARO-UHFFFAOYSA-N 0 0 413.296 4.435 20 5 HIBDRN CCOCCOc1c(Cl)cccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444900835 869088745 /nfs/dbraw/zinc/08/87/45/869088745.db2.gz JMFNETLJUPAGRC-UHFFFAOYSA-N 0 0 409.826 4.316 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000444912482 869098659 /nfs/dbraw/zinc/09/86/59/869098659.db2.gz PLQDCFYGQYBBOX-UHFFFAOYSA-N 0 0 407.352 4.288 20 5 HIBDRN Cc1cc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000444916552 869102133 /nfs/dbraw/zinc/10/21/33/869102133.db2.gz BVZHVZJRTPYPMW-UHFFFAOYSA-N 0 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C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445032052 869180636 /nfs/dbraw/zinc/18/06/36/869180636.db2.gz IEFBFYRDZJJKPU-JTQLQIEISA-N 0 0 422.272 4.208 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000445037748 869185814 /nfs/dbraw/zinc/18/58/14/869185814.db2.gz VCSYTXBXLIBURL-LJQANCHMSA-N 0 0 413.865 4.465 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445146584 869242734 /nfs/dbraw/zinc/24/27/34/869242734.db2.gz XZZVVPSVOSMMSV-NFBKMPQASA-N 0 0 420.415 4.220 20 5 HIBDRN Cn1ccnc1-c1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000445174206 869259300 /nfs/dbraw/zinc/25/93/00/869259300.db2.gz QXMYSTYVWQYWSS-UHFFFAOYSA-N 0 0 407.249 4.072 20 5 HIBDRN Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445180273 869263583 /nfs/dbraw/zinc/26/35/83/869263583.db2.gz AXHHXDXDABQOIK-QGZVFWFLSA-N 0 0 400.478 4.495 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000445253269 869307408 /nfs/dbraw/zinc/30/74/08/869307408.db2.gz XSYKFDYFFSPXSW-ZDUSSCGKSA-N 0 0 418.247 4.039 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000445256832 869309609 /nfs/dbraw/zinc/30/96/09/869309609.db2.gz XQKFHUHMMFUGGR-UHFFFAOYSA-N 0 0 421.276 4.474 20 5 HIBDRN O=C(Cc1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1)Nc1cccc2ncccc21 ZINC000445277735 869324909 /nfs/dbraw/zinc/32/49/09/869324909.db2.gz ATWVFRNSLVGKQO-VQHVLOKHSA-N 0 0 419.372 4.017 20 5 HIBDRN O=C(Cc1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1)Nc1cccc2ncccc21 ZINC000445287775 869338746 /nfs/dbraw/zinc/33/87/46/869338746.db2.gz DYBBJWHKWODOES-UHFFFAOYSA-N 0 0 409.789 4.028 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)N[C@@H](C)c2ccccc2)no1 ZINC000445290859 869342673 /nfs/dbraw/zinc/34/26/73/869342673.db2.gz DGQQZLAOBQNFFR-UONOGXRCSA-N 0 0 412.471 4.251 20 5 HIBDRN CC(C)(C)c1ccc(-c2nc(-c3cccc(N4CCNC4=O)c3)no2)cc1[N+](=O)[O-] ZINC000445299352 869352559 /nfs/dbraw/zinc/35/25/59/869352559.db2.gz 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Cc1cc(-c2nc(CC(=O)Nc3c(Cl)cccc3Cl)no2)ccc1[N+](=O)[O-] ZINC000445372078 869446688 /nfs/dbraw/zinc/44/66/88/869446688.db2.gz NYUDBQOOIIXJPJ-UHFFFAOYSA-N 0 0 407.213 4.441 20 5 HIBDRN CCc1ccc(-c2nc(CC(=O)Nc3ccc(F)c(Cl)c3)no2)cc1[N+](=O)[O-] ZINC000445377034 869456127 /nfs/dbraw/zinc/45/61/27/869456127.db2.gz YYUDTBMWKIYQDO-UHFFFAOYSA-N 0 0 404.785 4.181 20 5 HIBDRN COc1cc(-c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)cc(Br)c1O ZINC000445395230 869480202 /nfs/dbraw/zinc/48/02/02/869480202.db2.gz WCXNCNBMBRKUCO-SREVYHEPSA-N 0 0 418.203 4.292 20 5 HIBDRN COc1cc(-c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)cc(Br)c1O ZINC000445397661 869482761 /nfs/dbraw/zinc/48/27/61/869482761.db2.gz KRWZIWYRCREVEH-DAXSKMNVSA-N 0 0 418.203 4.292 20 5 HIBDRN CCOc1cc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)ccc1O ZINC000445426381 869509666 /nfs/dbraw/zinc/50/96/66/869509666.db2.gz JOSNLMDRZZWHAO-UHFFFAOYSA-N 0 0 413.433 4.357 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(-c4ccc(O)cc4F)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000445457090 869534726 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871961280 /nfs/dbraw/zinc/96/12/80/871961280.db2.gz PMQJPDGOTOZJLY-UHFFFAOYSA-N 0 0 401.444 4.152 20 5 HIBDRN CC(C)(OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C(F)(F)F ZINC000448134885 872010575 /nfs/dbraw/zinc/01/05/75/872010575.db2.gz ORRXUQUILFZXAJ-UHFFFAOYSA-N 0 0 410.348 4.122 20 5 HIBDRN CCCOc1cc(NC(=O)[C@H]2CCC(=O)c3cccn32)c([N+](=O)[O-])cc1OCCC ZINC000448138946 872014838 /nfs/dbraw/zinc/01/48/38/872014838.db2.gz XAVWXJRCKITHGB-MRXNPFEDSA-N 0 0 415.446 4.130 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCCC[C@@H]2Oc2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000448184827 872062503 /nfs/dbraw/zinc/06/25/03/872062503.db2.gz IYWAJVYAYJFOGW-LPHOPBHVSA-N 0 0 414.458 4.040 20 5 HIBDRN CCOC(=O)[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)Cc2ccccc21 ZINC000448197569 872082343 /nfs/dbraw/zinc/08/23/43/872082343.db2.gz FOJATOXDOSOJHR-QGZVFWFLSA-N 0 0 410.451 4.112 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000468549472 882591249 /nfs/dbraw/zinc/59/12/49/882591249.db2.gz UMNREYGLNFOGTI-YWZLYKJASA-N 0 0 412.490 4.050 20 5 HIBDRN O=C(Nc1ccnc(OCC(F)(F)F)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448342212 872287057 /nfs/dbraw/zinc/28/70/57/872287057.db2.gz PCAIFZCLGZXTDQ-UHFFFAOYSA-N 0 0 409.242 4.202 20 5 HIBDRN CC1(c2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)no2)CCCC1 ZINC000448409755 872364670 /nfs/dbraw/zinc/36/46/70/872364670.db2.gz BLWOUGSFNXTZMJ-UHFFFAOYSA-N 0 0 401.466 4.613 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000448440381 872384442 /nfs/dbraw/zinc/38/44/42/872384442.db2.gz RFACIJIMTPYFFP-GOSISDBHSA-N 0 0 411.433 4.186 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)c1 ZINC000448447801 872393163 /nfs/dbraw/zinc/39/31/63/872393163.db2.gz OQRRPNNYONICPP-UHFFFAOYSA-N 0 0 401.325 4.321 20 5 HIBDRN Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000448452705 872398007 /nfs/dbraw/zinc/39/80/07/872398007.db2.gz QLUVBATZUSOULX-FPOVZHCZSA-N 0 0 421.453 4.277 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000468559803 882609308 /nfs/dbraw/zinc/60/93/08/882609308.db2.gz KDMZGYIJGFWMFB-ZDUSSCGKSA-N 0 0 410.293 4.136 20 5 HIBDRN Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000448455559 872403014 /nfs/dbraw/zinc/40/30/14/872403014.db2.gz DTLYQCRPARPUFE-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN CC(C)N(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cnc2ccccc2c1 ZINC000448461574 872423083 /nfs/dbraw/zinc/42/30/83/872423083.db2.gz MHBYKRCAYRYXCL-UHFFFAOYSA-N 0 0 401.426 4.384 20 5 HIBDRN Cc1ccc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1[N+](=O)[O-] ZINC000468560193 882613084 /nfs/dbraw/zinc/61/30/84/882613084.db2.gz MKVLSLVEJCXXII-QGZVFWFLSA-N 0 0 418.291 4.382 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCO[C@H](C(C)(C)C)C3)cc2[N+](=O)[O-])n1 ZINC000468561244 882615616 /nfs/dbraw/zinc/61/56/16/882615616.db2.gz SREBBITVKIUEMB-INIZCTEOSA-N 0 0 421.544 4.398 20 5 HIBDRN O=C(Cc1noc(/C=C/c2ccccc2[N+](=O)[O-])n1)Nc1cccc(C(F)(F)F)c1 ZINC000460150760 872674505 /nfs/dbraw/zinc/67/45/05/872674505.db2.gz TWYWOQRYMZPCLV-CMDGGOBGSA-N 0 0 418.331 4.348 20 5 HIBDRN CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000460164904 872712970 /nfs/dbraw/zinc/71/29/70/872712970.db2.gz NHWAHYDQZWAHJR-UHFFFAOYSA-N 0 0 410.470 4.474 20 5 HIBDRN COC(=O)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(F)c1 ZINC000460202862 872781024 /nfs/dbraw/zinc/78/10/24/872781024.db2.gz PYTLCVBDARWYGY-UHFFFAOYSA-N 0 0 402.403 4.159 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(Cc1ccccc1)CC1CCOCC1 ZINC000460204656 872783538 /nfs/dbraw/zinc/78/35/38/872783538.db2.gz VIGSKRICSRCANU-UHFFFAOYSA-N 0 0 421.501 4.306 20 5 HIBDRN Cc1csc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1I ZINC000468577956 882653032 /nfs/dbraw/zinc/65/30/32/882653032.db2.gz OUGIRVBWMVLKCM-UHFFFAOYSA-N 0 0 402.213 4.130 20 5 HIBDRN CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460222713 872808984 /nfs/dbraw/zinc/80/89/84/872808984.db2.gz QBDFSTDVDRIQFD-CQSZACIVSA-N 0 0 411.437 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ZINC000460314436 872901037 /nfs/dbraw/zinc/90/10/37/872901037.db2.gz WRSWPBNIHOWLKM-QGZVFWFLSA-N 0 0 413.503 4.120 20 5 HIBDRN CO[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000460317968 872907142 /nfs/dbraw/zinc/90/71/42/872907142.db2.gz PYFSASPEUMKANN-QFIPXVFZSA-N 0 0 420.896 4.312 20 5 HIBDRN Cc1cnc([C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C2CC2)s1 ZINC000460321499 872915323 /nfs/dbraw/zinc/91/53/23/872915323.db2.gz XGUQXHKQDPYBKU-OAQYLSRUSA-N 0 0 403.507 4.187 20 5 HIBDRN CO[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1 ZINC000460331020 872935353 /nfs/dbraw/zinc/93/53/53/872935353.db2.gz WAFUOIJWKCIKQC-KRWDZBQOSA-N 0 0 417.874 4.489 20 5 HIBDRN C[C@H]1CN(C)c2ccccc2N(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000460342721 872956843 /nfs/dbraw/zinc/95/68/43/872956843.db2.gz VAVAGQSZWKQZNC-ZDUSSCGKSA-N 0 0 423.391 4.269 20 5 HIBDRN O=C(CCCOc1ccc(F)cc1F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460347257 872965712 /nfs/dbraw/zinc/96/57/12/872965712.db2.gz BYFDKJVTTKZTOM-IBGZPJMESA-N 0 0 408.426 4.306 20 5 HIBDRN O=C(CCCOCCc1ccccc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460347204 872966162 /nfs/dbraw/zinc/96/61/62/872966162.db2.gz BHICWSBXGFAKJW-NRFANRHFSA-N 0 0 400.500 4.208 20 5 HIBDRN COc1cc(Br)ccc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460349259 872967682 /nfs/dbraw/zinc/96/76/82/872967682.db2.gz RLJRQJRBDAQMFR-KRWDZBQOSA-N 0 0 423.288 4.254 20 5 HIBDRN O=C(COc1cccc(Br)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460355677 872978369 /nfs/dbraw/zinc/97/83/69/872978369.db2.gz XSQITZFILAQFNU-QGZVFWFLSA-N 0 0 423.288 4.010 20 5 HIBDRN CCOc1cn(-c2ccccc2)nc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460356477 872978559 /nfs/dbraw/zinc/97/85/59/872978559.db2.gz OHJQCZHKVWNAKY-NRFANRHFSA-N 0 0 424.482 4.067 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)CO1 ZINC000460378158 873017014 /nfs/dbraw/zinc/01/70/14/873017014.db2.gz BGOLFRSSLBITCE-FDDCHVKYSA-N 0 0 423.513 4.108 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H](C)CO1 ZINC000460378170 873017195 /nfs/dbraw/zinc/01/71/95/873017195.db2.gz BGOLFRSSLBITCE-WZONZLPQSA-N 0 0 423.513 4.108 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000460416795 873073388 /nfs/dbraw/zinc/07/33/88/873073388.db2.gz TUDWYGVLRCUEEM-CZUORRHYSA-N 0 0 417.487 4.044 20 5 HIBDRN C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000460445839 873115630 /nfs/dbraw/zinc/11/56/30/873115630.db2.gz UPGSBVAKMXSRLZ-NEPJUHHUSA-N 0 0 413.257 4.253 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](CC)Cc2ccc(C)cc2)cc1OC ZINC000460452370 873126754 /nfs/dbraw/zinc/12/67/54/873126754.db2.gz GSAKRATZJCTQDP-QGZVFWFLSA-N 0 0 400.475 4.404 20 5 HIBDRN CCOc1cc2c(cc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000460455568 873132095 /nfs/dbraw/zinc/13/20/95/873132095.db2.gz FAXLJRUHMHYJIA-LBPRGKRZSA-N 0 0 404.850 4.209 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(C[C@H]1CCCO1)C1CCCC1 ZINC000460457679 873135927 /nfs/dbraw/zinc/13/59/27/873135927.db2.gz MKOVKNNVMYIDMA-OAHLLOKOSA-N 0 0 416.396 4.100 20 5 HIBDRN COC(=O)c1ccccc1N(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCC1 ZINC000460460789 873142367 /nfs/dbraw/zinc/14/23/67/873142367.db2.gz OGHPAOQWVRVVNK-UHFFFAOYSA-N 0 0 423.469 4.181 20 5 HIBDRN C[C@H](CCc1cccn1C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000460467117 873150274 /nfs/dbraw/zinc/15/02/74/873150274.db2.gz FLRQJYQXUGOIQB-QGZVFWFLSA-N 0 0 406.486 4.297 20 5 HIBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460508501 873195306 /nfs/dbraw/zinc/19/53/06/873195306.db2.gz OWQHNLHFMNNILP-UHFFFAOYSA-N 0 0 415.446 4.050 20 5 HIBDRN Cc1ccc(CC[C@H](C)NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)o1 ZINC000460532218 873228496 /nfs/dbraw/zinc/22/84/96/873228496.db2.gz CYRAAAQTTOQPSR-AWEZNQCLSA-N 0 0 410.474 4.109 20 5 HIBDRN CCNc1ccc(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000460541782 873243017 /nfs/dbraw/zinc/24/30/17/873243017.db2.gz ASFVUCPAHDIMIJ-HNNXBMFYSA-N 0 0 416.909 4.199 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C[C@@H]2CCCO2)C2CCC(C)CC2)cc1OC ZINC000460547984 873255977 /nfs/dbraw/zinc/25/59/77/873255977.db2.gz GJVFNESADDUGIY-JCYILVPMSA-N 0 0 420.506 4.202 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000460549752 873258658 /nfs/dbraw/zinc/25/86/58/873258658.db2.gz RAQGSFRNONNVJS-OAHLLOKOSA-N 0 0 419.934 4.246 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000460598837 873340101 /nfs/dbraw/zinc/34/01/01/873340101.db2.gz MNQFTRQEWRDFBP-KRWDZBQOSA-N 0 0 423.847 4.436 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000460614462 873357944 /nfs/dbraw/zinc/35/79/44/873357944.db2.gz MNGWBEISXBUIHO-LLVKDONJSA-N 0 0 408.357 4.023 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000460636256 873376977 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COc1ccccc1-c1nc(C2CCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)no1 ZINC000461947839 875079968 /nfs/dbraw/zinc/07/99/68/875079968.db2.gz LHLUAIYRORADDP-UHFFFAOYSA-N 0 0 412.421 4.485 20 5 HIBDRN Cc1cc(NC(=O)c2sc(C(F)(F)F)nc2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462018718 875135441 /nfs/dbraw/zinc/13/54/41/875135441.db2.gz WAXCTIMZLHGWBY-UHFFFAOYSA-N 0 0 411.365 4.125 20 5 HIBDRN CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462072856 875183985 /nfs/dbraw/zinc/18/39/85/875183985.db2.gz GTPQELCUWRWFJY-CYBMUJFWSA-N 0 0 420.849 4.358 20 5 HIBDRN COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c2nccn2C)cc1 ZINC000462094377 875204427 /nfs/dbraw/zinc/20/44/27/875204427.db2.gz ABUGBFWOHIKMPF-QGZVFWFLSA-N 0 0 404.373 4.140 20 5 HIBDRN O=C([C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000462123423 875226445 /nfs/dbraw/zinc/22/64/45/875226445.db2.gz WOCOXCUCIKSYJB-KUHUBIRLSA-N 0 0 404.825 4.444 20 5 HIBDRN CC[C@]1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)OCCc2ccccc21 ZINC000462159632 875255263 /nfs/dbraw/zinc/25/52/63/875255263.db2.gz XLYVZWBNMYIJFK-HSZRJFAPSA-N 0 0 409.486 4.147 20 5 HIBDRN COc1ccc(NC(=O)CNc2ccc(C)c(Oc3cc(C)ccn3)c2)c([N+](=O)[O-])c1 ZINC000462180430 875281360 /nfs/dbraw/zinc/28/13/60/875281360.db2.gz YWZVCGFZLCILTN-UHFFFAOYSA-N 0 0 422.441 4.458 20 5 HIBDRN CCN(CC)S(=O)(=O)c1cc(NCc2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000462208963 875316449 /nfs/dbraw/zinc/31/64/49/875316449.db2.gz KKCNJALNZBDEFY-UHFFFAOYSA-N 0 0 411.911 4.199 20 5 HIBDRN Cc1c(CNc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000462210534 875318465 /nfs/dbraw/zinc/31/84/65/875318465.db2.gz QLJNABOVXVFSSK-UHFFFAOYSA-N 0 0 411.483 4.340 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000462276706 875403317 /nfs/dbraw/zinc/40/33/17/875403317.db2.gz FBLPQIXCLCTSPS-UHFFFAOYSA-N 0 0 420.263 4.231 20 5 HIBDRN O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000462358501 875473329 /nfs/dbraw/zinc/47/33/29/875473329.db2.gz PUPYKCWKQRMHCF-LBPRGKRZSA-N 0 0 411.355 4.009 20 5 HIBDRN C[C@H](Nc1ncnc2ccc(I)cc21)c1cccc([N+](=O)[O-])c1 ZINC000462369092 875480754 /nfs/dbraw/zinc/48/07/54/875480754.db2.gz KVUKQIQQLVAZBL-JTQLQIEISA-N 0 0 420.210 4.316 20 5 HIBDRN Cc1nn(C)c2cc(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)ccc12 ZINC000462375885 875488169 /nfs/dbraw/zinc/48/81/69/875488169.db2.gz GKZFTOVSHJEAQT-AWEZNQCLSA-N 0 0 407.474 4.279 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(C3CCC3)c2)cc1[N+](=O)[O-] ZINC000462389727 875501119 /nfs/dbraw/zinc/50/11/19/875501119.db2.gz VLUREJQSPQGIAD-UHFFFAOYSA-N 0 0 409.471 4.394 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCCc2ccccc21 ZINC000462434853 875541018 /nfs/dbraw/zinc/54/10/18/875541018.db2.gz CNJYWVWGSKXTKH-UHFFFAOYSA-N 0 0 401.271 4.433 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nccn2Cc2ccccn2)nc1OCc1ccccc1 ZINC000462489914 875600486 /nfs/dbraw/zinc/60/04/86/875600486.db2.gz FUYUXHVKTREMOW-UHFFFAOYSA-N 0 0 419.466 4.360 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000462506462 875622147 /nfs/dbraw/zinc/62/21/47/875622147.db2.gz FDFZTKBBCGSMLM-HNNXBMFYSA-N 0 0 405.458 4.465 20 5 HIBDRN COc1cc(Cc2nc(=O)c3c(CC(C)C)csc3[nH]2)c([N+](=O)[O-])c(OC)c1 ZINC000462510921 875629199 /nfs/dbraw/zinc/62/91/99/875629199.db2.gz MRQHUDPYDHOSHK-UHFFFAOYSA-N 0 0 403.460 4.112 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCn2c(cc3ccccc32)C1 ZINC000462558420 875684671 /nfs/dbraw/zinc/68/46/71/875684671.db2.gz HYAZIDXFDWVYEX-UHFFFAOYSA-N 0 0 419.359 4.147 20 5 HIBDRN Cc1cc(NC(=O)c2ccnc(SCC(F)(F)F)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462562774 875690251 /nfs/dbraw/zinc/69/02/51/875690251.db2.gz NYCZPWKLBLNQBP-UHFFFAOYSA-N 0 0 422.388 4.175 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(C)c2Br)c2cc([N+](=O)[O-])ccc2n1 ZINC000462570666 875695737 /nfs/dbraw/zinc/69/57/37/875695737.db2.gz GRUPSGBHWRJHFL-UHFFFAOYSA-N 0 0 400.232 4.197 20 5 HIBDRN Cc1ccc(CCN(Cc2ccco2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000462578813 875700520 /nfs/dbraw/zinc/70/05/20/875700520.db2.gz OSENYMGOWOMIFN-UHFFFAOYSA-N 0 0 418.446 4.069 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cc(Br)c(C)cc2OC)cc1[N+](=O)[O-] ZINC000462579866 875700889 /nfs/dbraw/zinc/70/08/89/875700889.db2.gz LZHBCZYPSSOLKT-UHFFFAOYSA-N 0 0 408.252 4.358 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(F)cc2Br)c2cc([N+](=O)[O-])ccc2n1 ZINC000462588935 875707020 /nfs/dbraw/zinc/70/70/20/875707020.db2.gz DLKQYHFPKAEZOG-UHFFFAOYSA-N 0 0 404.195 4.027 20 5 HIBDRN CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000462590344 875708784 /nfs/dbraw/zinc/70/87/84/875708784.db2.gz JJWPQGPSGRRSBQ-UHFFFAOYSA-N 0 0 411.487 4.069 20 5 HIBDRN CCc1cc(NC(=O)c2sc(-c3ccccn3)nc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000462600024 875716127 /nfs/dbraw/zinc/71/61/27/875716127.db2.gz DPLCTPDYDKUHAI-UHFFFAOYSA-N 0 0 419.466 4.207 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 ZINC000462618101 875729855 /nfs/dbraw/zinc/72/98/55/875729855.db2.gz OJVWZZBQSXKXLK-WIYYLYMNSA-N 0 0 404.470 4.191 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000462618120 875729903 /nfs/dbraw/zinc/72/99/03/875729903.db2.gz ONZOHHTZUSAMQW-MRXNPFEDSA-N 0 0 418.440 4.264 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000462621842 875733098 /nfs/dbraw/zinc/73/30/98/875733098.db2.gz SRDRWJJKRKXSHH-ZFWWWQNUSA-N 0 0 404.438 4.197 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000462639388 875749370 /nfs/dbraw/zinc/74/93/70/875749370.db2.gz KDRLEMZKYYLIDS-OAHLLOKOSA-N 0 0 417.506 4.492 20 5 HIBDRN CCN([C@H](Cc1ccc(F)cc1)C(C)C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000462662257 875766055 /nfs/dbraw/zinc/76/60/55/875766055.db2.gz RDWMSZPSUJVZEB-HXUWFJFHSA-N 0 0 408.495 4.153 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)[C@H]2CCOC2)nc1OCc1ccccc1 ZINC000462697740 875785973 /nfs/dbraw/zinc/78/59/73/875785973.db2.gz DGJVWSIRTOEIKX-UGKGYDQZSA-N 0 0 405.454 4.759 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000462760563 875823947 /nfs/dbraw/zinc/82/39/47/875823947.db2.gz JUCDGWDQVHHBFH-NQERJWCQSA-N 0 0 417.456 4.003 20 5 HIBDRN CNc1c(C(=O)N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000462764039 875826203 /nfs/dbraw/zinc/82/62/03/875826203.db2.gz SUQFGSGWKNHDBC-UHFFFAOYSA-N 0 0 423.300 4.296 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CCC(CO)CC1 ZINC000462769422 875828645 /nfs/dbraw/zinc/82/86/45/875828645.db2.gz RZABOQDVSZIXAK-LJQANCHMSA-N 0 0 411.502 4.011 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000462778221 875835078 /nfs/dbraw/zinc/83/50/78/875835078.db2.gz KJBLKQBSUCVJRG-PXNSSMCTSA-N 0 0 419.485 4.312 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)c1 ZINC000462786036 875840049 /nfs/dbraw/zinc/84/00/49/875840049.db2.gz TVKVVPGWNIPSAI-UHFFFAOYSA-N 0 0 412.870 4.039 20 5 HIBDRN COc1cc(N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)ccc1[N+](=O)[O-] ZINC000462808021 875854494 /nfs/dbraw/zinc/85/44/94/875854494.db2.gz ZNBISTVFHSSJKW-LJQANCHMSA-N 0 0 401.850 4.209 20 5 HIBDRN CN(CCc1cccc(Br)c1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000462834015 875868931 /nfs/dbraw/zinc/86/89/31/875868931.db2.gz OBQHPHLWZOWAPD-UHFFFAOYSA-N 0 0 418.291 4.246 20 5 HIBDRN CCOC(=O)c1ccnc(N(CC)Cc2cccc(-c3ccncc3)c2)c1[N+](=O)[O-] ZINC000462898441 875923646 /nfs/dbraw/zinc/92/36/46/875923646.db2.gz UHQYOTGFDMBZOW-UHFFFAOYSA-N 0 0 406.442 4.255 20 5 HIBDRN O=C(NCc1ccc(C(F)F)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000462912366 875938096 /nfs/dbraw/zinc/93/80/96/875938096.db2.gz QTAKUVXADPMNAO-UHFFFAOYSA-N 0 0 404.291 4.404 20 5 HIBDRN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000462916986 875943152 /nfs/dbraw/zinc/94/31/52/875943152.db2.gz MJIMNRGCKREOQB-KSSFIOAISA-N 0 0 424.375 4.186 20 5 HIBDRN CNc1c(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000462921342 875950819 /nfs/dbraw/zinc/95/08/19/875950819.db2.gz GBKKSJATFPZNGV-UHFFFAOYSA-N 0 0 410.474 4.085 20 5 HIBDRN O=[N+]([O-])c1c(NC[C@H](CO)Cc2ccccc2OC(F)(F)F)ccc2ncccc21 ZINC000462941761 875963943 /nfs/dbraw/zinc/96/39/43/875963943.db2.gz JDNGLNSDHGUUJM-CYBMUJFWSA-N 0 0 421.375 4.305 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000462948388 875967442 /nfs/dbraw/zinc/96/74/42/875967442.db2.gz STYDXYJNKICSHS-OAHLLOKOSA-N 0 0 424.423 4.160 20 5 HIBDRN COc1ccc([C@@H](Nc2c([N+](=O)[O-])ncn2C)c2ccccc2Cl)c(OC)c1 ZINC000462949108 875969073 /nfs/dbraw/zinc/96/90/73/875969073.db2.gz ZNYQRAVCZZBDTL-KRWDZBQOSA-N 0 0 402.838 4.200 20 5 HIBDRN CNc1c(C(=O)Nc2cccc(CSC3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000462980487 875993030 /nfs/dbraw/zinc/99/30/30/875993030.db2.gz JITZATPEQHFKSP-UHFFFAOYSA-N 0 0 401.488 4.301 20 5 HIBDRN CNc1c(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)cccc1[N+](=O)[O-] ZINC000463000338 876014669 /nfs/dbraw/zinc/01/46/69/876014669.db2.gz FDEGNYIFPVQLHR-UHFFFAOYSA-N 0 0 423.498 4.175 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000463006657 876021888 /nfs/dbraw/zinc/02/18/88/876021888.db2.gz FQXOOHNGWKGYAV-QGZVFWFLSA-N 0 0 424.378 4.352 20 5 HIBDRN C[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc(F)cc1F ZINC000463014332 876030901 /nfs/dbraw/zinc/03/09/01/876030901.db2.gz VGNOTJLVFLAQLY-NSHDSACASA-N 0 0 420.803 4.288 20 5 HIBDRN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000463043766 876071150 /nfs/dbraw/zinc/07/11/50/876071150.db2.gz LMSGJHNMIHPKNN-GJZGRUSLSA-N 0 0 411.483 4.337 20 5 HIBDRN Cc1cnc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000463056707 876084739 /nfs/dbraw/zinc/08/47/39/876084739.db2.gz SAKDHQGQAJBREW-UHFFFAOYSA-N 0 0 424.451 4.488 20 5 HIBDRN Cc1cnc(Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c([N+](=O)[O-])c1 ZINC000463061456 876090238 /nfs/dbraw/zinc/09/02/38/876090238.db2.gz PLNQGHSZXSHCQI-UHFFFAOYSA-N 0 0 419.409 4.294 20 5 HIBDRN CCc1cnc(N2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)s1 ZINC000463077912 876109298 /nfs/dbraw/zinc/10/92/98/876109298.db2.gz MDZJFWLCZJLRCD-UHFFFAOYSA-N 0 0 422.510 4.171 20 5 HIBDRN O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463126833 876170540 /nfs/dbraw/zinc/17/05/40/876170540.db2.gz LVCICNVKIMJGBF-UHFFFAOYSA-N 0 0 422.281 4.441 20 5 HIBDRN CN(c1ccccc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000463179025 876235325 /nfs/dbraw/zinc/23/53/25/876235325.db2.gz XRSDNEWRVVGQBE-UHFFFAOYSA-N 0 0 407.392 4.355 20 5 HIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000463191110 876249707 /nfs/dbraw/zinc/24/97/07/876249707.db2.gz LGENGURTFSWHJM-UHFFFAOYSA-N 0 0 401.728 4.478 20 5 HIBDRN CN(CC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)c1ccccc1[N+](=O)[O-] ZINC000463262426 876320377 /nfs/dbraw/zinc/32/03/77/876320377.db2.gz AHOZBGRFVJLBOL-UHFFFAOYSA-N 0 0 422.416 4.061 20 5 HIBDRN CCOc1cc(NC(=O)c2cnnc(-c3ccccc3)c2)c([N+](=O)[O-])cc1OCC ZINC000463298467 876359714 /nfs/dbraw/zinc/35/97/14/876359714.db2.gz WYSLARUBRMKBPH-UHFFFAOYSA-N 0 0 408.414 4.102 20 5 HIBDRN O=C(c1ccccc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000463324402 876380197 /nfs/dbraw/zinc/38/01/97/876380197.db2.gz OXIGRPXYRQAFQJ-UHFFFAOYSA-N 0 0 406.360 4.349 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000463336536 876392628 /nfs/dbraw/zinc/39/26/28/876392628.db2.gz NZFZZSRGMWRBDU-UHFFFAOYSA-N 0 0 410.352 4.396 20 5 HIBDRN CN(CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1[N+](=O)[O-] ZINC000463353100 876406434 /nfs/dbraw/zinc/40/64/34/876406434.db2.gz WHRJUUGYWJXYDL-UHFFFAOYSA-N 0 0 401.426 4.213 20 5 HIBDRN COc1ccccc1Oc1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000463354952 876407788 /nfs/dbraw/zinc/40/77/88/876407788.db2.gz NGYXFVRYQVKSSO-UHFFFAOYSA-N 0 0 407.426 4.471 20 5 HIBDRN COC(=O)c1cc(Br)cc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000463391122 876447117 /nfs/dbraw/zinc/44/71/17/876447117.db2.gz OQYISVMUNQCNLW-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN Cc1nc(CCC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)oc1-c1ccccc1 ZINC000468964154 883029990 /nfs/dbraw/zinc/02/99/90/883029990.db2.gz NAVGQLHDRXSDKA-UHFFFAOYSA-N 0 0 402.410 4.678 20 5 HIBDRN CCN(C[C@H](C)OC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000463427570 876482475 /nfs/dbraw/zinc/48/24/75/876482475.db2.gz GKFJXQVIZYUINO-IFXJQAMLSA-N 0 0 405.882 4.285 20 5 HIBDRN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c2ccccc12 ZINC000463431906 876487812 /nfs/dbraw/zinc/48/78/12/876487812.db2.gz RPHFSGVDAULCKD-UHFFFAOYSA-N 0 0 413.455 4.124 20 5 HIBDRN COc1cc(CSc2nnc(N3CCC(C)CC3)n2C2CC2)c([N+](=O)[O-])cc1F ZINC000463442286 876501337 /nfs/dbraw/zinc/50/13/37/876501337.db2.gz GDCVKHBWFNCDSO-UHFFFAOYSA-N 0 0 421.498 4.198 20 5 HIBDRN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000463451307 876510203 /nfs/dbraw/zinc/51/02/03/876510203.db2.gz GCTYGYUGQSLPKM-UHFFFAOYSA-N 0 0 409.364 4.348 20 5 HIBDRN CC(C)c1nc([C@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)no1 ZINC000463482802 876541719 /nfs/dbraw/zinc/54/17/19/876541719.db2.gz VGOLKVMSGXTBDI-NSHDSACASA-N 0 0 412.368 4.140 20 5 HIBDRN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463503495 876564588 /nfs/dbraw/zinc/56/45/88/876564588.db2.gz SWWSTJJPORSVGO-IBGZPJMESA-N 0 0 419.485 4.100 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)COc2c(F)cccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000463573775 876669634 /nfs/dbraw/zinc/66/96/34/876669634.db2.gz GINPEWGNWJOYPQ-LJQANCHMSA-N 0 0 400.431 4.388 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463657466 876778459 /nfs/dbraw/zinc/77/84/59/876778459.db2.gz VGXFGURZFKVPKG-UHFFFAOYSA-N 0 0 407.348 4.399 20 5 HIBDRN C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463687103 876808348 /nfs/dbraw/zinc/80/83/48/876808348.db2.gz QIIRKCJUTSTZFS-GFCCVEGCSA-N 0 0 405.863 4.178 20 5 HIBDRN COc1cc(S(=O)(=O)N([C@H](C)c2ccc(Cl)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000469002373 883069160 /nfs/dbraw/zinc/06/91/60/883069160.db2.gz PPPLFHUQABLLRO-GFCCVEGCSA-N 0 0 410.879 4.171 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1C(=O)NC(C)C ZINC000463742108 876863622 /nfs/dbraw/zinc/86/36/22/876863622.db2.gz TYYLUUMQTYWABG-UHFFFAOYSA-N 0 0 409.364 4.313 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000463743066 876865003 /nfs/dbraw/zinc/86/50/03/876865003.db2.gz BHUKVIYZFLIXOL-OAHLLOKOSA-N 0 0 409.490 5.002 20 5 HIBDRN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccccc2S1 ZINC000469005187 883072543 /nfs/dbraw/zinc/07/25/43/883072543.db2.gz QOHGFFZMWVHPFB-JTQLQIEISA-N 0 0 418.418 4.303 20 5 HIBDRN C[C@@H](c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)N1CCOCC1 ZINC000463867320 876987338 /nfs/dbraw/zinc/98/73/38/876987338.db2.gz STSJEFDYLPIVOD-ZDUSSCGKSA-N 0 0 423.391 4.259 20 5 HIBDRN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCc2c1cccc2-c1ccccc1 ZINC000463883197 877003585 /nfs/dbraw/zinc/00/35/85/877003585.db2.gz KMRBGAHTGKRIBL-UHFFFAOYSA-N 0 0 411.421 4.045 20 5 HIBDRN C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000463923162 877044172 /nfs/dbraw/zinc/04/41/72/877044172.db2.gz DQXUQBPTIKMSFD-QGZVFWFLSA-N 0 0 403.438 4.323 20 5 HIBDRN Cc1nn(C)c2cc(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc12 ZINC000463937701 877058009 /nfs/dbraw/zinc/05/80/09/877058009.db2.gz OPYPKZZHAOXIFB-UHFFFAOYSA-N 0 0 407.352 4.130 20 5 HIBDRN C[C@H](C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000463954728 877076455 /nfs/dbraw/zinc/07/64/55/877076455.db2.gz KQOXIAAWDXUFPV-LBPRGKRZSA-N 0 0 415.247 4.285 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000463956337 877077980 /nfs/dbraw/zinc/07/79/80/877077980.db2.gz YKMZXWWHOZYCBJ-AWEZNQCLSA-N 0 0 424.379 4.311 20 5 HIBDRN C[C@@H]1CCCN(c2cc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)ccn2)C1 ZINC000463956962 877080649 /nfs/dbraw/zinc/08/06/49/877080649.db2.gz DSPAQCIDHMPILX-QVKFZJNVSA-N 0 0 412.515 4.114 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(OC[C@H]2CCCO2)c1 ZINC000463958844 877082659 /nfs/dbraw/zinc/08/26/59/877082659.db2.gz NTEKQRDICUCTOI-GOSISDBHSA-N 0 0 413.474 4.400 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000463970626 877095929 /nfs/dbraw/zinc/09/59/29/877095929.db2.gz AWYXYNJTTNYUNB-OAHLLOKOSA-N 0 0 422.279 4.219 20 5 HIBDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000463979190 877109320 /nfs/dbraw/zinc/10/93/20/877109320.db2.gz UYFFNHNEVRYKOF-UHFFFAOYSA-N 0 0 411.506 4.377 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000463990594 877125743 /nfs/dbraw/zinc/12/57/43/877125743.db2.gz QAGHZLLLZCGPGO-UHFFFAOYSA-N 0 0 417.465 4.098 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000464015276 877150606 /nfs/dbraw/zinc/15/06/06/877150606.db2.gz MEZAHZPJAKZIDL-UHFFFAOYSA-N 0 0 413.455 4.034 20 5 HIBDRN CN(CC(=O)Nc1ccc(COCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000464026620 877160824 /nfs/dbraw/zinc/16/08/24/877160824.db2.gz RPHHUXOMJUZTIG-UHFFFAOYSA-N 0 0 405.454 4.387 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000464048298 877189684 /nfs/dbraw/zinc/18/96/84/877189684.db2.gz IZZAKESKIREBTQ-SFHVURJKSA-N 0 0 401.438 4.193 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000464054347 877196508 /nfs/dbraw/zinc/19/65/08/877196508.db2.gz PIHUDAITLNDMFL-HXUWFJFHSA-N 0 0 413.449 4.337 20 5 HIBDRN Cc1ccn(-c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000469035358 883106343 /nfs/dbraw/zinc/10/63/43/883106343.db2.gz PRKVJEKRYFHCLL-UHFFFAOYSA-N 0 0 415.247 4.033 20 5 HIBDRN COc1cc(CNc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000464078025 877229887 /nfs/dbraw/zinc/22/98/87/877229887.db2.gz SSRNWUSDFFJMQG-GJZGRUSLSA-N 0 0 415.465 4.473 20 5 HIBDRN CCc1cnc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)s1 ZINC000464139208 877304776 /nfs/dbraw/zinc/30/47/76/877304776.db2.gz ZEVHORXCWUMVBI-UHFFFAOYSA-N 0 0 420.541 4.460 20 5 HIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000464170439 877336402 /nfs/dbraw/zinc/33/64/02/877336402.db2.gz RTSFXTFBPKUZCM-AWEZNQCLSA-N 0 0 411.483 4.430 20 5 HIBDRN COc1ccccc1C[C@@H](C)N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464169358 877336841 /nfs/dbraw/zinc/33/68/41/877336841.db2.gz LJAXGEWCTYVVNL-CQSZACIVSA-N 0 0 406.866 4.115 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2c(Br)ccc(Cl)c2C1 ZINC000464186600 877356749 /nfs/dbraw/zinc/35/67/49/877356749.db2.gz XGUOIAKGEOAGKV-UHFFFAOYSA-N 0 0 409.667 4.138 20 5 HIBDRN C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@H]1c1cccc(F)c1 ZINC000464202605 877372126 /nfs/dbraw/zinc/37/21/26/877372126.db2.gz CNSSPRHOWIBOLO-RNODOKPDSA-N 0 0 415.446 4.054 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000464238133 877414741 /nfs/dbraw/zinc/41/47/41/877414741.db2.gz VYGOHZJIJIMSBL-LLVKDONJSA-N 0 0 423.311 4.037 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000464240147 877416177 /nfs/dbraw/zinc/41/61/77/877416177.db2.gz SXUAMQIPRCRTRC-GFCCVEGCSA-N 0 0 413.503 4.469 20 5 HIBDRN COc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1OC(C)C ZINC000464258084 877437085 /nfs/dbraw/zinc/43/70/85/877437085.db2.gz IFKLNQNEHRAZGW-UHFFFAOYSA-N 0 0 413.474 4.246 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(OCc2ccccc2F)cc1 ZINC000464261036 877441552 /nfs/dbraw/zinc/44/15/52/877441552.db2.gz AFNIOGISKYRUMK-UHFFFAOYSA-N 0 0 410.401 4.008 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)cc([N+](=O)[O-])c1 ZINC000464303348 877492218 /nfs/dbraw/zinc/49/22/18/877492218.db2.gz ZQPJZLCWWHHQTN-DJJJIMSYSA-N 0 0 400.406 4.134 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CNc2cccc(CN3CCOCC3)n2)s1 ZINC000503261802 912240618 /nfs/dbraw/zinc/24/06/18/912240618.db2.gz UZXRYISPPJLMHD-UHFFFAOYSA-N 0 0 410.499 4.163 20 5 HIBDRN CCC(CC)[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000464305112 877495940 /nfs/dbraw/zinc/49/59/40/877495940.db2.gz CIZNUPVNTARVGW-FQEVSTJZSA-N 0 0 417.893 4.272 20 5 HIBDRN CCc1cc(NC(=O)c2c(C)cccc2Br)c2cc([N+](=O)[O-])ccc2n1 ZINC000464307546 877497011 /nfs/dbraw/zinc/49/70/11/877497011.db2.gz XVUSTAJIHCGTKJ-UHFFFAOYSA-N 0 0 414.259 4.451 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000464311948 877503283 /nfs/dbraw/zinc/50/32/83/877503283.db2.gz PILQCFXIZVHEEF-ZDUSSCGKSA-N 0 0 401.633 4.347 20 5 HIBDRN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000464316092 877506128 /nfs/dbraw/zinc/50/61/28/877506128.db2.gz XORJZUSLIAHYDL-CQSZACIVSA-N 0 0 422.268 4.365 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000464332078 877523178 /nfs/dbraw/zinc/52/31/78/877523178.db2.gz GLZLHJRLDWTCJS-KRWDZBQOSA-N 0 0 411.527 4.449 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000464344742 877535461 /nfs/dbraw/zinc/53/54/61/877535461.db2.gz ULXIWRZTQGRFMM-UHFFFAOYSA-N 0 0 420.903 4.421 20 5 HIBDRN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464421027 877630588 /nfs/dbraw/zinc/63/05/88/877630588.db2.gz OVQPLVXGUMVAPU-VKJFTORMSA-N 0 0 411.483 4.098 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nccc(-c4ccco4)n3)cc2[N+](=O)[O-])C1 ZINC000464445800 877660408 /nfs/dbraw/zinc/66/04/08/877660408.db2.gz HMCKLNFIYNHSTB-HUUCEWRRSA-N 0 0 421.457 4.379 20 5 HIBDRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1OC(C)C ZINC000464467342 877688725 /nfs/dbraw/zinc/68/87/25/877688725.db2.gz YPLCDPNXZSPJOP-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN COc1cc(CN[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c([N+](=O)[O-])cc1F ZINC000464501452 877724438 /nfs/dbraw/zinc/72/44/38/877724438.db2.gz 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O=C(CCc1ncc(-c2ccccc2)o1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464637331 877855387 /nfs/dbraw/zinc/85/53/87/877855387.db2.gz ZLNGIRUUGRWMHK-UHFFFAOYSA-N 0 0 421.453 4.252 20 5 HIBDRN COCc1c2ccccc2oc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464641213 877859128 /nfs/dbraw/zinc/85/91/28/877859128.db2.gz XGFHAHXMJZPPST-UHFFFAOYSA-N 0 0 410.426 4.171 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2cc(Cl)ccc2O1 ZINC000464648490 877868994 /nfs/dbraw/zinc/86/89/94/877868994.db2.gz KCMZPVQDBXFCFP-VIFPVBQESA-N 0 0 411.639 4.438 20 5 HIBDRN Cc1noc2nc(C3CC3)cc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c12 ZINC000464658337 877879822 /nfs/dbraw/zinc/87/98/22/877879822.db2.gz GMASAUOEDIOGPB-UHFFFAOYSA-N 0 0 422.441 4.000 20 5 HIBDRN Cc1oc(-c2ccccc2)nc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464660633 877881871 /nfs/dbraw/zinc/88/18/71/877881871.db2.gz IMATZKNFJLAHMP-UHFFFAOYSA-N 0 0 407.426 4.242 20 5 HIBDRN Cc1nc(CC(C)C)sc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464661107 877882511 /nfs/dbraw/zinc/88/25/11/877882511.db2.gz IZWHJWNPAQLLKC-UHFFFAOYSA-N 0 0 403.504 4.242 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc(C2CCCCC2)no1 ZINC000464699274 877915146 /nfs/dbraw/zinc/91/51/46/877915146.db2.gz LCIJJHVVIAHXDH-SNVBAGLBSA-N 0 0 423.267 4.279 20 5 HIBDRN CCSCC[C@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000464703238 877922574 /nfs/dbraw/zinc/92/25/74/877922574.db2.gz ZDZNRIJCMCXXAN-JTQLQIEISA-N 0 0 417.318 4.349 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000464708643 877930997 /nfs/dbraw/zinc/93/09/97/877930997.db2.gz HWVWGJPVDGCUQB-UHFFFAOYSA-N 0 0 402.472 4.126 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000464721357 877949446 /nfs/dbraw/zinc/94/94/46/877949446.db2.gz WHTDFAXHLHWDIV-UHFFFAOYSA-N 0 0 424.478 4.383 20 5 HIBDRN Cc1ccc(Cl)cc1NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464775499 878016700 /nfs/dbraw/zinc/01/67/00/878016700.db2.gz JYIAVLGLCGMSDG-UHFFFAOYSA-N 0 0 403.866 4.039 20 5 HIBDRN COc1ccc(-c2nc(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)co2)cc1 ZINC000464780570 878025056 /nfs/dbraw/zinc/02/50/56/878025056.db2.gz RCMZHESHKQWMSU-UHFFFAOYSA-N 0 0 409.442 4.302 20 5 HIBDRN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782626 878027526 /nfs/dbraw/zinc/02/75/26/878027526.db2.gz YUNZGWZKHFHCCX-ROUUACIJSA-N 0 0 411.502 4.012 20 5 HIBDRN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782969 878029957 /nfs/dbraw/zinc/02/99/57/878029957.db2.gz DDSBYRLBTJIEBP-OAHLLOKOSA-N 0 0 417.893 4.427 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)cc1OC ZINC000464793342 878039712 /nfs/dbraw/zinc/03/97/12/878039712.db2.gz JUNXIBCPKBWPQN-HNNXBMFYSA-N 0 0 424.453 4.330 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2ccccc12)N1CCC(OCc2ccccc2)CC1 ZINC000464799091 878043916 /nfs/dbraw/zinc/04/39/16/878043916.db2.gz XREWOSYPMDCXCR-UHFFFAOYSA-N 0 0 420.465 4.335 20 5 HIBDRN CCO[C@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCCC2 ZINC000464877516 878168115 /nfs/dbraw/zinc/16/81/15/878168115.db2.gz QRIRZBCFKISQGK-IRXDYDNUSA-N 0 0 401.488 4.186 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(=Cc2ccccc2F)CC1 ZINC000464877884 878168345 /nfs/dbraw/zinc/16/83/45/878168345.db2.gz RGMHADXKLCRNJK-HNNXBMFYSA-N 0 0 413.449 4.249 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)N2CCC(=Cc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000464890781 878191496 /nfs/dbraw/zinc/19/14/96/878191496.db2.gz XQCMRLJFUXNAGI-HNNXBMFYSA-N 0 0 413.449 4.249 20 5 HIBDRN CC(C)CO[C@H](C)c1noc(COc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000465018136 878381547 /nfs/dbraw/zinc/38/15/47/878381547.db2.gz NXWRRLZSYYJBDW-SNVBAGLBSA-N 0 0 400.229 4.053 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(OCc2ccccc2)cc1 ZINC000465031782 878395774 /nfs/dbraw/zinc/39/57/74/878395774.db2.gz KUTUWLYRSHECKY-UHFFFAOYSA-N 0 0 420.421 4.126 20 5 HIBDRN CCOc1cccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c1OC(F)F ZINC000465051357 878414312 /nfs/dbraw/zinc/41/43/12/878414312.db2.gz QPWRFZZDKUZNFL-UHFFFAOYSA-N 0 0 407.373 4.092 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000465072531 878432215 /nfs/dbraw/zinc/43/22/15/878432215.db2.gz MFGUZKFWRWXTRE-ZDUSSCGKSA-N 0 0 416.861 4.314 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc3cccc(Br)c3n2)cc1[N+](=O)[O-] ZINC000465075255 878435972 /nfs/dbraw/zinc/43/59/72/878435972.db2.gz UFAMQHKBADGKQA-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N2C[C@@H]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000465084526 878446283 /nfs/dbraw/zinc/44/62/83/878446283.db2.gz LFBTXCDGZWNQBN-HOTGVXAUSA-N 0 0 410.495 4.420 20 5 HIBDRN CC(C)(CCCc1ccccc1)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465121225 878500807 /nfs/dbraw/zinc/50/08/07/878500807.db2.gz MOIZEXAPTPWYBM-UHFFFAOYSA-N 0 0 412.486 4.074 20 5 HIBDRN Cc1c2ccccc2oc1[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000465129944 878510966 /nfs/dbraw/zinc/51/09/66/878510966.db2.gz UNDCIEVURPYTQM-QFIPXVFZSA-N 0 0 424.453 4.477 20 5 HIBDRN Cc1cc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1Oc1cccnc1 ZINC000465175082 878561604 /nfs/dbraw/zinc/56/16/04/878561604.db2.gz GVMCBBGVHZSLIA-UHFFFAOYSA-N 0 0 421.409 4.043 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1c(F)cccc1OC(F)F ZINC000465182941 878572000 /nfs/dbraw/zinc/57/20/00/878572000.db2.gz INUIZZGRMGPLNO-VIFPVBQESA-N 0 0 418.755 4.072 20 5 HIBDRN Cc1ccc(-c2nc(CNC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])co2)cc1 ZINC000465198712 878602269 /nfs/dbraw/zinc/60/22/69/878602269.db2.gz VQFUVBOXCWAGOB-UHFFFAOYSA-N 0 0 415.833 4.297 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)cc([N+](=O)[O-])c1OC ZINC000465261562 878690285 /nfs/dbraw/zinc/69/02/85/878690285.db2.gz KVUSWVSXNLAFFM-LJQANCHMSA-N 0 0 402.422 4.412 20 5 HIBDRN CC[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc(C(F)(F)F)cs1 ZINC000465266721 878697178 /nfs/dbraw/zinc/69/71/78/878697178.db2.gz OGJJSVROCFTZDU-LBPRGKRZSA-N 0 0 412.393 4.292 20 5 HIBDRN CCOc1cc(C(=O)Nc2nc3c(ccc(F)c3C)s2)c([N+](=O)[O-])cc1OC ZINC000465277186 878711175 /nfs/dbraw/zinc/71/11/75/878711175.db2.gz OTNDCXAWSQKMOQ-UHFFFAOYSA-N 0 0 405.407 4.312 20 5 HIBDRN CC[C@H]1C[C@@H](C)CN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000465295966 878736199 /nfs/dbraw/zinc/73/61/99/878736199.db2.gz DRDUREBRWPMYPC-CJNGLKHVSA-N 0 0 413.440 4.477 20 5 HIBDRN Cc1ncccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000465297173 878739818 /nfs/dbraw/zinc/73/98/18/878739818.db2.gz SMZOMUOCKFFHPT-UHFFFAOYSA-N 0 0 408.380 4.172 20 5 HIBDRN CC(C)(NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc(C(F)(F)F)cs1 ZINC000465303447 878748501 /nfs/dbraw/zinc/74/85/01/878748501.db2.gz CPSSPOJGMJFQGZ-UHFFFAOYSA-N 0 0 412.393 4.076 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000465308188 878753672 /nfs/dbraw/zinc/75/36/72/878753672.db2.gz QESCCKMEAAVASH-CQSZACIVSA-N 0 0 419.503 4.147 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000465320280 878762999 /nfs/dbraw/zinc/76/29/99/878762999.db2.gz VZPLWIXXJOLUBX-CYBMUJFWSA-N 0 0 423.391 4.214 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1C ZINC000465334807 878773698 /nfs/dbraw/zinc/77/36/98/878773698.db2.gz SFDRSUUJSCLLFZ-UHFFFAOYSA-N 0 0 411.458 4.050 20 5 HIBDRN COc1ccc(C2CCN(C(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC000465378151 878819281 /nfs/dbraw/zinc/81/92/81/878819281.db2.gz DNDVVSSHCVNMMH-UHFFFAOYSA-N 0 0 416.499 4.354 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(c1ccc(F)cc1)C1CCCC1 ZINC000465470115 878906313 /nfs/dbraw/zinc/90/63/13/878906313.db2.gz MCGATJDVTANVRH-UHFFFAOYSA-N 0 0 400.406 4.023 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000503416560 912401918 /nfs/dbraw/zinc/40/19/18/912401918.db2.gz BWMCJWSQLFWZGW-UHFFFAOYSA-N 0 0 415.393 4.073 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)c1ccc(Oc2ccccc2)cc1 ZINC000503427718 912424862 /nfs/dbraw/zinc/42/48/62/912424862.db2.gz NEVKJSGXWXMPPW-UHFFFAOYSA-N 0 0 414.439 4.221 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)NCCc2ccccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000465654023 879178065 /nfs/dbraw/zinc/17/80/65/879178065.db2.gz DOYLNNLJLXGQEN-MRXNPFEDSA-N 0 0 415.490 4.241 20 5 HIBDRN COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465701459 879264171 /nfs/dbraw/zinc/26/41/71/879264171.db2.gz YHMNFHKSKLPCOZ-AWEZNQCLSA-N 0 0 417.437 4.057 20 5 HIBDRN CC(C)Oc1ccccc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465716873 879289909 /nfs/dbraw/zinc/28/99/09/879289909.db2.gz GXKGWPCCGQUPRW-UHFFFAOYSA-N 0 0 413.474 4.135 20 5 HIBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 ZINC000503444880 912464917 /nfs/dbraw/zinc/46/49/17/912464917.db2.gz BLULXYPHUVJWPO-NRFANRHFSA-N 0 0 413.499 4.176 20 5 HIBDRN CSc1ccc(C(=O)NCc2ccnc(OC3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000503449551 912470755 /nfs/dbraw/zinc/47/07/55/912470755.db2.gz QLQQACNPFQQSQG-UHFFFAOYSA-N 0 0 401.488 4.353 20 5 HIBDRN C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000465979129 879648715 /nfs/dbraw/zinc/64/87/15/879648715.db2.gz HXHGIXUURNPWIL-IERDGZPVSA-N 0 0 415.465 4.228 20 5 HIBDRN C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000465979131 879650753 /nfs/dbraw/zinc/65/07/53/879650753.db2.gz HXHGIXUURNPWIL-IIBYNOLFSA-N 0 0 415.465 4.228 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000465990939 879666332 /nfs/dbraw/zinc/66/63/32/879666332.db2.gz DSPHSCMDBCANMN-MRXNPFEDSA-N 0 0 402.882 4.059 20 5 HIBDRN Cc1ccc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000466224693 879921900 /nfs/dbraw/zinc/92/19/00/879921900.db2.gz GSHJHGQQJZALAN-OXJNMPFZSA-N 0 0 413.474 4.021 20 5 HIBDRN COc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(C(F)(F)F)c1 ZINC000466225755 879925103 /nfs/dbraw/zinc/92/51/03/879925103.db2.gz IZPXYBVCNWIKIJ-UHFFFAOYSA-N 0 0 417.771 4.275 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1OCc1cscn1 ZINC000503475663 912513238 /nfs/dbraw/zinc/51/32/38/912513238.db2.gz GJAHTBPKWQYVAF-UHFFFAOYSA-N 0 0 401.469 4.361 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000466274072 880012840 /nfs/dbraw/zinc/01/28/40/880012840.db2.gz PEIWDEFURSCLLB-UHFFFAOYSA-N 0 0 422.718 4.381 20 5 HIBDRN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466282166 880021567 /nfs/dbraw/zinc/02/15/67/880021567.db2.gz ABWOWZFKYDMVPN-UHFFFAOYSA-N 0 0 407.829 4.302 20 5 HIBDRN Cc1noc(C)c1COc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466286927 880032127 /nfs/dbraw/zinc/03/21/27/880032127.db2.gz LGVVWXHYOMJMKT-UHFFFAOYSA-N 0 0 415.833 4.362 20 5 HIBDRN O=C(NCc1ccccc1F)c1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000466294767 880041821 /nfs/dbraw/zinc/04/18/21/880041821.db2.gz CDIHKBYKRIGBON-UHFFFAOYSA-N 0 0 411.364 4.055 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466296089 880042545 /nfs/dbraw/zinc/04/25/45/880042545.db2.gz GYJXDPLLZCGCQT-UHFFFAOYSA-N 0 0 421.840 4.033 20 5 HIBDRN O=C(CC1CCCC1)NC1CCC(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000466298746 880046005 /nfs/dbraw/zinc/04/60/05/880046005.db2.gz PQSQCXWIFMEWMS-UHFFFAOYSA-N 0 0 421.925 4.120 20 5 HIBDRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])c2)cc1 ZINC000466310533 880064367 /nfs/dbraw/zinc/06/43/67/880064367.db2.gz YJIFKPYZFXBFMH-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466313169 880067056 /nfs/dbraw/zinc/06/70/56/880067056.db2.gz FWEBQQRUQSDGAL-UHFFFAOYSA-N 0 0 402.813 4.120 20 5 HIBDRN CCCOc1cc(NC(=O)N2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1OCCC ZINC000466379502 880140089 /nfs/dbraw/zinc/14/00/89/880140089.db2.gz YMOXJBFTEKPLBR-LIRRHRJNSA-N 0 0 409.483 4.061 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCc1cc2cc(Br)ccc2[nH]1 ZINC000466412920 880180826 /nfs/dbraw/zinc/18/08/26/880180826.db2.gz YKVALAGWIFIUHE-UHFFFAOYSA-N 0 0 420.288 4.247 20 5 HIBDRN 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ZINC000467219181 880948776 /nfs/dbraw/zinc/94/87/76/880948776.db2.gz SFDBWMXEMKBLID-XIKOKIGWSA-N 0 0 407.829 4.059 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000467229886 880957785 /nfs/dbraw/zinc/95/77/85/880957785.db2.gz MLRXINQTVRJZDO-HNNXBMFYSA-N 0 0 419.840 4.192 20 5 HIBDRN CN(Cc1cccc([N+](=O)[O-])c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467265734 881003968 /nfs/dbraw/zinc/00/39/68/881003968.db2.gz JSUITOZVQMBYLG-UHFFFAOYSA-N 0 0 423.307 4.139 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)c1 ZINC000467323548 881072662 /nfs/dbraw/zinc/07/26/62/881072662.db2.gz RUKRKHGVCHMWRU-UHFFFAOYSA-N 0 0 423.450 4.460 20 5 HIBDRN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000467335396 881084269 /nfs/dbraw/zinc/08/42/69/881084269.db2.gz QSZLFBOSAFOGSG-BXUZGUMPSA-N 0 0 422.407 4.003 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000467354731 881116831 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O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469413199 883585811 /nfs/dbraw/zinc/58/58/11/883585811.db2.gz BWFJKDLRFIYCBJ-UHFFFAOYSA-N 0 0 401.413 4.305 20 5 HIBDRN Cc1cc(NC(=O)CCc2c[nH]c3ccc(C)cc23)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000469419447 883596862 /nfs/dbraw/zinc/59/68/62/883596862.db2.gz DPEZZIRNUOHBHX-UHFFFAOYSA-N 0 0 403.442 4.450 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(C)=O)cc1OC ZINC000503628876 912727724 /nfs/dbraw/zinc/72/77/24/912727724.db2.gz OQVSRKHAUWEKGG-UHFFFAOYSA-N 0 0 403.460 4.316 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)cc([N+](=O)[O-])c1OC ZINC000469429075 883613350 /nfs/dbraw/zinc/61/33/50/883613350.db2.gz YURHWMJQAGFIDK-GFCCVEGCSA-N 0 0 418.421 4.031 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469451953 883653408 /nfs/dbraw/zinc/65/34/08/883653408.db2.gz HYEWZDPHZDKNTC-RYUDHWBXSA-N 0 0 409.820 4.343 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)C2 ZINC000469466172 883685274 /nfs/dbraw/zinc/68/52/74/883685274.db2.gz GMMUBEOPSWGRGM-HSZRJFAPSA-N 0 0 402.450 4.472 20 5 HIBDRN CC(C)[C@@H]1CCC[C@H](NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000469499608 883742919 /nfs/dbraw/zinc/74/29/19/883742919.db2.gz MJGQSTUCTLISRI-CVEARBPZSA-N 0 0 403.479 4.004 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCSc4ccncc43)cc2[N+](=O)[O-])C1 ZINC000469534159 883804101 /nfs/dbraw/zinc/80/41/01/883804101.db2.gz XKFMOOVEJANFRE-GASCZTMLSA-N 0 0 412.515 4.225 20 5 HIBDRN Cc1[nH]nc(C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)c1[N+](=O)[O-] ZINC000469710145 883882275 /nfs/dbraw/zinc/88/22/75/883882275.db2.gz OHWBZRAWNYAVKG-UHFFFAOYSA-N 0 0 406.324 4.036 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCC(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000469934386 884129411 /nfs/dbraw/zinc/12/94/11/884129411.db2.gz HWQRLVPZNPNHMU-UHFFFAOYSA-N 0 0 404.264 4.081 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C)c2Br)cc1OC ZINC000469962468 884168474 /nfs/dbraw/zinc/16/84/74/884168474.db2.gz DUKIJKBMEUIVNT-UHFFFAOYSA-N 0 0 423.263 4.003 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2ccncc2)cc1 ZINC000470015690 884231730 /nfs/dbraw/zinc/23/17/30/884231730.db2.gz BVDXOQBVKOYYAF-INIZCTEOSA-N 0 0 413.437 4.334 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2 ZINC000470025674 884246239 /nfs/dbraw/zinc/24/62/39/884246239.db2.gz ZCXRKDPURTVZFX-UHFFFAOYSA-N 0 0 407.451 4.332 20 5 HIBDRN Cc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1Br ZINC000470035426 884270207 /nfs/dbraw/zinc/27/02/07/884270207.db2.gz PYHIEBRZAOGIJZ-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)[C@@H]1C ZINC000470052310 884300250 /nfs/dbraw/zinc/30/02/50/884300250.db2.gz ZGLYNDPMDSUXJZ-WBMJQRKESA-N 0 0 418.833 4.064 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000470052385 884300935 /nfs/dbraw/zinc/30/09/35/884300935.db2.gz ZVZCVPPXNMGRLF-YADHBBJMSA-N 0 0 411.502 4.445 20 5 HIBDRN O=C(NC1CCC2(CCCCC2)CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000470070478 884325425 /nfs/dbraw/zinc/32/54/25/884325425.db2.gz XYDFJXPQFUPRFX-MRXNPFEDSA-N 0 0 419.547 4.270 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(Br)ccc2NC(C)C)cc1[N+](=O)[O-] ZINC000470077540 884334730 /nfs/dbraw/zinc/33/47/30/884334730.db2.gz YHYHPJUKMRJGKS-UHFFFAOYSA-N 0 0 408.252 4.439 20 5 HIBDRN CCOc1cc(N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)ccc1[N+](=O)[O-] ZINC000470078116 884336235 /nfs/dbraw/zinc/33/62/35/884336235.db2.gz DVQZUMBGBHCSNU-HNNXBMFYSA-N 0 0 401.463 4.092 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000470097894 884356462 /nfs/dbraw/zinc/35/64/62/884356462.db2.gz PHSBPSMZSVRRLM-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cc1[N+](=O)[O-] ZINC000470109227 884367943 /nfs/dbraw/zinc/36/79/43/884367943.db2.gz JCZRDQAWSLPRDS-AWEZNQCLSA-N 0 0 406.426 4.026 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCc2c(Br)ccc(F)c2C1 ZINC000470118382 884379467 /nfs/dbraw/zinc/37/94/67/884379467.db2.gz XMQQKGOLVZSMOQ-UHFFFAOYSA-N 0 0 412.190 4.226 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000470132157 884394840 /nfs/dbraw/zinc/39/48/40/884394840.db2.gz JTZAPAVDGVXBKK-LBPRGKRZSA-N 0 0 415.247 4.034 20 5 HIBDRN Cc1cccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1Br ZINC000470146379 884412304 /nfs/dbraw/zinc/41/23/04/884412304.db2.gz IBPMKQSFJHIZJX-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1-n1cccn1 ZINC000470146539 884414527 /nfs/dbraw/zinc/41/45/27/884414527.db2.gz JQEAHUCWVWBCTL-CQSZACIVSA-N 0 0 419.466 4.395 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCc2c(ncn2CCc2ccccc2)C1 ZINC000470209424 884525921 /nfs/dbraw/zinc/52/59/21/884525921.db2.gz INQKJGPVIRYAJF-XMHGGMMESA-N 0 0 402.498 4.496 20 5 HIBDRN C[C@H](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000470209447 884526303 /nfs/dbraw/zinc/52/63/03/884526303.db2.gz IYUPNEPDNPOIAT-LLVKDONJSA-N 0 0 406.364 4.414 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CC(C)C)c1ccccc1OCC(C)C ZINC000470263654 884610980 /nfs/dbraw/zinc/61/09/80/884610980.db2.gz NHHXMZPZDWTVRY-GOSISDBHSA-N 0 0 402.495 4.038 20 5 HIBDRN Cc1csc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2F)n1 ZINC000470264789 884615140 /nfs/dbraw/zinc/61/51/40/884615140.db2.gz WPHAEYNFPVDQFS-UHFFFAOYSA-N 0 0 423.447 4.400 20 5 HIBDRN CC(C)(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c2ccccc21 ZINC000470272916 884629835 /nfs/dbraw/zinc/62/98/35/884629835.db2.gz JHMALNTZQACSCU-SFHVURJKSA-N 0 0 409.486 4.222 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000470274646 884631306 /nfs/dbraw/zinc/63/13/06/884631306.db2.gz LDSLLNXTVXPQCS-DENIHFKCSA-N 0 0 409.486 4.154 20 5 HIBDRN Cc1ccc2c(c1)nc(CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C)n2C ZINC000470351792 884745278 /nfs/dbraw/zinc/74/52/78/884745278.db2.gz NPAASPSFTNROHI-UHFFFAOYSA-N 0 0 412.515 4.468 20 5 HIBDRN CCOc1cc(NC(=O)NCCc2cc(C)ccc2OC)c([N+](=O)[O-])cc1OCC ZINC000503906061 912859517 /nfs/dbraw/zinc/85/95/17/912859517.db2.gz YHGOHDQVMVONJE-UHFFFAOYSA-N 0 0 417.462 4.073 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1C(=O)N(C)C(C)C ZINC000470433446 884833128 /nfs/dbraw/zinc/83/31/28/884833128.db2.gz WBVFGAGCWMREFY-UHFFFAOYSA-N 0 0 415.465 4.439 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1C(=O)N(C)C(C)C ZINC000470457414 884852512 /nfs/dbraw/zinc/85/25/12/884852512.db2.gz DRWUIGPTIAXYLK-UHFFFAOYSA-N 0 0 421.400 4.237 20 5 HIBDRN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000470618722 885042621 /nfs/dbraw/zinc/04/26/21/885042621.db2.gz LLRANDGCZKLUDL-GXSJLCMTSA-N 0 0 413.318 4.215 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000470635226 885060457 /nfs/dbraw/zinc/06/04/57/885060457.db2.gz JHXKYJZGKJABRB-UHFFFAOYSA-N 0 0 406.826 4.477 20 5 HIBDRN CCC1(CC)CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000470659039 885082873 /nfs/dbraw/zinc/08/28/73/885082873.db2.gz KVUXHZHRWVXNFS-HNNXBMFYSA-N 0 0 407.536 4.080 20 5 HIBDRN COC(=O)c1cc(C(=O)N(c2ccccc2)C2Cc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000470774546 885240839 /nfs/dbraw/zinc/24/08/39/885240839.db2.gz SXPPIKYMZGWZBB-UHFFFAOYSA-N 0 0 416.433 4.196 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000470822874 885310831 /nfs/dbraw/zinc/31/08/31/885310831.db2.gz SWJZRKVJCGLVJU-LBPRGKRZSA-N 0 0 423.263 4.012 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000470843608 885339608 /nfs/dbraw/zinc/33/96/08/885339608.db2.gz DEVNHZVSOKUJMO-UHFFFAOYSA-N 0 0 411.458 4.118 20 5 HIBDRN Cc1cc(Sc2nc3scc(-c4ccccc4)c3c(=O)n2C)ncc1[N+](=O)[O-] ZINC000470857220 885351869 /nfs/dbraw/zinc/35/18/69/885351869.db2.gz BNZNMURLPAXVOG-UHFFFAOYSA-N 0 0 410.480 4.425 20 5 HIBDRN CCCOc1cc(F)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000470892559 885390321 /nfs/dbraw/zinc/39/03/21/885390321.db2.gz SRUJSLHWUDRGFF-UHFFFAOYSA-N 0 0 411.227 4.466 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)CSCC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000470949665 885449638 /nfs/dbraw/zinc/44/96/38/885449638.db2.gz XILSACIIEICNFB-ZDUSSCGKSA-N 0 0 406.891 4.350 20 5 HIBDRN CCOc1ccc(NC(=O)CN[C@H](c2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000471064688 885581516 /nfs/dbraw/zinc/58/15/16/885581516.db2.gz FVEINTZNMWKVFL-HSZRJFAPSA-N 0 0 420.469 4.015 20 5 HIBDRN CCc1oc(C(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1C ZINC000471087580 885615065 /nfs/dbraw/zinc/61/50/65/885615065.db2.gz UKKRCPIWNYYYDX-UHFFFAOYSA-N 0 0 415.471 4.475 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Br)c(C)cc1OC ZINC000471131648 885671322 /nfs/dbraw/zinc/67/13/22/885671322.db2.gz AMDPATFIUZQKFO-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000471145316 885691286 /nfs/dbraw/zinc/69/12/86/885691286.db2.gz MRCSSAHDBRHENI-UHFFFAOYSA-N 0 0 422.319 4.315 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(F)cc(F)c1Br ZINC000471164192 885720095 /nfs/dbraw/zinc/72/00/95/885720095.db2.gz DOMRUPPURARBLW-UHFFFAOYSA-N 0 0 401.163 4.287 20 5 HIBDRN CCCOc1cc(NC(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000471170602 885728109 /nfs/dbraw/zinc/72/81/09/885728109.db2.gz VWTAJTWBLRGGGU-XOBRGWDASA-N 0 0 421.494 4.204 20 5 HIBDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471218940 885793546 /nfs/dbraw/zinc/79/35/46/885793546.db2.gz FTWFZTDEPNHVJL-ZDUSSCGKSA-N 0 0 401.850 4.132 20 5 HIBDRN Cc1cccc2ncnc(N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c12 ZINC000471244167 885821550 /nfs/dbraw/zinc/82/15/50/885821550.db2.gz CLHYOLUANKWFBU-UHFFFAOYSA-N 0 0 417.391 4.192 20 5 HIBDRN COC1CCC(C)(CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000471266840 885845860 /nfs/dbraw/zinc/84/58/60/885845860.db2.gz WMNBKADUROBLNU-GENZYMQKSA-N 0 0 403.523 4.156 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCC)c(OC)c1 ZINC000504076690 912980874 /nfs/dbraw/zinc/98/08/74/912980874.db2.gz LQULGDDUFGIIEG-UHFFFAOYSA-N 0 0 404.488 4.434 20 5 HIBDRN C[C@H](NC(=O)COc1c(Cl)cccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000471295596 885881613 /nfs/dbraw/zinc/88/16/13/885881613.db2.gz BPRPIGXAMQXADE-JTQLQIEISA-N 0 0 418.755 4.403 20 5 HIBDRN CN(Cc1ccccc1Br)C(=O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000471295459 885881729 /nfs/dbraw/zinc/88/17/29/885881729.db2.gz KFVFFUGZJJJRQF-UHFFFAOYSA-N 0 0 413.655 4.048 20 5 HIBDRN COCCC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000471309420 885899669 /nfs/dbraw/zinc/89/96/69/885899669.db2.gz GSBRTWBCWNDMPF-OAHLLOKOSA-N 0 0 421.291 4.125 20 5 HIBDRN COCCC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000471312663 885903355 /nfs/dbraw/zinc/90/33/55/885903355.db2.gz BIRSTXAVLIFHHC-QGZVFWFLSA-N 0 0 421.291 4.125 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000471320499 885911107 /nfs/dbraw/zinc/91/11/07/885911107.db2.gz KLSBDZVQFPOMNM-MRXNPFEDSA-N 0 0 410.396 4.262 20 5 HIBDRN COC(=O)c1nc([C@@H]2CCCN2C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)sc1C ZINC000471325925 885920634 /nfs/dbraw/zinc/92/06/34/885920634.db2.gz BOMCIRLWCCOHMZ-HNNXBMFYSA-N 0 0 417.487 4.247 20 5 HIBDRN COCCN(C(=O)CCc1ccc(C)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000471374931 886018400 /nfs/dbraw/zinc/01/84/00/886018400.db2.gz UTUOWDGNLJIDSX-UHFFFAOYSA-N 0 0 415.471 4.232 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000471432951 886090094 /nfs/dbraw/zinc/09/00/94/886090094.db2.gz NTMSZWCRDADVAA-XHDPSFHLSA-N 0 0 413.630 4.436 20 5 HIBDRN COc1ccccc1[C@@H](CC(C)C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000471438425 886098860 /nfs/dbraw/zinc/09/88/60/886098860.db2.gz XFQFDRBKAZGSEI-LJQANCHMSA-N 0 0 423.473 4.010 20 5 HIBDRN COc1cccc([C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2OC)c1 ZINC000471451188 886125970 /nfs/dbraw/zinc/12/59/70/886125970.db2.gz JXPPCZCIVRNFDD-QHCPKHFHSA-N 0 0 424.428 4.199 20 5 HIBDRN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000471457601 886134108 /nfs/dbraw/zinc/13/41/08/886134108.db2.gz FRKHIZDIGBTGQM-APWZRJJASA-N 0 0 404.470 4.089 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)ccc1[N+](=O)[O-] ZINC000471461040 886142327 /nfs/dbraw/zinc/14/23/27/886142327.db2.gz YLPPFFCSGFEJPN-UHFFFAOYSA-N 0 0 406.442 4.394 20 5 HIBDRN COc1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2cc(F)ccc2OC)c1 ZINC000471472684 886166036 /nfs/dbraw/zinc/16/60/36/886166036.db2.gz UNNQRSQMQKXTAS-LJQANCHMSA-N 0 0 416.430 4.332 20 5 HIBDRN C[C@@H](OC[C@@H](O)COc1ccc([N+](=O)[O-])c2ncccc12)c1ccc(Cl)cc1 ZINC000471474100 886166926 /nfs/dbraw/zinc/16/69/26/886166926.db2.gz CXDQJGNMWXYNHZ-CZUORRHYSA-N 0 0 402.834 4.314 20 5 HIBDRN CN1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2cc(Cl)ccc21 ZINC000471507073 886208330 /nfs/dbraw/zinc/20/83/30/886208330.db2.gz KMFLJTVLPMZJIO-UHFFFAOYSA-N 0 0 414.874 4.468 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000471526712 886229585 /nfs/dbraw/zinc/22/95/85/886229585.db2.gz GZAGTTAGYXMAJZ-ZBFHGGJFSA-N 0 0 402.422 4.207 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000471532483 886236003 /nfs/dbraw/zinc/23/60/03/886236003.db2.gz OHUBOLPRZHTUPZ-FOIQADDNSA-N 0 0 418.515 4.367 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1(CCOCc2ccccc2)CC1 ZINC000471559979 886269890 /nfs/dbraw/zinc/26/98/90/886269890.db2.gz RSXTYHKJCKUFHN-UHFFFAOYSA-N 0 0 407.470 4.053 20 5 HIBDRN CN(Cc1ccnn1C)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000471565542 886274239 /nfs/dbraw/zinc/27/42/39/886274239.db2.gz DZWSXFPSKHALFQ-UHFFFAOYSA-N 0 0 416.890 4.405 20 5 HIBDRN COc1cc(C(=O)NCCCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000471601753 886316983 /nfs/dbraw/zinc/31/69/83/886316983.db2.gz KQOKPZWMJKYREQ-UHFFFAOYSA-N 0 0 413.257 4.281 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)cc2[N+](=O)[O-])C1 ZINC000471614063 886329913 /nfs/dbraw/zinc/32/99/13/886329913.db2.gz KTUZWBFVSIRYJY-OSPHWJPCSA-N 0 0 421.497 4.103 20 5 HIBDRN C[C@@H](NC(=O)N1CCC[C@H](OCc2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000471694263 886401679 /nfs/dbraw/zinc/40/16/79/886401679.db2.gz TWBMHNQJLZAMMR-BEFAXECRSA-N 0 0 401.438 4.186 20 5 HIBDRN COc1cccc(C=C2CCN(c3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CC2)c1 ZINC000471744601 886470220 /nfs/dbraw/zinc/47/02/20/886470220.db2.gz MERGAKMOUHCRHK-UHFFFAOYSA-N 0 0 409.486 4.425 20 5 HIBDRN COC(=O)c1ccc(C)c(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000471788073 886522512 /nfs/dbraw/zinc/52/25/12/886522512.db2.gz NEZHDZBEFUVXCK-UHFFFAOYSA-N 0 0 404.397 4.168 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccn3)cc2)cc1OC ZINC000504167597 913056488 /nfs/dbraw/zinc/05/64/88/913056488.db2.gz UFYGVOMGGHMARA-UHFFFAOYSA-N 0 0 409.398 4.442 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000471869658 886646725 /nfs/dbraw/zinc/64/67/25/886646725.db2.gz HRZVVBPTZGKMGN-IBGZPJMESA-N 0 0 417.874 4.020 20 5 HIBDRN CC(C)c1cc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000471926112 886716718 /nfs/dbraw/zinc/71/67/18/886716718.db2.gz ZKFAKJUPRYZHTG-UHFFFAOYSA-N 0 0 420.429 4.150 20 5 HIBDRN CCc1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000472022834 886845767 /nfs/dbraw/zinc/84/57/67/886845767.db2.gz SAEMSVAPDYBTGH-GOSISDBHSA-N 0 0 419.275 4.133 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1cc[nH]c(=O)c1 ZINC000472074771 886878471 /nfs/dbraw/zinc/87/84/71/886878471.db2.gz OYSDBXCAFTYFKO-UHFFFAOYSA-N 0 0 417.780 4.210 20 5 HIBDRN COCCC1(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCC1 ZINC000472168539 886969667 /nfs/dbraw/zinc/96/96/67/886969667.db2.gz GNLZULRBDUXCBT-INIZCTEOSA-N 0 0 412.490 4.100 20 5 HIBDRN CC(=O)Nc1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1 ZINC000472236550 887043371 /nfs/dbraw/zinc/04/33/71/887043371.db2.gz DFHBSFBYPLYIDI-UHFFFAOYSA-N 0 0 423.391 4.325 20 5 HIBDRN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n(-c2ccccc2)n1 ZINC000504252327 913118087 /nfs/dbraw/zinc/11/80/87/913118087.db2.gz IUXFVFPBQLWEPU-UHFFFAOYSA-N 0 0 408.461 4.288 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc1 ZINC000472378858 887220628 /nfs/dbraw/zinc/22/06/28/887220628.db2.gz GCRJCCHTVMILKN-AWEZNQCLSA-N 0 0 419.441 4.039 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000472391462 887236230 /nfs/dbraw/zinc/23/62/30/887236230.db2.gz WEFWPGOMEZJSHN-ZDUSSCGKSA-N 0 0 412.471 4.177 20 5 HIBDRN Cc1cc(-c2noc([C@@H](C)NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)n2)ccc1F ZINC000472395335 887242479 /nfs/dbraw/zinc/24/24/79/887242479.db2.gz NPTUFRRTIWKPNS-LLVKDONJSA-N 0 0 409.377 4.065 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1[N+](=O)[O-] ZINC000504269489 913129517 /nfs/dbraw/zinc/12/95/17/913129517.db2.gz AVBCGAHCJJFJKG-UHFFFAOYSA-N 0 0 406.748 4.117 20 5 HIBDRN O=C(NCCc1ccccc1OC(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000472482376 887347803 /nfs/dbraw/zinc/34/78/03/887347803.db2.gz XRMOCJWSEVYYRI-UHFFFAOYSA-N 0 0 404.291 4.188 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(OC(F)F)c1 ZINC000472505767 887373960 /nfs/dbraw/zinc/37/39/60/887373960.db2.gz URFVBNBGRUBPCC-CYBMUJFWSA-N 0 0 419.363 4.021 20 5 HIBDRN CCc1[nH]nc(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)c1-c1ccc2c(c1)OCO2 ZINC000472604975 887476743 /nfs/dbraw/zinc/47/67/43/887476743.db2.gz HNAYXFPBZLFFLD-UHFFFAOYSA-N 0 0 408.414 4.091 20 5 HIBDRN CCOCCC1(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000472639851 887504769 /nfs/dbraw/zinc/50/47/69/887504769.db2.gz VLYMUXUHCSMBPV-UHFFFAOYSA-N 0 0 419.522 4.135 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCSC2(CCOCC2)C1 ZINC000472648252 887511296 /nfs/dbraw/zinc/51/12/96/887511296.db2.gz GUOAIDPROQVXAD-UHFFFAOYSA-N 0 0 424.320 4.008 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)cc1 ZINC000472664001 887521093 /nfs/dbraw/zinc/52/10/93/887521093.db2.gz QPLKFIZZRDVDBJ-LLVKDONJSA-N 0 0 400.822 4.352 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1-n1cccn1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000472678096 887532656 /nfs/dbraw/zinc/53/26/56/887532656.db2.gz NYEQEKYQPVWNLR-UHFFFAOYSA-N 0 0 408.748 4.288 20 5 HIBDRN Cc1ccccc1CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472712439 887562443 /nfs/dbraw/zinc/56/24/43/887562443.db2.gz HHQNJWQVTJNESH-UHFFFAOYSA-N 0 0 421.428 4.210 20 5 HIBDRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1CCCOc1ccc(F)cc1 ZINC000504311692 913159608 /nfs/dbraw/zinc/15/96/08/913159608.db2.gz QVDRHWRNOCMVPN-UHFFFAOYSA-N 0 0 412.421 4.269 20 5 HIBDRN Cc1nc2cc(C(=O)NCc3ccc([N+](=O)[O-])cc3)ccc2n1Cc1ccsc1 ZINC000472778622 887625078 /nfs/dbraw/zinc/62/50/78/887625078.db2.gz WSPNUWKOYCDETA-UHFFFAOYSA-N 0 0 406.467 4.293 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(Br)cccc21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000504330518 913173198 /nfs/dbraw/zinc/17/31/98/913173198.db2.gz BLBOPANDMQALSP-CYBMUJFWSA-N 0 0 416.231 4.092 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)cc2[N+](=O)[O-])n1 ZINC000472895392 887744133 /nfs/dbraw/zinc/74/41/33/887744133.db2.gz HSEVZAVLUINUDY-FMKPAKJESA-N 0 0 419.528 4.198 20 5 HIBDRN COc1cccc(C=C2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000473025001 887850095 /nfs/dbraw/zinc/85/00/95/887850095.db2.gz RGEXALRORDVUSV-QGZVFWFLSA-N 0 0 409.486 4.418 20 5 HIBDRN COc1ccc(CNC(=O)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1[N+](=O)[O-] ZINC000473228326 888001904 /nfs/dbraw/zinc/00/19/04/888001904.db2.gz XPMIAZYVLYJBJB-UHFFFAOYSA-N 0 0 413.474 4.105 20 5 HIBDRN O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000473247961 888014589 /nfs/dbraw/zinc/01/45/89/888014589.db2.gz FLJGIKDMNKIASQ-UHFFFAOYSA-N 0 0 423.326 4.146 20 5 HIBDRN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000473282312 888038882 /nfs/dbraw/zinc/03/88/82/888038882.db2.gz NAUKQLQFUUERBF-LEWJYISDSA-N 0 0 406.463 4.134 20 5 HIBDRN O=C(Nc1cn(Cc2ccccc2)nn1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000473381211 888095457 /nfs/dbraw/zinc/09/54/57/888095457.db2.gz ZMYZTGUAKORZKY-UHFFFAOYSA-N 0 0 414.425 4.231 20 5 HIBDRN C[C@@H]1CCC[C@H](CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000504388449 913211951 /nfs/dbraw/zinc/21/19/51/913211951.db2.gz NYDTZPNEXWPCOL-OLZOCXBDSA-N 0 0 423.516 4.039 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000504393423 913214744 /nfs/dbraw/zinc/21/47/44/913214744.db2.gz FSHQWYBHCINZIS-LQAWEQHXSA-N 0 0 401.260 4.439 20 5 HIBDRN CCO[C@H](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCC1 ZINC000473449592 888173509 /nfs/dbraw/zinc/17/35/09/888173509.db2.gz PUMRYERXACWMNO-HSZRJFAPSA-N 0 0 406.526 4.256 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCSC[C@@H]3c3nccs3)o2)c1 ZINC000473451529 888177100 /nfs/dbraw/zinc/17/71/00/888177100.db2.gz VKIHTCOCTRVYLN-OAHLLOKOSA-N 0 0 402.501 4.039 20 5 HIBDRN Cc1ccc(I)c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000504408804 913227759 /nfs/dbraw/zinc/22/77/59/913227759.db2.gz VIAJXMVWELTJNH-NSHDSACASA-N 0 0 422.222 4.099 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H](C)[C@H](C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000473558855 888298696 /nfs/dbraw/zinc/29/86/96/888298696.db2.gz CGIPBPRHXHUEGY-JKSUJKDBSA-N 0 0 406.486 4.378 20 5 HIBDRN COc1cccc(C(=O)c2ccc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000473662093 888415959 /nfs/dbraw/zinc/41/59/59/888415959.db2.gz VOCVUXWUISWRFU-HNNXBMFYSA-N 0 0 404.422 4.325 20 5 HIBDRN COc1cc(N[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)C2)cc(OC)c1 ZINC000473784139 888592270 /nfs/dbraw/zinc/59/22/70/888592270.db2.gz GEZYVLSQJVMYNS-MRXNPFEDSA-N 0 0 414.462 4.029 20 5 HIBDRN O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000473855195 888704821 /nfs/dbraw/zinc/70/48/21/888704821.db2.gz ICRSNZJVWZGQCF-LJQANCHMSA-N 0 0 408.414 4.001 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000473901484 888777310 /nfs/dbraw/zinc/77/73/10/888777310.db2.gz LUKNXEGLUBXHCI-CYBMUJFWSA-N 0 0 413.405 4.126 20 5 HIBDRN O=C1[C@@H](NCc2csc([N+](=O)[O-])c2)CCCN1c1ccc(Cl)cc1Cl ZINC000474008258 888866342 /nfs/dbraw/zinc/86/63/42/888866342.db2.gz HZONIYFSZNBSJA-ZDUSSCGKSA-N 0 0 400.287 4.248 20 5 HIBDRN COC(=O)COc1ccc(CNc2ccc(-c3nc(C)cs3)cc2)cc1[N+](=O)[O-] ZINC000474014554 888869584 /nfs/dbraw/zinc/86/95/84/888869584.db2.gz DNBAHVZCLZUCJK-UHFFFAOYSA-N 0 0 413.455 4.191 20 5 HIBDRN Cn1cc(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2ccc(F)cc21 ZINC000474080954 888907116 /nfs/dbraw/zinc/90/71/16/888907116.db2.gz HOIUJIVTCHAPRE-UHFFFAOYSA-N 0 0 410.449 4.142 20 5 HIBDRN Cn1cccc1[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000474111331 888931190 /nfs/dbraw/zinc/93/11/90/888931190.db2.gz DUEFBAPSLHRSHJ-AWEZNQCLSA-N 0 0 418.302 4.156 20 5 HIBDRN COCCN(C(=O)[C@H]1CC12CCCC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000474216572 889055053 /nfs/dbraw/zinc/05/50/53/889055053.db2.gz DVRACMHZPNADTH-MRXNPFEDSA-N 0 0 401.488 4.278 20 5 HIBDRN C[C@H](C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000474235515 889080362 /nfs/dbraw/zinc/08/03/62/889080362.db2.gz UZHWUAUKNDZBGF-JMERFSKESA-N 0 0 406.841 4.479 20 5 HIBDRN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)NCc1ccccc1OC1CCCC1 ZINC000504555905 913330306 /nfs/dbraw/zinc/33/03/06/913330306.db2.gz PRSPEVJKKMKOTH-UHFFFAOYSA-N 0 0 420.469 4.096 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000474608867 889475413 /nfs/dbraw/zinc/47/54/13/889475413.db2.gz UMGGFVGXKZOOER-GFCCVEGCSA-N 0 0 403.489 4.115 20 5 HIBDRN O=C(NCC1(CO)CCCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000474635582 889497535 /nfs/dbraw/zinc/49/75/35/889497535.db2.gz OLZRNDOSTGZAIQ-UHFFFAOYSA-N 0 0 404.850 4.323 20 5 HIBDRN COc1ccc(CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)c2nccs2)c(OC)c1 ZINC000474727668 889583082 /nfs/dbraw/zinc/58/30/82/889583082.db2.gz BFCFQMDMJYEFTE-UHFFFAOYSA-N 0 0 417.418 4.055 20 5 HIBDRN 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891386993 /nfs/dbraw/zinc/38/69/93/891386993.db2.gz QKIIHIBYQHILBM-UHFFFAOYSA-N 0 0 415.833 4.193 20 5 HIBDRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000476555737 891474920 /nfs/dbraw/zinc/47/49/20/891474920.db2.gz YKEQREVFAMLWMC-UHFFFAOYSA-N 0 0 411.483 4.174 20 5 HIBDRN Cc1sc(S(=O)(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000476628536 891563984 /nfs/dbraw/zinc/56/39/84/891563984.db2.gz JFRQHMPZAVYISA-OAHLLOKOSA-N 0 0 409.533 4.084 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000476663926 891611540 /nfs/dbraw/zinc/61/15/40/891611540.db2.gz KUMJZGXYLWOIPZ-UHFFFAOYSA-N 0 0 423.347 4.001 20 5 HIBDRN COc1c(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000476665046 891613294 /nfs/dbraw/zinc/61/32/94/891613294.db2.gz HNAAJFAFMGCPMG-AWEZNQCLSA-N 0 0 420.290 4.238 20 5 HIBDRN COc1c(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000476665145 891613714 /nfs/dbraw/zinc/61/37/14/891613714.db2.gz HYKHACGNTZWYEA-SFHVURJKSA-N 0 0 422.441 4.411 20 5 HIBDRN Cc1cc(-c2csc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)ccc1F ZINC000476692611 891646243 /nfs/dbraw/zinc/64/62/43/891646243.db2.gz NTURKGMGEUCHQE-UHFFFAOYSA-N 0 0 415.402 4.189 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000476811311 891797206 /nfs/dbraw/zinc/79/72/06/891797206.db2.gz WXLWOWKNZVKCBX-UHFFFAOYSA-N 0 0 412.442 4.064 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1Cn1cccn1 ZINC000476826145 891808310 /nfs/dbraw/zinc/80/83/10/891808310.db2.gz VUULYWIUYKPILB-UHFFFAOYSA-N 0 0 405.439 4.215 20 5 HIBDRN COc1c(C(=O)N(Cc2cccc(Br)c2)CC2CC2)cccc1[N+](=O)[O-] ZINC000476965775 891895880 /nfs/dbraw/zinc/89/58/80/891895880.db2.gz CEDXXSFYNCHLGR-UHFFFAOYSA-N 0 0 419.275 4.418 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000476991239 891915883 /nfs/dbraw/zinc/91/58/83/891915883.db2.gz BTAIIWTYMNGXTR-FZKQIMNGSA-N 0 0 423.391 4.014 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CSCCOc1ccc(Cl)cc1Br ZINC000476995438 891922512 /nfs/dbraw/zinc/92/25/12/891922512.db2.gz LTBIHJROQWEHOK-UHFFFAOYSA-N 0 0 406.689 4.056 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000476997837 891923541 /nfs/dbraw/zinc/92/35/41/891923541.db2.gz RXFWBPCXPNPKLG-FZKQIMNGSA-N 0 0 423.391 4.014 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CSCc1cc(Br)ccc1OC(F)F ZINC000477015798 891942640 /nfs/dbraw/zinc/94/26/40/891942640.db2.gz YLYHOVVAWMCXPP-UHFFFAOYSA-N 0 0 408.224 4.126 20 5 HIBDRN Cc1c(CNC(=O)c2cc3sc(N4CCCC4)nc3s2)cccc1[N+](=O)[O-] ZINC000477016831 891944504 /nfs/dbraw/zinc/94/45/04/891944504.db2.gz LUWCKLZWRDQYDV-UHFFFAOYSA-N 0 0 402.501 4.105 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2nc3cccc(Cl)c3n2C)cc1[N+](=O)[O-] ZINC000477037852 891962349 /nfs/dbraw/zinc/96/23/49/891962349.db2.gz XKHMIERCSSBDRS-GFCCVEGCSA-N 0 0 401.854 4.004 20 5 HIBDRN COC(=O)[C@H](Cc1ccc(C)cc1)SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000477045435 891973018 /nfs/dbraw/zinc/97/30/18/891973018.db2.gz QODBUEMTPAAWII-KRWDZBQOSA-N 0 0 422.890 4.013 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000477061998 891995957 /nfs/dbraw/zinc/99/59/57/891995957.db2.gz GXIUCHIFEBKHDY-UHFFFAOYSA-N 0 0 419.412 4.118 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000477075689 892010440 /nfs/dbraw/zinc/01/04/40/892010440.db2.gz LFMRFECQPAXYGO-UHFFFAOYSA-N 0 0 403.435 4.373 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cc(F)cc(Br)c1 ZINC000477158327 892079714 /nfs/dbraw/zinc/07/97/14/892079714.db2.gz ABGHPAMLNNREAK-UHFFFAOYSA-N 0 0 401.619 4.388 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000477214079 892147297 /nfs/dbraw/zinc/14/72/97/892147297.db2.gz AZRXQAQREDTSID-UHFFFAOYSA-N 0 0 407.430 4.229 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N(C)Cc3ccc(F)cc3F)cc2[N+](=O)[O-])CC1 ZINC000477222654 892157617 /nfs/dbraw/zinc/15/76/17/892157617.db2.gz UBLJTMWNAKBMSI-UHFFFAOYSA-N 0 0 403.429 4.382 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000477283211 892237546 /nfs/dbraw/zinc/23/75/46/892237546.db2.gz UJJADYSSKICVCO-UHFFFAOYSA-N 0 0 423.847 4.229 20 5 HIBDRN COc1cc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2F)ccc1OC1CCCC1 ZINC000477313822 892276765 /nfs/dbraw/zinc/27/67/65/892276765.db2.gz AVRURNISMVGWJX-AWEZNQCLSA-N 0 0 416.449 4.484 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3occc3-c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000477355318 892320238 /nfs/dbraw/zinc/32/02/38/892320238.db2.gz PLVGZCKIHVEDBK-UHFFFAOYSA-N 0 0 421.453 4.216 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000477362823 892327136 /nfs/dbraw/zinc/32/71/36/892327136.db2.gz BWEJEXHIFAMFPU-UHFFFAOYSA-N 0 0 410.817 4.456 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000477365790 892329293 /nfs/dbraw/zinc/32/92/93/892329293.db2.gz PSPYIBZKZJFERE-UHFFFAOYSA-N 0 0 423.856 4.491 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3c(C)oc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000477373491 892335807 /nfs/dbraw/zinc/33/58/07/892335807.db2.gz LUYPVINWQARJKK-UHFFFAOYSA-N 0 0 409.442 4.011 20 5 HIBDRN COC(=O)c1cc(-c2csc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])n2)c[nH]1 ZINC000477375264 892336201 /nfs/dbraw/zinc/33/62/01/892336201.db2.gz CKUJWMXJDBLGGU-UHFFFAOYSA-N 0 0 420.834 4.047 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3cc4ccccc4s3)CC2)ccc1[N+](=O)[O-] ZINC000477385326 892343860 /nfs/dbraw/zinc/34/38/60/892343860.db2.gz TUURLJYSIJKQNK-UHFFFAOYSA-N 0 0 411.483 4.171 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000477385810 892344375 /nfs/dbraw/zinc/34/43/75/892344375.db2.gz USNUYWVAYRILGS-UHFFFAOYSA-N 0 0 408.845 4.363 20 5 HIBDRN COc1ccc([C@@H]2CCN(C(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)C2)cc1 ZINC000504920182 913656687 /nfs/dbraw/zinc/65/66/87/913656687.db2.gz SLVRVLQNSBQVKW-YLJYHZDGSA-N 0 0 423.513 4.469 20 5 HIBDRN COc1ccccc1COC1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000477433946 892385130 /nfs/dbraw/zinc/38/51/30/892385130.db2.gz RDIAKDZSFNTERP-UHFFFAOYSA-N 0 0 418.877 4.387 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCCc2ccc(F)cc21 ZINC000477476772 892459756 /nfs/dbraw/zinc/45/97/56/892459756.db2.gz GEMHGTQYJIVTFM-QGZVFWFLSA-N 0 0 407.239 4.233 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCCc2ccc(F)cc21 ZINC000477499161 892504512 /nfs/dbraw/zinc/50/45/12/892504512.db2.gz ADYJWKOROHYKMO-OAQYLSRUSA-N 0 0 400.453 4.488 20 5 HIBDRN Cc1ccc(-c2cccnc2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000477526986 892552033 /nfs/dbraw/zinc/55/20/33/892552033.db2.gz PLAOHSQHFQRTMN-UHFFFAOYSA-N 0 0 418.453 4.054 20 5 HIBDRN CC[C@@H](C)n1ncc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC000477565743 892621527 /nfs/dbraw/zinc/62/15/27/892621527.db2.gz SMZDHUDZPQSORP-CYBMUJFWSA-N 0 0 408.462 4.293 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000477614465 892710491 /nfs/dbraw/zinc/71/04/91/892710491.db2.gz ZDWGXLGTCBAZNP-UHFFFAOYSA-N 0 0 404.850 4.035 20 5 HIBDRN CCOc1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000504952704 913691310 /nfs/dbraw/zinc/69/13/10/913691310.db2.gz AZBWKJWYDFJDQQ-UHFFFAOYSA-N 0 0 416.449 4.236 20 5 HIBDRN CCOC[C@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000477615770 892713960 /nfs/dbraw/zinc/71/39/60/892713960.db2.gz ZOXHXWJVUUPZCX-ZDUSSCGKSA-N 0 0 407.517 4.010 20 5 HIBDRN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(Br)cn1 ZINC000477783370 892864599 /nfs/dbraw/zinc/86/45/99/892864599.db2.gz WTOCGUYNXVPUDW-VIFPVBQESA-N 0 0 406.261 4.458 20 5 HIBDRN COCc1cc([N+](=O)[O-])ccc1NCc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000477804563 892877366 /nfs/dbraw/zinc/87/73/66/892877366.db2.gz USIOOMMUNGDFHK-UHFFFAOYSA-N 0 0 413.455 4.263 20 5 HIBDRN COC(=O)c1csc(-c2cccc(CNc3cc(OC)c([N+](=O)[O-])cc3F)c2)n1 ZINC000477807192 892879130 /nfs/dbraw/zinc/87/91/30/892879130.db2.gz UKBXTURTNSWQJH-UHFFFAOYSA-N 0 0 417.418 4.265 20 5 HIBDRN Cc1ccncc1CN(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000477935651 893024124 /nfs/dbraw/zinc/02/41/24/893024124.db2.gz WVDQXXOJKGANMW-INIZCTEOSA-N 0 0 405.458 4.139 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000477985394 893084642 /nfs/dbraw/zinc/08/46/42/893084642.db2.gz FSDBNJFAMZXXAD-DGCLKSJQSA-N 0 0 422.304 4.279 20 5 HIBDRN Cc1nnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1-c1cc(C)ccc1C ZINC000504986144 913731246 /nfs/dbraw/zinc/73/12/46/913731246.db2.gz KYHUUXKKWMUSDE-UHFFFAOYSA-N 0 0 422.470 4.443 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000477990121 893090654 /nfs/dbraw/zinc/09/06/54/893090654.db2.gz PVMACEDONZQLLO-JTHBVZDNSA-N 0 0 420.472 4.153 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000478011338 893122763 /nfs/dbraw/zinc/12/27/63/893122763.db2.gz XZDUPFLUGSSTRC-GOEBONIOSA-N 0 0 416.359 4.085 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCc1nc2cc(Cl)ccc2s1 ZINC000478073041 893235784 /nfs/dbraw/zinc/23/57/84/893235784.db2.gz RSAGQNSSIFYPHZ-UHFFFAOYSA-N 0 0 418.906 4.409 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)s1 ZINC000478079618 893243441 /nfs/dbraw/zinc/24/34/41/893243441.db2.gz SQIIPDHPRRPLLA-UHFFFAOYSA-N 0 0 413.503 4.009 20 5 HIBDRN Cc1c(C(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000478096203 893261336 /nfs/dbraw/zinc/26/13/36/893261336.db2.gz LUFFRKJMXUBGJQ-NRFANRHFSA-N 0 0 400.438 4.309 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1c(C)cc(Br)c2ccccc21 ZINC000478103702 893269732 /nfs/dbraw/zinc/26/97/32/893269732.db2.gz ULGJDLUOXBGWCO-UHFFFAOYSA-N 0 0 417.263 4.353 20 5 HIBDRN CCCC[C@](C)(NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000478134921 893306267 /nfs/dbraw/zinc/30/62/67/893306267.db2.gz NBIYXGFXVMULQP-SFHVURJKSA-N 0 0 423.311 4.409 20 5 HIBDRN Cc1nn(C)cc1CNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000478204062 893365866 /nfs/dbraw/zinc/36/58/66/893365866.db2.gz HGRPDWRZFQAEBR-UHFFFAOYSA-N 0 0 416.890 4.371 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000478218707 893378759 /nfs/dbraw/zinc/37/87/59/893378759.db2.gz RPCOFNXQORGDRV-CQSZACIVSA-N 0 0 419.503 4.290 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478233825 893395799 /nfs/dbraw/zinc/39/57/99/893395799.db2.gz OHTQZRHCFUJXDO-UHFFFAOYSA-N 0 0 410.861 4.454 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000478240774 893403574 /nfs/dbraw/zinc/40/35/74/893403574.db2.gz XEKSDGQHYKLFIC-UHFFFAOYSA-N 0 0 401.271 4.255 20 5 HIBDRN COc1cc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)cc([N+](=O)[O-])c1OC ZINC000478239609 893405049 /nfs/dbraw/zinc/40/50/49/893405049.db2.gz ZZOQNZUDQXCNOM-UHFFFAOYSA-N 0 0 404.850 4.285 20 5 HIBDRN Cc1nn(C)cc1CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000478244084 893410987 /nfs/dbraw/zinc/41/09/87/893410987.db2.gz MISHFFUXCPMUDJ-UHFFFAOYSA-N 0 0 416.890 4.371 20 5 HIBDRN COC(=O)c1cnc(Nc2ccc(Oc3ccccc3OC)c(F)c2)c([N+](=O)[O-])c1 ZINC000478286092 893494109 /nfs/dbraw/zinc/49/41/09/893494109.db2.gz VFUWBEIDUIOERQ-UHFFFAOYSA-N 0 0 413.361 4.460 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000478293077 893504529 /nfs/dbraw/zinc/50/45/29/893504529.db2.gz YSCZUPCWINXMSQ-UHFFFAOYSA-N 0 0 401.271 4.255 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)n2)c1 ZINC000505035081 913777602 /nfs/dbraw/zinc/77/76/02/913777602.db2.gz IEWQSDBYAYSQEV-UHFFFAOYSA-N 0 0 422.422 4.113 20 5 HIBDRN Cc1c(Br)cccc1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000478330210 893562831 /nfs/dbraw/zinc/56/28/31/893562831.db2.gz MTXPJVGTHNYLAY-UHFFFAOYSA-N 0 0 403.276 4.399 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)CCCOCc3ccccc3)co2)cc1 ZINC000478377795 893647012 /nfs/dbraw/zinc/64/70/12/893647012.db2.gz FXKUHKGWKDXLGP-NDEPHWFRSA-N 0 0 400.456 4.105 20 5 HIBDRN O=[N+]([O-])c1cc(CNCc2ccnc3ccnn32)ccc1Oc1ccccc1Cl ZINC000478380794 893651845 /nfs/dbraw/zinc/65/18/45/893651845.db2.gz DHBBMWMPEFVCRS-UHFFFAOYSA-N 0 0 409.833 4.373 20 5 HIBDRN CC(C)N(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000505074100 913805321 /nfs/dbraw/zinc/80/53/21/913805321.db2.gz PUVMATYDSOUVOK-UHFFFAOYSA-N 0 0 424.284 4.463 20 5 HIBDRN Cc1sc(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000478497051 893813312 /nfs/dbraw/zinc/81/33/12/893813312.db2.gz YSEMTUPMPITPLW-LLVKDONJSA-N 0 0 408.785 4.100 20 5 HIBDRN CC(C)N(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c(Cl)c1 ZINC000505078915 913807012 /nfs/dbraw/zinc/80/70/12/913807012.db2.gz WCSAMZWBEQUZKK-UHFFFAOYSA-N 0 0 424.240 4.251 20 5 HIBDRN O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000478579000 893857997 /nfs/dbraw/zinc/85/79/97/893857997.db2.gz IGYUQQSPDURVIH-UHFFFAOYSA-N 0 0 405.838 4.370 20 5 HIBDRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000478613672 893876496 /nfs/dbraw/zinc/87/64/96/893876496.db2.gz 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/nfs/dbraw/zinc/07/29/38/894072938.db2.gz FOXORWOIJJHWQO-UHFFFAOYSA-N 0 0 415.247 4.250 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnn(C[C@H](O)COc3cc(Cl)ccc3Cl)c2)c1 ZINC000478800794 894074672 /nfs/dbraw/zinc/07/46/72/894074672.db2.gz WFQKARLCTKRBIQ-INIZCTEOSA-N 0 0 408.241 4.205 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])on1 ZINC000478799544 894075556 /nfs/dbraw/zinc/07/55/56/894075556.db2.gz OLJUWSHQJOOAEY-UHFFFAOYSA-N 0 0 421.384 4.481 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000505148247 913842631 /nfs/dbraw/zinc/84/26/31/913842631.db2.gz GROSEMGCDZEZFE-SCLBCKFNSA-N 0 0 406.891 4.329 20 5 HIBDRN Cc1cc(OCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)c(F)cc1[N+](=O)[O-] ZINC000478893784 894174865 /nfs/dbraw/zinc/17/48/65/894174865.db2.gz BUYCHQZLFIBEDP-LLVKDONJSA-N 0 0 416.327 4.197 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)cc2[N+](=O)[O-])C1 ZINC000478981038 894257340 /nfs/dbraw/zinc/25/73/40/894257340.db2.gz 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NELVRIWPPHQSKX-ZDUSSCGKSA-N 0 0 403.435 4.284 20 5 HIBDRN O=C(CSc1nc2cc(F)cc(Cl)c2o1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000479489663 894810994 /nfs/dbraw/zinc/81/09/94/894810994.db2.gz QXSOLZXXCLYZJN-UHFFFAOYSA-N 0 0 407.810 4.210 20 5 HIBDRN CC(C)COC[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000505252767 913906477 /nfs/dbraw/zinc/90/64/77/913906477.db2.gz CDENZCBHVFQZAP-INIZCTEOSA-N 0 0 415.471 4.455 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000479575236 894867786 /nfs/dbraw/zinc/86/77/86/894867786.db2.gz GCOVCDGZXZLUMH-UHFFFAOYSA-N 0 0 400.353 4.434 20 5 HIBDRN Cc1cc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c2cnn(C)c2n1 ZINC000479598724 894878827 /nfs/dbraw/zinc/87/88/27/894878827.db2.gz DDZLREWGMPGODW-UHFFFAOYSA-N 0 0 403.398 4.230 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc([N+](=O)[O-])c1C ZINC000479622670 894890646 /nfs/dbraw/zinc/89/06/46/894890646.db2.gz VEDDUNXPGNTDDN-OAHLLOKOSA-N 0 0 420.849 4.375 20 5 HIBDRN 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/nfs/dbraw/zinc/13/89/08/895138908.db2.gz HOIRRGLVCIQAOV-OAHLLOKOSA-N 0 0 406.442 4.413 20 5 HIBDRN CC(C)c1nc(C2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)no1 ZINC000505281370 913940544 /nfs/dbraw/zinc/94/05/44/913940544.db2.gz NNORPBJZWKNZTD-ZDUSSCGKSA-N 0 0 412.450 4.092 20 5 HIBDRN O=C(NCc1nc2cc(F)ccc2[nH]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000479940355 895291189 /nfs/dbraw/zinc/29/11/89/895291189.db2.gz JZPQEXMHWYYYTQ-UHFFFAOYSA-N 0 0 419.416 4.152 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000479978475 895332749 /nfs/dbraw/zinc/33/27/49/895332749.db2.gz GSQCQHSYYFDPOE-AWEZNQCLSA-N 0 0 403.241 4.143 20 5 HIBDRN COc1ccc(C=Cc2nc(=O)c3cc(Br)sc3[nH]2)cc1[N+](=O)[O-] ZINC000480042066 895390539 /nfs/dbraw/zinc/39/05/39/895390539.db2.gz XPBHTIPSAPAUOP-HYXAFXHYSA-N 0 0 408.233 4.247 20 5 HIBDRN Cc1c(CNC(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000480059895 895407142 /nfs/dbraw/zinc/40/71/42/895407142.db2.gz NLMMJFHIDWVFCH-SFHVURJKSA-N 0 0 423.391 4.205 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(C(C)(C)C)c2O)c([N+](=O)[O-])cc1OC(F)F ZINC000480058995 895407259 /nfs/dbraw/zinc/40/72/59/895407259.db2.gz HXYDLQFNHZLCOW-UHFFFAOYSA-N 0 0 410.373 4.460 20 5 HIBDRN Cc1c(CNC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000480062199 895409474 /nfs/dbraw/zinc/40/94/74/895409474.db2.gz ZQFOZHAQXKVICX-GOSISDBHSA-N 0 0 424.284 4.493 20 5 HIBDRN Cc1coc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc12 ZINC000480068377 895418115 /nfs/dbraw/zinc/41/81/15/895418115.db2.gz CQGNKVWGIWZELG-LJQANCHMSA-N 0 0 407.426 4.201 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000480073152 895424710 /nfs/dbraw/zinc/42/47/10/895424710.db2.gz VPKXGDUVGOCTMI-HXUWFJFHSA-N 0 0 407.474 4.320 20 5 HIBDRN C[C@@H]1[C@@H](C)CCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000480169268 895561049 /nfs/dbraw/zinc/56/10/49/895561049.db2.gz LBFRPZFTSKMNNO-DLBZAZTESA-N 0 0 404.470 4.247 20 5 HIBDRN COc1ccc(NC(=O)N[C@H](C)c2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000480298746 895703597 /nfs/dbraw/zinc/70/35/97/895703597.db2.gz HUCPAIBZWKLMOQ-SECBINFHSA-N 0 0 412.215 4.388 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc([N+](=O)[O-])c1C ZINC000480327185 895728831 /nfs/dbraw/zinc/72/88/31/895728831.db2.gz MRAINSMWAMIFAN-ZDUSSCGKSA-N 0 0 420.849 4.233 20 5 HIBDRN COc1cccc(C(NC(=O)Cc2ccccc2[N+](=O)[O-])c2cccc(OC)c2)c1 ZINC000480376116 895783887 /nfs/dbraw/zinc/78/38/87/895783887.db2.gz IFANHWXDTWASEJ-UHFFFAOYSA-N 0 0 406.438 4.060 20 5 HIBDRN C[C@@H]([C@H](C)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000480390360 895796999 /nfs/dbraw/zinc/79/69/99/895796999.db2.gz VLFOLVQFQBMKHJ-GJZGRUSLSA-N 0 0 403.479 4.004 20 5 HIBDRN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480432513 895825138 /nfs/dbraw/zinc/82/51/38/895825138.db2.gz AJHMJBSURNTOBU-MAUKXSAKSA-N 0 0 421.236 4.378 20 5 HIBDRN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480440122 895830324 /nfs/dbraw/zinc/83/03/24/895830324.db2.gz STZAEZFAESLQJH-ZWKOTPCHSA-N 0 0 420.252 4.113 20 5 HIBDRN CC(C)(C)OC(=O)CCc1cccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1 ZINC000480554664 895914949 /nfs/dbraw/zinc/91/49/49/895914949.db2.gz OECJLWPYPQKJTF-UHFFFAOYSA-N 0 0 420.487 4.016 20 5 HIBDRN Cc1c(Br)cccc1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480574193 895933453 /nfs/dbraw/zinc/93/34/53/895933453.db2.gz CDJCGTBNNSQTKR-UHFFFAOYSA-N 0 0 403.276 4.399 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000480701702 896063593 /nfs/dbraw/zinc/06/35/93/896063593.db2.gz GPQSRAXGQVVMEW-UHFFFAOYSA-N 0 0 414.405 4.053 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000480705923 896069295 /nfs/dbraw/zinc/06/92/95/896069295.db2.gz RRBOCIRZUDLFFO-LBPRGKRZSA-N 0 0 420.487 4.224 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H](CO)Cc1ccccc1 ZINC000480750593 896113676 /nfs/dbraw/zinc/11/36/76/896113676.db2.gz OKDSGPZAWDMVIG-GOSISDBHSA-N 0 0 407.426 4.112 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cncc(Cl)c3Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000480803897 896172083 /nfs/dbraw/zinc/17/20/83/896172083.db2.gz KLNJTJSXSWQIBN-UHFFFAOYSA-N 0 0 420.256 4.411 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cncc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000480808815 896176420 /nfs/dbraw/zinc/17/64/20/896176420.db2.gz YWSRQBQMOLVLGA-UHFFFAOYSA-N 0 0 402.259 4.177 20 5 HIBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(Br)cn1 ZINC000480823543 896197405 /nfs/dbraw/zinc/19/74/05/896197405.db2.gz MLQGALUBPQFHCJ-ZETCQYMHSA-N 0 0 402.046 4.083 20 5 HIBDRN CCOc1cc(N2CCN(c3ncnc4c5ccccc5oc43)CC2)ccc1[N+](=O)[O-] ZINC000480848312 896219823 /nfs/dbraw/zinc/21/98/23/896219823.db2.gz SJNRJOUTKKKBQD-UHFFFAOYSA-N 0 0 419.441 4.010 20 5 HIBDRN Cc1ccc(CN(CCO)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])o1 ZINC000481046964 896372351 /nfs/dbraw/zinc/37/23/51/896372351.db2.gz YYZWRDFJGBGYTA-UHFFFAOYSA-N 0 0 409.442 4.056 20 5 HIBDRN CC1(c2cccc(Cl)c2)CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000481057458 896379697 /nfs/dbraw/zinc/37/96/97/896379697.db2.gz VMBCBRAQMNZDGJ-UHFFFAOYSA-N 0 0 408.907 4.210 20 5 HIBDRN Cc1cnc(N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000481062931 896384459 /nfs/dbraw/zinc/38/44/59/896384459.db2.gz VWDJSYMKRHPLES-LBPRGKRZSA-N 0 0 420.185 4.225 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC[C@H](C2CC2)C1 ZINC000481076602 896395263 /nfs/dbraw/zinc/39/52/63/896395263.db2.gz FPFUZIQJMZHOLF-IBGZPJMESA-N 0 0 416.481 4.249 20 5 HIBDRN CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000481155491 896488532 /nfs/dbraw/zinc/48/85/32/896488532.db2.gz POKTWAJFZQIRJS-MRXNPFEDSA-N 0 0 414.355 4.482 20 5 HIBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCOc2cc(Br)c(Cl)cc21 ZINC000481209852 896563486 /nfs/dbraw/zinc/56/34/86/896563486.db2.gz QOPWZEUECOBRPD-UHFFFAOYSA-N 0 0 403.641 4.111 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000481357544 896734496 /nfs/dbraw/zinc/73/44/96/896734496.db2.gz FMISKWAEYKXTFD-IBGZPJMESA-N 0 0 424.501 4.039 20 5 HIBDRN CCn1c(SCc2noc(-c3ccsc3)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481363975 896747752 /nfs/dbraw/zinc/74/77/52/896747752.db2.gz NCYNDHBVUGWMHG-UHFFFAOYSA-N 0 0 414.472 4.277 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000481431669 896831969 /nfs/dbraw/zinc/83/19/69/896831969.db2.gz DZHUFEAJNSTALG-IBGZPJMESA-N 0 0 414.487 4.051 20 5 HIBDRN Cc1c(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cccc1[N+](=O)[O-] ZINC000481472972 896860557 /nfs/dbraw/zinc/86/05/57/896860557.db2.gz FTBKWXIUTQVIDW-UHFFFAOYSA-N 0 0 401.369 4.085 20 5 HIBDRN Cc1c(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000481474353 896862133 /nfs/dbraw/zinc/86/21/33/896862133.db2.gz JHIWERZOBNZJSH-UHFFFAOYSA-N 0 0 404.426 4.477 20 5 HIBDRN CC(C)Cn1cc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(C(F)F)n1 ZINC000481528130 896890814 /nfs/dbraw/zinc/89/08/14/896890814.db2.gz MGPDDSXAXOXDJE-UHFFFAOYSA-N 0 0 415.828 4.403 20 5 HIBDRN COc1ccccc1-c1csc(C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)n1 ZINC000481560600 896935307 /nfs/dbraw/zinc/93/53/07/896935307.db2.gz INSMQZXGLWTTMN-UHFFFAOYSA-N 0 0 413.455 4.340 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)c(F)c1 ZINC000481618088 897001603 /nfs/dbraw/zinc/00/16/03/897001603.db2.gz BAIJUUGXTBTDTC-KRWDZBQOSA-N 0 0 413.218 4.209 20 5 HIBDRN CN(C)c1nc2cc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2o1 ZINC000481669101 897053087 /nfs/dbraw/zinc/05/30/87/897053087.db2.gz MREKKXVCKYNEJW-UHFFFAOYSA-N 0 0 409.427 4.178 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(F)cc2Br)c1 ZINC000481692074 897077142 /nfs/dbraw/zinc/07/71/42/897077142.db2.gz DOGXLKXIFMVXIH-UHFFFAOYSA-N 0 0 413.268 4.491 20 5 HIBDRN CCOC(=O)c1ccc(F)c(C)c1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000505456684 914126283 /nfs/dbraw/zinc/12/62/83/914126283.db2.gz CVQPQNDCGCKTHO-GFCCVEGCSA-N 0 0 406.435 4.338 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)S1=O ZINC000481732891 897127345 /nfs/dbraw/zinc/12/73/45/897127345.db2.gz FAKKOLPVRAKZPX-CHWSQXEVSA-N 0 0 422.890 4.022 20 5 HIBDRN Cc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)no1 ZINC000481770482 897155495 /nfs/dbraw/zinc/15/54/95/897155495.db2.gz NWIREURYGAUFMP-UHFFFAOYSA-N 0 0 414.849 4.429 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2sc(-c3ccccc3C)nc2C)cc([N+](=O)[O-])c1 ZINC000481778005 897160659 /nfs/dbraw/zinc/16/06/59/897160659.db2.gz KHLYOSVEECSOLN-UHFFFAOYSA-N 0 0 411.439 4.374 20 5 HIBDRN Cn1c(COc2ccccc2)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000481812037 897186103 /nfs/dbraw/zinc/18/61/03/897186103.db2.gz HFJHSLZKQJJUHW-UHFFFAOYSA-N 0 0 410.377 4.472 20 5 HIBDRN CCC(=O)c1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])c(F)c1 ZINC000481814793 897187711 /nfs/dbraw/zinc/18/77/11/897187711.db2.gz LYFYMWWQDIFLCH-UHFFFAOYSA-N 0 0 424.450 4.149 20 5 HIBDRN Cc1cnc(Sc2nnc(COc3ccccc3)n2Cc2ccco2)c([N+](=O)[O-])c1 ZINC000481842386 897209185 /nfs/dbraw/zinc/20/91/85/897209185.db2.gz ZBUGGSYPSWEGFP-UHFFFAOYSA-N 0 0 423.454 4.261 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000481900045 897280388 /nfs/dbraw/zinc/28/03/88/897280388.db2.gz KOXBXNOMSPWQIU-UHFFFAOYSA-N 0 0 416.377 4.484 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1SC ZINC000481954566 897344323 /nfs/dbraw/zinc/34/43/23/897344323.db2.gz XJZJOOJFSMVKSM-ZDUSSCGKSA-N 0 0 422.528 4.208 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000481960275 897348320 /nfs/dbraw/zinc/34/83/20/897348320.db2.gz MFXFVDJQEZBMAY-UHFFFAOYSA-N 0 0 419.363 4.164 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000481960852 897350017 /nfs/dbraw/zinc/35/00/17/897350017.db2.gz UOAOURQRGPXRID-UHFFFAOYSA-N 0 0 419.363 4.164 20 5 HIBDRN CSc1ccc(C(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)cc1[N+](=O)[O-] ZINC000505474522 914151475 /nfs/dbraw/zinc/15/14/75/914151475.db2.gz QNSXMWKZJUEILV-ZDUSSCGKSA-N 0 0 421.469 4.114 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccc(Br)cc3)CC2)n1 ZINC000481968837 897359254 /nfs/dbraw/zinc/35/92/54/897359254.db2.gz VVMMHNFHTMUULF-UHFFFAOYSA-N 0 0 405.296 4.137 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000481978884 897372327 /nfs/dbraw/zinc/37/23/27/897372327.db2.gz FPTBEZLWEORHNX-MRXNPFEDSA-N 0 0 417.512 4.347 20 5 HIBDRN O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000481991908 897387715 /nfs/dbraw/zinc/38/77/15/897387715.db2.gz MOKBUDXOJJHXOL-OAQYLSRUSA-N 0 0 415.405 4.451 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000481994042 897389822 /nfs/dbraw/zinc/38/98/22/897389822.db2.gz SYWJJKMFQPTJPE-SFHVURJKSA-N 0 0 419.466 4.368 20 5 HIBDRN Cn1cc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482034774 897449100 /nfs/dbraw/zinc/44/91/00/897449100.db2.gz RYIFWXLVRLOFPG-OAHLLOKOSA-N 0 0 410.396 4.046 20 5 HIBDRN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000505479448 914160948 /nfs/dbraw/zinc/16/09/48/914160948.db2.gz HDWYOHNPPSECCZ-CYBMUJFWSA-N 0 0 415.396 4.138 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)cc1SC ZINC000482054598 897481489 /nfs/dbraw/zinc/48/14/89/897481489.db2.gz RMQNCCLGCJCCLV-UHFFFAOYSA-N 0 0 409.851 4.189 20 5 HIBDRN CC1(C)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[C@@H]1C(F)(F)F ZINC000482060797 897491361 /nfs/dbraw/zinc/49/13/61/897491361.db2.gz NAQZJCARNTVTEH-KRWDZBQOSA-N 0 0 413.440 4.248 20 5 HIBDRN CCOCCC1(CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000505485088 914167403 /nfs/dbraw/zinc/16/74/03/914167403.db2.gz XQMDMACWAWRDGW-CALCHBBNSA-N 0 0 403.523 4.014 20 5 HIBDRN C[C@@H](O)[C@](C)(CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Cc1ccccc1 ZINC000482121124 897573938 /nfs/dbraw/zinc/57/39/38/897573938.db2.gz CHHXLLULOYDITA-QUGAMOGWSA-N 0 0 414.505 4.041 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000482124602 897581570 /nfs/dbraw/zinc/58/15/70/897581570.db2.gz IDFGPMXCSMDOTI-YCRPNKLZSA-N 0 0 402.516 4.066 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(C4CC4)c4ccc(Cl)cc43)o2)cc1 ZINC000482155948 897619369 /nfs/dbraw/zinc/61/93/69/897619369.db2.gz HBALDDRINBQYRZ-UHFFFAOYSA-N 0 0 411.849 4.287 20 5 HIBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](CC1CCC1)c1ccccc1 ZINC000482166815 897631697 /nfs/dbraw/zinc/63/16/97/897631697.db2.gz GEQXJWFUBUDFDV-QGZVFWFLSA-N 0 0 415.877 4.026 20 5 HIBDRN O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000482243417 897725643 /nfs/dbraw/zinc/72/56/43/897725643.db2.gz LYOWWRWLBBMWIE-NSHDSACASA-N 0 0 413.783 4.276 20 5 HIBDRN CC[C@H](CN(CC)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000482252120 897733173 /nfs/dbraw/zinc/73/31/73/897733173.db2.gz IVMPQYVEYVYCPL-OAHLLOKOSA-N 0 0 417.893 4.020 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(=Cc2ccccc2F)CC1 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COc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)ccc1[N+](=O)[O-] ZINC000484313232 899872611 /nfs/dbraw/zinc/87/26/11/899872611.db2.gz RQBZRUFXQAXQFD-UHFFFAOYSA-N 0 0 423.450 4.032 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000484355951 899904449 /nfs/dbraw/zinc/90/44/49/899904449.db2.gz ZAXRNUSMWZGFSK-UHFFFAOYSA-N 0 0 418.519 4.432 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C2CC2)c2ccc(F)cc21 ZINC000484383656 899919207 /nfs/dbraw/zinc/91/92/07/899919207.db2.gz ILHVYQLWVNELLT-UHFFFAOYSA-N 0 0 409.339 4.382 20 5 HIBDRN CCCCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000484396002 899923657 /nfs/dbraw/zinc/92/36/57/899923657.db2.gz IHCBYWLTBLDCRP-UHFFFAOYSA-N 0 0 421.563 4.111 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc2ccccc2c1 ZINC000484414371 899934440 /nfs/dbraw/zinc/93/44/40/899934440.db2.gz HIWKKFUYSLPVFP-UHFFFAOYSA-N 0 0 410.495 4.459 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(C)s3)ns2)cc1SC ZINC000484424318 899938318 /nfs/dbraw/zinc/93/83/18/899938318.db2.gz KHYJQMSHLXWBGH-UHFFFAOYSA-N 0 0 422.513 4.466 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000484517718 900006858 /nfs/dbraw/zinc/00/68/58/900006858.db2.gz UBTCZFKDRCPBLQ-QWFCFKBJSA-N 0 0 411.458 4.030 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cccc1[N+](=O)[O-] ZINC000484521232 900010585 /nfs/dbraw/zinc/01/05/85/900010585.db2.gz BKHYVAGWEBEILF-UHFFFAOYSA-N 0 0 411.393 4.291 20 5 HIBDRN O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000484530272 900017125 /nfs/dbraw/zinc/01/71/25/900017125.db2.gz RNTNLFRYRVUIKO-UHFFFAOYSA-N 0 0 415.858 4.351 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ncc(-c2ccccc2)cn1 ZINC000484691511 900128210 /nfs/dbraw/zinc/12/82/10/900128210.db2.gz RZZGUHGIEZRCQR-UHFFFAOYSA-N 0 0 400.847 4.436 20 5 HIBDRN CN(C(=O)CSc1nnc(-c2cc3ccccc3o2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000484742117 900165528 /nfs/dbraw/zinc/16/55/28/900165528.db2.gz ZAPPQHYOAAIJIH-UHFFFAOYSA-N 0 0 410.411 4.146 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H]3CCCc4c[nH]nc43)cc2[N+](=O)[O-])n1 ZINC000484744636 900166905 /nfs/dbraw/zinc/16/69/05/900166905.db2.gz ZHFRYTIAHVQRJX-ZDUSSCGKSA-N 0 0 415.500 4.041 20 5 HIBDRN COc1ccccc1C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000484832322 900234142 /nfs/dbraw/zinc/23/41/42/900234142.db2.gz RVPBHXAUMJSTOD-GOSISDBHSA-N 0 0 409.486 4.051 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CSCC(=O)OC)c1 ZINC000485005549 900356633 /nfs/dbraw/zinc/35/66/33/900356633.db2.gz NTAAOXPENCNQLW-UHFFFAOYSA-N 0 0 420.512 4.365 20 5 HIBDRN Cc1c(NC(=O)CCN(C)Cc2ccc(F)cc2Br)cccc1[N+](=O)[O-] ZINC000485018076 900365861 /nfs/dbraw/zinc/36/58/61/900365861.db2.gz CGYWDQZRKNGQJQ-UHFFFAOYSA-N 0 0 424.270 4.265 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000485042853 900380071 /nfs/dbraw/zinc/38/00/71/900380071.db2.gz DINUMNAMRJPONE-QGZVFWFLSA-N 0 0 414.464 4.234 20 5 HIBDRN CN(c1cccc2ccccc21)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000485096729 900408056 /nfs/dbraw/zinc/40/80/56/900408056.db2.gz BMZAJYHUKPZIOJ-UHFFFAOYSA-N 0 0 421.272 4.336 20 5 HIBDRN CCc1c(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cnn1C(CC)CC ZINC000485142677 900442675 /nfs/dbraw/zinc/44/26/75/900442675.db2.gz HBZHCXGCOPBGKW-UHFFFAOYSA-N 0 0 401.467 4.010 20 5 HIBDRN Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000485222514 900508683 /nfs/dbraw/zinc/50/86/83/900508683.db2.gz XVDQPPUHLKWVPU-CABCVRRESA-N 0 0 415.471 4.499 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000485233634 900518580 /nfs/dbraw/zinc/51/85/80/900518580.db2.gz XGKJFGDZGRHDNY-MRXNPFEDSA-N 0 0 424.501 4.454 20 5 HIBDRN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)C(F)(F)F ZINC000485251543 900536928 /nfs/dbraw/zinc/53/69/28/900536928.db2.gz CMZQDKUMDLRYHF-KRWDZBQOSA-N 0 0 404.348 4.156 20 5 HIBDRN O=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000485253939 900539485 /nfs/dbraw/zinc/53/94/85/900539485.db2.gz JVJFCPWTBOAGHY-UHFFFAOYSA-N 0 0 424.848 4.137 20 5 HIBDRN C[C@@H](O)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000485289998 900567932 /nfs/dbraw/zinc/56/79/32/900567932.db2.gz YMOLPGACKVJJIU-CQSZACIVSA-N 0 0 419.909 4.387 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CSc1nnc(COc2cc(C)ccc2C)o1 ZINC000485343603 900635322 /nfs/dbraw/zinc/63/53/22/900635322.db2.gz IDVRURWWTJETAZ-UHFFFAOYSA-N 0 0 401.444 4.475 20 5 HIBDRN C[C@H](COc1ccc(F)cc1F)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485353191 900648344 /nfs/dbraw/zinc/64/83/44/900648344.db2.gz RRVZQEZSWIPFKN-CYBMUJFWSA-N 0 0 405.401 4.015 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000485354708 900650098 /nfs/dbraw/zinc/65/00/98/900650098.db2.gz HZLRPLDZHMQFHF-UHFFFAOYSA-N 0 0 402.501 4.474 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000485380818 900677083 /nfs/dbraw/zinc/67/70/83/900677083.db2.gz HVPZXGMZYFOLEI-KBPBESRZSA-N 0 0 401.444 4.190 20 5 HIBDRN COc1ccc(CNc2nnc(SCc3ccc([N+](=O)[O-])cc3OC)s2)cc1 ZINC000485379572 900677213 /nfs/dbraw/zinc/67/72/13/900677213.db2.gz SVWSUXCLQTVSOE-UHFFFAOYSA-N 0 0 418.500 4.368 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000485381334 900678559 /nfs/dbraw/zinc/67/85/59/900678559.db2.gz HVPZXGMZYFOLEI-UONOGXRCSA-N 0 0 401.444 4.190 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(OC[C@H]3CCCCO3)CC2)nc1-c1ccc(F)cc1 ZINC000485390814 900687449 /nfs/dbraw/zinc/68/74/49/900687449.db2.gz NNMYVRSNEAGBHR-LJQANCHMSA-N 0 0 415.465 4.350 20 5 HIBDRN Cc1c(NS(=O)(=O)C[C@H](C)c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000485393945 900690730 /nfs/dbraw/zinc/69/07/30/900690730.db2.gz DTCYQTJQYNYUJT-NSHDSACASA-N 0 0 413.293 4.211 20 5 HIBDRN C[C@H](c1nccs1)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485399339 900696142 /nfs/dbraw/zinc/69/61/42/900696142.db2.gz BOPNMNFZEREBRP-CQSZACIVSA-N 0 0 413.478 4.136 20 5 HIBDRN CC(C)(C)C(=O)NC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485403268 900702131 /nfs/dbraw/zinc/70/21/31/900702131.db2.gz WUYDMOCDRZXVRR-OAHLLOKOSA-N 0 0 414.481 4.175 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000485436546 900734028 /nfs/dbraw/zinc/73/40/28/900734028.db2.gz WXPYBHIKYUBFKN-LBPRGKRZSA-N 0 0 409.364 4.080 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCc1cccc(Br)c1 ZINC000485449176 900744915 /nfs/dbraw/zinc/74/49/15/900744915.db2.gz HLFGLBZZQXJWKE-UHFFFAOYSA-N 0 0 407.264 4.071 20 5 HIBDRN C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000485458968 900753457 /nfs/dbraw/zinc/75/34/57/900753457.db2.gz TYBABCRQOPOJMW-SECBINFHSA-N 0 0 404.224 4.116 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc3ccccc3n2CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000485490697 900781580 /nfs/dbraw/zinc/78/15/80/900781580.db2.gz OHBPSYOGKQEEOD-UHFFFAOYSA-N 0 0 421.331 4.151 20 5 HIBDRN CSc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000485498268 900788457 /nfs/dbraw/zinc/78/84/57/900788457.db2.gz ZFJAADCIWWKIGF-HNNXBMFYSA-N 0 0 423.498 4.122 20 5 HIBDRN CSc1cccc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000485501633 900790789 /nfs/dbraw/zinc/79/07/89/900790789.db2.gz WUKNBWAPKAJCAP-HNNXBMFYSA-N 0 0 410.854 4.323 20 5 HIBDRN O=C(NCCc1csc(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485517682 900801229 /nfs/dbraw/zinc/80/12/29/900801229.db2.gz KBDQFYNEALVWQM-UHFFFAOYSA-N 0 0 419.409 4.292 20 5 HIBDRN CCOc1cc(C(=O)N2CCC(c3c(F)cccc3F)CC2)c([N+](=O)[O-])cc1OC ZINC000485574577 900842715 /nfs/dbraw/zinc/84/27/15/900842715.db2.gz IKJWQUMQMKTJPY-UHFFFAOYSA-N 0 0 420.412 4.300 20 5 HIBDRN O=[N+]([O-])c1ccc(OCCCSCc2nc(Cc3cccc(F)c3)no2)cc1 ZINC000485582633 900847527 /nfs/dbraw/zinc/84/75/27/900847527.db2.gz UMOBGDCFKCSJJU-UHFFFAOYSA-N 0 0 403.435 4.410 20 5 HIBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1Br ZINC000485599486 900859606 /nfs/dbraw/zinc/85/96/06/900859606.db2.gz NDGGSVOKALRNQF-UHFFFAOYSA-N 0 0 417.162 4.220 20 5 HIBDRN C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc2ncsc2c1 ZINC000485677350 900928277 /nfs/dbraw/zinc/92/82/77/900928277.db2.gz XMQOAKWCTOEFIL-LBPRGKRZSA-N 0 0 407.455 4.096 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc2ncsc2c1 ZINC000485677590 900929662 /nfs/dbraw/zinc/92/96/62/900929662.db2.gz GANPPNNNYUGSNE-SECBINFHSA-N 0 0 406.261 4.458 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCC(C)(C)c3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000485680274 900930929 /nfs/dbraw/zinc/93/09/29/900930929.db2.gz UKVDHZOBXPBKCU-UHFFFAOYSA-N 0 0 424.476 4.303 20 5 HIBDRN CC(=O)N(C)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000485682631 900934244 /nfs/dbraw/zinc/93/42/44/900934244.db2.gz KVGNLZRPJJGJPC-UHFFFAOYSA-N 0 0 419.437 4.409 20 5 HIBDRN Cc1cn2c(n1)[C@@H](CNC(=O)c1ccc(Nc3ccccc3)c([N+](=O)[O-])c1)CCC2 ZINC000505839192 914491116 /nfs/dbraw/zinc/49/11/16/914491116.db2.gz NIHFCCLHGJJTOU-QGZVFWFLSA-N 0 0 405.458 4.151 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCO[C@H](C3CC3)C2)cc1 ZINC000485720519 900970457 /nfs/dbraw/zinc/97/04/57/900970457.db2.gz OEYAPOAQDQAADR-QFIPXVFZSA-N 0 0 404.470 4.058 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485742313 900997084 /nfs/dbraw/zinc/99/70/84/900997084.db2.gz GWKFSCFCZPRKRK-UHFFFAOYSA-N 0 0 411.380 4.083 20 5 HIBDRN COc1ccc(F)cc1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485750473 901005694 /nfs/dbraw/zinc/00/56/94/901005694.db2.gz IQKUYWXXMDJFTO-UHFFFAOYSA-N 0 0 410.401 4.252 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000485750633 901007067 /nfs/dbraw/zinc/00/70/67/901007067.db2.gz HJSGWGHRYBIZPD-UHFFFAOYSA-N 0 0 400.378 4.188 20 5 HIBDRN CSc1cccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1[N+](=O)[O-] ZINC000485758403 901015773 /nfs/dbraw/zinc/01/57/73/901015773.db2.gz QBCBFMAZRRFEDW-UHFFFAOYSA-N 0 0 410.499 4.108 20 5 HIBDRN CSc1cccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000485760763 901017780 /nfs/dbraw/zinc/01/77/80/901017780.db2.gz ATXVTSQXASHOCQ-UHFFFAOYSA-N 0 0 400.378 4.144 20 5 HIBDRN CCNC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 ZINC000485767969 901024916 /nfs/dbraw/zinc/02/49/16/901024916.db2.gz RBNBDOQCXXEDCL-UHFFFAOYSA-N 0 0 419.437 4.176 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1c(F)cccc1F)C1CC1 ZINC000485780312 901034648 /nfs/dbraw/zinc/03/46/48/901034648.db2.gz YWEBYMBHMOVKIL-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](c1ccccc1)C(F)(F)F ZINC000485787205 901041227 /nfs/dbraw/zinc/04/12/27/901041227.db2.gz QHFWCLKBBIUUMY-CQSZACIVSA-N 0 0 416.783 4.479 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1[N+](=O)[O-] ZINC000505853840 914501626 /nfs/dbraw/zinc/50/16/26/914501626.db2.gz VNBHPEHTXKRNEH-UHFFFAOYSA-N 0 0 411.483 4.298 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1C ZINC000485837312 901083219 /nfs/dbraw/zinc/08/32/19/901083219.db2.gz ZIYKLBVAIQEAQD-UHFFFAOYSA-N 0 0 414.805 4.032 20 5 HIBDRN Cc1ccc([C@H](C)NCc2nc3ccc(Br)cc3n2C)cc1[N+](=O)[O-] ZINC000485846865 901090938 /nfs/dbraw/zinc/09/09/38/901090938.db2.gz TVYWMCOLZMVTAH-LBPRGKRZSA-N 0 0 403.280 4.403 20 5 HIBDRN CCCN1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc21 ZINC000485855443 901098729 /nfs/dbraw/zinc/09/87/29/901098729.db2.gz BFRFBTDKWILTLP-UHFFFAOYSA-N 0 0 423.448 4.011 20 5 HIBDRN CO[C@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000485881000 901116666 /nfs/dbraw/zinc/11/66/66/901116666.db2.gz KBMYXSKJAUGTLM-LLVKDONJSA-N 0 0 419.684 4.190 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)c1cc(OCc3ccccc3)ccc1[N+](=O)[O-])CCO2 ZINC000485910252 901137111 /nfs/dbraw/zinc/13/71/11/901137111.db2.gz ZDZSDHFBBPQBNQ-UHFFFAOYSA-N 0 0 420.421 4.222 20 5 HIBDRN C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000485924381 901150686 /nfs/dbraw/zinc/15/06/86/901150686.db2.gz SYHZBGZNCICKAJ-CQSZACIVSA-N 0 0 424.457 4.345 20 5 HIBDRN C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000485926412 901152434 /nfs/dbraw/zinc/15/24/34/901152434.db2.gz QGIFNLYCZOOUBL-SNVBAGLBSA-N 0 0 421.276 4.096 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1C ZINC000485945967 901166133 /nfs/dbraw/zinc/16/61/33/901166133.db2.gz RHXGFVMFXOTORZ-UHFFFAOYSA-N 0 0 422.485 4.046 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000485975517 901193196 /nfs/dbraw/zinc/19/31/96/901193196.db2.gz HEXCEAWLRKLNIG-FQEVSTJZSA-N 0 0 412.442 4.329 20 5 HIBDRN COC(=O)c1cc(NC(=O)COc2ccccc2-c2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000485975742 901193418 /nfs/dbraw/zinc/19/34/18/901193418.db2.gz QDOQKIFHRXVFMR-UHFFFAOYSA-N 0 0 420.421 4.374 20 5 HIBDRN O=C(NC1CC1)c1ccc(N2CCC(c3c(F)cccc3F)CC2)c([N+](=O)[O-])c1 ZINC000486033883 901237532 /nfs/dbraw/zinc/23/75/32/901237532.db2.gz YRTPUDGUNQBQLD-UHFFFAOYSA-N 0 0 401.413 4.149 20 5 HIBDRN O=C(CCc1ccc(Br)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486046202 901245990 /nfs/dbraw/zinc/24/59/90/901245990.db2.gz 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HIBDRN CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486333864 901510301 /nfs/dbraw/zinc/51/03/01/901510301.db2.gz KDBRSOLOGHOCFY-SECBINFHSA-N 0 0 421.313 4.001 20 5 HIBDRN CNC(=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1C ZINC000486349145 901521384 /nfs/dbraw/zinc/52/13/84/901521384.db2.gz BGUGKHZFUXYEMF-UHFFFAOYSA-N 0 0 419.437 4.094 20 5 HIBDRN COc1ccccc1CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486375577 901542027 /nfs/dbraw/zinc/54/20/27/901542027.db2.gz HSQSZDNXRGUVCJ-UHFFFAOYSA-N 0 0 406.438 4.155 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c1C ZINC000486399623 901562442 /nfs/dbraw/zinc/56/24/42/901562442.db2.gz BJSOFBMKLJBMLY-UHFFFAOYSA-N 0 0 404.488 4.431 20 5 HIBDRN O=C(Nc1cccc2c1OCCO2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486415644 901574806 /nfs/dbraw/zinc/57/48/06/901574806.db2.gz BGICPLVIHYZZGL-UHFFFAOYSA-N 0 0 406.394 4.197 20 5 HIBDRN C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000486425100 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405.126 4.350 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000487741653 902333891 /nfs/dbraw/zinc/33/38/91/902333891.db2.gz JOLNUBIZJURKRT-UHFFFAOYSA-N 0 0 407.426 4.133 20 5 HIBDRN COc1ccc(CNC(=O)N2CCC(c3ccc(F)cc3C)CC2)cc1[N+](=O)[O-] ZINC000487970804 902496341 /nfs/dbraw/zinc/49/63/41/902496341.db2.gz MCAMBALTDCPUKI-UHFFFAOYSA-N 0 0 401.438 4.140 20 5 HIBDRN Cc1sc2ncnc(SCC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2c1C ZINC000487989241 902511998 /nfs/dbraw/zinc/51/19/98/902511998.db2.gz PPWFBEXBMUQSTN-LBPRGKRZSA-N 0 0 416.528 4.494 20 5 HIBDRN C[C@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000488013247 902532956 /nfs/dbraw/zinc/53/29/56/902532956.db2.gz VZESDLCLOSYRNI-UGSOOPFHSA-N 0 0 423.391 4.285 20 5 HIBDRN COc1ccc(Br)cc1CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488044052 902559309 /nfs/dbraw/zinc/55/93/09/902559309.db2.gz OTCKAIMGUBLRTN-GFCCVEGCSA-N 0 0 407.264 4.094 20 5 HIBDRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488065853 902578606 /nfs/dbraw/zinc/57/86/06/902578606.db2.gz ODBKXDVXOYYCOM-JIGPKXGUSA-N 0 0 423.513 4.080 20 5 HIBDRN COc1ccc(CCCN(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000488074818 902583678 /nfs/dbraw/zinc/58/36/78/902583678.db2.gz NLCKFUAGXPPSRN-UHFFFAOYSA-N 0 0 405.882 4.074 20 5 HIBDRN CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000488088142 902592459 /nfs/dbraw/zinc/59/24/59/902592459.db2.gz NBXQFSHNBXWGRQ-ZDUSSCGKSA-N 0 0 423.391 4.470 20 5 HIBDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000488088729 902592754 /nfs/dbraw/zinc/59/27/54/902592754.db2.gz IKAVPGWVGFUDKV-KBPBESRZSA-N 0 0 401.488 4.220 20 5 HIBDRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000488102120 902604633 /nfs/dbraw/zinc/60/46/33/902604633.db2.gz GXGNEQVESDJBGW-RXVVDRJESA-N 0 0 403.523 4.012 20 5 HIBDRN CC[C@@H](C(=O)N1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000488117068 902616758 /nfs/dbraw/zinc/61/67/58/902616758.db2.gz YCOOHGHASNYXAE-LJQANCHMSA-N 0 0 418.497 4.162 20 5 HIBDRN COC[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000488125046 902622123 /nfs/dbraw/zinc/62/21/23/902622123.db2.gz KVLWTETXMQDOBP-JTQLQIEISA-N 0 0 419.684 4.190 20 5 HIBDRN COc1cc(NC2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000488129801 902628590 /nfs/dbraw/zinc/62/85/90/902628590.db2.gz VBHXNPPIWQVFLJ-UHFFFAOYSA-N 0 0 408.458 4.241 20 5 HIBDRN CC(C)(C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc([N+](=O)[O-])cc1 ZINC000505979189 914643621 /nfs/dbraw/zinc/64/36/21/914643621.db2.gz MUBCVKQDQZMASP-UHFFFAOYSA-N 0 0 407.392 4.389 20 5 HIBDRN COc1cc(CNc2cc(Cl)ccc2OC[C@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000488168511 902659462 /nfs/dbraw/zinc/65/94/62/902659462.db2.gz IEVOVMQKCVEGPZ-LBPRGKRZSA-N 0 0 410.829 4.423 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488209559 902690970 /nfs/dbraw/zinc/69/09/70/902690970.db2.gz JDNOHVUCNGDNGX-UHFFFAOYSA-N 0 0 421.501 4.191 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000488250104 902724201 /nfs/dbraw/zinc/72/42/01/902724201.db2.gz MWIYVGZCIUFQEA-UHFFFAOYSA-N 0 0 405.336 4.325 20 5 HIBDRN Cc1ccc(NC(=O)C2(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)CCCC2)cc1C ZINC000488261021 902733273 /nfs/dbraw/zinc/73/32/73/902733273.db2.gz FDZQOBFCQSRACL-UHFFFAOYSA-N 0 0 409.486 4.069 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1nnc(-c2ccco2)s1 ZINC000488334467 902771347 /nfs/dbraw/zinc/77/13/47/902771347.db2.gz NJBJRJRCUZPBPJ-UHFFFAOYSA-N 0 0 413.337 4.047 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000488395228 902804947 /nfs/dbraw/zinc/80/49/47/902804947.db2.gz IWCFAMQDCGETED-CQSZACIVSA-N 0 0 401.463 4.298 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NCC2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000488427351 902822533 /nfs/dbraw/zinc/82/25/33/902822533.db2.gz JHPMLUQUVYXQMI-UHFFFAOYSA-N 0 0 404.369 4.070 20 5 HIBDRN COc1cccc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)c1 ZINC000488429362 902823237 /nfs/dbraw/zinc/82/32/37/902823237.db2.gz FYKSMUOQJGGEKT-UHFFFAOYSA-N 0 0 406.385 4.225 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ncc3c(n2)CCC(C)(C)C3)cc1[N+](=O)[O-] ZINC000488440597 902827737 /nfs/dbraw/zinc/82/77/37/902827737.db2.gz BLNYCLYICNZEEC-UHFFFAOYSA-N 0 0 419.279 4.223 20 5 HIBDRN Cc1cccc(-c2ccc(CNC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)c1 ZINC000488509532 902862746 /nfs/dbraw/zinc/86/27/46/902862746.db2.gz DNXBHNDXFYYOKK-UHFFFAOYSA-N 0 0 419.485 4.313 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000488553921 902880845 /nfs/dbraw/zinc/88/08/45/902880845.db2.gz MNUNRTPERFTMOF-UHFFFAOYSA-N 0 0 407.879 4.348 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc(F)cc1OC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000488707709 902955980 /nfs/dbraw/zinc/95/59/80/902955980.db2.gz JMUCCBSHTNKKTM-CYBMUJFWSA-N 0 0 403.410 4.174 20 5 HIBDRN COc1ccc(Cn2ccnc2SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000488773619 902988946 /nfs/dbraw/zinc/98/89/46/902988946.db2.gz WPYJUGANWSDSSK-UHFFFAOYSA-N 0 0 423.454 4.191 20 5 HIBDRN COc1c(F)cc(F)cc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000488927549 903081484 /nfs/dbraw/zinc/08/14/84/903081484.db2.gz XZDHSRQTLLYIAG-UHFFFAOYSA-N 0 0 405.279 4.222 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000488943109 903091700 /nfs/dbraw/zinc/09/17/00/903091700.db2.gz QIBPERXRIRFXSS-UHFFFAOYSA-N 0 0 420.384 4.352 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OCC(F)F ZINC000489027000 903130563 /nfs/dbraw/zinc/13/05/63/903130563.db2.gz KUUMTDPLEVQXFV-UHFFFAOYSA-N 0 0 402.300 4.401 20 5 HIBDRN C[C@@H](c1ccc(C(C)(C)C)cc1)S(=O)(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489027056 903133303 /nfs/dbraw/zinc/13/33/03/903133303.db2.gz LJUYRXCPECVGFL-HNNXBMFYSA-N 0 0 418.515 4.397 20 5 HIBDRN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000506015492 914690280 /nfs/dbraw/zinc/69/02/80/914690280.db2.gz UPVSRYUJXSLADJ-UHFFFAOYSA-N 0 0 404.348 4.206 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000489049438 903155023 /nfs/dbraw/zinc/15/50/23/903155023.db2.gz VRBPSHJYJJFZSF-GOSISDBHSA-N 0 0 404.510 4.153 20 5 HIBDRN CCc1nc(C)c(CNc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])o1 ZINC000489060982 903163065 /nfs/dbraw/zinc/16/30/65/903163065.db2.gz NQBWAJUWFNJYML-UHFFFAOYSA-N 0 0 423.425 4.083 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CCOC4(CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000489067359 903170439 /nfs/dbraw/zinc/17/04/39/903170439.db2.gz DTCRAVRMNYYBKL-WMZOPIPTSA-N 0 0 401.507 4.053 20 5 HIBDRN CC(C)c1ccc(C(=O)N(CCO)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000489093451 903191838 /nfs/dbraw/zinc/19/18/38/903191838.db2.gz VJRQQMNDBIVRTC-UHFFFAOYSA-N 0 0 421.291 4.115 20 5 HIBDRN CCc1nn(C)c(CC)c1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000489096319 903194445 /nfs/dbraw/zinc/19/44/45/903194445.db2.gz 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O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2ccccn2)n1-c1ccccc1 ZINC000489394398 903362295 /nfs/dbraw/zinc/36/22/95/903362295.db2.gz PHWXHVCWDKVYBE-UHFFFAOYSA-N 0 0 419.466 4.409 20 5 HIBDRN CCn1c(SCC(=O)c2ccc(F)cc2F)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489414037 903372990 /nfs/dbraw/zinc/37/29/90/903372990.db2.gz PKEQMTXHQGZMOH-UHFFFAOYSA-N 0 0 404.398 4.126 20 5 HIBDRN C[C@H](Sc1nnc(-c2cnccn2)n1Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000489413851 903373202 /nfs/dbraw/zinc/37/32/02/903373202.db2.gz YMOBKOHCBSPKCO-ZDUSSCGKSA-N 0 0 408.443 4.138 20 5 HIBDRN C[C@H](CN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO)c1ccccc1 ZINC000489430789 903380662 /nfs/dbraw/zinc/38/06/62/903380662.db2.gz DLUZCULNSMSCDS-IKGGRYGDSA-N 0 0 402.516 4.089 20 5 HIBDRN CCOC(=O)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC)cc1 ZINC000489562975 903466100 /nfs/dbraw/zinc/46/61/00/903466100.db2.gz ALYICJMMCRTOMP-UHFFFAOYSA-N 0 0 402.472 4.455 20 5 HIBDRN CCOc1cccc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1OC(F)F ZINC000489577209 903476039 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ZINC000506258946 914869162 /nfs/dbraw/zinc/86/91/62/914869162.db2.gz MKOJCDXXAQZNNB-AWEZNQCLSA-N 0 0 422.441 4.432 20 5 HIBDRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])nc21 ZINC000493317691 905084966 /nfs/dbraw/zinc/08/49/66/905084966.db2.gz FFJMKJLEYPVRJH-SNVBAGLBSA-N 0 0 421.500 4.009 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)cc1[N+](=O)[O-] ZINC000493518031 905146717 /nfs/dbraw/zinc/14/67/17/905146717.db2.gz BYNQSBDFGVIVCG-UHFFFAOYSA-N 0 0 406.485 4.257 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)c2cccs2)cc1[N+](=O)[O-] ZINC000493684516 905194211 /nfs/dbraw/zinc/19/42/11/905194211.db2.gz QUPAFNGLNMJRAN-KRWDZBQOSA-N 0 0 409.467 4.003 20 5 HIBDRN CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1nc(C(F)(F)F)cs1 ZINC000493899217 905254018 /nfs/dbraw/zinc/25/40/18/905254018.db2.gz CCFWOSLRSBIINS-JTQLQIEISA-N 0 0 423.438 4.117 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000493905641 905260257 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0 0 419.441 4.211 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(-c4cc[nH]n4)c3)cc2[N+](=O)[O-])C1 ZINC000494089452 905424169 /nfs/dbraw/zinc/42/41/69/905424169.db2.gz NHTGNCWHTGOAMX-OAHLLOKOSA-N 0 0 405.458 4.474 20 5 HIBDRN COc1cc(C(=O)N(C)[C@H](C)c2ccco2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000512419879 921148202 /nfs/dbraw/zinc/14/82/02/921148202.db2.gz DSCYCSUGKYJORT-GFCCVEGCSA-N 0 0 417.443 4.065 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494170050 905506386 /nfs/dbraw/zinc/50/63/86/905506386.db2.gz ITPWXENDTXREPT-MJGOQNOKSA-N 0 0 423.847 4.480 20 5 HIBDRN C[C@@H](c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)N1CCOCC1 ZINC000494186360 905520655 /nfs/dbraw/zinc/52/06/55/905520655.db2.gz RORNHQBGTAAFEH-KRWDZBQOSA-N 0 0 424.501 4.185 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1ccccc1OC(F)F ZINC000494197383 905531433 /nfs/dbraw/zinc/53/14/33/905531433.db2.gz DZLWJIALTWIGTI-UHFFFAOYSA-N 0 0 419.306 4.214 20 5 HIBDRN 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ZINC000494378640 905675637 /nfs/dbraw/zinc/67/56/37/905675637.db2.gz OZQJIMUTWCPKIP-GFCCVEGCSA-N 0 0 406.280 4.150 20 5 HIBDRN Cc1nc(C(F)(F)F)ccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000512445615 921167215 /nfs/dbraw/zinc/16/72/15/921167215.db2.gz CSOWLULBIYZRNX-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)c1 ZINC000494489041 905772820 /nfs/dbraw/zinc/77/28/20/905772820.db2.gz CCPZWCHKZGDTKD-AEFFLSMTSA-N 0 0 418.812 4.057 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000494513657 905804677 /nfs/dbraw/zinc/80/46/77/905804677.db2.gz VBIQJGGPYBIXDX-UHFFFAOYSA-N 0 0 418.471 4.011 20 5 HIBDRN Cc1nn(C)c(C(=O)Nc2ccc(C)c(OCc3cccc(Cl)c3)c2)c1[N+](=O)[O-] ZINC000494541728 905821346 /nfs/dbraw/zinc/82/13/46/905821346.db2.gz KZIJOVFXQOABOK-UHFFFAOYSA-N 0 0 414.849 4.430 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccccc2-c2c(F)cccc2F)c(C)c1[N+](=O)[O-] ZINC000494545569 905825887 /nfs/dbraw/zinc/82/58/87/905825887.db2.gz KNLALRBJUNHTKQ-UHFFFAOYSA-N 0 0 400.385 4.382 20 5 HIBDRN CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC000512470232 921182866 /nfs/dbraw/zinc/18/28/66/921182866.db2.gz YFSANLMGMHVSMC-UHFFFAOYSA-N 0 0 404.348 4.466 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(F)(F)F)nc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000512474048 921185026 /nfs/dbraw/zinc/18/50/26/921185026.db2.gz KOXPLAWUNGWXNS-UHFFFAOYSA-N 0 0 421.278 4.179 20 5 HIBDRN CC(C)(C)C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)cc1 ZINC000494659667 905888033 /nfs/dbraw/zinc/88/80/33/905888033.db2.gz BUCZQNCMYTUNQV-SFHVURJKSA-N 0 0 417.485 4.454 20 5 HIBDRN C[C@H](NC(=O)NCc1ccnc(Oc2ccccc2F)c1)c1cccc([N+](=O)[O-])c1 ZINC000494684639 905899369 /nfs/dbraw/zinc/89/93/69/905899369.db2.gz JMLUTTLILRNHJJ-AWEZNQCLSA-N 0 0 410.405 4.482 20 5 HIBDRN COc1cc(CNCc2nc(C(C)(C)C)cs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494714123 905916419 /nfs/dbraw/zinc/91/64/19/905916419.db2.gz ISUGJWPKYJQPFE-UHFFFAOYSA-N 0 0 415.462 4.291 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000494754983 905954765 /nfs/dbraw/zinc/95/47/65/905954765.db2.gz AFXZUAYFUHONPW-UZLBHIALSA-N 0 0 420.469 4.016 20 5 HIBDRN COc1ccc(CNC(=O)c2cc3ccccc3n2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000494802905 906003734 /nfs/dbraw/zinc/00/37/34/906003734.db2.gz ACYNKKLHYTVVPD-UHFFFAOYSA-N 0 0 407.348 4.050 20 5 HIBDRN COc1cc(C(=O)N(C)Cc2ccc(Br)c(F)c2)cc([N+](=O)[O-])c1C ZINC000494864162 906047680 /nfs/dbraw/zinc/04/76/80/906047680.db2.gz HXANCXLOPHSCTL-UHFFFAOYSA-N 0 0 411.227 4.086 20 5 HIBDRN O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000494886755 906063877 /nfs/dbraw/zinc/06/38/77/906063877.db2.gz QKTOLIJSZQJYPU-UHFFFAOYSA-N 0 0 421.457 4.130 20 5 HIBDRN CC[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(C)cs1 ZINC000494895277 906070715 /nfs/dbraw/zinc/07/07/15/906070715.db2.gz RUJCLBSGNXLZTN-ZDUSSCGKSA-N 0 0 402.398 4.329 20 5 HIBDRN Cc1cccc(-c2cccc(CNC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2)c1 ZINC000494897096 906072526 /nfs/dbraw/zinc/07/25/26/906072526.db2.gz IAWGYPDSOIJLTI-UHFFFAOYSA-N 0 0 419.485 4.313 20 5 HIBDRN O=C(NCc1ccc(F)c(Cl)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494911794 906086985 /nfs/dbraw/zinc/08/69/85/906086985.db2.gz VMFHHEIHJZINSB-UHFFFAOYSA-N 0 0 405.735 4.406 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1OCCc2sccc21 ZINC000494945068 906116259 /nfs/dbraw/zinc/11/62/59/906116259.db2.gz FESKEILSRMIGNZ-AUUYWEPGSA-N 0 0 403.504 4.279 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1noc(Cc2ccccc2)n1 ZINC000495005375 906166104 /nfs/dbraw/zinc/16/61/04/906166104.db2.gz JFRWITGGMIMDNK-OAHLLOKOSA-N 0 0 421.457 4.004 20 5 HIBDRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000512522685 921213299 /nfs/dbraw/zinc/21/32/99/921213299.db2.gz XUYQJPXSQUSFEB-WBVHZDCISA-N 0 0 416.547 4.235 20 5 HIBDRN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000495044873 906200067 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421.457 4.130 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000512539093 921223305 /nfs/dbraw/zinc/22/33/05/921223305.db2.gz PCRPROALYXDYGU-HOTGVXAUSA-N 0 0 424.501 4.397 20 5 HIBDRN Cc1ccc(C[C@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000495245276 906333747 /nfs/dbraw/zinc/33/37/47/906333747.db2.gz ZTZADHYRMRACOH-JTQLQIEISA-N 0 0 401.410 4.414 20 5 HIBDRN O=C(NCCOc1ncccc1F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000495270539 906350218 /nfs/dbraw/zinc/35/02/18/906350218.db2.gz VFJGOVVPEJBJMK-UHFFFAOYSA-N 0 0 413.430 4.089 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2cc3ccccc3c3cccnc23)ccc1OCCO ZINC000495361055 906403282 /nfs/dbraw/zinc/40/32/82/906403282.db2.gz UZXKDCFPEMBWQU-MRXNPFEDSA-N 0 0 416.477 4.259 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000495391250 906422882 /nfs/dbraw/zinc/42/28/82/906422882.db2.gz NBCXUOKROQPCDZ-CYBMUJFWSA-N 0 0 411.380 4.261 20 5 HIBDRN 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Cc1cc([C@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000497576848 907060079 /nfs/dbraw/zinc/06/00/79/907060079.db2.gz TUAAVABWLYNUPP-LJQANCHMSA-N 0 0 422.840 4.065 20 5 HIBDRN Cc1cc([C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000497581041 907063454 /nfs/dbraw/zinc/06/34/54/907063454.db2.gz RWOFBJSJHXOTDX-KRWDZBQOSA-N 0 0 423.238 4.019 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(N(C)Cc3ccoc3)c([N+](=O)[O-])c2)c(C)c1 ZINC000497626293 907106226 /nfs/dbraw/zinc/10/62/26/907106226.db2.gz AXEMKPNDOBUOBP-UHFFFAOYSA-N 0 0 415.471 4.242 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000512728944 921297885 /nfs/dbraw/zinc/29/78/85/921297885.db2.gz HIKHHFBNOHABKB-CYBMUJFWSA-N 0 0 424.379 4.202 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cnnn1Cc1ccccc1 ZINC000512729652 921297893 /nfs/dbraw/zinc/29/78/93/921297893.db2.gz RGUBNMRCSAAQBU-UHFFFAOYSA-N 0 0 415.409 4.279 20 5 HIBDRN CC[C@H](C)Oc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)c1 ZINC000497646051 907135293 /nfs/dbraw/zinc/13/52/93/907135293.db2.gz HLCVMUKPZGMGGD-LBPRGKRZSA-N 0 0 413.459 4.294 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)s1 ZINC000512767663 921304163 /nfs/dbraw/zinc/30/41/63/921304163.db2.gz UQGVAGYUGZPBPJ-HNNXBMFYSA-N 0 0 414.917 4.439 20 5 HIBDRN O=C(Nc1cccc(Oc2ccccn2)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497733411 907230472 /nfs/dbraw/zinc/23/04/72/907230472.db2.gz DQCRFMQTDLCTCQ-UHFFFAOYSA-N 0 0 411.439 4.119 20 5 HIBDRN O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497735370 907231574 /nfs/dbraw/zinc/23/15/74/907231574.db2.gz XOFHKZKVWCIJCU-UHFFFAOYSA-N 0 0 420.462 4.392 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1C ZINC000497776755 907269787 /nfs/dbraw/zinc/26/97/87/907269787.db2.gz VBKUWFJIVIAAMU-AWEZNQCLSA-N 0 0 402.394 4.184 20 5 HIBDRN COc1cc([C@H](C)NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])ccc1OC(C)C ZINC000497789822 907280949 /nfs/dbraw/zinc/28/09/49/907280949.db2.gz 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CC(C)OC(=O)C[C@H](NC(=O)c1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000497912676 907384065 /nfs/dbraw/zinc/38/40/65/907384065.db2.gz JXGBKLMLACXAQE-INIZCTEOSA-N 0 0 408.813 4.200 20 5 HIBDRN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000497983161 907458173 /nfs/dbraw/zinc/45/81/73/907458173.db2.gz LNKJEXOBNWXHJL-OAHLLOKOSA-N 0 0 419.311 4.338 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000498013655 907505625 /nfs/dbraw/zinc/50/56/25/907505625.db2.gz HJKYPBGDYXCOLX-QGZVFWFLSA-N 0 0 417.303 4.381 20 5 HIBDRN CNc1c(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] ZINC000498026355 907526393 /nfs/dbraw/zinc/52/63/93/907526393.db2.gz IJAPXDMHUFPDMD-AWEZNQCLSA-N 0 0 418.291 4.104 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c1 ZINC000498031455 907536204 /nfs/dbraw/zinc/53/62/04/907536204.db2.gz YOHLHRHMCVWONV-CQSZACIVSA-N 0 0 419.275 4.071 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000498045914 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VBIYPSXKASPHHK-UHFFFAOYSA-N 0 0 407.426 4.262 20 5 HIBDRN O=C(CCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000498139810 907661462 /nfs/dbraw/zinc/66/14/62/907661462.db2.gz DSLSUWMOBNGVGQ-IBGZPJMESA-N 0 0 406.410 4.110 20 5 HIBDRN CCOc1ccc(SCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000498141501 907663459 /nfs/dbraw/zinc/66/34/59/907663459.db2.gz ZVKANNCDMCPQKS-IBGZPJMESA-N 0 0 404.513 4.360 20 5 HIBDRN O=C(c1ccc(F)c(Br)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498149425 907672333 /nfs/dbraw/zinc/67/23/33/907672333.db2.gz KDIUPHIOPUTTMH-INIZCTEOSA-N 0 0 411.252 4.384 20 5 HIBDRN O=C(c1cc(-c2ccc3c(c2)CCO3)no1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498149415 907672975 /nfs/dbraw/zinc/67/29/75/907672975.db2.gz JWQFAQKJXKWPRJ-NRFANRHFSA-N 0 0 423.450 4.073 20 5 HIBDRN Cc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c2cnn(C(C)C)c2n1 ZINC000498159026 907683611 /nfs/dbraw/zinc/68/36/11/907683611.db2.gz GBMLKQCEEVCTRG-FQEVSTJZSA-N 0 0 411.487 4.117 20 5 HIBDRN CN(C)c1nc2sc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000498159343 907686889 /nfs/dbraw/zinc/68/68/89/907686889.db2.gz LDBZQMMCCGGELE-INIZCTEOSA-N 0 0 420.541 4.220 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1C[C@@H](CO)c2ccccc21 ZINC000498277678 907813570 /nfs/dbraw/zinc/81/35/70/907813570.db2.gz SLOIFBNUXPKBHZ-HNNXBMFYSA-N 0 0 406.463 4.482 20 5 HIBDRN CC(C)c1nc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000498330407 907843524 /nfs/dbraw/zinc/84/35/24/907843524.db2.gz QCUCWJBQTPZBKT-UHFFFAOYSA-N 0 0 413.865 4.225 20 5 HIBDRN COc1cc(Br)cc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000498354650 907854729 /nfs/dbraw/zinc/85/47/29/907854729.db2.gz RJSXDBAIHDQSDL-UHFFFAOYSA-N 0 0 417.263 4.379 20 5 HIBDRN CC(C)c1cccc(C(C)C)c1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000498400650 907882406 /nfs/dbraw/zinc/88/24/06/907882406.db2.gz JQPSWOVIQSATIL-UHFFFAOYSA-N 0 0 412.490 4.280 20 5 HIBDRN CC(C)(C)c1nc(CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cs1 ZINC000498417494 907891575 /nfs/dbraw/zinc/89/15/75/907891575.db2.gz SKAFCXZEVYEGFQ-UHFFFAOYSA-N 0 0 401.410 4.340 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(CC(F)(F)F)C1CC1 ZINC000512861138 921362464 /nfs/dbraw/zinc/36/24/64/921362464.db2.gz NFHUDEONNWHULW-UHFFFAOYSA-N 0 0 402.316 4.259 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cccc1[N+](=O)[O-] ZINC000498454682 907918133 /nfs/dbraw/zinc/91/81/33/907918133.db2.gz OUWIHBKWMSMQJX-UHFFFAOYSA-N 0 0 401.422 4.358 20 5 HIBDRN CCCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000498499345 907973664 /nfs/dbraw/zinc/97/36/64/907973664.db2.gz ZAVRRSGEVABEBN-JQHSSLGASA-N 0 0 409.914 4.026 20 5 HIBDRN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000498518630 907988978 /nfs/dbraw/zinc/98/89/78/907988978.db2.gz XIKHOMKLYSRYMD-UHFFFAOYSA-N 0 0 400.410 4.394 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H](O)C(F)(F)F ZINC000498583079 908036711 /nfs/dbraw/zinc/03/67/11/908036711.db2.gz IKCFBSVREOUJOB-HOTGVXAUSA-N 0 0 414.405 4.178 20 5 HIBDRN COc1ccc(C(=O)Nc2nnc(SCc3cccs3)s2)cc1[N+](=O)[O-] ZINC000498598270 908047026 /nfs/dbraw/zinc/04/70/26/908047026.db2.gz KQCTWNIMOHWNIW-UHFFFAOYSA-N 0 0 408.486 4.061 20 5 HIBDRN Cc1cccc([C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c2ccccn2)c1 ZINC000498599362 908048385 /nfs/dbraw/zinc/04/83/85/908048385.db2.gz DSMFPXRRCHUVPH-JOCHJYFZSA-N 0 0 413.437 4.003 20 5 HIBDRN Cc1cccc([C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccn2)c1 ZINC000498599790 908049500 /nfs/dbraw/zinc/04/95/00/908049500.db2.gz GYJRTNXIFNTSNO-QHCPKHFHSA-N 0 0 400.438 4.228 20 5 HIBDRN Cc1cccc([C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccn2)c1 ZINC000498599789 908049631 /nfs/dbraw/zinc/04/96/31/908049631.db2.gz GYJRTNXIFNTSNO-HSZRJFAPSA-N 0 0 400.438 4.228 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2ccc(Oc3nncc4ccccc43)cc2)c1[N+](=O)[O-] ZINC000498605422 908053908 /nfs/dbraw/zinc/05/39/08/908053908.db2.gz IHBBBMUJAWNGMJ-UHFFFAOYSA-N 0 0 418.413 4.258 20 5 HIBDRN Cc1cccc([C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2ccccn2)c1 ZINC000498617338 908064763 /nfs/dbraw/zinc/06/47/63/908064763.db2.gz CWXXBQPAFAIGCQ-QFIPXVFZSA-N 0 0 402.454 4.392 20 5 HIBDRN COc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000498711356 908136698 /nfs/dbraw/zinc/13/66/98/908136698.db2.gz RGGJTBOZOFWCQD-UHFFFAOYSA-N 0 0 421.438 4.165 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2ccc(C)cc2)cc1 ZINC000512899482 921391390 /nfs/dbraw/zinc/39/13/90/921391390.db2.gz RJAWNPPPFGLLLF-NRFANRHFSA-N 0 0 416.437 4.308 20 5 HIBDRN O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000498858276 908260776 /nfs/dbraw/zinc/26/07/76/908260776.db2.gz KMYBNMOZSPXEJA-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)C1 ZINC000498878645 908276608 /nfs/dbraw/zinc/27/66/08/908276608.db2.gz RSXAUQIFUPADOG-CYBMUJFWSA-N 0 0 411.487 4.084 20 5 HIBDRN CCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccc(OC)cc1 ZINC000498915391 908323606 /nfs/dbraw/zinc/32/36/06/908323606.db2.gz IISLIFHHWDANOV-UHFFFAOYSA-N 0 0 408.458 4.132 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N[C@H]2CC(=O)c3ccccc32)cc1[N+](=O)[O-])c1ccccn1 ZINC000499042529 908415482 /nfs/dbraw/zinc/41/54/82/908415482.db2.gz HEBYDFZHPHNFFY-VLIAUNLRSA-N 0 0 416.437 4.220 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(Cc3ccccc3CO)CC2)cc1[N+](=O)[O-] ZINC000499101634 908462016 /nfs/dbraw/zinc/46/20/16/908462016.db2.gz OQDGNKXOBXXNOB-QGZVFWFLSA-N 0 0 411.502 4.121 20 5 HIBDRN COc1ccc(Cn2cc(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cn2)cc1 ZINC000499104158 908463778 /nfs/dbraw/zinc/46/37/78/908463778.db2.gz VZJDMQHUZCQXFY-HNNXBMFYSA-N 0 0 409.446 4.039 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000499109337 908468506 /nfs/dbraw/zinc/46/85/06/908468506.db2.gz FACSYSHDZUWLBG-LLUDDFSJSA-N 0 0 409.486 4.178 20 5 HIBDRN O=C(c1ccc(Sc2ccccn2)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000499142313 908499758 /nfs/dbraw/zinc/49/97/58/908499758.db2.gz PMBBBEGODKMTNL-UHFFFAOYSA-N 0 0 420.494 4.103 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3c4ccccc4CC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000499145834 908503304 /nfs/dbraw/zinc/50/33/04/908503304.db2.gz YQSJPIGFWRQYPR-OAHLLOKOSA-N 0 0 404.470 4.438 20 5 HIBDRN Cn1ccnc1Sc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000499223511 908580519 /nfs/dbraw/zinc/58/05/19/908580519.db2.gz RMQAYUDMAPPALQ-UHFFFAOYSA-N 0 0 400.485 4.210 20 5 HIBDRN Cc1ccc(C[C@H]2CCCN2C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000499236710 908599601 /nfs/dbraw/zinc/59/96/01/908599601.db2.gz KZRODERXPAMDHX-HXUWFJFHSA-N 0 0 404.470 4.151 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)cc1SC ZINC000499238685 908604157 /nfs/dbraw/zinc/60/41/57/908604157.db2.gz WBNWVMNVOAQYIV-INIZCTEOSA-N 0 0 400.500 4.481 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)c1ccccc1[N+](=O)[O-] ZINC000512935781 921424300 /nfs/dbraw/zinc/42/43/00/921424300.db2.gz LKMUDUPFNJOMNM-CQSZACIVSA-N 0 0 423.238 4.024 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)cc1OC ZINC000499292711 908664588 /nfs/dbraw/zinc/66/45/88/908664588.db2.gz BAYBPYOAMSFQED-CYBMUJFWSA-N 0 0 422.865 4.115 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1C ZINC000499297761 908669161 /nfs/dbraw/zinc/66/91/61/908669161.db2.gz HITQXICREIIEBZ-SFHVURJKSA-N 0 0 414.458 4.115 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(Cl)ccc1Sc1ccccc1 ZINC000499313796 908687628 /nfs/dbraw/zinc/68/76/28/908687628.db2.gz PTFJDQXBZBUROQ-UHFFFAOYSA-N 0 0 415.858 4.200 20 5 HIBDRN CCc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc2n1 ZINC000499509344 908822391 /nfs/dbraw/zinc/82/23/91/908822391.db2.gz JJXQVHNJOXURJH-UHFFFAOYSA-N 0 0 407.473 4.326 20 5 HIBDRN CCCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000499528240 908830012 /nfs/dbraw/zinc/83/00/12/908830012.db2.gz KHLPCEAQIJENNT-UHFFFAOYSA-N 0 0 417.828 4.020 20 5 HIBDRN 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CC[C@H](C)Sc1ccc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C)c1 ZINC000499806474 908939585 /nfs/dbraw/zinc/93/95/85/908939585.db2.gz YMFJTZDFACUJAF-ZDUSSCGKSA-N 0 0 415.471 4.340 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(COCCOc2ccccc2)c1 ZINC000499806003 908940543 /nfs/dbraw/zinc/94/05/43/908940543.db2.gz GXIMSITVHHOWEB-UHFFFAOYSA-N 0 0 407.426 4.025 20 5 HIBDRN O=C(Nc1ccccc1OCCc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000512985065 921454175 /nfs/dbraw/zinc/45/41/75/921454175.db2.gz AONPRAZWKINPLX-UHFFFAOYSA-N 0 0 402.410 4.345 20 5 HIBDRN CC[C@@H](NC(=O)N[C@H]1C[C@H](c2ccc(OC)c(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000499832790 908966685 /nfs/dbraw/zinc/96/66/85/908966685.db2.gz WMIPCDSGNBAQHJ-GPMSIDNRSA-N 0 0 401.438 4.439 20 5 HIBDRN C[C@]1(c2ccccc2)CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000499908714 909025668 /nfs/dbraw/zinc/02/56/68/909025668.db2.gz UMOHUIHFPVVEKY-DEOSSOPVSA-N 0 0 407.514 4.392 20 5 HIBDRN CCCc1c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cnn1Cc1ccccc1 ZINC000512994736 921461722 /nfs/dbraw/zinc/46/17/22/921461722.db2.gz YGVFTCSDDGBATI-UHFFFAOYSA-N 0 0 406.486 4.107 20 5 HIBDRN Cc1cc(CCC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccc1Br ZINC000512999956 921466413 /nfs/dbraw/zinc/46/64/13/921466413.db2.gz VWEPZRRTXOXYDO-UHFFFAOYSA-N 0 0 405.292 4.299 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CNCc1cc(F)c(F)cc1Br ZINC000513007117 921471406 /nfs/dbraw/zinc/47/14/06/921471406.db2.gz JKODKYTUPCRDPH-UHFFFAOYSA-N 0 0 401.207 4.324 20 5 HIBDRN COCC[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000513009670 921474730 /nfs/dbraw/zinc/47/47/30/921474730.db2.gz ULWLFWLFLQUNKW-YWZLYKJASA-N 0 0 414.506 4.344 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000513009271 921474994 /nfs/dbraw/zinc/47/49/94/921474994.db2.gz RFOBKJILQCJPBN-RDTXWAMCSA-N 0 0 424.906 4.003 20 5 HIBDRN O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000513015179 921479815 /nfs/dbraw/zinc/47/98/15/921479815.db2.gz RYRNVFRMYZGRBK-UHFFFAOYSA-N 0 0 401.728 4.391 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000513015585 921479996 /nfs/dbraw/zinc/47/99/96/921479996.db2.gz XRTLBOBAQHBHPC-UHFFFAOYSA-N 0 0 419.268 4.402 20 5 HIBDRN COc1ccccc1C1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000499965489 909407372 /nfs/dbraw/zinc/40/73/72/909407372.db2.gz HYPUVCOSADZYRM-UHFFFAOYSA-N 0 0 409.467 4.189 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 ZINC000500030082 909487289 /nfs/dbraw/zinc/48/72/89/909487289.db2.gz BOPHXYTUIXAPPY-UHFFFAOYSA-N 0 0 409.490 4.201 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000500085606 909563993 /nfs/dbraw/zinc/56/39/93/909563993.db2.gz GTOHIDUFBRXHOZ-JTSKRJEESA-N 0 0 417.465 4.252 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000500121370 909604158 /nfs/dbraw/zinc/60/41/58/909604158.db2.gz KBASIUXBPSUJAV-UHFFFAOYSA-N 0 0 422.388 4.249 20 5 HIBDRN COc1ccc(S(=O)(=O)N(C)[C@@H](c2ccccc2Cl)C(C)C)c([N+](=O)[O-])c1 ZINC000500151431 909628048 /nfs/dbraw/zinc/62/80/48/909628048.db2.gz AIAJHZPZOYYLJM-GOSISDBHSA-N 0 0 412.895 4.275 20 5 HIBDRN CO[C@@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000500275416 909754462 /nfs/dbraw/zinc/75/44/62/909754462.db2.gz VDVQSVDXAWBRRO-HXUWFJFHSA-N 0 0 417.465 4.425 20 5 HIBDRN CO[C@H]1Cc2ccccc2N(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000500309739 909771785 /nfs/dbraw/zinc/77/17/85/909771785.db2.gz VPDFAOCVSFMTSC-APWZRJJASA-N 0 0 409.486 4.049 20 5 HIBDRN C[C@H](C(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000500329743 909790525 /nfs/dbraw/zinc/79/05/25/909790525.db2.gz HHETWPGUIKSPKK-RNODOKPDSA-N 0 0 406.841 4.009 20 5 HIBDRN C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(Oc2cccnc2)cc1 ZINC000500524234 909906034 /nfs/dbraw/zinc/90/60/34/909906034.db2.gz VHYUCSDHWKBYHI-INIZCTEOSA-N 0 0 406.442 4.385 20 5 HIBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2ccccc2)cs1 ZINC000500533677 909911846 /nfs/dbraw/zinc/91/18/46/909911846.db2.gz UIMRINULZFFTOD-NSHDSACASA-N 0 0 423.903 4.411 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000500751784 910060450 /nfs/dbraw/zinc/06/04/50/910060450.db2.gz UDFGHNSIONPUDM-UHFFFAOYSA-N 0 0 418.478 4.498 20 5 HIBDRN Cc1ncc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 ZINC000500879341 910152122 /nfs/dbraw/zinc/15/21/22/910152122.db2.gz BGENMCWJYPYVHQ-UHFFFAOYSA-N 0 0 414.409 4.234 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000501043164 910256479 /nfs/dbraw/zinc/25/64/79/910256479.db2.gz INDXJFBLQKZPFF-CQSZACIVSA-N 0 0 411.549 4.048 20 5 HIBDRN COc1cc(CN2[C@@H](C)COC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000501052031 910263255 /nfs/dbraw/zinc/26/32/55/910263255.db2.gz IZYJYDIQLGNPBY-SUMWQHHRSA-N 0 0 408.401 4.167 20 5 HIBDRN Cc1ccc(NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1[N+](=O)[O-] ZINC000501124185 910305983 /nfs/dbraw/zinc/30/59/83/910305983.db2.gz YDNJMAAIGHAMBO-QGZVFWFLSA-N 0 0 420.263 4.271 20 5 HIBDRN O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000501281543 910445262 /nfs/dbraw/zinc/44/52/62/910445262.db2.gz XHUVUVVXUFZJNH-GOSISDBHSA-N 0 0 407.817 4.039 20 5 HIBDRN CCNc1ccc(C(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)cc1[N+](=O)[O-] ZINC000501401396 910530424 /nfs/dbraw/zinc/53/04/24/910530424.db2.gz VWHBPYZAYMPACV-UHFFFAOYSA-N 0 0 422.441 4.153 20 5 HIBDRN O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000501476552 910593128 /nfs/dbraw/zinc/59/31/28/910593128.db2.gz FAPIHSGYJCAWCK-GOSISDBHSA-N 0 0 408.479 4.079 20 5 HIBDRN CCOc1cc(CN[C@@H]2CCOc3c(Br)cccc32)ccc1[N+](=O)[O-] ZINC000501559421 910666211 /nfs/dbraw/zinc/66/62/11/910666211.db2.gz FGUBPYRIKMHWIY-OAHLLOKOSA-N 0 0 407.264 4.369 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1N1CCSCC1 ZINC000501614888 910716281 /nfs/dbraw/zinc/71/62/81/910716281.db2.gz PGTCNBSSPPRSSF-UHFFFAOYSA-N 0 0 406.895 4.123 20 5 HIBDRN COc1cccc(C2=CCN(C(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)C2)c1 ZINC000501687363 910757850 /nfs/dbraw/zinc/75/78/50/910757850.db2.gz JZDXEKMHEFKZGD-KRWDZBQOSA-N 0 0 421.497 4.379 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000501689654 910759617 /nfs/dbraw/zinc/75/96/17/910759617.db2.gz PUJFRGAVAIBSAG-UHFFFAOYSA-N 0 0 404.348 4.072 20 5 HIBDRN COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000501705673 910773425 /nfs/dbraw/zinc/77/34/25/910773425.db2.gz JIAUAJIRVWNYPW-UHFFFAOYSA-N 0 0 411.458 4.180 20 5 HIBDRN CCOc1ccc(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1[N+](=O)[O-] ZINC000501706425 910773658 /nfs/dbraw/zinc/77/36/58/910773658.db2.gz LGHAPSHUTWSIEO-UHFFFAOYSA-N 0 0 411.389 4.250 20 5 HIBDRN CC(C)c1nc([C@@H]2COCCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)no1 ZINC000501706773 910775624 /nfs/dbraw/zinc/77/56/24/910775624.db2.gz MRPAKVCCKJFJEO-KRWDZBQOSA-N 0 0 414.487 4.403 20 5 HIBDRN Cc1cccc(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1[N+](=O)[O-] ZINC000501745092 910804723 /nfs/dbraw/zinc/80/47/23/910804723.db2.gz NALSCPAXTLWSOW-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCCC[C@@H]1CCO ZINC000501776398 910830948 /nfs/dbraw/zinc/83/09/48/910830948.db2.gz YLEAQFHFWHESJT-MRXNPFEDSA-N 0 0 404.850 4.418 20 5 HIBDRN CC(C)c1nc([C@@H]2CCCCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])no1 ZINC000501794124 910847562 /nfs/dbraw/zinc/84/75/62/910847562.db2.gz WITYXQXAMKSRPX-KRWDZBQOSA-N 0 0 401.467 4.047 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000501823543 910869160 /nfs/dbraw/zinc/86/91/60/910869160.db2.gz INSSWPBWBUDQGV-IBGZPJMESA-N 0 0 406.442 4.331 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000501823544 910869325 /nfs/dbraw/zinc/86/93/25/910869325.db2.gz INSSWPBWBUDQGV-LJQANCHMSA-N 0 0 406.442 4.331 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC000501831269 910872431 /nfs/dbraw/zinc/87/24/31/910872431.db2.gz UTDAONXAEHSZBW-IBGZPJMESA-N 0 0 424.432 4.470 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(-n3c(C)c[nH]c3=O)cc2)c1 ZINC000501835836 910876302 /nfs/dbraw/zinc/87/63/02/910876302.db2.gz ZWARUVDHHKYLGY-ZDUSSCGKSA-N 0 0 412.471 4.007 20 5 HIBDRN Cc1nc([C@H]2CCCCCN2C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)no1 ZINC000501839021 910879175 /nfs/dbraw/zinc/87/91/75/910879175.db2.gz GRKUVAQZFFCMME-MRXNPFEDSA-N 0 0 413.459 4.167 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000501839113 910879260 /nfs/dbraw/zinc/87/92/60/910879260.db2.gz HKMCUZUEEQDWEK-LJQANCHMSA-N 0 0 406.442 4.331 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](c2ccccc2F)C1 ZINC000502117285 911045049 /nfs/dbraw/zinc/04/50/49/911045049.db2.gz UUHULSVOBGNGPO-CYBMUJFWSA-N 0 0 407.239 4.055 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000502142202 911065986 /nfs/dbraw/zinc/06/59/86/911065986.db2.gz LSWQZMUSBGHAKI-LBPRGKRZSA-N 0 0 412.364 4.426 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000502378615 911365524 /nfs/dbraw/zinc/36/55/24/911365524.db2.gz LMQZBUZSYJPVKB-LLVKDONJSA-N 0 0 403.287 4.424 20 5 HIBDRN COc1cc(CSCc2ccn(C(C)C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000502439674 911425777 /nfs/dbraw/zinc/42/57/77/911425777.db2.gz INZJVVHPCLNVFC-UHFFFAOYSA-N 0 0 401.435 4.458 20 5 HIBDRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000502479446 911475612 /nfs/dbraw/zinc/47/56/12/911475612.db2.gz AAHJFARGQDYLOP-WCQYABFASA-N 0 0 422.268 4.132 20 5 HIBDRN C[C@H](c1ccccc1Br)N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000502487695 911486077 /nfs/dbraw/zinc/48/60/77/911486077.db2.gz VXVRWKOBXXRAIP-CYBMUJFWSA-N 0 0 406.280 4.302 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000502538944 911544309 /nfs/dbraw/zinc/54/43/09/911544309.db2.gz GWOAYVXFRYQCGX-UHFFFAOYSA-N 0 0 406.460 4.375 20 5 HIBDRN COc1cc(CNc2ccc3c(c2)C(=O)CCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000502597915 911604056 /nfs/dbraw/zinc/60/40/56/911604056.db2.gz VUZOOFHAQOGMHB-UHFFFAOYSA-N 0 0 406.385 4.378 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(OC)cc(OC)c1 ZINC000502741295 911765252 /nfs/dbraw/zinc/76/52/52/911765252.db2.gz RYHUTAYFWNHHQW-UHFFFAOYSA-N 0 0 404.488 4.386 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1c(F)cccc1F ZINC000502788558 911810597 /nfs/dbraw/zinc/81/05/97/911810597.db2.gz MMUVJKXSSDIRIT-UHFFFAOYSA-N 0 0 417.334 4.053 20 5 HIBDRN COc1ccccc1CCC[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000502790048 911812498 /nfs/dbraw/zinc/81/24/98/911812498.db2.gz BZOYQSDRRDNXSH-NDEPHWFRSA-N 0 0 400.456 4.140 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000502857493 911866576 /nfs/dbraw/zinc/86/65/76/911866576.db2.gz GDPOPUNNKRVHSY-UHFFFAOYSA-N 0 0 410.451 4.129 20 5 HIBDRN Cc1cc(F)cc([C@]2(F)CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000502902362 911891351 /nfs/dbraw/zinc/89/13/51/911891351.db2.gz HRBZOCMCMWYCAM-FQEVSTJZSA-N 0 0 400.385 4.163 20 5 HIBDRN O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000502997842 911974326 /nfs/dbraw/zinc/97/43/26/911974326.db2.gz LMWBTCJYBDREOH-UHFFFAOYSA-N 0 0 411.364 4.055 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000503039117 912008910 /nfs/dbraw/zinc/00/89/10/912008910.db2.gz NPQFUMJEICNTRO-HNNXBMFYSA-N 0 0 415.515 4.114 20 5 HIBDRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000503101879 912070679 /nfs/dbraw/zinc/07/06/79/912070679.db2.gz WUIXOLUDDDHYPT-UHFFFAOYSA-N 0 0 406.442 4.018 20 5 HIBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(SC2CCCC2)cc1 ZINC000503112601 912077272 /nfs/dbraw/zinc/07/72/72/912077272.db2.gz RHNPZGMSZOKJKF-UHFFFAOYSA-N 0 0 413.455 4.176 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000503117173 912081330 /nfs/dbraw/zinc/08/13/30/912081330.db2.gz YVBIVPITCFLPTN-SFHVURJKSA-N 0 0 403.504 4.056 20 5 HIBDRN COc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])s2)c(F)c1 ZINC000503179033 912153318 /nfs/dbraw/zinc/15/33/18/912153318.db2.gz KBJNHWQJUUVSHB-UHFFFAOYSA-N 0 0 415.446 4.447 20 5 HIBDRN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000503194892 912173302 /nfs/dbraw/zinc/17/33/02/912173302.db2.gz CNFDKVGRBUMKNQ-UHFFFAOYSA-N 0 0 407.348 4.085 20 5 HIBDRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000503213590 912193321 /nfs/dbraw/zinc/19/33/21/912193321.db2.gz BYKADFNNDDPKPE-MRXNPFEDSA-N 0 0 424.478 4.060 20 5 HIBDRN C[C@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000503213588 912194205 /nfs/dbraw/zinc/19/42/05/912194205.db2.gz BYKADFNNDDPKPE-INIZCTEOSA-N 0 0 424.478 4.060 20 5 HIBDRN O=C(CN[C@@H](c1c(F)cccc1F)C(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000506296889 914891679 /nfs/dbraw/zinc/89/16/79/914891679.db2.gz BMLXRAHONWZWQO-HNNXBMFYSA-N 0 0 423.725 4.358 20 5 HIBDRN Cc1c(NC(=O)CCN[C@H](c2c(F)cccc2F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000506301574 914894653 /nfs/dbraw/zinc/89/46/53/914894653.db2.gz OZCCNXIZNRSCRB-QGZVFWFLSA-N 0 0 417.334 4.403 20 5 HIBDRN Cc1cc(OCc2noc([C@H]3COc4ccccc4O3)n2)c(Cl)cc1[N+](=O)[O-] ZINC000506414411 915023526 /nfs/dbraw/zinc/02/35/26/915023526.db2.gz DQGYWNLSLNOYPS-MRXNPFEDSA-N 0 0 403.778 4.031 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)cc1OC ZINC000506435035 915037140 /nfs/dbraw/zinc/03/71/40/915037140.db2.gz WVPRKLONJWRLIB-CYBMUJFWSA-N 0 0 422.865 4.138 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1nc2ccccc2n1C ZINC000506480886 915085893 /nfs/dbraw/zinc/08/58/93/915085893.db2.gz NKMRQSYTEFWRTP-UHFFFAOYSA-N 0 0 412.515 4.346 20 5 HIBDRN CCOC[C@@H]1CCCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000506487574 915094621 /nfs/dbraw/zinc/09/46/21/915094621.db2.gz PCRFZULGSQOASF-GCJKJVERSA-N 0 0 411.502 4.332 20 5 HIBDRN O=C(COc1c(Cl)cncc1[N+](=O)[O-])N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000506557981 915202769 /nfs/dbraw/zinc/20/27/69/915202769.db2.gz ZPAUWRPHYYSCNY-QGZVFWFLSA-N 0 0 421.837 4.128 20 5 HIBDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000506581299 915230722 /nfs/dbraw/zinc/23/07/22/915230722.db2.gz QMFBGNJNJSKNTP-HNNXBMFYSA-N 0 0 419.441 4.433 20 5 HIBDRN Cc1ccc(NC(=O)N[C@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000506585683 915236835 /nfs/dbraw/zinc/23/68/35/915236835.db2.gz ZRDVUWTWRNAWNJ-AWEZNQCLSA-N 0 0 406.236 4.311 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000506621560 915279825 /nfs/dbraw/zinc/27/98/25/915279825.db2.gz SOKQUSFIVXRXMY-CYBMUJFWSA-N 0 0 422.268 4.393 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN(c2ccccc2F)CC1 ZINC000513392795 921763379 /nfs/dbraw/zinc/76/33/79/921763379.db2.gz XXFLZLIMHXDVHU-OAHLLOKOSA-N 0 0 411.437 4.057 20 5 HIBDRN CC(C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(F)cc1 ZINC000506833821 915608653 /nfs/dbraw/zinc/60/86/53/915608653.db2.gz 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CC(C)(CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000507077695 915856071 /nfs/dbraw/zinc/85/60/71/915856071.db2.gz IFCXJSOJZICTSP-UHFFFAOYSA-N 0 0 421.291 4.220 20 5 HIBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@@H]1CCOC1 ZINC000507078673 915856312 /nfs/dbraw/zinc/85/63/12/915856312.db2.gz ROMSKDNJMMJRIG-KTZOAPACSA-N 0 0 423.494 4.288 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000507088206 915862693 /nfs/dbraw/zinc/86/26/93/915862693.db2.gz NNZABVQIRHJOCY-UHFFFAOYSA-N 0 0 423.694 4.401 20 5 HIBDRN CN(Cc1cnn(-c2ccc(Br)cc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507151959 915893473 /nfs/dbraw/zinc/89/34/73/915893473.db2.gz MXOOOSDNYPBYJJ-UHFFFAOYSA-N 0 0 401.264 4.175 20 5 HIBDRN COc1ccc(OC)c(CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)C)c1 ZINC000507251716 916013047 /nfs/dbraw/zinc/01/30/47/916013047.db2.gz JLIVZBXJHMEYAT-UHFFFAOYSA-N 0 0 416.474 4.279 20 5 HIBDRN Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000507295683 916062363 /nfs/dbraw/zinc/06/23/63/916062363.db2.gz OKRRXFZNKOUKDS-LBPRGKRZSA-N 0 0 413.293 4.014 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000507333438 916091931 /nfs/dbraw/zinc/09/19/31/916091931.db2.gz ULGDWUGRGSCLPK-CYBMUJFWSA-N 0 0 421.469 4.384 20 5 HIBDRN O=C(Nc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000507460541 916228966 /nfs/dbraw/zinc/22/89/66/916228966.db2.gz OFMAPJHPFWQXSG-UHFFFAOYSA-N 0 0 411.801 4.458 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000507568963 916324008 /nfs/dbraw/zinc/32/40/08/916324008.db2.gz VFXVLTUPMYFTNB-UHFFFAOYSA-N 0 0 413.427 4.127 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000507587440 916339803 /nfs/dbraw/zinc/33/98/03/916339803.db2.gz YXKMUTUPGZSHSV-UHFFFAOYSA-N 0 0 420.918 4.205 20 5 HIBDRN CS(=O)(=O)c1cc(SCCCOc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000507596463 916351373 /nfs/dbraw/zinc/35/13/73/916351373.db2.gz DASKPVDIPRSLQY-UHFFFAOYSA-N 0 0 401.893 4.213 20 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C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC000508055700 916881806 /nfs/dbraw/zinc/88/18/06/916881806.db2.gz WWUMMMIJHZFDMR-SECBINFHSA-N 0 0 424.310 4.294 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC23CCC(C(F)(F)F)(CC2)CC3)c(Cl)c1 ZINC000508087759 916905962 /nfs/dbraw/zinc/90/59/62/916905962.db2.gz XQRDMZMGHKZITR-UHFFFAOYSA-N 0 0 412.817 4.182 20 5 HIBDRN COC(=O)[C@]1(C)CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000508095598 916911368 /nfs/dbraw/zinc/91/13/68/916911368.db2.gz JVIULCOZMLCSEJ-OAQYLSRUSA-N 0 0 414.483 4.080 20 5 HIBDRN COC(=O)[C@@]1(C)CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000508100888 916916581 /nfs/dbraw/zinc/91/65/81/916916581.db2.gz HYPUNMLYFWOHCA-FQEVSTJZSA-N 0 0 418.833 4.066 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000508107275 916922411 /nfs/dbraw/zinc/92/24/11/916922411.db2.gz WWUBQKPHZGTKFE-DOJUMQAQSA-N 0 0 403.438 4.226 20 5 HIBDRN 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917732038 /nfs/dbraw/zinc/73/20/38/917732038.db2.gz IOCMPVQYCJPERP-VIFPVBQESA-N 0 0 401.207 4.495 20 5 HIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000508979497 917733692 /nfs/dbraw/zinc/73/36/92/917733692.db2.gz LGOSUMPJAHALEP-UHFFFAOYSA-N 0 0 408.849 4.019 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000509029086 917784007 /nfs/dbraw/zinc/78/40/07/917784007.db2.gz FEOKZIOIUVIREN-KRWDZBQOSA-N 0 0 404.438 4.415 20 5 HIBDRN Cc1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1 ZINC000509032034 917786881 /nfs/dbraw/zinc/78/68/81/917786881.db2.gz GUIHIQIIDTUVFX-UHFFFAOYSA-N 0 0 414.174 4.208 20 5 HIBDRN COc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(OC)c1OC ZINC000509051666 917802782 /nfs/dbraw/zinc/80/27/82/917802782.db2.gz BVLJKPGZALUTAH-UHFFFAOYSA-N 0 0 403.435 4.063 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)CSc1ccccc1OC ZINC000509070824 917816817 /nfs/dbraw/zinc/81/68/17/917816817.db2.gz OMOTYBGGEUHGSI-CYBMUJFWSA-N 0 0 405.476 4.162 20 5 HIBDRN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1CCOC(c1ccccc1)c1ccccc1 ZINC000509071139 917816899 /nfs/dbraw/zinc/81/68/99/917816899.db2.gz VXWPSJHYHILZGG-UHFFFAOYSA-N 0 0 417.421 4.218 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)c1 ZINC000509110132 917849237 /nfs/dbraw/zinc/84/92/37/917849237.db2.gz LGZGQTHSHPNSQH-UHFFFAOYSA-N 0 0 412.870 4.129 20 5 HIBDRN COC(=O)[C@@H](NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)c1cccs1 ZINC000509171701 917885359 /nfs/dbraw/zinc/88/53/59/917885359.db2.gz WICIXQGNRKEOIA-KRWDZBQOSA-N 0 0 422.528 4.439 20 5 HIBDRN O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509262600 917952166 /nfs/dbraw/zinc/95/21/66/917952166.db2.gz HZPLYDSNGLDUQZ-QGZVFWFLSA-N 0 0 422.338 4.343 20 5 HIBDRN CCOc1ccccc1[C@@H](CC)NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000509290233 917972391 /nfs/dbraw/zinc/97/23/91/917972391.db2.gz QHBIOZOKUMNYEO-CQSZACIVSA-N 0 0 424.400 4.485 20 5 HIBDRN Cc1cc(NC(=O)c2ccccc2Oc2ccncc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000509313412 917989012 /nfs/dbraw/zinc/98/90/12/917989012.db2.gz JMGGAUDRGRUOTE-UHFFFAOYSA-N 0 0 400.394 4.313 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)cc1[N+](=O)[O-] ZINC000509367378 918032164 /nfs/dbraw/zinc/03/21/64/918032164.db2.gz WOAMLQFSCUKJOH-SJKOYZFVSA-N 0 0 423.922 4.250 20 5 HIBDRN CCCN(Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000509384424 918051051 /nfs/dbraw/zinc/05/10/51/918051051.db2.gz FGAGXMVCKRIBKI-UHFFFAOYSA-N 0 0 417.456 4.390 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@](CO)(c3ccccc3)C2)nc1OCc1ccccc1 ZINC000509507208 918153860 /nfs/dbraw/zinc/15/38/60/918153860.db2.gz MAVZQHKSAFNFJK-DEOSSOPVSA-N 0 0 419.481 4.099 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000509558118 918209588 /nfs/dbraw/zinc/20/95/88/918209588.db2.gz PXWISVPBYBIVBH-OAHLLOKOSA-N 0 0 420.469 4.201 20 5 HIBDRN CC[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(OC)c(OC)c1 ZINC000509569136 918218923 /nfs/dbraw/zinc/21/89/23/918218923.db2.gz NCVGGXBRXCAVCW-GOSISDBHSA-N 0 0 413.474 4.437 20 5 HIBDRN NC(=O)[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000509579939 918227860 /nfs/dbraw/zinc/22/78/60/918227860.db2.gz UAFALLDNSNMLNM-FQEVSTJZSA-N 0 0 411.845 4.357 20 5 HIBDRN Cc1ccc(Sc2ccc(CN[C@H](C(N)=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000509584794 918234001 /nfs/dbraw/zinc/23/40/01/918234001.db2.gz SKGRAVVLUHUQET-NRFANRHFSA-N 0 0 407.495 4.371 20 5 HIBDRN C[C@@H](NC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000509595546 918243749 /nfs/dbraw/zinc/24/37/49/918243749.db2.gz ZWBHAKMZDVZYFQ-ZIAGYGMSSA-N 0 0 403.508 4.166 20 5 HIBDRN CCOc1ccc(C2=CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000509608123 918255705 /nfs/dbraw/zinc/25/57/05/918255705.db2.gz KGPSNNJUPBFVLP-UHFFFAOYSA-N 0 0 405.454 4.264 20 5 HIBDRN CC[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(OC)c(OC)c1 ZINC000509618088 918265933 /nfs/dbraw/zinc/26/59/33/918265933.db2.gz ZYEAFOBNRRQAQU-LJQANCHMSA-N 0 0 413.474 4.437 20 5 HIBDRN CC[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(OC)c(OC)c1 ZINC000509618087 918266773 /nfs/dbraw/zinc/26/67/73/918266773.db2.gz ZYEAFOBNRRQAQU-IBGZPJMESA-N 0 0 413.474 4.437 20 5 HIBDRN CC[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(OC)c(OC)c1 ZINC000509617324 918266794 /nfs/dbraw/zinc/26/67/94/918266794.db2.gz YIXFREFZYVVMNL-LJQANCHMSA-N 0 0 413.474 4.437 20 5 HIBDRN CCOc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OCC ZINC000509622068 918269987 /nfs/dbraw/zinc/26/99/87/918269987.db2.gz VVYKRFPVCLSXOH-CQSZACIVSA-N 0 0 402.447 4.110 20 5 HIBDRN Cc1noc(C)c1CN(Cc1c(C)noc1C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509655421 918291224 /nfs/dbraw/zinc/29/12/24/918291224.db2.gz FTYHJWUITZQWJD-UHFFFAOYSA-N 0 0 406.389 4.285 20 5 HIBDRN C[C@H](Sc1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000509665713 918297790 /nfs/dbraw/zinc/29/77/90/918297790.db2.gz NEFISKZBENRSFR-LBPRGKRZSA-N 0 0 409.305 4.497 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1[N+](=O)[O-] ZINC000509668257 918301736 /nfs/dbraw/zinc/30/17/36/918301736.db2.gz QJWFUVILIGQJSK-UHFFFAOYSA-N 0 0 418.247 4.267 20 5 HIBDRN COc1ccc(S(=O)(=O)N(C)Cc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000509677928 918309800 /nfs/dbraw/zinc/30/98/00/918309800.db2.gz CFUPMCLRLUUAAN-UHFFFAOYSA-N 0 0 412.467 4.091 20 5 HIBDRN CC1CCN(Cc2csc(NC(=O)CSc3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000509685755 918316535 /nfs/dbraw/zinc/31/65/35/918316535.db2.gz ROVLYEYUSDNENA-UHFFFAOYSA-N 0 0 406.533 4.014 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c(Cl)c1 ZINC000509701507 918332524 /nfs/dbraw/zinc/33/25/24/918332524.db2.gz WTLCEBLZGPZYOE-SMDDNHRTSA-N 0 0 420.796 4.101 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000509730293 918354089 /nfs/dbraw/zinc/35/40/89/918354089.db2.gz 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ZINC000516812312 923897926 /nfs/dbraw/zinc/89/79/26/923897926.db2.gz ZMZXXMABSDKXHD-JTQLQIEISA-N 0 0 404.822 4.217 20 5 HIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1nc2ccccc2cc1Br ZINC000516815451 923901200 /nfs/dbraw/zinc/90/12/00/923901200.db2.gz RGZFMGQYHDTHJR-UHFFFAOYSA-N 0 0 412.203 4.034 20 5 HIBDRN Cc1ccc([C@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000516826029 923908627 /nfs/dbraw/zinc/90/86/27/923908627.db2.gz YJVSIEUZXCBPKL-DEOSSOPVSA-N 0 0 417.465 4.113 20 5 HIBDRN COc1ccccc1CNC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000516831793 923909788 /nfs/dbraw/zinc/90/97/88/923909788.db2.gz XXERGTVTXDVDIJ-INIZCTEOSA-N 0 0 406.438 4.354 20 5 HIBDRN C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000516892315 923928232 /nfs/dbraw/zinc/92/82/32/923928232.db2.gz FIQKWBWPRFCYJP-CYBMUJFWSA-N 0 0 416.890 4.403 20 5 HIBDRN CCCc1ccc(-c2cc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)n(CCO)n2)cc1 ZINC000516903966 923937030 /nfs/dbraw/zinc/93/70/30/923937030.db2.gz 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O=C(CN1CCC(Oc2ccccc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533607346 931921590 /nfs/dbraw/zinc/92/15/90/931921590.db2.gz XXOANKCFOQPEIC-UHFFFAOYSA-N 0 0 424.284 4.384 20 5 HIBDRN CCOC(=O)c1ccnc(NCc2cccc(NC(=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000533638733 931939313 /nfs/dbraw/zinc/93/93/13/931939313.db2.gz UXRVFQZSQOLLAL-UHFFFAOYSA-N 0 0 420.425 4.031 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000533687797 931970255 /nfs/dbraw/zinc/97/02/55/931970255.db2.gz DUAYDFWBTPGQNS-MRXNPFEDSA-N 0 0 411.439 4.314 20 5 HIBDRN C[C@@H]1CCC[C@H]1CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000533737785 932000057 /nfs/dbraw/zinc/00/00/57/932000057.db2.gz CLUVBZVJESFUFB-HIFRSBDPSA-N 0 0 413.440 4.382 20 5 HIBDRN CC[C@@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000533772228 932025564 /nfs/dbraw/zinc/02/55/64/932025564.db2.gz QEJGUNIKWDCEQT-WIYYLYMNSA-N 0 0 422.489 4.301 20 5 HIBDRN COC(=O)c1ccc(-c2nc(CN3CCc4c(cccc4[N+](=O)[O-])C3)cs2)cc1 ZINC000533802472 932039213 /nfs/dbraw/zinc/03/92/13/932039213.db2.gz OSNKOJTZISBCLS-UHFFFAOYSA-N 0 0 409.467 4.063 20 5 HIBDRN C[C@H](CO)[C@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000533850166 932060034 /nfs/dbraw/zinc/06/00/34/932060034.db2.gz KCHKCEYJMUPGLM-NEPJUHHUSA-N 0 0 417.512 4.102 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000533942289 932116314 /nfs/dbraw/zinc/11/63/14/932116314.db2.gz ZKBILDYUOVUVHO-UHFFFAOYSA-N 0 0 420.450 4.316 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000533963059 932137684 /nfs/dbraw/zinc/13/76/84/932137684.db2.gz DZRHLEKEDBHCFA-UHFFFAOYSA-N 0 0 418.453 4.365 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534060903 932238902 /nfs/dbraw/zinc/23/89/02/932238902.db2.gz RZZBJFIGLGIQJP-SFHVURJKSA-N 0 0 404.419 4.455 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)CCCOc3ccc(F)cc3)co2)cc1 ZINC000534061919 932240664 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C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OCc2cccnc2)cc1 ZINC000540325651 939195227 /nfs/dbraw/zinc/19/52/27/939195227.db2.gz RSXVIGUKCZMFIQ-INIZCTEOSA-N 0 0 421.453 4.286 20 5 HIBDRN Cc1cccc(OC(F)F)c1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000563650770 945236657 /nfs/dbraw/zinc/23/66/57/945236657.db2.gz NPGYNDGEWVEYPP-UHFFFAOYSA-N 0 0 404.373 4.350 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000540410208 939238690 /nfs/dbraw/zinc/23/86/90/939238690.db2.gz WUHXZPCZXWVNSK-UHFFFAOYSA-N 0 0 400.179 4.299 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 ZINC000540435716 939248082 /nfs/dbraw/zinc/24/80/82/939248082.db2.gz UNFVECHEMDOIFH-GFCCVEGCSA-N 0 0 402.476 4.077 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000540445199 939252808 /nfs/dbraw/zinc/25/28/08/939252808.db2.gz QTNYDHFCBPDHSW-XLIONFOSSA-N 0 0 415.877 4.108 20 5 HIBDRN CN(C(=O)c1cc(=O)[nH]c2ccccc21)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540451187 939255098 /nfs/dbraw/zinc/25/50/98/939255098.db2.gz JGTXUTBXRWLVEE-UHFFFAOYSA-N 0 0 406.423 4.249 20 5 HIBDRN CCC(=O)Nc1cccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 ZINC000540451302 939255293 /nfs/dbraw/zinc/25/52/93/939255293.db2.gz MMNJWPAYOSTAOX-UHFFFAOYSA-N 0 0 410.455 4.343 20 5 HIBDRN COc1ccccc1SCC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540452655 939256152 /nfs/dbraw/zinc/25/61/52/939256152.db2.gz ZQLSKDQPYNUYPF-UHFFFAOYSA-N 0 0 415.496 4.482 20 5 HIBDRN CN(C(=O)COC/C=C/c1ccccc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540453864 939256962 /nfs/dbraw/zinc/25/69/62/939256962.db2.gz JYCIRYZMFQHMSM-JXMROGBWSA-N 0 0 409.467 4.411 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC000540526246 939288695 /nfs/dbraw/zinc/28/86/95/939288695.db2.gz SDZMPCZRLXHTDP-UHFFFAOYSA-N 0 0 403.504 4.470 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCCc2ccccc2)nc1 ZINC000540529234 939291480 /nfs/dbraw/zinc/29/14/80/939291480.db2.gz DIHRHZLUUKNWKI-UHFFFAOYSA-N 0 0 407.426 4.262 20 5 HIBDRN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c1 ZINC000540539653 939296799 /nfs/dbraw/zinc/29/67/99/939296799.db2.gz ZQGGTNUYHPAEPH-HKUYNNGSSA-N 0 0 416.499 4.018 20 5 HIBDRN CCOc1cccc([C@H]2C[C@H]2NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c1 ZINC000540539654 939296833 /nfs/dbraw/zinc/29/68/33/939296833.db2.gz ZQGGTNUYHPAEPH-IEBWSBKVSA-N 0 0 416.499 4.018 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)COc1ncccc1C(F)(F)F ZINC000540545010 939300319 /nfs/dbraw/zinc/30/03/19/939300319.db2.gz UHRGGGQIHXJRID-UHFFFAOYSA-N 0 0 412.368 4.296 20 5 HIBDRN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000540574621 939309407 /nfs/dbraw/zinc/30/94/07/939309407.db2.gz JVUPLGIPRWUALM-MRXNPFEDSA-N 0 0 413.817 4.146 20 5 HIBDRN CN(C)c1nc2cc(NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])ccc2o1 ZINC000540588491 939312538 /nfs/dbraw/zinc/31/25/38/939312538.db2.gz STTOPLIJRRMWGW-UHFFFAOYSA-N 0 0 403.398 4.116 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)c1 ZINC000540596429 939315335 /nfs/dbraw/zinc/31/53/35/939315335.db2.gz NRUNMNOBRRDRTM-MRXNPFEDSA-N 0 0 410.474 4.480 20 5 HIBDRN Cc1ccc(NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2C)cc1[N+](=O)[O-] ZINC000540601821 939316377 /nfs/dbraw/zinc/31/63/77/939316377.db2.gz FYSLALAZBZRGKL-UWJYYQICSA-N 0 0 406.442 4.114 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1c(Br)cccc1Br ZINC000540603546 939317081 /nfs/dbraw/zinc/31/70/81/939317081.db2.gz NPTAJTCFWXHWOM-UHFFFAOYSA-N 0 0 400.026 4.372 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1-c1cccc(F)c1 ZINC000540631803 939324167 /nfs/dbraw/zinc/32/41/67/939324167.db2.gz BDBANVISVZFUFR-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000540734777 939353257 /nfs/dbraw/zinc/35/32/57/939353257.db2.gz VNVXOMRRYQSVGI-UHFFFAOYSA-N 0 0 422.528 4.284 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC000540736993 939353747 /nfs/dbraw/zinc/35/37/47/939353747.db2.gz PUYXKIBHIVTMNI-UHFFFAOYSA-N 0 0 415.515 4.119 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000540744506 939356001 /nfs/dbraw/zinc/35/60/01/939356001.db2.gz RQCBONBHZLQGHU-INIZCTEOSA-N 0 0 413.499 4.106 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nn1-c1ccccc1Cl ZINC000540745617 939356593 /nfs/dbraw/zinc/35/65/93/939356593.db2.gz VYFMJTOINDRHGG-UHFFFAOYSA-N 0 0 422.832 4.180 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000540770830 939366504 /nfs/dbraw/zinc/36/65/04/939366504.db2.gz VJDDDEAYFSYFKI-UHFFFAOYSA-N 0 0 416.478 4.475 20 5 HIBDRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000540795844 939375433 /nfs/dbraw/zinc/37/54/33/939375433.db2.gz QZTVJSJKEPFELH-UHFFFAOYSA-N 0 0 403.154 4.047 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540799259 939376415 /nfs/dbraw/zinc/37/64/15/939376415.db2.gz CZRYQOKHRXPZEW-MJGOQNOKSA-N 0 0 405.857 4.341 20 5 HIBDRN CC[C@@H](Nc1cccc(CS(=O)(=O)N[C@@H](C)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000540824868 939385465 /nfs/dbraw/zinc/38/54/65/939385465.db2.gz JRYOIVQVRGPJJU-MGPUTAFESA-N 0 0 405.520 4.376 20 5 HIBDRN COCC(=O)Nc1cccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000540915062 939416880 /nfs/dbraw/zinc/41/68/80/939416880.db2.gz APBCSSKKXDJLPX-HSZRJFAPSA-N 0 0 405.454 4.059 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000540998580 939428239 /nfs/dbraw/zinc/42/82/39/939428239.db2.gz ZKYYWNIUGOWZFV-HUUCEWRRSA-N 0 0 410.417 4.340 20 5 HIBDRN CC(=O)Nc1cccc(-n2c(Sc3nc(C)cc(C)c3[N+](=O)[O-])nnc2C2CC2)c1 ZINC000541004642 939429600 /nfs/dbraw/zinc/42/96/00/939429600.db2.gz BFXQAIICAOYZDH-UHFFFAOYSA-N 0 0 424.486 4.174 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541010489 939430726 /nfs/dbraw/zinc/43/07/26/939430726.db2.gz LTRFBQAGRJZOCM-MGPLVRAMSA-N 0 0 414.792 4.356 20 5 HIBDRN O=C(C[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000541028905 939435596 /nfs/dbraw/zinc/43/55/96/939435596.db2.gz GRPFEDBXCSMYIB-HNNXBMFYSA-N 0 0 422.359 4.213 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000541069121 939448874 /nfs/dbraw/zinc/44/88/74/939448874.db2.gz SSEHOFPTVYHMAM-UHFFFAOYSA-N 0 0 421.306 4.156 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000541068935 939448881 /nfs/dbraw/zinc/44/88/81/939448881.db2.gz OTRZVUPMNRMZAM-QGZVFWFLSA-N 0 0 423.372 4.181 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000541098857 939459654 /nfs/dbraw/zinc/45/96/54/939459654.db2.gz POOFAZVDDZKBPW-IBGZPJMESA-N 0 0 406.442 4.412 20 5 HIBDRN COc1cc(CN(C)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c(SC)cc1OC ZINC000541101850 939460582 /nfs/dbraw/zinc/46/05/82/939460582.db2.gz VIOFJYIYSSKSKJ-UHFFFAOYSA-N 0 0 421.475 4.006 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000541103838 939461092 /nfs/dbraw/zinc/46/10/92/939461092.db2.gz JBCCAQWDFQEQID-UHFFFAOYSA-N 0 0 403.435 4.109 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccc(-n3ncc4ccccc43)cc2)s1 ZINC000541189044 939484935 /nfs/dbraw/zinc/48/49/35/939484935.db2.gz JAVJMNPFUGXEQB-UHFFFAOYSA-N 0 0 415.452 4.191 20 5 HIBDRN COc1c(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cccc1C(N)=O ZINC000541246703 939487388 /nfs/dbraw/zinc/48/73/88/939487388.db2.gz UYBKMERDUFASSH-UHFFFAOYSA-N 0 0 401.806 4.228 20 5 HIBDRN COc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000541269440 939488520 /nfs/dbraw/zinc/48/85/20/939488520.db2.gz UVWALMSGRALESJ-UHFFFAOYSA-N 0 0 412.851 4.005 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)cc1 ZINC000541269190 939488542 /nfs/dbraw/zinc/48/85/42/939488542.db2.gz LKGNQKBFSFGPJX-UHFFFAOYSA-N 0 0 405.863 4.106 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000541268235 939488545 /nfs/dbraw/zinc/48/85/45/939488545.db2.gz UKRPKPFODLANGZ-MRXNPFEDSA-N 0 0 402.472 4.068 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000541272171 939488700 /nfs/dbraw/zinc/48/87/00/939488700.db2.gz PBJQCPZRKZDAQX-OAHLLOKOSA-N 0 0 406.332 4.385 20 5 HIBDRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2c2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000541275555 939488990 /nfs/dbraw/zinc/48/89/90/939488990.db2.gz PDROINRRAPIBME-WMZHIEFXSA-N 0 0 415.453 4.381 20 5 HIBDRN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000541282188 939489128 /nfs/dbraw/zinc/48/91/28/939489128.db2.gz MDAGVQULNMBFKL-VBKZILBWSA-N 0 0 416.524 4.105 20 5 HIBDRN COC(=O)CC[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000541284887 939489348 /nfs/dbraw/zinc/48/93/48/939489348.db2.gz WUZYJECRCIAIBK-OAHLLOKOSA-N 0 0 422.890 4.151 20 5 HIBDRN Cc1c(CS(=O)(=O)CCCc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000541288604 939489441 /nfs/dbraw/zinc/48/94/41/939489441.db2.gz MZUBPVYKMYBRLN-UHFFFAOYSA-N 0 0 412.305 4.213 20 5 HIBDRN O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000541301021 939490116 /nfs/dbraw/zinc/49/01/16/939490116.db2.gz MWQYWHNOBOGKEB-UHFFFAOYSA-N 0 0 408.285 4.296 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000541330888 939491229 /nfs/dbraw/zinc/49/12/29/939491229.db2.gz LDSRCWMBPDZVLE-UHFFFAOYSA-N 0 0 419.796 4.289 20 5 HIBDRN O=C(Nc1nc(Cc2ccccc2)cs1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000541349374 939494593 /nfs/dbraw/zinc/49/45/93/939494593.db2.gz LYDYQMOYZASXDJ-UHFFFAOYSA-N 0 0 405.439 4.080 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000541369175 939498548 /nfs/dbraw/zinc/49/85/48/939498548.db2.gz MKBQBELYCSAWJR-ZDUSSCGKSA-N 0 0 411.277 4.161 20 5 HIBDRN C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000541396770 939504920 /nfs/dbraw/zinc/50/49/20/939504920.db2.gz UVYMHOUNVBWYKH-DYVFJYSZSA-N 0 0 406.891 4.329 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000541434938 939515307 /nfs/dbraw/zinc/51/53/07/939515307.db2.gz XMZNSNQDYYVASU-UHFFFAOYSA-N 0 0 412.368 4.010 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000541540046 939547078 /nfs/dbraw/zinc/54/70/78/939547078.db2.gz NLPJANYRZXYBTK-HNNXBMFYSA-N 0 0 401.438 4.335 20 5 HIBDRN COc1ccc(OC)c([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(C)c2Br)c1 ZINC000541577034 939559196 /nfs/dbraw/zinc/55/91/96/939559196.db2.gz BQEFBWXQYJBPJL-AWEZNQCLSA-N 0 0 422.279 4.419 20 5 HIBDRN Cc1c(Br)c(N2CCC[C@@H]2CC(=O)c2ccccc2)ncc1[N+](=O)[O-] ZINC000541578811 939559779 /nfs/dbraw/zinc/55/97/79/939559779.db2.gz NUOVAMJPBMAVMT-CQSZACIVSA-N 0 0 404.264 4.303 20 5 HIBDRN NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c(F)c1 ZINC000541582773 939560283 /nfs/dbraw/zinc/56/02/83/939560283.db2.gz XCWGPQNCLGKXAR-UHFFFAOYSA-N 0 0 417.462 4.367 20 5 HIBDRN Cc1cc(C)c(NC(=O)CN(C)c2ncc([N+](=O)[O-])c(C)c2Br)c(C)c1 ZINC000541591280 939561910 /nfs/dbraw/zinc/56/19/10/939561910.db2.gz RXMSBZQXEYMPRT-UHFFFAOYSA-N 0 0 421.295 4.061 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000541595045 939562601 /nfs/dbraw/zinc/56/26/01/939562601.db2.gz LPLJIXXDIXSKGX-IRXDYDNUSA-N 0 0 404.532 4.376 20 5 HIBDRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541595801 939563065 /nfs/dbraw/zinc/56/30/65/939563065.db2.gz WZVNKBLHJPBQHU-BUXKBTBVSA-N 0 0 409.845 4.250 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000541611747 939570026 /nfs/dbraw/zinc/57/00/26/939570026.db2.gz XQEVPTGNGGPWHB-KGLIPLIRSA-N 0 0 401.438 4.138 20 5 HIBDRN C[C@@H](NC(=O)N1CCc2c(Br)ccc(F)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000541615305 939571002 /nfs/dbraw/zinc/57/10/02/939571002.db2.gz KBPRSBQTAPLPFK-LLVKDONJSA-N 0 0 422.254 4.325 20 5 HIBDRN C[C@H](NC(=O)N1CCc2c(Br)ccc(F)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000541615306 939571107 /nfs/dbraw/zinc/57/11/07/939571107.db2.gz KBPRSBQTAPLPFK-NSHDSACASA-N 0 0 422.254 4.325 20 5 HIBDRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000541622901 939573314 /nfs/dbraw/zinc/57/33/14/939573314.db2.gz YXFJGCNURFYMPI-GOEBONIOSA-N 0 0 403.429 4.070 20 5 HIBDRN C[C@H](C(=O)NCC1(c2ccccc2Br)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541626083 939574516 /nfs/dbraw/zinc/57/45/16/939574516.db2.gz RPYIXCRANUXKGX-LBPRGKRZSA-N 0 0 421.266 4.448 20 5 HIBDRN Cc1csc([C@H](C)CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000541651941 939588211 /nfs/dbraw/zinc/58/82/11/939588211.db2.gz XGBXKIRJOAOVSN-SNVBAGLBSA-N 0 0 416.425 4.100 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@H](CCc2ccccc2)C1 ZINC000541736342 939617066 /nfs/dbraw/zinc/61/70/66/939617066.db2.gz RUYZZEPPPSCXHE-INIZCTEOSA-N 0 0 408.376 4.087 20 5 HIBDRN O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541780542 939628340 /nfs/dbraw/zinc/62/83/40/939628340.db2.gz NHFGRPBNOGNFDK-UHFFFAOYSA-N 0 0 423.326 4.260 20 5 HIBDRN 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HIBDRN CCNC(=O)c1cccc(CN[C@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000542474847 939829342 /nfs/dbraw/zinc/82/93/42/939829342.db2.gz POFAYPDIXKHMRY-QFIPXVFZSA-N 0 0 407.470 4.379 20 5 HIBDRN CCc1noc(-c2ccc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])c(Cl)c2)n1 ZINC000542479877 939830530 /nfs/dbraw/zinc/83/05/30/939830530.db2.gz ZBSDJAIFBOLVDS-UHFFFAOYSA-N 0 0 402.794 4.122 20 5 HIBDRN CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)no1 ZINC000542493551 939832621 /nfs/dbraw/zinc/83/26/21/939832621.db2.gz FMWXOXSPATXIDK-ZDUSSCGKSA-N 0 0 424.404 4.460 20 5 HIBDRN Cc1c(Br)c(NCc2ccc(NC(=O)NC(C)C)cc2)ncc1[N+](=O)[O-] ZINC000542507590 939834288 /nfs/dbraw/zinc/83/42/88/939834288.db2.gz QZEJQLAGWBJNPN-UHFFFAOYSA-N 0 0 422.283 4.203 20 5 HIBDRN COC(=O)c1ccc(Oc2ncc([N+](=O)[O-])c(C)c2Br)c(Cl)c1 ZINC000542508710 939834503 /nfs/dbraw/zinc/83/45/03/939834503.db2.gz NKYYQHWMGDSZPG-UHFFFAOYSA-N 0 0 401.600 4.293 20 5 HIBDRN Cc1cc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl ZINC000542510360 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BKRCXBRJPZEDGE-ZDUSSCGKSA-N 0 0 413.380 4.480 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542551639 939842463 /nfs/dbraw/zinc/84/24/63/939842463.db2.gz RHULKDDGSICFAP-ZDUSSCGKSA-N 0 0 422.478 4.189 20 5 HIBDRN C[C@H]1CCCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2ccccc21 ZINC000542587347 939846603 /nfs/dbraw/zinc/84/66/03/939846603.db2.gz PRNJSLJMAMFQRI-AWEZNQCLSA-N 0 0 423.498 4.419 20 5 HIBDRN Cc1c(NC(=O)N2CCc3c(Br)ccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000542603120 939847738 /nfs/dbraw/zinc/84/77/38/939847738.db2.gz ZJXHSOKJRUOYFC-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000542796482 939860894 /nfs/dbraw/zinc/86/08/94/939860894.db2.gz PQCTYYRZETWDHU-ZDUSSCGKSA-N 0 0 407.392 4.313 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000542855853 939863512 /nfs/dbraw/zinc/86/35/12/939863512.db2.gz ATOOCVZHFYRAJH-KRWDZBQOSA-N 0 0 420.412 4.060 20 5 HIBDRN 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ZINC000542888368 939865447 /nfs/dbraw/zinc/86/54/47/939865447.db2.gz CUPLYLXMMJGBDO-UHFFFAOYSA-N 0 0 420.412 4.144 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000542907189 939876090 /nfs/dbraw/zinc/87/60/90/939876090.db2.gz FVZCCWIRPFNJSW-GOSISDBHSA-N 0 0 408.376 4.146 20 5 HIBDRN COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000542927997 939879590 /nfs/dbraw/zinc/87/95/90/939879590.db2.gz NBQWDYBQWMTCTR-KPFFTGBYSA-N 0 0 423.469 4.015 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)N2CCC[C@@H]2c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000542952594 939884625 /nfs/dbraw/zinc/88/46/25/939884625.db2.gz ZVLGVQFRCALEJC-JOCHJYFZSA-N 0 0 417.465 4.150 20 5 HIBDRN COc1ccc(NC(=O)NCCc2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-] ZINC000542961960 939886674 /nfs/dbraw/zinc/88/66/74/939886674.db2.gz OELCMDUBIDRXKQ-UHFFFAOYSA-N 0 0 406.851 4.231 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000542963556 939886987 /nfs/dbraw/zinc/88/69/87/939886987.db2.gz SBWOFQVSMYONDI-HNNXBMFYSA-N 0 0 422.441 4.460 20 5 HIBDRN CSc1ccc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] ZINC000542989696 939892315 /nfs/dbraw/zinc/89/23/15/939892315.db2.gz VOCBIGFJNPTLJU-LBPRGKRZSA-N 0 0 414.409 4.009 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000542992376 939892735 /nfs/dbraw/zinc/89/27/35/939892735.db2.gz NRLPTKMVOJVUEB-GOSISDBHSA-N 0 0 423.391 4.016 20 5 HIBDRN O=C(Nc1ccc(O)cc1F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000543025797 939898018 /nfs/dbraw/zinc/89/80/18/939898018.db2.gz HRZTXRCBJCLQGN-UHFFFAOYSA-N 0 0 411.176 4.184 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(Oc3nncc4ccccc43)cc2)c1[N+](=O)[O-] ZINC000543102031 939945774 /nfs/dbraw/zinc/94/57/74/939945774.db2.gz VJNDCVBCCZRVFN-UHFFFAOYSA-N 0 0 418.413 4.429 20 5 HIBDRN CCCc1c(NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000543104622 939946225 /nfs/dbraw/zinc/94/62/25/939946225.db2.gz UJNBLHCPQKYHEH-UHFFFAOYSA-N 0 0 422.441 4.162 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1c(F)cc(Br)cc1F ZINC000543121192 939955906 /nfs/dbraw/zinc/95/59/06/939955906.db2.gz VGVWBXPVZRJIHE-UHFFFAOYSA-N 0 0 403.204 4.366 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])c2)no1 ZINC000543121884 939956759 /nfs/dbraw/zinc/95/67/59/939956759.db2.gz SNFXQBSIMCONFB-UHFFFAOYSA-N 0 0 404.835 4.337 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000543142479 939967862 /nfs/dbraw/zinc/96/78/62/939967862.db2.gz FZJPFNSCUXQGCY-ZIAGYGMSSA-N 0 0 407.289 4.122 20 5 HIBDRN C[C@H](Cc1c(F)cccc1F)NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000543143937 939969332 /nfs/dbraw/zinc/96/93/32/939969332.db2.gz PIZUFMSAFNPIKX-SNVBAGLBSA-N 0 0 418.318 4.018 20 5 HIBDRN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543149994 939973749 /nfs/dbraw/zinc/97/37/49/939973749.db2.gz KKXYPIMVKCQKMM-UHFFFAOYSA-N 0 0 419.890 4.180 20 5 HIBDRN O=C(Cc1ccccc1Br)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000543152700 939977031 /nfs/dbraw/zinc/97/70/31/939977031.db2.gz ZTYWSGJPWHCMBJ-UHFFFAOYSA-N 0 0 400.232 4.033 20 5 HIBDRN Cc1cnn(-c2ccccc2)c1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543161214 939981064 /nfs/dbraw/zinc/98/10/64/939981064.db2.gz VLWRTJBWTXOUCL-UHFFFAOYSA-N 0 0 402.863 4.473 20 5 HIBDRN COc1cc(C(=O)N(C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000543187064 939990387 /nfs/dbraw/zinc/99/03/87/939990387.db2.gz DFMGGVAOGDAISQ-CQSZACIVSA-N 0 0 417.487 4.067 20 5 HIBDRN COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl ZINC000543206443 939995555 /nfs/dbraw/zinc/99/55/55/939995555.db2.gz RZHIHCPTHSOJKU-AWEZNQCLSA-N 0 0 417.632 4.199 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000543218293 939999408 /nfs/dbraw/zinc/99/94/08/939999408.db2.gz KTXGDEXBKXUFEF-ZDUSSCGKSA-N 0 0 424.482 4.151 20 5 HIBDRN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543289466 940019443 /nfs/dbraw/zinc/01/94/43/940019443.db2.gz ICBMYFJRXUHZBV-SUMWQHHRSA-N 0 0 406.891 4.329 20 5 HIBDRN COc1cc(C(=O)NCCn2c3ccccc3c3ccccc32)c([N+](=O)[O-])cc1OC ZINC000543355688 940040281 /nfs/dbraw/zinc/04/02/81/940040281.db2.gz FUUKJNLAZOYJSJ-UHFFFAOYSA-N 0 0 419.437 4.150 20 5 HIBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000543381183 940047352 /nfs/dbraw/zinc/04/73/52/940047352.db2.gz FPTQMSHPSSBCRB-INIZCTEOSA-N 0 0 405.241 4.155 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000543385876 940048357 /nfs/dbraw/zinc/04/83/57/940048357.db2.gz CSLKXVZKFDFJKH-GOSISDBHSA-N 0 0 405.401 4.318 20 5 HIBDRN O=C(c1cccc(NCc2ccc([N+](=O)[O-])cc2Cl)c1)N1CCCC[C@H]1CCO ZINC000543395520 940051195 /nfs/dbraw/zinc/05/11/95/940051195.db2.gz HJHUOODRAXNYQG-SFHVURJKSA-N 0 0 417.893 4.237 20 5 HIBDRN CCc1ccc([C@H](NCCNC(=O)c2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543425138 940060763 /nfs/dbraw/zinc/06/07/63/940060763.db2.gz NXQRCSNTNCPYRC-JOCHJYFZSA-N 0 0 407.470 4.168 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(Nc3ccc(OCc4noc(C5CC5)n4)cc3)c21 ZINC000543435192 940063276 /nfs/dbraw/zinc/06/32/76/940063276.db2.gz KVNCPEPAQKFWSX-UHFFFAOYSA-N 0 0 404.386 4.121 20 5 HIBDRN CCO[C@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])c(C)c2Br)cs1 ZINC000543435597 940063609 /nfs/dbraw/zinc/06/36/09/940063609.db2.gz LGKIUONSKARARJ-SNVBAGLBSA-N 0 0 415.313 4.251 20 5 HIBDRN C[C@H](C(=O)N(C)Cc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1F ZINC000543442571 940065161 /nfs/dbraw/zinc/06/51/61/940065161.db2.gz GUOXTSQIWYGHIO-VIFPVBQESA-N 0 0 401.257 4.320 20 5 HIBDRN O=C(NCCOc1ncccc1F)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543457149 940068395 /nfs/dbraw/zinc/06/83/95/940068395.db2.gz IGGFEFDWVSYCRZ-UHFFFAOYSA-N 0 0 419.478 4.220 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1F ZINC000543458227 940068608 /nfs/dbraw/zinc/06/86/08/940068608.db2.gz WVVICEJCUOWIBL-VXGBXAGGSA-N 0 0 416.384 4.212 20 5 HIBDRN CO[C@@H](C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000543482776 940079126 /nfs/dbraw/zinc/07/91/26/940079126.db2.gz RFIJPZXTADFVMY-OAQYLSRUSA-N 0 0 418.409 4.367 20 5 HIBDRN CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000543498912 940086146 /nfs/dbraw/zinc/08/61/46/940086146.db2.gz WEJMQNACRVAWCS-HNNXBMFYSA-N 0 0 401.438 4.023 20 5 HIBDRN CCC(C)(C)OCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000543534503 940097395 /nfs/dbraw/zinc/09/73/95/940097395.db2.gz OLGUUOKESAAOCZ-HNNXBMFYSA-N 0 0 413.474 4.116 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)cc1 ZINC000543547573 940103851 /nfs/dbraw/zinc/10/38/51/940103851.db2.gz YRUXXOJZHYTWMF-CYBMUJFWSA-N 0 0 420.429 4.108 20 5 HIBDRN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000543642148 940147140 /nfs/dbraw/zinc/14/71/40/940147140.db2.gz OYJIPZJJROUXFU-UHFFFAOYSA-N 0 0 411.180 4.265 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 ZINC000543679863 940158422 /nfs/dbraw/zinc/15/84/22/940158422.db2.gz JNYNCFMZYJNXOC-ZDUSSCGKSA-N 0 0 405.501 4.203 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000543692696 940161163 /nfs/dbraw/zinc/16/11/63/940161163.db2.gz TXGNYJMWLOGDLX-MRXNPFEDSA-N 0 0 424.226 4.102 20 5 HIBDRN C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000543785592 940186525 /nfs/dbraw/zinc/18/65/25/940186525.db2.gz IWOHVYHLEIWHEQ-ZDUSSCGKSA-N 0 0 405.401 4.287 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)n1 ZINC000543791229 940188472 /nfs/dbraw/zinc/18/84/72/940188472.db2.gz FRKQPKWZQJMSEP-INIZCTEOSA-N 0 0 422.407 4.401 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000543808613 940193527 /nfs/dbraw/zinc/19/35/27/940193527.db2.gz RSXXXLPNPOYRIB-SCLBCKFNSA-N 0 0 423.391 4.014 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000543820563 940197897 /nfs/dbraw/zinc/19/78/97/940197897.db2.gz YRAYZNMKYWCDDH-UHFFFAOYSA-N 0 0 409.364 4.052 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000543847699 940207488 /nfs/dbraw/zinc/20/74/88/940207488.db2.gz ZQQADSMTTOMSCQ-UHFFFAOYSA-N 0 0 404.348 4.371 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ncccc1OCC(F)(F)F ZINC000543853656 940210000 /nfs/dbraw/zinc/21/00/00/940210000.db2.gz LRTWKKDKXTVCHQ-UHFFFAOYSA-N 0 0 409.242 4.202 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543875586 940220989 /nfs/dbraw/zinc/22/09/89/940220989.db2.gz DAWGCZOGZMPEES-FZKQIMNGSA-N 0 0 423.391 4.014 20 5 HIBDRN CCN(CC)C(=O)CCC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000543893803 940230249 /nfs/dbraw/zinc/23/02/49/940230249.db2.gz BTXSKHZTHRPIAL-UHFFFAOYSA-N 0 0 401.429 4.479 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(OC)c(Oc3ccc(C)nn3)c2)c1 ZINC000543899017 940232619 /nfs/dbraw/zinc/23/26/19/940232619.db2.gz FJJZZNFLEKWIBX-UHFFFAOYSA-N 0 0 410.386 4.024 20 5 HIBDRN CCN(CC)C(=O)CCC1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000543908563 940238320 /nfs/dbraw/zinc/23/83/20/940238320.db2.gz RRUHWNBASPVTPN-QGZVFWFLSA-N 0 0 418.538 4.034 20 5 HIBDRN O=C(Nc1nc(C2CCOCC2)cs1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563827755 945307100 /nfs/dbraw/zinc/30/71/00/945307100.db2.gz OMFPSNWOEJJUTM-UHFFFAOYSA-N 0 0 401.366 4.216 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)ccc1OCCO ZINC000543952314 940267201 /nfs/dbraw/zinc/26/72/01/940267201.db2.gz ZVSCNJWSADULEO-UHFFFAOYSA-N 0 0 404.488 4.275 20 5 HIBDRN O=C(CC1CCC(C(F)(F)F)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000543973808 940279585 /nfs/dbraw/zinc/27/95/85/940279585.db2.gz TZFPTXRVOJSFRO-UHFFFAOYSA-N 0 0 402.369 4.453 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(Br)cc1Cl ZINC000544042390 940307959 /nfs/dbraw/zinc/30/79/59/940307959.db2.gz DGBNJWDBUXLKDE-UHFFFAOYSA-N 0 0 414.643 4.341 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)nc(/C=C/c1cn(Cc3cccnc3)nn1)n2-c1ccccc1 ZINC000544045478 940309462 /nfs/dbraw/zinc/30/94/62/940309462.db2.gz LKDKQCDMCMFANP-DHZHZOJOSA-N 0 0 423.436 4.139 20 5 HIBDRN COc1ccc([C@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000544048927 940310355 /nfs/dbraw/zinc/31/03/55/940310355.db2.gz CUBGIGGSBPPGKW-AWEZNQCLSA-N 0 0 406.891 4.365 20 5 HIBDRN O=C(CCn1cc(-c2ccccc2[N+](=O)[O-])cn1)Nc1ccc(Br)cc1 ZINC000544049467 940310920 /nfs/dbraw/zinc/31/09/20/940310920.db2.gz VYBOCXUTAFBVDY-UHFFFAOYSA-N 0 0 415.247 4.250 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)CSc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000544058232 940312872 /nfs/dbraw/zinc/31/28/72/940312872.db2.gz XLXHTVMRZHSKGF-INIZCTEOSA-N 0 0 402.472 4.068 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3ccc(Oc4ncccn4)cc3)no2)cc1 ZINC000544062158 940315205 /nfs/dbraw/zinc/31/52/05/940315205.db2.gz LZCGIICGXUDYQQ-UHFFFAOYSA-N 0 0 411.324 4.367 20 5 HIBDRN CCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000544070321 940317395 /nfs/dbraw/zinc/31/73/95/940317395.db2.gz RREVCVXJOMABSI-HNNXBMFYSA-N 0 0 402.472 4.198 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccco1)Cc1cccs1 ZINC000544111303 940328752 /nfs/dbraw/zinc/32/87/52/940328752.db2.gz QDLFZSKPGGTINF-UHFFFAOYSA-N 0 0 401.444 4.170 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccccc2F)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000563853212 945315315 /nfs/dbraw/zinc/31/53/15/945315315.db2.gz CMGKASUESOCJLY-UHFFFAOYSA-N 0 0 422.416 4.189 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NCC[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000544140338 940336229 /nfs/dbraw/zinc/33/62/29/940336229.db2.gz QHGKLRJIMSSIFU-IKGGRYGDSA-N 0 0 412.490 4.098 20 5 HIBDRN CC(C)NC(=O)Nc1cccc(-c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000544143458 940337188 /nfs/dbraw/zinc/33/71/88/940337188.db2.gz YPMMXCNEPDADNZ-UHFFFAOYSA-N 0 0 413.459 4.467 20 5 HIBDRN CC(C)NC(=O)Nc1cccc(-c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)c1 ZINC000544150384 940338125 /nfs/dbraw/zinc/33/81/25/940338125.db2.gz XESUIPDJAGEFBY-UHFFFAOYSA-N 0 0 406.402 4.323 20 5 HIBDRN COC(=O)c1ccc(OCc2nc(-c3c(F)cccc3F)cs2)c([N+](=O)[O-])c1 ZINC000544209821 940355398 /nfs/dbraw/zinc/35/53/98/940355398.db2.gz UNBCJNZLAGQXKI-UHFFFAOYSA-N 0 0 406.366 4.362 20 5 HIBDRN CCOc1cc(NC(=O)N(C)C[C@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC ZINC000544231091 940361572 /nfs/dbraw/zinc/36/15/72/940361572.db2.gz UHQLVKXXCONTNU-LBPRGKRZSA-N 0 0 408.480 4.116 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCCC4(CCCC4)C3)n2C[C@@H]2CCOC2)c1 ZINC000563873623 945317850 /nfs/dbraw/zinc/31/78/50/945317850.db2.gz MBMBBGZIEAKJHR-KRWDZBQOSA-N 0 0 411.506 4.050 20 5 HIBDRN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000544323077 940390461 /nfs/dbraw/zinc/39/04/61/940390461.db2.gz OYGXEXVIQLKCRB-HXOBKFHXSA-N 0 0 423.513 4.430 20 5 HIBDRN CC1CCC(c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)CC1 ZINC000544326514 940391261 /nfs/dbraw/zinc/39/12/61/940391261.db2.gz SDWCCBDTMKWTHN-UHFFFAOYSA-N 0 0 400.464 4.218 20 5 HIBDRN CN(Cc1nc(-c2ccc(OCc3ccccc3)nc2)no1)c1ccccc1[N+](=O)[O-] ZINC000544356294 940399158 /nfs/dbraw/zinc/39/91/58/940399158.db2.gz OENNATAZXPOSDC-UHFFFAOYSA-N 0 0 417.425 4.255 20 5 HIBDRN CCc1ccc([C@@H](NCc2cnn(CC(F)(F)F)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544357086 940399944 /nfs/dbraw/zinc/39/99/44/940399944.db2.gz GPVUMQZXHLCCJW-SFHVURJKSA-N 0 0 408.380 4.388 20 5 HIBDRN C[C@H](C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000544401287 940413058 /nfs/dbraw/zinc/41/30/58/940413058.db2.gz KHODIRLUNJMAHM-KPZWWZAWSA-N 0 0 416.840 4.130 20 5 HIBDRN CCCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000544426109 940425388 /nfs/dbraw/zinc/42/53/88/940425388.db2.gz IDKSCANCXJXYLE-LSDHHAIUSA-N 0 0 401.438 4.103 20 5 HIBDRN C[C@H](C(=O)N1CCC(OCCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544444942 940433503 /nfs/dbraw/zinc/43/35/03/940433503.db2.gz GWDOIYKPFTUGPG-INIZCTEOSA-N 0 0 400.450 4.088 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544445671 940433867 /nfs/dbraw/zinc/43/38/67/940433867.db2.gz SPXYTHBMBFRFEV-KBPBESRZSA-N 0 0 406.479 4.391 20 5 HIBDRN CCC(C)(C)OCc1ccccc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000544460714 940440406 /nfs/dbraw/zinc/44/04/06/940440406.db2.gz VSHVOIPEQRYQER-UHFFFAOYSA-N 0 0 400.431 4.339 20 5 HIBDRN C[C@H](C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544491369 940455870 /nfs/dbraw/zinc/45/58/70/940455870.db2.gz DUQVYAQDVFHRNY-VOJFVSQTSA-N 0 0 410.804 4.230 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000544520174 940470414 /nfs/dbraw/zinc/47/04/14/940470414.db2.gz QQPQCZYBLKHEHG-AWEZNQCLSA-N 0 0 401.467 4.013 20 5 HIBDRN Cc1cc(C)n(Cc2ccc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)cc2)n1 ZINC000544544988 940476405 /nfs/dbraw/zinc/47/64/05/940476405.db2.gz NMIQDCLKABSPCC-UHFFFAOYSA-N 0 0 418.457 4.161 20 5 HIBDRN 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Cc1cc(Cc2noc(-c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)n2)no1 ZINC000544982974 940530691 /nfs/dbraw/zinc/53/06/91/940530691.db2.gz FGWKIIDOXMQPBM-UHFFFAOYSA-N 0 0 421.200 4.025 20 5 HIBDRN O=C1CCCN1Cc1ccc(-c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)cc1 ZINC000544992549 940531541 /nfs/dbraw/zinc/53/15/41/940531541.db2.gz CVRALULUQZFFBT-UHFFFAOYSA-N 0 0 404.382 4.180 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(COc4ccccc4C)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000545002875 940532604 /nfs/dbraw/zinc/53/26/04/940532604.db2.gz AVNGWGMIRIVYSU-UHFFFAOYSA-N 0 0 419.441 4.394 20 5 HIBDRN Cc1noc(C)c1[C@H](C)Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000545006356 940532808 /nfs/dbraw/zinc/53/28/08/940532808.db2.gz CYFDXXZOPDQQQY-SECBINFHSA-N 0 0 421.251 4.282 20 5 HIBDRN COCc1ccsc1-c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000545011585 940533391 /nfs/dbraw/zinc/53/33/91/940533391.db2.gz PRGCBXVZXRQHSV-UHFFFAOYSA-N 0 0 410.249 4.206 20 5 HIBDRN COc1cccc2[nH]cc(Cc3noc(-c4ccc(N5CCCC5)c([N+](=O)[O-])c4)n3)c21 ZINC000545019712 940534050 /nfs/dbraw/zinc/53/40/50/940534050.db2.gz MYNWYFZGDDPTJD-UHFFFAOYSA-N 0 0 419.441 4.326 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)c1 ZINC000545034455 940535467 /nfs/dbraw/zinc/53/54/67/940535467.db2.gz CLAKEGMMZNCMCG-UHFFFAOYSA-N 0 0 415.125 4.488 20 5 HIBDRN C[C@@H](Cc1noc(-c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000545047666 940536831 /nfs/dbraw/zinc/53/68/31/940536831.db2.gz ZEXVWXYFWBJKFT-ZDUSSCGKSA-N 0 0 422.470 4.271 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3cccc(OCC(F)(F)F)n3)no2)cc1 ZINC000545054983 940537646 /nfs/dbraw/zinc/53/76/46/940537646.db2.gz MLBAWSKMJDMIQA-UHFFFAOYSA-N 0 0 416.262 4.121 20 5 HIBDRN O=C1CCc2cc(-c3noc(-c4csc(-c5cccc([N+](=O)[O-])c5)n4)n3)ccc2N1 ZINC000545057781 940538030 /nfs/dbraw/zinc/53/80/30/940538030.db2.gz PDZWSRDCMPDBFT-UHFFFAOYSA-N 0 0 419.422 4.320 20 5 HIBDRN CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000545074632 940539518 /nfs/dbraw/zinc/53/95/18/940539518.db2.gz 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CC(C)OC[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCO1 ZINC000545322594 940561897 /nfs/dbraw/zinc/56/18/97/940561897.db2.gz CJSWXHAANKQZOV-LJQANCHMSA-N 0 0 404.438 4.152 20 5 HIBDRN CC(=O)c1ccc(NCc2cn3cc(Br)cc(C)c3n2)c([N+](=O)[O-])c1 ZINC000545348148 940563732 /nfs/dbraw/zinc/56/37/32/940563732.db2.gz RMPQOMDDVBMGKG-UHFFFAOYSA-N 0 0 403.236 4.128 20 5 HIBDRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000545372795 940566457 /nfs/dbraw/zinc/56/64/57/940566457.db2.gz OZFHPMLUADPHQQ-STQMWFEESA-N 0 0 420.849 4.006 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000545400449 940568457 /nfs/dbraw/zinc/56/84/57/940568457.db2.gz WVCJRPIZVDIZEI-UHFFFAOYSA-N 0 0 411.277 4.102 20 5 HIBDRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000545429095 940569349 /nfs/dbraw/zinc/56/93/49/940569349.db2.gz UNSHHJOSMHKDLU-INIZCTEOSA-N 0 0 413.474 4.389 20 5 HIBDRN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cn2)c2c[nH]c3ccccc32)c1OC 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FXVRGTCEJQZFSQ-UHFFFAOYSA-N 0 0 401.220 4.069 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]nc(-c3nc(Cc4nc5cc(Cl)ccc5s4)no3)c2c1 ZINC000545593156 940576356 /nfs/dbraw/zinc/57/63/56/940576356.db2.gz LDULVJBQAZPGRC-UHFFFAOYSA-N 0 0 412.818 4.375 20 5 HIBDRN O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccccc4OC(F)(F)F)no3)n2)cc1 ZINC000545605138 940576904 /nfs/dbraw/zinc/57/69/04/940576904.db2.gz FEFNLSPHAKNWCY-UHFFFAOYSA-N 0 0 417.303 4.396 20 5 HIBDRN NC(=O)c1ccc(-c2noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 ZINC000545617937 940577508 /nfs/dbraw/zinc/57/75/08/940577508.db2.gz RIUUUYQZLJOCHV-UHFFFAOYSA-N 0 0 401.382 4.154 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3cccnc3N3CCCCC3)no2)cc1 ZINC000545622870 940577760 /nfs/dbraw/zinc/57/77/60/940577760.db2.gz NKSXHYLACOSZQL-UHFFFAOYSA-N 0 0 401.373 4.170 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCc1nc(Cc2ccc(F)c(Br)c2)no1 ZINC000545668096 940579753 /nfs/dbraw/zinc/57/97/53/940579753.db2.gz ASWJGYCCXLNNLH-UHFFFAOYSA-N 0 0 408.183 4.049 20 5 HIBDRN Cc1cc(C)n(-c2ccc(Cc3nc(CCNc4ccccc4[N+](=O)[O-])no3)cc2)n1 ZINC000545670709 940579918 /nfs/dbraw/zinc/57/99/18/940579918.db2.gz PCFBRQLBDDKHEY-UHFFFAOYSA-N 0 0 418.457 4.026 20 5 HIBDRN CC(C)Oc1cc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)ccn1 ZINC000545674254 940579985 /nfs/dbraw/zinc/57/99/85/940579985.db2.gz FRDYNMLFGCGPNE-UHFFFAOYSA-N 0 0 404.810 4.102 20 5 HIBDRN COc1ccc(Cc2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)cc1OC(F)F ZINC000545676597 940580155 /nfs/dbraw/zinc/58/01/55/940580155.db2.gz YXSYUYRTKYCAHJ-UITAMQMPSA-N 0 0 403.341 4.349 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(CCSCc2nc3ccccc3c(=O)[nH]2)n1 ZINC000545697266 940581293 /nfs/dbraw/zinc/58/12/93/940581293.db2.gz UBUQQKDGSPUTNJ-UHFFFAOYSA-N 0 0 423.454 4.078 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3nc([C@H]4OCCc5ccccc54)no3)cs2)cc1 ZINC000545709523 940581786 /nfs/dbraw/zinc/58/17/86/940581786.db2.gz SLNXXAYDSICQCU-KRWDZBQOSA-N 0 0 406.423 4.430 20 5 HIBDRN Cc1c(Br)cc(-c2nc([C@@H]3OCCc4ccccc43)no2)cc1[N+](=O)[O-] ZINC000545721982 940582351 /nfs/dbraw/zinc/58/23/51/940582351.db2.gz JAZNKSZYNYBIPV-MRXNPFEDSA-N 0 0 416.231 4.378 20 5 HIBDRN COc1c(-c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)cnc2ccccc21 ZINC000545735063 940582898 /nfs/dbraw/zinc/58/28/98/940582898.db2.gz ZCWBSDUMJUYPOT-UHFFFAOYSA-N 0 0 403.398 4.443 20 5 HIBDRN Cc1cc(-c2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)ccc1[N+](=O)[O-] ZINC000545755893 940584061 /nfs/dbraw/zinc/58/40/61/940584061.db2.gz GBUDHZIHPWTORD-UHFFFAOYSA-N 0 0 416.319 4.220 20 5 HIBDRN CC(C)OCCCc1noc(-c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000545765079 940584608 /nfs/dbraw/zinc/58/46/08/940584608.db2.gz YMOOEKUQOGCSCO-IYBDPMFKSA-N 0 0 402.495 4.485 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(CN(Cc3ccccc3)Cc3ccccc3)n2)nc1 ZINC000545775278 940584978 /nfs/dbraw/zinc/58/49/78/940584978.db2.gz FIAWYAMKTMNYRL-UHFFFAOYSA-N 0 0 415.453 4.166 20 5 HIBDRN CCCN(CC)C(=O)c1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)cc1 ZINC000545780230 940588223 /nfs/dbraw/zinc/58/82/23/940588223.db2.gz ABJPAPAAYWOTNQ-UHFFFAOYSA-N 0 0 424.457 4.116 20 5 HIBDRN COc1ccc(-c2nc(C)c(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)s2)cc1 ZINC000545781686 940589012 /nfs/dbraw/zinc/58/90/12/940589012.db2.gz RIPTXPLKKJMIMB-UHFFFAOYSA-N 0 0 409.427 4.071 20 5 HIBDRN Cc1oc(-c2ccco2)nc1Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000545782959 940590206 /nfs/dbraw/zinc/59/02/06/940590206.db2.gz PUKAKIDZYWXAOI-UHFFFAOYSA-N 0 0 405.370 4.197 20 5 HIBDRN CCOc1ccc(C(C)(C)c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1OCC ZINC000545785942 940592949 /nfs/dbraw/zinc/59/29/49/940592949.db2.gz JIYQFLOCPIFCPN-UHFFFAOYSA-N 0 0 412.446 4.087 20 5 HIBDRN CCOc1cn(-c2ccccc2)nc1-c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000545787345 940593614 /nfs/dbraw/zinc/59/36/14/940593614.db2.gz XQWQDVFBYACBIV-UHFFFAOYSA-N 0 0 405.414 4.128 20 5 HIBDRN COc1ccc(-c2nc(Cc3ccc(Br)c(F)c3)no2)cc1[N+](=O)[O-] ZINC000545788135 940594321 /nfs/dbraw/zinc/59/43/21/940594321.db2.gz VKNXPOXOJBNJEJ-UHFFFAOYSA-N 0 0 408.183 4.146 20 5 HIBDRN O=C(Cc1ccccc1)N1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc21 ZINC000563975669 945333870 /nfs/dbraw/zinc/33/38/70/945333870.db2.gz WWGLYAUDZJXOKF-UHFFFAOYSA-N 0 0 407.451 4.040 20 5 HIBDRN C[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)c1ccc(OC(F)F)cc1 ZINC000545817019 940610881 /nfs/dbraw/zinc/61/08/81/940610881.db2.gz NTWJMNOUWGZZDM-SNVBAGLBSA-N 0 0 407.398 4.296 20 5 HIBDRN CC(=O)c1c(C)cc(C)c(CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)c1C ZINC000545818164 940612529 /nfs/dbraw/zinc/61/25/29/940612529.db2.gz XSGMWIPZMAMZJA-UHFFFAOYSA-N 0 0 411.483 4.262 20 5 HIBDRN CC(C)(C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000545828817 940618578 /nfs/dbraw/zinc/61/85/78/940618578.db2.gz DSCXVCFGYWTXFW-OXQOHEQNSA-N 0 0 400.450 4.296 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000545829914 940619726 /nfs/dbraw/zinc/61/97/26/940619726.db2.gz PJUOHHVQYKCUPM-BEFAXECRSA-N 0 0 404.413 4.187 20 5 HIBDRN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1nc(-c2cccc(F)c2)no1 ZINC000545832003 940620688 /nfs/dbraw/zinc/62/06/88/940620688.db2.gz JVJKJNKIKHQUKN-LLVKDONJSA-N 0 0 416.384 4.078 20 5 HIBDRN CCOc1ccc(C(=O)CCc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 ZINC000545852818 940635788 /nfs/dbraw/zinc/63/57/88/940635788.db2.gz ORDFZOJNJNMWAH-UHFFFAOYSA-N 0 0 420.425 4.264 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(Cc4coc(-c5cccs5)n4)n3)c2c1 ZINC000545852884 940636555 /nfs/dbraw/zinc/63/65/55/940636555.db2.gz ATWLSRUOJOJNDY-UHFFFAOYSA-N 0 0 407.411 4.357 20 5 HIBDRN COc1cccc(CO[C@@H](C)c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000545853696 940636701 /nfs/dbraw/zinc/63/67/01/940636701.db2.gz ITRWTFZUYSBOML-ZDUSSCGKSA-N 0 0 408.414 4.336 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000545906956 940656444 /nfs/dbraw/zinc/65/64/44/940656444.db2.gz XYAALNOVRIZXKL-ZWKOTPCHSA-N 0 0 404.507 4.134 20 5 HIBDRN CN([C@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545921837 940658373 /nfs/dbraw/zinc/65/83/73/940658373.db2.gz AFWGGRXVKQKACM-OAHLLOKOSA-N 0 0 422.812 4.313 20 5 HIBDRN Cc1cc(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000546036205 940678863 /nfs/dbraw/zinc/67/88/63/940678863.db2.gz INKBMFXBDUMVHP-UHFFFAOYSA-N 0 0 402.882 4.296 20 5 HIBDRN CCN(Cc1ccccc1Br)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000546057728 940684822 /nfs/dbraw/zinc/68/48/22/940684822.db2.gz DQNDACZDYQUZLN-UHFFFAOYSA-N 0 0 406.280 4.397 20 5 HIBDRN CCN1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000546091401 940698172 /nfs/dbraw/zinc/69/81/72/940698172.db2.gz YFMJWUNXXZCTNO-HNNXBMFYSA-N 0 0 404.470 4.012 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000546094269 940698462 /nfs/dbraw/zinc/69/84/62/940698462.db2.gz HYFUWIXZLJGRSN-FQEVSTJZSA-N 0 0 416.886 4.457 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)Cc2noc3ccccc32)cc1 ZINC000546173328 940721283 /nfs/dbraw/zinc/72/12/83/940721283.db2.gz QNJNLBUBETYHKQ-UHFFFAOYSA-N 0 0 423.450 4.273 20 5 HIBDRN Cc1cccc(NC(=O)N2CCC[C@H](c3nc(Cc4ccccc4[N+](=O)[O-])no3)C2)c1 ZINC000546238500 940741067 /nfs/dbraw/zinc/74/10/67/940741067.db2.gz BXIJAFHSTHFUQN-KRWDZBQOSA-N 0 0 421.457 4.289 20 5 HIBDRN COc1ccc(-c2nc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cs2)cc1OC ZINC000546258611 940751293 /nfs/dbraw/zinc/75/12/93/940751293.db2.gz VIAOAMHGMRAYJZ-UHFFFAOYSA-N 0 0 410.411 4.453 20 5 HIBDRN O=C(c1ccc(Cl)s1)N1CCC(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000546259228 940751382 /nfs/dbraw/zinc/75/13/82/940751382.db2.gz MDUHUWPLIKEEQF-UHFFFAOYSA-N 0 0 418.862 4.380 20 5 HIBDRN CN(Cc1nc(-c2cccc(NC(=O)C3CCC3)c2)no1)c1ccccc1[N+](=O)[O-] ZINC000546275753 940757548 /nfs/dbraw/zinc/75/75/48/940757548.db2.gz GBSZEQLONHVRAG-UHFFFAOYSA-N 0 0 407.430 4.020 20 5 HIBDRN CCn1c(SCc2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)nnc1-c1ccco1 ZINC000546279908 940760746 /nfs/dbraw/zinc/76/07/46/940760746.db2.gz PMYOSWHGKIHUCJ-UHFFFAOYSA-N 0 0 412.431 4.117 20 5 HIBDRN COc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)ccc1OC[C@@H]1CCCO1 ZINC000546282884 940762582 /nfs/dbraw/zinc/76/25/82/940762582.db2.gz OORXNEMPBOMATO-INIZCTEOSA-N 0 0 411.414 4.187 20 5 HIBDRN Cc1c(Cc2nc(Cc3ccc(OCc4cccnc4)cc3)no2)cccc1[N+](=O)[O-] ZINC000546327892 940786648 /nfs/dbraw/zinc/78/66/48/940786648.db2.gz FNUJYAAGKOYNGH-UHFFFAOYSA-N 0 0 416.437 4.442 20 5 HIBDRN CC(C)NC(=O)Nc1cccc(-c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)c1 ZINC000546340041 940793823 /nfs/dbraw/zinc/79/38/23/940793823.db2.gz FPSQGGYDWKVNPE-UHFFFAOYSA-N 0 0 415.837 4.419 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(C2CCN(c3nc4ccccc4o3)CC2)n1 ZINC000546395946 940809883 /nfs/dbraw/zinc/80/98/83/940809883.db2.gz LVLXIRRZMWRVEU-UHFFFAOYSA-N 0 0 405.414 4.478 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccnc(Oc3ccccc3Cl)c2)no1 ZINC000546409152 940812934 /nfs/dbraw/zinc/81/29/34/940812934.db2.gz SFBDOAKWNUFNGF-UHFFFAOYSA-N 0 0 412.793 4.039 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC000546410411 940813452 /nfs/dbraw/zinc/81/34/52/940813452.db2.gz BNMDQOZBADBYGX-AWEZNQCLSA-N 0 0 412.471 4.335 20 5 HIBDRN Cc1c(Br)cc(-c2nc(-c3ccc4nccnc4c3)no2)cc1[N+](=O)[O-] ZINC000546420558 940816075 /nfs/dbraw/zinc/81/60/75/940816075.db2.gz STCKGXQANAFJPN-UHFFFAOYSA-N 0 0 412.203 4.326 20 5 HIBDRN C[C@@H](C(=O)NCCc1cnc(SC2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1F ZINC000564018479 945351187 /nfs/dbraw/zinc/35/11/87/945351187.db2.gz KDGPBMJRZSWMJS-CYBMUJFWSA-N 0 0 418.494 4.021 20 5 HIBDRN Cc1ccc2oc(-c3nc(Cc4ccc([N+](=O)[O-])cc4Br)no3)cc2n1 ZINC000546450060 940823145 /nfs/dbraw/zinc/82/31/45/940823145.db2.gz WIFVOCLBYUJAJM-UHFFFAOYSA-N 0 0 415.203 4.448 20 5 HIBDRN CSc1ccc(-c2nc(-c3ccc(C)cc3N3CCOCC3)no2)cc1[N+](=O)[O-] ZINC000546465061 940827418 /nfs/dbraw/zinc/82/74/18/940827418.db2.gz QRTNYJMFPBVEIZ-UHFFFAOYSA-N 0 0 412.471 4.179 20 5 HIBDRN CC(=O)c1ccc(Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 ZINC000546468945 940828497 /nfs/dbraw/zinc/82/84/97/940828497.db2.gz FHGOSHRXHPRXHB-UHFFFAOYSA-N 0 0 416.231 4.125 20 5 HIBDRN COCCOCc1noc(-c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 ZINC000546480085 940831640 /nfs/dbraw/zinc/83/16/40/940831640.db2.gz WEJZQIFSTSYZAD-UHFFFAOYSA-N 0 0 401.444 4.267 20 5 HIBDRN Cc1cc(C)n(-c2ccc(-c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)cc2F)n1 ZINC000546486077 940833334 /nfs/dbraw/zinc/83/33/34/940833334.db2.gz RNBVXSLHDBXOLK-UHFFFAOYSA-N 0 0 407.405 4.486 20 5 HIBDRN Cc1c(Cc2noc(CCCc3nc(-c4cccs4)no3)n2)cccc1[N+](=O)[O-] ZINC000546487570 940833710 /nfs/dbraw/zinc/83/37/10/940833710.db2.gz ZSRILEDBZHWUDX-UHFFFAOYSA-N 0 0 411.443 4.164 20 5 HIBDRN O=[N+]([O-])c1cccc(Oc2ccc(-c3noc([C@H]4CCc5n[nH]cc5C4)n3)cc2)c1 ZINC000546487934 940833741 /nfs/dbraw/zinc/83/37/41/940833741.db2.gz FEVXMLXWJWPXIE-AWEZNQCLSA-N 0 0 403.398 4.433 20 5 HIBDRN COc1cc(Cc2noc(-c3ccn(-c4cccc(Cl)c4)n3)n2)ccc1[N+](=O)[O-] ZINC000546488293 940834257 /nfs/dbraw/zinc/83/42/57/940834257.db2.gz FSCAVLVRRHAMQG-UHFFFAOYSA-N 0 0 411.805 4.083 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3ccn(-c4ccc(Cl)cc4Cl)n3)n2)nc1 ZINC000546489565 940834602 /nfs/dbraw/zinc/83/46/02/940834602.db2.gz WQFKZRJYAHCHCA-UHFFFAOYSA-N 0 0 417.212 4.123 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(CCc3cc(Cl)ccc3Br)n2)nc1 ZINC000546491126 940834986 /nfs/dbraw/zinc/83/49/86/940834986.db2.gz ASCSKQLFSNUMNY-UHFFFAOYSA-N 0 0 423.654 4.165 20 5 HIBDRN O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3ccc(OC4CCOCC4)cc3)no2)c1 ZINC000546499220 940837218 /nfs/dbraw/zinc/83/72/18/940837218.db2.gz RFXPFGQOCUVJEG-UHFFFAOYSA-N 0 0 420.425 4.206 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2Cc3ccccc3CO2)cc1[N+](=O)[O-])c1ccccn1 ZINC000564023609 945353825 /nfs/dbraw/zinc/35/38/25/945353825.db2.gz LGCJSUSKLDLGOF-HNNXBMFYSA-N 0 0 404.426 4.251 20 5 HIBDRN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000546528085 940844487 /nfs/dbraw/zinc/84/44/87/940844487.db2.gz GSJRKLODESAGBP-UHFFFAOYSA-N 0 0 421.856 4.442 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000546529651 940845300 /nfs/dbraw/zinc/84/53/00/940845300.db2.gz MAVHVNSNNNPKNK-MSOLQXFVSA-N 0 0 424.831 4.450 20 5 HIBDRN CC(C)(C(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc([N+](=O)[O-])cc1F ZINC000546534556 940846533 /nfs/dbraw/zinc/84/65/33/940846533.db2.gz WSALOCFTNOXERC-UHFFFAOYSA-N 0 0 419.840 4.430 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000546537348 940847058 /nfs/dbraw/zinc/84/70/58/940847058.db2.gz JUZLYCFHSLBNGQ-YWZLYKJASA-N 0 0 400.450 4.309 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000546538702 940847267 /nfs/dbraw/zinc/84/72/67/940847267.db2.gz OCBDUVSCZLNPMF-UHFFFAOYSA-N 0 0 402.813 4.489 20 5 HIBDRN Cc1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccncc1 ZINC000546557751 940852297 /nfs/dbraw/zinc/85/22/97/940852297.db2.gz FUFHWCWJDFKHQF-UHFFFAOYSA-N 0 0 406.486 4.209 20 5 HIBDRN 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ZINC000546612164 940860997 /nfs/dbraw/zinc/86/09/97/940860997.db2.gz ORWOJJCBXVPZOW-UHFFFAOYSA-N 0 0 414.421 4.100 20 5 HIBDRN CC[C@@H](C)N(C(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@@H](C)CC ZINC000546642003 940864322 /nfs/dbraw/zinc/86/43/22/940864322.db2.gz GUNPMFFXUSOWAP-PHIMTYICSA-N 0 0 404.248 4.239 20 5 HIBDRN O=C1CCCC(=O)N1Cc1ccc(N[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000546654701 940865762 /nfs/dbraw/zinc/86/57/62/940865762.db2.gz XUCQMTOAIKQGLE-WIYYLYMNSA-N 0 0 421.497 4.457 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCc1nc(-c2cccs2)no1 ZINC000546666064 940867172 /nfs/dbraw/zinc/86/71/72/940867172.db2.gz DQYGLKIBVYCGPZ-UHFFFAOYSA-N 0 0 402.432 4.066 20 5 HIBDRN O=C(NCc1nc2ccccc2n1C1CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000546783469 940881971 /nfs/dbraw/zinc/88/19/71/940881971.db2.gz BHTOOQRCKSHASF-UHFFFAOYSA-N 0 0 404.348 4.228 20 5 HIBDRN C[C@@H](C(=O)NCCCCc1nc(-c2cccnc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000564031046 945357218 /nfs/dbraw/zinc/35/72/18/945357218.db2.gz 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OOCLWYHBZXGHOJ-SFHVURJKSA-N 0 0 408.296 4.140 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3C[C@]4(CCCO4)[C@@H]3C3CC3)c([N+](=O)[O-])c2)cc1 ZINC000549684605 941204445 /nfs/dbraw/zinc/20/44/45/941204445.db2.gz ZXELMOJCYASRFV-JTHBVZDNSA-N 0 0 407.470 4.303 20 5 HIBDRN CC(C)C1(C)CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)CC1 ZINC000549691627 941204774 /nfs/dbraw/zinc/20/47/74/941204774.db2.gz BZRILVQKMZGMMD-KRWDZBQOSA-N 0 0 413.522 4.152 20 5 HIBDRN CN(Cc1ccc(Br)o1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549740853 941206147 /nfs/dbraw/zinc/20/61/47/941206147.db2.gz HZPRMPMHZYKFOR-UHFFFAOYSA-N 0 0 407.142 4.241 20 5 HIBDRN COc1ccccc1COC[C@H](O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000549782755 941207342 /nfs/dbraw/zinc/20/73/42/941207342.db2.gz KFZWCBXNPZJJCL-KRWDZBQOSA-N 0 0 415.467 4.288 20 5 HIBDRN CC(C)COC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)CC1 ZINC000549819835 941208503 /nfs/dbraw/zinc/20/85/03/941208503.db2.gz UJKGEAMGHZGMSD-UHFFFAOYSA-N 0 0 401.511 4.151 20 5 HIBDRN CCn1nccc1C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)CC1 ZINC000549827775 941208780 /nfs/dbraw/zinc/20/87/80/941208780.db2.gz HQCKLNJLFISRSW-UHFFFAOYSA-N 0 0 423.521 4.110 20 5 HIBDRN CC(C)COC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)CC1 ZINC000549838791 941210640 /nfs/dbraw/zinc/21/06/40/941210640.db2.gz TYOOAJYRYGJVHS-UHFFFAOYSA-N 0 0 401.511 4.151 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CC2CCCCC2)n1C[C@H]1CCCO1 ZINC000549855597 941217059 /nfs/dbraw/zinc/21/70/59/941217059.db2.gz NHEORZLGQDPQLS-LJQANCHMSA-N 0 0 413.522 4.125 20 5 HIBDRN O=C(CNc1cccc(Br)c1Cl)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000549905337 941235020 /nfs/dbraw/zinc/23/50/20/941235020.db2.gz UTGYSYYZMXWVBZ-UHFFFAOYSA-N 0 0 410.655 4.012 20 5 HIBDRN CC(=O)c1ccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 ZINC000550175764 941293540 /nfs/dbraw/zinc/29/35/40/941293540.db2.gz LDXFUMYZFMQDJR-QGZVFWFLSA-N 0 0 413.451 4.345 20 5 HIBDRN CCOCc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 ZINC000550220334 941300599 /nfs/dbraw/zinc/30/05/99/941300599.db2.gz IQZHPBKGJAZKMV-UHFFFAOYSA-N 0 0 407.264 4.132 20 5 HIBDRN CN(c1ccccc1)c1ccc(CNCc2ncn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000550319918 941314224 /nfs/dbraw/zinc/31/42/24/941314224.db2.gz OVGQUFIGUSPVIO-UHFFFAOYSA-N 0 0 414.469 4.233 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000550322717 941314664 /nfs/dbraw/zinc/31/46/64/941314664.db2.gz OZWXPLPOPZAFLC-KPZWWZAWSA-N 0 0 419.275 4.130 20 5 HIBDRN Cc1cccnc1[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(C)C ZINC000550322317 941314740 /nfs/dbraw/zinc/31/47/40/941314740.db2.gz IVFNPQNXHCOTAB-INIZCTEOSA-N 0 0 406.280 4.496 20 5 HIBDRN COC(=O)c1cc(C(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000550491091 941332521 /nfs/dbraw/zinc/33/25/21/941332521.db2.gz LWIBIYYUIZNKAR-UHFFFAOYSA-N 0 0 410.348 4.065 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000550586682 941342954 /nfs/dbraw/zinc/34/29/54/941342954.db2.gz VZMUGIFGZPRQMJ-KDOFPFPSSA-N 0 0 414.483 4.210 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OC ZINC000550676467 941352642 /nfs/dbraw/zinc/35/26/42/941352642.db2.gz ZKNOKYMZVVBJTA-NSHDSACASA-N 0 0 423.263 4.174 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000550706603 941356555 /nfs/dbraw/zinc/35/65/55/941356555.db2.gz ADPIBBVWWLKETR-CYBMUJFWSA-N 0 0 416.275 4.295 20 5 HIBDRN CC(C)(C(=O)Nc1nnc(Cc2ccc(F)cc2)s1)c1ccccc1[N+](=O)[O-] ZINC000550809477 941369241 /nfs/dbraw/zinc/36/92/41/941369241.db2.gz VUCIPDLFJFCSAN-UHFFFAOYSA-N 0 0 400.435 4.093 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000551287359 941443813 /nfs/dbraw/zinc/44/38/13/941443813.db2.gz MGSZISFZXLWKIW-UHFFFAOYSA-N 0 0 410.171 4.393 20 5 HIBDRN C[C@@H]1CN(Cc2cccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000551325533 941452175 /nfs/dbraw/zinc/45/21/75/941452175.db2.gz GENPAXLARZCLRX-CALCHBBNSA-N 0 0 411.502 4.120 20 5 HIBDRN COc1ccc2c(CC(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)coc2c1 ZINC000551331997 941453553 /nfs/dbraw/zinc/45/35/53/941453553.db2.gz ICRHOFVTQJXPQY-UHFFFAOYSA-N 0 0 405.204 4.293 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3c2cccc3Cl)cc1[N+](=O)[O-] ZINC000551421795 941475893 /nfs/dbraw/zinc/47/58/93/941475893.db2.gz KBMCNBHTOMVGGU-QGZVFWFLSA-N 0 0 415.877 4.288 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCCc1ccc(Cl)s1 ZINC000551462142 941484268 /nfs/dbraw/zinc/48/42/68/941484268.db2.gz VUZXMAWGALNUAT-UHFFFAOYSA-N 0 0 409.895 4.004 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCc1nc(-c2cccc(OCc3ccccc3)n2)no1 ZINC000551472207 941486683 /nfs/dbraw/zinc/48/66/83/941486683.db2.gz PKLRKRPPIYEHJN-UHFFFAOYSA-N 0 0 403.398 4.231 20 5 HIBDRN CCS[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000551493819 941489684 /nfs/dbraw/zinc/48/96/84/941489684.db2.gz USZVZHKSDRHFED-HIFRSBDPSA-N 0 0 407.536 4.011 20 5 HIBDRN O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)NCc1cccc([N+](=O)[O-])c1 ZINC000551568893 941503302 /nfs/dbraw/zinc/50/33/02/941503302.db2.gz AMABHEWBJAALCG-UHFFFAOYSA-N 0 0 402.863 4.371 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000551605140 941510560 /nfs/dbraw/zinc/51/05/60/941510560.db2.gz URZVOYPZACYTRG-ZDUSSCGKSA-N 0 0 407.879 4.004 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC000551657673 941520213 /nfs/dbraw/zinc/52/02/13/941520213.db2.gz XOGFYMZXZSTPFU-VIFPVBQESA-N 0 0 409.211 4.233 20 5 HIBDRN C[C@@H]1Sc2ccc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)cc2NC1=O ZINC000551663812 941521518 /nfs/dbraw/zinc/52/15/18/941521518.db2.gz FJMCQSOBDRVJQR-QMMMGPOBSA-N 0 0 422.260 4.042 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)CNC(=O)c2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000551668241 941522399 /nfs/dbraw/zinc/52/23/99/941522399.db2.gz WPIHYWHJNSAGHJ-UHFFFAOYSA-N 0 0 407.829 4.053 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551672742 941524031 /nfs/dbraw/zinc/52/40/31/941524031.db2.gz CKCFGKYKZZXVIV-UHFFFAOYSA-N 0 0 403.429 4.151 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551675995 941524405 /nfs/dbraw/zinc/52/44/05/941524405.db2.gz UYWSVFIVLIRTHW-UHFFFAOYSA-N 0 0 417.874 4.457 20 5 HIBDRN CSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000551758178 941539798 /nfs/dbraw/zinc/53/97/98/941539798.db2.gz XDWZLMUDEYXFAJ-ZDUSSCGKSA-N 0 0 415.515 4.430 20 5 HIBDRN CSCc1cc(F)ccc1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552057829 941575433 /nfs/dbraw/zinc/57/54/33/941575433.db2.gz JEFWKJVGEZGUQK-LJQANCHMSA-N 0 0 400.479 4.210 20 5 HIBDRN COc1ccc(CN2C[C@H](CO)c3ccccc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552083939 941581650 /nfs/dbraw/zinc/58/16/50/941581650.db2.gz DTOFAOHMCADGOU-LJQANCHMSA-N 0 0 420.465 4.279 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1ccccc1OC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552224356 941607866 /nfs/dbraw/zinc/60/78/66/941607866.db2.gz UYJVUTOJBSTJPY-KRWDZBQOSA-N 0 0 406.364 4.106 20 5 HIBDRN COCCC[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000552243661 941612416 /nfs/dbraw/zinc/61/24/16/941612416.db2.gz HEDGBEZLXJEIEF-SFHVURJKSA-N 0 0 404.894 4.426 20 5 HIBDRN CO[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000552248656 941614129 /nfs/dbraw/zinc/61/41/29/941614129.db2.gz OBRDFEAWCWUUFA-RBUKOAKNSA-N 0 0 400.866 4.048 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ncc(-c2ccccc2)s1 ZINC000552281005 941621619 /nfs/dbraw/zinc/62/16/19/941621619.db2.gz AYRXGLKKKSUERN-UVTDQMKNSA-N 0 0 402.435 4.373 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nccn1-c1ccccc1 ZINC000552441401 941672560 /nfs/dbraw/zinc/67/25/60/941672560.db2.gz BOHBYJIKYNQBGA-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000552473729 941681159 /nfs/dbraw/zinc/68/11/59/941681159.db2.gz DRBVXSRWPMRSRA-GFCCVEGCSA-N 0 0 418.496 4.094 20 5 HIBDRN 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423.856 4.213 20 5 HIBDRN CSc1cccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1C ZINC000556555189 942897938 /nfs/dbraw/zinc/89/79/38/942897938.db2.gz MVIQYSKAJAXTKT-UHFFFAOYSA-N 0 0 401.488 4.500 20 5 HIBDRN Cn1ccnc1[C@@H](N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000556887745 942952451 /nfs/dbraw/zinc/95/24/51/942952451.db2.gz FLUJZMYBEIDRDA-ICSRJNTNSA-N 0 0 410.449 4.449 20 5 HIBDRN COc1ccccc1[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000556890710 942953152 /nfs/dbraw/zinc/95/31/52/942953152.db2.gz QQHUPLBMJZQZSL-FGZHOGPDSA-N 0 0 424.501 4.182 20 5 HIBDRN Cn1ccnc1[C@H](NC[C@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000556891238 942954613 /nfs/dbraw/zinc/95/46/13/942954613.db2.gz COWNQBBRSYRKMT-QZTJIDSGSA-N 0 0 404.392 4.353 20 5 HIBDRN Cc1c(NC(=O)C(=O)N2CCC[C@@H]2c2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000556902588 942958637 /nfs/dbraw/zinc/95/86/37/942958637.db2.gz UQIWPLYTJVUIKQ-OAQYLSRUSA-N 0 0 403.438 4.359 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)cc1[N+](=O)[O-] ZINC000556961978 942980538 /nfs/dbraw/zinc/98/05/38/942980538.db2.gz JJENJTXIDCFCTQ-UHFFFAOYSA-N 0 0 409.364 4.475 20 5 HIBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1nc2ccccc2[nH]1 ZINC000557057527 943007078 /nfs/dbraw/zinc/00/70/78/943007078.db2.gz FCDJYPFMJGEZKH-AWEZNQCLSA-N 0 0 417.263 4.423 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(Br)cc2C1 ZINC000557123874 943025598 /nfs/dbraw/zinc/02/55/98/943025598.db2.gz QHBVVDNJHLTJJC-UHFFFAOYSA-N 0 0 418.291 4.134 20 5 HIBDRN COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000557146888 943030748 /nfs/dbraw/zinc/03/07/48/943030748.db2.gz DGRTYCNDSHEXLY-OAHLLOKOSA-N 0 0 402.472 4.009 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC=C(c4ccccn4)C3)cc2[N+](=O)[O-])C1 ZINC000557152254 943033181 /nfs/dbraw/zinc/03/31/81/943033181.db2.gz TYKUBDCAXQZQNQ-QGZVFWFLSA-N 0 0 406.486 4.156 20 5 HIBDRN Cc1ncsc1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000557152028 943033308 /nfs/dbraw/zinc/03/33/08/943033308.db2.gz OZPIUHWHVBOTKY-SFHVURJKSA-N 0 0 416.890 4.483 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000557177871 943041541 /nfs/dbraw/zinc/04/15/41/943041541.db2.gz DDRKSVMBGXFTJS-KRWDZBQOSA-N 0 0 422.304 4.112 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC000557313423 943070179 /nfs/dbraw/zinc/07/01/79/943070179.db2.gz ALKVSMKQELZECG-SNVBAGLBSA-N 0 0 412.851 4.201 20 5 HIBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2ccc(Br)cc2)c1 ZINC000557361053 943087160 /nfs/dbraw/zinc/08/71/60/943087160.db2.gz LJRRCVQBWOXMNW-UHFFFAOYSA-N 0 0 401.220 4.010 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC(C)(C)[C@H]3c3cccnc3)cc2)c(C)c1[N+](=O)[O-] ZINC000557379557 943093786 /nfs/dbraw/zinc/09/37/86/943093786.db2.gz JRMIAVLJGGKIGB-OAQYLSRUSA-N 0 0 419.485 4.075 20 5 HIBDRN CCOc1ccc([C@@H](C)NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OCC ZINC000557448809 943132447 /nfs/dbraw/zinc/13/24/47/943132447.db2.gz OKOOSKAOQIBPNY-CQSZACIVSA-N 0 0 412.446 4.293 20 5 HIBDRN Cc1nn(CCC(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000557455039 943136549 /nfs/dbraw/zinc/13/65/49/943136549.db2.gz ZUVOOMMNLWUDLW-DLBZAZTESA-N 0 0 424.423 4.270 20 5 HIBDRN O=C(c1ccccc1F)N1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000557518763 943186023 /nfs/dbraw/zinc/18/60/23/943186023.db2.gz FVVCQFIMYSQZPA-UHFFFAOYSA-N 0 0 412.248 4.393 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000557521884 943187474 /nfs/dbraw/zinc/18/74/74/943187474.db2.gz RMONYFYMBCADPK-UHFFFAOYSA-N 0 0 403.232 4.389 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000557579487 943217915 /nfs/dbraw/zinc/21/79/15/943217915.db2.gz BGKHDQQNBUHCFA-SLBZEPJWSA-N 0 0 418.540 4.118 20 5 HIBDRN COc1ccc(CC(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1[N+](=O)[O-] ZINC000557631446 943239990 /nfs/dbraw/zinc/23/99/90/943239990.db2.gz ZKVWCKXUODRWEW-SFHVURJKSA-N 0 0 407.348 4.047 20 5 HIBDRN CC[C@H](CN(C)c1cccc(C(N)=O)c1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000557684104 943258399 /nfs/dbraw/zinc/25/83/99/943258399.db2.gz WOBYRQUXLSXOLN-LLVKDONJSA-N 0 0 412.273 4.294 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000557687736 943259210 /nfs/dbraw/zinc/25/92/10/943259210.db2.gz QNJSWWIEKIJOJF-OAHLLOKOSA-N 0 0 402.170 4.106 20 5 HIBDRN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000557725626 943270767 /nfs/dbraw/zinc/27/07/67/943270767.db2.gz OGFPKAOTXPZKQW-RBZFPXEDSA-N 0 0 422.441 4.218 20 5 HIBDRN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000557725629 943270950 /nfs/dbraw/zinc/27/09/50/943270950.db2.gz OGFPKAOTXPZKQW-ZUOKHONESA-N 0 0 422.441 4.218 20 5 HIBDRN O=C(Nc1nc2c(cccc2Br)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000557774222 943287819 /nfs/dbraw/zinc/28/78/19/943287819.db2.gz HGTRSKMPPMXSKU-UHFFFAOYSA-N 0 0 418.232 4.096 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000557829577 943305756 /nfs/dbraw/zinc/30/57/56/943305756.db2.gz BLGHBXJQCHNQMB-NVXWUHKLSA-N 0 0 407.392 4.354 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000557848598 943311852 /nfs/dbraw/zinc/31/18/52/943311852.db2.gz DSHGCNTUKICRLE-CYBMUJFWSA-N 0 0 416.421 4.006 20 5 HIBDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557869212 943316696 /nfs/dbraw/zinc/31/66/96/943316696.db2.gz SUAWABNDSVGRDE-KUHUBIRLSA-N 0 0 405.882 4.208 20 5 HIBDRN CC(C)(NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1[N+](=O)[O-] ZINC000557975007 943344626 /nfs/dbraw/zinc/34/46/26/943344626.db2.gz OMJYIJIPMRZSHO-UHFFFAOYSA-N 0 0 414.849 4.282 20 5 HIBDRN C[C@@H](C(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1ccc([N+](=O)[O-])cc1F ZINC000557979381 943345713 /nfs/dbraw/zinc/34/57/13/943345713.db2.gz JQNMRMYHZVBHDI-MRVPVSSYSA-N 0 0 406.282 4.451 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC(COc2ccccc2)C1 ZINC000557991702 943349020 /nfs/dbraw/zinc/34/90/20/943349020.db2.gz OJUFVARBJQOWQI-UHFFFAOYSA-N 0 0 418.449 4.325 20 5 HIBDRN Cc1ccc(Cc2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 ZINC000558296615 943489613 /nfs/dbraw/zinc/48/96/13/943489613.db2.gz SMIHBDCZIUPLIV-LJQANCHMSA-N 0 0 406.442 4.163 20 5 HIBDRN Cc1ccc(Cc2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)s1 ZINC000558393377 943545441 /nfs/dbraw/zinc/54/54/41/943545441.db2.gz NBCLAKDLMFXPLK-QGZVFWFLSA-N 0 0 412.471 4.224 20 5 HIBDRN CC(C)n1ccnc1SCc1cc(I)cc([N+](=O)[O-])c1 ZINC000558461371 943565911 /nfs/dbraw/zinc/56/59/11/943565911.db2.gz BBKNAYYYFLDDSD-UHFFFAOYSA-N 0 0 403.245 4.269 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000558470764 943568306 /nfs/dbraw/zinc/56/83/06/943568306.db2.gz SQSKHFDSNXTDSQ-UHFFFAOYSA-N 0 0 406.486 4.116 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000558532839 943590880 /nfs/dbraw/zinc/59/08/80/943590880.db2.gz WFULQGQZVGOSQX-UHFFFAOYSA-N 0 0 405.838 4.175 20 5 HIBDRN COCCC1(C)CN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000558577072 943606831 /nfs/dbraw/zinc/60/68/31/943606831.db2.gz INQWCHVLAXMWSK-UHFFFAOYSA-N 0 0 407.517 4.010 20 5 HIBDRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000558596774 943613496 /nfs/dbraw/zinc/61/34/96/943613496.db2.gz KZXNZKVWFNZSSY-PXAZEXFGSA-N 0 0 417.425 4.311 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000558600369 943614324 /nfs/dbraw/zinc/61/43/24/943614324.db2.gz XGZCNNLIBGLHFW-SFHVURJKSA-N 0 0 423.435 4.260 20 5 HIBDRN CC[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1OC(F)F ZINC000558606233 943615633 /nfs/dbraw/zinc/61/56/33/943615633.db2.gz AVGRYRCGRYAGDQ-MRXNPFEDSA-N 0 0 421.400 4.252 20 5 HIBDRN O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000558728385 943633893 /nfs/dbraw/zinc/63/38/93/943633893.db2.gz FSTSOOJHRQSMBX-UHFFFAOYSA-N 0 0 406.320 4.219 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000558733521 943634537 /nfs/dbraw/zinc/63/45/37/943634537.db2.gz HKUPLHPYOLWIBT-UHFFFAOYSA-N 0 0 412.324 4.138 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@](F)(c4cccc(Cl)c4)C3)n2)cc1 ZINC000558742576 943637418 /nfs/dbraw/zinc/63/74/18/943637418.db2.gz BISLNFUGADFFIV-IBGZPJMESA-N 0 0 402.813 4.369 20 5 HIBDRN COc1ccc(OC)c(CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C(C)(C)C)c1 ZINC000558788240 943663507 /nfs/dbraw/zinc/66/35/07/943663507.db2.gz IUQTVUIUWKGXBG-UHFFFAOYSA-N 0 0 402.447 4.062 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)c1 ZINC000558804961 943670928 /nfs/dbraw/zinc/67/09/28/943670928.db2.gz ZQPVBCAXWYSOAI-UHFFFAOYSA-N 0 0 408.414 4.482 20 5 HIBDRN Cc1c(NC(=O)NCCC2C[C@H](C)O[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000558816191 943676350 /nfs/dbraw/zinc/67/63/50/943676350.db2.gz PTXOISSBNIMWDX-QWRGUYRKSA-N 0 0 414.300 4.381 20 5 HIBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000558823608 943679745 /nfs/dbraw/zinc/67/97/45/943679745.db2.gz QFDKHDVZMNJCAT-KRWDZBQOSA-N 0 0 400.303 4.464 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2ccc(OC)cc2)CC1 ZINC000558877063 943714445 /nfs/dbraw/zinc/71/44/45/943714445.db2.gz QFAPEDSKAYQFJT-UHFFFAOYSA-N 0 0 407.474 4.266 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC000558903450 943737587 /nfs/dbraw/zinc/73/75/87/943737587.db2.gz JECRNFCSJDLQDU-UHFFFAOYSA-N 0 0 408.458 4.335 20 5 HIBDRN CCC(=O)c1ccc(N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c([N+](=O)[O-])c1 ZINC000558952969 943770000 /nfs/dbraw/zinc/77/00/00/943770000.db2.gz GWAYSUVUYGPOOQ-LIRRHRJNSA-N 0 0 413.449 4.491 20 5 HIBDRN CCCCNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000559048467 943815648 /nfs/dbraw/zinc/81/56/48/943815648.db2.gz CIKGFRQJHRAXHZ-UHFFFAOYSA-N 0 0 423.391 4.074 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(C)C)CC1 ZINC000559054627 943816962 /nfs/dbraw/zinc/81/69/62/943816962.db2.gz SZSULXNYCHEOOR-UHFFFAOYSA-N 0 0 401.511 4.152 20 5 HIBDRN CC[C@@H](C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CC(C)C ZINC000559077788 943828192 /nfs/dbraw/zinc/82/81/92/943828192.db2.gz XJAOYXRVKHUVSU-MRXNPFEDSA-N 0 0 401.511 4.404 20 5 HIBDRN C[C@@H]1CC[C@]2(CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@H]3CCCO3)C2)C1 ZINC000559094131 943835764 /nfs/dbraw/zinc/83/57/64/943835764.db2.gz DLTZSJPYPGPLNW-PERKRYKHSA-N 0 0 411.506 4.049 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000559314763 943894976 /nfs/dbraw/zinc/89/49/76/943894976.db2.gz WYGVBFSHZRJUBF-APPDUMDISA-N 0 0 414.384 4.138 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccc2ccccc2n1 ZINC000559519792 943993530 /nfs/dbraw/zinc/99/35/30/943993530.db2.gz XRHWCHZEJJHURJ-UHFFFAOYSA-N 0 0 400.232 4.144 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000559563841 944005766 /nfs/dbraw/zinc/00/57/66/944005766.db2.gz WDEBBDXXRIAOPV-XIKOKIGWSA-N 0 0 419.275 4.268 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1C(=O)NC(C)C ZINC000559668695 944027387 /nfs/dbraw/zinc/02/73/87/944027387.db2.gz JEPLWQGIKGUUTI-UHFFFAOYSA-N 0 0 409.364 4.313 20 5 HIBDRN COc1cc(OCc2nc(-c3cc(Br)ccc3F)no2)ccc1[N+](=O)[O-] ZINC000560003832 944125617 /nfs/dbraw/zinc/12/56/17/944125617.db2.gz HRKZZKSYLNSYDA-UHFFFAOYSA-N 0 0 424.182 4.134 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000560064410 944146828 /nfs/dbraw/zinc/14/68/28/944146828.db2.gz DXMBLEZQQNYJMK-UHFFFAOYSA-N 0 0 419.437 4.402 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000560090065 944155519 /nfs/dbraw/zinc/15/55/19/944155519.db2.gz LQXVTWBRHXQSKE-QGZVFWFLSA-N 0 0 419.279 4.011 20 5 HIBDRN CN(C(=O)COc1ccsc1Cl)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000560091858 944156546 /nfs/dbraw/zinc/15/65/46/944156546.db2.gz VOMSAQPMACKDTC-UHFFFAOYSA-N 0 0 409.876 4.475 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ncc2c(n1)CCC(C)(C)C2 ZINC000560100126 944158957 /nfs/dbraw/zinc/15/89/57/944158957.db2.gz HZWDGJIJYYGAPG-UHFFFAOYSA-N 0 0 419.279 4.223 20 5 HIBDRN CCOC(=O)c1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c(F)cc1C ZINC000560143264 944177443 /nfs/dbraw/zinc/17/74/43/944177443.db2.gz VCCSFACAPSJJHB-UHFFFAOYSA-N 0 0 406.385 4.274 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccsc21 ZINC000560185675 944190554 /nfs/dbraw/zinc/19/05/54/944190554.db2.gz XHJJPIOYNVIHRC-UHFFFAOYSA-N 0 0 420.244 4.149 20 5 HIBDRN CO[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000560528436 944242492 /nfs/dbraw/zinc/24/24/92/944242492.db2.gz FXNJZOSAIHZPFD-RTBURBONSA-N 0 0 400.866 4.048 20 5 HIBDRN Cn1ccnc1[C@@H](N[C@H](c1nccs1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560529978 944243399 /nfs/dbraw/zinc/24/33/99/944243399.db2.gz NVRYSTQXQZYNLQ-OALUTQOASA-N 0 0 405.483 4.253 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@H]2c2nc(C)no2)cc1OC ZINC000560538725 944246817 /nfs/dbraw/zinc/24/68/17/944246817.db2.gz NWRVCNAAOWXSCI-YOEHRIQHSA-N 0 0 418.494 4.447 20 5 HIBDRN Cn1ccnc1[C@@H](NCC(C)(C)Oc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000560574531 944259774 /nfs/dbraw/zinc/25/97/74/944259774.db2.gz SEHNDMUZUVJVRS-IBGZPJMESA-N 0 0 416.428 4.143 20 5 HIBDRN Cn1cc(CN2C[C@@H]3CCCCN3c3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000560618724 944276611 /nfs/dbraw/zinc/27/66/11/944276611.db2.gz GRDYGWCMDQZGBZ-FQEVSTJZSA-N 0 0 403.486 4.374 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1(c2ccccc2)CCOCC1 ZINC000560795970 944334593 /nfs/dbraw/zinc/33/45/93/944334593.db2.gz FJWBREVPKYYZOE-UHFFFAOYSA-N 0 0 405.248 4.044 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CC(C)(C)[C@@H]3c3cccnc3)cc2[N+](=O)[O-])C1 ZINC000561010919 944395617 /nfs/dbraw/zinc/39/56/17/944395617.db2.gz LRIPPIYYFBJQHU-KKSFZXQISA-N 0 0 408.502 4.449 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H]2CCCOC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000561072241 944429142 /nfs/dbraw/zinc/42/91/42/944429142.db2.gz LXHYUPGGPDLZFB-OAHLLOKOSA-N 0 0 420.849 4.300 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCSC1 ZINC000561074661 944429167 /nfs/dbraw/zinc/42/91/67/944429167.db2.gz CXASQNYWGDOEND-GOSISDBHSA-N 0 0 422.510 4.002 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000561090712 944443084 /nfs/dbraw/zinc/44/30/84/944443084.db2.gz CMLGRRZVPLSDQV-UHFFFAOYSA-N 0 0 414.425 4.107 20 5 HIBDRN NC(=O)c1cccc(NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000561264906 944533529 /nfs/dbraw/zinc/53/35/29/944533529.db2.gz CCIADDCXMQGKGT-UHFFFAOYSA-N 0 0 423.300 4.077 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1noc(-c2ccccc2)n1 ZINC000561300593 944543767 /nfs/dbraw/zinc/54/37/67/944543767.db2.gz SCFDJHPJIIKFNC-SNVBAGLBSA-N 0 0 406.320 4.155 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1noc(-c2ccccc2)n1 ZINC000561300590 944543935 /nfs/dbraw/zinc/54/39/35/944543935.db2.gz SCFDJHPJIIKFNC-JTQLQIEISA-N 0 0 406.320 4.155 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCc2ccc(Br)cc2C1 ZINC000561321725 944550094 /nfs/dbraw/zinc/55/00/94/944550094.db2.gz VWFADITYPDEQOH-UHFFFAOYSA-N 0 0 413.069 4.078 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCC(F)(F)c1ccc(Cl)cc1 ZINC000561337025 944556046 /nfs/dbraw/zinc/55/60/46/944556046.db2.gz ZNLALKBFGHAVSJ-UHFFFAOYSA-N 0 0 421.787 4.083 20 5 HIBDRN CS(=O)(=O)c1ccc(NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000561338777 944556332 /nfs/dbraw/zinc/55/63/32/944556332.db2.gz SPWDTHGETPEFGR-LJQANCHMSA-N 0 0 424.906 4.232 20 5 HIBDRN O=C(NC1CC1)c1ccc(NCc2ccncc2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000561341533 944557180 /nfs/dbraw/zinc/55/71/80/944557180.db2.gz VXZYTBPNMYQCEL-UHFFFAOYSA-N 0 0 418.453 4.073 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000561488523 944630484 /nfs/dbraw/zinc/63/04/84/944630484.db2.gz NXQYYTIVOIMPII-SFHVURJKSA-N 0 0 407.239 4.377 20 5 HIBDRN O=C(COc1c(Cl)cccc1Cl)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000561543410 944664557 /nfs/dbraw/zinc/66/45/57/944664557.db2.gz USPBYZHBGDIGIH-UHFFFAOYSA-N 0 0 407.213 4.105 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000561578866 944684544 /nfs/dbraw/zinc/68/45/44/944684544.db2.gz YACONOXXRKXLEZ-CQSZACIVSA-N 0 0 410.257 4.219 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1 ZINC000561592685 944693766 /nfs/dbraw/zinc/69/37/66/944693766.db2.gz PVTFPWOCRLIONG-CQSZACIVSA-N 0 0 403.479 4.243 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccncc2OCCC(C)(C)C)c1 ZINC000561625029 944713932 /nfs/dbraw/zinc/71/39/32/944713932.db2.gz YYVSUOLVHZCMRK-UHFFFAOYSA-N 0 0 403.504 4.457 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nccn1-c1ccccc1 ZINC000561643264 944723201 /nfs/dbraw/zinc/72/32/01/944723201.db2.gz HOEBVXVSDIOURV-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN CC(=O)N(c1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)[C@@H]1C[C@H]1C ZINC000561647564 944725845 /nfs/dbraw/zinc/72/58/45/944725845.db2.gz CRERIJFXVPCLGG-LRTDBIEQSA-N 0 0 406.442 4.019 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3C)s2)c1[N+](=O)[O-] ZINC000561708862 944756710 /nfs/dbraw/zinc/75/67/10/944756710.db2.gz JWSWTCABCQABHH-UHFFFAOYSA-N 0 0 405.867 4.142 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1OC ZINC000561710795 944758050 /nfs/dbraw/zinc/75/80/50/944758050.db2.gz SAEXQHVJCHMJLV-QWHCGFSZSA-N 0 0 422.865 4.219 20 5 HIBDRN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1Br ZINC000561810252 944805925 /nfs/dbraw/zinc/80/59/25/944805925.db2.gz GKXXENARTCJWNS-UHFFFAOYSA-N 0 0 417.263 4.429 20 5 HIBDRN O=C(Cc1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1)Nc1ccc(Cl)cc1 ZINC000561840978 944818256 /nfs/dbraw/zinc/81/82/56/944818256.db2.gz RMKZFHOJWATHQA-UHFFFAOYSA-N 0 0 407.213 4.057 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000561955964 944874282 /nfs/dbraw/zinc/87/42/82/944874282.db2.gz CFOFBSWBVXOVQO-UHFFFAOYSA-N 0 0 410.449 4.342 20 5 HIBDRN CC(C)(C)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000562067870 944920747 /nfs/dbraw/zinc/92/07/47/944920747.db2.gz WOUDFHKRTNDDRO-UHFFFAOYSA-N 0 0 404.248 4.002 20 5 HIBDRN CC(C)(C)Oc1c(F)cc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC000562089968 944934287 /nfs/dbraw/zinc/93/42/87/944934287.db2.gz LIMVQIIHXVRRIB-UHFFFAOYSA-N 0 0 421.400 4.477 20 5 HIBDRN Cc1ccc(C)c(Oc2ccc(CNC(=O)CN(C)c3ccccc3[N+](=O)[O-])cn2)c1 ZINC000562284938 945052280 /nfs/dbraw/zinc/05/22/80/945052280.db2.gz BQRQRPOKHPSPBD-UHFFFAOYSA-N 0 0 420.469 4.152 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000564072177 945370376 /nfs/dbraw/zinc/37/03/76/945370376.db2.gz OHZLGJHJCUPYEM-QZTJIDSGSA-N 0 0 423.391 4.333 20 5 HIBDRN C[C@H]1Oc2ccccc2[C@@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000564123657 945388251 /nfs/dbraw/zinc/38/82/51/945388251.db2.gz KECVEXMOLXVYRS-BMLIUANNSA-N 0 0 412.389 4.344 20 5 HIBDRN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000564123668 945388473 /nfs/dbraw/zinc/38/84/73/945388473.db2.gz 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CCc1cc(N)nc(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1 ZINC000572570773 947951881 /nfs/dbraw/zinc/95/18/81/947951881.db2.gz DPOQDOYNVDDPQN-LJQANCHMSA-N 0 0 423.498 4.310 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2csc(-c3ccccc3C)n2)c(C)c([N+](=O)[O-])c1 ZINC000572625055 947959027 /nfs/dbraw/zinc/95/90/27/947959027.db2.gz MYTYKKDORQGQCD-UHFFFAOYSA-N 0 0 411.439 4.374 20 5 HIBDRN O=C(Nc1cccc(F)c1Cl)c1cc(I)cc([N+](=O)[O-])c1 ZINC000572799588 948013456 /nfs/dbraw/zinc/01/34/56/948013456.db2.gz QGGYTNXHCIHYRN-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN Cc1cc(C2CC2)nc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000572902374 948033703 /nfs/dbraw/zinc/03/37/03/948033703.db2.gz TZROSACKTDVOMC-CQSZACIVSA-N 0 0 418.457 4.391 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1 ZINC000572977853 948050840 /nfs/dbraw/zinc/05/08/40/948050840.db2.gz NAAJCSWJIFFPOA-UHFFFAOYSA-N 0 0 411.389 4.250 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-])c1ccccn1 ZINC000573029056 948063953 /nfs/dbraw/zinc/06/39/53/948063953.db2.gz VXMGQZVWDPHJOR-RVHYNSKXSA-N 0 0 424.501 4.193 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000573077546 948075593 /nfs/dbraw/zinc/07/55/93/948075593.db2.gz QMJNTALTUCSQTO-GJZGRUSLSA-N 0 0 417.347 4.141 20 5 HIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000573141357 948086571 /nfs/dbraw/zinc/08/65/71/948086571.db2.gz CMZVJVDWPUHBDY-MRXNPFEDSA-N 0 0 406.471 4.342 20 5 HIBDRN CCOC(=O)c1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)nc1 ZINC000573151839 948093295 /nfs/dbraw/zinc/09/32/95/948093295.db2.gz XEKWUGGSNAGOEP-UHFFFAOYSA-N 0 0 405.410 4.014 20 5 HIBDRN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000573174291 948103077 /nfs/dbraw/zinc/10/30/77/948103077.db2.gz QWNNERBZMXPLRU-IBGZPJMESA-N 0 0 401.850 4.304 20 5 HIBDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000573355419 948164577 /nfs/dbraw/zinc/16/45/77/948164577.db2.gz AKHBWCHACLZPPG-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN CC(C)OC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)CC1 ZINC000573388540 948176337 /nfs/dbraw/zinc/17/63/37/948176337.db2.gz OAFSBWLOETYVFV-UHFFFAOYSA-N 0 0 421.501 4.295 20 5 HIBDRN COCc1nc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c(-c2ccccc2)s1 ZINC000573404902 948189306 /nfs/dbraw/zinc/18/93/06/948189306.db2.gz SBYWNTZKGPXRJZ-UHFFFAOYSA-N 0 0 409.427 4.164 20 5 HIBDRN Cc1cc(N2CCCN3c4ccccc4C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573414759 948201059 /nfs/dbraw/zinc/20/10/59/948201059.db2.gz KTTQRHMUNOZCHY-HXUWFJFHSA-N 0 0 401.470 4.002 20 5 HIBDRN Cc1c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cnn1-c1ccc(Cl)cc1 ZINC000573485410 948216006 /nfs/dbraw/zinc/21/60/06/948216006.db2.gz XVTWVTAKYDUTFB-UHFFFAOYSA-N 0 0 406.776 4.202 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCc2c(OC(F)F)cccc21 ZINC000573714765 948280043 /nfs/dbraw/zinc/28/00/43/948280043.db2.gz AZEUQKDUSVYQIS-UHFFFAOYSA-N 0 0 401.369 4.199 20 5 HIBDRN Cc1ncc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)s1 ZINC000573745276 948287521 /nfs/dbraw/zinc/28/75/21/948287521.db2.gz MMOAUSRDFPDUKM-UHFFFAOYSA-N 0 0 420.498 4.303 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000573875831 948316937 /nfs/dbraw/zinc/31/69/37/948316937.db2.gz YSCNJVNECBBRAG-UHFFFAOYSA-N 0 0 408.505 4.093 20 5 HIBDRN Cc1nc(-c2ccc(C(=O)NCCc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)cs1 ZINC000573971121 948338261 /nfs/dbraw/zinc/33/82/61/948338261.db2.gz SJVNQIXFJWIUPN-UHFFFAOYSA-N 0 0 406.467 4.481 20 5 HIBDRN C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000573992569 948342694 /nfs/dbraw/zinc/34/26/94/948342694.db2.gz WHNWRBHFQFWYFD-RYUDHWBXSA-N 0 0 400.822 4.279 20 5 HIBDRN Cc1ccc(Cl)c2sc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)nc21 ZINC000573994197 948343280 /nfs/dbraw/zinc/34/32/80/948343280.db2.gz WJZXIEZKXRNLGV-UHFFFAOYSA-N 0 0 405.819 4.190 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC000574006723 948348063 /nfs/dbraw/zinc/34/80/63/948348063.db2.gz YOKRAXSVFFFOMV-UHFFFAOYSA-N 0 0 406.442 4.453 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccncc2OCCC(C)(C)C)c1 ZINC000574114122 948368175 /nfs/dbraw/zinc/36/81/75/948368175.db2.gz VAKVJCDVCPKBDP-UHFFFAOYSA-N 0 0 401.463 4.134 20 5 HIBDRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000574213012 948388662 /nfs/dbraw/zinc/38/86/62/948388662.db2.gz WHVRQPKFSYYADS-UHFFFAOYSA-N 0 0 412.450 4.198 20 5 HIBDRN C[C@](O)(C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1)C(F)(F)F ZINC000574253745 948399596 /nfs/dbraw/zinc/39/95/96/948399596.db2.gz ZYHFEDYRJNDKNB-SFHVURJKSA-N 0 0 413.371 4.326 20 5 HIBDRN C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000574387867 948431268 /nfs/dbraw/zinc/43/12/68/948431268.db2.gz QSOCSVRLJUGOEN-ZDUSSCGKSA-N 0 0 406.280 4.302 20 5 HIBDRN Cc1c(NC(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cccc1[N+](=O)[O-] ZINC000574601739 948488535 /nfs/dbraw/zinc/48/85/35/948488535.db2.gz HPTCEXYUGZGWKF-ZDUSSCGKSA-N 0 0 413.356 4.150 20 5 HIBDRN Cc1cccc(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1Br ZINC000574778166 948523656 /nfs/dbraw/zinc/52/36/56/948523656.db2.gz RZHFVDPWKKWMGI-SFHVURJKSA-N 0 0 415.291 4.278 20 5 HIBDRN O=C(NC1(c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)CCCC1)c1ccccc1 ZINC000574843147 948541664 /nfs/dbraw/zinc/54/16/64/948541664.db2.gz JHQXCBHKGKZTJZ-UHFFFAOYSA-N 0 0 417.425 4.325 20 5 HIBDRN CSc1cccc(-c2nc(-c3ccc(CN4CCCC4=O)cc3)no2)c1[N+](=O)[O-] ZINC000575051143 948581917 /nfs/dbraw/zinc/58/19/17/948581917.db2.gz GAAAUSOSFKTTFR-UHFFFAOYSA-N 0 0 410.455 4.156 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(C2CCCC2)n1C[C@@H]1CCCCO1 ZINC000575173852 948622210 /nfs/dbraw/zinc/62/22/10/948622210.db2.gz SOKWKUJYSONOJC-FQEVSTJZSA-N 0 0 413.522 4.092 20 5 HIBDRN O=[N+]([O-])c1ccccc1Cc1noc(C2(c3ccccc3Br)CC2)n1 ZINC000575525054 948674962 /nfs/dbraw/zinc/67/49/62/948674962.db2.gz GYKSBQILQDHGBM-UHFFFAOYSA-N 0 0 400.232 4.411 20 5 HIBDRN COc1ccc(C[C@](C)(O)CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1OC ZINC000575633523 948686307 /nfs/dbraw/zinc/68/63/07/948686307.db2.gz RCSWWQXINHVYPA-SFHVURJKSA-N 0 0 414.380 4.036 20 5 HIBDRN Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000575931564 948787416 /nfs/dbraw/zinc/78/74/16/948787416.db2.gz YBFAQXXDPHJXDJ-UHFFFAOYSA-N 0 0 419.363 4.336 20 5 HIBDRN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000575943927 948792208 /nfs/dbraw/zinc/79/22/08/948792208.db2.gz VZEYUDNMDPDMHI-NRFANRHFSA-N 0 0 423.513 4.356 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@H]4CCCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164420019 718905969 /nfs/dbraw/zinc/90/59/69/718905969.db2.gz FUZRKWRRODICFI-CXAGYDPISA-N 0 0 424.835 4.255 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4CCCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164420023 718906060 /nfs/dbraw/zinc/90/60/60/718906060.db2.gz FUZRKWRRODICFI-GUYCJALGSA-N 0 0 424.835 4.255 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3CCCO[C@@H]3C2)c(Cl)nn1 ZINC001164420001 718906813 /nfs/dbraw/zinc/90/68/13/718906813.db2.gz FNDGBCMLYPSATO-SJKOYZFVSA-N 0 0 424.835 4.255 20 5 HIBDRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)[C@H](C)CN1C ZINC001164634593 719257123 /nfs/dbraw/zinc/25/71/23/719257123.db2.gz NGRNHEQUVPNOMA-CHWSQXEVSA-N 0 0 410.852 4.384 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)nc1Cl ZINC001164795758 721505528 /nfs/dbraw/zinc/50/55/28/721505528.db2.gz MXQOEAYROFONHH-ACJLOTCBSA-N 0 0 424.835 4.269 20 5 HIBDRN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000435931548 861191425 /nfs/dbraw/zinc/19/14/25/861191425.db2.gz XEQXZEKHSVIIQG-CVEARBPZSA-N 0 0 414.220 4.163 20 5 HIBDRN O=C(NCc1nccc2ccccc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435936115 861197167 /nfs/dbraw/zinc/19/71/67/861197167.db2.gz LLXCOLOTTHWIGQ-UHFFFAOYSA-N 0 0 415.399 4.438 20 5 HIBDRN O=C(NCc1cn2cc(Cl)ccc2n1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435939450 861202795 /nfs/dbraw/zinc/20/27/95/861202795.db2.gz NVNPYPKFXOXUMY-UHFFFAOYSA-N 0 0 420.831 4.052 20 5 HIBDRN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435948849 861213120 /nfs/dbraw/zinc/21/31/20/861213120.db2.gz JRNWWQAKXWAEQA-UHFFFAOYSA-N 0 0 400.434 4.072 20 5 HIBDRN COc1cc(C(=O)N(C)c2nc3cc(Cl)ccc3s2)cc([N+](=O)[O-])c1OC ZINC000435975916 861241559 /nfs/dbraw/zinc/24/15/59/861241559.db2.gz UGCAUPFRIQHGBH-UHFFFAOYSA-N 0 0 407.835 4.152 20 5 HIBDRN COc1cccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000435990626 861266956 /nfs/dbraw/zinc/26/69/56/861266956.db2.gz BMVDNEUKPCZWKL-UHFFFAOYSA-N 0 0 400.822 4.312 20 5 HIBDRN CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000435993559 861273455 /nfs/dbraw/zinc/27/34/55/861273455.db2.gz JOEHFJMTPFUFJJ-OAHLLOKOSA-N 0 0 421.295 4.250 20 5 HIBDRN COc1cccc(C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c1[N+](=O)[O-] ZINC000436009527 861298715 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413.474 4.458 20 5 HIBDRN C[C@@H](CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000008308290 845511798 /nfs/dbraw/zinc/51/17/98/845511798.db2.gz XYBKKTQDBOPWKS-HNNXBMFYSA-N 0 0 421.419 4.456 20 5 HIBDRN C[C@H](Sc1nc2cc(Cl)cnc2[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008482790 845527589 /nfs/dbraw/zinc/52/75/89/845527589.db2.gz AKVXHYFJDUICQJ-QMMMGPOBSA-N 0 0 402.823 4.423 20 5 HIBDRN C[C@H](OC(=O)CCn1ccc2ccccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008529064 845533419 /nfs/dbraw/zinc/53/34/19/845533419.db2.gz YUUXYVPCDJYLAF-AWEZNQCLSA-N 0 0 406.398 4.294 20 5 HIBDRN COC(=O)c1cc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)cc([N+](=O)[O-])c1 ZINC000436270505 861579499 /nfs/dbraw/zinc/57/94/99/861579499.db2.gz BDYKADFNXCGLTR-FQEVSTJZSA-N 0 0 402.406 4.174 20 5 HIBDRN CCOc1ccc(NC(=O)CSc2nc3ccccc3n2CC)c([N+](=O)[O-])c1 ZINC000008807624 845550573 /nfs/dbraw/zinc/55/05/73/845550573.db2.gz DQTHASKSUARTDU-UHFFFAOYSA-N 0 0 400.460 4.094 20 5 HIBDRN 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ZINC000018347990 846321785 /nfs/dbraw/zinc/32/17/85/846321785.db2.gz OUWAWMOBFLYETA-LLVKDONJSA-N 0 0 407.806 4.084 20 5 HIBDRN COc1ccc2cc([C@H](C)C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc2c1 ZINC000018441747 846326743 /nfs/dbraw/zinc/32/67/43/846326743.db2.gz RAYUGXVAWJBNSP-AWEZNQCLSA-N 0 0 423.421 4.470 20 5 HIBDRN CCNc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000018663177 846335552 /nfs/dbraw/zinc/33/55/52/846335552.db2.gz MOUPVASJXNHNPS-SSDOTTSWSA-N 0 0 421.426 4.016 20 5 HIBDRN CC(C)CNc1nnc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000018664040 846336405 /nfs/dbraw/zinc/33/64/05/846336405.db2.gz ULPHTQXWVFABBP-SNVBAGLBSA-N 0 0 406.493 4.418 20 5 HIBDRN Cc1nc(-c2ccccc2)c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000018765188 846340634 /nfs/dbraw/zinc/34/06/34/846340634.db2.gz MWNZIERROMTOPB-UHFFFAOYSA-N 0 0 422.422 4.434 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1cccc(Br)c1 ZINC000019159605 846354770 /nfs/dbraw/zinc/35/47/70/846354770.db2.gz YLRGHGCEOIHBGI-UHFFFAOYSA-N 0 0 409.236 4.164 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1csc(-c2ccccc2OC)n1 ZINC000019284878 846361228 /nfs/dbraw/zinc/36/12/28/846361228.db2.gz YCBLCUSLYZWNPQ-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000019678818 846371451 /nfs/dbraw/zinc/37/14/51/846371451.db2.gz YYUAQIBFIZGLPB-INIZCTEOSA-N 0 0 406.486 4.208 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000020008989 846374990 /nfs/dbraw/zinc/37/49/90/846374990.db2.gz OPQYGNXYXWUXSW-UHFFFAOYSA-N 0 0 412.877 4.382 20 5 HIBDRN CCCOc1ccccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000020010653 846375471 /nfs/dbraw/zinc/37/54/71/846375471.db2.gz BJCOBDWPCJGUNK-UHFFFAOYSA-N 0 0 408.458 4.498 20 5 HIBDRN COC(=O)c1cc(C(=O)OCc2nc3ccccc3c3ccccc23)cc([N+](=O)[O-])c1 ZINC000020033174 846376464 /nfs/dbraw/zinc/37/64/64/846376464.db2.gz GRVWZQOCODWUKK-UHFFFAOYSA-N 0 0 416.389 4.440 20 5 HIBDRN Cc1ccc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c(-n2cc(Cl)cn2)n1 ZINC000436351060 861671075 /nfs/dbraw/zinc/67/10/75/861671075.db2.gz XLMGRGVUPIVSBK-UHFFFAOYSA-N 0 0 412.759 4.163 20 5 HIBDRN C[C@@H](OC(=O)/C=C/c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020751851 846388372 /nfs/dbraw/zinc/38/83/72/846388372.db2.gz GBWOSZAQDGWNQY-OALRPVAKSA-N 0 0 409.225 4.485 20 5 HIBDRN COC(=O)c1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000020791905 846389961 /nfs/dbraw/zinc/38/99/61/846389961.db2.gz CIZPBSAHBWAHDT-NRFANRHFSA-N 0 0 419.389 4.162 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000020836387 846391360 /nfs/dbraw/zinc/39/13/60/846391360.db2.gz NWZHYKIPOPSDDJ-UHFFFAOYSA-N 0 0 404.448 4.059 20 5 HIBDRN O=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1ccccc1[N+](=O)[O-] ZINC000020919003 846396359 /nfs/dbraw/zinc/39/63/59/846396359.db2.gz PFWIGLDNSQJFMP-UHFFFAOYSA-N 0 0 404.378 4.219 20 5 HIBDRN C[C@@H](Sc1ncnc2sc3c(c21)CCC3)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021682263 846482527 /nfs/dbraw/zinc/48/25/27/846482527.db2.gz DKUXIHFESVBWPX-SNVBAGLBSA-N 0 0 400.485 4.208 20 5 HIBDRN O=C(OCCO)c1c2ccccc2nc2c1CCC/C2=C\c1cccc([N+](=O)[O-])c1 ZINC000021712136 846486144 /nfs/dbraw/zinc/48/61/44/846486144.db2.gz SOCWJAZDAMBSIZ-DTQAZKPQSA-N 0 0 404.422 4.169 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)cc([N+](=O)[O-])c1 ZINC000021767856 846493605 /nfs/dbraw/zinc/49/36/05/846493605.db2.gz ATUVACGCVQWDDK-UHFFFAOYSA-N 0 0 403.441 4.127 20 5 HIBDRN O=C(COC(=O)CSc1ccccc1Cl)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000022001918 846518410 /nfs/dbraw/zinc/51/84/10/846518410.db2.gz XHWRRAMMYNLKCN-UHFFFAOYSA-N 0 0 415.254 4.176 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 ZINC000022080665 846528938 /nfs/dbraw/zinc/52/89/38/846528938.db2.gz SISOFHWUANVETK-VIFPVBQESA-N 0 0 412.623 4.439 20 5 HIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000022161449 846538672 /nfs/dbraw/zinc/53/86/72/846538672.db2.gz BPJRCMBIQOTPCI-LLVKDONJSA-N 0 0 408.863 4.463 20 5 HIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000022162453 846538790 /nfs/dbraw/zinc/53/87/90/846538790.db2.gz VPKINVCUTGGKKC-JSGCOSHPSA-N 0 0 420.512 4.287 20 5 HIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000022161622 846538846 /nfs/dbraw/zinc/53/88/46/846538846.db2.gz LBVKLEANGPHAPI-KBPBESRZSA-N 0 0 402.472 4.048 20 5 HIBDRN Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000022183998 846541942 /nfs/dbraw/zinc/54/19/42/846541942.db2.gz DREJOSYMVXKKEK-GFCCVEGCSA-N 0 0 421.247 4.158 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000022187748 846542956 /nfs/dbraw/zinc/54/29/56/846542956.db2.gz GNIXLRYYYNSJBR-MRXNPFEDSA-N 0 0 408.813 4.200 20 5 HIBDRN Cc1cc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000022207758 846545965 /nfs/dbraw/zinc/54/59/65/846545965.db2.gz QFAPKLDNHNPVML-ZDUSSCGKSA-N 0 0 418.471 4.115 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000022374140 846562397 /nfs/dbraw/zinc/56/23/97/846562397.db2.gz MVIMTVPVWVDCIA-UHFFFAOYSA-N 0 0 416.648 4.266 20 5 HIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@H]1c1cccs1 ZINC000022669520 846599785 /nfs/dbraw/zinc/59/97/85/846599785.db2.gz SPXHFGIKVMRVOP-ABAIWWIYSA-N 0 0 408.863 4.219 20 5 HIBDRN CCCc1cc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n[nH]1 ZINC000022830245 846626334 /nfs/dbraw/zinc/62/63/34/846626334.db2.gz CIGMJSZMHAEYHC-FQEVSTJZSA-N 0 0 422.441 4.116 20 5 HIBDRN COc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000022890087 846633013 /nfs/dbraw/zinc/63/30/13/846633013.db2.gz YJCYIVCGXABVJO-CQSZACIVSA-N 0 0 408.410 4.249 20 5 HIBDRN COc1cc(C(=O)NCC2(c3cccs3)CCCCC2)c([N+](=O)[O-])cc1OC ZINC000023237282 846674033 /nfs/dbraw/zinc/67/40/33/846674033.db2.gz DKOPDNCQSAJRFD-UHFFFAOYSA-N 0 0 404.488 4.305 20 5 HIBDRN Cc1ccc(C(C)C)c(OCC(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000023254523 846676836 /nfs/dbraw/zinc/67/68/36/846676836.db2.gz LSHNBRPIPHGDMQ-INIZCTEOSA-N 0 0 414.458 4.284 20 5 HIBDRN O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)NCCc1ccc(F)cc1 ZINC000023380520 846691527 /nfs/dbraw/zinc/69/15/27/846691527.db2.gz QXVOJNLCYFAGAA-UHFFFAOYSA-N 0 0 408.433 4.248 20 5 HIBDRN Cc1c(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000023523877 846715709 /nfs/dbraw/zinc/71/57/09/846715709.db2.gz ZWADPBCLBBVOLJ-JTQLQIEISA-N 0 0 408.208 4.065 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(Nc3cccc(Br)c3)s2)nc1 ZINC000023614902 846729960 /nfs/dbraw/zinc/72/99/60/846729960.db2.gz JPVMIHPPNLDSOL-UHFFFAOYSA-N 0 0 410.278 4.499 20 5 HIBDRN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)n1C(C)C ZINC000023641148 846734767 /nfs/dbraw/zinc/73/47/67/846734767.db2.gz ATEVMYZWIPFWDN-ZDUSSCGKSA-N 0 0 407.854 4.431 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000436374020 861714313 /nfs/dbraw/zinc/71/43/13/861714313.db2.gz XVABGBFOWJDCPU-SNVBAGLBSA-N 0 0 422.285 4.080 20 5 HIBDRN C[C@@H](Cc1nnc(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1)c1ccccc1 ZINC000023964928 846764145 /nfs/dbraw/zinc/76/41/45/846764145.db2.gz AUZPVFIUSMLMSP-AWEZNQCLSA-N 0 0 424.482 4.005 20 5 HIBDRN COc1cc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000024077025 846784677 /nfs/dbraw/zinc/78/46/77/846784677.db2.gz GEPAEEWYPPQJMV-LLVKDONJSA-N 0 0 412.414 4.002 20 5 HIBDRN C[C@H](NC(=O)COC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000024234016 846804549 /nfs/dbraw/zinc/80/45/49/846804549.db2.gz JIJNQNRYASZSLC-HNNXBMFYSA-N 0 0 424.478 4.261 20 5 HIBDRN COc1ccccc1-c1noc(C2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)n1 ZINC000436380432 861721686 /nfs/dbraw/zinc/72/16/86/861721686.db2.gz YIGWGGOGOCHRSI-UHFFFAOYSA-N 0 0 421.457 4.005 20 5 HIBDRN CN(Cc1cnn(C)c1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000024473305 846829325 /nfs/dbraw/zinc/82/93/25/846829325.db2.gz KPBDDMXTJJCCSH-UHFFFAOYSA-N 0 0 400.822 4.046 20 5 HIBDRN Cc1ccc(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000024733389 846859660 /nfs/dbraw/zinc/85/96/60/846859660.db2.gz XZAVWFPPOSCHPH-MRXNPFEDSA-N 0 0 411.439 4.314 20 5 HIBDRN CCn1c(=O)c2cc3ccccc3cc2nc1SCc1csc(NC(C)=O)n1 ZINC000024892091 846883884 /nfs/dbraw/zinc/88/38/84/846883884.db2.gz FSWDETZUDSSPJH-UHFFFAOYSA-N 0 0 410.524 4.277 20 5 HIBDRN O=C(CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1cc(Cl)ccc1Cl ZINC000024897066 846884167 /nfs/dbraw/zinc/88/41/67/846884167.db2.gz CSGAHKXHEXNZES-UHFFFAOYSA-N 0 0 423.300 4.052 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000024933197 846891839 /nfs/dbraw/zinc/89/18/39/846891839.db2.gz YBBHLBUMFREMCQ-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN C[C@H](Sc1nncn1-c1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000024975633 846898698 /nfs/dbraw/zinc/89/86/98/846898698.db2.gz LVOGOGHDXPIOKS-JTQLQIEISA-N 0 0 421.841 4.087 20 5 HIBDRN CSc1cccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000024997471 846901745 /nfs/dbraw/zinc/90/17/45/846901745.db2.gz BLCVSVICJGLRIZ-QWHCGFSZSA-N 0 0 420.512 4.368 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000025173804 846936519 /nfs/dbraw/zinc/93/65/19/846936519.db2.gz BPJSAVIXIIOZSL-QFIPXVFZSA-N 0 0 418.497 4.304 20 5 HIBDRN CCCc1cc(=O)oc2cc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc12 ZINC000025320183 846959001 /nfs/dbraw/zinc/95/90/01/846959001.db2.gz RPYVVMKHOBCXOW-UHFFFAOYSA-N 0 0 416.817 4.325 20 5 HIBDRN O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N[C@H](c1ccccc1)C1CC1 ZINC000025374614 846970439 /nfs/dbraw/zinc/97/04/39/846970439.db2.gz ZDZZBORMOPUANY-HXUWFJFHSA-N 0 0 410.451 4.234 20 5 HIBDRN Cc1ccccc1CCNC(=O)[C@@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000025374972 846970532 /nfs/dbraw/zinc/97/05/32/846970532.db2.gz RZGRSBPTVKFGGR-CQSZACIVSA-N 0 0 412.467 4.022 20 5 HIBDRN COc1ccc(OC)c(CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C2CC2)c1 ZINC000025805915 847039861 /nfs/dbraw/zinc/03/98/61/847039861.db2.gz AVTNIJOVLPDKHV-UHFFFAOYSA-N 0 0 402.472 4.139 20 5 HIBDRN CC(=O)N(c1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1)C1CC1 ZINC000026142089 847095126 /nfs/dbraw/zinc/09/51/26/847095126.db2.gz NNECLDLDZNHMJE-UHFFFAOYSA-N 0 0 404.395 4.132 20 5 HIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1SCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000026210859 847102654 /nfs/dbraw/zinc/10/26/54/847102654.db2.gz MNQGWDHBSNQFFD-UHFFFAOYSA-N 0 0 422.510 4.103 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc2ccc(F)cc2s1 ZINC000026221803 847106425 /nfs/dbraw/zinc/10/64/25/847106425.db2.gz NPFMUZPLIVCXQW-JTQLQIEISA-N 0 0 418.402 4.141 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000026346206 847129274 /nfs/dbraw/zinc/12/92/74/847129274.db2.gz YAPPPNMJYKYDDI-UHFFFAOYSA-N 0 0 401.772 4.338 20 5 HIBDRN CN(CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026350075 847130940 /nfs/dbraw/zinc/13/09/40/847130940.db2.gz SCXWHHQQJDKNLD-DEOSSOPVSA-N 0 0 421.472 4.414 20 5 HIBDRN O=C(CCSc1nnc(NCc2ccccc2)s1)Nc1ccccc1[N+](=O)[O-] ZINC000026363384 847134217 /nfs/dbraw/zinc/13/42/17/847134217.db2.gz FFQLEASIVGLDQO-UHFFFAOYSA-N 0 0 415.500 4.179 20 5 HIBDRN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000026543111 847166592 /nfs/dbraw/zinc/16/65/92/847166592.db2.gz NUAHPNROLLBINH-UHFFFAOYSA-N 0 0 418.496 4.369 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nnc2ccccn21 ZINC000026555819 847168991 /nfs/dbraw/zinc/16/89/91/847168991.db2.gz KCPRBBFLOFAQQN-AWEZNQCLSA-N 0 0 419.466 4.280 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)N3CCN([C@H](C)c4cccc([N+](=O)[O-])c4)CC3)n2)cc1 ZINC000026600323 847175589 /nfs/dbraw/zinc/17/55/89/847175589.db2.gz GWPOYQLZQNKEJC-QZTJIDSGSA-N 0 0 421.501 4.393 20 5 HIBDRN COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc12 ZINC000026661584 847181985 /nfs/dbraw/zinc/18/19/85/847181985.db2.gz KKOGKOCNXIEFBJ-AWEZNQCLSA-N 0 0 408.410 4.249 20 5 HIBDRN COc1ccc2ccc(OC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2c1 ZINC000026769999 847195700 /nfs/dbraw/zinc/19/57/00/847195700.db2.gz KVMMBFHADDXBEX-UHFFFAOYSA-N 0 0 422.393 4.050 20 5 HIBDRN Cn1ccnc1[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1F ZINC000026885398 847216067 /nfs/dbraw/zinc/21/60/67/847216067.db2.gz QXDALMKMTAHKEM-IBGZPJMESA-N 0 0 410.449 4.284 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000026919933 847222198 /nfs/dbraw/zinc/22/21/98/847222198.db2.gz COVAYSROHNPPPX-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(SC)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000027164045 847260074 /nfs/dbraw/zinc/26/00/74/847260074.db2.gz AKIUXAZKPLARCR-JTQLQIEISA-N 0 0 412.414 4.418 20 5 HIBDRN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000027242108 847272393 /nfs/dbraw/zinc/27/23/93/847272393.db2.gz YYZAKSYTFYVBRL-UHFFFAOYSA-N 0 0 424.501 4.222 20 5 HIBDRN CN(CC(=O)Nc1ccccc1Cl)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000027500513 847313944 /nfs/dbraw/zinc/31/39/44/847313944.db2.gz UUHNYUHTFRHAFU-UHFFFAOYSA-N 0 0 406.851 4.053 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nnc(COc2cc(C)ccc2C)o1 ZINC000027757374 847347618 /nfs/dbraw/zinc/34/76/18/847347618.db2.gz MOXPAFGIUQIWPI-UHFFFAOYSA-N 0 0 401.444 4.475 20 5 HIBDRN Cc1[nH]c2ccccc2c1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000027812035 847353471 /nfs/dbraw/zinc/35/34/71/847353471.db2.gz OSRVHXCVSBGDJW-UHFFFAOYSA-N 0 0 421.331 4.199 20 5 HIBDRN CC(=O)c1ccc(Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000436427256 861784728 /nfs/dbraw/zinc/78/47/28/861784728.db2.gz ZZOQYTMRBPWJCH-UHFFFAOYSA-N 0 0 407.348 4.383 20 5 HIBDRN COc1ccc(-c2nc(COC(=O)c3cccc([N+](=O)[O-])c3C)cs2)c(OC)c1 ZINC000028184264 847392925 /nfs/dbraw/zinc/39/29/25/847392925.db2.gz XUQIDVMBWJQRJK-UHFFFAOYSA-N 0 0 414.439 4.401 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000028400796 847415567 /nfs/dbraw/zinc/41/55/67/847415567.db2.gz RSWPXNINJSBJGX-NEPJUHHUSA-N 0 0 422.890 4.393 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000028400577 847416003 /nfs/dbraw/zinc/41/60/03/847416003.db2.gz DVSVPKFYQYDOJF-NSHDSACASA-N 0 0 408.863 4.463 20 5 HIBDRN O=C(CSc1nnc2sc3ccccc3n12)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000028422343 847419119 /nfs/dbraw/zinc/41/91/19/847419119.db2.gz ASXAIMSOAUODCU-UHFFFAOYSA-N 0 0 419.875 4.236 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000028424821 847419948 /nfs/dbraw/zinc/41/99/48/847419948.db2.gz IYQFFHWRBWQKSM-HOTGVXAUSA-N 0 0 410.470 4.205 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2[N+](=O)[O-])C1 ZINC000028491238 847426925 /nfs/dbraw/zinc/42/69/25/847426925.db2.gz BKAPZCIYYMYNCG-RTBURBONSA-N 0 0 422.529 4.040 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000028683535 847447668 /nfs/dbraw/zinc/44/76/68/847447668.db2.gz QIVXOOPDQVQWQI-UONOGXRCSA-N 0 0 420.560 4.403 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2occc2COc2ccccc2)cccc1[N+](=O)[O-] ZINC000028748698 847455856 /nfs/dbraw/zinc/45/58/56/847455856.db2.gz HLPBEUOPRLXHQB-HNNXBMFYSA-N 0 0 424.409 4.259 20 5 HIBDRN Cc1cc2occ(CC(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])c2cc1C(C)C ZINC000028832552 847466144 /nfs/dbraw/zinc/46/61/44/847466144.db2.gz AJDVACDTXLEBRO-UHFFFAOYSA-N 0 0 410.426 4.497 20 5 HIBDRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000029030033 847495676 /nfs/dbraw/zinc/49/56/76/847495676.db2.gz PCSLSLUKXXKHPT-FZXOMJPYSA-N 0 0 416.861 4.414 20 5 HIBDRN CN(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1Cl ZINC000029049554 847497840 /nfs/dbraw/zinc/49/78/40/847497840.db2.gz UKIIVTYORPPDGY-INIZCTEOSA-N 0 0 403.891 4.496 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000029097649 847504955 /nfs/dbraw/zinc/50/49/55/847504955.db2.gz FFNBVWPVPSCDPA-IRXDYDNUSA-N 0 0 417.465 4.258 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000436444294 861804843 /nfs/dbraw/zinc/80/48/43/861804843.db2.gz MMETVICQRAAGID-SWLSCSKDSA-N 0 0 422.268 4.129 20 5 HIBDRN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000029516593 847573102 /nfs/dbraw/zinc/57/31/02/847573102.db2.gz FTFDNWVFIUSTSO-HOTGVXAUSA-N 0 0 409.486 4.010 20 5 HIBDRN COc1cc(C(=O)Nc2nc3c(cccc3C)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000029579989 847583187 /nfs/dbraw/zinc/58/31/87/847583187.db2.gz ZURIHNUADZUKJY-UHFFFAOYSA-N 0 0 409.370 4.375 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000436452198 861808882 /nfs/dbraw/zinc/80/88/82/861808882.db2.gz BMBSJCGLYGUENT-OAHLLOKOSA-N 0 0 406.719 4.186 20 5 HIBDRN O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccccc1[N+](=O)[O-] ZINC000029706002 847603624 /nfs/dbraw/zinc/60/36/24/847603624.db2.gz OHUYFEOSPRLVDP-UHFFFAOYSA-N 0 0 411.849 4.485 20 5 HIBDRN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2ccc(Cl)cc2s1 ZINC000436452879 861809604 /nfs/dbraw/zinc/80/96/04/861809604.db2.gz WHBGDSWMGSSWEZ-UHFFFAOYSA-N 0 0 413.846 4.320 20 5 HIBDRN O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1cccnc1 ZINC000029740074 847612222 /nfs/dbraw/zinc/61/22/22/847612222.db2.gz VJIKHZRZUHLQTQ-UHFFFAOYSA-N 0 0 404.451 4.040 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000436463438 861813126 /nfs/dbraw/zinc/81/31/26/861813126.db2.gz YKCWAXRWPSNTKQ-OAHLLOKOSA-N 0 0 406.719 4.186 20 5 HIBDRN CCOC(=O)CCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000029969813 847661924 /nfs/dbraw/zinc/66/19/24/847661924.db2.gz GEPXLPLCZXTIHH-UHFFFAOYSA-N 0 0 406.822 4.114 20 5 HIBDRN Cc1c(NCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000030290718 847698704 /nfs/dbraw/zinc/69/87/04/847698704.db2.gz COPWEVSAXQADJA-QGZVFWFLSA-N 0 0 410.455 4.348 20 5 HIBDRN O=C(Nc1ccc(SC2CCCC2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000030510407 847724558 /nfs/dbraw/zinc/72/45/58/847724558.db2.gz MMTLFXOLZDEONY-UHFFFAOYSA-N 0 0 409.471 4.463 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1 ZINC000031207282 847843666 /nfs/dbraw/zinc/84/36/66/847843666.db2.gz RIQMBLYTKJMGGT-GFCCVEGCSA-N 0 0 415.247 4.034 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)c1 ZINC000031214101 847845748 /nfs/dbraw/zinc/84/57/48/847845748.db2.gz SOAQFULHTSXNDR-CQSZACIVSA-N 0 0 419.934 4.489 20 5 HIBDRN CNc1ccc(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)cc1[N+](=O)[O-] ZINC000031311733 847861057 /nfs/dbraw/zinc/86/10/57/847861057.db2.gz UMHFBIAODUCIMG-UHFFFAOYSA-N 0 0 409.417 4.285 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000031396707 847874480 /nfs/dbraw/zinc/87/44/80/847874480.db2.gz TVRPSPFBWVOCTE-UONOGXRCSA-N 0 0 413.499 4.301 20 5 HIBDRN CCN(Cc1cccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1)C(C)=O ZINC000031589479 847913318 /nfs/dbraw/zinc/91/33/18/847913318.db2.gz QBEZGAOAGUJCTB-CQSZACIVSA-N 0 0 401.488 4.083 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000031600584 847915347 /nfs/dbraw/zinc/91/53/47/847915347.db2.gz WAQKPXUIIGXTPL-UHFFFAOYSA-N 0 0 419.485 4.252 20 5 HIBDRN CC(C)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000031674118 847926546 /nfs/dbraw/zinc/92/65/46/847926546.db2.gz OENXSRLZSFNMHO-LLVKDONJSA-N 0 0 404.248 4.144 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(I)c1 ZINC000031701903 847933114 /nfs/dbraw/zinc/93/31/14/847933114.db2.gz MMSHADLUUNXVCS-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1I)N(Cc1ccccc1)C1CC1 ZINC000031728188 847939533 /nfs/dbraw/zinc/93/95/33/847939533.db2.gz MHHPIBFCCMGEGF-UHFFFAOYSA-N 0 0 422.222 4.004 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000032152880 847989352 /nfs/dbraw/zinc/98/93/52/847989352.db2.gz JEXAODJTHORHEW-QGZVFWFLSA-N 0 0 419.466 4.368 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000032245939 847994586 /nfs/dbraw/zinc/99/45/86/847994586.db2.gz MZXTZIXZIXXARO-OAHLLOKOSA-N 0 0 416.384 4.263 20 5 HIBDRN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032343122 848009445 /nfs/dbraw/zinc/00/94/45/848009445.db2.gz IEZXQLBWRUOXLU-ZDUSSCGKSA-N 0 0 407.455 4.223 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)cc1OC ZINC000032465764 848032462 /nfs/dbraw/zinc/03/24/62/848032462.db2.gz WNNXKEMVAAYTTB-UHFFFAOYSA-N 0 0 412.446 4.428 20 5 HIBDRN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033162396 848117092 /nfs/dbraw/zinc/11/70/92/848117092.db2.gz FQOULWMRYVQNPP-INIZCTEOSA-N 0 0 414.874 4.401 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 ZINC000033658094 848137849 /nfs/dbraw/zinc/13/78/49/848137849.db2.gz DJNSFJOQFLCVLW-UHFFFAOYSA-N 0 0 404.835 4.337 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1cccs1 ZINC000033736641 848139182 /nfs/dbraw/zinc/13/91/82/848139182.db2.gz NNQGUPIZLXTGCG-LLVKDONJSA-N 0 0 403.489 4.054 20 5 HIBDRN Cc1cc(I)ccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000037975179 848175514 /nfs/dbraw/zinc/17/55/14/848175514.db2.gz ANSUYVKWODOHPK-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1I)c1ccccc1[N+](=O)[O-] ZINC000038881881 848180409 /nfs/dbraw/zinc/18/04/09/848180409.db2.gz GDSNUVVMRIWCPG-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN COCCN(Cc1ccccc1)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000039479351 848183901 /nfs/dbraw/zinc/18/39/01/848183901.db2.gz FUEWINMJPYSMOE-GOSISDBHSA-N 0 0 411.502 4.120 20 5 HIBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] ZINC000040882776 848199288 /nfs/dbraw/zinc/19/92/88/848199288.db2.gz UOKLBGSWXBGZLR-UHFFFAOYSA-N 0 0 402.363 4.326 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000041318272 848210397 /nfs/dbraw/zinc/21/03/97/848210397.db2.gz WGKNMNVNVNONAB-UHFFFAOYSA-N 0 0 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COc1cc([C@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 ZINC000057006140 850532206 /nfs/dbraw/zinc/53/22/06/850532206.db2.gz JMOVENDKYGDZDE-HNNXBMFYSA-N 0 0 413.474 4.485 20 5 HIBDRN CNC(=O)c1ccc(N[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000057151189 850561347 /nfs/dbraw/zinc/56/13/47/850561347.db2.gz WULQWONAOHAWCD-NRFANRHFSA-N 0 0 409.417 4.304 20 5 HIBDRN C[C@@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000057282322 850599925 /nfs/dbraw/zinc/59/99/25/850599925.db2.gz HHXCMMSTANKDRG-MRXNPFEDSA-N 0 0 416.437 4.313 20 5 HIBDRN COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000057561518 850668679 /nfs/dbraw/zinc/66/86/79/850668679.db2.gz PBGSWKNBQHAEOL-UHFFFAOYSA-N 0 0 415.409 4.103 20 5 HIBDRN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000057623016 850681989 /nfs/dbraw/zinc/68/19/89/850681989.db2.gz VPRCSLWOONKMST-UHFFFAOYSA-N 0 0 402.410 4.235 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl 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CC1CCC(NS(=O)(=O)c2ccc(NCc3cccs3)c([N+](=O)[O-])c2)CC1 ZINC000068837735 852373508 /nfs/dbraw/zinc/37/35/08/852373508.db2.gz DIXPOTHOIHCVBH-UHFFFAOYSA-N 0 0 409.533 4.125 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000069413258 852394621 /nfs/dbraw/zinc/39/46/21/852394621.db2.gz YRCSABORKIPBOA-UHFFFAOYSA-N 0 0 410.451 4.203 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1[N+](=O)[O-] ZINC000071794809 852405408 /nfs/dbraw/zinc/40/54/08/852405408.db2.gz DEGAJBCIGPKXPR-LZGZYFLISA-N 0 0 413.518 4.199 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Br)s2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000071822722 852412374 /nfs/dbraw/zinc/41/23/74/852412374.db2.gz CTHMONMNTJMEJT-UHFFFAOYSA-N 0 0 407.249 4.165 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3nc4cc(F)ccc4n3C)cc2[N+](=O)[O-])C1 ZINC000437161294 862354929 /nfs/dbraw/zinc/35/49/29/862354929.db2.gz RMODLXGBTWDDPC-CYBMUJFWSA-N 0 0 411.437 4.109 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 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O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000437170423 862364794 /nfs/dbraw/zinc/36/47/94/862364794.db2.gz HGPWRVQCXVSFNW-MRXNPFEDSA-N 0 0 422.359 4.362 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000078505907 852516983 /nfs/dbraw/zinc/51/69/83/852516983.db2.gz FPCUIWOCCAERKX-UHFFFAOYSA-N 0 0 407.707 4.175 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000078610314 852522425 /nfs/dbraw/zinc/52/24/25/852522425.db2.gz MFWNCKHOERAKTM-KRWDZBQOSA-N 0 0 413.232 4.183 20 5 HIBDRN O=C(Nc1ccccc1I)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000096731180 852553688 /nfs/dbraw/zinc/55/36/88/852553688.db2.gz FWPZBEPUEHSKQN-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN CCCN(CC(=O)Nc1ccccc1C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000096954876 852562485 /nfs/dbraw/zinc/56/24/85/852562485.db2.gz ZHJUEOPNCPZRMO-INIZCTEOSA-N 0 0 423.473 4.365 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000097570431 852632530 /nfs/dbraw/zinc/63/25/30/852632530.db2.gz SQUZHQANXFMPFR-SFHVURJKSA-N 0 0 409.269 4.487 20 5 HIBDRN Cc1cc(S(=O)(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)ccc1[N+](=O)[O-] ZINC000097572841 852633208 /nfs/dbraw/zinc/63/32/08/852633208.db2.gz KRDNSTYJMTTZTP-UHFFFAOYSA-N 0 0 415.398 4.041 20 5 HIBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000097596923 852642333 /nfs/dbraw/zinc/64/23/33/852642333.db2.gz YRLLEUXDENZISN-QGZVFWFLSA-N 0 0 408.813 4.142 20 5 HIBDRN Cn1c(=O)c2c(nc1Sc1ccc([N+](=O)[O-])c3cnccc13)sc1c2CCCC1 ZINC000098078736 852655392 /nfs/dbraw/zinc/65/53/92/852655392.db2.gz GWPBJCORBRXEDP-UHFFFAOYSA-N 0 0 424.507 4.481 20 5 HIBDRN O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100466367 852658245 /nfs/dbraw/zinc/65/82/45/852658245.db2.gz UWFJASPIGXASBI-UHFFFAOYSA-N 0 0 412.402 4.274 20 5 HIBDRN O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104588867 852672302 /nfs/dbraw/zinc/67/23/02/852672302.db2.gz CIAIXFNBJPRPTR-UHFFFAOYSA-N 0 0 415.254 4.176 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(CN2CCCC2=O)cc1 ZINC000104879460 852680048 /nfs/dbraw/zinc/68/00/48/852680048.db2.gz FZSAGWRVYHOQDO-UHFFFAOYSA-N 0 0 422.466 4.093 20 5 HIBDRN O=c1[nH]c2ccccc2n1C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000105135133 852691880 /nfs/dbraw/zinc/69/18/80/852691880.db2.gz AETZPWUIWOAZBL-UHFFFAOYSA-N 0 0 406.364 4.098 20 5 HIBDRN O=C(NC1CC1)c1ccc(N2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000105436235 852705643 /nfs/dbraw/zinc/70/56/43/852705643.db2.gz QWNLYNYKGDNHJV-QGZVFWFLSA-N 0 0 408.483 4.438 20 5 HIBDRN COc1ccc(OC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)c([N+](=O)[O-])c1 ZINC000105510561 852709379 /nfs/dbraw/zinc/70/93/79/852709379.db2.gz FYTMCFXYKVIIAN-UHFFFAOYSA-N 0 0 405.366 4.334 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(F)cc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105526471 852710273 /nfs/dbraw/zinc/71/02/73/852710273.db2.gz SAYSEXASYWXUFQ-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN CCOCc1ccc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000105929043 852739477 /nfs/dbraw/zinc/73/94/77/852739477.db2.gz TYLVQSRALHPZDI-UHFFFAOYSA-N 0 0 411.502 4.298 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc3nc(C)sc3c2)cc1[N+](=O)[O-] ZINC000105968733 852741869 /nfs/dbraw/zinc/74/18/69/852741869.db2.gz IJEFOJPBLWZKHA-UHFFFAOYSA-N 0 0 403.485 4.393 20 5 HIBDRN O=C(c1ccccc1OC(F)F)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000106189492 852760678 /nfs/dbraw/zinc/76/06/78/852760678.db2.gz FDNKVSKUSJHHGC-UHFFFAOYSA-N 0 0 404.291 4.401 20 5 HIBDRN Cc1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n(-c2cccc(Cl)c2)n1 ZINC000106202835 852761698 /nfs/dbraw/zinc/76/16/98/852761698.db2.gz BGOPUNKGHNSRJW-UHFFFAOYSA-N 0 0 422.832 4.180 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)cc2)c(C)c1[N+](=O)[O-] ZINC000106235687 852764593 /nfs/dbraw/zinc/76/45/93/852764593.db2.gz XZTMABMFBGUOKH-JHVJFLLYSA-N 0 0 410.518 4.497 20 5 HIBDRN COC(=O)c1ccc2c(c1)CCN2C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000107782979 852796600 /nfs/dbraw/zinc/79/66/00/852796600.db2.gz UITOKAYSENXUNU-UHFFFAOYSA-N 0 0 418.405 4.377 20 5 HIBDRN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000107850013 852803042 /nfs/dbraw/zinc/80/30/42/852803042.db2.gz OBAHVAXJTCYYCH-DHIUTWEWSA-N 0 0 402.450 4.464 20 5 HIBDRN Cc1cccc(-n2ccnc2SCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000108153180 852825658 /nfs/dbraw/zinc/82/56/58/852825658.db2.gz JOMWGCTXOVYRAB-MRXNPFEDSA-N 0 0 410.499 4.367 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ncnc3cccc(F)c32)CC1 ZINC000108199091 852827780 /nfs/dbraw/zinc/82/77/80/852827780.db2.gz DYZNTSOYUKPCGU-UHFFFAOYSA-N 0 0 421.354 4.023 20 5 HIBDRN O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000108205810 852828964 /nfs/dbraw/zinc/82/89/64/852828964.db2.gz AYWOASLSRCWIEC-UHFFFAOYSA-N 0 0 409.421 4.162 20 5 HIBDRN CCOc1c(Br)cc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000108286474 852836378 /nfs/dbraw/zinc/83/63/78/852836378.db2.gz 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COc1ccccc1CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000108752245 852877590 /nfs/dbraw/zinc/87/75/90/852877590.db2.gz KYAMSWGPAVZAJP-MRXNPFEDSA-N 0 0 420.469 4.144 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)c2)oc1C ZINC000108887022 852889642 /nfs/dbraw/zinc/88/96/42/852889642.db2.gz VQSNUBJHDCZUOM-UHFFFAOYSA-N 0 0 418.413 4.008 20 5 HIBDRN CN(Cc1csc(Br)c1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000108976586 852902652 /nfs/dbraw/zinc/90/26/52/852902652.db2.gz YGYKHIQYASGAEB-UHFFFAOYSA-N 0 0 409.265 4.101 20 5 HIBDRN Cc1ccc(C)c(OCCCCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000108987970 852904303 /nfs/dbraw/zinc/90/43/03/852904303.db2.gz NLJWCFCRSDYHBR-UHFFFAOYSA-N 0 0 411.502 4.110 20 5 HIBDRN O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000109026689 852911305 /nfs/dbraw/zinc/91/13/05/852911305.db2.gz OXPLKDOYGJMGCE-LJQANCHMSA-N 0 0 407.430 4.149 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])c4cnccc34)cc2)C[C@H](C)O1 ZINC000109075210 852917585 /nfs/dbraw/zinc/91/75/85/852917585.db2.gz ZCBXISHNRIFZSS-IYBDPMFKSA-N 0 0 420.469 4.005 20 5 HIBDRN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109278145 852946652 /nfs/dbraw/zinc/94/66/52/852946652.db2.gz BJTHZHUOFBXOOW-UHFFFAOYSA-N 0 0 424.420 4.348 20 5 HIBDRN COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1OC1CCCC1 ZINC000109394580 852964120 /nfs/dbraw/zinc/96/41/20/852964120.db2.gz VRBICEMAKIKZJU-UHFFFAOYSA-N 0 0 404.394 4.081 20 5 HIBDRN Cc1nc(-c2ccc(CCNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)cs1 ZINC000109847603 853022876 /nfs/dbraw/zinc/02/28/76/853022876.db2.gz FTGZJMSMNCIWBE-UHFFFAOYSA-N 0 0 406.467 4.481 20 5 HIBDRN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000109858332 853024638 /nfs/dbraw/zinc/02/46/38/853024638.db2.gz VTJPNQNRBUXDJE-UHFFFAOYSA-N 0 0 406.373 4.333 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000109917838 853034628 /nfs/dbraw/zinc/03/46/28/853034628.db2.gz QJRPWZFWSSDTSS-UHFFFAOYSA-N 0 0 411.439 4.235 20 5 HIBDRN O=C(NCc1ccco1)Nc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000109919361 853034832 /nfs/dbraw/zinc/03/48/32/853034832.db2.gz HCCBVSCPBBHKJP-UHFFFAOYSA-N 0 0 419.397 4.243 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)c1ccccc1Oc1ccccc1 ZINC000110212190 853075114 /nfs/dbraw/zinc/07/51/14/853075114.db2.gz XIKBFPHLJZRCEQ-UHFFFAOYSA-N 0 0 414.439 4.221 20 5 HIBDRN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000110314415 853086633 /nfs/dbraw/zinc/08/66/33/853086633.db2.gz KZZRMAVSBHROJO-GOSISDBHSA-N 0 0 401.850 4.108 20 5 HIBDRN CCC[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000110429818 853099261 /nfs/dbraw/zinc/09/92/61/853099261.db2.gz YLLYDFJKZCDYCB-QGZVFWFLSA-N 0 0 423.391 4.001 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCCC[C@@H]2C2OCCO2)cc1[N+](=O)[O-] ZINC000110496565 853108147 /nfs/dbraw/zinc/10/81/47/853108147.db2.gz IJTRCJXDKDQNAT-MRXNPFEDSA-N 0 0 408.520 4.101 20 5 HIBDRN CC(C)(CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000110516249 853111106 /nfs/dbraw/zinc/11/11/06/853111106.db2.gz PWEHIJAXVYYXET-UHFFFAOYSA-N 0 0 406.364 4.198 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)cc1[N+](=O)[O-] ZINC000110580956 853121144 /nfs/dbraw/zinc/12/11/44/853121144.db2.gz VLLBKTHPNLEEES-UHFFFAOYSA-N 0 0 402.410 4.409 20 5 HIBDRN COc1ccc(C)c2c1N(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)CCC2 ZINC000110593602 853124197 /nfs/dbraw/zinc/12/41/97/853124197.db2.gz GCUDVUIIAJIEBJ-UHFFFAOYSA-N 0 0 405.248 4.267 20 5 HIBDRN CC(=O)Nc1ccc(C)cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000110703217 853140617 /nfs/dbraw/zinc/14/06/17/853140617.db2.gz ZACXIBKGOYGRQA-UHFFFAOYSA-N 0 0 424.379 4.321 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000110732806 853145938 /nfs/dbraw/zinc/14/59/38/853145938.db2.gz WSLIVKHBBMJPMF-GJZGRUSLSA-N 0 0 406.442 4.360 20 5 HIBDRN COCCOc1ncccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000110816799 853154028 /nfs/dbraw/zinc/15/40/28/853154028.db2.gz VMNRJPGRDYGOAM-UHFFFAOYSA-N 0 0 408.414 4.011 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000110853346 853157231 /nfs/dbraw/zinc/15/72/31/853157231.db2.gz HHEYTBBOPWNMRY-CQSZACIVSA-N 0 0 400.378 4.139 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCOc1cccc2cccnc21 ZINC000111021871 853189083 /nfs/dbraw/zinc/18/90/83/853189083.db2.gz BXZUVNLXOQPRMQ-HNNXBMFYSA-N 0 0 411.483 4.209 20 5 HIBDRN O=[N+]([O-])c1ccc2nc(NC[C@H](O)COc3cccc(Cl)c3Cl)sc2c1 ZINC000111190817 853218221 /nfs/dbraw/zinc/21/82/21/853218221.db2.gz PDWKVOURJPKAAV-JTQLQIEISA-N 0 0 414.270 4.363 20 5 HIBDRN O=[N+]([O-])c1ccc2nc(NC[C@H](O)COc3cccc(C(F)(F)F)c3)sc2c1 ZINC000111189824 853218279 /nfs/dbraw/zinc/21/82/79/853218279.db2.gz BEIDOSFQQAQLCD-LBPRGKRZSA-N 0 0 413.377 4.075 20 5 HIBDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000437234818 862440588 /nfs/dbraw/zinc/44/05/88/862440588.db2.gz CDLZEEAOZFMOCX-OAHLLOKOSA-N 0 0 413.474 4.012 20 5 HIBDRN Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cs1 ZINC000112637389 853235071 /nfs/dbraw/zinc/23/50/71/853235071.db2.gz YBMSAAMZYYJDPQ-UHFFFAOYSA-N 0 0 421.475 4.203 20 5 HIBDRN Cc1csc(N(CC(F)(F)F)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000115677685 853259248 /nfs/dbraw/zinc/25/92/48/853259248.db2.gz NSZMIXWXFCHNEL-SNVBAGLBSA-N 0 0 405.423 4.436 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000116003107 853278011 /nfs/dbraw/zinc/27/80/11/853278011.db2.gz KRFDGICWHJRHTA-MRXNPFEDSA-N 0 0 416.909 4.083 20 5 HIBDRN CCN(CCc1ccccn1)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000116157010 853287485 /nfs/dbraw/zinc/28/74/85/853287485.db2.gz ORHWYXQMYLPUMD-QGZVFWFLSA-N 0 0 419.485 4.263 20 5 HIBDRN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000117180659 853347008 /nfs/dbraw/zinc/34/70/08/853347008.db2.gz PHHOEUYYOZLGFK-UHFFFAOYSA-N 0 0 411.845 4.471 20 5 HIBDRN COc1ccc(C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 ZINC000117236101 853349471 /nfs/dbraw/zinc/34/94/71/853349471.db2.gz IHJKHZLTAFPBBW-IBGZPJMESA-N 0 0 412.467 4.387 20 5 HIBDRN CC(C)[C@H](Oc1ccccc1Br)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000117558877 853360813 /nfs/dbraw/zinc/36/08/13/853360813.db2.gz PQYUTWZRVUJDSH-KRWDZBQOSA-N 0 0 407.264 4.077 20 5 HIBDRN CC(C)C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000138358877 853383897 /nfs/dbraw/zinc/38/38/97/853383897.db2.gz NZBAZDZKZQLFAQ-LBPRGKRZSA-N 0 0 405.838 4.249 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 ZINC000138420152 853385634 /nfs/dbraw/zinc/38/56/34/853385634.db2.gz DHANPMGTFPVJLK-NSHDSACASA-N 0 0 405.863 4.284 20 5 HIBDRN CC(=O)Nc1c(C)ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000138477160 853387073 /nfs/dbraw/zinc/38/70/73/853387073.db2.gz NGNFMGVSNKEEQM-GFCCVEGCSA-N 0 0 405.838 4.229 20 5 HIBDRN Cc1c(CS(=O)(=O)Cc2cc(Br)ccc2Cl)cccc1[N+](=O)[O-] ZINC000437243605 862459112 /nfs/dbraw/zinc/45/91/12/862459112.db2.gz IXYFGLHVWLGJPP-UHFFFAOYSA-N 0 0 418.696 4.434 20 5 HIBDRN COCCN(Cc1cccs1)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000139164217 853403745 /nfs/dbraw/zinc/40/37/45/853403745.db2.gz JWWJXGVNXRZLHG-UHFFFAOYSA-N 0 0 417.531 4.181 20 5 HIBDRN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000139804244 853422294 /nfs/dbraw/zinc/42/22/94/853422294.db2.gz CDYCHRJXNVHZQW-INIZCTEOSA-N 0 0 419.865 4.470 20 5 HIBDRN CN(Cc1ccc(Cl)cc1Cl)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000140680845 853450015 /nfs/dbraw/zinc/45/00/15/853450015.db2.gz YQDZSGVVZVQCGU-UHFFFAOYSA-N 0 0 419.268 4.215 20 5 HIBDRN Cc1ccc([C@@H]2CCCN2Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1C ZINC000140744244 853451034 /nfs/dbraw/zinc/45/10/34/853451034.db2.gz CNMXAAUMLPLUJZ-QFIPXVFZSA-N 0 0 404.470 4.230 20 5 HIBDRN CCO[C@@H]1CCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000144053749 853528053 /nfs/dbraw/zinc/52/80/53/853528053.db2.gz FSIHBSPLAHLDNX-CQSZACIVSA-N 0 0 407.517 4.152 20 5 HIBDRN CC(=O)NCCc1ccc(C(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000145248733 853548671 /nfs/dbraw/zinc/54/86/71/853548671.db2.gz YSEWGIWRKSXENV-UHFFFAOYSA-N 0 0 418.449 4.202 20 5 HIBDRN CS(=O)(=O)c1cc(C(=O)Nc2cccc(Oc3ccccc3)c2)cc([N+](=O)[O-])c1 ZINC000145339453 853549403 /nfs/dbraw/zinc/54/94/03/853549403.db2.gz HPITULZCMRFZQF-UHFFFAOYSA-N 0 0 412.423 4.043 20 5 HIBDRN CCOC(=O)c1cc2cc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])ccc2s1 ZINC000146930772 853578733 /nfs/dbraw/zinc/57/87/33/853578733.db2.gz MZUKMJJIUYYKAM-UHFFFAOYSA-N 0 0 400.412 4.247 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)(C)c1ccc2c(c1)OCO2 ZINC000437255141 862479819 /nfs/dbraw/zinc/47/98/19/862479819.db2.gz JAPWRPNQJYDZHR-UHFFFAOYSA-N 0 0 410.348 4.350 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)c1 ZINC000147081706 853581973 /nfs/dbraw/zinc/58/19/73/853581973.db2.gz AAIXMYOTCPJBAU-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](c2ccccc2)O1 ZINC000147663339 853591692 /nfs/dbraw/zinc/59/16/92/853591692.db2.gz FDKNPUSADYPWSY-PXAZEXFGSA-N 0 0 407.373 4.190 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)c2cccc(C(C)C)c2)cc1OC ZINC000149052516 853616707 /nfs/dbraw/zinc/61/67/07/853616707.db2.gz ACEDGQJZDUNDTA-UHFFFAOYSA-N 0 0 402.447 4.029 20 5 HIBDRN O=C(Nc1ccccc1I)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149545794 853626635 /nfs/dbraw/zinc/62/66/35/853626635.db2.gz CQLUAAJYCKYVHL-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN O=C(NCc1cc(Br)cs1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000156629384 853644379 /nfs/dbraw/zinc/64/43/79/853644379.db2.gz HIIRPFNPEIUDBV-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)ncc1Br ZINC000159137279 853644587 /nfs/dbraw/zinc/64/45/87/853644587.db2.gz ZURRWJVKYBFEOA-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN CSc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)OCCO2 ZINC000437258533 862487960 /nfs/dbraw/zinc/48/79/60/862487960.db2.gz OJFMDZNRTDFNGL-UHFFFAOYSA-N 0 0 414.361 4.359 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H](C)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000195677499 853753069 /nfs/dbraw/zinc/75/30/69/853753069.db2.gz OAYIGTPWLKCHCD-LBPRGKRZSA-N 0 0 407.264 4.117 20 5 HIBDRN CSc1ccc(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc1[N+](=O)[O-] ZINC000195685985 853757903 /nfs/dbraw/zinc/75/79/03/853757903.db2.gz BZACIYRZMOWUDN-UHFFFAOYSA-N 0 0 401.488 4.231 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCn2c3ccccc3nc21 ZINC000195693330 853762413 /nfs/dbraw/zinc/76/24/13/853762413.db2.gz XBJJPUJJPHEDDZ-UHFFFAOYSA-N 0 0 400.394 4.397 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000195702530 853768648 /nfs/dbraw/zinc/76/86/48/853768648.db2.gz AJRNNMIEFAGFHC-SECBINFHSA-N 0 0 417.220 4.306 20 5 HIBDRN CN(C)c1ccc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc2n1 ZINC000195704880 853769272 /nfs/dbraw/zinc/76/92/72/853769272.db2.gz JFFBCYLLFMNEKM-UHFFFAOYSA-N 0 0 422.488 4.408 20 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ZINC000301878138 854483423 /nfs/dbraw/zinc/48/34/23/854483423.db2.gz NYRDRTRBGUFTJR-KRWDZBQOSA-N 0 0 415.247 4.357 20 5 HIBDRN CS(=O)(=O)c1cccc(N2Cc3ccccc3[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000301888331 854485057 /nfs/dbraw/zinc/48/50/57/854485057.db2.gz NAHCXKIUXYYJFF-IBGZPJMESA-N 0 0 408.479 4.150 20 5 HIBDRN COc1ccccc1[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1ccccn1 ZINC000301892013 854485866 /nfs/dbraw/zinc/48/58/66/854485866.db2.gz VGSVVYZLSIREOT-QGZVFWFLSA-N 0 0 415.247 4.357 20 5 HIBDRN C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)c1nc(-c2ccccc2)no1 ZINC000301890192 854486343 /nfs/dbraw/zinc/48/63/43/854486343.db2.gz TXQZISZVDUDODP-JTQLQIEISA-N 0 0 404.224 4.018 20 5 HIBDRN C[C@@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1cccc(F)c1F ZINC000301929921 854496039 /nfs/dbraw/zinc/49/60/39/854496039.db2.gz OAXFOXCWXUUEIW-SNVBAGLBSA-N 0 0 406.776 4.245 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC2(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000301935411 854497503 /nfs/dbraw/zinc/49/75/03/854497503.db2.gz PHRIMUMFUMYOHJ-UHFFFAOYSA-N 0 0 420.434 4.222 20 5 HIBDRN CCc1nn(C)c(NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c1[N+](=O)[O-] ZINC000301938590 854498507 /nfs/dbraw/zinc/49/85/07/854498507.db2.gz SAOBIDIFLZZYDW-UHFFFAOYSA-N 0 0 413.305 4.358 20 5 HIBDRN C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000301939406 854499285 /nfs/dbraw/zinc/49/92/85/854499285.db2.gz SXFFBORXLIYURQ-GFCCVEGCSA-N 0 0 403.485 4.295 20 5 HIBDRN COc1ccc(-c2ccc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)cc1 ZINC000301940226 854499622 /nfs/dbraw/zinc/49/96/22/854499622.db2.gz UIVRZCMRHMEAHT-UHFFFAOYSA-N 0 0 418.496 4.348 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c2ccncc21 ZINC000301963610 854505817 /nfs/dbraw/zinc/50/58/17/854505817.db2.gz UTJZTVAKPVVPCG-CYBMUJFWSA-N 0 0 404.348 4.215 20 5 HIBDRN COc1cc(N2CCO[C@@H](c3ccccc3Br)C2)c(F)cc1[N+](=O)[O-] ZINC000301961638 854505981 /nfs/dbraw/zinc/50/59/81/854505981.db2.gz MTLWOCHFXLRCKP-QGZVFWFLSA-N 0 0 411.227 4.083 20 5 HIBDRN COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000301969803 854507347 /nfs/dbraw/zinc/50/73/47/854507347.db2.gz CGYBJNKNWJXEFV-CQSZACIVSA-N 0 0 416.453 4.172 20 5 HIBDRN O=C(c1cc(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301986583 854510568 /nfs/dbraw/zinc/51/05/68/854510568.db2.gz KEOLZFJAADLYDG-ICSRJNTNSA-N 0 0 415.877 4.426 20 5 HIBDRN Cc1c(Cl)ccc2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 ZINC000301993587 854511951 /nfs/dbraw/zinc/51/19/51/854511951.db2.gz GSLWKTOGJGYKBR-UHFFFAOYSA-N 0 0 410.861 4.067 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(NCc3ccc(-c4ccc5c(c4)CCCO5)cc3)nn21 ZINC000302005718 854514864 /nfs/dbraw/zinc/51/48/64/854514864.db2.gz SXNVGBZQPKFZFD-UHFFFAOYSA-N 0 0 401.426 4.242 20 5 HIBDRN Cc1cc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302028993 854518799 /nfs/dbraw/zinc/51/87/99/854518799.db2.gz RIQFSQLTISDXHU-UHFFFAOYSA-N 0 0 424.888 4.457 20 5 HIBDRN O=[N+]([O-])c1ccc(Nc2ccc(N3CCC(O)CC3)cc2)nc1OCc1ccccc1 ZINC000302159208 854539769 /nfs/dbraw/zinc/53/97/69/854539769.db2.gz GIMACGZWYGXSMB-UHFFFAOYSA-N 0 0 420.469 4.274 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000302170541 854541373 /nfs/dbraw/zinc/54/13/73/854541373.db2.gz ACZGQQRLGGGZPM-KRWDZBQOSA-N 0 0 409.486 4.371 20 5 HIBDRN O=C(NC1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1)c1ccsc1 ZINC000302237256 854555236 /nfs/dbraw/zinc/55/52/36/854555236.db2.gz KFTIRZRACUPTPK-UHFFFAOYSA-N 0 0 400.287 4.362 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[C@@]2(C1)OCc1ccccc12 ZINC000302247079 854557211 /nfs/dbraw/zinc/55/72/11/854557211.db2.gz LCIAPLZMONJHNG-KRWDZBQOSA-N 0 0 409.320 4.158 20 5 HIBDRN O=C(N1CCC(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1)C(F)(F)F ZINC000302298909 854560724 /nfs/dbraw/zinc/56/07/24/854560724.db2.gz PMQLXUCJALCFAO-UHFFFAOYSA-N 0 0 400.184 4.114 20 5 HIBDRN NS(=O)(=O)c1ccc(N[C@H]2CCc3ccc(-c4ccccc4)cc32)c([N+](=O)[O-])c1 ZINC000302349234 854562337 /nfs/dbraw/zinc/56/23/37/854562337.db2.gz BISZBFFDDXPPIV-IBGZPJMESA-N 0 0 409.467 4.009 20 5 HIBDRN CCOc1ccc2c(c1)[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c1)CCO2 ZINC000302336439 854562342 /nfs/dbraw/zinc/56/23/42/854562342.db2.gz AZCLGZNWRRCYPD-LJQANCHMSA-N 0 0 411.458 4.165 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000437313591 862579038 /nfs/dbraw/zinc/57/90/38/862579038.db2.gz SCYZGBHWNKGJDL-LSDHHAIUSA-N 0 0 405.248 4.042 20 5 HIBDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302419554 854569237 /nfs/dbraw/zinc/56/92/37/854569237.db2.gz IPQSKINKCILFIN-MRXNPFEDSA-N 0 0 424.461 4.474 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3)cc2N1 ZINC000302431105 854570625 /nfs/dbraw/zinc/57/06/25/854570625.db2.gz KUMKBAKSJFBICN-CYBMUJFWSA-N 0 0 420.391 4.189 20 5 HIBDRN CCC1(CC)CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCS1(=O)=O ZINC000302468949 854574349 /nfs/dbraw/zinc/57/43/49/854574349.db2.gz TWGGLQMGXMSMNX-UHFFFAOYSA-N 0 0 414.833 4.061 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000302483439 854574869 /nfs/dbraw/zinc/57/48/69/854574869.db2.gz YNDQLMXBCYDSCO-AWEZNQCLSA-N 0 0 416.634 4.123 20 5 HIBDRN COc1cc(Br)ccc1CNc1ncc([N+](=O)[O-])cc1Br ZINC000302506579 854578032 /nfs/dbraw/zinc/57/80/32/854578032.db2.gz MTSQLXXZXHBAPI-UHFFFAOYSA-N 0 0 417.057 4.136 20 5 HIBDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000302506771 854578280 /nfs/dbraw/zinc/57/82/80/854578280.db2.gz DYKPXGDLKSMQAN-CWTRNNRKSA-N 0 0 401.850 4.099 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2)cc1 ZINC000302594539 854589260 /nfs/dbraw/zinc/58/92/60/854589260.db2.gz AWROVRYANXOGJJ-UHFFFAOYSA-N 0 0 412.467 4.286 20 5 HIBDRN CC(C)c1ccc([C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000302648061 854597441 /nfs/dbraw/zinc/59/74/41/854597441.db2.gz YRXBZYYRSVKFCF-OAQYLSRUSA-N 0 0 407.474 4.426 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000302674487 854601848 /nfs/dbraw/zinc/60/18/48/854601848.db2.gz TWRWLWLVTZMAIS-UHFFFAOYSA-N 0 0 414.405 4.161 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OC[C@@H]1CCCCO1 ZINC000302682410 854603024 /nfs/dbraw/zinc/60/30/24/854603024.db2.gz ACMLBNXMCVFMIE-NRFANRHFSA-N 0 0 421.453 4.102 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000302704442 854609012 /nfs/dbraw/zinc/60/90/12/854609012.db2.gz BWMITBPEJUVZIG-LJQANCHMSA-N 0 0 408.458 4.401 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(Cc3ccccn3)C3CC3)cc2[N+](=O)[O-])C1 ZINC000302712682 854611334 /nfs/dbraw/zinc/61/13/34/854611334.db2.gz YFPQJVOGECFDFI-IRXDYDNUSA-N 0 0 408.502 4.277 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCc3cc(Br)ccc3C2)c(Br)c1 ZINC000302725613 854613501 /nfs/dbraw/zinc/61/35/01/854613501.db2.gz OWEMMHXGXXCSCE-UHFFFAOYSA-N 0 0 413.069 4.078 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1SC ZINC000437318572 862585562 /nfs/dbraw/zinc/58/55/62/862585562.db2.gz NGVCCFMOFOHUFO-NOZJJQNGSA-N 0 0 410.854 4.404 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000302792035 854634218 /nfs/dbraw/zinc/63/42/18/854634218.db2.gz YVEGLHRDVTVWCH-ZDUSSCGKSA-N 0 0 414.405 4.011 20 5 HIBDRN CCOc1cc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000302848430 854655342 /nfs/dbraw/zinc/65/53/42/854655342.db2.gz RVNNIAMSYLJSAL-UHFFFAOYSA-N 0 0 400.406 4.071 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(OCc2ccccc2)CC1 ZINC000302909576 854676255 /nfs/dbraw/zinc/67/62/55/854676255.db2.gz IZHICOOLJATGNY-INIZCTEOSA-N 0 0 408.458 4.387 20 5 HIBDRN CCOc1ccc(Oc2ccc(NCc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)cc1 ZINC000302910475 854676445 /nfs/dbraw/zinc/67/64/45/854676445.db2.gz LDTPFRWFWBRYDI-UHFFFAOYSA-N 0 0 407.426 4.497 20 5 HIBDRN CN(C(=O)CSc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000302911055 854676509 /nfs/dbraw/zinc/67/65/09/854676509.db2.gz BEGHYUUXHNVCBZ-UHFFFAOYSA-N 0 0 405.785 4.417 20 5 HIBDRN COc1cc([C@@H]2Nc3ccccc3C(=O)N2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000302915780 854678503 /nfs/dbraw/zinc/67/85/03/854678503.db2.gz XGLCVVPDUMLLSP-JOCHJYFZSA-N 0 0 419.437 4.379 20 5 HIBDRN CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000302921635 854681467 /nfs/dbraw/zinc/68/14/67/854681467.db2.gz OEDHGRGYUHAHNO-UHFFFAOYSA-N 0 0 413.455 4.443 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n(C(C)(C)C)n1 ZINC000302942431 854689452 /nfs/dbraw/zinc/68/94/52/854689452.db2.gz AXBQTDDWYNCMTD-UHFFFAOYSA-N 0 0 410.478 4.282 20 5 HIBDRN Cc1nc2ccccc2c2c(NC(=O)[C@@H](C)OC[C@@H]3CCCO3)c3ccccc3n21 ZINC000302951887 854693522 /nfs/dbraw/zinc/69/35/22/854693522.db2.gz APAKIYHBFPRLAC-WBVHZDCISA-N 0 0 403.482 4.472 20 5 HIBDRN COc1cc(Br)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000303012548 854722467 /nfs/dbraw/zinc/72/24/67/854722467.db2.gz KKROFUJWCOGTRQ-UHFFFAOYSA-N 0 0 417.162 4.220 20 5 HIBDRN O=C(NCc1ccc(OC2CCCC2)nc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000303015185 854723712 /nfs/dbraw/zinc/72/37/12/854723712.db2.gz KLNWEXNBUMCTGR-UHFFFAOYSA-N 0 0 424.482 4.365 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2ccc(F)cc2)cc1 ZINC000303044191 854737500 /nfs/dbraw/zinc/73/75/00/854737500.db2.gz WVMSUDHCFNBLSH-HXUWFJFHSA-N 0 0 420.400 4.138 20 5 HIBDRN COc1ccc(CCN(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000303184290 854806318 /nfs/dbraw/zinc/80/63/18/854806318.db2.gz VATKZRDSRUCBIA-UHFFFAOYSA-N 0 0 405.454 4.192 20 5 HIBDRN CC(C)c1cccc(N(C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000303215000 854820258 /nfs/dbraw/zinc/82/02/58/854820258.db2.gz STLUYLVJEVCAPA-UHFFFAOYSA-N 0 0 413.293 4.306 20 5 HIBDRN CCOc1ccc(Br)cc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000303222039 854823121 /nfs/dbraw/zinc/82/31/21/854823121.db2.gz VBKRIXMHRPPPIE-NSHDSACASA-N 0 0 408.252 4.195 20 5 HIBDRN Cc1c(C(=O)NCc2ccccc2[N+](=O)[O-])nnn1-c1ccc(-c2ccccc2)cc1 ZINC000303376969 854898787 /nfs/dbraw/zinc/89/87/87/854898787.db2.gz LOPDHMCTBYTWDK-UHFFFAOYSA-N 0 0 413.437 4.081 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000303468341 854966107 /nfs/dbraw/zinc/96/61/07/854966107.db2.gz MSHITIUUCGWZGU-UHFFFAOYSA-N 0 0 400.822 4.053 20 5 HIBDRN CC(C)[C@H](c1ccccc1)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000303477909 854973844 /nfs/dbraw/zinc/97/38/44/854973844.db2.gz ISAYPZOZMFYYFF-OAQYLSRUSA-N 0 0 411.458 4.139 20 5 HIBDRN O=C(Nc1ccc2c3c(cccc31)CC2)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000303534398 855020872 /nfs/dbraw/zinc/02/08/72/855020872.db2.gz XFXVLLFVKJJJFL-KRWDZBQOSA-N 0 0 421.478 4.151 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000303593978 855067270 /nfs/dbraw/zinc/06/72/70/855067270.db2.gz PGYNTEGXVXZRMU-LJQANCHMSA-N 0 0 414.527 4.379 20 5 HIBDRN Cc1cccc(-c2ccc(CNC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cc2)c1 ZINC000303650300 855105469 /nfs/dbraw/zinc/10/54/69/855105469.db2.gz DQNFPCQXOSKDKJ-UHFFFAOYSA-N 0 0 413.437 4.081 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000303674739 855124745 /nfs/dbraw/zinc/12/47/45/855124745.db2.gz QCJKSQYMYYHTIP-NDEPHWFRSA-N 0 0 401.488 4.132 20 5 HIBDRN CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437360240 862643241 /nfs/dbraw/zinc/64/32/41/862643241.db2.gz STNUXTNRJXLVPX-UHFFFAOYSA-N 0 0 401.728 4.478 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000303687382 855133186 /nfs/dbraw/zinc/13/31/86/855133186.db2.gz LSTPFEGZGBCCTF-CYBMUJFWSA-N 0 0 421.856 4.258 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)C[C@H](C)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000303702118 855141082 /nfs/dbraw/zinc/14/10/82/855141082.db2.gz OKBCYEIKBFAFKN-KXBFYZLASA-N 0 0 416.449 4.427 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000303708372 855144467 /nfs/dbraw/zinc/14/44/67/855144467.db2.gz PKIOWEGRENVBSW-AZUAARDMSA-N 0 0 415.534 4.183 20 5 HIBDRN Cc1cc(C(=O)CCC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c(C)s1 ZINC000303750718 855172784 /nfs/dbraw/zinc/17/27/84/855172784.db2.gz AHAGBPXMFXSPMV-UHFFFAOYSA-N 0 0 403.504 4.163 20 5 HIBDRN O=C(CCOc1cccc(Br)c1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000303822912 855223574 /nfs/dbraw/zinc/22/35/74/855223574.db2.gz NHSIUBHKPPSGOJ-UHFFFAOYSA-N 0 0 421.291 4.265 20 5 HIBDRN COc1ccc(OCCSc2nnc(-c3ccccc3Cl)n2C)c([N+](=O)[O-])c1 ZINC000303840883 855238183 /nfs/dbraw/zinc/23/81/83/855238183.db2.gz BOLWWOVHTJGMCJ-UHFFFAOYSA-N 0 0 420.878 4.223 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000437370586 862666993 /nfs/dbraw/zinc/66/69/93/862666993.db2.gz HMWQTJZUMGNQKD-SMDDNHRTSA-N 0 0 415.165 4.061 20 5 HIBDRN CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000303920234 855291779 /nfs/dbraw/zinc/29/17/79/855291779.db2.gz VRKYBXMYEVBUQX-MSOLQXFVSA-N 0 0 400.479 4.061 20 5 HIBDRN CCOc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c([N+](=O)[O-])cc1OCC ZINC000303938720 855304634 /nfs/dbraw/zinc/30/46/34/855304634.db2.gz WWMWTUITHBFLKB-CHWSQXEVSA-N 0 0 406.385 4.413 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000304045165 855344360 /nfs/dbraw/zinc/34/43/60/855344360.db2.gz OGLOFFBGDWEJDG-UHFFFAOYSA-N 0 0 401.850 4.056 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000304062161 855347673 /nfs/dbraw/zinc/34/76/73/855347673.db2.gz RMVUPZQSBBXOAS-NRFANRHFSA-N 0 0 421.522 4.115 20 5 HIBDRN Cc1csc([C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)n1 ZINC000304084987 855352190 /nfs/dbraw/zinc/35/21/90/855352190.db2.gz WJNCITGWGQKAFK-HNNXBMFYSA-N 0 0 400.485 4.364 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1 ZINC000304120549 855355902 /nfs/dbraw/zinc/35/59/02/855355902.db2.gz ZYOOKIYRMVDNIY-UHFFFAOYSA-N 0 0 406.360 4.056 20 5 HIBDRN O=C(Nc1cc(I)ccc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000305216332 855359884 /nfs/dbraw/zinc/35/98/84/855359884.db2.gz DNODVGOVQCHQCF-UHFFFAOYSA-N 0 0 408.604 4.167 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1ccccc1I ZINC000312390465 855372176 /nfs/dbraw/zinc/37/21/76/855372176.db2.gz SSIXUYKGXBAGGA-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000437373216 862674396 /nfs/dbraw/zinc/67/43/96/862674396.db2.gz LERKMKVCKYFJCF-KDOFPFPSSA-N 0 0 404.850 4.006 20 5 HIBDRN O=C(Nc1ccc2nccnc2c1Br)c1ccc([N+](=O)[O-])cc1Cl ZINC000326399295 855409754 /nfs/dbraw/zinc/40/97/54/855409754.db2.gz LCTGRJHPWWZOIE-UHFFFAOYSA-N 0 0 407.611 4.206 20 5 HIBDRN O=C(Nc1cc(I)ccc1Cl)c1cc(F)cc([N+](=O)[O-])c1 ZINC000385007489 855440709 /nfs/dbraw/zinc/44/07/09/855440709.db2.gz GGFAYLRYHOWJMI-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccc(I)c1 ZINC000409417806 855483348 /nfs/dbraw/zinc/48/33/48/855483348.db2.gz NDXMKLHCWZOOKG-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN COc1ccc(C[C@H](C)CNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000409520609 855521094 /nfs/dbraw/zinc/52/10/94/855521094.db2.gz QTKYELBAQRHKOI-JTQLQIEISA-N 0 0 413.293 4.036 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409563572 855542607 /nfs/dbraw/zinc/54/26/07/855542607.db2.gz RPUKLTQLUABFGZ-PXNSSMCTSA-N 0 0 415.287 4.220 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000409586837 855553721 /nfs/dbraw/zinc/55/37/21/855553721.db2.gz SOBRVLBOWURYIY-UHFFFAOYSA-N 0 0 412.377 4.252 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437384216 862698339 /nfs/dbraw/zinc/69/83/39/862698339.db2.gz MDMCDAIPIOUMEX-SMDDNHRTSA-N 0 0 404.266 4.317 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000409779584 855649670 /nfs/dbraw/zinc/64/96/70/855649670.db2.gz LSTZILFNWNCRHQ-STQMWFEESA-N 0 0 407.264 4.310 20 5 HIBDRN O=C(c1ccccc1OCc1cccs1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000409809930 855665233 /nfs/dbraw/zinc/66/52/33/855665233.db2.gz FGIBTNXGOQYPBH-UHFFFAOYSA-N 0 0 423.494 4.198 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(F)cc1OCCC(F)(F)F ZINC000409855956 855690094 /nfs/dbraw/zinc/69/00/94/855690094.db2.gz FRQPGWIYEOHQHF-UHFFFAOYSA-N 0 0 415.343 4.424 20 5 HIBDRN COC(=O)c1ccc(Cl)c(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000409859463 855691710 /nfs/dbraw/zinc/69/17/10/855691710.db2.gz ZXDQCGBPOVEYPB-UHFFFAOYSA-N 0 0 408.863 4.297 20 5 HIBDRN COC(=O)c1cc(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])c1 ZINC000437389284 862714585 /nfs/dbraw/zinc/71/45/85/862714585.db2.gz BZLJVFCAROFGPF-YGUOUDRMSA-N 0 0 422.359 4.076 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(F)ccc(Br)c1F ZINC000409958381 855745516 /nfs/dbraw/zinc/74/55/16/855745516.db2.gz SJRPQEVQBRWSQD-UHFFFAOYSA-N 0 0 415.190 4.215 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000410056590 855804338 /nfs/dbraw/zinc/80/43/38/855804338.db2.gz VFAWYPHADSVWLM-UHFFFAOYSA-N 0 0 419.485 4.091 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000410147250 855838499 /nfs/dbraw/zinc/83/84/99/855838499.db2.gz JDDGMFJERINCRS-UHFFFAOYSA-N 0 0 421.409 4.224 20 5 HIBDRN CCc1nn(C)cc1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000410164007 855845828 /nfs/dbraw/zinc/84/58/28/855845828.db2.gz WGJIVCWYIVRMPY-UHFFFAOYSA-N 0 0 413.865 4.409 20 5 HIBDRN Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC000410178575 855851711 /nfs/dbraw/zinc/85/17/11/855851711.db2.gz JEPVBRNGSOEZJW-GFCCVEGCSA-N 0 0 406.822 4.124 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)c1 ZINC000410223275 855868272 /nfs/dbraw/zinc/86/82/72/855868272.db2.gz CINRGGMSOCOMGC-UHFFFAOYSA-N 0 0 404.463 4.426 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000410225688 855868993 /nfs/dbraw/zinc/86/89/93/855868993.db2.gz ARFKKHAIGVEKMG-CQSZACIVSA-N 0 0 404.413 4.333 20 5 HIBDRN O=C(Nc1ccc(N2CCC2=O)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000410244451 855879026 /nfs/dbraw/zinc/87/90/26/855879026.db2.gz MFLCHDFTQKZARL-UHFFFAOYSA-N 0 0 417.421 4.163 20 5 HIBDRN CCCn1nccc1C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000410281716 855899884 /nfs/dbraw/zinc/89/98/84/855899884.db2.gz BBTYZQKVTNTCCV-UHFFFAOYSA-N 0 0 402.470 4.024 20 5 HIBDRN COc1cc(C(=O)NCc2cccc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000410292148 855908810 /nfs/dbraw/zinc/90/88/10/855908810.db2.gz PYKPOFVYWPBSEO-UHFFFAOYSA-N 0 0 402.353 4.288 20 5 HIBDRN COc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(C)c(OC)c1 ZINC000410367436 855955012 /nfs/dbraw/zinc/95/50/12/855955012.db2.gz JYWSUTNGUPEZKS-UHFFFAOYSA-N 0 0 414.336 4.114 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@]2(c3ccc(Cl)cc3)C[C@H]2C)cc1OC ZINC000410384778 855965025 /nfs/dbraw/zinc/96/50/25/855965025.db2.gz VZMLSOFSQIYHAV-MPBGBICISA-N 0 0 404.850 4.321 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000425924144 856002199 /nfs/dbraw/zinc/00/21/99/856002199.db2.gz UEAHVSWVKSEBLC-OAHLLOKOSA-N 0 0 415.412 4.295 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H](Oc4ncccc4F)C3)cs2)c1 ZINC000425974039 856024479 /nfs/dbraw/zinc/02/44/79/856024479.db2.gz BSPMPEPIDMZHAC-QGZVFWFLSA-N 0 0 414.462 4.296 20 5 HIBDRN O=C(NCCNc1ncc(Cl)cc1Cl)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426045971 856070445 /nfs/dbraw/zinc/07/04/45/856070445.db2.gz DBVVCGHJDCJIAL-UHFFFAOYSA-N 0 0 424.288 4.083 20 5 HIBDRN COc1cccc2c1CC[C@@H]2NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426053239 856074973 /nfs/dbraw/zinc/07/49/73/856074973.db2.gz BFNNPGOWFKOIHO-INIZCTEOSA-N 0 0 409.364 4.109 20 5 HIBDRN CC(=O)N1CCCc2cc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc21 ZINC000426074571 856089845 /nfs/dbraw/zinc/08/98/45/856089845.db2.gz DUBNKBGJHPMSAR-UHFFFAOYSA-N 0 0 408.458 4.090 20 5 HIBDRN C[C@@H](c1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1)N1CCOCC1 ZINC000426111216 856115156 /nfs/dbraw/zinc/11/51/56/856115156.db2.gz OETFKUMNFUYVCY-KRWDZBQOSA-N 0 0 424.501 4.185 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000426204560 856174818 /nfs/dbraw/zinc/17/48/18/856174818.db2.gz QJUSLABKTAOYNB-AEFFLSMTSA-N 0 0 423.391 4.333 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1ccccn1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426233244 856192309 /nfs/dbraw/zinc/19/23/09/856192309.db2.gz ZSIXVFKEGICXBO-QFIPXVFZSA-N 0 0 402.454 4.453 20 5 HIBDRN O=C(NCc1ccc(OC2CCCC2)nc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426241339 856197618 /nfs/dbraw/zinc/19/76/18/856197618.db2.gz CTAYBMIGJASSMS-UHFFFAOYSA-N 0 0 410.474 4.185 20 5 HIBDRN C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H](c2ccccc2)O1 ZINC000426253616 856204000 /nfs/dbraw/zinc/20/40/00/856204000.db2.gz ARHSCRPQMGCNBJ-ACJLOTCBSA-N 0 0 423.391 4.285 20 5 HIBDRN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426259977 856206915 /nfs/dbraw/zinc/20/69/15/856206915.db2.gz CJLHOEXREOLMBL-SJKOYZFVSA-N 0 0 408.380 4.301 20 5 HIBDRN COc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C(F)(F)F)c1 ZINC000426265597 856210326 /nfs/dbraw/zinc/21/03/26/856210326.db2.gz HYCVGKDIGZHFFL-UHFFFAOYSA-N 0 0 423.391 4.496 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H](c2ccccc2F)C1 ZINC000426267402 856211618 /nfs/dbraw/zinc/21/16/18/856211618.db2.gz NALIBYSASLTZBH-ZDUSSCGKSA-N 0 0 411.355 4.452 20 5 HIBDRN Cc1csc(C(C)(C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000426270131 856212040 /nfs/dbraw/zinc/21/20/40/856212040.db2.gz ZFHNAPVCJKXQEP-UHFFFAOYSA-N 0 0 402.398 4.113 20 5 HIBDRN CC(C)(C)OC1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000426274600 856214471 /nfs/dbraw/zinc/21/44/71/856214471.db2.gz AGVNQNIIOARAHV-UHFFFAOYSA-N 0 0 403.401 4.103 20 5 HIBDRN CCc1ccc([C@H](NCc2cc(C)nc(N3CCCC3)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000426295349 856227666 /nfs/dbraw/zinc/22/76/66/856227666.db2.gz UCWVMZXZNXJKNH-JOCHJYFZSA-N 0 0 421.501 4.328 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000437412347 862775823 /nfs/dbraw/zinc/77/58/23/862775823.db2.gz XNXBIULYIVEBQA-JCNLHEQBSA-N 0 0 404.463 4.038 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H]3C[C@H](c4ccccc4F)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000437413231 862776916 /nfs/dbraw/zinc/77/69/16/862776916.db2.gz ZVIODMHZODTORC-WGSAOQKQSA-N 0 0 422.460 4.272 20 5 HIBDRN Cc1cccc(NC(=O)Nc2cccc3c2N(Cc2c([N+](=O)[O-])ncn2C)CCC3)c1 ZINC000426461366 856302809 /nfs/dbraw/zinc/30/28/09/856302809.db2.gz SFALRSLMJMRFEH-UHFFFAOYSA-N 0 0 420.473 4.234 20 5 HIBDRN Cc1cc(C)c(NC(=O)Cc2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)c(C)c1 ZINC000426527466 856335206 /nfs/dbraw/zinc/33/52/06/856335206.db2.gz WVVXYPOMLLNFJJ-UHFFFAOYSA-N 0 0 408.458 4.410 20 5 HIBDRN Cc1nc(C)n(Cc2cccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000426622537 856378489 /nfs/dbraw/zinc/37/84/89/856378489.db2.gz HDRHZNUIQNUUPI-UHFFFAOYSA-N 0 0 400.826 4.149 20 5 HIBDRN COc1ccc(C[NH2+]C[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426635808 856386344 /nfs/dbraw/zinc/38/63/44/856386344.db2.gz BSWYDVIKSVWEQL-OAQYLSRUSA-N 0 0 420.465 4.304 20 5 HIBDRN C[C@@H](N(C)C(=O)c1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])c1)C1(C)CC1 ZINC000426650651 856393607 /nfs/dbraw/zinc/39/36/07/856393607.db2.gz FKLSAAQSLLSPER-CABCVRRESA-N 0 0 401.507 4.116 20 5 HIBDRN C[C@H](CCC(=O)[O-])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000426657208 856397189 /nfs/dbraw/zinc/39/71/89/856397189.db2.gz MKYSQCIKICRGHT-LLVKDONJSA-N 0 0 411.252 4.208 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000426686927 856413180 /nfs/dbraw/zinc/41/31/80/856413180.db2.gz HSADEVAYTYTQOJ-MRXNPFEDSA-N 0 0 418.291 4.003 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+][C@@H](CC(=O)[O-])c3ccsc3)o2)c([N+](=O)[O-])c1 ZINC000426692479 856416568 /nfs/dbraw/zinc/41/65/68/856416568.db2.gz SCZUOZMIVIOTAB-INIZCTEOSA-N 0 0 402.428 4.231 20 5 HIBDRN Cc1ccc(NC(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000437425788 862801080 /nfs/dbraw/zinc/80/10/80/862801080.db2.gz ZBLUWVITPCLUMM-IERDGZPVSA-N 0 0 413.474 4.350 20 5 HIBDRN CC(C)c1ccc(C[NH2+][C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000426727626 856438024 /nfs/dbraw/zinc/43/80/24/856438024.db2.gz PFPRFNQDBZQRSN-FQEVSTJZSA-N 0 0 408.458 4.210 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000426727799 856438133 /nfs/dbraw/zinc/43/81/33/856438133.db2.gz QLPZZJUUBDCDBF-QGZVFWFLSA-N 0 0 408.241 4.168 20 5 HIBDRN O=C([O-])[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000426747586 856451299 /nfs/dbraw/zinc/45/12/99/856451299.db2.gz QHNHDNQYEIJOOM-KRWDZBQOSA-N 0 0 400.431 4.248 20 5 HIBDRN CC(C)c1ccc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426763006 856464996 /nfs/dbraw/zinc/46/49/96/856464996.db2.gz PEGJAUKUWZRJPY-QGZVFWFLSA-N 0 0 421.291 4.266 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000437426482 862802033 /nfs/dbraw/zinc/80/20/33/862802033.db2.gz KWBRHXJEPSNMLV-UHFFFAOYSA-N 0 0 412.229 4.266 20 5 HIBDRN Cc1cc(C)cc(C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])c1 ZINC000426819349 856496145 /nfs/dbraw/zinc/49/61/45/856496145.db2.gz VNNDLXFMAVZIPH-IBGZPJMESA-N 0 0 411.483 4.121 20 5 HIBDRN O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000426863920 856517728 /nfs/dbraw/zinc/51/77/28/856517728.db2.gz IMLAWZUQRKMOHK-UHFFFAOYSA-N 0 0 405.435 4.242 20 5 HIBDRN C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000426900272 856532543 /nfs/dbraw/zinc/53/25/43/856532543.db2.gz FNXCONIWGBNTIS-VIFPVBQESA-N 0 0 402.398 4.366 20 5 HIBDRN COc1ccc([C@H](CCO)Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000426898641 856532945 /nfs/dbraw/zinc/53/29/45/856532945.db2.gz WICDFENJNOETGF-FQEVSTJZSA-N 0 0 406.438 4.370 20 5 HIBDRN CC[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1OCC(=O)N1CCCC1 ZINC000426908425 856537234 /nfs/dbraw/zinc/53/72/34/856537234.db2.gz YBXFPGXYEQOLKZ-SFHVURJKSA-N 0 0 401.438 4.298 20 5 HIBDRN COc1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)ccc1C(F)(F)F ZINC000426935415 856549773 /nfs/dbraw/zinc/54/97/73/856549773.db2.gz BTBWYGVQVGEURV-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000426966549 856567819 /nfs/dbraw/zinc/56/78/19/856567819.db2.gz VNTGZPCIRNBCSC-QFIPXVFZSA-N 0 0 421.453 4.316 20 5 HIBDRN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426974977 856573255 /nfs/dbraw/zinc/57/32/55/856573255.db2.gz PFXRBZZBKYFNEZ-VXKWHMMOSA-N 0 0 409.486 4.407 20 5 HIBDRN COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000427105762 856641032 /nfs/dbraw/zinc/64/10/32/856641032.db2.gz ARQOZKQMWWCRTL-UHFFFAOYSA-N 0 0 421.409 4.117 20 5 HIBDRN CCOC(=O)c1c(C[C@@H](C)CC)c(C)sc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427122004 856652013 /nfs/dbraw/zinc/65/20/13/856652013.db2.gz NSCZLDWAZRCCQB-NSHDSACASA-N 0 0 422.507 4.199 20 5 HIBDRN O=C(Nc1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1)c1cccnc1 ZINC000437457676 862821325 /nfs/dbraw/zinc/82/13/25/862821325.db2.gz FNORLHIEPNATAJ-UHFFFAOYSA-N 0 0 416.437 4.047 20 5 HIBDRN C[C@H](CC(=O)c1ccco1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427141667 856666831 /nfs/dbraw/zinc/66/68/31/856666831.db2.gz FGPDVYWEELEGAB-OAHLLOKOSA-N 0 0 408.410 4.158 20 5 HIBDRN Cc1cc(C)nc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000437460080 862823562 /nfs/dbraw/zinc/82/35/62/862823562.db2.gz GCIRAAFJFSUUFS-UHFFFAOYSA-N 0 0 422.407 4.481 20 5 HIBDRN CN(Cc1ccc(Br)c(F)c1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000427168482 856687472 /nfs/dbraw/zinc/68/74/72/856687472.db2.gz ULRZUXOAVKVCJX-UHFFFAOYSA-N 0 0 409.255 4.433 20 5 HIBDRN O=C(Nc1ccc(-c2ccco2)cc1F)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000427233385 856727031 /nfs/dbraw/zinc/72/70/31/856727031.db2.gz CTXIIWVHAGCWLL-UHFFFAOYSA-N 0 0 423.400 4.124 20 5 HIBDRN CCc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1CCC(C)C ZINC000427366273 856797080 /nfs/dbraw/zinc/79/70/80/856797080.db2.gz MTFDQXBPISMSPT-UHFFFAOYSA-N 0 0 414.506 4.083 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)n1 ZINC000427368416 856797615 /nfs/dbraw/zinc/79/76/15/856797615.db2.gz XTQDCNZDXBKBDK-JTQLQIEISA-N 0 0 419.894 4.388 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)n1 ZINC000427372839 856800031 /nfs/dbraw/zinc/80/00/31/856800031.db2.gz ROXBFOSUKWGWSG-OAHLLOKOSA-N 0 0 408.458 4.320 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000427396842 856805594 /nfs/dbraw/zinc/80/55/94/856805594.db2.gz UIEOCQQYZCPKRH-DOMZBBRYSA-N 0 0 417.512 4.147 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000427423123 856813939 /nfs/dbraw/zinc/81/39/39/856813939.db2.gz YXPXOSOTESJLKE-UHFFFAOYSA-N 0 0 411.458 4.180 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)[C@H](C)Cc2ccccc2OC)n1 ZINC000427463157 856831770 /nfs/dbraw/zinc/83/17/70/856831770.db2.gz CMLAJMNKEWPXHO-QGZVFWFLSA-N 0 0 422.485 4.093 20 5 HIBDRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)o1 ZINC000437484384 862842324 /nfs/dbraw/zinc/84/23/24/862842324.db2.gz JFIQYNSTFUZCGN-ACJLOTCBSA-N 0 0 400.431 4.150 20 5 HIBDRN O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1Br ZINC000427536708 856854154 /nfs/dbraw/zinc/85/41/54/856854154.db2.gz KKVWYIIFHJGQKK-ZWKOTPCHSA-N 0 0 419.275 4.225 20 5 HIBDRN O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000427547950 856860068 /nfs/dbraw/zinc/86/00/68/856860068.db2.gz BDVCHKDXGKOVEY-DYESRHJHSA-N 0 0 413.499 4.123 20 5 HIBDRN CSc1nccn1-c1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000427579107 856875627 /nfs/dbraw/zinc/87/56/27/856875627.db2.gz SFBDCXSHYBVVLA-UHFFFAOYSA-N 0 0 408.483 4.307 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccnc4ccccc43)cc2)n1 ZINC000427597834 856882939 /nfs/dbraw/zinc/88/29/39/856882939.db2.gz YXVNNAPBTMPZOY-UHFFFAOYSA-N 0 0 403.398 4.404 20 5 HIBDRN Cc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)n1-c1nccs1 ZINC000427596876 856882999 /nfs/dbraw/zinc/88/29/99/856882999.db2.gz OKIGQCSZBKHSFT-UHFFFAOYSA-N 0 0 424.404 4.408 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccn1Cc1cccs1 ZINC000427602926 856885413 /nfs/dbraw/zinc/88/54/13/856885413.db2.gz SGWCNZKEIOFOES-UHFFFAOYSA-N 0 0 409.389 4.455 20 5 HIBDRN C[C@@H](Cc1cccc(O)c1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000427648261 856896961 /nfs/dbraw/zinc/89/69/61/856896961.db2.gz YVKVYFRUYKXSRC-HOTGVXAUSA-N 0 0 420.469 4.230 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2c2cccc(OC)c2)n1 ZINC000427712942 856919364 /nfs/dbraw/zinc/91/93/64/856919364.db2.gz OIQLDAFWGNZQEG-SIKLNZKXSA-N 0 0 420.469 4.191 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)cc([N+](=O)[O-])c1 ZINC000437493421 862851158 /nfs/dbraw/zinc/85/11/58/862851158.db2.gz FPFMCSOPXQVBQS-UGSOOPFHSA-N 0 0 400.431 4.286 20 5 HIBDRN C[C@@H](C(=O)N(Cc1ccc(F)cc1)C1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000427734852 856928440 /nfs/dbraw/zinc/92/84/40/856928440.db2.gz NZTNKNAPEQEQEO-CQSZACIVSA-N 0 0 404.413 4.184 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000427740769 856933308 /nfs/dbraw/zinc/93/33/08/856933308.db2.gz KEWRMLGYWWVIAY-UHFFFAOYSA-N 0 0 424.375 4.157 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000427740628 856933457 /nfs/dbraw/zinc/93/34/57/856933457.db2.gz KTNJQINGCOJJRP-UHFFFAOYSA-N 0 0 406.841 4.138 20 5 HIBDRN Cc1c(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000427749610 856937343 /nfs/dbraw/zinc/93/73/43/856937343.db2.gz URCFBMBHJOKGDK-UHFFFAOYSA-N 0 0 410.192 4.182 20 5 HIBDRN O=C(Nc1cccc(Oc2ccccn2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000437501884 862856220 /nfs/dbraw/zinc/85/62/20/862856220.db2.gz PDVOEOIOFIZCRB-UHFFFAOYSA-N 0 0 402.366 4.288 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000427874131 856989441 /nfs/dbraw/zinc/98/94/41/856989441.db2.gz PNKYRBJNBMNSHQ-UHFFFAOYSA-N 0 0 409.467 4.476 20 5 HIBDRN CSc1ccc(CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000437508834 862858842 /nfs/dbraw/zinc/85/88/42/862858842.db2.gz RFFVIQPYSRRFNB-UHFFFAOYSA-N 0 0 401.307 4.113 20 5 HIBDRN CCS[C@H]1CCCC[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000427900671 856999642 /nfs/dbraw/zinc/99/96/42/856999642.db2.gz ILVCMRUDDRTDPB-HIFRSBDPSA-N 0 0 406.426 4.330 20 5 HIBDRN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C2CC2)o1 ZINC000427911213 857003149 /nfs/dbraw/zinc/00/31/49/857003149.db2.gz ZVILEHOWRKNJHG-KDOFPFPSSA-N 0 0 421.453 4.429 20 5 HIBDRN CC(=O)c1ccc(Br)cc1OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000428035226 857051619 /nfs/dbraw/zinc/05/16/19/857051619.db2.gz PGARDOVAQVFYAC-UHFFFAOYSA-N 0 0 418.203 4.189 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2coc(-c3ccc(Br)cc3)n2)cc1CO ZINC000428070707 857062369 /nfs/dbraw/zinc/06/23/69/857062369.db2.gz BXMFLVSZVQJHCV-UHFFFAOYSA-N 0 0 405.204 4.084 20 5 HIBDRN Cc1cccc(Oc2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(CO)c3)cc2)c1 ZINC000428081107 857066273 /nfs/dbraw/zinc/06/62/73/857066273.db2.gz SQPOIJCERKENBJ-UHFFFAOYSA-N 0 0 408.410 4.205 20 5 HIBDRN CCOC(=O)c1cc(N2CCC[C@H]2c2nc3ccccc3n2CC)ccc1[N+](=O)[O-] ZINC000428175284 857097480 /nfs/dbraw/zinc/09/74/80/857097480.db2.gz HZIVVPAQXWZYCN-FQEVSTJZSA-N 0 0 408.458 4.483 20 5 HIBDRN CC(F)(F)CC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000428184253 857102275 /nfs/dbraw/zinc/10/22/75/857102275.db2.gz OJCDXXQBFZHMHT-UHFFFAOYSA-N 0 0 409.458 4.013 20 5 HIBDRN CCOc1cc(NC(=O)[C@](C)(OC)c2ccccc2F)c([N+](=O)[O-])cc1OCC ZINC000428298867 857145887 /nfs/dbraw/zinc/14/58/87/857145887.db2.gz VOJWHZXNBYOLTK-HXUWFJFHSA-N 0 0 406.410 4.032 20 5 HIBDRN Cn1c(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)nc2cc(Cl)ccc21 ZINC000428311650 857147722 /nfs/dbraw/zinc/14/77/22/857147722.db2.gz RMZVNSJCKYHSPE-UHFFFAOYSA-N 0 0 412.755 4.084 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(c2ncccc2Cl)CC1 ZINC000428418395 857198342 /nfs/dbraw/zinc/19/83/42/857198342.db2.gz BFHIMUUYIITMBP-LBPRGKRZSA-N 0 0 424.284 4.470 20 5 HIBDRN CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O ZINC000428612172 857278612 /nfs/dbraw/zinc/27/86/12/857278612.db2.gz QISFRUNCEWDZIV-SJLPKXTDSA-N 0 0 404.850 4.416 20 5 HIBDRN Cc1noc(C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2)n1 ZINC000428653985 857290535 /nfs/dbraw/zinc/29/05/35/857290535.db2.gz UOHUFGKDXBZFRE-IBGZPJMESA-N 0 0 421.482 4.483 20 5 HIBDRN Cc1noc(C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 ZINC000428689750 857298275 /nfs/dbraw/zinc/29/82/75/857298275.db2.gz IPRUVJLCYDZJPU-INIZCTEOSA-N 0 0 401.810 4.045 20 5 HIBDRN C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428926898 857421651 /nfs/dbraw/zinc/42/16/51/857421651.db2.gz CZMYYVDAPGGEGS-FZKQIMNGSA-N 0 0 423.391 4.014 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000428980677 857442594 /nfs/dbraw/zinc/44/25/94/857442594.db2.gz VOJBUKAOPLPENQ-UHFFFAOYSA-N 0 0 422.279 4.016 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000429205314 857552703 /nfs/dbraw/zinc/55/27/03/857552703.db2.gz ZJRXADOCEVUBET-UHFFFAOYSA-N 0 0 420.263 4.265 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCOC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429250965 857575603 /nfs/dbraw/zinc/57/56/03/857575603.db2.gz AJLBRLVSRMZBTG-REWPJTCUSA-N 0 0 423.513 4.332 20 5 HIBDRN Cc1c(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cccc1N1CCNC1=O ZINC000429268758 857583622 /nfs/dbraw/zinc/58/36/22/857583622.db2.gz AUPQTJLUGVAJRD-UHFFFAOYSA-N 0 0 408.458 4.022 20 5 HIBDRN Cn1cc(C(=O)Nc2cc3c(cc2Cl)CCC3=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429493629 857695887 /nfs/dbraw/zinc/69/58/87/857695887.db2.gz OYADYGYTHPEZBI-UHFFFAOYSA-N 0 0 410.817 4.030 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc2c(cc1Cl)CCC2=O ZINC000429498048 857698256 /nfs/dbraw/zinc/69/82/56/857698256.db2.gz ZLLPUIAMMQLMEB-UHFFFAOYSA-N 0 0 423.650 4.321 20 5 HIBDRN CCCc1c(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC000429675504 857830311 /nfs/dbraw/zinc/83/03/11/857830311.db2.gz XLIOYWRLOVWETO-UHFFFAOYSA-N 0 0 423.473 4.372 20 5 HIBDRN COc1ccc(-c2noc(CNc3cc(Br)cc([N+](=O)[O-])c3C)n2)cc1 ZINC000429797289 857888045 /nfs/dbraw/zinc/88/80/45/857888045.db2.gz AMIRXLJUVPGMAY-UHFFFAOYSA-N 0 0 419.235 4.336 20 5 HIBDRN O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429817536 857896259 /nfs/dbraw/zinc/89/62/59/857896259.db2.gz CMYSRDHLQDJURS-CQSZACIVSA-N 0 0 409.211 4.140 20 5 HIBDRN CCOc1ccc(CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1OCC ZINC000429853756 857911213 /nfs/dbraw/zinc/91/12/13/857911213.db2.gz UCYKNGQWXJAUKS-UHFFFAOYSA-N 0 0 400.475 4.029 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000429917128 857945828 /nfs/dbraw/zinc/94/58/28/857945828.db2.gz BDXXUDYHRNLTRZ-QGZVFWFLSA-N 0 0 405.248 4.247 20 5 HIBDRN COc1ccc2nc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])sc2c1 ZINC000429928122 857952997 /nfs/dbraw/zinc/95/29/97/857952997.db2.gz DBJHTZXJOJKENN-UHFFFAOYSA-N 0 0 408.233 4.228 20 5 HIBDRN Cc1c(NC(=O)C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000429934773 857956334 /nfs/dbraw/zinc/95/63/34/857956334.db2.gz WJRKOOZSKLUYAC-UHFFFAOYSA-N 0 0 409.364 4.320 20 5 HIBDRN CCOC(=O)c1c(C)csc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429941187 857961383 /nfs/dbraw/zinc/96/13/83/857961383.db2.gz GTQXEJWGSTWVOH-UHFFFAOYSA-N 0 0 413.249 4.156 20 5 HIBDRN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)nn1-c1ccc(Br)cc1 ZINC000429959862 857969268 /nfs/dbraw/zinc/96/92/68/857969268.db2.gz GHUHMHPKYPALDS-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429972066 857976875 /nfs/dbraw/zinc/97/68/75/857976875.db2.gz YKHJDZGBJXLZNF-UHFFFAOYSA-N 0 0 413.249 4.075 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1OC ZINC000429973451 857977119 /nfs/dbraw/zinc/97/71/19/857977119.db2.gz WCWKEPVWKHJXMY-UHFFFAOYSA-N 0 0 423.263 4.085 20 5 HIBDRN CC(C)N(Cc1csc(CNC(=O)c2ccccc2)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000430042163 858008060 /nfs/dbraw/zinc/00/80/60/858008060.db2.gz XZLDVXVZIMEVRC-UHFFFAOYSA-N 0 0 424.526 4.392 20 5 HIBDRN CSc1ccc(S(=O)(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl ZINC000430082382 858023621 /nfs/dbraw/zinc/02/36/21/858023621.db2.gz ZRPBQCPAHGFNAT-UHFFFAOYSA-N 0 0 415.905 4.381 20 5 HIBDRN CCOc1cc(NC(=O)CO[C@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OCC ZINC000430113858 858036897 /nfs/dbraw/zinc/03/68/97/858036897.db2.gz OIFQYXZUBHBIKL-IBGZPJMESA-N 0 0 414.458 4.425 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@H]1CC12CCCC2 ZINC000430258372 858098396 /nfs/dbraw/zinc/09/83/96/858098396.db2.gz MMHFLYLHLGGXRZ-NRFANRHFSA-N 0 0 416.481 4.439 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2CCC2CCCC2)cc1OC ZINC000430360553 858132962 /nfs/dbraw/zinc/13/29/62/858132962.db2.gz AVCRSKDTVUYGLY-KRWDZBQOSA-N 0 0 420.506 4.204 20 5 HIBDRN COc1ccc(F)cc1-c1csc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000430412019 858149511 /nfs/dbraw/zinc/14/95/11/858149511.db2.gz GPSLPYUORVXBQX-UHFFFAOYSA-N 0 0 417.418 4.192 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(c4ccncc4)CC3)cc2[N+](=O)[O-])C1 ZINC000430414281 858150235 /nfs/dbraw/zinc/15/02/35/858150235.db2.gz KCPIQVDSSXTYST-QZTJIDSGSA-N 0 0 422.529 4.492 20 5 HIBDRN Cc1sc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000430439728 858165064 /nfs/dbraw/zinc/16/50/64/858165064.db2.gz PXFGYKGXHWUFHM-ZFWWWQNUSA-N 0 0 401.271 4.002 20 5 HIBDRN CCCn1ccnc1CCCN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430489814 858196626 /nfs/dbraw/zinc/19/66/26/858196626.db2.gz CVEUXCFNHUSUAA-UHFFFAOYSA-N 0 0 410.927 4.038 20 5 HIBDRN Cc1nc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc(C2CC2)n1 ZINC000430492630 858197995 /nfs/dbraw/zinc/19/79/95/858197995.db2.gz DJUADNLHWSEYGW-ZDUSSCGKSA-N 0 0 418.457 4.391 20 5 HIBDRN Cc1nc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C2CC2)n1 ZINC000430494724 858198684 /nfs/dbraw/zinc/19/86/84/858198684.db2.gz WJHKLXHCGGUSSA-UHFFFAOYSA-N 0 0 409.368 4.030 20 5 HIBDRN O=C(N[C@H](CO)CC(F)F)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000430535208 858210316 /nfs/dbraw/zinc/21/03/16/858210316.db2.gz UKXHZQPIRUAPFL-NSHDSACASA-N 0 0 416.833 4.145 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCC(c4ccncc4)CC3)cc2[N+](=O)[O-])C1 ZINC000430539325 858211101 /nfs/dbraw/zinc/21/11/01/858211101.db2.gz DJCBQGDDXGYAQP-KRWDZBQOSA-N 0 0 408.502 4.246 20 5 HIBDRN COc1ccccc1OCc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000430558256 858217885 /nfs/dbraw/zinc/21/78/85/858217885.db2.gz PLRUNBGUDAGYPE-UHFFFAOYSA-N 0 0 410.426 4.441 20 5 HIBDRN Cc1csc(C2(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])CCCC2)n1 ZINC000430602184 858233800 /nfs/dbraw/zinc/23/38/00/858233800.db2.gz GMALVERWOBDQJE-UHFFFAOYSA-N 0 0 410.293 4.322 20 5 HIBDRN CCOC(=O)c1ccccc1N(CC)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430606693 858234453 /nfs/dbraw/zinc/23/44/53/858234453.db2.gz AAIKYHSRPVFPIR-UHFFFAOYSA-N 0 0 421.247 4.201 20 5 HIBDRN O=C(Nc1c(-c2ccncc2)nc2ccccn21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000430616331 858237429 /nfs/dbraw/zinc/23/74/29/858237429.db2.gz ARYYGAPMMRPTIR-UHFFFAOYSA-N 0 0 414.425 4.131 20 5 HIBDRN O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430628031 858241249 /nfs/dbraw/zinc/24/12/49/858241249.db2.gz NAMOGVZRMHIZEP-MFKMUULPSA-N 0 0 413.630 4.436 20 5 HIBDRN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430630712 858242023 /nfs/dbraw/zinc/24/20/23/858242023.db2.gz SFDWWJAYMWQZMG-HIFRSBDPSA-N 0 0 403.276 4.451 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)cc1OC ZINC000430663181 858256744 /nfs/dbraw/zinc/25/67/44/858256744.db2.gz FQMGEAYEOPJUJR-MPBGBICISA-N 0 0 402.422 4.195 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2c3ccccc3S[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000430669914 858261640 /nfs/dbraw/zinc/26/16/40/858261640.db2.gz SFYKBSZASQNECF-CHWSQXEVSA-N 0 0 400.456 4.301 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000430788736 858305894 /nfs/dbraw/zinc/30/58/94/858305894.db2.gz NGJKKPGVOQQEQO-UHFFFAOYSA-N 0 0 414.849 4.377 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)CN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000430852514 858333852 /nfs/dbraw/zinc/33/38/52/858333852.db2.gz CHSSPCWVPUCXBT-GFCCVEGCSA-N 0 0 407.348 4.139 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000430873542 858349944 /nfs/dbraw/zinc/34/99/44/858349944.db2.gz UMTGORYFVRTBLH-YADHBBJMSA-N 0 0 404.470 4.201 20 5 HIBDRN CC(C)N1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]1c1ccc(Br)cc1 ZINC000430909529 858365742 /nfs/dbraw/zinc/36/57/42/858365742.db2.gz ONWUKKYTPMSDMF-MRXNPFEDSA-N 0 0 418.247 4.276 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000431074531 858435441 /nfs/dbraw/zinc/43/54/41/858435441.db2.gz VKJAZDXLMVLIOR-HXUWFJFHSA-N 0 0 418.515 4.093 20 5 HIBDRN CC(C)(NC(=O)Nc1cc(Cl)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431095890 858445351 /nfs/dbraw/zinc/44/53/51/858445351.db2.gz WZBCEMSKULTOAL-UHFFFAOYSA-N 0 0 418.881 4.142 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000431158114 858477512 /nfs/dbraw/zinc/47/75/12/858477512.db2.gz HTKDHLMJAYJMDX-QGZVFWFLSA-N 0 0 423.238 4.239 20 5 HIBDRN CCO[C@H](C)c1ncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000431178559 858489485 /nfs/dbraw/zinc/48/94/85/858489485.db2.gz ANLTXERSDQRJSI-SECBINFHSA-N 0 0 414.281 4.472 20 5 HIBDRN COCc1ccccc1/C=C(C)/C=C1/CCn2c1nc1ccc([N+](=O)[O-])cc1c2=O ZINC000431179780 858490312 /nfs/dbraw/zinc/49/03/12/858490312.db2.gz MVNSPMTZNFWBHW-GLDUUKHASA-N 0 0 403.438 4.342 20 5 HIBDRN Cc1c(NC(=O)c2cnc(-c3ccncc3)s2)cc(Br)cc1[N+](=O)[O-] ZINC000431181277 858491255 /nfs/dbraw/zinc/49/12/55/858491255.db2.gz JKYBLZNPESFOAI-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN Cc1c(NC(=O)c2ccc(C(F)(F)F)cn2)cc(Br)cc1[N+](=O)[O-] ZINC000431181025 858491267 /nfs/dbraw/zinc/49/12/67/858491267.db2.gz QFSMJDDOFKIOAN-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN Cc1c(NC(=O)c2ccc(-n3ccnc3)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000431184758 858493242 /nfs/dbraw/zinc/49/32/42/858493242.db2.gz VPPAYOLPDCMZSB-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COc1ccc(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1OC ZINC000431226521 858517034 /nfs/dbraw/zinc/51/70/34/858517034.db2.gz SSHCVWDHRFPKRW-UHFFFAOYSA-N 0 0 423.263 4.254 20 5 HIBDRN COc1ccc(NC(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1Cl ZINC000431230082 858519108 /nfs/dbraw/zinc/51/91/08/858519108.db2.gz HNUDTXICWQMXAR-UHFFFAOYSA-N 0 0 415.627 4.037 20 5 HIBDRN CN(C)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1Cl ZINC000437699445 863034473 /nfs/dbraw/zinc/03/44/73/863034473.db2.gz KVOMCVIDQXWNKW-HXUWFJFHSA-N 0 0 416.909 4.225 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000431329187 858568451 /nfs/dbraw/zinc/56/84/51/858568451.db2.gz QOUHMLLUUYZCNP-GTNSWQLSSA-N 0 0 423.238 4.099 20 5 HIBDRN Cc1ccc(SC2(CNC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CCCC2)cc1 ZINC000431375540 858584766 /nfs/dbraw/zinc/58/47/66/858584766.db2.gz KGVAFANKIIGXGE-UHFFFAOYSA-N 0 0 413.499 4.063 20 5 HIBDRN Cc1ccccc1[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000431423928 858608068 /nfs/dbraw/zinc/60/80/68/858608068.db2.gz WRURLZWSHIPACX-IBGZPJMESA-N 0 0 417.893 4.190 20 5 HIBDRN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431438136 858614798 /nfs/dbraw/zinc/61/47/98/858614798.db2.gz HGZFAEPYBKTOAH-QGZVFWFLSA-N 0 0 421.247 4.167 20 5 HIBDRN Cc1c(NC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000431438011 858615112 /nfs/dbraw/zinc/61/51/12/858615112.db2.gz FWXXMWQMORLWQS-UHFFFAOYSA-N 0 0 413.865 4.487 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431464452 858629461 /nfs/dbraw/zinc/62/94/61/858629461.db2.gz JWXLRFAIJYAYTQ-NSHDSACASA-N 0 0 420.263 4.138 20 5 HIBDRN CCCCCc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 ZINC000431527642 858657815 /nfs/dbraw/zinc/65/78/15/858657815.db2.gz FWXVTLMUEAVPCI-UHFFFAOYSA-N 0 0 409.442 4.233 20 5 HIBDRN COc1ccc(N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[C@H](C)C2CC2)cc1 ZINC000431569404 858673079 /nfs/dbraw/zinc/67/30/79/858673079.db2.gz FKCRMMHFUPXCGY-OAHLLOKOSA-N 0 0 421.453 4.362 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000437732133 863061015 /nfs/dbraw/zinc/06/10/15/863061015.db2.gz YYDUDPKFRNPZEG-DNVCBOLYSA-N 0 0 424.906 4.003 20 5 HIBDRN C[C@@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431728603 858767628 /nfs/dbraw/zinc/76/76/28/858767628.db2.gz NXPLIPJZPTZPKZ-VXGBXAGGSA-N 0 0 415.837 4.420 20 5 HIBDRN CC(C)(C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1[N+](=O)[O-] ZINC000431738833 858777568 /nfs/dbraw/zinc/77/75/68/858777568.db2.gz XJTMFFMNGMZMGS-UHFFFAOYSA-N 0 0 407.426 4.034 20 5 HIBDRN CN(C)c1c(Cl)cccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000437733568 863063025 /nfs/dbraw/zinc/06/30/25/863063025.db2.gz GTRBBWYNSAOUBV-UHFFFAOYSA-N 0 0 418.881 4.390 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000431766081 858801568 /nfs/dbraw/zinc/80/15/68/858801568.db2.gz FXKGZEAWXBWFAH-JTQLQIEISA-N 0 0 421.247 4.332 20 5 HIBDRN CC(C)(NC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000431783398 858810123 /nfs/dbraw/zinc/81/01/23/858810123.db2.gz HXUDYBLAJCMCMI-MOPGFXCFSA-N 0 0 401.438 4.189 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)o2)cs1 ZINC000431862755 858843776 /nfs/dbraw/zinc/84/37/76/858843776.db2.gz OXUOGYCKWDKQHF-UHFFFAOYSA-N 0 0 400.460 4.354 20 5 HIBDRN CC(C)(NC(=O)NCc1cccc(NC(=O)C2CCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000431881402 858854024 /nfs/dbraw/zinc/85/40/24/858854024.db2.gz JAWSTJZEQMDTIL-UHFFFAOYSA-N 0 0 410.474 4.068 20 5 HIBDRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccc([N+](=O)[O-])s1 ZINC000431898181 858861111 /nfs/dbraw/zinc/86/11/11/858861111.db2.gz KTMOXPDIQLHOGA-UHFFFAOYSA-N 0 0 421.232 4.253 20 5 HIBDRN CC(C)(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000431900658 858861952 /nfs/dbraw/zinc/86/19/52/858861952.db2.gz JPKKCNIAZAJVRQ-UHFFFAOYSA-N 0 0 403.287 4.256 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(Cc2ccccc2Br)CC1 ZINC000431900912 858861962 /nfs/dbraw/zinc/86/19/62/858861962.db2.gz GYAVHBBMRSTNKD-UHFFFAOYSA-N 0 0 403.276 4.339 20 5 HIBDRN Cc1cc(C)c(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000431954896 858885852 /nfs/dbraw/zinc/88/58/52/858885852.db2.gz OHXOTUSDGHUZRQ-UHFFFAOYSA-N 0 0 407.268 4.208 20 5 HIBDRN COc1ccc(CNC(=O)NCC[C@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000432082999 858976596 /nfs/dbraw/zinc/97/65/96/858976596.db2.gz XMIJJWILXFHCKZ-OAHLLOKOSA-N 0 0 411.380 4.139 20 5 HIBDRN O=C(Nc1c[nH]nc1[C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000432129819 859006238 /nfs/dbraw/zinc/00/62/38/859006238.db2.gz NFAMYOKGKUEFPI-CQSZACIVSA-N 0 0 417.897 4.484 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N(CCO)[C@@H]1CCCSC1 ZINC000432166294 859025950 /nfs/dbraw/zinc/02/59/50/859025950.db2.gz KQGXSLROXUAASK-QGZVFWFLSA-N 0 0 417.487 4.109 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H](Cc3ccc(Br)cc3)C2)s1 ZINC000432178124 859032239 /nfs/dbraw/zinc/03/22/39/859032239.db2.gz RUGGMWHPGQIUBD-LBPRGKRZSA-N 0 0 419.304 4.431 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(OCC(F)(F)F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000432206096 859046491 /nfs/dbraw/zinc/04/64/91/859046491.db2.gz DNMZIGZBYZKDMQ-UHFFFAOYSA-N 0 0 420.347 4.282 20 5 HIBDRN COC(=O)c1ccc(Cl)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000432228849 859057872 /nfs/dbraw/zinc/05/78/72/859057872.db2.gz MXHMDSFJUCFRFR-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c1C ZINC000432289286 859087445 /nfs/dbraw/zinc/08/74/45/859087445.db2.gz NKSHZESULFIHJB-HNNXBMFYSA-N 0 0 414.405 4.457 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c1C ZINC000432306941 859096514 /nfs/dbraw/zinc/09/65/14/859096514.db2.gz KLBZPWZWGYLNKX-AWEZNQCLSA-N 0 0 414.405 4.457 20 5 HIBDRN COc1cc(COc2cc3cnccc3nc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000432308849 859097157 /nfs/dbraw/zinc/09/71/57/859097157.db2.gz XUVAKUVNCGPHBB-UHFFFAOYSA-N 0 0 405.357 4.078 20 5 HIBDRN CCCc1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cnn1-c1cccc(F)c1 ZINC000432315684 859100509 /nfs/dbraw/zinc/10/05/09/859100509.db2.gz RYOLTEBFAIMJCZ-UHFFFAOYSA-N 0 0 412.421 4.198 20 5 HIBDRN COc1cc(N[C@H]2CCCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)cc(OC)c1 ZINC000432324233 859103525 /nfs/dbraw/zinc/10/35/25/859103525.db2.gz GNFVJGRJZQWJIB-HNNXBMFYSA-N 0 0 408.458 4.241 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1O)C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432326383 859104694 /nfs/dbraw/zinc/10/46/94/859104694.db2.gz PAWOISABOMYHFA-UHFFFAOYSA-N 0 0 410.257 4.462 20 5 HIBDRN CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(F)cc1F ZINC000432335019 859107870 /nfs/dbraw/zinc/10/78/70/859107870.db2.gz IPEGMMHAEJSZRP-INIZCTEOSA-N 0 0 401.369 4.068 20 5 HIBDRN O=C(c1cc2sccc2s1)N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432337491 859109258 /nfs/dbraw/zinc/10/92/58/859109258.db2.gz RBOULZUJRFZFSI-UHFFFAOYSA-N 0 0 424.507 4.382 20 5 HIBDRN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000432340297 859110311 /nfs/dbraw/zinc/11/03/11/859110311.db2.gz XZOXUVJYHDDFRU-IAGOWNOFSA-N 0 0 405.454 4.235 20 5 HIBDRN COc1cc(CNc2cccc(-n3cccn3)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000432436799 859163566 /nfs/dbraw/zinc/16/35/66/859163566.db2.gz YHJQKOFIMQNTGI-UHFFFAOYSA-N 0 0 422.363 4.342 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCOC[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000432450282 859169967 /nfs/dbraw/zinc/16/99/67/859169967.db2.gz UQAFPFOZNKONTG-IUODEOHRSA-N 0 0 420.849 4.204 20 5 HIBDRN Cc1cnc(C2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)s1 ZINC000432473927 859181496 /nfs/dbraw/zinc/18/14/96/859181496.db2.gz BNSXQRFGOKUQGH-UHFFFAOYSA-N 0 0 410.293 4.142 20 5 HIBDRN CC(C)Oc1cc(O)ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000432481583 859185677 /nfs/dbraw/zinc/18/56/77/859185677.db2.gz WYMJMQXCQXGOMA-UHFFFAOYSA-N 0 0 402.450 4.286 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000432505051 859198803 /nfs/dbraw/zinc/19/88/03/859198803.db2.gz OADCWTGQYDWOQN-UHFFFAOYSA-N 0 0 415.515 4.122 20 5 HIBDRN COc1ccc(OCCSCc2ncc(Br)s2)c([N+](=O)[O-])c1 ZINC000432509668 859201761 /nfs/dbraw/zinc/20/17/61/859201761.db2.gz NIMSSEACHAGDEU-UHFFFAOYSA-N 0 0 405.295 4.135 20 5 HIBDRN CC(C)C1CCC(N(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 ZINC000432544288 859219089 /nfs/dbraw/zinc/21/90/89/859219089.db2.gz CRMPKVGLFAGCKK-UHFFFAOYSA-N 0 0 417.535 4.161 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432642693 859268854 /nfs/dbraw/zinc/26/88/54/859268854.db2.gz FVRSPNFKDXFAOQ-IRXDYDNUSA-N 0 0 423.238 4.147 20 5 HIBDRN CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)c1ccc2c(c1)OCO2 ZINC000432678300 859287666 /nfs/dbraw/zinc/28/76/66/859287666.db2.gz LYRVEWMFGIXWNS-UHFFFAOYSA-N 0 0 421.247 4.093 20 5 HIBDRN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000432705096 859306164 /nfs/dbraw/zinc/30/61/64/859306164.db2.gz HUZNOQWTBPRBGW-UHFFFAOYSA-N 0 0 410.474 4.196 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2CC(C)(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000432705701 859307332 /nfs/dbraw/zinc/30/73/32/859307332.db2.gz HOKYZQXWDWXYLU-FPOVZHCZSA-N 0 0 421.497 4.047 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC000432733565 859325801 /nfs/dbraw/zinc/32/58/01/859325801.db2.gz GZHUNZHRQXXBBG-UHFFFAOYSA-N 0 0 407.829 4.301 20 5 HIBDRN Cn1nc(C2CCCCC2)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432741687 859330057 /nfs/dbraw/zinc/33/00/57/859330057.db2.gz IUYXEDSRVHZMHW-UHFFFAOYSA-N 0 0 407.268 4.391 20 5 HIBDRN Cc1cnn(-c2ccccc2)c1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432748243 859333880 /nfs/dbraw/zinc/33/38/80/859333880.db2.gz OAMIWATZNGYIGX-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC ZINC000432839271 859381848 /nfs/dbraw/zinc/38/18/48/859381848.db2.gz GXGYGTQHFUAQHF-INIZCTEOSA-N 0 0 406.385 4.258 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000432849206 859387792 /nfs/dbraw/zinc/38/77/92/859387792.db2.gz ZVDHRFSXNWJMTD-FQEVSTJZSA-N 0 0 412.396 4.426 20 5 HIBDRN COc1cc(C(=O)Nc2c(C)cc(C)cc2Br)c([N+](=O)[O-])cc1OC ZINC000432864730 859395996 /nfs/dbraw/zinc/39/59/96/859395996.db2.gz MTLPCVMABUKUDA-UHFFFAOYSA-N 0 0 409.236 4.244 20 5 HIBDRN COc1cc(OCC(=O)Nc2c(C)cc(C)cc2Br)ccc1[N+](=O)[O-] ZINC000432872651 859400742 /nfs/dbraw/zinc/40/07/42/859400742.db2.gz NNRFYEOMABWXQT-UHFFFAOYSA-N 0 0 409.236 4.000 20 5 HIBDRN CC(C)(NC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000432910901 859425764 /nfs/dbraw/zinc/42/57/64/859425764.db2.gz GKRBVMMVYLJIHH-UHFFFAOYSA-N 0 0 416.865 4.197 20 5 HIBDRN O=C(c1cc2ccccc2s1)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000432925456 859433642 /nfs/dbraw/zinc/43/36/42/859433642.db2.gz CFLOHHIDVJROAH-UHFFFAOYSA-N 0 0 418.478 4.320 20 5 HIBDRN COc1cc(CN[C@@H](c2ccccc2)C(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000433038766 859494059 /nfs/dbraw/zinc/49/40/59/859494059.db2.gz ITBBSYXFLGTCRG-KRWDZBQOSA-N 0 0 402.344 4.343 20 5 HIBDRN C[C@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@]1=O ZINC000433052409 859501967 /nfs/dbraw/zinc/50/19/67/859501967.db2.gz MFTOKKPDVCBZEM-PGGUUEOZSA-N 0 0 408.907 4.383 20 5 HIBDRN CC1(C)C[C@H](NCc2nnc3ccc(C(F)(F)F)cn32)c2cc([N+](=O)[O-])ccc21 ZINC000433171521 859552999 /nfs/dbraw/zinc/55/29/99/859552999.db2.gz DVSSSZCZRTWGMF-HNNXBMFYSA-N 0 0 405.380 4.169 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(F)c(Cl)c1 ZINC000433254552 859594634 /nfs/dbraw/zinc/59/46/34/859594634.db2.gz YEASPPVHYDJQLA-SNVBAGLBSA-N 0 0 400.237 4.500 20 5 HIBDRN COc1cc(CN[C@@H](c2ccccc2)C2(CO)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000433307243 859628610 /nfs/dbraw/zinc/62/86/10/859628610.db2.gz UICFYXJPPJAVNI-IBGZPJMESA-N 0 0 422.428 4.198 20 5 HIBDRN Cc1cnc(C2CCN(C(=O)NCCCNc3ccc(C)cc3[N+](=O)[O-])CC2)s1 ZINC000433398203 859677720 /nfs/dbraw/zinc/67/77/20/859677720.db2.gz DMRIYJBHZNKPKY-UHFFFAOYSA-N 0 0 417.535 4.059 20 5 HIBDRN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000433545627 859767825 /nfs/dbraw/zinc/76/78/25/859767825.db2.gz SVLJCMATKIAKOV-MZNJEOGPSA-N 0 0 412.489 4.005 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl ZINC000433574029 859787702 /nfs/dbraw/zinc/78/77/02/859787702.db2.gz ZICYRJFQHRWCLN-UHFFFAOYSA-N 0 0 420.830 4.267 20 5 HIBDRN Cc1cc(NC(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)ccc1[N+](=O)[O-] ZINC000433590588 859800078 /nfs/dbraw/zinc/80/00/78/859800078.db2.gz KKIQGSQMSXXRBD-UHFFFAOYSA-N 0 0 424.482 4.108 20 5 HIBDRN COc1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl ZINC000433627688 859816567 /nfs/dbraw/zinc/81/65/67/859816567.db2.gz CRUHABMPTSNOII-UHFFFAOYSA-N 0 0 405.838 4.332 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)c1[N+](=O)[O-] ZINC000433671537 859833524 /nfs/dbraw/zinc/83/35/24/859833524.db2.gz WMSUOQVZWNBHSB-UHFFFAOYSA-N 0 0 412.421 4.089 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N(Cc2cccc(Br)c2)C2CC2)c1[N+](=O)[O-] ZINC000433698696 859842422 /nfs/dbraw/zinc/84/24/22/859842422.db2.gz YRBYXBJLVCRCIW-UHFFFAOYSA-N 0 0 407.268 4.009 20 5 HIBDRN COc1ccccc1Oc1ccc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000433765267 859883201 /nfs/dbraw/zinc/88/32/01/859883201.db2.gz JTPGFHYLSDYSFO-UHFFFAOYSA-N 0 0 410.430 4.172 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000433843816 859929106 /nfs/dbraw/zinc/92/91/06/859929106.db2.gz WLXARNOQTCVWFC-UHFFFAOYSA-N 0 0 424.505 4.316 20 5 HIBDRN O=C1[C@H](N2CCC[C@H]2c2nc3ccccc3s2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000433955990 860000073 /nfs/dbraw/zinc/00/00/73/860000073.db2.gz AEFHXAWEBPFZOL-ZWKOTPCHSA-N 0 0 408.483 4.147 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000433980428 860014121 /nfs/dbraw/zinc/01/41/21/860014121.db2.gz IMCGWSXTAPJCDJ-CVEARBPZSA-N 0 0 417.893 4.048 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCC2(c3ccc(Br)cc3)CCC2)c1[N+](=O)[O-] ZINC000433990630 860020645 /nfs/dbraw/zinc/02/06/45/860020645.db2.gz QHFXGQLNTHXMBA-UHFFFAOYSA-N 0 0 421.295 4.056 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000433994134 860024991 /nfs/dbraw/zinc/02/49/91/860024991.db2.gz QMVFIZFTANDHAG-GFCCVEGCSA-N 0 0 424.320 4.065 20 5 HIBDRN COc1ccc(CSCC(=O)NCc2cc(F)c(Cl)cc2F)cc1[N+](=O)[O-] ZINC000434001437 860030638 /nfs/dbraw/zinc/03/06/38/860030638.db2.gz CUFPJJQFFUNHSK-UHFFFAOYSA-N 0 0 416.833 4.085 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)Cc2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000434012302 860039835 /nfs/dbraw/zinc/03/98/35/860039835.db2.gz PNNNMUMOTZOUPC-UHFFFAOYSA-N 0 0 412.870 4.288 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(OCC2CCCC2)CC1 ZINC000434159444 860155050 /nfs/dbraw/zinc/15/50/50/860155050.db2.gz YWMPPWRAZYAPRS-UHFFFAOYSA-N 0 0 411.296 4.169 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000434194538 860181135 /nfs/dbraw/zinc/18/11/35/860181135.db2.gz RPCHOVALCGCAQE-IBGZPJMESA-N 0 0 408.458 4.278 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000434243931 860225380 /nfs/dbraw/zinc/22/53/80/860225380.db2.gz QAEOLSBVCHGILY-GXTWGEPZSA-N 0 0 406.385 4.223 20 5 HIBDRN COc1cc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000434246095 860226753 /nfs/dbraw/zinc/22/67/53/860226753.db2.gz PWMNILGYAKCBRS-UHFFFAOYSA-N 0 0 420.412 4.475 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000434250895 860230046 /nfs/dbraw/zinc/23/00/46/860230046.db2.gz SVOOELGBHKQCDR-MAUKXSAKSA-N 0 0 400.500 4.241 20 5 HIBDRN C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000434257961 860234710 /nfs/dbraw/zinc/23/47/10/860234710.db2.gz BOARQUNOQRBIED-HSZRJFAPSA-N 0 0 404.470 4.266 20 5 HIBDRN CC(C)(c1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1)C(F)(F)F ZINC000434276499 860246926 /nfs/dbraw/zinc/24/69/26/860246926.db2.gz VORZXLHFCYJSKS-UHFFFAOYSA-N 0 0 408.376 4.338 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(c3c[nH]cn3)CC2)cc1 ZINC000434301978 860264815 /nfs/dbraw/zinc/26/48/15/860264815.db2.gz SLGDPGLSIQGEMC-UHFFFAOYSA-N 0 0 422.441 4.139 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)c1[N+](=O)[O-] ZINC000434380117 860324229 /nfs/dbraw/zinc/32/42/29/860324229.db2.gz PKFVCSNUYDDLTE-UHFFFAOYSA-N 0 0 419.279 4.286 20 5 HIBDRN Cc1nc(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])no1 ZINC000467727884 881528520 /nfs/dbraw/zinc/52/85/20/881528520.db2.gz KNCHBPBRPAPIMX-UHFFFAOYSA-N 0 0 404.835 4.021 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H]1CCc1ccccc1 ZINC000434911578 860550724 /nfs/dbraw/zinc/55/07/24/860550724.db2.gz CXZQNKHIMXNVER-SFHVURJKSA-N 0 0 405.454 4.146 20 5 HIBDRN COc1cc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(OC)c(C)c1OC ZINC000434964078 860577046 /nfs/dbraw/zinc/57/70/46/860577046.db2.gz OTEMAROUEGHZRD-UHFFFAOYSA-N 0 0 417.462 4.073 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1[C@H]1C[C@H](C)CC[C@@H]1O ZINC000467749719 881555343 /nfs/dbraw/zinc/55/53/43/881555343.db2.gz QPFSMOINKAZTMU-JZGRTCEGSA-N 0 0 406.548 4.497 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 ZINC000435060663 860621693 /nfs/dbraw/zinc/62/16/93/860621693.db2.gz URDRWUURFOHZFS-UHFFFAOYSA-N 0 0 422.407 4.094 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(I)c(F)cc2F)cc1[N+](=O)[O-] ZINC000435161643 860671796 /nfs/dbraw/zinc/67/17/96/860671796.db2.gz UCIGXHSYSBKIDX-UHFFFAOYSA-N 0 0 418.137 4.038 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(F)c(F)cc1Br ZINC000435259488 860706939 /nfs/dbraw/zinc/70/69/39/860706939.db2.gz XVQOCWVSVKSRMY-UHFFFAOYSA-N 0 0 403.204 4.366 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(F)c(F)cc1Br ZINC000435263275 860707597 /nfs/dbraw/zinc/70/75/97/860707597.db2.gz AIIIUPNUTJXUCO-UHFFFAOYSA-N 0 0 405.582 4.470 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435301398 860727499 /nfs/dbraw/zinc/72/74/99/860727499.db2.gz YDPZTYRNFGPGAM-IBGZPJMESA-N 0 0 419.485 4.107 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435301399 860727718 /nfs/dbraw/zinc/72/77/18/860727718.db2.gz YDPZTYRNFGPGAM-LJQANCHMSA-N 0 0 419.485 4.107 20 5 HIBDRN Cc1c(NC(=O)N(C[C@H](C)O)C2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435322576 860734280 /nfs/dbraw/zinc/73/42/80/860734280.db2.gz DYZXHTNBTUUDCB-NSHDSACASA-N 0 0 414.300 4.213 20 5 HIBDRN Cc1c(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435324410 860735784 /nfs/dbraw/zinc/73/57/84/860735784.db2.gz WJHDNAYLBXAYRG-VIFPVBQESA-N 0 0 410.190 4.472 20 5 HIBDRN Cc1c(NC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000435326206 860737535 /nfs/dbraw/zinc/73/75/35/860737535.db2.gz CBFMPDFSIYSFRZ-NSHDSACASA-N 0 0 422.279 4.466 20 5 HIBDRN Cc1c(NC(=O)NCCCCNc2ccccn2)cc(Br)cc1[N+](=O)[O-] ZINC000435327869 860739162 /nfs/dbraw/zinc/73/91/62/860739162.db2.gz JDSBTSGMHPRELZ-UHFFFAOYSA-N 0 0 422.283 4.075 20 5 HIBDRN CCC[C@@]1(COC)CCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435328395 860739773 /nfs/dbraw/zinc/73/97/73/860739773.db2.gz KWGLIYRLNWAMIC-KRWDZBQOSA-N 0 0 414.300 4.479 20 5 HIBDRN Cc1nc(C)c(CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000435328611 860739978 /nfs/dbraw/zinc/73/99/78/860739978.db2.gz MAKMSIDXVWVHQP-UHFFFAOYSA-N 0 0 413.297 4.103 20 5 HIBDRN Cc1c(NC(=O)NCCC[C@@H]2CCCC[C@@H]2O)cc(Br)cc1[N+](=O)[O-] ZINC000435328976 860740701 /nfs/dbraw/zinc/74/07/01/860740701.db2.gz NTRVYJNTHZMRPU-LRDDRELGSA-N 0 0 414.300 4.119 20 5 HIBDRN CS[C@H]1CCCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435329443 860740884 /nfs/dbraw/zinc/74/08/84/860740884.db2.gz PIXXPFKEXRIECU-LBPRGKRZSA-N 0 0 402.314 4.415 20 5 HIBDRN COc1ccc(OC)c(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000435330971 860742183 /nfs/dbraw/zinc/74/21/83/860742183.db2.gz XUCRAKNVCKMXDV-UHFFFAOYSA-N 0 0 424.251 4.005 20 5 HIBDRN CO[C@]1(C)CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000435331510 860742274 /nfs/dbraw/zinc/74/22/74/860742274.db2.gz HRDHUIGNPQGPDS-MRXNPFEDSA-N 0 0 400.273 4.089 20 5 HIBDRN Cc1c(NC(=O)NCCSCC(F)(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000435334564 860745578 /nfs/dbraw/zinc/74/55/78/860745578.db2.gz ZMFFRSOZPOCDEP-UHFFFAOYSA-N 0 0 416.219 4.083 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCCc1cc(Cl)ccc1Br ZINC000435347276 860751605 /nfs/dbraw/zinc/75/16/05/860751605.db2.gz YTAYNOXSSTWVIE-UHFFFAOYSA-N 0 0 411.683 4.302 20 5 HIBDRN COc1cc(CCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl ZINC000435354449 860755608 /nfs/dbraw/zinc/75/56/08/860755608.db2.gz MHXZASBCCKLETL-UHFFFAOYSA-N 0 0 418.877 4.259 20 5 HIBDRN Cc1cc(OCC(=O)N[C@@H](c2ccccc2)c2ccc3[nH]cnc3c2)ccc1[N+](=O)[O-] ZINC000435409056 860790047 /nfs/dbraw/zinc/79/00/47/860790047.db2.gz ASFQZAQHXPDBGR-QHCPKHFHSA-N 0 0 416.437 4.064 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2nccn2CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000435419655 860794367 /nfs/dbraw/zinc/79/43/67/860794367.db2.gz YIVRAHKGLVBINL-GOSISDBHSA-N 0 0 421.501 4.293 20 5 HIBDRN COC(=O)CSCCC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435451590 860803356 /nfs/dbraw/zinc/80/33/56/860803356.db2.gz KKCRZCFQOBCRJS-UHFFFAOYSA-N 0 0 412.514 4.042 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCCC[C@H]2Oc2cccc(C)c2)cc([N+](=O)[O-])c1OC ZINC000435451638 860803369 /nfs/dbraw/zinc/80/33/69/860803369.db2.gz KOXHHMLFTMBMQM-IEBWSBKVSA-N 0 0 414.458 4.040 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1ccnc(-n2cncn2)c1 ZINC000435454440 860804865 /nfs/dbraw/zinc/80/48/65/860804865.db2.gz YPJQNVFWQOBXIM-UHFFFAOYSA-N 0 0 424.467 4.036 20 5 HIBDRN CCN(CC(C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435484050 860815709 /nfs/dbraw/zinc/81/57/09/860815709.db2.gz VAIHQBVLIFFVGB-UHFFFAOYSA-N 0 0 407.517 4.251 20 5 HIBDRN CN(CC1CCC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435497262 860823062 /nfs/dbraw/zinc/82/30/62/860823062.db2.gz OJOVZRIOSODACQ-UHFFFAOYSA-N 0 0 405.501 4.005 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000435523826 860840108 /nfs/dbraw/zinc/84/01/08/860840108.db2.gz XNYPPOWYLGPWIY-HXUWFJFHSA-N 0 0 410.401 4.271 20 5 HIBDRN COc1cccc(C(=O)NC2(c3ccc(Br)cc3)CCC2)c1[N+](=O)[O-] ZINC000435527983 860843517 /nfs/dbraw/zinc/84/35/17/860843517.db2.gz UKUVDMMMGQUXTD-UHFFFAOYSA-N 0 0 405.248 4.175 20 5 HIBDRN Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000435534215 860849389 /nfs/dbraw/zinc/84/93/89/860849389.db2.gz LYPHWUVVAZIUKD-UHFFFAOYSA-N 0 0 405.454 4.388 20 5 HIBDRN COc1cccc(C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000435561085 860881210 /nfs/dbraw/zinc/88/12/10/860881210.db2.gz QZWWNSZXVPZIGL-UHFFFAOYSA-N 0 0 401.419 4.354 20 5 HIBDRN CS(=O)(=O)c1ccc(N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC000435586727 860897643 /nfs/dbraw/zinc/89/76/43/860897643.db2.gz CCDQVPCIOKQGMR-MQMHXKEQSA-N 0 0 414.405 4.375 20 5 HIBDRN COc1ccc(CN(Cc2ccccc2)C(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000435614385 860917162 /nfs/dbraw/zinc/91/71/62/860917162.db2.gz MOGRPAGPEDWXLA-UHFFFAOYSA-N 0 0 406.438 4.455 20 5 HIBDRN COc1cccc(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)c1[N+](=O)[O-] ZINC000435618797 860922705 /nfs/dbraw/zinc/92/27/05/860922705.db2.gz UVVCWTHROFNWKU-UHFFFAOYSA-N 0 0 410.401 4.252 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)c1[N+](=O)[O-] ZINC000435663889 860942379 /nfs/dbraw/zinc/94/23/79/860942379.db2.gz PKIFTRAMYDBMAP-UHFFFAOYSA-N 0 0 402.410 4.479 20 5 HIBDRN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccco2)c1[N+](=O)[O-] ZINC000435664255 860943896 /nfs/dbraw/zinc/94/38/96/860943896.db2.gz LVZNCKUUJYMQOZ-UHFFFAOYSA-N 0 0 406.350 4.426 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1CCOC[C@H]1C ZINC000435669194 860948347 /nfs/dbraw/zinc/94/83/47/860948347.db2.gz JETCCFBGLLSQHW-DOMZBBRYSA-N 0 0 418.471 4.111 20 5 HIBDRN CCOC(=O)c1cc(N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)ccc1[N+](=O)[O-] ZINC000467784034 881604072 /nfs/dbraw/zinc/60/40/72/881604072.db2.gz GHGHNGXDHWOCBS-XIKOKIGWSA-N 0 0 413.430 4.054 20 5 HIBDRN CCOC(=O)c1cc(N[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)ccc1[N+](=O)[O-] ZINC000467784032 881604824 /nfs/dbraw/zinc/60/48/24/881604824.db2.gz GHGHNGXDHWOCBS-KZULUSFZSA-N 0 0 413.430 4.054 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(CCc1ccccn1)Cc1ccncc1 ZINC000435778117 861053177 /nfs/dbraw/zinc/05/31/77/861053177.db2.gz LHDYPCPCYGASHU-UHFFFAOYSA-N 0 0 411.849 4.315 20 5 HIBDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435814181 861078905 /nfs/dbraw/zinc/07/89/05/861078905.db2.gz RCBIXUQSLKNJPN-MRXNPFEDSA-N 0 0 423.476 4.095 20 5 HIBDRN COc1cccc(C(=O)Nc2nc3ccccc3n2-c2ccccc2F)c1[N+](=O)[O-] ZINC000435814419 861079267 /nfs/dbraw/zinc/07/92/67/861079267.db2.gz VDOYXNHBMFXUGE-UHFFFAOYSA-N 0 0 406.373 4.334 20 5 HIBDRN O=C(NCCc1c[nH]c2ccccc12)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435829095 861092991 /nfs/dbraw/zinc/09/29/91/861092991.db2.gz WJJXZEQFBRPHNW-UHFFFAOYSA-N 0 0 417.415 4.413 20 5 HIBDRN CC[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435829024 861093362 /nfs/dbraw/zinc/09/33/62/861093362.db2.gz XXDLWNBLNRVIDO-LBPRGKRZSA-N 0 0 405.501 4.005 20 5 HIBDRN COc1ccc(C)cc1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435830152 861093570 /nfs/dbraw/zinc/09/35/70/861093570.db2.gz BOQZXERTRHKKLL-UHFFFAOYSA-N 0 0 422.431 4.249 20 5 HIBDRN C[C@@H]1C[C@@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435832784 861095425 /nfs/dbraw/zinc/09/54/25/861095425.db2.gz CSHWUKFOESOSRX-VXGBXAGGSA-N 0 0 405.501 4.003 20 5 HIBDRN COc1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc(OC)c1 ZINC000435832192 861095706 /nfs/dbraw/zinc/09/57/06/861095706.db2.gz ZRXMEQXKJVLBKX-UHFFFAOYSA-N 0 0 410.376 4.229 20 5 HIBDRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000435832915 861096610 /nfs/dbraw/zinc/09/66/10/861096610.db2.gz BVMRPYXFCGKDMF-CQSZACIVSA-N 0 0 402.450 4.190 20 5 HIBDRN O=C(NCCOc1ccc(Cl)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435837118 861098985 /nfs/dbraw/zinc/09/89/85/861098985.db2.gz UDDSWIWQVHGRLH-UHFFFAOYSA-N 0 0 410.832 4.283 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCC2(CCC2)C1 ZINC000435845134 861104773 /nfs/dbraw/zinc/10/47/73/861104773.db2.gz KXWVVIGDKTYCKV-UHFFFAOYSA-N 0 0 417.512 4.149 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(CSC3CCOCC3)c2)c1[N+](=O)[O-] ZINC000435867363 861127918 /nfs/dbraw/zinc/12/79/18/861127918.db2.gz MDQFFEACSIIGLB-UHFFFAOYSA-N 0 0 402.472 4.268 20 5 HIBDRN COc1cccc(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000435875020 861134263 /nfs/dbraw/zinc/13/42/63/861134263.db2.gz PUYRSCRGBTXQRN-QGZVFWFLSA-N 0 0 417.893 4.041 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1c(F)cc(Br)cc1Cl ZINC000435892961 861149819 /nfs/dbraw/zinc/14/98/19/861149819.db2.gz NEYWMKFBSMTLSB-UHFFFAOYSA-N 0 0 423.647 4.092 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000435901930 861159290 /nfs/dbraw/zinc/15/92/90/861159290.db2.gz LMZWUCVDDSFAFF-UHFFFAOYSA-N 0 0 409.364 4.057 20 5 HIBDRN CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000467800034 881623255 /nfs/dbraw/zinc/62/32/55/881623255.db2.gz VQLNVQOWXQTFBP-ZBFHGGJFSA-N 0 0 408.907 4.453 20 5 HIBDRN CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000467799931 881623266 /nfs/dbraw/zinc/62/32/66/881623266.db2.gz VQLNVQOWXQTFBP-GDBMZVCRSA-N 0 0 408.907 4.453 20 5 HIBDRN O=C(NCc1c(F)cc(F)c(F)c1F)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435918849 861178942 /nfs/dbraw/zinc/17/89/42/861178942.db2.gz UHJNOAAQZHWCFS-UHFFFAOYSA-N 0 0 418.321 4.307 20 5 HIBDRN Cc1c(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cnn1-c1cc(C)ccc1C ZINC000437799023 863118538 /nfs/dbraw/zinc/11/85/38/863118538.db2.gz KYZPVULXNDIKTN-UHFFFAOYSA-N 0 0 405.458 4.296 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000437893430 863260307 /nfs/dbraw/zinc/26/03/07/863260307.db2.gz DDCCYHNLIRUPMB-VQTJNVASSA-N 0 0 415.877 4.357 20 5 HIBDRN O=C(NCc1cccc(OCC(F)(F)F)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437921743 863298456 /nfs/dbraw/zinc/29/84/56/863298456.db2.gz VLGDOGHIWJNVAP-UHFFFAOYSA-N 0 0 423.391 4.410 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(-n2cccn2)cc1 ZINC000437968319 863337932 /nfs/dbraw/zinc/33/79/32/863337932.db2.gz GTIWHZWPFYTOMY-INIZCTEOSA-N 0 0 405.458 4.216 20 5 HIBDRN O=C(NCc1ccc(Br)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437990871 863354480 /nfs/dbraw/zinc/35/44/80/863354480.db2.gz XZXPLEPTKWEVAY-UHFFFAOYSA-N 0 0 404.264 4.232 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1nc(Cc2ccccc2)no1 ZINC000437992680 863354637 /nfs/dbraw/zinc/35/46/37/863354637.db2.gz BMYIEBWOKQHDHT-HNNXBMFYSA-N 0 0 421.457 4.004 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(CCC(F)(F)F)CC1CC1 ZINC000438148878 863567820 /nfs/dbraw/zinc/56/78/20/863567820.db2.gz FSDHXQRYPDUPDN-UHFFFAOYSA-N 0 0 402.416 4.346 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC(c2nc3ccccc3s2)C1 ZINC000438203408 863632868 /nfs/dbraw/zinc/63/28/68/863632868.db2.gz VJSMSUGTTPAJBB-UHFFFAOYSA-N 0 0 407.373 4.463 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N(CCc2ccccn2)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000438284728 863757721 /nfs/dbraw/zinc/75/77/21/863757721.db2.gz ZQBPDHRIZURIAS-SFHVURJKSA-N 0 0 419.485 4.209 20 5 HIBDRN CN(C)c1ccc(Cl)cc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438346585 863816280 /nfs/dbraw/zinc/81/62/80/863816280.db2.gz DGOSWLZQQPNXGI-UHFFFAOYSA-N 0 0 418.881 4.390 20 5 HIBDRN CN(C)C(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1F ZINC000438415998 863856125 /nfs/dbraw/zinc/85/61/25/863856125.db2.gz CNILNHICOASENL-UHFFFAOYSA-N 0 0 423.400 4.480 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438445226 863870563 /nfs/dbraw/zinc/87/05/63/863870563.db2.gz RJTOCVOEJJPFJZ-RZDIXWSQSA-N 0 0 401.413 4.493 20 5 HIBDRN O=C(Nc1c(F)cccc1Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438453694 863877288 /nfs/dbraw/zinc/87/72/88/863877288.db2.gz ZYTMQGOTLRMXDN-UHFFFAOYSA-N 0 0 422.254 4.352 20 5 HIBDRN CC(C)c1nnc2ccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cn21 ZINC000438488842 863906277 /nfs/dbraw/zinc/90/62/77/863906277.db2.gz DYTBBAKCJKZOGW-UHFFFAOYSA-N 0 0 405.867 4.145 20 5 HIBDRN CC(C)COc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000438488311 863907099 /nfs/dbraw/zinc/90/70/99/863907099.db2.gz KUNHQKSXAJAWPF-UHFFFAOYSA-N 0 0 414.462 4.100 20 5 HIBDRN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438511829 863935937 /nfs/dbraw/zinc/93/59/37/863935937.db2.gz LFZUDJURRKZOEA-GDBMZVCRSA-N 0 0 413.440 4.296 20 5 HIBDRN COc1ccc(CC(C)(C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000438533596 863959513 /nfs/dbraw/zinc/95/95/13/863959513.db2.gz GVMDPHUGGJMSEV-UHFFFAOYSA-N 0 0 421.291 4.046 20 5 HIBDRN CC1(C)CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[C@@H]1O ZINC000438539110 863966161 /nfs/dbraw/zinc/96/61/61/863966161.db2.gz WPFQXXOEZJZPOU-SFHVURJKSA-N 0 0 404.850 4.274 20 5 HIBDRN O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467862244 881715355 /nfs/dbraw/zinc/71/53/55/881715355.db2.gz JWKOXEIQNCBGKK-UHFFFAOYSA-N 0 0 414.824 4.249 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000438652630 864094875 /nfs/dbraw/zinc/09/48/75/864094875.db2.gz XRWVVZLIXSXVMH-UHFFFAOYSA-N 0 0 413.474 4.148 20 5 HIBDRN Cc1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1C(F)(F)F ZINC000438652708 864095125 /nfs/dbraw/zinc/09/51/25/864095125.db2.gz YFYTZYFGZUBRQM-UHFFFAOYSA-N 0 0 423.391 4.298 20 5 HIBDRN O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000438684695 864151041 /nfs/dbraw/zinc/15/10/41/864151041.db2.gz KTRBKJVPJRTIRH-GJZGRUSLSA-N 0 0 403.276 4.499 20 5 HIBDRN O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000438686107 864152789 /nfs/dbraw/zinc/15/27/89/864152789.db2.gz BYAUEZSITHOTDV-GOEBONIOSA-N 0 0 403.276 4.499 20 5 HIBDRN COc1cc(C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)cc([N+](=O)[O-])c1OC ZINC000467874705 881735868 /nfs/dbraw/zinc/73/58/68/881735868.db2.gz MMISEDBRNSDODB-UHFFFAOYSA-N 0 0 408.813 4.081 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)Nc3c(C)ccn(C)c3=O)cc2[N+](=O)[O-])cc1 ZINC000467883143 881743853 /nfs/dbraw/zinc/74/38/53/881743853.db2.gz MIJPALGVOKFELT-UHFFFAOYSA-N 0 0 409.467 4.314 20 5 HIBDRN O=C1CCN1c1cccc(-c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)c1 ZINC000438823767 864317607 /nfs/dbraw/zinc/31/76/07/864317607.db2.gz LRVZVLODFLNRQC-UHFFFAOYSA-N 0 0 404.304 4.067 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000438892988 864375276 /nfs/dbraw/zinc/37/52/76/864375276.db2.gz HGIYHHREIPZPAG-UHFFFAOYSA-N 0 0 417.465 4.290 20 5 HIBDRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000438895430 864378162 /nfs/dbraw/zinc/37/81/62/864378162.db2.gz KDKMIVVTDXYIDQ-INIZCTEOSA-N 0 0 412.490 4.197 20 5 HIBDRN COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1OCc1cccnc1 ZINC000438895363 864378266 /nfs/dbraw/zinc/37/82/66/864378266.db2.gz NEKAUIHWMVGYBH-UHFFFAOYSA-N 0 0 407.426 4.067 20 5 HIBDRN Cc1c(CC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] ZINC000438928230 864408079 /nfs/dbraw/zinc/40/80/79/864408079.db2.gz FLGIBISHVPVGPU-LBPRGKRZSA-N 0 0 400.822 4.027 20 5 HIBDRN Cc1c(CC(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cccc1[N+](=O)[O-] ZINC000438935940 864413495 /nfs/dbraw/zinc/41/34/95/864413495.db2.gz UHBJLZICGSGMFD-OAQYLSRUSA-N 0 0 410.861 4.137 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1 ZINC000438952199 864423734 /nfs/dbraw/zinc/42/37/34/864423734.db2.gz XIKRGHLRHACHPK-UHFFFAOYSA-N 0 0 421.734 4.483 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000438951944 864423872 /nfs/dbraw/zinc/42/38/72/864423872.db2.gz KGGNFCJXUDPWEB-SFHVURJKSA-N 0 0 419.268 4.463 20 5 HIBDRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000438965400 864432857 /nfs/dbraw/zinc/43/28/57/864432857.db2.gz JBQPHDWWRCGSBP-ZDUSSCGKSA-N 0 0 410.430 4.268 20 5 HIBDRN Cc1c(CC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] ZINC000438976198 864439513 /nfs/dbraw/zinc/43/95/13/864439513.db2.gz PWXHPOFZSMAKIF-UHFFFAOYSA-N 0 0 421.428 4.154 20 5 HIBDRN Cc1c(CC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cccc1[N+](=O)[O-] ZINC000439009467 864462037 /nfs/dbraw/zinc/46/20/37/864462037.db2.gz XDDIBIFXNLMXRK-UHFFFAOYSA-N 0 0 422.466 4.093 20 5 HIBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c(OCc2ccccc2)c1 ZINC000439021367 864475950 /nfs/dbraw/zinc/47/59/50/864475950.db2.gz MPRJTWZVJHQWHQ-UHFFFAOYSA-N 0 0 408.410 4.443 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439087076 864533144 /nfs/dbraw/zinc/53/31/44/864533144.db2.gz RJYAHYOXTINPMM-OLZOCXBDSA-N 0 0 406.280 4.158 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000439104276 864542049 /nfs/dbraw/zinc/54/20/49/864542049.db2.gz AURAAMUSUMXNMS-UHFFFAOYSA-N 0 0 416.648 4.232 20 5 HIBDRN CCCN(C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000439104427 864542228 /nfs/dbraw/zinc/54/22/28/864542228.db2.gz CPYBXNLQZWGKBX-CQSZACIVSA-N 0 0 403.866 4.436 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000439108855 864545954 /nfs/dbraw/zinc/54/59/54/864545954.db2.gz FOICDXHKBGRZLE-LLVKDONJSA-N 0 0 408.838 4.073 20 5 HIBDRN CC(C)c1ccc(C(=O)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000439117314 864553934 /nfs/dbraw/zinc/55/39/34/864553934.db2.gz SHALTWADGFULBO-INIZCTEOSA-N 0 0 424.501 4.075 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000439119267 864555631 /nfs/dbraw/zinc/55/56/31/864555631.db2.gz QOQYEKJZXVHQSL-UHFFFAOYSA-N 0 0 424.844 4.134 20 5 HIBDRN C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000439137237 864569415 /nfs/dbraw/zinc/56/94/15/864569415.db2.gz RVSVCRGHUWMWRS-NSHDSACASA-N 0 0 400.378 4.144 20 5 HIBDRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])ccc2NC1=O ZINC000439145962 864577956 /nfs/dbraw/zinc/57/79/56/864577956.db2.gz GMUBTSYVXJARMW-BDJLRTHQSA-N 0 0 417.849 4.157 20 5 HIBDRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])ccc2NC1=O ZINC000439145964 864578263 /nfs/dbraw/zinc/57/82/63/864578263.db2.gz GMUBTSYVXJARMW-MEDUHNTESA-N 0 0 417.849 4.157 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000439148045 864579415 /nfs/dbraw/zinc/57/94/15/864579415.db2.gz QEXFSRAOUBVYJD-GASCZTMLSA-N 0 0 417.893 4.418 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000439148046 864579489 /nfs/dbraw/zinc/57/94/89/864579489.db2.gz QEXFSRAOUBVYJD-GJZGRUSLSA-N 0 0 417.893 4.418 20 5 HIBDRN CCOC(=O)c1csc(N(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000439154219 864586339 /nfs/dbraw/zinc/58/63/39/864586339.db2.gz LOTQPOKQYBBWAE-UHFFFAOYSA-N 0 0 403.460 4.161 20 5 HIBDRN CCN(C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccccc1S(=O)(=O)CC ZINC000439160878 864592440 /nfs/dbraw/zinc/59/24/40/864592440.db2.gz WCCJFXYEQMDWBK-UHFFFAOYSA-N 0 0 410.879 4.017 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000439170704 864599392 /nfs/dbraw/zinc/59/93/92/864599392.db2.gz OJMSDWIUXJCBIM-AWEZNQCLSA-N 0 0 411.241 4.244 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000439173898 864602654 /nfs/dbraw/zinc/60/26/54/864602654.db2.gz VFENBEMNJDDVTO-GFCCVEGCSA-N 0 0 400.822 4.021 20 5 HIBDRN Cc1cc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439177691 864606090 /nfs/dbraw/zinc/60/60/90/864606090.db2.gz MDSACYCDDGIAHN-NZQKXSOJSA-N 0 0 402.454 4.322 20 5 HIBDRN O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000439205608 864629625 /nfs/dbraw/zinc/62/96/25/864629625.db2.gz 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CC[C@@]1(c2ccc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)cc2)CCC(=O)NC1=O ZINC000439472626 864843617 /nfs/dbraw/zinc/84/36/17/864843617.db2.gz SQVBBRCKWCRHLH-QHCPKHFHSA-N 0 0 423.469 4.055 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCc4c5cccc(F)c5[nH]c4C3)o2)cc1 ZINC000439481254 864846537 /nfs/dbraw/zinc/84/65/37/864846537.db2.gz YNXHFTMFYVOXMM-UHFFFAOYSA-N 0 0 407.405 4.214 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)Nc2c(F)cccc2Br)cc1[N+](=O)[O-] ZINC000439621110 864945157 /nfs/dbraw/zinc/94/51/57/864945157.db2.gz XJMRZVPVDKMFEU-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc(Oc2ccccn2)c1 ZINC000439670222 865002864 /nfs/dbraw/zinc/00/28/64/865002864.db2.gz HSTGDWGDNPCNQL-CQSZACIVSA-N 0 0 408.414 4.230 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCCCC(F)(F)F ZINC000439692287 865029686 /nfs/dbraw/zinc/02/96/86/865029686.db2.gz JPFPUNFXEFYGMY-UHFFFAOYSA-N 0 0 403.382 4.150 20 5 HIBDRN Cc1cc(N[C@@H](C)c2ccc(-n3cccn3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439695558 865032665 /nfs/dbraw/zinc/03/26/65/865032665.db2.gz ZHSZUPSPDNHJMB-INIZCTEOSA-N 0 0 400.442 4.141 20 5 HIBDRN CCOc1cc(C(=O)Nc2cnccc2-c2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000439699341 865036685 /nfs/dbraw/zinc/03/66/85/865036685.db2.gz XVGTXBMHAGYFHV-UHFFFAOYSA-N 0 0 411.389 4.456 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1)C(CC)CC ZINC000439757545 865085332 /nfs/dbraw/zinc/08/53/32/865085332.db2.gz OIMQUJXQHRNTOT-FQEVSTJZSA-N 0 0 413.474 4.226 20 5 HIBDRN CCc1c(NC(=O)NCCc2ccccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000467993686 881839338 /nfs/dbraw/zinc/83/93/38/881839338.db2.gz LXJSPFLHWYTSGN-UHFFFAOYSA-N 0 0 413.865 4.361 20 5 HIBDRN Cc1cnn(-c2ccccc2)c1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000439827531 865142837 /nfs/dbraw/zinc/14/28/37/865142837.db2.gz KMZKURYFRPDRRB-UHFFFAOYSA-N 0 0 400.822 4.150 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000439864305 865171495 /nfs/dbraw/zinc/17/14/95/865171495.db2.gz FCZUWEXGLWZXEI-UHFFFAOYSA-N 0 0 414.462 4.372 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000439865918 865174034 /nfs/dbraw/zinc/17/40/34/865174034.db2.gz KVXRNMNNBNBMSU-LLVKDONJSA-N 0 0 407.398 4.033 20 5 HIBDRN Cc1c(CS(=O)(=O)Cc2csc(CCc3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000439867643 865175596 /nfs/dbraw/zinc/17/55/96/865175596.db2.gz BQGQUYBUUGJOOI-UHFFFAOYSA-N 0 0 416.524 4.260 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000439882076 865193550 /nfs/dbraw/zinc/19/35/50/865193550.db2.gz ZTPIKRUMBJLJIF-SFHVURJKSA-N 0 0 417.437 4.346 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000439887700 865200273 /nfs/dbraw/zinc/20/02/73/865200273.db2.gz LFFQBQXIANARMF-CQSZACIVSA-N 0 0 405.838 4.332 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000439920151 865225894 /nfs/dbraw/zinc/22/58/94/865225894.db2.gz XCNRJXGSGAKUJP-QAPCUYQASA-N 0 0 405.838 4.299 20 5 HIBDRN Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)c1 ZINC000440244736 865483687 /nfs/dbraw/zinc/48/36/87/865483687.db2.gz TYWAWEYFTLLXQI-UHFFFAOYSA-N 0 0 419.437 4.368 20 5 HIBDRN O=C(Nc1ccc(CCC(F)(F)F)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000440270174 865518049 /nfs/dbraw/zinc/51/80/49/865518049.db2.gz LFXAJUISXFGRLK-UHFFFAOYSA-N 0 0 422.407 4.444 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000468085203 881893970 /nfs/dbraw/zinc/89/39/70/881893970.db2.gz ICRBMRRXTPNSCM-LBPRGKRZSA-N 0 0 408.451 4.048 20 5 HIBDRN COc1cc(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000468084440 881894032 /nfs/dbraw/zinc/89/40/32/881894032.db2.gz GALQWELLYJOLIL-UHFFFAOYSA-N 0 0 412.339 4.223 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000440412179 865705155 /nfs/dbraw/zinc/70/51/55/865705155.db2.gz FFVGNIBGJVZVGP-UGKGYDQZSA-N 0 0 420.469 4.422 20 5 HIBDRN CCN(Cc1c[nH]c2ccccc12)C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 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O=C(Nc1cc(F)cc(F)c1Br)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000468275532 882197868 /nfs/dbraw/zinc/19/78/68/882197868.db2.gz AQJOTZVBXACWRP-UHFFFAOYSA-N 0 0 412.190 4.462 20 5 HIBDRN COc1cccc(C[C@@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444013051 868537069 /nfs/dbraw/zinc/53/70/69/868537069.db2.gz WMSYFQKZKPKDDG-CQSZACIVSA-N 0 0 404.441 4.190 20 5 HIBDRN Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000444024374 868552130 /nfs/dbraw/zinc/55/21/30/868552130.db2.gz XDVIHCVCKJUSLM-QGZVFWFLSA-N 0 0 406.442 4.193 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000444036278 868571218 /nfs/dbraw/zinc/57/12/18/868571218.db2.gz SNVSQGGLDSBXBD-QGZVFWFLSA-N 0 0 404.438 4.138 20 5 HIBDRN Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444035340 868571370 /nfs/dbraw/zinc/57/13/70/868571370.db2.gz VPHPBKWGAXCHBQ-LJAQVGFWSA-N 0 0 404.491 4.121 20 5 HIBDRN O=C(Nc1cc(F)cc(F)c1Br)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000468288393 882210853 /nfs/dbraw/zinc/21/08/53/882210853.db2.gz MFTWWAGJWBEWCF-UHFFFAOYSA-N 0 0 423.116 4.489 20 5 HIBDRN CCCC(O)(CCC)CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444079634 868605621 /nfs/dbraw/zinc/60/56/21/868605621.db2.gz GHQYUPFSKXKZDI-UHFFFAOYSA-N 0 0 402.441 4.021 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C12CCC2 ZINC000444084451 868608503 /nfs/dbraw/zinc/60/85/03/868608503.db2.gz RSQNBVXSEYGVNC-RBUKOAKNSA-N 0 0 412.436 4.037 20 5 HIBDRN CC(C)(O)COc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000444096081 868614294 /nfs/dbraw/zinc/61/42/94/868614294.db2.gz IGDIZLLARCYIHJ-UHFFFAOYSA-N 0 0 402.450 4.083 20 5 HIBDRN Cc1ccc(O[C@H](C)CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000444096877 868614428 /nfs/dbraw/zinc/61/44/28/868614428.db2.gz RINFEVGHCTVATG-CQSZACIVSA-N 0 0 422.431 4.465 20 5 HIBDRN CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444107865 868622426 /nfs/dbraw/zinc/62/24/26/868622426.db2.gz WVFDLTLFMDIDIG-DLBZAZTESA-N 0 0 402.466 4.364 20 5 HIBDRN COc1cccc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000444121589 868629683 /nfs/dbraw/zinc/62/96/83/868629683.db2.gz IHJNXWGRXFMIEA-INIZCTEOSA-N 0 0 411.241 4.124 20 5 HIBDRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444185445 868655199 /nfs/dbraw/zinc/65/51/99/868655199.db2.gz QFUQDCDVJGUOOC-KRWDZBQOSA-N 0 0 417.896 4.343 20 5 HIBDRN O=C(NCc1nnc(-c2ccccc2)s1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444223853 868674880 /nfs/dbraw/zinc/67/48/80/868674880.db2.gz JSMYRTLRIRKOLX-UHFFFAOYSA-N 0 0 412.474 4.130 20 5 HIBDRN C[C@@H](O)C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 ZINC000444224805 868676457 /nfs/dbraw/zinc/67/64/57/868676457.db2.gz KDURIQXTELOSRT-NVXWUHKLSA-N 0 0 418.468 4.105 20 5 HIBDRN C[C@H](CC(=O)c1ccccc1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444228576 868677671 /nfs/dbraw/zinc/67/76/71/868677671.db2.gz RLGVFWSMSBLLJS-CYBMUJFWSA-N 0 0 420.415 4.351 20 5 HIBDRN O=C(NCCC[C@H]1CCCC[C@H]1O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444242530 868691125 /nfs/dbraw/zinc/69/11/25/868691125.db2.gz UBRUPJSDQRGFGV-ZUOKHONESA-N 0 0 414.452 4.021 20 5 HIBDRN O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444245359 868693319 /nfs/dbraw/zinc/69/33/19/868693319.db2.gz JCMUVDWTZMOIAS-OZOXKJRCSA-N 0 0 416.427 4.275 20 5 HIBDRN COc1cc(C)cc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444246151 868693752 /nfs/dbraw/zinc/69/37/52/868693752.db2.gz RFGNCONIRKZGMR-UHFFFAOYSA-N 0 0 408.404 4.207 20 5 HIBDRN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444254313 868700904 /nfs/dbraw/zinc/70/09/04/868700904.db2.gz WKCRNTUDENSIES-CQSZACIVSA-N 0 0 412.436 4.181 20 5 HIBDRN C[C@@H](CCc1ccc(O)cc1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444254163 868701173 /nfs/dbraw/zinc/70/11/73/868701173.db2.gz VWSRURMGHAINHL-AWEZNQCLSA-N 0 0 404.441 4.277 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000444257493 868702966 /nfs/dbraw/zinc/70/29/66/868702966.db2.gz DSERDFHGWVRVLP-UHFFFAOYSA-N 0 0 410.478 4.233 20 5 HIBDRN COc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)ncc1Br ZINC000444287243 868715620 /nfs/dbraw/zinc/71/56/20/868715620.db2.gz JYOGXCGDFMMSDD-UHFFFAOYSA-N 0 0 424.254 4.100 20 5 HIBDRN CC[C@@H](C)Oc1cc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)ccn1 ZINC000444287401 868717883 /nfs/dbraw/zinc/71/78/83/868717883.db2.gz MNGLLIDMHKGKEW-CQSZACIVSA-N 0 0 419.456 4.323 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444291406 868719692 /nfs/dbraw/zinc/71/96/92/868719692.db2.gz QLXCFCXASJKWHB-NPMABZOXSA-N 0 0 422.431 4.466 20 5 HIBDRN C[C@H](CN(C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1nccs1 ZINC000444296806 868726744 /nfs/dbraw/zinc/72/67/44/868726744.db2.gz RHMILHMCQMQIQA-LLVKDONJSA-N 0 0 413.449 4.292 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(C(C)(F)F)c2)cc1[N+](=O)[O-] ZINC000444318335 868746470 /nfs/dbraw/zinc/74/64/70/868746470.db2.gz NAPKDZLBGZKAAK-UHFFFAOYSA-N 0 0 419.413 4.239 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1[N+](=O)[O-] ZINC000444337792 868764535 /nfs/dbraw/zinc/76/45/35/868764535.db2.gz DFJRRZUAPFQAHG-ZDUSSCGKSA-N 0 0 416.787 4.434 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000444409638 868814899 /nfs/dbraw/zinc/81/48/99/868814899.db2.gz KMDYAUKHWOXJDZ-UGSOOPFHSA-N 0 0 406.891 4.329 20 5 HIBDRN Cn1cc(CCNC(=O)CSc2ccccc2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000444429472 868825544 /nfs/dbraw/zinc/82/55/44/868825544.db2.gz GBIHRRRDNIJYQX-UHFFFAOYSA-N 0 0 403.891 4.191 20 5 HIBDRN O=C(NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc2ccccc2c2cccnc12 ZINC000444440536 868829231 /nfs/dbraw/zinc/82/92/31/868829231.db2.gz KIQTXMCKYNAFJX-OAHLLOKOSA-N 0 0 424.422 4.386 20 5 HIBDRN COc1cc(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])cc1OC ZINC000444462168 868838163 /nfs/dbraw/zinc/83/81/63/868838163.db2.gz DDILBZRPQZIFTR-UHFFFAOYSA-N 0 0 422.437 4.468 20 5 HIBDRN O=C(Nc1ccc(OC2COC2)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000444531027 868870456 /nfs/dbraw/zinc/87/04/56/868870456.db2.gz HQTRFBQMNSJUMJ-UHFFFAOYSA-N 0 0 406.394 4.417 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000444540343 868874214 /nfs/dbraw/zinc/87/42/14/868874214.db2.gz APOFOCJUYMXXJK-WOJBJXKFSA-N 0 0 401.507 4.317 20 5 HIBDRN Cc1cccc2nc(C3CCN(C(=O)Cc4c[nH]c5ccc([N+](=O)[O-])cc45)CC3)oc21 ZINC000444556347 868881315 /nfs/dbraw/zinc/88/13/15/868881315.db2.gz XXBSVVJSRZXUKA-UHFFFAOYSA-N 0 0 418.453 4.474 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CN3CCCC[C@H]3c3nc(-c4ccccc4)no3)nc2c1 ZINC000444603658 868900065 /nfs/dbraw/zinc/90/00/65/868900065.db2.gz VSIOYMVMIOERFR-SFHVURJKSA-N 0 0 404.430 4.248 20 5 HIBDRN CC(C)(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(C(F)(F)F)c1 ZINC000444633962 868921858 /nfs/dbraw/zinc/92/18/58/868921858.db2.gz FTCASNUEFXYUHK-UHFFFAOYSA-N 0 0 406.364 4.084 20 5 HIBDRN COc1ccc2cc([C@H](C)C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)ccc2c1 ZINC000444635424 868922884 /nfs/dbraw/zinc/92/28/84/868922884.db2.gz KQSBTLYFGQYPMQ-ZDUSSCGKSA-N 0 0 404.426 4.053 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000444648989 868931544 /nfs/dbraw/zinc/93/15/44/868931544.db2.gz ZLGBPVUYWPYPCP-UHFFFAOYSA-N 0 0 418.375 4.228 20 5 HIBDRN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1nc2ccccc2n1C(F)F ZINC000444657087 868935624 /nfs/dbraw/zinc/93/56/24/868935624.db2.gz JDTHKTYUOXCAJY-NSHDSACASA-N 0 0 414.372 4.240 20 5 HIBDRN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000444674543 868952040 /nfs/dbraw/zinc/95/20/40/868952040.db2.gz KFRRAEAKKLCPLZ-JTQLQIEISA-N 0 0 423.807 4.282 20 5 HIBDRN Cc1cccc2nc(C3CCN(Cc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)CC3)oc21 ZINC000444758690 868989600 /nfs/dbraw/zinc/98/96/00/868989600.db2.gz DNIYOTBRVWXWEF-UHFFFAOYSA-N 0 0 419.441 4.474 20 5 HIBDRN Cc1cccc2nc(C3CCN([C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000444766275 868992029 /nfs/dbraw/zinc/99/20/29/868992029.db2.gz MYHZEYAECJWDEN-HNNXBMFYSA-N 0 0 408.458 4.251 20 5 HIBDRN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000444856372 869057880 /nfs/dbraw/zinc/05/78/80/869057880.db2.gz IETRITKONGVVMN-OAQYLSRUSA-N 0 0 402.425 4.034 20 5 HIBDRN CC(C)NC(=O)Cc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000444858395 869060807 /nfs/dbraw/zinc/06/08/07/869060807.db2.gz MNJXSKYJKXFHSS-UHFFFAOYSA-N 0 0 413.477 4.001 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000444896614 869084384 /nfs/dbraw/zinc/08/43/84/869084384.db2.gz MNWWIPDLCUVNQA-UHFFFAOYSA-N 0 0 401.419 4.053 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000444901894 869090238 /nfs/dbraw/zinc/09/02/38/869090238.db2.gz LTLWIZMKUSLSHY-NVXWUHKLSA-N 0 0 409.801 4.048 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000444912321 869099077 /nfs/dbraw/zinc/09/90/77/869099077.db2.gz KEPMVZSWPIKCRE-UHFFFAOYSA-N 0 0 412.377 4.252 20 5 HIBDRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444913161 869099888 /nfs/dbraw/zinc/09/98/88/869099888.db2.gz OQFGIVOOEJNXJK-OAHLLOKOSA-N 0 0 422.489 4.480 20 5 HIBDRN Cc1cc(C)c(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(Br)c1 ZINC000444916539 869102675 /nfs/dbraw/zinc/10/26/75/869102675.db2.gz AJLUTGCHVZQWNC-UHFFFAOYSA-N 0 0 418.251 4.172 20 5 HIBDRN COc1ccc(NC(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)cc1[N+](=O)[O-] ZINC000444918046 869103723 /nfs/dbraw/zinc/10/37/23/869103723.db2.gz AJPNKMCJNJZONC-UHFFFAOYSA-N 0 0 410.430 4.465 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000444919566 869104639 /nfs/dbraw/zinc/10/46/39/869104639.db2.gz JUKCFGONRVWNIZ-UHFFFAOYSA-N 0 0 413.352 4.004 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000444926301 869109735 /nfs/dbraw/zinc/10/97/35/869109735.db2.gz UWUGPFDAWUHGAT-LBPRGKRZSA-N 0 0 414.393 4.295 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000444930615 869113114 /nfs/dbraw/zinc/11/31/14/869113114.db2.gz NDGASZRJQAPKQX-UHFFFAOYSA-N 0 0 412.377 4.252 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000444990783 869148265 /nfs/dbraw/zinc/14/82/65/869148265.db2.gz RJOWWABRPYURFV-FQEVSTJZSA-N 0 0 411.437 4.341 20 5 HIBDRN C[S@@](=O)Cc1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)ccc1Cl ZINC000444996358 869151562 /nfs/dbraw/zinc/15/15/62/869151562.db2.gz KBZNPWSVPQEFEA-GDLZYMKVSA-N 0 0 424.909 4.466 20 5 HIBDRN Cn1cc(Nc2cccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)c2)cn1 ZINC000445003703 869157774 /nfs/dbraw/zinc/15/77/74/869157774.db2.gz JNZIRTLWWFNBCI-UHFFFAOYSA-N 0 0 409.449 4.411 20 5 HIBDRN COc1cc(F)c([C@@H](C)NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1OC ZINC000445021353 869171227 /nfs/dbraw/zinc/17/12/27/869171227.db2.gz QMZWZFOTQFTVGV-CYBMUJFWSA-N 0 0 420.440 4.329 20 5 HIBDRN CC(C)(NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(C(F)(F)F)c1 ZINC000445033864 869182884 /nfs/dbraw/zinc/18/28/84/869182884.db2.gz QGCHZEDZEIIXAS-UHFFFAOYSA-N 0 0 421.379 4.224 20 5 HIBDRN O=C(N[C@H]1CCCOc2cc(F)ccc21)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445127705 869232452 /nfs/dbraw/zinc/23/24/52/869232452.db2.gz CCGGXDQQWRVASK-IBGZPJMESA-N 0 0 402.425 4.464 20 5 HIBDRN COc1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)ncc1Br ZINC000445132627 869235259 /nfs/dbraw/zinc/23/52/59/869235259.db2.gz FUTVWALAMAEBCD-UHFFFAOYSA-N 0 0 424.254 4.100 20 5 HIBDRN CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000445141985 869239278 /nfs/dbraw/zinc/23/92/78/869239278.db2.gz WBJWIZATMXKVGY-CABCVRRESA-N 0 0 409.364 4.123 20 5 HIBDRN C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1C(F)(F)F ZINC000445150566 869244562 /nfs/dbraw/zinc/24/45/62/869244562.db2.gz JFIKQLBKLWQXGX-SNVBAGLBSA-N 0 0 407.352 4.050 20 5 HIBDRN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(CCCn2ccnc2)CC1 ZINC000445156699 869247104 /nfs/dbraw/zinc/24/71/04/869247104.db2.gz GGHHRQQZLDWAJR-UHFFFAOYSA-N 0 0 414.509 4.210 20 5 HIBDRN O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1sc(Br)cc1[N+](=O)[O-] ZINC000445173263 869259828 /nfs/dbraw/zinc/25/98/28/869259828.db2.gz NPIPDAJJZYZGJV-SNVBAGLBSA-N 0 0 415.240 4.202 20 5 HIBDRN CC(C)[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000468344784 882280634 /nfs/dbraw/zinc/28/06/34/882280634.db2.gz WUKCWNIFFHIQCH-IBGZPJMESA-N 0 0 401.369 4.254 20 5 HIBDRN O=C(NCCCc1nc2c(s1)CCCC2)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445184673 869265099 /nfs/dbraw/zinc/26/50/99/869265099.db2.gz KHXTZDREACCWFR-UHFFFAOYSA-N 0 0 417.534 4.379 20 5 HIBDRN O=C(Nc1ccc(CN2CCCC2=O)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445188668 869266726 /nfs/dbraw/zinc/26/67/26/869266726.db2.gz OKBICQKUKUBYSY-UHFFFAOYSA-N 0 0 411.461 4.056 20 5 HIBDRN C[C@H](c1ccsc1)N1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000445208590 869274946 /nfs/dbraw/zinc/27/49/46/869274946.db2.gz CMJLJGHNEVKHSW-MRXNPFEDSA-N 0 0 417.534 4.262 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cc3ccccc3o2)n1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445266115 869314754 /nfs/dbraw/zinc/31/47/54/869314754.db2.gz WIHOCPVBMZNCLR-UHFFFAOYSA-N 0 0 421.416 4.465 20 5 HIBDRN O=C(Cc1noc(/C=C\c2ccc(F)cc2[N+](=O)[O-])n1)Nc1cccc2ncccc21 ZINC000445277728 869325238 /nfs/dbraw/zinc/32/52/38/869325238.db2.gz ATWVFRNSLVGKQO-CLFYSBASSA-N 0 0 419.372 4.017 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)cc([N+](=O)[O-])c1OC ZINC000468350181 882288573 /nfs/dbraw/zinc/28/85/73/882288573.db2.gz HFWXWAGUEHIYKP-SFHVURJKSA-N 0 0 408.401 4.407 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(CC(=O)Nc2ccccc2F)no1 ZINC000445303548 869355768 /nfs/dbraw/zinc/35/57/68/869355768.db2.gz ROKKMSDIRYTDFY-SNVBAGLBSA-N 0 0 420.784 4.092 20 5 HIBDRN CCc1cccc(CC)c1NC(=O)Cc1noc(/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000445309479 869362083 /nfs/dbraw/zinc/36/20/83/869362083.db2.gz GOMVBGYEYKQBIZ-OUKQBFOZSA-N 0 0 406.442 4.454 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)Cc1noc([C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000445342175 869405308 /nfs/dbraw/zinc/40/53/08/869405308.db2.gz MZKGZXXBTNJCRP-JTQLQIEISA-N 0 0 418.812 4.412 20 5 HIBDRN O=C(Cc1noc(-c2ccc(F)cc2[N+](=O)[O-])n1)Nc1cc(Cl)ccc1Cl ZINC000445344878 869408849 /nfs/dbraw/zinc/40/88/49/869408849.db2.gz PUIVWECNJWYEMN-UHFFFAOYSA-N 0 0 411.176 4.272 20 5 HIBDRN Cc1ccc(NC(=O)Cc2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)c(C)c1 ZINC000445364376 869430082 /nfs/dbraw/zinc/43/00/82/869430082.db2.gz JXWMNHKQXQVGKJ-UHFFFAOYSA-N 0 0 407.430 4.017 20 5 HIBDRN Cc1cc(-c2nc(CC(=O)Nc3c(Cl)cccc3Cl)no2)cc([N+](=O)[O-])c1 ZINC000445367231 869437353 /nfs/dbraw/zinc/43/73/53/869437353.db2.gz BYDFHDTYVGARNM-UHFFFAOYSA-N 0 0 407.213 4.441 20 5 HIBDRN CCOc1cc(-c2noc(CCNc3ccccc3[N+](=O)[O-])n2)cc(Cl)c1O ZINC000445409578 869493283 /nfs/dbraw/zinc/49/32/83/869493283.db2.gz AVFGQXSSHXMWPF-UHFFFAOYSA-N 0 0 404.810 4.057 20 5 HIBDRN Cc1ccc(-c2nc(CC(=O)Nc3ccccc3C(F)(F)F)no2)cc1[N+](=O)[O-] ZINC000445430082 869514488 /nfs/dbraw/zinc/51/44/88/869514488.db2.gz DTKNYFXQNKDNCA-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3nc([C@H]4COc5ccccc5O4)no3)cs2)c1 ZINC000445467212 869541993 /nfs/dbraw/zinc/54/19/93/869541993.db2.gz MAEPNWUMOXSQBD-MRXNPFEDSA-N 0 0 408.395 4.281 20 5 HIBDRN O=C(N[C@H](Cc1nc(-c2ccc([N+](=O)[O-])s2)no1)c1ccccc1)c1ccccc1 ZINC000445473221 869546343 /nfs/dbraw/zinc/54/63/43/869546343.db2.gz RJWMMPOKYOAASL-MRXNPFEDSA-N 0 0 420.450 4.420 20 5 HIBDRN O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000445487912 869557993 /nfs/dbraw/zinc/55/79/93/869557993.db2.gz UTIFMLSJWJKJNC-LBPRGKRZSA-N 0 0 418.862 4.380 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3cc(Br)ccc3F)n2)c1 ZINC000445574287 869633796 /nfs/dbraw/zinc/63/37/96/869633796.db2.gz YYKVLVIQRJSNSO-UHFFFAOYSA-N 0 0 422.210 4.070 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc4c(C(C)C)nn(C)c4s3)n2)c1 ZINC000445578224 869638063 /nfs/dbraw/zinc/63/80/63/869638063.db2.gz 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Cc1cc(Cl)ccc1Cc1noc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000445601463 869665639 /nfs/dbraw/zinc/66/56/39/869665639.db2.gz PDUXUSGWSQFBSX-GFCCVEGCSA-N 0 0 400.822 4.021 20 5 HIBDRN Cc1nc(-c2ccc(C)cc2)c(Cc2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)s1 ZINC000445605261 869669238 /nfs/dbraw/zinc/66/92/38/869669238.db2.gz SDVHRMBPFHZBHV-UHFFFAOYSA-N 0 0 410.459 4.018 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3csc(-c4ccc(Cl)cc4)n3)n2)n1C ZINC000445606936 869670671 /nfs/dbraw/zinc/67/06/71/869670671.db2.gz CGFKVWDYGSUPQU-UHFFFAOYSA-N 0 0 402.823 4.131 20 5 HIBDRN CSc1cccnc1-c1noc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 ZINC000445606490 869671127 /nfs/dbraw/zinc/67/11/27/869671127.db2.gz BVWXNTCLMMIFAN-UHFFFAOYSA-N 0 0 422.470 4.290 20 5 HIBDRN CSc1cccnc1-c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000445608348 869673199 /nfs/dbraw/zinc/67/31/99/869673199.db2.gz NTTDVDCMDJYSQJ-UHFFFAOYSA-N 0 0 400.463 4.370 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(C4CC4)nc4ccc(Cl)cc43)n2)n1C ZINC000445614404 869678468 /nfs/dbraw/zinc/67/84/68/869678468.db2.gz YLCFVJKXQAFEKN-UHFFFAOYSA-N 0 0 410.821 4.433 20 5 HIBDRN Cc1c2cc(Br)ccc2oc1-c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000445616090 869679840 /nfs/dbraw/zinc/67/98/40/869679840.db2.gz MXGJCNSSAUCWQQ-UHFFFAOYSA-N 0 0 418.207 4.171 20 5 HIBDRN COc1ccc(-c2cc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)sc2C)cc1 ZINC000445619944 869684371 /nfs/dbraw/zinc/68/43/71/869684371.db2.gz LNAOEKOLCRKXHF-UHFFFAOYSA-N 0 0 411.443 4.399 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H](Cc3ccccc3)c3ccccc3)n2)n1C ZINC000445620648 869684593 /nfs/dbraw/zinc/68/45/93/869684593.db2.gz KCQVLSCYYRKMGW-SFHVURJKSA-N 0 0 403.442 4.256 20 5 HIBDRN Cn1cc(-c2noc(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)n2)ccc1=O ZINC000445620483 869684710 /nfs/dbraw/zinc/68/47/10/869684710.db2.gz JVQHSPIRAYHNOP-UHFFFAOYSA-N 0 0 406.423 4.162 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(Br)cc4ccccc43)n2)n1C ZINC000445622186 869686746 /nfs/dbraw/zinc/68/67/46/869686746.db2.gz 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C[C@H](c1ccccc1Cl)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000445689993 869759543 /nfs/dbraw/zinc/75/95/43/869759543.db2.gz FITOEQNOQICYOC-MRXNPFEDSA-N 0 0 401.894 4.086 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CCCc2ccccc21 ZINC000445690632 869759741 /nfs/dbraw/zinc/75/97/41/869759741.db2.gz HTWCAWHEMRGGHK-HNNXBMFYSA-N 0 0 403.276 4.136 20 5 HIBDRN C[C@H](Cc1cccc(Br)c1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445722865 869780979 /nfs/dbraw/zinc/78/09/79/869780979.db2.gz JRMHUQVWEIGJCH-CYBMUJFWSA-N 0 0 418.291 4.056 20 5 HIBDRN CCCCC1CCC(c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000445728405 869785772 /nfs/dbraw/zinc/78/57/72/869785772.db2.gz XLTIREGZKGUXOC-UHFFFAOYSA-N 0 0 400.479 4.301 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1ccco1)CC(F)(F)F ZINC000445730755 869787409 /nfs/dbraw/zinc/78/74/09/869787409.db2.gz DMRVVKIQBFFGRN-UHFFFAOYSA-N 0 0 421.169 4.084 20 5 HIBDRN Cc1ccc2oc(-c3noc(CCCn4c(=O)oc5cc([N+](=O)[O-])ccc54)n3)cc2c1 ZINC000445773204 869815489 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O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CCC(F)(F)F)CC(F)(F)F ZINC000468514457 882518735 /nfs/dbraw/zinc/51/87/35/882518735.db2.gz GQUKAMSOBKVMBP-UHFFFAOYSA-N 0 0 413.318 4.152 20 5 HIBDRN Cc1ccn(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)n1 ZINC000447617166 871522229 /nfs/dbraw/zinc/52/22/29/871522229.db2.gz BCFLKKQCJKDLPU-UHFFFAOYSA-N 0 0 402.520 4.325 20 5 HIBDRN Cc1c(Br)ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1F ZINC000447639425 871557106 /nfs/dbraw/zinc/55/71/06/871557106.db2.gz BYUBYOHYFIIMTD-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN Cc1c(Br)ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1F ZINC000447641194 871563612 /nfs/dbraw/zinc/56/36/12/871563612.db2.gz LTVKFPDDVVPXBQ-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN Cc1cccc(N2CCN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC2)c1 ZINC000447668637 871597030 /nfs/dbraw/zinc/59/70/30/871597030.db2.gz HGTWVVGVTBRTME-UHFFFAOYSA-N 0 0 416.350 4.279 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCn3c(cc4ccc(Cl)cc43)C2)c(Br)c1 ZINC000447671762 871602682 /nfs/dbraw/zinc/60/26/82/871602682.db2.gz WSKLMGSKFXTPPE-UHFFFAOYSA-N 0 0 407.655 4.381 20 5 HIBDRN COc1ccc2c(c1)CCN(c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])CC2 ZINC000447673200 871603073 /nfs/dbraw/zinc/60/30/73/871603073.db2.gz SIOAJFSPBZWBNO-UHFFFAOYSA-N 0 0 417.334 4.258 20 5 HIBDRN CS(=O)(=O)c1cccc([C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2ccccc2)c1 ZINC000447675215 871608118 /nfs/dbraw/zinc/60/81/18/871608118.db2.gz LPXQIHDKOSYMEI-FQEVSTJZSA-N 0 0 422.466 4.076 20 5 HIBDRN Cc1cn2c(n1)[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])CCC2 ZINC000447680052 871610995 /nfs/dbraw/zinc/61/09/95/871610995.db2.gz QDXSIGKFHFNVBX-SNVBAGLBSA-N 0 0 405.327 4.138 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000447687361 871619752 /nfs/dbraw/zinc/61/97/52/871619752.db2.gz IIBOIMCEHJZDLM-GOSISDBHSA-N 0 0 421.478 4.435 20 5 HIBDRN CN(Cc1ccc2c(c1)OCO2)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447688118 871621447 /nfs/dbraw/zinc/62/14/47/871621447.db2.gz WVRYAXFGVVNUPM-UHFFFAOYSA-N 0 0 405.279 4.009 20 5 HIBDRN CN(C)c1cccc(CN(C)c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC000447693253 871629292 /nfs/dbraw/zinc/62/92/92/871629292.db2.gz BTRNFUBTKULAME-UHFFFAOYSA-N 0 0 404.339 4.346 20 5 HIBDRN O=C(CC1CCCCC1)NCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447694387 871631394 /nfs/dbraw/zinc/63/13/94/871631394.db2.gz QYBCRPGCGCSUHI-UHFFFAOYSA-N 0 0 424.370 4.142 20 5 HIBDRN COC(=O)[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccccc1 ZINC000447693806 871632081 /nfs/dbraw/zinc/63/20/81/871632081.db2.gz OFSOTOGLQVBVGM-NSHDSACASA-N 0 0 419.306 4.013 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(Nc2cccc(Br)c2)CC1 ZINC000447695946 871635500 /nfs/dbraw/zinc/63/55/00/871635500.db2.gz ZXKJLMKYLXWZEK-UHFFFAOYSA-N 0 0 418.291 4.003 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000447701094 871642856 /nfs/dbraw/zinc/64/28/56/871642856.db2.gz YSHGCJCBMOHKEU-JOCHJYFZSA-N 0 0 414.527 4.446 20 5 HIBDRN O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000447706725 871649256 /nfs/dbraw/zinc/64/92/56/871649256.db2.gz LPPZRAOALGBPRF-ZDUSSCGKSA-N 0 0 421.144 4.372 20 5 HIBDRN O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000447717998 871659410 /nfs/dbraw/zinc/65/94/10/871659410.db2.gz WLQQLEYLMOXUGB-QGZVFWFLSA-N 0 0 411.355 4.209 20 5 HIBDRN COc1ccc(OCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000447788060 871721748 /nfs/dbraw/zinc/72/17/48/871721748.db2.gz MWAPRIQIJDBMCL-OAQYLSRUSA-N 0 0 418.449 4.157 20 5 HIBDRN Cc1ccc(Nc2c([N+](=O)[O-])ncn2C)cc1Oc1ncccc1Br ZINC000447802445 871736704 /nfs/dbraw/zinc/73/67/04/871736704.db2.gz KTSDEPDSKLJQMR-UHFFFAOYSA-N 0 0 404.224 4.330 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000447804545 871739990 /nfs/dbraw/zinc/73/99/90/871739990.db2.gz FVUMSTVDLSKLEX-HOCLYGCPSA-N 0 0 401.429 4.208 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000447818862 871748522 /nfs/dbraw/zinc/74/85/22/871748522.db2.gz ZFPBOKUTRHYKCC-NZQKXSOJSA-N 0 0 411.502 4.007 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000447867222 871791710 /nfs/dbraw/zinc/79/17/10/871791710.db2.gz VYAOIMAYPTXACX-YYWHXJBOSA-N 0 0 410.470 4.069 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447876243 871796790 /nfs/dbraw/zinc/79/67/90/871796790.db2.gz ZDNFTTKUCLEJHG-UHFFFAOYSA-N 0 0 418.368 4.106 20 5 HIBDRN CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000448002658 871847790 /nfs/dbraw/zinc/84/77/90/871847790.db2.gz YMENWIHFAFIFDJ-INIZCTEOSA-N 0 0 421.501 4.466 20 5 HIBDRN CCOC(=O)[C@H](Sc1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000448095571 871936525 /nfs/dbraw/zinc/93/65/25/871936525.db2.gz ABXLBKNMBKLLOQ-CQSZACIVSA-N 0 0 415.240 4.288 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000448102828 871948345 /nfs/dbraw/zinc/94/83/45/871948345.db2.gz MZOUKAZFGMMWSW-UHFFFAOYSA-N 0 0 408.411 4.122 20 5 HIBDRN Cc1ccccc1NC(=O)Cc1nc(CSc2ccc([N+](=O)[O-])cn2)cs1 ZINC000448102251 871948676 /nfs/dbraw/zinc/94/86/76/871948676.db2.gz JNRBRHHXBYUGLJ-UHFFFAOYSA-N 0 0 400.485 4.228 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000448186616 872065948 /nfs/dbraw/zinc/06/59/48/872065948.db2.gz ZISCEDIKHJAOAA-INIZCTEOSA-N 0 0 406.486 4.114 20 5 HIBDRN Cc1sc(NC(=O)COC(C)(C)C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 ZINC000448197940 872083181 /nfs/dbraw/zinc/08/31/81/872083181.db2.gz QCJWXMVQOFLBOQ-UHFFFAOYSA-N 0 0 403.382 4.323 20 5 HIBDRN Cc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)ncc1Br ZINC000448253342 872173644 /nfs/dbraw/zinc/17/36/44/872173644.db2.gz WTMFEEBYGHTCKL-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000448346410 872292269 /nfs/dbraw/zinc/29/22/69/872292269.db2.gz PDGVBIHHBQMSTL-UHFFFAOYSA-N 0 0 415.412 4.273 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCCC[C@H]3C[C@H](C)O)cc2[N+](=O)[O-])n1 ZINC000468555575 882600782 /nfs/dbraw/zinc/60/07/82/882600782.db2.gz QPJTZIPWQJVJGM-ZFWWWQNUSA-N 0 0 421.544 4.277 20 5 HIBDRN O=C(C[C@@H]1CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000448435909 872382673 /nfs/dbraw/zinc/38/26/73/872382673.db2.gz CFDVBMUHHFRPPF-KRWDZBQOSA-N 0 0 402.447 4.090 20 5 HIBDRN Cc1c(C(=O)N(c2cnc3ccccc3c2)C(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000448459756 872418862 /nfs/dbraw/zinc/41/88/62/872418862.db2.gz RCYIPTPZUAZYIG-UHFFFAOYSA-N 0 0 416.441 4.087 20 5 HIBDRN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460167696 872717498 /nfs/dbraw/zinc/71/74/98/872717498.db2.gz IFCBNDLAZMJOCO-ADLMAVQZSA-N 0 0 421.316 4.499 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c1 ZINC000460169606 872723435 /nfs/dbraw/zinc/72/34/35/872723435.db2.gz TUTWLTOBIGTXPM-UHFFFAOYSA-N 0 0 410.451 4.129 20 5 HIBDRN CCn1c(-c2ccc(OC)c(OC)c2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000460192142 872762787 /nfs/dbraw/zinc/76/27/87/872762787.db2.gz JUEOOSXNXGACNU-UHFFFAOYSA-N 0 0 423.473 4.059 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000468579674 882654847 /nfs/dbraw/zinc/65/48/47/882654847.db2.gz WMHYQPNNOKYVAI-MRXNPFEDSA-N 0 0 404.264 4.074 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000460204972 872783461 /nfs/dbraw/zinc/78/34/61/872783461.db2.gz ONIXVIFJFUXVCU-LJQANCHMSA-N 0 0 423.473 4.232 20 5 HIBDRN CCNC(=O)N1CCc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc21 ZINC000460218985 872804597 /nfs/dbraw/zinc/80/45/97/872804597.db2.gz DOEHATHMRACWQR-UHFFFAOYSA-N 0 0 410.455 4.154 20 5 HIBDRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])o1)CCO2 ZINC000460247335 872834704 /nfs/dbraw/zinc/83/47/04/872834704.db2.gz NYASUDLGXDDTOM-SFHVURJKSA-N 0 0 408.410 4.363 20 5 HIBDRN CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000460289797 872879235 /nfs/dbraw/zinc/87/92/35/872879235.db2.gz OJHBBKSADFIIPF-FQEVSTJZSA-N 0 0 405.458 4.051 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000460297125 872887545 /nfs/dbraw/zinc/88/75/45/872887545.db2.gz QLLAZXAQWCGSSJ-HXUWFJFHSA-N 0 0 407.474 4.059 20 5 HIBDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000460302239 872892312 /nfs/dbraw/zinc/89/23/12/872892312.db2.gz ULUDVRMTHIFBSP-SFHVURJKSA-N 0 0 402.516 4.316 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3C[C@H](C)Oc4cc(F)ccc43)cc2[N+](=O)[O-])CC1 ZINC000460317160 872905503 /nfs/dbraw/zinc/90/55/03/872905503.db2.gz FXXHHNXHJPTGJD-HNNXBMFYSA-N 0 0 413.449 4.398 20 5 HIBDRN CO[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1 ZINC000460331021 872936495 /nfs/dbraw/zinc/93/64/95/872936495.db2.gz WAFUOIJWKCIKQC-QGZVFWFLSA-N 0 0 417.874 4.489 20 5 HIBDRN Cc1cnc([C@@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000460336532 872944976 /nfs/dbraw/zinc/94/49/76/872944976.db2.gz BKUVRFOJRMAOQZ-IBGZPJMESA-N 0 0 414.531 4.477 20 5 HIBDRN CSCC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)c1nnc2ccccn21 ZINC000460361838 872993193 /nfs/dbraw/zinc/99/31/93/872993193.db2.gz IOWPBKGYUGZEJM-KRWDZBQOSA-N 0 0 415.519 4.009 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCSc2ncccc21 ZINC000460364497 872996787 /nfs/dbraw/zinc/99/67/87/872996787.db2.gz TXESQBHNGQYINK-UHFFFAOYSA-N 0 0 406.467 4.354 20 5 HIBDRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000460405631 873056440 /nfs/dbraw/zinc/05/64/40/873056440.db2.gz ARTIMHSVAPTAKE-GOSISDBHSA-N 0 0 400.475 4.404 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(C3CCC3)n1CCc1ccccc1)CC2 ZINC000460412452 873067103 /nfs/dbraw/zinc/06/71/03/873067103.db2.gz PAJXORUHYWWUTP-UHFFFAOYSA-N 0 0 403.486 4.259 20 5 HIBDRN CO[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CCc2ccccc2)[C@H](C)C1 ZINC000460419036 873076605 /nfs/dbraw/zinc/07/66/05/873076605.db2.gz IBJMJAFMLBSZRK-UTKZUKDTSA-N 0 0 421.501 4.100 20 5 HIBDRN C[C@H]1CSCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CCc1ccccc1 ZINC000460421079 873079446 /nfs/dbraw/zinc/07/94/46/873079446.db2.gz OLGGGACXQQWMDB-INIZCTEOSA-N 0 0 409.515 4.038 20 5 HIBDRN C[C@@H]1CSCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccc1 ZINC000460426536 873087361 /nfs/dbraw/zinc/08/73/61/873087361.db2.gz OLKXKKMYAWRQQL-MRXNPFEDSA-N 0 0 409.515 4.038 20 5 HIBDRN Cc1ccccc1O[C@H](C)CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000460426966 873089517 /nfs/dbraw/zinc/08/95/17/873089517.db2.gz ZXUNUNYNURDSRR-CYBMUJFWSA-N 0 0 412.364 4.042 20 5 HIBDRN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccc1)[C@H]1CCSC1 ZINC000460460488 873140440 /nfs/dbraw/zinc/14/04/40/873140440.db2.gz QKAGQSHGEOTQEM-IBGZPJMESA-N 0 0 409.515 4.038 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)CCc2cccn2C)cc1 ZINC000460467635 873151656 /nfs/dbraw/zinc/15/16/56/873151656.db2.gz LEAPCXPQMHXIOC-MRXNPFEDSA-N 0 0 423.469 4.485 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC000460484304 873171516 /nfs/dbraw/zinc/17/15/16/873171516.db2.gz ASQPHZSHDKDMIF-UHFFFAOYSA-N 0 0 414.462 4.146 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000460539470 873239548 /nfs/dbraw/zinc/23/95/48/873239548.db2.gz OBHJANNACKARLA-CYBMUJFWSA-N 0 0 408.285 4.421 20 5 HIBDRN CCNc1ccc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000460541783 873244127 /nfs/dbraw/zinc/24/41/27/873244127.db2.gz ASFVUCPAHDIMIJ-OAHLLOKOSA-N 0 0 416.909 4.199 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000460556885 873275020 /nfs/dbraw/zinc/27/50/20/873275020.db2.gz WATOJHQBPYYKAV-BXJCWQANSA-N 0 0 404.850 4.149 20 5 HIBDRN CC(C)c1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2I)s1 ZINC000460564622 873294256 /nfs/dbraw/zinc/29/42/56/873294256.db2.gz MSWPDNCVJRODJL-UHFFFAOYSA-N 0 0 417.228 4.032 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000460572297 873306567 /nfs/dbraw/zinc/30/65/67/873306567.db2.gz BIRROVWXJNLUCS-FRGNPEFRSA-N 0 0 404.850 4.393 20 5 HIBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000460585536 873323496 /nfs/dbraw/zinc/32/34/96/873323496.db2.gz VFOACCJDIFGYBB-LJQANCHMSA-N 0 0 423.847 4.436 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000460637158 873378119 /nfs/dbraw/zinc/37/81/19/873378119.db2.gz RRESVBJACNZIDD-DZGCQCFKSA-N 0 0 420.412 4.471 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1C1CCCC1 ZINC000460773914 873624830 /nfs/dbraw/zinc/62/48/30/873624830.db2.gz WDFGOMANBKXUDP-FQEVSTJZSA-N 0 0 413.522 4.439 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2cccc(CSC(C)C)c2C)cc1[N+](=O)[O-] ZINC000460822538 873706545 /nfs/dbraw/zinc/70/65/45/873706545.db2.gz FWZGBDBWTKXSAB-UHFFFAOYSA-N 0 0 410.517 4.354 20 5 HIBDRN Cc1nc2ccccc2n1CCc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000460823893 873708887 /nfs/dbraw/zinc/70/88/87/873708887.db2.gz OEZDEFDNBTWADV-UHFFFAOYSA-N 0 0 418.457 4.146 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000460836271 873725294 /nfs/dbraw/zinc/72/52/94/873725294.db2.gz KOGJKQLBDMCSNB-UHFFFAOYSA-N 0 0 415.493 4.071 20 5 HIBDRN CCOc1cc(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000468626141 882753564 /nfs/dbraw/zinc/75/35/64/882753564.db2.gz ZWNANXTVSNPWTH-LLVKDONJSA-N 0 0 406.385 4.040 20 5 HIBDRN O=C(CSCC1CC1)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000460854860 873754259 /nfs/dbraw/zinc/75/42/59/873754259.db2.gz BWPYZKHBAIDKQK-UHFFFAOYSA-N 0 0 424.114 4.202 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000460891884 873803305 /nfs/dbraw/zinc/80/33/05/873803305.db2.gz FXCZVRWKTROJQX-OAHLLOKOSA-N 0 0 410.405 4.112 20 5 HIBDRN C[C@@H](c1ccccc1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 ZINC000460904800 873813885 /nfs/dbraw/zinc/81/38/85/873813885.db2.gz BMCMBQYCJYYJGB-OXJNMPFZSA-N 0 0 407.474 4.230 20 5 HIBDRN CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000460916640 873822706 /nfs/dbraw/zinc/82/27/06/873822706.db2.gz XYAASVBFPXITID-PZJWPPBQSA-N 0 0 419.485 4.156 20 5 HIBDRN CCC[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1F ZINC000468632816 882765527 /nfs/dbraw/zinc/76/55/27/882765527.db2.gz UOQONXKNMLYKNV-OAHLLOKOSA-N 0 0 411.792 4.123 20 5 HIBDRN CCC1CCN(C(=O)c2cc(C(=O)N3CCC(CC)CC3)cc([N+](=O)[O-])c2)CC1 ZINC000460974735 873869379 /nfs/dbraw/zinc/86/93/79/873869379.db2.gz XXYDTQVUASOCAD-UHFFFAOYSA-N 0 0 401.507 4.119 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2nnc(-c3ccc[nH]3)n2Cc2cccs2)C2CC2)cc1 ZINC000461016213 873885867 /nfs/dbraw/zinc/88/58/67/873885867.db2.gz PIKCJHDSSKQPQH-UHFFFAOYSA-N 0 0 420.498 4.460 20 5 HIBDRN CCc1cccnc1NC(=O)c1cc(C(=O)Nc2ncccc2CC)cc([N+](=O)[O-])c1 ZINC000461025426 873891680 /nfs/dbraw/zinc/89/16/80/873891680.db2.gz QQOWZGUEVKIXOJ-UHFFFAOYSA-N 0 0 419.441 4.014 20 5 HIBDRN CCC(CC)(CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000461057621 873932423 /nfs/dbraw/zinc/93/24/23/873932423.db2.gz KEVQCOBOBCEQHX-UHFFFAOYSA-N 0 0 416.474 4.108 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c1 ZINC000461090016 874004445 /nfs/dbraw/zinc/00/44/45/874004445.db2.gz YDGVBESTDSIQEB-UHFFFAOYSA-N 0 0 408.483 4.442 20 5 HIBDRN Cc1cccc(Cl)c1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000461114297 874038389 /nfs/dbraw/zinc/03/83/89/874038389.db2.gz PSINSJMMMCDAKX-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCO2)C2CC2)c1 ZINC000461122847 874051631 /nfs/dbraw/zinc/05/16/31/874051631.db2.gz HGBQZFWNSRZHBR-OAQYLSRUSA-N 0 0 419.485 4.201 20 5 HIBDRN CC(C)CCc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@@H]1CCCO1 ZINC000461126755 874057355 /nfs/dbraw/zinc/05/73/55/874057355.db2.gz JPRGVLKFKJOGJC-IBGZPJMESA-N 0 0 413.522 4.123 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@H]3c3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000461129029 874062288 /nfs/dbraw/zinc/06/22/88/874062288.db2.gz MNMPHSVGNPGYQM-RTWAWAEBSA-N 0 0 419.485 4.374 20 5 HIBDRN CC(C)N(Cc1ccco1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000461129031 874063022 /nfs/dbraw/zinc/06/30/22/874063022.db2.gz MNQZZUYVYHLCHF-IBGZPJMESA-N 0 0 411.462 4.040 20 5 HIBDRN Cc1ccc2c(c1)CCN2c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000461140531 874082065 /nfs/dbraw/zinc/08/20/65/874082065.db2.gz JXSYBRZIUQTCTO-IBGZPJMESA-N 0 0 405.458 4.035 20 5 HIBDRN Cc1ccccc1-c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000461165252 874129256 /nfs/dbraw/zinc/12/92/56/874129256.db2.gz SAPPYOOAZOZLEE-HXUWFJFHSA-N 0 0 421.501 4.020 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000461179743 874164088 /nfs/dbraw/zinc/16/40/88/874164088.db2.gz JTDQANXCOGMZMB-UHFFFAOYSA-N 0 0 408.483 4.484 20 5 HIBDRN CC(C)c1ccc(C[C@H]2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)cc1 ZINC000461189357 874183066 /nfs/dbraw/zinc/18/30/66/874183066.db2.gz DAAASEAKBHVLEE-GOSISDBHSA-N 0 0 419.485 4.004 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000461194578 874193379 /nfs/dbraw/zinc/19/33/79/874193379.db2.gz VEEBDIMGWUYXBD-UHFFFAOYSA-N 0 0 413.380 4.394 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCn2cncc2C1 ZINC000461195046 874193832 /nfs/dbraw/zinc/19/38/32/874193832.db2.gz MJHWCJKVKGFEMT-UHFFFAOYSA-N 0 0 414.874 4.252 20 5 HIBDRN CO[C@@H]1CCOc2c(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000468690562 882814547 /nfs/dbraw/zinc/81/45/47/882814547.db2.gz ZMRQEMQAXVYVJQ-BDJLRTHQSA-N 0 0 406.822 4.124 20 5 HIBDRN CSC[C@@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1 ZINC000461326843 874337338 /nfs/dbraw/zinc/33/73/38/874337338.db2.gz YZEDHLBWQQSOEZ-INIZCTEOSA-N 0 0 415.544 4.295 20 5 HIBDRN Cc1cnn([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C2)c1 ZINC000461363824 874366284 /nfs/dbraw/zinc/36/62/84/874366284.db2.gz OOXYMRPJQUBAEX-KRWDZBQOSA-N 0 0 408.483 4.338 20 5 HIBDRN Cc1nc(-c2cccs2)sc1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461386167 874392642 /nfs/dbraw/zinc/39/26/42/874392642.db2.gz KCTIAQMFHDEPKC-UHFFFAOYSA-N 0 0 401.469 4.123 20 5 HIBDRN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000468739704 882837255 /nfs/dbraw/zinc/83/72/55/882837255.db2.gz RHGWYHZDMNTQBL-NSHDSACASA-N 0 0 402.394 4.233 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(C(=O)N2CCCC[C@H]2CCO)c1 ZINC000468741277 882838189 /nfs/dbraw/zinc/83/81/89/882838189.db2.gz YZUAUTBWMONGMS-RRXSNJIPSA-N 0 0 423.513 4.487 20 5 HIBDRN Nc1c(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cccc1[N+](=O)[O-] ZINC000468742750 882839028 /nfs/dbraw/zinc/83/90/28/882839028.db2.gz IJXYHUXYNQJXHT-UHFFFAOYSA-N 0 0 422.388 4.249 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1csc(CNC(=O)c2ccccc2)n1 ZINC000468746359 882840488 /nfs/dbraw/zinc/84/04/88/882840488.db2.gz GZIKWPOQKPLSOU-YBEGLDIGSA-N 0 0 422.510 4.174 20 5 HIBDRN C[C@H]1SCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)[C@@H]1C ZINC000461497261 874568566 /nfs/dbraw/zinc/56/85/66/874568566.db2.gz KBJJQONTYQJELH-ZIAGYGMSSA-N 0 0 415.544 4.293 20 5 HIBDRN Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000468748245 882841465 /nfs/dbraw/zinc/84/14/65/882841465.db2.gz OKUNAHKYXFQOAB-UHFFFAOYSA-N 0 0 419.416 4.431 20 5 HIBDRN COCCN(CC(C)C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1 ZINC000461506279 874582161 /nfs/dbraw/zinc/58/21/61/874582161.db2.gz HYKXNDXIRLVIFN-UHFFFAOYSA-N 0 0 415.519 4.072 20 5 HIBDRN C[C@H]1c2ccccc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 ZINC000461535166 874622406 /nfs/dbraw/zinc/62/24/06/874622406.db2.gz KVYKGDYFVBHCGX-DLBZAZTESA-N 0 0 419.485 4.014 20 5 HIBDRN Cc1ccc([C@@H](C)N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)cc1 ZINC000461536301 874622433 /nfs/dbraw/zinc/62/24/33/874622433.db2.gz VRQFWFLLRVCMKT-MSOLQXFVSA-N 0 0 421.501 4.396 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C12CCCCC2 ZINC000461549516 874636119 /nfs/dbraw/zinc/63/61/19/874636119.db2.gz XLQCCVNJECCTES-WOJBJXKFSA-N 0 0 401.507 4.053 20 5 HIBDRN CC(C)C[C@@H]1CCCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 ZINC000461590069 874706731 /nfs/dbraw/zinc/70/67/31/874706731.db2.gz LNIVUVNAWMQWLO-MJGOQNOKSA-N 0 0 413.522 4.295 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3C3CCCC3)n2C[C@H]2CCOC2)c1 ZINC000461590783 874708377 /nfs/dbraw/zinc/70/83/77/874708377.db2.gz CCDVNDBFQOYFQR-UZLBHIALSA-N 0 0 411.506 4.049 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccc2)n1C[C@@H]1CCOC1 ZINC000461609587 874749975 /nfs/dbraw/zinc/74/99/75/874749975.db2.gz ODJDEEPBJOXXCO-IBGZPJMESA-N 0 0 421.501 4.305 20 5 HIBDRN Cc1cc(N2CCC[C@H](c3nnc4ccccn43)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461720317 874869638 /nfs/dbraw/zinc/86/96/38/874869638.db2.gz UCUXPMBNGHSXTO-ZDUSSCGKSA-N 0 0 405.380 4.349 20 5 HIBDRN Cc1ccc(CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])Cc2ccco2)cc1 ZINC000461769564 874900789 /nfs/dbraw/zinc/90/07/89/874900789.db2.gz SSJPGNKTQZMXDE-UHFFFAOYSA-N 0 0 407.470 4.488 20 5 HIBDRN CC(C)(C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000468820605 882875718 /nfs/dbraw/zinc/87/57/18/882875718.db2.gz DNGWKXFKKFPWLH-UHFFFAOYSA-N 0 0 416.424 4.272 20 5 HIBDRN CSCC[C@@H](C)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 ZINC000461805182 874918196 /nfs/dbraw/zinc/91/81/96/874918196.db2.gz ANAFWSGWTQDHHN-QAPCUYQASA-N 0 0 419.551 4.000 20 5 HIBDRN CC(C)C[C@@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 ZINC000461806655 874919615 /nfs/dbraw/zinc/91/96/15/874919615.db2.gz DJLZPZAIADJUIA-PMACEKPBSA-N 0 0 413.522 4.437 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@H]4CCC[C@H]43)n2C[C@@H]2CCCCO2)cc1 ZINC000461820596 874944665 /nfs/dbraw/zinc/94/46/65/874944665.db2.gz FOELDPFTHXXMLL-FFZOFVMBSA-N 0 0 411.506 4.191 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2ccccc2)n1C[C@@H]1CCCCO1 ZINC000461827342 874956882 /nfs/dbraw/zinc/95/68/82/874956882.db2.gz GAZWPQBWHYRPDL-FQEVSTJZSA-N 0 0 421.501 4.101 20 5 HIBDRN CC(C)(C)c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@@H]1CCCCO1 ZINC000461858272 875004611 /nfs/dbraw/zinc/00/46/11/875004611.db2.gz VDTYULMUEQVXIU-IBGZPJMESA-N 0 0 413.522 4.222 20 5 HIBDRN COCCOCc1ccc(CNc2cc(C)c([N+](=O)[O-])cc2Br)cc1 ZINC000461881449 875033916 /nfs/dbraw/zinc/03/39/16/875033916.db2.gz IABDVJNEJIWGAG-UHFFFAOYSA-N 0 0 409.280 4.441 20 5 HIBDRN Cc1cc(NCCc2nnc(-c3ccccc3)n2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461937588 875073460 /nfs/dbraw/zinc/07/34/60/875073460.db2.gz VPHVSVOEXRENFE-UHFFFAOYSA-N 0 0 405.380 4.372 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@H](C)c3cccc(O)c32)cc1[N+](=O)[O-] ZINC000468856023 882892515 /nfs/dbraw/zinc/89/25/15/882892515.db2.gz DKJCCDNNBCYOOZ-ZDUSSCGKSA-N 0 0 402.472 4.083 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1c1cc(C)c([N+](=O)[O-])cc1F ZINC000461946028 875078559 /nfs/dbraw/zinc/07/85/59/875078559.db2.gz YSLKSEDGTBXHJM-JOCHJYFZSA-N 0 0 424.476 4.482 20 5 HIBDRN Cc1cc(CN2C[C@@H](F)C[C@H]2CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)on1 ZINC000461950454 875080945 /nfs/dbraw/zinc/08/09/45/875080945.db2.gz XZUCHDJLKHQPCH-STQMWFEESA-N 0 0 416.375 4.243 20 5 HIBDRN Cc1cc(N2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461953435 875084332 /nfs/dbraw/zinc/08/43/32/875084332.db2.gz DPQIQMKTNRDKHT-CYBMUJFWSA-N 0 0 417.466 4.037 20 5 HIBDRN Cc1c(Br)c(N[C@@H]2CCOc3c(F)ccc(F)c32)ncc1[N+](=O)[O-] ZINC000461997045 875118397 /nfs/dbraw/zinc/11/83/97/875118397.db2.gz SBMBYOHCPGTLQK-SNVBAGLBSA-N 0 0 400.179 4.275 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000462100527 875210024 /nfs/dbraw/zinc/21/00/24/875210024.db2.gz HKMUSBNJJDLZRL-UHFFFAOYSA-N 0 0 406.407 4.028 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3ccc(-n4cncn4)c(C)c3)n2)cc1[N+](=O)[O-] ZINC000462111396 875217301 /nfs/dbraw/zinc/21/73/01/875217301.db2.gz ZLNDBGIDJIKGOG-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)s3)CC2)cc1OC(F)F ZINC000462117013 875220742 /nfs/dbraw/zinc/22/07/42/875220742.db2.gz AOBBNSLBRLPKEC-UHFFFAOYSA-N 0 0 403.838 4.233 20 5 HIBDRN NC(=O)c1ccc(CNc2cc(Br)cc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000462173166 875270387 /nfs/dbraw/zinc/27/03/87/875270387.db2.gz ALZZFJFKLIQOHI-UHFFFAOYSA-N 0 0 418.169 4.087 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H]3CCO[C@H](C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000462174735 875271858 /nfs/dbraw/zinc/27/18/58/875271858.db2.gz IHIBEGQQVJNUEF-HOCLYGCPSA-N 0 0 419.528 4.198 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462175445 875275329 /nfs/dbraw/zinc/27/53/29/875275329.db2.gz LJAZWSZVCFCYKU-UHFFFAOYSA-N 0 0 405.332 4.241 20 5 HIBDRN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000462199416 875308812 /nfs/dbraw/zinc/30/88/12/875308812.db2.gz MEOOAVRFPGKYPC-UHFFFAOYSA-N 0 0 405.520 4.163 20 5 HIBDRN Cc1c(CNc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000462205656 875315001 /nfs/dbraw/zinc/31/50/01/875315001.db2.gz AHVCTIACOWDNAM-UHFFFAOYSA-N 0 0 419.437 4.174 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(N2CCCCC2)cc1C(N)=O ZINC000462213133 875321803 /nfs/dbraw/zinc/32/18/03/875321803.db2.gz KEFMXZRQCQDFKS-UHFFFAOYSA-N 0 0 412.490 4.083 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1 ZINC000462371602 875484278 /nfs/dbraw/zinc/48/42/78/875484278.db2.gz VUZGFOKKGPEKQB-VBKFSLOCSA-N 0 0 419.437 4.204 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000462394018 875503059 /nfs/dbraw/zinc/50/30/59/875503059.db2.gz CZECNVDLZNEVNL-QGZVFWFLSA-N 0 0 422.485 4.250 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000462398577 875507270 /nfs/dbraw/zinc/50/72/70/875507270.db2.gz ZNWRBGJYWGTQMN-CYBMUJFWSA-N 0 0 402.275 4.145 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000462415480 875522493 /nfs/dbraw/zinc/52/24/93/875522493.db2.gz GNBYOTWEVVKWLL-HOCLYGCPSA-N 0 0 416.474 4.067 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000462415253 875522795 /nfs/dbraw/zinc/52/27/95/875522795.db2.gz GNBYOTWEVVKWLL-GDBMZVCRSA-N 0 0 416.474 4.067 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000462417884 875525032 /nfs/dbraw/zinc/52/50/32/875525032.db2.gz OBVMGWGEMVFXNY-UHFFFAOYSA-N 0 0 420.393 4.144 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000462419105 875526477 /nfs/dbraw/zinc/52/64/77/875526477.db2.gz IWZUWMUKUYJNFE-NVXWUHKLSA-N 0 0 424.501 4.325 20 5 HIBDRN COc1cccc(Cl)c1CC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000462423795 875531426 /nfs/dbraw/zinc/53/14/26/875531426.db2.gz BECQXAYREQVYSX-UHFFFAOYSA-N 0 0 416.783 4.390 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000462427996 875535243 /nfs/dbraw/zinc/53/52/43/875535243.db2.gz LNNUPZABGLVNRP-MRXNPFEDSA-N 0 0 410.392 4.421 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000462431806 875536558 /nfs/dbraw/zinc/53/65/58/875536558.db2.gz ZGPMWVGMWUJWJD-HBGVWJBISA-N 0 0 400.450 4.339 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000462431808 875537046 /nfs/dbraw/zinc/53/70/46/875537046.db2.gz ZGPMWVGMWUJWJD-TYCQWZJGSA-N 0 0 400.450 4.339 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000462432050 875539633 /nfs/dbraw/zinc/53/96/33/875539633.db2.gz YJGVAIJKIHYSET-ZDUSSCGKSA-N 0 0 401.488 4.414 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000462434833 875540407 /nfs/dbraw/zinc/54/04/07/875540407.db2.gz CKKKBJQAQJYUTN-FQEVSTJZSA-N 0 0 419.481 4.454 20 5 HIBDRN C[C@H](c1ccsc1)N1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000462477071 875583704 /nfs/dbraw/zinc/58/37/04/875583704.db2.gz VJMLONHFTHPSOK-HUUCEWRRSA-N 0 0 413.503 4.146 20 5 HIBDRN C[C@H](c1ccsc1)N1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000462477069 875584687 /nfs/dbraw/zinc/58/46/87/875584687.db2.gz VJMLONHFTHPSOK-CABCVRRESA-N 0 0 413.503 4.146 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000462480716 875589180 /nfs/dbraw/zinc/58/91/80/875589180.db2.gz OHBSNGRKQFBMAV-KRWDZBQOSA-N 0 0 412.486 4.029 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000462482388 875590963 /nfs/dbraw/zinc/59/09/63/875590963.db2.gz WVDUCLVTNNRQRV-KSFYIVLOSA-N 0 0 410.470 4.202 20 5 HIBDRN CCOc1ccc(CN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462481430 875591725 /nfs/dbraw/zinc/59/17/25/875591725.db2.gz XQORRWLVZDSMLB-UHFFFAOYSA-N 0 0 419.286 4.121 20 5 HIBDRN COc1cccc([C@H]2CN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CCO2)c1 ZINC000462484696 875593970 /nfs/dbraw/zinc/59/39/70/875593970.db2.gz TUJORDHIYOBAAA-OAQYLSRUSA-N 0 0 421.453 4.155 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000462490605 875602111 /nfs/dbraw/zinc/60/21/11/875602111.db2.gz PRTMOCUPKIULGW-MRXNPFEDSA-N 0 0 401.532 4.248 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000462494122 875606539 /nfs/dbraw/zinc/60/65/39/875606539.db2.gz KIWLMMHPHYYAIH-QFBILLFUSA-N 0 0 423.473 4.122 20 5 HIBDRN CC(C)c1nc(C2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)no1 ZINC000462503705 875619426 /nfs/dbraw/zinc/61/94/26/875619426.db2.gz RZVGFFCACQOUDC-UHFFFAOYSA-N 0 0 423.473 4.459 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](CSc3ccccc3)C2)c1C ZINC000462584294 875704084 /nfs/dbraw/zinc/70/40/84/875704084.db2.gz YSYVABCSNQLMDO-MRXNPFEDSA-N 0 0 406.529 4.015 20 5 HIBDRN Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000462586924 875705118 /nfs/dbraw/zinc/70/51/18/875705118.db2.gz BLUZKCNMFSNSLS-UHFFFAOYSA-N 0 0 408.439 4.079 20 5 HIBDRN COc1cc(C)c(Br)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000462590552 875708858 /nfs/dbraw/zinc/70/88/58/875708858.db2.gz GYDCRRIBVZGOCO-UHFFFAOYSA-N 0 0 408.252 4.115 20 5 HIBDRN Cc1ccc(Br)c(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000462606692 875720397 /nfs/dbraw/zinc/72/03/97/875720397.db2.gz QVNQSSBMSMDNSM-UHFFFAOYSA-N 0 0 400.232 4.197 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000462609134 875721719 /nfs/dbraw/zinc/72/17/19/875721719.db2.gz BVNPEDYRTFGDAL-CQSZACIVSA-N 0 0 414.849 4.183 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC000462613655 875726284 /nfs/dbraw/zinc/72/62/84/875726284.db2.gz IQQRJLSFZQEHDH-NRFANRHFSA-N 0 0 419.481 4.454 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000462618116 875730184 /nfs/dbraw/zinc/73/01/84/875730184.db2.gz ONZOHHTZUSAMQW-INIZCTEOSA-N 0 0 418.440 4.264 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H](OC)c1ccc(OC)cc1 ZINC000462626747 875738168 /nfs/dbraw/zinc/73/81/68/875738168.db2.gz OPDHXOYVTPAZJY-QLVMHMETSA-N 0 0 400.475 4.065 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000462629818 875741847 /nfs/dbraw/zinc/74/18/47/875741847.db2.gz GDPMLAINLSXRTD-XMCHAPAWSA-N 0 0 404.413 4.088 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000462630778 875742935 /nfs/dbraw/zinc/74/29/35/875742935.db2.gz LFDAWMJUIMIICW-SFHVURJKSA-N 0 0 424.497 4.294 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000462636588 875747821 /nfs/dbraw/zinc/74/78/21/875747821.db2.gz JFNWTUQHBMXRKW-GDBMZVCRSA-N 0 0 400.479 4.472 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462646867 875756781 /nfs/dbraw/zinc/75/67/81/875756781.db2.gz IKGNWSBHNXMQOE-CTYIDZIISA-N 0 0 407.239 4.101 20 5 HIBDRN CCN([C@@H](Cc1ccc(F)cc1)C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000462662624 875765461 /nfs/dbraw/zinc/76/54/61/875765461.db2.gz SBAZZCQBBRXICD-SFHVURJKSA-N 0 0 424.494 4.020 20 5 HIBDRN Cc1nc(COc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000462665240 875765823 /nfs/dbraw/zinc/76/58/23/875765823.db2.gz WHVRGENHCIWXPD-UHFFFAOYSA-N 0 0 423.212 4.424 20 5 HIBDRN Cn1cc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c(-c2ccccc2)n1 ZINC000462692722 875783096 /nfs/dbraw/zinc/78/30/96/875783096.db2.gz QGRQCTBHPQJREF-UHFFFAOYSA-N 0 0 415.453 4.581 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)nc1OCc1ccccc1 ZINC000462699251 875788219 /nfs/dbraw/zinc/78/82/19/875788219.db2.gz SFPXIGREEBCGEQ-FPOVZHCZSA-N 0 0 423.444 5.040 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000462742490 875812852 /nfs/dbraw/zinc/81/28/52/875812852.db2.gz FIACYGJJORMUCZ-FQEVSTJZSA-N 0 0 413.493 4.037 20 5 HIBDRN CNc1c(C(=O)N2CC=C(c3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] ZINC000462759048 875822710 /nfs/dbraw/zinc/82/27/10/875822710.db2.gz VWAASDFVRIGTOE-UHFFFAOYSA-N 0 0 416.275 4.329 20 5 HIBDRN O=C(Nc1cc2c(cn1)CCCC2)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000462768617 875828417 /nfs/dbraw/zinc/82/84/17/875828417.db2.gz PTGXPXYQCLDKAU-UHFFFAOYSA-N 0 0 405.404 4.486 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000462774365 875833212 /nfs/dbraw/zinc/83/32/12/875833212.db2.gz NXZKTTLAENWSTG-AZUAARDMSA-N 0 0 406.486 4.204 20 5 HIBDRN CNc1c(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cccc1[N+](=O)[O-] ZINC000462776740 875834743 /nfs/dbraw/zinc/83/47/43/875834743.db2.gz FBDFEWLWYZOOGY-SNVBAGLBSA-N 0 0 414.409 4.132 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c1 ZINC000462778260 875834928 /nfs/dbraw/zinc/83/49/28/875834928.db2.gz OSVZLGCUOWJMJM-UHFFFAOYSA-N 0 0 405.454 4.454 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3sc4ccccc4c3C)CC2)c1 ZINC000462850982 875885738 /nfs/dbraw/zinc/88/57/38/875885738.db2.gz HATNRPFYJNTEMH-UHFFFAOYSA-N 0 0 411.483 4.089 20 5 HIBDRN CN(CCc1cccc(Br)c1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000462858157 875891055 /nfs/dbraw/zinc/89/10/55/875891055.db2.gz ZLSMQGOXZXRVPF-UHFFFAOYSA-N 0 0 402.248 4.153 20 5 HIBDRN COC(C)(C)C[C@@H](C)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000462893109 875919361 /nfs/dbraw/zinc/91/93/61/875919361.db2.gz KUUQSYXGSLBOFF-CQSZACIVSA-N 0 0 407.492 4.011 20 5 HIBDRN COC(C)(C)C[C@H](C)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000462893108 875919668 /nfs/dbraw/zinc/91/96/68/875919668.db2.gz KUUQSYXGSLBOFF-AWEZNQCLSA-N 0 0 407.492 4.011 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2[N+](=O)[O-])CC1 ZINC000462914894 875941112 /nfs/dbraw/zinc/94/11/12/875941112.db2.gz RNYMNEIQVCCBLW-NFBKMPQASA-N 0 0 423.513 4.481 20 5 HIBDRN CC1(C)[C@@H](O)CCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000462931274 875959256 /nfs/dbraw/zinc/95/92/56/875959256.db2.gz FTTODTKTJSQRPE-INIZCTEOSA-N 0 0 406.891 4.385 20 5 HIBDRN CS(=O)(=O)c1cccc([C@@H](Nc2ccccc2[N+](=O)[O-])c2cc(F)ccc2F)c1 ZINC000462932884 875960171 /nfs/dbraw/zinc/96/01/71/875960171.db2.gz OHRCROIEGSMGTE-HXUWFJFHSA-N 0 0 418.421 4.478 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccccc2OC(F)(F)F)c2ccncc21 ZINC000462941167 875963962 /nfs/dbraw/zinc/96/39/62/875963962.db2.gz IUKCDISOSWYJGM-ZDUSSCGKSA-N 0 0 421.375 4.305 20 5 HIBDRN CNc1c(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cccc1[N+](=O)[O-] ZINC000462989795 876004045 /nfs/dbraw/zinc/00/40/45/876004045.db2.gz HLQIALIDTQZVLP-UHFFFAOYSA-N 0 0 405.336 4.093 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000462989845 876004197 /nfs/dbraw/zinc/00/41/97/876004197.db2.gz LVQJEBXGEJURMF-HKUYNNGSSA-N 0 0 412.461 4.424 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000462989848 876004363 /nfs/dbraw/zinc/00/43/63/876004363.db2.gz LVQJEBXGEJURMF-PKOBYXMFSA-N 0 0 412.461 4.424 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000468928468 882990605 /nfs/dbraw/zinc/99/06/05/882990605.db2.gz JUJUFMASVOLHQZ-OCCSQVGLSA-N 0 0 421.881 4.409 20 5 HIBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccnc(Oc2cccc(C)c2C)c1 ZINC000463026174 876045834 /nfs/dbraw/zinc/04/58/34/876045834.db2.gz ZNVFTKNNJVMNQZ-UHFFFAOYSA-N 0 0 406.442 4.371 20 5 HIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000463041831 876066693 /nfs/dbraw/zinc/06/66/93/876066693.db2.gz HYWCNPOHIPFHDY-OAQYLSRUSA-N 0 0 406.429 4.013 20 5 HIBDRN COc1ccccc1-n1ncc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1C ZINC000463055822 876083247 /nfs/dbraw/zinc/08/32/47/876083247.db2.gz NZFWLGZUZGGKSW-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN CS(=O)(=O)c1cccc([C@@H](Nc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)c1 ZINC000463075667 876107850 /nfs/dbraw/zinc/10/78/50/876107850.db2.gz CZAPCZHZBXCBHQ-FQEVSTJZSA-N 0 0 400.431 4.339 20 5 HIBDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000463122244 876165056 /nfs/dbraw/zinc/16/50/56/876165056.db2.gz HZAMBYDUFOVMBF-GFCCVEGCSA-N 0 0 423.391 4.072 20 5 HIBDRN Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000463128121 876172505 /nfs/dbraw/zinc/17/25/05/876172505.db2.gz DYQCPOHOSUNDNL-UHFFFAOYSA-N 0 0 404.470 4.137 20 5 HIBDRN CC1CCN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cn2)CC1 ZINC000463128303 876174178 /nfs/dbraw/zinc/17/41/78/876174178.db2.gz DGBMYOKQOONTCU-UHFFFAOYSA-N 0 0 422.407 4.175 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Nc2cnn(C)c2)c1 ZINC000468936974 883001167 /nfs/dbraw/zinc/00/11/67/883001167.db2.gz KEFJZWPIULUSCH-GFCCVEGCSA-N 0 0 415.837 4.131 20 5 HIBDRN Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)c2)n1 ZINC000463133099 876180531 /nfs/dbraw/zinc/18/05/31/876180531.db2.gz WUGWVBBJRBUFIW-UHFFFAOYSA-N 0 0 401.426 4.257 20 5 HIBDRN COc1ccc([C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000463139737 876190710 /nfs/dbraw/zinc/19/07/10/876190710.db2.gz HWXMDNDPJIZQHP-XMMPIXPASA-N 0 0 419.481 4.254 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CSc3nnc(CCc4ccccc4)o3)n2)c1 ZINC000463218009 876277112 /nfs/dbraw/zinc/27/71/12/876277112.db2.gz IAXIJCDAYLXZTG-UHFFFAOYSA-N 0 0 409.427 4.105 20 5 HIBDRN O=[N+]([O-])c1cc(CSc2nnc(CCCc3ccccc3)o2)c2c(c1)COCO2 ZINC000463232226 876288400 /nfs/dbraw/zinc/28/84/00/876288400.db2.gz RHSNGJJRGWOBQQ-UHFFFAOYSA-N 0 0 413.455 4.312 20 5 HIBDRN CC(=O)Nc1cccc(Nc2nnc(S[C@@H](C)c3ccccc3[N+](=O)[O-])s2)c1 ZINC000463258964 876317078 /nfs/dbraw/zinc/31/70/78/876317078.db2.gz OJMDSMCYWBNRPC-NSHDSACASA-N 0 0 415.500 5.002 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000463281241 876338400 /nfs/dbraw/zinc/33/84/00/876338400.db2.gz PINFKXCIZDQIDR-MRXNPFEDSA-N 0 0 414.767 4.481 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000468953120 883020401 /nfs/dbraw/zinc/02/04/01/883020401.db2.gz NDDSQTVYAPOABS-GFCCVEGCSA-N 0 0 423.541 4.470 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cccc2c1CC(=O)CC2 ZINC000463295673 876356712 /nfs/dbraw/zinc/35/67/12/876356712.db2.gz NVAOKNDZFFDTAL-UHFFFAOYSA-N 0 0 414.417 4.136 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000463392744 876448690 /nfs/dbraw/zinc/44/86/90/876448690.db2.gz MXFVEEURRNUQGC-NSHDSACASA-N 0 0 412.364 4.430 20 5 HIBDRN CCCn1c(=O)c2ccccc2nc1SCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463396097 876449581 /nfs/dbraw/zinc/44/95/81/876449581.db2.gz LQRQDIOYMXNKKY-UHFFFAOYSA-N 0 0 403.435 4.155 20 5 HIBDRN CCCCNC(=O)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000463394620 876449901 /nfs/dbraw/zinc/44/99/01/876449901.db2.gz QFXWDIGZXBDGDE-UHFFFAOYSA-N 0 0 423.391 4.074 20 5 HIBDRN C[C@@H](NC(=O)N(C)CCc1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000463407950 876462380 /nfs/dbraw/zinc/46/23/80/876462380.db2.gz XFDCNTMWSODFBW-CYBMUJFWSA-N 0 0 406.280 4.302 20 5 HIBDRN CCN(C[C@@H](C)OC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000463427573 876482669 /nfs/dbraw/zinc/48/26/69/876482669.db2.gz GKFJXQVIZYUINO-KUHUBIRLSA-N 0 0 405.882 4.285 20 5 HIBDRN CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000468968589 883035714 /nfs/dbraw/zinc/03/57/14/883035714.db2.gz LHDAIQXAFWWRHS-UHFFFAOYSA-N 0 0 420.469 4.658 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000463477905 876536939 /nfs/dbraw/zinc/53/69/39/876536939.db2.gz FTNNZWCAGLUJBC-UHFFFAOYSA-N 0 0 413.783 4.229 20 5 HIBDRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000463539212 876619322 /nfs/dbraw/zinc/61/93/22/876619322.db2.gz OXJUWBXJAYUAAZ-CQSZACIVSA-N 0 0 416.499 4.184 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000463538901 876619449 /nfs/dbraw/zinc/61/94/49/876619449.db2.gz CISAQSNQOOKCAE-MRXNPFEDSA-N 0 0 416.302 4.106 20 5 HIBDRN CN(CC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1ccccc1[N+](=O)[O-] ZINC000463598636 876712692 /nfs/dbraw/zinc/71/26/92/876712692.db2.gz YDMZTCNFYXIXCC-HXUWFJFHSA-N 0 0 417.465 4.338 20 5 HIBDRN COc1cc(C(=O)NCc2ccc[nH]2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000468992185 883059078 /nfs/dbraw/zinc/05/90/78/883059078.db2.gz PTEHLCFHOWHGQJ-UHFFFAOYSA-N 0 0 401.806 4.307 20 5 HIBDRN O=C(Cc1nc2cc3ccccc3cc2c(=O)[nH]1)NCc1ccccc1Br ZINC000468993372 883059493 /nfs/dbraw/zinc/05/94/93/883059493.db2.gz NLKDCJUFKWNBDQ-UHFFFAOYSA-N 0 0 422.282 4.110 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCc1cccc(Br)c1 ZINC000463658633 876779407 /nfs/dbraw/zinc/77/94/07/876779407.db2.gz CTYUNYCSCXANOD-UHFFFAOYSA-N 0 0 408.252 4.072 20 5 HIBDRN CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463670595 876792478 /nfs/dbraw/zinc/79/24/78/876792478.db2.gz RPWZXFTXIGDOQQ-CYBMUJFWSA-N 0 0 403.435 4.054 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)cc([N+](=O)[O-])c1 ZINC000463699416 876819412 /nfs/dbraw/zinc/81/94/12/876819412.db2.gz ZCOAKHYDLMBTJO-UHFFFAOYSA-N 0 0 421.331 4.144 20 5 HIBDRN C[S@](=O)Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl ZINC000463730577 876851606 /nfs/dbraw/zinc/85/16/06/876851606.db2.gz QBKPWRNIUGYYFF-MHZLTWQESA-N 0 0 420.796 4.398 20 5 HIBDRN NC(=O)c1ccc(N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c([N+](=O)[O-])c1 ZINC000463747469 876870173 /nfs/dbraw/zinc/87/01/73/876870173.db2.gz UHRDXIAOJXVDAK-OAHLLOKOSA-N 0 0 412.446 4.446 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc12 ZINC000469006721 883075038 /nfs/dbraw/zinc/07/50/38/883075038.db2.gz MCTXOQKBXPNBNX-UHFFFAOYSA-N 0 0 414.801 4.206 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000469017894 883083945 /nfs/dbraw/zinc/08/39/45/883083945.db2.gz ONHRUXYFOLJLRJ-RAXLEYEMSA-N 0 0 403.364 4.710 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000469017732 883085051 /nfs/dbraw/zinc/08/50/51/883085051.db2.gz LTXIUCIHHVWBQN-GFCCVEGCSA-N 0 0 418.837 4.324 20 5 HIBDRN Cc1ccc(NC(=O)N(CCCOc2ccccc2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000463945448 877066267 /nfs/dbraw/zinc/06/62/67/877066267.db2.gz QZEQHGIZFCEDPR-UHFFFAOYSA-N 0 0 413.474 4.385 20 5 HIBDRN Cc1c(NC(=O)N(CCCOc2ccccc2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000463950921 877072696 /nfs/dbraw/zinc/07/26/96/877072696.db2.gz ZNSQQTJBDPSYBZ-UHFFFAOYSA-N 0 0 413.474 4.385 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000463955846 877078673 /nfs/dbraw/zinc/07/86/73/877078673.db2.gz RRLXJFCXLSDTAX-UHFFFAOYSA-N 0 0 405.458 4.208 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000463955964 877078796 /nfs/dbraw/zinc/07/87/96/877078796.db2.gz WJHSLYBIKXSKPL-UHFFFAOYSA-N 0 0 407.474 4.460 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000464031997 877166800 /nfs/dbraw/zinc/16/68/00/877166800.db2.gz OVDSVQCTIHHPRX-MRXNPFEDSA-N 0 0 418.453 4.090 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000464041478 877179570 /nfs/dbraw/zinc/17/95/70/877179570.db2.gz LNZUGXLIBIPFJX-CYBMUJFWSA-N 0 0 423.391 4.389 20 5 HIBDRN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000464045378 877186133 /nfs/dbraw/zinc/18/61/33/877186133.db2.gz NMJSCLWWBCSSGM-UXHICEINSA-N 0 0 404.470 4.497 20 5 HIBDRN COc1cc(CNc2ccccc2C(=O)N2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000464070978 877221350 /nfs/dbraw/zinc/22/13/50/877221350.db2.gz KDWYUNUJAWLXAR-UHFFFAOYSA-N 0 0 401.438 4.227 20 5 HIBDRN CCc1cnc(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000464130932 877289699 /nfs/dbraw/zinc/28/96/99/877289699.db2.gz AHTUCXXCRGMUHI-UHFFFAOYSA-N 0 0 419.450 4.084 20 5 HIBDRN CCCN(CCc1cccs1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000464179237 877348113 /nfs/dbraw/zinc/34/81/13/877348113.db2.gz AKKIFNGXTHUTJD-UHFFFAOYSA-N 0 0 401.532 4.354 20 5 HIBDRN CCC(=O)N1CSC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000464190198 877360428 /nfs/dbraw/zinc/36/04/28/877360428.db2.gz UIFFHGSDGIDKDC-CYBMUJFWSA-N 0 0 423.541 4.058 20 5 HIBDRN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@@H]1c1cccc(F)c1 ZINC000464202606 877372337 /nfs/dbraw/zinc/37/23/37/877372337.db2.gz CNSSPRHOWIBOLO-XCLFUZPHSA-N 0 0 415.446 4.054 20 5 HIBDRN Cn1c(C(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)ccc1[N+](=O)[O-] ZINC000464238828 877416154 /nfs/dbraw/zinc/41/61/54/877416154.db2.gz YIPUBLXLLRJTRB-ZDUSSCGKSA-N 0 0 400.435 4.003 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000464254866 877434175 /nfs/dbraw/zinc/43/41/75/877434175.db2.gz VTBYVBWEPCZJHB-LLVKDONJSA-N 0 0 420.343 4.256 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000464299783 877487845 /nfs/dbraw/zinc/48/78/45/877487845.db2.gz BHNDDWSSYLHIKS-CQSZACIVSA-N 0 0 406.225 4.106 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000464315374 877506672 /nfs/dbraw/zinc/50/66/72/877506672.db2.gz WXYPFEJCRBEBOD-HNNXBMFYSA-N 0 0 410.257 4.344 20 5 HIBDRN COc1cc(C(=O)N2CCc3c2cccc3-c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000464327546 877519020 /nfs/dbraw/zinc/51/90/20/877519020.db2.gz HHYPBTLKGOJKRR-UHFFFAOYSA-N 0 0 404.422 4.482 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000464331477 877521653 /nfs/dbraw/zinc/52/16/53/877521653.db2.gz DSKHLXTUPILWAO-UHFFFAOYSA-N 0 0 409.667 4.138 20 5 HIBDRN C[C@@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000464403140 877605516 /nfs/dbraw/zinc/60/55/16/877605516.db2.gz MVWIJPSLBRAJAL-ACJLOTCBSA-N 0 0 415.446 4.054 20 5 HIBDRN C[C@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000464403143 877605741 /nfs/dbraw/zinc/60/57/41/877605741.db2.gz MVWIJPSLBRAJAL-UGSOOPFHSA-N 0 0 415.446 4.054 20 5 HIBDRN Cc1ccccc1[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000464404625 877606938 /nfs/dbraw/zinc/60/69/38/877606938.db2.gz QOFIDGSDCPCOBE-HZPDHXFCSA-N 0 0 411.483 4.018 20 5 HIBDRN Cn1cc(C(=O)Nc2cccc(CC(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000464416725 877623458 /nfs/dbraw/zinc/62/34/58/877623458.db2.gz DMQFGXAPQWNCSC-UHFFFAOYSA-N 0 0 404.348 4.352 20 5 HIBDRN Cc1nccc(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 ZINC000464437433 877651822 /nfs/dbraw/zinc/65/18/22/877651822.db2.gz AXXVNUJEYWPCCF-UHFFFAOYSA-N 0 0 414.874 4.428 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000464449977 877665876 /nfs/dbraw/zinc/66/58/76/877665876.db2.gz VCDQOMNRWIIADB-CYBMUJFWSA-N 0 0 420.535 4.084 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NCc3cc(OC)c(F)cc3[N+](=O)[O-])n2)cc1 ZINC000464493796 877713063 /nfs/dbraw/zinc/71/30/63/877713063.db2.gz NIMVJYWJHHYHOK-GFCCVEGCSA-N 0 0 400.410 4.206 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000503292885 912276082 /nfs/dbraw/zinc/27/60/82/912276082.db2.gz VAKNDADUIFMGRM-UHFFFAOYSA-N 0 0 406.236 4.177 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1S(=O)(=O)C1CCCC1 ZINC000464579933 877802948 /nfs/dbraw/zinc/80/29/48/877802948.db2.gz DLHQZIJLGGAGBL-UHFFFAOYSA-N 0 0 422.890 4.146 20 5 HIBDRN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464624830 877843474 /nfs/dbraw/zinc/84/34/74/877843474.db2.gz ANGRLFLJSAFBOX-UHFFFAOYSA-N 0 0 410.348 4.177 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464636806 877853879 /nfs/dbraw/zinc/85/38/79/877853879.db2.gz YFFNLZJKFTUIEO-WOJBJXKFSA-N 0 0 400.862 4.422 20 5 HIBDRN O=C(Cc1ccccc1C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464639408 877856461 /nfs/dbraw/zinc/85/64/61/877856461.db2.gz ORXNQQVJELVFIT-UHFFFAOYSA-N 0 0 408.376 4.226 20 5 HIBDRN C[C@H]1CCc2sc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2C1 ZINC000464639957 877858346 /nfs/dbraw/zinc/85/83/46/877858346.db2.gz QMSYTSYCINAGDV-AWEZNQCLSA-N 0 0 400.500 4.465 20 5 HIBDRN O=C(c1ccc(F)c(Br)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464651802 877872111 /nfs/dbraw/zinc/87/21/11/877872111.db2.gz WYZSMQACSYXYOA-UHFFFAOYSA-N 0 0 423.238 4.180 20 5 HIBDRN Cc1cc(C(F)(F)F)ncc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464656784 877877780 /nfs/dbraw/zinc/87/77/80/877877780.db2.gz 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CCN(C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000464683898 877899345 /nfs/dbraw/zinc/89/93/45/877899345.db2.gz YQNDJONTWULZDE-ZIFCJYIRSA-N 0 0 417.550 4.497 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000464704820 877927112 /nfs/dbraw/zinc/92/71/12/877927112.db2.gz NJBBLLUNKWIDBR-UWJYYQICSA-N 0 0 400.500 4.279 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000464708647 877931215 /nfs/dbraw/zinc/93/12/15/877931215.db2.gz HWZQNTMLQOLDDV-SNVBAGLBSA-N 0 0 411.227 4.465 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(I)ccc1F ZINC000464720595 877947143 /nfs/dbraw/zinc/94/71/43/877947143.db2.gz RFHDRZOOLOOOEO-UHFFFAOYSA-N 0 0 414.174 4.153 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1nccn1Cc1ccccc1 ZINC000464724945 877956823 /nfs/dbraw/zinc/95/68/23/877956823.db2.gz KEEKOHUOIIGTAZ-INIZCTEOSA-N 0 0 418.457 4.083 20 5 HIBDRN CSc1cc(C)ccc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464759075 877999768 /nfs/dbraw/zinc/99/97/68/877999768.db2.gz VGBBTVXLPAEZHT-UHFFFAOYSA-N 0 0 415.515 4.378 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464776184 878019338 /nfs/dbraw/zinc/01/93/38/878019338.db2.gz KQNBMQFNMWHBSJ-CQSZACIVSA-N 0 0 403.866 4.119 20 5 HIBDRN O=C(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000464778363 878020794 /nfs/dbraw/zinc/02/07/94/878020794.db2.gz NTTPXCNCZVWQJK-UHFFFAOYSA-N 0 0 423.391 4.096 20 5 HIBDRN Cc1ccc(CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]2CCCO2)cc1 ZINC000464777738 878021219 /nfs/dbraw/zinc/02/12/19/878021219.db2.gz PBRPUTTUHYOURY-OAQYLSRUSA-N 0 0 422.485 4.177 20 5 HIBDRN Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782624 878027942 /nfs/dbraw/zinc/02/79/42/878027942.db2.gz YUNZGWZKHFHCCX-MSOLQXFVSA-N 0 0 411.502 4.012 20 5 HIBDRN CCOc1cccc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1OC(F)F ZINC000464814012 878065921 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413.474 4.036 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1cccc(OC)c1 ZINC000503404633 912384225 /nfs/dbraw/zinc/38/42/25/912384225.db2.gz SZESELMEWTVBOB-AWEZNQCLSA-N 0 0 404.488 4.303 20 5 HIBDRN O=C(N[C@H]1CCSc2ccccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465403754 878839908 /nfs/dbraw/zinc/83/99/08/878839908.db2.gz OHJIIWCXXGHINH-IBGZPJMESA-N 0 0 413.499 4.385 20 5 HIBDRN COc1cc(CCNC(=O)Nc2ccc(OC(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000465595590 879082374 /nfs/dbraw/zinc/08/23/74/879082374.db2.gz IORNLBKMHRUQFK-UHFFFAOYSA-N 0 0 417.462 4.154 20 5 HIBDRN CC[C@@H](NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000465707468 879274660 /nfs/dbraw/zinc/27/46/60/879274660.db2.gz IKGSWAJIUVTFSB-SNVBAGLBSA-N 0 0 418.397 4.029 20 5 HIBDRN C[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000465724352 879302441 /nfs/dbraw/zinc/30/24/41/879302441.db2.gz NMQPOKLHKGXTFD-HNNXBMFYSA-N 0 0 401.438 4.090 20 5 HIBDRN CC(C)(CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1F ZINC000465820647 879448291 /nfs/dbraw/zinc/44/82/91/879448291.db2.gz YGAJGAYQYYIFKR-UHFFFAOYSA-N 0 0 415.465 4.265 20 5 HIBDRN CN(C1c2ccccc2-c2ccccc21)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503461467 912493998 /nfs/dbraw/zinc/49/39/98/912493998.db2.gz GTUNCOADRZHENP-UHFFFAOYSA-N 0 0 408.479 4.169 20 5 HIBDRN Cc1csc([C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C2CC2)n1 ZINC000466090692 879809085 /nfs/dbraw/zinc/80/90/85/879809085.db2.gz KKUJEVVICXQKKA-SFHVURJKSA-N 0 0 416.503 4.064 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000466151260 879856977 /nfs/dbraw/zinc/85/69/77/879856977.db2.gz AKARAYLYFBUYRW-CALCHBBNSA-N 0 0 424.501 4.077 20 5 HIBDRN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000466151262 879857477 /nfs/dbraw/zinc/85/74/77/879857477.db2.gz AKARAYLYFBUYRW-IRXDYDNUSA-N 0 0 424.501 4.077 20 5 HIBDRN Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000466154451 879859618 /nfs/dbraw/zinc/85/96/18/879859618.db2.gz PXPYMONNHSBFOB-SFHVURJKSA-N 0 0 411.502 4.396 20 5 HIBDRN Cc1c(CC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000466232296 879935674 /nfs/dbraw/zinc/93/56/74/879935674.db2.gz BMIFJKRANBZSBF-SFHVURJKSA-N 0 0 421.522 4.491 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000466263761 879994083 /nfs/dbraw/zinc/99/40/83/879994083.db2.gz VUEWVJRRNMUQPH-KRWDZBQOSA-N 0 0 407.495 4.183 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000466289053 880033495 /nfs/dbraw/zinc/03/34/95/880033495.db2.gz PVRZBACXEGGIOM-INIZCTEOSA-N 0 0 407.239 4.403 20 5 HIBDRN CCOc1c(Cl)cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl ZINC000466299076 880045874 /nfs/dbraw/zinc/04/58/74/880045874.db2.gz QJQKQFHTGIAEIA-UHFFFAOYSA-N 0 0 413.213 4.324 20 5 HIBDRN O=C(Cc1csc(Cc2ccccc2)n1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466300259 880048168 /nfs/dbraw/zinc/04/81/68/880048168.db2.gz TVFMHJUEUUIBHH-UHFFFAOYSA-N 0 0 401.875 4.154 20 5 HIBDRN O=C(Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000466309681 880062150 /nfs/dbraw/zinc/06/21/50/880062150.db2.gz VINQWFRFOQHDGJ-UHFFFAOYSA-N 0 0 419.412 4.118 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)cc1SC ZINC000466310313 880064273 /nfs/dbraw/zinc/06/42/73/880064273.db2.gz CBMMCEOFRGZMKO-QGZVFWFLSA-N 0 0 422.890 4.192 20 5 HIBDRN Cn1cccc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)c1=O ZINC000466420748 880193366 /nfs/dbraw/zinc/19/33/66/880193366.db2.gz FZIPSGXJKSFIHC-UHFFFAOYSA-N 0 0 415.858 4.350 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(COc2ccccc2F)on1 ZINC000466422224 880194726 /nfs/dbraw/zinc/19/47/26/880194726.db2.gz RITSYTDPLQZYRO-UHFFFAOYSA-N 0 0 413.405 4.054 20 5 HIBDRN CN(Cc1cc[nH]n1)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466438909 880214726 /nfs/dbraw/zinc/21/47/26/880214726.db2.gz RDSBEBMZFYTLRP-UHFFFAOYSA-N 0 0 402.863 4.395 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000466443571 880219153 /nfs/dbraw/zinc/21/91/53/880219153.db2.gz IWHWGBSCPGGABN-VIFPVBQESA-N 0 0 405.773 4.320 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(F)c(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000466451287 880230328 /nfs/dbraw/zinc/23/03/28/880230328.db2.gz HMHHPTVMABAQGU-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)c(Br)cc2Cl)ccc1[N+](=O)[O-] ZINC000466463689 880244839 /nfs/dbraw/zinc/24/48/39/880244839.db2.gz INJNSYZZZAZPTM-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN COc1c(C(=O)Nc2cc(F)c(Br)cc2Cl)cccc1[N+](=O)[O-] ZINC000466468332 880250371 /nfs/dbraw/zinc/25/03/71/880250371.db2.gz DZJVDMQCTOUMPH-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000466497634 880273914 /nfs/dbraw/zinc/27/39/14/880273914.db2.gz SFYZFXQDUIWNCO-UHFFFAOYSA-N 0 0 417.425 4.039 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)NCCc2cn3c(n2)SCC3)cc1[N+](=O)[O-] ZINC000466511373 880286478 /nfs/dbraw/zinc/28/64/78/880286478.db2.gz BGBRYJUMMFKBML-UHFFFAOYSA-N 0 0 420.560 4.008 20 5 HIBDRN O=[N+]([O-])c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000466516489 880290691 /nfs/dbraw/zinc/29/06/91/880290691.db2.gz RTCDEIXPGFJZQC-UHFFFAOYSA-N 0 0 409.678 4.175 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCc3sccc32)c(C(F)(F)F)c1 ZINC000466517444 880292100 /nfs/dbraw/zinc/29/21/00/880292100.db2.gz IWNPKQCAGWNHGO-LBPRGKRZSA-N 0 0 406.407 4.031 20 5 HIBDRN O=C(c1cc(Br)cc2nc[nH]c21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000503505977 912552274 /nfs/dbraw/zinc/55/22/74/912552274.db2.gz AJBPRCKDAVEVKV-UHFFFAOYSA-N 0 0 415.247 4.038 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000466556714 880331250 /nfs/dbraw/zinc/33/12/50/880331250.db2.gz SUUVKDBASMTSCK-UHFFFAOYSA-N 0 0 406.841 4.287 20 5 HIBDRN Cc1ccccc1C1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000466568040 880343234 /nfs/dbraw/zinc/34/32/34/880343234.db2.gz VIYWBAQHYSRQRW-UHFFFAOYSA-N 0 0 417.893 4.104 20 5 HIBDRN O=C(Nc1cc(Cl)c(Cl)cc1F)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000466583671 880357146 /nfs/dbraw/zinc/35/71/46/880357146.db2.gz FRMZTCTUOOECNG-UHFFFAOYSA-N 0 0 414.220 4.130 20 5 HIBDRN COc1cc(C(=O)NCC2(Cc3ccccc3)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000466624288 880396049 /nfs/dbraw/zinc/39/60/49/880396049.db2.gz DKNBDEPUNVRGGZ-UHFFFAOYSA-N 0 0 420.412 4.348 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000466795765 880574178 /nfs/dbraw/zinc/57/41/78/880574178.db2.gz QIIJLEGSLMOHIM-UHFFFAOYSA-N 0 0 402.863 4.473 20 5 HIBDRN CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1nc(C(F)(F)F)cs1 ZINC000466860055 880629791 /nfs/dbraw/zinc/62/97/91/880629791.db2.gz VVLDQTVZZRQIBQ-NSHDSACASA-N 0 0 423.438 4.117 20 5 HIBDRN COc1ccc(N(C)C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000466891940 880659264 /nfs/dbraw/zinc/65/92/64/880659264.db2.gz VLELTWPSDWOMAI-UHFFFAOYSA-N 0 0 416.764 4.143 20 5 HIBDRN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000466974338 880775775 /nfs/dbraw/zinc/77/57/75/880775775.db2.gz KAXGGZWDYKYEPE-UHFFFAOYSA-N 0 0 424.525 4.430 20 5 HIBDRN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466990816 880803758 /nfs/dbraw/zinc/80/37/58/880803758.db2.gz AFYXZCQUGISCCK-QGZVFWFLSA-N 0 0 409.820 4.093 20 5 HIBDRN COC(=O)[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000467001683 880810563 /nfs/dbraw/zinc/81/05/63/880810563.db2.gz KAWZNVPOVGXWIX-OAHLLOKOSA-N 0 0 413.655 4.015 20 5 HIBDRN CC(=O)Nc1ccc(C)c(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000467070549 880850202 /nfs/dbraw/zinc/85/02/02/880850202.db2.gz FIJLOYCUKFKWKU-UHFFFAOYSA-N 0 0 421.403 4.479 20 5 HIBDRN O=C(C[C@H]1CCCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000467072216 880851291 /nfs/dbraw/zinc/85/12/91/880851291.db2.gz ATIKLMTWDHPFJV-MRXNPFEDSA-N 0 0 422.528 4.004 20 5 HIBDRN COc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000467125320 880879182 /nfs/dbraw/zinc/87/91/82/880879182.db2.gz MABJKZQXXLESGW-BETUJISGSA-N 0 0 405.476 4.042 20 5 HIBDRN CCNc1ccc(C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000467129992 880880715 /nfs/dbraw/zinc/88/07/15/880880715.db2.gz ZMXSYAVCAZMEFI-JTQLQIEISA-N 0 0 402.398 4.383 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000467174799 880902863 /nfs/dbraw/zinc/90/28/63/880902863.db2.gz WRHVYNDGOSWXAG-JTQLQIEISA-N 0 0 411.409 4.339 20 5 HIBDRN O=C(CN1CCC[C@@H]1c1cc(F)cc(Br)c1)Nc1ccccc1[N+](=O)[O-] ZINC000467182128 880909008 /nfs/dbraw/zinc/90/90/08/880909008.db2.gz QARKSATXPJKMDQ-MRXNPFEDSA-N 0 0 422.254 4.272 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(OCc2ccccc2)CC1 ZINC000467217586 880947040 /nfs/dbraw/zinc/94/70/40/880947040.db2.gz LVNSCZZRRXVPGE-UHFFFAOYSA-N 0 0 403.866 4.139 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000467221485 880951419 /nfs/dbraw/zinc/95/14/19/880951419.db2.gz AEMNRNSZYLGLDN-UHFFFAOYSA-N 0 0 413.865 4.050 20 5 HIBDRN O=[N+]([O-])c1cc2c(cc1Cc1nc(-c3c(Cl)cccc3Cl)no1)OCCO2 ZINC000467252626 880982537 /nfs/dbraw/zinc/98/25/37/880982537.db2.gz BOXYPNQFWXFRNX-UHFFFAOYSA-N 0 0 408.197 4.314 20 5 HIBDRN COc1cccc(C2(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)c1 ZINC000503558113 912630545 /nfs/dbraw/zinc/63/05/45/912630545.db2.gz NWUDHUDFKMCIDX-UHFFFAOYSA-N 0 0 409.364 4.111 20 5 HIBDRN Cc1sc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000467412787 881198986 /nfs/dbraw/zinc/19/89/86/881198986.db2.gz ULENMGPYWRJVMU-JTQLQIEISA-N 0 0 409.514 4.128 20 5 HIBDRN CN(Cc1cc(Br)cn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000467427846 881218878 /nfs/dbraw/zinc/21/88/78/881218878.db2.gz FDYZVQALWRGBTL-UHFFFAOYSA-N 0 0 401.648 4.013 20 5 HIBDRN CSc1cnn(-c2ccccc2)c1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467456345 881261020 /nfs/dbraw/zinc/26/10/20/881261020.db2.gz NTDLNHAEMCKTOD-UHFFFAOYSA-N 0 0 417.878 4.478 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)nn1-c1c(F)cccc1F ZINC000469054171 883127068 /nfs/dbraw/zinc/12/70/68/883127068.db2.gz UQMBQGJTNZPESZ-UHFFFAOYSA-N 0 0 409.352 4.168 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1c[nH]nc1-c1ccccc1 ZINC000503586910 912671116 /nfs/dbraw/zinc/67/11/16/912671116.db2.gz YCEHEDUBVJLPQP-UHFFFAOYSA-N 0 0 419.363 4.444 20 5 HIBDRN COc1cc(S(=O)(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000469094087 883183527 /nfs/dbraw/zinc/18/35/27/883183527.db2.gz YILWIVOFNCYSJY-SFHVURJKSA-N 0 0 415.471 4.001 20 5 HIBDRN CC1(C)[C@H](C(F)(F)F)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000469114090 883206714 /nfs/dbraw/zinc/20/67/14/883206714.db2.gz CNQPUDVOBOATSM-SNVBAGLBSA-N 0 0 421.224 4.253 20 5 HIBDRN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 ZINC000469131702 883226871 /nfs/dbraw/zinc/22/68/71/883226871.db2.gz JRMLIQVTDXTFCU-UHFFFAOYSA-N 0 0 413.817 4.149 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000469132251 883228740 /nfs/dbraw/zinc/22/87/40/883228740.db2.gz YKZKWDHZLQCADC-UHFFFAOYSA-N 0 0 422.381 4.054 20 5 HIBDRN Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1Br ZINC000469205797 883305900 /nfs/dbraw/zinc/30/59/00/883305900.db2.gz RETNCHAKIDDGOQ-UHFFFAOYSA-N 0 0 422.260 4.015 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469368668 883492604 /nfs/dbraw/zinc/49/26/04/883492604.db2.gz BTGFWBGBYOKTBR-JTQLQIEISA-N 0 0 411.202 4.265 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469460396 883672353 /nfs/dbraw/zinc/67/23/53/883672353.db2.gz GOBHPOUDQSIWDA-UHFFFAOYSA-N 0 0 403.429 4.075 20 5 HIBDRN CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000469529243 883801449 /nfs/dbraw/zinc/80/14/49/883801449.db2.gz OBFNXSAXRCGULN-LJQANCHMSA-N 0 0 404.488 4.050 20 5 HIBDRN CSc1nc(C2CC2)nc(C)c1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000469670868 883861436 /nfs/dbraw/zinc/86/14/36/883861436.db2.gz GBFRDKCCYIHGMU-UHFFFAOYSA-N 0 0 400.504 4.045 20 5 HIBDRN Cc1ccc(F)c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1Br ZINC000469762631 883930433 /nfs/dbraw/zinc/93/04/33/883930433.db2.gz DRNCQIDBMPTBTO-UHFFFAOYSA-N 0 0 415.646 4.431 20 5 HIBDRN CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000469806779 883981583 /nfs/dbraw/zinc/98/15/83/883981583.db2.gz ACFAVXSIDQLDCB-UHFFFAOYSA-N 0 0 407.392 4.162 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000469878426 884068235 /nfs/dbraw/zinc/06/82/35/884068235.db2.gz BPBSVBZIYOUIRX-SNVBAGLBSA-N 0 0 404.398 4.442 20 5 HIBDRN C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000469954743 884157685 /nfs/dbraw/zinc/15/76/85/884157685.db2.gz YHERJAIFEGUUAA-CABCVRRESA-N 0 0 422.441 4.147 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2ncccc2Cl)CC1 ZINC000469975715 884188458 /nfs/dbraw/zinc/18/84/58/884188458.db2.gz KNXLCRRDYODWOQ-UHFFFAOYSA-N 0 0 424.682 4.426 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1c1ccccc1 ZINC000469997555 884214388 /nfs/dbraw/zinc/21/43/88/884214388.db2.gz ALOGQWUKZPVIKN-DYESRHJHSA-N 0 0 404.470 4.436 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1c1ccccc1 ZINC000469997557 884215583 /nfs/dbraw/zinc/21/55/83/884215583.db2.gz ALOGQWUKZPVIKN-UTKZUKDTSA-N 0 0 404.470 4.436 20 5 HIBDRN CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000470009195 884226632 /nfs/dbraw/zinc/22/66/32/884226632.db2.gz NJBYUBWWBJXOLC-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1c1ccccc1 ZINC000470013501 884230448 /nfs/dbraw/zinc/23/04/48/884230448.db2.gz OSWCORIZSJSVCE-LAUBAEHRSA-N 0 0 404.470 4.436 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000470052384 884300374 /nfs/dbraw/zinc/30/03/74/884300374.db2.gz ZVZCVPPXNMGRLF-VXKWHMMOSA-N 0 0 411.502 4.445 20 5 HIBDRN C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000470093461 884350395 /nfs/dbraw/zinc/35/03/95/884350395.db2.gz KTBYCCZQXCJQED-AWEZNQCLSA-N 0 0 414.849 4.080 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000470144472 884410436 /nfs/dbraw/zinc/41/04/36/884410436.db2.gz VTRYXNBCJCSMJU-KGLIPLIRSA-N 0 0 414.849 4.079 20 5 HIBDRN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000470154209 884426322 /nfs/dbraw/zinc/42/63/22/884426322.db2.gz ZNGWBGUQRLUGEI-SIFCLUCFSA-N 0 0 415.877 4.126 20 5 HIBDRN CC1(C)CCC[C@]1(O)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000503801279 912827336 /nfs/dbraw/zinc/82/73/36/912827336.db2.gz SNBRLBAAEAAVHZ-NRFANRHFSA-N 0 0 400.500 4.417 20 5 HIBDRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470181169 884468536 /nfs/dbraw/zinc/46/85/36/884468536.db2.gz ZEOXCDXESIPSID-ZIBIDDQLSA-N 0 0 409.486 4.418 20 5 HIBDRN Cc1ccccc1-c1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n(C)n1 ZINC000470192257 884494012 /nfs/dbraw/zinc/49/40/12/884494012.db2.gz FTAHNHPQSNYRLE-UHFFFAOYSA-N 0 0 414.849 4.365 20 5 HIBDRN CC[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[C@H]1c1ccccc1 ZINC000470192004 884494603 /nfs/dbraw/zinc/49/46/03/884494603.db2.gz ZIUMBXKYHGKXFZ-HTAPYJJXSA-N 0 0 404.470 4.436 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000470274651 884633804 /nfs/dbraw/zinc/63/38/04/884633804.db2.gz LDSLLNXTVXPQCS-KNQAVFIVSA-N 0 0 409.486 4.154 20 5 HIBDRN O=C(c1ccc(Sc2ccccn2)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470301422 884677336 /nfs/dbraw/zinc/67/73/36/884677336.db2.gz DZWCMCLSKKXXGA-UHFFFAOYSA-N 0 0 407.451 4.044 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000470347257 884738275 /nfs/dbraw/zinc/73/82/75/884738275.db2.gz OMOJLPCDPRBKLZ-MRXNPFEDSA-N 0 0 418.443 4.449 20 5 HIBDRN O=C(Nc1ccccc1COc1ccccc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470358752 884752523 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404.442 4.208 20 5 HIBDRN CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)Cn3cc([N+](=O)[O-])cn3)c2)cc1 ZINC000470663000 885088011 /nfs/dbraw/zinc/08/80/11/885088011.db2.gz UXZFBCGGSOALMK-KRWDZBQOSA-N 0 0 422.485 4.465 20 5 HIBDRN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000470663203 885088315 /nfs/dbraw/zinc/08/83/15/885088315.db2.gz OCHHPTHWTIUACY-QUCCMNQESA-N 0 0 405.458 4.449 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000470675315 885106236 /nfs/dbraw/zinc/10/62/36/885106236.db2.gz QMGWXFYFZJLMRU-SFHVURJKSA-N 0 0 413.449 4.130 20 5 HIBDRN CCn1c(SCC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)nnc1-c1ccccc1C ZINC000470695447 885132891 /nfs/dbraw/zinc/13/28/91/885132891.db2.gz BRFFGLGJGCTALU-UHFFFAOYSA-N 0 0 415.450 4.052 20 5 HIBDRN COc1ccc(-c2ncc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)s2)cc1OC ZINC000470703075 885142097 /nfs/dbraw/zinc/14/20/97/885142097.db2.gz AKWLXMYYXWQWOP-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN COc1cc(CCC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)ccc1OCC(F)(F)F ZINC000470702736 885142125 /nfs/dbraw/zinc/14/21/25/885142125.db2.gz FIOXEGHOLUHNRT-UHFFFAOYSA-N 0 0 416.327 4.255 20 5 HIBDRN Cc1nc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)nn1-c1c(Cl)cccc1Cl ZINC000470705074 885143522 /nfs/dbraw/zinc/14/35/22/885143522.db2.gz MAWOBZSXPPGDQV-UHFFFAOYSA-N 0 0 410.192 4.182 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000470706019 885143794 /nfs/dbraw/zinc/14/37/94/885143794.db2.gz QTQAXKHNXDJDEJ-NSHDSACASA-N 0 0 412.343 4.003 20 5 HIBDRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000470725140 885173473 /nfs/dbraw/zinc/17/34/73/885173473.db2.gz AYBPRYBEXONSCP-UHFFFAOYSA-N 0 0 407.348 4.246 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000470733298 885187425 /nfs/dbraw/zinc/18/74/25/885187425.db2.gz QXJMXQWIHDDHFA-JTQLQIEISA-N 0 0 415.277 4.288 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1cccs1)CC(F)(F)F ZINC000470788074 885264216 /nfs/dbraw/zinc/26/42/16/885264216.db2.gz UWZANZMZAKYMNJ-UHFFFAOYSA-N 0 0 410.377 4.047 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccccc3C)nn2C)cc1SC ZINC000470787358 885265343 /nfs/dbraw/zinc/26/53/43/885265343.db2.gz WHIDINZEJWZRFG-UHFFFAOYSA-N 0 0 412.471 4.287 20 5 HIBDRN Cc1cc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(OC2CCC2)n1 ZINC000470807651 885296623 /nfs/dbraw/zinc/29/66/23/885296623.db2.gz GJEMQSMSSVMZCI-UHFFFAOYSA-N 0 0 407.373 4.392 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000470835713 885326693 /nfs/dbraw/zinc/32/66/93/885326693.db2.gz KYSOKDLOWXFLKA-LBPRGKRZSA-N 0 0 407.264 4.094 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000470845421 885339992 /nfs/dbraw/zinc/33/99/92/885339992.db2.gz TVRFTXIIHZVKQB-GOSISDBHSA-N 0 0 419.275 4.098 20 5 HIBDRN CC[C@H](Nc1nc(N[C@@H](CC)C2CCOCC2)c([N+](=O)[O-])s1)C1CCOCC1 ZINC000470869246 885358265 /nfs/dbraw/zinc/35/82/65/885358265.db2.gz ZKUCIQRBSNXRNG-HOTGVXAUSA-N 0 0 412.556 4.286 20 5 HIBDRN CCC1(CC)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000504037984 912945020 /nfs/dbraw/zinc/94/50/20/912945020.db2.gz WGKRCQUYSWJZPF-UHFFFAOYSA-N 0 0 413.440 4.479 20 5 HIBDRN Cc1nc(N2CCC[C@H]2c2ccccc2I)ccc1[N+](=O)[O-] ZINC000471051677 885566162 /nfs/dbraw/zinc/56/61/62/885566162.db2.gz BIIAVDXNLBKVFE-HNNXBMFYSA-N 0 0 409.227 4.244 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000471057736 885573107 /nfs/dbraw/zinc/57/31/07/885573107.db2.gz RPZLVOGBVXLYFZ-UHFFFAOYSA-N 0 0 408.458 4.233 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cc(I)ccc1Cl ZINC000471060725 885575070 /nfs/dbraw/zinc/57/50/70/885575070.db2.gz YCOYBDCOTNXDAO-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)c(F)cc1I ZINC000471083038 885609033 /nfs/dbraw/zinc/60/90/33/885609033.db2.gz MNJZSUIYNCNNCV-UHFFFAOYSA-N 0 0 418.137 4.038 20 5 HIBDRN O=C(c1cccc(-n2ccc(C(F)(F)F)n2)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000471146398 885691030 /nfs/dbraw/zinc/69/10/30/885691030.db2.gz ZXYZNBLBMPGBQH-UHFFFAOYSA-N 0 0 402.332 4.002 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000471152434 885700616 /nfs/dbraw/zinc/70/06/16/885700616.db2.gz SKQJANATHRDEQQ-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN COc1ccc(NC(=O)CN2CC=C(c3c(C)[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000471158417 885711210 /nfs/dbraw/zinc/71/12/10/885711210.db2.gz YRZKFDUMALGLGS-UHFFFAOYSA-N 0 0 420.469 4.121 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000471162132 885717913 /nfs/dbraw/zinc/71/79/13/885717913.db2.gz NYYKIJROUAHCRD-NSHDSACASA-N 0 0 423.263 4.256 20 5 HIBDRN CCCOc1cc(NC(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCCC ZINC000471170600 885728299 /nfs/dbraw/zinc/72/82/99/885728299.db2.gz VWTAJTWBLRGGGU-VBKZILBWSA-N 0 0 421.494 4.204 20 5 HIBDRN CCOc1cc(NC(=O)NCC2(C)CCC(OC)CC2)c([N+](=O)[O-])cc1OCC ZINC000471172299 885730465 /nfs/dbraw/zinc/73/04/65/885730465.db2.gz FOLYVAPOPQRIJF-UHFFFAOYSA-N 0 0 409.483 4.109 20 5 HIBDRN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H](C)c1cccc(O)c1 ZINC000471181276 885746136 /nfs/dbraw/zinc/74/61/36/885746136.db2.gz DZDBGFBRQRZOGL-GFCCVEGCSA-N 0 0 422.279 4.085 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)NC)ccc1Cl ZINC000504071285 912973365 /nfs/dbraw/zinc/97/33/65/912973365.db2.gz MIQPREUMVQVARM-UHFFFAOYSA-N 0 0 407.879 4.362 20 5 HIBDRN COC1CCC(C)(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000471259900 885838417 /nfs/dbraw/zinc/83/84/17/885838417.db2.gz OQBQMOFWSAIFOM-UHFFFAOYSA-N 0 0 412.486 4.499 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)COc2c(Cl)cccc2[N+](=O)[O-])cc1OC ZINC000471286336 885869458 /nfs/dbraw/zinc/86/94/58/885869458.db2.gz IMLGTGCENSYVQL-OAHLLOKOSA-N 0 0 420.849 4.008 20 5 HIBDRN C[C@@H](NC(=O)COc1c(Cl)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000471291145 885875187 /nfs/dbraw/zinc/87/51/87/885875187.db2.gz FZTYWZSQNIOEKF-SNVBAGLBSA-N 0 0 413.655 4.267 20 5 HIBDRN CCc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)c(OC)c2)cc1[N+](=O)[O-] ZINC000471355285 885974206 /nfs/dbraw/zinc/97/42/06/885974206.db2.gz OKXHDEKVSSPPSL-UHFFFAOYSA-N 0 0 412.364 4.037 20 5 HIBDRN CCc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1[N+](=O)[O-] ZINC000471356315 885976524 /nfs/dbraw/zinc/97/65/24/885976524.db2.gz GBPGVWCLXGDBFR-UHFFFAOYSA-N 0 0 405.458 4.394 20 5 HIBDRN CCc1ccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000471361460 885989586 /nfs/dbraw/zinc/98/95/86/885989586.db2.gz DYRWVRXMBWJAGI-UHFFFAOYSA-N 0 0 410.257 4.175 20 5 HIBDRN COc1c(F)cc(F)cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000471370773 886008233 /nfs/dbraw/zinc/00/82/33/886008233.db2.gz XQZGSUXTHAKECX-MRVPVSSYSA-N 0 0 419.306 4.340 20 5 HIBDRN Cc1c(CNC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)cccc1[N+](=O)[O-] ZINC000471371299 886009422 /nfs/dbraw/zinc/00/94/22/886009422.db2.gz UQWWRRSLLITTGE-UHFFFAOYSA-N 0 0 413.474 4.499 20 5 HIBDRN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cccc1NC(=O)N(C)C ZINC000471373725 886013243 /nfs/dbraw/zinc/01/32/43/886013243.db2.gz RLOLBKKGAXQGPL-UHFFFAOYSA-N 0 0 421.251 4.012 20 5 HIBDRN Cc1nnc(-c2cc(F)ccc2NC(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000471381115 886028110 /nfs/dbraw/zinc/02/81/10/886028110.db2.gz ALHJRJMJDICLAD-UHFFFAOYSA-N 0 0 421.182 4.107 20 5 HIBDRN Cc1ccn(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000471385334 886032169 /nfs/dbraw/zinc/03/21/69/886032169.db2.gz RURAHCRUURMWQQ-UHFFFAOYSA-N 0 0 408.845 4.165 20 5 HIBDRN Cc1nnc(-c2cc(F)ccc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000471392109 886040334 /nfs/dbraw/zinc/04/03/34/886040334.db2.gz MTGLOODCCQNTNC-VIFPVBQESA-N 0 0 420.784 4.152 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000504092423 913001999 /nfs/dbraw/zinc/00/19/99/913001999.db2.gz NKSBPXHPKKKSRF-UHFFFAOYSA-N 0 0 424.482 4.408 20 5 HIBDRN COc1ncc(C)cc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000471429238 886086439 /nfs/dbraw/zinc/08/64/39/886086439.db2.gz WEURBLLINPUBPS-CQSZACIVSA-N 0 0 407.430 4.127 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000471475947 886169073 /nfs/dbraw/zinc/16/90/73/886169073.db2.gz LLPWUKIBYJJEOR-ZFWWWQNUSA-N 0 0 420.412 4.298 20 5 HIBDRN COC[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000471486531 886183114 /nfs/dbraw/zinc/18/31/14/886183114.db2.gz AUBWDQILFWFENJ-DNVCBOLYSA-N 0 0 424.457 4.182 20 5 HIBDRN CO[C@@H](C)c1nc(CN2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cs1 ZINC000471520175 886222911 /nfs/dbraw/zinc/22/29/11/886222911.db2.gz OTRPNDJSAWFDRT-ZDUSSCGKSA-N 0 0 410.927 4.124 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)OC(C)C ZINC000471551111 886260036 /nfs/dbraw/zinc/26/00/36/886260036.db2.gz LHGAWXAWPZHIPJ-OAQYLSRUSA-N 0 0 413.474 4.074 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000471560223 886269196 /nfs/dbraw/zinc/26/91/96/886269196.db2.gz OTKHNKFALVIBGI-UHFFFAOYSA-N 0 0 410.405 4.149 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCCOc2cccc(C(C)(C)C)c2)cc1OC ZINC000504124187 913028784 /nfs/dbraw/zinc/02/87/84/913028784.db2.gz YRTPOKGEGVMZCR-UHFFFAOYSA-N 0 0 416.474 4.108 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CC[C@@H](COc4ccccc4)C3)cc2[N+](=O)[O-])CC1 ZINC000504128936 913034252 /nfs/dbraw/zinc/03/42/52/913034252.db2.gz RHTYVACVNNZREB-LJQANCHMSA-N 0 0 423.513 4.372 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000471660482 886373628 /nfs/dbraw/zinc/37/36/28/886373628.db2.gz XSPAESSEELHYRQ-UHFFFAOYSA-N 0 0 408.414 4.482 20 5 HIBDRN C[C@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(C)(C)C1 ZINC000471712350 886421397 /nfs/dbraw/zinc/42/13/97/886421397.db2.gz CPATYZBDYIBLII-CYBMUJFWSA-N 0 0 413.440 4.477 20 5 HIBDRN COc1ccc(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c(Cl)c1 ZINC000471739172 886462095 /nfs/dbraw/zinc/46/20/95/886462095.db2.gz UHAJPCMOZSPWSY-UHFFFAOYSA-N 0 0 403.866 4.147 20 5 HIBDRN O=C(c1cccc(-n2ccc(C(F)(F)F)n2)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000471784017 886518303 /nfs/dbraw/zinc/51/83/03/886518303.db2.gz ZIXIKAGXWPRHRY-UHFFFAOYSA-N 0 0 416.359 4.392 20 5 HIBDRN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])c3ncccc23)c(C)n1-c1nccs1 ZINC000471869258 886646481 /nfs/dbraw/zinc/64/64/81/886646481.db2.gz GMAVVDHFZASVOZ-UHFFFAOYSA-N 0 0 408.439 4.269 20 5 HIBDRN Cc1ccc(S(=O)(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000471876122 886655366 /nfs/dbraw/zinc/65/53/66/886655366.db2.gz KKWBPDZREQHQST-LJQANCHMSA-N 0 0 417.874 4.020 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000471882237 886662423 /nfs/dbraw/zinc/66/24/23/886662423.db2.gz GVKKBYXDDSUGES-IBGZPJMESA-N 0 0 417.874 4.020 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]3[C@H]3CCCCC3=O)cc2[N+](=O)[O-])C1 ZINC000471905429 886688030 /nfs/dbraw/zinc/68/80/30/886688030.db2.gz LWXDGNNMFPWYGT-QRQLOZEOSA-N 0 0 413.518 4.195 20 5 HIBDRN CCN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471928948 886719526 /nfs/dbraw/zinc/71/95/26/886719526.db2.gz TWTUPJBOLXZHMT-HKUYNNGSSA-N 0 0 422.407 4.278 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](OCc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000471976487 886806529 /nfs/dbraw/zinc/80/65/29/886806529.db2.gz FTTWONIWBNEAHL-APWZRJJASA-N 0 0 415.465 4.494 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000471990250 886816619 /nfs/dbraw/zinc/81/66/19/886816619.db2.gz WXOFLTCWGASRLH-QFBILLFUSA-N 0 0 402.882 4.432 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CNc3c(F)cc(F)cc3Br)n2)cc1 ZINC000471992152 886818599 /nfs/dbraw/zinc/81/85/99/886818599.db2.gz MUTGGNVHQHSKID-UHFFFAOYSA-N 0 0 411.162 4.298 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)cc2[N+](=O)[O-])CC1 ZINC000472016851 886838831 /nfs/dbraw/zinc/83/88/31/886838831.db2.gz IERRDQQNHILDIT-DEOSSOPVSA-N 0 0 421.497 4.103 20 5 HIBDRN CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000472074856 886878630 /nfs/dbraw/zinc/87/86/30/886878630.db2.gz POGFNEGIJCFHCZ-GOSISDBHSA-N 0 0 407.902 4.264 20 5 HIBDRN CSCc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1F ZINC000472083044 886883355 /nfs/dbraw/zinc/88/33/55/886883355.db2.gz KFRZDSJVFPNERY-UHFFFAOYSA-N 0 0 404.463 4.281 20 5 HIBDRN CCOC(=O)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(C)c1C ZINC000472106486 886895915 /nfs/dbraw/zinc/89/59/15/886895915.db2.gz RKYIVLMEMIXGNH-QGZVFWFLSA-N 0 0 424.375 4.265 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCSC[C@H]1c1nccs1 ZINC000472116553 886902633 /nfs/dbraw/zinc/90/26/33/886902633.db2.gz YZBVHIPVMIEIFU-AWEZNQCLSA-N 0 0 418.525 4.105 20 5 HIBDRN C[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000472158865 886957686 /nfs/dbraw/zinc/95/76/86/886957686.db2.gz QUCNKEOGPGPXPH-YPMHNXCESA-N 0 0 409.273 4.113 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000472228935 887035540 /nfs/dbraw/zinc/03/55/40/887035540.db2.gz IXBMFAMLXLDATE-MRXNPFEDSA-N 0 0 410.499 4.194 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000472286624 887106369 /nfs/dbraw/zinc/10/63/69/887106369.db2.gz VFJLXBVGNDMKHE-QGZVFWFLSA-N 0 0 410.417 4.473 20 5 HIBDRN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc2[nH]ccc2c1 ZINC000472294053 887114333 /nfs/dbraw/zinc/11/43/33/887114333.db2.gz HALKTFCRRPXBHQ-UHFFFAOYSA-N 0 0 402.248 4.434 20 5 HIBDRN COCCOc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Cl)c1 ZINC000472370886 887210211 /nfs/dbraw/zinc/21/02/11/887210211.db2.gz XSUONBIPLGJNOT-UHFFFAOYSA-N 0 0 404.850 4.078 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NCc2ncc(C(C)(C)C)o2)cc1[N+](=O)[O-])c1ccccn1 ZINC000472397081 887244211 /nfs/dbraw/zinc/24/42/11/887244211.db2.gz MIQNSARLBAPAQI-AWEZNQCLSA-N 0 0 423.473 4.378 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(CC)cc3)no2)cc1[N+](=O)[O-] ZINC000472405362 887254375 /nfs/dbraw/zinc/25/43/75/887254375.db2.gz HPBDHPDVSVSNDJ-ZDUSSCGKSA-N 0 0 410.430 4.097 20 5 HIBDRN COc1ccccc1[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])OC(C)C ZINC000472474241 887335296 /nfs/dbraw/zinc/33/52/96/887335296.db2.gz BQQLXKZKVZJKDS-OAQYLSRUSA-N 0 0 413.474 4.074 20 5 HIBDRN COc1c(F)cc(F)cc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000472504486 887371779 /nfs/dbraw/zinc/37/17/79/887371779.db2.gz SFBBLEABYYYZDX-LBPRGKRZSA-N 0 0 405.401 4.370 20 5 HIBDRN CCOc1cc(NC(=O)c2ncoc2-c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC ZINC000472526819 887398606 /nfs/dbraw/zinc/39/86/06/887398606.db2.gz ZNUCQNPXMRCUBP-UHFFFAOYSA-N 0 0 415.377 4.439 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000504292800 913146222 /nfs/dbraw/zinc/14/62/22/913146222.db2.gz DUURFHAIJLNNFA-ZTFRIQLXSA-N 0 0 401.260 4.439 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000472558202 887443596 /nfs/dbraw/zinc/44/35/96/887443596.db2.gz FKPOEIGFWYPTBN-CQSZACIVSA-N 0 0 407.401 4.217 20 5 HIBDRN CCCCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472560972 887446803 /nfs/dbraw/zinc/44/68/03/887446803.db2.gz DMISJTIWUVFVDR-UHFFFAOYSA-N 0 0 405.401 4.031 20 5 HIBDRN C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1noc(-c2ccccc2)n1 ZINC000472672240 887526133 /nfs/dbraw/zinc/52/61/33/887526133.db2.gz XCAXFDQJDAUMON-GFCCVEGCSA-N 0 0 421.438 4.259 20 5 HIBDRN Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472685550 887539783 /nfs/dbraw/zinc/53/97/83/887539783.db2.gz LQZGRRCPPWSNQS-UHFFFAOYSA-N 0 0 423.400 4.199 20 5 HIBDRN CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472695933 887548459 /nfs/dbraw/zinc/54/84/59/887548459.db2.gz XYFMRJJUXIJLTI-LJQANCHMSA-N 0 0 413.449 4.280 20 5 HIBDRN Cc1c(CNC(=O)C(=O)Nc2cc(-c3ccccc3)ccc2Cl)cccc1[N+](=O)[O-] ZINC000472695912 887548598 /nfs/dbraw/zinc/54/85/98/887548598.db2.gz XSXAYEBDKOPWPN-UHFFFAOYSA-N 0 0 423.856 4.479 20 5 HIBDRN CC(C)CC[C@H]1CCCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000472706432 887557922 /nfs/dbraw/zinc/55/79/22/887557922.db2.gz QODMORFKRWQTNS-MRXNPFEDSA-N 0 0 403.479 4.100 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000504311764 913160071 /nfs/dbraw/zinc/16/00/71/913160071.db2.gz SBAOMUDEVQOQJZ-OAHLLOKOSA-N 0 0 413.433 4.041 20 5 HIBDRN O=C(N[C@H]1CCOc2c(Br)cccc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000504310607 913160086 /nfs/dbraw/zinc/16/00/86/913160086.db2.gz WMKDFQHXUSQGSL-INIZCTEOSA-N 0 0 416.231 4.092 20 5 HIBDRN COc1ccc(F)c(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1OC ZINC000472809140 887652434 /nfs/dbraw/zinc/65/24/34/887652434.db2.gz GAOODUUITYIGNY-UHFFFAOYSA-N 0 0 417.418 4.435 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)cc([N+](=O)[O-])c1 ZINC000472835903 887686878 /nfs/dbraw/zinc/68/68/78/887686878.db2.gz PGCUEPJWWDYNNI-HNNXBMFYSA-N 0 0 422.441 4.138 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCOc2c(Cl)cccc21 ZINC000472957457 887806950 /nfs/dbraw/zinc/80/69/50/887806950.db2.gz GIWLYCUIMFNOGK-UHFFFAOYSA-N 0 0 404.853 4.234 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCOc2c(Cl)cccc21 ZINC000472966154 887813027 /nfs/dbraw/zinc/81/30/27/887813027.db2.gz IWJCNVDYCCBULE-UHFFFAOYSA-N 0 0 416.739 4.229 20 5 HIBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000473048654 887870814 /nfs/dbraw/zinc/87/08/14/887870814.db2.gz LUTZUOPTTYUQKO-ZDUSSCGKSA-N 0 0 401.513 4.390 20 5 HIBDRN CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000473206384 887982099 /nfs/dbraw/zinc/98/20/99/887982099.db2.gz JOLAIZKUUQHONS-IBGZPJMESA-N 0 0 413.474 4.144 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000473338783 888073024 /nfs/dbraw/zinc/07/30/24/888073024.db2.gz GUOBOEUCYAFOAO-UHFFFAOYSA-N 0 0 406.373 4.213 20 5 HIBDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000473395818 888108120 /nfs/dbraw/zinc/10/81/20/888108120.db2.gz OKHIPQTVNRHXCY-OTYXRUKQSA-N 0 0 410.342 4.372 20 5 HIBDRN Cc1cc(Br)ccc1NC(=O)CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473505180 888231322 /nfs/dbraw/zinc/23/13/22/888231322.db2.gz ABEZECTWMFCIIP-UHFFFAOYSA-N 0 0 415.247 4.265 20 5 HIBDRN COc1ccc(-c2nc(SCc3ccc([N+](=O)[O-])cc3)n[nH]2)cc1Br ZINC000473513370 888243561 /nfs/dbraw/zinc/24/35/61/888243561.db2.gz MSFJLRMSSZCKOU-UHFFFAOYSA-N 0 0 421.276 4.443 20 5 HIBDRN Cc1cc(N2CCCN(C(=O)CC3CCCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473514502 888244890 /nfs/dbraw/zinc/24/48/90/888244890.db2.gz SGBDUTSXRGILAK-UHFFFAOYSA-N 0 0 424.339 4.285 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@]4(CCCOC4)C3)cc2[N+](=O)[O-])C1 ZINC000473525904 888263820 /nfs/dbraw/zinc/26/38/20/888263820.db2.gz LWUUQERBBDIOGF-IXFSTUDKSA-N 0 0 415.534 4.110 20 5 HIBDRN C[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000473607137 888348975 /nfs/dbraw/zinc/34/89/75/888348975.db2.gz SMZSPDNRXOHICR-NRFANRHFSA-N 0 0 417.893 4.237 20 5 HIBDRN CC(=O)c1cc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1F ZINC000504430924 913243015 /nfs/dbraw/zinc/24/30/15/913243015.db2.gz HXMKHICVTSJXOQ-SECBINFHSA-N 0 0 413.327 4.394 20 5 HIBDRN Cc1cc(NC(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC000473772008 888571739 /nfs/dbraw/zinc/57/17/39/888571739.db2.gz HNMSJZZMAAFFCX-CQSZACIVSA-N 0 0 404.417 4.092 20 5 HIBDRN COc1cccc(Oc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)cn2)c1 ZINC000473783673 888590756 /nfs/dbraw/zinc/59/07/56/888590756.db2.gz FJMIJQLXDSWZEO-UHFFFAOYSA-N 0 0 408.414 4.421 20 5 HIBDRN Cc1cc(NC(=O)N2CCc3cc(Br)cc(F)c3C2)ccc1[N+](=O)[O-] ZINC000473789695 888602347 /nfs/dbraw/zinc/60/23/47/888602347.db2.gz SICMTEQNCJVPMC-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000473839153 888678164 /nfs/dbraw/zinc/67/81/64/888678164.db2.gz YTNFPKSMRBDNLS-UHFFFAOYSA-N 0 0 405.476 4.122 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000473901485 888776396 /nfs/dbraw/zinc/77/63/96/888776396.db2.gz LUKNXEGLUBXHCI-ZDUSSCGKSA-N 0 0 413.405 4.126 20 5 HIBDRN COC(=O)COc1ccc(CNc2cccc(-c3nc(C)c(C)o3)c2)cc1[N+](=O)[O-] ZINC000473987646 888848700 /nfs/dbraw/zinc/84/87/00/888848700.db2.gz OYEYTQWEYWDLQE-UHFFFAOYSA-N 0 0 411.414 4.031 20 5 HIBDRN COC(=O)COc1ccc(CNc2ccc(Cl)cc2OC(F)F)cc1[N+](=O)[O-] ZINC000473996350 888856241 /nfs/dbraw/zinc/85/62/41/888856241.db2.gz PPXUXKYOBOINFU-UHFFFAOYSA-N 0 0 416.764 4.014 20 5 HIBDRN COc1ccc([C@H]2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000504495173 913285731 /nfs/dbraw/zinc/28/57/31/913285731.db2.gz YMCVKYCBKTXOEO-HIFRSBDPSA-N 0 0 403.866 4.073 20 5 HIBDRN Cc1csc(NC2CCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000474037501 888882548 /nfs/dbraw/zinc/88/25/48/888882548.db2.gz VVAHXTKNEVSPMG-CQSZACIVSA-N 0 0 403.508 4.015 20 5 HIBDRN COc1cc(-c2nnc(SCc3c(F)cccc3[N+](=O)[O-])o2)cc(OC)c1OC ZINC000504506975 913297111 /nfs/dbraw/zinc/29/71/11/913297111.db2.gz FBTNSVSZWPEOKS-UHFFFAOYSA-N 0 0 421.406 4.102 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000474160733 888998905 /nfs/dbraw/zinc/99/89/05/888998905.db2.gz SHNVRAUYLXNITA-OAHLLOKOSA-N 0 0 405.458 4.317 20 5 HIBDRN COc1cc(C(=O)N(C)CC2(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000474221213 889060018 /nfs/dbraw/zinc/06/00/18/889060018.db2.gz QSHCINKKDVUSDH-UHFFFAOYSA-N 0 0 406.385 4.009 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000474307951 889172845 /nfs/dbraw/zinc/17/28/45/889172845.db2.gz TYVPFPQZJGKHSK-KRWDZBQOSA-N 0 0 415.471 4.269 20 5 HIBDRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000504541248 913321388 /nfs/dbraw/zinc/32/13/88/913321388.db2.gz LUBYDMJLISQGNL-MRXNPFEDSA-N 0 0 424.526 4.370 20 5 HIBDRN C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000474460679 889325651 /nfs/dbraw/zinc/32/56/51/889325651.db2.gz SZGMHZUKHCTQGU-ZDUSSCGKSA-N 0 0 421.295 4.135 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2cccnc2)cc1 ZINC000474732947 889588385 /nfs/dbraw/zinc/58/83/85/889588385.db2.gz NUZGGKJXDGECGD-MRXNPFEDSA-N 0 0 413.437 4.334 20 5 HIBDRN C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000474740828 889595988 /nfs/dbraw/zinc/59/59/88/889595988.db2.gz UVUFLTFVWDUTPM-INIZCTEOSA-N 0 0 413.437 4.334 20 5 HIBDRN CCOc1cc(C(=O)NCCCOc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC ZINC000474752736 889609816 /nfs/dbraw/zinc/60/98/16/889609816.db2.gz DZEUJRXOJVKMRD-UHFFFAOYSA-N 0 0 424.453 4.354 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000474752499 889609955 /nfs/dbraw/zinc/60/99/55/889609955.db2.gz FJQWVSZVRPLMSG-KBPBESRZSA-N 0 0 418.877 4.213 20 5 HIBDRN COC(=O)c1cc(NCc2ccc(Oc3cccc(OC)c3)nc2)cc(C)c1[N+](=O)[O-] ZINC000474779496 889636833 /nfs/dbraw/zinc/63/68/33/889636833.db2.gz IXIUDFASENPXQG-UHFFFAOYSA-N 0 0 423.425 4.498 20 5 HIBDRN Cc1csc(NC2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)n1 ZINC000474804715 889656996 /nfs/dbraw/zinc/65/69/96/889656996.db2.gz QVVNVKOYNLAVAU-UHFFFAOYSA-N 0 0 402.501 4.291 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000504613810 913369182 /nfs/dbraw/zinc/36/91/82/913369182.db2.gz LTDGXIWPXAFXCP-GFCCVEGCSA-N 0 0 410.293 4.005 20 5 HIBDRN CSc1nc(=O)[nH]c(C)c1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000474820862 889674921 /nfs/dbraw/zinc/67/49/21/889674921.db2.gz IGPACSLIOTYLCI-UHFFFAOYSA-N 0 0 412.427 4.165 20 5 HIBDRN COc1cc(C(=O)NC(C)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000504617917 913372345 /nfs/dbraw/zinc/37/23/45/913372345.db2.gz AQNHNIPKUVHTQK-UHFFFAOYSA-N 0 0 406.438 4.306 20 5 HIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474879870 889735269 /nfs/dbraw/zinc/73/52/69/889735269.db2.gz DHFSNJFBCSBXME-MRXNPFEDSA-N 0 0 414.767 4.481 20 5 HIBDRN COc1c(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)cccc1[N+](=O)[O-] ZINC000474897147 889755423 /nfs/dbraw/zinc/75/54/23/889755423.db2.gz SOOHJGHRJYXTIQ-UHFFFAOYSA-N 0 0 413.361 4.149 20 5 HIBDRN O=C(Cc1noc(/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1)NC1CCCC1 ZINC000504639938 913388994 /nfs/dbraw/zinc/38/89/94/913388994.db2.gz WYDJIEYHIHQPBY-BENRWUELSA-N 0 0 424.482 4.478 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000475090733 889937296 /nfs/dbraw/zinc/93/72/96/889937296.db2.gz NHZLQNNWCRNBAT-UHFFFAOYSA-N 0 0 406.229 4.107 20 5 HIBDRN O=C1CCC[C@@H]1[C@H]1COCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475126470 889988200 /nfs/dbraw/zinc/98/82/00/889988200.db2.gz AXAXJZAPNPYZHE-SJLPKXTDSA-N 0 0 404.850 4.078 20 5 HIBDRN COC(=O)[C@H](CC(F)F)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000475136766 890001582 /nfs/dbraw/zinc/00/15/82/890001582.db2.gz IVXVYCIKHNGOQD-ZDUSSCGKSA-N 0 0 414.792 4.327 20 5 HIBDRN COC(=O)[C@@H](CC(F)F)NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000475149923 890017116 /nfs/dbraw/zinc/01/71/16/890017116.db2.gz JVJARIWBLKMWSV-OAHLLOKOSA-N 0 0 410.442 4.341 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCO[C@H](c2ccsc2)C1 ZINC000475190788 890060923 /nfs/dbraw/zinc/06/09/23/890060923.db2.gz OHGPYWOETYVOGH-AWEZNQCLSA-N 0 0 401.366 4.281 20 5 HIBDRN Cn1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(-c2ccccc2)n1 ZINC000475192371 890062085 /nfs/dbraw/zinc/06/20/85/890062085.db2.gz MPYBYNMTPGNBEN-UHFFFAOYSA-N 0 0 419.363 4.336 20 5 HIBDRN COc1ccc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(OC)c1 ZINC000475196761 890066780 /nfs/dbraw/zinc/06/67/80/890066780.db2.gz KSCOXAKMWWFZOB-UHFFFAOYSA-N 0 0 413.352 4.295 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC(Cc2cccnc2)CC1 ZINC000475198763 890068291 /nfs/dbraw/zinc/06/82/91/890068291.db2.gz YLXRXLHBMYJNLI-UHFFFAOYSA-N 0 0 408.380 4.495 20 5 HIBDRN O=C(NCc1ccn(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475206564 890075986 /nfs/dbraw/zinc/07/59/86/890075986.db2.gz VCTMHAQZNXRNBK-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000475207360 890077936 /nfs/dbraw/zinc/07/79/36/890077936.db2.gz ABGQYMNBVIKWTN-BCOMRZATSA-N 0 0 417.531 4.058 20 5 HIBDRN COCC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(C)o1 ZINC000475216164 890084818 /nfs/dbraw/zinc/08/48/18/890084818.db2.gz BMYCXHPOCMVOHU-ZDUSSCGKSA-N 0 0 401.341 4.414 20 5 HIBDRN COCCCN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475219061 890088798 /nfs/dbraw/zinc/08/87/98/890088798.db2.gz HVWGAEUOEKAXET-UHFFFAOYSA-N 0 0 412.368 4.079 20 5 HIBDRN COc1cc(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)ccc1NC(C)=O ZINC000475220970 890089600 /nfs/dbraw/zinc/08/96/00/890089600.db2.gz VBGJLUUKRXYMEG-UHFFFAOYSA-N 0 0 412.324 4.225 20 5 HIBDRN CC(C)(C)c1nnc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)s1 ZINC000475240744 890118807 /nfs/dbraw/zinc/11/88/07/890118807.db2.gz ZNBHRSBEMNLVMU-UHFFFAOYSA-N 0 0 403.386 4.084 20 5 HIBDRN CCO[C@H](CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000475276355 890172408 /nfs/dbraw/zinc/17/24/08/890172408.db2.gz AZITZRNWHIMSCP-OAQYLSRUSA-N 0 0 419.522 4.133 20 5 HIBDRN C[C@H]1OCC[C@@]12CN(Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 ZINC000475293384 890197075 /nfs/dbraw/zinc/19/70/75/890197075.db2.gz WJHXVBIXYMVXPB-QVKFZJNVSA-N 0 0 418.877 4.420 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c2cc(Br)ccc2n1 ZINC000475293252 890197454 /nfs/dbraw/zinc/19/74/54/890197454.db2.gz JRJMQVTTYDSFQP-UHFFFAOYSA-N 0 0 401.220 4.170 20 5 HIBDRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c2ccccc2)cc1 ZINC000475310774 890224042 /nfs/dbraw/zinc/22/40/42/890224042.db2.gz DZVIYUYVRSTDHK-LJQANCHMSA-N 0 0 418.453 4.107 20 5 HIBDRN Cc1nc(NC(=O)[C@H](Oc2ccccc2Br)C(C)C)ccc1[N+](=O)[O-] ZINC000475313450 890226859 /nfs/dbraw/zinc/22/68/59/890226859.db2.gz PIJPJCULAGYSQM-MRXNPFEDSA-N 0 0 408.252 4.103 20 5 HIBDRN COC(=O)[C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000475374720 890304761 /nfs/dbraw/zinc/30/47/61/890304761.db2.gz QSYXIEFVBDYXSI-KSSFIOAISA-N 0 0 402.422 4.157 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1OCC(F)F ZINC000475416126 890341191 /nfs/dbraw/zinc/34/11/91/890341191.db2.gz XFXAUQRDNSKYSR-SNVBAGLBSA-N 0 0 400.765 4.298 20 5 HIBDRN CCOc1cc(N2CCN(Cc3nc4ccc(F)cc4s3)CC2)ccc1[N+](=O)[O-] ZINC000475496024 890404079 /nfs/dbraw/zinc/40/40/79/890404079.db2.gz MKFMIMRTARIRGW-UHFFFAOYSA-N 0 0 416.478 4.065 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000475502056 890413123 /nfs/dbraw/zinc/41/31/23/890413123.db2.gz MARVNGSSQWPWAN-UHFFFAOYSA-N 0 0 402.878 4.125 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc(F)cc1[N+](=O)[O-] ZINC000504716616 913451788 /nfs/dbraw/zinc/45/17/88/913451788.db2.gz NIFMHLIEQCWCGN-UHFFFAOYSA-N 0 0 402.769 4.409 20 5 HIBDRN COc1c(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000475529101 890453497 /nfs/dbraw/zinc/45/34/97/890453497.db2.gz LGZDNLUNQFBEMX-UHFFFAOYSA-N 0 0 421.240 4.407 20 5 HIBDRN COc1cc(OC)cc(OCCCN(C)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000475555995 890482142 /nfs/dbraw/zinc/48/21/42/890482142.db2.gz ZLUZLWWWZPUSDJ-UHFFFAOYSA-N 0 0 417.462 4.162 20 5 HIBDRN COC(=O)COc1ccc(CN(C)Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000475559098 890486886 /nfs/dbraw/zinc/48/68/86/890486886.db2.gz CCECOLTXMSDKDB-UHFFFAOYSA-N 0 0 413.257 4.085 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000475571462 890503462 /nfs/dbraw/zinc/50/34/62/890503462.db2.gz MUSLJBQRRSCXJG-CYBMUJFWSA-N 0 0 411.384 4.296 20 5 HIBDRN COCCOc1ccc([C@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1OC ZINC000475641118 890582641 /nfs/dbraw/zinc/58/26/41/890582641.db2.gz QTIJHGHSDWMUEE-HNNXBMFYSA-N 0 0 417.462 4.128 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000475641219 890584161 /nfs/dbraw/zinc/58/41/61/890584161.db2.gz SZNBNWHOAABPKC-PZJWPPBQSA-N 0 0 405.458 4.458 20 5 HIBDRN COC(=O)COc1ccc(CN2CC[C@@H](C)C[C@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475706049 890643800 /nfs/dbraw/zinc/64/38/00/890643800.db2.gz NFAYBENZDUVMEO-PBHICJAKSA-N 0 0 402.447 4.021 20 5 HIBDRN Cc1cnc(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000475731418 890670533 /nfs/dbraw/zinc/67/05/33/890670533.db2.gz VDRQSJCCAFFSKY-UHFFFAOYSA-N 0 0 408.380 4.034 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](C)c2ccc(SC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000504739733 913477256 /nfs/dbraw/zinc/47/72/56/913477256.db2.gz FDDOAIQGPYAEMZ-CQSZACIVSA-N 0 0 404.488 4.360 20 5 HIBDRN O=[N+]([O-])c1ccc(NCCN[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)cc1 ZINC000475757207 890704725 /nfs/dbraw/zinc/70/47/25/890704725.db2.gz QYELWRXLEGFHTA-OAQYLSRUSA-N 0 0 415.453 4.436 20 5 HIBDRN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2s1 ZINC000475791528 890731472 /nfs/dbraw/zinc/73/14/72/890731472.db2.gz BYANZPYEJBIQLN-UHFFFAOYSA-N 0 0 420.468 4.095 20 5 HIBDRN COc1ccc(C(=O)N(Cc2cccc(Br)c2)CC2CC2)cc1[N+](=O)[O-] ZINC000475884315 890817734 /nfs/dbraw/zinc/81/77/34/890817734.db2.gz PZZOIMDEHBWSSI-UHFFFAOYSA-N 0 0 419.275 4.418 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c1 ZINC000475886667 890819726 /nfs/dbraw/zinc/81/97/26/890819726.db2.gz GSSAMAPLOMYAQZ-UHFFFAOYSA-N 0 0 407.264 4.385 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c2cccnc2O1 ZINC000475902945 890832479 /nfs/dbraw/zinc/83/24/79/890832479.db2.gz CZUNJGHWOZMLOC-HNNXBMFYSA-N 0 0 404.426 4.030 20 5 HIBDRN O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000504759031 913495661 /nfs/dbraw/zinc/49/56/61/913495661.db2.gz JCNKSJSAGFWBPQ-UHFFFAOYSA-N 0 0 412.449 4.437 20 5 HIBDRN Cc1nn(CCOc2c(Br)cccc2Br)c(C)c1[N+](=O)[O-] ZINC000475935152 890859877 /nfs/dbraw/zinc/85/98/77/890859877.db2.gz BIOPACBGXVTEPP-UHFFFAOYSA-N 0 0 419.073 4.012 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000475964718 890884739 /nfs/dbraw/zinc/88/47/39/890884739.db2.gz FIZQQSXVWIWUNT-STQMWFEESA-N 0 0 404.850 4.284 20 5 HIBDRN CCc1cc(NCc2noc(-c3ccccc3C)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000476042028 890972484 /nfs/dbraw/zinc/97/24/84/890972484.db2.gz MRUIXUKRSCKBNU-UHFFFAOYSA-N 0 0 416.441 4.007 20 5 HIBDRN COc1ccc(CCN(CC(C)(C)C)C(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000476044014 890974110 /nfs/dbraw/zinc/97/41/10/890974110.db2.gz NTVJALUJFBGEAZ-UHFFFAOYSA-N 0 0 400.475 4.343 20 5 HIBDRN COc1c(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000476062038 890990635 /nfs/dbraw/zinc/99/06/35/890990635.db2.gz NFYPFPLRISRLFN-PMERELPUSA-N 0 0 424.478 4.305 20 5 HIBDRN CCCN1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC000476090616 891014591 /nfs/dbraw/zinc/01/45/91/891014591.db2.gz KIXQZTAKXUMBJI-UHFFFAOYSA-N 0 0 409.364 4.212 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)Oc3c(Cl)cccc32)cc1SC ZINC000476107799 891028326 /nfs/dbraw/zinc/02/83/26/891028326.db2.gz IMVXDGPNPFYALZ-SNVBAGLBSA-N 0 0 408.863 4.406 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000504800523 913524187 /nfs/dbraw/zinc/52/41/87/913524187.db2.gz ITLPSHKPDRKJAF-CQSZACIVSA-N 0 0 410.199 4.060 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nc(-c3cc4ccccc4o3)cs2)s1 ZINC000476210399 891140185 /nfs/dbraw/zinc/14/01/85/891140185.db2.gz XAJVHOFBKLHWEC-UHFFFAOYSA-N 0 0 421.481 4.005 20 5 HIBDRN O=C(N[C@H]1CCCN(c2ccccc2F)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000476255863 891178850 /nfs/dbraw/zinc/17/88/50/891178850.db2.gz KSSOIHBWVOWZPO-KRWDZBQOSA-N 0 0 412.465 4.077 20 5 HIBDRN COc1cccc(C(NC(=O)c2cccc([N+](=O)[O-])c2OC)c2cccc(OC)c2)c1 ZINC000476261477 891184781 /nfs/dbraw/zinc/18/47/81/891184781.db2.gz ZTLDTPHYQYUSRZ-UHFFFAOYSA-N 0 0 422.437 4.140 20 5 HIBDRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000476354557 891260257 /nfs/dbraw/zinc/26/02/57/891260257.db2.gz KLRVDLBPWGYPOA-SNVBAGLBSA-N 0 0 415.343 4.106 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)c2ccccc2OC)cc1 ZINC000476417095 891329799 /nfs/dbraw/zinc/32/97/99/891329799.db2.gz IVKIRILMYIMTAB-OAQYLSRUSA-N 0 0 422.437 4.140 20 5 HIBDRN Cc1ccc(-n2c(SCc3c([N+](=O)[O-])ncn3C)nnc2-c2ccccc2F)cc1 ZINC000476470877 891382227 /nfs/dbraw/zinc/38/22/27/891382227.db2.gz IMXPTJOPWFREKP-UHFFFAOYSA-N 0 0 424.461 4.316 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccn(Cc2ccccc2)n1 ZINC000476492941 891402640 /nfs/dbraw/zinc/40/26/40/891402640.db2.gz PMWNEHQKPWQNER-UHFFFAOYSA-N 0 0 405.439 4.215 20 5 HIBDRN COc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3F)o2)cc1OC ZINC000476522433 891435406 /nfs/dbraw/zinc/43/54/06/891435406.db2.gz ZZTMARMWHQHXFC-UHFFFAOYSA-N 0 0 405.407 4.017 20 5 HIBDRN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1cc2cccc(F)c2o1 ZINC000476525930 891437515 /nfs/dbraw/zinc/43/75/15/891437515.db2.gz QQJMVEKHJUPPRV-GFCCVEGCSA-N 0 0 409.373 4.285 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)Nc2n[nH]c3ccc(F)cc23)cc1[N+](=O)[O-])c1ccccn1 ZINC000476571916 891495110 /nfs/dbraw/zinc/49/51/10/891495110.db2.gz BXASQVFSUIHLSG-GFCCVEGCSA-N 0 0 420.404 4.431 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000476577006 891496781 /nfs/dbraw/zinc/49/67/81/891496781.db2.gz XIPJKKACWUKGCV-GOSISDBHSA-N 0 0 403.504 4.023 20 5 HIBDRN CCCN([C@H]1CCCc2cccnc21)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000476616571 891550117 /nfs/dbraw/zinc/55/01/17/891550117.db2.gz HTOPDQCNQPJLAM-KRWDZBQOSA-N 0 0 403.504 4.085 20 5 HIBDRN O=C(Nc1ccsc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000476648740 891588777 /nfs/dbraw/zinc/58/87/77/891588777.db2.gz ZSZUYQCKLWFTKM-UHFFFAOYSA-N 0 0 400.382 4.029 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000476664832 891611164 /nfs/dbraw/zinc/61/11/64/891611164.db2.gz CBGOWVMOONOWIX-UHFFFAOYSA-N 0 0 407.348 4.301 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CC(C)(C)[C@@H]3c3ccncc3)cc2[N+](=O)[O-])C1 ZINC000476681919 891632636 /nfs/dbraw/zinc/63/26/36/891632636.db2.gz RHWAGOXXRFERLL-IERDGZPVSA-N 0 0 408.502 4.449 20 5 HIBDRN COc1cc(OCC(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)ccc1[N+](=O)[O-] ZINC000476681780 891633780 /nfs/dbraw/zinc/63/37/80/891633780.db2.gz BEFLOSCERNEREV-UHFFFAOYSA-N 0 0 417.418 4.192 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@H]1C ZINC000476773839 891748821 /nfs/dbraw/zinc/74/88/21/891748821.db2.gz DRXJLYZVKADYDK-WMLDXEAASA-N 0 0 414.483 4.017 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@H]1C ZINC000476783361 891764049 /nfs/dbraw/zinc/76/40/49/891764049.db2.gz XZJUAZNJOCTDNT-RHSMWYFYSA-N 0 0 420.531 4.148 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000476792921 891776700 /nfs/dbraw/zinc/77/67/00/891776700.db2.gz CBOMYKITMWDYED-QRQLOZEOSA-N 0 0 402.491 4.029 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1F)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000476851998 891822607 /nfs/dbraw/zinc/82/26/07/891822607.db2.gz DBDGHBDUTHVFBG-UHFFFAOYSA-N 0 0 400.406 4.438 20 5 HIBDRN COC(=O)c1ccc(OC(C)C)c(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000476883380 891841741 /nfs/dbraw/zinc/84/17/41/891841741.db2.gz RFGWNLAHNXXGRQ-CYBMUJFWSA-N 0 0 401.419 4.051 20 5 HIBDRN Cc1ccc2[nH]c(CNC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)nc2c1 ZINC000476914582 891865113 /nfs/dbraw/zinc/86/51/13/891865113.db2.gz OSDZGJZNMLYIAK-UHFFFAOYSA-N 0 0 418.403 4.074 20 5 HIBDRN CCn1c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)nc2cccnc21 ZINC000476934117 891877603 /nfs/dbraw/zinc/87/76/03/891877603.db2.gz VLDFKTSIBBGNBY-GJZGRUSLSA-N 0 0 422.489 4.094 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000476971064 891899223 /nfs/dbraw/zinc/89/92/23/891899223.db2.gz RNIITUJSCXVLRY-LAUBAEHRSA-N 0 0 411.502 4.436 20 5 HIBDRN COc1ccc(C2(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCCC2)cc1 ZINC000476979567 891906934 /nfs/dbraw/zinc/90/69/34/891906934.db2.gz LTQYJGDKAQLPHJ-UHFFFAOYSA-N 0 0 410.879 4.005 20 5 HIBDRN COc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ncc1Br ZINC000476982129 891907656 /nfs/dbraw/zinc/90/76/56/891907656.db2.gz QQBIQFLFJRYXMJ-UHFFFAOYSA-N 0 0 420.141 4.032 20 5 HIBDRN 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892049843 /nfs/dbraw/zinc/04/98/43/892049843.db2.gz YMJMJWHOMLMVPS-UHFFFAOYSA-N 0 0 405.382 4.186 20 5 HIBDRN C[C@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000477129500 892058160 /nfs/dbraw/zinc/05/81/60/892058160.db2.gz SQYPGPOEEHOYNX-NSHDSACASA-N 0 0 417.409 4.037 20 5 HIBDRN COc1c(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)cccc1[N+](=O)[O-] ZINC000477129372 892058383 /nfs/dbraw/zinc/05/83/83/892058383.db2.gz UBBQZUBBIWOFDF-UHFFFAOYSA-N 0 0 417.259 4.448 20 5 HIBDRN COc1cc(C(=O)N(C)CC(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000504899067 913630119 /nfs/dbraw/zinc/63/01/19/913630119.db2.gz AFFPYJXRVOIDMZ-UHFFFAOYSA-N 0 0 400.765 4.386 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NC2CCSCC2)cc1[N+](=O)[O-] ZINC000504910084 913642527 /nfs/dbraw/zinc/64/25/27/913642527.db2.gz VWVGNXHPNREDDY-UHFFFAOYSA-N 0 0 416.524 4.173 20 5 HIBDRN CC[C@H](C)n1ncc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1C1CC1 ZINC000477296469 892257712 /nfs/dbraw/zinc/25/77/12/892257712.db2.gz HBNJBPIPQAHNDD-ZDUSSCGKSA-N 0 0 409.446 4.205 20 5 HIBDRN COc1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)ccc1OCCC(C)C ZINC000477331293 892299893 /nfs/dbraw/zinc/29/98/93/892299893.db2.gz PESBBJDVJICBLW-UHFFFAOYSA-N 0 0 404.438 4.026 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)CC/C=C\c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000477352834 892319000 /nfs/dbraw/zinc/31/90/00/892319000.db2.gz RIGUINDKSUOYRU-POHAHGRESA-N 0 0 409.486 4.136 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1ccc(Br)c(F)c1 ZINC000477371797 892333836 /nfs/dbraw/zinc/33/38/36/892333836.db2.gz HXRGSYCCRWQREL-YRNVUSSQSA-N 0 0 416.206 4.151 20 5 HIBDRN O=c1c(Br)cn(Cc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000477399315 892355040 /nfs/dbraw/zinc/35/50/40/892355040.db2.gz RHOCCTCCCHDVRW-UHFFFAOYSA-N 0 0 415.243 4.146 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000477413646 892365974 /nfs/dbraw/zinc/36/59/74/892365974.db2.gz DHSXWVBSJPXSEF-UHFFFAOYSA-N 0 0 417.469 4.071 20 5 HIBDRN COc1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC(F)F ZINC000477485996 892479164 /nfs/dbraw/zinc/47/91/64/892479164.db2.gz AKLXPQJDRPXZHO-CQSZACIVSA-N 0 0 422.384 4.271 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1nnc(/C=C/c2ccco2)s1 ZINC000477531613 892562705 /nfs/dbraw/zinc/56/27/05/892562705.db2.gz MWDBXXHLXMWEJS-AATRIKPKSA-N 0 0 419.850 4.227 20 5 HIBDRN CCn1c2ccccc2c2cc(NC(=O)Cn3cc([N+](=O)[O-])cc(Cl)c3=O)ccc21 ZINC000477546290 892589194 /nfs/dbraw/zinc/58/91/94/892589194.db2.gz CBWXWRBHDUGTNK-UHFFFAOYSA-N 0 0 424.844 4.176 20 5 HIBDRN CC[C@H](C)n1ncc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC000477565745 892622436 /nfs/dbraw/zinc/62/24/36/892622436.db2.gz SMZDHUDZPQSORP-ZDUSSCGKSA-N 0 0 408.462 4.293 20 5 HIBDRN CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000477621016 892723644 /nfs/dbraw/zinc/72/36/44/892723644.db2.gz XONSVYDANCBJBU-AWEZNQCLSA-N 0 0 419.528 4.485 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1OC ZINC000504953281 913693303 /nfs/dbraw/zinc/69/33/03/913693303.db2.gz IKLREPKASBBFFR-UHFFFAOYSA-N 0 0 416.449 4.236 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccccc3OC(F)F)cc2[N+](=O)[O-])C1 ZINC000477647183 892776382 /nfs/dbraw/zinc/77/63/82/892776382.db2.gz ROANALQCIFNPQU-CQSZACIVSA-N 0 0 419.428 4.363 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC(c2nc3ccccc3s2)C1 ZINC000477712859 892822703 /nfs/dbraw/zinc/82/27/03/892822703.db2.gz BPOUVENOBVGYKL-LLVKDONJSA-N 0 0 417.874 4.251 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC(c2nc3ccccc3s2)C1 ZINC000477745541 892839930 /nfs/dbraw/zinc/83/99/30/892839930.db2.gz VSYPEBUSVHCMBK-UHFFFAOYSA-N 0 0 418.272 4.207 20 5 HIBDRN C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Br)cn1 ZINC000477795049 892871079 /nfs/dbraw/zinc/87/10/79/892871079.db2.gz XTUKKDOPAQZMMR-LBPRGKRZSA-N 0 0 422.282 4.330 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000477800356 892874609 /nfs/dbraw/zinc/87/46/09/892874609.db2.gz NVZWVFLAXLNHPZ-UHFFFAOYSA-N 0 0 410.861 4.454 20 5 HIBDRN COC(=O)c1csc(-c2cccc(CNc3cc(OC)c(F)cc3[N+](=O)[O-])c2)n1 ZINC000477800096 892874897 /nfs/dbraw/zinc/87/48/97/892874897.db2.gz OEXWDRFARQYMKG-UHFFFAOYSA-N 0 0 417.418 4.265 20 5 HIBDRN Cc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2I)n1 ZINC000504968752 913708399 /nfs/dbraw/zinc/70/83/99/913708399.db2.gz IGMLEJKYGGOAMN-UHFFFAOYSA-N 0 0 407.167 4.225 20 5 HIBDRN COCCC1(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CCC1 ZINC000477807828 892879985 /nfs/dbraw/zinc/87/99/85/892879985.db2.gz DRIGHQHOLSONKJ-UHFFFAOYSA-N 0 0 407.517 4.200 20 5 HIBDRN CO[C@]1(C)CCCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000477835245 892896305 /nfs/dbraw/zinc/89/63/05/892896305.db2.gz HCOFUTSZWFAKJY-MRXNPFEDSA-N 0 0 406.426 4.123 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(NC(=O)c2ccccc2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000477890863 892956358 /nfs/dbraw/zinc/95/63/58/892956358.db2.gz MEKDATDLXJEURV-UHFFFAOYSA-N 0 0 404.426 4.158 20 5 HIBDRN CCN(C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[C@@H](C)C(F)(F)F ZINC000477952027 893042103 /nfs/dbraw/zinc/04/21/03/893042103.db2.gz YDRMIGAIPZNXPF-MJBXVCDLSA-N 0 0 401.429 4.490 20 5 HIBDRN CSc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000477977152 893072344 /nfs/dbraw/zinc/07/23/44/893072344.db2.gz LRXVSUFNLNERTE-NXEZZACHSA-N 0 0 413.318 4.427 20 5 HIBDRN CCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)C(F)(F)F ZINC000477995271 893095293 /nfs/dbraw/zinc/09/52/93/893095293.db2.gz OEEUMAXAUHBQFT-SECBINFHSA-N 0 0 401.307 4.215 20 5 HIBDRN Cc1csc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1Cl ZINC000477996211 893097308 /nfs/dbraw/zinc/09/73/08/893097308.db2.gz FTFYSTYYMOZWBC-CYBMUJFWSA-N 0 0 410.879 4.431 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000478005295 893111816 /nfs/dbraw/zinc/11/18/16/893111816.db2.gz WBWIPVBMLDGWPV-ZYHUDNBSSA-N 0 0 415.696 4.287 20 5 HIBDRN CCOc1c(Cl)cccc1CC(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000478023461 893145794 /nfs/dbraw/zinc/14/57/94/893145794.db2.gz ZVMKUDPDSOTTCL-UHFFFAOYSA-N 0 0 414.849 4.322 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1OC ZINC000478077815 893240996 /nfs/dbraw/zinc/24/09/96/893240996.db2.gz CXLXDZARLQRTQH-UHFFFAOYSA-N 0 0 404.444 4.143 20 5 HIBDRN COc1cc(C(=O)N(C)Cc2cc(Br)ccc2F)cc([N+](=O)[O-])c1C ZINC000478087644 893253200 /nfs/dbraw/zinc/25/32/00/893253200.db2.gz LFNZTUFQMDGZLL-UHFFFAOYSA-N 0 0 411.227 4.086 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000478114787 893280708 /nfs/dbraw/zinc/28/07/08/893280708.db2.gz DGCUGBTZFLLYCK-NRFANRHFSA-N 0 0 416.437 4.010 20 5 HIBDRN CCCC[C@@](C)(NC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1cccc(Br)c1 ZINC000478128785 893301338 /nfs/dbraw/zinc/30/13/38/893301338.db2.gz QXHCPXLYZUTSBV-GOSISDBHSA-N 0 0 423.311 4.235 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000478142437 893313445 /nfs/dbraw/zinc/31/34/45/893313445.db2.gz QFNLUDGKSRDSNY-GOSISDBHSA-N 0 0 401.850 4.234 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000478189659 893351737 /nfs/dbraw/zinc/35/17/37/893351737.db2.gz GEWKNGBOJVBYMS-INIZCTEOSA-N 0 0 422.503 4.439 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000478209865 893371103 /nfs/dbraw/zinc/37/11/03/893371103.db2.gz TZQIUMDTEXKWFZ-AWEZNQCLSA-N 0 0 407.239 4.055 20 5 HIBDRN COc1ccc(Cc2nnc(Sc3ccc([N+](=O)[O-])cc3Br)o2)cc1 ZINC000478233015 893393049 /nfs/dbraw/zinc/39/30/49/893393049.db2.gz MDILEMCRFVAGNE-UHFFFAOYSA-N 0 0 422.260 4.491 20 5 HIBDRN O=C(Nc1cc(Br)ccc1N1CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000478247391 893419788 /nfs/dbraw/zinc/41/97/88/893419788.db2.gz GUAZREFDGUZQAA-UHFFFAOYSA-N 0 0 408.227 4.349 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCOC2(C1)CCCCCC2 ZINC000478283831 893490518 /nfs/dbraw/zinc/49/05/18/893490518.db2.gz UDCJEEXTTORCQL-UHFFFAOYSA-N 0 0 416.396 4.101 20 5 HIBDRN CC(C)[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc2N1 ZINC000478288916 893498381 /nfs/dbraw/zinc/49/83/81/893498381.db2.gz LHZIOLUYGCXBRA-LJQANCHMSA-N 0 0 408.502 4.295 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCOC2(C1)CCCCCC2 ZINC000478317229 893544866 /nfs/dbraw/zinc/54/48/66/893544866.db2.gz ZIXGWDHVYKLSIU-UHFFFAOYSA-N 0 0 404.510 4.107 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCCc3nc(C)oc3C)cc2[N+](=O)[O-])n1 ZINC000478367373 893628151 /nfs/dbraw/zinc/62/81/51/893628151.db2.gz FDOBMRIFBLSVBN-UHFFFAOYSA-N 0 0 418.500 4.088 20 5 HIBDRN Cc1nnc(-c2ccccc2-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)o1 ZINC000478609427 893873849 /nfs/dbraw/zinc/87/38/49/893873849.db2.gz HVOXSBPPWVMSRE-UHFFFAOYSA-N 0 0 402.370 4.075 20 5 HIBDRN CC(C)(C)CC[C@@H](CO)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000478611892 893875338 /nfs/dbraw/zinc/87/53/38/893875338.db2.gz XHZIEQWPJLXKDI-KRWDZBQOSA-N 0 0 400.475 4.091 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N[C@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000478615361 893877485 /nfs/dbraw/zinc/87/74/85/893877485.db2.gz MLGXOYQGAHYORL-WBVHZDCISA-N 0 0 414.506 4.080 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC3=O)cc2[N+](=O)[O-])C1 ZINC000478625911 893883011 /nfs/dbraw/zinc/88/30/11/893883011.db2.gz IWVOKMOLPKVUJZ-OGWHTMIXSA-N 0 0 413.518 4.051 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cc(C3CCCCC3)nn2C)cc1[N+](=O)[O-] ZINC000478669431 893918649 /nfs/dbraw/zinc/91/86/49/893918649.db2.gz CFVVADOUMJLZIE-UHFFFAOYSA-N 0 0 418.519 4.257 20 5 HIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 ZINC000478669772 893918998 /nfs/dbraw/zinc/91/89/98/893918998.db2.gz BDIUVIZFXDSIRF-UHFFFAOYSA-N 0 0 413.474 4.426 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1NC(=O)N(C)C ZINC000478669364 893919165 /nfs/dbraw/zinc/91/91/65/893919165.db2.gz YBXMQRHNEWERJS-LBPRGKRZSA-N 0 0 420.853 4.056 20 5 HIBDRN Cc1c(Br)cccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000478682458 893935512 /nfs/dbraw/zinc/93/55/12/893935512.db2.gz VBDMQVLHSRZZQV-UHFFFAOYSA-N 0 0 415.190 4.448 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000478682392 893935769 /nfs/dbraw/zinc/93/57/69/893935769.db2.gz UJSSKBKDCREQJC-OAQYLSRUSA-N 0 0 419.437 4.022 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000478711415 893976697 /nfs/dbraw/zinc/97/66/97/893976697.db2.gz PEVJXLZGSLKRQC-UHFFFAOYSA-N 0 0 411.277 4.487 20 5 HIBDRN CC(C)c1csc(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000478713748 893980002 /nfs/dbraw/zinc/98/00/02/893980002.db2.gz VMXNYLAYRBUYLU-UHFFFAOYSA-N 0 0 416.425 4.312 20 5 HIBDRN COC(=O)c1ccc(C(F)(F)F)nc1SCc1cc([N+](=O)[O-])ccc1OC ZINC000478713815 893980342 /nfs/dbraw/zinc/98/03/42/893980342.db2.gz CVLKQPQUXVYDAV-UHFFFAOYSA-N 0 0 402.350 4.096 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000478718665 893988578 /nfs/dbraw/zinc/98/85/78/893988578.db2.gz YYTDSYGKNAKNAI-UHFFFAOYSA-N 0 0 408.252 4.197 20 5 HIBDRN CCOc1cc(OCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000478732873 894007387 /nfs/dbraw/zinc/00/73/87/894007387.db2.gz OQKVZZOQSOAENI-UHFFFAOYSA-N 0 0 422.441 4.074 20 5 HIBDRN O=C(CSCc1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000478735996 894010486 /nfs/dbraw/zinc/01/04/86/894010486.db2.gz ILNNIIAYVGQLFK-UHFFFAOYSA-N 0 0 414.361 4.214 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000505121008 913827100 /nfs/dbraw/zinc/82/71/00/913827100.db2.gz RYBRVYSIZKKUHB-LJQANCHMSA-N 0 0 401.850 4.036 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2C)ccc1OC(C)C ZINC000478760881 894036501 /nfs/dbraw/zinc/03/65/01/894036501.db2.gz AXJPAPHVVDSSHE-OAHLLOKOSA-N 0 0 401.463 4.259 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000478773452 894048426 /nfs/dbraw/zinc/04/84/26/894048426.db2.gz HIBVWBOUKGHIKR-UHFFFAOYSA-N 0 0 409.364 4.023 20 5 HIBDRN Cc1c(CNC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000478789398 894065598 /nfs/dbraw/zinc/06/55/98/894065598.db2.gz RQRFIRVQLYSZRE-UHFFFAOYSA-N 0 0 418.453 4.155 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(CNc3ccccc3)cc2)cc([N+](=O)[O-])c1 ZINC000478796097 894070226 /nfs/dbraw/zinc/07/02/26/894070226.db2.gz JFWWZWYMMFBXJV-UHFFFAOYSA-N 0 0 405.410 4.246 20 5 HIBDRN COc1cc(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)ccc1OC1CCCC1 ZINC000478800239 894075113 /nfs/dbraw/zinc/07/51/13/894075113.db2.gz VTXRMSVEWDNJHP-UHFFFAOYSA-N 0 0 413.474 4.233 20 5 HIBDRN CCC(CC)[C@H]1C[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC000478833112 894110161 /nfs/dbraw/zinc/11/01/61/894110161.db2.gz GYQAWAAEMWLJLC-CXAGYDPISA-N 0 0 418.412 4.250 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(CNC(=O)c2ccccc2[N+](=O)[O-])on1 ZINC000478834013 894111319 /nfs/dbraw/zinc/11/13/19/894111319.db2.gz HWNBTLRDURXRIF-UHFFFAOYSA-N 0 0 403.394 4.342 20 5 HIBDRN Cc1sc(NC(=O)CNc2ccccc2[N+](=O)[O-])nc1-c1c(F)cc(F)cc1F ZINC000505143483 913840182 /nfs/dbraw/zinc/84/01/82/913840182.db2.gz REUXSDNLJKLUQC-UHFFFAOYSA-N 0 0 422.388 4.495 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000505148245 913842198 /nfs/dbraw/zinc/84/21/98/913842198.db2.gz GROSEMGCDZEZFE-ACJLOTCBSA-N 0 0 406.891 4.329 20 5 HIBDRN O=C(NCc1csc(-c2ccco2)n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000478890412 894171315 /nfs/dbraw/zinc/17/13/15/894171315.db2.gz ZLLYPOPZTYSQRG-UHFFFAOYSA-N 0 0 408.233 4.004 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1OCc1csc(C2CC2)n1 ZINC000478892574 894175094 /nfs/dbraw/zinc/17/50/94/894175094.db2.gz NPPRDXKGDJAGGF-UHFFFAOYSA-N 0 0 402.213 4.112 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000478904475 894183876 /nfs/dbraw/zinc/18/38/76/894183876.db2.gz GHASROWDSRSKKQ-ZDUSSCGKSA-N 0 0 419.743 4.002 20 5 HIBDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000478915156 894195466 /nfs/dbraw/zinc/19/54/66/894195466.db2.gz IEWAUTTWFJGFCI-VXNVDRBHSA-N 0 0 421.224 4.253 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1Br)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000478923040 894203163 /nfs/dbraw/zinc/20/31/63/894203163.db2.gz CXUNMBDBVZPHRB-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000478948239 894230299 /nfs/dbraw/zinc/23/02/99/894230299.db2.gz CHPRKHAWXGWTJC-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000479008281 894276209 /nfs/dbraw/zinc/27/62/09/894276209.db2.gz DXPYHZCNQDEAND-UHFFFAOYSA-N 0 0 416.377 4.484 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000479032118 894295393 /nfs/dbraw/zinc/29/53/93/894295393.db2.gz PSZYTNKOBCNILM-UHFFFAOYSA-N 0 0 423.391 4.127 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc([N+](=O)[O-])c1C ZINC000479076503 894342502 /nfs/dbraw/zinc/34/25/02/894342502.db2.gz FRQXXHMLVNKZRQ-UHFFFAOYSA-N 0 0 402.300 4.244 20 5 HIBDRN Cc1ccc(Br)c(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000479091179 894356670 /nfs/dbraw/zinc/35/66/70/894356670.db2.gz BBNQYPKMWZTHFM-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2N2CCCC2)c1 ZINC000479184626 894453587 /nfs/dbraw/zinc/45/35/87/894453587.db2.gz JBQFIUPMYIYVSR-UHFFFAOYSA-N 0 0 420.263 4.218 20 5 HIBDRN Cc1cccc([C@H]2NC(=O)N(Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2=O)c1C ZINC000479187215 894455120 /nfs/dbraw/zinc/45/51/20/894455120.db2.gz VJMWDCRUYCIELS-MRXNPFEDSA-N 0 0 407.348 4.024 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])cc1OCC ZINC000479229889 894492953 /nfs/dbraw/zinc/49/29/53/894492953.db2.gz CJRCWRPYABCTRI-OAHLLOKOSA-N 0 0 415.446 4.297 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000479277286 894552456 /nfs/dbraw/zinc/55/24/56/894552456.db2.gz DFDOCSOHQBOSDJ-IBGZPJMESA-N 0 0 419.840 4.175 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000479288115 894568880 /nfs/dbraw/zinc/56/88/80/894568880.db2.gz XNSZLBSTEOBERR-AWEZNQCLSA-N 0 0 408.442 4.430 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000479342721 894637800 /nfs/dbraw/zinc/63/78/00/894637800.db2.gz LRTTUFMAWSSWIV-CQSZACIVSA-N 0 0 405.857 4.060 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(C(F)(F)F)cc1 ZINC000479372376 894673360 /nfs/dbraw/zinc/67/33/60/894673360.db2.gz IAYOLHYNWMOQAE-LBPRGKRZSA-N 0 0 416.377 4.018 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000479373637 894674915 /nfs/dbraw/zinc/67/49/15/894674915.db2.gz BTLAHMWMLXKDFM-UHFFFAOYSA-N 0 0 411.483 4.015 20 5 HIBDRN CCC(=O)c1ccc(NC[C@H](O)COc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000479379481 894680718 /nfs/dbraw/zinc/68/07/18/894680718.db2.gz QOGLHBCFGHJDNP-AWEZNQCLSA-N 0 0 412.364 4.058 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000479436423 894750710 /nfs/dbraw/zinc/75/07/10/894750710.db2.gz IVUTVRPJNWNVHO-UHFFFAOYSA-N 0 0 417.512 4.215 20 5 HIBDRN Cc1ccc(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(Br)c1 ZINC000479472886 894796200 /nfs/dbraw/zinc/79/62/00/894796200.db2.gz ILVXTFUNEJUHLC-UHFFFAOYSA-N 0 0 403.276 4.183 20 5 HIBDRN CCC[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000479475093 894798101 /nfs/dbraw/zinc/79/81/01/894798101.db2.gz LAWRZPBXHQEDJS-DLBZAZTESA-N 0 0 406.280 4.015 20 5 HIBDRN Cc1ccc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000505253531 913908697 /nfs/dbraw/zinc/90/86/97/913908697.db2.gz GACRWBQXCZLMGT-UHFFFAOYSA-N 0 0 423.391 4.411 20 5 HIBDRN COc1cc(OCC(=O)Nc2nc3c(ccc4c3CCCC4)s2)ccc1[N+](=O)[O-] ZINC000505257237 913912660 /nfs/dbraw/zinc/91/26/60/913912660.db2.gz IQJDAXLFAZAVKG-UHFFFAOYSA-N 0 0 413.455 4.109 20 5 HIBDRN CCCOc1ccc([C@H](C)NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1OC ZINC000479668971 894946967 /nfs/dbraw/zinc/94/69/67/894946967.db2.gz XEJCZOWWBLGJQC-HNNXBMFYSA-N 0 0 424.457 4.069 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)cc1OC ZINC000479671641 894950958 /nfs/dbraw/zinc/95/09/58/894950958.db2.gz GTEZNOAMEHHRKY-HXPMCKFVSA-N 0 0 422.865 4.162 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000479672060 894951646 /nfs/dbraw/zinc/95/16/46/894951646.db2.gz HRFSDKWYLWKTSM-LLVKDONJSA-N 0 0 412.412 4.125 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCc3cc(Br)ccc3C2)cc1[N+](=O)[O-] ZINC000479699506 894991680 /nfs/dbraw/zinc/99/16/80/894991680.db2.gz JADGTEAETBHSEO-ZDUSSCGKSA-N 0 0 418.291 4.495 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)Oc4c(F)cccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000479722057 895019882 /nfs/dbraw/zinc/01/98/82/895019882.db2.gz RLDSDSUZYTZDLV-ZDUSSCGKSA-N 0 0 424.432 4.023 20 5 HIBDRN C[C@@H](S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000479723404 895021260 /nfs/dbraw/zinc/02/12/60/895021260.db2.gz TZDUHVFNXRDDHH-VHSXEESVSA-N 0 0 422.425 4.404 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000479724856 895023394 /nfs/dbraw/zinc/02/33/94/895023394.db2.gz WTHQWOFACZWAIZ-SJLPKXTDSA-N 0 0 407.829 4.025 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000479732353 895030674 /nfs/dbraw/zinc/03/06/74/895030674.db2.gz XMYIKTOFPDJODT-XOBRGWDASA-N 0 0 417.893 4.354 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000479750581 895049912 /nfs/dbraw/zinc/04/99/12/895049912.db2.gz VBSIDABPCUVTRX-GFCCVEGCSA-N 0 0 422.279 4.235 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)c1[N+](=O)[O-] ZINC000479767811 895068954 /nfs/dbraw/zinc/06/89/54/895068954.db2.gz BIAZPVLCOOPJHK-UHFFFAOYSA-N 0 0 420.351 4.290 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000479770382 895072091 /nfs/dbraw/zinc/07/20/91/895072091.db2.gz GYAHZLBBKDPIQI-VMDGZTHMSA-N 0 0 413.474 4.191 20 5 HIBDRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000479784229 895086861 /nfs/dbraw/zinc/08/68/61/895086861.db2.gz XFCBDCBLCQPRBT-CYBMUJFWSA-N 0 0 406.280 4.033 20 5 HIBDRN CS(=O)(=O)c1cc(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000505277245 913933628 /nfs/dbraw/zinc/93/36/28/913933628.db2.gz DBTRKNBKWVMTBJ-FQEVSTJZSA-N 0 0 416.499 4.050 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000479808507 895117253 /nfs/dbraw/zinc/11/72/53/895117253.db2.gz BWMYOIOVVQMPGR-YUNKPMOVSA-N 0 0 401.850 4.164 20 5 HIBDRN O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000479810728 895118249 /nfs/dbraw/zinc/11/82/49/895118249.db2.gz USIULUZOPYTBAO-UHFFFAOYSA-N 0 0 404.304 4.448 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2NC(C)=O)cc([N+](=O)[O-])c1C ZINC000479811657 895121321 /nfs/dbraw/zinc/12/13/21/895121321.db2.gz XNZQBYBLOBRNIV-UHFFFAOYSA-N 0 0 411.336 4.141 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000479821302 895136096 /nfs/dbraw/zinc/13/60/96/895136096.db2.gz XKCPNWAXQAPWKR-ZDUSSCGKSA-N 0 0 408.380 4.322 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000479848654 895179572 /nfs/dbraw/zinc/17/95/72/895179572.db2.gz GIMGXHCFGNBVBI-UHFFFAOYSA-N 0 0 420.918 4.352 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000479850364 895182207 /nfs/dbraw/zinc/18/22/07/895182207.db2.gz HOQCHMBZYIOTFG-UHFFFAOYSA-N 0 0 410.861 4.454 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000479853839 895186767 /nfs/dbraw/zinc/18/67/67/895186767.db2.gz TUABGWVQMWZOGI-UHFFFAOYSA-N 0 0 424.457 4.487 20 5 HIBDRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479856973 895191147 /nfs/dbraw/zinc/19/11/47/895191147.db2.gz NWYQSAVVYKRWHU-CYBMUJFWSA-N 0 0 418.375 4.160 20 5 HIBDRN O=C(CN[C@H](c1nccs1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479868062 895207888 /nfs/dbraw/zinc/20/78/88/895207888.db2.gz XWZCHFAOILEZTG-KRWDZBQOSA-N 0 0 402.863 4.022 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H]2COc3c2ccc(C)c3C)c([N+](=O)[O-])cc1OCC ZINC000479928778 895278241 /nfs/dbraw/zinc/27/82/41/895278241.db2.gz LWZBVZHELSCAFC-MRXNPFEDSA-N 0 0 415.446 4.264 20 5 HIBDRN Cc1nn(Cc2nc(-c3cccc(Br)c3)no2)c2ccc([N+](=O)[O-])cc12 ZINC000479940282 895291899 /nfs/dbraw/zinc/29/18/99/895291899.db2.gz LCOCWIYBWFTWRQ-UHFFFAOYSA-N 0 0 414.219 4.114 20 5 HIBDRN COc1cccc(Oc2ncccc2CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000479974335 895328126 /nfs/dbraw/zinc/32/81/26/895328126.db2.gz CYOWTLZBDUMSDA-UHFFFAOYSA-N 0 0 423.425 4.038 20 5 HIBDRN Cc1ccccc1[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@H](C)CO1 ZINC000480041583 895390785 /nfs/dbraw/zinc/39/07/85/895390785.db2.gz HLADURNXXWMYHK-VGOFRKELSA-N 0 0 409.486 4.106 20 5 HIBDRN Cc1c(CNC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cccc1[N+](=O)[O-] ZINC000480053463 895402507 /nfs/dbraw/zinc/40/25/07/895402507.db2.gz KPWXUTYPJLDVIO-INIZCTEOSA-N 0 0 414.531 4.328 20 5 HIBDRN Cc1c(CNC(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000480069614 895420682 /nfs/dbraw/zinc/42/06/82/895420682.db2.gz LLTOKHAZROVLLC-UHFFFAOYSA-N 0 0 407.474 4.068 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 ZINC000480084151 895443265 /nfs/dbraw/zinc/44/32/65/895443265.db2.gz VOLCPMFQQZWNRD-UHFFFAOYSA-N 0 0 403.446 4.170 20 5 HIBDRN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000480153818 895538680 /nfs/dbraw/zinc/53/86/80/895538680.db2.gz OIBKKBPAUKRLLE-UHFFFAOYSA-N 0 0 420.425 4.464 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000480360044 895766443 /nfs/dbraw/zinc/76/64/43/895766443.db2.gz SMBMOVXHLSMRQB-JTQLQIEISA-N 0 0 400.765 4.298 20 5 HIBDRN CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000480369911 895777591 /nfs/dbraw/zinc/77/75/91/895777591.db2.gz CVKFIVFMEVUVSQ-UHFFFAOYSA-N 0 0 415.450 4.133 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000480397585 895802069 /nfs/dbraw/zinc/80/20/69/895802069.db2.gz WYGMIBVRFHJFBS-HXUWFJFHSA-N 0 0 419.384 4.250 20 5 HIBDRN COc1ccc([C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000480400231 895804562 /nfs/dbraw/zinc/80/45/62/895804562.db2.gz BDODAMAAHKPAHE-HXUWFJFHSA-N 0 0 408.458 4.377 20 5 HIBDRN COc1cc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000480437296 895828354 /nfs/dbraw/zinc/82/83/54/895828354.db2.gz XPNGSSHAKCHMEQ-SFHVURJKSA-N 0 0 419.503 4.146 20 5 HIBDRN CC(=O)N(c1nc(CNCc2cccc([N+](=O)[O-])c2C)cs1)c1ccc(F)cc1 ZINC000480483540 895860534 /nfs/dbraw/zinc/86/05/34/895860534.db2.gz PSGRNJSQJPRWIR-UHFFFAOYSA-N 0 0 414.462 4.473 20 5 HIBDRN COCCC1(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CCCCC1 ZINC000480520033 895884192 /nfs/dbraw/zinc/88/41/92/895884192.db2.gz ATIRBBSYDMIHRZ-UHFFFAOYSA-N 0 0 420.897 4.193 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Br)c(F)cc2F)cc([N+](=O)[O-])c1C ZINC000480524816 895889004 /nfs/dbraw/zinc/88/90/04/895889004.db2.gz IZZNVLKHPGGFSL-UHFFFAOYSA-N 0 0 401.163 4.205 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCCSCC1 ZINC000480529978 895893392 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408.483 4.091 20 5 HIBDRN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000480672830 896036627 /nfs/dbraw/zinc/03/66/27/896036627.db2.gz VHRWJGQVSPNWOC-HNNXBMFYSA-N 0 0 422.485 4.113 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000480674490 896038356 /nfs/dbraw/zinc/03/83/56/896038356.db2.gz IMBCPBLWUICCFO-UHFFFAOYSA-N 0 0 415.302 4.251 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000480754383 896114652 /nfs/dbraw/zinc/11/46/52/896114652.db2.gz KICMNYLNOOFOPH-UHFFFAOYSA-N 0 0 402.394 4.047 20 5 HIBDRN COCCNc1ccccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000480830602 896203891 /nfs/dbraw/zinc/20/38/91/896203891.db2.gz QFKXIDXVKJCJIG-UHFFFAOYSA-N 0 0 412.490 4.142 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000480833233 896206968 /nfs/dbraw/zinc/20/69/68/896206968.db2.gz XMVCTCHLCPTBDO-UHFFFAOYSA-N 0 0 416.279 4.252 20 5 HIBDRN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1csc2ccccc21)c1cccnc1 ZINC000480933823 896283976 /nfs/dbraw/zinc/28/39/76/896283976.db2.gz AWUCJIIGUDHDFU-OAQYLSRUSA-N 0 0 421.482 4.039 20 5 HIBDRN C[C@@H]1[C@@H](C)CCN1C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000480940855 896288489 /nfs/dbraw/zinc/28/84/89/896288489.db2.gz WFWRIXDGJZXCGR-QWHCGFSZSA-N 0 0 401.850 4.371 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(N2Cc3ccc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000481077723 896397188 /nfs/dbraw/zinc/39/71/88/896397188.db2.gz GAISAAIESFWWLP-UHFFFAOYSA-N 0 0 416.433 4.441 20 5 HIBDRN CNC(=O)C[C@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 ZINC000481110893 896433770 /nfs/dbraw/zinc/43/37/70/896433770.db2.gz NSUNLDXMMXSDGE-FQEVSTJZSA-N 0 0 403.438 4.115 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000505405875 914071219 /nfs/dbraw/zinc/07/12/19/914071219.db2.gz ZISAIVAYAHPBIX-OAHLLOKOSA-N 0 0 422.281 4.412 20 5 HIBDRN O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000481257282 896608265 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20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC2(CCOCC2)c2ccccc21 ZINC000481449682 896846030 /nfs/dbraw/zinc/84/60/30/896846030.db2.gz PERFYKLVKMWTPO-UHFFFAOYSA-N 0 0 410.473 4.390 20 5 HIBDRN C[C@H](Cn1ccnc1)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481449909 896846278 /nfs/dbraw/zinc/84/62/78/896846278.db2.gz UQTIPGITCQCTBE-CYBMUJFWSA-N 0 0 400.822 4.056 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000481459505 896853572 /nfs/dbraw/zinc/85/35/72/896853572.db2.gz MLNAUWRMJUEDLH-MRXNPFEDSA-N 0 0 417.334 4.361 20 5 HIBDRN Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1cccs1 ZINC000481473267 896860950 /nfs/dbraw/zinc/86/09/50/896860950.db2.gz FGNKLMMGHZQNQD-UHFFFAOYSA-N 0 0 409.467 4.455 20 5 HIBDRN Cc1c(CNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cccc1[N+](=O)[O-] ZINC000481474383 896861791 /nfs/dbraw/zinc/86/17/91/896861791.db2.gz JPNNCTOPBAKPDF-UHFFFAOYSA-N 0 0 416.437 4.060 20 5 HIBDRN Cc1c(CNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000481483580 896866242 /nfs/dbraw/zinc/86/62/42/896866242.db2.gz ZNHBLAIOBZYZIT-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN Cc1c(CNC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)cccc1[N+](=O)[O-] ZINC000481489991 896869927 /nfs/dbraw/zinc/86/99/27/896869927.db2.gz JIOSWCHVVVOVQB-NSHDSACASA-N 0 0 409.255 4.300 20 5 HIBDRN CCN(CC)C(=O)c1cccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000481625493 897009537 /nfs/dbraw/zinc/00/95/37/897009537.db2.gz LQUXOGSCBQALOI-UHFFFAOYSA-N 0 0 418.881 4.094 20 5 HIBDRN O=C(Nc1ccc(Oc2ncncc2Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481694776 897081484 /nfs/dbraw/zinc/08/14/84/897081484.db2.gz SAWMLLILDQSMDJ-UHFFFAOYSA-N 0 0 415.203 4.192 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(Br)cc2Cl)c1 ZINC000481695459 897082466 /nfs/dbraw/zinc/08/24/66/897082466.db2.gz MWMDZFGIQGFQPG-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN COc1cc(CN2CCC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OC(F)F ZINC000481706775 897097345 /nfs/dbraw/zinc/09/73/45/897097345.db2.gz KZAOCUAJEBCZIS-NRFANRHFSA-N 0 0 420.412 4.226 20 5 HIBDRN CN(Cc1ccc(F)cc1Br)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000481721807 897115751 /nfs/dbraw/zinc/11/57/51/897115751.db2.gz WRDCGBFDTUUGRF-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN O=C(c1ccc(-c2cncnc2)cc1F)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000481813941 897187857 /nfs/dbraw/zinc/18/78/57/897187857.db2.gz LPODZXFNNHVYBI-HXUWFJFHSA-N 0 0 410.430 4.079 20 5 HIBDRN COc1cc(OCC(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)ccc1[N+](=O)[O-] ZINC000481872411 897243985 /nfs/dbraw/zinc/24/39/85/897243985.db2.gz IXEXOJKWVCKILB-UHFFFAOYSA-N 0 0 424.457 4.238 20 5 HIBDRN CCOc1ccc(-c2nc(COc3ccc([N+](=O)[O-])c(C(=O)OC)c3)cs2)cc1 ZINC000481900459 897280485 /nfs/dbraw/zinc/28/04/85/897280485.db2.gz NQWVGUUBGUGBJI-UHFFFAOYSA-N 0 0 414.439 4.483 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1SC ZINC000481917014 897301399 /nfs/dbraw/zinc/30/13/99/897301399.db2.gz GZFSTMJPVVPFET-FQEVSTJZSA-N 0 0 409.467 4.240 20 5 HIBDRN COC(=O)c1cc(OCC(=O)Nc2ccccc2Oc2ccccc2)ccc1[N+](=O)[O-] ZINC000481941521 897327790 /nfs/dbraw/zinc/32/77/90/897327790.db2.gz HLRXOWOLAWENBF-UHFFFAOYSA-N 0 0 422.393 4.191 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)n(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000481966451 897356735 /nfs/dbraw/zinc/35/67/35/897356735.db2.gz KJNIJMGYFJRJLB-UHFFFAOYSA-N 0 0 422.441 4.297 20 5 HIBDRN Cn1c2ccccc2nc(COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])c1=O ZINC000481977455 897371055 /nfs/dbraw/zinc/37/10/55/897371055.db2.gz XHVUMWFNGPSAST-UHFFFAOYSA-N 0 0 401.422 4.012 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nnc(CC)[nH]2)CC1 ZINC000481991563 897388149 /nfs/dbraw/zinc/38/81/49/897388149.db2.gz LMESJPJLXXFRKH-UHFFFAOYSA-N 0 0 417.535 4.187 20 5 HIBDRN CCN1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)sc2C1 ZINC000481997500 897393559 /nfs/dbraw/zinc/39/35/59/897393559.db2.gz JBRVFBZLVLDCEA-UHFFFAOYSA-N 0 0 420.560 4.430 20 5 HIBDRN CCOC(=O)c1ccnc(N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)c1[N+](=O)[O-] ZINC000482002430 897399142 /nfs/dbraw/zinc/39/91/42/897399142.db2.gz XVCHUTNIBMLLQI-HNNXBMFYSA-N 0 0 409.446 4.142 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000482017408 897420492 /nfs/dbraw/zinc/42/04/92/897420492.db2.gz VWTUPQWUYGMLMC-MRVPVSSYSA-N 0 0 404.776 4.115 20 5 HIBDRN COc1ccc2c(c1NC(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)CCC2 ZINC000482019803 897424480 /nfs/dbraw/zinc/42/44/80/897424480.db2.gz VSMNNEMXNKVGHK-UHFFFAOYSA-N 0 0 420.469 4.206 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000505483983 914165431 /nfs/dbraw/zinc/16/54/31/914165431.db2.gz NYXQUZAFYVWHNR-ZBFHGGJFSA-N 0 0 416.359 4.085 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000482095429 897540677 /nfs/dbraw/zinc/54/06/77/897540677.db2.gz PCSNEJNIJQMYKG-XMMPIXPASA-N 0 0 416.481 4.291 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000482120819 897574425 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/nfs/dbraw/zinc/89/35/20/899893520.db2.gz QOJCCVFQZQMNPF-UHFFFAOYSA-N 0 0 411.437 4.064 20 5 HIBDRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000484497270 899988142 /nfs/dbraw/zinc/98/81/42/899988142.db2.gz JFYOGTKZJFTFST-OAHLLOKOSA-N 0 0 418.475 4.214 20 5 HIBDRN CCCCn1c(=O)c2ccccc2nc1SCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000484503307 899993435 /nfs/dbraw/zinc/99/34/35/899993435.db2.gz QVJUEFAUCYWQTB-UHFFFAOYSA-N 0 0 409.471 4.273 20 5 HIBDRN COc1cc(Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1[N+](=O)[O-] ZINC000484514094 900003485 /nfs/dbraw/zinc/00/34/85/900003485.db2.gz KKHPOXWUOHRCCJ-UHFFFAOYSA-N 0 0 407.451 4.399 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000484517564 900006005 /nfs/dbraw/zinc/00/60/05/900006005.db2.gz UBTCZFKDRCPBLQ-GGPKGHCWSA-N 0 0 411.458 4.030 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000484519282 900007751 /nfs/dbraw/zinc/00/77/51/900007751.db2.gz XRVSXOZDSILONE-OAHLLOKOSA-N 0 0 421.544 4.326 20 5 HIBDRN COc1cc(CSc2nc3cc4ccccc4cc3c(=O)n2C)ccc1[N+](=O)[O-] ZINC000484546944 900027904 /nfs/dbraw/zinc/02/79/04/900027904.db2.gz ZTUAHRHRAXPHCH-UHFFFAOYSA-N 0 0 407.451 4.296 20 5 HIBDRN O=C(Nc1ccc(-c2ccc(Br)s2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000484583888 900049052 /nfs/dbraw/zinc/04/90/52/900049052.db2.gz MTIBQSHDRQNSFZ-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000484587747 900052233 /nfs/dbraw/zinc/05/22/33/900052233.db2.gz UTEMCNPYBVAXTO-UHFFFAOYSA-N 0 0 419.260 4.057 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(NC(=O)C2CC2)cc1 ZINC000484768209 900182172 /nfs/dbraw/zinc/18/21/72/900182172.db2.gz CFXBNAVCRMMSIC-LLVKDONJSA-N 0 0 419.384 4.036 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000505741755 914419918 /nfs/dbraw/zinc/41/99/18/914419918.db2.gz JVJCYFXTWVGHQF-SFHVURJKSA-N 0 0 404.463 4.450 20 5 HIBDRN CCCOc1ccc(C(C)(C)NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])cc1 ZINC000484804663 900208508 /nfs/dbraw/zinc/20/85/08/900208508.db2.gz RFCYALZCKCTEMN-UHFFFAOYSA-N 0 0 416.474 4.456 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000484806406 900209436 /nfs/dbraw/zinc/20/94/36/900209436.db2.gz VMFXHDRJDOHNEV-UHFFFAOYSA-N 0 0 406.460 4.293 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000484868628 900257814 /nfs/dbraw/zinc/25/78/14/900257814.db2.gz UNRCGVWGZAVDIU-VXKWHMMOSA-N 0 0 422.481 4.348 20 5 HIBDRN CC1(C)C[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c2ccc(F)cc2O1 ZINC000484874842 900263317 /nfs/dbraw/zinc/26/33/17/900263317.db2.gz CZPSWYZRTBCEDE-KRWDZBQOSA-N 0 0 411.389 4.020 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000484938048 900309354 /nfs/dbraw/zinc/30/93/54/900309354.db2.gz PVEXCMJEXGRCQD-JOCHJYFZSA-N 0 0 420.421 4.306 20 5 HIBDRN Cc1c2ccccc2oc1[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000484941179 900311115 /nfs/dbraw/zinc/31/11/15/900311115.db2.gz XIECKOKSZXILMZ-YWZLYKJASA-N 0 0 423.469 4.281 20 5 HIBDRN CSc1nnc(CCCNc2ccc3ncccc3c2[N+](=O)[O-])n1CC(C)C ZINC000484966579 900328787 /nfs/dbraw/zinc/32/87/87/900328787.db2.gz DKRQKTITKBSFSF-UHFFFAOYSA-N 0 0 400.508 4.157 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(F)cc1Br ZINC000485030767 900372498 /nfs/dbraw/zinc/37/24/98/900372498.db2.gz SABCKMNEXBNGRJ-UHFFFAOYSA-N 0 0 424.270 4.265 20 5 HIBDRN CCN(CC1CCC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000485053238 900383009 /nfs/dbraw/zinc/38/30/09/900383009.db2.gz LKRASGHPZNHXKW-UHFFFAOYSA-N 0 0 419.528 4.395 20 5 HIBDRN Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000485222520 900509632 /nfs/dbraw/zinc/50/96/32/900509632.db2.gz XVDQPPUHLKWVPU-HUUCEWRRSA-N 0 0 415.471 4.499 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(-n4ccnc4)c3)cc2[N+](=O)[O-])C1 ZINC000485223792 900509789 /nfs/dbraw/zinc/50/97/89/900509789.db2.gz OEJXFRAPVNYUQE-MRXNPFEDSA-N 0 0 405.458 4.269 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485226708 900513243 /nfs/dbraw/zinc/51/32/43/900513243.db2.gz YPXBKDROSNRYRJ-SIKLNZKXSA-N 0 0 409.486 4.437 20 5 HIBDRN COC(=O)c1cccn2cc(CSc3ccc(Br)cc3[N+](=O)[O-])nc12 ZINC000485266123 900549163 /nfs/dbraw/zinc/54/91/63/900549163.db2.gz WSSNKGJVDUXYPM-UHFFFAOYSA-N 0 0 422.260 4.084 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000505798798 914463083 /nfs/dbraw/zinc/46/30/83/914463083.db2.gz HWDUBYNFRUYJFW-UHFFFAOYSA-N 0 0 420.462 4.075 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O ZINC000485352660 900646428 /nfs/dbraw/zinc/64/64/28/900646428.db2.gz DLQFJIBNRKRUMZ-UHFFFAOYSA-N 0 0 407.451 4.399 20 5 HIBDRN CC[C@H](C)n1ncc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000485356475 900651430 /nfs/dbraw/zinc/65/14/30/900651430.db2.gz KRLLMBFZXMSGHP-AWEZNQCLSA-N 0 0 401.467 4.146 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CSc1nnc(COc2ccccc2Cl)n1C ZINC000485360172 900655842 /nfs/dbraw/zinc/65/58/42/900655842.db2.gz QATPWHAZDFLTNP-UHFFFAOYSA-N 0 0 420.878 4.257 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000485360662 900656012 /nfs/dbraw/zinc/65/60/12/900656012.db2.gz UBUZPFUHCVFDIM-UHFFFAOYSA-N 0 0 402.410 4.464 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1noc(-c2ccc(Cl)cc2)n1 ZINC000485370810 900669308 /nfs/dbraw/zinc/66/93/08/900669308.db2.gz DEJSAKXRSFVLNR-LBPRGKRZSA-N 0 0 421.862 4.283 20 5 HIBDRN CC(C)n1cnnc1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485399496 900697796 /nfs/dbraw/zinc/69/77/96/900697796.db2.gz PWPUTHSDEQRJPY-INIZCTEOSA-N 0 0 410.453 4.352 20 5 HIBDRN CNC(=O)c1ccc(N2CCC[C@@H]2c2ccc(Br)c(F)c2)c([N+](=O)[O-])c1 ZINC000485406276 900705238 /nfs/dbraw/zinc/70/52/38/900705238.db2.gz LJGDKALSISOIBR-OAHLLOKOSA-N 0 0 422.254 4.198 20 5 HIBDRN O=C(NC1CC1)c1cccc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c1 ZINC000485410083 900707718 /nfs/dbraw/zinc/70/77/18/900707718.db2.gz UGEYBPXZPRROAP-UHFFFAOYSA-N 0 0 406.417 4.300 20 5 HIBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C(=O)N1Cc2ccccc2C1 ZINC000485409535 900707759 /nfs/dbraw/zinc/70/77/59/900707759.db2.gz IJQXTWCLNQSZQQ-AWEZNQCLSA-N 0 0 406.417 4.139 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C(=O)N1Cc2ccccc2C1 ZINC000485409536 900707946 /nfs/dbraw/zinc/70/79/46/900707946.db2.gz IJQXTWCLNQSZQQ-CQSZACIVSA-N 0 0 406.417 4.139 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000485409370 900708142 /nfs/dbraw/zinc/70/81/42/900708142.db2.gz RSUFVGISTWJRNZ-CYBMUJFWSA-N 0 0 418.396 4.460 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000485412905 900710638 /nfs/dbraw/zinc/71/06/38/900710638.db2.gz UIHVTNBEVCZDHA-UHFFFAOYSA-N 0 0 422.416 4.345 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000485430284 900728038 /nfs/dbraw/zinc/72/80/38/900728038.db2.gz LPCAHJMGMRAXCS-GFCCVEGCSA-N 0 0 409.364 4.080 20 5 HIBDRN CSc1cccc(C(=O)NCc2cccc(COCC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000485489814 900780021 /nfs/dbraw/zinc/78/00/21/900780021.db2.gz JTCHMAHPNZMNHW-UHFFFAOYSA-N 0 0 414.405 4.326 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485497914 900787029 /nfs/dbraw/zinc/78/70/29/900787029.db2.gz VUKZJANHOFIVRA-NVXWUHKLSA-N 0 0 405.907 4.145 20 5 HIBDRN CSc1cccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000485501636 900791019 /nfs/dbraw/zinc/79/10/19/900791019.db2.gz WUKNBWAPKAJCAP-OAHLLOKOSA-N 0 0 410.854 4.323 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)c1[N+](=O)[O-] ZINC000485511420 900797665 /nfs/dbraw/zinc/79/76/65/900797665.db2.gz BADHBEGFTUJRQM-CQSZACIVSA-N 0 0 410.499 4.172 20 5 HIBDRN O=C(NCc1ccccc1OCC1CC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000485518526 900802623 /nfs/dbraw/zinc/80/26/23/900802623.db2.gz PCTIOVDIGFTCEG-UHFFFAOYSA-N 0 0 411.277 4.138 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N(CCc1cccc(F)c1)C1CC1 ZINC000485560161 900833199 /nfs/dbraw/zinc/83/31/99/900833199.db2.gz PCDWVJUEOCSXAP-UHFFFAOYSA-N 0 0 413.268 4.405 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000485563158 900834528 /nfs/dbraw/zinc/83/45/28/900834528.db2.gz RUPWUCSNBFGIRZ-INIZCTEOSA-N 0 0 402.516 4.311 20 5 HIBDRN COc1ccc(OCCSCc2nc(Cc3cccc(F)c3)no2)c([N+](=O)[O-])c1 ZINC000485581847 900847682 /nfs/dbraw/zinc/84/76/82/900847682.db2.gz RTKIFHMIYHIMDK-UHFFFAOYSA-N 0 0 419.434 4.029 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(-n2cccn2)c(F)c1 ZINC000485583115 900847690 /nfs/dbraw/zinc/84/76/90/900847690.db2.gz VCKOFTMPFNNSDU-UHFFFAOYSA-N 0 0 423.326 4.260 20 5 HIBDRN COc1ccc(C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)cc1 ZINC000485604948 900864377 /nfs/dbraw/zinc/86/43/77/900864377.db2.gz JXJIMTQCORELFV-OAHLLOKOSA-N 0 0 420.412 4.300 20 5 HIBDRN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000485614359 900872669 /nfs/dbraw/zinc/87/26/69/900872669.db2.gz KUXNHFYLNQXKFT-ZDUSSCGKSA-N 0 0 417.181 4.433 20 5 HIBDRN O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485625464 900881014 /nfs/dbraw/zinc/88/10/14/900881014.db2.gz BHRZNSHJEKRLCQ-UHFFFAOYSA-N 0 0 422.384 4.254 20 5 HIBDRN O=C(Nc1ncc(C(F)(F)F)s1)c1sc(Br)cc1[N+](=O)[O-] ZINC000485679944 900931322 /nfs/dbraw/zinc/93/13/22/900931322.db2.gz RLIZFNBDLKKVAM-UHFFFAOYSA-N 0 0 402.173 4.146 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000485710178 900958860 /nfs/dbraw/zinc/95/88/60/900958860.db2.gz MIPJPDLUVQFYBT-UHFFFAOYSA-N 0 0 415.371 4.352 20 5 HIBDRN Cc1ccc2[nH]c(CNC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])nc2c1 ZINC000485727549 900978969 /nfs/dbraw/zinc/97/89/69/900978969.db2.gz WQEVLGUJHMXUDD-UHFFFAOYSA-N 0 0 416.437 4.289 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485728647 900980723 /nfs/dbraw/zinc/98/07/23/900980723.db2.gz AKLCLLDVTZYMPB-UHFFFAOYSA-N 0 0 402.863 4.467 20 5 HIBDRN CSc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1[N+](=O)[O-] ZINC000485734282 900987457 /nfs/dbraw/zinc/98/74/57/900987457.db2.gz VBCOMNPXFMILRX-UHFFFAOYSA-N 0 0 407.879 4.059 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)c1ccnc(-c3ccccc3)c1[N+](=O)[O-])C[C@@H](C)O2 ZINC000485740001 900994868 /nfs/dbraw/zinc/99/48/68/900994868.db2.gz WBKXZKWDTQAJCC-CQSZACIVSA-N 0 0 405.410 4.093 20 5 HIBDRN O=C(NCCc1nc2ccccc2[nH]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485751581 901007192 /nfs/dbraw/zinc/00/71/92/901007192.db2.gz UWCAWDWGLUSQAK-UHFFFAOYSA-N 0 0 416.437 4.023 20 5 HIBDRN CSc1cccc(C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)c1[N+](=O)[O-] ZINC000485756918 901013307 /nfs/dbraw/zinc/01/33/07/901013307.db2.gz MEXNGGXBRFBTSG-UHFFFAOYSA-N 0 0 414.483 4.287 20 5 HIBDRN O=C(NCCc1c(F)cccc1F)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485759249 901016102 /nfs/dbraw/zinc/01/61/02/901016102.db2.gz XMYYMYJZCVXLRA-UHFFFAOYSA-N 0 0 412.392 4.425 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1[N+](=O)[O-] ZINC000485761477 901019063 /nfs/dbraw/zinc/01/90/63/901019063.db2.gz XJNGLADKYICCMU-GFCCVEGCSA-N 0 0 414.487 4.092 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)c1[N+](=O)[O-] ZINC000485767132 901022844 /nfs/dbraw/zinc/02/28/44/901022844.db2.gz OKCXOGHZKWEILU-UHFFFAOYSA-N 0 0 402.457 4.137 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cc([N+](=O)[O-])c1C ZINC000485766150 901023189 /nfs/dbraw/zinc/02/31/89/901023189.db2.gz IRIJBRYZWAXEJG-UHFFFAOYSA-N 0 0 412.377 4.231 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000485777139 901033409 /nfs/dbraw/zinc/03/34/09/901033409.db2.gz ZEYOKRSUSNATAE-GFCCVEGCSA-N 0 0 409.364 4.080 20 5 HIBDRN Cc1c(C(=O)Nc2cccc(-c3cccs3)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000505856592 914502959 /nfs/dbraw/zinc/50/29/59/914502959.db2.gz WUOZZSGUSLJODA-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CC(C)(C)c1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)n2)cc1 ZINC000485856795 901098891 /nfs/dbraw/zinc/09/88/91/901098891.db2.gz FNEIVYXAWHENFU-UHFFFAOYSA-N 0 0 401.444 4.013 20 5 HIBDRN Cc1csc([C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C2CC2)n1 ZINC000485879838 901115655 /nfs/dbraw/zinc/11/56/55/901115655.db2.gz CHDGLQYZCUVVDM-SNVBAGLBSA-N 0 0 402.295 4.065 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCSc2ncccc21 ZINC000485918584 901143433 /nfs/dbraw/zinc/14/34/33/901143433.db2.gz GJULCYJOMGIYHZ-UHFFFAOYSA-N 0 0 407.451 4.321 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000505864268 914510710 /nfs/dbraw/zinc/51/07/10/914510710.db2.gz KGQFGBOYLOTRTO-GUTXKFCHSA-N 0 0 416.396 4.072 20 5 HIBDRN CC[C@@H](CC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000485949209 901170081 /nfs/dbraw/zinc/17/00/81/901170081.db2.gz FONJAVUYMJVKEC-AWEZNQCLSA-N 0 0 400.431 4.221 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c(C)c([N+](=O)[O-])c1 ZINC000485951301 901170906 /nfs/dbraw/zinc/17/09/06/901170906.db2.gz ICJLAPLRDMALNQ-UHFFFAOYSA-N 0 0 400.284 4.100 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000485962066 901179162 /nfs/dbraw/zinc/17/91/62/901179162.db2.gz BKTOBVAGMUGFTP-VXGBXAGGSA-N 0 0 406.797 4.225 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)nc2C)c(C)c([N+](=O)[O-])c1 ZINC000485972072 901189468 /nfs/dbraw/zinc/18/94/68/901189468.db2.gz FSUCKQJKOOGQLJ-UHFFFAOYSA-N 0 0 405.410 4.313 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cnc(OCC(C)C)c(Cl)c2)c(C)c([N+](=O)[O-])c1 ZINC000485977192 901194773 /nfs/dbraw/zinc/19/47/73/901194773.db2.gz SFEDOLVBWHTLKW-UHFFFAOYSA-N 0 0 421.837 4.025 20 5 HIBDRN Cc1oc(C(C)C)cc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000505868393 914515894 /nfs/dbraw/zinc/51/58/94/914515894.db2.gz NKYRBDRDKPNOAS-KRWDZBQOSA-N 0 0 402.447 4.432 20 5 HIBDRN CC(C)c1nc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1-c1ccccc1F ZINC000486017086 901226248 /nfs/dbraw/zinc/22/62/48/901226248.db2.gz LWQNHINWKQULEI-UHFFFAOYSA-N 0 0 423.448 4.243 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000505869940 914517824 /nfs/dbraw/zinc/51/78/24/914517824.db2.gz QZRQFLHAIODBPZ-UHFFFAOYSA-N 0 0 416.434 4.214 20 5 HIBDRN O=[N+]([O-])c1ccn(C2CCN(c3nc(-c4cccs4)nc4ccccc43)CC2)n1 ZINC000486041617 901243191 /nfs/dbraw/zinc/24/31/91/901243191.db2.gz UTCBOWLPYCIOTP-UHFFFAOYSA-N 0 0 406.471 4.305 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000486084837 901274254 /nfs/dbraw/zinc/27/42/54/901274254.db2.gz XUQSOJBYZKOYJP-UHFFFAOYSA-N 0 0 401.196 4.307 20 5 HIBDRN CN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000486119883 901306518 /nfs/dbraw/zinc/30/65/18/901306518.db2.gz VVPSTJDSIKYWAA-UHFFFAOYSA-N 0 0 416.437 4.337 20 5 HIBDRN Cn1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nc2cccc(Cl)c21 ZINC000486137297 901325132 /nfs/dbraw/zinc/32/51/32/901325132.db2.gz MBXLAGHHBDRQHZ-UHFFFAOYSA-N 0 0 415.656 4.211 20 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/nfs/dbraw/zinc/43/42/01/901434201.db2.gz OIEPOBLURFSILE-UHFFFAOYSA-N 0 0 411.487 4.447 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1[N+](=O)[O-] ZINC000486254196 901438086 /nfs/dbraw/zinc/43/80/86/901438086.db2.gz SGGOPUQKPSBYHN-UHFFFAOYSA-N 0 0 413.499 4.441 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1Cl ZINC000486260843 901443676 /nfs/dbraw/zinc/44/36/76/901443676.db2.gz RAZQHQOWXPMEGN-UHFFFAOYSA-N 0 0 407.879 4.362 20 5 HIBDRN Cc1nnc(Sc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])c(C)c2)s1 ZINC000505892974 914536012 /nfs/dbraw/zinc/53/60/12/914536012.db2.gz LEHXAFIKMVLNTF-UHFFFAOYSA-N 0 0 416.484 4.232 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(C(=O)C3CCC3)cc2)cc1[N+](=O)[O-] ZINC000486305155 901485790 /nfs/dbraw/zinc/48/57/90/901485790.db2.gz PRUXYVLJLUTTBO-UHFFFAOYSA-N 0 0 414.483 4.458 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cccc3ccccc32)cc1OC ZINC000486309446 901488736 /nfs/dbraw/zinc/48/87/36/901488736.db2.gz RKPBFIWSXRVIDC-UHFFFAOYSA-N 0 0 424.453 4.054 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1ccccn1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486316853 901494918 /nfs/dbraw/zinc/49/49/18/901494918.db2.gz FOGSQHWDFLOHMQ-OAHLLOKOSA-N 0 0 418.272 4.333 20 5 HIBDRN COc1ccc(CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])c(Cl)c1 ZINC000486342288 901516044 /nfs/dbraw/zinc/51/60/44/901516044.db2.gz FEEPEWKDLLGAHV-UHFFFAOYSA-N 0 0 419.684 4.053 20 5 HIBDRN O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486350536 901521179 /nfs/dbraw/zinc/52/11/79/901521179.db2.gz UQVYMMDNHWBTDF-SNVBAGLBSA-N 0 0 403.298 4.031 20 5 HIBDRN COCCOc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 ZINC000486383168 901547771 /nfs/dbraw/zinc/54/77/71/901547771.db2.gz WDNFYSYJCPKSIQ-UHFFFAOYSA-N 0 0 422.437 4.451 20 5 HIBDRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486414850 901573174 /nfs/dbraw/zinc/57/31/74/901573174.db2.gz GHQVTDFRIVNTGK-SFHVURJKSA-N 0 0 409.895 4.343 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000486431987 901591264 /nfs/dbraw/zinc/59/12/64/901591264.db2.gz DPXGKAIKOZEZMX-AUUYWEPGSA-N 0 0 405.857 4.119 20 5 HIBDRN Cc1sc(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)nc1-c1ccccc1 ZINC000486439040 901597409 /nfs/dbraw/zinc/59/74/09/901597409.db2.gz WZDQEIWNHYUXLU-UHFFFAOYSA-N 0 0 417.437 4.206 20 5 HIBDRN O=C(c1ccc(Br)c2c1OCCC2)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000486444218 901603745 /nfs/dbraw/zinc/60/37/45/901603745.db2.gz JEPBXNGKBRBPKT-UHFFFAOYSA-N 0 0 417.259 4.275 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000486473447 901634847 /nfs/dbraw/zinc/63/48/47/901634847.db2.gz VSCSCWZXFINIBT-VIFPVBQESA-N 0 0 402.398 4.381 20 5 HIBDRN CC(C)([C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000486555617 901701144 /nfs/dbraw/zinc/70/11/44/901701144.db2.gz JLQIMNQEYXRKRB-QGZVFWFLSA-N 0 0 409.458 4.280 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1sccc1Br ZINC000486576230 901719215 /nfs/dbraw/zinc/71/92/15/901719215.db2.gz ARZZLPMATWPGIN-UHFFFAOYSA-N 0 0 401.307 4.461 20 5 HIBDRN O=C(Nc1cccc(CCCO)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486582477 901723880 /nfs/dbraw/zinc/72/38/80/901723880.db2.gz BPCGJCPXHWJLAM-UHFFFAOYSA-N 0 0 406.438 4.351 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3ccc(Cn4cccn4)cc3)cc2[N+](=O)[O-])CC1 ZINC000486625998 901760232 /nfs/dbraw/zinc/76/02/32/901760232.db2.gz JZHYZPGCMISZEN-UHFFFAOYSA-N 0 0 419.485 4.328 20 5 HIBDRN CCO[C@@H](C)c1nc(CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cs1 ZINC000486702393 901803004 /nfs/dbraw/zinc/80/30/04/901803004.db2.gz NOOYHESBPACYFF-JTQLQIEISA-N 0 0 417.409 4.027 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(OCC(F)(F)F)c1 ZINC000486718528 901811369 /nfs/dbraw/zinc/81/13/69/901811369.db2.gz UPRQOWWRXMRLKJ-UHFFFAOYSA-N 0 0 422.281 4.485 20 5 HIBDRN CN(C)[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000486721697 901812817 /nfs/dbraw/zinc/81/28/17/901812817.db2.gz HJJCKRHSXROHCS-MRXNPFEDSA-N 0 0 415.799 4.186 20 5 HIBDRN Cc1oc(-c2ccccc2)nc1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486729132 901818302 /nfs/dbraw/zinc/81/83/02/901818302.db2.gz KCASJAPUQIOYQX-UHFFFAOYSA-N 0 0 419.359 4.436 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000486743334 901825387 /nfs/dbraw/zinc/82/53/87/901825387.db2.gz RYGAUMRDGXRVCX-UHFFFAOYSA-N 0 0 412.414 4.495 20 5 HIBDRN COc1cc(-c2noc(CSCc3ccccc3[N+](=O)[O-])n2)cc(OC)c1OC ZINC000486743245 901825622 /nfs/dbraw/zinc/82/56/22/901825622.db2.gz FNUBVPBDKOALQO-UHFFFAOYSA-N 0 0 417.443 4.104 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000486790442 901856581 /nfs/dbraw/zinc/85/65/81/901856581.db2.gz XVMAKFIHXKGCFJ-UHFFFAOYSA-N 0 0 400.410 4.087 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(C)C)nc1 ZINC000486847701 901893858 /nfs/dbraw/zinc/89/38/58/901893858.db2.gz XLXDFGZYYHBUEE-UHFFFAOYSA-N 0 0 405.476 4.015 20 5 HIBDRN O=C(Nc1nnc(/C=C\c2ccco2)s1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486850526 901896677 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0 400.435 4.090 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCCCC[C@H]2c2ccco2)c(C)c([N+](=O)[O-])c1 ZINC000486873648 901920094 /nfs/dbraw/zinc/92/00/94/901920094.db2.gz TWWVHEPLENFGPQ-INIZCTEOSA-N 0 0 401.419 4.432 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000486876243 901920774 /nfs/dbraw/zinc/92/07/74/901920774.db2.gz YSMWGBJHHBUYKV-GOSISDBHSA-N 0 0 411.458 4.319 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c(C)c([N+](=O)[O-])c1 ZINC000486880477 901927127 /nfs/dbraw/zinc/92/71/27/901927127.db2.gz NHWKWELQVCYVSF-CYBMUJFWSA-N 0 0 424.413 4.228 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCCCC[C@H]2c2ccncc2)c(C)c([N+](=O)[O-])c1 ZINC000486896440 901941204 /nfs/dbraw/zinc/94/12/04/901941204.db2.gz KOKRYIKQFKXQHB-SFHVURJKSA-N 0 0 412.446 4.234 20 5 HIBDRN COC(=O)c1cc(NC(=O)NCCOc2ccccc2C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000486896688 901941337 /nfs/dbraw/zinc/94/13/37/901941337.db2.gz RQKKPWZCCSLERK-UHFFFAOYSA-N 0 0 415.446 4.014 20 5 HIBDRN O=C(c1ccc(Cl)cc1)C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486946373 901982441 /nfs/dbraw/zinc/98/24/41/901982441.db2.gz ZYPUGXPERCIECE-UHFFFAOYSA-N 0 0 412.833 4.398 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000486957189 901989478 /nfs/dbraw/zinc/98/94/78/901989478.db2.gz OQDHHBWFKIYKIO-CQSZACIVSA-N 0 0 417.428 4.011 20 5 HIBDRN CC(C)(c1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1)C(F)(F)F ZINC000487000396 902008295 /nfs/dbraw/zinc/00/82/95/902008295.db2.gz OQFMCKYQRAYHAJ-UHFFFAOYSA-N 0 0 410.396 4.109 20 5 HIBDRN Cc1ccc2nc(C3CC3)cc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2c1 ZINC000487007401 902011567 /nfs/dbraw/zinc/01/15/67/902011567.db2.gz QLQIPARKRJNWHW-UHFFFAOYSA-N 0 0 405.458 4.003 20 5 HIBDRN C[C@H](CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)c1cccc(F)c1 ZINC000487014206 902014245 /nfs/dbraw/zinc/01/42/45/902014245.db2.gz NRZWAQUWSKVVOT-LLVKDONJSA-N 0 0 412.339 4.278 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000487039120 902033566 /nfs/dbraw/zinc/03/35/66/902033566.db2.gz TWBKZBVOUZQHHK-RBUKOAKNSA-N 0 0 421.856 4.149 20 5 HIBDRN O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000487061232 902041767 /nfs/dbraw/zinc/04/17/67/902041767.db2.gz LPUNNVXIFFVPER-UHFFFAOYSA-N 0 0 422.407 4.096 20 5 HIBDRN CN(c1ccccc1)c1ccccc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487074918 902048010 /nfs/dbraw/zinc/04/80/10/902048010.db2.gz HDCRUOZOFNBRBA-UHFFFAOYSA-N 0 0 405.458 4.037 20 5 HIBDRN O=C(Nc1ccc(Oc2ccccc2F)nc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000487105289 902059745 /nfs/dbraw/zinc/05/97/45/902059745.db2.gz UEZMSSAZJPILOB-UHFFFAOYSA-N 0 0 419.372 4.359 20 5 HIBDRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000487137431 902069651 /nfs/dbraw/zinc/06/96/51/902069651.db2.gz MMSACEWJSFXUSZ-LBPRGKRZSA-N 0 0 413.293 4.014 20 5 HIBDRN CC(C)(C)Oc1cc(N2CCC(C(=O)Nc3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000487141047 902071403 /nfs/dbraw/zinc/07/14/03/902071403.db2.gz HSBHTTCMSPAHDK-UHFFFAOYSA-N 0 0 413.474 4.333 20 5 HIBDRN O=C(Nc1c(F)cc(F)cc1Br)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000487238144 902109180 /nfs/dbraw/zinc/10/91/80/902109180.db2.gz ZQMKQQJHUSIRIQ-UHFFFAOYSA-N 0 0 412.190 4.226 20 5 HIBDRN CSc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1[N+](=O)[O-] ZINC000487353108 902158085 /nfs/dbraw/zinc/15/80/85/902158085.db2.gz JNVFOEFSDNPEFG-UHFFFAOYSA-N 0 0 404.513 4.082 20 5 HIBDRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000487434964 902209293 /nfs/dbraw/zinc/20/92/93/902209293.db2.gz DGLNVZSVPUHYFM-AWEZNQCLSA-N 0 0 419.275 4.100 20 5 HIBDRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000487434969 902209549 /nfs/dbraw/zinc/20/95/49/902209549.db2.gz DGLNVZSVPUHYFM-CQSZACIVSA-N 0 0 419.275 4.100 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCc2c(Cl)ccc(F)c21 ZINC000487477872 902221915 /nfs/dbraw/zinc/22/19/15/902221915.db2.gz OFKDEQZUAMXRQJ-UHFFFAOYSA-N 0 0 400.797 4.166 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCc3ccc(Br)cc32)cc1SC ZINC000487511636 902229018 /nfs/dbraw/zinc/22/90/18/902229018.db2.gz FGJIJHDPCXELIO-UHFFFAOYSA-N 0 0 423.288 4.291 20 5 HIBDRN COc1ccc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3F)s2)cc1[N+](=O)[O-] ZINC000487641736 902269191 /nfs/dbraw/zinc/26/91/91/902269191.db2.gz XWXXSNIZWBRFGS-UHFFFAOYSA-N 0 0 419.409 4.490 20 5 HIBDRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000487645838 902271144 /nfs/dbraw/zinc/27/11/44/902271144.db2.gz OOMXUWLAIDJCTF-UHFFFAOYSA-N 0 0 413.764 4.450 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NC[C@@H]2SCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000487652929 902274832 /nfs/dbraw/zinc/27/48/32/902274832.db2.gz AQCRFVPXFAMEHF-IBGZPJMESA-N 0 0 408.483 4.002 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)[C@H](C)CO2)c1 ZINC000487654462 902276148 /nfs/dbraw/zinc/27/61/48/902276148.db2.gz RLWFEUUWEVZPHS-DYVFJYSZSA-N 0 0 406.280 4.336 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(C3CCC3)cc2)cc1[N+](=O)[O-] ZINC000487659891 902280130 /nfs/dbraw/zinc/28/01/30/902280130.db2.gz CMLGQJQTJLVCQX-UHFFFAOYSA-N 0 0 409.471 4.394 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CSc2ccc(Br)cc21 ZINC000487668288 902283710 /nfs/dbraw/zinc/28/37/10/902283710.db2.gz QATHXCYYNWRLJD-ZDUSSCGKSA-N 0 0 423.288 4.089 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000487717812 902313901 /nfs/dbraw/zinc/31/39/01/902313901.db2.gz UVTCTRKMWSSLNJ-LBPRGKRZSA-N 0 0 421.400 4.111 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Br)cc1F ZINC000487731051 902323929 /nfs/dbraw/zinc/32/39/29/902323929.db2.gz WIMLTNLKUKARBV-UHFFFAOYSA-N 0 0 419.153 4.374 20 5 HIBDRN Cn1cc([C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C(F)(F)F)cn1 ZINC000487734775 902327565 /nfs/dbraw/zinc/32/75/65/902327565.db2.gz XKNHWQDNDFNJJH-KRWDZBQOSA-N 0 0 419.363 4.105 20 5 HIBDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487743141 902335118 /nfs/dbraw/zinc/33/51/18/902335118.db2.gz OCYFPUAGUZTCJC-HNNXBMFYSA-N 0 0 408.357 4.006 20 5 HIBDRN CC(C)(NC(=O)NCc1ccnc(OCc2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000487834317 902397498 /nfs/dbraw/zinc/39/74/98/902397498.db2.gz IOHBSCVXUZJSLN-UHFFFAOYSA-N 0 0 420.469 4.303 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CCNC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cc2)n1 ZINC000487839516 902400115 /nfs/dbraw/zinc/40/01/15/902400115.db2.gz POEGLGSERWEMLQ-UHFFFAOYSA-N 0 0 421.501 4.174 20 5 HIBDRN Cc1ccc(OCc2nc(Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)cs2)cc1 ZINC000487874161 902420000 /nfs/dbraw/zinc/42/00/00/902420000.db2.gz KTMHZDYHESFEEW-UHFFFAOYSA-N 0 0 407.451 4.302 20 5 HIBDRN CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)[C@@H]2CCCO[C@H]21 ZINC000487941221 902472475 /nfs/dbraw/zinc/47/24/75/902472475.db2.gz FCCFUVJHLIEGBY-IOMROCGXSA-N 0 0 409.486 4.140 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] ZINC000487984524 902505823 /nfs/dbraw/zinc/50/58/23/902505823.db2.gz ZAWZAVNVZZESGR-LLVKDONJSA-N 0 0 420.347 4.463 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000488037789 902556302 /nfs/dbraw/zinc/55/63/02/902556302.db2.gz GYXIJEPFYJGNTA-MRXNPFEDSA-N 0 0 415.453 4.187 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000488055417 902569265 /nfs/dbraw/zinc/56/92/65/902569265.db2.gz ITUKLWZEWMQBGS-HNNXBMFYSA-N 0 0 423.448 4.320 20 5 HIBDRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488058827 902572606 /nfs/dbraw/zinc/57/26/06/902572606.db2.gz RJFCPYKQLKSXDQ-PLMTUMEDSA-N 0 0 403.523 4.012 20 5 HIBDRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488058825 902573380 /nfs/dbraw/zinc/57/33/80/902573380.db2.gz RJFCPYKQLKSXDQ-HGHGUNKESA-N 0 0 403.523 4.012 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2cccc(CSc3nccn3C)c2)cc1[N+](=O)[O-] ZINC000488068345 902580568 /nfs/dbraw/zinc/58/05/68/902580568.db2.gz MCHJKHQOAQDXJX-HNNXBMFYSA-N 0 0 410.499 4.420 20 5 HIBDRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000488085164 902591580 /nfs/dbraw/zinc/59/15/80/902591580.db2.gz CWKGYYQPPVXFPT-IEBWSBKVSA-N 0 0 424.501 4.333 20 5 HIBDRN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000488112091 902612891 /nfs/dbraw/zinc/61/28/91/902612891.db2.gz PGGAPJPGKREZLK-LBPRGKRZSA-N 0 0 424.682 4.019 20 5 HIBDRN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000488112090 902613683 /nfs/dbraw/zinc/61/36/83/902613683.db2.gz PGGAPJPGKREZLK-GFCCVEGCSA-N 0 0 424.682 4.019 20 5 HIBDRN Cc1nc(SCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]c1Cc1ccccc1 ZINC000488116193 902616922 /nfs/dbraw/zinc/61/69/22/902616922.db2.gz WZGVLSFFVMXGIN-OAHLLOKOSA-N 0 0 424.526 4.495 20 5 HIBDRN O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488150859 902644928 /nfs/dbraw/zinc/64/49/28/902644928.db2.gz QBOHPQNMKXHJCE-UHFFFAOYSA-N 0 0 407.354 4.278 20 5 HIBDRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000488154226 902648969 /nfs/dbraw/zinc/64/89/69/902648969.db2.gz DZYMQEPLMTUZFF-QGZVFWFLSA-N 0 0 419.890 4.019 20 5 HIBDRN CCOc1cc2c(cc1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000488174358 902664788 /nfs/dbraw/zinc/66/47/88/902664788.db2.gz GZSAHAKRXLBFNN-CQSZACIVSA-N 0 0 413.474 4.051 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1CNc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000488204074 902686133 /nfs/dbraw/zinc/68/61/33/902686133.db2.gz VGQRQPVCDQFDMW-UHFFFAOYSA-N 0 0 405.245 4.367 20 5 HIBDRN CC(C)n1cc2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2n1 ZINC000488219149 902699810 /nfs/dbraw/zinc/69/98/10/902699810.db2.gz LVGNYDBKXVBACA-UHFFFAOYSA-N 0 0 404.430 4.178 20 5 HIBDRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000488238054 902713769 /nfs/dbraw/zinc/71/37/69/902713769.db2.gz MFODEVANJCNEQY-QGZVFWFLSA-N 0 0 419.890 4.019 20 5 HIBDRN COc1c(F)cc(S(=O)(=O)Nc2ccccc2CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000488257310 902730499 /nfs/dbraw/zinc/73/04/99/902730499.db2.gz BQXRXIFKMPKSGC-UHFFFAOYSA-N 0 0 422.356 4.038 20 5 HIBDRN Cc1cccc(OCCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000505988225 914656235 /nfs/dbraw/zinc/65/62/35/914656235.db2.gz YHAFSMPGEICMFL-QGZVFWFLSA-N 0 0 420.469 4.280 20 5 HIBDRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc([N+](=O)[O-])o2)cc1OC ZINC000488340529 902775279 /nfs/dbraw/zinc/77/52/79/902775279.db2.gz RHCQOURYJKDGHA-UHFFFAOYSA-N 0 0 416.455 4.152 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1csc(-c2ccco2)n1 ZINC000488372444 902785094 /nfs/dbraw/zinc/78/50/94/902785094.db2.gz PCTBASCAHQLPSZ-UHFFFAOYSA-N 0 0 406.851 4.007 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2(Cc3ccc(Cl)cc3)CCC2)s1 ZINC000488518506 902866220 /nfs/dbraw/zinc/86/62/20/902866220.db2.gz OMNGLBRYCAIKOT-UHFFFAOYSA-N 0 0 400.909 4.291 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc(F)cc1OC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000488676259 902937748 /nfs/dbraw/zinc/93/77/48/902937748.db2.gz YJSUJGHBBOJPFX-ZDUSSCGKSA-N 0 0 403.410 4.174 20 5 HIBDRN Cc1sc(NC(=O)c2cc(C)nc(C(F)(F)F)n2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000488677139 902939302 /nfs/dbraw/zinc/93/93/02/902939302.db2.gz QPOWNMQWXBWTMQ-UHFFFAOYSA-N 0 0 423.376 4.396 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccc(Br)c(F)c2)c2ccncc21 ZINC000488740476 902976118 /nfs/dbraw/zinc/97/61/18/902976118.db2.gz YCBZCXMAQVCSGP-INIZCTEOSA-N 0 0 406.211 4.190 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[C@@H]1OCCc2sccc21 ZINC000488752204 902979780 /nfs/dbraw/zinc/97/97/80/902979780.db2.gz XPMWIKGPYBORSN-YJYMSZOUSA-N 0 0 401.488 4.007 20 5 HIBDRN CC(C)Oc1ccc(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000488758282 902981617 /nfs/dbraw/zinc/98/16/17/902981617.db2.gz BBSWOKPCYAFENO-UHFFFAOYSA-N 0 0 401.644 4.008 20 5 HIBDRN CS(=O)(=O)c1ccc(N2CC[C@@H](Sc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000488774253 902989632 /nfs/dbraw/zinc/98/96/32/902989632.db2.gz XTKIKRJRGSVKDU-CQSZACIVSA-N 0 0 412.920 4.023 20 5 HIBDRN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000488788813 903000753 /nfs/dbraw/zinc/00/07/53/903000753.db2.gz YTTUTDADQXXXID-SNVBAGLBSA-N 0 0 407.858 4.107 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3sccc3C)o2)c([N+](=O)[O-])c1 ZINC000488817070 903021336 /nfs/dbraw/zinc/02/13/36/903021336.db2.gz DLSHJKFVFUIXHE-SNVBAGLBSA-N 0 0 420.472 4.143 20 5 HIBDRN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000488874075 903051663 /nfs/dbraw/zinc/05/16/63/903051663.db2.gz UNLOWYOWJQYZPT-UHFFFAOYSA-N 0 0 413.455 4.162 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000488895717 903064317 /nfs/dbraw/zinc/06/43/17/903064317.db2.gz ZVDKWEWCOYFSPP-HNNXBMFYSA-N 0 0 421.563 4.110 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 ZINC000488905016 903070247 /nfs/dbraw/zinc/07/02/47/903070247.db2.gz VYHZKXHXGKCOLZ-CQSZACIVSA-N 0 0 411.487 4.301 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)[nH]n1 ZINC000488952998 903094916 /nfs/dbraw/zinc/09/49/16/903094916.db2.gz XUICGUZWBKMSGU-CQSZACIVSA-N 0 0 410.499 4.447 20 5 HIBDRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000489032724 903139765 /nfs/dbraw/zinc/13/97/65/903139765.db2.gz HLAHCDOWPMOXKE-AWEZNQCLSA-N 0 0 401.438 4.230 20 5 HIBDRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000489073193 903177376 /nfs/dbraw/zinc/17/73/76/903177376.db2.gz PLOZVCPZPSIDBC-HNNXBMFYSA-N 0 0 413.474 4.100 20 5 HIBDRN Cn1c2ccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)cc2nc1C(C)(C)C ZINC000489125799 903214469 /nfs/dbraw/zinc/21/44/69/903214469.db2.gz HMVPYARQXLXLSS-UHFFFAOYSA-N 0 0 418.457 4.217 20 5 HIBDRN CN(Cc1cc(Br)cs1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489129014 903218743 /nfs/dbraw/zinc/21/87/43/903218743.db2.gz PLHKGEXYBYHKOB-UHFFFAOYSA-N 0 0 421.219 4.292 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000489131019 903220216 /nfs/dbraw/zinc/22/02/16/903220216.db2.gz CERYKEHTNOSXNW-LBPRGKRZSA-N 0 0 411.380 4.491 20 5 HIBDRN O=C(NCc1cccc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489133033 903222488 /nfs/dbraw/zinc/22/24/88/903222488.db2.gz XUHAHLXMNJKSSU-UHFFFAOYSA-N 0 0 420.290 4.067 20 5 HIBDRN COC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 ZINC000489194834 903254313 /nfs/dbraw/zinc/25/43/13/903254313.db2.gz IFKVUBAVZNCGMB-UHFFFAOYSA-N 0 0 402.472 4.311 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[N+](=O)[O-] ZINC000489273138 903300030 /nfs/dbraw/zinc/30/00/30/903300030.db2.gz XVTIRXDBGAZNPC-SPLOXXLWSA-N 0 0 411.458 4.186 20 5 HIBDRN Cc1cc(NC[C@H]2CCCO[C@@H]2c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489287515 903310460 /nfs/dbraw/zinc/31/04/60/903310460.db2.gz KZUBKHXGPJKXSW-DENIHFKCSA-N 0 0 404.470 4.362 20 5 HIBDRN CSC[C@@H]1CCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000489299071 903317898 /nfs/dbraw/zinc/31/78/98/903317898.db2.gz WCOSVRSYDJOSNB-ZBFHGGJFSA-N 0 0 400.504 4.131 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000489327775 903332759 /nfs/dbraw/zinc/33/27/59/903332759.db2.gz MCMSBZNJQSVQGD-UHFFFAOYSA-N 0 0 423.376 4.169 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000489368988 903347874 /nfs/dbraw/zinc/34/78/74/903347874.db2.gz ZXKZWUPFGWZGCG-UHFFFAOYSA-N 0 0 413.499 4.342 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000489374521 903351861 /nfs/dbraw/zinc/35/18/61/903351861.db2.gz TXMVJILSWYBINE-KRWDZBQOSA-N 0 0 424.501 4.090 20 5 HIBDRN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489389897 903360554 /nfs/dbraw/zinc/36/05/54/903360554.db2.gz OZPNQPLWUDAGPW-UHFFFAOYSA-N 0 0 411.487 4.221 20 5 HIBDRN Cc1ccc([C@@H](OC[C@@H](O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)c2ccccc2)cc1 ZINC000489418603 903375548 /nfs/dbraw/zinc/37/55/48/903375548.db2.gz NMRHQGCGIUXXME-REWPJTCUSA-N 0 0 407.470 4.144 20 5 HIBDRN CCn1c(SCCOc2ccccc2OC)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489450981 903390101 /nfs/dbraw/zinc/39/01/01/903390101.db2.gz QYCOIFJDZAAYLA-UHFFFAOYSA-N 0 0 400.460 4.053 20 5 HIBDRN CSc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCCO4)cc1[N+](=O)[O-] ZINC000489460472 903397615 /nfs/dbraw/zinc/39/76/15/903397615.db2.gz REJNXZQKSCZHCN-UHFFFAOYSA-N 0 0 417.468 4.340 20 5 HIBDRN CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489462378 903398688 /nfs/dbraw/zinc/39/86/88/903398688.db2.gz XUALOTPQNPZOGD-GFCCVEGCSA-N 0 0 422.470 4.375 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)cc1[N+](=O)[O-] ZINC000489494749 903421594 /nfs/dbraw/zinc/42/15/94/903421594.db2.gz JWEXZWREWWQSPM-CHWSQXEVSA-N 0 0 413.409 4.214 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000489564540 903467923 /nfs/dbraw/zinc/46/79/23/903467923.db2.gz JPDYVFRNVPNQSH-KRWDZBQOSA-N 0 0 420.412 4.060 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000489595618 903486727 /nfs/dbraw/zinc/48/67/27/903486727.db2.gz KKZQVINHGZHSMS-UHFFFAOYSA-N 0 0 415.515 4.358 20 5 HIBDRN C[C@H]1CN(c2ccccc2NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000489701843 903547742 /nfs/dbraw/zinc/54/77/42/903547742.db2.gz AWRWQOVGMVDSEK-IRXDYDNUSA-N 0 0 412.490 4.039 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000489812592 903609098 /nfs/dbraw/zinc/60/90/98/903609098.db2.gz MZPXINUYVXPSEK-GFCCVEGCSA-N 0 0 422.890 4.394 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1[N+](=O)[O-] ZINC000489874673 903645910 /nfs/dbraw/zinc/64/59/10/903645910.db2.gz MAQSVSJODQHUKG-KRWDZBQOSA-N 0 0 411.506 4.239 20 5 HIBDRN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000489898677 903658228 /nfs/dbraw/zinc/65/82/28/903658228.db2.gz INUPAWXIQRGXDU-CSUULGGQSA-N 0 0 412.577 4.153 20 5 HIBDRN Cc1ccc([C@@H]2CSCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000489898996 903658312 /nfs/dbraw/zinc/65/83/12/903658312.db2.gz IXZWYGKSWBSGJC-FQEVSTJZSA-N 0 0 408.483 4.019 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000489913334 903670742 /nfs/dbraw/zinc/67/07/42/903670742.db2.gz HOOHJFQJPUTWEK-NRFANRHFSA-N 0 0 420.469 4.322 20 5 HIBDRN O=C(Nc1nnc(/C=C\c2ccco2)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489965244 903699644 /nfs/dbraw/zinc/69/96/44/903699644.db2.gz LZMYVIZJKWLLDY-XQRVVYSFSA-N 0 0 408.342 4.063 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000489977628 903709754 /nfs/dbraw/zinc/70/97/54/903709754.db2.gz DIEGIRHCCRSYKA-QWHCGFSZSA-N 0 0 420.453 4.432 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000489985660 903712524 /nfs/dbraw/zinc/71/25/24/903712524.db2.gz XOVZSMRDCUZUJA-IBGZPJMESA-N 0 0 418.540 4.094 20 5 HIBDRN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000490044660 903739664 /nfs/dbraw/zinc/73/96/64/903739664.db2.gz MKZYFYSFJMZQQI-ZETCQYMHSA-N 0 0 408.789 4.013 20 5 HIBDRN Cc1cc(Br)c2c(c1)CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)CC2 ZINC000490057348 903747704 /nfs/dbraw/zinc/74/77/04/903747704.db2.gz CWEDKRGKFCCKOW-UHFFFAOYSA-N 0 0 421.316 4.343 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2C(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000490145985 903791219 /nfs/dbraw/zinc/79/12/19/903791219.db2.gz NMHDRDPIANFNNH-HSZRJFAPSA-N 0 0 423.513 4.322 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000490168639 903806570 /nfs/dbraw/zinc/80/65/70/903806570.db2.gz YDNSRUDGPJGUSZ-UHFFFAOYSA-N 0 0 419.890 4.298 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000490194960 903820740 /nfs/dbraw/zinc/82/07/40/903820740.db2.gz QDCHNZYVNPBEGX-IBGZPJMESA-N 0 0 418.457 4.352 20 5 HIBDRN COc1cc(C(=O)Nc2cnn(CCC(C)C)c2C(C)C)c([N+](=O)[O-])cc1OC ZINC000490203612 903826652 /nfs/dbraw/zinc/82/66/52/903826652.db2.gz MSZNYERYNYWPFD-UHFFFAOYSA-N 0 0 404.467 4.230 20 5 HIBDRN CC(C)N1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000490289783 903878758 /nfs/dbraw/zinc/87/87/58/903878758.db2.gz QXJJEBJSZBKJQE-RBBKRZOGSA-N 0 0 417.456 4.146 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490335371 903924862 /nfs/dbraw/zinc/92/48/62/903924862.db2.gz FWZUMHMFKMJWAT-OAHLLOKOSA-N 0 0 400.504 4.019 20 5 HIBDRN CC(C)(C)Oc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000490337445 903926622 /nfs/dbraw/zinc/92/66/22/903926622.db2.gz ADNPVQJWCMMWGH-UHFFFAOYSA-N 0 0 410.377 4.090 20 5 HIBDRN COc1cc(CN2CCCC[C@H]2c2cccn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490354912 903947732 /nfs/dbraw/zinc/94/77/32/903947732.db2.gz NHENKOCHRKJARJ-INIZCTEOSA-N 0 0 409.433 4.313 20 5 HIBDRN O=C(CCNC(=O)c1ccc2ccccc2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490364404 903955988 /nfs/dbraw/zinc/95/59/88/903955988.db2.gz JIZXOQMLYZXFLW-UHFFFAOYSA-N 0 0 417.465 4.059 20 5 HIBDRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000490369879 903962552 /nfs/dbraw/zinc/96/25/52/903962552.db2.gz SBNFWGMTAQOANH-SECBINFHSA-N 0 0 422.228 4.093 20 5 HIBDRN 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ZINC000506123786 914812708 /nfs/dbraw/zinc/81/27/08/914812708.db2.gz CSXUTTXHBIWBMY-UHFFFAOYSA-N 0 0 424.526 4.187 20 5 HIBDRN CCOc1cc(NC(=O)CCOc2cc(C)cc(C)c2)c([N+](=O)[O-])cc1OCC ZINC000491259970 904507816 /nfs/dbraw/zinc/50/78/16/904507816.db2.gz NHWZHELWPPKDIE-UHFFFAOYSA-N 0 0 402.447 4.417 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000491358015 904556623 /nfs/dbraw/zinc/55/66/23/904556623.db2.gz DXLQWDUPUDXJRT-UHFFFAOYSA-N 0 0 419.485 4.272 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1OC ZINC000491446578 904602467 /nfs/dbraw/zinc/60/24/67/904602467.db2.gz YHXSOBMZQWFACQ-AWEZNQCLSA-N 0 0 423.469 4.079 20 5 HIBDRN O=C(NCc1cccc(C(F)(F)F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000491826317 904702118 /nfs/dbraw/zinc/70/21/18/904702118.db2.gz XYWGTDDYZYXNJE-UHFFFAOYSA-N 0 0 422.281 4.485 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] ZINC000491922539 904734748 /nfs/dbraw/zinc/73/47/48/904734748.db2.gz WFBWLRAXLOXZNP-AWEZNQCLSA-N 0 0 419.279 4.066 20 5 HIBDRN CCOc1cc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)ccc1[N+](=O)[O-] ZINC000491938827 904737174 /nfs/dbraw/zinc/73/71/74/904737174.db2.gz UYCSLOOWTRRQFZ-KRWDZBQOSA-N 0 0 415.427 4.181 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000506191503 914839935 /nfs/dbraw/zinc/83/99/35/914839935.db2.gz QILUSPXPFWMQFL-HNNXBMFYSA-N 0 0 421.563 4.110 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1(c2cccc(Br)c2)CCC1 ZINC000492056085 904780259 /nfs/dbraw/zinc/78/02/59/904780259.db2.gz VMLRGZHTNQXPKW-UHFFFAOYSA-N 0 0 403.276 4.138 20 5 HIBDRN O=C(NCc1ccc(F)cn1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000492354342 904837754 /nfs/dbraw/zinc/83/77/54/904837754.db2.gz NPXPMTSCJHHCAS-UHFFFAOYSA-N 0 0 414.824 4.324 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCC(n4ccc(C(F)(F)F)n4)CC3)co2)cc1 ZINC000492420749 904847152 /nfs/dbraw/zinc/84/71/52/904847152.db2.gz GFFPFXIPPJRGIW-UHFFFAOYSA-N 0 0 421.379 4.302 20 5 HIBDRN CCOc1cc(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492657337 904883733 /nfs/dbraw/zinc/88/37/33/904883733.db2.gz RYIYVBPNRZRXHQ-QFIPXVFZSA-N 0 0 405.454 4.463 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000492727271 904894412 /nfs/dbraw/zinc/89/44/12/904894412.db2.gz HSJGSYRVAAIUTD-QGZVFWFLSA-N 0 0 418.291 4.229 20 5 HIBDRN O=C(NCCc1cccc2[nH]ccc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000506228559 914852734 /nfs/dbraw/zinc/85/27/34/914852734.db2.gz VAHMAJWNDOEDGM-UHFFFAOYSA-N 0 0 417.415 4.413 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3c[nH]nc3-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000492729533 904895391 /nfs/dbraw/zinc/89/53/91/904895391.db2.gz UMSOLZKGNPXYPT-HNNXBMFYSA-N 0 0 405.458 4.474 20 5 HIBDRN O=C(c1ccnc(OCc2ccccc2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492789359 904908364 /nfs/dbraw/zinc/90/83/64/904908364.db2.gz MDIZSBNLFICHLA-UHFFFAOYSA-N 0 0 403.438 4.374 20 5 HIBDRN CCOc1cc(CN[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)ccc1[N+](=O)[O-] ZINC000492814657 904911716 /nfs/dbraw/zinc/91/17/16/904911716.db2.gz BHRCAZXOLPZZEX-ZDUSSCGKSA-N 0 0 400.410 4.342 20 5 HIBDRN CC(C)c1ccc2c(c1)[C@H](NC(=O)CCCn1c(=O)oc3cc([N+](=O)[O-])ccc31)CC2 ZINC000492886038 904937853 /nfs/dbraw/zinc/93/78/53/904937853.db2.gz DQMFFMWAEWKODH-LJQANCHMSA-N 0 0 423.469 4.210 20 5 HIBDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000492897710 904946151 /nfs/dbraw/zinc/94/61/51/904946151.db2.gz XPRGORZKTZHYJL-UHFFFAOYSA-N 0 0 409.486 4.014 20 5 HIBDRN COc1ccc(CN(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000493005807 904983339 /nfs/dbraw/zinc/98/33/39/904983339.db2.gz UAUCQCHXKUJEGB-CYBMUJFWSA-N 0 0 423.416 4.416 20 5 HIBDRN CC[C@H](NC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000493032617 904994500 /nfs/dbraw/zinc/99/45/00/904994500.db2.gz KZAROCGTAACKAO-PXNSSMCTSA-N 0 0 413.449 4.490 20 5 HIBDRN O=C(Cc1ccc(F)c(Br)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493073764 905010828 /nfs/dbraw/zinc/01/08/28/905010828.db2.gz AVVIWLXXJYAHEH-UHFFFAOYSA-N 0 0 407.239 4.230 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1[N+](=O)[O-] ZINC000493160544 905037048 /nfs/dbraw/zinc/03/70/48/905037048.db2.gz UBVQHGMAXRJNAG-QAPCUYQASA-N 0 0 411.458 4.282 20 5 HIBDRN CC[C@H](NC(=O)N1CCC(OCCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493161223 905037949 /nfs/dbraw/zinc/03/79/49/905037949.db2.gz UJGVNGIJQTVDHC-QFIPXVFZSA-N 0 0 411.502 4.479 20 5 HIBDRN Cc1c(Cl)cccc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000493182250 905044428 /nfs/dbraw/zinc/04/44/28/905044428.db2.gz PNVORMJBVSPDDJ-QGZVFWFLSA-N 0 0 404.850 4.369 20 5 HIBDRN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000506255530 914866220 /nfs/dbraw/zinc/86/62/20/914866220.db2.gz RZOOKJIHUWJGGS-LJQANCHMSA-N 0 0 423.517 4.314 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000506255442 914866696 /nfs/dbraw/zinc/86/66/96/914866696.db2.gz QZINGJYXCFYRTH-SFHVURJKSA-N 0 0 402.882 4.296 20 5 HIBDRN O=[N+]([O-])c1cccc([C@H](NCc2ccnc(OC3CCOCC3)c2)c2ccccc2)c1 ZINC000493246047 905064266 /nfs/dbraw/zinc/06/42/66/905064266.db2.gz GTEFDEMRVJRLAQ-XMMPIXPASA-N 0 0 419.481 4.427 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000493308441 905082802 /nfs/dbraw/zinc/08/28/02/905082802.db2.gz YNBFBBMPCXTOSN-HNNXBMFYSA-N 0 0 404.291 4.159 20 5 HIBDRN O=C(NCc1ccn(C2CCCC2)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000493370974 905095389 /nfs/dbraw/zinc/09/53/89/905095389.db2.gz CZRYPRBVOMFGML-UHFFFAOYSA-N 0 0 419.485 4.449 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2cccs2)cccc1[N+](=O)[O-] ZINC000493415994 905114966 /nfs/dbraw/zinc/11/49/66/905114966.db2.gz RXYSHMVKVBKETG-QGZVFWFLSA-N 0 0 409.467 4.003 20 5 HIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cccc(Oc2ccncc2)c1 ZINC000493460964 905126736 /nfs/dbraw/zinc/12/67/36/905126736.db2.gz HFIFQRVDLQGIOS-UHFFFAOYSA-N 0 0 401.382 4.425 20 5 HIBDRN COc1ccc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000493480270 905138777 /nfs/dbraw/zinc/13/87/77/905138777.db2.gz NFBLUVQCCHVJOL-AWEZNQCLSA-N 0 0 420.290 4.238 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000493494754 905140086 /nfs/dbraw/zinc/14/00/86/905140086.db2.gz AIRLVKNRCRBGHP-SFHVURJKSA-N 0 0 409.467 4.003 20 5 HIBDRN Cn1ccnc1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[nH]1 ZINC000493505401 905144412 /nfs/dbraw/zinc/14/44/12/905144412.db2.gz VMHGOOFOLGMWSZ-UHFFFAOYSA-N 0 0 420.454 4.122 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c2ccncc21 ZINC000493554789 905161158 /nfs/dbraw/zinc/16/11/58/905161158.db2.gz WZIXQJHFWYHUBO-ZDUSSCGKSA-N 0 0 405.376 4.425 20 5 HIBDRN COc1cc(CNCc2nc(C(C)C)cs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493620079 905175814 /nfs/dbraw/zinc/17/58/14/905175814.db2.gz IXVPXKVEVLDXAG-UHFFFAOYSA-N 0 0 401.435 4.117 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c2ccncc21 ZINC000493703629 905198143 /nfs/dbraw/zinc/19/81/43/905198143.db2.gz DLTGYMGSHDTJNZ-AWEZNQCLSA-N 0 0 405.376 4.425 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c2ccncc21 ZINC000493703630 905198261 /nfs/dbraw/zinc/19/82/61/905198261.db2.gz DLTGYMGSHDTJNZ-CQSZACIVSA-N 0 0 405.376 4.425 20 5 HIBDRN CCCCc1ccc([C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)c2cccs2)cc1 ZINC000493761742 905212132 /nfs/dbraw/zinc/21/21/32/905212132.db2.gz DSZKNBXKDWIXFG-NRFANRHFSA-N 0 0 412.515 4.410 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)c(C)c2)cc1[N+](=O)[O-] ZINC000493907749 905259948 /nfs/dbraw/zinc/25/99/48/905259948.db2.gz POQJLERTJJRPGV-GFCCVEGCSA-N 0 0 409.364 4.046 20 5 HIBDRN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000493915370 905266326 /nfs/dbraw/zinc/26/63/26/905266326.db2.gz DLUVEDSQHYUPDN-PDSMFRHLSA-N 0 0 416.384 4.104 20 5 HIBDRN Cc1cccc([C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C)c1 ZINC000493954141 905303766 /nfs/dbraw/zinc/30/37/66/905303766.db2.gz ZABDGTSVRBEALD-KRWDZBQOSA-N 0 0 403.866 4.399 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ZTAOTKBBFOABLI-UHFFFAOYSA-N 0 0 421.331 4.345 20 5 HIBDRN COc1cc(C(=O)NC[C@]2(C)CCOC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000497920500 907389233 /nfs/dbraw/zinc/38/92/33/907389233.db2.gz CITOARJVPGUAGP-FQEVSTJZSA-N 0 0 420.849 4.206 20 5 HIBDRN CN(Cc1cc(Br)cs1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497922364 907390646 /nfs/dbraw/zinc/39/06/46/907390646.db2.gz PKQYAPVZFMDNGF-UHFFFAOYSA-N 0 0 406.261 4.239 20 5 HIBDRN Cc1cccc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000498026441 907525705 /nfs/dbraw/zinc/52/57/05/907525705.db2.gz JWEFNDDHUPXKNF-OAHLLOKOSA-N 0 0 403.276 4.371 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000498035527 907540600 /nfs/dbraw/zinc/54/06/00/907540600.db2.gz IBKZQBODXFDNIO-CQSZACIVSA-N 0 0 419.275 4.071 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000498141443 907663363 /nfs/dbraw/zinc/66/33/63/907663363.db2.gz YWRIDZWRZUONHO-UHFFFAOYSA-N 0 0 407.270 4.100 20 5 HIBDRN Cc1ccc(Nc2cccc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)c2)nn1 ZINC000498149802 907674326 /nfs/dbraw/zinc/67/43/26/907674326.db2.gz QLQVCTKXHVTOCS-OAQYLSRUSA-N 0 0 421.482 4.325 20 5 HIBDRN O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498153682 907679164 /nfs/dbraw/zinc/67/91/64/907679164.db2.gz QOHRHBZTSDHQCQ-AWEZNQCLSA-N 0 0 410.405 4.125 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498242797 907779195 /nfs/dbraw/zinc/77/91/95/907779195.db2.gz MTTYHOCYPZNPEG-UHFFFAOYSA-N 0 0 419.384 4.075 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498266173 907802503 /nfs/dbraw/zinc/80/25/03/907802503.db2.gz BXBASXWUFGCNPF-AWEZNQCLSA-N 0 0 411.483 4.310 20 5 HIBDRN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498281467 907816168 /nfs/dbraw/zinc/81/61/68/907816168.db2.gz DOXFWUUYTLUVSA-UHFFFAOYSA-N 0 0 418.384 4.399 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(OC)c(Oc3ccc(C)nn3)c2)cc1[N+](=O)[O-] ZINC000498325209 907840464 /nfs/dbraw/zinc/84/04/64/907840464.db2.gz WQNFVIAAGFUZRE-UHFFFAOYSA-N 0 0 424.413 4.145 20 5 HIBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1C[C@H](CO)c2ccccc21 ZINC000498330580 907843473 /nfs/dbraw/zinc/84/34/73/907843473.db2.gz SASPVGFPWHDZQL-MRXNPFEDSA-N 0 0 406.463 4.482 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1nc(C(F)(F)F)cs1 ZINC000498339879 907847623 /nfs/dbraw/zinc/84/76/23/907847623.db2.gz RLEZUQQEALRBOZ-LLVKDONJSA-N 0 0 410.377 4.499 20 5 HIBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1Oc1ccc(C)nn1 ZINC000498340254 907847678 /nfs/dbraw/zinc/84/76/78/907847678.db2.gz VHSWPVARJJMICH-UHFFFAOYSA-N 0 0 400.416 4.116 20 5 HIBDRN CC(C)c1ccc(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c(C(C)C)c1 ZINC000498339829 907847877 /nfs/dbraw/zinc/84/78/77/907847877.db2.gz HKDFVHOMBTXJJC-UHFFFAOYSA-N 0 0 412.490 4.280 20 5 HIBDRN O=C(CCc1ncc[nH]1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000498389902 907875251 /nfs/dbraw/zinc/87/52/51/907875251.db2.gz RNGBPMJAKOTTSS-UHFFFAOYSA-N 0 0 418.812 4.152 20 5 HIBDRN C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000498399722 907881477 /nfs/dbraw/zinc/88/14/77/907881477.db2.gz YELKMKYDZLRCHJ-INIZCTEOSA-N 0 0 406.442 4.385 20 5 HIBDRN CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000498472773 907943428 /nfs/dbraw/zinc/94/34/28/907943428.db2.gz VEBNXSWMENMGEO-IBGZPJMESA-N 0 0 416.909 4.101 20 5 HIBDRN Cc1cccc([C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2ccccn2)c1 ZINC000498598873 908047708 /nfs/dbraw/zinc/04/77/08/908047708.db2.gz NISJATPKNAOUAE-JOCHJYFZSA-N 0 0 413.437 4.003 20 5 HIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000498845440 908250623 /nfs/dbraw/zinc/25/06/23/908250623.db2.gz DTEXDCPGULBWHH-INIZCTEOSA-N 0 0 412.776 4.063 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000498864234 908266682 /nfs/dbraw/zinc/26/66/82/908266682.db2.gz RVORZZOJQRZOPY-QGZVFWFLSA-N 0 0 424.425 4.132 20 5 HIBDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000498950479 908352884 /nfs/dbraw/zinc/35/28/84/908352884.db2.gz RNVCUCVPPSKCHU-LLVKDONJSA-N 0 0 402.394 4.215 20 5 HIBDRN Cc1c(CN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000499031442 908408953 /nfs/dbraw/zinc/40/89/53/908408953.db2.gz CUZTYEQVYICDRE-UHFFFAOYSA-N 0 0 402.882 4.296 20 5 HIBDRN COc1cc(C(=O)NCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000499064903 908430824 /nfs/dbraw/zinc/43/08/24/908430824.db2.gz NVWQQUOEVCRKMM-UHFFFAOYSA-N 0 0 408.401 4.432 20 5 HIBDRN COC[C@@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000499087049 908449706 /nfs/dbraw/zinc/44/97/06/908449706.db2.gz QFRRXDAUPBYRCO-QRWLVFNGSA-N 0 0 417.893 4.286 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1OC ZINC000499097407 908458213 /nfs/dbraw/zinc/45/82/13/908458213.db2.gz BWWPJGMCPOTIEY-GJZGRUSLSA-N 0 0 401.463 4.350 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000499109339 908468975 /nfs/dbraw/zinc/46/89/75/908468975.db2.gz FACSYSHDZUWLBG-ZXNZYJFHSA-N 0 0 409.486 4.178 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000499109336 908469196 /nfs/dbraw/zinc/46/91/96/908469196.db2.gz FACSYSHDZUWLBG-CZGNIMDHSA-N 0 0 409.486 4.178 20 5 HIBDRN CN(C(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000499153201 908510716 /nfs/dbraw/zinc/51/07/16/908510716.db2.gz XYAWDILPHGWNIV-UHFFFAOYSA-N 0 0 406.438 4.258 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC000499223821 908581121 /nfs/dbraw/zinc/58/11/21/908581121.db2.gz UOLVZMGYVWULLM-HNNXBMFYSA-N 0 0 418.490 4.123 20 5 HIBDRN Cc1cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c(C)cc1Br ZINC000512936298 921425963 /nfs/dbraw/zinc/42/59/63/921425963.db2.gz UMVGZFVMUXPTCC-UHFFFAOYSA-N 0 0 421.247 4.388 20 5 HIBDRN Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000499275732 908653663 /nfs/dbraw/zinc/65/36/63/908653663.db2.gz MNMXTEDNZJXRND-KRWDZBQOSA-N 0 0 407.373 4.110 20 5 HIBDRN Cc1csc(-c2cccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])c2)n1 ZINC000499289205 908663080 /nfs/dbraw/zinc/66/30/80/908663080.db2.gz XHIDAZDFYIPSFN-UHFFFAOYSA-N 0 0 403.485 4.011 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1csc(-c2ncccc2F)n1 ZINC000512950961 921433495 /nfs/dbraw/zinc/43/34/95/921433495.db2.gz JSBCBDYVMJWFNE-UHFFFAOYSA-N 0 0 410.333 4.106 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC2CCSCC2)cc1 ZINC000499368197 908736261 /nfs/dbraw/zinc/73/62/61/908736261.db2.gz DKFGZVAREROMNL-UHFFFAOYSA-N 0 0 402.472 4.269 20 5 HIBDRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000512953031 921435024 /nfs/dbraw/zinc/43/50/24/921435024.db2.gz AECPAVYIOXDQLM-ZDUSSCGKSA-N 0 0 423.282 4.376 20 5 HIBDRN Cc1nn(CCC(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000499434915 908795170 /nfs/dbraw/zinc/79/51/70/908795170.db2.gz JDIKYIGRWKQBNB-RYUDHWBXSA-N 0 0 412.412 4.125 20 5 HIBDRN O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000499507343 908821940 /nfs/dbraw/zinc/82/19/40/908821940.db2.gz ZNKAYPUOOZIVJM-UHFFFAOYSA-N 0 0 408.361 4.313 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1N1CCSCC1 ZINC000499509145 908822751 /nfs/dbraw/zinc/82/27/51/908822751.db2.gz BWXWFWNVSDIWNM-UHFFFAOYSA-N 0 0 420.922 4.242 20 5 HIBDRN CC[C@H](C)Sc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C(F)(F)F)c1 ZINC000499572048 908844342 /nfs/dbraw/zinc/84/43/42/908844342.db2.gz NEBLWAYGZFTROO-JTQLQIEISA-N 0 0 402.398 4.339 20 5 HIBDRN CC[C@@H](C)Sc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C(F)(F)F)c1 ZINC000499572049 908844587 /nfs/dbraw/zinc/84/45/87/908844587.db2.gz NEBLWAYGZFTROO-SNVBAGLBSA-N 0 0 402.398 4.339 20 5 HIBDRN COc1ccc(COCc2cccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])c2)cc1 ZINC000499654047 908866232 /nfs/dbraw/zinc/86/62/32/908866232.db2.gz BBXZNPMXIWDQML-UHFFFAOYSA-N 0 0 407.426 4.155 20 5 HIBDRN CNC(=O)c1cc(Oc2cccc(Oc3c(F)cc([N+](=O)[O-])cc3F)c2)ccn1 ZINC000499672744 908872440 /nfs/dbraw/zinc/87/24/40/908872440.db2.gz TXLVGAYLTYCCFA-UHFFFAOYSA-N 0 0 401.325 4.212 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)cc([N+](=O)[O-])c1C ZINC000512973227 921447223 /nfs/dbraw/zinc/44/72/23/921447223.db2.gz KCLVMDUDTXWPHI-UHFFFAOYSA-N 0 0 411.336 4.055 20 5 HIBDRN Cc1sc(NC(=O)c2c(N)cccc2[N+](=O)[O-])nc1-c1ccc(OC(F)F)cc1 ZINC000499744399 908896628 /nfs/dbraw/zinc/89/66/28/908896628.db2.gz RZTGLJLCRXAQJC-UHFFFAOYSA-N 0 0 420.397 4.463 20 5 HIBDRN Cc1ccc(C(=O)CCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000499874677 909004713 /nfs/dbraw/zinc/00/47/13/909004713.db2.gz JUSZJQGQXCJRCU-UHFFFAOYSA-N 0 0 410.470 4.326 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCc1cc(Br)ccc1F ZINC000513027699 921488679 /nfs/dbraw/zinc/48/86/79/921488679.db2.gz ZMKHVDPEYVKDAV-UHFFFAOYSA-N 0 0 409.255 4.130 20 5 HIBDRN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000500342487 909800866 /nfs/dbraw/zinc/80/08/66/909800866.db2.gz FMMMWKDLCHHRPJ-CYBMUJFWSA-N 0 0 424.482 4.439 20 5 HIBDRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000500522861 909904232 /nfs/dbraw/zinc/90/42/32/909904232.db2.gz DMKSACXDQAUKIY-NSHDSACASA-N 0 0 423.903 4.411 20 5 HIBDRN O=[N+]([O-])c1ccc(OCCCN2CCO[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000500574134 909937875 /nfs/dbraw/zinc/93/78/75/909937875.db2.gz CWPJTRRCPFDYOU-LJQANCHMSA-N 0 0 421.291 4.200 20 5 HIBDRN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000500619016 909969998 /nfs/dbraw/zinc/96/99/98/909969998.db2.gz QFTYFSBDHXFTGB-NSHDSACASA-N 0 0 407.348 4.292 20 5 HIBDRN CCCN(C(=O)c1ccc(OCC)c([N+](=O)[O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000500694510 910028193 /nfs/dbraw/zinc/02/81/93/910028193.db2.gz GQCROFVNXFHKCR-INIZCTEOSA-N 0 0 413.474 4.263 20 5 HIBDRN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000500705172 910033515 /nfs/dbraw/zinc/03/35/15/910033515.db2.gz PKHNQTMTBUQTAI-ZDUSSCGKSA-N 0 0 416.421 4.179 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(OC)cc2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000500778406 910075450 /nfs/dbraw/zinc/07/54/50/910075450.db2.gz WJRYCEIBYHNRBD-UHFFFAOYSA-N 0 0 414.336 4.282 20 5 HIBDRN O=[N+]([O-])c1ccc2sc(-c3nc([C@@H]4CN(Cc5ccccc5)CCO4)no3)cc2c1 ZINC000500797588 910088463 /nfs/dbraw/zinc/08/84/63/910088463.db2.gz CIMICGXNGBTXOK-KRWDZBQOSA-N 0 0 422.466 4.433 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000500865537 910138427 /nfs/dbraw/zinc/13/84/27/910138427.db2.gz LKHZMAWOVOEXTN-QGZVFWFLSA-N 0 0 405.458 4.263 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000500873303 910146616 /nfs/dbraw/zinc/14/66/16/910146616.db2.gz WOJKEKMBULRDRV-NRFANRHFSA-N 0 0 410.449 4.173 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1ccc(-c2ccc(F)cc2)s1)C(C)C ZINC000500979839 910216363 /nfs/dbraw/zinc/21/63/63/910216363.db2.gz VWUDBFRSWBOINH-UHFFFAOYSA-N 0 0 416.478 4.405 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000501024451 910242871 /nfs/dbraw/zinc/24/28/71/910242871.db2.gz BYTAGSBDDYSVJP-JOCHJYFZSA-N 0 0 404.470 4.153 20 5 HIBDRN O=C(CCN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501050373 910260919 /nfs/dbraw/zinc/26/09/19/910260919.db2.gz AUNLDGVRFWHZFU-SFHVURJKSA-N 0 0 423.391 4.016 20 5 HIBDRN COc1cc(CN2[C@H](C)COC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000501052016 910261134 /nfs/dbraw/zinc/26/11/34/910261134.db2.gz IZYJYDIQLGNPBY-CXAGYDPISA-N 0 0 408.401 4.167 20 5 HIBDRN O=C(CCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501050372 910261743 /nfs/dbraw/zinc/26/17/43/910261743.db2.gz AUNLDGVRFWHZFU-GOSISDBHSA-N 0 0 423.391 4.016 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000501078112 910277391 /nfs/dbraw/zinc/27/73/91/910277391.db2.gz IZXUYVWYQHANFF-NRFANRHFSA-N 0 0 408.433 4.102 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000501078113 910278125 /nfs/dbraw/zinc/27/81/25/910278125.db2.gz IZXUYVWYQHANFF-OAQYLSRUSA-N 0 0 408.433 4.102 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000501124205 910306605 /nfs/dbraw/zinc/30/66/05/910306605.db2.gz YFVHBHSDBXDKCI-QGZVFWFLSA-N 0 0 420.263 4.271 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)cc1[N+](=O)[O-] ZINC000501281318 910444847 /nfs/dbraw/zinc/44/48/47/910444847.db2.gz CPQDCZDXVOHELT-UHFFFAOYSA-N 0 0 423.513 4.377 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000501418052 910550871 /nfs/dbraw/zinc/55/08/71/910550871.db2.gz HTIRSRUGFBRVMG-MRXNPFEDSA-N 0 0 400.475 4.448 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000501539776 910646032 /nfs/dbraw/zinc/64/60/32/910646032.db2.gz 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CCc1cccc2c1OCC[C@@H]2Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000506794418 915526576 /nfs/dbraw/zinc/52/65/76/915526576.db2.gz DWXZCARAQAZLLD-KRWDZBQOSA-N 0 0 406.442 4.057 20 5 HIBDRN COc1cccc([C@@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CCO2)c1 ZINC000513412336 921779613 /nfs/dbraw/zinc/77/96/13/921779613.db2.gz YBTOXKFOCPHQSW-FQEVSTJZSA-N 0 0 411.483 4.300 20 5 HIBDRN COc1cc(CNc2cn(-c3ccccc3)nc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000513413002 921782020 /nfs/dbraw/zinc/78/20/20/921782020.db2.gz FTQZXWBFWWEXAW-UHFFFAOYSA-N 0 0 418.400 4.354 20 5 HIBDRN CCSc1cccc(NC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000506834795 915611264 /nfs/dbraw/zinc/61/12/64/915611264.db2.gz APMYTSROMQPHRN-UHFFFAOYSA-N 0 0 405.476 4.088 20 5 HIBDRN COc1ccc(F)cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000506849825 915632421 /nfs/dbraw/zinc/63/24/21/915632421.db2.gz UQJZMCIYVLVGKN-VIFPVBQESA-N 0 0 401.316 4.200 20 5 HIBDRN CC(C)(C)Oc1cccc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1 ZINC000506852582 915636596 /nfs/dbraw/zinc/63/65/96/915636596.db2.gz XKXQEYGBKDMDNM-UHFFFAOYSA-N 0 0 417.487 4.399 20 5 HIBDRN COc1ccc(-c2nn(Cc3ccc([N+](=O)[O-])cc3F)c(=O)c3ccccc32)cc1 ZINC000506863200 915651971 /nfs/dbraw/zinc/65/19/71/915651971.db2.gz VQSGAYYWGSJHIX-UHFFFAOYSA-N 0 0 405.385 4.168 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Sc1ccc(O)cc1 ZINC000506873454 915664218 /nfs/dbraw/zinc/66/42/18/915664218.db2.gz LSOAHMXURNCOEP-UHFFFAOYSA-N 0 0 408.501 4.016 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccn2)cc1 ZINC000506911440 915711563 /nfs/dbraw/zinc/71/15/63/915711563.db2.gz QMJSBEYNVDYGIX-JOCHJYFZSA-N 0 0 413.437 4.003 20 5 HIBDRN COc1ccc(-c2nn(Cc3ccc(OC)c([N+](=O)[O-])c3)c(=O)c3ccccc32)cc1 ZINC000506912503 915712248 /nfs/dbraw/zinc/71/22/48/915712248.db2.gz NZGTZQNOZNMBJX-UHFFFAOYSA-N 0 0 417.421 4.037 20 5 HIBDRN O=[N+]([O-])c1cc(CNC2(c3ccc(Br)cc3)CCC2)c2c(c1)COCO2 ZINC000506932806 915735999 /nfs/dbraw/zinc/73/59/99/915735999.db2.gz QUZXEVIIYMRVHV-UHFFFAOYSA-N 0 0 419.275 4.393 20 5 HIBDRN CCc1cc(N2CCCN(c3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506995612 915809450 /nfs/dbraw/zinc/80/94/50/915809450.db2.gz UXGDLODXIKRUNE-UHFFFAOYSA-N 0 0 403.486 4.331 20 5 HIBDRN CCc1cccc2c1OCC[C@H]2NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000507000020 915813481 /nfs/dbraw/zinc/81/34/81/915813481.db2.gz GXVLIVBRCSQYQM-OAQYLSRUSA-N 0 0 412.489 4.357 20 5 HIBDRN CSc1ccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000507149658 915891465 /nfs/dbraw/zinc/89/14/65/915891465.db2.gz MCHKXZCBXZSMQY-UHFFFAOYSA-N 0 0 401.419 4.083 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(Cc2cnc3ccc(Br)cn23)C2CC2)cc1 ZINC000507156516 915895888 /nfs/dbraw/zinc/89/58/88/915895888.db2.gz SVFIPPMLCASRKU-UHFFFAOYSA-N 0 0 401.264 4.170 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000507254796 916014845 /nfs/dbraw/zinc/01/48/45/916014845.db2.gz XEVRODLVMWGQMM-RYUDHWBXSA-N 0 0 424.270 4.483 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3ccc(OC)cc32)cc([N+](=O)[O-])c1 ZINC000507516140 916278604 /nfs/dbraw/zinc/27/86/04/916278604.db2.gz HZKSWZNFMJZGRZ-UHFFFAOYSA-N 0 0 421.409 4.068 20 5 HIBDRN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000507537127 916294425 /nfs/dbraw/zinc/29/44/25/916294425.db2.gz WSFBAAPHEFPADZ-UHFFFAOYSA-N 0 0 418.496 4.369 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)c1ccc(OC(F)F)cc1 ZINC000507616439 916376075 /nfs/dbraw/zinc/37/60/75/916376075.db2.gz OFCFKMSFXSMYKN-SNVBAGLBSA-N 0 0 403.428 4.453 20 5 HIBDRN CS(=O)(=O)c1cc(SCCOc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000507628641 916388707 /nfs/dbraw/zinc/38/87/07/916388707.db2.gz UVYANSYMICFCBQ-UHFFFAOYSA-N 0 0 421.418 4.188 20 5 HIBDRN O=C(CC[S@](=O)Cc1ccc(Cl)cc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000507694531 916469660 /nfs/dbraw/zinc/46/96/60/916469660.db2.gz OVBRIYVJYQQIIQ-VWLOTQADSA-N 0 0 401.271 4.179 20 5 HIBDRN O=C(CC[S@@](=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000507695542 916472966 /nfs/dbraw/zinc/47/29/66/916472966.db2.gz VZPYQXXWBCTSFD-GDLZYMKVSA-N 0 0 408.479 4.462 20 5 HIBDRN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)c(Br)c1 ZINC000507730339 916523810 /nfs/dbraw/zinc/52/38/10/916523810.db2.gz CBXWGMZWLYAAMR-SECBINFHSA-N 0 0 406.211 4.469 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1c(Br)cccc1Br ZINC000507802966 916586699 /nfs/dbraw/zinc/58/66/99/916586699.db2.gz IPGAATRDDYNIBJ-UHFFFAOYSA-N 0 0 414.053 4.050 20 5 HIBDRN O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000507890518 916740607 /nfs/dbraw/zinc/74/06/07/916740607.db2.gz CTLHBDXTXSCYSO-UHFFFAOYSA-N 0 0 403.398 4.329 20 5 HIBDRN CNC(=O)c1ccc(CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cc1 ZINC000507972155 916823400 /nfs/dbraw/zinc/82/34/00/916823400.db2.gz VOOWCGFUTDHGEA-UHFFFAOYSA-N 0 0 415.515 4.023 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCc1nc(-c2ccoc2)no1 ZINC000508165952 916988679 /nfs/dbraw/zinc/98/86/79/916988679.db2.gz ULCPNMGARBJKJO-UHFFFAOYSA-N 0 0 417.175 4.128 20 5 HIBDRN C[C@H](O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000508206407 917025051 /nfs/dbraw/zinc/02/50/51/917025051.db2.gz SHZPZPKHJKFHCY-STQMWFEESA-N 0 0 406.891 4.242 20 5 HIBDRN CCOc1ccc(C2(CNc3cc(OC)c([N+](=O)[O-])cc3F)CCOCC2)cc1 ZINC000508280060 917094101 /nfs/dbraw/zinc/09/41/01/917094101.db2.gz OLIQXKRBYFXQRL-UHFFFAOYSA-N 0 0 404.438 4.302 20 5 HIBDRN CSc1ccccc1[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000508287621 917100854 /nfs/dbraw/zinc/10/08/54/917100854.db2.gz VCWAWEQKHZEOHY-NSHDSACASA-N 0 0 409.305 4.499 20 5 HIBDRN Cc1c(CNC(=O)C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000508458755 917243882 /nfs/dbraw/zinc/24/38/82/917243882.db2.gz RUWYCGKJIQYPRR-SFHVURJKSA-N 0 0 417.893 4.076 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000508494863 917278674 /nfs/dbraw/zinc/27/86/74/917278674.db2.gz GESMJJTWZBTWOL-QFIPXVFZSA-N 0 0 402.454 4.463 20 5 HIBDRN Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000508521884 917305905 /nfs/dbraw/zinc/30/59/05/917305905.db2.gz PWQXEOJFJKVYAB-UHFFFAOYSA-N 0 0 413.865 4.092 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000508527175 917310221 /nfs/dbraw/zinc/31/02/21/917310221.db2.gz LTKZCZHDUFYNAT-UHFFFAOYSA-N 0 0 403.851 4.089 20 5 HIBDRN CC(C)C1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000508534222 917315603 /nfs/dbraw/zinc/31/56/03/917315603.db2.gz XIKSMUAHKMTHGS-UHFFFAOYSA-N 0 0 404.470 4.295 20 5 HIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000508592304 917362653 /nfs/dbraw/zinc/36/26/53/917362653.db2.gz BSSMTMQBLRCNGQ-HNNXBMFYSA-N 0 0 417.391 4.403 20 5 HIBDRN COC(=O)c1cc(-c2nc(-c3cc(Br)ccc3C)no2)cc([N+](=O)[O-])c1 ZINC000508662599 917426753 /nfs/dbraw/zinc/42/67/53/917426753.db2.gz NQXKPNDAXUVXHH-UHFFFAOYSA-N 0 0 418.203 4.169 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCN(Cc3cccnc3)CC2)ccc1Oc1ccc(F)cc1 ZINC000508670409 917434370 /nfs/dbraw/zinc/43/43/70/917434370.db2.gz LTCNIYBKRPJMAQ-UHFFFAOYSA-N 0 0 422.460 4.239 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000508678603 917441872 /nfs/dbraw/zinc/44/18/72/917441872.db2.gz KHZVZUUUURDNCY-UHFFFAOYSA-N 0 0 422.832 4.180 20 5 HIBDRN CCc1ccc([C@@H](NCc2ccccc2Cn2cncn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000508739397 917498765 /nfs/dbraw/zinc/49/87/65/917498765.db2.gz KAFQWMYYSGPTKB-QHCPKHFHSA-N 0 0 417.469 4.269 20 5 HIBDRN O=C(CC1CCCCC1)NC1CCC(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000508782750 917537397 /nfs/dbraw/zinc/53/73/97/917537397.db2.gz DMDXNVZGKGPKIM-UHFFFAOYSA-N 0 0 413.518 4.129 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000508790591 917547325 /nfs/dbraw/zinc/54/73/25/917547325.db2.gz UGCDCURLZUKWJZ-OAHLLOKOSA-N 0 0 415.343 4.235 20 5 HIBDRN Cc1cccc(-n2cc(C(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)nn2)c1 ZINC000508794934 917550971 /nfs/dbraw/zinc/55/09/71/917550971.db2.gz KPKMRXLWLWFAPG-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000508898173 917654946 /nfs/dbraw/zinc/65/49/46/917654946.db2.gz KWKSKWCXWAWXNJ-UHFFFAOYSA-N 0 0 421.409 4.117 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)cc2)cc1 ZINC000508905660 917662269 /nfs/dbraw/zinc/66/22/69/917662269.db2.gz MMUILIVIANPSGG-UHFFFAOYSA-N 0 0 421.409 4.117 20 5 HIBDRN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)c2ccccc21 ZINC000508916876 917673722 /nfs/dbraw/zinc/67/37/22/917673722.db2.gz BUOWTFGJSFHRKK-NSHDSACASA-N 0 0 422.222 4.353 20 5 HIBDRN CCCCCN(C(=O)c1ccc([N+](=O)[O-])cc1I)C(C)C ZINC000508925224 917684656 /nfs/dbraw/zinc/68/46/56/917684656.db2.gz GRVQKVXZUCZYDA-UHFFFAOYSA-N 0 0 404.248 4.240 20 5 HIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(c2nc3ccccc3s2)CC1 ZINC000508972058 917728894 /nfs/dbraw/zinc/72/88/94/917728894.db2.gz WZISTDYRXIOFBJ-UHFFFAOYSA-N 0 0 420.498 4.384 20 5 HIBDRN COC(=O)[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1Cl ZINC000508989658 917743395 /nfs/dbraw/zinc/74/33/95/917743395.db2.gz CNNYZGCNORMRNJ-OAHLLOKOSA-N 0 0 405.184 4.184 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000509026170 917780287 /nfs/dbraw/zinc/78/02/87/917780287.db2.gz GNYQWLHCHNJMPE-RYUDHWBXSA-N 0 0 410.398 4.340 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1c(F)cccc1F ZINC000509026674 917780567 /nfs/dbraw/zinc/78/05/67/917780567.db2.gz NUQNRLCIJRYFAF-UHFFFAOYSA-N 0 0 418.137 4.038 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000509036009 917790049 /nfs/dbraw/zinc/79/00/49/917790049.db2.gz YSVDCUCKBQUSCF-NRFANRHFSA-N 0 0 402.422 4.169 20 5 HIBDRN COc1cc(CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)c([N+](=O)[O-])cc1OC ZINC000509064873 917811157 /nfs/dbraw/zinc/81/11/57/917811157.db2.gz LEOHXWIIGAGPGG-UHFFFAOYSA-N 0 0 418.449 4.156 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)C1CCCCCC1 ZINC000509131774 917862081 /nfs/dbraw/zinc/86/20/81/917862081.db2.gz JDYMHCSDHZIVLV-UHFFFAOYSA-N 0 0 416.259 4.303 20 5 HIBDRN O=[N+]([O-])c1cccc(S(=O)(=O)Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000509145421 917869175 /nfs/dbraw/zinc/86/91/75/917869175.db2.gz DDFMMYCLUDFBES-UHFFFAOYSA-N 0 0 412.345 4.243 20 5 HIBDRN Cn1cc(CN2CCc3[nH]c4ccc(F)cc4c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509156958 917875399 /nfs/dbraw/zinc/87/53/99/917875399.db2.gz UAOSHJZNWCZSBU-UHFFFAOYSA-N 0 0 405.433 4.174 20 5 HIBDRN Cc1cscc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000509159946 917876758 /nfs/dbraw/zinc/87/67/58/917876758.db2.gz AVUIPKJPALFQMC-UHFFFAOYSA-N 0 0 402.213 4.130 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)s1 ZINC000509173067 917886389 /nfs/dbraw/zinc/88/63/89/917886389.db2.gz XEUFNINDZJRVQE-GFCCVEGCSA-N 0 0 420.434 4.243 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1Sc1nccn1C ZINC000509206830 917907553 /nfs/dbraw/zinc/90/75/53/917907553.db2.gz FBVBXXFVAQADKL-UHFFFAOYSA-N 0 0 418.862 4.394 20 5 HIBDRN CNC(=O)c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Cl ZINC000509232548 917928812 /nfs/dbraw/zinc/92/88/12/917928812.db2.gz DMXYBQVQXSJKIN-UHFFFAOYSA-N 0 0 404.854 4.050 20 5 HIBDRN CC1CCN(Cc2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)CC1 ZINC000509237566 917933656 /nfs/dbraw/zinc/93/36/56/917933656.db2.gz WRIVGOYXUNJLLL-UHFFFAOYSA-N 0 0 400.460 4.282 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000509262107 917951591 /nfs/dbraw/zinc/95/15/91/917951591.db2.gz FSCXEMQPJIDTCH-UHFFFAOYSA-N 0 0 424.501 4.454 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000509294505 917975492 /nfs/dbraw/zinc/97/54/92/917975492.db2.gz OQFRJZXQLMINDA-UHFFFAOYSA-N 0 0 412.490 4.431 20 5 HIBDRN Cc1noc(C2CCN(Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)CC2)n1 ZINC000509355857 918021482 /nfs/dbraw/zinc/02/14/82/918021482.db2.gz FEWUSLZNGNCJDI-UHFFFAOYSA-N 0 0 407.474 4.434 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3c(F)cc([N+](=O)[O-])cc3F)C2)cc1 ZINC000509368944 918033366 /nfs/dbraw/zinc/03/33/66/918033366.db2.gz BTEBOXFDNXFAPX-OAHLLOKOSA-N 0 0 418.444 4.215 20 5 HIBDRN Cc1ccc(Cc2ccccn2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000509377694 918044508 /nfs/dbraw/zinc/04/45/08/918044508.db2.gz HHOXIGXIXHWFFH-UHFFFAOYSA-N 0 0 411.483 4.307 20 5 HIBDRN COc1cc(Br)c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000509399086 918065067 /nfs/dbraw/zinc/06/50/67/918065067.db2.gz KSKJEPANSQQOBP-UHFFFAOYSA-N 0 0 420.219 4.108 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccsc1)c1ccccc1 ZINC000509558769 918209627 /nfs/dbraw/zinc/20/96/27/918209627.db2.gz NYRDPUACNLEYOB-UHFFFAOYSA-N 0 0 404.469 4.060 20 5 HIBDRN CCOc1ccc(C2=CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 ZINC000509597688 918248023 /nfs/dbraw/zinc/24/80/23/918248023.db2.gz CHYYVPMXZOKNOE-UHFFFAOYSA-N 0 0 418.453 4.109 20 5 HIBDRN O=C(NCc1ccc2c(c1)OCO2)[C@H](Sc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000509639440 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407.220 4.013 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)CSc2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000509716693 918343918 /nfs/dbraw/zinc/34/39/18/918343918.db2.gz ZLWUWMROONWYEX-UHFFFAOYSA-N 0 0 413.377 4.303 20 5 HIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2cccc([N+](=O)[O-])c2)c1 ZINC000509733265 918355773 /nfs/dbraw/zinc/35/57/73/918355773.db2.gz ZUOXGEXFYXXMOA-SFHVURJKSA-N 0 0 402.472 4.068 20 5 HIBDRN CCOc1cc(NC(=O)N2CCC[C@H]2c2cc(C)no2)c([N+](=O)[O-])cc1OCC ZINC000509746163 918365748 /nfs/dbraw/zinc/36/57/48/918365748.db2.gz ODCREQZIMMSVJP-AWEZNQCLSA-N 0 0 404.423 4.058 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509785041 918394113 /nfs/dbraw/zinc/39/41/13/918394113.db2.gz DAPQLBINUALTQZ-UHFFFAOYSA-N 0 0 422.812 4.130 20 5 HIBDRN COc1ccc(N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C(C)C)cc1F ZINC000509835604 918437386 /nfs/dbraw/zinc/43/73/86/918437386.db2.gz RBDRGUCSLRSNDU-UHFFFAOYSA-N 0 0 415.465 4.401 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000509844293 918446125 /nfs/dbraw/zinc/44/61/25/918446125.db2.gz LMASIGIKCZVRRW-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000509859561 918461667 /nfs/dbraw/zinc/46/16/67/918461667.db2.gz HHDYBPJHINAVLI-SFHVURJKSA-N 0 0 424.284 4.222 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000509888657 918488957 /nfs/dbraw/zinc/48/89/57/918488957.db2.gz BXOVIWFWPILCKC-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CC2 ZINC000509892433 918494186 /nfs/dbraw/zinc/49/41/86/918494186.db2.gz CYGDVFHOTLFHTK-UHFFFAOYSA-N 0 0 420.796 4.014 20 5 HIBDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000509965180 918556061 /nfs/dbraw/zinc/55/60/61/918556061.db2.gz ZLTVEHFDEQSIEY-GFCCVEGCSA-N 0 0 424.379 4.078 20 5 HIBDRN CCCc1n[nH]c(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000509965634 918557271 /nfs/dbraw/zinc/55/72/71/918557271.db2.gz AJSFXISDEUGTDN-GXTWGEPZSA-N 0 0 410.396 4.355 20 5 HIBDRN O=C(CCCOc1cccc(Br)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000509984104 918572233 /nfs/dbraw/zinc/57/22/33/918572233.db2.gz SGDJVGGQYKMYHO-UHFFFAOYSA-N 0 0 419.275 4.496 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1[N+](=O)[O-] ZINC000509991338 918577883 /nfs/dbraw/zinc/57/78/83/918577883.db2.gz RVSPSLIQLUVDMH-UHFFFAOYSA-N 0 0 418.247 4.193 20 5 HIBDRN CCC(=O)Nc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 ZINC000510053920 918624322 /nfs/dbraw/zinc/62/43/22/918624322.db2.gz HMOZRZMXQAKLEE-UHFFFAOYSA-N 0 0 406.236 4.267 20 5 HIBDRN O=C(c1ccc(Cl)c2ncccc12)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000510058902 918628740 /nfs/dbraw/zinc/62/87/40/918628740.db2.gz WIDNHYBCIDUZFC-UHFFFAOYSA-N 0 0 411.845 4.480 20 5 HIBDRN O=C(NCCc1coc(-c2ccc(F)cc2)n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000510073311 918642709 /nfs/dbraw/zinc/64/27/09/918642709.db2.gz TVFZAAXXLYPHMZ-UHFFFAOYSA-N 0 0 404.785 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/nfs/dbraw/zinc/48/08/11/919480811.db2.gz WEHZSNRQEYGIEC-CABCVRRESA-N 0 0 411.384 4.278 20 5 HIBDRN O=C(N[C@@H]1CCc2n[nH]cc2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000510973066 919519407 /nfs/dbraw/zinc/51/94/07/919519407.db2.gz ASHUGDIILZYXAV-OAHLLOKOSA-N 0 0 412.833 4.051 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000511011187 919576576 /nfs/dbraw/zinc/57/65/76/919576576.db2.gz HHFPRECHTATPKO-CQSZACIVSA-N 0 0 402.451 4.104 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000511014264 919582785 /nfs/dbraw/zinc/58/27/85/919582785.db2.gz RZBWQNPLHQCYFE-UHFFFAOYSA-N 0 0 406.398 4.500 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1csc(-c2ncccc2F)n1 ZINC000511028145 919601157 /nfs/dbraw/zinc/60/11/57/919601157.db2.gz LCJIBDFSAGYRKR-UHFFFAOYSA-N 0 0 400.435 4.303 20 5 HIBDRN COc1ccccc1OCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000511064031 919662238 /nfs/dbraw/zinc/66/22/38/919662238.db2.gz OOQRWKZASNQUBI-UHFFFAOYSA-N 0 0 413.455 4.443 20 5 HIBDRN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511091546 919695334 /nfs/dbraw/zinc/69/53/34/919695334.db2.gz MBXSHPXPSWUXPT-AWEZNQCLSA-N 0 0 409.442 4.045 20 5 HIBDRN Cc1ccccc1NC(=O)Cc1nc(CN(C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000511097814 919701472 /nfs/dbraw/zinc/70/14/72/919701472.db2.gz XVSLUVOCGRYJAU-UHFFFAOYSA-N 0 0 424.526 4.215 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OC(F)F)c(F)c1 ZINC000511182769 919803766 /nfs/dbraw/zinc/80/37/66/919803766.db2.gz JVCYVRHQHQMMOZ-SNVBAGLBSA-N 0 0 400.378 4.132 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000511227239 919833063 /nfs/dbraw/zinc/83/30/63/919833063.db2.gz ACCJDOUNLJKRHH-SFHVURJKSA-N 0 0 405.857 4.263 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCOc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000511274735 919871706 /nfs/dbraw/zinc/87/17/06/919871706.db2.gz BMUQBJZLONZRCR-UHFFFAOYSA-N 0 0 411.639 4.358 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)c2)n[nH]1 ZINC000511307381 919899981 /nfs/dbraw/zinc/89/99/81/919899981.db2.gz RBGVOWHSUNDQRF-UHFFFAOYSA-N 0 0 420.473 4.177 20 5 HIBDRN O=C(Nc1ccnc(Oc2ccccc2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511323809 919913745 /nfs/dbraw/zinc/91/37/45/919913745.db2.gz JAFXAGYSSQHWTQ-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000511333335 919924390 /nfs/dbraw/zinc/92/43/90/919924390.db2.gz LDEHOCLJQKZGNB-OAQYLSRUSA-N 0 0 412.465 4.107 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(CC1CCC1)C(C)C ZINC000511355042 919951092 /nfs/dbraw/zinc/95/10/92/919951092.db2.gz KHFKPSKXJGJSRS-UHFFFAOYSA-N 0 0 416.259 4.159 20 5 HIBDRN CC(C)C[C@@H](C)Oc1cc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000511417726 920030555 /nfs/dbraw/zinc/03/05/55/920030555.db2.gz YYHUUPVXMBAYFV-QGZVFWFLSA-N 0 0 414.506 4.187 20 5 HIBDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511437305 920046845 /nfs/dbraw/zinc/04/68/45/920046845.db2.gz FIYUHUMGLWTROT-KUHUBIRLSA-N 0 0 405.882 4.208 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1[N+](=O)[O-] ZINC000511483101 920091331 /nfs/dbraw/zinc/09/13/31/920091331.db2.gz LFXURBAGCFRNNE-UHFFFAOYSA-N 0 0 401.220 4.308 20 5 HIBDRN CCCN(CC)C(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000511481288 920091445 /nfs/dbraw/zinc/09/14/45/920091445.db2.gz YCMHXDHRDZWKNZ-UHFFFAOYSA-N 0 0 421.400 4.321 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000511511799 920129022 /nfs/dbraw/zinc/12/90/22/920129022.db2.gz ZLFBRDRPWSHURH-AWEZNQCLSA-N 0 0 406.822 4.067 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N[C@H]3CCN(c4ccccn4)C3)c([N+](=O)[O-])c2)cc1 ZINC000511602238 920248029 /nfs/dbraw/zinc/24/80/29/920248029.db2.gz AQPJXZNGIAAPHI-IBGZPJMESA-N 0 0 417.469 4.241 20 5 HIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc([N+](=O)[O-])c(OC)c4)CC3)c2c1 ZINC000511627781 920287225 /nfs/dbraw/zinc/28/72/25/920287225.db2.gz RISIMHJCNGXNDP-UHFFFAOYSA-N 0 0 409.442 4.113 20 5 HIBDRN COc1cc(CN(C)C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000511639465 920303277 /nfs/dbraw/zinc/30/32/77/920303277.db2.gz GSJBBHOXGVTKFG-IBGZPJMESA-N 0 0 400.475 4.183 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)CCc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000511677060 920342762 /nfs/dbraw/zinc/34/27/62/920342762.db2.gz FKFYZSGGLNLGRB-GFCCVEGCSA-N 0 0 407.264 4.117 20 5 HIBDRN Cc1nn(CCC(=O)N[C@@H](c2cccc3ccccc32)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000511723473 920389837 /nfs/dbraw/zinc/38/98/37/920389837.db2.gz UWWSYWAMOHMYQI-IBGZPJMESA-N 0 0 420.391 4.371 20 5 HIBDRN COc1ccc(CN(CC2CCC2)C(=O)c2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000511751524 920430635 /nfs/dbraw/zinc/43/06/35/920430635.db2.gz GNYWWOPJBQHLET-UHFFFAOYSA-N 0 0 402.422 4.194 20 5 HIBDRN CNC(=O)c1ccc(NCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000511755529 920435311 /nfs/dbraw/zinc/43/53/11/920435311.db2.gz LMQYIQVPSMAPIJ-UHFFFAOYSA-N 0 0 421.453 4.154 20 5 HIBDRN 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ZINC000513715990 922036258 /nfs/dbraw/zinc/03/62/58/922036258.db2.gz WFPYVXITQFWZRR-UHFFFAOYSA-N 0 0 405.357 4.105 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)ccc1[N+](=O)[O-] ZINC000513738375 922058977 /nfs/dbraw/zinc/05/89/77/922058977.db2.gz SKHLMZVUOGYOTP-AWEZNQCLSA-N 0 0 411.458 4.036 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513755949 922074683 /nfs/dbraw/zinc/07/46/83/922074683.db2.gz VICFOCVBGPLWPS-JOCHJYFZSA-N 0 0 416.485 4.010 20 5 HIBDRN COCCO[C@H]1CCCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC000513771808 922092089 /nfs/dbraw/zinc/09/20/89/922092089.db2.gz QMLPKJSFWYFQJJ-KRWDZBQOSA-N 0 0 410.536 4.001 20 5 HIBDRN O=C(Nc1c[nH]nc1-c1ccccc1F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513792225 922120526 /nfs/dbraw/zinc/12/05/26/922120526.db2.gz CHJBADRKCGFABO-UHFFFAOYSA-N 0 0 409.402 4.500 20 5 HIBDRN Cc1cc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)n(-c2ccc(F)cc2)n1 ZINC000513814550 922137957 /nfs/dbraw/zinc/13/79/57/922137957.db2.gz 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CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000517640580 926746899 /nfs/dbraw/zinc/74/68/99/926746899.db2.gz HLKOZGTXWJJOGB-UHFFFAOYSA-N 0 0 408.414 4.086 20 5 HIBDRN C[C@@H](c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1)N1CCOCC1 ZINC000517688756 926792953 /nfs/dbraw/zinc/79/29/53/926792953.db2.gz BAMSTLAHXGRLHH-AWEZNQCLSA-N 0 0 411.483 4.455 20 5 HIBDRN CCCN([C@H]1CCc2ccccc2C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517730144 926817084 /nfs/dbraw/zinc/81/70/84/926817084.db2.gz PTLRKPGASRGJAX-INIZCTEOSA-N 0 0 408.907 4.206 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000517761862 926825187 /nfs/dbraw/zinc/82/51/87/926825187.db2.gz XFNWMVWBGUIKJN-UHFFFAOYSA-N 0 0 412.465 4.410 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c1 ZINC000517904080 926884424 /nfs/dbraw/zinc/88/44/24/926884424.db2.gz WVGYPHIWKQZFAP-UHFFFAOYSA-N 0 0 415.789 4.354 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000517928763 926894044 /nfs/dbraw/zinc/89/40/44/926894044.db2.gz MGKQWNBBDFAGAD-UHFFFAOYSA-N 0 0 418.396 4.229 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1OC ZINC000517928744 926894224 /nfs/dbraw/zinc/89/42/24/926894224.db2.gz LXLNUAFPZSAHMF-FQEVSTJZSA-N 0 0 402.422 4.412 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1 ZINC000518002563 926943027 /nfs/dbraw/zinc/94/30/27/926943027.db2.gz NRPNNTLLSXKWEH-SFHVURJKSA-N 0 0 421.457 4.211 20 5 HIBDRN C[C@H](Nc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000518012999 926952174 /nfs/dbraw/zinc/95/21/74/926952174.db2.gz CBVDSTOFUXDFKK-SUMWQHHRSA-N 0 0 419.865 4.245 20 5 HIBDRN COc1ccc2oc([C@@H](C)NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)c(C)c2c1 ZINC000518039039 926976709 /nfs/dbraw/zinc/97/67/09/926976709.db2.gz BYKWSYLSAXTLKI-CQSZACIVSA-N 0 0 407.426 4.490 20 5 HIBDRN COc1cc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000518040160 926978496 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O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000525112194 930044168 /nfs/dbraw/zinc/04/41/68/930044168.db2.gz DDSJJMLWPVMOEL-QFIPXVFZSA-N 0 0 411.421 4.472 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3n[nH]c(-c4cc(F)cc(F)c4)n3)o2)cc1 ZINC000525114257 930044821 /nfs/dbraw/zinc/04/48/21/930044821.db2.gz QCOUAUPWNLUMGV-UHFFFAOYSA-N 0 0 416.369 4.000 20 5 HIBDRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000525113737 930044915 /nfs/dbraw/zinc/04/49/15/930044915.db2.gz FKMHKMGTXFZPHL-UHFFFAOYSA-N 0 0 414.849 4.280 20 5 HIBDRN COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000525116725 930045819 /nfs/dbraw/zinc/04/58/19/930045819.db2.gz LLCXSJOBPAWEPZ-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1 ZINC000525138976 930057806 /nfs/dbraw/zinc/05/78/06/930057806.db2.gz OZLDGJKPMMRBFX-UHFFFAOYSA-N 0 0 410.817 4.456 20 5 HIBDRN COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccc(F)c1 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930561251 /nfs/dbraw/zinc/56/12/51/930561251.db2.gz FLSOMUYOYCPTFV-OAHLLOKOSA-N 0 0 402.472 4.057 20 5 HIBDRN COc1ccc(Cn2nccc2NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000527124544 930597123 /nfs/dbraw/zinc/59/71/23/930597123.db2.gz PSFLNGIYZCHBFB-UHFFFAOYSA-N 0 0 424.457 4.233 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCc2ncccc2F)cc1 ZINC000527239956 930618814 /nfs/dbraw/zinc/61/88/14/930618814.db2.gz TUMZBQUWGJVORQ-UHFFFAOYSA-N 0 0 403.417 4.271 20 5 HIBDRN CNc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1[N+](=O)[O-] ZINC000527254182 930620397 /nfs/dbraw/zinc/62/03/97/930620397.db2.gz DCPFUGNJFKYRKF-IBGZPJMESA-N 0 0 405.458 4.394 20 5 HIBDRN Cc1c(C)n(Cc2ccccc2)c2ncnc(NC(=O)c3cccc([N+](=O)[O-])c3)c12 ZINC000527334505 930636936 /nfs/dbraw/zinc/63/69/36/930636936.db2.gz ZNAMFUKKCCTVAJ-UHFFFAOYSA-N 0 0 401.426 4.257 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000527441411 930656504 /nfs/dbraw/zinc/65/65/04/930656504.db2.gz 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O=[N+]([O-])c1ccc(OC2CCN(c3nccc(OCc4ccccc4)n3)CC2)cc1 ZINC000534060870 932239134 /nfs/dbraw/zinc/23/91/34/932239134.db2.gz FFYVQPRUTQOHTC-UHFFFAOYSA-N 0 0 406.442 4.012 20 5 HIBDRN CCS[C@@H](C)c1noc(CN(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000534108222 932283237 /nfs/dbraw/zinc/28/32/37/932283237.db2.gz FCVJYOHZUMDTED-LBPRGKRZSA-N 0 0 403.464 4.079 20 5 HIBDRN CN1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000534123592 932289573 /nfs/dbraw/zinc/28/95/73/932289573.db2.gz JFLKASVSWNBIMB-RBUKOAKNSA-N 0 0 401.894 4.087 20 5 HIBDRN CN1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000534123590 932290106 /nfs/dbraw/zinc/29/01/06/932290106.db2.gz JFLKASVSWNBIMB-MOPGFXCFSA-N 0 0 401.894 4.087 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N[C@H](CCCO)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000534185740 932320755 /nfs/dbraw/zinc/32/07/55/932320755.db2.gz SSUSAACFYOZEBY-HXUWFJFHSA-N 0 0 411.502 4.075 20 5 HIBDRN 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HKCXXKYASMXTIB-ZDUSSCGKSA-N 0 0 400.822 4.148 20 5 HIBDRN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000537903264 938406405 /nfs/dbraw/zinc/40/64/05/938406405.db2.gz JPDPNXIZCCVINB-KXBFYZLASA-N 0 0 413.474 4.228 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000537937966 938423879 /nfs/dbraw/zinc/42/38/79/938423879.db2.gz HCBORWFYJMECHY-RVHYNSKXSA-N 0 0 403.910 4.279 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000537994482 938454696 /nfs/dbraw/zinc/45/46/96/938454696.db2.gz FBLGZGUGPJFRRP-MRXNPFEDSA-N 0 0 416.787 4.121 20 5 HIBDRN CCCN1C(=O)CCc2cc(N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc21 ZINC000537993680 938454801 /nfs/dbraw/zinc/45/48/01/938454801.db2.gz QLWGHIVMYQBBAP-HNNXBMFYSA-N 0 0 410.474 4.032 20 5 HIBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000538008933 938460033 /nfs/dbraw/zinc/46/00/33/938460033.db2.gz HUOHWWLFSMJUMJ-ZBEGNZNMSA-N 0 0 408.252 4.255 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Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538186679 938543192 /nfs/dbraw/zinc/54/31/92/938543192.db2.gz AOXIPIMSXGRXGR-UHFFFAOYSA-N 0 0 418.453 4.054 20 5 HIBDRN C[C@H](N[C@@H](C)c1cccc(-n2cccn2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000538187949 938543901 /nfs/dbraw/zinc/54/39/01/938543901.db2.gz KCZDTSGKMQOIMB-GJZGRUSLSA-N 0 0 404.430 4.242 20 5 HIBDRN CC(C)(NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000538190304 938545435 /nfs/dbraw/zinc/54/54/35/938545435.db2.gz FKSDMWHBWLINCY-ZWKOTPCHSA-N 0 0 403.866 4.313 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccc(OCc3ccccc3)cc2)s1 ZINC000538190592 938546483 /nfs/dbraw/zinc/54/64/83/938546483.db2.gz NYOPCDFBMULJSH-UHFFFAOYSA-N 0 0 405.453 4.431 20 5 HIBDRN C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000538247585 938573231 /nfs/dbraw/zinc/57/32/31/938573231.db2.gz AJVARTIQQLOQBY-ZDUSSCGKSA-N 0 0 422.407 4.102 20 5 HIBDRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000538248986 938573690 /nfs/dbraw/zinc/57/36/90/938573690.db2.gz YYKPAGLQGDEXCM-HNNXBMFYSA-N 0 0 417.469 4.218 20 5 HIBDRN CN(C(=O)c1cc(-c2ccccn2)no1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000538252102 938574619 /nfs/dbraw/zinc/57/46/19/938574619.db2.gz RGUAVOQVLHNMTP-UHFFFAOYSA-N 0 0 407.411 4.045 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000538256007 938575667 /nfs/dbraw/zinc/57/56/67/938575667.db2.gz AGVLGWPEUXCKBX-AWEZNQCLSA-N 0 0 411.487 4.167 20 5 HIBDRN CC[C@H]1Oc2cc([C@@H](C)NCc3cc([N+](=O)[O-])ccc3OC(C)C)ccc2NC1=O ZINC000538259022 938576798 /nfs/dbraw/zinc/57/67/98/938576798.db2.gz UPFXSGJTZCDMSJ-AUUYWEPGSA-N 0 0 413.474 4.342 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000538269208 938579905 /nfs/dbraw/zinc/57/99/05/938579905.db2.gz VUOOFLHXZYGGLY-ICSRJNTNSA-N 0 0 403.866 4.087 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000538332012 938594932 /nfs/dbraw/zinc/59/49/32/938594932.db2.gz VSFHYCKOXMLTSH-AWEZNQCLSA-N 0 0 403.866 4.046 20 5 HIBDRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000538337558 938596894 /nfs/dbraw/zinc/59/68/94/938596894.db2.gz OZONHUZANQVYFE-MGPLVRAMSA-N 0 0 411.227 4.002 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000538337557 938597094 /nfs/dbraw/zinc/59/70/94/938597094.db2.gz OZONHUZANQVYFE-HWPZZCPQSA-N 0 0 411.227 4.002 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000538387931 938608382 /nfs/dbraw/zinc/60/83/82/938608382.db2.gz TZRMWFRSRVSWHK-OXJNMPFZSA-N 0 0 403.438 4.259 20 5 HIBDRN CCCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1Cl ZINC000538444762 938623466 /nfs/dbraw/zinc/62/34/66/938623466.db2.gz PFMFFPHMMMZSFD-UHFFFAOYSA-N 0 0 419.865 4.126 20 5 HIBDRN CCCOc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000538446521 938623872 /nfs/dbraw/zinc/62/38/72/938623872.db2.gz HWBMJGLTOIEDOQ-UHFFFAOYSA-N 0 0 419.865 4.126 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)cc1[N+](=O)[O-] ZINC000538484526 938632490 /nfs/dbraw/zinc/63/24/90/938632490.db2.gz JLEHUPJSBIWJQK-KSSFIOAISA-N 0 0 407.470 4.258 20 5 HIBDRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000538514539 938638974 /nfs/dbraw/zinc/63/89/74/938638974.db2.gz JHNSZXPIGWWFTK-KRWDZBQOSA-N 0 0 414.893 4.201 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000538550786 938647014 /nfs/dbraw/zinc/64/70/14/938647014.db2.gz GEKWHDYAYHOZRE-SFHVURJKSA-N 0 0 418.375 4.431 20 5 HIBDRN CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCCC)C1 ZINC000538586342 938655799 /nfs/dbraw/zinc/65/57/99/938655799.db2.gz UOINSBWFHWYVMM-INIZCTEOSA-N 0 0 421.563 4.256 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538602824 938659417 /nfs/dbraw/zinc/65/94/17/938659417.db2.gz ZRBVCSKLHYCIAW-CTNGQTDRSA-N 0 0 419.884 4.270 20 5 HIBDRN CCC[C@@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000538625741 938665624 /nfs/dbraw/zinc/66/56/24/938665624.db2.gz HXNZHHABEZNWID-GOSISDBHSA-N 0 0 414.487 4.137 20 5 HIBDRN Cc1cc(Br)cc(Cl)c1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000538689667 938684724 /nfs/dbraw/zinc/68/47/24/938684724.db2.gz ASKCBEFMQNURJH-UHFFFAOYSA-N 0 0 412.671 4.161 20 5 HIBDRN O=C(CCn1c2ccccc2nc1C1CC1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000538788827 938711739 /nfs/dbraw/zinc/71/17/39/938711739.db2.gz FLZRGDUVWAJUPM-JOCHJYFZSA-N 0 0 422.510 4.486 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCOC3(CCOCC3)C2)cc1 ZINC000538810446 938718699 /nfs/dbraw/zinc/71/86/99/938718699.db2.gz OAPCGRPLQMYBIK-UHFFFAOYSA-N 0 0 418.877 4.422 20 5 HIBDRN COc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-] ZINC000538959220 938750564 /nfs/dbraw/zinc/75/05/64/938750564.db2.gz JDERRCPERXZXQQ-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000538990240 938761586 /nfs/dbraw/zinc/76/15/86/938761586.db2.gz WBZDFDUBEFLHAE-BLVKFPJESA-N 0 0 400.456 4.324 20 5 HIBDRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000538991716 938762094 /nfs/dbraw/zinc/76/20/94/938762094.db2.gz UXWZKSJDWKVWBC-DIFFPNOSSA-N 0 0 412.364 4.128 20 5 HIBDRN CCN1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539123854 938806497 /nfs/dbraw/zinc/80/64/97/938806497.db2.gz BQJONTMLBFJWLH-WIYYLYMNSA-N 0 0 419.884 4.190 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000539135549 938809131 /nfs/dbraw/zinc/80/91/31/938809131.db2.gz WVZJMTFMJRKPGG-UHFFFAOYSA-N 0 0 408.376 4.399 20 5 HIBDRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000539156712 938813535 /nfs/dbraw/zinc/81/35/35/938813535.db2.gz DTTOAYYLBDXFHG-RFAUZJTJSA-N 0 0 413.293 4.233 20 5 HIBDRN Cn1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(-c2ccccc2)n1 ZINC000539158852 938814031 /nfs/dbraw/zinc/81/40/31/938814031.db2.gz SWECPETZEATHHE-UHFFFAOYSA-N 0 0 401.220 4.010 20 5 HIBDRN Cc1cc(N2CCCC2)ccc1NC(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000539249136 938825505 /nfs/dbraw/zinc/82/55/05/938825505.db2.gz QTZFLHUUDVSOMO-UHFFFAOYSA-N 0 0 413.865 4.145 20 5 HIBDRN C[C@H](NCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000539276176 938831810 /nfs/dbraw/zinc/83/18/10/938831810.db2.gz DQDYCANKQPPZAV-ZDUSSCGKSA-N 0 0 414.462 4.071 20 5 HIBDRN C[C@@H](NC(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000539298613 938836128 /nfs/dbraw/zinc/83/61/28/938836128.db2.gz JGLQZUDGZOOCSB-IERDGZPVSA-N 0 0 418.453 4.335 20 5 HIBDRN CN(C(=O)c1ccc(C(F)(F)F)nc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539352363 938846897 /nfs/dbraw/zinc/84/68/97/938846897.db2.gz HBOUNVRHOHTKCK-UHFFFAOYSA-N 0 0 408.361 4.409 20 5 HIBDRN COc1cc(NC(C)=O)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000539352880 938847095 /nfs/dbraw/zinc/84/70/95/938847095.db2.gz PBVBRZLBLHXBKY-UHFFFAOYSA-N 0 0 403.460 4.315 20 5 HIBDRN CN(C(=O)c1cc2c(s1)CCOC2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539354140 938847115 /nfs/dbraw/zinc/84/71/15/938847115.db2.gz NZYZSPPBYUOPCU-UHFFFAOYSA-N 0 0 401.469 4.129 20 5 HIBDRN Cc1nn(C(F)F)c(C)c1CC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539356394 938847374 /nfs/dbraw/zinc/84/73/74/938847374.db2.gz BGSNKXYFBXRAQJ-UHFFFAOYSA-N 0 0 421.429 4.132 20 5 HIBDRN CN(C(=O)CN[C@H](COCc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000539361321 938848418 /nfs/dbraw/zinc/84/84/18/938848418.db2.gz RNGLKYSPTPDRQO-HSZRJFAPSA-N 0 0 419.481 4.105 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000539427845 938859198 /nfs/dbraw/zinc/85/91/98/938859198.db2.gz FGVCZUAPHGWFRP-SNVBAGLBSA-N 0 0 416.331 4.152 20 5 HIBDRN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000539448208 938862149 /nfs/dbraw/zinc/86/21/49/938862149.db2.gz OISJANWPFYBIQQ-OXQOHEQNSA-N 0 0 403.438 4.259 20 5 HIBDRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)nn1-c1ccc(C)cc1 ZINC000539453384 938862743 /nfs/dbraw/zinc/86/27/43/938862743.db2.gz LRNVJJFGFHSIJP-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CC[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000539489360 938867571 /nfs/dbraw/zinc/86/75/71/938867571.db2.gz XWUSWEDTDVRKLN-KRWDZBQOSA-N 0 0 409.417 4.383 20 5 HIBDRN O=C(Nc1cccc2c1C(=O)NC2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000539515789 938871983 /nfs/dbraw/zinc/87/19/83/938871983.db2.gz YIFZRXZCQSZCTI-UHFFFAOYSA-N 0 0 405.435 4.242 20 5 HIBDRN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc([S@](C)=O)cc1 ZINC000539529885 938874037 /nfs/dbraw/zinc/87/40/37/938874037.db2.gz FIERJQICHSXNTR-CEXHIMGSSA-N 0 0 401.513 4.307 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CCO[C@H](C)C1 ZINC000539549297 938878324 /nfs/dbraw/zinc/87/83/24/938878324.db2.gz MILXXHDNKJNUCJ-TZMCWYRMSA-N 0 0 418.471 4.254 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(=O)Nc2ccccc21 ZINC000539619094 938888834 /nfs/dbraw/zinc/88/88/34/938888834.db2.gz ZFBDGDCZBSOXER-UHFFFAOYSA-N 0 0 416.437 4.196 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2cccnc2O1 ZINC000539642087 938892557 /nfs/dbraw/zinc/89/25/57/938892557.db2.gz LRUHFMMEZLNGTD-HNNXBMFYSA-N 0 0 404.426 4.030 20 5 HIBDRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000539647222 938893248 /nfs/dbraw/zinc/89/32/48/938893248.db2.gz ZPPCMAAUSMSOGS-CQSZACIVSA-N 0 0 422.528 4.206 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)ccc1[N+](=O)[O-] ZINC000539650305 938893877 /nfs/dbraw/zinc/89/38/77/938893877.db2.gz MLVYEQIMENTSKG-UHFFFAOYSA-N 0 0 414.421 4.163 20 5 HIBDRN COc1cccc(CC(=O)N2CCc3ccc(NCc4csc([N+](=O)[O-])c4)cc32)c1 ZINC000539708675 938908164 /nfs/dbraw/zinc/90/81/64/938908164.db2.gz DPPOVNHBLYCDGB-UHFFFAOYSA-N 0 0 423.494 4.409 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000563558638 945215157 /nfs/dbraw/zinc/21/51/57/945215157.db2.gz WYXJEHWMQVUNFT-LLVKDONJSA-N 0 0 413.293 4.324 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000539743568 938918370 /nfs/dbraw/zinc/91/83/70/938918370.db2.gz AYTBTKXNONEPJT-CQSZACIVSA-N 0 0 415.519 4.111 20 5 HIBDRN O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000539781169 938934197 /nfs/dbraw/zinc/93/41/97/938934197.db2.gz QIBHHZCEVUBCPH-UHFFFAOYSA-N 0 0 406.423 4.058 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1coc(-c2ccc(Br)cc2F)n1 ZINC000539808025 938939294 /nfs/dbraw/zinc/93/92/94/938939294.db2.gz PIYOIUOOWOOLQH-UHFFFAOYSA-N 0 0 420.194 4.081 20 5 HIBDRN COc1ccc(OCc2nc(CN3CCc4ccc([N+](=O)[O-])cc4C3)cs2)cc1 ZINC000539828714 938948822 /nfs/dbraw/zinc/94/88/22/938948822.db2.gz FRCOVTVDIOBZGR-UHFFFAOYSA-N 0 0 411.483 4.197 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000539844481 938955910 /nfs/dbraw/zinc/95/59/10/938955910.db2.gz YZMIYPYAZWOOHL-UHFFFAOYSA-N 0 0 401.426 4.482 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3c[nH]c4ccccc43)no2)ccc1[N+](=O)[O-] ZINC000563568909 945218965 /nfs/dbraw/zinc/21/89/65/945218965.db2.gz OGQTVZUEYUCOJR-LJQANCHMSA-N 0 0 417.425 4.412 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccccc3SCC(N)=O)o2)c([N+](=O)[O-])c1 ZINC000539924703 938978189 /nfs/dbraw/zinc/97/81/89/938978189.db2.gz IKZKMLUYEFVGBF-UHFFFAOYSA-N 0 0 413.455 4.053 20 5 HIBDRN COc1ccc(-c2nc(Sc3ccc([N+](=O)[O-])c(OC(F)F)c3)n[nH]2)c(OC)c1 ZINC000539970006 938982500 /nfs/dbraw/zinc/98/25/00/938982500.db2.gz KQROZHWDPHGWES-UHFFFAOYSA-N 0 0 424.385 4.150 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000540013335 939039194 /nfs/dbraw/zinc/03/91/94/939039194.db2.gz OSQGQWGQEJSUCA-VLIAUNLRSA-N 0 0 401.438 4.184 20 5 HIBDRN O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000540027071 939043387 /nfs/dbraw/zinc/04/33/87/939043387.db2.gz CIJVSRRYUNSZJR-CQSZACIVSA-N 0 0 410.373 4.292 20 5 HIBDRN O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540104041 939073289 /nfs/dbraw/zinc/07/32/89/939073289.db2.gz NADKQWYXPHZSQX-QFBILLFUSA-N 0 0 409.467 4.226 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000540123903 939081375 /nfs/dbraw/zinc/08/13/75/939081375.db2.gz XSVYWVQUKZPSKK-DZGCQCFKSA-N 0 0 410.396 4.193 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000540130947 939084429 /nfs/dbraw/zinc/08/44/29/939084429.db2.gz PWYZQUBOVLGMDI-UHFFFAOYSA-N 0 0 415.496 4.295 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1 ZINC000540170805 939101634 /nfs/dbraw/zinc/10/16/34/939101634.db2.gz WZJNJSMTQJTNGP-UHFFFAOYSA-N 0 0 418.453 4.391 20 5 HIBDRN O=C(Nc1ccc(F)cc1OCC(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000540199564 939123910 /nfs/dbraw/zinc/12/39/10/939123910.db2.gz XOXLYZJQMYSKPC-UHFFFAOYSA-N 0 0 419.153 4.393 20 5 HIBDRN CCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540228656 939149743 /nfs/dbraw/zinc/14/97/43/939149743.db2.gz QJNQYPJKZVDEMF-ZWKOTPCHSA-N 0 0 409.820 4.092 20 5 HIBDRN COC[C@@H](C)n1c(C)cc(C(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)c1C ZINC000540371842 939214445 /nfs/dbraw/zinc/21/44/45/939214445.db2.gz CRSPZFAGLPOOBX-GFCCVEGCSA-N 0 0 404.854 4.107 20 5 HIBDRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000540393063 939231803 /nfs/dbraw/zinc/23/18/03/939231803.db2.gz PFZCAURMWUCNJJ-VQIMIIECSA-N 0 0 413.474 4.055 20 5 HIBDRN CCOc1cc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])cc1OCC ZINC000540400309 939235032 /nfs/dbraw/zinc/23/50/32/939235032.db2.gz IBSBQTFFPWXHLJ-OAHLLOKOSA-N 0 0 417.466 4.101 20 5 HIBDRN C[C@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(F)c1F ZINC000540430952 939246319 /nfs/dbraw/zinc/24/63/19/939246319.db2.gz VUZWTVHOFRDEDF-NSHDSACASA-N 0 0 418.425 4.286 20 5 HIBDRN CCC(CC)C(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000540435837 939248018 /nfs/dbraw/zinc/24/80/18/939248018.db2.gz BFTQXWMZRXFXTQ-UHFFFAOYSA-N 0 0 421.563 4.252 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](COCc1ccccc1)c1ccccc1 ZINC000540447034 939253449 /nfs/dbraw/zinc/25/34/49/939253449.db2.gz URYXXXNWTYXRRM-QHCPKHFHSA-N 0 0 419.481 4.389 20 5 HIBDRN CN(C(=O)c1ccc(-n2cccn2)cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540451203 939255025 /nfs/dbraw/zinc/25/50/25/939255025.db2.gz CUIYGUJHHIZTII-UHFFFAOYSA-N 0 0 405.439 4.181 20 5 HIBDRN CN(C(=O)c1cccc([C@H]2CCOC2)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540452493 939256097 /nfs/dbraw/zinc/25/60/97/939256097.db2.gz PDMKCICCBLUNLQ-INIZCTEOSA-N 0 0 409.467 4.499 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000540490305 939272677 /nfs/dbraw/zinc/27/26/77/939272677.db2.gz BBISQXIPZBCYPC-WOJBJXKFSA-N 0 0 419.428 4.025 20 5 HIBDRN CCn1c2ccc(C)cc2nc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000540510726 939282582 /nfs/dbraw/zinc/28/25/82/939282582.db2.gz CWUBCEJCSNQJEA-UHFFFAOYSA-N 0 0 403.236 4.288 20 5 HIBDRN CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c1 ZINC000540539655 939296419 /nfs/dbraw/zinc/29/64/19/939296419.db2.gz ZQGGTNUYHPAEPH-MJGOQNOKSA-N 0 0 416.499 4.018 20 5 HIBDRN COc1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)cc(OC)c1Br ZINC000540560594 939305321 /nfs/dbraw/zinc/30/53/21/939305321.db2.gz VMDIVCNQXGQRCA-UHFFFAOYSA-N 0 0 420.219 4.108 20 5 HIBDRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000540568119 939307367 /nfs/dbraw/zinc/30/73/67/939307367.db2.gz FELFNCSGKOIMBO-MGPUTAFESA-N 0 0 403.454 4.430 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)N1CC2(CCCC2)c2ccccc21 ZINC000540587884 939311930 /nfs/dbraw/zinc/31/19/30/939311930.db2.gz VSAPXLOMYOMMJF-UHFFFAOYSA-N 0 0 421.482 4.336 20 5 HIBDRN COCCN(C(=O)c1ccoc1C1CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000540601964 939316345 /nfs/dbraw/zinc/31/63/45/939316345.db2.gz BBFQMCZGKUGVFY-UHFFFAOYSA-N 0 0 413.455 4.482 20 5 HIBDRN O=C(Nc1nncn1-c1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000540614010 939320193 /nfs/dbraw/zinc/32/01/93/939320193.db2.gz WVNRIYUTOYUSHH-UHFFFAOYSA-N 0 0 414.425 4.040 20 5 HIBDRN O=C(N[C@@H]1CCCOCC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000540633450 939324876 /nfs/dbraw/zinc/32/48/76/939324876.db2.gz FNMRASTZXRNLJP-MRXNPFEDSA-N 0 0 403.866 4.159 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540636465 939325517 /nfs/dbraw/zinc/32/55/17/939325517.db2.gz RAAKDIKQBWPLGW-DLBZAZTESA-N 0 0 424.423 4.303 20 5 HIBDRN CSc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1Cl ZINC000540656663 939332272 /nfs/dbraw/zinc/33/22/72/939332272.db2.gz QLXCPFHXNVEMGH-UHFFFAOYSA-N 0 0 407.879 4.059 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1[N+](=O)[O-] ZINC000540756739 939361196 /nfs/dbraw/zinc/36/11/96/939361196.db2.gz NCGSUBQOYLMZIY-UHFFFAOYSA-N 0 0 403.398 4.482 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(N)=O)c(OC)c1 ZINC000540769723 939366004 /nfs/dbraw/zinc/36/60/04/939366004.db2.gz AACHBEVIAJHQKG-UHFFFAOYSA-N 0 0 418.475 4.239 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540780212 939370036 /nfs/dbraw/zinc/37/00/36/939370036.db2.gz TXEZEJYIFRBYFY-HZPDHXFCSA-N 0 0 408.376 4.445 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540780213 939370148 /nfs/dbraw/zinc/37/01/48/939370148.db2.gz TXEZEJYIFRBYFY-JKSUJKDBSA-N 0 0 408.376 4.445 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3C3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000540823774 939384615 /nfs/dbraw/zinc/38/46/15/939384615.db2.gz XZJAHHOISKAXTK-QKLQHJQFSA-N 0 0 415.534 4.108 20 5 HIBDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000540824872 939385369 /nfs/dbraw/zinc/38/53/69/939385369.db2.gz JRYOIVQVRGPJJU-YWZLYKJASA-N 0 0 405.520 4.376 20 5 HIBDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000540824866 939385408 /nfs/dbraw/zinc/38/54/08/939385408.db2.gz JRYOIVQVRGPJJU-FOIQADDNSA-N 0 0 405.520 4.376 20 5 HIBDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000540826056 939385834 /nfs/dbraw/zinc/38/58/34/939385834.db2.gz LOCGYYNANRRAKY-IAGOWNOFSA-N 0 0 419.547 4.246 20 5 HIBDRN CCOC(=O)CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)c1ccccc1 ZINC000540863799 939401502 /nfs/dbraw/zinc/40/15/02/939401502.db2.gz DLOCUIXRSIFLRU-MRXNPFEDSA-N 0 0 409.442 4.376 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000540891860 939411844 /nfs/dbraw/zinc/41/18/44/939411844.db2.gz NXZVIENIUXDPPV-CQSZACIVSA-N 0 0 408.285 4.229 20 5 HIBDRN COc1cc(CNc2ccc(-c3nnco3)cc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000540916243 939416911 /nfs/dbraw/zinc/41/69/11/939416911.db2.gz FZTXXXXWHXDYNX-UHFFFAOYSA-N 0 0 420.372 4.218 20 5 HIBDRN Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2nn(C)cc2[N+](=O)[O-])c(C)c1 ZINC000540935613 939418490 /nfs/dbraw/zinc/41/84/90/939418490.db2.gz NQRIXOGNHGRYRH-UHFFFAOYSA-N 0 0 416.441 4.050 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)Cc2ccc(F)cc2F)cc1 ZINC000540939987 939419067 /nfs/dbraw/zinc/41/90/67/939419067.db2.gz RPIFHJIGBUABDT-UHFFFAOYSA-N 0 0 418.421 4.410 20 5 HIBDRN CNc1ccc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000540969511 939422383 /nfs/dbraw/zinc/42/23/83/939422383.db2.gz ZGTOCDQBZNTKKE-CQSZACIVSA-N 0 0 419.306 4.271 20 5 HIBDRN CC(C)[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1F ZINC000540988360 939425848 /nfs/dbraw/zinc/42/58/48/939425848.db2.gz CZBKMHZNIMOVBV-KRWDZBQOSA-N 0 0 400.859 4.204 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n1 ZINC000541005611 939429811 /nfs/dbraw/zinc/42/98/11/939429811.db2.gz PIROSVSXDAKFEB-CYBMUJFWSA-N 0 0 420.395 4.052 20 5 HIBDRN CC(C)c1nc(-c2ccccc2NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n[nH]1 ZINC000541013317 939431455 /nfs/dbraw/zinc/43/14/55/939431455.db2.gz MFARDZZTNFXOLN-UHFFFAOYSA-N 0 0 417.372 4.357 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1OC ZINC000541013377 939431487 /nfs/dbraw/zinc/43/14/87/939431487.db2.gz JJSSMDOYRGXBGI-CQSZACIVSA-N 0 0 422.384 4.191 20 5 HIBDRN Cc1ccc(-c2nc(CNC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)co2)cc1 ZINC000541016279 939431714 /nfs/dbraw/zinc/43/17/14/939431714.db2.gz LQJHFHPZNRDNPX-UHFFFAOYSA-N 0 0 403.341 4.090 20 5 HIBDRN Cc1ccnc(OC2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 ZINC000541071470 939449977 /nfs/dbraw/zinc/44/99/77/939449977.db2.gz YWVYUQLECDJHTI-UHFFFAOYSA-N 0 0 424.482 4.105 20 5 HIBDRN COc1ccccc1C(=O)Nc1ccc(OCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000541123573 939469415 /nfs/dbraw/zinc/46/94/15/939469415.db2.gz LTRUWNXBDYSWBH-UHFFFAOYSA-N 0 0 408.410 4.314 20 5 HIBDRN CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000541138492 939474335 /nfs/dbraw/zinc/47/43/35/939474335.db2.gz JJDPCCROQJLXQE-SGTLLEGYSA-N 0 0 419.865 4.099 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000541147389 939475681 /nfs/dbraw/zinc/47/56/81/939475681.db2.gz DFQNFVKQKNERLU-AWEZNQCLSA-N 0 0 415.877 4.039 20 5 HIBDRN Cc1cccc(Nc2nnc(SC[C@H](O)COc3ccccc3[N+](=O)[O-])s2)c1 ZINC000541259858 939488115 /nfs/dbraw/zinc/48/81/15/939488115.db2.gz BXKKDGSVJOSZNU-CQSZACIVSA-N 0 0 418.500 4.030 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000541269028 939488548 /nfs/dbraw/zinc/48/85/48/939488548.db2.gz LAKZHFFCHSUXBL-UHFFFAOYSA-N 0 0 421.906 4.461 20 5 HIBDRN Cc1ccnc(OC2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000541270013 939488560 /nfs/dbraw/zinc/48/85/60/939488560.db2.gz JBWFCKDFKFYWDX-UHFFFAOYSA-N 0 0 421.906 4.114 20 5 HIBDRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2c2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000541275556 939488972 /nfs/dbraw/zinc/48/89/72/939488972.db2.gz PDROINRRAPIBME-XXBNENTESA-N 0 0 415.453 4.381 20 5 HIBDRN CCOc1ccc(Br)cc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000541289557 939489506 /nfs/dbraw/zinc/48/95/06/939489506.db2.gz 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ZINC000551259988 941437894 /nfs/dbraw/zinc/43/78/94/941437894.db2.gz SXAPAXJUFSCAFO-AWEZNQCLSA-N 0 0 419.275 4.207 20 5 HIBDRN O=C(Cc1ccc(Br)s1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551332640 941453971 /nfs/dbraw/zinc/45/39/71/941453971.db2.gz MOHHBVBOHUYQLD-UHFFFAOYSA-N 0 0 420.082 4.363 20 5 HIBDRN CC(C)[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)[O-] ZINC000551434912 941478769 /nfs/dbraw/zinc/47/87/69/941478769.db2.gz DWZYRUYNBMSIFE-AWEZNQCLSA-N 0 0 411.252 4.064 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000551495023 941490301 /nfs/dbraw/zinc/49/03/01/941490301.db2.gz GLWSNVNWFBSORU-HXUWFJFHSA-N 0 0 409.486 4.488 20 5 HIBDRN Cc1cccnc1[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000551501063 941490762 /nfs/dbraw/zinc/49/07/62/941490762.db2.gz QFZAXAADLZSBEZ-GOSISDBHSA-N 0 0 412.490 4.048 20 5 HIBDRN CCOc1cccc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1OC(F)F ZINC000551563292 941501894 /nfs/dbraw/zinc/50/18/94/941501894.db2.gz 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O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@]4(CC=CCC4)C3)n2C[C@@H]2CCCO2)c1 ZINC000555381954 942505004 /nfs/dbraw/zinc/50/50/04/942505004.db2.gz VODAYJQCFXIKAO-NZQKXSOJSA-N 0 0 423.517 4.359 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000555421422 942525203 /nfs/dbraw/zinc/52/52/03/942525203.db2.gz OGQBZKJVFXHXHK-JOCHJYFZSA-N 0 0 408.479 4.072 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C[C@@H](C)S1 ZINC000555436211 942534871 /nfs/dbraw/zinc/53/48/71/942534871.db2.gz OCQZYFACFWSUOZ-ZIAGYGMSSA-N 0 0 415.544 4.293 20 5 HIBDRN CC1(C)CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)CC(C)(C)C1 ZINC000555508081 942610796 /nfs/dbraw/zinc/61/07/96/942610796.db2.gz XGIUVPROLXVZCL-MRXNPFEDSA-N 0 0 413.522 4.152 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000555566826 942647039 /nfs/dbraw/zinc/64/70/39/942647039.db2.gz UJYFUPRFHIOHMF-HXUWFJFHSA-N 0 0 409.438 4.149 20 5 HIBDRN CC(C)c1ccoc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000555811987 942741107 /nfs/dbraw/zinc/74/11/07/942741107.db2.gz OXIFEAXPLCXELM-UHFFFAOYSA-N 0 0 411.380 4.292 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000555868581 942759474 /nfs/dbraw/zinc/75/94/74/942759474.db2.gz CCDYUVUCENXRCQ-UHFFFAOYSA-N 0 0 401.220 4.308 20 5 HIBDRN C[C@H](NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000555929997 942774134 /nfs/dbraw/zinc/77/41/34/942774134.db2.gz XCJWJJFXTNXYCB-ZDUSSCGKSA-N 0 0 417.893 4.402 20 5 HIBDRN COc1cc(CN[C@H](c2ccccc2)C(C)(C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000556067770 942800952 /nfs/dbraw/zinc/80/09/52/942800952.db2.gz HMLAGPHTSUFWNS-GOSISDBHSA-N 0 0 410.417 4.054 20 5 HIBDRN CC1(C)C(=O)Nc2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)ccc21 ZINC000556081969 942802824 /nfs/dbraw/zinc/80/28/24/942802824.db2.gz YPLDYELOFQFJET-UHFFFAOYSA-N 0 0 421.375 4.029 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3ccc(N4CCCC4)nc3)no2)c1 ZINC000556279720 942831615 /nfs/dbraw/zinc/83/16/15/942831615.db2.gz PCWOCUKKHNPCIX-UHFFFAOYSA-N 0 0 405.336 4.326 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)c1 ZINC000556278804 942831621 /nfs/dbraw/zinc/83/16/21/942831621.db2.gz GMAULBXTZZSJJR-UHFFFAOYSA-N 0 0 420.347 4.167 20 5 HIBDRN C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)NCCc1cccs1 ZINC000556337190 942844271 /nfs/dbraw/zinc/84/42/71/942844271.db2.gz XWYHYGGMIIKCEU-JTQLQIEISA-N 0 0 415.334 4.258 20 5 HIBDRN COc1ccccc1C1(c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)CC1 ZINC000556360977 942850059 /nfs/dbraw/zinc/85/00/59/942850059.db2.gz CODGZKFVJDHCOR-UHFFFAOYSA-N 0 0 415.833 4.341 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000556456770 942873412 /nfs/dbraw/zinc/87/34/12/942873412.db2.gz LFYWENVKXAOHQU-QGZVFWFLSA-N 0 0 412.471 4.372 20 5 HIBDRN C[C@H](CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)c1cccc(F)c1 ZINC000556469679 942877540 /nfs/dbraw/zinc/87/75/40/942877540.db2.gz YTWAHKXBWJDTGA-SNVBAGLBSA-N 0 0 409.211 4.344 20 5 HIBDRN CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(F)cc1C ZINC000556480785 942880829 /nfs/dbraw/zinc/88/08/29/942880829.db2.gz AJWGZHUSPTYKSD-UHFFFAOYSA-N 0 0 412.320 4.073 20 5 HIBDRN Cc1cc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ccc1Cl ZINC000556548188 942896159 /nfs/dbraw/zinc/89/61/59/942896159.db2.gz IUFWVBQKIGXOKB-UHFFFAOYSA-N 0 0 403.866 4.109 20 5 HIBDRN Cc1cc(F)ccc1N1CCC[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556886596 942950768 /nfs/dbraw/zinc/95/07/68/942950768.db2.gz WZZPAERILZCAHZ-SIKLNZKXSA-N 0 0 423.492 4.124 20 5 HIBDRN C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000556885886 942951148 /nfs/dbraw/zinc/95/11/48/942951148.db2.gz IWMJARQGXOSHSY-AUUYWEPGSA-N 0 0 400.866 4.128 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC=C(c4cccnc4)C3)cc2[N+](=O)[O-])C1 ZINC000556885679 942951159 /nfs/dbraw/zinc/95/11/59/942951159.db2.gz ZBBHLVDRIHNGBD-QGZVFWFLSA-N 0 0 406.486 4.156 20 5 HIBDRN Cn1ccnc1[C@@H](NCC(C)(C)Oc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000556915745 942963967 /nfs/dbraw/zinc/96/39/67/942963967.db2.gz UBVIBQWSAGYOCK-IBGZPJMESA-N 0 0 416.428 4.143 20 5 HIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000556955758 942979057 /nfs/dbraw/zinc/97/90/57/942979057.db2.gz XYJVKKCSHMXZBX-KBPBESRZSA-N 0 0 419.466 4.769 20 5 HIBDRN C[C@]12CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C[C@H]1C2(F)F ZINC000557301629 943069077 /nfs/dbraw/zinc/06/90/77/943069077.db2.gz YDZITKYFUVZWSQ-UZLBHIALSA-N 0 0 404.363 4.077 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000557509566 943177574 /nfs/dbraw/zinc/17/75/74/943177574.db2.gz CMSFCWKRWFPGQD-SXLOBPIMSA-N 0 0 417.465 4.317 20 5 HIBDRN O=C(NCc1cc(F)c(F)cc1Br)c1c(Cl)cccc1[N+](=O)[O-] ZINC000557684788 943258445 /nfs/dbraw/zinc/25/84/45/943258445.db2.gz JUJWXMBXAZZWDL-UHFFFAOYSA-N 0 0 405.582 4.219 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000557741336 943275832 /nfs/dbraw/zinc/27/58/32/943275832.db2.gz KQSQDJJSVZGPGO-LBPRGKRZSA-N 0 0 405.380 4.279 20 5 HIBDRN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000557779743 943289190 /nfs/dbraw/zinc/28/91/90/943289190.db2.gz VSIVBKMHYWSXLI-ZIFCJYIRSA-N 0 0 400.500 4.154 20 5 HIBDRN O=C(CCc1ccccc1OC(F)(F)F)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000557844133 943311027 /nfs/dbraw/zinc/31/10/27/943311027.db2.gz JKZMNVWYZKWIEB-UHFFFAOYSA-N 0 0 420.347 4.250 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2nc3ccccc3n2CCCc2ccccc2)c1[N+](=O)[O-] ZINC000557929679 943330938 /nfs/dbraw/zinc/33/09/38/943330938.db2.gz LDGAXKLJFHOJON-UHFFFAOYSA-N 0 0 418.457 4.115 20 5 HIBDRN C/C=C\c1ccc(NC(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000557956965 943339880 /nfs/dbraw/zinc/33/98/80/943339880.db2.gz BPBSSTXGXMMXBN-UABKOXTMSA-N 0 0 413.499 4.118 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000557962948 943340974 /nfs/dbraw/zinc/34/09/74/943340974.db2.gz UHHVFVQQHACJMW-AWEZNQCLSA-N 0 0 409.408 4.429 20 5 HIBDRN CC(C)c1ccc(O[C@H](C)CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000557962974 943341166 /nfs/dbraw/zinc/34/11/66/943341166.db2.gz OIDPYDVHILHDIB-CQSZACIVSA-N 0 0 409.442 4.169 20 5 HIBDRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000557969174 943342250 /nfs/dbraw/zinc/34/22/50/943342250.db2.gz IQFOXUVRZKPPAN-NSHDSACASA-N 0 0 424.284 4.071 20 5 HIBDRN C[C@@H](Oc1cccc(Br)c1)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000557978991 943345022 /nfs/dbraw/zinc/34/50/22/943345022.db2.gz RFJBOAZUAXUKGV-GFCCVEGCSA-N 0 0 407.264 4.176 20 5 HIBDRN CCCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C1CCCCC1 ZINC000557977047 943345096 /nfs/dbraw/zinc/34/50/96/943345096.db2.gz DEGUQBKOWPMMMN-UHFFFAOYSA-N 0 0 412.490 4.024 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCOCc2ccccc2)cc1SC ZINC000557994217 943349681 /nfs/dbraw/zinc/34/96/81/943349681.db2.gz QSJMFVIEAFSZFY-AWEZNQCLSA-N 0 0 404.488 4.051 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000558011164 943354052 /nfs/dbraw/zinc/35/40/52/943354052.db2.gz DYOPNKSSUZIFDU-HLLBOEOZSA-N 0 0 418.540 4.103 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCN(c2ccccc2Cl)CC1 ZINC000558057093 943368827 /nfs/dbraw/zinc/36/88/27/943368827.db2.gz XDHHJLIYIHKWGA-UHFFFAOYSA-N 0 0 412.877 4.011 20 5 HIBDRN COc1ccc(CC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000558118147 943384781 /nfs/dbraw/zinc/38/47/81/943384781.db2.gz BFYMNCGDIUOBSA-MRXNPFEDSA-N 0 0 406.891 4.193 20 5 HIBDRN C[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Br)s1 ZINC000558152807 943398398 /nfs/dbraw/zinc/39/83/98/943398398.db2.gz XNTQGLWECIJJGE-JTQLQIEISA-N 0 0 422.304 4.363 20 5 HIBDRN COc1cc(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000558168220 943405862 /nfs/dbraw/zinc/40/58/62/943405862.db2.gz CSAOBMDYUIUQKH-SFHVURJKSA-N 0 0 412.364 4.076 20 5 HIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000558191734 943425622 /nfs/dbraw/zinc/42/56/22/943425622.db2.gz FUUSQAGPNNDTKE-UHFFFAOYSA-N 0 0 415.837 4.052 20 5 HIBDRN CCOc1cc(NC(=O)NCC2(c3ccccn3)CCC2)c([N+](=O)[O-])cc1OCC ZINC000558239205 943453538 /nfs/dbraw/zinc/45/35/38/943453538.db2.gz MSODUFBPKGYMET-UHFFFAOYSA-N 0 0 414.462 4.031 20 5 HIBDRN O=C1N[C@@H](Cc2ccccc2)C(=O)N1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000558284956 943483007 /nfs/dbraw/zinc/48/30/07/943483007.db2.gz OOQSFCKHUTUEHH-FQEVSTJZSA-N 0 0 403.394 4.055 20 5 HIBDRN Cc1cc(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000558574891 943604565 /nfs/dbraw/zinc/60/45/65/943604565.db2.gz VYSZMVUCIQZYOV-QGZVFWFLSA-N 0 0 410.348 4.016 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000558583222 943608330 /nfs/dbraw/zinc/60/83/30/943608330.db2.gz JGZZWEJFRTZYMV-UHFFFAOYSA-N 0 0 412.421 4.083 20 5 HIBDRN Cc1ccc(-n2nc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)c3c2CCCC3)cc1 ZINC000558592912 943611695 /nfs/dbraw/zinc/61/16/95/943611695.db2.gz RRPLMOICSSOTDU-UHFFFAOYSA-N 0 0 416.441 4.004 20 5 HIBDRN C[C@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000558694797 943629781 /nfs/dbraw/zinc/62/97/81/943629781.db2.gz UPIOHSPBIMMGQF-SWLSCSKDSA-N 0 0 408.285 4.400 20 5 HIBDRN COc1ccc(-c2nc(C)c(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000558712658 943632115 /nfs/dbraw/zinc/63/21/15/943632115.db2.gz VBOMQNMRFODCSM-UHFFFAOYSA-N 0 0 411.483 4.350 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000558774649 943657836 /nfs/dbraw/zinc/65/78/36/943657836.db2.gz ZUUQAXQJIQTPEJ-LLVKDONJSA-N 0 0 416.821 4.188 20 5 HIBDRN CCCC(C)(C)N(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000558813019 943674467 /nfs/dbraw/zinc/67/44/67/943674467.db2.gz XKMQXLZBTBMXFW-UHFFFAOYSA-N 0 0 424.544 4.281 20 5 HIBDRN O=c1cc(O)nc(SCc2cc([N+](=O)[O-])ccc2C(F)(F)F)n1C1CCCC1 ZINC000558831748 943684766 /nfs/dbraw/zinc/68/47/66/943684766.db2.gz OXPVDEXFNALDDK-UHFFFAOYSA-N 0 0 415.393 4.283 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000558853661 943701438 /nfs/dbraw/zinc/70/14/38/943701438.db2.gz RXOPZJQKQINTKK-SFHVURJKSA-N 0 0 424.375 4.226 20 5 HIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000558912055 943743508 /nfs/dbraw/zinc/74/35/08/943743508.db2.gz FTKDGZCLGZZHEW-INIZCTEOSA-N 0 0 407.474 4.034 20 5 HIBDRN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1=O ZINC000558982185 943783872 /nfs/dbraw/zinc/78/38/72/943783872.db2.gz CWTBUUNQNNDICE-VBKZILBWSA-N 0 0 408.433 4.446 20 5 HIBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000559095716 943836865 /nfs/dbraw/zinc/83/68/65/943836865.db2.gz HWYFUVILZDCCOB-DYESRHJHSA-N 0 0 421.501 4.476 20 5 HIBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccccc2)C1 ZINC000559100527 943839777 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HIBDRN Cc1nn(CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c(C)c1[N+](=O)[O-] ZINC000014911318 845992498 /nfs/dbraw/zinc/99/24/98/845992498.db2.gz XCFXKNYQPMPNGO-UHFFFAOYSA-N 0 0 405.867 4.132 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000015027189 846001786 /nfs/dbraw/zinc/00/17/86/846001786.db2.gz OZFVZSWPWRWRMJ-OAQYLSRUSA-N 0 0 411.458 4.067 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NCCCn3cnc4ccccc43)cc2[N+](=O)[O-])CC1 ZINC000015137439 846012772 /nfs/dbraw/zinc/01/27/72/846012772.db2.gz LTZLEDKEUBZDKQ-UHFFFAOYSA-N 0 0 421.501 4.001 20 5 HIBDRN COc1cc(CCNc2nc(C)nc3sc4c(c32)CCC4)c([N+](=O)[O-])cc1OC ZINC000015141900 846013548 /nfs/dbraw/zinc/01/35/48/846013548.db2.gz DHTZPXZGLFYXSD-UHFFFAOYSA-N 0 0 414.487 4.068 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)c(C)c1 ZINC000015206153 846018533 /nfs/dbraw/zinc/01/85/33/846018533.db2.gz BLZMLWGRFNXPCD-UHFFFAOYSA-N 0 0 412.471 4.020 20 5 HIBDRN O=[N+]([O-])c1cccc(OC[C@H](O)CSc2ncnc3sc4c(c32)CCCC4)c1 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C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)Nc1cccnc1Cl ZINC000018456673 846327495 /nfs/dbraw/zinc/32/74/95/846327495.db2.gz NAFGCPRFCYSPBH-LLVKDONJSA-N 0 0 405.838 4.125 20 5 HIBDRN Cc1cc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)no1 ZINC000018961835 846349397 /nfs/dbraw/zinc/34/93/97/846349397.db2.gz GHZBYHOOGKHJDV-UHFFFAOYSA-N 0 0 418.409 4.030 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1[N+](=O)[O-] ZINC000019006097 846351393 /nfs/dbraw/zinc/35/13/93/846351393.db2.gz LQBGZZYJEPEHHF-UHFFFAOYSA-N 0 0 421.457 4.231 20 5 HIBDRN CCOc1c(Br)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000019160906 846354474 /nfs/dbraw/zinc/35/44/74/846354474.db2.gz KWVHAPAQCAQUQY-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H]3CCSc4ccccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000020010579 846375056 /nfs/dbraw/zinc/37/50/56/846375056.db2.gz FSDWMKXHEUKBNR-IBGZPJMESA-N 0 0 422.510 4.423 20 5 HIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000020117527 846380633 /nfs/dbraw/zinc/38/06/33/846380633.db2.gz ISZXAMLMWZVVGU-OVCLIPMQSA-N 0 0 401.422 4.177 20 5 HIBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000020823546 846390668 /nfs/dbraw/zinc/39/06/68/846390668.db2.gz YLNXOPSZDCKTEJ-NRFANRHFSA-N 0 0 424.840 4.311 20 5 HIBDRN O=C(NCc1cccs1)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000020958160 846397103 /nfs/dbraw/zinc/39/71/03/846397103.db2.gz JLBQKEKWCNFBSM-UHFFFAOYSA-N 0 0 415.858 4.492 20 5 HIBDRN C[C@H](OC(=O)c1csc2c1CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021241239 846421052 /nfs/dbraw/zinc/42/10/52/846421052.db2.gz NLQMQWFZAUQFFX-JTQLQIEISA-N 0 0 408.863 4.373 20 5 HIBDRN Cc1c(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cccc1[N+](=O)[O-] ZINC000021441495 846444944 /nfs/dbraw/zinc/44/49/44/846444944.db2.gz SXRXOAQCCFMKRK-UHFFFAOYSA-N 0 0 408.380 4.172 20 5 HIBDRN O=C(CSc1ncc(C(F)(F)F)cc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000021550633 846460074 /nfs/dbraw/zinc/46/00/74/846460074.db2.gz PHVSRWOUYPDGDC-UHFFFAOYSA-N 0 0 417.796 4.343 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c1 ZINC000021615993 846471878 /nfs/dbraw/zinc/47/18/78/846471878.db2.gz YVQRPWKVOCEZLH-MRXNPFEDSA-N 0 0 411.439 4.314 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nnc1-c1cccs1 ZINC000021647674 846477899 /nfs/dbraw/zinc/47/78/99/846477899.db2.gz FKWKBQDPWDYVHE-GFCCVEGCSA-N 0 0 417.516 4.362 20 5 HIBDRN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000021831859 846499729 /nfs/dbraw/zinc/49/97/29/846499729.db2.gz FUYDGYACGUGSST-UHFFFAOYSA-N 0 0 402.410 4.235 20 5 HIBDRN COCCN(C(=O)CCc1ccsc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000021896030 846507651 /nfs/dbraw/zinc/50/76/51/846507651.db2.gz UUNYXFUVVMZPIE-UHFFFAOYSA-N 0 0 417.512 4.392 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)on1 ZINC000021904678 846509756 /nfs/dbraw/zinc/50/97/56/846509756.db2.gz OAXCVUMAEJSOPR-CYBMUJFWSA-N 0 0 421.475 4.213 20 5 HIBDRN COc1cc(COC(=O)c2ccc(F)cc2Cl)c([N+](=O)[O-])cc1OC(F)F ZINC000021976633 846516452 /nfs/dbraw/zinc/51/64/52/846516452.db2.gz YERAGLIAXZXRMM-UHFFFAOYSA-N 0 0 405.712 4.354 20 5 HIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000022162448 846538958 /nfs/dbraw/zinc/53/89/58/846538958.db2.gz VPKINVCUTGGKKC-TZMCWYRMSA-N 0 0 420.512 4.287 20 5 HIBDRN C[C@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000022171113 846539711 /nfs/dbraw/zinc/53/97/11/846539711.db2.gz PTTBYCOVDLNAFC-JTQLQIEISA-N 0 0 419.463 4.448 20 5 HIBDRN Cc1csc(CCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)n1 ZINC000436359625 861689453 /nfs/dbraw/zinc/68/94/53/861689453.db2.gz AQROPMPTVVOWHC-UHFFFAOYSA-N 0 0 409.486 4.338 20 5 HIBDRN O=C(CSc1ccccc1Cl)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000022208775 846545935 /nfs/dbraw/zinc/54/59/35/846545935.db2.gz YTSZEFMSMUSABU-UHFFFAOYSA-N 0 0 405.819 4.134 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000022435990 846570450 /nfs/dbraw/zinc/57/04/50/846570450.db2.gz MRCBLFNDPBCUHQ-QHCPKHFHSA-N 0 0 424.428 4.369 20 5 HIBDRN C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 ZINC000022444376 846571377 /nfs/dbraw/zinc/57/13/77/846571377.db2.gz NXVKOOGNYNUTJQ-MRXNPFEDSA-N 0 0 404.422 4.370 20 5 HIBDRN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000022468530 846575532 /nfs/dbraw/zinc/57/55/32/846575532.db2.gz LZESZMKABJTQES-AWEZNQCLSA-N 0 0 404.850 4.231 20 5 HIBDRN Cc1ccc(C)c(SCC(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000022477733 846577545 /nfs/dbraw/zinc/57/75/45/846577545.db2.gz FFNDOZGCXABBEI-OAHLLOKOSA-N 0 0 402.472 4.183 20 5 HIBDRN Cc1c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000022596829 846592738 /nfs/dbraw/zinc/59/27/38/846592738.db2.gz YQNAORYXZXSBLY-HNNXBMFYSA-N 0 0 401.850 4.048 20 5 HIBDRN Cc1cc(C(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)n1-c1nccs1 ZINC000022615328 846593937 /nfs/dbraw/zinc/59/39/37/846593937.db2.gz 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HIBDRN COc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000023390151 846693565 /nfs/dbraw/zinc/69/35/65/846693565.db2.gz DDPDPIIQUPAEHZ-UHFFFAOYSA-N 0 0 412.634 4.331 20 5 HIBDRN COc1ccc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000023403033 846694670 /nfs/dbraw/zinc/69/46/70/846694670.db2.gz MYMDTXLJSNTTEB-UHFFFAOYSA-N 0 0 404.488 4.080 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(COc3ccccc3F)n2-c2ccccc2)nc1 ZINC000023615264 846729256 /nfs/dbraw/zinc/72/92/56/846729256.db2.gz WZSJJWVSKTXCJM-UHFFFAOYSA-N 0 0 423.429 4.440 20 5 HIBDRN CN1CCc2nc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)sc2C1 ZINC000023608631 846729393 /nfs/dbraw/zinc/72/93/93/846729393.db2.gz ABSSWJJVCAIJSS-UHFFFAOYSA-N 0 0 409.471 4.035 20 5 HIBDRN O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000023660409 846737579 /nfs/dbraw/zinc/73/75/79/846737579.db2.gz RZZGNHALXRKVGK-UHFFFAOYSA-N 0 0 419.260 4.052 20 5 HIBDRN Cc1noc(C)c1CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000023656491 846737651 /nfs/dbraw/zinc/73/76/51/846737651.db2.gz HSODRJMJWSZQOS-UHFFFAOYSA-N 0 0 421.862 4.249 20 5 HIBDRN COC(=O)c1sc2[nH]c(C(Cl)=Cc3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000023779089 846749139 /nfs/dbraw/zinc/74/91/39/846749139.db2.gz UUZKXRFHVARVTM-WDZFZDKYSA-N 0 0 419.846 4.445 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc2c(cccc2F)[nH]1 ZINC000023877167 846754115 /nfs/dbraw/zinc/75/41/15/846754115.db2.gz ZVWXIILTRKBIKW-UHFFFAOYSA-N 0 0 410.327 4.076 20 5 HIBDRN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cnn(Cc3cccs3)c2n1 ZINC000023887206 846755179 /nfs/dbraw/zinc/75/51/79/846755179.db2.gz VWPGBKFUIFDIDA-UHFFFAOYSA-N 0 0 407.455 4.318 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2n[nH]c(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] ZINC000023966944 846764013 /nfs/dbraw/zinc/76/40/13/846764013.db2.gz IEXAKERNIBVASV-NSHDSACASA-N 0 0 417.878 4.461 20 5 HIBDRN Cc1ccc(-n2ccnc2SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000023967853 846764921 /nfs/dbraw/zinc/76/49/21/846764921.db2.gz OYDXEFZCJWQZEO-UHFFFAOYSA-N 0 0 408.483 4.079 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2nc(-c3cccs3)cs2)cc([N+](=O)[O-])c1 ZINC000024022434 846775983 /nfs/dbraw/zinc/77/59/83/846775983.db2.gz VHZTYORWSCEHPV-UHFFFAOYSA-N 0 0 403.441 4.209 20 5 HIBDRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024320901 846812866 /nfs/dbraw/zinc/81/28/66/846812866.db2.gz UHROUGNQUNXYBK-UHFFFAOYSA-N 0 0 402.863 4.473 20 5 HIBDRN O=C(CSc1nccn1Cc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000024458053 846827016 /nfs/dbraw/zinc/82/70/16/846827016.db2.gz JJUUMCAGKRQQHC-UHFFFAOYSA-N 0 0 402.863 4.224 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 ZINC000024476181 846829225 /nfs/dbraw/zinc/82/92/25/846829225.db2.gz BWUYQEJGTGEDGK-UHFFFAOYSA-N 0 0 415.452 4.421 20 5 HIBDRN Cc1cc(OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000024521139 846834145 /nfs/dbraw/zinc/83/41/45/846834145.db2.gz QKRNNKUAMYZIFZ-KRWDZBQOSA-N 0 0 411.439 4.314 20 5 HIBDRN Cc1[nH]c2ccccc2c1CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000024572674 846839462 /nfs/dbraw/zinc/83/94/62/846839462.db2.gz KABCIEAFQFCHNQ-UHFFFAOYSA-N 0 0 420.391 4.174 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000024620152 846844754 /nfs/dbraw/zinc/84/47/54/846844754.db2.gz FDZAMDYKBAPFIQ-SFHVURJKSA-N 0 0 418.877 4.380 20 5 HIBDRN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2cccc(Cl)c2s1 ZINC000436391049 861733218 /nfs/dbraw/zinc/73/32/18/861733218.db2.gz PWMKRPIPNCOKSS-UHFFFAOYSA-N 0 0 413.846 4.320 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024692660 846854348 /nfs/dbraw/zinc/85/43/48/846854348.db2.gz NUKHNMDLVAPMGV-QGZVFWFLSA-N 0 0 420.469 4.356 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000436383299 861726264 /nfs/dbraw/zinc/72/62/64/861726264.db2.gz CYDOIVVXCDVHER-SNVBAGLBSA-N 0 0 418.322 4.301 20 5 HIBDRN Cc1c(NC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000024750055 846862954 /nfs/dbraw/zinc/86/29/54/846862954.db2.gz LSHLVRHSQHGLBQ-UHFFFAOYSA-N 0 0 411.487 4.338 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000024900249 846885191 /nfs/dbraw/zinc/88/51/91/846885191.db2.gz OXOHJRFQVDKTQD-AWEZNQCLSA-N 0 0 422.466 4.361 20 5 HIBDRN C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000024969970 846899071 /nfs/dbraw/zinc/89/90/71/846899071.db2.gz NDTUUJRWLHALFJ-BZUAXINKSA-N 0 0 409.555 4.072 20 5 HIBDRN CSc1cccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000024997476 846901621 /nfs/dbraw/zinc/90/16/21/846901621.db2.gz BLCVSVICJGLRIZ-STQMWFEESA-N 0 0 420.512 4.368 20 5 HIBDRN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)CSc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000025062405 846914919 /nfs/dbraw/zinc/91/49/19/846914919.db2.gz GPGGBWJNDLVQFN-HNNXBMFYSA-N 0 0 402.472 4.183 20 5 HIBDRN COCCN(Cc1ccco1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000025094259 846925311 /nfs/dbraw/zinc/92/53/11/846925311.db2.gz BLYRGARGBVCPKO-UHFFFAOYSA-N 0 0 409.442 4.089 20 5 HIBDRN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000025149436 846933918 /nfs/dbraw/zinc/93/39/18/846933918.db2.gz LYRREIGWUZTNHB-UHFFFAOYSA-N 0 0 409.364 4.040 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000025177340 846936446 /nfs/dbraw/zinc/93/64/46/846936446.db2.gz GQNFGXCQXJILIS-GFCCVEGCSA-N 0 0 409.305 4.497 20 5 HIBDRN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1OC(F)F ZINC000025296746 846954089 /nfs/dbraw/zinc/95/40/89/846954089.db2.gz YJKGHLXGGKQNBN-CQSZACIVSA-N 0 0 419.428 4.290 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(C(=O)N(C)C)c3)cc2[N+](=O)[O-])C1 ZINC000025326279 846960141 /nfs/dbraw/zinc/96/01/41/846960141.db2.gz IFQZNXHSZBPBFA-IYBDPMFKSA-N 0 0 424.501 4.031 20 5 HIBDRN COc1cccc(-n2ccnc2S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000025366554 846968374 /nfs/dbraw/zinc/96/83/74/846968374.db2.gz 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O=C(CSc1nc2ccccc2n1C(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000025983828 847066822 /nfs/dbraw/zinc/06/68/22/847066822.db2.gz NBCYYZJPVBCRMD-UHFFFAOYSA-N 0 0 404.398 4.021 20 5 HIBDRN O=C(CN1CCC(CCc2ccc(O)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000026113583 847087793 /nfs/dbraw/zinc/08/77/93/847087793.db2.gz WUYZTDKHAHUJMA-UHFFFAOYSA-N 0 0 417.893 4.237 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000026117134 847089305 /nfs/dbraw/zinc/08/93/05/847089305.db2.gz ABGXZJDMXPVQNY-MRXNPFEDSA-N 0 0 411.458 4.078 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)COC(=O)c2c(C)cccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000026120363 847090556 /nfs/dbraw/zinc/09/05/56/847090556.db2.gz CNTIAHDSBMOGNC-OAQYLSRUSA-N 0 0 424.478 4.336 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000436406702 861753660 /nfs/dbraw/zinc/75/36/60/861753660.db2.gz JMTGFFQPLGASLT-CQSZACIVSA-N 0 0 419.306 4.188 20 5 HIBDRN CCOc1ccc(NC(=O)COC(=O)c2cc3ccc(F)cc3s2)c([N+](=O)[O-])c1 ZINC000026221710 847106046 /nfs/dbraw/zinc/10/60/46/847106046.db2.gz ZERJUPKYMAOFRG-UHFFFAOYSA-N 0 0 418.402 4.143 20 5 HIBDRN CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000026346551 847129289 /nfs/dbraw/zinc/12/92/89/847129289.db2.gz YZEARNBJZKDFDX-UHFFFAOYSA-N 0 0 406.467 4.192 20 5 HIBDRN CN(CC(=O)Nc1ccc(Br)cc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000026349109 847130298 /nfs/dbraw/zinc/13/02/98/847130298.db2.gz BIOABBDJBJQZGC-UHFFFAOYSA-N 0 0 412.671 4.081 20 5 HIBDRN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000026347597 847130396 /nfs/dbraw/zinc/13/03/96/847130396.db2.gz YNAMCBDDYBTHDJ-SFHVURJKSA-N 0 0 424.482 4.059 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)ccc1F ZINC000026347176 847130509 /nfs/dbraw/zinc/13/05/09/847130509.db2.gz KCALYGDPLRKJQK-UHFFFAOYSA-N 0 0 423.400 4.385 20 5 HIBDRN Cc1cccc(Cc2cnc(NC(=O)CN(C)Cc3ccccc3[N+](=O)[O-])s2)c1 ZINC000026349495 847131160 /nfs/dbraw/zinc/13/11/60/847131160.db2.gz PGHBQASKBWMMPK-UHFFFAOYSA-N 0 0 410.499 4.021 20 5 HIBDRN COc1ccccc1COC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436412700 861763012 /nfs/dbraw/zinc/76/30/12/861763012.db2.gz NERNAKFQTMLFOU-UHFFFAOYSA-N 0 0 411.380 4.203 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2ccc(C)cc2)o1 ZINC000026371615 847136569 /nfs/dbraw/zinc/13/65/69/847136569.db2.gz AGICSSLSQTYOBO-UHFFFAOYSA-N 0 0 414.443 4.083 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000026432295 847143421 /nfs/dbraw/zinc/14/34/21/847143421.db2.gz HKXUTMSPKIRGQP-UHFFFAOYSA-N 0 0 406.232 4.141 20 5 HIBDRN COc1cc(CSc2nccc(C(F)(F)F)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000026482871 847155736 /nfs/dbraw/zinc/15/57/36/847155736.db2.gz AOWJXXAUVIOCFP-UHFFFAOYSA-N 0 0 411.308 4.306 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000026495529 847158348 /nfs/dbraw/zinc/15/83/48/847158348.db2.gz OTADTWLLNMZAJW-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)N3CCN([C@@H](C)c4cccc([N+](=O)[O-])c4)CC3)n2)cc1 ZINC000026600321 847175981 /nfs/dbraw/zinc/17/59/81/847175981.db2.gz GWPOYQLZQNKEJC-ROUUACIJSA-N 0 0 421.501 4.393 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000026890055 847216494 /nfs/dbraw/zinc/21/64/94/847216494.db2.gz IYESJKKKLGLMOJ-HNNXBMFYSA-N 0 0 412.515 4.092 20 5 HIBDRN C[C@H](Nc1cccc(N2CCCCC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000027048304 847240283 /nfs/dbraw/zinc/24/02/83/847240283.db2.gz QUMZZBKPTDSCDF-ZDUSSCGKSA-N 0 0 416.865 4.204 20 5 HIBDRN C[C@H](OC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000027067857 847242605 /nfs/dbraw/zinc/24/26/05/847242605.db2.gz GPAZTJVHEDHFPZ-DVQDXYAYSA-N 0 0 408.454 4.151 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C2CC2)cccc1[N+](=O)[O-] ZINC000027277265 847276375 /nfs/dbraw/zinc/27/63/75/847276375.db2.gz IBUZGOAERGFAHY-CYBMUJFWSA-N 0 0 424.482 4.067 20 5 HIBDRN O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000027344290 847286173 /nfs/dbraw/zinc/28/61/73/847286173.db2.gz ZEYWTHFERFIKHW-QHCPKHFHSA-N 0 0 416.481 4.097 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000027407508 847299766 /nfs/dbraw/zinc/29/97/66/847299766.db2.gz UNJHGPYFWYRVJC-UHFFFAOYSA-N 0 0 423.391 4.437 20 5 HIBDRN COc1ccc(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000027459097 847306706 /nfs/dbraw/zinc/30/67/06/847306706.db2.gz LKWKYVANODEMOZ-UHFFFAOYSA-N 0 0 414.405 4.073 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000027498345 847313985 /nfs/dbraw/zinc/31/39/85/847313985.db2.gz JDRJPOTXRVORKV-MAUKXSAKSA-N 0 0 403.504 4.012 20 5 HIBDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000027601392 847325779 /nfs/dbraw/zinc/32/57/79/847325779.db2.gz AVROESBMPKMEBQ-UHFFFAOYSA-N 0 0 419.428 4.071 20 5 HIBDRN C[C@H](NC(=O)COC(=O)CSc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000027737514 847345852 /nfs/dbraw/zinc/34/58/52/847345852.db2.gz MYUZLMFUYLNXAO-HNNXBMFYSA-N 0 0 424.478 4.261 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1c(C)nn(-c2ccccc2)c1Cl ZINC000027820943 847354510 /nfs/dbraw/zinc/35/45/10/847354510.db2.gz NGAYPULEHRECTB-UHFFFAOYSA-N 0 0 401.806 4.108 20 5 HIBDRN CCn1cc(NC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cn1 ZINC000027923085 847364395 /nfs/dbraw/zinc/36/43/95/847364395.db2.gz OZBNFZXKVVWYOE-UHFFFAOYSA-N 0 0 410.455 4.016 20 5 HIBDRN CCOc1ccc(C(=O)OCC(=O)N[C@H](C)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000027935487 847366540 /nfs/dbraw/zinc/36/65/40/847366540.db2.gz PYWNQHCVXDZAOS-OAHLLOKOSA-N 0 0 422.437 4.181 20 5 HIBDRN C[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1Cl ZINC000027989509 847372179 /nfs/dbraw/zinc/37/21/79/847372179.db2.gz JXAZOYJCAOADHW-GFCCVEGCSA-N 0 0 404.806 4.241 20 5 HIBDRN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000028302336 847405003 /nfs/dbraw/zinc/40/50/03/847405003.db2.gz CXSLTPKTDWOQAK-UHFFFAOYSA-N 0 0 417.377 4.199 20 5 HIBDRN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000028393193 847414540 /nfs/dbraw/zinc/41/45/40/847414540.db2.gz YNIWSFZTQFUDDC-UHFFFAOYSA-N 0 0 420.903 4.472 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2Cl)c1 ZINC000028400586 847415688 /nfs/dbraw/zinc/41/56/88/847415688.db2.gz KZTGOLOJALNUPW-LLVKDONJSA-N 0 0 408.863 4.463 20 5 HIBDRN Cc1ccc(CCC(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000028498977 847430053 /nfs/dbraw/zinc/43/00/53/847430053.db2.gz SELYOMLZAVAPCI-AWEZNQCLSA-N 0 0 404.850 4.368 20 5 HIBDRN Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000028507329 847430965 /nfs/dbraw/zinc/43/09/65/847430965.db2.gz RIKCELTXPXYCJE-ZDUSSCGKSA-N 0 0 411.389 4.083 20 5 HIBDRN CS(=O)(=O)c1ccc(C(=O)Oc2ccc3oc4ccccc4c3c2)cc1[N+](=O)[O-] ZINC000028604629 847435305 /nfs/dbraw/zinc/43/53/05/847435305.db2.gz JOHJPOQXTHWXKA-UHFFFAOYSA-N 0 0 411.391 4.117 20 5 HIBDRN COc1ccc(C(=O)COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000028612788 847436848 /nfs/dbraw/zinc/43/68/48/847436848.db2.gz AUBCTQHLCOZBJJ-UHFFFAOYSA-N 0 0 420.421 4.255 20 5 HIBDRN COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cc(OC)c(O)cc2[N+](=O)[O-])c1 ZINC000028659991 847441877 /nfs/dbraw/zinc/44/18/77/847441877.db2.gz HHYNBKVWAWQGCF-OAQYLSRUSA-N 0 0 421.409 4.089 20 5 HIBDRN Cc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1-c1ccccc1 ZINC000028696811 847449862 /nfs/dbraw/zinc/44/98/62/847449862.db2.gz PLGJEFBAJHKNPF-LLVKDONJSA-N 0 0 417.878 4.257 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3N3CCCC3=O)cc2[N+](=O)[O-])C1 ZINC000028749366 847455445 /nfs/dbraw/zinc/45/54/45/847455445.db2.gz DWMVIRPPEOSZRC-INIZCTEOSA-N 0 0 422.485 4.210 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000028788014 847460650 /nfs/dbraw/zinc/46/06/50/847460650.db2.gz WKHXNSYRYRNEFB-UHFFFAOYSA-N 0 0 407.521 4.230 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000028799141 847461308 /nfs/dbraw/zinc/46/13/08/847461308.db2.gz JYEBBGHBFPOUSB-UHFFFAOYSA-N 0 0 423.498 4.151 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000028799138 847461680 /nfs/dbraw/zinc/46/16/80/847461680.db2.gz ZNYAUYDOUBICDR-UHFFFAOYSA-N 0 0 423.498 4.151 20 5 HIBDRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000028831449 847466192 /nfs/dbraw/zinc/46/61/92/847466192.db2.gz WMIYIYVWAFBCFY-UHFFFAOYSA-N 0 0 424.269 4.418 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(SC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000028879181 847471909 /nfs/dbraw/zinc/47/19/09/847471909.db2.gz UEYYEXIKKZVXOB-NSHDSACASA-N 0 0 410.398 4.402 20 5 HIBDRN O=C(NCc1coc(-c2cccs2)n1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000029075454 847500931 /nfs/dbraw/zinc/50/09/31/847500931.db2.gz CKSTVCDBJBIIAO-UHFFFAOYSA-N 0 0 408.233 4.004 20 5 HIBDRN COc1ccccc1Nc1nnc(Sc2nc3sccn3c2[N+](=O)[O-])s1 ZINC000029163434 847517271 /nfs/dbraw/zinc/51/72/71/847517271.db2.gz UCMHGUIUGRJYOU-UHFFFAOYSA-N 0 0 406.474 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4.252 20 5 HIBDRN CCN(Cc1cccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1)C(C)=O ZINC000031589482 847913074 /nfs/dbraw/zinc/91/30/74/847913074.db2.gz QBEZGAOAGUJCTB-AWEZNQCLSA-N 0 0 401.488 4.083 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1I ZINC000031663794 847925161 /nfs/dbraw/zinc/92/51/61/847925161.db2.gz ALHFIAFCYSSHTF-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000031811064 847953710 /nfs/dbraw/zinc/95/37/10/847953710.db2.gz GPKLYZQZIQBEAJ-UHFFFAOYSA-N 0 0 419.365 4.020 20 5 HIBDRN CC(C)C(=O)Nc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000031919258 847964887 /nfs/dbraw/zinc/96/48/87/847964887.db2.gz NUDJZKLMBLHRRM-UHFFFAOYSA-N 0 0 410.474 4.044 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000031960784 847971643 /nfs/dbraw/zinc/97/16/43/847971643.db2.gz LCRMDDQPBNBFHU-UHFFFAOYSA-N 0 0 420.512 4.042 20 5 HIBDRN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032056016 847982896 /nfs/dbraw/zinc/98/28/96/847982896.db2.gz RVOUVNDIOPFIQL-UHFFFAOYSA-N 0 0 420.425 4.464 20 5 HIBDRN COc1ccc(OC)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)n2)c1 ZINC000032062549 847983939 /nfs/dbraw/zinc/98/39/39/847983939.db2.gz UXAZNLGGULIQJO-UHFFFAOYSA-N 0 0 405.457 4.358 20 5 HIBDRN Cc1sc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1[N+](=O)[O-] ZINC000032060599 847984204 /nfs/dbraw/zinc/98/42/04/847984204.db2.gz LAAGNGVHHARJIA-UHFFFAOYSA-N 0 0 410.477 4.500 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccccc1[N+](=O)[O-] ZINC000032215823 847992259 /nfs/dbraw/zinc/99/22/59/847992259.db2.gz XWHQURBBYKIXOV-KRWDZBQOSA-N 0 0 423.425 4.063 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1cccs1)Cc1cccs1 ZINC000032406648 848020478 /nfs/dbraw/zinc/02/04/78/848020478.db2.gz YDUZFXDFTNEFKX-UHFFFAOYSA-N 0 0 424.525 4.118 20 5 HIBDRN COC(=O)c1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)s1 ZINC000032494036 848040280 /nfs/dbraw/zinc/04/02/80/848040280.db2.gz QHOMDVGWFNOJGY-UHFFFAOYSA-N 0 0 415.452 4.241 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)NCc2cccnc2N(C)C)cc1[N+](=O)[O-] ZINC000032686144 848063643 /nfs/dbraw/zinc/06/36/43/848063643.db2.gz JGBRCEKPCQMDBH-UHFFFAOYSA-N 0 0 402.520 4.124 20 5 HIBDRN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032682163 848064101 /nfs/dbraw/zinc/06/41/01/848064101.db2.gz IXHFIYJVWBLPAB-UHFFFAOYSA-N 0 0 404.348 4.072 20 5 HIBDRN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032917680 848091237 /nfs/dbraw/zinc/09/12/37/848091237.db2.gz DNJBBCGXWOFBAL-UHFFFAOYSA-N 0 0 420.425 4.464 20 5 HIBDRN O=C(Nc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1)c1ccc(F)cc1 ZINC000032970778 848097026 /nfs/dbraw/zinc/09/70/26/848097026.db2.gz JWWRAOSQBUJCMH-UHFFFAOYSA-N 0 0 405.385 4.189 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000033019013 848100802 /nfs/dbraw/zinc/10/08/02/848100802.db2.gz IUXHNZSEDAOKPL-HNNXBMFYSA-N 0 0 422.485 4.035 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)cc1OC ZINC000033125295 848111149 /nfs/dbraw/zinc/11/11/49/848111149.db2.gz PAPMRTPFZIRJNJ-UHFFFAOYSA-N 0 0 408.414 4.020 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C(F)(F)F)cc1 ZINC000033167689 848117921 /nfs/dbraw/zinc/11/79/21/848117921.db2.gz SGXHQBYHTSUMFC-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000033180094 848119930 /nfs/dbraw/zinc/11/99/30/848119930.db2.gz UJLQANGZNUKZPG-QZTJIDSGSA-N 0 0 422.510 4.483 20 5 HIBDRN CCOC(=O)COc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000033189177 848122574 /nfs/dbraw/zinc/12/25/74/848122574.db2.gz CNNUJCRRYCZEDO-UHFFFAOYSA-N 0 0 400.412 4.004 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000033193717 848123596 /nfs/dbraw/zinc/12/35/96/848123596.db2.gz QYRRPPBPJFVRNP-SNVBAGLBSA-N 0 0 400.909 4.429 20 5 HIBDRN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1C ZINC000036801948 848163805 /nfs/dbraw/zinc/16/38/05/848163805.db2.gz KNBPHZYIJFYGQF-UHFFFAOYSA-N 0 0 417.878 4.083 20 5 HIBDRN CCCCCN(C(=O)c1cc([N+](=O)[O-])ccc1I)C(C)C ZINC000038107206 848177462 /nfs/dbraw/zinc/17/74/62/848177462.db2.gz UXCQXHOMSXGCQG-UHFFFAOYSA-N 0 0 404.248 4.240 20 5 HIBDRN CC(C)[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000041239345 848208562 /nfs/dbraw/zinc/20/85/62/848208562.db2.gz FHIDAVPTVNHYQS-INIZCTEOSA-N 0 0 410.257 4.354 20 5 HIBDRN CCn1c(SCc2ccc(OC)c([N+](=O)[O-])c2)nc2sc(C)c(C)c2c1=O ZINC000042113224 848287040 /nfs/dbraw/zinc/28/70/40/848287040.db2.gz VFRJGEMSGOUPFM-UHFFFAOYSA-N 0 0 405.501 4.304 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N2CCC[C@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000042132515 848290615 /nfs/dbraw/zinc/29/06/15/848290615.db2.gz OSXSQVIVLVVSQU-HOTGVXAUSA-N 0 0 408.458 4.251 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1ccc(Br)o1 ZINC000042146548 848292970 /nfs/dbraw/zinc/29/29/70/848292970.db2.gz ZMUOJSAXCKKEJJ-SNVBAGLBSA-N 0 0 407.224 4.193 20 5 HIBDRN CN(Cc1csc(Br)c1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000042367066 848321454 /nfs/dbraw/zinc/32/14/54/848321454.db2.gz LCSFILAOMIQMQS-UHFFFAOYSA-N 0 0 407.087 4.213 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cccc(COCc2ccccc2)c1 ZINC000043092147 848382751 /nfs/dbraw/zinc/38/27/51/848382751.db2.gz WDSCDRPSYMDTEA-UHFFFAOYSA-N 0 0 406.438 4.007 20 5 HIBDRN CCc1cccc(CC)c1NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000043340698 848411030 /nfs/dbraw/zinc/41/10/30/848411030.db2.gz BJRFAEQRXKORCA-UHFFFAOYSA-N 0 0 401.463 4.101 20 5 HIBDRN CCOc1cc(NC(=O)N(C)Cc2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC ZINC000043838599 848475687 /nfs/dbraw/zinc/47/56/87/848475687.db2.gz HHBQDXPGMSJWMX-UHFFFAOYSA-N 0 0 409.389 4.334 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1[N+](=O)[O-] ZINC000044568330 848571039 /nfs/dbraw/zinc/57/10/39/848571039.db2.gz VDFMCTCBFOMMRC-UHFFFAOYSA-N 0 0 406.442 4.446 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])cc1OC ZINC000044693377 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LHCKFPBELAQAKC-HNNXBMFYSA-N 0 0 401.463 4.343 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)NCc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000045623337 848703622 /nfs/dbraw/zinc/70/36/22/848703622.db2.gz QZAQGEDJCOBFAI-UHFFFAOYSA-N 0 0 406.442 4.084 20 5 HIBDRN O=C(NCc1cccc(COCc2ccccc2)c1)NCc1ccccc1[N+](=O)[O-] ZINC000045623997 848703895 /nfs/dbraw/zinc/70/38/95/848703895.db2.gz SETYJGIQFURFML-UHFFFAOYSA-N 0 0 405.454 4.311 20 5 HIBDRN COC(=O)c1ccc(OCc2csc(COc3ccc(C)cc3)n2)c([N+](=O)[O-])c1 ZINC000045668860 848709991 /nfs/dbraw/zinc/70/99/91/848709991.db2.gz ABVPPNFYDMNOLJ-UHFFFAOYSA-N 0 0 414.439 4.304 20 5 HIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000045768754 848724938 /nfs/dbraw/zinc/72/49/38/848724938.db2.gz UJOYKYUMTUILFF-UHFFFAOYSA-N 0 0 407.430 4.017 20 5 HIBDRN O=C(NCc1ccnc(N2CCCC2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000045849829 848740258 /nfs/dbraw/zinc/74/02/58/848740258.db2.gz CRMCXLIOXVTXQI-UHFFFAOYSA-N 0 0 417.469 4.264 20 5 HIBDRN CC[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 ZINC000046040905 848777753 /nfs/dbraw/zinc/77/77/53/848777753.db2.gz NFAUGEHNUHEDMM-QGZVFWFLSA-N 0 0 402.882 4.231 20 5 HIBDRN COCCN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000046133245 848788426 /nfs/dbraw/zinc/78/84/26/848788426.db2.gz IODSTSTYUBWZSD-UHFFFAOYSA-N 0 0 403.866 4.111 20 5 HIBDRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCc1ccccc1[N+](=O)[O-] ZINC000046148952 848790417 /nfs/dbraw/zinc/79/04/17/848790417.db2.gz MELVWIWRHADZBE-UHFFFAOYSA-N 0 0 417.874 4.143 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H](c2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC000046169500 848793941 /nfs/dbraw/zinc/79/39/41/848793941.db2.gz VUAQOCNXBAVSJJ-OAQYLSRUSA-N 0 0 412.467 4.335 20 5 HIBDRN CCCn1c(C)c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c2cc(OC)ccc21 ZINC000046620422 848889206 /nfs/dbraw/zinc/88/92/06/848889206.db2.gz CZOJDZGNGICLBN-UHFFFAOYSA-N 0 0 410.474 4.118 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000046643098 848895433 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COCCOc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000050343148 849374929 /nfs/dbraw/zinc/37/49/29/849374929.db2.gz CIUXIPFNNKPNMA-UHFFFAOYSA-N 0 0 417.418 4.135 20 5 HIBDRN Cc1ccccc1-c1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n[nH]1 ZINC000051437686 849470620 /nfs/dbraw/zinc/47/06/20/849470620.db2.gz LDXJYGIQOYULRO-UHFFFAOYSA-N 0 0 408.461 4.492 20 5 HIBDRN COc1cc(CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1OC(F)F ZINC000052685820 849612532 /nfs/dbraw/zinc/61/25/32/849612532.db2.gz BPPQMHAFJOGOOG-UHFFFAOYSA-N 0 0 407.373 4.401 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c([N+](=O)[O-])cc1OC ZINC000052755682 849623549 /nfs/dbraw/zinc/62/35/49/849623549.db2.gz AEJIHBBGHNOLTL-CQSZACIVSA-N 0 0 406.435 4.108 20 5 HIBDRN Cn1cc(C(=O)Nc2nc(-c3cccs3)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052939567 849646620 /nfs/dbraw/zinc/64/66/20/849646620.db2.gz AHFFROLBPIZFJH-UHFFFAOYSA-N 0 0 411.468 4.433 20 5 HIBDRN Cn1cc(C(=O)Nc2ncc(Cc3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052976423 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850942729 /nfs/dbraw/zinc/94/27/29/850942729.db2.gz VYJKBBPAYQZXKK-UHFFFAOYSA-N 0 0 417.512 4.216 20 5 HIBDRN Cc1c(CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cccc1[N+](=O)[O-] ZINC000059011191 850980313 /nfs/dbraw/zinc/98/03/13/850980313.db2.gz ZMNAURXWIUEVMI-GOSISDBHSA-N 0 0 408.241 4.177 20 5 HIBDRN CCc1cc(Sc2nnc(-c3ccoc3C)n2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000059577596 851008102 /nfs/dbraw/zinc/00/81/02/851008102.db2.gz IQFHPUPXBLVAQX-UHFFFAOYSA-N 0 0 422.470 4.462 20 5 HIBDRN O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000059785727 851012232 /nfs/dbraw/zinc/01/22/32/851012232.db2.gz FVPXYOCSJMJDGW-UHFFFAOYSA-N 0 0 424.384 4.336 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000059967428 851028129 /nfs/dbraw/zinc/02/81/29/851028129.db2.gz YXJDTSRVEFPAIE-GFCCVEGCSA-N 0 0 407.264 4.117 20 5 HIBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000060450406 851103666 /nfs/dbraw/zinc/10/36/66/851103666.db2.gz 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851762482 /nfs/dbraw/zinc/76/24/82/851762482.db2.gz IKNYTYOALBPNOR-UHFFFAOYSA-N 0 0 410.243 4.228 20 5 HIBDRN O=C(c1cccc(COC2CCOCC2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437098959 862288320 /nfs/dbraw/zinc/28/83/20/862288320.db2.gz SYWXEDDITYHGHR-UHFFFAOYSA-N 0 0 410.470 4.095 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1-n1cccn1 ZINC000437099774 862288849 /nfs/dbraw/zinc/28/88/49/862288849.db2.gz RIRDDHHQDURUBK-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN COc1ccc(C2(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CCCC2)cc1 ZINC000064314573 851869612 /nfs/dbraw/zinc/86/96/12/851869612.db2.gz QWDLKGJASZIKEE-UHFFFAOYSA-N 0 0 423.513 4.406 20 5 HIBDRN O=C(c1cccc(I)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437106476 862293851 /nfs/dbraw/zinc/29/38/51/862293851.db2.gz HNDOIFZPMSYHQS-UHFFFAOYSA-N 0 0 422.222 4.004 20 5 HIBDRN CCc1ccccc1Nc1nc(N)nc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000064350379 851877786 /nfs/dbraw/zinc/87/77/86/851877786.db2.gz GCRUVOZIDNPSJG-UHFFFAOYSA-N 0 0 421.505 4.079 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000064419786 851893008 /nfs/dbraw/zinc/89/30/08/851893008.db2.gz ZANMMKRDAZGAFA-LLVKDONJSA-N 0 0 403.822 4.003 20 5 HIBDRN O=C(c1nn(-c2ccccc2)c2c1CCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437111040 862297305 /nfs/dbraw/zinc/29/73/05/862297305.db2.gz CLFORRZKRUICPY-UHFFFAOYSA-N 0 0 402.454 4.074 20 5 HIBDRN CCN(C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000437111948 862299387 /nfs/dbraw/zinc/29/93/87/862299387.db2.gz GNXLWZPYMMCKCF-GOSISDBHSA-N 0 0 418.465 4.481 20 5 HIBDRN O=C(NCc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)C1CCCC1 ZINC000437114387 862300755 /nfs/dbraw/zinc/30/07/55/862300755.db2.gz GRICOJPSQBLKPV-UHFFFAOYSA-N 0 0 421.497 4.206 20 5 HIBDRN CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000437115599 862302821 /nfs/dbraw/zinc/30/28/21/862302821.db2.gz ONYIPMWPIJTJET-FQEVSTJZSA-N 0 0 416.449 4.250 20 5 HIBDRN 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ZINC000301482415 854405203 /nfs/dbraw/zinc/40/52/03/854405203.db2.gz ZJWCCOPWCCONNF-IBGZPJMESA-N 0 0 408.502 4.220 20 5 HIBDRN CC(=O)c1ccc(N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c([N+](=O)[O-])c1 ZINC000301484397 854405214 /nfs/dbraw/zinc/40/52/14/854405214.db2.gz YMYNYBYLFAUNQC-QFIPXVFZSA-N 0 0 424.478 4.402 20 5 HIBDRN C[C@@H]1C[C@@H](c2ccccc2F)N(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000301482821 854405224 /nfs/dbraw/zinc/40/52/24/854405224.db2.gz XMRQHKBDMYGZQD-KUHUBIRLSA-N 0 0 408.433 4.286 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCCSC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301507918 854409766 /nfs/dbraw/zinc/40/97/66/854409766.db2.gz CAVAWXBBCCWVHQ-OAHLLOKOSA-N 0 0 421.544 4.320 20 5 HIBDRN CCn1c(Sc2ncc([N+](=O)[O-])cc2Br)nnc1-c1cccs1 ZINC000301525331 854412141 /nfs/dbraw/zinc/41/21/41/854412141.db2.gz IQVMNUIIFJOLKX-UHFFFAOYSA-N 0 0 412.294 4.243 20 5 HIBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000301522184 854412146 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410.861 4.177 20 5 HIBDRN CCOc1cc(N2CCO[C@H](c3ccccc3Br)C2)ccc1[N+](=O)[O-] ZINC000301537662 854415146 /nfs/dbraw/zinc/41/51/46/854415146.db2.gz RIIJTYIBHYADLC-SFHVURJKSA-N 0 0 407.264 4.334 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(Br)c1 ZINC000301542669 854417110 /nfs/dbraw/zinc/41/71/10/854417110.db2.gz OMVAICIHSUMWEE-AWEZNQCLSA-N 0 0 416.634 4.123 20 5 HIBDRN Cc1cc(N2CCCN(C(=O)CCc3ccccc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301557791 854420177 /nfs/dbraw/zinc/42/01/77/854420177.db2.gz IAKVTDDFPVDMAR-UHFFFAOYSA-N 0 0 401.894 4.228 20 5 HIBDRN CCOc1cc(N2CCO[C@H](c3cccc(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000301568430 854421910 /nfs/dbraw/zinc/42/19/10/854421910.db2.gz ZRQKKHPIXOMMOO-SFHVURJKSA-N 0 0 407.264 4.334 20 5 HIBDRN COc1cc(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c([N+](=O)[O-])cc1F ZINC000301612117 854429794 /nfs/dbraw/zinc/42/97/94/854429794.db2.gz FNVQYDKBLVJRJK-CYBMUJFWSA-N 0 0 416.384 4.316 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCO[C@H](c2cccs2)C1 ZINC000301635594 854434430 /nfs/dbraw/zinc/43/44/30/854434430.db2.gz FAYAWADJEDQCPA-LBPRGKRZSA-N 0 0 403.338 4.161 20 5 HIBDRN Cc1nc(Sc2nnc(-c3ccncc3)n2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301659002 854439336 /nfs/dbraw/zinc/43/93/36/854439336.db2.gz SWYNNPXZAKSQTM-UHFFFAOYSA-N 0 0 404.455 4.151 20 5 HIBDRN Cc1nc(N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000301663326 854439810 /nfs/dbraw/zinc/43/98/10/854439810.db2.gz NKAXHKYXWYTRGE-HNNXBMFYSA-N 0 0 408.380 4.093 20 5 HIBDRN COc1ccc(-n2c(Sc3ccc([N+](=O)[O-])c(C)n3)nnc2-c2ccncc2)cc1 ZINC000301672704 854442062 /nfs/dbraw/zinc/44/20/62/854442062.db2.gz ZQYFGNXRTCSLKO-UHFFFAOYSA-N 0 0 420.454 4.101 20 5 HIBDRN Cc1cc(C)c(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])c(C)c1 ZINC000301677285 854442787 /nfs/dbraw/zinc/44/27/87/854442787.db2.gz QJUDBDGRCZGDAH-UHFFFAOYSA-N 0 0 406.280 4.357 20 5 HIBDRN Cc1ccccc1C1(CNc2ncc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000301682242 854443406 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20 5 HIBDRN Cn1c(COc2ccc(Cl)cc2)nnc1Sc1c(F)cc([N+](=O)[O-])cc1F ZINC000301798008 854466894 /nfs/dbraw/zinc/46/68/94/854466894.db2.gz RLWBTCFKPAIOKK-UHFFFAOYSA-N 0 0 412.805 4.385 20 5 HIBDRN CCO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C12CCCCC2 ZINC000301800172 854467405 /nfs/dbraw/zinc/46/74/05/854467405.db2.gz VXYJMBRUXSHEFS-UXHICEINSA-N 0 0 401.507 4.371 20 5 HIBDRN CC(C)NC(=O)c1ccc(N2CC[C@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000301823165 854471355 /nfs/dbraw/zinc/47/13/55/854471355.db2.gz CILZBBMSHKDNFM-KRWDZBQOSA-N 0 0 403.866 4.044 20 5 HIBDRN O=[N+]([O-])c1cccc2c1CCN(c1cc(C(F)(F)F)nc(-c3cccnc3)n1)C2 ZINC000301834329 854472927 /nfs/dbraw/zinc/47/29/27/854472927.db2.gz SSBQJUNVNNLNIA-UHFFFAOYSA-N 0 0 401.348 4.028 20 5 HIBDRN Cc1cccc([C@@H](Nc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])c2ccccn2)c1 ZINC000301856153 854476765 /nfs/dbraw/zinc/47/67/65/854476765.db2.gz BZUYYBWWTLMNRK-LJQANCHMSA-N 0 0 408.414 4.209 20 5 HIBDRN 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ZINC000301876207 854482535 /nfs/dbraw/zinc/48/25/35/854482535.db2.gz MWLMBJOSDLTZLB-UHFFFAOYSA-N 0 0 400.442 4.084 20 5 HIBDRN O=C(NC1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1)c1ccsc1 ZINC000301878133 854483255 /nfs/dbraw/zinc/48/32/55/854483255.db2.gz NYQWRKMGGBAZET-UHFFFAOYSA-N 0 0 408.483 4.117 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(Nc2ccc([N+](=O)[O-])c3cccnc23)c1)n1cccn1 ZINC000301915815 854491320 /nfs/dbraw/zinc/49/13/20/854491320.db2.gz AFQPANZNSMMRPD-CQSZACIVSA-N 0 0 402.414 4.283 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N1CCC(OCc2ccccc2F)CC1 ZINC000301921499 854493328 /nfs/dbraw/zinc/49/33/28/854493328.db2.gz JMHDOFBJGHUZFW-UHFFFAOYSA-N 0 0 410.243 4.077 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000301929871 854495791 /nfs/dbraw/zinc/49/57/91/854495791.db2.gz NXUWJEGMRVEYMP-MRXNPFEDSA-N 0 0 403.211 4.488 20 5 HIBDRN Cc1cccc(NC(=O)Nc2cccc(CNc3ccc4ncc([N+](=O)[O-])n4n3)c2)c1 ZINC000301953397 854503257 /nfs/dbraw/zinc/50/32/57/854503257.db2.gz 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COC(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2Br)nc1C1CC1 ZINC000302026175 854518228 /nfs/dbraw/zinc/51/82/28/854518228.db2.gz KZXZRCIVJDNUNN-UHFFFAOYSA-N 0 0 406.236 4.028 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000302049258 854521557 /nfs/dbraw/zinc/52/15/57/854521557.db2.gz OGKOXVDTKJVMLN-SSDOTTSWSA-N 0 0 422.205 4.301 20 5 HIBDRN Cc1cc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)ccc1Cl ZINC000302122905 854534290 /nfs/dbraw/zinc/53/42/90/854534290.db2.gz GZSCGLWETJALCT-UHFFFAOYSA-N 0 0 405.241 4.368 20 5 HIBDRN C[C@@H](CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1nccs1 ZINC000302135401 854535570 /nfs/dbraw/zinc/53/55/70/854535570.db2.gz MFENSPDWYPZSAY-ZDUSSCGKSA-N 0 0 418.500 4.068 20 5 HIBDRN O=C1CCc2cc(Nc3ncc([N+](=O)[O-])cn3)ccc2N1Cc1ccc(Cl)cc1 ZINC000302145658 854537351 /nfs/dbraw/zinc/53/73/51/854537351.db2.gz HRYNZYKIKZRJMP-UHFFFAOYSA-N 0 0 409.833 4.261 20 5 HIBDRN Cc1cccc(C)c1NC(=O)CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000302154169 854538781 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424.501 4.210 20 5 HIBDRN CSc1cccc(F)c1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409587155 855554611 /nfs/dbraw/zinc/55/46/11/855554611.db2.gz STSBDQQFLUVSKP-UHFFFAOYSA-N 0 0 417.384 4.317 20 5 HIBDRN CCCn1nccc1C1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000409639387 855577045 /nfs/dbraw/zinc/57/70/45/855577045.db2.gz CSKADGUJPGFVJP-UHFFFAOYSA-N 0 0 408.300 4.051 20 5 HIBDRN CNC(=O)c1ccc(N2CCC(c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 ZINC000409643085 855578677 /nfs/dbraw/zinc/57/86/77/855578677.db2.gz FRRZGWFBVRQYOF-UHFFFAOYSA-N 0 0 418.291 4.101 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCOc4c(Br)cccc43)cc2N1 ZINC000409648793 855582198 /nfs/dbraw/zinc/58/21/98/855582198.db2.gz MJUHGEJHBQNRCM-ZDUSSCGKSA-N 0 0 418.247 4.178 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000437386439 862704923 /nfs/dbraw/zinc/70/49/23/862704923.db2.gz BKGGFYJQMWAEGP-QGTPRVQTSA-N 0 0 404.413 4.437 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(F)cc1OCCC(F)(F)F ZINC000409864663 855694178 /nfs/dbraw/zinc/69/41/78/855694178.db2.gz OKGPQJPECWMZLO-UHFFFAOYSA-N 0 0 415.343 4.424 20 5 HIBDRN COc1cc(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000409877245 855701561 /nfs/dbraw/zinc/70/15/61/855701561.db2.gz MZUADSGKEOWAFS-UHFFFAOYSA-N 0 0 412.414 4.467 20 5 HIBDRN C[C@@H](Cc1nnc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000410023950 855784443 /nfs/dbraw/zinc/78/44/43/855784443.db2.gz BSBRWPVVDTVGOT-AWEZNQCLSA-N 0 0 412.471 4.445 20 5 HIBDRN O=C(Nc1c(F)cccc1Oc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000410034948 855789462 /nfs/dbraw/zinc/78/94/62/855789462.db2.gz SNWORXHVBYLVJR-UHFFFAOYSA-N 0 0 419.372 4.359 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000410042938 855794311 /nfs/dbraw/zinc/79/43/11/855794311.db2.gz FUSSJNVVDOVOEH-QFIPXVFZSA-N 0 0 403.438 4.143 20 5 HIBDRN COc1ccc(CN(CC2CC2)C(=O)Nc2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000410054611 855803428 /nfs/dbraw/zinc/80/34/28/855803428.db2.gz LJNKJFYQYWKCRM-UHFFFAOYSA-N 0 0 403.410 4.195 20 5 HIBDRN C[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000410149551 855839800 /nfs/dbraw/zinc/83/98/00/855839800.db2.gz WJJYWMIJXNGNDP-AWEZNQCLSA-N 0 0 422.407 4.206 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000410193226 855856576 /nfs/dbraw/zinc/85/65/76/855856576.db2.gz SOCDEFSWWVZIKO-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410222714 855868249 /nfs/dbraw/zinc/86/82/49/855868249.db2.gz ZFSGTBOTROIZTK-UHFFFAOYSA-N 0 0 402.813 4.226 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(N4CCC4=O)cc3)cc2[N+](=O)[O-])C1 ZINC000410247623 855880608 /nfs/dbraw/zinc/88/06/08/855880608.db2.gz TUFHLZPMTOITAN-IYBDPMFKSA-N 0 0 422.485 4.066 20 5 HIBDRN CCCn1nccc1C1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000410264203 855889314 /nfs/dbraw/zinc/88/93/14/855889314.db2.gz GNKRRBOJDIKZPR-HNNXBMFYSA-N 0 0 402.520 4.088 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(N2CCc3ccccc32)CC1 ZINC000410267120 855891207 /nfs/dbraw/zinc/89/12/07/855891207.db2.gz FXRQISMKFLJRMY-UHFFFAOYSA-N 0 0 419.403 4.281 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000410267716 855892010 /nfs/dbraw/zinc/89/20/10/855892010.db2.gz SAANCTMFEAEMIS-CVEARBPZSA-N 0 0 414.531 4.014 20 5 HIBDRN CCCn1nccc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC)CC1 ZINC000410269277 855892823 /nfs/dbraw/zinc/89/28/23/855892823.db2.gz CURHXAJIFACJOF-UHFFFAOYSA-N 0 0 402.520 4.333 20 5 HIBDRN CSc1ccccc1[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000410273153 855894403 /nfs/dbraw/zinc/89/44/03/855894403.db2.gz VCWAWEQKHZEOHY-LLVKDONJSA-N 0 0 409.305 4.499 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)(F)F)C2CCCC2)c(C(F)(F)F)c1 ZINC000410321426 855927830 /nfs/dbraw/zinc/92/78/30/855927830.db2.gz MIIRCPCQJJHEDQ-UHFFFAOYSA-N 0 0 420.331 4.109 20 5 HIBDRN Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000410327721 855930460 /nfs/dbraw/zinc/93/04/60/855930460.db2.gz RITIIIYYRYEVMG-HXUWFJFHSA-N 0 0 405.458 4.439 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000410389177 855967561 /nfs/dbraw/zinc/96/75/61/855967561.db2.gz CTTMDDXXXBTSLI-UHFFFAOYSA-N 0 0 401.316 4.359 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000410409233 855981061 /nfs/dbraw/zinc/98/10/61/855981061.db2.gz WMIUWSJBVNKMST-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN CCOc1ccc(C(=O)N(C)C)cc1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000425935501 856008201 /nfs/dbraw/zinc/00/82/01/856008201.db2.gz DOZONCSNUPLFER-UHFFFAOYSA-N 0 0 401.463 4.095 20 5 HIBDRN O=[N+]([O-])c1ccn(C2CCN(Cc3cc(Br)c(Cl)s3)CC2)n1 ZINC000425972267 856024644 /nfs/dbraw/zinc/02/46/44/856024644.db2.gz XLWIWPCOLHORHV-UHFFFAOYSA-N 0 0 405.705 4.106 20 5 HIBDRN COC(=O)c1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc2[nH]ccc21 ZINC000425983367 856029831 /nfs/dbraw/zinc/02/98/31/856029831.db2.gz UROBFPUCAGIOBD-UHFFFAOYSA-N 0 0 419.846 4.247 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000426041873 856067161 /nfs/dbraw/zinc/06/71/61/856067161.db2.gz AIVXYNBYQWUQOJ-HNNXBMFYSA-N 0 0 413.474 4.437 20 5 HIBDRN COCCOc1c(Cl)cccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426082100 856094768 /nfs/dbraw/zinc/09/47/68/856094768.db2.gz WPHJLPGSXVLJFT-UHFFFAOYSA-N 0 0 419.865 4.470 20 5 HIBDRN COc1cc(Br)ccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000426085378 856097118 /nfs/dbraw/zinc/09/71/18/856097118.db2.gz NATFMEVZQWPYII-UHFFFAOYSA-N 0 0 414.643 4.341 20 5 HIBDRN O=C(Nc1cccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1)C1CCCCC1 ZINC000426205343 856174451 /nfs/dbraw/zinc/17/44/51/856174451.db2.gz LMSHDCIGUWVPCI-OAQYLSRUSA-N 0 0 422.485 4.331 20 5 HIBDRN Cc1nc([C@H]2CCCN2C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cs1 ZINC000426259365 856207107 /nfs/dbraw/zinc/20/71/07/856207107.db2.gz XVXYKUQVCMKJHM-OAHLLOKOSA-N 0 0 414.409 4.425 20 5 HIBDRN CCO[C@@H]1C[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C12CCC2 ZINC000426265051 856210094 /nfs/dbraw/zinc/21/00/94/856210094.db2.gz SRTDNMRKDXRDDE-JKSUJKDBSA-N 0 0 415.412 4.103 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000426268388 856211570 /nfs/dbraw/zinc/21/15/70/856211570.db2.gz SGBIRUQMAJPKDM-HNNXBMFYSA-N 0 0 407.392 4.388 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000426274752 856214377 /nfs/dbraw/zinc/21/43/77/856214377.db2.gz BFIBGVYEDRLZCR-CQSZACIVSA-N 0 0 411.355 4.452 20 5 HIBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426274810 856214882 /nfs/dbraw/zinc/21/48/82/856214882.db2.gz DLLGADRBJQYXMX-DZGCQCFKSA-N 0 0 405.442 4.429 20 5 HIBDRN Cn1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c(C(C)(C)C)n1 ZINC000426275536 856215817 /nfs/dbraw/zinc/21/58/17/856215817.db2.gz DCFIGWOOMDTKKF-UHFFFAOYSA-N 0 0 408.458 4.457 20 5 HIBDRN O=C(NCCCNc1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426288055 856222542 /nfs/dbraw/zinc/22/25/42/856222542.db2.gz CGWZMZBYIUPYKT-UHFFFAOYSA-N 0 0 405.454 4.406 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H]2CSc3ccc(Br)cc32)cccc1[N+](=O)[O-] ZINC000426394034 856273358 /nfs/dbraw/zinc/27/33/58/856273358.db2.gz CBKORXOFIAJUIF-CQSZACIVSA-N 0 0 422.304 4.312 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)[C@H]3OCCc4sccc43)n2)c1 ZINC000426404915 856276600 /nfs/dbraw/zinc/27/66/00/856276600.db2.gz KPEGJMLGPYJXCG-ADLMAVQZSA-N 0 0 401.444 4.056 20 5 HIBDRN COc1cc(F)c([C@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000426528533 856334996 /nfs/dbraw/zinc/33/49/96/856334996.db2.gz ZPTYAEZTTRVIAD-ZDUSSCGKSA-N 0 0 417.437 4.186 20 5 HIBDRN COCCN(Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)Cc1scnc1C ZINC000426562669 856349792 /nfs/dbraw/zinc/34/97/92/856349792.db2.gz URYGAWJZEGLIID-UHFFFAOYSA-N 0 0 417.487 4.277 20 5 HIBDRN CN(C)c1nc2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc2o1 ZINC000426595305 856365258 /nfs/dbraw/zinc/36/52/58/856365258.db2.gz JJJDBWYVZYPTDK-UHFFFAOYSA-N 0 0 409.427 4.178 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccccc1)c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000426595240 856365320 /nfs/dbraw/zinc/36/53/20/856365320.db2.gz XHWXKUYGFVANPR-GOSISDBHSA-N 0 0 408.458 4.431 20 5 HIBDRN CN(C)c1nc2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2o1 ZINC000426625996 856379268 /nfs/dbraw/zinc/37/92/68/856379268.db2.gz QERPCKNEYKPNKJ-UHFFFAOYSA-N 0 0 409.427 4.178 20 5 HIBDRN C[C@@H](CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000426653586 856394348 /nfs/dbraw/zinc/39/43/48/856394348.db2.gz DEDHVJRPCJFHDW-INIZCTEOSA-N 0 0 408.458 4.038 20 5 HIBDRN O=C([O-])c1ccc(N2CCC([NH2+]Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 ZINC000426658105 856397040 /nfs/dbraw/zinc/39/70/40/856397040.db2.gz VKERLSFEIUBSLA-UHFFFAOYSA-N 0 0 421.453 4.312 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+]C[C@@H](Cc3ccccc3C)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426659338 856398649 /nfs/dbraw/zinc/39/86/49/856398649.db2.gz DPACERXAODXKIM-QGZVFWFLSA-N 0 0 424.453 4.205 20 5 HIBDRN CC(C)C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)[O-] ZINC000426666148 856401750 /nfs/dbraw/zinc/40/17/50/856401750.db2.gz OKHHDMMYEJXYDD-HNNXBMFYSA-N 0 0 411.252 4.206 20 5 HIBDRN O=C(NCc1nc2cc(F)ccc2[nH]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426704300 856422335 /nfs/dbraw/zinc/42/23/35/856422335.db2.gz QLSQLYHKNCCBFZ-UHFFFAOYSA-N 0 0 420.400 4.119 20 5 HIBDRN O=C([O-])C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 ZINC000426704898 856422457 /nfs/dbraw/zinc/42/24/57/856422457.db2.gz UDOINBBGTKZYTI-LBPRGKRZSA-N 0 0 414.792 4.198 20 5 HIBDRN C[C@@H]1CCCN(C(=O)c2ccc(C(=O)N3CCC[C@H](C)[C@H]3C)c([N+](=O)[O-])c2)[C@H]1C ZINC000426769509 856467983 /nfs/dbraw/zinc/46/79/83/856467983.db2.gz JMUXQBVDHODRFP-LTIDMASMSA-N 0 0 401.507 4.116 20 5 HIBDRN COc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000437428604 862802870 /nfs/dbraw/zinc/80/28/70/862802870.db2.gz OQKCLTIGHQEVSX-XYPYZODXSA-N 0 0 410.348 4.020 20 5 HIBDRN COc1cc(NC2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cc(OC)c1 ZINC000426891113 856528849 /nfs/dbraw/zinc/52/88/49/856528849.db2.gz NSLVNGLSGNNZSG-UHFFFAOYSA-N 0 0 423.416 4.294 20 5 HIBDRN CS(=O)(=O)c1ccc(N[C@@H](COc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000426895009 856531185 /nfs/dbraw/zinc/53/11/85/856531185.db2.gz FOYJCWMATTVWMO-FQEVSTJZSA-N 0 0 412.467 4.231 20 5 HIBDRN CCOc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1CO ZINC000427052893 856612030 /nfs/dbraw/zinc/61/20/30/856612030.db2.gz HTXARTVLCXWVBU-UHFFFAOYSA-N 0 0 422.437 4.317 20 5 HIBDRN O=C(NCCC[C@H]1CCCC[C@H]1O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427059618 856615084 /nfs/dbraw/zinc/61/50/84/856615084.db2.gz BJJXDTZZZBEUPG-XMSQKQJNSA-N 0 0 412.486 4.235 20 5 HIBDRN Cc1cnc([C@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 ZINC000427081068 856625707 /nfs/dbraw/zinc/62/57/07/856625707.db2.gz PUQLPSIGRKKNFP-KGLIPLIRSA-N 0 0 411.487 4.419 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C)nn1-c1cccc(C(F)(F)F)c1 ZINC000427109582 856644119 /nfs/dbraw/zinc/64/41/19/856644119.db2.gz HQNAEMRQXKNGTF-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)n1 ZINC000427134015 856660044 /nfs/dbraw/zinc/66/00/44/856660044.db2.gz UZMLAQGGKZXHSA-UHFFFAOYSA-N 0 0 419.363 4.123 20 5 HIBDRN Cc1c[nH]c(-c2ccccc2NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000427186032 856699076 /nfs/dbraw/zinc/69/90/76/856699076.db2.gz QAGXDQJEXXEKHU-UHFFFAOYSA-N 0 0 400.822 4.354 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000427261426 856741719 /nfs/dbraw/zinc/74/17/19/856741719.db2.gz XPHBHOYJPNQOAW-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Br)cc2nc(C)oc21 ZINC000427338628 856780460 /nfs/dbraw/zinc/78/04/60/856780460.db2.gz QEFBDKDLAUMLLA-UHFFFAOYSA-N 0 0 406.192 4.068 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 ZINC000427354099 856788684 /nfs/dbraw/zinc/78/86/84/856788684.db2.gz GCPZAZKUWGVFOX-UHFFFAOYSA-N 0 0 412.833 4.184 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000427387884 856803229 /nfs/dbraw/zinc/80/32/29/856803229.db2.gz WVICUWVATIVRDQ-CQSZACIVSA-N 0 0 420.290 4.238 20 5 HIBDRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427385880 856803344 /nfs/dbraw/zinc/80/33/44/856803344.db2.gz AGBRIAJLBYYNRQ-HNNXBMFYSA-N 0 0 413.474 4.100 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Br)ccc1OC(C)C ZINC000427393561 856804811 /nfs/dbraw/zinc/80/48/11/856804811.db2.gz ALBQKUOYSVRAMS-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN O=C(Nc1cccc(Oc2ccccn2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000437478131 862838243 /nfs/dbraw/zinc/83/82/43/862838243.db2.gz YBKFXJXUGUGFPX-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000427423243 856813903 /nfs/dbraw/zinc/81/39/03/856813903.db2.gz ZCYBVNPTQQWRAJ-UHFFFAOYSA-N 0 0 411.458 4.180 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000427440179 856820927 /nfs/dbraw/zinc/82/09/27/856820927.db2.gz XNYSYHBSEJJHNG-NRFANRHFSA-N 0 0 401.422 4.004 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000437481494 862840137 /nfs/dbraw/zinc/84/01/37/862840137.db2.gz AYAJGOGYLHECRX-CVDCTZTESA-N 0 0 411.502 4.379 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000427452843 856826824 /nfs/dbraw/zinc/82/68/24/856826824.db2.gz LZBNLQYLKOAMKM-UHFFFAOYSA-N 0 0 415.421 4.011 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000427469780 856835083 /nfs/dbraw/zinc/83/50/83/856835083.db2.gz NWNLSKVNGQUSLI-CQSZACIVSA-N 0 0 412.421 4.020 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 ZINC000427473932 856836057 /nfs/dbraw/zinc/83/60/57/856836057.db2.gz NZXBCDVGIKMMON-UHFFFAOYSA-N 0 0 418.409 4.082 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccc([N+](=O)[O-])cc4OC)CC3)c2c1 ZINC000427508842 856845517 /nfs/dbraw/zinc/84/55/17/856845517.db2.gz GBAZWGCYXQIJJG-UHFFFAOYSA-N 0 0 407.426 4.023 20 5 HIBDRN Cc1cc(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1-c1ccccc1 ZINC000427508360 856845680 /nfs/dbraw/zinc/84/56/80/856845680.db2.gz AHMLFKSBVNKSSA-UHFFFAOYSA-N 0 0 423.856 4.479 20 5 HIBDRN C/C(=C/c1ccccc1)CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000427560275 856866160 /nfs/dbraw/zinc/86/61/60/856866160.db2.gz RWBLQKYTHBLECT-SLYOHQAMSA-N 0 0 421.497 4.070 20 5 HIBDRN O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000427561278 856866833 /nfs/dbraw/zinc/86/68/33/856866833.db2.gz BJHOUMKSEGRNEB-YCRPNKLZSA-N 0 0 414.483 4.172 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)c(F)c2)n1 ZINC000427603172 856885050 /nfs/dbraw/zinc/88/50/50/856885050.db2.gz UBUVNOHUHRIKTO-UHFFFAOYSA-N 0 0 414.393 4.312 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000427605160 856885330 /nfs/dbraw/zinc/88/53/30/856885330.db2.gz WUZXIHHSYMGEKL-AWEZNQCLSA-N 0 0 406.822 4.067 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)cc([N+](=O)[O-])c1 ZINC000437493419 862851137 /nfs/dbraw/zinc/85/11/37/862851137.db2.gz FPFMCSOPXQVBQS-SCLBCKFNSA-N 0 0 400.431 4.286 20 5 HIBDRN Cc1nnc(N(C)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)s1 ZINC000427750197 856937370 /nfs/dbraw/zinc/93/73/70/856937370.db2.gz XPJOCFSPZVLFFB-UHFFFAOYSA-N 0 0 417.878 4.297 20 5 HIBDRN Cc1cc(S(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)ccc1[N+](=O)[O-] ZINC000427793077 856956341 /nfs/dbraw/zinc/95/63/41/856956341.db2.gz MXZMQCWOQWYABR-UHFFFAOYSA-N 0 0 423.494 4.319 20 5 HIBDRN C[C@@H]1[C@@H](CO)CCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000427818444 856968567 /nfs/dbraw/zinc/96/85/67/856968567.db2.gz PCUMLYRTQCXQBH-CHWSQXEVSA-N 0 0 406.891 4.242 20 5 HIBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCC[C@@H]1CO ZINC000427823304 856971279 /nfs/dbraw/zinc/97/12/79/856971279.db2.gz FOZXIOLESZJWKX-FXFXYLOPSA-N 0 0 423.494 4.119 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ncc1Br ZINC000427838436 856976567 /nfs/dbraw/zinc/97/65/67/856976567.db2.gz IWWIZYMBXMBURC-VIFPVBQESA-N 0 0 414.643 4.120 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)N(C(N)=O)CCC2 ZINC000427945271 857018197 /nfs/dbraw/zinc/01/81/97/857018197.db2.gz GNZWCUOYEKXNCM-UHFFFAOYSA-N 0 0 414.487 4.179 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2cc(Br)ccc2OC(F)F)cc1CO ZINC000428082109 857066020 /nfs/dbraw/zinc/06/60/20/857066020.db2.gz XHOLSTQLVDSKMA-UHFFFAOYSA-N 0 0 404.163 4.030 20 5 HIBDRN COc1cc(OC)c(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1Br ZINC000428117711 857077391 /nfs/dbraw/zinc/07/73/91/857077391.db2.gz JKIISMJLDXZBPI-UHFFFAOYSA-N 0 0 420.219 4.108 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[C@@H](OCC2CC2)C1 ZINC000428123291 857079563 /nfs/dbraw/zinc/07/95/63/857079563.db2.gz VXICSVINPJCPAG-HXUWFJFHSA-N 0 0 409.486 4.238 20 5 HIBDRN Cc1cc(C(C)(C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])ccc1Br ZINC000428132055 857084286 /nfs/dbraw/zinc/08/42/86/857084286.db2.gz SBWWSCYJPYMPEO-UHFFFAOYSA-N 0 0 409.284 4.177 20 5 HIBDRN O=C(Nc1cccc(OC2CCCC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000437531771 862869187 /nfs/dbraw/zinc/86/91/87/862869187.db2.gz CMDGXOUHOSKHJO-UHFFFAOYSA-N 0 0 403.822 4.147 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)Nc3ccnc4ccncc43)cc2[N+](=O)[O-])n1 ZINC000428172561 857096306 /nfs/dbraw/zinc/09/63/06/857096306.db2.gz UJTSNDHYJNUKJF-UHFFFAOYSA-N 0 0 423.479 4.128 20 5 HIBDRN CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000428201726 857108985 /nfs/dbraw/zinc/10/89/85/857108985.db2.gz GWBTWUDXWSWPMF-UHFFFAOYSA-N 0 0 421.278 4.261 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000437551213 862881584 /nfs/dbraw/zinc/88/15/84/862881584.db2.gz UASJXSIILDSSJR-MRXNPFEDSA-N 0 0 415.450 4.201 20 5 HIBDRN CN(Cc1cn2c(n1)CCCC2)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000428681472 857295679 /nfs/dbraw/zinc/29/56/79/857295679.db2.gz GOSYTRWRVMUMJW-UHFFFAOYSA-N 0 0 416.279 4.075 20 5 HIBDRN C[C@H](SCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1nc2ccccc2[nH]1 ZINC000428719408 857309419 /nfs/dbraw/zinc/30/94/19/857309419.db2.gz JSZRFRCOWVIQHC-AWEZNQCLSA-N 0 0 410.499 4.457 20 5 HIBDRN O=C(Nc1ccccc1)N1CCC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000428731648 857312916 /nfs/dbraw/zinc/31/29/16/857312916.db2.gz RWQJGGKBZDGQMC-UHFFFAOYSA-N 0 0 422.485 4.030 20 5 HIBDRN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428743259 857315412 /nfs/dbraw/zinc/31/54/12/857315412.db2.gz JNNRNGVFMBXLMM-MZKGEVEHSA-N 0 0 422.457 4.022 20 5 HIBDRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000428789889 857340720 /nfs/dbraw/zinc/34/07/20/857340720.db2.gz PRGKGLFENYIYRS-KPZWWZAWSA-N 0 0 420.391 4.452 20 5 HIBDRN O=C(N[C@H]1CCC[C@@H]1CCO)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000428792894 857342300 /nfs/dbraw/zinc/34/23/00/857342300.db2.gz JBIOTLOGXOEANT-KUHUBIRLSA-N 0 0 417.893 4.141 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1)C1CC1 ZINC000428902055 857402322 /nfs/dbraw/zinc/40/23/22/857402322.db2.gz OVINHHCLGHWGIS-HNNXBMFYSA-N 0 0 410.474 4.297 20 5 HIBDRN COc1cc(Br)ccc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437593796 862908411 /nfs/dbraw/zinc/90/84/11/862908411.db2.gz UYHGIIIJQNMTQP-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN CCOc1cccc([C@@H]2C[C@H]2NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000429037817 857469036 /nfs/dbraw/zinc/46/90/36/857469036.db2.gz ABLUNPFFCMVCTB-ZWKOTPCHSA-N 0 0 423.391 4.368 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000429063264 857488572 /nfs/dbraw/zinc/48/85/72/857488572.db2.gz SYIKVUACNYVIAB-OAHLLOKOSA-N 0 0 419.503 4.109 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000429077543 857498149 /nfs/dbraw/zinc/49/81/49/857498149.db2.gz VGMYFHNRLPFGLQ-IAGOWNOFSA-N 0 0 412.490 4.179 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CC[C@H](Sc3cccc(Cl)c3)C2)c2c(c1)COCO2 ZINC000429144087 857530376 /nfs/dbraw/zinc/53/03/76/857530376.db2.gz TXGSYBJSTQFICG-SFHVURJKSA-N 0 0 406.891 4.481 20 5 HIBDRN CC(C)(NCc1nc(-c2cccc(Br)c2)no1)c1ccccc1[N+](=O)[O-] ZINC000429260725 857579684 /nfs/dbraw/zinc/57/96/84/857579684.db2.gz YBYVLMOKIOGSEG-UHFFFAOYSA-N 0 0 417.263 4.432 20 5 HIBDRN CC(C)(NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cc(C(F)(F)F)on1 ZINC000429262850 857580456 /nfs/dbraw/zinc/58/04/56/857580456.db2.gz KGVYAGBFZFGFKI-UHFFFAOYSA-N 0 0 410.352 4.324 20 5 HIBDRN Cc1ccoc1CN(C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429388184 857636812 /nfs/dbraw/zinc/63/68/12/857636812.db2.gz QXDOCVROSJDYJR-CYBMUJFWSA-N 0 0 400.460 4.079 20 5 HIBDRN CN(Cc1cn2c(n1)CCCC2)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000429526499 857719482 /nfs/dbraw/zinc/71/94/82/857719482.db2.gz JJUKACBIHAXTDG-UHFFFAOYSA-N 0 0 405.458 4.143 20 5 HIBDRN CCCc1c(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000429629779 857808046 /nfs/dbraw/zinc/80/80/46/857808046.db2.gz VYTSFZRNMWXRLE-UHFFFAOYSA-N 0 0 411.437 4.236 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000429806846 857891713 /nfs/dbraw/zinc/89/17/13/857891713.db2.gz LUKPRBDRYASRBF-INIZCTEOSA-N 0 0 417.263 4.361 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-])O[C@H](C)C2 ZINC000429839738 857906230 /nfs/dbraw/zinc/90/62/30/857906230.db2.gz MMWCMJGFMDHBAY-SNVBAGLBSA-N 0 0 421.247 4.332 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1OC ZINC000429858804 857913305 /nfs/dbraw/zinc/91/33/05/857913305.db2.gz HIAYNBVSNANIPU-NSHDSACASA-N 0 0 423.263 4.256 20 5 HIBDRN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429945151 857963295 /nfs/dbraw/zinc/96/32/95/857963295.db2.gz PQILBELDDPKQJM-UHFFFAOYSA-N 0 0 403.154 4.306 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000429945921 857963442 /nfs/dbraw/zinc/96/34/42/857963442.db2.gz IXMYKSKDQXGGIP-VIFPVBQESA-N 0 0 415.190 4.450 20 5 HIBDRN CCN(CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000429963001 857973214 /nfs/dbraw/zinc/97/32/14/857973214.db2.gz OHCWGJJCVLRWHF-UHFFFAOYSA-N 0 0 406.280 4.004 20 5 HIBDRN CC1(C)CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000430093764 858028847 /nfs/dbraw/zinc/02/88/47/858028847.db2.gz IFVRMQKFRDUDOA-MRXNPFEDSA-N 0 0 423.254 4.178 20 5 HIBDRN COc1cc(CN2CC(C)(C)[C@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000430098496 858030905 /nfs/dbraw/zinc/03/09/05/858030905.db2.gz DGFKWQOXBYEATG-LJQANCHMSA-N 0 0 407.417 4.225 20 5 HIBDRN O=C(NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc2ccccc2c2cccnc12 ZINC000430136582 858049012 /nfs/dbraw/zinc/04/90/12/858049012.db2.gz WCNDWPXGOVNREC-WIOPSUGQSA-N 0 0 400.453 4.423 20 5 HIBDRN O=C(N[C@@H]1CC12CCCC2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000430223708 858087460 /nfs/dbraw/zinc/08/74/60/858087460.db2.gz GKWBOIRUIVOMRT-QGZVFWFLSA-N 0 0 411.424 4.279 20 5 HIBDRN O=C(N[C@H]1CC12CCCC2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000430223706 858087537 /nfs/dbraw/zinc/08/75/37/858087537.db2.gz GKWBOIRUIVOMRT-KRWDZBQOSA-N 0 0 411.424 4.279 20 5 HIBDRN O=C(N[C@@H]1Cc2cccc(O)c2C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000430243850 858094054 /nfs/dbraw/zinc/09/40/54/858094054.db2.gz VCRRQOQSUISITF-OAHLLOKOSA-N 0 0 406.463 4.349 20 5 HIBDRN Cn1cc(CN(CCOc2ccccc2[N+](=O)[O-])Cc2ccc(Cl)cc2)cn1 ZINC000430264355 858101928 /nfs/dbraw/zinc/10/19/28/858101928.db2.gz AUWKZZUMIXOYNS-UHFFFAOYSA-N 0 0 400.866 4.063 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(c1ccccn1)C1CCCC1 ZINC000430275449 858105139 /nfs/dbraw/zinc/10/51/39/858105139.db2.gz ULPXOVJSNDPMLV-UHFFFAOYSA-N 0 0 404.264 4.271 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000430435069 858161156 /nfs/dbraw/zinc/16/11/56/858161156.db2.gz DYXJADGOEDDHCK-KRWDZBQOSA-N 0 0 400.500 4.181 20 5 HIBDRN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000430437778 858163011 /nfs/dbraw/zinc/16/30/11/858163011.db2.gz GQXRFHMKKFMJOR-QZTJIDSGSA-N 0 0 420.252 4.113 20 5 HIBDRN COCCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000430439807 858164820 /nfs/dbraw/zinc/16/48/20/858164820.db2.gz OSOVXJPEUBGVRN-UHFFFAOYSA-N 0 0 409.236 4.025 20 5 HIBDRN Cc1sc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1[N+](=O)[O-] ZINC000430439726 858164965 /nfs/dbraw/zinc/16/49/65/858164965.db2.gz PXFGYKGXHWUFHM-HIFRSBDPSA-N 0 0 401.271 4.002 20 5 HIBDRN CC(C)(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000430519652 858205915 /nfs/dbraw/zinc/20/59/15/858205915.db2.gz KXFGXKCEGFCBOC-UHFFFAOYSA-N 0 0 419.437 4.151 20 5 HIBDRN Cc1ccc(I)c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000430537941 858210000 /nfs/dbraw/zinc/21/00/00/858210000.db2.gz ACIKCDZKPCOOFX-UHFFFAOYSA-N 0 0 424.238 4.173 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000430555306 858216904 /nfs/dbraw/zinc/21/69/04/858216904.db2.gz OWQIZEUKPCBBLO-UHFFFAOYSA-N 0 0 410.449 4.130 20 5 HIBDRN CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC000430611295 858236294 /nfs/dbraw/zinc/23/62/94/858236294.db2.gz NMMUCGNEVMBSEO-MRXNPFEDSA-N 0 0 421.291 4.077 20 5 HIBDRN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430630711 858242292 /nfs/dbraw/zinc/24/22/92/858242292.db2.gz SFDWWJAYMWQZMG-DZGCQCFKSA-N 0 0 403.276 4.451 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000430635023 858243071 /nfs/dbraw/zinc/24/30/71/858243071.db2.gz UFQCLGFXLHELMJ-LBPRGKRZSA-N 0 0 415.247 4.034 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000430643544 858246113 /nfs/dbraw/zinc/24/61/13/858246113.db2.gz RPJCEWOZCVAICT-UGSOOPFHSA-N 0 0 419.275 4.268 20 5 HIBDRN COc1cc(C(=O)N2c3ccccc3SC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000430653207 858250618 /nfs/dbraw/zinc/25/06/18/858250618.db2.gz OJKFINXNZIPOAH-JTQLQIEISA-N 0 0 410.398 4.346 20 5 HIBDRN COCCCOc1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000430656979 858251913 /nfs/dbraw/zinc/25/19/13/858251913.db2.gz XNFPAAHPOZDIGC-UHFFFAOYSA-N 0 0 413.455 4.386 20 5 HIBDRN Cc1sc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)nc1-c1c[nH]c2ncccc12 ZINC000430787536 858305077 /nfs/dbraw/zinc/30/50/77/858305077.db2.gz HLBYSDFKIUTGHP-UHFFFAOYSA-N 0 0 423.454 4.229 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430818120 858315791 /nfs/dbraw/zinc/31/57/91/858315791.db2.gz YTWGVCOSDSDRLF-UHFFFAOYSA-N 0 0 409.236 4.082 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430937090 858375448 /nfs/dbraw/zinc/37/54/48/858375448.db2.gz ZBGKRDFMUZPVNF-DYESRHJHSA-N 0 0 422.485 4.430 20 5 HIBDRN O=C(NCc1c(F)cc(F)c(F)c1F)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000430950555 858380139 /nfs/dbraw/zinc/38/01/39/858380139.db2.gz RRZGVYBTQAMUBP-UHFFFAOYSA-N 0 0 409.242 4.074 20 5 HIBDRN Cc1ccccc1Cc1noc(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000430959142 858383009 /nfs/dbraw/zinc/38/30/09/858383009.db2.gz WSEYMMFMSOCHNT-UHFFFAOYSA-N 0 0 413.455 4.177 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN1C(=O)[C@@H](c2ccc(Cl)c(Cl)c2)N(C)C1=O ZINC000431017001 858405672 /nfs/dbraw/zinc/40/56/72/858405672.db2.gz YTJKSPCTTPAHIX-MRXNPFEDSA-N 0 0 424.240 4.046 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(F)ccc1Cl ZINC000431021661 858406740 /nfs/dbraw/zinc/40/67/40/858406740.db2.gz AHBGAZLKRCOINH-UHFFFAOYSA-N 0 0 405.735 4.248 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(Nc2ccc(F)cc2)CC1 ZINC000431027277 858408591 /nfs/dbraw/zinc/40/85/91/858408591.db2.gz VILBPSDJTXFOEO-UHFFFAOYSA-N 0 0 422.254 4.213 20 5 HIBDRN O=C(Nc1ccc(Oc2ncnc3c2ncn3C2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000431043505 858415230 /nfs/dbraw/zinc/41/52/30/858415230.db2.gz DAADBQXQSUBJHI-UHFFFAOYSA-N 0 0 416.397 4.114 20 5 HIBDRN Cc1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1C(=O)N1CCCC1 ZINC000431068973 858432861 /nfs/dbraw/zinc/43/28/61/858432861.db2.gz DRHCHZWNULMCQF-UHFFFAOYSA-N 0 0 410.474 4.196 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000431091716 858443790 /nfs/dbraw/zinc/44/37/90/858443790.db2.gz UWUSCKXISIGYKH-GFCCVEGCSA-N 0 0 417.314 4.467 20 5 HIBDRN CC(=O)Nc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1F ZINC000431179676 858490119 /nfs/dbraw/zinc/49/01/19/858490119.db2.gz DKPMFLFRXGQUAU-UHFFFAOYSA-N 0 0 410.199 4.016 20 5 HIBDRN Cc1c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cnn1CCC(C)C ZINC000431180520 858491246 /nfs/dbraw/zinc/49/12/46/858491246.db2.gz PUYKMBZXOUMORI-UHFFFAOYSA-N 0 0 409.284 4.469 20 5 HIBDRN CCCC(=O)Nc1ccc(C(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1 ZINC000431217768 858510959 /nfs/dbraw/zinc/51/09/59/858510959.db2.gz JTXAEUBICNFRBU-UHFFFAOYSA-N 0 0 421.247 4.358 20 5 HIBDRN Cc1c(NC(=O)[C@@H]2COc3ccc(Cl)cc32)cc(Br)cc1[N+](=O)[O-] ZINC000431222675 858514061 /nfs/dbraw/zinc/51/40/61/858514061.db2.gz HDKYZMZTRBHEPX-GFCCVEGCSA-N 0 0 411.639 4.434 20 5 HIBDRN Cc1c(NC(=O)CSCC(=O)c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000431224085 858515002 /nfs/dbraw/zinc/51/50/02/858515002.db2.gz MIQSACGHVQACFZ-UHFFFAOYSA-N 0 0 423.288 4.220 20 5 HIBDRN Cc1sc(C(=O)N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000431229074 858517929 /nfs/dbraw/zinc/51/79/29/858517929.db2.gz BZAZXBTULUBXMF-UHFFFAOYSA-N 0 0 404.879 4.194 20 5 HIBDRN O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1CCCCc1ccc([N+](=O)[O-])cc1 ZINC000431229006 858518035 /nfs/dbraw/zinc/51/80/35/858518035.db2.gz LJUROKDNSWZGFW-UHFFFAOYSA-N 0 0 401.850 4.035 20 5 HIBDRN Cc1ccccc1Cc1nnc(COc2c(Br)cccc2[N+](=O)[O-])o1 ZINC000431231827 858520027 /nfs/dbraw/zinc/52/00/27/858520027.db2.gz WJBULQLAFRPKJJ-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN Cc1noc2nc(C)cc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)c12 ZINC000431236179 858523320 /nfs/dbraw/zinc/52/33/20/858523320.db2.gz LFXLIEVHIIUWMY-UHFFFAOYSA-N 0 0 405.208 4.071 20 5 HIBDRN Cc1c(NC(=O)c2cc(Br)cn2C)cc(Br)cc1[N+](=O)[O-] ZINC000431260120 858536441 /nfs/dbraw/zinc/53/64/41/858536441.db2.gz SFVCNLWRCWMLTA-UHFFFAOYSA-N 0 0 417.057 4.019 20 5 HIBDRN Cc1c(NC(=O)c2ccn(-c3ccccc3)n2)cc(Br)cc1[N+](=O)[O-] ZINC000431270275 858540972 /nfs/dbraw/zinc/54/09/72/858540972.db2.gz QDSFSZGVMINAGF-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1c(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cccc1C(=O)N1CCCC1 ZINC000431400720 858596668 /nfs/dbraw/zinc/59/66/68/858596668.db2.gz LWVNAXGZDXSECG-UHFFFAOYSA-N 0 0 410.474 4.196 20 5 HIBDRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000431400817 858596703 /nfs/dbraw/zinc/59/67/03/858596703.db2.gz MDERNQOVJUIBOO-UHFFFAOYSA-N 0 0 424.476 4.493 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000431412806 858602158 /nfs/dbraw/zinc/60/21/58/858602158.db2.gz IABMPIVJXUASFM-HNNXBMFYSA-N 0 0 412.490 4.488 20 5 HIBDRN CC(C)(NC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000431413989 858603152 /nfs/dbraw/zinc/60/31/52/858603152.db2.gz LUAWXIUDMOLLRL-UHFFFAOYSA-N 0 0 416.865 4.197 20 5 HIBDRN O=C(NCc1ccc(-c2cccnc2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431505508 858648108 /nfs/dbraw/zinc/64/81/08/858648108.db2.gz KCLGZVSJEONGSD-UHFFFAOYSA-N 0 0 412.243 4.349 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3ncccc3C(F)(F)F)co2)cc1 ZINC000431557118 858668934 /nfs/dbraw/zinc/66/89/34/858668934.db2.gz DLSKLDVLNLYVJQ-MUUNZHRXSA-N 0 0 411.361 4.113 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Cl ZINC000431623809 858695829 /nfs/dbraw/zinc/69/58/29/858695829.db2.gz JNTWTXABSXLWKP-UHFFFAOYSA-N 0 0 412.627 4.221 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000431668599 858725633 /nfs/dbraw/zinc/72/56/33/858725633.db2.gz ZQERMZAYXJGAKJ-WIYYLYMNSA-N 0 0 411.502 4.398 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000437736268 863064377 /nfs/dbraw/zinc/06/43/77/863064377.db2.gz MRUVHSVQXJIDGT-SGTLLEGYSA-N 0 0 410.396 4.118 20 5 HIBDRN COc1ccc2c(c1)[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)CC2 ZINC000431822079 858828461 /nfs/dbraw/zinc/82/84/61/858828461.db2.gz HOEHIAYRIQXHQO-MRXNPFEDSA-N 0 0 408.376 4.224 20 5 HIBDRN COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431916841 858869191 /nfs/dbraw/zinc/86/91/91/858869191.db2.gz QIXFGQKCDPQEJI-INIZCTEOSA-N 0 0 405.248 4.343 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(CCc1ccc(F)cc1)C1CC1 ZINC000431937818 858878671 /nfs/dbraw/zinc/87/86/71/858878671.db2.gz MGLFBYBOVPIFBA-UHFFFAOYSA-N 0 0 407.239 4.344 20 5 HIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432039308 858944859 /nfs/dbraw/zinc/94/48/59/858944859.db2.gz VGTSRZOIYAMPJG-HUUCEWRRSA-N 0 0 410.499 4.447 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000432045590 858948357 /nfs/dbraw/zinc/94/83/57/858948357.db2.gz 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400.479 4.377 20 5 HIBDRN O=c1[nH]c(C=Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)nc2cnccc12 ZINC000434930111 860558590 /nfs/dbraw/zinc/55/85/90/860558590.db2.gz FFBWSBLABAGGJV-KRXBUXKQSA-N 0 0 404.357 4.328 20 5 HIBDRN COc1ccc(-c2ccc(CNCc3noc(-c4ccccc4F)n3)o2)c([N+](=O)[O-])c1 ZINC000435037199 860610417 /nfs/dbraw/zinc/61/04/17/860610417.db2.gz NKXMCJVGSUKXMC-UHFFFAOYSA-N 0 0 424.388 4.342 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000435135415 860658481 /nfs/dbraw/zinc/65/84/81/860658481.db2.gz PKHWYUCIFQXJGU-UHFFFAOYSA-N 0 0 401.469 4.250 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1CCCCO1 ZINC000435173474 860677746 /nfs/dbraw/zinc/67/77/46/860677746.db2.gz LYUBENWQTGQASS-OAHLLOKOSA-N 0 0 404.444 4.008 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CCCCO1 ZINC000435173473 860677799 /nfs/dbraw/zinc/67/77/99/860677799.db2.gz LYUBENWQTGQASS-HNNXBMFYSA-N 0 0 404.444 4.008 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000435233837 860701934 /nfs/dbraw/zinc/70/19/34/860701934.db2.gz XMIFULIJGZWXFJ-GXTWGEPZSA-N 0 0 400.232 4.125 20 5 HIBDRN O=C(Nc1cc(F)c(F)cc1Br)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000435256149 860705316 /nfs/dbraw/zinc/70/53/16/860705316.db2.gz MRFAZJZMLSVTGZ-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN COc1cccc2c1CC[C@@H]2NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435322478 860734331 /nfs/dbraw/zinc/73/43/31/860734331.db2.gz DBIBJPRDSHDTDA-AWEZNQCLSA-N 0 0 420.263 4.483 20 5 HIBDRN CCO[C@H]1C[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C12CCC2 ZINC000435326870 860738150 /nfs/dbraw/zinc/73/81/50/860738150.db2.gz FCXJOJCUFDHNLY-GJZGRUSLSA-N 0 0 412.284 4.135 20 5 HIBDRN Cc1c(NC(=O)NCc2nc(C3CC3)cs2)cc(Br)cc1[N+](=O)[O-] ZINC000435327360 860738265 /nfs/dbraw/zinc/73/82/65/860738265.db2.gz GUVPLLVKYNCSMD-UHFFFAOYSA-N 0 0 411.281 4.321 20 5 HIBDRN Cc1cnc([C@H](C)CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000435326882 860738530 /nfs/dbraw/zinc/73/85/30/860738530.db2.gz FEZAWGAVMQIOJT-MRVPVSSYSA-N 0 0 413.297 4.356 20 5 HIBDRN COCc1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000435328889 860740040 /nfs/dbraw/zinc/74/00/40/860740040.db2.gz NHMDDQCFRLJBIV-UHFFFAOYSA-N 0 0 408.252 4.134 20 5 HIBDRN Cc1c(NC(=O)NCc2ccc3c(n2)CCCC3)cc(Br)cc1[N+](=O)[O-] ZINC000435330830 860742341 /nfs/dbraw/zinc/74/23/41/860742341.db2.gz WPWYJDGZBUGEAY-UHFFFAOYSA-N 0 0 419.279 4.261 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)cc(Br)cc1[N+](=O)[O-] ZINC000435331294 860742418 /nfs/dbraw/zinc/74/24/18/860742418.db2.gz ZYQBIARXFJCGQH-FZMZJTMJSA-N 0 0 420.263 4.352 20 5 HIBDRN COc1ccc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(OC)c1 ZINC000435332211 860743457 /nfs/dbraw/zinc/74/34/57/860743457.db2.gz KXEGQGPWWBXVRY-UHFFFAOYSA-N 0 0 410.224 4.327 20 5 HIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435359668 860760675 /nfs/dbraw/zinc/76/06/75/860760675.db2.gz VAEJXUORFWBKQQ-VIFPVBQESA-N 0 0 403.357 4.229 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@H]1CCCCO1 ZINC000435361904 860761798 /nfs/dbraw/zinc/76/17/98/860761798.db2.gz AFPLMUUOJAREBZ-GOSISDBHSA-N 0 0 408.813 4.365 20 5 HIBDRN C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000435373314 860771994 /nfs/dbraw/zinc/77/19/94/860771994.db2.gz DMIQGSBXEWNNKS-JTSKRJEESA-N 0 0 418.497 4.132 20 5 HIBDRN O=C(CCOC1CCOCC1)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435443202 860800601 /nfs/dbraw/zinc/80/06/01/860800601.db2.gz MPGLJWSYEWFVHG-UHFFFAOYSA-N 0 0 408.501 4.332 20 5 HIBDRN CC(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 ZINC000435446258 860801480 /nfs/dbraw/zinc/80/14/80/860801480.db2.gz JKMUUXAVXMNIKB-UHFFFAOYSA-N 0 0 405.501 4.005 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCCC[C@H]2Oc2cccc(C)c2)cc([N+](=O)[O-])c1OC ZINC000435451640 860803456 /nfs/dbraw/zinc/80/34/56/860803456.db2.gz KOXHHMLFTMBMQM-PKOBYXMFSA-N 0 0 414.458 4.040 20 5 HIBDRN CC[C@](C)(COc1ncccc1Cl)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000435453381 860804096 /nfs/dbraw/zinc/80/40/96/860804096.db2.gz SIZGXJLTVCUXBM-GOSISDBHSA-N 0 0 412.273 4.203 20 5 HIBDRN COc1cccc(C(=O)N[C@H](C)CCc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000435488979 860818818 /nfs/dbraw/zinc/81/88/18/860818818.db2.gz HPHJEEPUWCECSR-GFCCVEGCSA-N 0 0 407.264 4.117 20 5 HIBDRN CC1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 ZINC000435498510 860823152 /nfs/dbraw/zinc/82/31/52/860823152.db2.gz XRLBBLGZQQJFKZ-UHFFFAOYSA-N 0 0 405.501 4.005 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c1[N+](=O)[O-] ZINC000435554547 860873755 /nfs/dbraw/zinc/87/37/55/860873755.db2.gz ROMPGMYFVDUJTB-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN CCCCOc1ccc([C@@H](C)NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1OC ZINC000435560612 860881513 /nfs/dbraw/zinc/88/15/13/860881513.db2.gz NTHHVGDMIIYNQN-CQSZACIVSA-N 0 0 402.447 4.282 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2cccc(OC)c2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000435568455 860889691 /nfs/dbraw/zinc/88/96/91/860889691.db2.gz UCLCYXHBVKFTEW-AWEZNQCLSA-N 0 0 414.458 4.424 20 5 HIBDRN COc1ccc(F)cc1-c1csc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])n1 ZINC000435568912 860889771 /nfs/dbraw/zinc/88/97/71/860889771.db2.gz VTKMOOYXVFCLOD-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN NC(=O)c1ccc(CN[C@H](c2cccc(F)c2)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000467776219 881594789 /nfs/dbraw/zinc/59/47/89/881594789.db2.gz QQRJSKPDDFXTCI-FQEVSTJZSA-N 0 0 413.836 4.365 20 5 HIBDRN O=C(c1cc(N[C@H]2C[C@@H]2c2ccccc2OC(F)F)ccc1[N+](=O)[O-])N1CCCC1 ZINC000435602155 860905623 /nfs/dbraw/zinc/90/56/23/860905623.db2.gz TWNVLMYHBXALON-WBVHZDCISA-N 0 0 417.412 4.400 20 5 HIBDRN COC(=O)c1ccccc1-c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000435666810 860945066 /nfs/dbraw/zinc/94/50/66/860945066.db2.gz CICBBYIRLDAECC-UHFFFAOYSA-N 0 0 406.394 4.309 20 5 HIBDRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000435667630 860946756 /nfs/dbraw/zinc/94/67/56/860946756.db2.gz NOZUCWWOASIPEY-CQSZACIVSA-N 0 0 408.410 4.315 20 5 HIBDRN C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000467787103 881609032 /nfs/dbraw/zinc/60/90/32/881609032.db2.gz WPTBTDXITKOXKP-SNVBAGLBSA-N 0 0 408.423 4.147 20 5 HIBDRN CCOC(=O)c1cc(NCc2ccc(NC(=O)c3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000467784920 881606378 /nfs/dbraw/zinc/60/63/78/881606378.db2.gz NVIIFAKUTBEUEX-UHFFFAOYSA-N 0 0 420.425 4.031 20 5 HIBDRN CC[C@@H](Cc1ccccc1Br)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435821855 861087332 /nfs/dbraw/zinc/08/73/32/861087332.db2.gz JACRDKYZHTVILE-ZDUSSCGKSA-N 0 0 407.264 4.117 20 5 HIBDRN C[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)[C@H]1C ZINC000435838417 861100842 /nfs/dbraw/zinc/10/08/42/861100842.db2.gz YKNDSCSVQVUULF-RYUDHWBXSA-N 0 0 405.501 4.003 20 5 HIBDRN COc1ccc(OC)c([C@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000435838769 861100873 /nfs/dbraw/zinc/10/08/73/861100873.db2.gz ZVRMSTOWQRPJCJ-ZDUSSCGKSA-N 0 0 420.440 4.329 20 5 HIBDRN C[C@H]1COCC[C@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000435860056 861120417 /nfs/dbraw/zinc/12/04/17/861120417.db2.gz CWIUWDDWAKTWHN-SWLSCSKDSA-N 0 0 422.840 4.468 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000467791415 881614601 /nfs/dbraw/zinc/61/46/01/881614601.db2.gz XOBNMXZTODEQRO-UHFFFAOYSA-N 0 0 406.417 4.214 20 5 HIBDRN COc1cccc(C(=O)NCC(C)(C)c2ccc(OCC(C)C)cc2)c1[N+](=O)[O-] ZINC000435865916 861125859 /nfs/dbraw/zinc/12/58/59/861125859.db2.gz DSQAPJYBCBWTNA-UHFFFAOYSA-N 0 0 400.475 4.346 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000435882406 861140461 /nfs/dbraw/zinc/14/04/61/861140461.db2.gz TVVJPSIMSRKBSC-UHFFFAOYSA-N 0 0 413.477 4.416 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000437772774 863092114 /nfs/dbraw/zinc/09/21/14/863092114.db2.gz KYZSMELFDUJKAK-JCNLHEQBSA-N 0 0 407.392 4.402 20 5 HIBDRN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOc2ccc(Br)cc21 ZINC000437930181 863307553 /nfs/dbraw/zinc/30/75/53/863307553.db2.gz UVKPBTLFHIKSEP-HNNXBMFYSA-N 0 0 424.226 4.484 20 5 HIBDRN CO[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000437957154 863329297 /nfs/dbraw/zinc/32/92/97/863329297.db2.gz ABOJVIPKTPTOBE-LJQANCHMSA-N 0 0 403.866 4.310 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1nc(C2CCCCC2)no1 ZINC000437969712 863338909 /nfs/dbraw/zinc/33/89/09/863338909.db2.gz OAIVXZWGMCLUKV-CQSZACIVSA-N 0 0 413.478 4.461 20 5 HIBDRN COc1ccc(CN2CCC[C@@H]2c2ncc[nH]2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000437982354 863348995 /nfs/dbraw/zinc/34/89/95/863348995.db2.gz YVKJEXNFWDYMAC-LJQANCHMSA-N 0 0 408.458 4.243 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437999581 863361339 /nfs/dbraw/zinc/36/13/39/863361339.db2.gz ORCGHTOZGJYSLS-IRLDBZIGSA-N 0 0 409.486 4.498 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000438000948 863362578 /nfs/dbraw/zinc/36/25/78/863362578.db2.gz MJMXUZRDJKKNBI-MRXNPFEDSA-N 0 0 422.485 4.157 20 5 HIBDRN C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438007401 863367292 /nfs/dbraw/zinc/36/72/92/863367292.db2.gz CLNIUJLTHPJLSJ-HNNXBMFYSA-N 0 0 411.458 4.019 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)N(CC2CCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000438027204 863385469 /nfs/dbraw/zinc/38/54/69/863385469.db2.gz JQVLJZIVUCPVSB-UHFFFAOYSA-N 0 0 423.498 4.321 20 5 HIBDRN CCOc1ccc(OC)cc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438034924 863394098 /nfs/dbraw/zinc/39/40/98/863394098.db2.gz MSROKGOZGAHCAY-UHFFFAOYSA-N 0 0 415.446 4.077 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N(CCc1ccccn1)Cc1ccncc1 ZINC000438104692 863515552 /nfs/dbraw/zinc/51/55/52/863515552.db2.gz YDSNUWAYBUHCDT-UHFFFAOYSA-N 0 0 402.410 4.016 20 5 HIBDRN O=[N+]([O-])c1ccc(OC2CCN(Cc3cnn(Cc4ccc(F)cc4)c3)CC2)cc1 ZINC000438116904 863533072 /nfs/dbraw/zinc/53/30/72/863533072.db2.gz NYJLFRRMRCDCRW-UHFFFAOYSA-N 0 0 410.449 4.022 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000438150743 863571039 /nfs/dbraw/zinc/57/10/39/863571039.db2.gz WUQBGHZIGBHRHJ-VGTOOOLASA-N 0 0 405.248 4.040 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000467844991 881688389 /nfs/dbraw/zinc/68/83/89/881688389.db2.gz XKLRXHBBGJRRJR-UHFFFAOYSA-N 0 0 404.488 4.294 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCS[C@@H]2CCCC[C@@H]21 ZINC000438450609 863875080 /nfs/dbraw/zinc/87/50/80/863875080.db2.gz FWLYFLZHSHITGK-LSDHHAIUSA-N 0 0 404.410 4.036 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc2ccn(C)c2c1)c1ccccc1[N+](=O)[O-] ZINC000438477091 863893715 /nfs/dbraw/zinc/89/37/15/863893715.db2.gz RFKURQFWOWOWOS-GOSISDBHSA-N 0 0 424.457 4.291 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000438520662 863946635 /nfs/dbraw/zinc/94/66/35/863946635.db2.gz XCFSQJDDFDUXRS-OCCSQVGLSA-N 0 0 420.453 4.322 20 5 HIBDRN O=C(NCc1cccs1)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000438541856 863967656 /nfs/dbraw/zinc/96/76/56/863967656.db2.gz RNENKZDWFZBXQD-UHFFFAOYSA-N 0 0 415.858 4.492 20 5 HIBDRN COc1cnccc1[C@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000438614209 864039655 /nfs/dbraw/zinc/03/96/55/864039655.db2.gz ONZAGIDMGGJUTQ-GJZGRUSLSA-N 0 0 421.457 4.058 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438632131 864062111 /nfs/dbraw/zinc/06/21/11/864062111.db2.gz XGMMFWNCVASRDY-OAHLLOKOSA-N 0 0 409.211 4.092 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCOc2ccc(Br)cc21 ZINC000438632129 864062588 /nfs/dbraw/zinc/06/25/88/864062588.db2.gz XGMMFWNCVASRDY-HNNXBMFYSA-N 0 0 409.211 4.092 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000438645731 864084811 /nfs/dbraw/zinc/08/48/11/864084811.db2.gz DLRNYSWLQRDSES-UHFFFAOYSA-N 0 0 424.482 4.094 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000438652699 864094079 /nfs/dbraw/zinc/09/40/79/864094079.db2.gz YCGVEKRBVXVIKK-UHFFFAOYSA-N 0 0 423.391 4.075 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000438656025 864099919 /nfs/dbraw/zinc/09/99/19/864099919.db2.gz OIXNIMSGMCJSDZ-UHFFFAOYSA-N 0 0 417.465 4.222 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000438666055 864118558 /nfs/dbraw/zinc/11/85/58/864118558.db2.gz SIDIVGPDJBTGLK-UHFFFAOYSA-N 0 0 410.257 4.277 20 5 HIBDRN O=C1CCN1c1cccc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)c1 ZINC000438814250 864305788 /nfs/dbraw/zinc/30/57/88/864305788.db2.gz NYQGVBXNSBJDPH-UHFFFAOYSA-N 0 0 419.422 4.172 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(N3CCC3=O)c2)no1 ZINC000438820445 864313243 /nfs/dbraw/zinc/31/32/43/864313243.db2.gz PUYKWEZHIRJODV-LLVKDONJSA-N 0 0 414.805 4.175 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc(N3CCC3=O)c2)no1 ZINC000438820447 864313957 /nfs/dbraw/zinc/31/39/57/864313957.db2.gz PUYKWEZHIRJODV-NSHDSACASA-N 0 0 414.805 4.175 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000438837086 864328319 /nfs/dbraw/zinc/32/83/19/864328319.db2.gz BSRXDSXAWDUDJT-GDLZYMKVSA-N 0 0 408.479 4.392 20 5 HIBDRN Cc1c(CC(=O)NCCCc2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000438838342 864331619 /nfs/dbraw/zinc/33/16/19/864331619.db2.gz SQGCYADXRVEKOZ-UHFFFAOYSA-N 0 0 409.255 4.096 20 5 HIBDRN Cc1c(CC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000438907189 864385536 /nfs/dbraw/zinc/38/55/36/864385536.db2.gz LCVXPMHMRGFJNF-UHFFFAOYSA-N 0 0 409.486 4.281 20 5 HIBDRN Cc1c(CC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cccc1[N+](=O)[O-] ZINC000438908455 864387000 /nfs/dbraw/zinc/38/70/00/864387000.db2.gz GJVYBPXCKIZJDS-UHFFFAOYSA-N 0 0 414.465 4.160 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cccc1[N+](=O)[O-] ZINC000438907647 864387424 /nfs/dbraw/zinc/38/74/24/864387424.db2.gz AZYYSMVTCWFNNO-UHFFFAOYSA-N 0 0 415.449 4.287 20 5 HIBDRN CCSc1nccnc1-c1noc(-c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000438926598 864406452 /nfs/dbraw/zinc/40/64/52/864406452.db2.gz CWGXWIPILABGMD-UHFFFAOYSA-N 0 0 422.264 4.285 20 5 HIBDRN CCSc1nccnc1-c1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000438930797 864409423 /nfs/dbraw/zinc/40/94/23/864409423.db2.gz YNBGVJDIXRLCPZ-VIFPVBQESA-N 0 0 407.839 4.340 20 5 HIBDRN CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438936843 864413763 /nfs/dbraw/zinc/41/37/63/864413763.db2.gz MTSZIKROWHIBRS-UHFFFAOYSA-N 0 0 421.375 4.473 20 5 HIBDRN Cc1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1-c1nnnn1C1CC1 ZINC000438939777 864414667 /nfs/dbraw/zinc/41/46/67/864414667.db2.gz TWXLCPPGOHFCPI-UHFFFAOYSA-N 0 0 412.837 4.106 20 5 HIBDRN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000438948922 864420562 /nfs/dbraw/zinc/42/05/62/864420562.db2.gz CRZACNKFGFLMGL-GOSISDBHSA-N 0 0 424.375 4.122 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000438950334 864422092 /nfs/dbraw/zinc/42/20/92/864422092.db2.gz HHJQPZOYFODIBL-FQEVSTJZSA-N 0 0 411.845 4.480 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000438953602 864424968 /nfs/dbraw/zinc/42/49/68/864424968.db2.gz BCZBBZDYZCFRPM-UHFFFAOYSA-N 0 0 419.503 4.047 20 5 HIBDRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)n2)c1 ZINC000438970769 864436410 /nfs/dbraw/zinc/43/64/10/864436410.db2.gz SPICXKPAKVOUKU-CYBMUJFWSA-N 0 0 410.430 4.268 20 5 HIBDRN CO[C@H](C)c1nc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cs1 ZINC000438979989 864443163 /nfs/dbraw/zinc/44/31/63/864443163.db2.gz RBMVUYBYHGLXCV-CYBMUJFWSA-N 0 0 412.471 4.432 20 5 HIBDRN CO[C@H](C)c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cs1 ZINC000438987481 864448769 /nfs/dbraw/zinc/44/87/69/864448769.db2.gz UFUUMWFPKUDQCP-CYBMUJFWSA-N 0 0 413.455 4.481 20 5 HIBDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000439022983 864477058 /nfs/dbraw/zinc/47/70/58/864477058.db2.gz VJXQJFZAPOHBGE-ZACQAIPSSA-N 0 0 416.499 4.267 20 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ZINC000439173918 864602693 /nfs/dbraw/zinc/60/26/93/864602693.db2.gz VIMJFNMPCRWPSA-UHFFFAOYSA-N 0 0 401.850 4.320 20 5 HIBDRN Cc1nc(-c2cccc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)c2)cs1 ZINC000439189373 864617602 /nfs/dbraw/zinc/61/76/02/864617602.db2.gz OETJIZDUFNFCSS-UHFFFAOYSA-N 0 0 406.427 4.064 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000439193771 864618929 /nfs/dbraw/zinc/61/89/29/864618929.db2.gz SYAVEOPHSUTWMW-UHFFFAOYSA-N 0 0 411.458 4.440 20 5 HIBDRN Cc1ccc(F)c(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000439224000 864640450 /nfs/dbraw/zinc/64/04/50/864640450.db2.gz PMPMZZITPQDHQM-UHFFFAOYSA-N 0 0 400.431 4.438 20 5 HIBDRN CCSCC[C@H](C)N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000439236350 864651727 /nfs/dbraw/zinc/65/17/27/864651727.db2.gz KSNUCGZXDSXCGD-VIFPVBQESA-N 0 0 401.337 4.054 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)Cc2cccc(F)c2)cc1 ZINC000439242140 864658969 /nfs/dbraw/zinc/65/89/69/864658969.db2.gz 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OYXSBVNNAJYNRL-UHFFFAOYSA-N 0 0 416.430 4.164 20 5 HIBDRN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c1 ZINC000442314136 867322721 /nfs/dbraw/zinc/32/27/21/867322721.db2.gz GUKMEHIQJYHKJN-UHFFFAOYSA-N 0 0 419.846 4.023 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(F)cc(Br)c1F ZINC000468207362 882088384 /nfs/dbraw/zinc/08/83/84/882088384.db2.gz VNBISIOZHWBWOP-UHFFFAOYSA-N 0 0 410.174 4.298 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CC[C@@H]2CCCO2)cc1 ZINC000468213787 882096303 /nfs/dbraw/zinc/09/63/03/882096303.db2.gz BIJKIBFDHMUHEY-KRWDZBQOSA-N 0 0 400.431 4.037 20 5 HIBDRN O=C(Nc1cc(F)cc(Br)c1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000468214874 882097125 /nfs/dbraw/zinc/09/71/25/882097125.db2.gz HWKVPAUXGDFYTO-UHFFFAOYSA-N 0 0 412.190 4.462 20 5 HIBDRN O=C(Nc1cc(Br)c(F)cc1F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000468216917 882099043 /nfs/dbraw/zinc/09/90/43/882099043.db2.gz VJZREQMTDZYALH-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(-c3nc([C@@H]4CCOC[C@H]4C)no3)cc2[N+](=O)[O-])C1 ZINC000442688165 867623071 /nfs/dbraw/zinc/62/30/71/867623071.db2.gz KYDNSPRCKOWPJC-JYYAWHABSA-N 0 0 400.479 4.267 20 5 HIBDRN C/C=C\C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)OCC ZINC000442887768 867719508 /nfs/dbraw/zinc/71/95/08/867719508.db2.gz YRPJOIQFCWFXOD-IMMZDGJCSA-N 0 0 414.483 4.374 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000442924737 867743709 /nfs/dbraw/zinc/74/37/09/867743709.db2.gz PQANVRLTBCGMDA-SMHULIPUSA-N 0 0 402.422 4.158 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2)n1 ZINC000443108169 867821496 /nfs/dbraw/zinc/82/14/96/867821496.db2.gz IFXGMANSLHQSIK-HNNXBMFYSA-N 0 0 412.877 4.471 20 5 HIBDRN CCOc1cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc(Cl)c1O ZINC000443192928 867869603 /nfs/dbraw/zinc/86/96/03/867869603.db2.gz LGPFYHMJLLVAKP-UHFFFAOYSA-N 0 0 414.805 4.475 20 5 HIBDRN C[C@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443201861 867873438 /nfs/dbraw/zinc/87/34/38/867873438.db2.gz TWBMOAGGARUHEH-SECBINFHSA-N 0 0 417.281 4.178 20 5 HIBDRN O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000443310365 867898861 /nfs/dbraw/zinc/89/88/61/867898861.db2.gz VBRCOIUWKBJJLB-UHFFFAOYSA-N 0 0 418.438 4.178 20 5 HIBDRN Cc1nc(-c2ccc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)cc2)cs1 ZINC000443323426 867904555 /nfs/dbraw/zinc/90/45/55/867904555.db2.gz ROGRIPHNHAJQCY-UHFFFAOYSA-N 0 0 406.427 4.064 20 5 HIBDRN C[C@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@@H]1CO ZINC000443387917 867947967 /nfs/dbraw/zinc/94/79/67/867947967.db2.gz SDNOHWHJVRKBKJ-BLLLJJGKSA-N 0 0 406.891 4.242 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000443504713 868073622 /nfs/dbraw/zinc/07/36/22/868073622.db2.gz XIRLWVAZGWLJQH-SECBINFHSA-N 0 0 410.293 4.484 20 5 HIBDRN COc1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c(O)c1 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CCNc1ccc(C(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000443974892 868503494 /nfs/dbraw/zinc/50/34/94/868503494.db2.gz XCFJKPNZEXDWLU-FQEVSTJZSA-N 0 0 411.502 4.199 20 5 HIBDRN COc1cc(C(=O)N(CCc2ccc(C)cc2)Cc2ccco2)c([N+](=O)[O-])cc1OC ZINC000443977875 868506290 /nfs/dbraw/zinc/50/62/90/868506290.db2.gz FPWMYZHUSYUJJN-UHFFFAOYSA-N 0 0 424.453 4.399 20 5 HIBDRN CCOC(=O)c1ccnc(N[C@@H](C)c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000444000391 868519790 /nfs/dbraw/zinc/51/97/90/868519790.db2.gz WICSWKBZTODASI-QMMMGPOBSA-N 0 0 400.254 4.164 20 5 HIBDRN COc1cccc(C[C@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444013049 868536610 /nfs/dbraw/zinc/53/66/10/868536610.db2.gz WMSYFQKZKPKDDG-AWEZNQCLSA-N 0 0 404.441 4.190 20 5 HIBDRN O=C(Nc1cc(F)cc(F)c1Br)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000468281804 882203811 /nfs/dbraw/zinc/20/38/11/882203811.db2.gz YUXVEGYISMLBBD-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN O=C(NCCc1cccc(F)c1F)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444015945 868540514 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O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000445996438 869959618 /nfs/dbraw/zinc/95/96/18/869959618.db2.gz PSFMMNPBLKXSPF-UHFFFAOYSA-N 0 0 418.375 4.048 20 5 HIBDRN NC(=O)c1ccccc1Oc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000446031685 869996168 /nfs/dbraw/zinc/99/61/68/869996168.db2.gz PEDDILNGGDCBJR-UHFFFAOYSA-N 0 0 405.410 4.057 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(F)cc1OC(F)F ZINC000446037490 869999952 /nfs/dbraw/zinc/99/99/52/869999952.db2.gz PEBOQBNXVSHYMN-UHFFFAOYSA-N 0 0 419.153 4.279 20 5 HIBDRN CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1F ZINC000446040143 870002471 /nfs/dbraw/zinc/00/24/71/870002471.db2.gz VRPAYSFLSJPVPQ-INIZCTEOSA-N 0 0 413.218 4.446 20 5 HIBDRN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1F ZINC000446041708 870003631 /nfs/dbraw/zinc/00/36/31/870003631.db2.gz JTVVZGNRZZLLNH-SNVBAGLBSA-N 0 0 413.218 4.098 20 5 HIBDRN CCn1c(SCCC(=O)Nc2ccc(C)cn2)nc2cc3ccccc3cc2c1=O ZINC000446052163 870015500 /nfs/dbraw/zinc/01/55/00/870015500.db2.gz HQJFMOOKDRRPOG-UHFFFAOYSA-N 0 0 418.522 4.394 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000446056199 870017845 /nfs/dbraw/zinc/01/78/45/870017845.db2.gz VQYWQHCJCJKVLH-UHFFFAOYSA-N 0 0 415.877 4.446 20 5 HIBDRN CC(C)COC[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000446085957 870032229 /nfs/dbraw/zinc/03/22/29/870032229.db2.gz XSBHBHTUVIMOCO-JTQLQIEISA-N 0 0 417.281 4.156 20 5 HIBDRN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000446084927 870032369 /nfs/dbraw/zinc/03/23/69/870032369.db2.gz KUIWLVNEKYHYLF-MFKMUULPSA-N 0 0 411.277 4.021 20 5 HIBDRN O=C(Nc1c(F)cccc1N1CCCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000446086590 870033780 /nfs/dbraw/zinc/03/37/80/870033780.db2.gz ZWNNBKYTHNLXTA-UHFFFAOYSA-N 0 0 414.256 4.410 20 5 HIBDRN COc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c2cccnc12 ZINC000446099418 870047233 /nfs/dbraw/zinc/04/72/33/870047233.db2.gz JEIQTDPQMFVTNE-UHFFFAOYSA-N 0 0 408.233 4.228 20 5 HIBDRN COc1ccccc1CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000446106520 870053976 /nfs/dbraw/zinc/05/39/76/870053976.db2.gz CELBDMMWZLFGDZ-UHFFFAOYSA-N 0 0 411.277 4.232 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN(c3cccc4cnccc43)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000446111024 870058203 /nfs/dbraw/zinc/05/82/03/870058203.db2.gz FIMOISKMEKNZTD-INIZCTEOSA-N 0 0 405.458 4.194 20 5 HIBDRN O=C(CCCC(=O)N1CCc2c1cccc2[N+](=O)[O-])c1ccc(Br)cc1 ZINC000446152081 870092327 /nfs/dbraw/zinc/09/23/27/870092327.db2.gz REDBMFCWNSDDSA-UHFFFAOYSA-N 0 0 417.259 4.300 20 5 HIBDRN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446197974 870130339 /nfs/dbraw/zinc/13/03/39/870130339.db2.gz QRDQHXQPZDJALZ-SUMWQHHRSA-N 0 0 403.276 4.304 20 5 HIBDRN C[C@@H](NC(=O)N1CCN(c2cccc3cnccc32)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000446238270 870178477 /nfs/dbraw/zinc/17/84/77/870178477.db2.gz SRYZMBXVCJBKDC-IAGOWNOFSA-N 0 0 419.485 4.124 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000446280259 870214013 /nfs/dbraw/zinc/21/40/13/870214013.db2.gz HLSAMCYILMAOHQ-XLIONFOSSA-N 0 0 403.429 4.135 20 5 HIBDRN Cc1ccc(-n2cnc3c2CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C3)cc1 ZINC000446339580 870249920 /nfs/dbraw/zinc/24/99/20/870249920.db2.gz FOXNIMSEHIPMNF-UHFFFAOYSA-N 0 0 410.861 4.249 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(Cl)cc1Cl ZINC000446378006 870287517 /nfs/dbraw/zinc/28/75/17/870287517.db2.gz DBLJZNVTPNCPFZ-SNVBAGLBSA-N 0 0 415.298 4.477 20 5 HIBDRN CCOc1cc(C(=O)NCc2ccc(C)cc2OC(C)C)c([N+](=O)[O-])cc1OC ZINC000446406739 870309520 /nfs/dbraw/zinc/30/95/20/870309520.db2.gz ROVQESFDXXYXCX-UHFFFAOYSA-N 0 0 402.447 4.028 20 5 HIBDRN C[C@H](NC(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000446405909 870309785 /nfs/dbraw/zinc/30/97/85/870309785.db2.gz NJPGXPGKHZGATJ-NSHDSACASA-N 0 0 401.373 4.156 20 5 HIBDRN C[C@@H](NC(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000446405908 870310093 /nfs/dbraw/zinc/31/00/93/870310093.db2.gz NJPGXPGKHZGATJ-LLVKDONJSA-N 0 0 401.373 4.156 20 5 HIBDRN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000446408334 870313551 /nfs/dbraw/zinc/31/35/51/870313551.db2.gz IECAINXYOPZKDS-UHFFFAOYSA-N 0 0 415.400 4.330 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cc(-c2cccnc2)on1 ZINC000446425928 870341592 /nfs/dbraw/zinc/34/15/92/870341592.db2.gz WLNJNPDBGNYLAO-UHFFFAOYSA-N 0 0 416.393 4.476 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000446437258 870356105 /nfs/dbraw/zinc/35/61/05/870356105.db2.gz FJTTZJHVMOQFNR-FQEVSTJZSA-N 0 0 410.861 4.161 20 5 HIBDRN Cc1ccc(O[C@@H](C)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(Br)c1 ZINC000446440052 870358475 /nfs/dbraw/zinc/35/84/75/870358475.db2.gz YIZFAGNDFWCXMJ-ZDUSSCGKSA-N 0 0 419.275 4.018 20 5 HIBDRN CCCOc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OCCC ZINC000446467192 870384231 /nfs/dbraw/zinc/38/42/31/870384231.db2.gz RLQIYDOFRDCPKC-UHFFFAOYSA-N 0 0 415.446 4.058 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])cc1OC ZINC000446479235 870391176 /nfs/dbraw/zinc/39/11/76/870391176.db2.gz DTDTWMRKVVFNFD-OAHLLOKOSA-N 0 0 413.474 4.093 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000446481076 870393424 /nfs/dbraw/zinc/39/34/24/870393424.db2.gz FLLPUBVOOMKFRY-UHFFFAOYSA-N 0 0 417.425 4.145 20 5 HIBDRN COc1ccc(F)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000446484690 870397443 /nfs/dbraw/zinc/39/74/43/870397443.db2.gz KHHLCNUHIPRKAV-KBPBESRZSA-N 0 0 401.438 4.477 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000446484269 870398260 /nfs/dbraw/zinc/39/82/60/870398260.db2.gz HSYWKDAKPMTGBA-ZDUSSCGKSA-N 0 0 419.279 4.066 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000446496312 870413183 /nfs/dbraw/zinc/41/31/83/870413183.db2.gz RTFCYRGYMLVMCH-MRXNPFEDSA-N 0 0 422.441 4.076 20 5 HIBDRN COc1cc(C(=O)N(C)CCSC)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000446539428 870454048 /nfs/dbraw/zinc/45/40/48/870454048.db2.gz KPXFDHMRWIELQK-UHFFFAOYSA-N 0 0 410.879 4.484 20 5 HIBDRN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000446540593 870454403 /nfs/dbraw/zinc/45/44/03/870454403.db2.gz OLOHCWUMVZOMCT-SFHVURJKSA-N 0 0 421.457 4.367 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)c1 ZINC000446617643 870518613 /nfs/dbraw/zinc/51/86/13/870518613.db2.gz NRJXIJRTDWSSDU-HXUWFJFHSA-N 0 0 417.465 4.091 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)ccc1[N+](=O)[O-] ZINC000446622802 870525673 /nfs/dbraw/zinc/52/56/73/870525673.db2.gz FZHAOUGFBQJIBV-OAQYLSRUSA-N 0 0 417.465 4.091 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)CN2CCc3ccc([N+](=O)[O-])cc3C2)c2cccs2)cc1 ZINC000446716391 870632873 /nfs/dbraw/zinc/63/28/73/870632873.db2.gz ILXGLOLRCZVILB-HSZRJFAPSA-N 0 0 421.522 4.229 20 5 HIBDRN CC[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1nc(C(F)(F)F)cs1 ZINC000446787939 870706348 /nfs/dbraw/zinc/70/63/48/870706348.db2.gz ZOYRIOJYPOVEKA-ZDUSSCGKSA-N 0 0 414.409 4.289 20 5 HIBDRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000446824767 870739678 /nfs/dbraw/zinc/73/96/78/870739678.db2.gz HDHNRMKIGAERJA-MRXNPFEDSA-N 0 0 422.485 4.200 20 5 HIBDRN Cc1cc(C)n(-c2ccc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2F)n1 ZINC000446830229 870746256 /nfs/dbraw/zinc/74/62/56/870746256.db2.gz PYOPRYHDINOCKQ-UHFFFAOYSA-N 0 0 409.421 4.127 20 5 HIBDRN C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000446892542 870811316 /nfs/dbraw/zinc/81/13/16/870811316.db2.gz MTIADHWTSVMSRN-NSHDSACASA-N 0 0 421.379 4.093 20 5 HIBDRN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446898236 870816105 /nfs/dbraw/zinc/81/61/05/870816105.db2.gz ANJPTNFKHBNEJF-XLIONFOSSA-N 0 0 407.474 4.257 20 5 HIBDRN CCc1ccc([C@@H]2CCCCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000446904066 870823035 /nfs/dbraw/zinc/82/30/35/870823035.db2.gz HRIRASCYQUZJAH-SFHVURJKSA-N 0 0 411.462 4.453 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000446908646 870825524 /nfs/dbraw/zinc/82/55/24/870825524.db2.gz PEVDGILZZMQOLR-HXUWFJFHSA-N 0 0 405.458 4.223 20 5 HIBDRN CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447025320 870900519 /nfs/dbraw/zinc/90/05/19/870900519.db2.gz CAKWZLFVKODMSN-UHFFFAOYSA-N 0 0 408.785 4.482 20 5 HIBDRN CC[C@H](c1ccncc1)N(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447031574 870906581 /nfs/dbraw/zinc/90/65/81/870906581.db2.gz YTIMEQFQJTYPIK-OAHLLOKOSA-N 0 0 417.409 4.171 20 5 HIBDRN C[C@H]1C[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447033274 870909162 /nfs/dbraw/zinc/90/91/62/870909162.db2.gz GDHTZCAYONYLMT-JSGCOSHPSA-N 0 0 414.405 4.180 20 5 HIBDRN CC(C)[C@@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c2ccccc21 ZINC000468486592 882459734 /nfs/dbraw/zinc/45/97/34/882459734.db2.gz IDEXCIQLUYQKHL-KXBFYZLASA-N 0 0 414.527 4.336 20 5 HIBDRN Cc1cnccc1OC1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000447077372 870962582 /nfs/dbraw/zinc/96/25/82/870962582.db2.gz KWXJNWJHOXIHPX-UHFFFAOYSA-N 0 0 410.499 4.465 20 5 HIBDRN CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000468487629 882463852 /nfs/dbraw/zinc/46/38/52/882463852.db2.gz ISBIZFZWNYCDJA-UHFFFAOYSA-N 0 0 406.486 4.154 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1)c1cc2ccccc2o1 ZINC000447193456 871086577 /nfs/dbraw/zinc/08/65/77/871086577.db2.gz PCWXONBXCUZRFQ-MRXNPFEDSA-N 0 0 416.437 4.288 20 5 HIBDRN Cc1c([C@@H](C)NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cnn1-c1ccc(F)cc1 ZINC000447317590 871211044 /nfs/dbraw/zinc/21/10/44/871211044.db2.gz FRRHPSMVLOICQS-CQSZACIVSA-N 0 0 423.448 4.057 20 5 HIBDRN O=C(CN[C@@H](c1ccccc1)c1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000447341215 871236677 /nfs/dbraw/zinc/23/66/77/871236677.db2.gz OGJCSKZKOJXSAU-QHCPKHFHSA-N 0 0 405.429 4.002 20 5 HIBDRN COc1cc(CN2CCN(c3cccc4cnccc43)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000447386817 871294101 /nfs/dbraw/zinc/29/41/01/871294101.db2.gz RPUNGGMHGDOLBI-OAHLLOKOSA-N 0 0 410.449 4.001 20 5 HIBDRN O=C([C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1)N1CCCCC1 ZINC000447398574 871309233 /nfs/dbraw/zinc/30/92/33/871309233.db2.gz SJDPCENPCFLVTB-LJQANCHMSA-N 0 0 421.419 4.457 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(c2c(Cl)cccc2Cl)CCC1 ZINC000447455612 871345996 /nfs/dbraw/zinc/34/59/96/871345996.db2.gz XSOOXNVOFNXCNL-UHFFFAOYSA-N 0 0 422.268 4.344 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)n1cccn1 ZINC000447583006 871485798 /nfs/dbraw/zinc/48/57/98/871485798.db2.gz AOILXBYRDACLAT-QVKFZJNVSA-N 0 0 405.458 4.481 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)n1cccn1 ZINC000447583010 871490753 /nfs/dbraw/zinc/49/07/53/871490753.db2.gz AOILXBYRDACLAT-YCRPNKLZSA-N 0 0 405.458 4.481 20 5 HIBDRN O=C1CCc2cc(N[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)ccc2N1CC1CC1 ZINC000447599303 871504485 /nfs/dbraw/zinc/50/44/85/871504485.db2.gz JXIVUUVCQZPEPF-AZUAARDMSA-N 0 0 409.490 4.076 20 5 HIBDRN CC(C)OCCOCc1cccc(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447601564 871506240 /nfs/dbraw/zinc/50/62/40/871506240.db2.gz QIKJBELNNKNEHS-WOJBJXKFSA-N 0 0 402.495 4.329 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H](CCO)c1ccccc1Br)CCC2 ZINC000447607070 871514279 /nfs/dbraw/zinc/51/42/79/871514279.db2.gz POBVPBGHFFCLPN-OALUTQOASA-N 0 0 405.292 4.448 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Oc1ccc(-n2cncn2)cc1 ZINC000447669999 871599562 /nfs/dbraw/zinc/59/95/62/871599562.db2.gz LLGMWMYIZFFXNR-UHFFFAOYSA-N 0 0 401.251 4.017 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCO[C@H](c2cccs2)C1 ZINC000447677661 871609510 /nfs/dbraw/zinc/60/95/10/871609510.db2.gz VRWQKUZTAORLKN-NSHDSACASA-N 0 0 409.336 4.283 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000447683419 871613496 /nfs/dbraw/zinc/61/34/96/871613496.db2.gz PVXFEAXBDFOLOC-LJQANCHMSA-N 0 0 404.426 4.027 20 5 HIBDRN Cc1noc(C2CCC(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC2)n1 ZINC000447685475 871616098 /nfs/dbraw/zinc/61/60/98/871616098.db2.gz LNXIGPOHGUAWMN-UHFFFAOYSA-N 0 0 421.326 4.474 20 5 HIBDRN COc1ccc(OC)c(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC000447688320 871621097 /nfs/dbraw/zinc/62/10/97/871621097.db2.gz XAUMGPDGPASRFW-UHFFFAOYSA-N 0 0 407.295 4.273 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000447688078 871621202 /nfs/dbraw/zinc/62/12/02/871621202.db2.gz WPGGFRBRLFEMDD-LJQANCHMSA-N 0 0 405.410 4.076 20 5 HIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000447690816 871624126 /nfs/dbraw/zinc/62/41/26/871624126.db2.gz LQNNSDOBQLUFBK-UHFFFAOYSA-N 0 0 422.254 4.213 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@H](O)CCc1ccccc1 ZINC000447690958 871626078 /nfs/dbraw/zinc/62/60/78/871626078.db2.gz MVRDTMKZEKBTHN-GFCCVEGCSA-N 0 0 405.323 4.050 20 5 HIBDRN CN(C[C@H]1OCCc2ccccc21)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447695840 871636269 /nfs/dbraw/zinc/63/62/69/871636269.db2.gz YWHDHPVTLNAVLI-OAHLLOKOSA-N 0 0 417.334 4.394 20 5 HIBDRN Cc1ccc(-c2nc(CNc3cc(CN4CCOCC4)ccc3[N+](=O)[O-])co2)cc1 ZINC000447806803 871740355 /nfs/dbraw/zinc/74/03/55/871740355.db2.gz ODQWTVOODUVSMD-UHFFFAOYSA-N 0 0 408.458 4.003 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H](c1ccccc1)c1ccccn1 ZINC000447810173 871743572 /nfs/dbraw/zinc/74/35/72/871743572.db2.gz GYERCZPDIUHIOJ-QHCPKHFHSA-N 0 0 404.470 4.024 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@H](c1ccccc1)C(F)(F)F ZINC000447814359 871746093 /nfs/dbraw/zinc/74/60/93/871746093.db2.gz XIYQVNCUQKRTJO-QGZVFWFLSA-N 0 0 409.408 4.185 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc([N+](=O)[O-])c1 ZINC000447864253 871788862 /nfs/dbraw/zinc/78/88/62/871788862.db2.gz DKJHMZRJOSQAJP-UHFFFAOYSA-N 0 0 412.402 4.061 20 5 HIBDRN Cc1c(C(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000447867522 871791174 /nfs/dbraw/zinc/79/11/74/871791174.db2.gz XIXJLMNJUDWJJF-HXUWFJFHSA-N 0 0 411.437 4.092 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCOC2(CCCCC2)C1 ZINC000468528435 882548447 /nfs/dbraw/zinc/54/84/47/882548447.db2.gz CRBALZMDPLJYGU-UHFFFAOYSA-N 0 0 412.436 4.135 20 5 HIBDRN CCc1c(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1-c1ccccc1C ZINC000447890934 871804021 /nfs/dbraw/zinc/80/40/21/871804021.db2.gz NLKUCYNGUFSQPR-UHFFFAOYSA-N 0 0 404.430 4.313 20 5 HIBDRN CCOc1ccc(-c2nc(CS(=O)(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)co2)cc1 ZINC000448047040 871878261 /nfs/dbraw/zinc/87/82/61/871878261.db2.gz CWNYACGYOCGTFA-CQSZACIVSA-N 0 0 416.455 4.325 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000448095588 871935712 /nfs/dbraw/zinc/93/57/12/871935712.db2.gz ALZPAUMHCSNLSC-UHFFFAOYSA-N 0 0 406.467 4.415 20 5 HIBDRN Cc1ccc(C2=NN(C(=O)CSc3ccc([N+](=O)[O-])cn3)[C@H](c3ccco3)C2)cc1 ZINC000448113545 871964347 /nfs/dbraw/zinc/96/43/47/871964347.db2.gz ZDQPRVDFVNHGDC-SFHVURJKSA-N 0 0 422.466 4.361 20 5 HIBDRN C[C@@H](c1nccs1)N1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000468536952 882569249 /nfs/dbraw/zinc/56/92/49/882569249.db2.gz OJZQNYBCIUIRLS-AWEZNQCLSA-N 0 0 415.544 4.054 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000468549471 882591669 /nfs/dbraw/zinc/59/16/69/882591669.db2.gz UMNREYGLNFOGTI-QRWLVFNGSA-N 0 0 412.490 4.050 20 5 HIBDRN Cc1cccc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000468556557 882603705 /nfs/dbraw/zinc/60/37/05/882603705.db2.gz WDXAHORBEWCXKF-INIZCTEOSA-N 0 0 418.291 4.382 20 5 HIBDRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000448400276 872348389 /nfs/dbraw/zinc/34/83/89/872348389.db2.gz QKFSQYDUPKQQIL-UHFFFAOYSA-N 0 0 417.771 4.249 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000448430721 872379947 /nfs/dbraw/zinc/37/99/47/872379947.db2.gz FXUAJHMOTPYFIS-RDTXWAMCSA-N 0 0 416.474 4.479 20 5 HIBDRN Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000448454014 872400868 /nfs/dbraw/zinc/40/08/68/872400868.db2.gz GAQLNJIFCPBQEQ-UHFFFAOYSA-N 0 0 424.310 4.292 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCO[C@@H](C(C)(C)C)C3)cc2[N+](=O)[O-])n1 ZINC000468561246 882617576 /nfs/dbraw/zinc/61/75/76/882617576.db2.gz SREBBITVKIUEMB-MRXNPFEDSA-N 0 0 421.544 4.398 20 5 HIBDRN Cc1c(F)ccc(Cl)c1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000448515556 872498518 /nfs/dbraw/zinc/49/85/18/872498518.db2.gz RDTWYLOJOWGCGE-UHFFFAOYSA-N 0 0 421.841 4.228 20 5 HIBDRN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000460147418 872660684 /nfs/dbraw/zinc/66/06/84/872660684.db2.gz AAGZMJGKSAGKMR-QFIPXVFZSA-N 0 0 411.408 4.449 20 5 HIBDRN CC[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1cccc(Br)c1 ZINC000460148854 872667618 /nfs/dbraw/zinc/66/76/18/872667618.db2.gz MWDBNRIUWCCZDK-CQSZACIVSA-N 0 0 405.292 4.285 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000460207283 872787245 /nfs/dbraw/zinc/78/72/45/872787245.db2.gz SXOUJCZGAVUQQF-FOIQADDNSA-N 0 0 407.474 4.469 20 5 HIBDRN CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000460206959 872788149 /nfs/dbraw/zinc/78/81/49/872788149.db2.gz QPWKRGJUYZUHAC-OALUTQOASA-N 0 0 413.522 4.294 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1ccccc1)CC1CCOCC1 ZINC000460206531 872788267 /nfs/dbraw/zinc/78/82/67/872788267.db2.gz OSSKGXGUGBJNNS-UHFFFAOYSA-N 0 0 421.501 4.306 20 5 HIBDRN CC1(C)CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@H]1O ZINC000468578113 882651604 /nfs/dbraw/zinc/65/16/04/882651604.db2.gz NVFOOXIXOLIEDU-MRXNPFEDSA-N 0 0 406.891 4.242 20 5 HIBDRN CCn1c(-c2ccc(OC)c(OC)c2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000460238472 872827363 /nfs/dbraw/zinc/82/73/63/872827363.db2.gz PBXFHTVDTWHQHS-UHFFFAOYSA-N 0 0 423.473 4.059 20 5 HIBDRN Cc1c(CSC(C)C)cccc1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000460246462 872833612 /nfs/dbraw/zinc/83/36/12/872833612.db2.gz PEWVKRSTCHMZDU-UHFFFAOYSA-N 0 0 415.471 4.091 20 5 HIBDRN CCn1c(Cn2ccc3ccccc32)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000460265933 872854983 /nfs/dbraw/zinc/85/49/83/872854983.db2.gz SBBKMURJTXWABR-UHFFFAOYSA-N 0 0 416.485 4.378 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000460270911 872860601 /nfs/dbraw/zinc/86/06/01/872860601.db2.gz OUDDPSFPSBEWFW-UHFFFAOYSA-N 0 0 408.439 4.216 20 5 HIBDRN CCn1c(COCc2ccccc2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000460296990 872887384 /nfs/dbraw/zinc/88/73/84/872887384.db2.gz KQNZUSALRUPKLO-UHFFFAOYSA-N 0 0 407.474 4.092 20 5 HIBDRN CC[C@H](Cc1ccccc1)N(C)C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000460302238 872891967 /nfs/dbraw/zinc/89/19/67/872891967.db2.gz ULUDVRMTHIFBSP-GOSISDBHSA-N 0 0 402.516 4.316 20 5 HIBDRN CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000460313776 872899549 /nfs/dbraw/zinc/89/95/49/872899549.db2.gz UXOKEXAUSLTPJX-UHFFFAOYSA-N 0 0 402.458 4.100 20 5 HIBDRN Cc1cnc([C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)s1 ZINC000460328894 872931246 /nfs/dbraw/zinc/93/12/46/872931246.db2.gz JXPSOLLAVRSIJD-OAHLLOKOSA-N 0 0 400.485 4.364 20 5 HIBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000468587760 882670452 /nfs/dbraw/zinc/67/04/52/882670452.db2.gz NHYQYXBIOGKOKG-HNNXBMFYSA-N 0 0 404.264 4.074 20 5 HIBDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000460357201 872981505 /nfs/dbraw/zinc/98/15/05/872981505.db2.gz RKEPPKMTDTVPIJ-GIWSNZPPSA-N 0 0 411.483 4.077 20 5 HIBDRN CCOc1ccc(OCCCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000460366763 873001867 /nfs/dbraw/zinc/00/18/67/873001867.db2.gz ZVMXFIABTDVAPB-NRFANRHFSA-N 0 0 416.499 4.427 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cccc1[N+](=O)[O-] ZINC000468591762 882680025 /nfs/dbraw/zinc/68/00/25/882680025.db2.gz YESBBFOFZUJULF-INIZCTEOSA-N 0 0 418.291 4.382 20 5 HIBDRN Cc1nn(C)c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCCCC2)c1[N+](=O)[O-] ZINC000460414336 873070839 /nfs/dbraw/zinc/07/08/39/873070839.db2.gz AEOQNZBLWUWNAA-UHFFFAOYSA-N 0 0 410.396 4.245 20 5 HIBDRN CCOc1cc(C(=O)N(C)[C@H](CC)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000460444847 873113927 /nfs/dbraw/zinc/11/39/27/873113927.db2.gz QBSYFLBKNHZARW-QGZVFWFLSA-N 0 0 400.475 4.404 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000460453531 873130913 /nfs/dbraw/zinc/13/09/13/873130913.db2.gz WNUYMZBIOHZGAJ-IBGZPJMESA-N 0 0 404.850 4.455 20 5 HIBDRN COC(=O)CCSc1ncccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000460459501 873138637 /nfs/dbraw/zinc/13/86/37/873138637.db2.gz RFWYJJLZUBHOMF-UHFFFAOYSA-N 0 0 417.487 4.195 20 5 HIBDRN CC(C)(C)Cc1nc(-c2cccc(C(=O)NCCc3ccccc3[N+](=O)[O-])c2)no1 ZINC000460488498 873173752 /nfs/dbraw/zinc/17/37/52/873173752.db2.gz JKZVBCJKQCSELZ-UHFFFAOYSA-N 0 0 408.458 4.206 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000460493284 873178641 /nfs/dbraw/zinc/17/86/41/873178641.db2.gz RIFAJGVJMNHCAQ-UHFFFAOYSA-N 0 0 410.451 4.067 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCCCc3ccccc32)cc1OC ZINC000460496022 873181698 /nfs/dbraw/zinc/18/16/98/873181698.db2.gz QAHVNXHMGABCRE-UHFFFAOYSA-N 0 0 414.458 4.002 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H](C)Cc3cc(C)cc(C)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000460503638 873190367 /nfs/dbraw/zinc/19/03/67/873190367.db2.gz VILITILLKVFOBN-KRWDZBQOSA-N 0 0 420.513 4.434 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC000460522919 873215089 /nfs/dbraw/zinc/21/50/89/873215089.db2.gz FVNIVCDPJVUQDM-QGZVFWFLSA-N 0 0 418.877 4.082 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000460558664 873281846 /nfs/dbraw/zinc/28/18/46/873281846.db2.gz XSGAVVURPCFHCA-IBGZPJMESA-N 0 0 403.429 4.091 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000460572298 873306921 /nfs/dbraw/zinc/30/69/21/873306921.db2.gz BIRROVWXJNLUCS-GEDNVKPRSA-N 0 0 404.850 4.393 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@@H](C)CO2)c1 ZINC000460580237 873315625 /nfs/dbraw/zinc/31/56/25/873315625.db2.gz FQPBMLNDTZDJCX-JTSKRJEESA-N 0 0 407.470 4.155 20 5 HIBDRN COCC[C@@H]1CCCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)C1 ZINC000460610082 873353418 /nfs/dbraw/zinc/35/34/18/873353418.db2.gz WVEUFRYEUOLHNN-KRWDZBQOSA-N 0 0 401.511 4.152 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCOc2ccc(Cl)cc21 ZINC000460623024 873365280 /nfs/dbraw/zinc/36/52/80/873365280.db2.gz VCGDSHKQDMGTND-UHFFFAOYSA-N 0 0 404.853 4.234 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000460710537 873495153 /nfs/dbraw/zinc/49/51/53/873495153.db2.gz BBMXWXXSINAIDY-UTKZUKDTSA-N 0 0 421.501 4.477 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1CC(C)C ZINC000460724606 873530683 /nfs/dbraw/zinc/53/06/83/873530683.db2.gz OJKKYYWOMVYTBT-IBGZPJMESA-N 0 0 401.511 4.295 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)[C@H]1c1ccccc1 ZINC000460795186 873663669 /nfs/dbraw/zinc/66/36/69/873663669.db2.gz YYENXKPPYYFPAW-UWJYYQICSA-N 0 0 421.501 4.477 20 5 HIBDRN C[C@@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000460850910 873749466 /nfs/dbraw/zinc/74/94/66/873749466.db2.gz BWTDEIGACXYLLK-SNVBAGLBSA-N 0 0 416.787 4.341 20 5 HIBDRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000460935190 873836359 /nfs/dbraw/zinc/83/63/59/873836359.db2.gz RMCWIEJLWHMMMM-WMLDXEAASA-N 0 0 413.503 4.291 20 5 HIBDRN CC(C)N(Cc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000460935976 873836621 /nfs/dbraw/zinc/83/66/21/873836621.db2.gz SDMLCFMQSNGKQG-LJQANCHMSA-N 0 0 411.462 4.040 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)OCCc2sccc21 ZINC000460982678 873872722 /nfs/dbraw/zinc/87/27/22/873872722.db2.gz TWZLNTAOYKEQIL-IBGZPJMESA-N 0 0 406.529 4.376 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCC4(CCOCC4)C3)cc2[N+](=O)[O-])C1 ZINC000461006990 873882183 /nfs/dbraw/zinc/88/21/83/873882183.db2.gz OKRGPDZKLVNWON-QZTJIDSGSA-N 0 0 415.534 4.110 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccn2)cc1 ZINC000461018677 873887995 /nfs/dbraw/zinc/88/79/95/873887995.db2.gz XKZMUGUQWVQVNC-UHFFFAOYSA-N 0 0 405.454 4.322 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3c3ccccc3)n2C[C@@H]2CCCO2)c1 ZINC000461060875 873940443 /nfs/dbraw/zinc/94/04/43/873940443.db2.gz FRIBIEORBBREKQ-LEWJYISDSA-N 0 0 419.485 4.374 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)c(C)c1[N+](=O)[O-] ZINC000461083807 873993544 /nfs/dbraw/zinc/99/35/44/873993544.db2.gz KJBYBJWQLPXCRC-UHFFFAOYSA-N 0 0 405.867 4.214 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000461116326 874042148 /nfs/dbraw/zinc/04/21/48/874042148.db2.gz KCFKPGKYLJZYTR-UHFFFAOYSA-N 0 0 422.268 4.246 20 5 HIBDRN C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)c2ccccc21 ZINC000461123194 874052252 /nfs/dbraw/zinc/05/22/52/874052252.db2.gz IBJZYGGDFQVZGY-YJBOKZPZSA-N 0 0 405.458 4.288 20 5 HIBDRN C[C@H]1c2ccccc2CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 ZINC000461149529 874096074 /nfs/dbraw/zinc/09/60/74/874096074.db2.gz GLQZTKICBKGBBR-HNAYVOBHSA-N 0 0 405.458 4.114 20 5 HIBDRN Cn1cc(C(=O)Nc2nc3c(s2)CCCC3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461232095 874231175 /nfs/dbraw/zinc/23/11/75/874231175.db2.gz DVEMBULVEXTDKO-UHFFFAOYSA-N 0 0 411.487 4.318 20 5 HIBDRN Cc1noc(C)c1CSc1ccccc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000461253188 874257803 /nfs/dbraw/zinc/25/78/03/874257803.db2.gz FWVSPBTYXBWIAM-UHFFFAOYSA-N 0 0 411.483 4.464 20 5 HIBDRN Cc1nn(C)c(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)c1[N+](=O)[O-] ZINC000461256080 874261398 /nfs/dbraw/zinc/26/13/98/874261398.db2.gz GQMSNLAQDDMPRR-AWEZNQCLSA-N 0 0 412.412 4.043 20 5 HIBDRN CCn1nc(C)c(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1C ZINC000461304433 874310246 /nfs/dbraw/zinc/31/02/46/874310246.db2.gz BFKBHULLKWHSKF-CYBMUJFWSA-N 0 0 408.462 4.248 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CC4(CCC4)[C@@H]3[C@H]3CCCO3)cc2[N+](=O)[O-])C1 ZINC000461308659 874315468 /nfs/dbraw/zinc/31/54/68/874315468.db2.gz UXHWLZICFYFBNQ-HBGVWJBISA-N 0 0 413.518 4.005 20 5 HIBDRN Cc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2Cc2cccs2)o1 ZINC000461316171 874325134 /nfs/dbraw/zinc/32/51/34/874325134.db2.gz FIGACQPZJPYJHK-UHFFFAOYSA-N 0 0 421.482 4.427 20 5 HIBDRN CN(CC1CCCC1)C(=O)c1cc(C(=O)N(C)CC2CCCC2)cc([N+](=O)[O-])c1 ZINC000461343045 874352625 /nfs/dbraw/zinc/35/26/25/874352625.db2.gz SZHAQFGCCHJNIZ-UHFFFAOYSA-N 0 0 401.507 4.119 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000468701768 882820865 /nfs/dbraw/zinc/82/08/65/882820865.db2.gz RBCIVEOQUMEBAO-CYBMUJFWSA-N 0 0 422.416 4.059 20 5 HIBDRN CC(C)(C)C[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461367805 874370594 /nfs/dbraw/zinc/37/05/94/874370594.db2.gz UODFBZDQQSSLHX-QFBILLFUSA-N 0 0 413.522 4.295 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Sc2ccncc2)cc1 ZINC000468705203 882822134 /nfs/dbraw/zinc/82/21/34/882822134.db2.gz HODKVDUYHUFLLH-UHFFFAOYSA-N 0 0 402.453 4.337 20 5 HIBDRN O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000461377742 874383748 /nfs/dbraw/zinc/38/37/48/874383748.db2.gz NKAXWZYMAMZHOL-UHFFFAOYSA-N 0 0 404.348 4.299 20 5 HIBDRN Cc1cc(C)cc(N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)c1 ZINC000461378410 874384578 /nfs/dbraw/zinc/38/45/78/874384578.db2.gz XUTNLQZLIRTJNP-QGZVFWFLSA-N 0 0 407.474 4.275 20 5 HIBDRN Cc1cnn([C@H]2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])C2)c1 ZINC000461381232 874387152 /nfs/dbraw/zinc/38/71/52/874387152.db2.gz CEASENIMHGHBHS-INIZCTEOSA-N 0 0 408.483 4.338 20 5 HIBDRN O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCOc2ccc([N+](=O)[O-])cc2C1 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NZBNAMJBLUMGSB-UHFFFAOYSA-N 0 0 407.426 4.025 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N(CCO)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000461461310 874521238 /nfs/dbraw/zinc/52/12/38/874521238.db2.gz UAWPNEOHXRIVAI-UHFFFAOYSA-N 0 0 405.454 4.154 20 5 HIBDRN C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1 ZINC000461502714 874577659 /nfs/dbraw/zinc/57/76/59/874577659.db2.gz LUXQMBVPBSOELZ-KGLIPLIRSA-N 0 0 415.544 4.293 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)(c3ccc(C)cc3)C2)cc1SC ZINC000468753594 882843377 /nfs/dbraw/zinc/84/33/77/882843377.db2.gz ACILDYLHSTTZTC-OAQYLSRUSA-N 0 0 400.500 4.438 20 5 HIBDRN O=C(Nc1cccc(Oc2cccnn2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000461528373 874613891 /nfs/dbraw/zinc/61/38/91/874613891.db2.gz BLUZNONPSGWXFZ-UHFFFAOYSA-N 0 0 419.441 4.032 20 5 HIBDRN CC(C)(C)C[C@@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 ZINC000461537133 874623955 /nfs/dbraw/zinc/62/39/55/874623955.db2.gz SQJOKWBPSILPJE-APWZRJJASA-N 0 0 413.522 4.295 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@H]3C3CCCC3)n2C[C@H]2CCOC2)cc1 ZINC000461558410 874649471 /nfs/dbraw/zinc/64/94/71/874649471.db2.gz ISARRZDLBMGHLW-OXQOHEQNSA-N 0 0 411.506 4.049 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)[C@@H]1c1ccccc1 ZINC000461561095 874655076 /nfs/dbraw/zinc/65/50/76/874655076.db2.gz MFZMFXYRUVZUNQ-LZJOCLMNSA-N 0 0 419.485 4.087 20 5 HIBDRN CCOc1ccc(Nc2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)cc1 ZINC000461617672 874765645 /nfs/dbraw/zinc/76/56/45/874765645.db2.gz WCSBDJPCWJEGCO-OAHLLOKOSA-N 0 0 409.446 4.032 20 5 HIBDRN O=C(NC[C@H](CO)C1CC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000461627354 874781927 /nfs/dbraw/zinc/78/19/27/874781927.db2.gz NZOMIVBNPAHTQG-CYBMUJFWSA-N 0 0 406.891 4.148 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000461646308 874803670 /nfs/dbraw/zinc/80/36/70/874803670.db2.gz LACXGEYTQDJZAZ-OAHLLOKOSA-N 0 0 408.911 4.424 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3C3CCC3)n2C[C@@H]2CCCCO2)c1 ZINC000461654967 874808980 /nfs/dbraw/zinc/80/89/80/874808980.db2.gz CSHZUUCJRJMNQG-VQTJNVASSA-N 0 0 411.506 4.191 20 5 HIBDRN C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCCO1 ZINC000461677476 874827724 /nfs/dbraw/zinc/82/77/24/874827724.db2.gz CUVFUFRHJYGUAM-MAUKXSAKSA-N 0 0 411.462 4.213 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C)CCCC3)cc1OC ZINC000461700750 874850478 /nfs/dbraw/zinc/85/04/78/874850478.db2.gz MJOHLEKOCNJZJD-UHFFFAOYSA-N 0 0 420.487 4.130 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000468815777 882873466 /nfs/dbraw/zinc/87/34/66/882873466.db2.gz CSNSIXOXUDIXMB-QGZVFWFLSA-N 0 0 412.461 4.424 20 5 HIBDRN Cc1cc(N2CCCN(Cc3cscn3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461773575 874902462 /nfs/dbraw/zinc/90/24/62/874902462.db2.gz JEDWWBNYFJIZCA-UHFFFAOYSA-N 0 0 400.426 4.091 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(c2nnc(C3CCC3)n2C[C@@H]2CCCCO2)C2CC2)c1 ZINC000461834076 874967707 /nfs/dbraw/zinc/96/77/07/874967707.db2.gz PMFJFAQSXBHJBQ-FQEVSTJZSA-N 0 0 411.506 4.192 20 5 HIBDRN Cc1cc(N2CCC[C@](CO)(Cc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461868002 875018075 /nfs/dbraw/zinc/01/80/75/875018075.db2.gz XOWTWOVVRMQDJP-DEOSSOPVSA-N 0 0 418.497 4.182 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2C[C@H]2CCCCO2)c1 ZINC000461871337 875022409 /nfs/dbraw/zinc/02/24/09/875022409.db2.gz KDJLMBCUHQXGKW-DBVUQKKJSA-N 0 0 411.506 4.191 20 5 HIBDRN Cc1cc(NCc2ccncc2OC[C@@H]2CCOC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461881520 875033901 /nfs/dbraw/zinc/03/39/01/875033901.db2.gz IZXZBMZTORLSNP-CYBMUJFWSA-N 0 0 411.380 4.344 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1c1cc(C)c([N+](=O)[O-])cc1F ZINC000461946029 875078192 /nfs/dbraw/zinc/07/81/92/875078192.db2.gz YSLKSEDGTBXHJM-QFIPXVFZSA-N 0 0 424.476 4.482 20 5 HIBDRN Cc1c(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000462109998 875216150 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876749823 /nfs/dbraw/zinc/74/98/23/876749823.db2.gz SRKVRHQXRWTQNC-UHFFFAOYSA-N 0 0 416.602 4.129 20 5 HIBDRN Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463641536 876761218 /nfs/dbraw/zinc/76/12/18/876761218.db2.gz ANJZMWMZJMANFA-HUUCEWRRSA-N 0 0 416.359 4.248 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000468999362 883066486 /nfs/dbraw/zinc/06/64/86/883066486.db2.gz NYNOXPOKNSAIEZ-RYUDHWBXSA-N 0 0 422.279 4.044 20 5 HIBDRN Cc1ccn(C)c(=O)c1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000469001231 883066866 /nfs/dbraw/zinc/06/68/66/883066866.db2.gz NSNNINKSDCSPQZ-UHFFFAOYSA-N 0 0 413.817 4.300 20 5 HIBDRN Cn1nc(-c2ccncc2)cc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000463912894 877033749 /nfs/dbraw/zinc/03/37/49/877033749.db2.gz QAAFPUXRAHNPPQ-UHFFFAOYSA-N 0 0 414.425 4.386 20 5 HIBDRN Cc1ccc(O[C@H](C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000463914219 877035465 /nfs/dbraw/zinc/03/54/65/877035465.db2.gz FPPLARNBJHOQJP-GOSISDBHSA-N 0 0 400.478 4.047 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000463944432 877064884 /nfs/dbraw/zinc/06/48/84/877064884.db2.gz OVFQNIBRTCHIRE-HZPDHXFCSA-N 0 0 415.465 4.168 20 5 HIBDRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)ccc2NC1=O ZINC000463958113 877081073 /nfs/dbraw/zinc/08/10/73/877081073.db2.gz MEAOADPGYUBRPM-FZKQIMNGSA-N 0 0 412.446 4.204 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000463960644 877084566 /nfs/dbraw/zinc/08/45/66/877084566.db2.gz XAXFKBNCMBSTHZ-UHFFFAOYSA-N 0 0 422.485 4.045 20 5 HIBDRN COc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2n1 ZINC000463997366 877133259 /nfs/dbraw/zinc/13/32/59/877133259.db2.gz PCIGYHITPMYKMQ-UHFFFAOYSA-N 0 0 405.332 4.100 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000464011968 877146846 /nfs/dbraw/zinc/14/68/46/877146846.db2.gz PCLJJWHXQKBPQD-QFIPXVFZSA-N 0 0 417.465 4.364 20 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CCc1cnc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 ZINC000464087121 877239257 /nfs/dbraw/zinc/23/92/57/877239257.db2.gz YSTLWUSZMATZNH-UHFFFAOYSA-N 0 0 412.258 4.359 20 5 HIBDRN COc1cc(CNc2cc(Cl)ccc2N2CCC(CO)CC2)c([N+](=O)[O-])cc1F ZINC000464095872 877251123 /nfs/dbraw/zinc/25/11/23/877251123.db2.gz OXEBRNLFSTZYAN-UHFFFAOYSA-N 0 0 423.872 4.217 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000464109338 877264326 /nfs/dbraw/zinc/26/43/26/877264326.db2.gz URNOBGGCSUFXLD-UHFFFAOYSA-N 0 0 405.458 4.064 20 5 HIBDRN CSc1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)c2cc(F)ccc2F)c1 ZINC000464123692 877279942 /nfs/dbraw/zinc/27/99/42/877279942.db2.gz VNHYQSPZJRWETB-GOSISDBHSA-N 0 0 403.410 4.442 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Br)ccc2NC2CC2)ccc1[N+](=O)[O-] ZINC000469043153 883114798 /nfs/dbraw/zinc/11/47/98/883114798.db2.gz UXZPZECOMZIIGA-UHFFFAOYSA-N 0 0 406.236 4.193 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464134006 877293582 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4.271 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000503247903 912227216 /nfs/dbraw/zinc/22/72/16/912227216.db2.gz SROSDZARYITZII-LBPRGKRZSA-N 0 0 419.791 4.138 20 5 HIBDRN COc1cc(OCC(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000464207042 877377321 /nfs/dbraw/zinc/37/73/21/877377321.db2.gz AWUGVEKTWBUIJI-QFIPXVFZSA-N 0 0 418.449 4.308 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000464248394 877426233 /nfs/dbraw/zinc/42/62/33/877426233.db2.gz HBYUVLBZWIZSIK-ZDUSSCGKSA-N 0 0 405.435 4.439 20 5 HIBDRN COc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000464250776 877429542 /nfs/dbraw/zinc/42/95/42/877429542.db2.gz DWGFHXQIGPLKJC-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(S[C@H]3CCCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000503253822 912233768 /nfs/dbraw/zinc/23/37/68/912233768.db2.gz KHPIZCXVONDMCQ-HNNXBMFYSA-N 0 0 422.528 4.284 20 5 HIBDRN 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ZINC000464421835 877630354 /nfs/dbraw/zinc/63/03/54/877630354.db2.gz ODZSKPPSRWEDOO-CQSZACIVSA-N 0 0 408.785 4.172 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(COc2ccccc2F)on1 ZINC000464436715 877649605 /nfs/dbraw/zinc/64/96/05/877649605.db2.gz LELIKXJFAGJCFQ-UHFFFAOYSA-N 0 0 423.303 4.155 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000464460076 877680897 /nfs/dbraw/zinc/68/08/97/877680897.db2.gz JQNHLJIIZNJQNR-MRXNPFEDSA-N 0 0 408.457 4.262 20 5 HIBDRN COc1cc(CN2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000464478099 877698020 /nfs/dbraw/zinc/69/80/20/877698020.db2.gz CVEIZVPUSNSCLG-GOSISDBHSA-N 0 0 414.355 4.335 20 5 HIBDRN O=C(N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1cc2ccccc2c2cccnc12 ZINC000464522020 877741176 /nfs/dbraw/zinc/74/11/76/877741176.db2.gz KLBKYNHWPUROSU-UCFCWBNQSA-N 0 0 421.500 4.275 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccs2)nn1C ZINC000464526689 877743563 /nfs/dbraw/zinc/74/35/63/877743563.db2.gz UBNRZIFXWSSYCJ-UHFFFAOYSA-N 0 0 403.489 4.206 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000464548516 877764042 /nfs/dbraw/zinc/76/40/42/877764042.db2.gz KUOZJOZDFLDGGF-QVKFZJNVSA-N 0 0 404.470 4.290 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1S(=O)(=O)C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000464566713 877785186 /nfs/dbraw/zinc/78/51/86/877785186.db2.gz FJVGGGPUNCXJTA-CYBMUJFWSA-N 0 0 420.462 4.192 20 5 HIBDRN CSc1ccc(C(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000464600366 877828982 /nfs/dbraw/zinc/82/89/82/877828982.db2.gz DBSMWLWJOWMKMC-IBGZPJMESA-N 0 0 414.527 4.489 20 5 HIBDRN O=C(c1csc(-c2ccccc2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464628703 877846276 /nfs/dbraw/zinc/84/62/76/877846276.db2.gz JECVXDCEIJCQMB-UHFFFAOYSA-N 0 0 409.467 4.402 20 5 HIBDRN O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464631629 877849137 /nfs/dbraw/zinc/84/91/37/877849137.db2.gz UZDZRFUNSVOPBO-UHFFFAOYSA-N 0 0 414.845 4.094 20 5 HIBDRN 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ZINC000464709374 877932285 /nfs/dbraw/zinc/93/22/85/877932285.db2.gz KMPCBUSHKYWARD-GOSISDBHSA-N 0 0 420.387 4.438 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000464711949 877936355 /nfs/dbraw/zinc/93/63/55/877936355.db2.gz NXJPMGSXASCWLS-UHFFFAOYSA-N 0 0 401.422 4.264 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)CCCCCNC(=O)NC1CCCCC1 ZINC000464713380 877938606 /nfs/dbraw/zinc/93/86/06/877938606.db2.gz QPDLLQIETSAMGA-UHFFFAOYSA-N 0 0 404.511 4.288 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000464720141 877947119 /nfs/dbraw/zinc/94/71/19/877947119.db2.gz ODOGXFWORTWTSZ-UHFFFAOYSA-N 0 0 416.484 4.109 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(I)c1 ZINC000464722518 877950829 /nfs/dbraw/zinc/95/08/29/877950829.db2.gz GVDIZJMQMHBWMY-UHFFFAOYSA-N 0 0 410.211 4.323 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000464738094 877973607 /nfs/dbraw/zinc/97/36/07/877973607.db2.gz NYSFWVFGQSLCNF-JOCHJYFZSA-N 0 0 417.465 4.342 20 5 HIBDRN CCOc1cc(C)ccc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464748326 877984659 /nfs/dbraw/zinc/98/46/59/877984659.db2.gz VVXMBDCYUDAKMI-UHFFFAOYSA-N 0 0 413.474 4.055 20 5 HIBDRN O=C(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc2ccccc21 ZINC000464775138 878017494 /nfs/dbraw/zinc/01/74/94/878017494.db2.gz KVPZLRHLGZEYCY-UHFFFAOYSA-N 0 0 405.454 4.230 20 5 HIBDRN O=[N+]([O-])c1ccc(OC2CCN(Cc3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000464779696 878024950 /nfs/dbraw/zinc/02/49/50/878024950.db2.gz VQOFIKOXPFWNNX-UHFFFAOYSA-N 0 0 402.401 4.383 20 5 HIBDRN O=C(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(Cl)cc1Cl ZINC000464782574 878027224 /nfs/dbraw/zinc/02/72/24/878027224.db2.gz YGAJOOWPOXTAIP-UHFFFAOYSA-N 0 0 424.284 4.384 20 5 HIBDRN CCC[C@@H](NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000464784904 878032647 /nfs/dbraw/zinc/03/26/47/878032647.db2.gz KGUIFHKGEQBTDX-JOCHJYFZSA-N 0 0 411.502 4.096 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)cc1OC ZINC000464793343 878040345 /nfs/dbraw/zinc/04/03/45/878040345.db2.gz JUNXIBCPKBWPQN-OAHLLOKOSA-N 0 0 424.453 4.330 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2ccccc12)Nc1ccnn1Cc1cccs1 ZINC000464800736 878043560 /nfs/dbraw/zinc/04/35/60/878043560.db2.gz BOULHYIKYYVXDA-UHFFFAOYSA-N 0 0 408.439 4.072 20 5 HIBDRN CCNc1ccc(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1[N+](=O)[O-] ZINC000503329429 912308341 /nfs/dbraw/zinc/30/83/41/912308341.db2.gz OLBXETWXYYTJBS-UHFFFAOYSA-N 0 0 410.405 4.283 20 5 HIBDRN C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](c2ccccc2)CO1 ZINC000464947812 878285046 /nfs/dbraw/zinc/28/50/46/878285046.db2.gz KPUFUZWWOREJIX-AUUYWEPGSA-N 0 0 409.467 4.321 20 5 HIBDRN COc1cc(C(=O)NC[C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000464963536 878304787 /nfs/dbraw/zinc/30/47/87/878304787.db2.gz VKQONODITSURHO-VIFPVBQESA-N 0 0 416.327 4.017 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000465023038 878386744 /nfs/dbraw/zinc/38/67/44/878386744.db2.gz JBNBYGNFOJEKAX-HXUWFJFHSA-N 0 0 418.449 4.009 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccccc2)cc1 ZINC000465028148 878391325 /nfs/dbraw/zinc/39/13/25/878391325.db2.gz HJEMHJSRSQASLI-DEOSSOPVSA-N 0 0 418.449 4.123 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1cccc(Oc2ccccc2)c1 ZINC000465033498 878397357 /nfs/dbraw/zinc/39/73/57/878397357.db2.gz IREVRJRBMRJZBX-UHFFFAOYSA-N 0 0 420.421 4.017 20 5 HIBDRN CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1OC(F)F ZINC000465044513 878406461 /nfs/dbraw/zinc/40/64/61/878406461.db2.gz WQVGUUBOQOYGRN-UHFFFAOYSA-N 0 0 400.765 4.178 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC000465047649 878410423 /nfs/dbraw/zinc/41/04/23/878410423.db2.gz MAJIUBZOISWNJY-AWEZNQCLSA-N 0 0 416.524 4.173 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc2nc(C3CC3)sc2c1 ZINC000465168698 878551840 /nfs/dbraw/zinc/55/18/40/878551840.db2.gz SHDLPSVBIQKHIM-UHFFFAOYSA-N 0 0 411.439 4.034 20 5 HIBDRN C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(-n2cccn2)c1 ZINC000465204273 878611193 /nfs/dbraw/zinc/61/11/93/878611193.db2.gz HSEATAIYPMDSEL-AWEZNQCLSA-N 0 0 419.466 4.395 20 5 HIBDRN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(-n2cccn2)c1 ZINC000465217320 878632543 /nfs/dbraw/zinc/63/25/43/878632543.db2.gz QYRLMILEGKALSY-GOSISDBHSA-N 0 0 422.488 4.218 20 5 HIBDRN CC(C)C[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000465307801 878752657 /nfs/dbraw/zinc/75/26/57/878752657.db2.gz SRFGTSMEURPJSI-QGZVFWFLSA-N 0 0 423.513 4.400 20 5 HIBDRN CSc1ccc(C(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000465318072 878761437 /nfs/dbraw/zinc/76/14/37/878761437.db2.gz NBUCRUZBEZVEAI-UHFFFAOYSA-N 0 0 405.423 4.457 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1C ZINC000465351462 878783630 /nfs/dbraw/zinc/78/36/30/878783630.db2.gz SVQOPLKCBXXAAV-UHFFFAOYSA-N 0 0 404.488 4.431 20 5 HIBDRN O=C(N[C@H](c1cccs1)C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465495121 878935147 /nfs/dbraw/zinc/93/51/47/878935147.db2.gz QJGRMNGBYSQZAH-IBGZPJMESA-N 0 0 401.488 4.360 20 5 HIBDRN O=C(NC[C@@H]1CCCc2ccccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465635393 879149106 /nfs/dbraw/zinc/14/91/06/879149106.db2.gz SMRWBGSQLGBSBN-SFHVURJKSA-N 0 0 409.486 4.268 20 5 HIBDRN O=C(Nc1ccccc1OCc1cscn1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000503436429 912443123 /nfs/dbraw/zinc/44/31/23/912443123.db2.gz PMCNXXIMQGLGIU-UHFFFAOYSA-N 0 0 421.438 4.068 20 5 HIBDRN CC(C)(C)c1csc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000465856705 879503018 /nfs/dbraw/zinc/50/30/18/879503018.db2.gz DHUVIYPJIVBWLW-UHFFFAOYSA-N 0 0 418.519 4.102 20 5 HIBDRN O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465887409 879542162 /nfs/dbraw/zinc/54/21/62/879542162.db2.gz LAWBKCYCWNCJCA-FGZHOGPDSA-N 0 0 409.486 4.484 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000465900236 879560794 /nfs/dbraw/zinc/56/07/94/879560794.db2.gz ASJLUBBDVDSUJG-QFIPXVFZSA-N 0 0 405.454 4.235 20 5 HIBDRN CN(C)c1cccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000503455262 912479024 /nfs/dbraw/zinc/47/90/24/912479024.db2.gz TYIQGHSNVDPUPH-UHFFFAOYSA-N 0 0 407.430 4.170 20 5 HIBDRN O=C(NCCc1cc2ccccc2o1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465986597 879659958 /nfs/dbraw/zinc/65/99/58/879659958.db2.gz IHHBLZPEHQMALI-UHFFFAOYSA-N 0 0 409.442 4.137 20 5 HIBDRN Cc1cnc([C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C2CC2)s1 ZINC000466114200 879828140 /nfs/dbraw/zinc/82/81/40/879828140.db2.gz FIDNWITTYFDXPS-GOSISDBHSA-N 0 0 416.503 4.064 20 5 HIBDRN CCOc1cc(NC(=O)NC[C@H](C)Oc2cccc(F)c2)c([N+](=O)[O-])cc1OCC ZINC000466142918 879852575 /nfs/dbraw/zinc/85/25/75/879852575.db2.gz IDXPPNLIPLETFG-ZDUSSCGKSA-N 0 0 421.425 4.120 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000466151261 879857349 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20 5 HIBDRN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503472025 912506980 /nfs/dbraw/zinc/50/69/80/912506980.db2.gz BTCLLABBSHHZMO-LBPRGKRZSA-N 0 0 417.314 4.467 20 5 HIBDRN O=C(NCCCc1nc2c(s1)CCCC2)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466212133 879901294 /nfs/dbraw/zinc/90/12/94/879901294.db2.gz ULRYFKIWOPCFDK-UHFFFAOYSA-N 0 0 408.911 4.016 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000466230170 879931670 /nfs/dbraw/zinc/93/16/70/879931670.db2.gz YGXLFBQMDMWKSJ-RBUKOAKNSA-N 0 0 403.866 4.276 20 5 HIBDRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000466247617 879962890 /nfs/dbraw/zinc/96/28/90/879962890.db2.gz CBWUVANIRFTMJX-UHFFFAOYSA-N 0 0 423.803 4.017 20 5 HIBDRN COc1ccc(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000466251085 879971659 /nfs/dbraw/zinc/97/16/59/879971659.db2.gz OCHZIGIHNYBFCY-OAHLLOKOSA-N 0 0 423.494 4.262 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)cc([N+](=O)[O-])c1 ZINC000466273229 880010922 /nfs/dbraw/zinc/01/09/22/880010922.db2.gz QPAXZZIBOFCRHJ-UHFFFAOYSA-N 0 0 411.801 4.349 20 5 HIBDRN O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466273722 880011211 /nfs/dbraw/zinc/01/12/11/880011211.db2.gz RZTDFSRGYMMHJY-UHFFFAOYSA-N 0 0 419.865 4.294 20 5 HIBDRN Cc1nn(C)c(Sc2ccccc2)c1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466289983 880035536 /nfs/dbraw/zinc/03/55/36/880035536.db2.gz XHYHPBNAVZMAAT-UHFFFAOYSA-N 0 0 416.890 4.371 20 5 HIBDRN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466293072 880037850 /nfs/dbraw/zinc/03/78/50/880037850.db2.gz JPXIITLTSFGYKZ-UHFFFAOYSA-N 0 0 420.462 4.234 20 5 HIBDRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466303212 880052553 /nfs/dbraw/zinc/05/25/53/880052553.db2.gz QDHDEUGEQUFNPK-UHFFFAOYSA-N 0 0 421.787 4.430 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)c(C)c([N+](=O)[O-])c1 ZINC000466349403 880106714 /nfs/dbraw/zinc/10/67/14/880106714.db2.gz GPONUOMTFHWUSP-SNVBAGLBSA-N 0 0 410.348 4.451 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000512371353 921112394 /nfs/dbraw/zinc/11/23/94/921112394.db2.gz HBOZZPUWQIBVNC-SFHVURJKSA-N 0 0 414.330 4.393 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(F)c(Br)cc1Cl ZINC000466464558 880246065 /nfs/dbraw/zinc/24/60/65/880246065.db2.gz LKHPPJZPFODRAP-UHFFFAOYSA-N 0 0 403.591 4.167 20 5 HIBDRN COc1cc(OC)c(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000466475137 880256953 /nfs/dbraw/zinc/25/69/53/880256953.db2.gz RYFXYIHOWWTEOB-UHFFFAOYSA-N 0 0 400.218 4.241 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Oc2ccccc2OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000466496702 880272636 /nfs/dbraw/zinc/27/26/36/880272636.db2.gz UUJPTCWYCHFPKI-UHFFFAOYSA-N 0 0 407.304 4.250 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000466498593 880274211 /nfs/dbraw/zinc/27/42/11/880274211.db2.gz DDUZEOCCHDBIHS-UHFFFAOYSA-N 0 0 414.393 4.144 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000466504329 880279159 /nfs/dbraw/zinc/27/91/59/880279159.db2.gz ARWFSPPHVXEBMT-UHFFFAOYSA-N 0 0 411.458 4.052 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccccc2Br)CC1 ZINC000466507938 880283193 /nfs/dbraw/zinc/28/31/93/880283193.db2.gz MIHQWEIAWFOHBF-UHFFFAOYSA-N 0 0 405.248 4.426 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000466511838 880286002 /nfs/dbraw/zinc/28/60/02/880286002.db2.gz AVKYYMHNCHZAAA-UHFFFAOYSA-N 0 0 422.228 4.133 20 5 HIBDRN CC(C)(NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000503502465 912551579 /nfs/dbraw/zinc/55/15/79/912551579.db2.gz FXQAPIFJQPBZII-UHFFFAOYSA-N 0 0 416.421 4.011 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(OCc2ccccn2)cc1 ZINC000466520273 880296849 /nfs/dbraw/zinc/29/68/49/880296849.db2.gz CHWORFDZFHUDKV-UHFFFAOYSA-N 0 0 407.426 4.149 20 5 HIBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N(Cc2cccc(F)c2)C2CCCC2)cc1 ZINC000503505952 912553061 /nfs/dbraw/zinc/55/30/61/912553061.db2.gz OCURRCXKECQXOX-UHFFFAOYSA-N 0 0 406.479 4.051 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)cc1[N+](=O)[O-] ZINC000466537369 880312468 /nfs/dbraw/zinc/31/24/68/880312468.db2.gz XZAHCCKZOLWCFC-UHFFFAOYSA-N 0 0 416.865 4.328 20 5 HIBDRN O=C(N[C@H]1CC[C@H](O)CC1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466538879 880314352 /nfs/dbraw/zinc/31/43/52/880314352.db2.gz JMNHVMRLFXZTFI-SHTZXODSSA-N 0 0 406.891 4.433 20 5 HIBDRN CCNc1ccc(C(=O)N2CCC(F)(c3cccc(OC)c3)CC2)cc1[N+](=O)[O-] ZINC000466546117 880320216 /nfs/dbraw/zinc/32/02/16/880320216.db2.gz VMPQCKQAWVQLSO-UHFFFAOYSA-N 0 0 401.438 4.136 20 5 HIBDRN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503511115 912556442 /nfs/dbraw/zinc/55/64/42/912556442.db2.gz XVILHHXAJBAEDK-ZDUSSCGKSA-N 0 0 416.421 4.179 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000466584237 880358310 /nfs/dbraw/zinc/35/83/10/880358310.db2.gz BNNGOEFAPWONPK-VQIMIIECSA-N 0 0 403.866 4.215 20 5 HIBDRN Cn1cc(C(=O)NCC2(Cc3ccccc3)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000466643070 880417458 /nfs/dbraw/zinc/41/74/58/880417458.db2.gz PGNHQLDGLXSGMQ-UHFFFAOYSA-N 0 0 404.470 4.138 20 5 HIBDRN COC(=O)c1cccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1OC(C)C ZINC000466674832 880462605 /nfs/dbraw/zinc/46/26/05/880462605.db2.gz BBFLILQJNJMULQ-UHFFFAOYSA-N 0 0 404.444 4.143 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000466786069 880565008 /nfs/dbraw/zinc/56/50/08/880565008.db2.gz JKWNVCDWEPTCPQ-UHFFFAOYSA-N 0 0 400.822 4.068 20 5 HIBDRN C[C@H](Cn1ccnc1)NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466798460 880576987 /nfs/dbraw/zinc/57/69/87/880576987.db2.gz ZRLXEEHIPJCARI-CYBMUJFWSA-N 0 0 416.890 4.414 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000466809413 880585353 /nfs/dbraw/zinc/58/53/53/880585353.db2.gz OGHBAMWOFWYWEC-UHFFFAOYSA-N 0 0 402.863 4.473 20 5 HIBDRN COc1cc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])ncn1 ZINC000466877902 880645551 /nfs/dbraw/zinc/64/55/51/880645551.db2.gz OQNBPQILLMKORF-UHFFFAOYSA-N 0 0 416.846 4.450 20 5 HIBDRN COc1ccc(N(C)C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000466899973 880666418 /nfs/dbraw/zinc/66/64/18/880666418.db2.gz NUDLFGMUXPZKJM-UHFFFAOYSA-N 0 0 410.879 4.162 20 5 HIBDRN C[C@H](Nc1cccc2c1OCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000466991621 880803603 /nfs/dbraw/zinc/80/36/03/880803603.db2.gz JHCABYBGFPQBMA-NSHDSACASA-N 0 0 409.364 4.378 20 5 HIBDRN O=C(C[C@H]1CCCCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000467076093 880851970 /nfs/dbraw/zinc/85/19/70/880851970.db2.gz SCFDCQZUGTWNRE-MRXNPFEDSA-N 0 0 422.528 4.004 20 5 HIBDRN CCc1ccc(Cl)c(CC)c1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000467107045 880866554 /nfs/dbraw/zinc/86/65/54/880866554.db2.gz NYHJRKKDSGJTAT-UHFFFAOYSA-N 0 0 404.850 4.325 20 5 HIBDRN COc1ccc(C2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000467166271 880895899 /nfs/dbraw/zinc/89/58/99/880895899.db2.gz RIYAPJWOEFQYGN-UHFFFAOYSA-N 0 0 403.866 4.075 20 5 HIBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000467197551 880926867 /nfs/dbraw/zinc/92/68/67/880926867.db2.gz VIODHSJVGQJPLL-UHFFFAOYSA-N 0 0 412.446 4.272 20 5 HIBDRN COc1cccc(C2=CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000467220432 880949969 /nfs/dbraw/zinc/94/99/69/880949969.db2.gz WZYGCWSGBSVGJW-UHFFFAOYSA-N 0 0 401.850 4.256 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1nccs1)c1ccccc1 ZINC000467220435 880950004 /nfs/dbraw/zinc/95/00/04/880950004.db2.gz XBDUKTQRKZODRU-INIZCTEOSA-N 0 0 402.863 4.294 20 5 HIBDRN CN(Cc1ccc(Br)s1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467220608 880950336 /nfs/dbraw/zinc/95/03/36/880950336.db2.gz WRZBKWSYJTULNJ-UHFFFAOYSA-N 0 0 418.700 4.414 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000467227066 880956132 /nfs/dbraw/zinc/95/61/32/880956132.db2.gz DFOOVJBBJDPADL-SJORKVTESA-N 0 0 410.257 4.231 20 5 HIBDRN O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccc(N5CCCCC5)cc4)no3)cn2)cc1 ZINC000467252719 880982495 /nfs/dbraw/zinc/98/24/95/880982495.db2.gz DEFOYDNQYIOTSS-UHFFFAOYSA-N 0 0 416.441 4.488 20 5 HIBDRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467330810 881079527 /nfs/dbraw/zinc/07/95/27/881079527.db2.gz QMOOXQCCAANNRW-UHFFFAOYSA-N 0 0 419.865 4.454 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(OCC2CCOCC2)cc1 ZINC000467363564 881130668 /nfs/dbraw/zinc/13/06/68/881130668.db2.gz CKCUJVBFXKUTDS-UHFFFAOYSA-N 0 0 419.865 4.375 20 5 HIBDRN Cc1sc(S(=O)(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000467403627 881189039 /nfs/dbraw/zinc/18/90/39/881189039.db2.gz IKXAPDXSWTUZLW-VIFPVBQESA-N 0 0 408.423 4.365 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(OC[C@H]2CCCO2)c1 ZINC000467467640 881283516 /nfs/dbraw/zinc/28/35/16/881283516.db2.gz ZCEXQIAEBQCFSU-GOSISDBHSA-N 0 0 413.474 4.400 20 5 HIBDRN O=C(NCCc1nc2cc(F)ccc2[nH]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000467478842 881298544 /nfs/dbraw/zinc/29/85/44/881298544.db2.gz WLVHNFSEVSFLFW-UHFFFAOYSA-N 0 0 419.416 4.326 20 5 HIBDRN Cn1cc(Nc2cccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])c2)cn1 ZINC000469098116 883187469 /nfs/dbraw/zinc/18/74/69/883187469.db2.gz VNZXXJJIYNWIRY-UHFFFAOYSA-N 0 0 416.235 4.087 20 5 HIBDRN CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)c12 ZINC000469137861 883233964 /nfs/dbraw/zinc/23/39/64/883233964.db2.gz BIQKYDRQODFJEI-UHFFFAOYSA-N 0 0 417.425 4.761 20 5 HIBDRN C[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000469154900 883251762 /nfs/dbraw/zinc/25/17/62/883251762.db2.gz NAOLWVXCNQYMMW-PXAZEXFGSA-N 0 0 416.279 4.190 20 5 HIBDRN Cc1ccnc(-c2n[nH]c([C@@H](C)Nc3ccc([N+](=O)[O-])cc3Br)n2)c1 ZINC000503598171 912688104 /nfs/dbraw/zinc/68/81/04/912688104.db2.gz QHIPZDMJBDVXRC-SNVBAGLBSA-N 0 0 403.240 4.019 20 5 HIBDRN COc1cc(S(=O)(=O)N([C@H](C)c2ccccc2Cl)C2CC2)ccc1[N+](=O)[O-] ZINC000469216263 883315536 /nfs/dbraw/zinc/31/55/36/883315536.db2.gz MJZSESBMYANJQW-GFCCVEGCSA-N 0 0 410.879 4.171 20 5 HIBDRN COc1cc(S(=O)(=O)N([C@@H](C)c2ccccc2Cl)C2CC2)ccc1[N+](=O)[O-] ZINC000469216316 883316422 /nfs/dbraw/zinc/31/64/22/883316422.db2.gz MJZSESBMYANJQW-LBPRGKRZSA-N 0 0 410.879 4.171 20 5 HIBDRN C[C@@H](C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000469218713 883318145 /nfs/dbraw/zinc/31/81/45/883318145.db2.gz VRIJBTDRPONQGC-CYBMUJFWSA-N 0 0 402.397 4.098 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000469298762 883396371 /nfs/dbraw/zinc/39/63/71/883396371.db2.gz DXXJHBLZXKIMED-IBGZPJMESA-N 0 0 401.850 4.036 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000469384759 883528563 /nfs/dbraw/zinc/52/85/63/883528563.db2.gz WGYIIVPVAOJAQA-IERDGZPVSA-N 0 0 405.458 4.258 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469445966 883640808 /nfs/dbraw/zinc/64/08/08/883640808.db2.gz JBGABLKHTWIKQN-UHFFFAOYSA-N 0 0 401.413 4.299 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H](C)c2ccccc2Br)cc([N+](=O)[O-])c1OC ZINC000503633506 912734975 /nfs/dbraw/zinc/73/49/75/912734975.db2.gz MPIAOPBYSXZGRF-NSHDSACASA-N 0 0 423.263 4.208 20 5 HIBDRN CCOc1cc(C(=O)NC[C@H](Cc2ccccc2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000469523744 883792834 /nfs/dbraw/zinc/79/28/34/883792834.db2.gz NUGOUSFAIQKZQP-KRWDZBQOSA-N 0 0 400.475 4.247 20 5 HIBDRN O=C(NCc1cccc2cc[nH]c21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000469524397 883793348 /nfs/dbraw/zinc/79/33/48/883793348.db2.gz YXDTVJHAPRAHBD-UHFFFAOYSA-N 0 0 403.388 4.371 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCSc3ccncc32)cc1[N+](=O)[O-])c1ccccn1 ZINC000469523044 883793832 /nfs/dbraw/zinc/79/38/32/883793832.db2.gz CIXAFLIDNIIUAX-CQSZACIVSA-N 0 0 421.482 4.310 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc(-c2cccc(C)c2)cc1 ZINC000469545224 883807888 /nfs/dbraw/zinc/80/78/88/883807888.db2.gz QYBKQSBPYGOCAB-FQEVSTJZSA-N 0 0 421.501 4.119 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc2c1OCCCO2 ZINC000503650498 912758457 /nfs/dbraw/zinc/75/84/57/912758457.db2.gz QDCOVASAVWXSRB-UHFFFAOYSA-N 0 0 402.472 4.188 20 5 HIBDRN O=C(c1cc(Br)c(F)cc1F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000469675738 883864394 /nfs/dbraw/zinc/86/43/94/883864394.db2.gz UAJCHYWZFAGFIT-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN CN(CCOc1ccc(C(F)(F)F)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000469755931 883920469 /nfs/dbraw/zinc/92/04/69/883920469.db2.gz JIZPFRZMMHEMMZ-UHFFFAOYSA-N 0 0 422.363 4.174 20 5 HIBDRN Cc1csc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1I ZINC000469819645 883999967 /nfs/dbraw/zinc/99/99/67/883999967.db2.gz NTDQIPUTYUGKAE-VIFPVBQESA-N 0 0 416.240 4.060 20 5 HIBDRN CCOc1ccc(C(=O)N(C)Cc2cc(OC)ccc2Br)cc1[N+](=O)[O-] ZINC000469870464 884059028 /nfs/dbraw/zinc/05/90/28/884059028.db2.gz IWGBLCOLPMCTOF-UHFFFAOYSA-N 0 0 423.263 4.037 20 5 HIBDRN CCNc1ccc(C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1[N+](=O)[O-] ZINC000469890384 884081156 /nfs/dbraw/zinc/08/11/56/884081156.db2.gz BYFQTCCCJUXFRI-UHFFFAOYSA-N 0 0 401.423 4.245 20 5 HIBDRN Cc1c(CC(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)cccc1[N+](=O)[O-] ZINC000470029277 884257909 /nfs/dbraw/zinc/25/79/09/884257909.db2.gz FENKIXXBIVXZGL-UHFFFAOYSA-N 0 0 421.478 4.261 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cc1[N+](=O)[O-] ZINC000470079118 884336708 /nfs/dbraw/zinc/33/67/08/884336708.db2.gz NUUSOLIBOKRQIE-GFCCVEGCSA-N 0 0 409.202 4.469 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(F)ccc1OC(F)F ZINC000470104061 884361700 /nfs/dbraw/zinc/36/17/00/884361700.db2.gz HKCUTAIKYOSBNN-UHFFFAOYSA-N 0 0 404.728 4.396 20 5 HIBDRN COc1cccc(Oc2ccc(CNC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cn2)c1 ZINC000470115672 884375887 /nfs/dbraw/zinc/37/58/87/884375887.db2.gz PHWNRGBSGDJWJM-UHFFFAOYSA-N 0 0 412.377 4.252 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470114775 884375909 /nfs/dbraw/zinc/37/59/09/884375909.db2.gz LXVASEXQFPAIQJ-UHFFFAOYSA-N 0 0 415.208 4.143 20 5 HIBDRN Cc1cc(-c2noc([C@@H](C)NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)n2)ccc1F ZINC000470128756 884391590 /nfs/dbraw/zinc/39/15/90/884391590.db2.gz PAMGERKLFVKNOE-SNVBAGLBSA-N 0 0 403.345 4.114 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000470134533 884398329 /nfs/dbraw/zinc/39/83/29/884398329.db2.gz SEWHLSRUMISKTI-CQSZACIVSA-N 0 0 416.457 4.311 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000470159588 884433981 /nfs/dbraw/zinc/43/39/81/884433981.db2.gz HPSOFLLHRQFKKP-UHFFFAOYSA-N 0 0 417.469 4.175 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000470172856 884455088 /nfs/dbraw/zinc/45/50/88/884455088.db2.gz DNTPKINRNRFIQJ-ZHJQRIIBSA-N 0 0 406.891 4.112 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)cnn1Cc1ccccc1F ZINC000470191189 884490955 /nfs/dbraw/zinc/49/09/55/884490955.db2.gz UELSDIYOQKOZJP-QGZVFWFLSA-N 0 0 410.449 4.495 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000470192988 884496674 /nfs/dbraw/zinc/49/66/74/884496674.db2.gz CAWQUNXETUKCPN-BWACUDIHSA-N 0 0 409.895 4.099 20 5 HIBDRN C[C@H](N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(C)(C)C ZINC000470197233 884505172 /nfs/dbraw/zinc/50/51/72/884505172.db2.gz ZAEQDNHELQIFFE-HNNXBMFYSA-N 0 0 418.515 4.075 20 5 HIBDRN CCOc1ccccc1[C@H](CC(C)C)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000470248071 884580955 /nfs/dbraw/zinc/58/09/55/884580955.db2.gz POMSLVLNSJGWEB-SFHVURJKSA-N 0 0 402.495 4.101 20 5 HIBDRN O=C(Nc1cccc(OCCF)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000470282865 884649755 /nfs/dbraw/zinc/64/97/55/884649755.db2.gz LPAGYCVHRVHKQL-UHFFFAOYSA-N 0 0 403.410 4.018 20 5 HIBDRN C[C@H](C(=O)N1CCn2c(cc3c2cccc3Cl)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470337721 884724432 /nfs/dbraw/zinc/72/44/32/884724432.db2.gz PCBKTNFKJSIJRH-LBPRGKRZSA-N 0 0 401.825 4.488 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000470371639 884767377 /nfs/dbraw/zinc/76/73/77/884767377.db2.gz FYZCYKCAYMNBKE-CYBMUJFWSA-N 0 0 417.849 4.255 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)cc1[N+](=O)[O-] ZINC000470376019 884773328 /nfs/dbraw/zinc/77/33/28/884773328.db2.gz QDSHMHJPASHMSS-LBPRGKRZSA-N 0 0 408.838 4.313 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000470376650 884774994 /nfs/dbraw/zinc/77/49/94/884774994.db2.gz VAAVGQJDXMUFTL-ZDUSSCGKSA-N 0 0 407.854 4.103 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1C(=O)N(C)C(C)C ZINC000470457626 884852496 /nfs/dbraw/zinc/85/24/96/884852496.db2.gz HCOWUILUCCMANP-CQSZACIVSA-N 0 0 401.438 4.265 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1C(=O)N1CCCCC1 ZINC000470502998 884892178 /nfs/dbraw/zinc/89/21/78/884892178.db2.gz NJFJTTMQOMHLNR-HNNXBMFYSA-N 0 0 413.449 4.411 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CN[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000470527558 884922847 /nfs/dbraw/zinc/92/28/47/884922847.db2.gz HUJHZOWLORCULB-KRWDZBQOSA-N 0 0 419.254 4.109 20 5 HIBDRN C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000470563273 884979886 /nfs/dbraw/zinc/97/98/86/884979886.db2.gz GWZXDVROQBLAGH-LURJTMIESA-N 0 0 411.308 4.163 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)cc1SC ZINC000470580828 884996174 /nfs/dbraw/zinc/99/61/74/884996174.db2.gz HLEBLIPJNXXCSY-ZETCQYMHSA-N 0 0 421.422 4.292 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCOCc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000470631911 885056902 /nfs/dbraw/zinc/05/69/02/885056902.db2.gz JVYVSLCNVTZLFD-IAGOWNOFSA-N 0 0 409.486 4.254 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000470634959 885060751 /nfs/dbraw/zinc/06/07/51/885060751.db2.gz RYJZJTHWJBMKLD-GOSISDBHSA-N 0 0 413.865 4.214 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOCc2ccccc21 ZINC000470638097 885064440 /nfs/dbraw/zinc/06/44/40/885064440.db2.gz PMLSWDUIRGVGKD-UHFFFAOYSA-N 0 0 412.389 4.269 20 5 HIBDRN CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000470660577 885084539 /nfs/dbraw/zinc/08/45/39/885084539.db2.gz IVRIIGQMPKVJMY-CQSZACIVSA-N 0 0 402.472 4.158 20 5 HIBDRN COc1ccc(Br)c(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000503986153 912897651 /nfs/dbraw/zinc/89/76/51/912897651.db2.gz KYLQUAWBDAPVQV-UHFFFAOYSA-N 0 0 405.208 4.028 20 5 HIBDRN O=C(NCC1CCN(c2ccccc2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000470678549 885110422 /nfs/dbraw/zinc/11/04/22/885110422.db2.gz PLENMARJNZRRFG-UHFFFAOYSA-N 0 0 418.291 4.004 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000470685737 885119300 /nfs/dbraw/zinc/11/93/00/885119300.db2.gz YLNMYONRICBQKK-HNNXBMFYSA-N 0 0 424.375 4.157 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000470686945 885119314 /nfs/dbraw/zinc/11/93/14/885119314.db2.gz ZBWQSSJEFOOBNT-LHSJRXKWSA-N 0 0 412.442 4.035 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000470686948 885122007 /nfs/dbraw/zinc/12/20/07/885122007.db2.gz ZBWQSSJEFOOBNT-SZNDQCEHSA-N 0 0 412.442 4.035 20 5 HIBDRN O=C(NCC1CCN(c2ccccc2)CC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000470695006 885133378 /nfs/dbraw/zinc/13/33/78/885133378.db2.gz UDEXRMZTWPAQHG-UHFFFAOYSA-N 0 0 407.392 4.260 20 5 HIBDRN C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](c2ccsc2)O1 ZINC000470696459 885134514 /nfs/dbraw/zinc/13/45/14/885134514.db2.gz XJIXCHMOIDJXPP-SJCJKPOMSA-N 0 0 415.496 4.382 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000470708096 885146730 /nfs/dbraw/zinc/14/67/30/885146730.db2.gz SDZOUSVICNTWEQ-YSSFQJQWSA-N 0 0 411.433 4.146 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cc2nccnc2cc1F ZINC000470730103 885182247 /nfs/dbraw/zinc/18/22/47/885182247.db2.gz OROPJGMNLRIOCN-UHFFFAOYSA-N 0 0 416.368 4.160 20 5 HIBDRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000470732148 885185152 /nfs/dbraw/zinc/18/51/52/885185152.db2.gz HJZNSVBZHWKAHB-UHFFFAOYSA-N 0 0 407.348 4.246 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000470735382 885189698 /nfs/dbraw/zinc/18/96/98/885189698.db2.gz FMLIHHSTTFOKFA-MEBBXXQBSA-N 0 0 411.277 4.021 20 5 HIBDRN C[C@H](Cc1ccccc1Br)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000470739765 885201389 /nfs/dbraw/zinc/20/13/89/885201389.db2.gz FBWCVNWRPLBSTN-CYBMUJFWSA-N 0 0 405.292 4.382 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000470758110 885223797 /nfs/dbraw/zinc/22/37/97/885223797.db2.gz XWQBBYVCQBSAEO-PEBVRCNWSA-N 0 0 410.879 4.066 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(Cc2cccs2)CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000470784307 885258534 /nfs/dbraw/zinc/25/85/34/885258534.db2.gz OTGLZPOUSBRDQT-UHFFFAOYSA-N 0 0 416.377 4.038 20 5 HIBDRN COc1cc(C(=O)N2CCC(C)(O)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470800606 885286927 /nfs/dbraw/zinc/28/69/27/885286927.db2.gz DGDZUKPTEDBZOO-UHFFFAOYSA-N 0 0 420.849 4.036 20 5 HIBDRN Cc1sc(NC(=O)c2cc3nccnc3cc2F)nc1-c1cccc([N+](=O)[O-])c1 ZINC000470826220 885314706 /nfs/dbraw/zinc/31/47/06/885314706.db2.gz HYRFWDQAEYDSJV-UHFFFAOYSA-N 0 0 409.402 4.361 20 5 HIBDRN O=[N+]([O-])c1cnn(CCSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000470853142 885349274 /nfs/dbraw/zinc/34/92/74/885349274.db2.gz YCMIWHJHADQPNF-UHFFFAOYSA-N 0 0 404.455 4.103 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000470875694 885363105 /nfs/dbraw/zinc/36/31/05/885363105.db2.gz ISRPTQDGLVVGFM-UHFFFAOYSA-N 0 0 405.410 4.243 20 5 HIBDRN Cc1cc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)ccc1Br ZINC000470879830 885369817 /nfs/dbraw/zinc/36/98/17/885369817.db2.gz LHXMPKNCCZPSDW-LCYFTJDESA-N 0 0 412.243 4.320 20 5 HIBDRN CCOCCOc1ccc(Cl)cc1NC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000470893858 885390944 /nfs/dbraw/zinc/39/09/44/885390944.db2.gz YOSFLLLNNJOKPZ-UHFFFAOYSA-N 0 0 408.838 4.315 20 5 HIBDRN C[C@H](C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000470916637 885424323 /nfs/dbraw/zinc/42/43/23/885424323.db2.gz KFJAGHBPUOLWGW-AWEZNQCLSA-N 0 0 403.398 4.178 20 5 HIBDRN C[C@]1(O)CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000471074073 885593720 /nfs/dbraw/zinc/59/37/20/885593720.db2.gz ZVNFMCFNHBDCTJ-FPOVZHCZSA-N 0 0 417.893 4.165 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(F)c(F)cc2I)cc1[N+](=O)[O-] ZINC000471080490 885607611 /nfs/dbraw/zinc/60/76/11/885607611.db2.gz IHCUPRKLJNSFBM-UHFFFAOYSA-N 0 0 418.137 4.038 20 5 HIBDRN O=C(NCc1nc2cccnc2[nH]1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000471110183 885644582 /nfs/dbraw/zinc/64/45/82/885644582.db2.gz MTYFZMVGRVPHOI-UHFFFAOYSA-N 0 0 423.816 4.242 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000471129240 885666771 /nfs/dbraw/zinc/66/67/71/885666771.db2.gz MUEZCASSPLUDCB-APWZRJJASA-N 0 0 402.422 4.125 20 5 HIBDRN Cc1cc(NC(=O)c2cc(C)sc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000471148944 885695547 /nfs/dbraw/zinc/69/55/47/885695547.db2.gz QPWBRRPMKIYSJJ-UHFFFAOYSA-N 0 0 421.276 4.474 20 5 HIBDRN CCOc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000471173390 885732562 /nfs/dbraw/zinc/73/25/62/885732562.db2.gz OVLVGGWTTLUQGT-GHMZBOCLSA-N 0 0 405.373 4.197 20 5 HIBDRN COCCC[C@H](Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000471331791 885931436 /nfs/dbraw/zinc/93/14/36/885931436.db2.gz OFEMRZDDKKYHPF-OAHLLOKOSA-N 0 0 410.392 4.381 20 5 HIBDRN Cc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000471370869 886009516 /nfs/dbraw/zinc/00/95/16/886009516.db2.gz YLHPOPWASQTTFM-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CCc1ccc(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000471409947 886062532 /nfs/dbraw/zinc/06/25/32/886062532.db2.gz UINMCPRGZPKVIC-HNNXBMFYSA-N 0 0 415.877 4.033 20 5 HIBDRN COc1cccc([C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2OC)c1 ZINC000471447313 886117052 /nfs/dbraw/zinc/11/70/52/886117052.db2.gz RBXZTCNONWSUNC-HSZRJFAPSA-N 0 0 424.428 4.199 20 5 HIBDRN CCc1n[nH]c(C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1[N+](=O)[O-] ZINC000471464690 886148075 /nfs/dbraw/zinc/14/80/75/886148075.db2.gz KSZGTRNITYAFHC-UHFFFAOYSA-N 0 0 416.787 4.014 20 5 HIBDRN C/C=C/c1ccc(OC[C@H](O)COc2ccc([N+](=O)[O-])c3ncccc23)c(OC)c1 ZINC000471469960 886160927 /nfs/dbraw/zinc/16/09/27/886160927.db2.gz FQUIAJLLFXNSOJ-LLCTXKFZSA-N 0 0 410.426 4.003 20 5 HIBDRN CCOc1cc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000471504637 886206636 /nfs/dbraw/zinc/20/66/36/886206636.db2.gz USAKIAHLJUHVJP-ZBFHGGJFSA-N 0 0 402.422 4.207 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000471515247 886217515 /nfs/dbraw/zinc/21/75/15/886217515.db2.gz ITWSJBDPPWPJDZ-CJNGLKHVSA-N 0 0 421.266 4.491 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000471515578 886218176 /nfs/dbraw/zinc/21/81/76/886218176.db2.gz SAHBEGFJHWAADH-UHFFFAOYSA-N 0 0 414.805 4.437 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)Cc3cc4ccccc4o3)cc2)c(C)c1[N+](=O)[O-] ZINC000471538287 886242467 /nfs/dbraw/zinc/24/24/67/886242467.db2.gz OHANUMXDEFGWCF-UHFFFAOYSA-N 0 0 418.453 4.475 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccc(-c4ncn(C)n4)cc3)o2)c([N+](=O)[O-])c1 ZINC000471553373 886261457 /nfs/dbraw/zinc/26/14/57/886261457.db2.gz ZJLUAIQSTAVDNG-UHFFFAOYSA-N 0 0 405.414 4.271 20 5 HIBDRN O=C(NCC1(CCOCc2ccccc2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000471560217 886269997 /nfs/dbraw/zinc/26/99/97/886269997.db2.gz UUGRQEXURPVKNU-UHFFFAOYSA-N 0 0 405.454 4.260 20 5 HIBDRN COC(=O)c1sc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])nc1C(C)(C)C ZINC000471578104 886289809 /nfs/dbraw/zinc/28/98/09/886289809.db2.gz OWPIDBBKADZFKV-UHFFFAOYSA-N 0 0 409.489 4.110 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)cc1C ZINC000471669176 886380332 /nfs/dbraw/zinc/38/03/32/886380332.db2.gz OQDCHZDKHSBETH-GFCCVEGCSA-N 0 0 406.822 4.058 20 5 HIBDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000471692235 886401398 /nfs/dbraw/zinc/40/13/98/886401398.db2.gz JWMNVFXXJDERBS-OVWKYPIYSA-N 0 0 422.254 4.413 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)c1 ZINC000471696064 886404068 /nfs/dbraw/zinc/40/40/68/886404068.db2.gz ZJQMSDBVDAIGSE-MOPGFXCFSA-N 0 0 400.500 4.430 20 5 HIBDRN CCSc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 ZINC000504144832 913042076 /nfs/dbraw/zinc/04/20/76/913042076.db2.gz OTPMMVYRJIGRMD-UHFFFAOYSA-N 0 0 415.500 4.239 20 5 HIBDRN Cc1cc(F)cc2c1CN(C(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)CC2 ZINC000504173363 913058497 /nfs/dbraw/zinc/05/84/97/913058497.db2.gz UWIJECZUASVBDD-UHFFFAOYSA-N 0 0 404.416 4.466 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000471869659 886646139 /nfs/dbraw/zinc/64/61/39/886646139.db2.gz HRZVVBPTZGKMGN-LJQANCHMSA-N 0 0 417.874 4.020 20 5 HIBDRN Cc1cc(S(=O)(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000471870505 886648465 /nfs/dbraw/zinc/64/84/65/886648465.db2.gz MRZVDXPIDLTVJA-LJQANCHMSA-N 0 0 417.874 4.020 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c(F)c1 ZINC000504184105 913068665 /nfs/dbraw/zinc/06/86/65/913068665.db2.gz NRCRARNCEUFADL-SFHVURJKSA-N 0 0 413.371 4.238 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]3[C@@H]3CCCCC3=O)cc2[N+](=O)[O-])C1 ZINC000471905427 886688066 /nfs/dbraw/zinc/68/80/66/886688066.db2.gz LWXDGNNMFPWYGT-NEWSRXKRSA-N 0 0 413.518 4.195 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(Oc3ccccn3)cc2)cc([N+](=O)[O-])c1 ZINC000504186812 913070961 /nfs/dbraw/zinc/07/09/61/913070961.db2.gz SGQHGZIPCJRQBP-UHFFFAOYSA-N 0 0 407.382 4.211 20 5 HIBDRN CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)nn1 ZINC000472025737 886848128 /nfs/dbraw/zinc/84/81/28/886848128.db2.gz CQCVMBQNSJNSGM-UHFFFAOYSA-N 0 0 412.833 4.137 20 5 HIBDRN COc1ccc2c(c1)nc(CNCc1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)n2C ZINC000472124833 886914816 /nfs/dbraw/zinc/91/48/16/886914816.db2.gz VBLXXVDVORWGGA-UHFFFAOYSA-N 0 0 422.441 4.049 20 5 HIBDRN C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000472158863 886957200 /nfs/dbraw/zinc/95/72/00/886957200.db2.gz QUCNKEOGPGPXPH-DGCLKSJQSA-N 0 0 409.273 4.113 20 5 HIBDRN COCCOc1ccc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000472192884 886992397 /nfs/dbraw/zinc/99/23/97/886992397.db2.gz MMUPHZHAWRTSAG-LBPRGKRZSA-N 0 0 410.879 4.393 20 5 HIBDRN Cc1cc(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)ccc1[N+](=O)[O-] ZINC000472207448 887008733 /nfs/dbraw/zinc/00/87/33/887008733.db2.gz PFIOIMPFQAKYDM-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN O=C(c1cccc(-n2ccc(C(F)(F)F)n2)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000472244714 887054282 /nfs/dbraw/zinc/05/42/82/887054282.db2.gz XTHSVAVAFXPSRR-UHFFFAOYSA-N 0 0 402.332 4.002 20 5 HIBDRN O=C(Nc1ccnn1-c1cccc(F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000472276373 887093637 /nfs/dbraw/zinc/09/36/37/887093637.db2.gz LNAYCVMWIBWDGY-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN3CCN(CC(F)(F)F)c4ccccc43)n2)cc1 ZINC000472321128 887154212 /nfs/dbraw/zinc/15/42/12/887154212.db2.gz BJNJLLLNTRCBTC-UHFFFAOYSA-N 0 0 419.363 4.034 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)n2)ccc1F ZINC000472375575 887215940 /nfs/dbraw/zinc/21/59/40/887215940.db2.gz UDAGFKYSIACJQI-NSHDSACASA-N 0 0 418.812 4.166 20 5 HIBDRN Cc1cn(-c2ccccc2)nc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000472379543 887220339 /nfs/dbraw/zinc/22/03/39/887220339.db2.gz CWUYBFNZPDJYBU-UHFFFAOYSA-N 0 0 419.466 4.489 20 5 HIBDRN O=C(NCCc1cccc(-c2ccccc2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000472444755 887295428 /nfs/dbraw/zinc/29/54/28/887295428.db2.gz CASJBPZHQOYWMA-UHFFFAOYSA-N 0 0 413.433 4.488 20 5 HIBDRN CCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc2[nH]ccc2c1 ZINC000472464467 887323430 /nfs/dbraw/zinc/32/34/30/887323430.db2.gz RPLIXHOZINHTKB-UHFFFAOYSA-N 0 0 422.470 4.023 20 5 HIBDRN COc1ccccc1[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])OC(C)C ZINC000472471968 887332927 /nfs/dbraw/zinc/33/29/27/887332927.db2.gz RVDLMQXEFUFWHC-MRXNPFEDSA-N 0 0 410.268 4.339 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc(F)cc1[N+](=O)[O-] ZINC000504284531 913140123 /nfs/dbraw/zinc/14/01/23/913140123.db2.gz QSRXUUQHSUBWCW-UHFFFAOYSA-N 0 0 407.707 4.163 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000472587948 887465324 /nfs/dbraw/zinc/46/53/24/887465324.db2.gz ISUCOOQKTDZIIL-NSHDSACASA-N 0 0 403.287 4.424 20 5 HIBDRN Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnn1-c1ccccc1Cl ZINC000504299746 913151589 /nfs/dbraw/zinc/15/15/89/913151589.db2.gz QQGXMRGRPYZLSI-UHFFFAOYSA-N 0 0 413.865 4.188 20 5 HIBDRN CCC(CC)(CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000472639016 887503000 /nfs/dbraw/zinc/50/30/00/887503000.db2.gz AFHTXEVSUXNZLJ-UHFFFAOYSA-N 0 0 421.856 4.200 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000472690997 887545536 /nfs/dbraw/zinc/54/55/36/887545536.db2.gz YKKHTASFSVHMTI-PTZVLDCSSA-N 0 0 417.462 4.219 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])nn1CCCOc1ccc(F)cc1 ZINC000504317522 913162996 /nfs/dbraw/zinc/16/29/96/913162996.db2.gz FOYBMOMPQZUBFK-UHFFFAOYSA-N 0 0 416.384 4.099 20 5 HIBDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000504317142 913163627 /nfs/dbraw/zinc/16/36/27/913163627.db2.gz AXHIRSWYAYAMOA-CYBMUJFWSA-N 0 0 405.458 4.389 20 5 HIBDRN Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccc1F ZINC000504319162 913165150 /nfs/dbraw/zinc/16/51/50/913165150.db2.gz WEKDYIIARNYUNJ-UHFFFAOYSA-N 0 0 411.355 4.024 20 5 HIBDRN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000472839112 887690393 /nfs/dbraw/zinc/69/03/93/887690393.db2.gz HKQJUDMIEQHYCO-HNNXBMFYSA-N 0 0 403.442 4.372 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000472911268 887757642 /nfs/dbraw/zinc/75/76/42/887757642.db2.gz CCSWESDSZGBTHR-RLLQIKCJSA-N 0 0 412.442 4.083 20 5 HIBDRN COc1cccc(C=C2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000472929995 887778276 /nfs/dbraw/zinc/77/82/76/887778276.db2.gz QBRXRSNMNSQHOW-UHFFFAOYSA-N 0 0 418.453 4.109 20 5 HIBDRN CCC(=O)c1ccc(OCCCCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000473078551 887894530 /nfs/dbraw/zinc/89/45/30/887894530.db2.gz DWWFQWFUMGEZBY-UHFFFAOYSA-N 0 0 410.470 4.322 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N2CC=C(c3c(F)cccc3F)CC2)cccc1[N+](=O)[O-] ZINC000473179155 887957862 /nfs/dbraw/zinc/95/78/62/887957862.db2.gz VTAYOUAVLMDORT-CQSZACIVSA-N 0 0 401.413 4.298 20 5 HIBDRN CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000473195540 887973953 /nfs/dbraw/zinc/97/39/53/887973953.db2.gz SHZQPWOSUSNFGG-SFHVURJKSA-N 0 0 413.474 4.144 20 5 HIBDRN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000473206385 887982334 /nfs/dbraw/zinc/98/23/34/887982334.db2.gz JOLAIZKUUQHONS-LJQANCHMSA-N 0 0 413.474 4.144 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000504371097 913199465 /nfs/dbraw/zinc/19/94/65/913199465.db2.gz JRZDOULGMDGQNO-CYBMUJFWSA-N 0 0 411.458 4.302 20 5 HIBDRN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000473282315 888039044 /nfs/dbraw/zinc/03/90/44/888039044.db2.gz NAUKQLQFUUERBF-SFTDATJTSA-N 0 0 406.463 4.134 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccncc2)cc1 ZINC000473294180 888048045 /nfs/dbraw/zinc/04/80/45/888048045.db2.gz SMZCOYLAXLTLHP-CYBMUJFWSA-N 0 0 424.844 4.126 20 5 HIBDRN O=C(C[C@@H](c1cccs1)n1cccc1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000473306213 888055948 /nfs/dbraw/zinc/05/59/48/888055948.db2.gz LSDWKEYSIQYNLH-KRWDZBQOSA-N 0 0 407.455 4.466 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([C@H]2CCCOC2)[nH]n1 ZINC000473409508 888127857 /nfs/dbraw/zinc/12/78/57/888127857.db2.gz RJSPGOYGVHLBGT-ZDUSSCGKSA-N 0 0 404.492 4.212 20 5 HIBDRN O=C(Nc1cccnc1Oc1ccc(Cl)cc1Cl)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000473415139 888133955 /nfs/dbraw/zinc/13/39/55/888133955.db2.gz VCSLDTHBEITHLZ-UHFFFAOYSA-N 0 0 421.196 4.442 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 ZINC000473422085 888141936 /nfs/dbraw/zinc/14/19/36/888141936.db2.gz PQQXACLUWUWHGC-CYBMUJFWSA-N 0 0 404.492 4.356 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000504400585 913220448 /nfs/dbraw/zinc/22/04/48/913220448.db2.gz DQXNSUPSYHSBQW-GFCCVEGCSA-N 0 0 416.359 4.391 20 5 HIBDRN COc1cc(NC2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000473517317 888248344 /nfs/dbraw/zinc/24/83/44/888248344.db2.gz IBLRDNWTPFZGDG-UHFFFAOYSA-N 0 0 408.458 4.241 20 5 HIBDRN COC(=O)c1cccc(NC2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)c1 ZINC000473518174 888250593 /nfs/dbraw/zinc/25/05/93/888250593.db2.gz KHRFWNQBZLIRBB-UHFFFAOYSA-N 0 0 406.442 4.011 20 5 HIBDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000473532372 888270368 /nfs/dbraw/zinc/27/03/68/888270368.db2.gz PXEUGXKXQJRPNJ-KHXSAUHESA-N 0 0 402.497 4.380 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000504408649 913227883 /nfs/dbraw/zinc/22/78/83/913227883.db2.gz SLJINNRENRELOS-ZDUSSCGKSA-N 0 0 418.409 4.301 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H](c3cnn(C)c3)C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000473576082 888317848 /nfs/dbraw/zinc/31/78/48/888317848.db2.gz TYVDSYDOEAANEX-QRWLVFNGSA-N 0 0 413.522 4.082 20 5 HIBDRN C[C@@]1(O)CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000473598605 888342548 /nfs/dbraw/zinc/34/25/48/888342548.db2.gz KLZRLQQAOKRYDZ-HXUWFJFHSA-N 0 0 404.850 4.418 20 5 HIBDRN CCOc1cc(NC(=O)N2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])cc1OCC ZINC000473762151 888556900 /nfs/dbraw/zinc/55/69/00/888556900.db2.gz LEJOLRRKCFGXJL-QGZVFWFLSA-N 0 0 421.475 4.059 20 5 HIBDRN CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1)c1ccccc1 ZINC000473780474 888585908 /nfs/dbraw/zinc/58/59/08/888585908.db2.gz JFHDDWOENBRUSX-FQEVSTJZSA-N 0 0 424.501 4.210 20 5 HIBDRN Cc1cc(NC(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000473782280 888588904 /nfs/dbraw/zinc/58/89/04/888588904.db2.gz HNWDABWSSXPHMC-KRWDZBQOSA-N 0 0 422.441 4.076 20 5 HIBDRN COC(=O)COc1ccc(CNc2cc(-c3nc(C)co3)ccc2C)cc1[N+](=O)[O-] ZINC000473993842 888855166 /nfs/dbraw/zinc/85/51/66/888855166.db2.gz WQHBRMRQTZWEPD-UHFFFAOYSA-N 0 0 411.414 4.031 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000474114211 888933473 /nfs/dbraw/zinc/93/34/73/888933473.db2.gz IKIKLNSXZPSYIP-OAHLLOKOSA-N 0 0 407.474 4.361 20 5 HIBDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000474121488 888941245 /nfs/dbraw/zinc/94/12/45/888941245.db2.gz INSWZINWDJPVLX-ZWKOPEQDSA-N 0 0 410.293 4.335 20 5 HIBDRN C[C@@H](Oc1ccccc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000474141581 888964875 /nfs/dbraw/zinc/96/48/75/888964875.db2.gz ZZTSPEAVUVTUOB-MRXNPFEDSA-N 0 0 419.437 4.103 20 5 HIBDRN CN(Cc1cc2ccccc2o1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000474156455 888990261 /nfs/dbraw/zinc/99/02/61/888990261.db2.gz FXJGPWXFIZEVMP-UHFFFAOYSA-N 0 0 415.254 4.469 20 5 HIBDRN CCOc1cccc2[nH]cc(CC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])c21 ZINC000474159134 888996931 /nfs/dbraw/zinc/99/69/31/888996931.db2.gz NZSNLHDCHQMDCK-UHFFFAOYSA-N 0 0 401.850 4.030 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] ZINC000474167907 889005653 /nfs/dbraw/zinc/00/56/53/889005653.db2.gz FSUJGLYPJPDGRG-AWEZNQCLSA-N 0 0 410.396 4.411 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474193001 889030863 /nfs/dbraw/zinc/03/08/63/889030863.db2.gz AOVLTOOAVNMLII-STQMWFEESA-N 0 0 412.895 4.070 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474200381 889037406 /nfs/dbraw/zinc/03/74/06/889037406.db2.gz UNHHNTJVOMQYKH-STQMWFEESA-N 0 0 412.895 4.070 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1CSc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000504536070 913314467 /nfs/dbraw/zinc/31/44/67/913314467.db2.gz KRGYUOPNSGMILY-UHFFFAOYSA-N 0 0 413.478 4.203 20 5 HIBDRN Cc1cc(=O)n(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1[N+](=O)[O-] ZINC000474412260 889277665 /nfs/dbraw/zinc/27/76/65/889277665.db2.gz QOXMCNQNVMRDEY-UHFFFAOYSA-N 0 0 413.817 4.149 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1F ZINC000474532530 889405124 /nfs/dbraw/zinc/40/51/24/889405124.db2.gz FHHZWPMWWRPGGP-ZDUSSCGKSA-N 0 0 415.421 4.009 20 5 HIBDRN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCSc2ccc(Br)cc21 ZINC000504600605 913358687 /nfs/dbraw/zinc/35/86/87/913358687.db2.gz BECDPUPTOBZHIS-ZDUSSCGKSA-N 0 0 424.320 4.395 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cc([N+](=O)[O-])c1OC ZINC000474755602 889613604 /nfs/dbraw/zinc/61/36/04/889613604.db2.gz UEPSHFSLLKPRLS-CQSZACIVSA-N 0 0 407.426 4.165 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000474758962 889617994 /nfs/dbraw/zinc/61/79/94/889617994.db2.gz QVXNVARPMAVUSR-AWEZNQCLSA-N 0 0 411.355 4.452 20 5 HIBDRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000474805979 889659077 /nfs/dbraw/zinc/65/90/77/889659077.db2.gz DLYHISOKFKOERA-DLBZAZTESA-N 0 0 411.506 4.081 20 5 HIBDRN COc1c(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cccc1[N+](=O)[O-] ZINC000474914617 889776095 /nfs/dbraw/zinc/77/60/95/889776095.db2.gz WTQGOSMDTFZZHA-UHFFFAOYSA-N 0 0 415.833 4.418 20 5 HIBDRN COc1cccc(Cl)c1-c1noc(C)c1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000474915343 889776170 /nfs/dbraw/zinc/77/61/70/889776170.db2.gz RGUONBFAUVVHSS-UHFFFAOYSA-N 0 0 401.806 4.150 20 5 HIBDRN COc1c(C(=O)Nc2ccccc2CN2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000474952450 889808282 /nfs/dbraw/zinc/80/82/82/889808282.db2.gz IWMOGOMKQYFIAT-UHFFFAOYSA-N 0 0 403.438 4.418 20 5 HIBDRN Cc1cc(F)c(Br)cc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000474953341 889809930 /nfs/dbraw/zinc/80/99/30/889809930.db2.gz LKMCVCFNOHJSSL-UHFFFAOYSA-N 0 0 411.231 4.038 20 5 HIBDRN COc1c(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cccc1[N+](=O)[O-] ZINC000474970584 889825777 /nfs/dbraw/zinc/82/57/77/889825777.db2.gz SFBMETJCROTAGZ-HNNXBMFYSA-N 0 0 407.426 4.068 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1Cl ZINC000474977835 889832037 /nfs/dbraw/zinc/83/20/37/889832037.db2.gz XSWSIMRPQSKLIM-UHFFFAOYSA-N 0 0 419.865 4.428 20 5 HIBDRN COc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cccc1[N+](=O)[O-] ZINC000475016337 889869997 /nfs/dbraw/zinc/86/99/97/889869997.db2.gz UWJLXBSDFCWUDR-UHFFFAOYSA-N 0 0 409.373 4.247 20 5 HIBDRN CCC1(CC)CCC(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000475097156 889944482 /nfs/dbraw/zinc/94/44/82/889944482.db2.gz YMSZJIROFLLKIG-UHFFFAOYSA-N 0 0 403.479 4.148 20 5 HIBDRN C[C@H](NC(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000475107887 889956085 /nfs/dbraw/zinc/95/60/85/889956085.db2.gz IHGGVPGRMQFOQR-UGSOOPFHSA-N 0 0 423.391 4.458 20 5 HIBDRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475182362 890053029 /nfs/dbraw/zinc/05/30/29/890053029.db2.gz FOGUGOQBINWRJT-NDEPHWFRSA-N 0 0 415.393 4.015 20 5 HIBDRN O=C(NCc1cnn(Cc2ccccc2)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475202774 890071900 /nfs/dbraw/zinc/07/19/00/890071900.db2.gz DVYLEYJYBNJSKN-UHFFFAOYSA-N 0 0 419.363 4.180 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000475207629 890077680 /nfs/dbraw/zinc/07/76/80/890077680.db2.gz HBKYXIIPRZNGAD-LJQANCHMSA-N 0 0 417.425 4.289 20 5 HIBDRN CC(C)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000475217594 890086221 /nfs/dbraw/zinc/08/62/21/890086221.db2.gz XKOKOMSVRCBKIK-OAHLLOKOSA-N 0 0 422.367 4.175 20 5 HIBDRN CC(C)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nc(C2CC2)no1 ZINC000475217214 890086738 /nfs/dbraw/zinc/08/67/38/890086738.db2.gz WUBDCPIQOUZVRG-ZDUSSCGKSA-N 0 0 413.356 4.393 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc([N+](=O)[O-])c1 ZINC000475220473 890089143 /nfs/dbraw/zinc/08/91/43/890089143.db2.gz PCWJVPMQRZFCJV-SFHVURJKSA-N 0 0 423.425 4.280 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cn(-c2ccccc2)nn1 ZINC000475233664 890106025 /nfs/dbraw/zinc/10/60/25/890106025.db2.gz MGEJNUWQJQSMJL-LLVKDONJSA-N 0 0 420.351 4.077 20 5 HIBDRN COc1cc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475279409 890175686 /nfs/dbraw/zinc/17/56/86/890175686.db2.gz NPEBWALJBSVKGI-ONGXEEELSA-N 0 0 416.318 4.317 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N(Cc2ccccc2)CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000475284727 890182361 /nfs/dbraw/zinc/18/23/61/890182361.db2.gz KMOFBPMRAOXZAM-GOSISDBHSA-N 0 0 411.502 4.481 20 5 HIBDRN COc1ccc(CN2C[C@@H](C)O[C@H](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475291163 890193440 /nfs/dbraw/zinc/19/34/40/890193440.db2.gz LVSKKOGGBRXMTI-MWTRTKDXSA-N 0 0 412.486 4.182 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2c(C)cccc2I)cc1[N+](=O)[O-] ZINC000475301847 890210409 /nfs/dbraw/zinc/21/04/09/890210409.db2.gz LPBUOZIEIHUZQO-GFCCVEGCSA-N 0 0 424.238 4.307 20 5 HIBDRN COC(=O)[C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000475374717 890303666 /nfs/dbraw/zinc/30/36/66/890303666.db2.gz QSYXIEFVBDYXSI-KDOFPFPSSA-N 0 0 402.422 4.157 20 5 HIBDRN COc1c(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cccc1[N+](=O)[O-] ZINC000475472628 890380936 /nfs/dbraw/zinc/38/09/36/890380936.db2.gz SYNBBKLWNMFUMV-UHFFFAOYSA-N 0 0 417.421 4.059 20 5 HIBDRN CC(C)(O)COc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000475490727 890396817 /nfs/dbraw/zinc/39/68/17/890396817.db2.gz FJJBNNBYQVKJNV-UHFFFAOYSA-N 0 0 413.455 4.120 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000475553055 890480082 /nfs/dbraw/zinc/48/00/82/890480082.db2.gz XJEMSFOCJVPEIA-UHFFFAOYSA-N 0 0 410.474 4.159 20 5 HIBDRN CCOC(=O)C[C@H](NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccc(F)cc1 ZINC000475566620 890496196 /nfs/dbraw/zinc/49/61/96/890496196.db2.gz UIPWKWIMSUBEGA-KRWDZBQOSA-N 0 0 403.410 4.167 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000475570594 890501309 /nfs/dbraw/zinc/50/13/09/890501309.db2.gz TVRUKAGXWOWRNB-GOSISDBHSA-N 0 0 410.474 4.028 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000475579660 890510378 /nfs/dbraw/zinc/51/03/78/890510378.db2.gz BWTDJWJPVGRXLM-KRWDZBQOSA-N 0 0 410.434 4.175 20 5 HIBDRN Cn1c(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc2cccc(Cl)c21 ZINC000475695836 890635523 /nfs/dbraw/zinc/63/55/23/890635523.db2.gz JYRNHQSRUMATTO-UHFFFAOYSA-N 0 0 412.755 4.084 20 5 HIBDRN COc1cccc(N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c1[N+](=O)[O-] ZINC000475729753 890669538 /nfs/dbraw/zinc/66/95/38/890669538.db2.gz XXCVVQJXSYTOBF-MRXNPFEDSA-N 0 0 411.227 4.083 20 5 HIBDRN C[C@H](CSCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1 ZINC000475862349 890798912 /nfs/dbraw/zinc/79/89/12/890798912.db2.gz BOSLHKRXSSMTAX-CQSZACIVSA-N 0 0 402.472 4.232 20 5 HIBDRN O=C(COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@H]1Cc2ccccc21 ZINC000475889611 890823264 /nfs/dbraw/zinc/82/32/64/890823264.db2.gz WCEHWQXMDACGMD-AWEZNQCLSA-N 0 0 413.227 4.193 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](C)c2cc(F)ccc2OC)c([N+](=O)[O-])cc1OCC ZINC000504770764 913503652 /nfs/dbraw/zinc/50/36/52/913503652.db2.gz PDVAMMYMLQJDSR-GFCCVEGCSA-N 0 0 421.425 4.423 20 5 HIBDRN CCCN1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2cc(F)ccc21 ZINC000476095319 891016940 /nfs/dbraw/zinc/01/69/40/891016940.db2.gz LTRAPFWHCWKNAB-UHFFFAOYSA-N 0 0 423.448 4.011 20 5 HIBDRN COc1c(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC000476104430 891024659 /nfs/dbraw/zinc/02/46/59/891024659.db2.gz ADPZDHKMIRPFJO-UHFFFAOYSA-N 0 0 419.275 4.170 20 5 HIBDRN CCNc1ccc(Cl)cc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000476193476 891124497 /nfs/dbraw/zinc/12/44/97/891124497.db2.gz DUQFWVPHLCKBGB-UHFFFAOYSA-N 0 0 403.866 4.364 20 5 HIBDRN O=C(NC1CCC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1)C1CC1 ZINC000476212166 891142064 /nfs/dbraw/zinc/14/20/64/891142064.db2.gz YREUOFPZMAYJGJ-UHFFFAOYSA-N 0 0 421.497 4.213 20 5 HIBDRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000476303945 891215430 /nfs/dbraw/zinc/21/54/30/891215430.db2.gz VBOXEMISZCMQBV-UHFFFAOYSA-N 0 0 413.865 4.111 20 5 HIBDRN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000476350983 891255509 /nfs/dbraw/zinc/25/55/09/891255509.db2.gz OWPSDHITCKRSKT-PZJWPPBQSA-N 0 0 406.463 4.134 20 5 HIBDRN CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476355267 891260021 /nfs/dbraw/zinc/26/00/21/891260021.db2.gz GAWGCWHFWFARPF-UHFFFAOYSA-N 0 0 402.451 4.247 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000476388307 891303633 /nfs/dbraw/zinc/30/36/33/891303633.db2.gz CRJNWCSIZAAINZ-ZDUSSCGKSA-N 0 0 410.499 4.431 20 5 HIBDRN COc1c(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cccc1[N+](=O)[O-] ZINC000476412444 891324978 /nfs/dbraw/zinc/32/49/78/891324978.db2.gz ROAXVTDSBSXVIU-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1F ZINC000476473454 891383378 /nfs/dbraw/zinc/38/33/78/891383378.db2.gz SIOXJEBHJZLPDA-UHFFFAOYSA-N 0 0 408.842 4.387 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCN(C)Cc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000504830678 913551863 /nfs/dbraw/zinc/55/18/63/913551863.db2.gz JKMNHCOZFGSEQX-QZTJIDSGSA-N 0 0 422.529 4.169 20 5 HIBDRN CCCSc1nsc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000476478371 891388236 /nfs/dbraw/zinc/38/82/36/891388236.db2.gz YJEFUBOUWGVJLW-UHFFFAOYSA-N 0 0 423.520 4.024 20 5 HIBDRN COc1c(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] ZINC000476482977 891392691 /nfs/dbraw/zinc/39/26/91/891392691.db2.gz ODDKVGNYEZATTO-UHFFFAOYSA-N 0 0 417.874 4.353 20 5 HIBDRN COc1cc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3F)o2)cc(OC)c1OC ZINC000476524615 891437812 /nfs/dbraw/zinc/43/78/12/891437812.db2.gz WOTIYGJHJVWDCE-UHFFFAOYSA-N 0 0 421.406 4.102 20 5 HIBDRN O=C(NC[C@@H]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000476554564 891471395 /nfs/dbraw/zinc/47/13/95/891471395.db2.gz XTEQBJOPYMCDAP-DOMZBBRYSA-N 0 0 406.891 4.290 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1ccc(Br)s1 ZINC000504838500 913561793 /nfs/dbraw/zinc/56/17/93/913561793.db2.gz JKXHHNKMMHCCCS-LBPRGKRZSA-N 0 0 421.276 4.272 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCc1nc(-c2ccc(OCc3cccnc3)cc2)no1 ZINC000504838318 913562031 /nfs/dbraw/zinc/56/20/31/913562031.db2.gz GHKVDIKMDIKKDB-UHFFFAOYSA-N 0 0 404.382 4.198 20 5 HIBDRN CC(C)CN([C@H]1CCCc2cccnc21)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000476607334 891541756 /nfs/dbraw/zinc/54/17/56/891541756.db2.gz YJZMECUKQUKHLF-KRWDZBQOSA-N 0 0 423.922 4.368 20 5 HIBDRN CCCN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000476606655 891541780 /nfs/dbraw/zinc/54/17/80/891541780.db2.gz PSZZROOMMOSMRS-GOSISDBHSA-N 0 0 403.504 4.031 20 5 HIBDRN COc1c(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000476673620 891622467 /nfs/dbraw/zinc/62/24/67/891622467.db2.gz LOOFAYOIOMGDAJ-OAHLLOKOSA-N 0 0 423.494 4.262 20 5 HIBDRN CCC(CC)(CNC(=O)c1cccc([N+](=O)[O-])c1OC)c1ccc(OC)c(OC)c1 ZINC000476685905 891637467 /nfs/dbraw/zinc/63/74/67/891637467.db2.gz JYSPNBOSJPWZID-UHFFFAOYSA-N 0 0 416.474 4.108 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)ccc1C(N)=O ZINC000504853131 913581236 /nfs/dbraw/zinc/58/12/36/913581236.db2.gz OZDNQMOUIFIGNX-UHFFFAOYSA-N 0 0 401.488 4.393 20 5 HIBDRN C[C@H](NC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1cccc([N+](=O)[O-])c1 ZINC000504856206 913582623 /nfs/dbraw/zinc/58/26/23/913582623.db2.gz FLQLZGVDRKZONF-LBPRGKRZSA-N 0 0 408.380 4.355 20 5 HIBDRN CC(C)Oc1cc(CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC000504857750 913585418 /nfs/dbraw/zinc/58/54/18/913585418.db2.gz MOCFFJYWMVFPRP-UHFFFAOYSA-N 0 0 401.488 4.060 20 5 HIBDRN Cc1sc(NC(=O)c2csc(-c3cnccn3)n2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000476809102 891795445 /nfs/dbraw/zinc/79/54/45/891795445.db2.gz RSRRMIMXHRNDCV-UHFFFAOYSA-N 0 0 424.467 4.193 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000476842316 891817640 /nfs/dbraw/zinc/81/76/40/891817640.db2.gz DKSVNGFWOIYSDZ-KRWDZBQOSA-N 0 0 422.254 4.447 20 5 HIBDRN Cc1nc([C@H]2CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cs1 ZINC000476859003 891826043 /nfs/dbraw/zinc/82/60/43/891826043.db2.gz YHJQUXRPJCWJBZ-OAQYLSRUSA-N 0 0 403.507 4.283 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000476873366 891834864 /nfs/dbraw/zinc/83/48/64/891834864.db2.gz VVPXIIFWGVUVQW-QGZVFWFLSA-N 0 0 422.254 4.447 20 5 HIBDRN Cc1ccc(Br)c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000476994897 891921377 /nfs/dbraw/zinc/92/13/77/891921377.db2.gz MHFDYNYLCCOTGC-UHFFFAOYSA-N 0 0 419.275 4.349 20 5 HIBDRN O=C(CCN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000477013428 891939644 /nfs/dbraw/zinc/93/96/44/891939644.db2.gz SFELHVHYVFXECK-SFHVURJKSA-N 0 0 423.391 4.016 20 5 HIBDRN CCc1c(NC(=O)c2cccc([N+](=O)[O-])c2OC)cnn1-c1ccc(Cl)cc1 ZINC000477023394 891951059 /nfs/dbraw/zinc/95/10/59/891951059.db2.gz HQYYGRGDLPMPKK-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000477035133 891960819 /nfs/dbraw/zinc/96/08/19/891960819.db2.gz OXFJSTXWBAVBKI-HSZRJFAPSA-N 0 0 409.486 4.149 20 5 HIBDRN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000477042214 891968516 /nfs/dbraw/zinc/96/85/16/891968516.db2.gz HLLMMWGWKXVQRR-NRFANRHFSA-N 0 0 424.478 4.365 20 5 HIBDRN O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477050153 891978561 /nfs/dbraw/zinc/97/85/61/891978561.db2.gz QEKQQZWHNBZFMY-JOCHJYFZSA-N 0 0 420.446 4.474 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000477095510 892029366 /nfs/dbraw/zinc/02/93/66/892029366.db2.gz SNSNYPLFYPSVBK-CWTRNNRKSA-N 0 0 403.866 4.329 20 5 HIBDRN O=C(COC/C=C/c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000477252514 892205258 /nfs/dbraw/zinc/20/52/58/892205258.db2.gz OHEGELMGOGYHKJ-RMKNXTFCSA-N 0 0 408.376 4.216 20 5 HIBDRN COc1cc(C(=O)NCc2ccn(C)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477259342 892212460 /nfs/dbraw/zinc/21/24/60/892212460.db2.gz YQIGWSRXIBHGBM-UHFFFAOYSA-N 0 0 415.833 4.318 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cc(F)ccc1Br ZINC000477265348 892219314 /nfs/dbraw/zinc/21/93/14/892219314.db2.gz RAJVLUATYMQMGB-UHFFFAOYSA-N 0 0 401.619 4.388 20 5 HIBDRN COCCC1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCCCC1 ZINC000477278808 892231759 /nfs/dbraw/zinc/23/17/59/892231759.db2.gz NTWOXWOQYVZUND-UHFFFAOYSA-N 0 0 418.412 4.253 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000477283607 892237416 /nfs/dbraw/zinc/23/74/16/892237416.db2.gz WBSRFTXUHJPBKI-UHFFFAOYSA-N 0 0 402.882 4.262 20 5 HIBDRN CCOc1ccc([C@H](C)N[C@@H](CCSC)c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000504912198 913647581 /nfs/dbraw/zinc/64/75/81/913647581.db2.gz RXFHHWSFSLBPKI-HOCLYGCPSA-N 0 0 415.519 4.181 20 5 HIBDRN COc1cc(C(=O)N2CC=C(c3cccc(Cl)c3)CC2)cc([N+](=O)[O-])c1OC ZINC000477352495 892317894 /nfs/dbraw/zinc/31/78/94/892317894.db2.gz LARIFXZCLVHXEO-UHFFFAOYSA-N 0 0 402.834 4.195 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)CC/C=C/c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000477352836 892319543 /nfs/dbraw/zinc/31/95/43/892319543.db2.gz RIGUINDKSUOYRU-UXBLZVDNSA-N 0 0 409.486 4.136 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3ccc4sccc4c3)CC2)ccc1[N+](=O)[O-] ZINC000477361676 892326187 /nfs/dbraw/zinc/32/61/87/892326187.db2.gz LXAGRAJWWNAETO-UHFFFAOYSA-N 0 0 411.483 4.171 20 5 HIBDRN COc1cc(C(=O)N2CC=C(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000477377340 892338025 /nfs/dbraw/zinc/33/80/25/892338025.db2.gz GMUODWXWDSOTGP-UHFFFAOYSA-N 0 0 402.834 4.195 20 5 HIBDRN COc1ccc([C@H]2CCN(C(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)C2)cc1 ZINC000504920181 913656910 /nfs/dbraw/zinc/65/69/10/913656910.db2.gz SLVRVLQNSBQVKW-XLIONFOSSA-N 0 0 423.513 4.469 20 5 HIBDRN CSc1cccc(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000477435005 892385739 /nfs/dbraw/zinc/38/57/39/892385739.db2.gz JJVKUBYGUXKRMF-UHFFFAOYSA-N 0 0 410.499 4.452 20 5 HIBDRN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477449370 892399139 /nfs/dbraw/zinc/39/91/39/892399139.db2.gz FZMKRVUHCWUNQZ-UHFFFAOYSA-N 0 0 413.449 4.286 20 5 HIBDRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000504921637 913659122 /nfs/dbraw/zinc/65/91/22/913659122.db2.gz XFZSYIIRWJAXHV-GFCCVEGCSA-N 0 0 411.277 4.405 20 5 HIBDRN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccc(OCc2ccccn2)c1 ZINC000477452843 892410109 /nfs/dbraw/zinc/41/01/09/892410109.db2.gz QGPRHSHYKYKWNA-HNNXBMFYSA-N 0 0 409.417 4.128 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000477471447 892449820 /nfs/dbraw/zinc/44/98/20/892449820.db2.gz OCDGIPSUPWBNBV-SFHVURJKSA-N 0 0 419.865 4.170 20 5 HIBDRN COc1cc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC(F)F ZINC000477485994 892479368 /nfs/dbraw/zinc/47/93/68/892479368.db2.gz AKLXPQJDRPXZHO-AWEZNQCLSA-N 0 0 422.384 4.271 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000477488096 892482131 /nfs/dbraw/zinc/48/21/31/892482131.db2.gz HAALDTXPFREVSB-KRWDZBQOSA-N 0 0 422.268 4.074 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CNC3(c4ccc(Br)cc4)CC3)n2)c1 ZINC000477486915 892483451 /nfs/dbraw/zinc/48/34/51/892483451.db2.gz TYGFNGMCQHJNHQ-UHFFFAOYSA-N 0 0 415.247 4.186 20 5 HIBDRN CCCC(=O)Nc1cccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000477507049 892518954 /nfs/dbraw/zinc/51/89/54/892518954.db2.gz FHKPGRUFWHMOOH-UHFFFAOYSA-N 0 0 404.854 4.351 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccccc2OC)C(C)C)cc1OC ZINC000477526432 892552668 /nfs/dbraw/zinc/55/26/68/892552668.db2.gz JOLLJUNPZOOWPI-QGZVFWFLSA-N 0 0 416.474 4.008 20 5 HIBDRN COC(=O)c1cc(C(=O)N(C)C2c3ccccc3-c3ccccc32)cc([N+](=O)[O-])c1 ZINC000477549638 892592918 /nfs/dbraw/zinc/59/29/18/892592918.db2.gz ZDYDDZVYBSHKKT-UHFFFAOYSA-N 0 0 402.406 4.223 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000477597672 892674982 /nfs/dbraw/zinc/67/49/82/892674982.db2.gz FGYVNKOIHFKCOW-UHFFFAOYSA-N 0 0 406.263 4.476 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC000477624272 892734712 /nfs/dbraw/zinc/73/47/12/892734712.db2.gz GFBZMILNCCWZRO-AWEZNQCLSA-N 0 0 403.866 4.202 20 5 HIBDRN O=c1c(Cl)c(NC[C@H]2CCC3(CCCCC3)O2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000477638231 892760907 /nfs/dbraw/zinc/76/09/07/892760907.db2.gz UZLRQGLLJWCZIT-MRXNPFEDSA-N 0 0 418.881 4.088 20 5 HIBDRN O=C(NCc1ccc(Oc2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000504960112 913698783 /nfs/dbraw/zinc/69/87/83/913698783.db2.gz UHFVWKFKPCLODR-UHFFFAOYSA-N 0 0 406.394 4.088 20 5 HIBDRN CCNc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000477672355 892804217 /nfs/dbraw/zinc/80/42/17/892804217.db2.gz FHLXREOJDIEOTO-IBGZPJMESA-N 0 0 413.474 4.148 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1c2ccccc2-c2ccccc21 ZINC000477743229 892838595 /nfs/dbraw/zinc/83/85/95/892838595.db2.gz IMZJLNZKWUYZDU-UHFFFAOYSA-N 0 0 403.438 4.244 20 5 HIBDRN C[S@](=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1F ZINC000477744917 892839725 /nfs/dbraw/zinc/83/97/25/892839725.db2.gz CQSGONFFCZZDOB-LJAQVGFWSA-N 0 0 413.430 4.467 20 5 HIBDRN COc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c1C ZINC000477793828 892870997 /nfs/dbraw/zinc/87/09/97/892870997.db2.gz SAFKFOPOHRXTMH-UHFFFAOYSA-N 0 0 404.835 4.336 20 5 HIBDRN COC(=O)c1csc(-c2cccc(CNc3ncc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000477800762 892874450 /nfs/dbraw/zinc/87/44/50/892874450.db2.gz 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COc1cc(CNCc2nc(-c3cc4ccccc4o3)cs2)c([N+](=O)[O-])cc1O ZINC000479392472 894695686 /nfs/dbraw/zinc/69/56/86/894695686.db2.gz LSWBJLSVQVXZSZ-UHFFFAOYSA-N 0 0 411.439 4.469 20 5 HIBDRN CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000479407257 894715105 /nfs/dbraw/zinc/71/51/05/894715105.db2.gz LJFMJEXKUUXGLS-UHFFFAOYSA-N 0 0 411.867 4.096 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000479420062 894731204 /nfs/dbraw/zinc/73/12/04/894731204.db2.gz HXSUJQUJTNKJBI-INIZCTEOSA-N 0 0 400.406 4.117 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000505254719 913908557 /nfs/dbraw/zinc/90/85/57/913908557.db2.gz NIFVNILEWHYCNQ-LEWJYISDSA-N 0 0 413.474 4.108 20 5 HIBDRN CC(C)(C)OC(=O)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000479566225 894862110 /nfs/dbraw/zinc/86/21/10/894862110.db2.gz CFMUQQSWCDXXIZ-MRXNPFEDSA-N 0 0 424.375 4.426 20 5 HIBDRN O=[N+]([O-])c1cc(CNCc2cc(Br)ccc2Br)cs1 ZINC000479618294 894887803 /nfs/dbraw/zinc/88/78/03/894887803.db2.gz RCAOVNNKQCPEAH-UHFFFAOYSA-N 0 0 406.099 4.471 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-n2cccn2)c(F)c1 ZINC000505258048 913914613 /nfs/dbraw/zinc/91/46/13/913914613.db2.gz QISLGUSFAHQHHG-LLVKDONJSA-N 0 0 420.347 4.012 20 5 HIBDRN O=C(Nc1ccc(Br)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000479658394 894932604 /nfs/dbraw/zinc/93/26/04/894932604.db2.gz HCHRXTHVDQYWQU-UHFFFAOYSA-N 0 0 420.263 4.433 20 5 HIBDRN CCCOc1ccc([C@@H](C)NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1OC ZINC000479668972 894947215 /nfs/dbraw/zinc/94/72/15/894947215.db2.gz XEJCZOWWBLGJQC-OAHLLOKOSA-N 0 0 424.457 4.069 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCc3cc(Br)ccc3C2)cc1[N+](=O)[O-] ZINC000479699505 894991209 /nfs/dbraw/zinc/99/12/09/894991209.db2.gz JADGTEAETBHSEO-CYBMUJFWSA-N 0 0 418.291 4.495 20 5 HIBDRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000479705717 895000026 /nfs/dbraw/zinc/00/00/26/895000026.db2.gz JXRJHHQNUSTHLM-GOSISDBHSA-N 0 0 418.375 4.074 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000479753337 895052522 /nfs/dbraw/zinc/05/25/22/895052522.db2.gz KVVUWUUIMOFZLM-ZNOIYHFQSA-N 0 0 413.474 4.191 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000479753326 895052709 /nfs/dbraw/zinc/05/27/09/895052709.db2.gz KVVUWUUIMOFZLM-AGRHKRQWSA-N 0 0 413.474 4.191 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC000479755818 895055231 /nfs/dbraw/zinc/05/52/31/895055231.db2.gz YTPFEFZUVGVSPI-UHFFFAOYSA-N 0 0 423.400 4.176 20 5 HIBDRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000479762438 895063966 /nfs/dbraw/zinc/06/39/66/895063966.db2.gz BTURSTWNXOVWLT-HNNXBMFYSA-N 0 0 421.291 4.459 20 5 HIBDRN COC(=O)c1ccc([C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000479771671 895074216 /nfs/dbraw/zinc/07/42/16/895074216.db2.gz OOEPECZTGSBASF-HNNXBMFYSA-N 0 0 411.336 4.115 20 5 HIBDRN COCC[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000479779631 895082040 /nfs/dbraw/zinc/08/20/40/895082040.db2.gz CCROKAGEZQFPIX-GOSISDBHSA-N 0 0 415.490 4.240 20 5 HIBDRN O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000505278220 913936183 /nfs/dbraw/zinc/93/61/83/913936183.db2.gz JDVVQMRTTHJPBP-IBGZPJMESA-N 0 0 405.458 4.227 20 5 HIBDRN O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000479854669 895189670 /nfs/dbraw/zinc/18/96/70/895189670.db2.gz FFLZMPLLUIZNOI-UHFFFAOYSA-N 0 0 417.450 4.213 20 5 HIBDRN COc1cc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1C ZINC000479866997 895205230 /nfs/dbraw/zinc/20/52/30/895205230.db2.gz UIFWBYQEHBMRQZ-SFHVURJKSA-N 0 0 424.375 4.144 20 5 HIBDRN COc1cc(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)ccc1[N+](=O)[O-] ZINC000479867190 895208309 /nfs/dbraw/zinc/20/83/09/895208309.db2.gz PGUUNHGQDLWQNG-UHFFFAOYSA-N 0 0 405.313 4.112 20 5 HIBDRN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000505289737 913948539 /nfs/dbraw/zinc/94/85/39/913948539.db2.gz LENJSZHMHVCSNB-UHFFFAOYSA-N 0 0 409.364 4.103 20 5 HIBDRN O=C(NCc1ccc(OC(F)(F)F)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000479949025 895303488 /nfs/dbraw/zinc/30/34/88/895303488.db2.gz JNMNJPIXIKBJQO-UHFFFAOYSA-N 0 0 409.364 4.368 20 5 HIBDRN O=[N+]([O-])c1ccc(CNCc2cc(Br)ccc2OC(F)F)c(F)c1 ZINC000480042579 895390694 /nfs/dbraw/zinc/39/06/94/895390694.db2.gz HAEHDBWEZJRXCJ-UHFFFAOYSA-N 0 0 405.170 4.388 20 5 HIBDRN Cc1c(CNC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000480054790 895401785 /nfs/dbraw/zinc/40/17/85/895401785.db2.gz PTZJHCYSCHNWMM-GOSISDBHSA-N 0 0 423.391 4.205 20 5 HIBDRN Cc1c(CNC(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cccc1[N+](=O)[O-] ZINC000480059909 895406730 /nfs/dbraw/zinc/40/67/30/895406730.db2.gz NQUISHYHAIWKGA-HNNXBMFYSA-N 0 0 412.421 4.273 20 5 HIBDRN Cc1c(CNC(=O)N(C)CCc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000480064225 895413340 /nfs/dbraw/zinc/41/33/40/895413340.db2.gz VFJOAZIQCQUEQB-UHFFFAOYSA-N 0 0 406.280 4.050 20 5 HIBDRN CCC(=O)c1ccc(N[C@@H](CCO)c2ccccc2Br)c([N+](=O)[O-])c1 ZINC000480106621 895476405 /nfs/dbraw/zinc/47/64/05/895476405.db2.gz DWWGNEFEVBQRGD-HNNXBMFYSA-N 0 0 407.264 4.486 20 5 HIBDRN COc1cc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000480118449 895491330 /nfs/dbraw/zinc/49/13/30/895491330.db2.gz VXECIRVTNXGRMH-BUXKBTBVSA-N 0 0 404.850 4.167 20 5 HIBDRN O=C(CNc1cc(F)cc([N+](=O)[O-])c1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000480161953 895549291 /nfs/dbraw/zinc/54/92/91/895549291.db2.gz SIISLPAEIDGSIN-INIZCTEOSA-N 0 0 414.418 4.178 20 5 HIBDRN COCCSc1ccc([C@H](C)NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 ZINC000480161058 895549550 /nfs/dbraw/zinc/54/95/50/895549550.db2.gz HZHRSVFSWVRMPQ-AWEZNQCLSA-N 0 0 404.488 4.141 20 5 HIBDRN COc1cc(C(=O)Nc2nc(Sc3ccccc3)ns2)cc([N+](=O)[O-])c1C ZINC000480177161 895568949 /nfs/dbraw/zinc/56/89/49/895568949.db2.gz FSXWGHZWPCUVNH-UHFFFAOYSA-N 0 0 402.457 4.167 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000480193475 895590707 /nfs/dbraw/zinc/59/07/07/895590707.db2.gz DNNFJDGNZFLZKC-QGZVFWFLSA-N 0 0 420.462 4.116 20 5 HIBDRN COc1cc(OCC(=O)Nc2cc(-c3ccccc3)nn2C(C)C)ccc1[N+](=O)[O-] ZINC000505323822 913985836 /nfs/dbraw/zinc/98/58/36/913985836.db2.gz ZCJNWOCCTWJJQF-UHFFFAOYSA-N 0 0 410.430 4.065 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)C[C@@H]1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000480285918 895690823 /nfs/dbraw/zinc/69/08/23/895690823.db2.gz BVKTWTCRDRONHV-DYESRHJHSA-N 0 0 424.497 4.289 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000480289712 895694315 /nfs/dbraw/zinc/69/43/15/895694315.db2.gz LDRHXXPGDWBCSW-UHFFFAOYSA-N 0 0 412.471 4.269 20 5 HIBDRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000480304835 895708362 /nfs/dbraw/zinc/70/83/62/895708362.db2.gz LKDCMTDZRQFYKE-GFCCVEGCSA-N 0 0 409.255 4.334 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)c([N+](=O)[O-])c1 ZINC000480316361 895720296 /nfs/dbraw/zinc/72/02/96/895720296.db2.gz UFSCYCYDQFBBIS-SNVBAGLBSA-N 0 0 411.227 4.322 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Nc2cccc(OCC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000480338393 895743089 /nfs/dbraw/zinc/74/30/89/895743089.db2.gz UACHWGIQMIZGSM-UHFFFAOYSA-N 0 0 420.347 4.244 20 5 HIBDRN Cc1sc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cc1[N+](=O)[O-] ZINC000480379708 895786384 /nfs/dbraw/zinc/78/63/84/895786384.db2.gz BHCOJUJXHIVZFA-UHFFFAOYSA-N 0 0 407.455 4.204 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(OC(F)F)c3cccnc23)cc([N+](=O)[O-])c1C ZINC000480408275 895809407 /nfs/dbraw/zinc/80/94/07/895809407.db2.gz FYCOBXGLVNULGE-UHFFFAOYSA-N 0 0 403.341 4.314 20 5 HIBDRN Cc1ccc(CN2CC[C@H](NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000480464689 895848163 /nfs/dbraw/zinc/84/81/63/895848163.db2.gz HQKXTRBRAFUVLP-NRFANRHFSA-N 0 0 405.454 4.054 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Oc2ccccc2OCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000480488583 895862486 /nfs/dbraw/zinc/86/24/86/895862486.db2.gz JHXNTUGUKSCQSQ-UHFFFAOYSA-N 0 0 421.331 4.293 20 5 HIBDRN CCS(=O)(=O)c1ccc(CNc2cc(C)c([N+](=O)[O-])cc2Br)s1 ZINC000480509150 895877417 /nfs/dbraw/zinc/87/74/17/895877417.db2.gz KQUZVICRSOWSDR-UHFFFAOYSA-N 0 0 419.322 4.133 20 5 HIBDRN COc1cc(CCNC(=O)N(Cc2ccccc2)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000480571090 895931330 /nfs/dbraw/zinc/93/13/30/895931330.db2.gz GXMNWAUOZUJVEX-UHFFFAOYSA-N 0 0 415.490 4.022 20 5 HIBDRN COc1cc(CCNC(=O)N(CCC(C)C)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000480575908 895935135 /nfs/dbraw/zinc/93/51/35/895935135.db2.gz ZSBUKVTYYLMSLC-UHFFFAOYSA-N 0 0 407.511 4.155 20 5 HIBDRN CC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 ZINC000480585094 895946224 /nfs/dbraw/zinc/94/62/24/895946224.db2.gz RFQAJAJRTWJAQH-UHFFFAOYSA-N 0 0 401.488 4.231 20 5 HIBDRN CC[C@@H](NS(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480734501 896095511 /nfs/dbraw/zinc/09/55/11/896095511.db2.gz IUCSULRRTIOYPJ-MRXNPFEDSA-N 0 0 402.394 4.129 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3nc(-c4ccccc4Cl)cs3)C2)nc1 ZINC000480774155 896138752 /nfs/dbraw/zinc/13/87/52/896138752.db2.gz UYEGWGIRLQINHR-ZDUSSCGKSA-N 0 0 415.906 4.453 20 5 HIBDRN Cc1c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cnn1-c1ccccc1F ZINC000480796386 896164776 /nfs/dbraw/zinc/16/47/76/896164776.db2.gz XUPCIXKYFFGLFA-UHFFFAOYSA-N 0 0 409.421 4.425 20 5 HIBDRN CCOC(=O)c1cc(N2CCC(n3c(C)nc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000480835771 896209798 /nfs/dbraw/zinc/20/97/98/896209798.db2.gz CSXKERGQNXQZSV-UHFFFAOYSA-N 0 0 408.458 4.271 20 5 HIBDRN Cc1cc(N[C@H](CO)c2ccccc2OC(F)(F)F)c2cccc([N+](=O)[O-])c2n1 ZINC000480836096 896210649 /nfs/dbraw/zinc/21/06/49/896210649.db2.gz GLMIURSDCJEEMT-OAHLLOKOSA-N 0 0 407.348 4.496 20 5 HIBDRN COc1ccc([C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cc1 ZINC000505388765 914053904 /nfs/dbraw/zinc/05/39/04/914053904.db2.gz RRKJVCZFMBQOBC-INIZCTEOSA-N 0 0 402.756 4.219 20 5 HIBDRN CC1(c2cccc(Cl)c2)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000481052647 896375813 /nfs/dbraw/zinc/37/58/13/896375813.db2.gz QLETYUSUUNEXDQ-UHFFFAOYSA-N 0 0 414.936 4.271 20 5 HIBDRN Cc1cnc(N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000481062930 896383947 /nfs/dbraw/zinc/38/39/47/896383947.db2.gz VWDJSYMKRHPLES-GFCCVEGCSA-N 0 0 420.185 4.225 20 5 HIBDRN C[C@@H](Sc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000481104636 896429109 /nfs/dbraw/zinc/42/91/09/896429109.db2.gz HOMXNOYNWRTOAM-SSDOTTSWSA-N 0 0 402.341 4.466 20 5 HIBDRN O=C(N[C@H]1CCCc2c(O)cccc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000481165950 896499100 /nfs/dbraw/zinc/49/91/00/896499100.db2.gz DQUNVSNYOVYQQD-IBGZPJMESA-N 0 0 420.415 4.473 20 5 HIBDRN C[C@H](c1ccccc1)n1c(SCCn2ccc([N+](=O)[O-])n2)nnc1-c1ccccc1 ZINC000481271696 896619687 /nfs/dbraw/zinc/61/96/87/896619687.db2.gz DOLUZBVPRBGAKS-MRXNPFEDSA-N 0 0 420.498 4.451 20 5 HIBDRN CCn1c(SCc2ccn(-c3ccccc3)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481333913 896695499 /nfs/dbraw/zinc/69/54/99/896695499.db2.gz AUCLSUUTSXJUGN-UHFFFAOYSA-N 0 0 406.471 4.351 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3cccc(Cl)c3n2)cc1OC ZINC000505438271 914101954 /nfs/dbraw/zinc/10/19/54/914101954.db2.gz AECMBQIPFGTSCM-UHFFFAOYSA-N 0 0 401.806 4.456 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC2(CCOCC2)c2ccccc21 ZINC000481421214 896823979 /nfs/dbraw/zinc/82/39/79/896823979.db2.gz DPSPEPJOKIKPJP-UHFFFAOYSA-N 0 0 416.861 4.112 20 5 HIBDRN Cn1c2ccccc2nc1[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000481424629 896826800 /nfs/dbraw/zinc/82/68/00/896826800.db2.gz YJFDOFWKYKVLNI-QFIPXVFZSA-N 0 0 402.454 4.240 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC2(CCOCC2)c2ccccc21 ZINC000481442184 896840475 /nfs/dbraw/zinc/84/04/75/896840475.db2.gz IFJKBMTVTPRUBZ-UHFFFAOYSA-N 0 0 417.259 4.066 20 5 HIBDRN Cc1c(CNC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)cccc1[N+](=O)[O-] ZINC000481478255 896864274 /nfs/dbraw/zinc/86/42/74/896864274.db2.gz YTETWROETSHBKW-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN Cc1c(CNC(=O)c2cc(Br)cc3cccnc32)cccc1[N+](=O)[O-] ZINC000481500995 896874652 /nfs/dbraw/zinc/87/46/52/896874652.db2.gz HSJLJRSUVLMPCJ-UHFFFAOYSA-N 0 0 400.232 4.144 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C)O[C@H](C)C2 ZINC000481502655 896875356 /nfs/dbraw/zinc/87/53/56/896875356.db2.gz QIUFYYDIFSZWIP-FMEYXAORSA-N 0 0 410.470 4.045 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000481536583 896896903 /nfs/dbraw/zinc/89/69/03/896896903.db2.gz DRWGPICPEIYSQX-UHFFFAOYSA-N 0 0 419.850 4.097 20 5 HIBDRN Cc1c(NC(=O)CCN2CCO[C@@H](c3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000481580621 896961296 /nfs/dbraw/zinc/96/12/96/896961296.db2.gz SWULIJDJNITKMT-LJQANCHMSA-N 0 0 421.856 4.098 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000481583281 896962742 /nfs/dbraw/zinc/96/27/42/896962742.db2.gz GNQVMRYKRWQTGM-HNNXBMFYSA-N 0 0 423.256 4.137 20 5 HIBDRN Cc1nc(-c2ccc([C@H](C)NC(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)cc2)cs1 ZINC000481638729 897022573 /nfs/dbraw/zinc/02/25/73/897022573.db2.gz IWBQXLFMICTHAW-NSHDSACASA-N 0 0 407.455 4.394 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc(CN2CCCCC2)cs1 ZINC000481643794 897028373 /nfs/dbraw/zinc/02/83/73/897028373.db2.gz VZDMCRRCQGTHSC-UHFFFAOYSA-N 0 0 423.926 4.055 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCCOc2c(F)cccc21 ZINC000481703673 897093823 /nfs/dbraw/zinc/09/38/23/897093823.db2.gz VKYCZSIRXVJFNV-ZDUSSCGKSA-N 0 0 411.336 4.371 20 5 HIBDRN COc1cc(OC[C@@H](O)COC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000481707536 897096866 /nfs/dbraw/zinc/09/68/66/897096866.db2.gz SUSIBKRLTNZZCF-LJQANCHMSA-N 0 0 409.438 4.149 20 5 HIBDRN Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000481736571 897131647 /nfs/dbraw/zinc/13/16/47/897131647.db2.gz CMSNCYJOKFTAPO-SFHVURJKSA-N 0 0 408.483 4.287 20 5 HIBDRN CCN(CCc1cccs1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000481783212 897165396 /nfs/dbraw/zinc/16/53/96/897165396.db2.gz ZSGILRJGDRFTMC-UHFFFAOYSA-N 0 0 402.394 4.302 20 5 HIBDRN O=C(NCc1ccc(Br)cc1C(F)(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000481798156 897175930 /nfs/dbraw/zinc/17/59/30/897175930.db2.gz DRONDUDBXXMZEL-UHFFFAOYSA-N 0 0 421.144 4.445 20 5 HIBDRN Cc1onc(-c2ccccn2)c1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481805148 897182449 /nfs/dbraw/zinc/18/24/49/897182449.db2.gz AEUQRZAXOTVXFM-UHFFFAOYSA-N 0 0 407.411 4.329 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000481808176 897183738 /nfs/dbraw/zinc/18/37/38/897183738.db2.gz MNKFLVWYTQZODA-QGZVFWFLSA-N 0 0 405.241 4.155 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000481808175 897183952 /nfs/dbraw/zinc/18/39/52/897183952.db2.gz MNKFLVWYTQZODA-KRWDZBQOSA-N 0 0 405.241 4.155 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 ZINC000481844729 897210028 /nfs/dbraw/zinc/21/00/28/897210028.db2.gz WYFSYWMOYQZQOE-UHFFFAOYSA-N 0 0 412.862 4.381 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCO[C@@H](c2ccccc2)C1 ZINC000481880041 897252180 /nfs/dbraw/zinc/25/21/80/897252180.db2.gz SFDVLFWADBFZKH-HSZRJFAPSA-N 0 0 417.465 4.421 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000481882679 897255995 /nfs/dbraw/zinc/25/59/95/897255995.db2.gz MBVZYJKWNUWUQW-UHFFFAOYSA-N 0 0 405.439 4.371 20 5 HIBDRN CCS(=O)(=O)c1c(Cl)cccc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000481904468 897284187 /nfs/dbraw/zinc/28/41/87/897284187.db2.gz KWKOOHQKYITEII-UHFFFAOYSA-N 0 0 410.923 4.452 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3ccccc3)s2)cc1SC ZINC000481954828 897344355 /nfs/dbraw/zinc/34/43/55/897344355.db2.gz YTOFRXYTMYFUJB-UHFFFAOYSA-N 0 0 402.457 4.096 20 5 HIBDRN CSc1ccc(C(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)cc1[N+](=O)[O-] ZINC000505474521 914151087 /nfs/dbraw/zinc/15/10/87/914151087.db2.gz QNSXMWKZJUEILV-CYBMUJFWSA-N 0 0 421.469 4.114 20 5 HIBDRN COc1ccc(C(=O)Nc2cccc(OCCNc3nc(C)ccc3[N+](=O)[O-])c2)cc1 ZINC000481977524 897370186 /nfs/dbraw/zinc/37/01/86/897370186.db2.gz DXZRYBYJHZMBHH-UHFFFAOYSA-N 0 0 422.441 4.050 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1SC ZINC000481993049 897387802 /nfs/dbraw/zinc/38/78/02/897387802.db2.gz QEOCMZAMWDVNSA-UHFFFAOYSA-N 0 0 424.482 4.252 20 5 HIBDRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000481998261 897395232 /nfs/dbraw/zinc/39/52/32/897395232.db2.gz COZQXLFNNANDFJ-PBHICJAKSA-N 0 0 402.416 4.344 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000482001700 897397840 /nfs/dbraw/zinc/39/78/40/897397840.db2.gz YUYJJRLCCQLEKB-NRFANRHFSA-N 0 0 421.478 4.183 20 5 HIBDRN O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000482033977 897447205 /nfs/dbraw/zinc/44/72/05/897447205.db2.gz APYCVMKRKUEEIB-OAQYLSRUSA-N 0 0 414.421 4.186 20 5 HIBDRN CC1(C)CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000482036138 897450925 /nfs/dbraw/zinc/45/09/25/897450925.db2.gz BJPVOSKCXWDOPF-CQSZACIVSA-N 0 0 408.804 4.454 20 5 HIBDRN COc1cc(Cl)c(Cl)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000482036938 897453140 /nfs/dbraw/zinc/45/31/40/897453140.db2.gz WCNPOILCMPTCBF-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN CCc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CCO2)cc1 ZINC000482045791 897467453 /nfs/dbraw/zinc/46/74/53/897467453.db2.gz SGKFTVRGQUZWNL-GOSISDBHSA-N 0 0 419.275 4.133 20 5 HIBDRN COc1cccc([C@@H]2[C@H](NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCN2C2CC2)c1 ZINC000482084435 897524010 /nfs/dbraw/zinc/52/40/10/897524010.db2.gz OZRBFRQJOILIFI-DENIHFKCSA-N 0 0 421.453 4.057 20 5 HIBDRN COc1cccc([C@@H]2[C@@H](NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCN2C2CC2)c1 ZINC000482084437 897524873 /nfs/dbraw/zinc/52/48/73/897524873.db2.gz OZRBFRQJOILIFI-SIKLNZKXSA-N 0 0 421.453 4.057 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000482095428 897540945 /nfs/dbraw/zinc/54/09/45/897540945.db2.gz PCSNEJNIJQMYKG-DEOSSOPVSA-N 0 0 416.481 4.291 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000482097994 897543540 /nfs/dbraw/zinc/54/35/40/897543540.db2.gz VEBZAKXGHUCQHC-UHFFFAOYSA-N 0 0 400.312 4.495 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC(F)(F)C(F)F)cc1 ZINC000482123586 897579394 /nfs/dbraw/zinc/57/93/94/897579394.db2.gz PJXJQTDSCXXVKM-UHFFFAOYSA-N 0 0 402.300 4.026 20 5 HIBDRN Cc1ccc(F)c(OCC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1 ZINC000482148093 897610881 /nfs/dbraw/zinc/61/08/81/897610881.db2.gz YLTNPNVGVQDPCJ-UHFFFAOYSA-N 0 0 400.328 4.012 20 5 HIBDRN Cc1c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cnc2ccccc12 ZINC000482148867 897610916 /nfs/dbraw/zinc/61/09/16/897610916.db2.gz LREHAGUXYVQVJA-HXUWFJFHSA-N 0 0 421.453 4.264 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000505497468 914181399 /nfs/dbraw/zinc/18/13/99/914181399.db2.gz AGMGYPRXGQDPHD-NZQKXSOJSA-N 0 0 404.470 4.077 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000482225951 897704371 /nfs/dbraw/zinc/70/43/71/897704371.db2.gz NALFJLBFBGNBBL-UONOGXRCSA-N 0 0 420.453 4.322 20 5 HIBDRN O=C(N[C@@H]1CCCC[C@H]1O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000482236704 897718747 /nfs/dbraw/zinc/71/87/47/897718747.db2.gz BZUAVPSYVQCJCT-IAGOWNOFSA-N 0 0 406.891 4.433 20 5 HIBDRN O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000482346375 897857184 /nfs/dbraw/zinc/85/71/84/897857184.db2.gz NMWJNYOWJVIWPU-UHFFFAOYSA-N 0 0 415.437 4.204 20 5 HIBDRN COc1ccc([C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cc1 ZINC000482350948 897863562 /nfs/dbraw/zinc/86/35/62/897863562.db2.gz KXRJBHBSRNMNSN-HNNXBMFYSA-N 0 0 417.771 4.360 20 5 HIBDRN CCN(Cc1cccc(Br)c1)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000482405645 897947930 /nfs/dbraw/zinc/94/79/30/897947930.db2.gz CUNNJQJQJFFETR-UHFFFAOYSA-N 0 0 423.263 4.037 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000505522684 914214589 /nfs/dbraw/zinc/21/45/89/914214589.db2.gz WBMFXOHURYEGNT-UHFFFAOYSA-N 0 0 416.437 4.223 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4)cc2[N+](=O)[O-])C1 ZINC000482471067 898045684 /nfs/dbraw/zinc/04/56/84/898045684.db2.gz AGLLDMYNRTWWGI-GJZGRUSLSA-N 0 0 422.485 4.214 20 5 HIBDRN C[C@H](C(=O)OC(C)(C)C)c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000482548383 898138159 /nfs/dbraw/zinc/13/81/59/898138159.db2.gz BVMDMPJNUZIZFB-AWEZNQCLSA-N 0 0 405.454 4.031 20 5 HIBDRN COC(C)(C)c1noc(C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000482552578 898144071 /nfs/dbraw/zinc/14/40/71/898144071.db2.gz MUIUTBXDLQJFBM-UHFFFAOYSA-N 0 0 414.384 4.262 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000482558582 898150608 /nfs/dbraw/zinc/15/06/08/898150608.db2.gz UCTRXCLVGNGEPZ-UHFFFAOYSA-N 0 0 414.849 4.371 20 5 HIBDRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000482659611 898263104 /nfs/dbraw/zinc/26/31/04/898263104.db2.gz TYPMZWPMPDRFIZ-GFCCVEGCSA-N 0 0 424.270 4.269 20 5 HIBDRN CCc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnn1-c1ccccc1C ZINC000482677550 898279165 /nfs/dbraw/zinc/27/91/65/898279165.db2.gz AYZSDHFGMAZCAW-UHFFFAOYSA-N 0 0 416.441 4.089 20 5 HIBDRN C[C@H](Nc1ccc(-c2nc(Cc3cncs3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000482726898 898328053 /nfs/dbraw/zinc/32/80/53/898328053.db2.gz FHZBYCCSCFPGMT-LBPRGKRZSA-N 0 0 408.443 4.260 20 5 HIBDRN CCc1c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cnn1-c1ccccc1Cl ZINC000482728360 898330498 /nfs/dbraw/zinc/33/04/98/898330498.db2.gz MUWUEJOQAHORMC-UHFFFAOYSA-N 0 0 413.865 4.071 20 5 HIBDRN CCCOc1cc(NC(=O)N[C@H]2CCCc3c[nH]nc32)c([N+](=O)[O-])cc1OCCC ZINC000482743353 898347424 /nfs/dbraw/zinc/34/74/24/898347424.db2.gz CRGOKMGHNHBZPZ-AWEZNQCLSA-N 0 0 417.466 4.095 20 5 HIBDRN CC[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccccc1F ZINC000482763670 898371361 /nfs/dbraw/zinc/37/13/61/898371361.db2.gz 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CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1OC ZINC000485062945 900388833 /nfs/dbraw/zinc/38/88/33/900388833.db2.gz QVGRDTBULJJMDC-OLZOCXBDSA-N 0 0 404.385 4.195 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000485082410 900398161 /nfs/dbraw/zinc/39/81/61/900398161.db2.gz WEEYIIIKVBOFDG-GFCCVEGCSA-N 0 0 414.817 4.259 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)o2)cs1 ZINC000485095132 900406560 /nfs/dbraw/zinc/40/65/60/900406560.db2.gz JOBFZLGAZNPVAY-UHFFFAOYSA-N 0 0 409.370 4.151 20 5 HIBDRN CN(CCOc1ccccc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485097920 900407747 /nfs/dbraw/zinc/40/77/47/900407747.db2.gz SFSBATYPBJAMSI-UHFFFAOYSA-N 0 0 400.765 4.001 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3n[nH]c(C=Cc4ccccc4)n3)o2)cc1 ZINC000485104468 900412605 /nfs/dbraw/zinc/41/26/05/900412605.db2.gz UYMJSKAXFUVUHH-WDZFZDKYSA-N 0 0 406.427 4.226 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]c(-c2cc3ccccc3o2)n1 ZINC000485133522 900434541 /nfs/dbraw/zinc/43/45/41/900434541.db2.gz NAXBKSMEPBXBQO-NSHDSACASA-N 0 0 409.427 4.245 20 5 HIBDRN COC(=O)c1c(F)ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1F ZINC000485141760 900441279 /nfs/dbraw/zinc/44/12/79/900441279.db2.gz BWHQWNAPXCUECA-UHFFFAOYSA-N 0 0 419.365 4.035 20 5 HIBDRN Cc1cc(C)n(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)c2)n1 ZINC000485146670 900447690 /nfs/dbraw/zinc/44/76/90/900447690.db2.gz OUFTYRKXPOJRFP-UHFFFAOYSA-N 0 0 402.357 4.251 20 5 HIBDRN CCOc1cc(Br)c(F)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000485159832 900458992 /nfs/dbraw/zinc/45/89/92/900458992.db2.gz OAZVJBKKPPTIGC-UHFFFAOYSA-N 0 0 415.190 4.215 20 5 HIBDRN CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000485163200 900461945 /nfs/dbraw/zinc/46/19/45/900461945.db2.gz FHMJNQLPEMDNGM-UHFFFAOYSA-N 0 0 419.684 4.226 20 5 HIBDRN CC(C)(C)Oc1cc(NC2CCN(C(=O)CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000485166230 900464706 /nfs/dbraw/zinc/46/47/06/900464706.db2.gz QHPNJJDUDCBXCE-UHFFFAOYSA-N 0 0 403.401 4.127 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N1CCC2(CC1)OCCc1ccsc12 ZINC000485169508 900467264 /nfs/dbraw/zinc/46/72/64/900467264.db2.gz STHAALFDPBAOMY-UHFFFAOYSA-N 0 0 409.305 4.487 20 5 HIBDRN COCCCCc1cccnc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000485203850 900495542 /nfs/dbraw/zinc/49/55/42/900495542.db2.gz HETIXXICIKVLSG-UHFFFAOYSA-N 0 0 409.895 4.343 20 5 HIBDRN COC(=O)c1cc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1F ZINC000485304588 900583289 /nfs/dbraw/zinc/58/32/89/900583289.db2.gz ZFVBUUIRCKWNDM-UHFFFAOYSA-N 0 0 416.192 4.149 20 5 HIBDRN CCOC(=O)c1ccnc(Oc2ccc(C(=O)Nc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000485325311 900608060 /nfs/dbraw/zinc/60/80/60/900608060.db2.gz XYLFESHAKLDJTJ-UHFFFAOYSA-N 0 0 407.382 4.211 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CSc1nc2cc3ccccc3cc2c(=O)n1C ZINC000485344223 900635303 /nfs/dbraw/zinc/63/53/03/900635303.db2.gz AGJRCTZWLGEIHD-UHFFFAOYSA-N 0 0 407.451 4.296 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000485379382 900675896 /nfs/dbraw/zinc/67/58/96/900675896.db2.gz LDTKKIAEEHHFLZ-INIZCTEOSA-N 0 0 410.348 4.147 20 5 HIBDRN O=C(C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485391655 900686891 /nfs/dbraw/zinc/68/68/91/900686891.db2.gz CGPHLSVVRUANDE-UHFFFAOYSA-N 0 0 412.465 4.025 20 5 HIBDRN COc1cc(OC)c(OC)cc1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485393429 900690824 /nfs/dbraw/zinc/69/08/24/900690824.db2.gz NQLHUWRPWGNCEY-UHFFFAOYSA-N 0 0 413.405 4.434 20 5 HIBDRN C[C@@H](c1cccnc1)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485395895 900692104 /nfs/dbraw/zinc/69/21/04/900692104.db2.gz RDPVWJIFIGMBCJ-INIZCTEOSA-N 0 0 407.449 4.074 20 5 HIBDRN C[C@H](c1cccnc1)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485395896 900692376 /nfs/dbraw/zinc/69/23/76/900692376.db2.gz RDPVWJIFIGMBCJ-MRXNPFEDSA-N 0 0 407.449 4.074 20 5 HIBDRN COCCn1cc2c(n1)[C@H](Nc1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CCC2 ZINC000485405309 900703440 /nfs/dbraw/zinc/70/34/40/900703440.db2.gz KQKFLMWEDSLTND-QGZVFWFLSA-N 0 0 411.437 4.128 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485408929 900706710 /nfs/dbraw/zinc/70/67/10/900706710.db2.gz PIUDDRCRQCCOMS-RTWAWAEBSA-N 0 0 413.449 4.328 20 5 HIBDRN CCCCCNC(=O)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485409494 900707664 /nfs/dbraw/zinc/70/76/64/900707664.db2.gz GFSOBGDFYSAMAU-UHFFFAOYSA-N 0 0 414.481 4.319 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000485426549 900724898 /nfs/dbraw/zinc/72/48/98/900724898.db2.gz FIXGOYBAEZWUJQ-CYBMUJFWSA-N 0 0 424.906 4.184 20 5 HIBDRN C[C@@H](c1ccccc1)N(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1CCCC1 ZINC000485470779 900764621 /nfs/dbraw/zinc/76/46/21/900764621.db2.gz RVJPKYPMYLHPJW-HNNXBMFYSA-N 0 0 416.499 4.144 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1cccnc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000485480835 900773824 /nfs/dbraw/zinc/77/38/24/900773824.db2.gz OFPFQXHWROBWQY-QHCPKHFHSA-N 0 0 416.481 4.112 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000485553814 900828218 /nfs/dbraw/zinc/82/82/18/900828218.db2.gz AKSITLYEHZHEIS-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000485620381 900876249 /nfs/dbraw/zinc/87/62/49/900876249.db2.gz MCDXMKMSJSXHAI-BXUZGUMPSA-N 0 0 416.783 4.478 20 5 HIBDRN Cn1cc(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485637199 900890496 /nfs/dbraw/zinc/89/04/96/900890496.db2.gz RWWMSBYVCYPLDY-KRWDZBQOSA-N 0 0 418.375 4.071 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000485677199 900927783 /nfs/dbraw/zinc/92/77/83/900927783.db2.gz DOMIPMBMCOSFQI-AWEZNQCLSA-N 0 0 422.268 4.135 20 5 HIBDRN CC1(C)[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000485678551 900931247 /nfs/dbraw/zinc/93/12/47/900931247.db2.gz LAUQVWNIXRLRDB-WMQCIHAUSA-N 0 0 410.470 4.107 20 5 HIBDRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485684833 900935268 /nfs/dbraw/zinc/93/52/68/900935268.db2.gz NCUBLJUMRKNZJP-SSDOTTSWSA-N 0 0 401.204 4.222 20 5 HIBDRN Cc1c(Br)cccc1CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000485692817 900943769 /nfs/dbraw/zinc/94/37/69/900943769.db2.gz GMRDXJXSKLAQMR-UHFFFAOYSA-N 0 0 400.232 4.395 20 5 HIBDRN COc1cc(OC)cc(N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000485703886 900953783 /nfs/dbraw/zinc/95/37/83/900953783.db2.gz VDCBXQGUCALAAK-UHFFFAOYSA-N 0 0 422.437 4.468 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1nc2cccnc2s1 ZINC000485728613 900979901 /nfs/dbraw/zinc/97/99/01/900979901.db2.gz AFUFXRCZZOTYNF-UHFFFAOYSA-N 0 0 404.407 4.083 20 5 HIBDRN CN(C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000485740832 900995372 /nfs/dbraw/zinc/99/53/72/900995372.db2.gz YKSAVHUELTYADK-KDOFPFPSSA-N 0 0 422.268 4.084 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000485742098 900996150 /nfs/dbraw/zinc/99/61/50/900996150.db2.gz HLIKHWHAASFVEI-GASCZTMLSA-N 0 0 415.515 4.178 20 5 HIBDRN COCc1cccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000485768444 901024467 /nfs/dbraw/zinc/02/44/67/901024467.db2.gz SSVFHNHOKDFALV-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCO[C@@H](C2CC2)C1 ZINC000485809429 901059780 /nfs/dbraw/zinc/05/97/80/901059780.db2.gz BYRWCNADXMPQFA-WOJBJXKFSA-N 0 0 415.877 4.039 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000485823690 901070739 /nfs/dbraw/zinc/07/07/39/901070739.db2.gz JNPCGYDDKWOREW-MRXNPFEDSA-N 0 0 401.894 4.466 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1C ZINC000485846389 901090053 /nfs/dbraw/zinc/09/00/53/901090053.db2.gz HYWOLNGNPDZKPE-UHFFFAOYSA-N 0 0 400.822 4.068 20 5 HIBDRN CCCN1CCN(C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])c2ccc(F)cc21 ZINC000485855932 901098805 /nfs/dbraw/zinc/09/88/05/901098805.db2.gz PURRHZCSWRURFB-UHFFFAOYSA-N 0 0 417.437 4.018 20 5 HIBDRN CSc1cccc(C(=O)N2CCc3cc(Br)cc(F)c32)c1[N+](=O)[O-] ZINC000485857901 901100089 /nfs/dbraw/zinc/10/00/89/901100089.db2.gz VTLILGCLDXZBIE-UHFFFAOYSA-N 0 0 411.252 4.421 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c1C ZINC000485860977 901103742 /nfs/dbraw/zinc/10/37/42/901103742.db2.gz WDRNUXGRMMWBQR-UHFFFAOYSA-N 0 0 402.813 4.371 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000485876626 901112701 /nfs/dbraw/zinc/11/27/01/901112701.db2.gz UOOQAWHTDNLWPC-IBGZPJMESA-N 0 0 417.531 4.275 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(c2c(F)cccc2F)CC1 ZINC000485906066 901135606 /nfs/dbraw/zinc/13/56/06/901135606.db2.gz MGUOHKOBFWXRGF-ZDUSSCGKSA-N 0 0 419.428 4.088 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(OC)c(-c3ccccn3)c2)c(C)c([N+](=O)[O-])c1 ZINC000485950463 901170605 /nfs/dbraw/zinc/17/06/05/901170605.db2.gz FZEITEDCJLBOMP-UHFFFAOYSA-N 0 0 421.409 4.013 20 5 HIBDRN CCOc1cccc(N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000485968154 901184419 /nfs/dbraw/zinc/18/44/19/901184419.db2.gz VGPOXADDZKHKAV-MRXNPFEDSA-N 0 0 412.490 4.423 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(OC)c(C(C)C)c(OC)c2)c(C)c([N+](=O)[O-])c1 ZINC000485979039 901196460 /nfs/dbraw/zinc/19/64/60/901196460.db2.gz YCSLTCWWJXCOLH-UHFFFAOYSA-N 0 0 416.430 4.083 20 5 HIBDRN COC(=O)c1cc(NC(=O)COc2cc(Cl)ccc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000485988602 901206892 /nfs/dbraw/zinc/20/68/92/901206892.db2.gz YYODTWMHZRYJTP-UHFFFAOYSA-N 0 0 413.213 4.014 20 5 HIBDRN O=C(Nc1cccc(Br)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000485993699 901211934 /nfs/dbraw/zinc/21/19/34/901211934.db2.gz WNEGQMASKDCJQE-UHFFFAOYSA-N 0 0 420.263 4.433 20 5 HIBDRN O=[N+]([O-])c1ccn(C2CCN(c3ncnc4sc(-c5ccccc5)cc43)CC2)n1 ZINC000485995752 901212454 /nfs/dbraw/zinc/21/24/54/901212454.db2.gz IZGCWSROSBTBBW-UHFFFAOYSA-N 0 0 406.471 4.305 20 5 HIBDRN Cn1c(=O)ccc2ccc(Nc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)cc21 ZINC000486004503 901218636 /nfs/dbraw/zinc/21/86/36/901218636.db2.gz LJCHTISXCCPGHO-UHFFFAOYSA-N 0 0 402.410 4.164 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000486018319 901225713 /nfs/dbraw/zinc/22/57/13/901225713.db2.gz PGMWOSRDWAXAJW-UHFFFAOYSA-N 0 0 416.821 4.094 20 5 HIBDRN COC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000486037700 901240099 /nfs/dbraw/zinc/24/00/99/901240099.db2.gz NFISTKYSOCUBTD-GOSISDBHSA-N 0 0 403.866 4.284 20 5 HIBDRN COc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Br ZINC000486071064 901264038 /nfs/dbraw/zinc/26/40/38/901264038.db2.gz QJRRHUGVMYRYCH-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486079519 901270142 /nfs/dbraw/zinc/27/01/42/901270142.db2.gz XKXUQMPIBOQTQU-UHFFFAOYSA-N 0 0 423.450 4.252 20 5 HIBDRN COc1cc(C)cc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000486086070 901275344 /nfs/dbraw/zinc/27/53/44/901275344.db2.gz BOOWEXZSWOOAGN-UHFFFAOYSA-N 0 0 406.438 4.421 20 5 HIBDRN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486088215 901277405 /nfs/dbraw/zinc/27/74/05/901277405.db2.gz ICXGYEZUMGLBKG-GOSISDBHSA-N 0 0 410.470 4.395 20 5 HIBDRN CCc1cccc2c1OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000486108588 901294889 /nfs/dbraw/zinc/29/48/89/901294889.db2.gz UQWMDVVCDCRINJ-GOSISDBHSA-N 0 0 416.499 4.149 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486118586 901304802 /nfs/dbraw/zinc/30/48/02/901304802.db2.gz TYUPHSDGPJBCQS-YPMHNXCESA-N 0 0 411.277 4.069 20 5 HIBDRN CSc1cccc(-c2nc(-c3ccc(-n4nc(C)cc4C)nc3)no2)c1[N+](=O)[O-] ZINC000486122035 901309484 /nfs/dbraw/zinc/30/94/84/901309484.db2.gz NRYDLGRTUUXNKF-UHFFFAOYSA-N 0 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CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)[nH]1 ZINC000489227160 903274973 /nfs/dbraw/zinc/27/49/73/903274973.db2.gz XHRYUVXPOKDNMD-OLZOCXBDSA-N 0 0 405.524 4.466 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000489249184 903286271 /nfs/dbraw/zinc/28/62/71/903286271.db2.gz GAYMXADZVBYVPF-AUUYWEPGSA-N 0 0 410.561 4.127 20 5 HIBDRN O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000489281657 903305432 /nfs/dbraw/zinc/30/54/32/903305432.db2.gz SONBKBHBMHSOHB-GYCJOSAFSA-N 0 0 416.452 4.328 20 5 HIBDRN Cc1cc(NC[C@@H]2CCCO[C@H]2c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489287519 903309845 /nfs/dbraw/zinc/30/98/45/903309845.db2.gz KZUBKHXGPJKXSW-UGKGYDQZSA-N 0 0 404.470 4.362 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489303532 903320402 /nfs/dbraw/zinc/32/04/02/903320402.db2.gz DEQIHSJYVRWHDH-UHFFFAOYSA-N 0 0 418.711 4.170 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000489344752 903339046 /nfs/dbraw/zinc/33/90/46/903339046.db2.gz ZELMZSADARJRSH-PNHOKKKMSA-N 0 0 401.438 4.323 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000489374522 903352080 /nfs/dbraw/zinc/35/20/80/903352080.db2.gz TXMVJILSWYBINE-QGZVFWFLSA-N 0 0 424.501 4.090 20 5 HIBDRN Cc1ccccc1[C@@H](OC[C@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccccc1 ZINC000489378919 903352754 /nfs/dbraw/zinc/35/27/54/903352754.db2.gz KHFOGNHCTFFXGI-XXBNENTESA-N 0 0 407.470 4.144 20 5 HIBDRN CC(C)(C)c1csc(C2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)CC2)n1 ZINC000489380136 903354451 /nfs/dbraw/zinc/35/44/51/903354451.db2.gz OUDNXJRQPWYUDZ-UHFFFAOYSA-N 0 0 417.487 4.097 20 5 HIBDRN CCn1c(S[C@@H](C(=O)NC2CCCC2)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489408263 903371448 /nfs/dbraw/zinc/37/14/48/903371448.db2.gz RCVFUZLGORHHAM-QGZVFWFLSA-N 0 0 417.535 4.049 20 5 HIBDRN C[C@@H](CN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO)c1ccccc1 ZINC000489430792 903380460 /nfs/dbraw/zinc/38/04/60/903380460.db2.gz DLUZCULNSMSCDS-YESZJQIVSA-N 0 0 402.516 4.089 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CC(C)(C)OC[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000489515840 903431480 /nfs/dbraw/zinc/43/14/80/903431480.db2.gz BVBPJRTYKDOGPF-LBPRGKRZSA-N 0 0 407.517 4.150 20 5 HIBDRN O=C(Nc1nc2ccccc2n1C1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000489534883 903444932 /nfs/dbraw/zinc/44/49/32/903444932.db2.gz FHENQUQREWRODX-UHFFFAOYSA-N 0 0 416.441 4.498 20 5 HIBDRN CN1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489534880 903445195 /nfs/dbraw/zinc/44/51/95/903445195.db2.gz FENWKTJYXYUIIH-MJGOQNOKSA-N 0 0 419.884 4.227 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000489549654 903458713 /nfs/dbraw/zinc/45/87/13/903458713.db2.gz OOVLVUBQWFDBEO-BLLLJJGKSA-N 0 0 424.881 4.412 20 5 HIBDRN O=C(NCc1ccc(OC(F)(F)F)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000489566021 903467872 /nfs/dbraw/zinc/46/78/72/903467872.db2.gz PZTPDAYQHBOFEN-UHFFFAOYSA-N 0 0 409.364 4.368 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cc(-c2cccc(Cl)c2)on1 ZINC000489570997 903469247 /nfs/dbraw/zinc/46/92/47/903469247.db2.gz FELNTCCQMRHOGS-UHFFFAOYSA-N 0 0 412.793 4.101 20 5 HIBDRN CC(C)Oc1ccc(Br)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489616680 903499729 /nfs/dbraw/zinc/49/97/29/903499729.db2.gz ASFMCLKNLUXAOU-UHFFFAOYSA-N 0 0 423.219 4.126 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cnn(Cc2ccccc2)c1 ZINC000489632160 903508199 /nfs/dbraw/zinc/50/81/99/903508199.db2.gz FSFRBJCZFLKFNP-ZDUSSCGKSA-N 0 0 418.375 4.349 20 5 HIBDRN Cn1cc(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489631135 903508429 /nfs/dbraw/zinc/50/84/29/903508429.db2.gz HJPAWCBPNIASGN-RTBURBONSA-N 0 0 404.470 4.452 20 5 HIBDRN COC(=O)c1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)c(C)c([N+](=O)[O-])c1 ZINC000489751234 903578038 /nfs/dbraw/zinc/57/80/38/903578038.db2.gz HEXAZPDRMQOJEN-UHFFFAOYSA-N 0 0 422.359 4.379 20 5 HIBDRN Cc1nc2[nH]c(SCc3nc4cc([N+](=O)[O-])ccc4o3)nc2cc1Br ZINC000489809432 903606982 /nfs/dbraw/zinc/60/69/82/903606982.db2.gz PDXFLFIDEMNPQZ-UHFFFAOYSA-N 0 0 420.248 4.371 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CSc3ncnc4c3cnn4Cc3ccccc3)nc2c1 ZINC000489844779 903627338 /nfs/dbraw/zinc/62/73/38/903627338.db2.gz VMLCLCHXZQTYFQ-UHFFFAOYSA-N 0 0 418.438 4.216 20 5 HIBDRN CCc1nnc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)c2)o1 ZINC000489879687 903647479 /nfs/dbraw/zinc/64/74/79/903647479.db2.gz BSUVSDVSCUILPS-UHFFFAOYSA-N 0 0 404.329 4.061 20 5 HIBDRN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000506044391 914736711 /nfs/dbraw/zinc/73/67/11/914736711.db2.gz QINVSAPLLFHLRG-HXUWFJFHSA-N 0 0 424.501 4.041 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000489902953 903663348 /nfs/dbraw/zinc/66/33/48/903663348.db2.gz XUKFLUBWBUQQEG-UHFFFAOYSA-N 0 0 402.398 4.354 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000489966115 903701923 /nfs/dbraw/zinc/70/19/23/903701923.db2.gz NTYZZHOGLJHRBV-ZWKOTPCHSA-N 0 0 421.501 4.393 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000489981668 903710936 /nfs/dbraw/zinc/71/09/36/903710936.db2.gz MZOHHDMCFZSRSU-UHFFFAOYSA-N 0 0 410.455 4.043 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490042806 903738449 /nfs/dbraw/zinc/73/84/49/903738449.db2.gz ASXHNWHVLNFDRD-UHFFFAOYSA-N 0 0 419.485 4.000 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C2CC2)c1 ZINC000490051311 903743566 /nfs/dbraw/zinc/74/35/66/903743566.db2.gz BNAMUOJZNDZELX-UHFFFAOYSA-N 0 0 404.348 4.227 20 5 HIBDRN COC[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000490057177 903747938 /nfs/dbraw/zinc/74/79/38/903747938.db2.gz HTRUJUBOBBFUQQ-QGZVFWFLSA-N 0 0 412.273 4.160 20 5 HIBDRN Cc1ccc(NC(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Br)c1 ZINC000490062061 903751563 /nfs/dbraw/zinc/75/15/63/903751563.db2.gz YYQDHQNFXZBRRO-UHFFFAOYSA-N 0 0 418.291 4.269 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)CCSc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000490082195 903763714 /nfs/dbraw/zinc/76/37/14/903763714.db2.gz BFGJCCSUIDDZNG-AWEZNQCLSA-N 0 0 402.472 4.034 20 5 HIBDRN Cc1c(NC(=O)CCN[C@@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000490085826 903764854 /nfs/dbraw/zinc/76/48/54/903764854.db2.gz HTMYLZGRBWCYSE-JTQLQIEISA-N 0 0 402.398 4.058 20 5 HIBDRN Cc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCCCC1 ZINC000490158303 903800198 /nfs/dbraw/zinc/80/01/98/903800198.db2.gz LNESAOFNAVRPQY-UHFFFAOYSA-N 0 0 410.474 4.159 20 5 HIBDRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000490160689 903802729 /nfs/dbraw/zinc/80/27/29/903802729.db2.gz DBTFMDKIWCMENF-UHFFFAOYSA-N 0 0 405.838 4.394 20 5 HIBDRN C[C@@H]1CN(c2ccc(CN[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cn2)CCO1 ZINC000490172234 903809377 /nfs/dbraw/zinc/80/93/77/903809377.db2.gz MEOWRFFYFUMVQP-KOSHJBKYSA-N 0 0 418.497 4.094 20 5 HIBDRN Cc1ccc(C(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000490196746 903822188 /nfs/dbraw/zinc/82/21/88/903822188.db2.gz LJHURUPTFQLBMU-AZUAARDMSA-N 0 0 403.429 4.135 20 5 HIBDRN O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000490200386 903824288 /nfs/dbraw/zinc/82/42/88/903824288.db2.gz HJNCECSYLHHBPJ-SJORKVTESA-N 0 0 400.500 4.135 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])NC1(c2cccc(Br)c2)CCC1 ZINC000490236974 903845201 /nfs/dbraw/zinc/84/52/01/903845201.db2.gz GOSRZYZHEFILGM-UHFFFAOYSA-N 0 0 419.275 4.322 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490252057 903855314 /nfs/dbraw/zinc/85/53/14/903855314.db2.gz UHCCBLRKYHFJMA-VQTJNVASSA-N 0 0 403.429 4.135 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2cc([C@@H]3C[C@H]3C)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000490264418 903863230 /nfs/dbraw/zinc/86/32/30/903863230.db2.gz XCWDHOLBJNBOBJ-VNHYZAJKSA-N 0 0 406.446 4.262 20 5 HIBDRN Cn1cc(C(=O)Nc2cc(F)c(OC(F)F)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000490279054 903871600 /nfs/dbraw/zinc/87/16/00/903871600.db2.gz ZIFJNIHCZZXISE-UHFFFAOYSA-N 0 0 424.310 4.127 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000490290769 903880276 /nfs/dbraw/zinc/88/02/76/903880276.db2.gz SYMAADPMXDKYNF-STUBTGCMSA-N 0 0 420.834 4.269 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(CC(F)F)c1ccc(F)cc1 ZINC000490349130 903943000 /nfs/dbraw/zinc/94/30/00/903943000.db2.gz WTEDZJODXWYFSN-UHFFFAOYSA-N 0 0 407.392 4.249 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000490361664 903953724 /nfs/dbraw/zinc/95/37/24/903953724.db2.gz FFVQIQQGESBOQO-KGLIPLIRSA-N 0 0 417.347 4.141 20 5 HIBDRN CC(C)(c1nc(-c2cccc([N+](=O)[O-])c2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000490364898 903958144 /nfs/dbraw/zinc/95/81/44/903958144.db2.gz IWCGQPWISCWOSR-UHFFFAOYSA-N 0 0 407.835 4.007 20 5 HIBDRN Cc1ccccc1-c1nc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC000490368056 903960917 /nfs/dbraw/zinc/96/09/17/903960917.db2.gz NFPOWTIGQXSKMA-UHFFFAOYSA-N 0 0 406.427 4.064 20 5 HIBDRN CN(CCC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000490404268 903989358 /nfs/dbraw/zinc/98/93/58/903989358.db2.gz XKKZQGJSISJOMJ-UHFFFAOYSA-N 0 0 413.474 4.011 20 5 HIBDRN Cc1csc(-c2cccc(S(=O)(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])c2)n1 ZINC000490454787 904020892 /nfs/dbraw/zinc/02/08/92/904020892.db2.gz ROSDIXXKYPCOFS-UHFFFAOYSA-N 0 0 417.512 4.240 20 5 HIBDRN CC(C)(NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000490456946 904021459 /nfs/dbraw/zinc/02/14/59/904021459.db2.gz GPXDVSGNPPBZSK-UHFFFAOYSA-N 0 0 407.250 4.254 20 5 HIBDRN NC(=O)c1ccc(SCC(=O)Nc2cccc(Nc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000490558650 904098315 /nfs/dbraw/zinc/09/83/15/904098315.db2.gz AHCFENYTKFRLTI-UHFFFAOYSA-N 0 0 422.466 4.168 20 5 HIBDRN COCCOc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1Cl ZINC000490770828 904222042 /nfs/dbraw/zinc/22/20/42/904222042.db2.gz RGKKYVGCYJVULT-UHFFFAOYSA-N 0 0 405.838 4.100 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000490824279 904269600 /nfs/dbraw/zinc/26/96/00/904269600.db2.gz UGGAEPWTSZNAIO-HSZRJFAPSA-N 0 0 423.513 4.322 20 5 HIBDRN COc1cc(OCC(=O)N2CCC[C@@]2(c2ccccc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000490920556 904317710 /nfs/dbraw/zinc/31/77/10/904317710.db2.gz UEHBWOKDZBXLQC-LJQANCHMSA-N 0 0 424.375 4.062 20 5 HIBDRN CCn1c2cc(F)ccc2nc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000490952211 904332877 /nfs/dbraw/zinc/33/28/77/904332877.db2.gz QSFCGIITWPHAFZ-UHFFFAOYSA-N 0 0 407.199 4.118 20 5 HIBDRN COc1cc(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000490990520 904354277 /nfs/dbraw/zinc/35/42/77/904354277.db2.gz STSXSLRWGLHMGQ-AWEZNQCLSA-N 0 0 412.364 4.078 20 5 HIBDRN C[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1nc(-c2ccccc2)no1 ZINC000490994273 904357962 /nfs/dbraw/zinc/35/79/62/904357962.db2.gz KVKVYUNZKVBSPF-HNNXBMFYSA-N 0 0 421.457 4.123 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@]1(c1ccccc1)C(F)(F)F ZINC000491001119 904360826 /nfs/dbraw/zinc/36/08/26/904360826.db2.gz JNDFBBKUKJUBDR-GOSISDBHSA-N 0 0 408.332 4.017 20 5 HIBDRN CC(C)(NC(=O)NCc1c(F)cccc1N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000491032824 904386196 /nfs/dbraw/zinc/38/61/96/904386196.db2.gz GJVUFKFOHALQRL-UHFFFAOYSA-N 0 0 400.454 4.069 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)cc([N+](=O)[O-])c1 ZINC000506106807 914806386 /nfs/dbraw/zinc/80/63/86/914806386.db2.gz PNBBYKPTVWZNCC-UHFFFAOYSA-N 0 0 411.439 4.456 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000491080681 904416490 /nfs/dbraw/zinc/41/64/90/904416490.db2.gz LPJIHNDMTIDAAV-QGZVFWFLSA-N 0 0 422.547 4.191 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)cc1[N+](=O)[O-] ZINC000491085711 904421253 /nfs/dbraw/zinc/42/12/53/904421253.db2.gz IUBOSWHMLCYHJB-UHFFFAOYSA-N 0 0 402.472 4.180 20 5 HIBDRN COc1cc(CN2C[C@@H](c3ccccc3)O[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491092938 904423655 /nfs/dbraw/zinc/42/36/55/904423655.db2.gz UQDNHHNVVDLQCV-XOBRGWDASA-N 0 0 422.428 4.209 20 5 HIBDRN O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491130076 904444133 /nfs/dbraw/zinc/44/41/33/904444133.db2.gz BCOZBHHLMIRPOG-UHFFFAOYSA-N 0 0 406.845 4.127 20 5 HIBDRN Cc1cc([C@@H]2CN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCO2)ccc1F ZINC000491175992 904468622 /nfs/dbraw/zinc/46/86/22/904468622.db2.gz YXXZIYOORZAUED-YJYMSZOUSA-N 0 0 421.856 4.096 20 5 HIBDRN Cc1cc([C@@H]2CN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CCO2)ccc1F ZINC000491196701 904479080 /nfs/dbraw/zinc/47/90/80/904479080.db2.gz RVVGQEOTZIRKGJ-KUHUBIRLSA-N 0 0 412.421 4.227 20 5 HIBDRN CC(C)(C)c1cnc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)o1 ZINC000491256226 904504622 /nfs/dbraw/zinc/50/46/22/904504622.db2.gz RRKZYFNSBZCFIH-UHFFFAOYSA-N 0 0 408.458 4.422 20 5 HIBDRN O=C(NCc1cc(Br)ccc1F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000506139175 914819931 /nfs/dbraw/zinc/81/99/31/914819931.db2.gz ZSPQLIBFKXONNO-UHFFFAOYSA-N 0 0 419.153 4.028 20 5 HIBDRN O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000491367537 904561653 /nfs/dbraw/zinc/56/16/53/904561653.db2.gz MSZHISWYNRELHF-UHFFFAOYSA-N 0 0 406.435 4.093 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1-n1cccn1 ZINC000491373842 904564357 /nfs/dbraw/zinc/56/43/57/904564357.db2.gz KFFZAQVCAWGYSS-MRXNPFEDSA-N 0 0 405.458 4.216 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NCCCOc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000506160825 914829404 /nfs/dbraw/zinc/82/94/04/914829404.db2.gz SDLDRBQIPOVKOV-KRWDZBQOSA-N 0 0 420.469 4.362 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC000491494421 904624582 /nfs/dbraw/zinc/62/45/82/904624582.db2.gz QFDWPGHGYONONC-UHFFFAOYSA-N 0 0 402.472 4.262 20 5 HIBDRN CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000491546030 904645561 /nfs/dbraw/zinc/64/55/61/904645561.db2.gz MCIMVPOLJOEKMK-CQSZACIVSA-N 0 0 424.284 4.286 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000491665444 904682416 /nfs/dbraw/zinc/68/24/16/904682416.db2.gz KYHZIMGDSQAUGJ-MHZLTWQESA-N 0 0 424.544 4.060 20 5 HIBDRN CCC[C@]1(C(F)(F)F)CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000491759016 904693343 /nfs/dbraw/zinc/69/33/43/904693343.db2.gz GGSSISOATGGGTP-CYBMUJFWSA-N 0 0 400.806 4.134 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000491856454 904712473 /nfs/dbraw/zinc/71/24/73/904712473.db2.gz FBSFIDLOHVSOPJ-UHFFFAOYSA-N 0 0 416.499 4.191 20 5 HIBDRN CC1CCN(C(=O)c2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)CC1 ZINC000492218972 904816655 /nfs/dbraw/zinc/81/66/55/904816655.db2.gz BWQKOCODVWHPKQ-UHFFFAOYSA-N 0 0 406.442 4.201 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000506213300 914847264 /nfs/dbraw/zinc/84/72/64/914847264.db2.gz BQJYMOFPSXKCGS-UHFFFAOYSA-N 0 0 408.520 4.291 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000492379285 904842348 /nfs/dbraw/zinc/84/23/48/904842348.db2.gz WOCKKQSFEWXOND-AWEZNQCLSA-N 0 0 416.359 4.477 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000492397993 904843211 /nfs/dbraw/zinc/84/32/11/904843211.db2.gz VJEPCIOPGWARFL-KRWDZBQOSA-N 0 0 415.515 4.050 20 5 HIBDRN O=C(Nc1cc(-c2cccnc2)[nH]n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000492441100 904849495 /nfs/dbraw/zinc/84/94/95/904849495.db2.gz CVYFKQDDKGKYPJ-UHFFFAOYSA-N 0 0 400.398 4.376 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000506225246 914851219 /nfs/dbraw/zinc/85/12/19/914851219.db2.gz IEVZKBLYSRGPMK-SFHVURJKSA-N 0 0 424.906 4.011 20 5 HIBDRN CCOc1cc(CNc2cccc(C(=O)Nc3ccc(OC)nc3)c2)ccc1[N+](=O)[O-] ZINC000492718686 904893433 /nfs/dbraw/zinc/89/34/33/904893433.db2.gz BFLGWSDFTZIGGT-UHFFFAOYSA-N 0 0 422.441 4.262 20 5 HIBDRN CCOc1cc(CN[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)ccc1[N+](=O)[O-] ZINC000492814650 904911388 /nfs/dbraw/zinc/91/13/88/904911388.db2.gz BHRCAZXOLPZZEX-CYBMUJFWSA-N 0 0 400.410 4.342 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000512385197 921121877 /nfs/dbraw/zinc/12/18/77/921121877.db2.gz BZSOFRUZZBYABM-SFHVURJKSA-N 0 0 412.339 4.333 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000492934543 904953417 /nfs/dbraw/zinc/95/34/17/904953417.db2.gz ACEDTXSEOUEZDQ-AUUYWEPGSA-N 0 0 403.866 4.401 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000492934546 904954309 /nfs/dbraw/zinc/95/43/09/904954309.db2.gz ACEDTXSEOUEZDQ-KUHUBIRLSA-N 0 0 403.866 4.401 20 5 HIBDRN CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H](c1ncc[nH]1)c1ccccc1 ZINC000492949010 904961711 /nfs/dbraw/zinc/96/17/11/904961711.db2.gz FIXOEXBJESYJEK-FQEVSTJZSA-N 0 0 413.437 4.242 20 5 HIBDRN O=C(c1cc2sccc2s1)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493109210 905022070 /nfs/dbraw/zinc/02/20/70/905022070.db2.gz ZIDWOJVOFULBHW-UHFFFAOYSA-N 0 0 421.931 4.482 20 5 HIBDRN CC[C@@H](NC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000493133075 905028284 /nfs/dbraw/zinc/02/82/84/905028284.db2.gz OEGDYCWYLZYFKQ-FXAWDEMLSA-N 0 0 410.474 4.106 20 5 HIBDRN O=C([C@H]1C[C@H]1c1ccccc1OC(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493153180 905035551 /nfs/dbraw/zinc/03/55/51/905035551.db2.gz LUPBISYRPMYTCL-ROUUACIJSA-N 0 0 402.397 4.491 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccccc1OC(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493153187 905035883 /nfs/dbraw/zinc/03/58/83/905035883.db2.gz LUPBISYRPMYTCL-ZWKOTPCHSA-N 0 0 402.397 4.491 20 5 HIBDRN O=C(c1cnc(-c2ccc3c(c2)OCO3)s1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493163405 905037249 /nfs/dbraw/zinc/03/72/49/905037249.db2.gz YFRCRDAECKYOGK-UHFFFAOYSA-N 0 0 423.450 4.252 20 5 HIBDRN O=C(Nc1ccc2nc(C(F)F)sc2c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000493205984 905050951 /nfs/dbraw/zinc/05/09/51/905050951.db2.gz PDLDOLLHNAPYAF-UHFFFAOYSA-N 0 0 422.417 4.208 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N(C)Cc2nccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000493231696 905059390 /nfs/dbraw/zinc/05/93/90/905059390.db2.gz BBRCYQOHYSDEGV-QGZVFWFLSA-N 0 0 407.474 4.051 20 5 HIBDRN CC[C@@H](NC(=O)Nc1ccc(CC(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000493251841 905069627 /nfs/dbraw/zinc/06/96/27/905069627.db2.gz GRZPLZGFVCLWOA-HXUWFJFHSA-N 0 0 412.490 4.279 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000493277773 905075748 /nfs/dbraw/zinc/07/57/48/905075748.db2.gz BETGMQHEJCRWBR-LBPRGKRZSA-N 0 0 424.379 4.078 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000493279842 905078083 /nfs/dbraw/zinc/07/80/83/905078083.db2.gz JVGPWOOJVJRXQW-INIZCTEOSA-N 0 0 410.474 4.412 20 5 HIBDRN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000493321986 905087370 /nfs/dbraw/zinc/08/73/70/905087370.db2.gz PYSQHYUAAXKXRY-GCJKJVERSA-N 0 0 411.502 4.268 20 5 HIBDRN O=C(CN[C@@H](c1c(F)cccc1F)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000506268221 914872866 /nfs/dbraw/zinc/87/28/66/914872866.db2.gz HNYJMCGBHGJZEY-HNNXBMFYSA-N 0 0 423.725 4.358 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccccc2C(F)(F)F)c2ccncc21 ZINC000493554784 905161485 /nfs/dbraw/zinc/16/14/85/905161485.db2.gz WZIXQJHFWYHUBO-CYBMUJFWSA-N 0 0 405.376 4.425 20 5 HIBDRN COc1cc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000512388220 921124622 /nfs/dbraw/zinc/12/46/22/921124622.db2.gz YLJOKBFBEPKEGK-GOSISDBHSA-N 0 0 412.339 4.333 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)cc([N+](=O)[O-])c1 ZINC000512392023 921128610 /nfs/dbraw/zinc/12/86/10/921128610.db2.gz ILISZHOCZAGPOI-FQEVSTJZSA-N 0 0 420.824 4.136 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1[N+](=O)[O-] ZINC000493917625 905266930 /nfs/dbraw/zinc/26/69/30/905266930.db2.gz SPOVDYJJLPNADF-LBPRGKRZSA-N 0 0 424.482 4.206 20 5 HIBDRN CCCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCCC1 ZINC000493928057 905279858 /nfs/dbraw/zinc/27/98/58/905279858.db2.gz QHJNXIFQGTZDKZ-UHFFFAOYSA-N 0 0 413.421 4.096 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000512398103 921133915 /nfs/dbraw/zinc/13/39/15/921133915.db2.gz LEUVUTQWRLGHHY-HXUWFJFHSA-N 0 0 401.825 4.369 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000493966679 905317161 /nfs/dbraw/zinc/31/71/61/905317161.db2.gz KYGZPPSVLOEOAK-MRXNPFEDSA-N 0 0 416.547 4.171 20 5 HIBDRN CCCn1ccc2cc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc21 ZINC000493993225 905335570 /nfs/dbraw/zinc/33/55/70/905335570.db2.gz SMIFTFDCDJYBBF-HNNXBMFYSA-N 0 0 408.458 4.084 20 5 HIBDRN Cc1nc(COc2ccc(Nc3ccc([N+](=O)[O-])cc3Br)cc2)no1 ZINC000493995829 905337656 /nfs/dbraw/zinc/33/76/56/905337656.db2.gz GQJGKCYOZZFZTH-UHFFFAOYSA-N 0 0 405.208 4.371 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000494014314 905353506 /nfs/dbraw/zinc/35/35/06/905353506.db2.gz CLMNGOVKPMRLML-PZJWPPBQSA-N 0 0 405.458 4.458 20 5 HIBDRN Cc1c(NC(=O)CCN2CCn3c(cc4cc(Cl)ccc43)C2)cccc1[N+](=O)[O-] ZINC000494028057 905370350 /nfs/dbraw/zinc/37/03/50/905370350.db2.gz PAOJFYHHCRYERD-UHFFFAOYSA-N 0 0 412.877 4.356 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494128886 905473299 /nfs/dbraw/zinc/47/32/99/905473299.db2.gz ULTNCKUPJDJTIV-APWZRJJASA-N 0 0 423.847 4.480 20 5 HIBDRN COc1cccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1O ZINC000494157078 905492534 /nfs/dbraw/zinc/49/25/34/905492534.db2.gz QBOCVPYHPTZRIC-UHFFFAOYSA-N 0 0 417.468 4.477 20 5 HIBDRN CC(C)N1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494170048 905505829 /nfs/dbraw/zinc/50/58/29/905505829.db2.gz ITPWXENDTXREPT-HKUYNNGSSA-N 0 0 423.847 4.480 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000494209888 905541898 /nfs/dbraw/zinc/54/18/98/905541898.db2.gz VJRSRTVFMCWQPB-HNNXBMFYSA-N 0 0 420.849 4.457 20 5 HIBDRN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494221666 905550244 /nfs/dbraw/zinc/55/02/44/905550244.db2.gz ZGNCNDKNIXJUNC-UHFFFAOYSA-N 0 0 408.458 4.027 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000494225853 905554572 /nfs/dbraw/zinc/55/45/72/905554572.db2.gz DBLVKLHXCNFPIU-KRWDZBQOSA-N 0 0 404.850 4.377 20 5 HIBDRN C[C@@H](CCc1ccc(O)cc1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494224734 905555124 /nfs/dbraw/zinc/55/51/24/905555124.db2.gz VJEPBUHLPRHACJ-LBPRGKRZSA-N 0 0 411.380 4.140 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nc(C2CC2)ncc1Br ZINC000494338942 905646871 /nfs/dbraw/zinc/64/68/71/905646871.db2.gz MHDSRLXSBLHQFD-UHFFFAOYSA-N 0 0 419.279 4.076 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1nc(C2CCCCC2)no1 ZINC000494394638 905691022 /nfs/dbraw/zinc/69/10/22/905691022.db2.gz WBFDKYDUORUTIB-CQSZACIVSA-N 0 0 413.478 4.461 20 5 HIBDRN COc1cccc(C[C@@H](C)NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000494422028 905707674 /nfs/dbraw/zinc/70/76/74/905707674.db2.gz NFZNLHBUDOHRRV-IAGOWNOFSA-N 0 0 411.502 4.201 20 5 HIBDRN Cc1cc(Br)c2c(c1)CN(Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000494435519 905720313 /nfs/dbraw/zinc/72/03/13/905720313.db2.gz INYHHTGLCKHEQK-UHFFFAOYSA-N 0 0 419.275 4.091 20 5 HIBDRN Cc1ccc(N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCCCC1 ZINC000494495305 905784590 /nfs/dbraw/zinc/78/45/90/905784590.db2.gz NDIWZZCQFSCNAT-KRWDZBQOSA-N 0 0 424.501 4.359 20 5 HIBDRN CN(Cc1cc(Br)ccc1Cl)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000494544623 905824738 /nfs/dbraw/zinc/82/47/38/905824738.db2.gz OSJJPLMJGLDGKZ-UHFFFAOYSA-N 0 0 412.671 4.352 20 5 HIBDRN CN(Cc1nccn1C(F)F)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000494599285 905855906 /nfs/dbraw/zinc/85/59/06/905855906.db2.gz SDBAITJLJYKHPC-UHFFFAOYSA-N 0 0 416.384 4.038 20 5 HIBDRN CC[C@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000494633599 905873925 /nfs/dbraw/zinc/87/39/25/905873925.db2.gz OJNHYXJVXNHXMY-LBPRGKRZSA-N 0 0 401.435 4.253 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Cl)ccc2Br)c([N+](=O)[O-])cc1OC ZINC000494683969 905899358 /nfs/dbraw/zinc/89/93/58/905899358.db2.gz XVBGNRATWVXRRD-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c(F)cccc1F ZINC000494726030 905926927 /nfs/dbraw/zinc/92/69/27/905926927.db2.gz FCLRYUHCZWIYFO-VIFPVBQESA-N 0 0 403.307 4.452 20 5 HIBDRN C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1OCCc2sccc21 ZINC000494950768 906123309 /nfs/dbraw/zinc/12/33/09/906123309.db2.gz NYEMHIMMPRFNET-DJJJIMSYSA-N 0 0 401.488 4.033 20 5 HIBDRN COc1ccc(CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])[C@@H](C)C2CC2)c(OC)c1 ZINC000512524348 921215133 /nfs/dbraw/zinc/21/51/33/921215133.db2.gz DSLYOEFDXGDXGA-AWEZNQCLSA-N 0 0 414.458 4.062 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccccc1Oc1ccccc1Cl ZINC000495120994 906253319 /nfs/dbraw/zinc/25/33/19/906253319.db2.gz UMPQSPBTXVNXDE-UHFFFAOYSA-N 0 0 401.810 4.059 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])cc1OCC ZINC000495121552 906254872 /nfs/dbraw/zinc/25/48/72/906254872.db2.gz MSHOJJLOVXJZRC-CQSZACIVSA-N 0 0 407.467 4.006 20 5 HIBDRN CCOc1cc(NC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c([N+](=O)[O-])cc1OCC ZINC000495131080 906261211 /nfs/dbraw/zinc/26/12/11/906261211.db2.gz UNAJMDHWZWRFCP-WHSLLNHNSA-N 0 0 411.458 4.100 20 5 HIBDRN 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ZINC000512568721 921242291 /nfs/dbraw/zinc/24/22/91/921242291.db2.gz MCWAXZCMDAGJGO-UHFFFAOYSA-N 0 0 416.231 4.014 20 5 HIBDRN CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000495804800 906552480 /nfs/dbraw/zinc/55/24/80/906552480.db2.gz SUBGYPSORPHALX-LJQANCHMSA-N 0 0 417.893 4.236 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000496026163 906600643 /nfs/dbraw/zinc/60/06/43/906600643.db2.gz BPFHNGCWUFUFGO-UHFFFAOYSA-N 0 0 416.425 4.025 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)COc1ccccc1OC ZINC000496360506 906666334 /nfs/dbraw/zinc/66/63/34/906666334.db2.gz WGZANTKJAAUQDL-CQSZACIVSA-N 0 0 404.488 4.160 20 5 HIBDRN CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000496445566 906681260 /nfs/dbraw/zinc/68/12/60/906681260.db2.gz AQVNMBCQJQHBKO-HSZRJFAPSA-N 0 0 405.454 4.315 20 5 HIBDRN CNS(=O)(=O)c1ccc(C)c(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000512609818 921259459 /nfs/dbraw/zinc/25/94/59/921259459.db2.gz QZZNPIHHLYCCBT-UHFFFAOYSA-N 0 0 417.512 4.152 20 5 HIBDRN Cn1cc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000496630377 906723285 /nfs/dbraw/zinc/72/32/85/906723285.db2.gz JFOYJDBDHDBPCH-MRXNPFEDSA-N 0 0 410.861 4.278 20 5 HIBDRN COc1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc(OC)c1C(C)C ZINC000496669939 906732196 /nfs/dbraw/zinc/73/21/96/906732196.db2.gz KHWAVZVUIJCMTC-UHFFFAOYSA-N 0 0 410.430 4.173 20 5 HIBDRN O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497352369 906847891 /nfs/dbraw/zinc/84/78/91/906847891.db2.gz LAFMKDUMUMPWHC-SJLPKXTDSA-N 0 0 406.385 4.064 20 5 HIBDRN Cc1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)NC(C)(C)C ZINC000512644251 921272221 /nfs/dbraw/zinc/27/22/21/921272221.db2.gz LABXVGWPFUTOPH-UHFFFAOYSA-N 0 0 411.911 4.246 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000497369396 906858339 /nfs/dbraw/zinc/85/83/39/906858339.db2.gz VUBOYRQAHLKSNL-GOSISDBHSA-N 0 0 418.352 4.317 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3c(F)cccc3F)cc2)c(C)c1[N+](=O)[O-] ZINC000497374969 906862918 /nfs/dbraw/zinc/86/29/18/906862918.db2.gz SPEQYXQCDCFLFE-LBPRGKRZSA-N 0 0 414.412 4.226 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCCc3c[nH]c4cc(F)ccc34)cc2[N+](=O)[O-])C1 ZINC000497455682 906932302 /nfs/dbraw/zinc/93/23/02/906932302.db2.gz AEVPGEUMVNLIRD-OAHLLOKOSA-N 0 0 424.476 4.424 20 5 HIBDRN CN1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]1c1ccc(F)c(F)c1 ZINC000497488578 906972467 /nfs/dbraw/zinc/97/24/67/906972467.db2.gz AYGIMRAWIKVKKW-VQIMIIECSA-N 0 0 417.437 4.263 20 5 HIBDRN Cc1ccnc([C@H](NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000497497974 906983692 /nfs/dbraw/zinc/98/36/92/906983692.db2.gz YHIAQAPHNWJUOO-VFCRVFHLSA-N 0 0 423.517 4.057 20 5 HIBDRN Cc1ccnc([C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000497501444 906986157 /nfs/dbraw/zinc/98/61/57/906986157.db2.gz UAZBFUHTBKFZDZ-OAQYLSRUSA-N 0 0 417.469 4.186 20 5 HIBDRN CS(=O)(=O)c1cccc(Nc2ccc(Oc3ccc(CO)cc3)cc2)c1[N+](=O)[O-] ZINC000497524676 907012724 /nfs/dbraw/zinc/01/27/24/907012724.db2.gz VGNVMFUNSMPTTP-UHFFFAOYSA-N 0 0 414.439 4.027 20 5 HIBDRN CCCCc1nc(-c2cccc(Oc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])c2)no1 ZINC000497542286 907034271 /nfs/dbraw/zinc/03/42/71/907034271.db2.gz ZIOJHXHRMQYOSS-UHFFFAOYSA-N 0 0 417.443 4.183 20 5 HIBDRN CC[C@H](Nc1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000497555483 907044707 /nfs/dbraw/zinc/04/47/07/907044707.db2.gz ZKEQNYRMCOJDOO-WMLDXEAASA-N 0 0 411.380 4.269 20 5 HIBDRN COc1cccc2[nH]cc(CC(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)c21 ZINC000497571334 907056879 /nfs/dbraw/zinc/05/68/79/907056879.db2.gz NXFIBBVOHKTWRU-UHFFFAOYSA-N 0 0 422.466 4.414 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000497580869 907063625 /nfs/dbraw/zinc/06/36/25/907063625.db2.gz OULJDKHRMJZIHY-SFHVURJKSA-N 0 0 404.463 4.368 20 5 HIBDRN CCn1c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)nc2cc(Cl)ccc21 ZINC000497583641 907065083 /nfs/dbraw/zinc/06/50/83/907065083.db2.gz ATRLSOKRNKZTOO-UHFFFAOYSA-N 0 0 410.764 4.472 20 5 HIBDRN CN(C)c1nc2sc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2s1 ZINC000497581434 907065710 /nfs/dbraw/zinc/06/57/10/907065710.db2.gz XJDVCUDAEOSMRC-UHFFFAOYSA-N 0 0 402.501 4.137 20 5 HIBDRN Cc1nc([C@@](C)(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C2CC2)no1 ZINC000497591592 907073280 /nfs/dbraw/zinc/07/32/80/907073280.db2.gz CNSZEIPAQGHXHD-NRFANRHFSA-N 0 0 407.430 4.085 20 5 HIBDRN Cc1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccn2)c1 ZINC000497598470 907077633 /nfs/dbraw/zinc/07/76/33/907077633.db2.gz ODLANWXWNAVEOE-LJQANCHMSA-N 0 0 413.380 4.419 20 5 HIBDRN CN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497769708 907262206 /nfs/dbraw/zinc/26/22/06/907262206.db2.gz XTFFOGBAHMONCU-UHFFFAOYSA-N 0 0 400.232 4.178 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1nccn1-c1ccccc1 ZINC000512787786 921311516 /nfs/dbraw/zinc/31/15/16/921311516.db2.gz LNFJRPJRETYNHK-INIZCTEOSA-N 0 0 405.458 4.216 20 5 HIBDRN C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000497822109 907305159 /nfs/dbraw/zinc/30/51/59/907305159.db2.gz PQBPCDZUJIXDQP-GFCCVEGCSA-N 0 0 416.384 4.088 20 5 HIBDRN O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000497839256 907320544 /nfs/dbraw/zinc/32/05/44/907320544.db2.gz HARNAJUQXKKQSL-UHFFFAOYSA-N 0 0 424.384 4.336 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(Cc1ccccc1)CC1CCC1 ZINC000512805174 921314720 /nfs/dbraw/zinc/31/47/20/921314720.db2.gz BVIZZPRWPAUNJR-UHFFFAOYSA-N 0 0 423.469 4.112 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000497883915 907357421 /nfs/dbraw/zinc/35/74/21/907357421.db2.gz NKHYPHYWWXQIDC-KRWDZBQOSA-N 0 0 423.391 4.309 20 5 HIBDRN O=C(Nc1nc(-c2cc(Br)cs2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000497942174 907410404 /nfs/dbraw/zinc/41/04/04/907410404.db2.gz QLCRAMNQHGHPGS-UHFFFAOYSA-N 0 0 400.235 4.388 20 5 HIBDRN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000497953135 907423866 /nfs/dbraw/zinc/42/38/66/907423866.db2.gz QPRJXTCISZQICB-HNNXBMFYSA-N 0 0 418.418 4.050 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc(-c2cccs2)ns1 ZINC000497977782 907451071 /nfs/dbraw/zinc/45/10/71/907451071.db2.gz WOGFMYCTYWSFHB-QMMMGPOBSA-N 0 0 410.864 4.234 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)c3c(F)cccc3F)cc2)c(C)c1[N+](=O)[O-] ZINC000498008397 907497473 /nfs/dbraw/zinc/49/74/73/907497473.db2.gz INZGTXKXGXAQPY-UHFFFAOYSA-N 0 0 400.385 4.011 20 5 HIBDRN O=C(Nc1cccc(OC2CCCC2)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000498040165 907545151 /nfs/dbraw/zinc/54/51/51/907545151.db2.gz VPPQBPLIAKOMJI-UHFFFAOYSA-N 0 0 402.472 4.253 20 5 HIBDRN COc1ccccc1C(=O)N1[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCC[C@@H]21 ZINC000498046709 907557151 /nfs/dbraw/zinc/55/71/51/907557151.db2.gz LRUZNIFICZBFOR-YSSFQJQWSA-N 0 0 423.469 4.015 20 5 HIBDRN Cc1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000498076901 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O=C(Nc1cccc(OCc2cccnc2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498191234 907724544 /nfs/dbraw/zinc/72/45/44/907724544.db2.gz GZEGBDORTBEARC-UHFFFAOYSA-N 0 0 400.394 4.369 20 5 HIBDRN COc1ccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000498265520 907802469 /nfs/dbraw/zinc/80/24/69/907802469.db2.gz HISUCZQWOOEVHD-UHFFFAOYSA-N 0 0 421.453 4.154 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498266174 907802630 /nfs/dbraw/zinc/80/26/30/907802630.db2.gz BXBASXWUFGCNPF-CQSZACIVSA-N 0 0 411.483 4.310 20 5 HIBDRN O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498266547 907804189 /nfs/dbraw/zinc/80/41/89/907804189.db2.gz ROWYKADXSJBDFQ-UHFFFAOYSA-N 0 0 400.398 4.058 20 5 HIBDRN COCCSc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000498270394 907807819 /nfs/dbraw/zinc/80/78/19/907807819.db2.gz LVULYBDHUTZKAN-AWEZNQCLSA-N 0 0 411.483 4.373 20 5 HIBDRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 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412.412 4.125 20 5 HIBDRN O=C(Nc1cccc2oc(C(F)(F)F)nc21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000499511967 908823097 /nfs/dbraw/zinc/82/30/97/908823097.db2.gz CRVZPQHTWJXGDT-UHFFFAOYSA-N 0 0 417.303 4.193 20 5 HIBDRN COc1ccc2nc(C3CC3)cc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2c1 ZINC000512968367 921444725 /nfs/dbraw/zinc/44/47/25/921444725.db2.gz SPVGAOAUGGWHEC-UHFFFAOYSA-N 0 0 405.454 4.344 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3c(F)cccc3Cl)CC2)c2cccnc21 ZINC000499662600 908868727 /nfs/dbraw/zinc/86/87/27/908868727.db2.gz HXVIXCJCXQVWSJ-UHFFFAOYSA-N 0 0 400.841 4.258 20 5 HIBDRN Cc1c(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cccc1[N+](=O)[O-] ZINC000499679396 908874447 /nfs/dbraw/zinc/87/44/47/908874447.db2.gz LZGXSICJAHOLGB-UHFFFAOYSA-N 0 0 401.422 4.358 20 5 HIBDRN COC(=O)c1ccccc1-c1ccccc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000512972010 921447692 /nfs/dbraw/zinc/44/76/92/921447692.db2.gz ACXRXEAGKLSGFC-UHFFFAOYSA-N 0 0 418.449 4.363 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000512973080 921447843 /nfs/dbraw/zinc/44/78/43/921447843.db2.gz IWAHZCQUUPQPIL-PAXLWEDBSA-N 0 0 424.497 4.122 20 5 HIBDRN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000499751263 908898329 /nfs/dbraw/zinc/89/83/29/908898329.db2.gz METFQCJQCSIQCO-LBPRGKRZSA-N 0 0 404.264 4.014 20 5 HIBDRN CCC[C@H](C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000499815494 908945215 /nfs/dbraw/zinc/94/52/15/908945215.db2.gz SWMPUBPDNMHGFP-AWEZNQCLSA-N 0 0 419.503 4.469 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)c(Br)cc1Cl ZINC000512986445 921455827 /nfs/dbraw/zinc/45/58/27/921455827.db2.gz VYNHWGRCTSKPOI-UHFFFAOYSA-N 0 0 415.646 4.465 20 5 HIBDRN COc1ccc(CN(CC2CC2)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000513002341 921468077 /nfs/dbraw/zinc/46/80/77/921468077.db2.gz XONRFTQNEIQYKS-UHFFFAOYSA-N 0 0 412.486 4.328 20 5 HIBDRN 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0 0 401.438 4.158 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000538325497 938593639 /nfs/dbraw/zinc/59/36/39/938593639.db2.gz AWXOUPLJASATDH-QFYYESIMSA-N 0 0 400.328 4.259 20 5 HIBDRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538327555 938594200 /nfs/dbraw/zinc/59/42/00/938594200.db2.gz BICGECAWRCGAQR-KPZWWZAWSA-N 0 0 415.446 4.363 20 5 HIBDRN CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000538336979 938596490 /nfs/dbraw/zinc/59/64/90/938596490.db2.gz FVKWEJNQXYZFJL-WBVHZDCISA-N 0 0 405.248 4.042 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000538367616 938604905 /nfs/dbraw/zinc/60/49/05/938604905.db2.gz MHHVNOYZSGGSMU-KSSFIOAISA-N 0 0 408.813 4.046 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1C ZINC000538405200 938612969 /nfs/dbraw/zinc/61/29/69/938612969.db2.gz ZVDYBMSNTHNZOH-UWJYYQICSA-N 0 0 406.442 4.114 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1)C(C)C ZINC000538425612 938617438 /nfs/dbraw/zinc/61/74/38/938617438.db2.gz PDNHRPDCPCYRIP-UHFFFAOYSA-N 0 0 413.474 4.068 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000538521447 938640593 /nfs/dbraw/zinc/64/05/93/938640593.db2.gz YLQNNBAKMPMTRM-UHFFFAOYSA-N 0 0 402.398 4.498 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000538545199 938645658 /nfs/dbraw/zinc/64/56/58/938645658.db2.gz LCHHNNVCUYILBU-UHFFFAOYSA-N 0 0 410.451 4.129 20 5 HIBDRN CCCc1nnc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000538592062 938657193 /nfs/dbraw/zinc/65/71/93/938657193.db2.gz MEJNZSOZEYVSAW-UHFFFAOYSA-N 0 0 404.430 4.395 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000538623161 938664783 /nfs/dbraw/zinc/66/47/83/938664783.db2.gz HUAKSCSGSZETCT-GJZGRUSLSA-N 0 0 409.483 4.107 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)cs1 ZINC000538638960 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CCc1ccc([C@@H](NCc2ccc(-n3cncn3)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542494432 939832584 /nfs/dbraw/zinc/83/25/84/939832584.db2.gz JOSDRRYVBVLEFP-QFIPXVFZSA-N 0 0 403.442 4.210 20 5 HIBDRN Cc1nc(COc2ccc(Nc3ncc([N+](=O)[O-])c(C)c3Br)cc2)no1 ZINC000542505745 939833919 /nfs/dbraw/zinc/83/39/19/939833919.db2.gz LWQMMVCDNNHLKF-UHFFFAOYSA-N 0 0 420.223 4.075 20 5 HIBDRN COCCCOc1cccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)c1 ZINC000542505839 939833955 /nfs/dbraw/zinc/83/39/55/939833955.db2.gz NDRPJROGBVFZDH-UHFFFAOYSA-N 0 0 410.268 4.088 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(N3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)c21 ZINC000542505511 939834072 /nfs/dbraw/zinc/83/40/72/939834072.db2.gz DXLWRALFBUWGQV-MRXNPFEDSA-N 0 0 404.348 4.135 20 5 HIBDRN Cc1c(Br)c(N2CC[C@H](OCCCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000542505900 939834076 /nfs/dbraw/zinc/83/40/76/939834076.db2.gz CPXAKNKLHFWOGH-INIZCTEOSA-N 0 0 420.307 4.289 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)CCCNc2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC000542507614 939834308 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421.428 4.334 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542546483 939841813 /nfs/dbraw/zinc/84/18/13/939841813.db2.gz ZAHBUIMJPSFMQO-QLFBSQMISA-N 0 0 401.438 4.090 20 5 HIBDRN C[C@H](C(=O)N1CC[C@H](OCCCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542552889 939842439 /nfs/dbraw/zinc/84/24/39/939842439.db2.gz WFLPCSPKYCHGLI-LPHOPBHVSA-N 0 0 400.450 4.088 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCc2c(Br)ccc(F)c2C1 ZINC000542569936 939844830 /nfs/dbraw/zinc/84/48/30/939844830.db2.gz ZOWKXCICYOJOMM-UHFFFAOYSA-N 0 0 407.239 4.014 20 5 HIBDRN Cc1cnc([C@H](C)CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000542572223 939845181 /nfs/dbraw/zinc/84/51/81/939845181.db2.gz CRUIFEQLUXUJHY-UONOGXRCSA-N 0 0 402.520 4.130 20 5 HIBDRN Cc1csc([C@H](C)CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000542585712 939846429 /nfs/dbraw/zinc/84/64/29/939846429.db2.gz BJDKUKMXUCMZST-QLFBSQMISA-N 0 0 416.547 4.376 20 5 HIBDRN 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ZINC000542857052 939863578 /nfs/dbraw/zinc/86/35/78/939863578.db2.gz UEWMAIZTSNKKDB-UHFFFAOYSA-N 0 0 405.382 4.046 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)n1 ZINC000542863367 939864016 /nfs/dbraw/zinc/86/40/16/939864016.db2.gz NDHRMWGPBCRUSA-LJQANCHMSA-N 0 0 411.483 4.212 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000542908838 939876287 /nfs/dbraw/zinc/87/62/87/939876287.db2.gz QMBVMCOUDGKQBW-INIZCTEOSA-N 0 0 414.767 4.481 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000542913933 939876812 /nfs/dbraw/zinc/87/68/12/939876812.db2.gz SAPSHMYHLGMKGX-QGZVFWFLSA-N 0 0 419.359 4.309 20 5 HIBDRN CCc1nc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nn1-c1ccccc1F ZINC000542927752 939879570 /nfs/dbraw/zinc/87/95/70/939879570.db2.gz OCGJTIMUMXSUSL-UHFFFAOYSA-N 0 0 423.326 4.148 20 5 HIBDRN COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000542927994 939879665 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20 5 HIBDRN COC(=O)[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000543087068 939935110 /nfs/dbraw/zinc/93/51/10/939935110.db2.gz NQCKTAGUMRHOID-JLTOFOAXSA-N 0 0 424.478 4.259 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccnn1Cc1ccccc1 ZINC000543114579 939952800 /nfs/dbraw/zinc/95/28/00/939952800.db2.gz SUIJVINTLACDEV-UHFFFAOYSA-N 0 0 402.863 4.224 20 5 HIBDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000543122537 939956888 /nfs/dbraw/zinc/95/68/88/939956888.db2.gz NZIFKSMVVIZYKO-LLVKDONJSA-N 0 0 407.879 4.176 20 5 HIBDRN COC(=O)[C@@H](C)[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000543123639 939957198 /nfs/dbraw/zinc/95/71/98/939957198.db2.gz SWWZCILDEHKUIZ-SGTLLEGYSA-N 0 0 422.890 4.007 20 5 HIBDRN COc1cc2c(cc1F)CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000543127703 939959823 /nfs/dbraw/zinc/95/98/23/939959823.db2.gz ONWRKHJYSOCOPX-UHFFFAOYSA-N 0 0 410.854 4.073 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000543138866 939965751 /nfs/dbraw/zinc/96/57/51/939965751.db2.gz MHUWEJQVYYLKTC-JOCHJYFZSA-N 0 0 405.454 4.381 20 5 HIBDRN CCn1c(S[C@H](Cc2ccccc2)C(=O)NC)nc2cc3ccccc3cc2c1=O ZINC000543141373 939966708 /nfs/dbraw/zinc/96/67/08/939966708.db2.gz AUQDAWFELUSAEA-OAQYLSRUSA-N 0 0 417.534 4.019 20 5 HIBDRN COc1cccc(NC(=O)[C@H](NCc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)c1 ZINC000543140536 939967030 /nfs/dbraw/zinc/96/70/30/939967030.db2.gz OPUVGKJFRONXPL-JOCHJYFZSA-N 0 0 421.453 4.082 20 5 HIBDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543141268 939967203 /nfs/dbraw/zinc/96/72/03/939967203.db2.gz UTIPAPMMOPPCPM-UHFFFAOYSA-N 0 0 421.906 4.426 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000543156377 939978823 /nfs/dbraw/zinc/97/88/23/939978823.db2.gz IJHHDDPSQCWWBQ-CQSZACIVSA-N 0 0 420.874 4.034 20 5 HIBDRN O=C(CCc1cc(F)ccc1Br)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000543159778 939980586 /nfs/dbraw/zinc/98/05/86/939980586.db2.gz FHFCPAJWTKMTTH-UHFFFAOYSA-N 0 0 407.239 4.014 20 5 HIBDRN CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000543273944 940015083 /nfs/dbraw/zinc/01/50/83/940015083.db2.gz QVCYCHIVHDQPFW-UHFFFAOYSA-N 0 0 408.462 4.379 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(Cc2cccnc2)CC1 ZINC000543298188 940021354 /nfs/dbraw/zinc/02/13/54/940021354.db2.gz VUXDSWCAJFSVBQ-UHFFFAOYSA-N 0 0 405.907 4.217 20 5 HIBDRN CCOC(=O)C[C@H](C)N(C)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000543304728 940023386 /nfs/dbraw/zinc/02/33/86/940023386.db2.gz MRCCWLMRYAXAHO-AWEZNQCLSA-N 0 0 401.419 4.193 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000543311824 940025834 /nfs/dbraw/zinc/02/58/34/940025834.db2.gz SWUAOVOIKZXBOA-UHFFFAOYSA-N 0 0 409.446 4.036 20 5 HIBDRN CCc1ccc([C@@H](NCc2cccc(-n3cncn3)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403626 940052952 /nfs/dbraw/zinc/05/29/52/940052952.db2.gz IDECNMIYQSOUNG-QFIPXVFZSA-N 0 0 403.442 4.210 20 5 HIBDRN CCNC(=O)c1ccc(CN[C@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000543406736 940054924 /nfs/dbraw/zinc/05/49/24/940054924.db2.gz QHWCMLKXZJPIDN-QFIPXVFZSA-N 0 0 407.470 4.379 20 5 HIBDRN CCCCNC(=O)c1ccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)cc1 ZINC000543437929 940063661 /nfs/dbraw/zinc/06/36/61/940063661.db2.gz CXTRLADQSQTWAX-UHFFFAOYSA-N 0 0 421.295 4.203 20 5 HIBDRN Cc1c(Br)c(N[C@@H](C)c2ccccc2-n2cccn2)ncc1[N+](=O)[O-] ZINC000543436328 940063869 /nfs/dbraw/zinc/06/38/69/940063869.db2.gz JFLCUQRLJWBOOD-LBPRGKRZSA-N 0 0 402.252 4.420 20 5 HIBDRN CC[C@@H](C)NC(=O)c1cccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)c1 ZINC000543449494 940066506 /nfs/dbraw/zinc/06/65/06/940066506.db2.gz MZKQNDPEPUMUQT-LLVKDONJSA-N 0 0 421.295 4.201 20 5 HIBDRN CCOCCCn1c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)nc2ccccc21 ZINC000543466713 940073361 /nfs/dbraw/zinc/07/33/61/940073361.db2.gz JSMBKXLRUCUNOZ-CQSZACIVSA-N 0 0 414.437 4.252 20 5 HIBDRN CC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000543497064 940084830 /nfs/dbraw/zinc/08/48/30/940084830.db2.gz SLYCGRXXGUFBIU-CABZTGNLSA-N 0 0 402.398 4.138 20 5 HIBDRN CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543516054 940092324 /nfs/dbraw/zinc/09/23/24/940092324.db2.gz FZVMQXLKMURWMP-YJBOKZPZSA-N 0 0 424.375 4.328 20 5 HIBDRN C[C@H](N[C@@H](C)c1nc(Cc2ccccc2)no1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000543539441 940098820 /nfs/dbraw/zinc/09/88/20/940098820.db2.gz BPLIRYODJOIPGY-KBPBESRZSA-N 0 0 420.429 4.030 20 5 HIBDRN C[C@@H](C(=O)N1CCc2c(Br)cccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000543553773 940106779 /nfs/dbraw/zinc/10/67/79/940106779.db2.gz XRCNYYSTJGEDNY-LLVKDONJSA-N 0 0 407.239 4.185 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)cc2Cl)n[nH]1 ZINC000543568226 940113475 /nfs/dbraw/zinc/11/34/75/940113475.db2.gz GWLIPLSJTGQPSG-SECBINFHSA-N 0 0 403.801 4.223 20 5 HIBDRN Cc1nc(NC(=O)c2c(Br)cccc2Br)ccc1[N+](=O)[O-] ZINC000543633952 940143831 /nfs/dbraw/zinc/14/38/31/940143831.db2.gz XDFVUTBHHHAHQE-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000543642294 940147204 /nfs/dbraw/zinc/14/72/04/940147204.db2.gz SZRCFHCIJXDOGO-CYBMUJFWSA-N 0 0 406.845 4.298 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)Nc3ccc([N+](=O)[O-])cc3F)n2)cc1F ZINC000543643989 940147568 /nfs/dbraw/zinc/14/75/68/940147568.db2.gz CKZKEZHXWYDEJT-JTQLQIEISA-N 0 0 403.345 4.114 20 5 HIBDRN CC[C@H](NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 ZINC000543676478 940158088 /nfs/dbraw/zinc/15/80/88/940158088.db2.gz OBPIQPAUMWLXMK-JTQLQIEISA-N 0 0 423.438 4.117 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CNc3nnc([C@H]4COc5ccccc5O4)o3)o2)cc1 ZINC000543683336 940158863 /nfs/dbraw/zinc/15/88/63/940158863.db2.gz JSAARULICWRRMJ-LJQANCHMSA-N 0 0 420.381 4.362 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)c1 ZINC000543684627 940159582 /nfs/dbraw/zinc/15/95/82/940159582.db2.gz OTTJDULHYFOZEB-UHFFFAOYSA-N 0 0 415.446 4.141 20 5 HIBDRN O=C(NCCCc1nc(-c2ccncc2)cs1)Nc1ccc([N+](=O)[O-])cc1F ZINC000543691507 940160995 /nfs/dbraw/zinc/16/09/95/940160995.db2.gz XMRFQXQTBAQVHS-UHFFFAOYSA-N 0 0 401.423 4.007 20 5 HIBDRN COc1cc(COc2ccccc2-n2ccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543727074 940170564 /nfs/dbraw/zinc/17/05/64/940170564.db2.gz PZLGKQIWADYBSZ-UHFFFAOYSA-N 0 0 405.357 4.012 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCO[C@H](c4ccccc4C(F)(F)F)C3)nc2c1 ZINC000543806906 940192706 /nfs/dbraw/zinc/19/27/06/940192706.db2.gz FCDGCJZVPLDAKA-KRWDZBQOSA-N 0 0 407.348 4.328 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000543843091 940206079 /nfs/dbraw/zinc/20/60/79/940206079.db2.gz PCDWYHOEEARIIW-ABSDTBQOSA-N 0 0 416.522 4.308 20 5 HIBDRN COc1ccc(-c2ccc(C)c(NC(=O)NCc3ccc(OC)c([N+](=O)[O-])c3)c2)cn1 ZINC000563797586 945303297 /nfs/dbraw/zinc/30/32/97/945303297.db2.gz SBGAUIVITNZJTG-UHFFFAOYSA-N 0 0 422.441 4.304 20 5 HIBDRN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])s2)c(OC)c1 ZINC000543868593 940216937 /nfs/dbraw/zinc/21/69/37/940216937.db2.gz ULHDZZJYXWYRAW-LJQANCHMSA-N 0 0 411.439 4.445 20 5 HIBDRN O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])s2)N1c1ccc2c(c1)OCCO2 ZINC000543868197 940217144 /nfs/dbraw/zinc/21/71/44/940217144.db2.gz GJLZZYGVAFRZBW-LJQANCHMSA-N 0 0 409.423 4.199 20 5 HIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543923284 940247611 /nfs/dbraw/zinc/24/76/11/940247611.db2.gz KGPSJJRLGIGSMU-MRXNPFEDSA-N 0 0 414.767 4.481 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000544042309 940307966 /nfs/dbraw/zinc/30/79/66/940307966.db2.gz YAXHJPHFUMKSTG-UHFFFAOYSA-N 0 0 424.284 4.263 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1cnn(C[C@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000544042612 940308577 /nfs/dbraw/zinc/30/85/77/940308577.db2.gz QLJDUICNICIXGC-AWEZNQCLSA-N 0 0 408.241 4.205 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(C(=O)c2ccccc2)CC1 ZINC000544042894 940308719 /nfs/dbraw/zinc/30/87/19/940308719.db2.gz ZVNUONLDYWOLQN-UHFFFAOYSA-N 0 0 418.902 4.462 20 5 HIBDRN Cn1ccnc1Sc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000544052695 940311688 /nfs/dbraw/zinc/31/16/88/940311688.db2.gz CSMCXNKKWZQEHN-UHFFFAOYSA-N 0 0 400.485 4.210 20 5 HIBDRN CC(=O)Nc1ccc(-c2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000544054101 940312174 /nfs/dbraw/zinc/31/21/74/940312174.db2.gz PUQLLMBZRXNITE-UHFFFAOYSA-N 0 0 417.219 4.341 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544058465 940312984 /nfs/dbraw/zinc/31/29/84/940312984.db2.gz AJUYNSLMHCOWPV-UHFFFAOYSA-N 0 0 402.863 4.473 20 5 HIBDRN COc1cccc([C@H]2C[C@H](C)CN2c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1 ZINC000544065395 940315796 /nfs/dbraw/zinc/31/57/96/940315796.db2.gz NSWVLKQOPIULEC-KSFYIVLOSA-N 0 0 409.486 4.427 20 5 HIBDRN CC(=O)Nc1cccc2c1CCCN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544074191 940318425 /nfs/dbraw/zinc/31/84/25/940318425.db2.gz DNNHUHWHNLKSLB-UHFFFAOYSA-N 0 0 419.890 4.278 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544089898 940323262 /nfs/dbraw/zinc/32/32/62/940323262.db2.gz BCLBXMGBKCWNSK-UHFFFAOYSA-N 0 0 422.312 4.225 20 5 HIBDRN COc1cc(Br)ccc1CCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000544104290 940327302 /nfs/dbraw/zinc/32/73/02/940327302.db2.gz GSDQFHXJXKGQCQ-UHFFFAOYSA-N 0 0 407.264 4.037 20 5 HIBDRN CCOc1ccc(NC(=O)CN2C[C@H](C)C[C@H]2c2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000544106531 940327782 /nfs/dbraw/zinc/32/77/82/940327782.db2.gz OZTOVTQZSYHSKN-QRWLVFNGSA-N 0 0 413.474 4.024 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000544111734 940329484 /nfs/dbraw/zinc/32/94/84/940329484.db2.gz ZYLQWNNNWWVVEV-NRFANRHFSA-N 0 0 409.417 4.331 20 5 HIBDRN CC(=O)NC1(c2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)CCCCC1 ZINC000544122244 940331472 /nfs/dbraw/zinc/33/14/72/940331472.db2.gz SCHFIOXXNQVVSI-NSHDSACASA-N 0 0 408.842 4.067 20 5 HIBDRN CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000544124594 940332782 /nfs/dbraw/zinc/33/27/82/940332782.db2.gz ZMCGYUARLXLKTF-CYBMUJFWSA-N 0 0 404.385 4.101 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NCC[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000544140336 940336260 /nfs/dbraw/zinc/33/62/60/940336260.db2.gz QHGKLRJIMSSIFU-BRWVUGGUSA-N 0 0 412.490 4.098 20 5 HIBDRN COc1ccc(C2(CNC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCC2)cc1 ZINC000544166598 940341528 /nfs/dbraw/zinc/34/15/28/940341528.db2.gz ZHLRTZDWBMLDFB-UHFFFAOYSA-N 0 0 408.376 4.474 20 5 HIBDRN CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000544216333 940356728 /nfs/dbraw/zinc/35/67/28/940356728.db2.gz LEPSUUKDKUAJQX-UHFFFAOYSA-N 0 0 420.351 4.100 20 5 HIBDRN Cc1nn(CCC(=O)N2C[C@H](C)CSc3ccc(Cl)cc32)c(C)c1[N+](=O)[O-] ZINC000544218473 940357613 /nfs/dbraw/zinc/35/76/13/940357613.db2.gz FNAIHCSPFVQMEX-NSHDSACASA-N 0 0 408.911 4.227 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccc(O)cc1)CC1CC1 ZINC000544270406 940374953 /nfs/dbraw/zinc/37/49/53/940374953.db2.gz AEZMHHISVKJWRM-UHFFFAOYSA-N 0 0 406.891 4.485 20 5 HIBDRN CNc1ccc(-c2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)cc1[N+](=O)[O-] ZINC000544351188 940397716 /nfs/dbraw/zinc/39/77/16/940397716.db2.gz QSUYWWWMCOKXGW-UHFFFAOYSA-N 0 0 419.228 4.232 20 5 HIBDRN Cc1c(Br)c(NCc2cccc(OCC(F)F)c2)ncc1[N+](=O)[O-] ZINC000544395701 940411502 /nfs/dbraw/zinc/41/15/02/940411502.db2.gz ZMCNYXZVSGHYPC-UHFFFAOYSA-N 0 0 402.195 4.317 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000544415454 940417034 /nfs/dbraw/zinc/41/70/34/940417034.db2.gz QRZKLPXBUNCPJF-XLIONFOSSA-N 0 0 424.432 4.031 20 5 HIBDRN Cc1cc(N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000544415746 940417611 /nfs/dbraw/zinc/41/76/11/940417611.db2.gz PRNFDXSOLHKGCF-AZUAARDMSA-N 0 0 408.433 4.253 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC000544418968 940418834 /nfs/dbraw/zinc/41/88/34/940418834.db2.gz ZAMZMPVEKVLUBD-QWHCGFSZSA-N 0 0 412.421 4.327 20 5 HIBDRN C[C@@H](C(=O)NC1(c2ccc(Cl)cc2)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000544423416 940422168 /nfs/dbraw/zinc/42/21/68/940422168.db2.gz QCVFDPVPCVKOST-CYBMUJFWSA-N 0 0 406.841 4.313 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1CN1CCSCC1)c1ccc([N+](=O)[O-])cc1F ZINC000544426694 940425100 /nfs/dbraw/zinc/42/51/00/940425100.db2.gz CXHLEYRVHFBNER-AWEZNQCLSA-N 0 0 403.479 4.025 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(Cc2nnc3ccccn32)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000544442786 940432826 /nfs/dbraw/zinc/43/28/26/940432826.db2.gz BDTGGPPUVMOHHI-CQSZACIVSA-N 0 0 419.416 4.110 20 5 HIBDRN C[C@H](C(=O)Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000544444045 940433512 /nfs/dbraw/zinc/43/35/12/940433512.db2.gz LCKFXZFWINFLQG-JTQLQIEISA-N 0 0 404.398 4.058 20 5 HIBDRN CC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000544453922 940437517 /nfs/dbraw/zinc/43/75/17/940437517.db2.gz YAUAVDPSSILDHE-SNVBAGLBSA-N 0 0 402.398 4.058 20 5 HIBDRN CC[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1nc(C(F)(F)F)cs1 ZINC000544461646 940441003 /nfs/dbraw/zinc/44/10/03/940441003.db2.gz PELJSRMFCKBHIA-NSHDSACASA-N 0 0 413.381 4.361 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3-n3cccn3)no2)ccc1N1CCCC1 ZINC000544476208 940448134 /nfs/dbraw/zinc/44/81/34/940448134.db2.gz IBLJSYWZBHYATA-UHFFFAOYSA-N 0 0 402.414 4.098 20 5 HIBDRN O=C(Nc1ncc(-c2ccccn2)s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000563906762 945322505 /nfs/dbraw/zinc/32/25/05/945322505.db2.gz ZYGNIEGLLAASJG-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN C[C@H](C(=O)NCc1ccnc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544508101 940460829 /nfs/dbraw/zinc/46/08/29/940460829.db2.gz UQEHUXFKJYBYPK-HNNXBMFYSA-N 0 0 409.417 4.128 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NCc3nc(-c4cccc([N+](=O)[O-])c4)no3)n2)cc1 ZINC000544518696 940469576 /nfs/dbraw/zinc/46/95/76/940469576.db2.gz BMQMNBDRYZRNHF-CYBMUJFWSA-N 0 0 420.429 4.108 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@H](CCc2ccccc2)C1 ZINC000544535571 940474251 /nfs/dbraw/zinc/47/42/51/940474251.db2.gz MMTTWKKEJHCVCY-MRXNPFEDSA-N 0 0 421.400 4.062 20 5 HIBDRN C[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccon1 ZINC000544546627 940476209 /nfs/dbraw/zinc/47/62/09/940476209.db2.gz BQACBHRBOYQYPX-KPZWWZAWSA-N 0 0 400.822 4.267 20 5 HIBDRN CCOc1ccc(C(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)cc1[N+](=O)[O-] ZINC000563914202 945324092 /nfs/dbraw/zinc/32/40/92/945324092.db2.gz PCBTWCFGTLFLFI-UHFFFAOYSA-N 0 0 422.466 4.333 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccncc2)cs1 ZINC000544558001 940478494 /nfs/dbraw/zinc/47/84/94/940478494.db2.gz GVSVCHUTUDMRKE-VXGBXAGGSA-N 0 0 400.435 4.233 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(-c2cccc(OCC(F)(F)F)c2)n1 ZINC000544594473 940486716 /nfs/dbraw/zinc/48/67/16/940486716.db2.gz URYWJQWZTVHZLQ-UHFFFAOYSA-N 0 0 408.336 4.241 20 5 HIBDRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000544626254 940493556 /nfs/dbraw/zinc/49/35/56/940493556.db2.gz OJAVJJQVJXKJAA-UHFFFAOYSA-N 0 0 416.331 4.127 20 5 HIBDRN C[C@H]1C[C@H](c2cccnc2)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000544671941 940500935 /nfs/dbraw/zinc/50/09/35/940500935.db2.gz KGJQZLZAGOYCBE-IINYFYTJSA-N 0 0 416.286 4.068 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000544680229 940501931 /nfs/dbraw/zinc/50/19/31/940501931.db2.gz NGLXKCZDEBAIFK-UHFFFAOYSA-N 0 0 418.203 4.035 20 5 HIBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000544743798 940510118 /nfs/dbraw/zinc/51/01/18/940510118.db2.gz GXVAKBDAVPNKQD-UHFFFAOYSA-N 0 0 424.269 4.178 20 5 HIBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000544758252 940511365 /nfs/dbraw/zinc/51/13/65/940511365.db2.gz FNMILXASXBGAAB-CYBMUJFWSA-N 0 0 411.487 4.146 20 5 HIBDRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563925929 945327782 /nfs/dbraw/zinc/32/77/82/945327782.db2.gz CQKDWILZGPVQED-VXGBXAGGSA-N 0 0 409.255 4.347 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1nnc(-c2ccccn2)s1 ZINC000544858214 940519874 /nfs/dbraw/zinc/51/98/74/940519874.db2.gz DZAWOAFMJSNRFY-UHFFFAOYSA-N 0 0 410.381 4.051 20 5 HIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000544868044 940520389 /nfs/dbraw/zinc/52/03/89/940520389.db2.gz TXUZEPGRDCBPHH-GOSISDBHSA-N 0 0 419.359 4.309 20 5 HIBDRN O=[N+]([O-])c1ccccc1Cc1noc(-c2cncc(-c3ccc4c(c3)CCO4)c2)n1 ZINC000544906510 940523838 /nfs/dbraw/zinc/52/38/38/940523838.db2.gz QKUWEWRERXCKBQ-UHFFFAOYSA-N 0 0 400.394 4.233 20 5 HIBDRN O=c1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cn1Cc1ccccc1Cl ZINC000544911513 940524379 /nfs/dbraw/zinc/52/43/79/940524379.db2.gz CPRRPPKIXZCNPI-UHFFFAOYSA-N 0 0 422.828 4.099 20 5 HIBDRN O=[N+]([O-])c1cccc(OCc2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)c1 ZINC000544918675 940525299 /nfs/dbraw/zinc/52/52/99/940525299.db2.gz WPVXBMBVFQTJLY-UHFFFAOYSA-N 0 0 403.778 4.039 20 5 HIBDRN Nc1ccc(-c2noc(-c3ccc(NC(=O)c4ccccc4)cc3)n2)cc1[N+](=O)[O-] ZINC000544932909 940526532 /nfs/dbraw/zinc/52/65/32/940526532.db2.gz HJCHXMZECVNYAR-UHFFFAOYSA-N 0 0 401.382 4.146 20 5 HIBDRN CCOc1ccccc1-c1noc(CSCc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000544970794 940529789 /nfs/dbraw/zinc/52/97/89/940529789.db2.gz JCPGSSFZVNMZBH-UHFFFAOYSA-N 0 0 401.444 4.486 20 5 HIBDRN CCOc1ccc(-c2nc(Cc3cc(Cl)c4c(c3)OCCO4)no2)cc1[N+](=O)[O-] ZINC000544992216 940531433 /nfs/dbraw/zinc/53/14/33/940531433.db2.gz GUNCNZWADPIINL-UHFFFAOYSA-N 0 0 417.805 4.059 20 5 HIBDRN CCOc1ccc(-c2nc(CCc3ccc(OC(F)F)cc3)no2)cc1[N+](=O)[O-] ZINC000544999873 940532230 /nfs/dbraw/zinc/53/22/30/940532230.db2.gz SFQWNTHSBMVFDM-UHFFFAOYSA-N 0 0 405.357 4.430 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(Cc3ccc(F)c(F)c3)n2)c(Br)c1 ZINC000545007231 940532946 /nfs/dbraw/zinc/53/29/46/940532946.db2.gz LXRLJGIDIMDICK-UHFFFAOYSA-N 0 0 410.174 4.200 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CCOc4ccccc43)n2)c(Br)c1 ZINC000545012211 940533460 /nfs/dbraw/zinc/53/34/60/940533460.db2.gz ANQRJMXMZRUHOP-CQSZACIVSA-N 0 0 416.231 4.246 20 5 HIBDRN COc1cccc2[nH]cc(Cc3noc(-c4ccc(OC(F)F)c([N+](=O)[O-])c4)n3)c21 ZINC000545025272 940534588 /nfs/dbraw/zinc/53/45/88/940534588.db2.gz XSJPFAUQNFPGHX-UHFFFAOYSA-N 0 0 416.340 4.327 20 5 HIBDRN COc1cc(Cc2noc(Cc3csc(-c4ccccc4)n3)n2)ccc1[N+](=O)[O-] ZINC000545074194 940539598 /nfs/dbraw/zinc/53/95/98/940539598.db2.gz LCLJSHWSGPTLJP-UHFFFAOYSA-N 0 0 408.439 4.292 20 5 HIBDRN Cc1cc(Cc2noc(CCCc3nc(-c4ccc(F)cc4)no3)n2)ccc1[N+](=O)[O-] ZINC000545074862 940539663 /nfs/dbraw/zinc/53/96/63/940539663.db2.gz BBAFPGAXTMPSIV-UHFFFAOYSA-N 0 0 423.404 4.241 20 5 HIBDRN Cc1c(Cc2noc(-c3nc(C(C)C)n(-c4cccc(F)c4)n3)n2)cccc1[N+](=O)[O-] ZINC000545076496 940539893 /nfs/dbraw/zinc/53/98/93/940539893.db2.gz HJRVVQLXVCITNN-UHFFFAOYSA-N 0 0 422.420 4.387 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(COc3ccc4oc5c(c4c3)CCCC5)n2)nc1 ZINC000545078114 940540185 /nfs/dbraw/zinc/54/01/85/940540185.db2.gz CJXDYPGHMICJCF-UHFFFAOYSA-N 0 0 406.398 4.168 20 5 HIBDRN CS[C@H]1C(=O)Nc2ccc(-c3noc(Cc4ccc([N+](=O)[O-])cc4Cl)n3)cc21 ZINC000545090622 940541614 /nfs/dbraw/zinc/54/16/14/940541614.db2.gz VVZSFHHMBZTFLX-MRXNPFEDSA-N 0 0 416.846 4.245 20 5 HIBDRN C[C@@H](C(=O)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000545108347 940543345 /nfs/dbraw/zinc/54/33/45/940543345.db2.gz HOHKUBYQCQPGQU-BLVKFPJESA-N 0 0 416.840 4.130 20 5 HIBDRN CCO[C@H](C)c1nc(CN(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000545121450 940544710 /nfs/dbraw/zinc/54/47/10/940544710.db2.gz KTYGZJJXBHLDNZ-GFCCVEGCSA-N 0 0 409.483 4.224 20 5 HIBDRN CC(C)(C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000545122034 940544816 /nfs/dbraw/zinc/54/48/16/940544816.db2.gz XDTVJUFKYGYUHF-UHFFFAOYSA-N 0 0 413.449 4.276 20 5 HIBDRN C[C@H](c1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1)N1CCOCC1 ZINC000545125123 940545181 /nfs/dbraw/zinc/54/51/81/940545181.db2.gz DXLLLYJHHZIVCQ-OAHLLOKOSA-N 0 0 415.465 4.043 20 5 HIBDRN Cc1cc(C)c(C(=O)[C@H](C)Sc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)cc1C ZINC000545131624 940546752 /nfs/dbraw/zinc/54/67/52/940546752.db2.gz KRLAJADOWSWWSE-AWEZNQCLSA-N 0 0 411.483 4.130 20 5 HIBDRN Cc1ccc(Sc2ccc(-c3nc(Cc4cncn4C)no3)cc2[N+](=O)[O-])cc1 ZINC000545137841 940547884 /nfs/dbraw/zinc/54/78/84/940547884.db2.gz JWDONYVRNVCNGH-UHFFFAOYSA-N 0 0 407.455 4.429 20 5 HIBDRN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)CC3 ZINC000545138270 940548126 /nfs/dbraw/zinc/54/81/26/940548126.db2.gz SBLHJTZDVLYGKF-AWEZNQCLSA-N 0 0 409.461 4.475 20 5 HIBDRN Cc1c(Cc2nc(-c3ccc(C(=O)N4CCC[C@@H]4C)cc3)no2)cccc1[N+](=O)[O-] ZINC000545143027 940549288 /nfs/dbraw/zinc/54/92/88/940549288.db2.gz XWHMVMHPAJRCNW-AWEZNQCLSA-N 0 0 406.442 4.169 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(Cc4cccc(Br)c4)n3)c2c1 ZINC000545145419 940550277 /nfs/dbraw/zinc/55/02/77/940550277.db2.gz KKXYRBXNMHPNHS-UHFFFAOYSA-N 0 0 413.231 4.403 20 5 HIBDRN Cc1cc(Cc2noc([C@H]3CCN(c4ccc(Cl)cc4)C3=O)n2)ccc1[N+](=O)[O-] ZINC000545145576 940550637 /nfs/dbraw/zinc/55/06/37/940550637.db2.gz KOXMZMBGOIQCBL-MRXNPFEDSA-N 0 0 412.833 4.051 20 5 HIBDRN CC(C)(C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000545150430 940551426 /nfs/dbraw/zinc/55/14/26/940551426.db2.gz ZKECDZDTWJBANC-OAHLLOKOSA-N 0 0 416.424 4.272 20 5 HIBDRN CC(C)(C(=O)NCCc1coc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000545153715 940551978 /nfs/dbraw/zinc/55/19/78/940551978.db2.gz SIABCSFKASLTCD-UHFFFAOYSA-N 0 0 415.396 4.165 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCC(C)(CO)CC3)cc2[N+](=O)[O-])cc1 ZINC000545161932 940552759 /nfs/dbraw/zinc/55/27/59/940552759.db2.gz QBRWWHLCWVWFBL-UHFFFAOYSA-N 0 0 400.500 4.289 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000545199228 940555641 /nfs/dbraw/zinc/55/56/41/940555641.db2.gz KLOXKLIQPQDRKX-KDOFPFPSSA-N 0 0 410.392 4.032 20 5 HIBDRN COC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1C ZINC000545222135 940556880 /nfs/dbraw/zinc/55/68/80/940556880.db2.gz WQUHECZMQIYPBS-UHFFFAOYSA-N 0 0 414.748 4.197 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC000545250939 940558742 /nfs/dbraw/zinc/55/87/42/940558742.db2.gz NVDWCPSZZAZKHY-UHFFFAOYSA-N 0 0 403.410 4.370 20 5 HIBDRN Cc1cc(Br)cn2cc(CCNc3ncc([N+](=O)[O-])cc3Cl)nc12 ZINC000545348848 940563776 /nfs/dbraw/zinc/56/37/76/940563776.db2.gz OUUYKMYKKKIJLL-UHFFFAOYSA-N 0 0 410.659 4.016 20 5 HIBDRN CC(C)[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000545362843 940565555 /nfs/dbraw/zinc/56/55/55/940565555.db2.gz DFNMARODJRSBLD-QGZVFWFLSA-N 0 0 416.421 4.430 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3c(F)cc(F)cc32)c(C(F)(F)F)c1 ZINC000545379180 940567165 /nfs/dbraw/zinc/56/71/65/940567165.db2.gz ZEMJEMGQZCFAFA-UHFFFAOYSA-N 0 0 422.331 4.033 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000545387164 940567850 /nfs/dbraw/zinc/56/78/50/940567850.db2.gz ODWPZOZGZABPPO-GOSISDBHSA-N 0 0 420.537 4.195 20 5 HIBDRN Cc1cc(Br)cn2cc(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc12 ZINC000545459512 940570885 /nfs/dbraw/zinc/57/08/85/940570885.db2.gz APMBGDZDBOZJEZ-CYBMUJFWSA-N 0 0 403.280 4.473 20 5 HIBDRN CCOc1c(Cl)cc(-c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1OC ZINC000545529299 940573343 /nfs/dbraw/zinc/57/33/43/940573343.db2.gz AZKABFCUUIZLJL-UHFFFAOYSA-N 0 0 415.793 4.249 20 5 HIBDRN COC(=O)c1cc(-c2nc(CSc3ccc(Cl)cc3)no2)cc([N+](=O)[O-])c1 ZINC000545529433 940573431 /nfs/dbraw/zinc/57/34/31/940573431.db2.gz FLRUHXWFRSGHFS-UHFFFAOYSA-N 0 0 405.819 4.377 20 5 HIBDRN NC(=O)c1ccc(SCc2nc(-c3ccccc3C(F)(F)F)no2)c([N+](=O)[O-])c1 ZINC000545541100 940574026 /nfs/dbraw/zinc/57/40/26/940574026.db2.gz DVBICIJBHRWJGT-UHFFFAOYSA-N 0 0 424.360 4.055 20 5 HIBDRN COc1ccc(-c2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)cc1[N+](=O)[O-] ZINC000545541986 940574076 /nfs/dbraw/zinc/57/40/76/940574076.db2.gz QEWVCLASXFRVOD-UHFFFAOYSA-N 0 0 403.778 4.135 20 5 HIBDRN Nc1ccc(-c2noc([C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000545551067 940574409 /nfs/dbraw/zinc/57/44/09/940574409.db2.gz LAYJDIMMILZYBH-NEPJUHHUSA-N 0 0 406.320 4.397 20 5 HIBDRN O=C(N[C@H](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1)c1ccccc1 ZINC000545552449 940574493 /nfs/dbraw/zinc/57/44/93/940574493.db2.gz HXCHDNHFQZGARL-HXUWFJFHSA-N 0 0 414.421 4.359 20 5 HIBDRN O=C1[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000545552789 940574527 /nfs/dbraw/zinc/57/45/27/940574527.db2.gz MSCWLUFJSPYOBA-ZDUSSCGKSA-N 0 0 419.224 4.472 20 5 HIBDRN O=[N+]([O-])c1cccc(OCc2nc(Cc3cc(Br)ccc3F)no2)c1 ZINC000545575322 940575485 /nfs/dbraw/zinc/57/54/85/940575485.db2.gz QPEJGSCLWUZKAL-UHFFFAOYSA-N 0 0 408.183 4.049 20 5 HIBDRN COc1cc(-c2noc(-c3cc([N+](=O)[O-])ccc3C)n2)ccc1OC[C@H]1CCCO1 ZINC000545574740 940575517 /nfs/dbraw/zinc/57/55/17/940575517.db2.gz DUCRZGVMWSUHOM-MRXNPFEDSA-N 0 0 411.414 4.187 20 5 HIBDRN COc1cc(Cc2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)ccc1C ZINC000545592167 940576272 /nfs/dbraw/zinc/57/62/72/940576272.db2.gz NYFNZKCMYLOSKM-UHFFFAOYSA-N 0 0 411.461 4.494 20 5 HIBDRN O=[N+]([O-])c1cccc(CCc2nc(Cc3ccc(OCc4ccncc4)cc3)no2)c1 ZINC000545621744 940577723 /nfs/dbraw/zinc/57/77/23/940577723.db2.gz GBFFQTDPCLEAMU-UHFFFAOYSA-N 0 0 416.437 4.328 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OCC(F)(F)F ZINC000545642868 940578638 /nfs/dbraw/zinc/57/86/38/940578638.db2.gz WLLLQSSVHDMIKE-UHFFFAOYSA-N 0 0 409.320 4.185 20 5 HIBDRN Cc1c[nH]c(=O)n1-c1cccc(-c2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC000545653975 940578994 /nfs/dbraw/zinc/57/89/94/940578994.db2.gz MUZPFEWFDPLSIZ-LBPRGKRZSA-N 0 0 409.377 4.135 20 5 HIBDRN Cc1c(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cnn1-c1cccc(Cl)c1 ZINC000545670140 940579806 /nfs/dbraw/zinc/57/98/06/940579806.db2.gz UBAVWZROAMKPMK-UHFFFAOYSA-N 0 0 424.848 4.447 20 5 HIBDRN Cc1cc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c2c(n1)onc2C(C)C ZINC000545671789 940579917 /nfs/dbraw/zinc/57/99/17/940579917.db2.gz JIHYMFDQXQWIRZ-UHFFFAOYSA-N 0 0 408.418 4.267 20 5 HIBDRN Cc1ccc(-c2nc(Cc3cc4c(cc3Br)OCO4)no2)cc1[N+](=O)[O-] ZINC000545681746 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O=[N+]([O-])c1ccc(Cc2noc(/C=C\c3cc(Br)ccc3F)n2)nc1 ZINC000545782003 940588958 /nfs/dbraw/zinc/58/89/58/940588958.db2.gz UUSRXGNWALPLST-BHQIHCQQSA-N 0 0 405.183 4.036 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4COc5ccc(Cl)cc5C4)n3)c2c1 ZINC000545785295 940591545 /nfs/dbraw/zinc/59/15/45/940591545.db2.gz GJWXDGBIKOUONE-ZDUSSCGKSA-N 0 0 410.817 4.422 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(/C=C/c2nc([C@H]3CN(C4CC4)CCO3)no2)s1 ZINC000545794612 940598301 /nfs/dbraw/zinc/59/83/01/940598301.db2.gz ILNQOHKOLMDNNX-XSFOEPMVSA-N 0 0 424.482 4.412 20 5 HIBDRN CS[C@@H]1C(=O)Nc2ccc(-c3noc(Cn4ccc5cc([N+](=O)[O-])ccc54)n3)cc21 ZINC000545796351 940599042 /nfs/dbraw/zinc/59/90/42/940599042.db2.gz KAYFEIZSJVHKCY-SFHVURJKSA-N 0 0 421.438 4.004 20 5 HIBDRN COc1cc(-c2nc(-c3ccc(OC4CCCC4)nc3)no2)cc([N+](=O)[O-])c1OC ZINC000545795964 940599048 /nfs/dbraw/zinc/59/90/48/940599048.db2.gz BWTUJYAONDUUAT-UHFFFAOYSA-N 0 0 412.402 4.045 20 5 HIBDRN C[C@H]1CO[C@H](c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)CN1Cc1ccccc1 ZINC000545812469 940608507 /nfs/dbraw/zinc/60/85/07/940608507.db2.gz HOJAGROJOBQNEF-OWWRJGHASA-N 0 0 424.432 4.249 20 5 HIBDRN CC(C)(C(=O)NCc1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000545823004 940614937 /nfs/dbraw/zinc/61/49/37/940614937.db2.gz BJSDKPFXOHSYTO-UHFFFAOYSA-N 0 0 413.218 4.230 20 5 HIBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CC(=O)N(Cc3ccccc3)C2)no1 ZINC000545837496 940623733 /nfs/dbraw/zinc/62/37/33/940623733.db2.gz OWGPFLVDCHYWNY-HAZIXKIPSA-N 0 0 404.426 4.054 20 5 HIBDRN CC(C)n1c(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)nc2ccccc21 ZINC000545856197 940639881 /nfs/dbraw/zinc/63/98/81/940639881.db2.gz HQMRPZZNHONJQW-UHFFFAOYSA-N 0 0 412.465 4.301 20 5 HIBDRN Cc1ccccc1NC(=O)Cc1nc(COc2c(F)cccc2[N+](=O)[O-])cs1 ZINC000545914766 940657217 /nfs/dbraw/zinc/65/72/17/940657217.db2.gz IIDKJBSNGVMGPL-UHFFFAOYSA-N 0 0 401.419 4.259 20 5 HIBDRN Cc1ncc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000545961001 940666002 /nfs/dbraw/zinc/66/60/02/940666002.db2.gz MHUWHALUKMAHKG-ZIAGYGMSSA-N 0 0 409.490 4.305 20 5 HIBDRN CSc1nnc(CCCNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)n1C1CCCC1 ZINC000546035980 940678780 /nfs/dbraw/zinc/67/87/80/940678780.db2.gz ZESILKMEKGAFAF-UHFFFAOYSA-N 0 0 418.523 4.086 20 5 HIBDRN CCC1(CC)CN(C(=O)c2cc([N+](=O)[O-])cnc2N)c2ccc(Br)cc21 ZINC000546144523 940712434 /nfs/dbraw/zinc/71/24/34/940712434.db2.gz FOAHKDWXESIOKZ-UHFFFAOYSA-N 0 0 419.279 4.053 20 5 HIBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000546148797 940713491 /nfs/dbraw/zinc/71/34/91/940713491.db2.gz YNVLXZDEUUTTCX-IBGZPJMESA-N 0 0 408.845 4.165 20 5 HIBDRN CCCc1c(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cnn1-c1cc(C)ccn1 ZINC000546196511 940726471 /nfs/dbraw/zinc/72/64/71/940726471.db2.gz WDQOYSPIIJHZIK-UHFFFAOYSA-N 0 0 422.489 4.267 20 5 HIBDRN Cc1c(I)cccc1-c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000546242614 940743127 /nfs/dbraw/zinc/74/31/27/940743127.db2.gz RUDFGXBGGHHVCD-UHFFFAOYSA-N 0 0 421.194 4.149 20 5 HIBDRN O=[N+]([O-])c1ccccc1Cc1noc(Cc2c[nH]c3cc(Br)ccc23)n1 ZINC000546243895 940744720 /nfs/dbraw/zinc/74/47/20/940744720.db2.gz ZPOSRBGIIBQWBO-UHFFFAOYSA-N 0 0 413.231 4.403 20 5 HIBDRN CCc1nc(COc2ccc(-c3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)cc2)no1 ZINC000546277963 940758892 /nfs/dbraw/zinc/75/88/92/940758892.db2.gz HKXXHRMLRKDZNT-UHFFFAOYSA-N 0 0 407.386 4.145 20 5 HIBDRN Cc1ccc(-c2noc([C@@H]3COc4ccc(Br)cc43)n2)cc1[N+](=O)[O-] ZINC000546279881 940760832 /nfs/dbraw/zinc/76/08/32/940760832.db2.gz OKDYTULVKVOFTR-CYBMUJFWSA-N 0 0 402.204 4.240 20 5 HIBDRN CNc1ccc(-c2nc(Cc3ccc(OCc4ccccn4)cc3)no2)cc1[N+](=O)[O-] ZINC000546280653 940761238 /nfs/dbraw/zinc/76/12/38/940761238.db2.gz UPJXZUOHEOOJFR-UHFFFAOYSA-N 0 0 417.425 4.251 20 5 HIBDRN O=C1CCCN1c1cccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 ZINC000546285466 940764421 /nfs/dbraw/zinc/76/44/21/940764421.db2.gz XFTHFIBAKRELRG-UHFFFAOYSA-N 0 0 419.441 4.039 20 5 HIBDRN O=[N+]([O-])c1ccc2c(ccn2Cc2nc(Cc3ccccc3Br)no2)c1 ZINC000546291565 940766876 /nfs/dbraw/zinc/76/68/76/940766876.db2.gz BOHYFXSNYKUPAF-UHFFFAOYSA-N 0 0 413.231 4.334 20 5 HIBDRN CN(Cc1nc(Cc2ccc(OC(F)(F)F)cc2)no1)c1ccccc1[N+](=O)[O-] ZINC000546318821 940781782 /nfs/dbraw/zinc/78/17/82/940781782.db2.gz OTVLGOCGSCHHJA-UHFFFAOYSA-N 0 0 408.336 4.104 20 5 HIBDRN O=[N+]([O-])c1cccc(CCc2nc(Cc3ccc(OCc4cccnc4)cc3)no2)c1 ZINC000546330033 940788615 /nfs/dbraw/zinc/78/86/15/940788615.db2.gz RUZSGIFLFPFCFH-UHFFFAOYSA-N 0 0 416.437 4.328 20 5 HIBDRN COc1ccc(Cc2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)cc1OC(F)F ZINC000546361657 940801812 /nfs/dbraw/zinc/80/18/12/940801812.db2.gz UXSMJAPGYOMEKG-UHFFFAOYSA-N 0 0 416.340 4.327 20 5 HIBDRN Cc1oc(-c2ccsc2)nc1Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000546377080 940805339 /nfs/dbraw/zinc/80/53/39/940805339.db2.gz SIWNFSUNCOGGAM-UHFFFAOYSA-N 0 0 411.443 4.248 20 5 HIBDRN COc1ccc2nc(C)cc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)c2c1 ZINC000546378564 940805716 /nfs/dbraw/zinc/80/57/16/940805716.db2.gz RCDFKEJPMMIYGA-UHFFFAOYSA-N 0 0 405.414 4.165 20 5 HIBDRN Cc1oc(-c2cccs2)nc1Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000546380450 940806140 /nfs/dbraw/zinc/80/61/40/940806140.db2.gz UPBSCXYSPJEOBP-UHFFFAOYSA-N 0 0 411.443 4.248 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2csc(-c3ccc4c(c3)OCO4)n2)n1 ZINC000546398172 940810196 /nfs/dbraw/zinc/81/01/96/940810196.db2.gz UWTKSBHEMNMFLQ-UHFFFAOYSA-N 0 0 422.422 4.396 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc([C@H]3OCCc4ccccc43)no2)c2ccccc12 ZINC000546429589 940818086 /nfs/dbraw/zinc/81/80/86/940818086.db2.gz OFNWXPPZNLKKFV-DEOSSOPVSA-N 0 0 409.445 4.248 20 5 HIBDRN COc1cc(-c2nc(CCc3ccc(OC(F)F)cc3)no2)cc([N+](=O)[O-])c1OC ZINC000546459005 940825343 /nfs/dbraw/zinc/82/53/43/940825343.db2.gz WCRBIDUNCWHHSF-UHFFFAOYSA-N 0 0 421.356 4.049 20 5 HIBDRN C/C(=C\c1nc(-c2ccc(C)cc2N2CCOCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000546472664 940829679 /nfs/dbraw/zinc/82/96/79/940829679.db2.gz 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O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(CSc4nc5ccccc5o4)n3)c2c1 ZINC000546494111 940835873 /nfs/dbraw/zinc/83/58/73/940835873.db2.gz KEARODCDSZCQDN-UHFFFAOYSA-N 0 0 407.411 4.483 20 5 HIBDRN CC(C)(C)c1nc(Cc2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cs1 ZINC000546509975 940839486 /nfs/dbraw/zinc/83/94/86/940839486.db2.gz GQAVJVQINSJSDC-UHFFFAOYSA-N 0 0 410.459 4.175 20 5 HIBDRN C[C@@H](Nc1ccc(-c2nc([C@@H]3CCO[C@H](C)C3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000546510434 940839591 /nfs/dbraw/zinc/83/95/91/940839591.db2.gz MLGOQOOLCOVHDL-RBSFLKMASA-N 0 0 409.446 4.495 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccncc3N3CCCC3)no2)c(Br)c1 ZINC000546525499 940843757 /nfs/dbraw/zinc/84/37/57/940843757.db2.gz PUICDNGCRSTPJU-UHFFFAOYSA-N 0 0 416.235 4.070 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000546529652 940845249 /nfs/dbraw/zinc/84/52/49/940845249.db2.gz MAVHVNSNNNPKNK-QZTJIDSGSA-N 0 0 424.831 4.450 20 5 HIBDRN CC(C)(C(=O)NCc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000546534660 940846512 /nfs/dbraw/zinc/84/65/12/940846512.db2.gz AXALNQMUTXMFJM-UHFFFAOYSA-N 0 0 414.355 4.269 20 5 HIBDRN Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000546536134 940846797 /nfs/dbraw/zinc/84/67/97/940846797.db2.gz NLFAMQJQOFHLDS-SFHVURJKSA-N 0 0 401.466 4.424 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)CO1 ZINC000546537345 940847094 /nfs/dbraw/zinc/84/70/94/940847094.db2.gz JUZLYCFHSLBNGQ-FOIQADDNSA-N 0 0 400.450 4.309 20 5 HIBDRN CC(C)(C(=O)NCCc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000546540311 940847467 /nfs/dbraw/zinc/84/74/67/940847467.db2.gz LIXVHVSIFQXIKZ-UHFFFAOYSA-N 0 0 414.355 4.269 20 5 HIBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OCC1CCN(C(=O)C(C)(C)C)CC1 ZINC000546542727 940847863 /nfs/dbraw/zinc/84/78/63/940847863.db2.gz CMGPQAXGXMPXJI-UHFFFAOYSA-N 0 0 413.312 4.329 20 5 HIBDRN CSc1ccc(N2C[C@H](c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)CC2=O)cc1 ZINC000546558551 940852527 /nfs/dbraw/zinc/85/25/27/940852527.db2.gz 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ZINC000554775395 942231623 /nfs/dbraw/zinc/23/16/23/942231623.db2.gz CTUYUMKTOQMTMH-KBAYOESNSA-N 0 0 400.500 4.398 20 5 HIBDRN Cc1cc(-c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)ccc1F ZINC000554784821 942235373 /nfs/dbraw/zinc/23/53/73/942235373.db2.gz YLQUKKWUSYOAKL-GOSISDBHSA-N 0 0 410.405 4.378 20 5 HIBDRN C[C@@H](Oc1ccccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(F)(F)F ZINC000554792867 942241069 /nfs/dbraw/zinc/24/10/69/942241069.db2.gz CYYBCTDAABIGBB-GFCCVEGCSA-N 0 0 420.347 4.362 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000554865554 942298841 /nfs/dbraw/zinc/29/88/41/942298841.db2.gz OBVMWGXXKUIYOL-NRFANRHFSA-N 0 0 419.437 4.103 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)c1 ZINC000554872549 942302406 /nfs/dbraw/zinc/30/24/06/942302406.db2.gz WMRFAPIXIJLSOM-LBPRGKRZSA-N 0 0 412.364 4.210 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(c2ccc(Br)cn2)C(C)C)c1 ZINC000554872593 942302810 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ZINC000557156519 943033962 /nfs/dbraw/zinc/03/39/62/943033962.db2.gz FCJFLUAZLHWRBL-UHFFFAOYSA-N 0 0 419.485 4.258 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3c(O)cccc3Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000557183454 943043377 /nfs/dbraw/zinc/04/33/77/943043377.db2.gz ISQMLNRDANYQBO-UHFFFAOYSA-N 0 0 400.822 4.068 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3ccc(Br)cc3)c2)n1 ZINC000557361893 943086664 /nfs/dbraw/zinc/08/66/64/943086664.db2.gz IJLIGITVCSEBNY-UHFFFAOYSA-N 0 0 401.220 4.010 20 5 HIBDRN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557362408 943088124 /nfs/dbraw/zinc/08/81/24/943088124.db2.gz FXEHPNLUKBFNEX-QGZVFWFLSA-N 0 0 419.481 4.454 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC(C)(C)[C@@H]3c3cccnc3)cc2)c(C)c1[N+](=O)[O-] ZINC000557379555 943093154 /nfs/dbraw/zinc/09/31/54/943093154.db2.gz JRMIAVLJGGKIGB-NRFANRHFSA-N 0 0 419.485 4.075 20 5 HIBDRN CCCc1n[nH]c(C(=O)N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000557458166 943138962 /nfs/dbraw/zinc/13/89/62/943138962.db2.gz WIYSODBHHGFZHQ-KBPBESRZSA-N 0 0 410.396 4.355 20 5 HIBDRN CC[C@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)OCCO2 ZINC000557483777 943160309 /nfs/dbraw/zinc/16/03/09/943160309.db2.gz UVTROGVAYKKKSG-DYVFJYSZSA-N 0 0 410.430 4.218 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000557556752 943207511 /nfs/dbraw/zinc/20/75/11/943207511.db2.gz GMYUPPGBCPVPSJ-SWLSCSKDSA-N 0 0 420.453 4.120 20 5 HIBDRN CC[C@@H](c1nnc(Sc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])o1)c1ccccc1 ZINC000557560823 943208664 /nfs/dbraw/zinc/20/86/64/943208664.db2.gz JAKUTSASTUCYLG-CYBMUJFWSA-N 0 0 414.443 4.161 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000557562275 943210582 /nfs/dbraw/zinc/21/05/82/943210582.db2.gz ZRIIKCSUUGTREG-NOOVBMIQSA-N 0 0 412.511 4.107 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000557569035 943212784 /nfs/dbraw/zinc/21/27/84/943212784.db2.gz JUCNWCTZHFZEFG-HNNXBMFYSA-N 0 0 402.520 4.160 20 5 HIBDRN CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccc(Br)cc21 ZINC000557577359 943216852 /nfs/dbraw/zinc/21/68/52/943216852.db2.gz IMELGDGKXCYKJV-UHFFFAOYSA-N 0 0 410.655 4.107 20 5 HIBDRN C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000557607177 943228721 /nfs/dbraw/zinc/22/87/21/943228721.db2.gz JCLDOBARDHNVCT-GHMZBOCLSA-N 0 0 406.364 4.867 20 5 HIBDRN CC[C@@](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)(C(=O)OC)c1ccc(Cl)cc1 ZINC000557627967 943237656 /nfs/dbraw/zinc/23/76/56/943237656.db2.gz NFRMOOGMFYOIEA-SFHVURJKSA-N 0 0 411.241 4.110 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000557627824 943237904 /nfs/dbraw/zinc/23/79/04/943237904.db2.gz MVCFMNWSRBTZIF-QGZVFWFLSA-N 0 0 420.453 4.407 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCc3ccc(Br)cc3C2)c(Br)c1 ZINC000557672127 943255004 /nfs/dbraw/zinc/25/50/04/943255004.db2.gz FZAGRRZQZNUKDE-UHFFFAOYSA-N 0 0 413.069 4.078 20 5 HIBDRN Cc1sc(C(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1[N+](=O)[O-] ZINC000557745306 943277319 /nfs/dbraw/zinc/27/73/19/943277319.db2.gz OPEHPLGQTKVKNT-QGZVFWFLSA-N 0 0 414.405 4.115 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000557917472 943329011 /nfs/dbraw/zinc/32/90/11/943329011.db2.gz WZTAAZBSMVUTEV-UHFFFAOYSA-N 0 0 408.505 4.095 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(CC(C)C)c2C2CC2)cc1SC ZINC000557929557 943331134 /nfs/dbraw/zinc/33/11/34/943331134.db2.gz SKPXKBBCVGQFKC-UHFFFAOYSA-N 0 0 404.492 4.308 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000557962949 943341299 /nfs/dbraw/zinc/34/12/99/943341299.db2.gz UHHVFVQQHACJMW-CQSZACIVSA-N 0 0 409.408 4.429 20 5 HIBDRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000557969172 943342482 /nfs/dbraw/zinc/34/24/82/943342482.db2.gz IQFOXUVRZKPPAN-LLVKDONJSA-N 0 0 424.284 4.071 20 5 HIBDRN CCCCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000557997272 943350280 /nfs/dbraw/zinc/35/02/80/943350280.db2.gz OJTMUFBHYPCFEG-UHFFFAOYSA-N 0 0 417.535 4.450 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc(F)cc(F)c1Br ZINC000558165548 943405521 /nfs/dbraw/zinc/40/55/21/943405521.db2.gz QXBZXUGTDWBWNM-UHFFFAOYSA-N 0 0 407.117 4.095 20 5 HIBDRN Cc1onc(-c2ccccc2C)c1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558273059 943474424 /nfs/dbraw/zinc/47/44/24/943474424.db2.gz IMPIUFGXFPUSGW-UHFFFAOYSA-N 0 0 404.426 4.320 20 5 HIBDRN O=[N+]([O-])c1ccc2sc(-c3nc(-c4cn(Cc5ccccc5)nn4)no3)cc2c1 ZINC000558279918 943480284 /nfs/dbraw/zinc/48/02/84/943480284.db2.gz MKPLWPZSIDDNGM-UHFFFAOYSA-N 0 0 404.411 4.166 20 5 HIBDRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000558349588 943521220 /nfs/dbraw/zinc/52/12/20/943521220.db2.gz IKNCLUGVERVFGE-UHFFFAOYSA-N 0 0 422.388 4.125 20 5 HIBDRN CC(C)c1noc(-c2ccc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2)n1 ZINC000558358246 943523485 /nfs/dbraw/zinc/52/34/85/943523485.db2.gz FUNLQCDJKYAICD-UHFFFAOYSA-N 0 0 409.446 4.475 20 5 HIBDRN Cc1cc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)nn1-c1c(F)cccc1F ZINC000558362198 943526094 /nfs/dbraw/zinc/52/60/94/943526094.db2.gz FGHXVSJVWGRKFA-UHFFFAOYSA-N 0 0 411.368 4.316 20 5 HIBDRN CCn1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(=O)c2cc(Cl)ccc21 ZINC000558384371 943538255 /nfs/dbraw/zinc/53/82/55/943538255.db2.gz ZASOLKMGHIQJKD-UHFFFAOYSA-N 0 0 413.861 4.248 20 5 HIBDRN NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1F ZINC000558396718 943546825 /nfs/dbraw/zinc/54/68/25/943546825.db2.gz ITIIBPCBMMCSKU-UHFFFAOYSA-N 0 0 417.462 4.367 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(OC)cc2)cc1OC ZINC000558465872 943566812 /nfs/dbraw/zinc/56/68/12/943566812.db2.gz RDKJZGSBMKDUNT-AWEZNQCLSA-N 0 0 423.487 4.011 20 5 HIBDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000558485254 943572141 /nfs/dbraw/zinc/57/21/41/943572141.db2.gz SHNHZRRKPWNNPI-UHFFFAOYSA-N 0 0 412.490 4.186 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(c1cccs1)c1cccs1 ZINC000558526520 943589140 /nfs/dbraw/zinc/58/91/40/943589140.db2.gz NDPRCOYGNWNWSB-UHFFFAOYSA-N 0 0 415.496 4.125 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000558742530 943637434 /nfs/dbraw/zinc/63/74/34/943637434.db2.gz YSFDPFHWCAKMFM-UHFFFAOYSA-N 0 0 406.364 4.338 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000558747004 943639877 /nfs/dbraw/zinc/63/98/77/943639877.db2.gz BJMIZJKSKWYNKD-UHFFFAOYSA-N 0 0 405.838 4.116 20 5 HIBDRN COc1cc(CNc2ccc(OC(F)F)nc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000558790238 943664256 /nfs/dbraw/zinc/66/42/56/943664256.db2.gz KUEIORRSRONXDN-UHFFFAOYSA-N 0 0 423.294 4.153 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)c1 ZINC000558846775 943695635 /nfs/dbraw/zinc/69/56/35/943695635.db2.gz AKUBPTQRNYFVBN-UHFFFAOYSA-N 0 0 411.483 4.398 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000558914453 943743980 /nfs/dbraw/zinc/74/39/80/943743980.db2.gz NOMWYLPBYOFNDD-SFHVURJKSA-N 0 0 413.865 4.105 20 5 HIBDRN Cc1cc(Nc2cccc(N3CCC(C(N)=O)CC3)c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000558919958 943746465 /nfs/dbraw/zinc/74/64/65/943746465.db2.gz YUWJRNFHCSPSOJ-UHFFFAOYSA-N 0 0 422.407 4.367 20 5 HIBDRN CSc1cccc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c1[N+](=O)[O-] ZINC000558937574 943759052 /nfs/dbraw/zinc/75/90/52/943759052.db2.gz LLXGDSHVXCAMQB-UHFFFAOYSA-N 0 0 406.533 4.402 20 5 HIBDRN Cc1cc(NCc2cc(Br)cnc2N)c([N+](=O)[O-])cc1C(F)(F)F ZINC000558937685 943759458 /nfs/dbraw/zinc/75/94/58/943759458.db2.gz MQRIEMBRIAECMW-UHFFFAOYSA-N 0 0 405.174 4.274 20 5 HIBDRN O=C(Nc1csc(-c2ccncc2)n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000559023070 943807478 /nfs/dbraw/zinc/80/74/78/943807478.db2.gz ZTDWWNKJQJTGTQ-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN O=C(Nc1ccc(Br)cc1O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559033321 943810564 /nfs/dbraw/zinc/81/05/64/943810564.db2.gz VYCSYAYFHSPYHZ-UHFFFAOYSA-N 0 0 405.126 4.334 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CC(C)C)C1 ZINC000559044312 943813664 /nfs/dbraw/zinc/81/36/64/943813664.db2.gz GTKBVJQGRMGBGH-QGZVFWFLSA-N 0 0 401.511 4.152 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000559107670 943842392 /nfs/dbraw/zinc/84/23/92/943842392.db2.gz PSPFOFCUEOWQBA-QGZVFWFLSA-N 0 0 402.413 4.164 20 5 HIBDRN C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)CC1(F)F ZINC000559163880 943857488 /nfs/dbraw/zinc/85/74/88/943857488.db2.gz WNMUBYGXUHBNPD-CYBMUJFWSA-N 0 0 419.457 4.445 20 5 HIBDRN CC(C)(C)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)C1 ZINC000559210482 943873530 /nfs/dbraw/zinc/87/35/30/943873530.db2.gz HXMFFAKCDANNJL-FUHWJXTLSA-N 0 0 413.522 4.152 20 5 HIBDRN C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559247812 943885885 /nfs/dbraw/zinc/88/58/85/943885885.db2.gz JAERZMFUICRTKJ-GFCCVEGCSA-N 0 0 409.412 4.440 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(OCCc2ccccc2)CC1 ZINC000559285696 943890559 /nfs/dbraw/zinc/89/05/59/943890559.db2.gz QINKNUNEKBLNQI-UHFFFAOYSA-N 0 0 422.403 4.478 20 5 HIBDRN Cc1cc(OCC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000559345873 943901574 /nfs/dbraw/zinc/90/15/74/943901574.db2.gz OVPGVVQKCZSTFX-QGZVFWFLSA-N 0 0 421.453 4.133 20 5 HIBDRN CC(C)(C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000559408970 943938767 /nfs/dbraw/zinc/93/87/67/943938767.db2.gz IOXCWRARKPDHHO-UHFFFAOYSA-N 0 0 419.485 4.064 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccccc2)CC1 ZINC000559497416 943984067 /nfs/dbraw/zinc/98/40/67/943984067.db2.gz KNPNGRYYITUIFE-UHFFFAOYSA-N 0 0 418.291 4.065 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 ZINC000559515143 943991207 /nfs/dbraw/zinc/99/12/07/943991207.db2.gz NBXKICDZIRBZCZ-UHFFFAOYSA-N 0 0 421.251 4.059 20 5 HIBDRN Cc1cnc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C2CC2)s1 ZINC000559548273 944001239 /nfs/dbraw/zinc/00/12/39/944001239.db2.gz GTYFASFAINUEIC-AWEZNQCLSA-N 0 0 410.293 4.312 20 5 HIBDRN Cc1cccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 ZINC000559548411 944001267 /nfs/dbraw/zinc/00/12/67/944001267.db2.gz YDFYYBFCFZSOLZ-KRWDZBQOSA-N 0 0 404.264 4.346 20 5 HIBDRN COc1ccccc1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000559581833 944011694 /nfs/dbraw/zinc/01/16/94/944011694.db2.gz ZKKINVPVWRRJNA-ZDUSSCGKSA-N 0 0 419.275 4.304 20 5 HIBDRN CCOc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)ccc1C ZINC000559670455 944027415 /nfs/dbraw/zinc/02/74/15/944027415.db2.gz LUVZTJOUFALUKO-UHFFFAOYSA-N 0 0 408.458 4.416 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000559822845 944060141 /nfs/dbraw/zinc/06/01/41/944060141.db2.gz HSEADEKXDDFMRO-BFUOFWGJSA-N 0 0 419.840 4.162 20 5 HIBDRN CN(C)c1cc(Br)cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000559927963 944088119 /nfs/dbraw/zinc/08/81/19/944088119.db2.gz YPRZQJHHHIIHDD-UHFFFAOYSA-N 0 0 404.264 4.016 20 5 HIBDRN COCCCOc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000560128716 944170404 /nfs/dbraw/zinc/17/04/04/944170404.db2.gz QKOPELPJWFHMGN-UHFFFAOYSA-N 0 0 409.236 4.025 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)c2c(Cl)cccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000560143515 944177453 /nfs/dbraw/zinc/17/74/53/944177453.db2.gz LCWMOWBUYCCCFZ-UHFFFAOYSA-N 0 0 410.879 4.202 20 5 HIBDRN CSc1ccc(C)c(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000560216318 944199098 /nfs/dbraw/zinc/19/90/98/944199098.db2.gz ZVDUXODRIYNQKS-UHFFFAOYSA-N 0 0 401.488 4.500 20 5 HIBDRN COc1cc(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000560275693 944216084 /nfs/dbraw/zinc/21/60/84/944216084.db2.gz BJYCLBCFWFKSMU-ADLMAVQZSA-N 0 0 406.385 4.258 20 5 HIBDRN CCCOc1ccc(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000560514007 944239250 /nfs/dbraw/zinc/23/92/50/944239250.db2.gz AVYXQPSYURTAEC-NRFANRHFSA-N 0 0 410.474 4.005 20 5 HIBDRN Cn1ccnc1[C@@H](N[C@H](c1nccs1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000560528582 944243854 /nfs/dbraw/zinc/24/38/54/944243854.db2.gz IWQOPUJPLBRDPN-OALUTQOASA-N 0 0 405.483 4.253 20 5 HIBDRN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ncc(Br)cn1 ZINC000560564002 944255954 /nfs/dbraw/zinc/25/59/54/944255954.db2.gz GMFHIWOZOLRUJV-NSHDSACASA-N 0 0 403.236 4.258 20 5 HIBDRN COCCNC(=O)c1cccc(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000560571041 944258210 /nfs/dbraw/zinc/25/82/10/944258210.db2.gz UNVPDYVEJGYNJF-JOCHJYFZSA-N 0 0 405.454 4.173 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H](c2cccc(F)c2)C1 ZINC000560662766 944286953 /nfs/dbraw/zinc/28/69/53/944286953.db2.gz MFVJPMGBFPVRBG-ZDUSSCGKSA-N 0 0 412.339 4.305 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000560720629 944308817 /nfs/dbraw/zinc/30/88/17/944308817.db2.gz MSESADSZZYLSRP-UHFFFAOYSA-N 0 0 415.396 4.162 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000560723363 944310053 /nfs/dbraw/zinc/31/00/53/944310053.db2.gz SUUPYQDQUMIFJX-ZDUSSCGKSA-N 0 0 422.359 4.362 20 5 HIBDRN CC[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000560737764 944315616 /nfs/dbraw/zinc/31/56/16/944315616.db2.gz JGLUHBIGTWCNOL-OAHLLOKOSA-N 0 0 422.865 4.302 20 5 HIBDRN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000560858530 944360297 /nfs/dbraw/zinc/36/02/97/944360297.db2.gz YVKYLCRJFPYQPH-KSSFIOAISA-N 0 0 424.375 4.044 20 5 HIBDRN Cc1cc(F)ccc1C1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000560940295 944373075 /nfs/dbraw/zinc/37/30/75/944373075.db2.gz GICQHWIRIPXNEQ-UHFFFAOYSA-N 0 0 408.433 4.248 20 5 HIBDRN O=C(NCc1c(F)cccc1N1CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000560968519 944379445 /nfs/dbraw/zinc/37/94/45/944379445.db2.gz UHVAPDXORCXQQE-UHFFFAOYSA-N 0 0 415.468 4.351 20 5 HIBDRN CC(C)c1c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000560993284 944389520 /nfs/dbraw/zinc/38/95/20/944389520.db2.gz OJBMFNCIRILAHJ-UHFFFAOYSA-N 0 0 410.449 4.358 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)n1 ZINC000561021589 944399797 /nfs/dbraw/zinc/39/97/97/944399797.db2.gz LEYDCIWCLKWUJV-JSGCOSHPSA-N 0 0 419.279 4.260 20 5 HIBDRN COc1cc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000561064543 944423713 /nfs/dbraw/zinc/42/37/13/944423713.db2.gz AEOYRLPRQAPYEB-SGTLLEGYSA-N 0 0 424.375 4.224 20 5 HIBDRN COc1c(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000561068153 944426058 /nfs/dbraw/zinc/42/60/58/944426058.db2.gz PRFAMOGRJLUZDO-YVEFUNNKSA-N 0 0 424.375 4.224 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CC(C2CCC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000561096851 944446863 /nfs/dbraw/zinc/44/68/63/944446863.db2.gz LEWQMSZMPHGNHO-UHFFFAOYSA-N 0 0 413.861 4.373 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)cc1OC1CCOCC1 ZINC000561130079 944469098 /nfs/dbraw/zinc/46/90/98/944469098.db2.gz KYPIQYUSJIHSEH-UHFFFAOYSA-N 0 0 408.813 4.126 20 5 HIBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000561207917 944514672 /nfs/dbraw/zinc/51/46/72/944514672.db2.gz KIDNEAFKTWOAFE-MRXNPFEDSA-N 0 0 419.457 4.151 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N1CCc2ccc(Br)cc2C1 ZINC000561320957 944550178 /nfs/dbraw/zinc/55/01/78/944550178.db2.gz RFXRVLLTKACDMZ-UHFFFAOYSA-N 0 0 413.069 4.078 20 5 HIBDRN Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000561448840 944606095 /nfs/dbraw/zinc/60/60/95/944606095.db2.gz ULOOYBVNSBALDC-SFHVURJKSA-N 0 0 407.430 4.397 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000561480500 944624067 /nfs/dbraw/zinc/62/40/67/944624067.db2.gz NTIJRSHAWNNVFF-IBGZPJMESA-N 0 0 403.866 4.215 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000561509171 944645858 /nfs/dbraw/zinc/64/58/58/944645858.db2.gz ZPDYKRMLPXLBDV-UHFFFAOYSA-N 0 0 424.432 4.305 20 5 HIBDRN COCCC[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000561514435 944648714 /nfs/dbraw/zinc/64/87/14/944648714.db2.gz ANUNIUSRTBZNCU-KRWDZBQOSA-N 0 0 405.882 4.258 20 5 HIBDRN COc1ccccc1O[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000561583429 944688387 /nfs/dbraw/zinc/68/83/87/944688387.db2.gz CXROZDPUKYAVLT-WMZOPIPTSA-N 0 0 413.474 4.226 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2ccncc2OCc2ccccc2)cc1[N+](=O)[O-] ZINC000561584342 944688500 /nfs/dbraw/zinc/68/85/00/944688500.db2.gz SFQQCEODBGXFGZ-QGZVFWFLSA-N 0 0 420.469 4.438 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2cc3c(cn2)CCC3)cc1[N+](=O)[O-])c1ccccn1 ZINC000561618842 944711032 /nfs/dbraw/zinc/71/10/32/944711032.db2.gz GQFQBWCPHMKXTA-AWEZNQCLSA-N 0 0 403.442 4.299 20 5 HIBDRN C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000561669736 944739613 /nfs/dbraw/zinc/73/96/13/944739613.db2.gz NSBKXOVERDDYSH-AWEZNQCLSA-N 0 0 413.865 4.037 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cc1[N+](=O)[O-] ZINC000561682024 944744250 /nfs/dbraw/zinc/74/42/50/944744250.db2.gz PBYMAPMPMYIXPW-UHFFFAOYSA-N 0 0 400.410 4.029 20 5 HIBDRN COc1ccc(C(=O)CCCCCc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)cc1 ZINC000561862116 944825459 /nfs/dbraw/zinc/82/54/59/944825459.db2.gz YLYXWHHUQHLICQ-UHFFFAOYSA-N 0 0 410.430 4.221 20 5 HIBDRN COc1cc(-c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)cc([N+](=O)[O-])c1C ZINC000561874409 944831220 /nfs/dbraw/zinc/83/12/20/944831220.db2.gz GNHFJNWXKVOCMQ-UHFFFAOYSA-N 0 0 410.361 4.347 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)cc([N+](=O)[O-])c1 ZINC000561883646 944836330 /nfs/dbraw/zinc/83/63/30/944836330.db2.gz QGGDLECRAPRTID-QGZVFWFLSA-N 0 0 420.874 4.042 20 5 HIBDRN COc1c(-c2nc(-c3ccc(NC(C)=O)c(C(F)(F)F)c3)no2)cccc1[N+](=O)[O-] ZINC000561930301 944862497 /nfs/dbraw/zinc/86/24/97/944862497.db2.gz SDNNEYHNUNOREN-UHFFFAOYSA-N 0 0 422.319 4.298 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000562187408 945009417 /nfs/dbraw/zinc/00/94/17/945009417.db2.gz SHVAOWKIBRITOD-UHFFFAOYSA-N 0 0 417.372 4.289 20 5 HIBDRN COc1ccc(CC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000562308002 945057152 /nfs/dbraw/zinc/05/71/52/945057152.db2.gz OEPNZNOTSXHBCI-UHFFFAOYSA-N 0 0 420.290 4.405 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000564199284 945430047 /nfs/dbraw/zinc/43/00/47/945430047.db2.gz UHMWVUIUYQSZGG-UHFFFAOYSA-N 0 0 421.862 4.332 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc(-c3ccccc3C(F)(F)F)o2)n1 ZINC000564275308 945488189 /nfs/dbraw/zinc/48/81/89/945488189.db2.gz GORUTMLKOGEUGB-UHFFFAOYSA-N 0 0 405.292 4.324 20 5 HIBDRN O=c1cc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)c2ccccc2[nH]1 ZINC000564287738 945499482 /nfs/dbraw/zinc/49/94/82/945499482.db2.gz NPWWAFWMZGNKPN-UHFFFAOYSA-N 0 0 412.789 4.174 20 5 HIBDRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000564307667 945509019 /nfs/dbraw/zinc/50/90/19/945509019.db2.gz PEZCFLBPIGYZGT-LLVKDONJSA-N 0 0 410.348 4.093 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000564363090 945529604 /nfs/dbraw/zinc/52/96/04/945529604.db2.gz KXBLWSRXQNKLRW-HNNXBMFYSA-N 0 0 416.275 4.377 20 5 HIBDRN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000564411583 945562316 /nfs/dbraw/zinc/56/23/16/945562316.db2.gz DJANGAZDHWGQDW-LBPRGKRZSA-N 0 0 400.822 4.254 20 5 HIBDRN O=C(CCN1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1-c1ccccc1 ZINC000564412108 945564415 /nfs/dbraw/zinc/56/44/15/945564415.db2.gz WIYHHNCFTCBESX-UHFFFAOYSA-N 0 0 417.465 4.485 20 5 HIBDRN CN(c1ccccc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC000564423903 945576436 /nfs/dbraw/zinc/57/64/36/945576436.db2.gz MYMURLFGSODPOP-UHFFFAOYSA-N 0 0 410.474 4.400 20 5 HIBDRN COc1ccc(Cc2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)c(F)c1 ZINC000564687671 945731686 /nfs/dbraw/zinc/73/16/86/945731686.db2.gz UJQKYECBSDEKPG-UHFFFAOYSA-N 0 0 401.397 4.470 20 5 HIBDRN C[C@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000564696056 945735662 /nfs/dbraw/zinc/73/56/62/945735662.db2.gz 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ZINC000570645065 947321678 /nfs/dbraw/zinc/32/16/78/947321678.db2.gz AWSPFOYYGNFNQM-UHFFFAOYSA-N 0 0 414.531 4.163 20 5 HIBDRN COc1cc(Cc2noc([C@H](C)Oc3cccc(Cl)c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000570910382 947390565 /nfs/dbraw/zinc/39/05/65/947390565.db2.gz JAURMAXAUWXHAW-NSHDSACASA-N 0 0 419.821 4.379 20 5 HIBDRN COc1cc(OC)cc(C2(F)CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000571180396 947533602 /nfs/dbraw/zinc/53/36/02/947533602.db2.gz HWUZBPVYZVYJFZ-UHFFFAOYSA-N 0 0 421.400 4.244 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NC[C@H]3CCCSC3)cc2[N+](=O)[O-])n1 ZINC000571237912 947559892 /nfs/dbraw/zinc/55/98/92/947559892.db2.gz LGCHCFCYOPSQPT-GFCCVEGCSA-N 0 0 409.558 4.384 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccc(C)c4c3CCCN4)cc2)c(C)c1[N+](=O)[O-] ZINC000571306271 947584586 /nfs/dbraw/zinc/58/45/86/947584586.db2.gz FVEGFUCMDKMEKG-UHFFFAOYSA-N 0 0 419.485 4.375 20 5 HIBDRN CCOc1cc(CN(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000571379173 947630963 /nfs/dbraw/zinc/63/09/63/947630963.db2.gz 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HIBDRN CC(C)OC(=O)C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000016144692 846129543 /nfs/dbraw/zinc/12/95/43/846129543.db2.gz NVOOSJCUMIKAKY-FQEVSTJZSA-N 0 0 423.469 4.208 20 5 HIBDRN COc1cc(CCNC(=O)c2oc3c(cccc3Cl)c2C)c([N+](=O)[O-])cc1OC ZINC000016143438 846129825 /nfs/dbraw/zinc/12/98/25/846129825.db2.gz GDWWSISIHZZMTE-UHFFFAOYSA-N 0 0 418.833 4.293 20 5 HIBDRN Cc1nc(-c2ccccc2)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016166558 846132324 /nfs/dbraw/zinc/13/23/24/846132324.db2.gz DQUHJWJURFWGKH-HNNXBMFYSA-N 0 0 405.410 4.149 20 5 HIBDRN Cc1nc(-c2ccccc2)ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016166281 846132385 /nfs/dbraw/zinc/13/23/85/846132385.db2.gz MZCJLTWOEWHAAP-HNNXBMFYSA-N 0 0 405.410 4.149 20 5 HIBDRN COc1ccccc1CCN(C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436335504 861643628 /nfs/dbraw/zinc/64/36/28/861643628.db2.gz NLCCDAXBRFTQDN-UHFFFAOYSA-N 0 0 422.431 4.283 20 5 HIBDRN O=C(COC(=O)CCc1ccc(-c2ccccc2F)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000016320298 846153109 /nfs/dbraw/zinc/15/31/09/846153109.db2.gz ZIZYUPUSXHRELM-UHFFFAOYSA-N 0 0 412.373 4.108 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)N1CCc2ccccc2C1 ZINC000016458689 846174686 /nfs/dbraw/zinc/17/46/86/846174686.db2.gz RQJSKQXSIODDAR-UHFFFAOYSA-N 0 0 402.450 4.149 20 5 HIBDRN O=C(COC(=O)c1occc1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000016537412 846180959 /nfs/dbraw/zinc/18/09/59/846180959.db2.gz OSSUOLBVDNTCRU-UHFFFAOYSA-N 0 0 400.774 4.304 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000016615177 846189677 /nfs/dbraw/zinc/18/96/77/846189677.db2.gz NDVRMIRQNODTOU-RYUDHWBXSA-N 0 0 417.805 4.370 20 5 HIBDRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1 ZINC000016959391 846222477 /nfs/dbraw/zinc/22/24/77/846222477.db2.gz XNXUYNUZPAKJHF-UHFFFAOYSA-N 0 0 408.410 4.443 20 5 HIBDRN CCCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])sc1C ZINC000017057014 846228786 /nfs/dbraw/zinc/22/87/86/846228786.db2.gz 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Cc1c(CS(=O)(=O)Cc2coc(-c3cccc(Cl)c3)n2)cccc1[N+](=O)[O-] ZINC000048717540 849258822 /nfs/dbraw/zinc/25/88/22/849258822.db2.gz XDWWUMXBJBIMDE-UHFFFAOYSA-N 0 0 406.847 4.327 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000048979280 849285602 /nfs/dbraw/zinc/28/56/02/849285602.db2.gz QGLQPXKHUIKKEN-INIZCTEOSA-N 0 0 408.241 4.108 20 5 HIBDRN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049638484 849316958 /nfs/dbraw/zinc/31/69/58/849316958.db2.gz CEZOJUXUNNGDHS-UHFFFAOYSA-N 0 0 404.348 4.072 20 5 HIBDRN C[C@H](Nc1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000050005540 849340337 /nfs/dbraw/zinc/34/03/37/849340337.db2.gz FMWYPEYHYQHICG-INIZCTEOSA-N 0 0 418.453 4.136 20 5 HIBDRN O=C(Nc1nc(-c2ccccn2)cs1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050288290 849367103 /nfs/dbraw/zinc/36/71/03/849367103.db2.gz SZZKRTWLIWDCCC-UHFFFAOYSA-N 0 0 409.452 4.489 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 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Cc1c(NC(=O)[C@@H](C)N(C)Cc2cc(Br)cs2)cccc1[N+](=O)[O-] ZINC000052847965 849634824 /nfs/dbraw/zinc/63/48/24/849634824.db2.gz MFTYCHISRHVOPD-LLVKDONJSA-N 0 0 412.309 4.186 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N(C)Cc2cc(Br)cs2)cccc1[N+](=O)[O-] ZINC000052847966 849635185 /nfs/dbraw/zinc/63/51/85/849635185.db2.gz MFTYCHISRHVOPD-NSHDSACASA-N 0 0 412.309 4.186 20 5 HIBDRN CC(C)c1ccc(-c2noc(CCC(=O)NCCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000053217829 849680607 /nfs/dbraw/zinc/68/06/07/849680607.db2.gz PAOCROYOTCDXGR-UHFFFAOYSA-N 0 0 408.458 4.060 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000053312301 849692481 /nfs/dbraw/zinc/69/24/81/849692481.db2.gz BVLYNOHFLIXCGG-NRFANRHFSA-N 0 0 418.449 4.157 20 5 HIBDRN Cc1sc2ncnc(SCC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2c1C ZINC000053415326 849705598 /nfs/dbraw/zinc/70/55/98/849705598.db2.gz JXTJZPFZHDRLNL-NSHDSACASA-N 0 0 402.501 4.186 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCn3cccc3[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000053445167 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RPQDEFLPSRURHN-OAHLLOKOSA-N 0 0 421.419 4.456 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000072045103 852484845 /nfs/dbraw/zinc/48/48/45/852484845.db2.gz CGMOEQQXSWJNLB-QGZVFWFLSA-N 0 0 424.504 4.402 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 ZINC000072046948 852485535 /nfs/dbraw/zinc/48/55/35/852485535.db2.gz IUEHOFRBQCYYRM-UHFFFAOYSA-N 0 0 410.817 4.077 20 5 HIBDRN CCc1cc2oc(=O)cc(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)c2cc1Cl ZINC000072086046 852502557 /nfs/dbraw/zinc/50/25/57/852502557.db2.gz CUZVQFXWGBHSIC-UHFFFAOYSA-N 0 0 410.817 4.224 20 5 HIBDRN COc1ccc(C)c2c1N(C(=O)Cn1c3ccccc3c(=O)c3ccccc31)CCC2 ZINC000072094088 852507522 /nfs/dbraw/zinc/50/75/22/852507522.db2.gz OKFKWDFZQXAAKS-UHFFFAOYSA-N 0 0 412.489 4.451 20 5 HIBDRN Cc1ccc(Cc2nnc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)s2)cc1 ZINC000078671355 852524867 /nfs/dbraw/zinc/52/48/67/852524867.db2.gz NFWWVOVGHGISEN-UHFFFAOYSA-N 0 0 423.498 4.198 20 5 HIBDRN O=C(Nc1ccc(Nc2ccccc2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000078721119 852526764 /nfs/dbraw/zinc/52/67/64/852526764.db2.gz RADMAOUHTFCYHX-UHFFFAOYSA-N 0 0 400.398 4.171 20 5 HIBDRN O=C(c1occc1CSc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000096991860 852569240 /nfs/dbraw/zinc/56/92/40/852569240.db2.gz VUSRRZFGMDOSIJ-UHFFFAOYSA-N 0 0 423.494 4.443 20 5 HIBDRN Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000097076290 852580522 /nfs/dbraw/zinc/58/05/22/852580522.db2.gz FUYDVRBRJFGUIR-UHFFFAOYSA-N 0 0 401.422 4.358 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000097205847 852588670 /nfs/dbraw/zinc/58/86/70/852588670.db2.gz BVYUDBJLWGWYLU-FQEVSTJZSA-N 0 0 416.886 4.457 20 5 HIBDRN COc1ccc(Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1[N+](=O)[O-] ZINC000097336539 852603564 /nfs/dbraw/zinc/60/35/64/852603564.db2.gz JWNBFVYDGRJJPB-UHFFFAOYSA-N 0 0 407.451 4.399 20 5 HIBDRN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000097544018 852624574 /nfs/dbraw/zinc/62/45/74/852624574.db2.gz LPTIELUUIRDOHM-OAHLLOKOSA-N 0 0 421.925 4.276 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1)n1cc([N+](=O)[O-])cn1 ZINC000097548507 852627386 /nfs/dbraw/zinc/62/73/86/852627386.db2.gz PAELZGJDUFMHFC-UHFFFAOYSA-N 0 0 416.384 4.022 20 5 HIBDRN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000097571141 852632222 /nfs/dbraw/zinc/63/22/22/852632222.db2.gz VEGGRPZJGAJNIY-CYBMUJFWSA-N 0 0 412.343 4.153 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000097570432 852632438 /nfs/dbraw/zinc/63/24/38/852632438.db2.gz SQUZHQANXFMPFR-GOSISDBHSA-N 0 0 409.269 4.487 20 5 HIBDRN O=C(CCCn1c(=O)oc2ccccc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000104674077 852673394 /nfs/dbraw/zinc/67/33/94/852673394.db2.gz SCLNUMFSHIWZTI-UHFFFAOYSA-N 0 0 424.438 4.045 20 5 HIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000104798088 852677044 /nfs/dbraw/zinc/67/70/44/852677044.db2.gz VHDCBFZRPUBBRC-UHFFFAOYSA-N 0 0 400.572 4.171 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000104919416 852682063 /nfs/dbraw/zinc/68/20/63/852682063.db2.gz HYOUDFCNMHTXGT-MRXNPFEDSA-N 0 0 401.488 4.052 20 5 HIBDRN CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)oc21 ZINC000104960191 852684188 /nfs/dbraw/zinc/68/41/88/852684188.db2.gz BDNCTLIJFNIVPN-CQSZACIVSA-N 0 0 420.425 4.416 20 5 HIBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000105120962 852690524 /nfs/dbraw/zinc/69/05/24/852690524.db2.gz UXUCJNCVDPGFQP-MRXNPFEDSA-N 0 0 421.428 4.378 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000105413425 852704702 /nfs/dbraw/zinc/70/47/02/852704702.db2.gz IIPREDKRNPWTFO-UHFFFAOYSA-N 0 0 400.822 4.393 20 5 HIBDRN CC(C)NC(=O)c1ccc(N(C)Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000105429797 852705621 /nfs/dbraw/zinc/70/56/21/852705621.db2.gz GMILXMFRYFJXLE-UHFFFAOYSA-N 0 0 406.280 4.132 20 5 HIBDRN COc1ccc(OC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c([N+](=O)[O-])c1 ZINC000105510062 852709648 /nfs/dbraw/zinc/70/96/48/852709648.db2.gz QXEORORCOPKJNI-UHFFFAOYSA-N 0 0 418.409 4.080 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105531221 852711651 /nfs/dbraw/zinc/71/16/51/852711651.db2.gz GLFQWDSDGQHPKN-UHFFFAOYSA-N 0 0 406.320 4.240 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000105537206 852711769 /nfs/dbraw/zinc/71/17/69/852711769.db2.gz ZGRFLZYSOYMTMS-UHFFFAOYSA-N 0 0 410.430 4.348 20 5 HIBDRN COc1cccc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)c1[N+](=O)[O-] ZINC000107193122 852771097 /nfs/dbraw/zinc/77/10/97/852771097.db2.gz WBEVFFIBBSHFIX-UHFFFAOYSA-N 0 0 403.504 4.377 20 5 HIBDRN CCc1nc2ccccc2c(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1C ZINC000107691762 852786762 /nfs/dbraw/zinc/78/67/62/852786762.db2.gz BIYFTCCVQOPHGX-UHFFFAOYSA-N 0 0 418.409 4.421 20 5 HIBDRN CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000107747183 852791995 /nfs/dbraw/zinc/79/19/95/852791995.db2.gz UMTZMYNRNYECJB-UHFFFAOYSA-N 0 0 411.505 4.497 20 5 HIBDRN Cc1c(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)oc2c1C(=O)CCC2 ZINC000107797407 852797428 /nfs/dbraw/zinc/79/74/28/852797428.db2.gz KCPHGDZYEAEBAW-UHFFFAOYSA-N 0 0 410.348 4.220 20 5 HIBDRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2[N+](=O)[O-])o1 ZINC000107958419 852811305 /nfs/dbraw/zinc/81/13/05/852811305.db2.gz XUNYLZJAQCLQQP-UHFFFAOYSA-N 0 0 402.410 4.279 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1NCc1ccnc(OCC(F)(F)F)c1 ZINC000108086991 852822178 /nfs/dbraw/zinc/82/21/78/852822178.db2.gz SGDNKLXFFKDGMZ-UHFFFAOYSA-N 0 0 406.158 4.306 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000108122622 852823934 /nfs/dbraw/zinc/82/39/34/852823934.db2.gz XDRFRXMGKDYZLV-UHFFFAOYSA-N 0 0 423.391 4.225 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000108540549 852857867 /nfs/dbraw/zinc/85/78/67/852857867.db2.gz AJWNGONEYAQMPK-UGSOOPFHSA-N 0 0 406.891 4.329 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000108671953 852870530 /nfs/dbraw/zinc/87/05/30/852870530.db2.gz QIZHEBGNMWJMJR-AWEZNQCLSA-N 0 0 423.400 4.283 20 5 HIBDRN CCN(CC)c1nc2sc(C(=O)Oc3ccc(OC)cc3[N+](=O)[O-])cc2s1 ZINC000108936691 852895705 /nfs/dbraw/zinc/89/57/05/852895705.db2.gz XOXKJCRIDDRGEO-UHFFFAOYSA-N 0 0 407.473 4.340 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000109148788 852927839 /nfs/dbraw/zinc/92/78/39/852927839.db2.gz DEEXSSJIKXSPKF-UHFFFAOYSA-N 0 0 404.348 4.190 20 5 HIBDRN CC[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1OC(F)F ZINC000109275617 852946507 /nfs/dbraw/zinc/94/65/07/852946507.db2.gz BJGFLAXLTHIHTI-INIZCTEOSA-N 0 0 416.384 4.263 20 5 HIBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1Oc1cccnc1 ZINC000109712081 853003502 /nfs/dbraw/zinc/00/35/02/853003502.db2.gz IMGKJZORQQITSL-UHFFFAOYSA-N 0 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COc1ccc(CC[C@@H]2CCCCN2C(=O)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000110241715 853079303 /nfs/dbraw/zinc/07/93/03/853079303.db2.gz SAUQDDLRBWZNPO-IBGZPJMESA-N 0 0 412.486 4.168 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000110314413 853086449 /nfs/dbraw/zinc/08/64/49/853086449.db2.gz KZZRMAVSBHROJO-SFHVURJKSA-N 0 0 401.850 4.108 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)c2cccc(C(C)C)c2)ccc1[N+](=O)[O-] ZINC000110319463 853086578 /nfs/dbraw/zinc/08/65/78/853086578.db2.gz TVJGYHNJVOOBDA-OAQYLSRUSA-N 0 0 409.486 4.294 20 5 HIBDRN Cn1c2ccccc2nc1-c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000110581590 853121001 /nfs/dbraw/zinc/12/10/01/853121001.db2.gz GAZXMMRSSBBRBW-UHFFFAOYSA-N 0 0 402.410 4.166 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000110587948 853123139 /nfs/dbraw/zinc/12/31/39/853123139.db2.gz KPXWBGGCHFBJKL-UHFFFAOYSA-N 0 0 402.838 4.059 20 5 HIBDRN CCOCCCn1c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)nc2ccccc21 ZINC000110801397 853154257 /nfs/dbraw/zinc/15/42/57/853154257.db2.gz YZBZUKRQVYZXKP-UHFFFAOYSA-N 0 0 407.430 4.105 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000110843916 853156496 /nfs/dbraw/zinc/15/64/96/853156496.db2.gz TXSFVFGSHKXKPY-QGZVFWFLSA-N 0 0 414.405 4.281 20 5 HIBDRN CN(C[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1)C(=O)OC(C)(C)C ZINC000111190994 853218338 /nfs/dbraw/zinc/21/83/38/853218338.db2.gz OUIVOWRNJDIMAW-ZDUSSCGKSA-N 0 0 406.508 4.288 20 5 HIBDRN O=[N+]([O-])c1ccc2nc(NC[C@@H](O)COc3cccc(C(F)(F)F)c3)sc2c1 ZINC000111189821 853218777 /nfs/dbraw/zinc/21/87/77/853218777.db2.gz BEIDOSFQQAQLCD-GFCCVEGCSA-N 0 0 413.377 4.075 20 5 HIBDRN CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)o1 ZINC000112671929 853238518 /nfs/dbraw/zinc/23/85/18/853238518.db2.gz XUENZZJBAYTZGP-KRWDZBQOSA-N 0 0 400.431 4.279 20 5 HIBDRN COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c([N+](=O)[O-])c1 ZINC000115395207 853251075 /nfs/dbraw/zinc/25/10/75/853251075.db2.gz BGNIBRQQYPCQSS-UHFFFAOYSA-N 0 0 421.413 4.441 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000116003217 853278037 /nfs/dbraw/zinc/27/80/37/853278037.db2.gz IEHMFFFEVGMFBS-HUUCEWRRSA-N 0 0 419.934 4.372 20 5 HIBDRN CCCCCCN(CCN1CCOCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000116081458 853281383 /nfs/dbraw/zinc/28/13/83/853281383.db2.gz VIAPKNFLIXNQOL-UHFFFAOYSA-N 0 0 419.547 4.164 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1F ZINC000116094778 853282687 /nfs/dbraw/zinc/28/26/87/853282687.db2.gz LBPVDCIKFRHQBT-UHFFFAOYSA-N 0 0 419.312 4.392 20 5 HIBDRN Cc1ccc(NC(=O)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Cl)c1 ZINC000116113546 853283715 /nfs/dbraw/zinc/28/37/15/853283715.db2.gz RYGFGBGBAUQYIF-UHFFFAOYSA-N 0 0 403.847 4.140 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000437239542 862448698 /nfs/dbraw/zinc/44/86/98/862448698.db2.gz WXYFUWWAIOVGLE-OAHLLOKOSA-N 0 0 408.332 4.320 20 5 HIBDRN O=C(Cc1cccc(F)c1)NCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000116366655 853299718 /nfs/dbraw/zinc/29/97/18/853299718.db2.gz SMWYETUUVOKMAW-UHFFFAOYSA-N 0 0 419.762 4.177 20 5 HIBDRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000116544314 853314133 /nfs/dbraw/zinc/31/41/33/853314133.db2.gz RUWRCGKEKFZVHC-UHFFFAOYSA-N 0 0 409.421 4.280 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000116781264 853332453 /nfs/dbraw/zinc/33/24/53/853332453.db2.gz NTLIAZCUGCSONE-IBGZPJMESA-N 0 0 421.457 4.119 20 5 HIBDRN O=C(O[C@@H](c1ccncc1)c1ccc(F)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000116787221 853333830 /nfs/dbraw/zinc/33/38/30/853333830.db2.gz VASDBDZDBAOMCU-OAQYLSRUSA-N 0 0 418.384 4.261 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)c2csc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000117236981 853349413 /nfs/dbraw/zinc/34/94/13/853349413.db2.gz ZHAIBTATCBRMGP-UHFFFAOYSA-N 0 0 403.441 4.209 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1[N+](=O)[O-] ZINC000117537422 853360446 /nfs/dbraw/zinc/36/04/46/853360446.db2.gz LKCXKCXGOVJDPG-UHFFFAOYSA-N 0 0 404.854 4.071 20 5 HIBDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000138439243 853386318 /nfs/dbraw/zinc/38/63/18/853386318.db2.gz XHWZPYBTTPPUAY-GFCCVEGCSA-N 0 0 417.849 4.311 20 5 HIBDRN CCCC(=O)Nc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000138457161 853386607 /nfs/dbraw/zinc/38/66/07/853386607.db2.gz INWOVHUNSZJFLX-CYBMUJFWSA-N 0 0 419.865 4.071 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000138429979 853386701 /nfs/dbraw/zinc/38/67/01/853386701.db2.gz VZIMGHUDYNAILK-CYBMUJFWSA-N 0 0 417.849 4.171 20 5 HIBDRN CCN(CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(C)c1 ZINC000139650761 853416648 /nfs/dbraw/zinc/41/66/48/853416648.db2.gz XULFPVVXEBZXKX-UHFFFAOYSA-N 0 0 413.521 4.106 20 5 HIBDRN O=C(NCc1ccc(Sc2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000437247245 862467294 /nfs/dbraw/zinc/46/72/94/862467294.db2.gz XJRLDACJWQIKRO-UHFFFAOYSA-N 0 0 422.462 4.447 20 5 HIBDRN C[C@H](Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000141935958 853483989 /nfs/dbraw/zinc/48/39/89/853483989.db2.gz ZRUHKCDNAJJYIE-ZFWWWQNUSA-N 0 0 419.865 4.245 20 5 HIBDRN CCO[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000144171448 853530459 /nfs/dbraw/zinc/53/04/59/853530459.db2.gz JRGSGQFQGGBTKJ-SFHVURJKSA-N 0 0 400.431 4.037 20 5 HIBDRN CCO[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000144171261 853530704 /nfs/dbraw/zinc/53/07/04/853530704.db2.gz JRGSGQFQGGBTKJ-GOSISDBHSA-N 0 0 400.431 4.037 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])NCc1cccc(COCc2ccccc2)c1 ZINC000144999334 853544207 /nfs/dbraw/zinc/54/42/07/853544207.db2.gz ZEHUWAAWIIQAFX-UHFFFAOYSA-N 0 0 405.454 4.040 20 5 HIBDRN CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437252558 862475445 /nfs/dbraw/zinc/47/54/45/862475445.db2.gz CPBBSGATGQZVHB-UHFFFAOYSA-N 0 0 403.263 4.103 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000145089237 853545501 /nfs/dbraw/zinc/54/55/01/853545501.db2.gz ZHYKIOSEVBOGKL-UHFFFAOYSA-N 0 0 414.437 4.303 20 5 HIBDRN CCOc1cc(C(=O)NCc2ccc(OC(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000146108832 853563558 /nfs/dbraw/zinc/56/35/58/853563558.db2.gz PKYSTGZJRACCJX-UHFFFAOYSA-N 0 0 402.447 4.109 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000147022935 853581155 /nfs/dbraw/zinc/58/11/55/853581155.db2.gz HWWYFXYCZSYAPB-OAHLLOKOSA-N 0 0 419.437 4.347 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2COCc2ccccc2)c1 ZINC000147023155 853581163 /nfs/dbraw/zinc/58/11/63/853581163.db2.gz YOTLOJORSQMDAW-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN COc1cc(OCC(=O)Nc2ccccc2SCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000147561226 853589904 /nfs/dbraw/zinc/58/99/04/853589904.db2.gz HGPAOBCXNDSBLT-UHFFFAOYSA-N 0 0 416.377 4.275 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cc([N+](=O)[O-])c1 ZINC000148117124 853600599 /nfs/dbraw/zinc/60/05/99/853600599.db2.gz AOCJZYFYCMTSKI-UHFFFAOYSA-N 0 0 407.401 4.476 20 5 HIBDRN Cc1c(Br)c(NCc2cc(Br)cs2)ncc1[N+](=O)[O-] ZINC000165771599 853652623 /nfs/dbraw/zinc/65/26/23/853652623.db2.gz WVAZMXOYCFRDSR-UHFFFAOYSA-N 0 0 407.087 4.497 20 5 HIBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000195610751 853712823 /nfs/dbraw/zinc/71/28/23/853712823.db2.gz CXWXDQNVCKOYNX-UHFFFAOYSA-N 0 0 415.446 4.050 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC000195641535 853732648 /nfs/dbraw/zinc/73/26/48/853732648.db2.gz IFFCATVGJRCALN-UHFFFAOYSA-N 0 0 408.426 4.279 20 5 HIBDRN CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000195644909 853735123 /nfs/dbraw/zinc/73/51/23/853735123.db2.gz VLBMULZMCOMISN-UHFFFAOYSA-N 0 0 403.307 4.357 20 5 HIBDRN COc1cc(OCC(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000195702529 853768694 /nfs/dbraw/zinc/76/86/94/853768694.db2.gz AJRNNMIEFAGFHC-VIFPVBQESA-N 0 0 417.220 4.306 20 5 HIBDRN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1ccc(Cl)c(Cl)c1 ZINC000195741471 853789202 /nfs/dbraw/zinc/78/92/02/853789202.db2.gz UADXFNOXRBRACE-UHFFFAOYSA-N 0 0 404.209 4.008 20 5 HIBDRN COc1cc(/C=C\C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(C)noc1C ZINC000206143737 853798294 /nfs/dbraw/zinc/79/82/94/853798294.db2.gz HPSXOPDMHKTXPI-WZUFQYTHSA-N 0 0 423.425 4.439 20 5 HIBDRN Cc1cn2c(nc(C)c2CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1 ZINC000217127214 853860592 /nfs/dbraw/zinc/86/05/92/853860592.db2.gz BEHSQJQDTYPSRY-UHFFFAOYSA-N 0 0 400.485 4.408 20 5 HIBDRN Cc1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1C1CCCCC1 ZINC000217234918 853861272 /nfs/dbraw/zinc/86/12/72/853861272.db2.gz RVDNTXHOPPWWDH-QGZVFWFLSA-N 0 0 411.506 4.240 20 5 HIBDRN Cc1c(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)oc2ccccc12 ZINC000217202134 853861487 /nfs/dbraw/zinc/86/14/87/853861487.db2.gz YLGQNGXMXSBYNW-AWEZNQCLSA-N 0 0 414.439 4.059 20 5 HIBDRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000217731767 853862435 /nfs/dbraw/zinc/86/24/35/853862435.db2.gz UCPWALACTIGNKI-WKOYGUFESA-N 0 0 409.486 4.491 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCn2c3ccccc3nc21 ZINC000219251062 853867832 /nfs/dbraw/zinc/86/78/32/853867832.db2.gz TZSCIKHNTJDKPQ-UHFFFAOYSA-N 0 0 422.388 4.102 20 5 HIBDRN COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000219534285 853870760 /nfs/dbraw/zinc/87/07/60/853870760.db2.gz UILJOEUUGAXBLG-UHFFFAOYSA-N 0 0 408.458 4.157 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(Br)sc1Br ZINC000221013020 853875196 /nfs/dbraw/zinc/87/51/96/853875196.db2.gz DWTJWNUWSWELDX-UHFFFAOYSA-N 0 0 422.054 4.139 20 5 HIBDRN O=C(Nc1ccc(I)cc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000221650805 853875943 /nfs/dbraw/zinc/87/59/43/853875943.db2.gz HIPNBJCUBFYJKF-UHFFFAOYSA-N 0 0 408.604 4.167 20 5 HIBDRN O=C(Nc1ccc(I)cc1Cl)c1cc(F)cc([N+](=O)[O-])c1 ZINC000225216501 853879196 /nfs/dbraw/zinc/87/91/96/853879196.db2.gz IHXDZWYPQZZUIF-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN COC(=O)c1sc2[nH]c(C(Cl)=Cc3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000229927317 853893507 /nfs/dbraw/zinc/89/35/07/853893507.db2.gz UUZKXRFHVARVTM-IZZDOVSWSA-N 0 0 419.846 4.033 20 5 HIBDRN Cc1c(CNCc2ncc(Br)cc2Br)cccc1[N+](=O)[O-] ZINC000231883914 853897846 /nfs/dbraw/zinc/89/78/46/853897846.db2.gz NYMNMVXQDKXKMF-UHFFFAOYSA-N 0 0 415.085 4.113 20 5 HIBDRN CN(C)C(=O)COc1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000236966352 853944547 /nfs/dbraw/zinc/94/45/47/853944547.db2.gz YXCDJALGAKEMHO-UHFFFAOYSA-N 0 0 411.483 4.402 20 5 HIBDRN COc1cc(CNCc2nccn2C(F)F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237134250 853970465 /nfs/dbraw/zinc/97/04/65/853970465.db2.gz DPAJZVQZEFNYDI-UHFFFAOYSA-N 0 0 418.400 4.064 20 5 HIBDRN COCc1cccc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000237231432 853986288 /nfs/dbraw/zinc/98/62/88/853986288.db2.gz AFLXMDFCWSYGSA-UHFFFAOYSA-N 0 0 400.353 4.303 20 5 HIBDRN COc1ccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC)c1OC ZINC000237277438 853996093 /nfs/dbraw/zinc/99/60/93/853996093.db2.gz LLQBTETZCMQOTE-UHFFFAOYSA-N 0 0 415.471 4.034 20 5 HIBDRN COc1cc(CNCc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])cc1OC ZINC000237284244 853997579 /nfs/dbraw/zinc/99/75/79/853997579.db2.gz HBDXOEILTAALII-UHFFFAOYSA-N 0 0 408.454 4.481 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccc4c(c3)CCN4C(C)=O)o2)c([N+](=O)[O-])c1 ZINC000237428273 854031479 /nfs/dbraw/zinc/03/14/79/854031479.db2.gz MGINPKSTPJPXQS-UHFFFAOYSA-N 0 0 407.426 4.385 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CNCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cn2)n1 ZINC000237794024 854099099 /nfs/dbraw/zinc/09/90/99/854099099.db2.gz SVSRXLFCSXWGAM-UHFFFAOYSA-N 0 0 420.498 4.206 20 5 HIBDRN O=C1[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCN1c1ccccc1 ZINC000237906745 854118111 /nfs/dbraw/zinc/11/81/11/854118111.db2.gz JTBIROXLNONFDT-IBGZPJMESA-N 0 0 408.483 4.004 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNCc3cccnc3OCC(F)(F)F)cs2)c1 ZINC000237908757 854118139 /nfs/dbraw/zinc/11/81/39/854118139.db2.gz SELQDGOTBAOSCM-UHFFFAOYSA-N 0 0 424.404 4.344 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000437285510 862537761 /nfs/dbraw/zinc/53/77/61/862537761.db2.gz MYJRAVKUDNLNIJ-GOEBONIOSA-N 0 0 409.667 4.226 20 5 HIBDRN CC(=O)N[C@@H](CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000253489217 854207339 /nfs/dbraw/zinc/20/73/39/854207339.db2.gz DJKZVEYCOSNCMR-SFHVURJKSA-N 0 0 424.284 4.128 20 5 HIBDRN C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000255930044 854219639 /nfs/dbraw/zinc/21/96/39/854219639.db2.gz UYSJJJMKOLSAFP-JTQLQIEISA-N 0 0 404.835 4.418 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000255938697 854223368 /nfs/dbraw/zinc/22/33/68/854223368.db2.gz RTZRRFNTRYFAPI-GASCZTMLSA-N 0 0 410.474 4.288 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000437289528 862543663 /nfs/dbraw/zinc/54/36/63/862543663.db2.gz SXVQEFJAGGTDAS-IUODEOHRSA-N 0 0 424.881 4.301 20 5 HIBDRN Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000261383393 854242173 /nfs/dbraw/zinc/24/21/73/854242173.db2.gz HSNCLHCQWOUBTO-UHFFFAOYSA-N 0 0 406.485 4.257 20 5 HIBDRN CCN(CC1CC1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000261452524 854267562 /nfs/dbraw/zinc/26/75/62/854267562.db2.gz JBEXCCPVYLGLNL-UHFFFAOYSA-N 0 0 404.470 4.249 20 5 HIBDRN Cc1sc2nc(Sc3nc4sccn4c3[N+](=O)[O-])n(C(C)C)c(=O)c2c1C ZINC000301056290 854282642 /nfs/dbraw/zinc/28/26/42/854282642.db2.gz ADFIHODZGXEDSL-UHFFFAOYSA-N 0 0 421.529 4.424 20 5 HIBDRN C[C@H](c1nnc(Sc2ccc(F)cc2[N+](=O)[O-])n1-c1ccc(F)cc1)N(C)C ZINC000301065576 854285179 /nfs/dbraw/zinc/28/51/79/854285179.db2.gz CIZCCLZIPHOWLJ-LLVKDONJSA-N 0 0 405.430 4.228 20 5 HIBDRN O=C(c1ccc(N2CCC[C@@H]2c2ccccc2Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000301070728 854287357 /nfs/dbraw/zinc/28/73/57/854287357.db2.gz HEMQBHBNAXZQMR-GOSISDBHSA-N 0 0 415.877 4.062 20 5 HIBDRN O=C(c1ccc(N[C@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000301074866 854288096 /nfs/dbraw/zinc/28/80/96/854288096.db2.gz YSSIPNFDFDHIOZ-FQEVSTJZSA-N 0 0 415.877 4.284 20 5 HIBDRN Cc1cc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)ccc1[N+](=O)[O-] ZINC000301083226 854290678 /nfs/dbraw/zinc/29/06/78/854290678.db2.gz GVMQVIJEVJMODX-ZDUSSCGKSA-N 0 0 405.380 4.349 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1N1CCC(OC2CCCC2)CC1 ZINC000301091250 854293448 /nfs/dbraw/zinc/29/34/48/854293448.db2.gz FWKSWUXVPCUITH-UHFFFAOYSA-N 0 0 416.259 4.127 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1Sc1nnc(N2CCCC2)n1Cc1ccco1 ZINC000301101797 854296824 /nfs/dbraw/zinc/29/68/24/854296824.db2.gz YWDHOAVCBJBPKU-UHFFFAOYSA-N 0 0 405.867 4.232 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)n1cncn1 ZINC000301106072 854298012 /nfs/dbraw/zinc/29/80/12/854298012.db2.gz VYKYQRKOCCYQRU-LLVKDONJSA-N 0 0 420.351 4.148 20 5 HIBDRN Cc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c(C)s1 ZINC000301109234 854298357 /nfs/dbraw/zinc/29/83/57/854298357.db2.gz UBGYHAYDSVZLNI-CYBMUJFWSA-N 0 0 409.533 4.231 20 5 HIBDRN Cc1cc([C@H](C)Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c(C)s1 ZINC000301109235 854298604 /nfs/dbraw/zinc/29/86/04/854298604.db2.gz UBGYHAYDSVZLNI-ZDUSSCGKSA-N 0 0 409.533 4.231 20 5 HIBDRN C[C@H]1CN(c2ccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000301117003 854301256 /nfs/dbraw/zinc/30/12/56/854301256.db2.gz UTCXDNFLMBYTDQ-STQMWFEESA-N 0 0 410.396 4.234 20 5 HIBDRN CC(=O)c1ccc(N2CCO[C@@H](c3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 ZINC000301128980 854305339 /nfs/dbraw/zinc/30/53/39/854305339.db2.gz SFUKZEVYBZYDNZ-GOSISDBHSA-N 0 0 405.248 4.138 20 5 HIBDRN Cc1cc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301140980 854309254 /nfs/dbraw/zinc/30/92/54/854309254.db2.gz FOOHBDBEQCHDRT-IBGZPJMESA-N 0 0 412.396 4.216 20 5 HIBDRN O=c1[nH]cnc2cc(N[C@H]3CCc4c3cccc4Br)c([N+](=O)[O-])cc12 ZINC000301144766 854310337 /nfs/dbraw/zinc/31/03/37/854310337.db2.gz FPVATOMZKBENEH-ZDUSSCGKSA-N 0 0 401.220 4.106 20 5 HIBDRN O=C(Nc1ccc(F)cc1)C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301145689 854310799 /nfs/dbraw/zinc/31/07/99/854310799.db2.gz APOOGSQXOAUNBA-UHFFFAOYSA-N 0 0 422.254 4.352 20 5 HIBDRN COc1ccc([C@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1F ZINC000301152733 854313374 /nfs/dbraw/zinc/31/33/74/854313374.db2.gz DWFGRYBLAXYHGU-NSHDSACASA-N 0 0 418.812 4.115 20 5 HIBDRN O=C(Nc1ccccc1Br)C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301164285 854316614 /nfs/dbraw/zinc/31/66/14/854316614.db2.gz UVZNSRZABUWGNF-UHFFFAOYSA-N 0 0 422.254 4.352 20 5 HIBDRN Cc1[nH]c2ccccc2c1CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301174420 854319587 /nfs/dbraw/zinc/31/95/87/854319587.db2.gz YNZAEZKSNYGPMG-UHFFFAOYSA-N 0 0 403.442 4.004 20 5 HIBDRN C[C@@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc(F)cc1F ZINC000301199482 854326536 /nfs/dbraw/zinc/32/65/36/854326536.db2.gz VUSFVMNAVBKFDS-SNVBAGLBSA-N 0 0 406.776 4.245 20 5 HIBDRN CCOc1cccc([C@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)c1 ZINC000301203354 854327511 /nfs/dbraw/zinc/32/75/11/854327511.db2.gz XRDOAQBIMJIGLF-ZDUSSCGKSA-N 0 0 414.849 4.366 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Nc2ccc(OC(F)F)c(F)c2)c([N+](=O)[O-])c1 ZINC000301222362 854331923 /nfs/dbraw/zinc/33/19/23/854331923.db2.gz CSJOVIJFHXDSPO-UHFFFAOYSA-N 0 0 406.320 4.043 20 5 HIBDRN O=c1[nH]cnc2cc(N3CCC(c4c[nH]c5cc(F)ccc54)CC3)c([N+](=O)[O-])cc12 ZINC000301286640 854348806 /nfs/dbraw/zinc/34/88/06/854348806.db2.gz VNNJKEYBBNNISM-UHFFFAOYSA-N 0 0 407.405 4.248 20 5 HIBDRN Cn1c(COc2ccc(Cl)cc2)nnc1Sc1ncc([N+](=O)[O-])cc1Cl ZINC000301298937 854351279 /nfs/dbraw/zinc/35/12/79/854351279.db2.gz ZMTNDKXWUOBLPH-UHFFFAOYSA-N 0 0 412.258 4.155 20 5 HIBDRN COc1ccc(C)cc1-n1nnnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301314443 854356081 /nfs/dbraw/zinc/35/60/81/854356081.db2.gz KCMARKLUOKDMFG-UHFFFAOYSA-N 0 0 411.365 4.058 20 5 HIBDRN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1cc(Br)ccc1F ZINC000301371722 854373537 /nfs/dbraw/zinc/37/35/37/854373537.db2.gz PUOBONIPGINQJC-UHFFFAOYSA-N 0 0 410.199 4.065 20 5 HIBDRN O=c1c(Cl)c(NCC2(c3cccc(F)c3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000301374012 854374374 /nfs/dbraw/zinc/37/43/74/854374374.db2.gz VGYFORAQGWEUEB-UHFFFAOYSA-N 0 0 414.824 4.077 20 5 HIBDRN Cc1cc(F)ccc1N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000301403300 854383304 /nfs/dbraw/zinc/38/33/04/854383304.db2.gz RSVOUVFVIDUCNT-INIZCTEOSA-N 0 0 414.437 4.080 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1C(F)(F)F ZINC000301423764 854390614 /nfs/dbraw/zinc/39/06/14/854390614.db2.gz AWZSRLJQDZHRHX-UHFFFAOYSA-N 0 0 419.363 4.443 20 5 HIBDRN COc1ccc(Nc2ccc(Br)cc2[N+](=O)[O-])cc1N1CCOC1=O ZINC000301426591 854391406 /nfs/dbraw/zinc/39/14/06/854391406.db2.gz HCHXGPZFWMDYMD-UHFFFAOYSA-N 0 0 408.208 4.066 20 5 HIBDRN CCOc1cc(N2CCO[C@H](c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000301436478 854393965 /nfs/dbraw/zinc/39/39/65/854393965.db2.gz KDUCUEXUDJIDRJ-SFHVURJKSA-N 0 0 407.264 4.334 20 5 HIBDRN Cc1cc(NCC2(c3cccc(Br)c3)CCOCC2)ncc1[N+](=O)[O-] ZINC000301439401 854394877 /nfs/dbraw/zinc/39/48/77/854394877.db2.gz NXYJBTKZZPOFHH-UHFFFAOYSA-N 0 0 406.280 4.221 20 5 HIBDRN Cc1c(CO)cc([N+](=O)[O-])c(NCCc2c[nH]c3ccc(Cl)cc23)c1[N+](=O)[O-] ZINC000301440671 854395217 /nfs/dbraw/zinc/39/52/17/854395217.db2.gz IOZSFFNRQLLAJX-UHFFFAOYSA-N 0 0 404.810 4.093 20 5 HIBDRN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)n1 ZINC000301440550 854395288 /nfs/dbraw/zinc/39/52/88/854395288.db2.gz MKGCAFWXEZFVRO-CYBMUJFWSA-N 0 0 408.380 4.172 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1Oc1ccc2nnc(-c3ccccc3)n2n1 ZINC000301444996 854396035 /nfs/dbraw/zinc/39/60/35/854396035.db2.gz JPCPMUPRIBBYEA-UHFFFAOYSA-N 0 0 412.203 4.254 20 5 HIBDRN CC[C@H]1CN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000301448339 854397068 /nfs/dbraw/zinc/39/70/68/854397068.db2.gz SBNNSKKCQWWPDX-GHTZIAJQSA-N 0 0 423.513 4.087 20 5 HIBDRN Cc1cc(NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c(Cl)cc1[N+](=O)[O-] ZINC000301447367 854397191 /nfs/dbraw/zinc/39/71/91/854397191.db2.gz QVSAPSHLLDVDKF-MRXNPFEDSA-N 0 0 403.866 4.078 20 5 HIBDRN COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000301452013 854397731 /nfs/dbraw/zinc/39/77/31/854397731.db2.gz UGNSJAOGWPTNEY-HNNXBMFYSA-N 0 0 412.421 4.314 20 5 HIBDRN Cc1cc(Sc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000301454810 854398790 /nfs/dbraw/zinc/39/87/90/854398790.db2.gz VVHAQQGEOHKGEP-LBPRGKRZSA-N 0 0 418.910 4.306 20 5 HIBDRN Cc1cnc(Sc2nnc(-c3ccncc3)n2-c2ccccc2C)c([N+](=O)[O-])c1 ZINC000301464727 854401481 /nfs/dbraw/zinc/40/14/81/854401481.db2.gz WPNATDDNSAADTC-UHFFFAOYSA-N 0 0 404.455 4.401 20 5 HIBDRN O=C1CCCCN1CC1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301480492 854404603 /nfs/dbraw/zinc/40/46/03/854404603.db2.gz VYVRTOALBRTTMB-UHFFFAOYSA-N 0 0 419.831 4.496 20 5 HIBDRN C[C@@H](c1ccc(F)cc1)N(C)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301494915 854408060 /nfs/dbraw/zinc/40/80/60/854408060.db2.gz AIPFMESJGFQBRD-LBPRGKRZSA-N 0 0 402.813 4.131 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Br)c1 ZINC000301506801 854409802 /nfs/dbraw/zinc/40/98/02/854409802.db2.gz BNPFPODQULDCJO-OAHLLOKOSA-N 0 0 408.252 4.111 20 5 HIBDRN CN(C)c1cccc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1 ZINC000301509972 854410531 /nfs/dbraw/zinc/41/05/31/854410531.db2.gz BEEUCOKBCPWLMU-OAQYLSRUSA-N 0 0 408.502 4.238 20 5 HIBDRN O=[N+]([O-])c1cnc(NCCc2nc(-c3cccc(Cl)c3)no2)c(Br)c1 ZINC000301517435 854411575 /nfs/dbraw/zinc/41/15/75/854411575.db2.gz FSXUAFVGOKFFDL-UHFFFAOYSA-N 0 0 424.642 4.110 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1)c1ccccc1 ZINC000301527194 854413251 /nfs/dbraw/zinc/41/32/51/854413251.db2.gz JQUHBWAHWKDXDV-AWEZNQCLSA-N 0 0 407.392 4.260 20 5 HIBDRN CC(C)NC(=O)c1ccc(N2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000301540067 854415865 /nfs/dbraw/zinc/41/58/65/854415865.db2.gz RXBQZDDSXQUEBJ-MRXNPFEDSA-N 0 0 408.458 4.258 20 5 HIBDRN Cc1ccc(CNc2ncc([N+](=O)[O-])cc2Br)c(OC[C@H]2CCOC2)c1 ZINC000301544027 854417046 /nfs/dbraw/zinc/41/70/46/854417046.db2.gz DDLGMUQGWWDDRS-ZDUSSCGKSA-N 0 0 422.279 4.088 20 5 HIBDRN O=C(c1cc(N[C@@H]2CCN(c3cccc(Cl)c3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301570388 854421918 /nfs/dbraw/zinc/42/19/18/854421918.db2.gz XRALYHHEBNDKLJ-QGZVFWFLSA-N 0 0 414.893 4.175 20 5 HIBDRN COc1cc(N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])cc1F ZINC000301652658 854437407 /nfs/dbraw/zinc/43/74/07/854437407.db2.gz TXYIXVGKZNWISA-KRWDZBQOSA-N 0 0 400.328 4.339 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N[C@@H]2CCN(C(=O)C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301669036 854441230 /nfs/dbraw/zinc/44/12/30/854441230.db2.gz NLCBLXNKKQSLNR-LJQANCHMSA-N 0 0 407.470 4.029 20 5 HIBDRN CN(Cc1ccc(Br)s1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000301681738 854443857 /nfs/dbraw/zinc/44/38/57/854443857.db2.gz JYVIZJSAHMJDDF-UHFFFAOYSA-N 0 0 407.087 4.213 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1Sc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000301702824 854447699 /nfs/dbraw/zinc/44/76/99/854447699.db2.gz UIMNUXAOHMFTSH-UHFFFAOYSA-N 0 0 412.656 4.342 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000301752546 854459696 /nfs/dbraw/zinc/45/96/96/854459696.db2.gz VNTNJXWNFYYLOA-LBPRGKRZSA-N 0 0 403.801 4.216 20 5 HIBDRN CS[C@H]1CCCCN(c2nc(N3CCCC[C@H](SC)C3)c([N+](=O)[O-])s2)C1 ZINC000301759296 854460569 /nfs/dbraw/zinc/46/05/69/854460569.db2.gz FJHZAPSXBLLHDE-KBPBESRZSA-N 0 0 416.638 4.495 20 5 HIBDRN Cc1ccc(Br)cc1NC(=O)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301759182 854460768 /nfs/dbraw/zinc/46/07/68/854460768.db2.gz ZIRBZMICZNMUDW-UHFFFAOYSA-N 0 0 413.659 4.155 20 5 HIBDRN O=[N+]([O-])c1cnc(NCc2ccc(COC3CCOCC3)cc2)c(Br)c1 ZINC000301763897 854461530 /nfs/dbraw/zinc/46/15/30/854461530.db2.gz AKHIXBVYZVHZPW-UHFFFAOYSA-N 0 0 422.279 4.060 20 5 HIBDRN 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ZINC000303156283 854790721 /nfs/dbraw/zinc/79/07/21/854790721.db2.gz NVEIKUHDCSNDJW-HNNXBMFYSA-N 0 0 417.893 4.195 20 5 HIBDRN COc1ccccc1Oc1ccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000303203646 854815019 /nfs/dbraw/zinc/81/50/19/854815019.db2.gz YDDPWWAMDPZYPA-UHFFFAOYSA-N 0 0 410.430 4.238 20 5 HIBDRN O=c1c([N+](=O)[O-])cccn1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000303204998 854815897 /nfs/dbraw/zinc/81/58/97/854815897.db2.gz YNZFKAUVCKASFG-UHFFFAOYSA-N 0 0 406.829 4.311 20 5 HIBDRN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000303257244 854838660 /nfs/dbraw/zinc/83/86/60/854838660.db2.gz COVMRWZTZKWZOG-UHFFFAOYSA-N 0 0 408.458 4.404 20 5 HIBDRN CC(C)(C)c1csc(CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000303283341 854851146 /nfs/dbraw/zinc/85/11/46/854851146.db2.gz VDKJZFRGSHHPTO-UHFFFAOYSA-N 0 0 416.528 4.445 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000303327115 854873390 /nfs/dbraw/zinc/87/33/90/854873390.db2.gz IVQYXXKPICQPOS-UHFFFAOYSA-N 0 0 422.312 4.225 20 5 HIBDRN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303333543 854878108 /nfs/dbraw/zinc/87/81/08/854878108.db2.gz DDNDTVWCASUMIO-UHFFFAOYSA-N 0 0 417.830 4.395 20 5 HIBDRN C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000303361326 854891570 /nfs/dbraw/zinc/89/15/70/854891570.db2.gz ZSZAMFQTWJJVGQ-CQSZACIVSA-N 0 0 411.487 4.191 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)n2)cc1C ZINC000303363959 854893445 /nfs/dbraw/zinc/89/34/45/854893445.db2.gz IDJPJEOCQKANPR-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(NC2CCCC2)c1 ZINC000303416460 854917888 /nfs/dbraw/zinc/91/78/88/854917888.db2.gz BLFXXVKSTAWSFJ-UHFFFAOYSA-N 0 0 424.457 4.276 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(CCc2ccccc2)CC1 ZINC000303423777 854925779 /nfs/dbraw/zinc/92/57/79/854925779.db2.gz ADGCMRAFADDISN-UHFFFAOYSA-N 0 0 405.454 4.334 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2F)cc1OC ZINC000303441111 854940269 /nfs/dbraw/zinc/94/02/69/854940269.db2.gz BZCFVDOMHOPNGS-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000303457686 854958571 /nfs/dbraw/zinc/95/85/71/854958571.db2.gz KZCQZIPABUGMFF-MRXNPFEDSA-N 0 0 415.877 4.081 20 5 HIBDRN CCOc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC ZINC000303560337 855040068 /nfs/dbraw/zinc/04/00/68/855040068.db2.gz XAHXTYQQZFZNLC-KGLIPLIRSA-N 0 0 406.385 4.413 20 5 HIBDRN Cc1sc(C(=O)NCCCc2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000303634583 855091483 /nfs/dbraw/zinc/09/14/83/855091483.db2.gz GANKFXLKNFWINL-UHFFFAOYSA-N 0 0 401.257 4.229 20 5 HIBDRN CC(C)N(Cc1cccc(Cl)c1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303672820 855123677 /nfs/dbraw/zinc/12/36/77/855123677.db2.gz KDCHZMWTHHYTOE-UHFFFAOYSA-N 0 0 424.284 4.069 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303704874 855142725 /nfs/dbraw/zinc/14/27/25/855142725.db2.gz SGXDXVKUWSMKNX-VIFPVBQESA-N 0 0 416.343 4.419 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCCN(Cc2ccccc2)c2ccccc21 ZINC000303774689 855190705 /nfs/dbraw/zinc/19/07/05/855190705.db2.gz RIVXIKQRRUWENG-UHFFFAOYSA-N 0 0 417.465 4.417 20 5 HIBDRN CCc1ccc([C@H](COC)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)o1 ZINC000303857671 855252607 /nfs/dbraw/zinc/25/26/07/855252607.db2.gz GRUFQKQWYSRMPE-SFHVURJKSA-N 0 0 415.490 4.104 20 5 HIBDRN CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000303920237 855291533 /nfs/dbraw/zinc/29/15/33/855291533.db2.gz VRKYBXMYEVBUQX-ZWKOTPCHSA-N 0 0 400.479 4.061 20 5 HIBDRN COc1ccc(OCCSc2nnc(-c3ccc(C)cc3C)o2)c([N+](=O)[O-])c1 ZINC000303923097 855293429 /nfs/dbraw/zinc/29/34/29/855293429.db2.gz PDVMMFAOGYIMBP-UHFFFAOYSA-N 0 0 401.444 4.441 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1Cl ZINC000303931824 855299844 /nfs/dbraw/zinc/29/98/44/855299844.db2.gz VOCXIWAAXFCOJD-FQEVSTJZSA-N 0 0 411.845 4.480 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000303975273 855332609 /nfs/dbraw/zinc/33/26/09/855332609.db2.gz VEGZEXMLGNOIRG-WMZOPIPTSA-N 0 0 400.500 4.141 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](COCc2ccccc2)C1 ZINC000303980066 855334598 /nfs/dbraw/zinc/33/45/98/855334598.db2.gz XDWVQBZDNZODQP-KRWDZBQOSA-N 0 0 423.494 4.397 20 5 HIBDRN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000303984366 855335732 /nfs/dbraw/zinc/33/57/32/855335732.db2.gz HJAFIDVQLBEYTP-INIZCTEOSA-N 0 0 403.438 4.267 20 5 HIBDRN O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000437373502 862675385 /nfs/dbraw/zinc/67/53/85/862675385.db2.gz ZXONXILGHLJPPG-UHFFFAOYSA-N 0 0 413.783 4.229 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1csc(I)c1 ZINC000305960897 855362136 /nfs/dbraw/zinc/36/21/36/855362136.db2.gz BOKCIJZHGGPTGC-UHFFFAOYSA-N 0 0 408.604 4.167 20 5 HIBDRN C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000437373224 862674202 /nfs/dbraw/zinc/67/42/02/862674202.db2.gz LERKMKVCKYFJCF-RDTXWAMCSA-N 0 0 404.850 4.006 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1I ZINC000385110098 855440682 /nfs/dbraw/zinc/44/06/82/855440682.db2.gz SGUKRSATFDSIDP-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1I ZINC000389379187 855450286 /nfs/dbraw/zinc/45/02/86/855450286.db2.gz BSLBPOLBGOWYSJ-UHFFFAOYSA-N 0 0 414.174 4.208 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccncc1Br ZINC000395860788 855471845 /nfs/dbraw/zinc/47/18/45/855471845.db2.gz BFASDPXXBANQGM-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN O=C(NCc1csc(Br)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000397973550 855473894 /nfs/dbraw/zinc/47/38/94/855473894.db2.gz JPBHBNVECLSUNR-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2nnc(C(F)F)s2)cc1[N+](=O)[O-])c1ccccn1 ZINC000409463217 855492060 /nfs/dbraw/zinc/49/20/60/855492060.db2.gz JIJJQGWKEDGBID-VIFPVBQESA-N 0 0 420.401 4.204 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000409467269 855494639 /nfs/dbraw/zinc/49/46/39/855494639.db2.gz YTSMXNCIYHKXQD-UHFFFAOYSA-N 0 0 413.430 4.330 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000409545791 855535688 /nfs/dbraw/zinc/53/56/88/855535688.db2.gz ANHQDPFBIAAVIP-NFBKMPQASA-N 0 0 423.513 4.095 20 5 HIBDRN C[C@]1(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])CCCc2ccccc21 ZINC000409578234 855550587 /nfs/dbraw/zinc/55/05/87/855550587.db2.gz VVWGXUYEZBNJIZ-QGZVFWFLSA-N 0 0 409.305 4.443 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000409582762 855552098 /nfs/dbraw/zinc/55/20/98/855552098.db2.gz SEJDHVRWALNHMF-OQPBUACISA-N 0 0 417.256 4.064 20 5 HIBDRN C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000437383753 862699058 /nfs/dbraw/zinc/69/90/58/862699058.db2.gz YCKGROIUGDAOSA-LBPRGKRZSA-N 0 0 421.375 4.304 20 5 HIBDRN Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c(-c2nc3ccccc3[nH]2)c1 ZINC000409610019 855563029 /nfs/dbraw/zinc/56/30/29/855563029.db2.gz DELGLZRRPNLHID-UHFFFAOYSA-N 0 0 402.410 4.464 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000409640237 855577099 /nfs/dbraw/zinc/57/70/99/855577099.db2.gz RPYLSFJJEIJDAT-ZDUSSCGKSA-N 0 0 405.296 4.274 20 5 HIBDRN C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000409666854 855592659 /nfs/dbraw/zinc/59/26/59/855592659.db2.gz CXRKUOPJDIDSIE-LBPRGKRZSA-N 0 0 409.471 4.179 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCCC12CCOCC2 ZINC000409801607 855660179 /nfs/dbraw/zinc/66/01/79/855660179.db2.gz PQBFIOABPOLFMM-HNNXBMFYSA-N 0 0 418.437 4.171 20 5 HIBDRN Cc1ccc(-n2nc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c3c2CCC3)c(F)c1 ZINC000409824347 855673742 /nfs/dbraw/zinc/67/37/42/855673742.db2.gz UKLGGTLREXLYRQ-AWEZNQCLSA-N 0 0 408.433 4.208 20 5 HIBDRN O=C(CCSCc1ccn(-c2ccccc2F)n1)Nc1ccccc1[N+](=O)[O-] ZINC000409850608 855687135 /nfs/dbraw/zinc/68/71/35/855687135.db2.gz UZKUTXWIUHTSEX-UHFFFAOYSA-N 0 0 400.435 4.182 20 5 HIBDRN O=C(CCSCc1ccc(OCC(F)(F)F)nc1)Nc1ccccc1[N+](=O)[O-] ZINC000409854177 855689081 /nfs/dbraw/zinc/68/90/81/855689081.db2.gz GDCGWNUJIYERRK-UHFFFAOYSA-N 0 0 415.393 4.193 20 5 HIBDRN CCOc1ccc(C(C)=O)cc1CSCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000409864433 855694228 /nfs/dbraw/zinc/69/42/28/855694228.db2.gz BAWVTVUQZRHVEE-UHFFFAOYSA-N 0 0 402.472 4.458 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000409936120 855733238 /nfs/dbraw/zinc/73/32/38/855733238.db2.gz DTUYZKQCTFEACP-UHFFFAOYSA-N 0 0 411.849 4.053 20 5 HIBDRN COc1cc(C(=O)N(C)Cc2ccc(F)cc2Cl)c([N+](=O)[O-])cc1OC(F)F ZINC000409964345 855748285 /nfs/dbraw/zinc/74/82/85/855748285.db2.gz PIIOAJANEYZKLR-UHFFFAOYSA-N 0 0 418.755 4.270 20 5 HIBDRN CN(Cc1ccc(F)cc1Cl)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000409965889 855749385 /nfs/dbraw/zinc/74/93/85/855749385.db2.gz UCOFVLHFXWUMRL-UHFFFAOYSA-N 0 0 402.813 4.060 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000409970474 855752953 /nfs/dbraw/zinc/75/29/53/855752953.db2.gz KJCXGMDIHJJRJO-WBMJQRKESA-N 0 0 410.396 4.118 20 5 HIBDRN O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000409980613 855760075 /nfs/dbraw/zinc/76/00/75/855760075.db2.gz ZQSSYFSDFXCNBH-UHFFFAOYSA-N 0 0 401.382 4.240 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000409983802 855761629 /nfs/dbraw/zinc/76/16/29/855761629.db2.gz NRHBBQYDHXXDNL-MRXNPFEDSA-N 0 0 408.458 4.330 20 5 HIBDRN CCCc1noc2nc(CC)cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c12 ZINC000409983615 855761990 /nfs/dbraw/zinc/76/19/90/855761990.db2.gz MSMMKFKXQUBLAK-UHFFFAOYSA-N 0 0 408.458 4.451 20 5 HIBDRN Cc1c(CNC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)cccc1[N+](=O)[O-] ZINC000409984892 855763161 /nfs/dbraw/zinc/76/31/61/855763161.db2.gz UEIIKZBVEXXHGI-XLIONFOSSA-N 0 0 415.287 4.186 20 5 HIBDRN Cc1cc(C)cc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000410039155 855792736 /nfs/dbraw/zinc/79/27/36/855792736.db2.gz RUERNXPUNWRIII-DYESRHJHSA-N 0 0 409.486 4.002 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000410041117 855793610 /nfs/dbraw/zinc/79/36/10/855793610.db2.gz ADQWMRNMCNYLDN-XMMPIXPASA-N 0 0 402.450 4.368 20 5 HIBDRN Cc1cc(OCC(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000437392857 862723293 /nfs/dbraw/zinc/72/32/93/862723293.db2.gz DJWUDCTVIPSSOQ-KOMQPUFPSA-N 0 0 408.376 4.363 20 5 HIBDRN O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)c1ccccc1[N+](=O)[O-] ZINC000410095238 855817297 /nfs/dbraw/zinc/81/72/97/855817297.db2.gz QMCRWRNPJLQMCJ-UHFFFAOYSA-N 0 0 423.223 4.267 20 5 HIBDRN O=C(N[C@H]1CCOc2c(Br)cccc21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000410255661 855884617 /nfs/dbraw/zinc/88/46/17/855884617.db2.gz XJPPNFXKHRTVLC-AWEZNQCLSA-N 0 0 417.215 4.357 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1CCCC(F)(F)C1 ZINC000410261766 855887916 /nfs/dbraw/zinc/88/79/16/855887916.db2.gz SLOXCIBAOQPEJC-LLVKDONJSA-N 0 0 409.355 4.357 20 5 HIBDRN C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc(-c2ccccc2)cs1 ZINC000410292504 855909545 /nfs/dbraw/zinc/90/95/45/855909545.db2.gz XXWRLPFQCVAYBH-CQSZACIVSA-N 0 0 419.466 4.395 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H](c2ccccc2F)C1 ZINC000410296862 855912634 /nfs/dbraw/zinc/91/26/34/855912634.db2.gz NYQDOMSXWHGNSH-GFCCVEGCSA-N 0 0 412.339 4.305 20 5 HIBDRN CCCn1nccc1C1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000410309251 855919773 /nfs/dbraw/zinc/91/97/73/855919773.db2.gz SCMZUQKAQGJWDG-AWEZNQCLSA-N 0 0 420.897 4.028 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1c(F)cccc1Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000410319322 855925865 /nfs/dbraw/zinc/92/58/65/855925865.db2.gz URHAAPHYIMEZQM-CQSZACIVSA-N 0 0 423.400 4.342 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000410411080 855981398 /nfs/dbraw/zinc/98/13/98/855981398.db2.gz ZLMWRSJNTHEKNN-UHFFFAOYSA-N 0 0 401.316 4.116 20 5 HIBDRN CCC(C)(C)OCc1cccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000425987490 856032506 /nfs/dbraw/zinc/03/25/06/856032506.db2.gz ZVVOTDFXEXKZTC-UHFFFAOYSA-N 0 0 422.503 4.418 20 5 HIBDRN Cc1nccn1-c1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1F ZINC000425992257 856034439 /nfs/dbraw/zinc/03/44/39/856034439.db2.gz BXBQSVNPMDLXHU-UHFFFAOYSA-N 0 0 423.448 4.102 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426004584 856041495 /nfs/dbraw/zinc/04/14/95/856041495.db2.gz PQBBMFSJORFMAD-KNQAVFIVSA-N 0 0 409.486 4.437 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1COc2ccc(Cl)cc21 ZINC000426040022 856065488 /nfs/dbraw/zinc/06/54/88/856065488.db2.gz RJHUGVOHNXPLMR-AWEZNQCLSA-N 0 0 415.755 4.200 20 5 HIBDRN O=C(NCC1(c2ccccc2)CCOCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426055005 856076276 /nfs/dbraw/zinc/07/62/76/856076276.db2.gz NMUQUVGJDDUEHZ-UHFFFAOYSA-N 0 0 409.486 4.017 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)cc1[N+](=O)[O-] ZINC000426064255 856082026 /nfs/dbraw/zinc/08/20/26/856082026.db2.gz XFYVVRWOCYZDGW-UHFFFAOYSA-N 0 0 402.204 4.172 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000426075398 856089568 /nfs/dbraw/zinc/08/95/68/856089568.db2.gz XPUYVNIZNXOKMQ-CRAIPNDOSA-N 0 0 423.391 4.191 20 5 HIBDRN O=C(NCCc1cc(F)c(F)c(F)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426208195 856177166 /nfs/dbraw/zinc/17/71/66/856177166.db2.gz ZRZZDQTZQDGKGV-UHFFFAOYSA-N 0 0 421.297 4.073 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000426258100 856205634 /nfs/dbraw/zinc/20/56/34/856205634.db2.gz SMLAHPBJGUZYKK-KRWDZBQOSA-N 0 0 422.407 4.400 20 5 HIBDRN CC(C)C[C@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000426256754 856205863 /nfs/dbraw/zinc/20/58/63/856205863.db2.gz TZVICXMJNXACDD-HOCLYGCPSA-N 0 0 403.401 4.007 20 5 HIBDRN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426262845 856209148 /nfs/dbraw/zinc/20/91/48/856209148.db2.gz HFNLIBYXZAPQRB-XIKOKIGWSA-N 0 0 423.391 4.147 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCc2cc(F)c(F)cc21 ZINC000426268814 856212399 /nfs/dbraw/zinc/21/23/99/856212399.db2.gz UQPWTEZPUHKPJQ-UHFFFAOYSA-N 0 0 401.291 4.164 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000426274750 856214869 /nfs/dbraw/zinc/21/48/69/856214869.db2.gz BFIBGVYEDRLZCR-AWEZNQCLSA-N 0 0 411.355 4.452 20 5 HIBDRN CCOc1ccc(CN(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000426282661 856219903 /nfs/dbraw/zinc/21/99/03/856219903.db2.gz UDCWXYYJEYVCOU-UHFFFAOYSA-N 0 0 411.380 4.354 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NC[C@H]3CCC(C)(C)O3)cc2[N+](=O)[O-])n1 ZINC000426314289 856240345 /nfs/dbraw/zinc/24/03/45/856240345.db2.gz PDCIQMWCOSNYBQ-CYBMUJFWSA-N 0 0 407.517 4.198 20 5 HIBDRN Cc1c(CC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cccc1[N+](=O)[O-] ZINC000426316962 856242090 /nfs/dbraw/zinc/24/20/90/856242090.db2.gz KYSHCPCOBSSUJB-UHFFFAOYSA-N 0 0 402.863 4.180 20 5 HIBDRN CC(C)(C)c1csc(CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000426395520 856273300 /nfs/dbraw/zinc/27/33/00/856273300.db2.gz JLORAMWRLGBYSO-UHFFFAOYSA-N 0 0 402.520 4.266 20 5 HIBDRN CC(C)(c1nc(Cc2ccc(Oc3ncccn3)cc2)no1)c1ccccc1[N+](=O)[O-] ZINC000426409670 856278629 /nfs/dbraw/zinc/27/86/29/856278629.db2.gz HYHKAQPGRBZURX-UHFFFAOYSA-N 0 0 417.425 4.477 20 5 HIBDRN O=C(N[C@H]1CCc2c1cccc2O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426449762 856295674 /nfs/dbraw/zinc/29/56/74/856295674.db2.gz VNJLUGJVTYDXQU-FQEVSTJZSA-N 0 0 404.422 4.297 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437416958 862786704 /nfs/dbraw/zinc/78/67/04/862786704.db2.gz YIPRQBBBVPGLFT-KOMQPUFPSA-N 0 0 411.845 4.238 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccccc1)c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000426595241 856365094 /nfs/dbraw/zinc/36/50/94/856365094.db2.gz XHWXKUYGFVANPR-SFHVURJKSA-N 0 0 408.458 4.431 20 5 HIBDRN Cc1cn2c(nc(C)c2-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)s1 ZINC000426627068 856380864 /nfs/dbraw/zinc/38/08/64/856380864.db2.gz ZUAKLVDDPDVION-UHFFFAOYSA-N 0 0 420.248 4.400 20 5 HIBDRN CC(C)(CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426638144 856387373 /nfs/dbraw/zinc/38/73/73/856387373.db2.gz OVLPEAXEHHCASH-UHFFFAOYSA-N 0 0 422.485 4.428 20 5 HIBDRN C[C@@H](CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426641868 856389043 /nfs/dbraw/zinc/38/90/43/856389043.db2.gz CIDVTWURFMNTTR-INIZCTEOSA-N 0 0 408.458 4.038 20 5 HIBDRN CC(C)C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426644933 856391113 /nfs/dbraw/zinc/39/11/13/856391113.db2.gz FPHXKKOBXNNCTN-HXUWFJFHSA-N 0 0 408.458 4.036 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426646323 856392428 /nfs/dbraw/zinc/39/24/28/856392428.db2.gz IOGXQUNESVTRMB-IBGZPJMESA-N 0 0 405.410 4.122 20 5 HIBDRN CC(C)CC[C@](C)(O)CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426677061 856408356 /nfs/dbraw/zinc/40/83/56/856408356.db2.gz IXTTVNQFHGCIFH-QFIPXVFZSA-N 0 0 400.475 4.091 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](Nc2ccccc2)C1 ZINC000426685166 856411971 /nfs/dbraw/zinc/41/19/71/856411971.db2.gz GQJGPBPQFODHIP-HNNXBMFYSA-N 0 0 404.264 4.074 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](Nc2ccccc2)C1 ZINC000426686926 856412985 /nfs/dbraw/zinc/41/29/85/856412985.db2.gz HSADEVAYTYTQOJ-INIZCTEOSA-N 0 0 418.291 4.003 20 5 HIBDRN CSCC[C@@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426712102 856428496 /nfs/dbraw/zinc/42/84/96/856428496.db2.gz UNXNAJJOXGOFJR-CQSZACIVSA-N 0 0 410.879 4.336 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000426731938 856440355 /nfs/dbraw/zinc/44/03/55/856440355.db2.gz QZSFZMFXQDNYQK-YUNLISADSA-N 0 0 413.396 4.030 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCCCC[C@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426754743 856457370 /nfs/dbraw/zinc/45/73/70/856457370.db2.gz SSGJAEGZCYQSDF-SJLPKXTDSA-N 0 0 402.447 4.377 20 5 HIBDRN O=C([O-])[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426755756 856459054 /nfs/dbraw/zinc/45/90/54/856459054.db2.gz FRNAUPQLXBOKQV-SFHVURJKSA-N 0 0 418.808 4.433 20 5 HIBDRN COCc1nc(CSCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cs1 ZINC000437424080 862800863 /nfs/dbraw/zinc/80/08/63/862800863.db2.gz DHEJSSRNSGEYSR-UHFFFAOYSA-N 0 0 406.432 4.241 20 5 HIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000426813463 856493593 /nfs/dbraw/zinc/49/35/93/856493593.db2.gz XKLSCNMGJYMNRI-AWEZNQCLSA-N 0 0 402.756 4.053 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1OC1CCCC1 ZINC000426885712 856526923 /nfs/dbraw/zinc/52/69/23/856526923.db2.gz DVDMQLBZYUQGAB-AWEZNQCLSA-N 0 0 414.458 4.424 20 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O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000426990044 856582229 /nfs/dbraw/zinc/58/22/29/856582229.db2.gz FYMXAUJTLAVFLF-OAHLLOKOSA-N 0 0 414.405 4.497 20 5 HIBDRN O=C(N[C@@H](c1ccco1)c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000426999780 856588662 /nfs/dbraw/zinc/58/86/62/856588662.db2.gz MGAPUWFYFVRLPN-QGZVFWFLSA-N 0 0 401.216 4.470 20 5 HIBDRN COc1cc(CS(=O)(=O)[C@@H](C)c2cccc(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000437449115 862815058 /nfs/dbraw/zinc/81/50/58/862815058.db2.gz NZRUQQJLHJDDME-LBPRGKRZSA-N 0 0 415.414 4.189 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3OC)cc2)cc1 ZINC000427102503 856637896 /nfs/dbraw/zinc/63/78/96/856637896.db2.gz GSFZITADOFZKKZ-UHFFFAOYSA-N 0 0 421.409 4.117 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)n1 ZINC000427111980 856644583 /nfs/dbraw/zinc/64/45/83/856644583.db2.gz XVUSOMPHVOMMDN-UHFFFAOYSA-N 0 0 412.258 4.494 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Sc2nc(C)cc(C)n2)cc1 ZINC000427121943 856652189 /nfs/dbraw/zinc/65/21/89/856652189.db2.gz NCNQCCVECXBQHU-UHFFFAOYSA-N 0 0 410.455 4.414 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000427124998 856653337 /nfs/dbraw/zinc/65/33/37/856653337.db2.gz YIDIVJJYORSJEP-UHFFFAOYSA-N 0 0 421.240 4.407 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)[C@H](C)c1ccc(Br)cc1 ZINC000427166526 856685350 /nfs/dbraw/zinc/68/53/50/856685350.db2.gz FLYONKBUDFFDOG-LLVKDONJSA-N 0 0 414.277 4.042 20 5 HIBDRN O=C(CCCc1nnc(-c2ccccc2)o1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437462276 862825533 /nfs/dbraw/zinc/82/55/33/862825533.db2.gz NLCJNYQCVMWUEU-UHFFFAOYSA-N 0 0 406.442 4.159 20 5 HIBDRN O=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000427187550 856700182 /nfs/dbraw/zinc/70/01/82/856700182.db2.gz RNXNIKSSXWZJPP-UHFFFAOYSA-N 0 0 414.220 4.130 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000427200772 856708980 /nfs/dbraw/zinc/70/89/80/856708980.db2.gz SATNTHBRYJYIRH-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN COc1ccc(Cl)cc1NCCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437464986 862828208 /nfs/dbraw/zinc/82/82/08/862828208.db2.gz ZDGLZSFIRCFBQN-UHFFFAOYSA-N 0 0 403.866 4.250 20 5 HIBDRN CCCCC[C@H]1CCCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000427221180 856719908 /nfs/dbraw/zinc/71/99/08/856719908.db2.gz YMPFVJVZTHKSEE-HNNXBMFYSA-N 0 0 403.508 4.059 20 5 HIBDRN CCc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cnn1CCC(C)C ZINC000427229705 856724933 /nfs/dbraw/zinc/72/49/33/856724933.db2.gz LMAKGJIIKMJOPZ-UHFFFAOYSA-N 0 0 409.284 4.415 20 5 HIBDRN O=C(c1cc2ccccc2n1CC(F)(F)F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000427238410 856730522 /nfs/dbraw/zinc/73/05/22/856730522.db2.gz JGLYTZNXPSWJIN-UHFFFAOYSA-N 0 0 419.359 4.015 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1O ZINC000427257706 856740579 /nfs/dbraw/zinc/74/05/79/856740579.db2.gz QLBDGQXLHLGHAW-UHFFFAOYSA-N 0 0 421.453 4.193 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000437468313 862830977 /nfs/dbraw/zinc/83/09/77/862830977.db2.gz OMVOUTGMOKDDLK-LAUBAEHRSA-N 0 0 402.878 4.383 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000427332232 856776486 /nfs/dbraw/zinc/77/64/86/856776486.db2.gz SXRKLXXUUWOHTH-HNNXBMFYSA-N 0 0 420.849 4.457 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccccc3Cl)c2C(C)C)n1 ZINC000427342698 856781222 /nfs/dbraw/zinc/78/12/22/856781222.db2.gz QYZLZAVBTQVZNL-UHFFFAOYSA-N 0 0 402.842 4.026 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)n1 ZINC000427350684 856786525 /nfs/dbraw/zinc/78/65/25/856786525.db2.gz VCSOCQQOWRKBTB-LLVKDONJSA-N 0 0 424.301 4.254 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)n1 ZINC000427365542 856797820 /nfs/dbraw/zinc/79/78/20/856797820.db2.gz KBWKZTQQJGCVMW-QGZVFWFLSA-N 0 0 402.813 4.123 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2cc(C)cc(C)c2)c2cccc(OC)c2)n1 ZINC000427386629 856803323 /nfs/dbraw/zinc/80/33/23/856803323.db2.gz JBFQULSBXDEHIA-FQEVSTJZSA-N 0 0 422.485 4.150 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(CC)(CC)c3cc(Br)ccc32)n1 ZINC000427387996 856803443 /nfs/dbraw/zinc/80/34/43/856803443.db2.gz XXBPWNWGSPREBU-UHFFFAOYSA-N 0 0 421.295 4.292 20 5 HIBDRN CCc1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cnn1CCC(C)C ZINC000427405185 856808024 /nfs/dbraw/zinc/80/80/24/856808024.db2.gz DMZQPNBJONUPRT-UHFFFAOYSA-N 0 0 409.284 4.415 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)n1 ZINC000427405047 856808086 /nfs/dbraw/zinc/80/80/86/856808086.db2.gz OVMYLKXLDWEQPI-QGZVFWFLSA-N 0 0 420.803 4.262 20 5 HIBDRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)o1 ZINC000437478449 862838260 /nfs/dbraw/zinc/83/82/60/862838260.db2.gz BXTFMMAGWPCDRG-CJNGLKHVSA-N 0 0 402.447 4.381 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000437481496 862839826 /nfs/dbraw/zinc/83/98/26/862839826.db2.gz AYAJGOGYLHECRX-XXBNENTESA-N 0 0 411.502 4.379 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000437482904 862841061 /nfs/dbraw/zinc/84/10/61/862841061.db2.gz FBTOGYJAIXQXOE-OPAMFIHVSA-N 0 0 421.453 4.055 20 5 HIBDRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)o1 ZINC000437483835 862842391 /nfs/dbraw/zinc/84/23/91/862842391.db2.gz SOBAMLPQECBSLL-KSSFIOAISA-N 0 0 402.447 4.137 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000427573235 856872443 /nfs/dbraw/zinc/87/24/43/856872443.db2.gz QSPBOXMLIJLOFH-UHFFFAOYSA-N 0 0 403.438 4.227 20 5 HIBDRN CCOc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(Cl)c1O ZINC000427602721 856883803 /nfs/dbraw/zinc/88/38/03/856883803.db2.gz RHEYMSQAHAOEHD-UHFFFAOYSA-N 0 0 418.755 4.301 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Oc3ccnc4ccccc43)c2)n1 ZINC000427600442 856883973 /nfs/dbraw/zinc/88/39/73/856883973.db2.gz GGQUNWNTZSYFJV-UHFFFAOYSA-N 0 0 403.398 4.404 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c[nH]nc1-c1ccccc1F ZINC000427603511 856885282 /nfs/dbraw/zinc/88/52/82/856885282.db2.gz VEGNCWITYRVVJP-UHFFFAOYSA-N 0 0 408.311 4.073 20 5 HIBDRN Cn1cc(Nc2cccc(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2)cn1 ZINC000427605921 856886238 /nfs/dbraw/zinc/88/62/38/856886238.db2.gz FHPYHGQXYDFTFM-UHFFFAOYSA-N 0 0 419.363 4.021 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CC[C@H](C)C(F)(F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000427651468 856897470 /nfs/dbraw/zinc/89/74/70/856897470.db2.gz QEPFDRAWOOJOMB-KBPBESRZSA-N 0 0 404.417 4.280 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)CCCC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000427724734 856923031 /nfs/dbraw/zinc/92/30/31/856923031.db2.gz AQWIFKDCIPTNJU-MRVPVSSYSA-N 0 0 400.300 4.056 20 5 HIBDRN CSc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000427737851 856932441 /nfs/dbraw/zinc/93/24/41/856932441.db2.gz XSEMLYZWGNPDMG-UHFFFAOYSA-N 0 0 404.463 4.277 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000427751790 856938941 /nfs/dbraw/zinc/93/89/41/856938941.db2.gz IECXGFZKZLBVRA-UHFFFAOYSA-N 0 0 401.875 4.337 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000427766320 856945135 /nfs/dbraw/zinc/94/51/35/856945135.db2.gz XRTDBEYLBBCSHV-UHFFFAOYSA-N 0 0 421.844 4.045 20 5 HIBDRN CCCCCn1cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccc21 ZINC000427795200 856958229 /nfs/dbraw/zinc/95/82/29/856958229.db2.gz GAHGRYCXOPZSNM-UHFFFAOYSA-N 0 0 409.490 4.414 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000427803596 856962706 /nfs/dbraw/zinc/96/27/06/856962706.db2.gz BIZRWUGXDBZFCT-UHFFFAOYSA-N 0 0 415.298 4.396 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000437505161 862857234 /nfs/dbraw/zinc/85/72/34/862857234.db2.gz WVCZPYKWPNGKNP-UHFFFAOYSA-N 0 0 422.268 4.340 20 5 HIBDRN O=C(Nc1nc2c(s1)CCCCC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000437515320 862862200 /nfs/dbraw/zinc/86/22/00/862862200.db2.gz MEJBNYQMTRGLKY-UHFFFAOYSA-N 0 0 416.503 4.396 20 5 HIBDRN CC(C)(C)c1ccccc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427852962 856982402 /nfs/dbraw/zinc/98/24/02/856982402.db2.gz NHAOYZROUFPLMR-UHFFFAOYSA-N 0 0 423.391 4.166 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1ccc(O)cc1)CC1CC1 ZINC000427868872 856988190 /nfs/dbraw/zinc/98/81/90/856988190.db2.gz BGXSCCKUAXOFEY-UHFFFAOYSA-N 0 0 419.275 4.044 20 5 HIBDRN C[C@H]1C[C@H]1c1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C2CC2)o1 ZINC000427911212 857003618 /nfs/dbraw/zinc/00/36/18/857003618.db2.gz ZVILEHOWRKNJHG-KBXCAEBGSA-N 0 0 421.453 4.429 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1NCC(F)(F)F ZINC000427913590 857004630 /nfs/dbraw/zinc/00/46/30/857004630.db2.gz JNJPRVKAPICNIV-UHFFFAOYSA-N 0 0 420.347 4.135 20 5 HIBDRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000428077065 857065401 /nfs/dbraw/zinc/06/54/01/857065401.db2.gz WCYXFKPOKVKJOL-UHFFFAOYSA-N 0 0 401.850 4.181 20 5 HIBDRN C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437527325 862867570 /nfs/dbraw/zinc/86/75/70/862867570.db2.gz KUGWJBOQXKICDA-NYHFZMIOSA-N 0 0 423.469 4.131 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1Cc1ccccc1 ZINC000428172698 857096177 /nfs/dbraw/zinc/09/61/77/857096177.db2.gz VSPXBBKQNMHTMA-INIZCTEOSA-N 0 0 403.276 4.134 20 5 HIBDRN CCOC(=O)c1cc(N2CCC[C@@H]2c2nc3ccccc3n2CC)ccc1[N+](=O)[O-] ZINC000428175287 857097255 /nfs/dbraw/zinc/09/72/55/857097255.db2.gz HZIVVPAQXWZYCN-HXUWFJFHSA-N 0 0 408.458 4.483 20 5 HIBDRN COc1cc(OC)c(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl ZINC000437539586 862874314 /nfs/dbraw/zinc/87/43/14/862874314.db2.gz USDUVKRDCAKFGL-UHFFFAOYSA-N 0 0 405.838 4.462 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)cc1SC ZINC000428271371 857135196 /nfs/dbraw/zinc/13/51/96/857135196.db2.gz ZGOLNBBYZCSQFI-NSHDSACASA-N 0 0 410.879 4.176 20 5 HIBDRN Cc1cc(C)c(NC(=O)CN(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000428369560 857178720 /nfs/dbraw/zinc/17/87/20/857178720.db2.gz JPEKZCKRRSCDCP-QGZVFWFLSA-N 0 0 412.490 4.170 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(c2ncccc2Cl)CC1 ZINC000428433650 857201677 /nfs/dbraw/zinc/20/16/77/857201677.db2.gz IBETVOYHQMCXPZ-UHFFFAOYSA-N 0 0 414.893 4.263 20 5 HIBDRN CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000428507293 857232218 /nfs/dbraw/zinc/23/22/18/857232218.db2.gz ADGOUKQAMZSJHP-INIZCTEOSA-N 0 0 420.453 4.262 20 5 HIBDRN CC[C@@]1(CO)CCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000428527047 857241493 /nfs/dbraw/zinc/24/14/93/857241493.db2.gz AMTAVTKSCDIXIW-LJQANCHMSA-N 0 0 421.544 4.136 20 5 HIBDRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)CC2 ZINC000428539119 857250387 /nfs/dbraw/zinc/25/03/87/857250387.db2.gz YSTGBNDGWPLYEJ-IBGZPJMESA-N 0 0 400.500 4.220 20 5 HIBDRN CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)CC2 ZINC000428539124 857251449 /nfs/dbraw/zinc/25/14/49/857251449.db2.gz YSTGBNDGWPLYEJ-LJQANCHMSA-N 0 0 400.500 4.220 20 5 HIBDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000437587765 862901028 /nfs/dbraw/zinc/90/10/28/862901028.db2.gz HNRNBFMGFRPQEW-UHFFFAOYSA-N 0 0 417.897 4.414 20 5 HIBDRN O=C(N[C@H]1CCC[C@@H]1CCO)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000428791117 857341961 /nfs/dbraw/zinc/34/19/61/857341961.db2.gz DKWHYICRZXIHAP-DYVFJYSZSA-N 0 0 404.850 4.321 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000428821367 857359901 /nfs/dbraw/zinc/35/99/01/857359901.db2.gz UTBZWAJMWGTXRO-SNVBAGLBSA-N 0 0 411.227 4.322 20 5 HIBDRN O=C(NCC1(CCO)CC1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000428827438 857363194 /nfs/dbraw/zinc/36/31/94/857363194.db2.gz NFGBPXUMIQGXRY-UHFFFAOYSA-N 0 0 406.891 4.292 20 5 HIBDRN CCOc1nc(C(F)(F)F)ccc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000428907936 857406217 /nfs/dbraw/zinc/40/62/17/857406217.db2.gz TZEDOQRTGVRUJE-UHFFFAOYSA-N 0 0 411.380 4.458 20 5 HIBDRN CC[C@H](NC(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000429070759 857493199 /nfs/dbraw/zinc/49/31/99/857493199.db2.gz DRHGNDRCSXRMAE-IERDGZPVSA-N 0 0 412.490 4.261 20 5 HIBDRN COc1cc(CN2Cc3ccccc3O[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429126492 857522788 /nfs/dbraw/zinc/52/27/88/857522788.db2.gz IUITWVHARJHDRF-CYBMUJFWSA-N 0 0 408.401 4.030 20 5 HIBDRN C[C@H](NC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000429251520 857575220 /nfs/dbraw/zinc/57/52/20/857575220.db2.gz BUBLCLXMVDUAKN-ZDUSSCGKSA-N 0 0 420.307 4.059 20 5 HIBDRN C[C@@H]1CC[C@H](N(C)C(=O)c2cc(C(=O)N(C)[C@@H]3CC[C@H](C)C3)cc([N+](=O)[O-])c2)C1 ZINC000429255130 857576818 /nfs/dbraw/zinc/57/68/18/857576818.db2.gz MCSOBIFKJKNCER-DJDHSFSDSA-N 0 0 401.507 4.116 20 5 HIBDRN CC(C)(NCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429265601 857581648 /nfs/dbraw/zinc/58/16/48/857581648.db2.gz GLKRNXNBHBDLSR-UHFFFAOYSA-N 0 0 419.485 4.121 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCOC[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OCCC ZINC000437612363 862929878 /nfs/dbraw/zinc/92/98/78/862929878.db2.gz GWYATHZQJZIASO-INIZCTEOSA-N 0 0 423.510 4.451 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000429385899 857635767 /nfs/dbraw/zinc/63/57/67/857635767.db2.gz YARRTMIMAFKUPY-MRXNPFEDSA-N 0 0 423.473 4.250 20 5 HIBDRN COc1ccc(C)cc1NC(=O)CNc1cc(Br)cc([N+](=O)[O-])c1C ZINC000429790607 857885626 /nfs/dbraw/zinc/88/56/26/857885626.db2.gz GUCBBFKNAVPSIE-UHFFFAOYSA-N 0 0 408.252 4.033 20 5 HIBDRN Cc1c(NCc2nc(CCc3ccccc3)no2)cc(Br)cc1[N+](=O)[O-] ZINC000429795771 857888262 /nfs/dbraw/zinc/88/82/62/857888262.db2.gz YWOHAPHSNQHISH-UHFFFAOYSA-N 0 0 417.263 4.446 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CNc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000429797457 857888531 /nfs/dbraw/zinc/88/85/31/857888531.db2.gz BJIKEZBFWWOLMI-UHFFFAOYSA-N 0 0 409.417 4.285 20 5 HIBDRN CC(C)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000429797139 857888677 /nfs/dbraw/zinc/88/86/77/857888677.db2.gz TUDODHKHUWGZJD-CYBMUJFWSA-N 0 0 404.385 4.100 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429820132 857896954 /nfs/dbraw/zinc/89/69/54/857896954.db2.gz AMQNWVKYDVLENV-CYBMUJFWSA-N 0 0 411.639 4.264 20 5 HIBDRN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)n1 ZINC000429838925 857904867 /nfs/dbraw/zinc/90/48/67/857904867.db2.gz QHECDZYIRFYNHI-UHFFFAOYSA-N 0 0 406.442 4.236 20 5 HIBDRN Cc1c(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])oc2ccc(F)cc12 ZINC000429844716 857908139 /nfs/dbraw/zinc/90/81/39/857908139.db2.gz ISEGUCDWRUDLCJ-UHFFFAOYSA-N 0 0 407.195 4.481 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429869143 857920407 /nfs/dbraw/zinc/92/04/07/857920407.db2.gz GTZHUJAWBCNMBK-KSSFIOAISA-N 0 0 419.275 4.255 20 5 HIBDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000437636445 862965563 /nfs/dbraw/zinc/96/55/63/862965563.db2.gz SNOJEBGZLDSLLI-MZPVMMEZSA-N 0 0 404.264 4.274 20 5 HIBDRN COc1ccc(CNC(=O)C2(Cc3ccccc3Br)CC2)cc1[N+](=O)[O-] ZINC000429888378 857929517 /nfs/dbraw/zinc/92/95/17/857929517.db2.gz NAFUDYXGHNKBFC-UHFFFAOYSA-N 0 0 419.275 4.005 20 5 HIBDRN O=C(NCCOc1ccc2ccccc2c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429928777 857952791 /nfs/dbraw/zinc/95/27/91/857952791.db2.gz FSHAMPHFYXUKJH-UHFFFAOYSA-N 0 0 415.243 4.319 20 5 HIBDRN COCCN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000429937681 857959288 /nfs/dbraw/zinc/95/92/88/857959288.db2.gz CZOWRZBYZYTTNR-VQFNDLOPSA-N 0 0 401.488 4.134 20 5 HIBDRN O=C(NCc1cccnc1OC1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429941915 857961214 /nfs/dbraw/zinc/96/12/14/857961214.db2.gz HTGDZQMCXJDXBN-UHFFFAOYSA-N 0 0 420.263 4.004 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000430088652 858025864 /nfs/dbraw/zinc/02/58/64/858025864.db2.gz LDPKHFMWFICOHU-UHFFFAOYSA-N 0 0 405.882 4.091 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000430130552 858045847 /nfs/dbraw/zinc/04/58/47/858045847.db2.gz WOGZFZAHAGNNTJ-ZQJQTPFGSA-N 0 0 410.470 4.144 20 5 HIBDRN COc1ccccc1-c1noc(C2CCN(Cc3ccc([N+](=O)[O-])cc3OC)CC2)n1 ZINC000430236200 858092122 /nfs/dbraw/zinc/09/21/22/858092122.db2.gz NJWCDCGYEQRGDF-UHFFFAOYSA-N 0 0 424.457 4.042 20 5 HIBDRN COc1cc(OCC(=O)Nc2cc(Cl)ccc2Br)ccc1[N+](=O)[O-] ZINC000430314440 858119481 /nfs/dbraw/zinc/11/94/81/858119481.db2.gz JUPKTSNKKZCTNT-UHFFFAOYSA-N 0 0 415.627 4.037 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CCc1ccccn1)Cc1cccnc1 ZINC000430328832 858123529 /nfs/dbraw/zinc/12/35/29/858123529.db2.gz OXRUVOQTLUNYBS-UHFFFAOYSA-N 0 0 406.486 4.417 20 5 HIBDRN Cc1cccc2c1CN(C(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)CC2 ZINC000430362863 858134066 /nfs/dbraw/zinc/13/40/66/858134066.db2.gz UOAMCIILIGLECM-UHFFFAOYSA-N 0 0 404.416 4.466 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(c4ccncc4)CC3)cc2[N+](=O)[O-])C1 ZINC000430414279 858150294 /nfs/dbraw/zinc/15/02/94/858150294.db2.gz KCPIQVDSSXTYST-HDICACEKSA-N 0 0 422.529 4.492 20 5 HIBDRN CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)c2)n1 ZINC000430452839 858172150 /nfs/dbraw/zinc/17/21/50/858172150.db2.gz WMKCGRQOKILBJX-UHFFFAOYSA-N 0 0 407.430 4.342 20 5 HIBDRN Cc1noc(-c2cc(Cl)ccc2OCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000430495573 858200210 /nfs/dbraw/zinc/20/02/10/858200210.db2.gz LEMYJPNAQZPMNT-UHFFFAOYSA-N 0 0 403.778 4.052 20 5 HIBDRN Cc1noc(CSc2ccc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000430556370 858217242 /nfs/dbraw/zinc/21/72/42/858217242.db2.gz YZRWGTCXFOTYJV-UHFFFAOYSA-N 0 0 412.471 4.244 20 5 HIBDRN CC[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Oc1ccccc1C ZINC000430602440 858233728 /nfs/dbraw/zinc/23/37/28/858233728.db2.gz LBJVBPAKAATXOB-AWEZNQCLSA-N 0 0 407.264 4.253 20 5 HIBDRN COCCCOc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000430645634 858246007 /nfs/dbraw/zinc/24/60/07/858246007.db2.gz BTWUAYZKWZOXER-UHFFFAOYSA-N 0 0 409.236 4.025 20 5 HIBDRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000430659959 858253337 /nfs/dbraw/zinc/25/33/37/858253337.db2.gz BUXMJPAFQSWLKJ-QRQCRPRQSA-N 0 0 411.477 4.390 20 5 HIBDRN Cc1c(C(=O)N2c3ccccc3S[C@H](C)[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000430664457 858257076 /nfs/dbraw/zinc/25/70/76/858257076.db2.gz OWBYSRFQZWZEIB-GXTWGEPZSA-N 0 0 409.471 4.013 20 5 HIBDRN COc1cc(C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000430668767 858259536 /nfs/dbraw/zinc/25/95/36/858259536.db2.gz YHYVZGPCDZINBW-MLCYQJTMSA-N 0 0 424.375 4.397 20 5 HIBDRN O=C(CO[C@H]1CCCc2ccccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430684802 858268333 /nfs/dbraw/zinc/26/83/33/858268333.db2.gz FMKQDUXXAVNAFP-QFIPXVFZSA-N 0 0 410.470 4.059 20 5 HIBDRN O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000430709420 858275169 /nfs/dbraw/zinc/27/51/69/858275169.db2.gz XNBRLDPCPHPTLW-UHFFFAOYSA-N 0 0 418.331 4.257 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000430816374 858314967 /nfs/dbraw/zinc/31/49/67/858314967.db2.gz ZURDRTREQIZNPQ-QGZVFWFLSA-N 0 0 415.449 4.425 20 5 HIBDRN CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000430930306 858373610 /nfs/dbraw/zinc/37/36/10/858373610.db2.gz SFMPSPCFXXACEL-CYBMUJFWSA-N 0 0 421.291 4.459 20 5 HIBDRN CN(c1ccccc1)C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000431028515 858409252 /nfs/dbraw/zinc/40/92/52/858409252.db2.gz RLUKKONCDXYTMV-UHFFFAOYSA-N 0 0 418.291 4.098 20 5 HIBDRN O=C(NCCCc1c[nH]c2ccccc12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431035058 858411069 /nfs/dbraw/zinc/41/10/69/858411069.db2.gz QDPFMROMBQTSQW-UHFFFAOYSA-N 0 0 402.248 4.201 20 5 HIBDRN O=C(NCC1(c2ccc(F)cc2)CCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431033779 858411711 /nfs/dbraw/zinc/41/17/11/858411711.db2.gz KJYNDMCQMNYTGP-UHFFFAOYSA-N 0 0 407.239 4.348 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NC[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000431083772 858439615 /nfs/dbraw/zinc/43/96/15/858439615.db2.gz MMSNQOQNBHIMMD-UONOGXRCSA-N 0 0 404.417 4.328 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000431087490 858442095 /nfs/dbraw/zinc/44/20/95/858442095.db2.gz BIQXZJFQAQVPFH-GFCCVEGCSA-N 0 0 417.314 4.467 20 5 HIBDRN CC(C)(NC(=O)Nc1nc(CN2CCCCC2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000431091902 858443464 /nfs/dbraw/zinc/44/34/64/858443464.db2.gz WKSHNYCGKNNFGO-UHFFFAOYSA-N 0 0 403.508 4.094 20 5 HIBDRN CN(CCCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000431169884 858484782 /nfs/dbraw/zinc/48/47/82/858484782.db2.gz AHPOSEJUDHFDIQ-UHFFFAOYSA-N 0 0 406.280 4.004 20 5 HIBDRN COc1cccc(SCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431178978 858489642 /nfs/dbraw/zinc/48/96/42/858489642.db2.gz KNEBIIPPGGZORP-UHFFFAOYSA-N 0 0 411.277 4.405 20 5 HIBDRN Cc1c(NC(=O)c2occc2Br)cc(Br)cc1[N+](=O)[O-] ZINC000431179702 858490270 /nfs/dbraw/zinc/49/02/70/858490270.db2.gz DPUPNOXIIIBFRV-UHFFFAOYSA-N 0 0 404.014 4.274 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)nn1-c1ccccc1 ZINC000431179728 858490367 /nfs/dbraw/zinc/49/03/67/858490367.db2.gz DWQVRQPBRHNJMC-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431182134 858492153 /nfs/dbraw/zinc/49/21/53/858492153.db2.gz MHBZJXNNNTXAFW-LLVKDONJSA-N 0 0 421.247 4.179 20 5 HIBDRN COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431185143 858494329 /nfs/dbraw/zinc/49/43/29/858494329.db2.gz XGJXTHKQGVWLLI-CABCVRRESA-N 0 0 405.248 4.417 20 5 HIBDRN CCc1c(C(=O)COc2c(Br)cccc2[N+](=O)[O-])[nH]c(C)c1C(C)=O ZINC000431216300 858510300 /nfs/dbraw/zinc/51/03/00/858510300.db2.gz BSJIYTSNHNDHTR-UHFFFAOYSA-N 0 0 409.236 4.021 20 5 HIBDRN O=[N+]([O-])c1cccc(Br)c1OCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000431220239 858513147 /nfs/dbraw/zinc/51/31/47/858513147.db2.gz HFGLDXSYYCQKEO-UHFFFAOYSA-N 0 0 412.146 4.265 20 5 HIBDRN Cc1c(NC(=O)c2cn(C)nc2-c2cccs2)cc(Br)cc1[N+](=O)[O-] ZINC000431232249 858520162 /nfs/dbraw/zinc/52/01/62/858520162.db2.gz BSMORLOQAPAUBV-UHFFFAOYSA-N 0 0 421.276 4.380 20 5 HIBDRN Cc1c(NC(=O)Cc2cnn(-c3ccccc3)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431233747 858520880 /nfs/dbraw/zinc/52/08/80/858520880.db2.gz FMJTVQWRZKBXPY-UHFFFAOYSA-N 0 0 415.247 4.033 20 5 HIBDRN CC1(C)Cc2ccc(Cl)c(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)c2O1 ZINC000431243464 858527128 /nfs/dbraw/zinc/52/71/28/858527128.db2.gz DARWTDDRFMWZSE-UHFFFAOYSA-N 0 0 412.833 4.400 20 5 HIBDRN Cc1c(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)cccc1[N+](=O)[O-] ZINC000431248210 858529691 /nfs/dbraw/zinc/52/96/91/858529691.db2.gz OICRQDXTTRQZDZ-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1c(NC(=O)CCc2nnc(C3CCCC3)o2)cc(Br)cc1[N+](=O)[O-] ZINC000431247893 858530083 /nfs/dbraw/zinc/53/00/83/858530083.db2.gz GNQOICISRCYYJH-UHFFFAOYSA-N 0 0 423.267 4.278 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000431255684 858534329 /nfs/dbraw/zinc/53/43/29/858534329.db2.gz MZEFEVFYNLFZSV-QYWGDWMGSA-N 0 0 422.547 4.142 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)n2cnc3ccccc32)cc(Br)cc1[N+](=O)[O-] ZINC000431264838 858538114 /nfs/dbraw/zinc/53/81/14/858538114.db2.gz UGGBRJOEBONWHQ-LLVKDONJSA-N 0 0 403.236 4.215 20 5 HIBDRN CCO[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C12CCCCC2 ZINC000431328429 858567746 /nfs/dbraw/zinc/56/77/46/858567746.db2.gz WAUJZRWZDOUURN-HOTGVXAUSA-N 0 0 411.296 4.215 20 5 HIBDRN O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431339965 858571786 /nfs/dbraw/zinc/57/17/86/858571786.db2.gz BHXOXBYRHJGZRB-UHFFFAOYSA-N 0 0 422.626 4.048 20 5 HIBDRN CC1CCN(C(=O)c2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000431384508 858589005 /nfs/dbraw/zinc/58/90/05/858589005.db2.gz IZJAQUWNKVVFAG-UHFFFAOYSA-N 0 0 409.486 4.383 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCn2c(cc3c2cccc3Cl)C1 ZINC000431411727 858602458 /nfs/dbraw/zinc/60/24/58/858602458.db2.gz BSKMOUCQRAKVHK-UHFFFAOYSA-N 0 0 407.655 4.381 20 5 HIBDRN CC(C)(NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431426319 858609069 /nfs/dbraw/zinc/60/90/69/858609069.db2.gz GTPFWBIDQLVCCB-UHFFFAOYSA-N 0 0 408.458 4.430 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1OC ZINC000431459927 858627663 /nfs/dbraw/zinc/62/76/63/858627663.db2.gz PSLWQYHHKHLPEH-LLVKDONJSA-N 0 0 423.263 4.174 20 5 HIBDRN O=C(Nc1ccc(OCC(F)F)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431479768 858637258 /nfs/dbraw/zinc/63/72/58/858637258.db2.gz ZUJZSGABELXWOK-UHFFFAOYSA-N 0 0 401.163 4.254 20 5 HIBDRN COc1ccc(C2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000431503031 858647276 /nfs/dbraw/zinc/64/72/76/858647276.db2.gz UQBVWTAKIATZQQ-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN CC1(C)CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC000431609924 858688876 /nfs/dbraw/zinc/68/88/76/858688876.db2.gz OHDKZTRVJOYXSL-OAHLLOKOSA-N 0 0 416.286 4.068 20 5 HIBDRN O=C(c1ccccc1)C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000431641130 858706875 /nfs/dbraw/zinc/70/68/75/858706875.db2.gz VDXOXSZEPSVWSU-UHFFFAOYSA-N 0 0 417.259 4.092 20 5 HIBDRN CC(C)(NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431731553 858770284 /nfs/dbraw/zinc/77/02/84/858770284.db2.gz ZDRMQNPHUDQTAD-INIZCTEOSA-N 0 0 402.882 4.061 20 5 HIBDRN CC(C)(NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000431771520 858804405 /nfs/dbraw/zinc/80/44/05/858804405.db2.gz INAYAMTZOMJACV-FQEVSTJZSA-N 0 0 411.458 4.052 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(COc2ccccc2)CC1 ZINC000431776400 858806785 /nfs/dbraw/zinc/80/67/85/858806785.db2.gz POIXMYIJITZOBZ-UHFFFAOYSA-N 0 0 419.275 4.289 20 5 HIBDRN CC(C)(NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000431783404 858810166 /nfs/dbraw/zinc/81/01/66/858810166.db2.gz HXUDYBLAJCMCMI-RTBURBONSA-N 0 0 401.438 4.189 20 5 HIBDRN COc1ccc(Br)c(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000431795807 858816082 /nfs/dbraw/zinc/81/60/82/858816082.db2.gz HYNBLUSHCHVZDR-UHFFFAOYSA-N 0 0 422.279 4.100 20 5 HIBDRN C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431837454 858834397 /nfs/dbraw/zinc/83/43/97/858834397.db2.gz LJSYZTGPVCYERV-JTQLQIEISA-N 0 0 413.821 4.356 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000431868456 858847335 /nfs/dbraw/zinc/84/73/35/858847335.db2.gz BTRMIIDUPKTRKR-CQSZACIVSA-N 0 0 401.463 4.216 20 5 HIBDRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000431894477 858860150 /nfs/dbraw/zinc/86/01/50/858860150.db2.gz QLLFANQGADUNDX-UHFFFAOYSA-N 0 0 415.203 4.192 20 5 HIBDRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccccc1[N+](=O)[O-] ZINC000431921659 858871287 /nfs/dbraw/zinc/87/12/87/858871287.db2.gz JUIFBBHIUOZKDM-UHFFFAOYSA-N 0 0 415.203 4.192 20 5 HIBDRN CN(C)c1cccc([C@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431938442 858878510 /nfs/dbraw/zinc/87/85/10/858878510.db2.gz MTCAMUICLAWTFY-GOSISDBHSA-N 0 0 418.291 4.401 20 5 HIBDRN COc1cccc(C2(F)CCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000467541032 881362717 /nfs/dbraw/zinc/36/27/17/881362717.db2.gz DEVGPDZEUYINRH-UHFFFAOYSA-N 0 0 404.438 4.081 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CC3(CCC3)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000432130862 859007362 /nfs/dbraw/zinc/00/73/62/859007362.db2.gz UAJOOUZKLWFKBY-OAQYLSRUSA-N 0 0 402.454 4.291 20 5 HIBDRN Cc1nn(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c2ccc([N+](=O)[O-])cc12 ZINC000432248451 859067114 /nfs/dbraw/zinc/06/71/14/859067114.db2.gz WKVDLDXGICNMPB-JTQLQIEISA-N 0 0 407.257 4.437 20 5 HIBDRN CC(C)[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2[nH]1 ZINC000467555618 881377903 /nfs/dbraw/zinc/37/79/03/881377903.db2.gz UBFWAXMOBSMJDC-QGZVFWFLSA-N 0 0 401.854 4.321 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000432288286 859086259 /nfs/dbraw/zinc/08/62/59/859086259.db2.gz ZLHWVUMCRXUZNN-LBPRGKRZSA-N 0 0 401.271 4.080 20 5 HIBDRN CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000432289714 859087534 /nfs/dbraw/zinc/08/75/34/859087534.db2.gz ROVRKLYRWQWWLH-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(CNc3c(Cl)cccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000432312916 859098607 /nfs/dbraw/zinc/09/86/07/859098607.db2.gz PZEUDYWORVMDEK-ZIAGYGMSSA-N 0 0 403.866 4.110 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1)c1cc2ccccc2o1 ZINC000432315875 859100551 /nfs/dbraw/zinc/10/05/51/859100551.db2.gz XFVQLFXSWSZGAW-MRXNPFEDSA-N 0 0 416.437 4.288 20 5 HIBDRN CC(C)(c1ccc(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1)C(F)(F)F ZINC000432325231 859103353 /nfs/dbraw/zinc/10/33/53/859103353.db2.gz ZXXMLNWOBIHRRZ-UHFFFAOYSA-N 0 0 407.392 4.436 20 5 HIBDRN CC(C)(C)c1nc(CN2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)cs1 ZINC000432333370 859106757 /nfs/dbraw/zinc/10/67/57/859106757.db2.gz GGFQZQQGKRXTIQ-UHFFFAOYSA-N 0 0 411.531 4.219 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3c(C)cccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000432406588 859148849 /nfs/dbraw/zinc/14/88/49/859148849.db2.gz HVQBTJGXRRDKHA-UHFFFAOYSA-N 0 0 418.881 4.309 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCc1ccccn1)Cc1cccnc1 ZINC000432429008 859161645 /nfs/dbraw/zinc/16/16/45/859161645.db2.gz CISQTGMNNWMTRY-UHFFFAOYSA-N 0 0 405.458 4.278 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CC[S@@](=O)CC[C@@H]3C)cc2[N+](=O)[O-])cc1 ZINC000432436339 859163814 /nfs/dbraw/zinc/16/38/14/859163814.db2.gz LIURCQQLOJMOBH-HBIPHATFSA-N 0 0 418.540 4.038 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccsc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000432578034 859236236 /nfs/dbraw/zinc/23/62/36/859236236.db2.gz YLHYIGVDJXQPSL-UHFFFAOYSA-N 0 0 410.883 4.063 20 5 HIBDRN O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000467583276 881398475 /nfs/dbraw/zinc/39/84/75/881398475.db2.gz HPOHUWKHPHQFTI-SFHVURJKSA-N 0 0 423.860 4.032 20 5 HIBDRN COc1cc(C(=O)N2CC3(CCC3)C[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000432608418 859254227 /nfs/dbraw/zinc/25/42/27/859254227.db2.gz CNXUMXBHYLGNTQ-CYBMUJFWSA-N 0 0 417.487 4.044 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432635011 859264672 /nfs/dbraw/zinc/26/46/72/859264672.db2.gz VJKZTBCUTOXMPF-HNNXBMFYSA-N 0 0 410.455 4.175 20 5 HIBDRN CC1(C)Cc2nc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)sc2C(=O)C1 ZINC000432644641 859269543 /nfs/dbraw/zinc/26/95/43/859269543.db2.gz NBFZSEYNUWNBID-UHFFFAOYSA-N 0 0 424.276 4.221 20 5 HIBDRN CCOC(=O)c1ccccc1N(CC)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432662495 859279055 /nfs/dbraw/zinc/27/90/55/859279055.db2.gz YNUPJNOADILPKO-UHFFFAOYSA-N 0 0 421.247 4.201 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(Cl)c1 ZINC000432677505 859286992 /nfs/dbraw/zinc/28/69/92/859286992.db2.gz DNQBXIVHIJENFR-UHFFFAOYSA-N 0 0 412.627 4.221 20 5 HIBDRN CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432677912 859287641 /nfs/dbraw/zinc/28/76/41/859287641.db2.gz DXIDEXYXCXEXSY-UHFFFAOYSA-N 0 0 412.627 4.221 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000432718200 859315818 /nfs/dbraw/zinc/31/58/18/859315818.db2.gz OKJVUSWMAPGXTM-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN Cc1cc(F)cc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 ZINC000432730033 859323929 /nfs/dbraw/zinc/32/39/29/859323929.db2.gz JZIZUFPRCCMCRN-KRWDZBQOSA-N 0 0 403.410 4.247 20 5 HIBDRN Cc1cc(F)cc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 ZINC000432730037 859324002 /nfs/dbraw/zinc/32/40/02/859324002.db2.gz JZIZUFPRCCMCRN-QGZVFWFLSA-N 0 0 403.410 4.247 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2)o1 ZINC000432756203 859336586 /nfs/dbraw/zinc/33/65/86/859336586.db2.gz XKGSRADFRIEXMW-UHFFFAOYSA-N 0 0 417.219 4.222 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCSc2ccncc21 ZINC000432993253 859468083 /nfs/dbraw/zinc/46/80/83/859468083.db2.gz LEGFVOPCGCDDLY-UHFFFAOYSA-N 0 0 406.467 4.354 20 5 HIBDRN O=C(CN[C@@H](c1ccccc1)C(F)F)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000433069306 859508472 /nfs/dbraw/zinc/50/84/72/859508472.db2.gz UYBNQBGWKXWCMI-KRWDZBQOSA-N 0 0 418.425 4.253 20 5 HIBDRN C[C@@H](c1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000433139993 859536667 /nfs/dbraw/zinc/53/66/67/859536667.db2.gz DLHLWJUAJQBRLG-INIZCTEOSA-N 0 0 412.490 4.045 20 5 HIBDRN COc1cc(CN[C@H](c2ccccc2)C2(CO)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000433307246 859629395 /nfs/dbraw/zinc/62/93/95/859629395.db2.gz UICFYXJPPJAVNI-LJQANCHMSA-N 0 0 422.428 4.198 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1[N+](=O)[O-] ZINC000433421049 859691271 /nfs/dbraw/zinc/69/12/71/859691271.db2.gz NJPHFKAPSDSPIB-GFCCVEGCSA-N 0 0 415.400 4.465 20 5 HIBDRN CC(C)[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000433469899 859718409 /nfs/dbraw/zinc/71/84/09/859718409.db2.gz MNSQZDSOQIHLJR-HXUWFJFHSA-N 0 0 417.462 4.300 20 5 HIBDRN CCOC(=O)c1cc(NCc2c(C)nn(Cc3ccccc3)c2C)ccc1[N+](=O)[O-] ZINC000433719875 859852696 /nfs/dbraw/zinc/85/26/96/859852696.db2.gz RFDMUQHPOUCWLC-UHFFFAOYSA-N 0 0 408.458 4.245 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000433736782 859865635 /nfs/dbraw/zinc/86/56/35/859865635.db2.gz UMPMAOFFFLQJSC-UHFFFAOYSA-N 0 0 413.478 4.487 20 5 HIBDRN CNC(=O)c1cc(Oc2cccc(Oc3ncc([N+](=O)[O-])cc3Cl)c2C)ccn1 ZINC000433774196 859887532 /nfs/dbraw/zinc/88/75/32/859887532.db2.gz KLWXMJUHFZSNRH-UHFFFAOYSA-N 0 0 414.805 4.291 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000433871140 859944118 /nfs/dbraw/zinc/94/41/18/859944118.db2.gz AGOANZYHCSRYLK-MRXNPFEDSA-N 0 0 402.501 4.352 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000433930561 859979973 /nfs/dbraw/zinc/97/99/73/859979973.db2.gz KPVYHKZRXONJTG-LLVKDONJSA-N 0 0 413.261 4.042 20 5 HIBDRN CC(C)Oc1ccc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000433937877 859985600 /nfs/dbraw/zinc/98/56/00/859985600.db2.gz ZWQGFCBGRSLNOF-UHFFFAOYSA-N 0 0 414.384 4.177 20 5 HIBDRN Cn1c(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000433954153 859999321 /nfs/dbraw/zinc/99/93/21/859999321.db2.gz QDAYPBHUPJGKCK-UHFFFAOYSA-N 0 0 408.201 4.075 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000433998528 860028042 /nfs/dbraw/zinc/02/80/42/860028042.db2.gz XFGUWCCLYFKJKK-CYBMUJFWSA-N 0 0 407.268 4.181 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC[C@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000433998529 860028313 /nfs/dbraw/zinc/02/83/13/860028313.db2.gz XFGUWCCLYFKJKK-ZDUSSCGKSA-N 0 0 407.268 4.181 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000434004938 860033875 /nfs/dbraw/zinc/03/38/75/860033875.db2.gz DMKWCTKAKHBCLR-UHFFFAOYSA-N 0 0 407.264 4.093 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCC(OCC3CCCC3)CC2)cc1SC ZINC000434148747 860145423 /nfs/dbraw/zinc/14/54/23/860145423.db2.gz UEJXKFGANZDACI-UHFFFAOYSA-N 0 0 408.520 4.137 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)c1[N+](=O)[O-] ZINC000434184811 860175247 /nfs/dbraw/zinc/17/52/47/860175247.db2.gz VKXGDOXWEUIXCX-KRWDZBQOSA-N 0 0 406.442 4.362 20 5 HIBDRN COc1ccc(NC(=O)N(C)Cc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000434211231 860198004 /nfs/dbraw/zinc/19/80/04/860198004.db2.gz HDOPVHRVSMZVCM-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434227269 860212319 /nfs/dbraw/zinc/21/23/19/860212319.db2.gz IBBVHJPLLGPYTP-UHFFFAOYSA-N 0 0 413.478 4.065 20 5 HIBDRN CCOc1cc(NC(=O)N2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OCC ZINC000434231238 860215635 /nfs/dbraw/zinc/21/56/35/860215635.db2.gz LXPASQCLJHVRNM-LLVKDONJSA-N 0 0 405.373 4.198 20 5 HIBDRN O=C(C[C@@H]1CCCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000434248638 860228594 /nfs/dbraw/zinc/22/85/94/860228594.db2.gz JHJOQCOVTQZIKL-INIZCTEOSA-N 0 0 400.431 4.001 20 5 HIBDRN CCCc1n[nH]c(C(=O)N[C@H](C)c2cccc(OCc3ccccc3)c2)c1[N+](=O)[O-] ZINC000434321353 860281989 /nfs/dbraw/zinc/28/19/89/860281989.db2.gz MUFOMEJCEHIGOE-OAHLLOKOSA-N 0 0 408.458 4.340 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCSC(C)(C)C3)cc2[N+](=O)[O-])n1 ZINC000434367770 860315243 /nfs/dbraw/zinc/31/52/43/860315243.db2.gz CUOCIYGAAKQFFK-UHFFFAOYSA-N 0 0 409.558 4.479 20 5 HIBDRN Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)no1 ZINC000467728788 881528435 /nfs/dbraw/zinc/52/84/35/881528435.db2.gz WFWVMQQIAZZQPL-UHFFFAOYSA-N 0 0 404.835 4.021 20 5 HIBDRN CCCCc1c(C)nc2nc(SCc3nc4cc([N+](=O)[O-])ccc4o3)nn2c1C ZINC000434794299 860496811 /nfs/dbraw/zinc/49/68/11/860496811.db2.gz DNCPIKRFIGXEJM-UHFFFAOYSA-N 0 0 412.475 4.425 20 5 HIBDRN O=c1cc(CNc2cc([N+](=O)[O-])ccc2Sc2cccs2)nc2sccn21 ZINC000434878358 860530831 /nfs/dbraw/zinc/53/08/31/860530831.db2.gz DLOZXBDVIIEQCJ-UHFFFAOYSA-N 0 0 416.509 4.489 20 5 HIBDRN CCCOc1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c1)C2 ZINC000434960044 860575432 /nfs/dbraw/zinc/57/54/32/860575432.db2.gz PQYBJCZNVAQSDE-UHFFFAOYSA-N 0 0 409.486 4.182 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000434973311 860582144 /nfs/dbraw/zinc/58/21/44/860582144.db2.gz MFFFHOXCIKJRFO-GFCCVEGCSA-N 0 0 414.409 4.159 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000467751390 881559692 /nfs/dbraw/zinc/55/96/92/881559692.db2.gz ASXRVNOVLRUJAM-QTLGSODGSA-N 0 0 404.510 4.083 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(Sc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000435138207 860660265 /nfs/dbraw/zinc/66/02/65/860660265.db2.gz QIAZUVLFUKSEEE-UHFFFAOYSA-N 0 0 401.469 4.250 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435296756 860725086 /nfs/dbraw/zinc/72/50/86/860725086.db2.gz HNAJSRYMUUZROX-FQEVSTJZSA-N 0 0 419.485 4.107 20 5 HIBDRN COCCc1cc(O)ccc1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435322821 860735013 /nfs/dbraw/zinc/73/50/13/860735013.db2.gz HCEJJBZYMSDSFJ-UHFFFAOYSA-N 0 0 424.251 4.204 20 5 HIBDRN COCc1cccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000435323897 860735577 /nfs/dbraw/zinc/73/55/77/860735577.db2.gz QIQUUNITBGESRK-UHFFFAOYSA-N 0 0 408.252 4.134 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(F)c1 ZINC000435323920 860735769 /nfs/dbraw/zinc/73/57/69/860735769.db2.gz QPNWVERDUILIGQ-UHFFFAOYSA-N 0 0 412.215 4.135 20 5 HIBDRN Cc1c(NC(=O)NCC2(CCO)CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435324964 860736400 /nfs/dbraw/zinc/73/64/00/860736400.db2.gz YAKVUBSJIRZVPH-UHFFFAOYSA-N 0 0 414.300 4.120 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@@H](OCC3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435327800 860739077 /nfs/dbraw/zinc/73/90/77/860739077.db2.gz IVKXWFPTKFQOJN-CQSZACIVSA-N 0 0 412.284 4.089 20 5 HIBDRN Cc1c(NC(=O)NCc2cc3ccccc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000435328985 860740586 /nfs/dbraw/zinc/74/05/86/860740586.db2.gz NUHCFPVFPYNBAL-UHFFFAOYSA-N 0 0 403.236 4.469 20 5 HIBDRN Cc1c(NC(=O)NCCOc2ccccc2F)cc(Br)cc1[N+](=O)[O-] ZINC000435330415 860741698 /nfs/dbraw/zinc/74/16/98/860741698.db2.gz SNQZCSAZXUHTDW-UHFFFAOYSA-N 0 0 412.215 4.005 20 5 HIBDRN COc1ccc(F)cc1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435331178 860742205 /nfs/dbraw/zinc/74/22/05/860742205.db2.gz YYYUICKLFRUSCZ-UHFFFAOYSA-N 0 0 412.215 4.135 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000435330722 860742230 /nfs/dbraw/zinc/74/22/30/860742230.db2.gz VRGKROBCIDXOPI-UHFFFAOYSA-N 0 0 407.224 4.268 20 5 HIBDRN Cc1c(NC(=O)N[C@H](C)Cc2cccc(O)c2)cc(Br)cc1[N+](=O)[O-] ZINC000435330923 860742361 /nfs/dbraw/zinc/74/23/61/860742361.db2.gz XHPUNPKDVGWWEU-SNVBAGLBSA-N 0 0 408.252 4.124 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCO[C@H](CC(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435332749 860743978 /nfs/dbraw/zinc/74/39/78/860743978.db2.gz MKNPXDOABADUBD-UONOGXRCSA-N 0 0 414.300 4.381 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435333446 860744193 /nfs/dbraw/zinc/74/41/93/860744193.db2.gz PRMFYMZQMKTJTB-SWLSCSKDSA-N 0 0 414.300 4.381 20 5 HIBDRN O=C(CSc1nncs1)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435447850 860801954 /nfs/dbraw/zinc/80/19/54/860801954.db2.gz ISVRMHTZYLGUAP-UHFFFAOYSA-N 0 0 410.527 4.390 20 5 HIBDRN COc1cccc(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000435488980 860818792 /nfs/dbraw/zinc/81/87/92/860818792.db2.gz HPHJEEPUWCECSR-LBPRGKRZSA-N 0 0 407.264 4.117 20 5 HIBDRN CC(C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435489529 860818807 /nfs/dbraw/zinc/81/88/07/860818807.db2.gz KVVQAXPNLQMPSF-UHFFFAOYSA-N 0 0 407.517 4.298 20 5 HIBDRN COc1cccc(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)c1[N+](=O)[O-] ZINC000435544135 860858692 /nfs/dbraw/zinc/85/86/92/860858692.db2.gz YZYMTJHMSODIGI-UHFFFAOYSA-N 0 0 419.437 4.094 20 5 HIBDRN Cc1c(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cnn1-c1ccccc1F ZINC000435554940 860873667 /nfs/dbraw/zinc/87/36/67/860873667.db2.gz VHLNZFFVWMRQTC-UHFFFAOYSA-N 0 0 409.421 4.425 20 5 HIBDRN Cc1c(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000435558082 860877180 /nfs/dbraw/zinc/87/71/80/860877180.db2.gz CPTSPIHUOFZOCY-UHFFFAOYSA-N 0 0 408.462 4.021 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)c1[N+](=O)[O-] ZINC000435564425 860885806 /nfs/dbraw/zinc/88/58/06/860885806.db2.gz CLMFYPDTRPKUPV-UHFFFAOYSA-N 0 0 411.458 4.227 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c1[N+](=O)[O-] ZINC000435566426 860888489 /nfs/dbraw/zinc/88/84/89/860888489.db2.gz NVIHTPJPRHBVKZ-UHFFFAOYSA-N 0 0 416.327 4.273 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1[N+](=O)[O-] ZINC000435659691 860938577 /nfs/dbraw/zinc/93/85/77/860938577.db2.gz MWHBQIKGYDVFLF-UHFFFAOYSA-N 0 0 409.364 4.475 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1CCOC[C@@H]1C ZINC000435669197 860948207 /nfs/dbraw/zinc/94/82/07/860948207.db2.gz JETCCFBGLLSQHW-WFASDCNBSA-N 0 0 418.471 4.111 20 5 HIBDRN O=C(Nc1ccc(N2CCCC2=O)cn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000435689185 860969657 /nfs/dbraw/zinc/96/96/57/860969657.db2.gz XKKNMKIMMROJIH-UHFFFAOYSA-N 0 0 418.409 4.161 20 5 HIBDRN COc1cc(N2CCO[C@@H](c3cccc(Br)c3)C2)c([N+](=O)[O-])cc1F ZINC000467780614 881602689 /nfs/dbraw/zinc/60/26/89/881602689.db2.gz SGWGOUBVULTJBE-QGZVFWFLSA-N 0 0 411.227 4.083 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCCCc3ccccn3)cc2[N+](=O)[O-])n1 ZINC000435719084 861003598 /nfs/dbraw/zinc/00/35/98/861003598.db2.gz ILEZOABCULXWAO-UHFFFAOYSA-N 0 0 414.512 4.269 20 5 HIBDRN C[C@@H](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000467783639 881605238 /nfs/dbraw/zinc/60/52/38/881605238.db2.gz FYQNPEKQGLAKCL-ZDUSSCGKSA-N 0 0 416.421 4.227 20 5 HIBDRN COc1cccc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)c1[N+](=O)[O-] ZINC000435804977 861072792 /nfs/dbraw/zinc/07/27/92/861072792.db2.gz AAQACWCVRNZKOE-UHFFFAOYSA-N 0 0 402.457 4.096 20 5 HIBDRN O=C(NCCSCc1ccccc1F)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435822580 861086978 /nfs/dbraw/zinc/08/69/78/861086978.db2.gz RHIPVHGLRHOEON-UHFFFAOYSA-N 0 0 406.482 4.484 20 5 HIBDRN COc1cccc(C(NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2cccc(OC)c2)c1 ZINC000435827483 861091513 /nfs/dbraw/zinc/09/15/13/861091513.db2.gz RPXUZARLGFUACK-UHFFFAOYSA-N 0 0 422.437 4.140 20 5 HIBDRN C[C@@H]1[C@@H](C)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435838415 861099478 /nfs/dbraw/zinc/09/94/78/861099478.db2.gz YKNDSCSVQVUULF-NWDGAFQWSA-N 0 0 405.501 4.003 20 5 HIBDRN CC(C)[C@@H](C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435846570 861107575 /nfs/dbraw/zinc/10/75/75/861107575.db2.gz PJRJPYDPLDQTLW-LBPRGKRZSA-N 0 0 407.517 4.154 20 5 HIBDRN Cc1c(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)nnn1Cc1ccc(F)cc1 ZINC000435871801 861131803 /nfs/dbraw/zinc/13/18/03/861131803.db2.gz VBJPJJUDOHSQDF-UHFFFAOYSA-N 0 0 423.448 4.272 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)c1ccc(C(F)(F)F)cc1Cl ZINC000435904566 861163567 /nfs/dbraw/zinc/16/35/67/861163567.db2.gz XIBBZNMQEYAQQI-UHFFFAOYSA-N 0 0 408.785 4.401 20 5 HIBDRN COC(=O)C(C)(C)c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437746775 863071428 /nfs/dbraw/zinc/07/14/28/863071428.db2.gz CEKYWIQOPPDFIJ-UHFFFAOYSA-N 0 0 411.458 4.242 20 5 HIBDRN CCc1ccc(CC)c(NC(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])c1 ZINC000437760077 863080937 /nfs/dbraw/zinc/08/09/37/863080937.db2.gz FTKILUPAOSEEHJ-UHFFFAOYSA-N 0 0 402.447 4.006 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437819805 863158962 /nfs/dbraw/zinc/15/89/62/863158962.db2.gz KRCFERHMWJFBIE-XOBRGWDASA-N 0 0 418.877 4.303 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000437934088 863310956 /nfs/dbraw/zinc/31/09/56/863310956.db2.gz NBAYVHSYXPUHAX-INIZCTEOSA-N 0 0 406.426 4.074 20 5 HIBDRN COc1cc(F)c([C@@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC ZINC000437976829 863345757 /nfs/dbraw/zinc/34/57/57/863345757.db2.gz PZOMSFFESPPNRW-CYBMUJFWSA-N 0 0 417.437 4.186 20 5 HIBDRN CO[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000437993102 863355929 /nfs/dbraw/zinc/35/59/29/863355929.db2.gz CQPWFKBPLJSLJM-IBGZPJMESA-N 0 0 403.866 4.310 20 5 HIBDRN CC[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc2c(c1)OCCO2 ZINC000438001042 863362206 /nfs/dbraw/zinc/36/22/06/863362206.db2.gz MTNGIADOOFOALI-SFHVURJKSA-N 0 0 411.458 4.191 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438003068 863364246 /nfs/dbraw/zinc/36/42/46/863364246.db2.gz QOZJTSNVJQHMCQ-LEWJYISDSA-N 0 0 413.449 4.328 20 5 HIBDRN O=C(N[C@H]1CCOc2c(Cl)cccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438011367 863370205 /nfs/dbraw/zinc/37/02/05/863370205.db2.gz ZZDNWSVNPPDXQF-KRWDZBQOSA-N 0 0 401.850 4.446 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)c(C)c1[N+](=O)[O-] ZINC000467833882 881668913 /nfs/dbraw/zinc/66/89/13/881668913.db2.gz DOUFYLJDDYGBTJ-HDJSIYSDSA-N 0 0 411.289 4.167 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)cc1SC ZINC000438142333 863562273 /nfs/dbraw/zinc/56/22/73/863562273.db2.gz GSXPLTPTBSWIDH-AVCJSFLBSA-N 0 0 402.472 4.008 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCc2c(F)ccc(F)c2C1 ZINC000438167565 863589964 /nfs/dbraw/zinc/58/99/64/863589964.db2.gz RLJCUGWXOGLPHT-UHFFFAOYSA-N 0 0 401.394 4.195 20 5 HIBDRN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000438206449 863638800 /nfs/dbraw/zinc/63/88/00/863638800.db2.gz JGTKADOVWDCAIQ-UHFFFAOYSA-N 0 0 419.865 4.124 20 5 HIBDRN CCCn1ccc2ccc(NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc21 ZINC000438281588 863752933 /nfs/dbraw/zinc/75/29/33/863752933.db2.gz KCMNNZKYGGGNHC-UHFFFAOYSA-N 0 0 407.474 4.314 20 5 HIBDRN CCOc1cc(C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)c([N+](=O)[O-])cc1OC ZINC000467852798 881701381 /nfs/dbraw/zinc/70/13/81/881701381.db2.gz GRYVDZUHCVXRPB-UHFFFAOYSA-N 0 0 422.840 4.471 20 5 HIBDRN COc1ccc(Oc2ccc(NC(=O)NCc3ccc(OC)c([N+](=O)[O-])c3)cn2)cc1 ZINC000438420176 863857765 /nfs/dbraw/zinc/85/77/65/863857765.db2.gz LCZQKHXCARPXLF-UHFFFAOYSA-N 0 0 424.413 4.121 20 5 HIBDRN O=C(Nc1c(F)cccc1Br)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000438451042 863876317 /nfs/dbraw/zinc/87/63/17/863876317.db2.gz XHDVIDRAVSFDHC-UHFFFAOYSA-N 0 0 408.227 4.349 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1SC ZINC000438466716 863888568 /nfs/dbraw/zinc/88/85/68/863888568.db2.gz NYPVJEKUCPDGRV-WDEREUQCSA-N 0 0 406.426 4.424 20 5 HIBDRN CC(C)OC(=O)[C@H](C)CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000438486086 863902533 /nfs/dbraw/zinc/90/25/33/863902533.db2.gz GHPHWZMIZZUZIJ-CQSZACIVSA-N 0 0 401.419 4.096 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H](C(F)(F)F)C1 ZINC000467857535 881708752 /nfs/dbraw/zinc/70/87/52/881708752.db2.gz ZHBYRVIYJPBYJZ-JTQLQIEISA-N 0 0 410.342 4.374 20 5 HIBDRN Cc1cc(C(=O)[C@H](C)N2CCc3ccc([N+](=O)[O-])cc3C2)c(C)n1Cc1ccco1 ZINC000438527168 863951942 /nfs/dbraw/zinc/95/19/42/863951942.db2.gz BUJPNGGFXDDHTF-KRWDZBQOSA-N 0 0 407.470 4.284 20 5 HIBDRN O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(Br)cc1Cl ZINC000438530093 863955158 /nfs/dbraw/zinc/95/51/58/863955158.db2.gz REHVPKJVMNBWNV-UHFFFAOYSA-N 0 0 424.682 4.008 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCO[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000438558660 863991369 /nfs/dbraw/zinc/99/13/69/863991369.db2.gz SAKGYVKYRNTHGH-FGZHOGPDSA-N 0 0 421.453 4.250 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1c(F)cc(Br)cc1F ZINC000438628328 864057601 /nfs/dbraw/zinc/05/76/01/864057601.db2.gz OQQNNUFUZAIKJL-UHFFFAOYSA-N 0 0 400.179 4.299 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438632587 864062783 /nfs/dbraw/zinc/06/27/83/864062783.db2.gz DOTOJDUFLVLRLI-MRXNPFEDSA-N 0 0 405.248 4.262 20 5 HIBDRN Cc1cc(C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)cc([N+](=O)[O-])c1 ZINC000438635350 864066434 /nfs/dbraw/zinc/06/64/34/864066434.db2.gz LESJCHJQXUJZCK-MRXNPFEDSA-N 0 0 405.248 4.262 20 5 HIBDRN Cc1ccc(C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000438640961 864075884 /nfs/dbraw/zinc/07/58/84/864075884.db2.gz JWRQSYNOKOEJKK-HNNXBMFYSA-N 0 0 405.248 4.262 20 5 HIBDRN CC(C)COc1ccccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000438657711 864101714 /nfs/dbraw/zinc/10/17/14/864101714.db2.gz SWGTTYZTDHXIBX-UHFFFAOYSA-N 0 0 413.474 4.005 20 5 HIBDRN Cc1c(NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000438659825 864108814 /nfs/dbraw/zinc/10/88/14/864108814.db2.gz FHCRCCJZEHHNJG-UHFFFAOYSA-N 0 0 417.849 4.455 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCn4cccc4[C@@H]3c3ccccc3)o2)cc1 ZINC000438704659 864181490 /nfs/dbraw/zinc/18/14/90/864181490.db2.gz RPBOANCJUZHZES-NRFANRHFSA-N 0 0 401.426 4.052 20 5 HIBDRN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Br)c1 ZINC000438720348 864203094 /nfs/dbraw/zinc/20/30/94/864203094.db2.gz GPQLNVXHMCCBSD-UHFFFAOYSA-N 0 0 403.236 4.434 20 5 HIBDRN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)C1 ZINC000438723995 864208121 /nfs/dbraw/zinc/20/81/21/864208121.db2.gz PONRCNMSXSSRFF-MGPUTAFESA-N 0 0 411.458 4.267 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000438752013 864243338 /nfs/dbraw/zinc/24/33/38/864243338.db2.gz JWGQSEYETVHLIK-UHFFFAOYSA-N 0 0 411.458 4.330 20 5 HIBDRN O=[N+]([O-])c1cnn(C[C@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000438785860 864278064 /nfs/dbraw/zinc/27/80/64/864278064.db2.gz WXBXDLROVGQBJV-SFHVURJKSA-N 0 0 421.482 4.002 20 5 HIBDRN Cc1cccc(N(C)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1C ZINC000438806230 864297833 /nfs/dbraw/zinc/29/78/33/864297833.db2.gz PEQDWRVBAPBJKD-UHFFFAOYSA-N 0 0 413.293 4.108 20 5 HIBDRN C[C@@H]1Sc2ccccc2N(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@H]1C ZINC000438822593 864315852 /nfs/dbraw/zinc/31/58/52/864315852.db2.gz WBIBYUQTVMPEMK-STQMWFEESA-N 0 0 415.496 4.221 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)cccc1[N+](=O)[O-] ZINC000438914112 864393545 /nfs/dbraw/zinc/39/35/45/864393545.db2.gz TULZIZRWEJIGPW-UHFFFAOYSA-N 0 0 400.438 4.482 20 5 HIBDRN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000438928706 864407897 /nfs/dbraw/zinc/40/78/97/864407897.db2.gz IMYHXTVBVXITAC-QKYXUNIQSA-N 0 0 415.877 4.158 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000438949789 864422457 /nfs/dbraw/zinc/42/24/57/864422457.db2.gz CTAOIHBSTCQTJZ-UHFFFAOYSA-N 0 0 418.877 4.182 20 5 HIBDRN Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)c1 ZINC000438968267 864433558 /nfs/dbraw/zinc/43/35/58/864433558.db2.gz NXIHKQNWSCRASD-UHFFFAOYSA-N 0 0 409.486 4.015 20 5 HIBDRN CO[C@@H](C)c1nc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cs1 ZINC000438979991 864443683 /nfs/dbraw/zinc/44/36/83/864443683.db2.gz RBMVUYBYHGLXCV-ZDUSSCGKSA-N 0 0 412.471 4.432 20 5 HIBDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000439022980 864477189 /nfs/dbraw/zinc/47/71/89/864477189.db2.gz VJXQJFZAPOHBGE-BRWVUGGUSA-N 0 0 416.499 4.267 20 5 HIBDRN COc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(OCc2ccccc2)c1 ZINC000439029637 864485229 /nfs/dbraw/zinc/48/52/29/864485229.db2.gz RVYBCDMCQIGHGD-UHFFFAOYSA-N 0 0 408.410 4.200 20 5 HIBDRN CCOC(=O)C[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000439104594 864542009 /nfs/dbraw/zinc/54/20/09/864542009.db2.gz DUGQCPPNEPORHN-HNNXBMFYSA-N 0 0 408.813 4.120 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)CC(C)C)c1 ZINC000439111093 864548932 /nfs/dbraw/zinc/54/89/32/864548932.db2.gz LGOFWQXIAXUOEU-UHFFFAOYSA-N 0 0 403.866 4.471 20 5 HIBDRN CNC(=O)c1ccc(N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c([N+](=O)[O-])c1 ZINC000439128649 864562548 /nfs/dbraw/zinc/56/25/48/864562548.db2.gz HRVWUOYWZCSFOS-LJQANCHMSA-N 0 0 405.458 4.076 20 5 HIBDRN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000439140886 864573447 /nfs/dbraw/zinc/57/34/47/864573447.db2.gz LMLRJVDXAAVJGF-LRDDRELGSA-N 0 0 412.368 4.107 20 5 HIBDRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000439146612 864579093 /nfs/dbraw/zinc/57/90/93/864579093.db2.gz IUYSOHQOGXNHKS-LLVKDONJSA-N 0 0 416.821 4.106 20 5 HIBDRN CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000439149150 864580412 /nfs/dbraw/zinc/58/04/12/864580412.db2.gz YEIUTWOFCKRMJX-UHFFFAOYSA-N 0 0 421.457 4.013 20 5 HIBDRN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000439152169 864583668 /nfs/dbraw/zinc/58/36/68/864583668.db2.gz MCHHBJIZLBFPCM-KRWDZBQOSA-N 0 0 412.833 4.188 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000439154079 864584739 /nfs/dbraw/zinc/58/47/39/864584739.db2.gz NIRGELSWWFARDA-UHFFFAOYSA-N 0 0 406.229 4.102 20 5 HIBDRN Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n[nH]2)c1 ZINC000439153105 864584810 /nfs/dbraw/zinc/58/48/10/864584810.db2.gz DHSCWADSBQGCQE-UHFFFAOYSA-N 0 0 404.348 4.873 20 5 HIBDRN COc1cc(C(=O)N(C)c2ccc(Cl)cc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000439163013 864593699 /nfs/dbraw/zinc/59/36/99/864593699.db2.gz QSBMLHFRRIFVNZ-UHFFFAOYSA-N 0 0 404.728 4.274 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000439173899 864602809 /nfs/dbraw/zinc/60/28/09/864602809.db2.gz VFENBEMNJDDVTO-LBPRGKRZSA-N 0 0 400.822 4.021 20 5 HIBDRN COc1ccc2sc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)c(C)c2c1 ZINC000439183736 864612587 /nfs/dbraw/zinc/61/25/87/864612587.db2.gz CBIPIIUXPBFXLA-UHFFFAOYSA-N 0 0 409.427 4.164 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000439220137 864637623 /nfs/dbraw/zinc/63/76/23/864637623.db2.gz CYGVTWLAGAIOQU-UHFFFAOYSA-N 0 0 404.394 4.269 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC000439244817 864660802 /nfs/dbraw/zinc/66/08/02/864660802.db2.gz HKUFDEWKZJGLAI-UHFFFAOYSA-N 0 0 417.400 4.366 20 5 HIBDRN O=C(Nc1cccc(Cl)c1-n1cncn1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000439257472 864674709 /nfs/dbraw/zinc/67/47/09/864674709.db2.gz JGBMSGIAWYSGDQ-UHFFFAOYSA-N 0 0 420.816 4.143 20 5 HIBDRN O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000467923920 881797124 /nfs/dbraw/zinc/79/71/24/881797124.db2.gz DCJWXJOHJSUEKS-CQSZACIVSA-N 0 0 423.429 4.648 20 5 HIBDRN O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000467923919 881797792 /nfs/dbraw/zinc/79/77/92/881797792.db2.gz DCJWXJOHJSUEKS-AWEZNQCLSA-N 0 0 423.429 4.648 20 5 HIBDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000439378885 864810803 /nfs/dbraw/zinc/81/08/03/864810803.db2.gz OYQAUUDKIOVIKP-UHFFFAOYSA-N 0 0 413.449 4.098 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(SC)cc2)c(C)c([N+](=O)[O-])c1 ZINC000439393500 864817211 /nfs/dbraw/zinc/81/72/11/864817211.db2.gz AMDLJWAQNBVUKS-LBPRGKRZSA-N 0 0 403.460 4.294 20 5 HIBDRN Cc1c(NC(=O)N2CCCC[C@H]2c2ccnn2C)cc(Br)cc1[N+](=O)[O-] ZINC000439401143 864820081 /nfs/dbraw/zinc/82/00/81/864820081.db2.gz CDEWXYDYFPYVHR-HNNXBMFYSA-N 0 0 422.283 4.158 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000439437382 864831599 /nfs/dbraw/zinc/83/15/99/864831599.db2.gz KAASNLTUKISQKZ-KRWDZBQOSA-N 0 0 423.391 4.374 20 5 HIBDRN O=C(CN1CCCc2c3cccc(F)c3[nH]c2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000439463143 864841629 /nfs/dbraw/zinc/84/16/29/864841629.db2.gz AWDWYBCBBDWNFC-UHFFFAOYSA-N 0 0 416.840 4.256 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)c(I)c1 ZINC000439567914 864890998 /nfs/dbraw/zinc/89/09/98/864890998.db2.gz HRNWXZSBZUKOBQ-SSDOTTSWSA-N 0 0 421.141 4.152 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cc(F)c(Br)cc1Cl ZINC000439625561 864951014 /nfs/dbraw/zinc/95/10/14/864951014.db2.gz RVAPLZGUGNTGFN-UHFFFAOYSA-N 0 0 402.607 4.472 20 5 HIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000439646218 864972544 /nfs/dbraw/zinc/97/25/44/864972544.db2.gz OABVXWJXKUCLMT-UHFFFAOYSA-N 0 0 406.446 4.261 20 5 HIBDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000439662711 864991685 /nfs/dbraw/zinc/99/16/85/864991685.db2.gz KDSLLSLZNIKTDO-HNNXBMFYSA-N 0 0 410.474 4.234 20 5 HIBDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000439675885 865009995 /nfs/dbraw/zinc/00/99/95/865009995.db2.gz TUCFNZGSUQYONB-UHFFFAOYSA-N 0 0 422.485 4.240 20 5 HIBDRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000439684671 865019978 /nfs/dbraw/zinc/01/99/78/865019978.db2.gz WPRCFKFAJPJSOQ-UHFFFAOYSA-N 0 0 416.821 4.048 20 5 HIBDRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467995841 881839894 /nfs/dbraw/zinc/83/98/94/881839894.db2.gz VFAYYZVBWWKEGW-UHFFFAOYSA-N 0 0 412.877 4.082 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1OCC(F)(F)F ZINC000467995505 881839926 /nfs/dbraw/zinc/83/99/26/881839926.db2.gz SNTNZCHSZLYQRU-UHFFFAOYSA-N 0 0 401.316 4.039 20 5 HIBDRN CCOCCOc1c(Cl)cccc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467992227 881838495 /nfs/dbraw/zinc/83/84/95/881838495.db2.gz COOOBGGCXAXCOV-UHFFFAOYSA-N 0 0 407.854 4.028 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000439866787 865174180 /nfs/dbraw/zinc/17/41/80/865174180.db2.gz NRTOOXTZYDZLBV-UHFFFAOYSA-N 0 0 423.473 4.177 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000439870064 865178939 /nfs/dbraw/zinc/17/89/39/865178939.db2.gz KVWGTPIJGJTXBO-ZDUSSCGKSA-N 0 0 403.435 4.202 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000439870063 865179031 /nfs/dbraw/zinc/17/90/31/865179031.db2.gz KVWGTPIJGJTXBO-CYBMUJFWSA-N 0 0 403.435 4.202 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000439871071 865182121 /nfs/dbraw/zinc/18/21/21/865182121.db2.gz NQMBGOKGWGEAPX-UHFFFAOYSA-N 0 0 414.393 4.152 20 5 HIBDRN CC[C@@H](NC(=O)NCc1ccc(C)cc1O[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000468002442 881844437 /nfs/dbraw/zinc/84/44/37/881844437.db2.gz FRPUBLFYUJYMEJ-VQTJNVASSA-N 0 0 413.474 4.021 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCc1nc2c(s1)CCCC2 ZINC000439879915 865191103 /nfs/dbraw/zinc/19/11/03/865191103.db2.gz HVKKCWZPPYZEPG-UHFFFAOYSA-N 0 0 404.492 4.083 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000439890165 865201668 /nfs/dbraw/zinc/20/16/68/865201668.db2.gz AAIAXSBZKDYDDB-AWEZNQCLSA-N 0 0 414.245 4.155 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000439889779 865201977 /nfs/dbraw/zinc/20/19/77/865201977.db2.gz WWPZCPBBVUFUCG-AWEZNQCLSA-N 0 0 409.446 4.370 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000439900810 865212380 /nfs/dbraw/zinc/21/23/80/865212380.db2.gz MHQJPLKFPSYION-UHFFFAOYSA-N 0 0 407.430 4.191 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000439934506 865234908 /nfs/dbraw/zinc/23/49/08/865234908.db2.gz RXMHCWUIBDKPRZ-QGZVFWFLSA-N 0 0 422.445 4.148 20 5 HIBDRN O=C(N[C@H](CO)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000439963826 865256664 /nfs/dbraw/zinc/25/66/64/865256664.db2.gz OLQNQHWNWPAICN-KRWDZBQOSA-N 0 0 408.479 4.079 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@H]1O ZINC000468020279 881857078 /nfs/dbraw/zinc/85/70/78/881857078.db2.gz WBGWJMHASQFNAS-MLGOLLRUSA-N 0 0 406.891 4.242 20 5 HIBDRN CC(C)c1nnc2n1CCN(C(=O)c1ccc(Nc3ccccc3)c([N+](=O)[O-])c1)[C@H]2C ZINC000440158019 865387801 /nfs/dbraw/zinc/38/78/01/865387801.db2.gz JLWRTMHBJOHMMU-HNNXBMFYSA-N 0 0 420.473 4.270 20 5 HIBDRN CC[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1cccc(F)c1 ZINC000440191366 865419894 /nfs/dbraw/zinc/41/98/94/865419894.db2.gz SUTUUPJOIKJZIJ-QGZVFWFLSA-N 0 0 401.438 4.239 20 5 HIBDRN C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1ccccc1OCC(=O)Nc1cccnc1 ZINC000468042441 881871643 /nfs/dbraw/zinc/87/16/43/881871643.db2.gz LKIHKEKADOPVDK-KRWDZBQOSA-N 0 0 420.469 4.441 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CC(C)(C)OC(C)(C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000468059029 881880241 /nfs/dbraw/zinc/88/02/41/881880241.db2.gz JETINKGJQDXGRZ-OAHLLOKOSA-N 0 0 412.490 4.193 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(S(=O)(=O)C(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000468075332 881889024 /nfs/dbraw/zinc/88/90/24/881889024.db2.gz YSZBTYGYVBFUEN-UHFFFAOYSA-N 0 0 408.501 4.141 20 5 HIBDRN C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000440338950 865619808 /nfs/dbraw/zinc/61/98/08/865619808.db2.gz MABMFGHDJJGTLL-KRWDZBQOSA-N 0 0 417.465 4.211 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000440416679 865713384 /nfs/dbraw/zinc/71/33/84/865713384.db2.gz OJRCHUWAENZPEG-UHFFFAOYSA-N 0 0 424.482 4.116 20 5 HIBDRN C[C@H](c1cccc(O)c1)N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000440417468 865714682 /nfs/dbraw/zinc/71/46/82/865714682.db2.gz QYMCCWTTYLIPRF-CYBMUJFWSA-N 0 0 412.471 4.055 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000440428880 865730005 /nfs/dbraw/zinc/73/00/05/865730005.db2.gz QPAFUWYZVXRANE-AVRDEDQJSA-N 0 0 420.469 4.422 20 5 HIBDRN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440454435 865756784 /nfs/dbraw/zinc/75/67/84/865756784.db2.gz HELXYVYREOSLRX-UHFFFAOYSA-N 0 0 408.435 4.405 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)ncn4C)cc2[N+](=O)[O-])C1 ZINC000440533435 865807288 /nfs/dbraw/zinc/80/72/88/865807288.db2.gz JEBCTANSXPAKMZ-GASCZTMLSA-N 0 0 407.474 4.216 20 5 HIBDRN Cc1nc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)sc1C ZINC000440539711 865811144 /nfs/dbraw/zinc/81/11/44/865811144.db2.gz OTTWPDYWYUGVMC-CYBMUJFWSA-N 0 0 411.487 4.166 20 5 HIBDRN Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000440595477 865829788 /nfs/dbraw/zinc/82/97/88/865829788.db2.gz FKZKEVWCFVHAOV-UHFFFAOYSA-N 0 0 419.437 4.368 20 5 HIBDRN O=C(c1cnc(-c2ncccn2)s1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440611382 865837282 /nfs/dbraw/zinc/83/72/82/865837282.db2.gz OBSZNPNBGPVSLQ-UHFFFAOYSA-N 0 0 417.450 4.355 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(OCC4CC4)CC3)cc2[N+](=O)[O-])C1 ZINC000440612976 865839074 /nfs/dbraw/zinc/83/90/74/865839074.db2.gz KRFMSKDAYNLMPU-IAGOWNOFSA-N 0 0 415.534 4.108 20 5 HIBDRN O=C(CSC[C@@H]1CCCCO1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440615555 865839887 /nfs/dbraw/zinc/83/98/87/865839887.db2.gz UZGCIMPSZOZYKH-FQEVSTJZSA-N 0 0 400.500 4.430 20 5 HIBDRN Cc1ccc(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c(OC(C)(C)C)c1 ZINC000440634695 865850322 /nfs/dbraw/zinc/85/03/22/865850322.db2.gz BOPHIRJYEBMVED-UHFFFAOYSA-N 0 0 409.442 4.264 20 5 HIBDRN COCc1nc(CNc2nc3sccn3c2[N+](=O)[O-])c(-c2ccccc2)s1 ZINC000440675445 865862461 /nfs/dbraw/zinc/86/24/61/865862461.db2.gz UWVRXWRXQLKKQV-UHFFFAOYSA-N 0 0 401.473 4.186 20 5 HIBDRN O=C(CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000440696417 865868242 /nfs/dbraw/zinc/86/82/42/865868242.db2.gz SXSHFXGCKOJTFL-UHFFFAOYSA-N 0 0 407.451 4.115 20 5 HIBDRN Cc1ccnc(Oc2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)n1 ZINC000440827634 865943709 /nfs/dbraw/zinc/94/37/09/865943709.db2.gz SCSVGLSQIPIYAW-UHFFFAOYSA-N 0 0 403.398 4.079 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000440847476 865955367 /nfs/dbraw/zinc/95/53/67/865955367.db2.gz VXZWXWKGAKEMBC-GDBMZVCRSA-N 0 0 404.488 4.429 20 5 HIBDRN Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000440897271 865992158 /nfs/dbraw/zinc/99/21/58/865992158.db2.gz AJVWBXNEXZYWBH-UHFFFAOYSA-N 0 0 414.849 4.200 20 5 HIBDRN NC(=O)NCc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 ZINC000441078793 866174086 /nfs/dbraw/zinc/17/40/86/866174086.db2.gz XGYFBJCCVOXABO-UHFFFAOYSA-N 0 0 422.466 4.167 20 5 HIBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(Br)s2)CC1 ZINC000441179201 866256908 /nfs/dbraw/zinc/25/69/08/866256908.db2.gz UUJASAVUBGTTDJ-ZDUSSCGKSA-N 0 0 410.337 4.298 20 5 HIBDRN Cc1ccc(CCN(Cc2ccco2)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000441231387 866307295 /nfs/dbraw/zinc/30/72/95/866307295.db2.gz MJFHYNRHPDTNTE-UHFFFAOYSA-N 0 0 421.453 4.015 20 5 HIBDRN COCc1nc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(-c2ccccc2)s1 ZINC000441265943 866340613 /nfs/dbraw/zinc/34/06/13/866340613.db2.gz ZTAZVSWYZKSCLS-UHFFFAOYSA-N 0 0 412.471 4.495 20 5 HIBDRN CCOc1ccccc1CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000441275954 866351762 /nfs/dbraw/zinc/35/17/62/866351762.db2.gz IVUUIUULVRSRDH-INIZCTEOSA-N 0 0 412.490 4.040 20 5 HIBDRN CCO[C@H](C)c1nc(CN2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000441357826 866426859 /nfs/dbraw/zinc/42/68/59/866426859.db2.gz NBDRNVMTGZKRTP-JKSUJKDBSA-N 0 0 404.536 4.028 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000441385909 866457975 /nfs/dbraw/zinc/45/79/75/866457975.db2.gz NUVPOROPWSFZLR-KBPBESRZSA-N 0 0 403.866 4.146 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000441385911 866458123 /nfs/dbraw/zinc/45/81/23/866458123.db2.gz NUVPOROPWSFZLR-KGLIPLIRSA-N 0 0 403.866 4.146 20 5 HIBDRN CCCCS(=O)(=O)c1ccc(C(=O)N(CCC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000441449547 866525868 /nfs/dbraw/zinc/52/58/68/866525868.db2.gz JEKBLVFHJRQAFA-UHFFFAOYSA-N 0 0 404.488 4.225 20 5 HIBDRN Cc1ccc(-n2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cn2)c(C)c1 ZINC000468138102 881987513 /nfs/dbraw/zinc/98/75/13/881987513.db2.gz KAYHJSURCIFGJR-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CCCN(C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441478648 866557726 /nfs/dbraw/zinc/55/77/26/866557726.db2.gz PGDPFXBZJVUJDW-UHFFFAOYSA-N 0 0 409.486 4.458 20 5 HIBDRN CCCN(C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000441486014 866566569 /nfs/dbraw/zinc/56/65/69/866566569.db2.gz MFAQOLROSVLJNV-UHFFFAOYSA-N 0 0 412.421 4.468 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000441523590 866598839 /nfs/dbraw/zinc/59/88/39/866598839.db2.gz KPJSGLZLLDGFCV-MRXNPFEDSA-N 0 0 400.822 4.110 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000468142910 881998874 /nfs/dbraw/zinc/99/88/74/881998874.db2.gz AUHOGWKOHOCCPW-LJQANCHMSA-N 0 0 415.833 4.439 20 5 HIBDRN COc1cc(C(=O)N(C)c2nccn2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000468150596 882010019 /nfs/dbraw/zinc/01/00/19/882010019.db2.gz SIKBMHMDRPKLFU-UHFFFAOYSA-N 0 0 416.821 4.059 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000441672282 866795921 /nfs/dbraw/zinc/79/59/21/866795921.db2.gz FRJDNXXLUDEXJM-UHFFFAOYSA-N 0 0 421.400 4.244 20 5 HIBDRN CCc1nc(C(C)(C)NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)no1 ZINC000441732936 866825422 /nfs/dbraw/zinc/82/54/22/866825422.db2.gz VNSUVOOVYBYLHI-UHFFFAOYSA-N 0 0 406.508 4.344 20 5 HIBDRN O=C(NCc1cccc(COCC(F)(F)F)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000441743002 866830895 /nfs/dbraw/zinc/83/08/95/866830895.db2.gz ZYCOBZGGGJJKFS-UHFFFAOYSA-N 0 0 402.756 4.257 20 5 HIBDRN CC(C)(C(=O)NCc1cccc(COCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000441743783 866831728 /nfs/dbraw/zinc/83/17/28/866831728.db2.gz TWBWOKSWALOWCX-UHFFFAOYSA-N 0 0 410.392 4.268 20 5 HIBDRN C[C@@H](O)CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441784734 866857537 /nfs/dbraw/zinc/85/75/37/866857537.db2.gz DHFHYCYUDGCVGY-QWHCGFSZSA-N 0 0 409.845 4.233 20 5 HIBDRN O=C(N[C@@H]1COc2ccccc2C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441837465 866896293 /nfs/dbraw/zinc/89/62/93/866896293.db2.gz MPYDBGYYRABIMF-INIZCTEOSA-N 0 0 406.463 4.480 20 5 HIBDRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000441848882 866911374 /nfs/dbraw/zinc/91/13/74/866911374.db2.gz PCQPIARDVUUYNB-HNNXBMFYSA-N 0 0 410.474 4.168 20 5 HIBDRN C[C@H](O)[C@@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000468183848 882060688 /nfs/dbraw/zinc/06/06/88/882060688.db2.gz ROFRIRRLRKFNJP-QWHCGFSZSA-N 0 0 406.891 4.242 20 5 HIBDRN CCN(c1ccc(Cl)c(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000442222877 867250732 /nfs/dbraw/zinc/25/07/32/867250732.db2.gz KZUBAVZOETZMCH-UHFFFAOYSA-N 0 0 409.826 4.151 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)c(C(F)(F)F)c1 ZINC000442247849 867287077 /nfs/dbraw/zinc/28/70/77/867287077.db2.gz GGXLYYQAZMSMBP-UHFFFAOYSA-N 0 0 416.711 4.346 20 5 HIBDRN C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442532022 867507220 /nfs/dbraw/zinc/50/72/20/867507220.db2.gz ZLXGWULBLGNEJV-MRXNPFEDSA-N 0 0 403.438 4.420 20 5 HIBDRN COCc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)c(-c2ccccc2)s1 ZINC000442571465 867538395 /nfs/dbraw/zinc/53/83/95/867538395.db2.gz DFRNBOCENYERTA-UHFFFAOYSA-N 0 0 416.434 4.326 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)CC(C)=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000442590055 867549423 /nfs/dbraw/zinc/54/94/23/867549423.db2.gz BJLJMUIYWRFIIN-LLVKDONJSA-N 0 0 406.822 4.147 20 5 HIBDRN O=C(NCc1ccn2ccnc2c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442633987 867577689 /nfs/dbraw/zinc/57/76/89/867577689.db2.gz LOBRKIZLKKNDOT-UHFFFAOYSA-N 0 0 404.451 4.324 20 5 HIBDRN O=C(Nc1ccc(OCCO)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442638143 867581042 /nfs/dbraw/zinc/58/10/42/867581042.db2.gz 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O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[C@H]1CCc2c1cccc2Cl ZINC000443399743 867959419 /nfs/dbraw/zinc/95/94/19/867959419.db2.gz OEUZCXWTZUFHHT-AWEZNQCLSA-N 0 0 416.680 4.472 20 5 HIBDRN Cc1cc(Cn2cc(Br)c([N+](=O)[O-])n2)nc(-c2ccc(Cl)cc2)n1 ZINC000443523205 868081122 /nfs/dbraw/zinc/08/11/22/868081122.db2.gz RBGAXVOCPASQRZ-UHFFFAOYSA-N 0 0 408.643 4.021 20 5 HIBDRN CC[C@@]1(C)CCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000468252465 882160445 /nfs/dbraw/zinc/16/04/45/882160445.db2.gz URHCPDFZWVZGCB-QHCPKHFHSA-N 0 0 409.486 4.154 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443642733 868227172 /nfs/dbraw/zinc/22/71/72/868227172.db2.gz PCTBQHILXOMWPC-UONOGXRCSA-N 0 0 412.421 4.082 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H](Oc4ccccc4Cl)C3)n2)cc1 ZINC000443659976 868265594 /nfs/dbraw/zinc/26/55/94/868265594.db2.gz YDXTYPYVZCKXRT-INIZCTEOSA-N 0 0 414.849 4.342 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1CC(=O)c1cccs1 ZINC000443675419 868283226 /nfs/dbraw/zinc/28/32/26/868283226.db2.gz PINWSFOBBQKWNO-JSGCOSHPSA-N 0 0 422.890 4.341 20 5 HIBDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443682472 868287390 /nfs/dbraw/zinc/28/73/90/868287390.db2.gz MHVDGRLHRBCHMF-GFCCVEGCSA-N 0 0 402.394 4.136 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443684186 868288771 /nfs/dbraw/zinc/28/87/71/868288771.db2.gz QDWAHSBBTNMOMT-AWEZNQCLSA-N 0 0 417.512 4.207 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443692937 868292112 /nfs/dbraw/zinc/29/21/12/868292112.db2.gz YPDHXLPTHKNXCH-UHFFFAOYSA-N 0 0 413.499 4.094 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)NC2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000443767866 868328366 /nfs/dbraw/zinc/32/83/66/868328366.db2.gz BVKHRBOMJKRKFX-UHFFFAOYSA-N 0 0 401.271 4.010 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2F)c1 ZINC000443779362 868329816 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VMQSCNYYAKANDQ-CQSZACIVSA-N 0 0 402.466 4.317 20 5 HIBDRN CCc1n[nH]c(C(=O)N(CC)[C@H](c2ccc(Cl)cc2)c2ccccn2)c1[N+](=O)[O-] ZINC000444268717 868706226 /nfs/dbraw/zinc/70/62/26/868706226.db2.gz OJFSXIUBLIWAJW-GOSISDBHSA-N 0 0 413.865 4.180 20 5 HIBDRN CC[C@@H](C)n1nc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1C ZINC000444283760 868713640 /nfs/dbraw/zinc/71/36/40/868713640.db2.gz DCBRQKXJKLKFBQ-LLVKDONJSA-N 0 0 410.424 4.688 20 5 HIBDRN CCCCn1cc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(C)n1 ZINC000444285934 868715837 /nfs/dbraw/zinc/71/58/37/868715837.db2.gz IFDSJFDXGVZJBO-UHFFFAOYSA-N 0 0 424.451 4.195 20 5 HIBDRN O=C(NCCCNc1cccc(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444286440 868716170 /nfs/dbraw/zinc/71/61/70/868716170.db2.gz ABRSBXBROZGGHG-UHFFFAOYSA-N 0 0 407.420 4.192 20 5 HIBDRN O=C(NCCCNc1ccccc1F)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444295236 868723836 /nfs/dbraw/zinc/72/38/36/868723836.db2.gz OEIUQFNNLWJPHA-UHFFFAOYSA-N 0 0 407.420 4.192 20 5 HIBDRN C[C@H]1CC[C@H](NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000444314004 868744721 /nfs/dbraw/zinc/74/47/21/868744721.db2.gz FRKRDDBFKZEEJY-LPHOPBHVSA-N 0 0 404.470 4.295 20 5 HIBDRN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444326522 868754218 /nfs/dbraw/zinc/75/42/18/868754218.db2.gz OTONCSPFWIMJQP-KKSFZXQISA-N 0 0 416.452 4.471 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000468302425 882225712 /nfs/dbraw/zinc/22/57/12/882225712.db2.gz HROLCIYGQGCMKA-OWQGQXMQSA-N 0 0 418.902 4.242 20 5 HIBDRN CN(CC1(O)CCC1)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000468301483 882224342 /nfs/dbraw/zinc/22/43/42/882224342.db2.gz UXFZTNHRFFFTPS-UHFFFAOYSA-N 0 0 406.891 4.386 20 5 HIBDRN CCc1n[nH]c(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000444353618 868782010 /nfs/dbraw/zinc/78/20/10/868782010.db2.gz UGVYDLOUNGNKTE-HIFRSBDPSA-N 0 0 410.396 4.307 20 5 HIBDRN 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Cc1coc(-c2cccc(NC(=O)NCCCNc3ccc(C)cc3[N+](=O)[O-])c2)n1 ZINC000468324838 882256287 /nfs/dbraw/zinc/25/62/87/882256287.db2.gz ALMCKSOBIZYUNR-UHFFFAOYSA-N 0 0 409.446 4.490 20 5 HIBDRN O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444853091 869055226 /nfs/dbraw/zinc/05/52/26/869055226.db2.gz CXJUAXHQNKXYLW-UHFFFAOYSA-N 0 0 420.852 4.036 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000444864074 869064151 /nfs/dbraw/zinc/06/41/51/869064151.db2.gz VDUHVTAFBTXUCN-UHFFFAOYSA-N 0 0 422.376 4.119 20 5 HIBDRN Cc1ccc(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1NC(=O)C(C)(C)C ZINC000444892622 869079851 /nfs/dbraw/zinc/07/98/51/869079851.db2.gz BSNKERHLDOECSY-UHFFFAOYSA-N 0 0 424.461 4.086 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000444895187 869083430 /nfs/dbraw/zinc/08/34/30/869083430.db2.gz KPJSYJFDKVDENJ-UHFFFAOYSA-N 0 0 413.743 4.465 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 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871529071 /nfs/dbraw/zinc/52/90/71/871529071.db2.gz VQYQQANINFIRNN-UHFFFAOYSA-N 0 0 405.458 4.321 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1C ZINC000447652891 871580987 /nfs/dbraw/zinc/58/09/87/871580987.db2.gz OYLSPTQUFLJNIY-UHFFFAOYSA-N 0 0 414.465 4.383 20 5 HIBDRN O=C(NC1CC1)c1ccc(N2CCn3c(cc4ccc(Cl)cc43)C2)c([N+](=O)[O-])c1 ZINC000447667598 871597928 /nfs/dbraw/zinc/59/79/28/871597928.db2.gz KZZZZKLQRPFNFY-UHFFFAOYSA-N 0 0 410.861 4.115 20 5 HIBDRN COCCOc1cccc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC000447674976 871606156 /nfs/dbraw/zinc/60/61/56/871606156.db2.gz IZJUAAINPHRNLG-UHFFFAOYSA-N 0 0 407.295 4.413 20 5 HIBDRN CCCOc1ncccc1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447677053 871608046 /nfs/dbraw/zinc/60/80/46/871608046.db2.gz DUKJTRGRSWQKMI-UHFFFAOYSA-N 0 0 406.311 4.440 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCc1c[nH]c2ncccc12 ZINC000447677230 871608815 /nfs/dbraw/zinc/60/88/15/871608815.db2.gz FFSKIIMFESBYGV-UHFFFAOYSA-N 0 0 401.295 4.175 20 5 HIBDRN Cc1ccc(C(=O)Nc2cccc(CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)c2)cc1 ZINC000447679797 871610839 /nfs/dbraw/zinc/61/08/39/871610839.db2.gz OZTVQJFDMZTSES-UHFFFAOYSA-N 0 0 401.426 4.066 20 5 HIBDRN Cc1cccc2nc(CNc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])cn21 ZINC000447680149 871612034 /nfs/dbraw/zinc/61/20/34/871612034.db2.gz GFFQXXMNDWBKFL-UHFFFAOYSA-N 0 0 401.295 4.212 20 5 HIBDRN O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447683579 871612840 /nfs/dbraw/zinc/61/28/40/871612840.db2.gz RINUZPAYZYOKCF-SFHVURJKSA-N 0 0 411.849 4.077 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1SCCCNc1ncccn1 ZINC000447683849 871617669 /nfs/dbraw/zinc/61/76/69/871617669.db2.gz UORCFHYGGHMPMX-UHFFFAOYSA-N 0 0 409.340 4.028 20 5 HIBDRN CN1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])Cc2ccccc21 ZINC000447686101 871619832 /nfs/dbraw/zinc/61/98/32/871619832.db2.gz ORLOBQJXWLWUKZ-UHFFFAOYSA-N 0 0 402.323 4.100 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447694527 871631015 /nfs/dbraw/zinc/63/10/15/871631015.db2.gz IJQDUQMLYWKWRR-UHFFFAOYSA-N 0 0 413.503 4.054 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000447695601 871635736 /nfs/dbraw/zinc/63/57/36/871635736.db2.gz XNSLDQOUEKRUMT-UHFFFAOYSA-N 0 0 420.212 4.318 20 5 HIBDRN CC(C)n1ncc2c1C[C@H](Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])CC2 ZINC000447695679 871636523 /nfs/dbraw/zinc/63/65/23/871636523.db2.gz YDZDPPJVNLHNAM-LLVKDONJSA-N 0 0 419.354 4.391 20 5 HIBDRN Cc1ccc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC000447696277 871637696 /nfs/dbraw/zinc/63/76/96/871637696.db2.gz RPKQXSIVTQINDW-UHFFFAOYSA-N 0 0 418.291 4.382 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000447717448 871659529 /nfs/dbraw/zinc/65/95/29/871659529.db2.gz VFVZNQUJCCBYOL-UHFFFAOYSA-N 0 0 413.449 4.048 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(F)c(Cl)cc1F ZINC000447726701 871674395 /nfs/dbraw/zinc/67/43/95/871674395.db2.gz GVWSGYSEGQSMDS-UHFFFAOYSA-N 0 0 416.833 4.195 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(NCc2nc(-c3cccc(Br)c3)no2)c(F)c1 ZINC000447814995 871745816 /nfs/dbraw/zinc/74/58/16/871745816.db2.gz CNDFWJPNFJNACO-UHFFFAOYSA-N 0 0 411.162 4.298 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(NCc2nc(-c3cccc(Br)c3)no2)n1 ZINC000447815914 871748611 /nfs/dbraw/zinc/74/86/11/871748611.db2.gz HBEQYCNRFZQSSM-UHFFFAOYSA-N 0 0 404.224 4.031 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1(c2c(Cl)cccc2Cl)CCC1 ZINC000447851541 871770754 /nfs/dbraw/zinc/77/07/54/871770754.db2.gz SONAGJHFHISELA-UHFFFAOYSA-N 0 0 415.298 4.400 20 5 HIBDRN COCC1(C)CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)C1 ZINC000447885960 871800498 /nfs/dbraw/zinc/80/04/98/871800498.db2.gz LZOINRMWLJLSLQ-UHFFFAOYSA-N 0 0 420.849 4.158 20 5 HIBDRN O=C(c1cc(Br)cc(NCc2csc([N+](=O)[O-])c2)c1)N1CCCC1 ZINC000447993698 871841445 /nfs/dbraw/zinc/84/14/45/871841445.db2.gz ZWNPKSILEGWWKC-UHFFFAOYSA-N 0 0 410.293 4.267 20 5 HIBDRN CCOC(=O)[C@@H](Sc1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000448095570 871934987 /nfs/dbraw/zinc/93/49/87/871934987.db2.gz ABXLBKNMBKLLOQ-AWEZNQCLSA-N 0 0 415.240 4.288 20 5 HIBDRN Cc1ccc(NC(=O)Cc2nc(CSc3ccc([N+](=O)[O-])cn3)cs2)cc1 ZINC000448097533 871938502 /nfs/dbraw/zinc/93/85/02/871938502.db2.gz PETHGOGGTFEHMT-UHFFFAOYSA-N 0 0 400.485 4.228 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000448103002 871947775 /nfs/dbraw/zinc/94/77/75/871947775.db2.gz NYGGSQWVNBBXHT-UHFFFAOYSA-N 0 0 411.405 4.292 20 5 HIBDRN O=C1[C@H](Sc2ccc(Br)cc2[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000448104896 871951291 /nfs/dbraw/zinc/95/12/91/871951291.db2.gz LOCZBYVUZUQAPY-LLVKDONJSA-N 0 0 413.215 4.003 20 5 HIBDRN CO[C@H]1CCOc2c(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cccc21 ZINC000448110811 871958294 /nfs/dbraw/zinc/95/82/94/871958294.db2.gz UPDODCORYCLICS-GTNSWQLSSA-N 0 0 405.838 4.157 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000448111933 871961080 /nfs/dbraw/zinc/96/10/80/871961080.db2.gz QUHVCZROWONDIL-JTQLQIEISA-N 0 0 404.448 4.372 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCCC[C@H]2Oc2ccccc2C)cc([N+](=O)[O-])c1OC ZINC000448186185 872064460 /nfs/dbraw/zinc/06/44/60/872064460.db2.gz VYHQMGOHHHYCCY-VQIMIIECSA-N 0 0 414.458 4.040 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000448188807 872069291 /nfs/dbraw/zinc/06/92/91/872069291.db2.gz CSZPBKDOUIXVHJ-WBVHZDCISA-N 0 0 424.526 4.317 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2ccn(CC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000448398940 872345868 /nfs/dbraw/zinc/34/58/68/872345868.db2.gz YDRWEAIVXPBVBC-UHFFFAOYSA-N 0 0 416.425 4.744 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000468556783 882605106 /nfs/dbraw/zinc/60/51/06/882605106.db2.gz UQTIJFKDSUXGEG-CQSZACIVSA-N 0 0 422.254 4.213 20 5 HIBDRN CC(C)N(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cnc2ccccc2c1 ZINC000448458253 872409658 /nfs/dbraw/zinc/40/96/58/872409658.db2.gz FWQNIJHORRHHDB-UHFFFAOYSA-N 0 0 401.426 4.384 20 5 HIBDRN CC(C)N(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1cnc2ccccc2c1 ZINC000448460633 872417283 /nfs/dbraw/zinc/41/72/83/872417283.db2.gz DPCFWCUKPHIKHE-UHFFFAOYSA-N 0 0 401.426 4.384 20 5 HIBDRN O=C(Nc1cc(-c2ccccc2F)on1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000448493629 872479571 /nfs/dbraw/zinc/47/95/71/872479571.db2.gz YEBWJBAJNMHJNV-UHFFFAOYSA-N 0 0 410.386 4.765 20 5 HIBDRN CC(C)(C)[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000460111202 872577576 /nfs/dbraw/zinc/57/75/76/872577576.db2.gz XFTSFDUWSIOXBR-IBGZPJMESA-N 0 0 401.438 4.425 20 5 HIBDRN CN(C)c1noc(C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 ZINC000460144578 872654559 /nfs/dbraw/zinc/65/45/59/872654559.db2.gz XAXKGYAEFUYDKR-SDNWHVSQSA-N 0 0 407.455 4.437 20 5 HIBDRN Cc1c(Cc2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)cccc1[N+](=O)[O-] ZINC000460146194 872656854 /nfs/dbraw/zinc/65/68/54/872656854.db2.gz CJAXCNOKWNDDFN-UHFFFAOYSA-N 0 0 420.347 4.077 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000460148201 872663749 /nfs/dbraw/zinc/66/37/49/872663749.db2.gz CRWGABLOFLLGJP-DEOSSOPVSA-N 0 0 402.450 4.368 20 5 HIBDRN O=c1cc(-c2nc(CCn3ccc4ccccc43)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000460152218 872676184 /nfs/dbraw/zinc/67/61/84/872676184.db2.gz YVSBPECUKFAONX-UHFFFAOYSA-N 0 0 401.382 4.096 20 5 HIBDRN Cc1ccc(-c2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1[N+](=O)[O-] ZINC000460153734 872682346 /nfs/dbraw/zinc/68/23/46/872682346.db2.gz ZJQDPTQCIIWZNS-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000460207286 872788367 /nfs/dbraw/zinc/78/83/67/872788367.db2.gz SXOUJCZGAVUQQF-YWZLYKJASA-N 0 0 407.474 4.469 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000460226702 872811773 /nfs/dbraw/zinc/81/17/73/872811773.db2.gz AGPRDISKRRFOAN-YWZLYKJASA-N 0 0 407.474 4.469 20 5 HIBDRN Cc1csc([C@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000460245932 872833624 /nfs/dbraw/zinc/83/36/24/872833624.db2.gz NNOCNIZBWXABTE-LJQANCHMSA-N 0 0 414.531 4.477 20 5 HIBDRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000460267696 872856844 /nfs/dbraw/zinc/85/68/44/872856844.db2.gz PPDBZHWSXDEGJA-UHFFFAOYSA-N 0 0 411.227 4.038 20 5 HIBDRN CCn1c(Cn2ccc3ccccc32)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000460302919 872892028 /nfs/dbraw/zinc/89/20/28/872892028.db2.gz LQLZSGOCZLHCDI-UHFFFAOYSA-N 0 0 416.485 4.378 20 5 HIBDRN Cc1csc([C@H](NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000460312212 872898156 /nfs/dbraw/zinc/89/81/56/872898156.db2.gz PUYFZEVSASFRNM-BFUOFWGJSA-N 0 0 414.531 4.477 20 5 HIBDRN Cc1csc([C@@H](NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000460312215 872898220 /nfs/dbraw/zinc/89/82/20/872898220.db2.gz PUYFZEVSASFRNM-YJYMSZOUSA-N 0 0 414.531 4.477 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000460312614 872898749 /nfs/dbraw/zinc/89/87/49/872898749.db2.gz NUPLXIIDDYAIRU-FQEVSTJZSA-N 0 0 417.391 4.227 20 5 HIBDRN CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000460317038 872905178 /nfs/dbraw/zinc/90/51/78/872905178.db2.gz LOLRXBVALGCCIO-UHFFFAOYSA-N 0 0 415.881 4.214 20 5 HIBDRN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 ZINC000460319603 872913313 /nfs/dbraw/zinc/91/33/13/872913313.db2.gz HRLZSAHPBWMEFD-HNNXBMFYSA-N 0 0 413.655 4.128 20 5 HIBDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000460341473 872952570 /nfs/dbraw/zinc/95/25/70/872952570.db2.gz BQFGLHLRRYKOIQ-CQSZACIVSA-N 0 0 408.483 4.451 20 5 HIBDRN COc1cc(Br)ccc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460349260 872968103 /nfs/dbraw/zinc/96/81/03/872968103.db2.gz RLJRQJRBDAQMFR-QGZVFWFLSA-N 0 0 423.288 4.254 20 5 HIBDRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460356988 872981272 /nfs/dbraw/zinc/98/12/72/872981272.db2.gz QJRBSYHOTRLFJH-VOJFVSQTSA-N 0 0 410.854 4.429 20 5 HIBDRN O=C(c1cccc(OCc2cccnc2)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460360004 872986702 /nfs/dbraw/zinc/98/67/02/872986702.db2.gz PQGXMQBZJXBLIU-QFIPXVFZSA-N 0 0 421.478 4.457 20 5 HIBDRN COc1ccc(-n2c(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])nc3ccccc32)cc1 ZINC000460394510 873042659 /nfs/dbraw/zinc/04/26/59/873042659.db2.gz SIPNRKXMNAYFKW-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN COc1cccc(-n2c3ccccc3nc2NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000460394704 873043048 /nfs/dbraw/zinc/04/30/48/873043048.db2.gz SVTDNJWRBBOCNG-UHFFFAOYSA-N 0 0 402.410 4.124 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1SC ZINC000460408577 873060584 /nfs/dbraw/zinc/06/05/84/873060584.db2.gz BHCZYNLJJHIITN-IFXJQAMLSA-N 0 0 416.499 4.236 20 5 HIBDRN CO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)[C@@H](C)C1 ZINC000460412436 873066021 /nfs/dbraw/zinc/06/60/21/873066021.db2.gz ORACAUAXBZLKJE-LAUBAEHRSA-N 0 0 421.501 4.100 20 5 HIBDRN CO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)[C@H](C)C1 ZINC000460412437 873066400 /nfs/dbraw/zinc/06/64/00/873066400.db2.gz ORACAUAXBZLKJE-UTKZUKDTSA-N 0 0 421.501 4.100 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N(C[C@@H]3CCCO3)C3CCCC3)cc2[N+](=O)[O-])C1 ZINC000460447077 873117791 /nfs/dbraw/zinc/11/77/91/873117791.db2.gz DQXUUDMNGGYPRX-PXNSSMCTSA-N 0 0 415.534 4.395 20 5 HIBDRN COc1cccc(-c2ccc(CNC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)c1 ZINC000460452532 873129067 /nfs/dbraw/zinc/12/90/67/873129067.db2.gz STCKFLAWSAHEMD-UHFFFAOYSA-N 0 0 406.438 4.356 20 5 HIBDRN CSc1ccc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000460460319 873140333 /nfs/dbraw/zinc/14/03/33/873140333.db2.gz MQLMZHJTOYHEJK-UHFFFAOYSA-N 0 0 419.478 4.335 20 5 HIBDRN Cc1noc(-c2ccccc2)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000460461519 873142423 /nfs/dbraw/zinc/14/24/23/873142423.db2.gz QEQUAYVOACQPFK-UHFFFAOYSA-N 0 0 406.442 4.413 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000460465416 873149024 /nfs/dbraw/zinc/14/90/24/873149024.db2.gz AFPHKHFPJUPGDB-UHFFFAOYSA-N 0 0 422.338 4.124 20 5 HIBDRN C[C@@H](CCc1cccn1C)NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000460470928 873155778 /nfs/dbraw/zinc/15/57/78/873155778.db2.gz WSHRGTUWFARBAQ-KURKYZTESA-N 0 0 412.534 4.167 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)N2CCCCCc3ccccc32)cc1[N+](=O)[O-] ZINC000460493339 873178241 /nfs/dbraw/zinc/17/82/41/873178241.db2.gz RUSBWZNXTDFFTO-UHFFFAOYSA-N 0 0 423.498 4.248 20 5 HIBDRN CC[C@H](NC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000460493787 873178353 /nfs/dbraw/zinc/17/83/53/873178353.db2.gz XKRYNNBMEGXZCC-VDGAXYAQSA-N 0 0 417.893 4.117 20 5 HIBDRN Cc1nn(C)c(C(=O)N(CCSc2ccc(F)cc2)c2ccccc2)c1[N+](=O)[O-] ZINC000460495747 873181956 /nfs/dbraw/zinc/18/19/56/873181956.db2.gz KNMSWAAWCHLDRQ-UHFFFAOYSA-N 0 0 414.462 4.215 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000460501719 873186747 /nfs/dbraw/zinc/18/67/47/873186747.db2.gz YTAOYGIRXPIDOA-UHFFFAOYSA-N 0 0 405.241 4.060 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000460524689 873216401 /nfs/dbraw/zinc/21/64/01/873216401.db2.gz WEGDBFUFISBFQJ-CQSZACIVSA-N 0 0 419.934 4.489 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000460556887 873276074 /nfs/dbraw/zinc/27/60/74/873276074.db2.gz WATOJHQBPYYKAV-SLSDUTBNSA-N 0 0 404.850 4.149 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000460572299 873306245 /nfs/dbraw/zinc/30/62/45/873306245.db2.gz BIRROVWXJNLUCS-NXPJVHOHSA-N 0 0 404.850 4.393 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@H](C)CO2)c1 ZINC000460580244 873316002 /nfs/dbraw/zinc/31/60/02/873316002.db2.gz FQPBMLNDTZDJCX-VGSWGCGISA-N 0 0 407.470 4.155 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000468607398 882712119 /nfs/dbraw/zinc/71/21/19/882712119.db2.gz BKPDUMCUDLYFDK-QGZVFWFLSA-N 0 0 405.401 4.024 20 5 HIBDRN Cc1cccnc1-c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1CC(C)C ZINC000460629291 873371165 /nfs/dbraw/zinc/37/11/65/873371165.db2.gz XFYLUNPERZFNBA-UHFFFAOYSA-N 0 0 406.490 4.382 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000460710535 873496128 /nfs/dbraw/zinc/49/61/28/873496128.db2.gz BBMXWXXSINAIDY-DYESRHJHSA-N 0 0 421.501 4.477 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1C1CCCC1 ZINC000460721220 873522301 /nfs/dbraw/zinc/52/23/01/873522301.db2.gz DTWHSPQGUBZCEA-HXUWFJFHSA-N 0 0 413.522 4.439 20 5 HIBDRN Cc1cc(C)c(Br)c(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC000460760091 873599543 /nfs/dbraw/zinc/59/95/43/873599543.db2.gz XHOXJZUUNJJIMY-UHFFFAOYSA-N 0 0 421.247 4.388 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1CC(C)C ZINC000460798096 873667742 /nfs/dbraw/zinc/66/77/42/873667742.db2.gz LNOBKVIGBSNKGN-SFHVURJKSA-N 0 0 401.511 4.295 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccc(Br)cn3)no2)ccc1N1CCCC1 ZINC000460825950 873711435 /nfs/dbraw/zinc/71/14/35/873711435.db2.gz ADKCWGCBZKRHAZ-UHFFFAOYSA-N 0 0 416.235 4.070 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)cc([N+](=O)[O-])c1OC ZINC000461006532 873881404 /nfs/dbraw/zinc/88/14/04/873881404.db2.gz KGAGZIIPQJUOAJ-CYBMUJFWSA-N 0 0 419.503 4.212 20 5 HIBDRN Cc1cc(C)c(Br)c(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000461016176 873885577 /nfs/dbraw/zinc/88/55/77/873885577.db2.gz PDAFISHBCKFVCD-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3Cc4ccccc4C3)n2Cc2cccs2)c1 ZINC000461014569 873885741 /nfs/dbraw/zinc/88/57/41/873885741.db2.gz KLBQRANILAPYGS-UHFFFAOYSA-N 0 0 403.467 4.483 20 5 HIBDRN C[C@@H](N(C)C(=O)c1cc(C(=O)N(C)[C@H](C)C2(C)CC2)cc([N+](=O)[O-])c1)C1(C)CC1 ZINC000461024932 873890884 /nfs/dbraw/zinc/89/08/84/873890884.db2.gz CPKUMEKHAKDKFR-HUUCEWRRSA-N 0 0 401.507 4.116 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000461035914 873897684 /nfs/dbraw/zinc/89/76/84/873897684.db2.gz DCAORLBZXOWKIS-QRWLVFNGSA-N 0 0 412.511 4.286 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)c2ccccc21 ZINC000461048632 873919169 /nfs/dbraw/zinc/91/91/69/873919169.db2.gz IKGLKFDQQGOTNK-CRAIPNDOSA-N 0 0 405.458 4.288 20 5 HIBDRN C[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)c2ccccc21 ZINC000461048635 873919279 /nfs/dbraw/zinc/91/92/79/873919279.db2.gz IKGLKFDQQGOTNK-YJBOKZPZSA-N 0 0 405.458 4.288 20 5 HIBDRN CCC(CC)(CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000461049937 873920976 /nfs/dbraw/zinc/92/09/76/873920976.db2.gz CRGYPUCYHVTDPP-UHFFFAOYSA-N 0 0 400.475 4.029 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N(CC3CC3)CC3CCC3)n2C[C@@H]2CCCO2)cc1 ZINC000461056228 873930317 /nfs/dbraw/zinc/93/03/17/873930317.db2.gz WIWGVMXLGSGHIG-FQEVSTJZSA-N 0 0 411.506 4.049 20 5 HIBDRN CC(C)CN(C(=O)[C@@H]1C[C@]12CCOC2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000461103111 874023720 /nfs/dbraw/zinc/02/37/20/874023720.db2.gz XTBFLZACKDAPMH-YWZLYKJASA-N 0 0 401.488 4.134 20 5 HIBDRN CC(=O)c1cc(F)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(F)c1F ZINC000461104880 874026046 /nfs/dbraw/zinc/02/60/46/874026046.db2.gz BHOSQDMRGIFCED-UHFFFAOYSA-N 0 0 417.137 4.230 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000461110537 874033472 /nfs/dbraw/zinc/03/34/72/874033472.db2.gz FPZRQNYLFYFISU-FQEVSTJZSA-N 0 0 403.866 4.097 20 5 HIBDRN CC(C)CCc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@H]1CCCO1 ZINC000461127196 874059033 /nfs/dbraw/zinc/05/90/33/874059033.db2.gz KGXOIUJCNKJPSH-HXUWFJFHSA-N 0 0 413.522 4.123 20 5 HIBDRN C[C@@H]1c2ccccc2CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 ZINC000461149528 874095667 /nfs/dbraw/zinc/09/56/67/874095667.db2.gz GLQZTKICBKGBBR-DNVCBOLYSA-N 0 0 405.458 4.114 20 5 HIBDRN CCSCC[C@@H](C)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000461152452 874101913 /nfs/dbraw/zinc/10/19/13/874101913.db2.gz HWRZAMVTTLWTLN-QAPCUYQASA-N 0 0 419.551 4.000 20 5 HIBDRN CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C2)cc1 ZINC000461156679 874111933 /nfs/dbraw/zinc/11/19/33/874111933.db2.gz KKSBVFSNEARXGD-SFHVURJKSA-N 0 0 419.485 4.004 20 5 HIBDRN Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2C[C@@H]2CCCO2)o1 ZINC000461178625 874158621 /nfs/dbraw/zinc/15/86/21/874158621.db2.gz JMUXIODSSNVQOZ-IBGZPJMESA-N 0 0 423.473 4.103 20 5 HIBDRN Cc1ccc(-c2nnc(N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2C[C@@H]2CCCO2)o1 ZINC000461178230 874159229 /nfs/dbraw/zinc/15/92/29/874159229.db2.gz IHBUVMFLTJGALQ-IBGZPJMESA-N 0 0 423.473 4.103 20 5 HIBDRN Nc1c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cc(F)cc1[N+](=O)[O-] ZINC000461193483 874190913 /nfs/dbraw/zinc/19/09/13/874190913.db2.gz KREGGSZEUVAPPP-UHFFFAOYSA-N 0 0 411.355 4.187 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])nn1C1CCCCC1 ZINC000461194474 874191240 /nfs/dbraw/zinc/19/12/40/874191240.db2.gz UPVFILRILJCKQZ-CYBMUJFWSA-N 0 0 406.870 4.664 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CC3(CCC3(F)F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000461271831 874281769 /nfs/dbraw/zinc/28/17/69/874281769.db2.gz WAZNSFCDTYKYCW-ZDUSSCGKSA-N 0 0 402.401 4.034 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461382165 874387917 /nfs/dbraw/zinc/38/79/17/874387917.db2.gz AKJPARROBCLQMN-HUUCEWRRSA-N 0 0 407.253 4.426 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461408815 874422786 /nfs/dbraw/zinc/42/27/86/874422786.db2.gz PHMUXUJTZHYATG-CABCVRRESA-N 0 0 407.253 4.426 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461408601 874422991 /nfs/dbraw/zinc/42/29/91/874422991.db2.gz AIZPLZMZBYWXNI-JKSUJKDBSA-N 0 0 407.253 4.426 20 5 HIBDRN O=C(c1cc2ccc(C(F)(F)F)cc2[nH]1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461409711 874425319 /nfs/dbraw/zinc/42/53/19/874425319.db2.gz FQDTYWPMMOUDGE-UHFFFAOYSA-N 0 0 405.332 4.130 20 5 HIBDRN Cc1sc(CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)nc1-c1ccccc1 ZINC000461479227 874538216 /nfs/dbraw/zinc/53/82/16/874538216.db2.gz BOMVSUYDFIPVPT-UHFFFAOYSA-N 0 0 406.467 4.481 20 5 HIBDRN CO[C@H](C)CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1)C(C)C ZINC000461494125 874563845 /nfs/dbraw/zinc/56/38/45/874563845.db2.gz CSRNMMILKGFYNP-OAHLLOKOSA-N 0 0 415.519 4.213 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1csc(CNC(=O)c2ccccc2)n1 ZINC000468746358 882840762 /nfs/dbraw/zinc/84/07/62/882840762.db2.gz GZIKWPOQKPLSOU-MHWRWJLKSA-N 0 0 422.510 4.174 20 5 HIBDRN C[C@@H]1SCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)[C@H]1C ZINC000461502713 874577520 /nfs/dbraw/zinc/57/75/20/874577520.db2.gz LUXQMBVPBSOELZ-KBPBESRZSA-N 0 0 415.544 4.293 20 5 HIBDRN CC(C)CCc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C[C@@H]1CCOC1 ZINC000461518633 874598666 /nfs/dbraw/zinc/59/86/66/874598666.db2.gz DCFMEPCLIONFFR-IBGZPJMESA-N 0 0 415.538 4.226 20 5 HIBDRN CCO[C@H]1C[C@H](NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C12CCCCC2 ZINC000461541747 874628451 /nfs/dbraw/zinc/62/84/51/874628451.db2.gz GFVHGLGHDKNIGE-OALUTQOASA-N 0 0 422.547 4.081 20 5 HIBDRN CCN(Cc1ccccc1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 ZINC000461558725 874650920 /nfs/dbraw/zinc/65/09/20/874650920.db2.gz JCURPGOQALVQBS-SFHVURJKSA-N 0 0 421.501 4.225 20 5 HIBDRN C[C@@H](c1ccccc1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 ZINC000461564358 874660968 /nfs/dbraw/zinc/66/09/68/874660968.db2.gz QAMNZWZGZVZWQU-DLBZAZTESA-N 0 0 407.474 4.087 20 5 HIBDRN CCCCCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1)C(C)C ZINC000461581320 874688039 /nfs/dbraw/zinc/68/80/39/874688039.db2.gz TWVCBIZWRAQZBN-QGZVFWFLSA-N 0 0 401.511 4.295 20 5 HIBDRN C[C@@H](c1ccccc1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461582271 874691329 /nfs/dbraw/zinc/69/13/29/874691329.db2.gz VFLALNOYUSDOLQ-IRXDYDNUSA-N 0 0 407.474 4.087 20 5 HIBDRN CCCCN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000468782073 882857328 /nfs/dbraw/zinc/85/73/28/882857328.db2.gz BPBGPLLRCURKCY-MRXNPFEDSA-N 0 0 423.469 4.252 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000461639741 874797636 /nfs/dbraw/zinc/79/76/36/874797636.db2.gz JJYJLLAIQLKWKJ-MRXNPFEDSA-N 0 0 412.833 4.324 20 5 HIBDRN Cc1cc(C)cc(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)c1 ZINC000461639851 874798352 /nfs/dbraw/zinc/79/83/52/874798352.db2.gz KTFAWIRFSULYGZ-QGZVFWFLSA-N 0 0 407.474 4.275 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3C3CCC3)n2C[C@H]2CCCCO2)c1 ZINC000461654966 874809328 /nfs/dbraw/zinc/80/93/28/874809328.db2.gz CSHZUUCJRJMNQG-UXHICEINSA-N 0 0 411.506 4.191 20 5 HIBDRN COc1cc(CNc2ccc3c(C)nn(C)c3c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000461747143 874888255 /nfs/dbraw/zinc/88/82/55/874888255.db2.gz 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Cc1cc(N2CCC(Nc3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)nc(C)n1 ZINC000461937507 875071977 /nfs/dbraw/zinc/07/19/77/875071977.db2.gz UGKAGWALLLNFDC-UHFFFAOYSA-N 0 0 409.412 4.410 20 5 HIBDRN C[C@H](c1ccsc1)N1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000462224835 875333328 /nfs/dbraw/zinc/33/33/28/875333328.db2.gz UGIUENIPNUIUTO-QGZVFWFLSA-N 0 0 416.547 4.067 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000462244315 875361053 /nfs/dbraw/zinc/36/10/53/875361053.db2.gz FJDIANVWFYDXRU-DYVFJYSZSA-N 0 0 407.373 4.238 20 5 HIBDRN CCN(c1ccccc1OC)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462261634 875385397 /nfs/dbraw/zinc/38/53/97/875385397.db2.gz JOPNXBREANHFNF-UHFFFAOYSA-N 0 0 405.259 4.125 20 5 HIBDRN C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462272260 875399734 /nfs/dbraw/zinc/39/97/34/875399734.db2.gz CDQMVFXKHOULGD-SNVBAGLBSA-N 0 0 401.271 4.289 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1 ZINC000462371600 875484446 /nfs/dbraw/zinc/48/44/46/875484446.db2.gz VUZGFOKKGPEKQB-FOWTUZBSSA-N 0 0 419.437 4.204 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](O)COc2cccc(Cl)c2Cl)cc1OC(F)F ZINC000462387267 875498080 /nfs/dbraw/zinc/49/80/80/875498080.db2.gz FWPORPMQAINBCP-JTQLQIEISA-N 0 0 423.199 4.355 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CCCCC23CCCC3)cc1[N+](=O)[O-] ZINC000462418817 875524553 /nfs/dbraw/zinc/52/45/53/875524553.db2.gz QLNPDKZNEZNZGG-KRWDZBQOSA-N 0 0 415.519 4.107 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C)c1C(=O)N1CCCC1 ZINC000462418731 875525322 /nfs/dbraw/zinc/52/53/22/875525322.db2.gz HUZYSXDWEPWFNM-GOSISDBHSA-N 0 0 409.486 4.347 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCc2c(F)cc(F)cc21 ZINC000462425262 875530686 /nfs/dbraw/zinc/53/06/86/875530686.db2.gz DGRPDYCWRAUPGA-UHFFFAOYSA-N 0 0 423.224 4.321 20 5 HIBDRN CCc1ccccc1NC(=O)CN(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462431464 875536655 /nfs/dbraw/zinc/53/66/55/875536655.db2.gz XHJZDHDXFCNTAQ-UHFFFAOYSA-N 0 0 420.469 4.206 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCOC)c1nc2ccccc2s1 ZINC000462433907 875541225 /nfs/dbraw/zinc/54/12/25/875541225.db2.gz AUJCPBYXQNOJAZ-INIZCTEOSA-N 0 0 413.499 4.453 20 5 HIBDRN Cc1cc(NC(=O)CCc2cncc3ccccc32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462438614 875544012 /nfs/dbraw/zinc/54/40/12/875544012.db2.gz DKSZREGLHQZXOZ-UHFFFAOYSA-N 0 0 401.426 4.208 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000462447468 875553949 /nfs/dbraw/zinc/55/39/49/875553949.db2.gz OIWTYBXOQXXGGO-UONOGXRCSA-N 0 0 422.938 4.016 20 5 HIBDRN COc1ccc([C@H](C)N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462452261 875558975 /nfs/dbraw/zinc/55/89/75/875558975.db2.gz NMXBHJLAOMHQAI-JTQLQIEISA-N 0 0 419.286 4.292 20 5 HIBDRN CN([C@H]1CCc2ccccc21)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462458931 875565804 /nfs/dbraw/zinc/56/58/04/875565804.db2.gz XDLLGUHHQBSKPM-AWEZNQCLSA-N 0 0 401.271 4.210 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2noc(C)n2)cc1 ZINC000462492865 875604028 /nfs/dbraw/zinc/60/40/28/875604028.db2.gz VTQXHVCJEFQBSL-INIZCTEOSA-N 0 0 410.430 4.073 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c([N+](=O)[O-])c1 ZINC000462493145 875604194 /nfs/dbraw/zinc/60/41/94/875604194.db2.gz XXKXJPMMUFJENO-CQSZACIVSA-N 0 0 409.533 4.051 20 5 HIBDRN Cc1ccccc1C1CC(N(C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000462492408 875604266 /nfs/dbraw/zinc/60/42/66/875604266.db2.gz VYPIQCCNDPLVPP-UHFFFAOYSA-N 0 0 400.500 4.311 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000462492928 875604300 /nfs/dbraw/zinc/60/43/00/875604300.db2.gz HGSVTKNOXQPDJZ-HTAPYJJXSA-N 0 0 424.476 4.284 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)nn(C)c1Oc1cccnc1 ZINC000462494453 875606818 /nfs/dbraw/zinc/60/68/18/875606818.db2.gz MENUAGXKPXZJQF-MRXNPFEDSA-N 0 0 409.446 4.031 20 5 HIBDRN CCc1noc(-c2ccc(CCNC(=O)[C@@H](CC)Cc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000462493932 875607001 /nfs/dbraw/zinc/60/70/01/875607001.db2.gz YQUPVJARKCKWEN-SFHVURJKSA-N 0 0 422.485 4.135 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 ZINC000462495271 875608866 /nfs/dbraw/zinc/60/88/66/875608866.db2.gz KKEFATMMJVZAJB-IEBWSBKVSA-N 0 0 411.502 4.195 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C ZINC000462503088 875618071 /nfs/dbraw/zinc/61/80/71/875618071.db2.gz IVQBUQLMYHBTBW-GOSISDBHSA-N 0 0 411.502 4.496 20 5 HIBDRN Cc1ccccc1C1CC(N(C2CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000462504908 875620262 /nfs/dbraw/zinc/62/02/62/875620262.db2.gz SVYPXRXNFVXNDG-UHFFFAOYSA-N 0 0 400.500 4.311 20 5 HIBDRN COc1cc(Cc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)c([N+](=O)[O-])c(OC)c1 ZINC000462505965 875622889 /nfs/dbraw/zinc/62/28/89/875622889.db2.gz RNRHAEXCWLCNOX-SNVBAGLBSA-N 0 0 415.471 4.038 20 5 HIBDRN 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ZINC000462951349 875969998 /nfs/dbraw/zinc/96/99/98/875969998.db2.gz FYKSOPKZWSXACN-UHFFFAOYSA-N 0 0 405.458 4.111 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@](CO)(c2ccccc2)C1 ZINC000462983723 875995473 /nfs/dbraw/zinc/99/54/73/875995473.db2.gz ASKKKPYPMKSPTB-DEOSSOPVSA-N 0 0 418.449 4.163 20 5 HIBDRN CNc1c(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000462989007 876003996 /nfs/dbraw/zinc/00/39/96/876003996.db2.gz IXAMZQWZORYZDY-MRXNPFEDSA-N 0 0 410.257 4.157 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCOc1cccc2cccnc21 ZINC000462998429 876012697 /nfs/dbraw/zinc/01/26/97/876012697.db2.gz WEBPSUJYUSGQBU-SFHVURJKSA-N 0 0 407.470 4.297 20 5 HIBDRN CC(C)[C@@H]1CN(c2nc(N3CCS[C@@H](C(C)C)C3)sc2[N+](=O)[O-])CCS1 ZINC000463010090 876025191 /nfs/dbraw/zinc/02/51/91/876025191.db2.gz JOFUPQAVISLLJN-UONOGXRCSA-N 0 0 416.638 4.207 20 5 HIBDRN COCC[C@H]1COCCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000463026667 876045028 /nfs/dbraw/zinc/04/50/28/876045028.db2.gz BBNOQZVPYGRTOO-INIZCTEOSA-N 0 0 406.866 4.278 20 5 HIBDRN Cc1cnc(N2CCC[C@@H]2c2ccccc2I)c([N+](=O)[O-])c1 ZINC000463051773 876078536 /nfs/dbraw/zinc/07/85/36/876078536.db2.gz CFWMHAZTBUTVKL-CQSZACIVSA-N 0 0 409.227 4.244 20 5 HIBDRN COc1cc(C)c(Br)cc1NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000463053260 876081459 /nfs/dbraw/zinc/08/14/59/876081459.db2.gz IBWFOGIYMWZSQI-UHFFFAOYSA-N 0 0 411.252 4.304 20 5 HIBDRN Cc1cnc(Nc2ccc(CCn3cc(Br)cn3)cc2)c([N+](=O)[O-])c1 ZINC000463058812 876086870 /nfs/dbraw/zinc/08/68/70/876086870.db2.gz WKVKRYWTLRZTGR-UHFFFAOYSA-N 0 0 402.252 4.244 20 5 HIBDRN COc1cc(S(=O)(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000468930860 882995105 /nfs/dbraw/zinc/99/51/05/882995105.db2.gz MQSRBIBJEMBRDN-LLVKDONJSA-N 0 0 418.393 4.004 20 5 HIBDRN O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000463129302 876175754 /nfs/dbraw/zinc/17/57/54/876175754.db2.gz IFKPBRKGJJCBRZ-UHFFFAOYSA-N 0 0 414.421 4.055 20 5 HIBDRN CCc1c(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cnn1-c1ccc(F)cc1 ZINC000463131797 876179121 /nfs/dbraw/zinc/17/91/21/876179121.db2.gz PLCXERFQFPGHQW-UHFFFAOYSA-N 0 0 405.389 4.283 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(OC)c1OC(F)F ZINC000463138242 876188349 /nfs/dbraw/zinc/18/83/49/876188349.db2.gz CBPUKUBBRJZJMJ-UHFFFAOYSA-N 0 0 424.400 4.264 20 5 HIBDRN CN(CC(=O)N(C)c1ccc(Br)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000463141757 876193251 /nfs/dbraw/zinc/19/32/51/876193251.db2.gz ZNCWSUOBGZZHEI-UHFFFAOYSA-N 0 0 412.671 4.110 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C/C=C/c2ccccc2)CC1 ZINC000463221349 876280846 /nfs/dbraw/zinc/28/08/46/876280846.db2.gz UOJIYXHCQVSGBY-QPJJXVBHSA-N 0 0 419.403 4.085 20 5 HIBDRN O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000463279050 876335445 /nfs/dbraw/zinc/33/54/45/876335445.db2.gz OTFKWOBNEIUMSB-UHFFFAOYSA-N 0 0 403.316 4.472 20 5 HIBDRN C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463312651 876371972 /nfs/dbraw/zinc/37/19/72/876371972.db2.gz DKLDRUQWKWOKOY-NSHDSACASA-N 0 0 410.348 4.093 20 5 HIBDRN CN(CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000463337395 876392821 /nfs/dbraw/zinc/39/28/21/876392821.db2.gz YYGOHFWUEXKPEE-UHFFFAOYSA-N 0 0 401.426 4.213 20 5 HIBDRN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463351832 876404936 /nfs/dbraw/zinc/40/49/36/876404936.db2.gz OCJCPRXLCRETOM-CYBMUJFWSA-N 0 0 421.375 4.105 20 5 HIBDRN O=C(NCc1ccccc1OC(F)(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463362670 876417821 /nfs/dbraw/zinc/41/78/21/876417821.db2.gz SLIRRZLUTINQFU-UHFFFAOYSA-N 0 0 408.254 4.442 20 5 HIBDRN COC(=O)c1cc2cc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2o1 ZINC000463386749 876441739 /nfs/dbraw/zinc/44/17/39/876441739.db2.gz YDXVKGLEUPEWPV-UHFFFAOYSA-N 0 0 408.288 4.399 20 5 HIBDRN Cc1c(CNC(=O)N(C)CCc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000463403948 876457882 /nfs/dbraw/zinc/45/78/82/876457882.db2.gz JKMQTGFQTQQKMJ-UHFFFAOYSA-N 0 0 406.280 4.050 20 5 HIBDRN COc1cc(CSc2nnc(-c3ccncc3)n2C2CC2)c([N+](=O)[O-])cc1F ZINC000463412993 876467037 /nfs/dbraw/zinc/46/70/37/876467037.db2.gz WXQMEGDJQSVDAJ-UHFFFAOYSA-N 0 0 401.423 4.023 20 5 HIBDRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000463417272 876471768 /nfs/dbraw/zinc/47/17/68/876471768.db2.gz XGKUHJYURRIQFN-UHFFFAOYSA-N 0 0 421.482 4.035 20 5 HIBDRN COc1cc(CSc2nnc(C)n2CCc2cccs2)c([N+](=O)[O-])cc1F ZINC000463431740 876487560 /nfs/dbraw/zinc/48/75/60/876487560.db2.gz UDGBSFGMJRXWJE-UHFFFAOYSA-N 0 0 408.480 4.239 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(F)c1Cl)c1ccccc1[N+](=O)[O-] ZINC000463443469 876501233 /nfs/dbraw/zinc/50/12/33/876501233.db2.gz OIKDJLFREOUDHY-OAHLLOKOSA-N 0 0 408.813 4.200 20 5 HIBDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000468969037 883035986 /nfs/dbraw/zinc/03/59/86/883035986.db2.gz MADVQHZKFGZKEP-UHFFFAOYSA-N 0 0 400.385 4.032 20 5 HIBDRN CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463494721 876553624 /nfs/dbraw/zinc/55/36/24/876553624.db2.gz AIVQGIMXOWBORN-UHFFFAOYSA-N 0 0 406.364 4.195 20 5 HIBDRN Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)ccc12 ZINC000468977588 883044393 /nfs/dbraw/zinc/04/43/93/883044393.db2.gz LEUWSCAUGMWODZ-UHFFFAOYSA-N 0 0 424.420 4.438 20 5 HIBDRN CCCN(CCc1cccs1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000463543014 876623008 /nfs/dbraw/zinc/62/30/08/876623008.db2.gz KEZRWRFTYNZSGY-UHFFFAOYSA-N 0 0 411.321 4.443 20 5 HIBDRN CCn1c(Sc2ccnc(Cc3ccccc3)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000463661148 876782511 /nfs/dbraw/zinc/78/25/11/876782511.db2.gz PGXDSYUNTTZRPX-UHFFFAOYSA-N 0 0 418.482 4.405 20 5 HIBDRN CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463692408 876812995 /nfs/dbraw/zinc/81/29/95/876812995.db2.gz FHITVPUPTVYSLN-UHFFFAOYSA-N 0 0 411.892 4.069 20 5 HIBDRN COc1ccc(C)cc1-c1csc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000463748602 876871462 /nfs/dbraw/zinc/87/14/62/876871462.db2.gz WMKZOTGZWNYDCI-UHFFFAOYSA-N 0 0 412.471 4.110 20 5 HIBDRN Cc1nn(CCC(=O)NCC(Cc2ccccc2)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000463837751 876959408 /nfs/dbraw/zinc/95/94/08/876959408.db2.gz PJCSFXBHENFBJY-UHFFFAOYSA-N 0 0 420.513 4.016 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000463862656 876984289 /nfs/dbraw/zinc/98/42/89/876984289.db2.gz ZRLWBMZKBSJYST-MRXNPFEDSA-N 0 0 414.767 4.481 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469018068 883086845 /nfs/dbraw/zinc/08/68/45/883086845.db2.gz OVKWAWSHLFRDAC-LBPRGKRZSA-N 0 0 410.804 4.311 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000463955436 877077852 /nfs/dbraw/zinc/07/78/52/877077852.db2.gz OIIPJVLQIPFACB-CYBMUJFWSA-N 0 0 411.384 4.296 20 5 HIBDRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000463957853 877081215 /nfs/dbraw/zinc/08/12/15/877081215.db2.gz HJAFWVASRLNFFU-LJQANCHMSA-N 0 0 413.474 4.433 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000463960222 877084477 /nfs/dbraw/zinc/08/44/77/877084477.db2.gz VATBVKZWCLEFPZ-UHFFFAOYSA-N 0 0 410.474 4.159 20 5 HIBDRN Cn1ccnc1SCc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000469028070 883096639 /nfs/dbraw/zinc/09/66/39/883096639.db2.gz POAKYQPKPJRWEC-UHFFFAOYSA-N 0 0 416.890 4.204 20 5 HIBDRN Cc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)nn1-c1c(F)cccc1F ZINC000469028800 883096886 /nfs/dbraw/zinc/09/68/86/883096886.db2.gz PYRTXVHCVCFAKL-UHFFFAOYSA-N 0 0 400.385 4.032 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc([S@](C)=O)cc3)cc2[N+](=O)[O-])C1 ZINC000464007019 877143398 /nfs/dbraw/zinc/14/33/98/877143398.db2.gz OSESKRDHMJFJBM-YSVMAZNTSA-N 0 0 415.515 4.067 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000464019886 877154164 /nfs/dbraw/zinc/15/41/64/877154164.db2.gz LFGJOTKKEXHCJE-DIFFPNOSSA-N 0 0 412.339 4.355 20 5 HIBDRN CCOC(=O)c1ccnc(N[C@@H](C)c2ccc(Br)cc2OC)c1[N+](=O)[O-] ZINC000469033734 883102301 /nfs/dbraw/zinc/10/23/01/883102301.db2.gz SNUDAAOQHRRXEC-JTQLQIEISA-N 0 0 424.251 4.111 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000464031996 877167548 /nfs/dbraw/zinc/16/75/48/877167548.db2.gz OVDSVQCTIHHPRX-INIZCTEOSA-N 0 0 418.453 4.090 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000464049115 877192227 /nfs/dbraw/zinc/19/22/27/877192227.db2.gz JKEIGJGFPZUCGU-NSHDSACASA-N 0 0 424.284 4.377 20 5 HIBDRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000464053369 877197330 /nfs/dbraw/zinc/19/73/30/877197330.db2.gz ZZMGTASLFPTKQW-VXKWHMMOSA-N 0 0 404.470 4.497 20 5 HIBDRN CCc1cnc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)s1 ZINC000464104496 877261211 /nfs/dbraw/zinc/26/12/11/877261211.db2.gz FPSKBDYQXRDGBX-UHFFFAOYSA-N 0 0 424.482 4.163 20 5 HIBDRN COC(=O)COc1ccc([C@@H](C)NC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000469045844 883116356 /nfs/dbraw/zinc/11/63/56/883116356.db2.gz PXIWIACZJWSSSJ-MRXNPFEDSA-N 0 0 414.461 4.431 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000464242003 877419426 /nfs/dbraw/zinc/41/94/26/877419426.db2.gz MHOTVAHJPUROMH-MRXNPFEDSA-N 0 0 412.446 4.368 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(OC(C)C)c(OC)c2)cc1[N+](=O)[O-] ZINC000464257144 877435171 /nfs/dbraw/zinc/43/51/71/877435171.db2.gz FHYZCZWDMRMANA-UHFFFAOYSA-N 0 0 420.487 4.271 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464272838 877457590 /nfs/dbraw/zinc/45/75/90/877457590.db2.gz DOROPUZSPUJTOI-YPMHNXCESA-N 0 0 408.886 4.153 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(-c2cccnc2)c1 ZINC000464303720 877492380 /nfs/dbraw/zinc/49/23/80/877492380.db2.gz HTCFBZIJVUVKIL-UHFFFAOYSA-N 0 0 404.470 4.479 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000464315376 877506444 /nfs/dbraw/zinc/50/64/44/877506444.db2.gz WXYPFEJCRBEBOD-OAHLLOKOSA-N 0 0 410.257 4.344 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000464333779 877524378 /nfs/dbraw/zinc/52/43/78/877524378.db2.gz KFXLISZDJYKLCV-MRXNPFEDSA-N 0 0 408.483 4.035 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CCc3cccs3)cc2[N+](=O)[O-])C1 ZINC000464347555 877539181 /nfs/dbraw/zinc/53/91/81/877539181.db2.gz BLPGLDDAJVPPHP-HZPDHXFCSA-N 0 0 401.532 4.453 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](CSc2ccccc2)C1 ZINC000464354885 877549065 /nfs/dbraw/zinc/54/90/65/877549065.db2.gz QQMXVUZKKXBQOJ-CQSZACIVSA-N 0 0 409.467 4.103 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C ZINC000503276117 912259259 /nfs/dbraw/zinc/25/92/59/912259259.db2.gz PQDNHGYSNPJMLL-GOSISDBHSA-N 0 0 419.865 4.051 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000464458830 877679519 /nfs/dbraw/zinc/67/95/19/877679519.db2.gz JSKVASBENWYNIV-JTQLQIEISA-N 0 0 401.216 4.078 20 5 HIBDRN COc1cc(CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000464484246 877702525 /nfs/dbraw/zinc/70/25/25/877702525.db2.gz BMAFHFVXFNGEOI-OAHLLOKOSA-N 0 0 417.485 4.288 20 5 HIBDRN COc1cc(CN[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c([N+](=O)[O-])cc1F ZINC000464495110 877714881 /nfs/dbraw/zinc/71/48/81/877714881.db2.gz QUYURLCNMSEVSX-NSHDSACASA-N 0 0 404.373 4.091 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)cc2[N+](=O)[O-])C1 ZINC000464506173 877730467 /nfs/dbraw/zinc/73/04/67/877730467.db2.gz CQUIHQNJEGBXNF-OKILXGFUSA-N 0 0 413.440 4.492 20 5 HIBDRN CN(Cc1nccn1C)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000464516586 877738161 /nfs/dbraw/zinc/73/81/61/877738161.db2.gz DVOHNRKXYGHTJZ-UHFFFAOYSA-N 0 0 416.890 4.405 20 5 HIBDRN O=C(NCCn1ccnc1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000464545330 877760569 /nfs/dbraw/zinc/76/05/69/877760569.db2.gz PVTKRCMPBICNNN-UHFFFAOYSA-N 0 0 402.863 4.026 20 5 HIBDRN Cc1cccc([C@@H]2CCCCN2C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000464588113 877813607 /nfs/dbraw/zinc/81/36/07/877813607.db2.gz UWIFWGOYCSLBHG-UWJYYQICSA-N 0 0 409.486 4.084 20 5 HIBDRN Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1C ZINC000464588996 877813930 /nfs/dbraw/zinc/81/39/30/877813930.db2.gz PUILOZVYJPXEOH-LJQANCHMSA-N 0 0 405.458 4.160 20 5 HIBDRN O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464628614 877846199 /nfs/dbraw/zinc/84/61/99/877846199.db2.gz OOQNLGQLLBGKEF-IAGOWNOFSA-N 0 0 400.397 4.333 20 5 HIBDRN O=C(c1cc(Br)ccc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464635575 877852894 /nfs/dbraw/zinc/85/28/94/877852894.db2.gz FESSVZHCDIEQQU-UHFFFAOYSA-N 0 0 423.238 4.180 20 5 HIBDRN CSc1ccc(O[C@@H](C)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464637932 877855528 /nfs/dbraw/zinc/85/55/28/877855528.db2.gz OSRZKRCZSRAREZ-HNNXBMFYSA-N 0 0 416.499 4.154 20 5 HIBDRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000464656574 877878037 /nfs/dbraw/zinc/87/80/37/877878037.db2.gz YKXRFURYWKMIFY-SFHVURJKSA-N 0 0 402.878 4.421 20 5 HIBDRN Cc1c(Br)cccc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464658949 877879940 /nfs/dbraw/zinc/87/99/40/877879940.db2.gz FDYIHJSDZQPBPK-UHFFFAOYSA-N 0 0 419.275 4.349 20 5 HIBDRN O=C([C@H]1C[C@H]1c1ccc(F)cc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464663340 877883685 /nfs/dbraw/zinc/88/36/85/877883685.db2.gz WNCIIGJSBFRRAW-OALUTQOASA-N 0 0 402.397 4.047 20 5 HIBDRN Cc1cc(O[C@H](C)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl ZINC000464668518 877888796 /nfs/dbraw/zinc/88/87/96/877888796.db2.gz MGTFLHSHWFCADX-OAHLLOKOSA-N 0 0 418.877 4.394 20 5 HIBDRN COc1cc(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000464683600 877898191 /nfs/dbraw/zinc/89/81/91/877898191.db2.gz NANMBSGVTNLUKD-NRFANRHFSA-N 0 0 409.417 4.212 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000464705628 877927142 /nfs/dbraw/zinc/92/71/42/877927142.db2.gz BIJZKMAIDJNZQA-UHFFFAOYSA-N 0 0 409.236 4.189 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000464717180 877944162 /nfs/dbraw/zinc/94/41/62/877944162.db2.gz ZPRNGPUQJLTRJX-PGRDOPGGSA-N 0 0 409.486 4.375 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1ccc2c(c1)OCCCO2 ZINC000464716689 877944664 /nfs/dbraw/zinc/94/46/64/877944664.db2.gz WGELMMRFSUOIQQ-UHFFFAOYSA-N 0 0 402.472 4.439 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000464723877 877953151 /nfs/dbraw/zinc/95/31/51/877953151.db2.gz OIEKZVPVXKGZEN-UHFFFAOYSA-N 0 0 401.426 4.203 20 5 HIBDRN CCOc1ccc(-c2noc(CCC(=O)Nc3cc([N+](=O)[O-])ccc3CC)n2)cc1 ZINC000464725346 877958548 /nfs/dbraw/zinc/95/85/48/877958548.db2.gz WRXODFRPEXROLS-UHFFFAOYSA-N 0 0 410.430 4.177 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464757648 877997149 /nfs/dbraw/zinc/99/71/49/877997149.db2.gz OUPQYPWWWVGIOM-HZPDHXFCSA-N 0 0 415.515 4.045 20 5 HIBDRN O=C(CN1CC[C@H](CSc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464762625 878004668 /nfs/dbraw/zinc/00/46/68/878004668.db2.gz LTVLHEKFUHSERT-AWEZNQCLSA-N 0 0 405.907 4.301 20 5 HIBDRN CSc1ccc(NC(=O)[C@@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464783018 878030391 /nfs/dbraw/zinc/03/03/91/878030391.db2.gz DYUUDEDPXHUJDY-OAHLLOKOSA-N 0 0 415.515 4.187 20 5 HIBDRN Cc1cc(C)c(NC(=O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1 ZINC000464784689 878031665 /nfs/dbraw/zinc/03/16/65/878031665.db2.gz GVYSZQMBKOKLAI-UHFFFAOYSA-N 0 0 417.893 4.347 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2ccccc12)N(Cc1ccco1)CC(F)(F)F ZINC000464794022 878039222 /nfs/dbraw/zinc/03/92/22/878039222.db2.gz LUXYCKNZGXRMCV-UHFFFAOYSA-N 0 0 408.332 4.311 20 5 HIBDRN CCO[C@H]1C[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C12CCCC2 ZINC000464881459 878174900 /nfs/dbraw/zinc/17/49/00/878174900.db2.gz SQTWJSJMLMLFCO-CVEARBPZSA-N 0 0 416.396 4.004 20 5 HIBDRN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000464996049 878349572 /nfs/dbraw/zinc/34/95/72/878349572.db2.gz IQUCANWGPQPTTP-CQSZACIVSA-N 0 0 402.447 4.028 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C)cc2O[C@@H](C)CC)cc1OC ZINC000464998179 878352712 /nfs/dbraw/zinc/35/27/12/878352712.db2.gz SAVCIAFBYSOIKG-HNNXBMFYSA-N 0 0 416.474 4.418 20 5 HIBDRN CCOc1cccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1OC(F)F ZINC000465019038 878381419 /nfs/dbraw/zinc/38/14/19/878381419.db2.gz PZVAKJLPKWOXFB-UHFFFAOYSA-N 0 0 421.400 4.099 20 5 HIBDRN Cc1ccc(OC(F)F)c(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000465023835 878387797 /nfs/dbraw/zinc/38/77/97/878387797.db2.gz PPBWBQMIMVBOLT-NSHDSACASA-N 0 0 414.792 4.242 20 5 HIBDRN O=C(NCCc1ccccc1OC(F)(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000465075501 878435792 /nfs/dbraw/zinc/43/57/92/878435792.db2.gz JSOIBCRPYAJECM-UHFFFAOYSA-N 0 0 422.281 4.485 20 5 HIBDRN COC(=O)c1cc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000465095939 878465819 /nfs/dbraw/zinc/46/58/19/878465819.db2.gz PUIAUDZSCJEKID-UHFFFAOYSA-N 0 0 414.433 4.148 20 5 HIBDRN CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465129187 878510954 /nfs/dbraw/zinc/51/09/54/878510954.db2.gz DNKZIULMMOHMLY-NRFANRHFSA-N 0 0 418.877 4.418 20 5 HIBDRN CC(C)c1nc2ccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2s1 ZINC000465169330 878553636 /nfs/dbraw/zinc/55/36/36/878553636.db2.gz LCMJCVQCFFMJFE-UHFFFAOYSA-N 0 0 413.455 4.280 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000503388879 912371648 /nfs/dbraw/zinc/37/16/48/912371648.db2.gz JXLUZOTYMXBRDJ-KBXCAEBGSA-N 0 0 413.499 4.021 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2nc3c(ccc(F)c3C)s2)cc([N+](=O)[O-])c1 ZINC000465260520 878687410 /nfs/dbraw/zinc/68/74/10/878687410.db2.gz JPFWJNOWOWQXSY-UHFFFAOYSA-N 0 0 403.391 4.081 20 5 HIBDRN COc1ccc(CNC(=O)N(Cc2cccc(F)c2)C2CCCC2)cc1[N+](=O)[O-] ZINC000465289428 878726532 /nfs/dbraw/zinc/72/65/32/878726532.db2.gz MNLDMXJXLYBILH-UHFFFAOYSA-N 0 0 401.438 4.397 20 5 HIBDRN CC[C@H]1C[C@H](C)CN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000465295965 878736449 /nfs/dbraw/zinc/73/64/49/878736449.db2.gz DRDUREBRWPMYPC-BBRMVZONSA-N 0 0 413.440 4.477 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000503399971 912378999 /nfs/dbraw/zinc/37/89/99/912378999.db2.gz YGRWZTNLXMDKLI-UHFFFAOYSA-N 0 0 416.503 4.120 20 5 HIBDRN CCCCCOc1cc(C)ccc1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000465304821 878749609 /nfs/dbraw/zinc/74/96/09/878749609.db2.gz GJJQYWJYRIASSK-UHFFFAOYSA-N 0 0 413.474 4.036 20 5 HIBDRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000503407067 912385898 /nfs/dbraw/zinc/38/58/98/912385898.db2.gz NHFODTPJUNMOPV-UHFFFAOYSA-N 0 0 416.231 4.251 20 5 HIBDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2CC)c([N+](=O)[O-])c1 ZINC000465389033 878828467 /nfs/dbraw/zinc/82/84/67/878828467.db2.gz PYTBDRVTJRBHTP-LTDCPUDJSA-N 0 0 401.507 4.212 20 5 HIBDRN CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2CC)cc1[N+](=O)[O-] ZINC000465389036 878829055 /nfs/dbraw/zinc/82/90/55/878829055.db2.gz PYTBDRVTJRBHTP-VVWQDTPRSA-N 0 0 401.507 4.212 20 5 HIBDRN CC[C@H](NC(=O)c1cc(C)ccc1I)c1cccc([N+](=O)[O-])c1 ZINC000465585204 879064942 /nfs/dbraw/zinc/06/49/42/879064942.db2.gz MHRIQHAGOXYKFV-INIZCTEOSA-N 0 0 424.238 4.389 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC000503423419 912414976 /nfs/dbraw/zinc/41/49/76/912414976.db2.gz SWWDLUKCVPSFER-UHFFFAOYSA-N 0 0 401.488 4.359 20 5 HIBDRN C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1 ZINC000465644253 879163236 /nfs/dbraw/zinc/16/32/36/879163236.db2.gz ZBNAQEHESNGRGA-OLZOCXBDSA-N 0 0 422.279 4.185 20 5 HIBDRN COc1ccc(Cl)cc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465682783 879229207 /nfs/dbraw/zinc/22/92/07/879229207.db2.gz MVNCLLNEHJELCO-UHFFFAOYSA-N 0 0 419.865 4.010 20 5 HIBDRN Cc1ccc(C[C@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000465875157 879527900 /nfs/dbraw/zinc/52/79/00/879527900.db2.gz SATXHOCVYVJWII-SFHVURJKSA-N 0 0 411.502 4.396 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000465983180 879655155 /nfs/dbraw/zinc/65/51/55/879655155.db2.gz RBPXULIIFQIQID-OAQYLSRUSA-N 0 0 411.502 4.166 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000465984915 879656875 /nfs/dbraw/zinc/65/68/75/879656875.db2.gz QGFNRLLAZRPUJA-PGRDOPGGSA-N 0 0 411.502 4.398 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000466151963 879857912 /nfs/dbraw/zinc/85/79/12/879857912.db2.gz CIAFLHIERTUTGQ-GOSISDBHSA-N 0 0 424.284 4.227 20 5 HIBDRN COCc1ccc([C@@H]2CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000466208056 879898535 /nfs/dbraw/zinc/89/85/35/879898535.db2.gz XKEXHNCCABUQSZ-IBGZPJMESA-N 0 0 401.463 4.204 20 5 HIBDRN Cc1ccc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000466224695 879922585 /nfs/dbraw/zinc/92/25/85/879922585.db2.gz GSHJHGQQJZALAN-UZLBHIALSA-N 0 0 413.474 4.021 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000466226837 879926987 /nfs/dbraw/zinc/92/69/87/879926987.db2.gz OGTLYGIHTWNQJA-LBPRGKRZSA-N 0 0 407.854 4.134 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000466252820 879973659 /nfs/dbraw/zinc/97/36/59/879973659.db2.gz DQBJKABAIYPVMJ-INIZCTEOSA-N 0 0 423.494 4.019 20 5 HIBDRN COc1ccc(C2(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])CCCCC2)cc1OC ZINC000466265158 879997781 /nfs/dbraw/zinc/99/77/81/879997781.db2.gz DTPCBCBDWMAGAN-UHFFFAOYSA-N 0 0 416.449 4.383 20 5 HIBDRN O=C(Cc1c[nH]c2cccc(Br)c12)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466270524 880006149 /nfs/dbraw/zinc/00/61/49/880006149.db2.gz LUMGCDLHDLQSLM-UHFFFAOYSA-N 0 0 422.666 4.351 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000466270491 880006317 /nfs/dbraw/zinc/00/63/17/880006317.db2.gz LJPNGQCVXCZMON-HUUCEWRRSA-N 0 0 409.667 4.431 20 5 HIBDRN Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1NC(=O)c1ccco1 ZINC000466282939 880023243 /nfs/dbraw/zinc/02/32/43/880023243.db2.gz KNIJHJDYZYAYSM-UHFFFAOYSA-N 0 0 413.817 4.332 20 5 HIBDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000466296259 880043172 /nfs/dbraw/zinc/04/31/72/880043172.db2.gz JRAGXODPXTUAGX-LLVKDONJSA-N 0 0 407.879 4.004 20 5 HIBDRN Cc1c(NC(=O)NC[C@@H](C)Oc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000466303421 880052467 /nfs/dbraw/zinc/05/24/67/880052467.db2.gz TULLEPJATARLIP-LLVKDONJSA-N 0 0 408.252 4.255 20 5 HIBDRN Cc1c(NC(=O)NC[C@H](C)Oc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000466303422 880052801 /nfs/dbraw/zinc/05/28/01/880052801.db2.gz TULLEPJATARLIP-NSHDSACASA-N 0 0 408.252 4.255 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000466318190 880072570 /nfs/dbraw/zinc/07/25/70/880072570.db2.gz BBKCIFCULGEMEG-SFHVURJKSA-N 0 0 406.841 4.265 20 5 HIBDRN C[C@H](C(=O)NCc1cc2cc(Br)ccc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000466334227 880089245 /nfs/dbraw/zinc/08/92/45/880089245.db2.gz ZEGYQRSMFLRCKX-JTQLQIEISA-N 0 0 420.238 4.398 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)cc1 ZINC000466394037 880156739 /nfs/dbraw/zinc/15/67/39/880156739.db2.gz ZMYFIUAIPOBYKK-UHFFFAOYSA-N 0 0 409.373 4.247 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)s2)cc1 ZINC000466407736 880174945 /nfs/dbraw/zinc/17/49/45/880174945.db2.gz QLPQHDFSXJGSJU-UHFFFAOYSA-N 0 0 423.450 4.120 20 5 HIBDRN COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])n2)c1 ZINC000466413116 880180886 /nfs/dbraw/zinc/18/08/86/880180886.db2.gz CBOCCNJESPGLPC-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cnc2ccccc2c1 ZINC000466429583 880205326 /nfs/dbraw/zinc/20/53/26/880205326.db2.gz AIQCPEXLPKLKMI-UHFFFAOYSA-N 0 0 413.455 4.110 20 5 HIBDRN COC(=O)COc1ccc([C@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000466486716 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QWCYXIXRHIYSJH-AWEZNQCLSA-N 0 0 409.442 4.049 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)[C@H]1C ZINC000470075055 884330848 /nfs/dbraw/zinc/33/08/48/884330848.db2.gz LCVKUXAEJVFARD-WMLDXEAASA-N 0 0 414.483 4.078 20 5 HIBDRN O=C(Nc1cc(F)ccc1OC(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000470108474 884367244 /nfs/dbraw/zinc/36/72/44/884367244.db2.gz YGXOFHGXRJOXAX-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000470138885 884404584 /nfs/dbraw/zinc/40/45/84/884404584.db2.gz UVPLIPASVUGDMX-XOBRGWDASA-N 0 0 417.437 4.181 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000470141998 884408187 /nfs/dbraw/zinc/40/81/87/884408187.db2.gz QJMXXMDTKXJRLZ-MRXNPFEDSA-N 0 0 413.327 4.358 20 5 HIBDRN Cn1ccc([C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)n1 ZINC000470145560 884412530 /nfs/dbraw/zinc/41/25/30/884412530.db2.gz WKIOHRKGOQYLBH-KRWDZBQOSA-N 0 0 403.801 4.032 20 5 HIBDRN CC[C@H]1CN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC[C@@H]1c1ccccc1 ZINC000470202353 884515029 /nfs/dbraw/zinc/51/50/29/884515029.db2.gz XPIIFAVMMVACTN-UWJYYQICSA-N 0 0 419.485 4.140 20 5 HIBDRN COc1cc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000503825610 912832487 /nfs/dbraw/zinc/83/24/87/912832487.db2.gz HITYYDVQFAKMJJ-SFHVURJKSA-N 0 0 411.845 4.366 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC[C@H]1c1ccccc1 ZINC000470202350 884515436 /nfs/dbraw/zinc/51/54/36/884515436.db2.gz XPIIFAVMMVACTN-DYESRHJHSA-N 0 0 419.485 4.140 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000503842222 912837619 /nfs/dbraw/zinc/83/76/19/912837619.db2.gz LUZHRYHTROUGIA-GOSISDBHSA-N 0 0 411.845 4.122 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000470267962 884618635 /nfs/dbraw/zinc/61/86/35/884618635.db2.gz UUSUHCNPXVUGRY-MSOLQXFVSA-N 0 0 419.275 4.316 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1[N+](=O)[O-] ZINC000503862455 912845593 /nfs/dbraw/zinc/84/55/93/912845593.db2.gz XNAOFEZNSIHKQX-INIZCTEOSA-N 0 0 413.865 4.204 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000503878912 912849668 /nfs/dbraw/zinc/84/96/68/912849668.db2.gz VPIZUHISGXCGKT-FQEVSTJZSA-N 0 0 411.845 4.122 20 5 HIBDRN Cc1c(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cnn1-c1cc(C)ccc1C ZINC000470396531 884802792 /nfs/dbraw/zinc/80/27/92/884802792.db2.gz FVJCLZMAUPIYPZ-UHFFFAOYSA-N 0 0 421.457 4.001 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1C(=O)N1CCCCC1 ZINC000470477099 884866384 /nfs/dbraw/zinc/86/63/84/884866384.db2.gz MRRMMWHAJMCWMX-UHFFFAOYSA-N 0 0 401.850 4.435 20 5 HIBDRN COc1ccc(-c2ccc(CNCc3nc4cc(C)ccc4n3C)o2)c([N+](=O)[O-])c1 ZINC000470535822 884937153 /nfs/dbraw/zinc/93/71/53/884937153.db2.gz BBYRFEKLKLNULK-UHFFFAOYSA-N 0 0 406.442 4.348 20 5 HIBDRN CCOc1ccc(C(=O)NCc2ccnc(Oc3ccccc3F)c2)cc1[N+](=O)[O-] ZINC000470554116 884966812 /nfs/dbraw/zinc/96/68/12/884966812.db2.gz VKKOTURAKARMMP-UHFFFAOYSA-N 0 0 411.389 4.250 20 5 HIBDRN Cc1cccc2nc(C3CCN(C(=O)NCCc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000470608618 885035205 /nfs/dbraw/zinc/03/52/05/885035205.db2.gz AIVDYXIUJTZJFI-UHFFFAOYSA-N 0 0 408.458 4.176 20 5 HIBDRN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000470618725 885042876 /nfs/dbraw/zinc/04/28/76/885042876.db2.gz LLRANDGCZKLUDL-ONGXEEELSA-N 0 0 413.318 4.215 20 5 HIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCCC2(CCC2)C1 ZINC000470682135 885113955 /nfs/dbraw/zinc/11/39/55/885113955.db2.gz IMDPSIAJVXNYAR-UHFFFAOYSA-N 0 0 409.273 4.494 20 5 HIBDRN CCC1(CC)CCCN(C(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])CC1 ZINC000470703021 885141548 /nfs/dbraw/zinc/14/15/48/885141548.db2.gz JFGFLMSMTIESTP-UHFFFAOYSA-N 0 0 408.495 4.061 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000470705252 885143738 /nfs/dbraw/zinc/14/37/38/885143738.db2.gz MYTBEHXIZAPMDR-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470714405 885154823 /nfs/dbraw/zinc/15/48/23/885154823.db2.gz ROXLPJMPMRKRGG-LBPRGKRZSA-N 0 0 421.240 4.071 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3ccnn3-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000470733258 885187839 /nfs/dbraw/zinc/18/78/39/885187839.db2.gz QIQPADQOAFCYND-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000470746883 885210833 /nfs/dbraw/zinc/21/08/33/885210833.db2.gz YENZIBQPQHHIEC-UHFFFAOYSA-N 0 0 421.457 4.231 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000470758111 885224713 /nfs/dbraw/zinc/22/47/13/885224713.db2.gz XWQBBYVCQBSAEO-PSTGCABASA-N 0 0 410.879 4.066 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1cccs1)CC(F)(F)F ZINC000470779486 885250717 /nfs/dbraw/zinc/25/07/17/885250717.db2.gz ARCCNVUPVZPFBT-UHFFFAOYSA-N 0 0 410.377 4.047 20 5 HIBDRN Cc1cccc(-n2c(SCc3c([N+](=O)[O-])ncn3C)nnc2-c2ccccc2)c1 ZINC000470824848 885312810 /nfs/dbraw/zinc/31/28/10/885312810.db2.gz AZVURTMOHSQYDF-UHFFFAOYSA-N 0 0 406.471 4.177 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000470835288 885326617 /nfs/dbraw/zinc/32/66/17/885326617.db2.gz GBBYRRJJIYEZIO-INIZCTEOSA-N 0 0 421.453 4.459 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000470843576 885339691 /nfs/dbraw/zinc/33/96/91/885339691.db2.gz YABMFQDSTLBRGP-JTQLQIEISA-N 0 0 418.247 4.338 20 5 HIBDRN CCCn1c(=O)c2c3c(sc2nc1Sc1cc(C)c([N+](=O)[O-])cn1)CCC3 ZINC000470857194 885352086 /nfs/dbraw/zinc/35/20/86/885352086.db2.gz BHHFWRKGJATXQI-UHFFFAOYSA-N 0 0 402.501 4.120 20 5 HIBDRN CCO[C@@H](CCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])C(C)C ZINC000470864151 885354226 /nfs/dbraw/zinc/35/42/26/885354226.db2.gz ZPQRCVYCEZKIPS-FQEVSTJZSA-N 0 0 421.519 4.259 20 5 HIBDRN CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470880094 885369858 /nfs/dbraw/zinc/36/98/58/885369858.db2.gz NBPNTLXHWSGJEX-INIZCTEOSA-N 0 0 422.485 4.385 20 5 HIBDRN O=C(c1csc(-c2ccccc2Cl)n1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470902043 885405452 /nfs/dbraw/zinc/40/54/52/885405452.db2.gz OWCCKNHFRSKZJQ-UHFFFAOYSA-N 0 0 415.858 4.275 20 5 HIBDRN CCc1ccc(C(=O)NCCCc2cc3c(cc(OC)cc3OC)[nH]2)cc1[N+](=O)[O-] ZINC000470915327 885422762 /nfs/dbraw/zinc/42/27/62/885422762.db2.gz YWXJZMMJEVCALA-UHFFFAOYSA-N 0 0 411.458 4.018 20 5 HIBDRN CN(C(=O)c1ccnn1-c1ccccc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000471095067 885624540 /nfs/dbraw/zinc/62/45/40/885624540.db2.gz JTFJFYSRJXWGLK-UHFFFAOYSA-N 0 0 405.439 4.181 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1c(CC)nn(-c2ccccc2)c1CC ZINC000471139174 885681334 /nfs/dbraw/zinc/68/13/34/885681334.db2.gz IHMVPCRRXUDWJK-UHFFFAOYSA-N 0 0 422.485 4.234 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Br)c(F)cc1F ZINC000471161305 885715551 /nfs/dbraw/zinc/71/55/51/885715551.db2.gz QGGCLXGKRYTQIF-UHFFFAOYSA-N 0 0 401.163 4.287 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000471223050 885797126 /nfs/dbraw/zinc/79/71/26/885797126.db2.gz OHLFSEGGASHQHQ-UHFFFAOYSA-N 0 0 404.348 4.072 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCSc2ccc(F)cc21 ZINC000471239500 885814519 /nfs/dbraw/zinc/81/45/19/885814519.db2.gz TZGMJQCGGJUCAT-UHFFFAOYSA-N 0 0 415.490 4.479 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)N(C)C)ccc1OC ZINC000504079798 912986567 /nfs/dbraw/zinc/98/65/67/912986567.db2.gz ZSYYUPCUFQCRFW-UHFFFAOYSA-N 0 0 417.487 4.060 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000471343774 885952172 /nfs/dbraw/zinc/95/21/72/885952172.db2.gz PMTAROZIHGUROW-LLVKDONJSA-N 0 0 401.423 4.444 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)cc(OC(C)C)c1 ZINC000471349780 885963034 /nfs/dbraw/zinc/96/30/34/885963034.db2.gz ZTDBMPGNYNDNJR-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN CCCOc1cc(NC(=O)c2cc(C(C)C)nn2C)c([N+](=O)[O-])cc1OCCC ZINC000471370415 886008619 /nfs/dbraw/zinc/00/86/19/886008619.db2.gz UXRKGWLDQFMQML-UHFFFAOYSA-N 0 0 404.467 4.282 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccn2)cc1 ZINC000471389358 886038182 /nfs/dbraw/zinc/03/81/82/886038182.db2.gz IRGHBCPGOHQPPO-HSZRJFAPSA-N 0 0 400.438 4.159 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000504092113 913001954 /nfs/dbraw/zinc/00/19/54/913001954.db2.gz MMRRPPPNOBHKAR-UHFFFAOYSA-N 0 0 401.366 4.469 20 5 HIBDRN CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000504090992 913002480 /nfs/dbraw/zinc/00/24/80/913002480.db2.gz QUUHVFNHBWIJLP-UHFFFAOYSA-N 0 0 402.451 4.247 20 5 HIBDRN CCc1ccc(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000471409948 886062460 /nfs/dbraw/zinc/06/24/60/886062460.db2.gz UINMCPRGZPKVIC-OAHLLOKOSA-N 0 0 415.877 4.033 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCCC[C@H]3c3cccn3C)cc2)c(C)c1[N+](=O)[O-] ZINC000471439501 886101156 /nfs/dbraw/zinc/10/11/56/886101156.db2.gz IEFUYVSIVCJLMH-NRFANRHFSA-N 0 0 421.501 4.162 20 5 HIBDRN CCC(CC)N(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1cccc(C)c1 ZINC000471459674 886139897 /nfs/dbraw/zinc/13/98/97/886139897.db2.gz NXANNZSECOTATB-UHFFFAOYSA-N 0 0 404.488 4.142 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000471487848 886187437 /nfs/dbraw/zinc/18/74/37/886187437.db2.gz JJHBGIFELBQJNR-UHFFFAOYSA-N 0 0 414.805 4.193 20 5 HIBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(-n2cccn2)c1 ZINC000471516178 886217060 /nfs/dbraw/zinc/21/70/60/886217060.db2.gz XXIGJJLQQZOZQT-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000471526710 886229302 /nfs/dbraw/zinc/22/93/02/886229302.db2.gz GZAGTTAGYXMAJZ-GOEBONIOSA-N 0 0 402.422 4.207 20 5 HIBDRN Cc1ccn(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c(=O)c1[N+](=O)[O-] ZINC000471527306 886230539 /nfs/dbraw/zinc/23/05/39/886230539.db2.gz QHZIOYSUXPRSHZ-UHFFFAOYSA-N 0 0 413.817 4.149 20 5 HIBDRN COc1ccc(Cc2nnc(Sc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1OC ZINC000471530101 886234859 /nfs/dbraw/zinc/23/48/59/886234859.db2.gz IOKVIZLFCPVYPL-UHFFFAOYSA-N 0 0 407.835 4.390 20 5 HIBDRN COc1ccc(C)nc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000471721396 886431202 /nfs/dbraw/zinc/43/12/02/886431202.db2.gz UISDDZACWKRDSI-UHFFFAOYSA-N 0 0 416.484 4.475 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000471873165 886653057 /nfs/dbraw/zinc/65/30/57/886653057.db2.gz BIPVRTLONCAOSK-LJQANCHMSA-N 0 0 417.874 4.020 20 5 HIBDRN CC(C)Oc1cc(Br)cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000471914501 886701832 /nfs/dbraw/zinc/70/18/32/886701832.db2.gz IMSWDROPQGAYGZ-UHFFFAOYSA-N 0 0 405.248 4.347 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471937685 886736662 /nfs/dbraw/zinc/73/66/62/886736662.db2.gz UILBIXKUWCRZBK-QFBILLFUSA-N 0 0 404.417 4.057 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000471982121 886809842 /nfs/dbraw/zinc/80/98/42/886809842.db2.gz ADTVPXIPSMFAPX-CHWSQXEVSA-N 0 0 413.409 4.214 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000471986213 886812830 /nfs/dbraw/zinc/81/28/30/886812830.db2.gz PYJWMEGZPMUHKG-KGLIPLIRSA-N 0 0 409.446 4.329 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC=C(c2c(F)cccc2F)CC1 ZINC000472008936 886832647 /nfs/dbraw/zinc/83/26/47/886832647.db2.gz LGFRUUQXZAZFCV-UHFFFAOYSA-N 0 0 410.323 4.404 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCSC[C@@H]1c1nccs1 ZINC000472083151 886883557 /nfs/dbraw/zinc/88/35/57/886883557.db2.gz KXVSCNSESDTYMG-GFCCVEGCSA-N 0 0 403.407 4.000 20 5 HIBDRN O=C(NCCc1ccccc1OC(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000472085036 886884587 /nfs/dbraw/zinc/88/45/87/886884587.db2.gz QYUGLCKASHOUHN-UHFFFAOYSA-N 0 0 405.401 4.113 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC1CCN(c2ccccc2)CC1 ZINC000472106713 886896076 /nfs/dbraw/zinc/89/60/76/886896076.db2.gz USFVSDCGYROXNK-UHFFFAOYSA-N 0 0 416.909 4.007 20 5 HIBDRN COCCC1(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CCC1 ZINC000472181841 886982997 /nfs/dbraw/zinc/98/29/97/886982997.db2.gz JPDIFIAVCBYGBA-IRXDYDNUSA-N 0 0 403.523 4.014 20 5 HIBDRN COc1ccc(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000472191049 886992949 /nfs/dbraw/zinc/99/29/49/886992949.db2.gz RFYIRHYFSKDWDV-UHFFFAOYSA-N 0 0 402.756 4.248 20 5 HIBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1-c1ccc(Cl)cc1Cl ZINC000472203834 887004016 /nfs/dbraw/zinc/00/40/16/887004016.db2.gz FIJGGJIQTDMRKG-UHFFFAOYSA-N 0 0 405.241 4.082 20 5 HIBDRN O=C(NCc1ccc2ncccc2c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000472243842 887053529 /nfs/dbraw/zinc/05/35/29/887053529.db2.gz XPXGXBASLCINEQ-UHFFFAOYSA-N 0 0 404.348 4.161 20 5 HIBDRN CN(CCn1cc([N+](=O)[O-])cn1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000472249783 887059292 /nfs/dbraw/zinc/05/92/92/887059292.db2.gz KXXTVKDQTNPCCB-UHFFFAOYSA-N 0 0 407.352 4.134 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000472286324 887103754 /nfs/dbraw/zinc/10/37/54/887103754.db2.gz MKXXCUDYFQXLPA-NRFANRHFSA-N 0 0 411.845 4.318 20 5 HIBDRN Cc1ccc(SC[C@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000472290811 887111161 /nfs/dbraw/zinc/11/11/61/887111161.db2.gz IURJQSFVVCVZPW-HNNXBMFYSA-N 0 0 410.499 4.214 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CCN(CC(F)(F)F)c4ccccc43)n2)c1 ZINC000472319264 887151865 /nfs/dbraw/zinc/15/18/65/887151865.db2.gz LZMPDEVZYHKPEG-UHFFFAOYSA-N 0 0 419.363 4.034 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)n2)cc1 ZINC000472371709 887210142 /nfs/dbraw/zinc/21/01/42/887210142.db2.gz DEXAICPBYKFHKO-LBPRGKRZSA-N 0 0 405.414 4.180 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)n2)cc1 ZINC000472402628 887251222 /nfs/dbraw/zinc/25/12/22/887251222.db2.gz KMQIWDGPTKPVLM-GFCCVEGCSA-N 0 0 412.471 4.420 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000472434385 887281170 /nfs/dbraw/zinc/28/11/70/887281170.db2.gz CNXIKSMEPKHUBM-AWEZNQCLSA-N 0 0 409.446 4.110 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000472434386 887281385 /nfs/dbraw/zinc/28/13/85/887281385.db2.gz CNXIKSMEPKHUBM-CQSZACIVSA-N 0 0 409.446 4.110 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CC[C@@]3(C2)OCc2ccccc23)nc1OCc1ccccc1 ZINC000472504316 887372615 /nfs/dbraw/zinc/37/26/15/887372615.db2.gz SSJXQORFIRVTGU-QHCPKHFHSA-N 0 0 403.438 4.205 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000472534022 887407819 /nfs/dbraw/zinc/40/78/19/887407819.db2.gz GPMBPDDSVSKFLS-ZDUSSCGKSA-N 0 0 412.421 4.247 20 5 HIBDRN Cc1nn(CCC(=O)N2CCCc3cc(-c4ccccc4)ccc32)c(C)c1[N+](=O)[O-] ZINC000472546621 887427544 /nfs/dbraw/zinc/42/75/44/887427544.db2.gz XVKQOMWHXPCBHP-UHFFFAOYSA-N 0 0 404.470 4.445 20 5 HIBDRN CCCc1ccc([C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000472569510 887455045 /nfs/dbraw/zinc/45/50/45/887455045.db2.gz ZASNCJHQLKIINV-LJQANCHMSA-N 0 0 401.438 4.138 20 5 HIBDRN CCCc1cccc(C(C)C)c1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000472682095 887536663 /nfs/dbraw/zinc/53/66/63/887536663.db2.gz HKAAGMQPLXTLBQ-UHFFFAOYSA-N 0 0 411.458 4.035 20 5 HIBDRN CCNc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1[N+](=O)[O-] ZINC000472690932 887545429 /nfs/dbraw/zinc/54/54/29/887545429.db2.gz XYLLUPRUXYYQBQ-GFCCVEGCSA-N 0 0 413.409 4.015 20 5 HIBDRN CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](COC)Cc1ccccc1 ZINC000472693181 887546465 /nfs/dbraw/zinc/54/64/65/887546465.db2.gz NFOQCMFMYZCUER-INIZCTEOSA-N 0 0 423.416 4.308 20 5 HIBDRN Cc1ccc(O[C@@H](C)C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(Br)c1 ZINC000504306052 913156390 /nfs/dbraw/zinc/15/63/90/913156390.db2.gz ZGNDOXRGHBQXIC-STQMWFEESA-N 0 0 419.275 4.411 20 5 HIBDRN CCC(=O)c1ccc(OCCCCc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)cc1 ZINC000472701284 887553265 /nfs/dbraw/zinc/55/32/65/887553265.db2.gz VADRXBSRSHNYEK-UHFFFAOYSA-N 0 0 410.430 4.221 20 5 HIBDRN COc1ccc(F)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1OC ZINC000472814026 887657367 /nfs/dbraw/zinc/65/73/67/887657367.db2.gz VQBYAXHEBJLOSX-UHFFFAOYSA-N 0 0 417.418 4.435 20 5 HIBDRN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000504323872 913166600 /nfs/dbraw/zinc/16/66/00/913166600.db2.gz FSZRMGGCQJZYSG-VXGBXAGGSA-N 0 0 405.248 4.102 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)OC(C)C ZINC000472820179 887663592 /nfs/dbraw/zinc/66/35/92/887663592.db2.gz ZHMHGBAIXOTMLX-FOIQADDNSA-N 0 0 401.463 4.130 20 5 HIBDRN Cc1ccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(-c2nc(C3CC3)no2)c1 ZINC000472833175 887683308 /nfs/dbraw/zinc/68/33/08/887683308.db2.gz JLASWLXSHRFLIZ-UHFFFAOYSA-N 0 0 422.445 4.064 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCOc2c(Cl)cccc21 ZINC000472842568 887696318 /nfs/dbraw/zinc/69/63/18/887696318.db2.gz ZVDTYALLSBIRIA-UHFFFAOYSA-N 0 0 401.831 4.411 20 5 HIBDRN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000472845761 887700057 /nfs/dbraw/zinc/70/00/57/887700057.db2.gz GCASHCXWDOASPR-INIZCTEOSA-N 0 0 416.441 4.147 20 5 HIBDRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000504328996 913172291 /nfs/dbraw/zinc/17/22/91/913172291.db2.gz MYLFBRGWTJFQRN-GHMZBOCLSA-N 0 0 423.238 4.242 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(C)cc1C ZINC000472958224 887806749 /nfs/dbraw/zinc/80/67/49/887806749.db2.gz HBKWCZCVHXXUEP-UHFFFAOYSA-N 0 0 400.434 4.337 20 5 HIBDRN CC(C)Sc1ccccc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000473083610 887899175 /nfs/dbraw/zinc/89/91/75/887899175.db2.gz UISAHENFLMCTNA-UHFFFAOYSA-N 0 0 407.879 4.117 20 5 HIBDRN CCOc1cc(NC(=O)c2cnc(-c3ccco3)s2)c([N+](=O)[O-])cc1OCC ZINC000504360573 913193394 /nfs/dbraw/zinc/19/33/94/913193394.db2.gz XCBHHXLHZUNNNE-UHFFFAOYSA-N 0 0 403.416 4.361 20 5 HIBDRN COCCn1c(C)c(C)c2cc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)ccc21 ZINC000504381007 913205898 /nfs/dbraw/zinc/20/58/98/913205898.db2.gz IOLAGNRLFIHVOX-AWEZNQCLSA-N 0 0 407.470 4.404 20 5 HIBDRN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000473396006 888108671 /nfs/dbraw/zinc/10/86/71/888108671.db2.gz PCMMEOICXXREIN-BJOHPYRUSA-N 0 0 410.342 4.372 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([C@H]2CCCOC2)[nH]n1 ZINC000473422088 888141784 /nfs/dbraw/zinc/14/17/84/888141784.db2.gz PQQXACLUWUWHGC-ZDUSSCGKSA-N 0 0 404.492 4.356 20 5 HIBDRN CCCCN(C)C(=O)C1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000473508898 888237565 /nfs/dbraw/zinc/23/75/65/888237565.db2.gz PQMNAKIHXSRBJS-UHFFFAOYSA-N 0 0 412.328 4.141 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000473510931 888239687 /nfs/dbraw/zinc/23/96/87/888239687.db2.gz WKXAESRFTCYBKD-SFHVURJKSA-N 0 0 401.369 4.322 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc(Nc2nc3ccccc3cc2[N+](=O)[O-])c1)n1cccn1 ZINC000473517625 888249075 /nfs/dbraw/zinc/24/90/75/888249075.db2.gz JAIZMMRVMITDJP-AWEZNQCLSA-N 0 0 402.414 4.283 20 5 HIBDRN COc1cc(OC)cc(N2CC[C@@H](CNc3nc4ccccc4cc3[N+](=O)[O-])C2)c1 ZINC000473528666 888266961 /nfs/dbraw/zinc/26/69/61/888266961.db2.gz VSPGFSXYAQSWAM-HNNXBMFYSA-N 0 0 408.458 4.099 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000504408648 913227215 /nfs/dbraw/zinc/22/72/15/913227215.db2.gz SLJINNRENRELOS-CYBMUJFWSA-N 0 0 418.409 4.301 20 5 HIBDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000473558181 888296360 /nfs/dbraw/zinc/29/63/60/888296360.db2.gz YALYUFGAKOHZRC-HJFSHJIFSA-N 0 0 402.516 4.463 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)c3ccc4cc[nH]c4c3)cc2)c(C)c1[N+](=O)[O-] ZINC000473582372 888323713 /nfs/dbraw/zinc/32/37/13/888323713.db2.gz IPNHLCJJLUXJEA-UHFFFAOYSA-N 0 0 403.442 4.214 20 5 HIBDRN Cc1nc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)oc1-c1ccc(Cl)cc1 ZINC000473599488 888343761 /nfs/dbraw/zinc/34/37/61/888343761.db2.gz NYHBBUPWFVGFAG-UHFFFAOYSA-N 0 0 424.844 4.483 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000473633722 888374635 /nfs/dbraw/zinc/37/46/35/888374635.db2.gz YGEPAMMNRBFIPI-ZUZCIYMTSA-N 0 0 418.222 4.264 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000473656259 888405149 /nfs/dbraw/zinc/40/51/49/888405149.db2.gz AJHROPKEHXOAPQ-RDJZCZTQSA-N 0 0 409.417 4.113 20 5 HIBDRN COc1cccc(Oc2ncccc2CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000473766576 888563636 /nfs/dbraw/zinc/56/36/36/888563636.db2.gz RHFBFODWYDEXMN-UHFFFAOYSA-N 0 0 408.414 4.421 20 5 HIBDRN COc1ccc(CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000473776819 888578779 /nfs/dbraw/zinc/57/87/79/888578779.db2.gz RYDACBKNBVFSNU-UHFFFAOYSA-N 0 0 424.375 4.141 20 5 HIBDRN Cc1cc(NC(=O)N2CCc3c(Br)ccc(F)c3C2)ccc1[N+](=O)[O-] ZINC000473781721 888587232 /nfs/dbraw/zinc/58/72/32/888587232.db2.gz ZWVQINZDEQBQCN-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN CCN(C[C@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000473857000 888707213 /nfs/dbraw/zinc/70/72/13/888707213.db2.gz FPGQJKKOOJZQCR-CQSZACIVSA-N 0 0 401.429 4.065 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2N(C)C(C)C)cc1SC ZINC000474073091 888899781 /nfs/dbraw/zinc/89/97/81/888899781.db2.gz LAHSOKCNOZRXEZ-UHFFFAOYSA-N 0 0 403.504 4.100 20 5 HIBDRN CCCOc1ccc(C(C)(C)NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000474136493 888956808 /nfs/dbraw/zinc/95/68/08/888956808.db2.gz NLONLIDJFFTZAB-UHFFFAOYSA-N 0 0 401.463 4.127 20 5 HIBDRN CCOc1ccc(C2(CNc3ccc([N+](=O)[O-])cc3COC)CCOCC2)cc1 ZINC000474139707 888964078 /nfs/dbraw/zinc/96/40/78/888964078.db2.gz CGFPZIYPYWREOK-UHFFFAOYSA-N 0 0 400.475 4.300 20 5 HIBDRN COc1ccc(CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)(C)C)c(OC)c1 ZINC000474156659 888991338 /nfs/dbraw/zinc/99/13/38/888991338.db2.gz HGBQUMUFGNUBDB-UHFFFAOYSA-N 0 0 415.490 4.160 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)cc1OC ZINC000474275357 889140670 /nfs/dbraw/zinc/14/06/70/889140670.db2.gz PFJNNVYMYIOWTO-HZPDHXFCSA-N 0 0 422.522 4.353 20 5 HIBDRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000504541247 913320130 /nfs/dbraw/zinc/32/01/30/913320130.db2.gz LUBYDMJLISQGNL-INIZCTEOSA-N 0 0 424.526 4.370 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000504560279 913333550 /nfs/dbraw/zinc/33/35/50/913333550.db2.gz GJYUACHWQHVHBX-UHFFFAOYSA-N 0 0 401.422 4.358 20 5 HIBDRN Cc1sc2[nH]c(Cn3cc([N+](=O)[O-])c(C)cc3=O)nc(=O)c2c1-c1ccc(C)cc1 ZINC000474392077 889262947 /nfs/dbraw/zinc/26/29/47/889262947.db2.gz OPZXJTAOTPNIHE-UHFFFAOYSA-N 0 0 422.466 4.107 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2C(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1 ZINC000504555752 913330133 /nfs/dbraw/zinc/33/01/33/913330133.db2.gz OULUDJFYGAWBCV-JOCHJYFZSA-N 0 0 420.469 4.221 20 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403.276 4.339 20 5 HIBDRN C[C@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)c1cccc([N+](=O)[O-])c1 ZINC000474976185 889831064 /nfs/dbraw/zinc/83/10/64/889831064.db2.gz XUCZPQWYPIIEGW-NSHDSACASA-N 0 0 402.501 4.357 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000504637236 913387104 /nfs/dbraw/zinc/38/71/04/913387104.db2.gz RQUZKXKPPCOQGG-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN O=C(Nc1nnc(CC2CCCCC2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000504651212 913394011 /nfs/dbraw/zinc/39/40/11/913394011.db2.gz TYMWNPMRYCFDGJ-UHFFFAOYSA-N 0 0 412.475 4.007 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000475058072 889902152 /nfs/dbraw/zinc/90/21/52/889902152.db2.gz NPEAECUIPUUYJG-UHFFFAOYSA-N 0 0 424.363 4.434 20 5 HIBDRN CC(=O)NC(C)(C)c1noc(-c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 ZINC000504659676 913401350 /nfs/dbraw/zinc/40/13/50/913401350.db2.gz GGOBJVBRYCJHPT-UHFFFAOYSA-N 0 0 412.471 4.476 20 5 HIBDRN 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O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCO[C@H](c2cccs2)C1 ZINC000475233603 890106254 /nfs/dbraw/zinc/10/62/54/890106254.db2.gz LQJBAAYZHVVYQA-ZDUSSCGKSA-N 0 0 401.366 4.281 20 5 HIBDRN COc1cc(CN2C[C@H](C)O[C@@H](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475270364 890165789 /nfs/dbraw/zinc/16/57/89/890165789.db2.gz RXRXFZNFWHMKPH-QMHKHESXSA-N 0 0 412.486 4.182 20 5 HIBDRN COc1cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475270366 890167325 /nfs/dbraw/zinc/16/73/25/890167325.db2.gz RXRXFZNFWHMKPH-WAIKUNEKSA-N 0 0 412.486 4.182 20 5 HIBDRN Cc1ccc(Cl)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000475380262 890310125 /nfs/dbraw/zinc/31/01/25/890310125.db2.gz FIBXDYKPVYOBRK-GOSISDBHSA-N 0 0 401.850 4.108 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CCCOc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000504714394 913447718 /nfs/dbraw/zinc/44/77/18/913447718.db2.gz BUSVVIBWPUQSKE-LPHOPBHVSA-N 0 0 409.486 4.475 20 5 HIBDRN 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ZINC000475561275 890490650 /nfs/dbraw/zinc/49/06/50/890490650.db2.gz LPGXUIYKFJTSEN-IAGOWNOFSA-N 0 0 419.485 4.393 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000504727024 913463544 /nfs/dbraw/zinc/46/35/44/913463544.db2.gz YMPPWOSRQUBJRZ-KRWDZBQOSA-N 0 0 412.471 4.427 20 5 HIBDRN O=[N+]([O-])c1cccc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)c1 ZINC000475624456 890561567 /nfs/dbraw/zinc/56/15/67/890561567.db2.gz JXVPXTOMWSOWRS-OAHLLOKOSA-N 0 0 419.197 4.199 20 5 HIBDRN CCOCCOCc1cccc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000475640929 890582490 /nfs/dbraw/zinc/58/24/90/890582490.db2.gz JDHVXRBKAQLZRJ-UHFFFAOYSA-N 0 0 401.463 4.086 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000475645788 890588330 /nfs/dbraw/zinc/58/83/30/890588330.db2.gz OUQJTHXFBZVOMH-VQIMIIECSA-N 0 0 402.882 4.432 20 5 HIBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1NC(N)=O ZINC000475723920 890661669 /nfs/dbraw/zinc/66/16/69/890661669.db2.gz GZCNYPKOOSDJFJ-UHFFFAOYSA-N 0 0 422.397 4.139 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000475753071 890699611 /nfs/dbraw/zinc/69/96/11/890699611.db2.gz AOOIBHLZKCMHDH-UHFFFAOYSA-N 0 0 407.213 4.105 20 5 HIBDRN Cc1cc(F)c(Br)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000475772918 890716644 /nfs/dbraw/zinc/71/66/44/890716644.db2.gz KTDLMTYFFCLVMX-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN COc1cc(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)ccc1[N+](=O)[O-] ZINC000475775702 890719983 /nfs/dbraw/zinc/71/99/83/890719983.db2.gz OHRNZMIITUJLDD-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCOc3nc(C)ccc32)cc1 ZINC000475821427 890755091 /nfs/dbraw/zinc/75/50/91/890755091.db2.gz NIWMQUDNYZGFFJ-UHFFFAOYSA-N 0 0 421.409 4.138 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000475850968 890784102 /nfs/dbraw/zinc/78/41/02/890784102.db2.gz HEUUXKOOKQHIKV-QGZVFWFLSA-N 0 0 403.797 4.082 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000475853889 890788348 /nfs/dbraw/zinc/78/83/48/890788348.db2.gz WYUDBYFRQOUJLP-UHFFFAOYSA-N 0 0 422.403 4.474 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000475857569 890793876 /nfs/dbraw/zinc/79/38/76/890793876.db2.gz PQDHEMYXLPSNRY-UHFFFAOYSA-N 0 0 410.171 4.393 20 5 HIBDRN Cn1c(SCC(=O)c2csc3ccccc23)nc2cc([N+](=O)[O-])ccc2c1=O ZINC000475867145 890804565 /nfs/dbraw/zinc/80/45/65/890804565.db2.gz PNJAWOKXVASFSO-UHFFFAOYSA-N 0 0 411.464 4.031 20 5 HIBDRN CCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000475875176 890810814 /nfs/dbraw/zinc/81/08/14/890810814.db2.gz ROBNCCZUTKGONW-CYBMUJFWSA-N 0 0 411.325 4.150 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N(Cc1cccc(Br)c1)CC1CC1 ZINC000475876240 890812176 /nfs/dbraw/zinc/81/21/76/890812176.db2.gz XLRMUDIZSYUXGW-UHFFFAOYSA-N 0 0 421.266 4.478 20 5 HIBDRN COc1cc(OCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)ccc1[N+](=O)[O-] ZINC000475879643 890814006 /nfs/dbraw/zinc/81/40/06/890814006.db2.gz IZVBIRXQJVMNIO-UHFFFAOYSA-N 0 0 413.451 4.324 20 5 HIBDRN COc1cc(OCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)ccc1[N+](=O)[O-] ZINC000475889859 890823176 /nfs/dbraw/zinc/82/31/76/890823176.db2.gz XLDWXIOGLVSVBW-UHFFFAOYSA-N 0 0 417.418 4.463 20 5 HIBDRN COc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(OCCOC(C)C)c1 ZINC000475907971 890837079 /nfs/dbraw/zinc/83/70/79/890837079.db2.gz UNVZDGLLOXSYSM-UHFFFAOYSA-N 0 0 416.474 4.072 20 5 HIBDRN O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000504760490 913496337 /nfs/dbraw/zinc/49/63/37/913496337.db2.gz SITHUKBSDWANHG-UHFFFAOYSA-N 0 0 412.449 4.437 20 5 HIBDRN CSc1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1Cl ZINC000475967103 890886239 /nfs/dbraw/zinc/88/62/39/890886239.db2.gz OQNRCKJYFXLXNW-UHFFFAOYSA-N 0 0 406.895 4.324 20 5 HIBDRN O=C(NC[C@@H](CCO)c1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000476082190 891004104 /nfs/dbraw/zinc/00/41/04/891004104.db2.gz WUIIPKPQDYKXON-OAQYLSRUSA-N 0 0 419.481 4.103 20 5 HIBDRN CCCN1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c2cc(F)ccc21 ZINC000476092285 891014302 /nfs/dbraw/zinc/01/43/02/891014302.db2.gz UHCKIGCFVUXBQV-UHFFFAOYSA-N 0 0 419.478 4.341 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000476158741 891083043 /nfs/dbraw/zinc/08/30/43/891083043.db2.gz OHYJIYSNWWQHAR-LJAQVGFWSA-N 0 0 417.531 4.348 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2cccc(Cl)c2O1 ZINC000476161307 891086831 /nfs/dbraw/zinc/08/68/31/891086831.db2.gz ULQASRKDRACMSN-ZDUSSCGKSA-N 0 0 401.850 4.276 20 5 HIBDRN CC(C)[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1nncn1C ZINC000476184903 891116210 /nfs/dbraw/zinc/11/62/10/891116210.db2.gz ZQEGZFMFLNHOKH-GOSISDBHSA-N 0 0 410.434 4.034 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000476346489 891250656 /nfs/dbraw/zinc/25/06/56/891250656.db2.gz GZGYXGJHOZGYGS-CYBMUJFWSA-N 0 0 411.433 4.165 20 5 HIBDRN COc1ccc([C@@H](CO)N(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000476348736 891253255 /nfs/dbraw/zinc/25/32/55/891253255.db2.gz HJLYMXZPNOUAPU-JOCHJYFZSA-N 0 0 421.453 4.153 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000476496957 891407853 /nfs/dbraw/zinc/40/78/53/891407853.db2.gz VCSWPBSNWDLDGX-UHFFFAOYSA-N 0 0 424.461 4.067 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnc1N1CCCC[C@H]1C ZINC000504846184 913571486 /nfs/dbraw/zinc/57/14/86/913571486.db2.gz LTUDYUGRXHTWEG-MRXNPFEDSA-N 0 0 420.473 4.115 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])nn1C)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000476644041 891581845 /nfs/dbraw/zinc/58/18/45/891581845.db2.gz MFWMFNMRJRNKTD-UHFFFAOYSA-N 0 0 419.268 4.497 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000476642139 891582419 /nfs/dbraw/zinc/58/24/19/891582419.db2.gz HZMDPWMLEZQBKL-HIFRSBDPSA-N 0 0 410.396 4.193 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)c1[N+](=O)[O-] ZINC000476649191 891591801 /nfs/dbraw/zinc/59/18/01/891591801.db2.gz QHFCMKIAPKTOAW-UHFFFAOYSA-N 0 0 409.233 4.186 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)c1[N+](=O)[O-] ZINC000476659419 891606417 /nfs/dbraw/zinc/60/64/17/891606417.db2.gz LOEIVOKWJXIWCJ-UHFFFAOYSA-N 0 0 409.233 4.015 20 5 HIBDRN CCc1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)onc1C(F)(F)F ZINC000476715113 891677784 /nfs/dbraw/zinc/67/77/84/891677784.db2.gz JPZFTXIQANLLLR-UHFFFAOYSA-N 0 0 412.368 4.019 20 5 HIBDRN C[C@@H](O)C[C@H]1CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000504855634 913583758 /nfs/dbraw/zinc/58/37/58/913583758.db2.gz CJEFMGHCMHITND-RHSMWYFYSA-N 0 0 417.893 4.236 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H]1C ZINC000476777291 891755996 /nfs/dbraw/zinc/75/59/96/891755996.db2.gz LHXCAGXEVUAKEY-LIRRHRJNSA-N 0 0 414.483 4.017 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000476792923 891776196 /nfs/dbraw/zinc/77/61/96/891776196.db2.gz CBOMYKITMWDYED-UHOSZYNNSA-N 0 0 402.491 4.029 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)c(C)s2)c1[N+](=O)[O-] ZINC000476921478 891870676 /nfs/dbraw/zinc/87/06/76/891870676.db2.gz NBWHIFAGCXRASM-UHFFFAOYSA-N 0 0 411.487 4.443 20 5 HIBDRN C[C@H](SCc1c([N+](=O)[O-])ncn1C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000476997873 891923851 /nfs/dbraw/zinc/92/38/51/891923851.db2.gz RYCKAWHPCRQRBE-VIFPVBQESA-N 0 0 417.472 4.293 20 5 HIBDRN COc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ncc1Br ZINC000477029443 891954608 /nfs/dbraw/zinc/95/46/08/891954608.db2.gz RRDPMUCAZWCTAS-UHFFFAOYSA-N 0 0 408.233 4.228 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2nc3cccc(Cl)c3n2C)cc1[N+](=O)[O-] ZINC000477037855 891962607 /nfs/dbraw/zinc/96/26/07/891962607.db2.gz XKHMIERCSSBDRS-LBPRGKRZSA-N 0 0 401.854 4.004 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477053519 891985165 /nfs/dbraw/zinc/98/51/65/891985165.db2.gz YPXIGHHUWTUQKX-ISKFKSNPSA-N 0 0 423.513 4.476 20 5 HIBDRN COc1ccc([C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c2ccc(F)cc2)cc1 ZINC000477069322 892002572 /nfs/dbraw/zinc/00/25/72/892002572.db2.gz QIFJJCKFWGVMHZ-QFIPXVFZSA-N 0 0 412.392 4.330 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000477145720 892071038 /nfs/dbraw/zinc/07/10/38/892071038.db2.gz WPRTUTBPRGHCFQ-HNNXBMFYSA-N 0 0 412.229 4.328 20 5 HIBDRN CC1(C)CO[C@@H](c2ccccc2Cl)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477229556 892167041 /nfs/dbraw/zinc/16/70/41/892167041.db2.gz SMMWMQAUJRJIBK-GOSISDBHSA-N 0 0 406.841 4.309 20 5 HIBDRN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1c(F)cccc1Cl ZINC000477269939 892221380 /nfs/dbraw/zinc/22/13/80/892221380.db2.gz CQQOUCOMICPEKK-ZDUSSCGKSA-N 0 0 405.857 4.481 20 5 HIBDRN O=C(NCc1c(F)cccc1OC(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000477322052 892285125 /nfs/dbraw/zinc/28/51/25/892285125.db2.gz RPFWWRMMSSHSGB-UHFFFAOYSA-N 0 0 419.153 4.028 20 5 HIBDRN CCc1ccc(-c2nc(Cn3cc(Br)c(=O)c([N+](=O)[O-])c3)cs2)cc1 ZINC000477394643 892351105 /nfs/dbraw/zinc/35/11/05/892351105.db2.gz FPKQOWVIAPWRNB-UHFFFAOYSA-N 0 0 420.288 4.253 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000477393502 892351244 /nfs/dbraw/zinc/35/12/44/892351244.db2.gz PZJZWEPKLQBFLK-UHFFFAOYSA-N 0 0 404.426 4.476 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000477432517 892384447 /nfs/dbraw/zinc/38/44/47/892384447.db2.gz WQGSBXVQMUGZTL-AWEZNQCLSA-N 0 0 410.449 4.359 20 5 HIBDRN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccc(OCc2ccccn2)c1 ZINC000477452844 892410329 /nfs/dbraw/zinc/41/03/29/892410329.db2.gz QGPRHSHYKYKWNA-OAHLLOKOSA-N 0 0 409.417 4.128 20 5 HIBDRN Cc1ccc2c(c1)N(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000477531390 892558760 /nfs/dbraw/zinc/55/87/60/892558760.db2.gz QKERKAIUCRMKDA-LBPRGKRZSA-N 0 0 410.348 4.272 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Cl)cc1Br ZINC000477551802 892594861 /nfs/dbraw/zinc/59/48/61/892594861.db2.gz RIMPUHMAYHMNAZ-UHFFFAOYSA-N 0 0 414.643 4.070 20 5 HIBDRN COc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])c(OC2CCCC2)c1 ZINC000477559572 892608184 /nfs/dbraw/zinc/60/81/84/892608184.db2.gz NQOZUVVBZFCEBG-UHFFFAOYSA-N 0 0 414.458 4.010 20 5 HIBDRN Cc1ccc(-c2ccc(C)c(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2)o1 ZINC000477578509 892644612 /nfs/dbraw/zinc/64/46/12/892644612.db2.gz MUGSVGMTKPBWSY-UHFFFAOYSA-N 0 0 407.426 4.230 20 5 HIBDRN Cc1ccc(-c2ccc(C)c(NC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)c2)o1 ZINC000477579056 892645616 /nfs/dbraw/zinc/64/56/16/892645616.db2.gz NWMRXVDGLMOQNH-UHFFFAOYSA-N 0 0 414.439 4.127 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000477625556 892739758 /nfs/dbraw/zinc/73/97/58/892739758.db2.gz CYWUDPFAWBOARN-UHFFFAOYSA-N 0 0 406.841 4.174 20 5 HIBDRN COCC[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccco1 ZINC000504961592 913700223 /nfs/dbraw/zinc/70/02/23/913700223.db2.gz GAVQVTOEHGDVIJ-KXBFYZLASA-N 0 0 424.457 4.264 20 5 HIBDRN Cc1cccc(CC2(O)CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)c1 ZINC000477675626 892805427 /nfs/dbraw/zinc/80/54/27/892805427.db2.gz ALNRLCVKXHZKKP-UHFFFAOYSA-N 0 0 410.495 4.328 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC(c2nc3ccccc3s2)C1 ZINC000477752074 892844253 /nfs/dbraw/zinc/84/42/53/892844253.db2.gz RNBBFJANMYFZNG-UHFFFAOYSA-N 0 0 417.874 4.253 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000477794714 892871094 /nfs/dbraw/zinc/87/10/94/892871094.db2.gz OVLYRPQNSWFIMO-SNVBAGLBSA-N 0 0 410.293 4.355 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000477815953 892884741 /nfs/dbraw/zinc/88/47/41/892884741.db2.gz CGYABKKFBIOQKP-NQIIRXRSSA-N 0 0 417.893 4.023 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000477827129 892891099 /nfs/dbraw/zinc/89/10/99/892891099.db2.gz UJWDIXNBWNNLSF-SCLBCKFNSA-N 0 0 422.268 4.368 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(CCc4ccccc4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000504970657 913710242 /nfs/dbraw/zinc/71/02/42/913710242.db2.gz XXJMWCJFSAVNAI-UHFFFAOYSA-N 0 0 403.442 4.292 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cn1 ZINC000477896594 892962566 /nfs/dbraw/zinc/96/25/66/892962566.db2.gz XDKSDOXWDUMFDD-CQSZACIVSA-N 0 0 422.466 4.361 20 5 HIBDRN Cc1n[nH]c(C(=O)N[C@@](C)(CC(C)C)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000478002601 893108064 /nfs/dbraw/zinc/10/80/64/893108064.db2.gz LWIFMLIORVXPRZ-KRWDZBQOSA-N 0 0 409.284 4.080 20 5 HIBDRN CCc1nc2c(s1)[C@@H](N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000478057447 893214180 /nfs/dbraw/zinc/21/41/80/893214180.db2.gz WWAJWFPDTLXNCZ-AWEZNQCLSA-N 0 0 408.911 4.215 20 5 HIBDRN NC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1F ZINC000478162816 893331607 /nfs/dbraw/zinc/33/16/07/893331607.db2.gz ACKVCLUZEFJHCE-UHFFFAOYSA-N 0 0 410.361 4.269 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(Br)ccc1N1CCCC1 ZINC000478204788 893365364 /nfs/dbraw/zinc/36/53/64/893365364.db2.gz IGIOSILRXOWHRB-UHFFFAOYSA-N 0 0 404.264 4.139 20 5 HIBDRN CC[C@@H](C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000478233882 893395005 /nfs/dbraw/zinc/39/50/05/893395005.db2.gz ORCWHLQKHIGLED-CYBMUJFWSA-N 0 0 405.476 4.079 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000478247704 893419408 /nfs/dbraw/zinc/41/94/08/893419408.db2.gz ATZJUFGUUQPXRP-UHFFFAOYSA-N 0 0 418.368 4.106 20 5 HIBDRN CC(C)[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc2N1 ZINC000478288913 893500014 /nfs/dbraw/zinc/50/00/14/893500014.db2.gz LHZIOLUYGCXBRA-IBGZPJMESA-N 0 0 408.502 4.295 20 5 HIBDRN CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)CCC2 ZINC000478310998 893535460 /nfs/dbraw/zinc/53/54/60/893535460.db2.gz VKKNCCRRDCITQU-MRXNPFEDSA-N 0 0 400.504 4.338 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000478316672 893543221 /nfs/dbraw/zinc/54/32/21/893543221.db2.gz 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O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000478536891 893837535 /nfs/dbraw/zinc/83/75/35/893837535.db2.gz FVVVETCKUPTMQB-UYAOXDASSA-N 0 0 407.470 4.181 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000478553728 893846351 /nfs/dbraw/zinc/84/63/51/893846351.db2.gz NBAKMAZFRPEVDB-JEBQAFNWSA-N 0 0 408.401 4.160 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(NC(=O)N(C)C)cc1 ZINC000478569937 893853176 /nfs/dbraw/zinc/85/31/76/893853176.db2.gz QPXCJMBXKXOTQN-UHFFFAOYSA-N 0 0 416.503 4.119 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CCCCc1ccccc1)c1ccccc1 ZINC000478594179 893864013 /nfs/dbraw/zinc/86/40/13/893864013.db2.gz GCTSMVZUUTYVGH-NRFANRHFSA-N 0 0 406.486 4.370 20 5 HIBDRN CCCCn1ccnc1-c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000478633436 893886719 /nfs/dbraw/zinc/88/67/19/893886719.db2.gz NGPHRFQKCIHTFH-UHFFFAOYSA-N 0 0 424.457 4.285 20 5 HIBDRN CCSc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 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RQDUVBKDJRPCGY-UHFFFAOYSA-N 0 0 407.455 4.318 20 5 HIBDRN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000478782777 894059402 /nfs/dbraw/zinc/05/94/02/894059402.db2.gz OTELTBJRXOGKNO-UHFFFAOYSA-N 0 0 418.797 4.034 20 5 HIBDRN Cc1c(CNC(=O)NCc2cccnc2Oc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000478790844 894067024 /nfs/dbraw/zinc/06/70/24/894067024.db2.gz XPEIPSUMNCMGJT-UHFFFAOYSA-N 0 0 410.405 4.229 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2)on1 ZINC000478801862 894077109 /nfs/dbraw/zinc/07/71/09/894077109.db2.gz RTROTXNBPMXNDL-UHFFFAOYSA-N 0 0 403.394 4.342 20 5 HIBDRN C[C@H]1[C@H](C(F)(F)F)CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000478915154 894195543 /nfs/dbraw/zinc/19/55/43/894195543.db2.gz IEWAUTTWFJGFCI-IONNQARKSA-N 0 0 421.224 4.253 20 5 HIBDRN CCCn1nccc1C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000505151302 913845101 /nfs/dbraw/zinc/84/51/01/913845101.db2.gz PCJVKOJAYDYFNU-UHFFFAOYSA-N 0 0 414.509 4.308 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000478916334 894197945 /nfs/dbraw/zinc/19/79/45/894197945.db2.gz RZRLUTHDZYCMOL-OPAMFIHVSA-N 0 0 419.441 4.230 20 5 HIBDRN Cn1c(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc2cccnc21 ZINC000505153131 913846128 /nfs/dbraw/zinc/84/61/28/913846128.db2.gz QHSJVDWBPVWHAT-UHFFFAOYSA-N 0 0 405.439 4.280 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000479030995 894295531 /nfs/dbraw/zinc/29/55/31/894295531.db2.gz FDSNAXJMSCDWBX-UHFFFAOYSA-N 0 0 416.796 4.496 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc([N+](=O)[O-])c1C ZINC000479097326 894362616 /nfs/dbraw/zinc/36/26/16/894362616.db2.gz HYNQUTBCTZFDKU-SSEXGKCCSA-N 0 0 424.478 4.472 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000479154469 894423646 /nfs/dbraw/zinc/42/36/46/894423646.db2.gz AMKIQLSYFBHXAZ-LBPRGKRZSA-N 0 0 424.423 4.265 20 5 HIBDRN 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ZINC000479350735 894647185 /nfs/dbraw/zinc/64/71/85/894647185.db2.gz RVSQIXOJVUFXIV-IBGZPJMESA-N 0 0 420.469 4.233 20 5 HIBDRN CCC(=O)c1ccc(NCc2cccc(C(=O)NCc3ccco3)c2)c([N+](=O)[O-])c1 ZINC000479362422 894662676 /nfs/dbraw/zinc/66/26/76/894662676.db2.gz FAMMPKLCCPRECN-UHFFFAOYSA-N 0 0 407.426 4.323 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C1(c2ccc(Cl)cc2)CCOCC1 ZINC000479370261 894671488 /nfs/dbraw/zinc/67/14/88/894671488.db2.gz BVXPWEJBYVICEZ-UHFFFAOYSA-N 0 0 423.296 4.309 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(C(F)(F)F)cc1 ZINC000479372371 894673441 /nfs/dbraw/zinc/67/34/41/894673441.db2.gz IAYOLHYNWMOQAE-GFCCVEGCSA-N 0 0 416.377 4.018 20 5 HIBDRN COc1cc(C(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)cc([N+](=O)[O-])c1OC ZINC000479380020 894680992 /nfs/dbraw/zinc/68/09/92/894680992.db2.gz NJBNEBUVPATGOY-KRWDZBQOSA-N 0 0 413.474 4.183 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C1(c2ccccc2Cl)CCOCC1 ZINC000479380546 894682282 /nfs/dbraw/zinc/68/22/82/894682282.db2.gz UAZAVJZFUGSNQK-UHFFFAOYSA-N 0 0 423.296 4.309 20 5 HIBDRN CCC(=O)c1ccc(NCc2cccc(NC(=O)c3ccncc3)c2)c([N+](=O)[O-])c1 ZINC000479393605 894697822 /nfs/dbraw/zinc/69/78/22/894697822.db2.gz KYFLGSQZDIRBOV-UHFFFAOYSA-N 0 0 404.426 4.447 20 5 HIBDRN O=C(Nc1cccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1)c1ccco1 ZINC000479449169 894767145 /nfs/dbraw/zinc/76/71/45/894767145.db2.gz ROSCSUJMPXJXMT-UHFFFAOYSA-N 0 0 413.817 4.066 20 5 HIBDRN CCN(C[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000479493128 894813062 /nfs/dbraw/zinc/81/30/62/894813062.db2.gz VGAODBQRCGAFJD-NSHDSACASA-N 0 0 410.234 4.068 20 5 HIBDRN CC[C@H]1CC[C@H](NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])CC1 ZINC000479497978 894815486 /nfs/dbraw/zinc/81/54/86/894815486.db2.gz DDPJKCJLLBAUTE-HDJSIYSDSA-N 0 0 419.503 4.338 20 5 HIBDRN O=C(CSc1nc2cc(F)cc(Cl)c2o1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000479499281 894817011 /nfs/dbraw/zinc/81/70/11/894817011.db2.gz FMGAKMXSCRGLCI-UHFFFAOYSA-N 0 0 407.810 4.210 20 5 HIBDRN CN(Cc1ccc(F)cc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000479574945 894867638 /nfs/dbraw/zinc/86/76/38/894867638.db2.gz OEWUZKSAPVQICB-UHFFFAOYSA-N 0 0 400.179 4.299 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000479608311 894882525 /nfs/dbraw/zinc/88/25/25/894882525.db2.gz DFRLHZQFAOOQSP-ZDUSSCGKSA-N 0 0 404.850 4.160 20 5 HIBDRN O=[N+]([O-])c1ccc(CNCc2cc(Br)ccc2Br)cc1 ZINC000479614804 894885253 /nfs/dbraw/zinc/88/52/53/894885253.db2.gz LICVSBUJOJQQAP-UHFFFAOYSA-N 0 0 400.070 4.410 20 5 HIBDRN Cn1cc([C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC000479621859 894890733 /nfs/dbraw/zinc/89/07/33/894890733.db2.gz SUEBMZYLLCBELZ-HXUWFJFHSA-N 0 0 410.449 4.284 20 5 HIBDRN COc1cc(CSCc2ccc(Cl)cc2-n2cncn2)c([N+](=O)[O-])cc1F ZINC000479622213 894891085 /nfs/dbraw/zinc/89/10/85/894891085.db2.gz YYADNPHPXVVYEU-UHFFFAOYSA-N 0 0 408.842 4.410 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2cc(C(F)(F)F)n[nH]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000479626152 894892736 /nfs/dbraw/zinc/89/27/36/894892736.db2.gz KVWSNFWXFRCLBD-JTQLQIEISA-N 0 0 420.351 4.157 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCc3nc4c(s3)CCCC4)cc2[N+](=O)[O-])C1 ZINC000479645217 894914654 /nfs/dbraw/zinc/91/46/54/894914654.db2.gz OOWMPOYCYITGHX-AWEZNQCLSA-N 0 0 414.531 4.096 20 5 HIBDRN COCC[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C)o1 ZINC000479658101 894932475 /nfs/dbraw/zinc/93/24/75/894932475.db2.gz RJJZJBSUGVAAAJ-OAHLLOKOSA-N 0 0 401.444 4.127 20 5 HIBDRN C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2cccc(F)c2O1 ZINC000479713154 895009099 /nfs/dbraw/zinc/00/90/99/895009099.db2.gz MRNUNAQGSLVPSG-HNNXBMFYSA-N 0 0 402.425 4.108 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000479753220 895052156 /nfs/dbraw/zinc/05/21/56/895052156.db2.gz KVIXGZAZIXZTIQ-ZDUSSCGKSA-N 0 0 408.380 4.322 20 5 HIBDRN CCc1ccc([C@@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCO2)cc1 ZINC000479754876 895053807 /nfs/dbraw/zinc/05/38/07/895053807.db2.gz MXLDXQXJUCMTCW-IBGZPJMESA-N 0 0 403.866 4.094 20 5 HIBDRN COc1cccc(Cc2nnc(NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)o2)c1 ZINC000479771298 895072181 /nfs/dbraw/zinc/07/21/81/895072181.db2.gz IFHRGHPPVFSLNG-UHFFFAOYSA-N 0 0 406.398 4.449 20 5 HIBDRN C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1(c2ccccc2)CCCC1 ZINC000479782341 895084778 /nfs/dbraw/zinc/08/47/78/895084778.db2.gz USTMHDHRAZKKDM-HNNXBMFYSA-N 0 0 405.454 4.479 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000479851160 895184648 /nfs/dbraw/zinc/18/46/48/895184648.db2.gz NGXYMBQYGARTGF-UHFFFAOYSA-N 0 0 420.238 4.126 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000479958424 895311536 /nfs/dbraw/zinc/31/15/36/895311536.db2.gz BMJKDMJRPDAHKZ-NRFANRHFSA-N 0 0 421.501 4.325 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000479958426 895311993 /nfs/dbraw/zinc/31/19/93/895311993.db2.gz BMJKDMJRPDAHKZ-OAQYLSRUSA-N 0 0 421.501 4.325 20 5 HIBDRN COc1ccc(Cl)cc1C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000479971064 895325262 /nfs/dbraw/zinc/32/52/62/895325262.db2.gz RZAXCMHWKCIHTA-UHFFFAOYSA-N 0 0 408.857 4.234 20 5 HIBDRN COc1cc(C(=O)N(CCc2ccccc2)Cc2cccnc2)cc([N+](=O)[O-])c1C ZINC000480024456 895375024 /nfs/dbraw/zinc/37/50/24/895375024.db2.gz UGVSKYFJTARSHI-UHFFFAOYSA-N 0 0 405.454 4.192 20 5 HIBDRN Cc1c(CNC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cccc1[N+](=O)[O-] ZINC000480053464 895402245 /nfs/dbraw/zinc/40/22/45/895402245.db2.gz KPWXUTYPJLDVIO-MRXNPFEDSA-N 0 0 414.531 4.328 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc([N+](=O)[O-])c1C ZINC000480110962 895482440 /nfs/dbraw/zinc/48/24/40/895482440.db2.gz RPKUYORLIFLWFI-UHFFFAOYSA-N 0 0 413.411 4.016 20 5 HIBDRN COc1c(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)cccc1[N+](=O)[O-] ZINC000480124521 895498454 /nfs/dbraw/zinc/49/84/54/895498454.db2.gz YKSOPICLKVRGPG-UHFFFAOYSA-N 0 0 405.313 4.112 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000480161408 895549955 /nfs/dbraw/zinc/54/99/55/895549955.db2.gz RHUFBIKMSFKFSI-ZDUSSCGKSA-N 0 0 404.488 4.079 20 5 HIBDRN COc1cc(C(=O)N(Cc2cccc(C)c2)Cc2ccccn2)cc([N+](=O)[O-])c1C ZINC000480179615 895574303 /nfs/dbraw/zinc/57/43/03/895574303.db2.gz KJFADVBEELPAHQ-UHFFFAOYSA-N 0 0 405.454 4.458 20 5 HIBDRN Cc1cc([C@H]2CN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCO2)ccc1F ZINC000480188738 895586285 /nfs/dbraw/zinc/58/62/85/895586285.db2.gz ZVEDSUAKHDYYIO-FOIQADDNSA-N 0 0 401.438 4.195 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1COCc1ccccc1 ZINC000480292341 895697898 /nfs/dbraw/zinc/69/78/98/895697898.db2.gz QATDKWBZTVFOQA-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000505329123 913993117 /nfs/dbraw/zinc/99/31/17/913993117.db2.gz LOMCEKRWOVWHOP-UHFFFAOYSA-N 0 0 416.441 4.477 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1Oc1ncncc1-c1ccccc1 ZINC000480317555 895720233 /nfs/dbraw/zinc/72/02/33/895720233.db2.gz XIKVJOLJLLOZLR-UHFFFAOYSA-N 0 0 419.178 4.449 20 5 HIBDRN COc1cc(OC)cc([C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)c2nccn2C)c1 ZINC000480330770 895734050 /nfs/dbraw/zinc/73/40/50/895734050.db2.gz GCYUOEOOUOWNRN-QVKFZJNVSA-N 0 0 410.474 4.094 20 5 HIBDRN COc1cc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc([N+](=O)[O-])c1C ZINC000480414249 895812574 /nfs/dbraw/zinc/81/25/74/895812574.db2.gz UCTJIFYOSBZTJZ-UHFFFAOYSA-N 0 0 422.825 4.475 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Nc2ccc(Cc3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000480450878 895838625 /nfs/dbraw/zinc/83/86/25/895838625.db2.gz VGQNTUPACSYYKD-UHFFFAOYSA-N 0 0 413.437 4.289 20 5 HIBDRN C[C@@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000480492392 895865059 /nfs/dbraw/zinc/86/50/59/895865059.db2.gz AYFAHUQKECQGMX-LLVKDONJSA-N 0 0 402.248 4.259 20 5 HIBDRN Cc1c(CS(=O)(=O)Cc2ncc(-c3cccc(Cl)c3)o2)cccc1[N+](=O)[O-] ZINC000480509973 895877134 /nfs/dbraw/zinc/87/71/34/895877134.db2.gz CRHYMMKSUNDDMZ-UHFFFAOYSA-N 0 0 406.847 4.327 20 5 HIBDRN COCc1c(Br)cccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000505348487 914013346 /nfs/dbraw/zinc/01/33/46/914013346.db2.gz FNEXTQWKALVMMR-UHFFFAOYSA-N 0 0 411.277 4.235 20 5 HIBDRN COC(=O)c1nc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)sc1C ZINC000480578969 895939086 /nfs/dbraw/zinc/93/90/86/895939086.db2.gz JCXVCLGVKSFXKI-LBPRGKRZSA-N 0 0 413.402 4.089 20 5 HIBDRN COc1c(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000512381164 921119183 /nfs/dbraw/zinc/11/91/83/921119183.db2.gz NPMKVMJXLIDCMS-GOSISDBHSA-N 0 0 412.339 4.333 20 5 HIBDRN Cc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480629511 895997181 /nfs/dbraw/zinc/99/71/81/895997181.db2.gz FATNJVCVCJSRMR-IBGZPJMESA-N 0 0 417.874 4.020 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F ZINC000480724274 896084716 /nfs/dbraw/zinc/08/47/16/896084716.db2.gz MXKJQCMRUCGWKD-UHFFFAOYSA-N 0 0 403.410 4.353 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480729152 896089943 /nfs/dbraw/zinc/08/99/43/896089943.db2.gz RLCSUVRQXCSFQZ-AWEZNQCLSA-N 0 0 411.549 4.482 20 5 HIBDRN COCCNc1ccccc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000480802303 896170242 /nfs/dbraw/zinc/17/02/42/896170242.db2.gz ILAASKNRLGBYER-INIZCTEOSA-N 0 0 412.490 4.142 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2cc(Br)ccc2C1 ZINC000480845243 896215915 /nfs/dbraw/zinc/21/59/15/896215915.db2.gz XVTAZHYGOBZHBA-UHFFFAOYSA-N 0 0 412.243 4.104 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1C ZINC000480939836 896288231 /nfs/dbraw/zinc/28/82/31/896288231.db2.gz UWGUFTLQLIMELP-INIZCTEOSA-N 0 0 417.512 4.347 20 5 HIBDRN C[C@H](C(=O)N1CCc2cc(Br)ccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000480991686 896324992 /nfs/dbraw/zinc/32/49/92/896324992.db2.gz MTPCYOAJLJWXKN-NSHDSACASA-N 0 0 407.239 4.185 20 5 HIBDRN Cc1cc(N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC000481055487 896378423 /nfs/dbraw/zinc/37/84/23/896378423.db2.gz IHXQEVHDZCFEEV-LBPRGKRZSA-N 0 0 420.185 4.225 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000481062972 896383866 /nfs/dbraw/zinc/38/38/66/896383866.db2.gz WBNTXGQSHIQAOQ-GOSISDBHSA-N 0 0 410.474 4.028 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000481168417 896500962 /nfs/dbraw/zinc/50/09/62/896500962.db2.gz QVIXTDRZSYPGHD-LBPRGKRZSA-N 0 0 415.471 4.315 20 5 HIBDRN CCn1c(SCCn2ccc([N+](=O)[O-])n2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000481238741 896588343 /nfs/dbraw/zinc/58/83/43/896588343.db2.gz YLPLXTLSXZKBOB-UHFFFAOYSA-N 0 0 400.508 4.160 20 5 HIBDRN CC(C)[C@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 ZINC000481301142 896645295 /nfs/dbraw/zinc/64/52/95/896645295.db2.gz NSZQLGIJUBDRAK-UXHICEINSA-N 0 0 417.893 4.285 20 5 HIBDRN Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000505422522 914086774 /nfs/dbraw/zinc/08/67/74/914086774.db2.gz WMUHRSNQASZVPN-AWEZNQCLSA-N 0 0 408.458 4.345 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000505425374 914088657 /nfs/dbraw/zinc/08/86/57/914088657.db2.gz PYGAUGUYLLBMQD-UHFFFAOYSA-N 0 0 404.426 4.436 20 5 HIBDRN Cc1nc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1Br ZINC000481347748 896720130 /nfs/dbraw/zinc/72/01/30/896720130.db2.gz VNCFOHOYPDXEEB-UHFFFAOYSA-N 0 0 405.252 4.257 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000505428436 914093533 /nfs/dbraw/zinc/09/35/33/914093533.db2.gz LZHNWZXTZNOHEF-OAHLLOKOSA-N 0 0 406.332 4.385 20 5 HIBDRN Cc1cc(C)cc(-c2nnc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])s2)c1 ZINC000481367863 896755518 /nfs/dbraw/zinc/75/55/18/896755518.db2.gz AWFIWADSIYBFTC-UHFFFAOYSA-N 0 0 411.487 4.437 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481377631 896773759 /nfs/dbraw/zinc/77/37/59/896773759.db2.gz KPSHBLCCKKMXIF-XIKOKIGWSA-N 0 0 402.838 4.164 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000481455206 896849851 /nfs/dbraw/zinc/84/98/51/896849851.db2.gz VIPPZSKHZXXLBT-UHFFFAOYSA-N 0 0 406.360 4.322 20 5 HIBDRN COc1cc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000481463022 896855577 /nfs/dbraw/zinc/85/55/77/896855577.db2.gz YAWLNPFSLNEFHF-AULYBMBSSA-N 0 0 410.348 4.020 20 5 HIBDRN Cc1c(CNC(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000481486296 896867864 /nfs/dbraw/zinc/86/78/64/896867864.db2.gz ZFSZKRBZAOSZOL-HNNXBMFYSA-N 0 0 405.454 4.377 20 5 HIBDRN Cc1c(CNC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)cccc1[N+](=O)[O-] ZINC000481489972 896869851 /nfs/dbraw/zinc/86/98/51/896869851.db2.gz JIOSWCHVVVOVQB-LLVKDONJSA-N 0 0 409.255 4.300 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000481545262 896908228 /nfs/dbraw/zinc/90/82/28/896908228.db2.gz QZAOSBPJWGCRRX-KZULUSFZSA-N 0 0 402.838 4.164 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000481583282 896962514 /nfs/dbraw/zinc/96/25/14/896962514.db2.gz GNQVMRYKRWQTGM-OAHLLOKOSA-N 0 0 423.256 4.137 20 5 HIBDRN COc1ccc(C(=O)NCC(C)(C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000481599494 896978499 /nfs/dbraw/zinc/97/84/99/896978499.db2.gz UBWQJZUZKLZYOV-UHFFFAOYSA-N 0 0 407.264 4.074 20 5 HIBDRN COC(=O)[C@@](C)(NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000481623563 897007614 /nfs/dbraw/zinc/00/76/14/897007614.db2.gz NNAPDNBIMXWIFE-SFHVURJKSA-N 0 0 413.257 4.088 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000481659935 897043119 /nfs/dbraw/zinc/04/31/19/897043119.db2.gz OWYWMHCJUIIVMB-QFIPXVFZSA-N 0 0 416.412 4.439 20 5 HIBDRN O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000481685666 897069270 /nfs/dbraw/zinc/06/92/70/897069270.db2.gz PZPQLUVWAICNKY-UHFFFAOYSA-N 0 0 423.429 4.219 20 5 HIBDRN CSc1ccc(C(=O)N(C)Cc2ccc(F)cc2Br)cc1[N+](=O)[O-] ZINC000481705909 897095478 /nfs/dbraw/zinc/09/54/78/897095478.db2.gz WPOPETJHLIYIEK-UHFFFAOYSA-N 0 0 413.268 4.491 20 5 HIBDRN COc1cc(OC[C@H](O)COC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000481707535 897096982 /nfs/dbraw/zinc/09/69/82/897096982.db2.gz SUSIBKRLTNZZCF-IBGZPJMESA-N 0 0 409.438 4.149 20 5 HIBDRN CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000505457237 914126622 /nfs/dbraw/zinc/12/66/22/914126622.db2.gz JCIGCZMVZLZOFU-UHFFFAOYSA-N 0 0 414.311 4.490 20 5 HIBDRN CCOc1cc(NC(=O)[C@@H](CC)Oc2ccccc2F)c([N+](=O)[O-])cc1OCC ZINC000481773083 897156830 /nfs/dbraw/zinc/15/68/30/897156830.db2.gz ZRGIYYDUXGVUQH-MRXNPFEDSA-N 0 0 406.410 4.327 20 5 HIBDRN CCC(=O)Nc1ccc(C)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000481832562 897200514 /nfs/dbraw/zinc/20/05/14/897200514.db2.gz ZCWKNIRCAZVWBD-UHFFFAOYSA-N 0 0 410.474 4.107 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1 ZINC000481840791 897207319 /nfs/dbraw/zinc/20/73/19/897207319.db2.gz XPAGFQAYACXWQQ-UHFFFAOYSA-N 0 0 412.862 4.381 20 5 HIBDRN COc1cc(C(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)c([N+](=O)[O-])cc1OC ZINC000481857334 897224044 /nfs/dbraw/zinc/22/40/44/897224044.db2.gz JIBQSPLLQGTUKQ-UHFFFAOYSA-N 0 0 424.457 4.482 20 5 HIBDRN CCc1c(NC(=O)c2cc([N+](=O)[O-])cnc2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000481861004 897227251 /nfs/dbraw/zinc/22/72/51/897227251.db2.gz COLCTAJDNMIFCM-UHFFFAOYSA-N 0 0 419.363 4.317 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 ZINC000481905966 897287774 /nfs/dbraw/zinc/28/77/74/897287774.db2.gz GUGRKLGGCHAXNN-UHFFFAOYSA-N 0 0 415.471 4.095 20 5 HIBDRN COc1cccc(F)c1[C@H](C)NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000505474131 914149386 /nfs/dbraw/zinc/14/93/86/914149386.db2.gz YOUXJHOYCOOKAA-NSHDSACASA-N 0 0 414.380 4.246 20 5 HIBDRN COc1ccc(-c2nnc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000481949232 897338153 /nfs/dbraw/zinc/33/81/53/897338153.db2.gz COWQQERCRZSVFZ-UHFFFAOYSA-N 0 0 413.459 4.179 20 5 HIBDRN O=C(COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])N1CCC[C@H](C(F)(F)F)C1 ZINC000481975241 897367606 /nfs/dbraw/zinc/36/76/06/897367606.db2.gz UVVWXGIQZAGQMH-KRWDZBQOSA-N 0 0 422.403 4.365 20 5 HIBDRN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000481998264 897396077 /nfs/dbraw/zinc/39/60/77/897396077.db2.gz COZQXLFNNANDFJ-YOEHRIQHSA-N 0 0 402.416 4.344 20 5 HIBDRN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000482001010 897397056 /nfs/dbraw/zinc/39/70/56/897397056.db2.gz VPBSIAMMVURRIZ-UHFFFAOYSA-N 0 0 423.429 4.219 20 5 HIBDRN CCCc1n[nH]c(C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)c1[N+](=O)[O-] ZINC000482032379 897442870 /nfs/dbraw/zinc/44/28/70/897442870.db2.gz LJYLMEUBHBSGEE-UHFFFAOYSA-N 0 0 410.261 4.031 20 5 HIBDRN Cn1cc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482034773 897449111 /nfs/dbraw/zinc/44/91/11/897449111.db2.gz RYIFWXLVRLOFPG-HNNXBMFYSA-N 0 0 410.396 4.046 20 5 HIBDRN CCOCCC1(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000505485089 914168009 /nfs/dbraw/zinc/16/80/09/914168009.db2.gz XQMDMACWAWRDGW-IAGOWNOFSA-N 0 0 403.523 4.014 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000482088196 897529606 /nfs/dbraw/zinc/52/96/06/897529606.db2.gz LFHPHCIRJUTNBO-UHFFFAOYSA-N 0 0 418.356 4.075 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505491621 914174993 /nfs/dbraw/zinc/17/49/93/914174993.db2.gz QJGDKKRUVWPQES-QAPCUYQASA-N 0 0 416.359 4.085 20 5 HIBDRN C[C@H](O)[C@](C)(CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000482179488 897647524 /nfs/dbraw/zinc/64/75/24/897647524.db2.gz JJIUNRRJRMTWAG-XOBRGWDASA-N 0 0 422.934 4.086 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)cc1SC ZINC000482215275 897694297 /nfs/dbraw/zinc/69/42/97/897694297.db2.gz RCMHVNYYWJOFLN-PWSUYJOCSA-N 0 0 406.426 4.424 20 5 HIBDRN CC[C@H](CN(CC)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccccc1 ZINC000482254770 897736704 /nfs/dbraw/zinc/73/67/04/897736704.db2.gz JFNADFFJJYAPSD-GOSISDBHSA-N 0 0 411.502 4.087 20 5 HIBDRN 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GWXNPACZDIKNNR-UHFFFAOYSA-N 0 0 416.441 4.089 20 5 HIBDRN COc1cc(C(=O)N(C)Cc2cc[nH]n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000482726364 898326659 /nfs/dbraw/zinc/32/66/59/898326659.db2.gz XUFUDWRXLHOEEE-UHFFFAOYSA-N 0 0 416.821 4.044 20 5 HIBDRN COc1cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000505541481 914236935 /nfs/dbraw/zinc/23/69/35/914236935.db2.gz YTZHBLLZFZPCHF-KRWDZBQOSA-N 0 0 422.428 4.386 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1SC ZINC000482777322 898385857 /nfs/dbraw/zinc/38/58/57/898385857.db2.gz DDFZBVRNLYRQCZ-UHFFFAOYSA-N 0 0 415.471 4.235 20 5 HIBDRN CN(Cc1ccc(F)cc1Br)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000482785160 898393474 /nfs/dbraw/zinc/39/34/74/898393474.db2.gz CKZRZLRWIJZIMQ-UHFFFAOYSA-N 0 0 406.211 4.250 20 5 HIBDRN CSc1cccc(C(=O)N(C)Cc2ccc(F)cc2Br)c1[N+](=O)[O-] ZINC000482786044 898394356 /nfs/dbraw/zinc/39/43/56/898394356.db2.gz APAKMSWTAXDBAN-UHFFFAOYSA-N 0 0 413.268 4.491 20 5 HIBDRN CN(Cc1ccc(F)cc1Br)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000482798372 898407985 /nfs/dbraw/zinc/40/79/85/898407985.db2.gz GNONXWIHJVMOFM-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482807743 898418182 /nfs/dbraw/zinc/41/81/82/898418182.db2.gz XHQPFJSZJXVJGB-WYRIXSBYSA-N 0 0 415.833 4.008 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000482830255 898438192 /nfs/dbraw/zinc/43/81/92/898438192.db2.gz LGSRUFJYPLMDNT-OAHLLOKOSA-N 0 0 411.845 4.204 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c[nH]nc1-c1ccccc1Cl ZINC000482879657 898494130 /nfs/dbraw/zinc/49/41/30/898494130.db2.gz MHGZKCWCPDOGFH-UHFFFAOYSA-N 0 0 405.241 4.264 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccccc1N1CCCCC1 ZINC000482936976 898558356 /nfs/dbraw/zinc/55/83/56/898558356.db2.gz UOYHNFCWXABOGS-OAHLLOKOSA-N 0 0 417.893 4.322 20 5 HIBDRN COCCN(Cc1sccc1Br)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000482944160 898568175 /nfs/dbraw/zinc/56/81/75/898568175.db2.gz KMEAZSHHGJHHLI-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN Cc1ccccc1[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000482967196 898598685 /nfs/dbraw/zinc/59/86/85/898598685.db2.gz WRPSDSYKCZEXGY-NRFANRHFSA-N 0 0 411.458 4.105 20 5 HIBDRN CCCC(=O)Nc1cccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 ZINC000482989622 898631729 /nfs/dbraw/zinc/63/17/29/898631729.db2.gz HJBPDJRUNABGBO-UHFFFAOYSA-N 0 0 403.460 4.316 20 5 HIBDRN COc1ccc(CSCC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000483057438 898732279 /nfs/dbraw/zinc/73/22/79/898732279.db2.gz CDZQXWGPWDXXMS-UHFFFAOYSA-N 0 0 406.891 4.296 20 5 HIBDRN O=C(Nc1cccc(CN2CCCCC2=O)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000483071087 898752462 /nfs/dbraw/zinc/75/24/62/898752462.db2.gz NWJXFTVHZWDTSF-UHFFFAOYSA-N 0 0 422.485 4.304 20 5 HIBDRN Cc1ccc(NCCCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000483074474 898756728 /nfs/dbraw/zinc/75/67/28/898756728.db2.gz DVGAIELZDJNIQP-KBPBESRZSA-N 0 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Cc1sc(NC(=O)c2cc3c(s2)CCOC3)nc1-c1cccc([N+](=O)[O-])c1 ZINC000483380047 899016034 /nfs/dbraw/zinc/01/60/34/899016034.db2.gz OWOSAEPVTVPWQS-UHFFFAOYSA-N 0 0 401.469 4.413 20 5 HIBDRN Cn1cc([C@@H]2CSCCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000483407390 899037837 /nfs/dbraw/zinc/03/78/37/899037837.db2.gz NCPNDDURAGXRKM-SFHVURJKSA-N 0 0 400.529 4.347 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(C)CCCOc2ccccc2C)cc1SC ZINC000483436243 899070292 /nfs/dbraw/zinc/07/02/92/899070292.db2.gz HWJITGLCSWJEGB-UHFFFAOYSA-N 0 0 404.488 4.175 20 5 HIBDRN CC(=O)Nc1ccc(CCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000505607471 914311661 /nfs/dbraw/zinc/31/16/61/914311661.db2.gz JNGHZHONJMOSRN-UHFFFAOYSA-N 0 0 403.438 4.439 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1SC ZINC000483444899 899079991 /nfs/dbraw/zinc/07/99/91/899079991.db2.gz ZCQUGBKKIMDJCZ-FOIQADDNSA-N 0 0 416.499 4.223 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1SC ZINC000483444904 899080210 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Cc1ccc(-c2csc(NC(=O)c3ccc(OC(F)F)cn3)n2)cc1[N+](=O)[O-] ZINC000484109150 899734279 /nfs/dbraw/zinc/73/42/79/899734279.db2.gz JMYVWJQETHVSHB-UHFFFAOYSA-N 0 0 406.370 4.275 20 5 HIBDRN Cc1nn([C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c(C)c1[N+](=O)[O-] ZINC000505695547 914384098 /nfs/dbraw/zinc/38/40/98/914384098.db2.gz VBJVSOJQXOGUKE-HNNXBMFYSA-N 0 0 421.295 4.156 20 5 HIBDRN COc1cc(CN[C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000484294577 899857741 /nfs/dbraw/zinc/85/77/41/899857741.db2.gz CAGSCESWFUGREB-HNNXBMFYSA-N 0 0 408.401 4.120 20 5 HIBDRN COc1cccc2c1N(C(=O)c1ccc(N3CCC(C)CC3)c([N+](=O)[O-])c1)CCC2 ZINC000484317583 899874806 /nfs/dbraw/zinc/87/48/06/899874806.db2.gz JJIADYZGLXUSLU-UHFFFAOYSA-N 0 0 409.486 4.433 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cccc1[N+](=O)[O-] ZINC000484343730 899893225 /nfs/dbraw/zinc/89/32/25/899893225.db2.gz MPFAYUBZQCKAOT-UHFFFAOYSA-N 0 0 403.398 4.428 20 5 HIBDRN COC(=O)[C@@](C)(NC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000484344148 899894401 /nfs/dbraw/zinc/89/44/01/899894401.db2.gz NHXHVUFWVQSDMZ-SFHVURJKSA-N 0 0 411.241 4.028 20 5 HIBDRN CCCOc1ccc(CN(Cc2ccccc2)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1 ZINC000484411379 899933512 /nfs/dbraw/zinc/93/35/12/899933512.db2.gz ZPKLQMSCTDTAIP-UHFFFAOYSA-N 0 0 408.458 4.258 20 5 HIBDRN COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000484434327 899942576 /nfs/dbraw/zinc/94/25/76/899942576.db2.gz CVMMYFMRFLBSTQ-CRAIPNDOSA-N 0 0 413.474 4.295 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000484444975 899949311 /nfs/dbraw/zinc/94/93/11/899949311.db2.gz VVPLXWSACZHICZ-CQSZACIVSA-N 0 0 409.417 4.398 20 5 HIBDRN COCC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000484482316 899974703 /nfs/dbraw/zinc/97/47/03/899974703.db2.gz ZCUVJSRBHPYHFF-UHFFFAOYSA-N 0 0 411.502 4.262 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000484571525 900040636 /nfs/dbraw/zinc/04/06/36/900040636.db2.gz UDCZKYFNMPFPOL-HOTGVXAUSA-N 0 0 401.463 4.012 20 5 HIBDRN COc1cc(C(=O)Nc2c3c(ccc2Cl)OCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000484586558 900051447 /nfs/dbraw/zinc/05/14/47/900051447.db2.gz SMMAHQHIFWBEIJ-UHFFFAOYSA-N 0 0 414.748 4.045 20 5 HIBDRN COc1cc(CSc2nnc(COc3ccc(Cl)cc3)n2C)ccc1[N+](=O)[O-] ZINC000484622881 900076452 /nfs/dbraw/zinc/07/64/52/900076452.db2.gz UEMOUXYWTLUYKM-UHFFFAOYSA-N 0 0 420.878 4.257 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000484639742 900088760 /nfs/dbraw/zinc/08/87/60/900088760.db2.gz PGLWEAUYWHYZMJ-UHFFFAOYSA-N 0 0 414.892 4.016 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000484648791 900094161 /nfs/dbraw/zinc/09/41/61/900094161.db2.gz RAWRGKZCTJQWCI-NXEZZACHSA-N 0 0 411.277 4.103 20 5 HIBDRN COc1ccc(N(CCC(C)C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000484654780 900100076 /nfs/dbraw/zinc/10/00/76/900100076.db2.gz RVTFUGFIMSBHLY-UHFFFAOYSA-N 0 0 402.447 4.314 20 5 HIBDRN Cc1ccc(F)c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1Br ZINC000484661529 900105947 /nfs/dbraw/zinc/10/59/47/900105947.db2.gz AEVKDQJPOYSQCW-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN Cc1ccccc1COc1cccc(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000484666094 900109090 /nfs/dbraw/zinc/10/90/90/900109090.db2.gz WQQORAPKQVNFAO-UHFFFAOYSA-N 0 0 417.465 4.483 20 5 HIBDRN CCOC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n1 ZINC000484669730 900111786 /nfs/dbraw/zinc/11/17/86/900111786.db2.gz OJTDQGFENUOAKG-UHFFFAOYSA-N 0 0 409.489 4.228 20 5 HIBDRN CN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000505738292 914416804 /nfs/dbraw/zinc/41/68/04/914416804.db2.gz POULWSMOJFUPKB-UHFFFAOYSA-N 0 0 402.472 4.160 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000484856824 900250366 /nfs/dbraw/zinc/25/03/66/900250366.db2.gz FWZPHVHDIQRQCW-CVEARBPZSA-N 0 0 418.490 4.428 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](c3ccccc3F)C2)cc1OC ZINC000484874324 900262222 /nfs/dbraw/zinc/26/22/22/900262222.db2.gz OFIFVDOTTSELMT-ZIAGYGMSSA-N 0 0 402.422 4.207 20 5 HIBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCC(=O)CC1 ZINC000484888482 900273468 /nfs/dbraw/zinc/27/34/68/900273468.db2.gz JSRGFDIXHMHNNN-DTQAZKPQSA-N 0 0 421.478 4.327 20 5 HIBDRN O=C(Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000505763228 914432892 /nfs/dbraw/zinc/43/28/92/914432892.db2.gz SRUGABFBCYFJBZ-UHFFFAOYSA-N 0 0 418.331 4.446 20 5 HIBDRN CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000485014393 900362393 /nfs/dbraw/zinc/36/23/93/900362393.db2.gz PGKUBBIFBSAAGA-UHFFFAOYSA-N 0 0 413.293 4.189 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccc(F)cc2Br)cccc1[N+](=O)[O-] ZINC000485022501 900368266 /nfs/dbraw/zinc/36/82/66/900368266.db2.gz HNRJUTGJNIOCTG-GFCCVEGCSA-N 0 0 424.270 4.264 20 5 HIBDRN CCN(Cc1ccc(OC)c(OC)c1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000485045171 900379828 /nfs/dbraw/zinc/37/98/28/900379828.db2.gz YWXGHXFDHKYPSG-CQSZACIVSA-N 0 0 412.446 4.245 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cc3ccccc3o2)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000485142649 900442991 /nfs/dbraw/zinc/44/29/91/900442991.db2.gz NMIYZMXMXXYGPF-UHFFFAOYSA-N 0 0 417.303 4.397 20 5 HIBDRN Cn1ccnc1[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 ZINC000485192231 900486835 /nfs/dbraw/zinc/48/68/35/900486835.db2.gz KAMLHDXTRSRQJN-AWEZNQCLSA-N 0 0 422.670 4.341 20 5 HIBDRN Cc1cc(-c2noc(CS(=O)(=O)[C@H](C)c3cc([N+](=O)[O-])ccc3C)n2)ccc1F ZINC000485229551 900514433 /nfs/dbraw/zinc/51/44/33/900514433.db2.gz IZCYRGAGJWMMIU-CYBMUJFWSA-N 0 0 419.434 4.077 20 5 HIBDRN Cc1[nH]nc(-c2ccccc2)c1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000485246061 900530639 /nfs/dbraw/zinc/53/06/39/900530639.db2.gz QHTDZBMVGFXUCN-UHFFFAOYSA-N 0 0 408.461 4.492 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(CC(F)F)c1ccccc1 ZINC000485251341 900536525 /nfs/dbraw/zinc/53/65/25/900536525.db2.gz KVRCTRHMEVREDT-UHFFFAOYSA-N 0 0 404.291 4.448 20 5 HIBDRN Cc1[nH]nc(-c2ccccc2)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000485251595 900536953 /nfs/dbraw/zinc/53/69/53/900536953.db2.gz MXNJPJAJBKUJAA-UHFFFAOYSA-N 0 0 415.247 4.237 20 5 HIBDRN C[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)NCc1ccc(F)cc1 ZINC000485268466 900550328 /nfs/dbraw/zinc/55/03/28/900550328.db2.gz HJKJYRSMIZCTBV-SNVBAGLBSA-N 0 0 413.268 4.293 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000485270326 900551715 /nfs/dbraw/zinc/55/17/15/900551715.db2.gz IJCCSQFUHVPHHT-GFCCVEGCSA-N 0 0 421.862 4.283 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1ccc(Br)s1 ZINC000485281205 900559425 /nfs/dbraw/zinc/55/94/25/900559425.db2.gz BTJWPTXZKCNLGX-JTQLQIEISA-N 0 0 404.307 4.403 20 5 HIBDRN CC(C)c1ccc([C@@H](NC(=O)CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000485353407 900648396 /nfs/dbraw/zinc/64/83/96/900648396.db2.gz YLSFXJONRMRMMT-NRFANRHFSA-N 0 0 418.515 4.005 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CSc1nnc(COc2ccc(Cl)cc2)n1C ZINC000485364606 900660160 /nfs/dbraw/zinc/66/01/60/900660160.db2.gz SAMPCEBJMGAVQI-UHFFFAOYSA-N 0 0 420.878 4.257 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000485376114 900672302 /nfs/dbraw/zinc/67/23/02/900672302.db2.gz GJFQOZQJOQFBDV-QGZVFWFLSA-N 0 0 412.364 4.378 20 5 HIBDRN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@H](CC)CN1C(C)=O ZINC000485395095 900692217 /nfs/dbraw/zinc/69/22/17/900692217.db2.gz CIPANWDMAMGLJT-QZTJIDSGSA-N 0 0 400.454 4.022 20 5 HIBDRN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H](CC)CN1C(C)=O ZINC000485395093 900692669 /nfs/dbraw/zinc/69/26/69/900692669.db2.gz CIPANWDMAMGLJT-MSOLQXFVSA-N 0 0 400.454 4.022 20 5 HIBDRN CNC(=O)CCOc1ccc(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cc1 ZINC000485411612 900709333 /nfs/dbraw/zinc/70/93/33/900709333.db2.gz IEBZZAKPMQXBEY-UHFFFAOYSA-N 0 0 410.405 4.054 20 5 HIBDRN C[C@@H](Cn1ncc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485418380 900716983 /nfs/dbraw/zinc/71/69/83/900716983.db2.gz UXHSINKNTQFKPS-AWEZNQCLSA-N 0 0 419.416 4.006 20 5 HIBDRN CN(CCc1cccc(Br)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000485444932 900740821 /nfs/dbraw/zinc/74/08/21/900740821.db2.gz IOTONZAVLJNFAI-UHFFFAOYSA-N 0 0 411.683 4.254 20 5 HIBDRN CCN(CC(C)(C)C)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000485447034 900741930 /nfs/dbraw/zinc/74/19/30/900741930.db2.gz XDQVWUPETAOPBJ-UHFFFAOYSA-N 0 0 407.492 4.147 20 5 HIBDRN Cc1ccnc(C)c1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000485474828 900768229 /nfs/dbraw/zinc/76/82/29/900768229.db2.gz ASYMWNRBCJAPQO-UHFFFAOYSA-N 0 0 422.407 4.481 20 5 HIBDRN CSc1cccc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1[N+](=O)[O-] ZINC000485485312 900777470 /nfs/dbraw/zinc/77/74/70/900777470.db2.gz ARNIYYGQMFUXBR-HNNXBMFYSA-N 0 0 424.425 4.132 20 5 HIBDRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000485488720 900779675 /nfs/dbraw/zinc/77/96/75/900779675.db2.gz JGAYTVJFOISNIW-UHFFFAOYSA-N 0 0 402.350 4.033 20 5 HIBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Oc1ccccc1Cl ZINC000485490885 900781368 /nfs/dbraw/zinc/78/13/68/900781368.db2.gz BABHCFAGGKOKRE-JTQLQIEISA-N 0 0 400.765 4.047 20 5 HIBDRN CSc1cccc(C(=O)NCC2(CCOCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000485492363 900781922 /nfs/dbraw/zinc/78/19/22/900781922.db2.gz NVGHCNSPZZQMAE-UHFFFAOYSA-N 0 0 400.500 4.434 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000485496403 900785430 /nfs/dbraw/zinc/78/54/30/900785430.db2.gz VGUOYRJVFMACHW-ROUUACIJSA-N 0 0 400.500 4.430 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000485496401 900785856 /nfs/dbraw/zinc/78/58/56/900785856.db2.gz VGUOYRJVFMACHW-QZTJIDSGSA-N 0 0 400.500 4.430 20 5 HIBDRN CSc1cccc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000485506253 900793276 /nfs/dbraw/zinc/79/32/76/900793276.db2.gz OFMWRQKTWSPKGJ-UHFFFAOYSA-N 0 0 421.478 4.499 20 5 HIBDRN CSc1cccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)c1[N+](=O)[O-] ZINC000485517359 900801588 /nfs/dbraw/zinc/80/15/88/900801588.db2.gz OVRRRJFEMCETEY-UHFFFAOYSA-N 0 0 404.513 4.082 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)cc1SC ZINC000485586963 900850882 /nfs/dbraw/zinc/85/08/82/900850882.db2.gz FSXVTBDVIMIVKY-ZDUSSCGKSA-N 0 0 414.405 4.401 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1[N+](=O)[O-] ZINC000485598991 900859754 /nfs/dbraw/zinc/85/97/54/900859754.db2.gz IGMDOMQUUAAAAW-QFIPXVFZSA-N 0 0 423.494 4.137 20 5 HIBDRN COc1cc(OCC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000485625047 900879762 /nfs/dbraw/zinc/87/97/62/900879762.db2.gz ILXSENCSQYQYKR-AQNXPRMDSA-N 0 0 410.470 4.167 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@H](COCC4CC4)C3)o2)c(Cl)c1 ZINC000485692727 900942020 /nfs/dbraw/zinc/94/20/20/900942020.db2.gz HSMXNCYCBYLQMK-KRWDZBQOSA-N 0 0 406.866 4.136 20 5 HIBDRN CSc1cccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)c1[N+](=O)[O-] ZINC000485751658 901006830 /nfs/dbraw/zinc/00/68/30/901006830.db2.gz LFZSGRSXRUYXBD-UHFFFAOYSA-N 0 0 407.879 4.361 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000485772446 901029330 /nfs/dbraw/zinc/02/93/30/901029330.db2.gz NEODGYNOSNZSCK-KXBFYZLASA-N 0 0 420.412 4.402 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000485781295 901036233 /nfs/dbraw/zinc/03/62/33/901036233.db2.gz DSVWWTGBEKCIHP-UHFFFAOYSA-N 0 0 400.385 4.382 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000485791011 901044040 /nfs/dbraw/zinc/04/40/40/901044040.db2.gz KPRLKDRKQMFOKJ-LBPRGKRZSA-N 0 0 409.364 4.080 20 5 HIBDRN CNC(=O)c1ccc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)nc1 ZINC000485807014 901057138 /nfs/dbraw/zinc/05/71/38/901057138.db2.gz RZTSFCVLMQSERA-UHFFFAOYSA-N 0 0 422.466 4.061 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCO[C@H](C2CC2)C1 ZINC000485809426 901058068 /nfs/dbraw/zinc/05/80/68/901058068.db2.gz BYRWCNADXMPQFA-PMACEKPBSA-N 0 0 415.877 4.039 20 5 HIBDRN O=C(C[C@H]1CCOC1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000485875725 901113115 /nfs/dbraw/zinc/11/31/15/901113115.db2.gz MGHDVABGMCLWJX-CYBMUJFWSA-N 0 0 408.813 4.222 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000485879360 901116077 /nfs/dbraw/zinc/11/60/77/901116077.db2.gz DXUDNRIYRYOLDN-LBPRGKRZSA-N 0 0 402.520 4.461 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3c(F)cccc3F)CC2)c(Cl)c1 ZINC000485935359 901157578 /nfs/dbraw/zinc/15/75/78/901157578.db2.gz RZBLVJFSKJZZCF-UHFFFAOYSA-N 0 0 416.833 4.095 20 5 HIBDRN COC(=O)c1cc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c(C)c([N+](=O)[O-])c1 ZINC000485937953 901159535 /nfs/dbraw/zinc/15/95/35/901159535.db2.gz DUVZKDSIWHJLOH-UHFFFAOYSA-N 0 0 401.806 4.006 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1C ZINC000485945288 901163969 /nfs/dbraw/zinc/16/39/69/901163969.db2.gz OCIGOKCRJHPEKK-UHFFFAOYSA-N 0 0 412.364 4.125 20 5 HIBDRN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)on1 ZINC000485945858 901166105 /nfs/dbraw/zinc/16/61/05/901166105.db2.gz REUTZRHOWQQSGX-UHFFFAOYSA-N 0 0 400.822 4.087 20 5 HIBDRN COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000485951814 901171133 /nfs/dbraw/zinc/17/11/33/901171133.db2.gz CHQNWMHQHVXUPG-INIZCTEOSA-N 0 0 412.490 4.171 20 5 HIBDRN CCS[C@H](C)c1noc(CN(C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000485979771 901198501 /nfs/dbraw/zinc/19/85/01/901198501.db2.gz PCLARGBCTPXUHG-NWDGAFQWSA-N 0 0 418.479 4.035 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2sc(-c3ccccc3)nc2C)c(C)c([N+](=O)[O-])c1 ZINC000485980651 901198614 /nfs/dbraw/zinc/19/86/14/901198614.db2.gz QPDZRKVTQRMWHJ-UHFFFAOYSA-N 0 0 411.439 4.374 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000485986680 901204786 /nfs/dbraw/zinc/20/47/86/901204786.db2.gz FGDWKTGSIKFOBR-UHFFFAOYSA-N 0 0 404.488 4.087 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000485991356 901209891 /nfs/dbraw/zinc/20/98/91/901209891.db2.gz UOLVPEGWDNFYKE-UHFFFAOYSA-N 0 0 401.369 4.038 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2ncnc3c2cnn3-c2ccccc2)cc(C(F)(F)F)c1 ZINC000486000450 901216594 /nfs/dbraw/zinc/21/65/94/901216594.db2.gz GEMGBTQABYERCV-UHFFFAOYSA-N 0 0 414.347 4.355 20 5 HIBDRN Cc1nnc(Sc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c(C)c2)s1 ZINC000505870848 914517778 /nfs/dbraw/zinc/51/77/78/914517778.db2.gz CTWNNXADJQWOFD-UHFFFAOYSA-N 0 0 400.485 4.396 20 5 HIBDRN Cc1cc([C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000486069076 901262211 /nfs/dbraw/zinc/26/22/11/901262211.db2.gz APQIYQQVPCTEBQ-KRWDZBQOSA-N 0 0 423.238 4.019 20 5 HIBDRN O=C(c1cc(F)c(F)cc1Br)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486072444 901264792 /nfs/dbraw/zinc/26/47/92/901264792.db2.gz WNCUUCBMKMUIOH-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN CCOc1c(Cl)cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC ZINC000486091445 901279832 /nfs/dbraw/zinc/27/98/32/901279832.db2.gz BFDUNDVFBHQANH-UHFFFAOYSA-N 0 0 404.850 4.460 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000486104566 901291762 /nfs/dbraw/zinc/29/17/62/901291762.db2.gz WRTQDGKTSOJUDU-RTBURBONSA-N 0 0 410.470 4.063 20 5 HIBDRN CSc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])OCCO2 ZINC000505877827 914523785 /nfs/dbraw/zinc/52/37/85/914523785.db2.gz NLIINASPQKHPJJ-JTQLQIEISA-N 0 0 424.862 4.147 20 5 HIBDRN CC(C)C[C@@H]1C[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCO1 ZINC000486146190 901333512 /nfs/dbraw/zinc/33/35/12/901333512.db2.gz RIUHBQUGQDHEMB-AZUAARDMSA-N 0 0 412.486 4.497 20 5 HIBDRN CCOc1cc(NC(=O)Nc2ccc(O)cc2SC)c([N+](=O)[O-])cc1OCC ZINC000486157713 901344566 /nfs/dbraw/zinc/34/45/66/901344566.db2.gz NGVJXXBNVNFZBM-UHFFFAOYSA-N 0 0 407.448 4.464 20 5 HIBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC000486169797 901356482 /nfs/dbraw/zinc/35/64/82/901356482.db2.gz YTHRLQZJSCPSKS-UHFFFAOYSA-N 0 0 415.858 4.200 20 5 HIBDRN COc1cc(CNc2cc(Cl)ccc2C(=O)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000486171349 901357231 /nfs/dbraw/zinc/35/72/31/901357231.db2.gz FTYAEPLPIRVDLW-UHFFFAOYSA-N 0 0 403.866 4.495 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)c1[N+](=O)[O-] ZINC000486195793 901380334 /nfs/dbraw/zinc/38/03/34/901380334.db2.gz UTGWTGNWHKXISD-CQSZACIVSA-N 0 0 403.504 4.455 20 5 HIBDRN COC(=O)c1cc(NCc2nc(-c3cccc(Cl)c3)no2)c(C)c([N+](=O)[O-])c1 ZINC000486196619 901381894 /nfs/dbraw/zinc/38/18/94/901381894.db2.gz VDJGIWDOZAXPTL-UHFFFAOYSA-N 0 0 402.794 4.005 20 5 HIBDRN COc1cc(CNc2ccccc2CS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000486200635 901384942 /nfs/dbraw/zinc/38/49/42/901384942.db2.gz XNJQJOJWLPGXRU-UHFFFAOYSA-N 0 0 412.467 4.189 20 5 HIBDRN CSc1cccc(C(=O)N2CCc3cccc(Br)c3C2)c1[N+](=O)[O-] ZINC000486203640 901388119 /nfs/dbraw/zinc/38/81/19/901388119.db2.gz HPGNDXMAHZDSMT-UHFFFAOYSA-N 0 0 407.289 4.278 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000486224758 901408761 /nfs/dbraw/zinc/40/87/61/901408761.db2.gz TYNJHLTWLYUPJX-GHMZBOCLSA-N 0 0 413.400 4.092 20 5 HIBDRN CSc1cccc(C(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)c1[N+](=O)[O-] ZINC000486232190 901414497 /nfs/dbraw/zinc/41/44/97/901414497.db2.gz NSLUSVSCUUYTHD-CYBMUJFWSA-N 0 0 421.469 4.114 20 5 HIBDRN COC(=O)CCSCc1cccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC000486234403 901417453 /nfs/dbraw/zinc/41/74/53/901417453.db2.gz XKGVCQJXGGAEOR-UHFFFAOYSA-N 0 0 420.512 4.365 20 5 HIBDRN CSc1cccc(C(=O)Nc2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000486237145 901419314 /nfs/dbraw/zinc/41/93/14/901419314.db2.gz WVZLTEMUFNRLPU-GJZGRUSLSA-N 0 0 415.515 4.178 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000486282890 901466593 /nfs/dbraw/zinc/46/65/93/901466593.db2.gz LAVSEXCFQGNXBN-UHFFFAOYSA-N 0 0 417.387 4.442 20 5 HIBDRN COc1ccc([C@H](NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(F)(F)F)cc1 ZINC000505895077 914537770 /nfs/dbraw/zinc/53/77/70/914537770.db2.gz GXSYBTRNWOLGJP-SFHVURJKSA-N 0 0 411.380 4.134 20 5 HIBDRN Cc1cn2c(n1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)CCC2 ZINC000505903673 914545357 /nfs/dbraw/zinc/54/53/57/914545357.db2.gz JOYORZXTEZBLIT-MRXNPFEDSA-N 0 0 406.442 4.199 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)cc2)n1 ZINC000486410859 901570084 /nfs/dbraw/zinc/57/00/84/901570084.db2.gz VBWOQWAAGFLIHU-AWEZNQCLSA-N 0 0 414.412 4.095 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000486421449 901579492 /nfs/dbraw/zinc/57/94/92/901579492.db2.gz UVYSPAKZHYRCEQ-CYBMUJFWSA-N 0 0 421.881 4.258 20 5 HIBDRN CCN(CCc1nccs1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486450847 901610209 /nfs/dbraw/zinc/61/02/09/901610209.db2.gz MKCNQFWXQJDRGH-UHFFFAOYSA-N 0 0 411.483 4.335 20 5 HIBDRN CCOC(=O)c1ccnc(N[C@H]2CSc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000486467402 901629841 /nfs/dbraw/zinc/62/98/41/901629841.db2.gz MKBLQSRDQICQFT-LBPRGKRZSA-N 0 0 424.276 4.188 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)c1[N+](=O)[O-] ZINC000486482593 901640740 /nfs/dbraw/zinc/64/07/40/901640740.db2.gz NSVQSBLLKBRZTJ-UHFFFAOYSA-N 0 0 400.504 4.022 20 5 HIBDRN CCc1nc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cs1 ZINC000486518933 901670269 /nfs/dbraw/zinc/67/02/69/901670269.db2.gz ZBTNOSNCHSCDSI-UHFFFAOYSA-N 0 0 411.483 4.165 20 5 HIBDRN CC(C)(C)CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000486597663 901735854 /nfs/dbraw/zinc/73/58/54/901735854.db2.gz ICDVZTBIYICMRY-UHFFFAOYSA-N 0 0 411.458 4.362 20 5 HIBDRN CC[C@@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000486610153 901746438 /nfs/dbraw/zinc/74/64/38/901746438.db2.gz ZYQCPXPQXXVJTA-OAHLLOKOSA-N 0 0 411.227 4.386 20 5 HIBDRN CC(C)C(=O)Nc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000486700018 901801599 /nfs/dbraw/zinc/80/15/99/901801599.db2.gz YOYKKQNACPLMIR-UHFFFAOYSA-N 0 0 409.364 4.138 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000486708627 901805465 /nfs/dbraw/zinc/80/54/65/901805465.db2.gz JNJZQBCUPAXKCQ-QWHCGFSZSA-N 0 0 418.293 4.451 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000486709304 901805503 /nfs/dbraw/zinc/80/55/03/901805503.db2.gz QWBDNLZESZSQND-ZFWWWQNUSA-N 0 0 400.303 4.312 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000486708618 901805506 /nfs/dbraw/zinc/80/55/06/901805506.db2.gz JNJZQBCUPAXKCQ-CHWSQXEVSA-N 0 0 418.293 4.451 20 5 HIBDRN Cc1c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnn1-c1cccc(C)c1 ZINC000486719393 901811546 /nfs/dbraw/zinc/81/15/46/901811546.db2.gz BHJAVVHLWZKMKV-UHFFFAOYSA-N 0 0 418.375 4.346 20 5 HIBDRN COc1cc(C2(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)ccc1C ZINC000486733306 901820504 /nfs/dbraw/zinc/82/05/04/901820504.db2.gz RXGJXYWRHBFDHG-UHFFFAOYSA-N 0 0 408.376 4.279 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(F)ccc1Br ZINC000486740362 901824346 /nfs/dbraw/zinc/82/43/46/901824346.db2.gz VGDOPFGXTJGOIY-UHFFFAOYSA-N 0 0 421.144 4.445 20 5 HIBDRN Cc1c(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cccc1[N+](=O)[O-] ZINC000486798729 901860797 /nfs/dbraw/zinc/86/07/97/901860797.db2.gz SQOHPMCXBUUUIV-HNNXBMFYSA-N 0 0 404.426 4.042 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@](C)=O)c1 ZINC000486801337 901863177 /nfs/dbraw/zinc/86/31/77/901863177.db2.gz CKVIIEFRLKQSGV-MHZLTWQESA-N 0 0 406.529 4.474 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000486805973 901864413 /nfs/dbraw/zinc/86/44/13/901864413.db2.gz SUDHFVJDERSIIP-HZPDHXFCSA-N 0 0 421.563 4.156 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000486821501 901874826 /nfs/dbraw/zinc/87/48/26/901874826.db2.gz SEEMZRAHXRHRKG-JLTOFOAXSA-N 0 0 411.845 4.316 20 5 HIBDRN CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)s1 ZINC000486857945 901903563 /nfs/dbraw/zinc/90/35/63/901903563.db2.gz LGYVXMMJZHMHKU-GFCCVEGCSA-N 0 0 420.491 4.242 20 5 HIBDRN COC(=O)c1cc(NC(=O)NCc2c(OC)ccc3ccccc32)c(C)c([N+](=O)[O-])c1 ZINC000486859945 901905236 /nfs/dbraw/zinc/90/52/36/901905236.db2.gz QRWSZZQGMPFYQJ-UHFFFAOYSA-N 0 0 423.425 4.173 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c(C)c([N+](=O)[O-])c1 ZINC000486875119 901921191 /nfs/dbraw/zinc/92/11/91/901921191.db2.gz QNAHNTFVZBAFHR-OAHLLOKOSA-N 0 0 403.822 4.152 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486878252 901923741 /nfs/dbraw/zinc/92/37/41/901923741.db2.gz HOMYMYOTVFOJIB-AWEZNQCLSA-N 0 0 417.384 4.132 20 5 HIBDRN COC(=O)c1cc(NC(=O)Nc2ccc(F)cc2OC(C)C)c(C)c([N+](=O)[O-])c1 ZINC000486879476 901925237 /nfs/dbraw/zinc/92/52/37/901925237.db2.gz BCZCFEZMBMLZSD-UHFFFAOYSA-N 0 0 405.382 4.260 20 5 HIBDRN COC(=O)c1cc(NC(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000486880191 901925310 /nfs/dbraw/zinc/92/53/10/901925310.db2.gz KHZNBTQWYILCQV-YPMHNXCESA-N 0 0 417.384 4.180 20 5 HIBDRN O=[N+]([O-])c1sc(N[C@H]2CCOC3(CCC3)C2)nc1N[C@H]1CCOC2(CCC2)C1 ZINC000486904284 901950321 /nfs/dbraw/zinc/95/03/21/901950321.db2.gz KVDZMWQHDOGDHG-KBPBESRZSA-N 0 0 408.524 4.079 20 5 HIBDRN O=[N+]([O-])c1sc(N[C@H]2CCOC3(CCC3)C2)nc1N[C@@H]1CCOC2(CCC2)C1 ZINC000486904286 901950745 /nfs/dbraw/zinc/95/07/45/901950745.db2.gz KVDZMWQHDOGDHG-KGLIPLIRSA-N 0 0 408.524 4.079 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000486912005 901958955 /nfs/dbraw/zinc/95/89/55/901958955.db2.gz OQDISJFUBKYMHN-UHFFFAOYSA-N 0 0 422.403 4.368 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000486943390 901981249 /nfs/dbraw/zinc/98/12/49/901981249.db2.gz WMIPEQJNQGQCRB-MRXNPFEDSA-N 0 0 408.813 4.200 20 5 HIBDRN O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000486992768 902007456 /nfs/dbraw/zinc/00/74/56/902007456.db2.gz BAWCJKOCARHSJO-UHFFFAOYSA-N 0 0 408.483 4.096 20 5 HIBDRN C[C@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000487023133 902021134 /nfs/dbraw/zinc/02/11/34/902021134.db2.gz ROQZEWPMYBBDFV-CYBMUJFWSA-N 0 0 410.396 4.167 20 5 HIBDRN Cc1cccc(COc2cccc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2)c1 ZINC000487044132 902037995 /nfs/dbraw/zinc/03/79/95/902037995.db2.gz NYNUQWSPDYAVAM-UHFFFAOYSA-N 0 0 420.469 4.156 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(NCc3nccn3CCCc3ccccc3)n2)cc1 ZINC000487087687 902052585 /nfs/dbraw/zinc/05/25/85/902052585.db2.gz PBYNOLCKZLBTCO-UHFFFAOYSA-N 0 0 404.430 4.086 20 5 HIBDRN Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000487109417 902061465 /nfs/dbraw/zinc/06/14/65/902061465.db2.gz GWBUERSIHKWUBJ-GFCCVEGCSA-N 0 0 402.394 4.103 20 5 HIBDRN O=C(c1ccc(N[C@H]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000487122873 902067142 /nfs/dbraw/zinc/06/71/42/902067142.db2.gz YBGLDXCLAVCULM-QUCCMNQESA-N 0 0 409.486 4.206 20 5 HIBDRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000487137428 902069684 /nfs/dbraw/zinc/06/96/84/902069684.db2.gz MMSACEWJSFXUSZ-GFCCVEGCSA-N 0 0 413.293 4.014 20 5 HIBDRN COCCN(C(=O)c1cscc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000487190709 902094189 /nfs/dbraw/zinc/09/41/89/902094189.db2.gz DQLDWTVTLLTSPP-UHFFFAOYSA-N 0 0 403.485 4.381 20 5 HIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1S[C@@H]1CCN(c2ccccc2F)C1=O ZINC000487220684 902106258 /nfs/dbraw/zinc/10/62/58/902106258.db2.gz QCLAHHQRWDLOMB-HXUWFJFHSA-N 0 0 419.481 4.123 20 5 HIBDRN Cc1ccc(-n2cnc3c2CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C3)cc1 ZINC000487424908 902204083 /nfs/dbraw/zinc/20/40/83/902204083.db2.gz BDUKLOYMHOIONW-QGZVFWFLSA-N 0 0 419.485 4.226 20 5 HIBDRN Cn1cc(C(=O)Nc2ccc(Oc3ccccc3)cn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000487451366 902214926 /nfs/dbraw/zinc/21/49/26/902214926.db2.gz SMMKCVVWXURGPA-UHFFFAOYSA-N 0 0 415.409 4.435 20 5 HIBDRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000487468350 902220110 /nfs/dbraw/zinc/22/01/10/902220110.db2.gz CYZVZXZCFNRVIS-UHFFFAOYSA-N 0 0 406.460 4.391 20 5 HIBDRN Cc1cc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)s2)ccc1Br ZINC000487509515 902227397 /nfs/dbraw/zinc/22/73/97/902227397.db2.gz NGGKGVIHKWVKKK-UHFFFAOYSA-N 0 0 421.276 4.293 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000487514243 902230258 /nfs/dbraw/zinc/23/02/58/902230258.db2.gz ZRNPUZDTMHCFQE-UHFFFAOYSA-N 0 0 423.560 4.060 20 5 HIBDRN CCc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)onc1C(F)(F)F ZINC000505954208 914608788 /nfs/dbraw/zinc/60/87/88/914608788.db2.gz SMHGFHHEFNNULI-UHFFFAOYSA-N 0 0 408.130 4.179 20 5 HIBDRN Cc1sc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)nc1-c1ccc(F)cc1 ZINC000487644355 902269793 /nfs/dbraw/zinc/26/97/93/902269793.db2.gz IEDJBMBBCYOADG-UHFFFAOYSA-N 0 0 401.375 4.147 20 5 HIBDRN CCOC(=O)c1csc(C2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)n1 ZINC000487721872 902317163 /nfs/dbraw/zinc/31/71/63/902317163.db2.gz DRMLOKBACLRFPF-UHFFFAOYSA-N 0 0 412.471 4.160 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487722783 902318350 /nfs/dbraw/zinc/31/83/50/902318350.db2.gz AWILUJIZZBKKDU-KDOFPFPSSA-N 0 0 406.385 4.094 20 5 HIBDRN COCCCn1ccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000487725895 902319891 /nfs/dbraw/zinc/31/98/91/902319891.db2.gz XDPKJGRVWKNPKW-UHFFFAOYSA-N 0 0 412.471 4.231 20 5 HIBDRN Cn1cc([C@@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C(F)(F)F)cn1 ZINC000487734777 902327671 /nfs/dbraw/zinc/32/76/71/902327671.db2.gz XKNHWQDNDFNJJH-QGZVFWFLSA-N 0 0 419.363 4.105 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCOC2(CCCCC2)C1 ZINC000487773718 902356745 /nfs/dbraw/zinc/35/67/45/902356745.db2.gz PTILWXLPPPWXOD-UHFFFAOYSA-N 0 0 409.486 4.382 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1SCCc2ccccc21 ZINC000487826165 902391237 /nfs/dbraw/zinc/39/12/37/902391237.db2.gz UCQPMFBLIBDFFD-SFHVURJKSA-N 0 0 406.891 4.164 20 5 HIBDRN CC(C)Cn1ncc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C1CC1 ZINC000487833454 902395821 /nfs/dbraw/zinc/39/58/21/902395821.db2.gz GTURQPMCZNWBGJ-GFCCVEGCSA-N 0 0 405.886 4.417 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000487887241 902429778 /nfs/dbraw/zinc/42/97/78/902429778.db2.gz YIKGQDQJQIJIGE-XIKOKIGWSA-N 0 0 406.891 4.162 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000487916180 902449735 /nfs/dbraw/zinc/44/97/35/902449735.db2.gz QLSMBUDIOMFWGT-QFIPXVFZSA-N 0 0 423.444 4.097 20 5 HIBDRN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)c1ccc(Cl)cc1Cl ZINC000487922227 902453280 /nfs/dbraw/zinc/45/32/80/902453280.db2.gz SASODMFKMWDOMD-LLVKDONJSA-N 0 0 420.252 4.094 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000487976361 902500401 /nfs/dbraw/zinc/50/04/01/902500401.db2.gz GSYCWYAJVYDTBL-UHFFFAOYSA-N 0 0 401.426 4.195 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] ZINC000487984525 902506129 /nfs/dbraw/zinc/50/61/29/902506129.db2.gz ZAWZAVNVZZESGR-NSHDSACASA-N 0 0 420.347 4.463 20 5 HIBDRN COc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 ZINC000487984632 902508926 /nfs/dbraw/zinc/50/89/26/902508926.db2.gz CARBWWOOESLSSU-HNNXBMFYSA-N 0 0 409.442 4.377 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000488013535 902535195 /nfs/dbraw/zinc/53/51/95/902535195.db2.gz KSXSXVGSJUUBLU-CQSZACIVSA-N 0 0 423.300 4.322 20 5 HIBDRN CN(Cc1ccc(Cl)c(F)c1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488017208 902537203 /nfs/dbraw/zinc/53/72/03/902537203.db2.gz XMYXHPUINAKNEM-UHFFFAOYSA-N 0 0 400.237 4.425 20 5 HIBDRN Cc1c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnn1-c1ccc(OC(C)C)cc1 ZINC000488033734 902551983 /nfs/dbraw/zinc/55/19/83/902551983.db2.gz REBNYQXVNNBEEX-HNNXBMFYSA-N 0 0 423.473 4.071 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000488039958 902555989 /nfs/dbraw/zinc/55/59/89/902555989.db2.gz JQTHLDXDTASKIB-AEFFLSMTSA-N 0 0 410.474 4.025 20 5 HIBDRN CC(C)(NC(=O)NCc1ccc(F)cc1Br)c1ccccc1[N+](=O)[O-] ZINC000488036895 902556448 /nfs/dbraw/zinc/55/64/48/902556448.db2.gz BYYHIEOLHCZESZ-UHFFFAOYSA-N 0 0 410.243 4.231 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)CCC(=O)CCC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000488042096 902557568 /nfs/dbraw/zinc/55/75/68/902557568.db2.gz JPJIYPVYYFDYCT-CQSZACIVSA-N 0 0 402.472 4.154 20 5 HIBDRN CCOc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000488042345 902558290 /nfs/dbraw/zinc/55/82/90/902558290.db2.gz KTRLYCBPKNHFIC-OAHLLOKOSA-N 0 0 424.457 4.162 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)CCOc2ccccc2Br)cc1[N+](=O)[O-] ZINC000488045965 902561744 /nfs/dbraw/zinc/56/17/44/902561744.db2.gz SYCGNPAEYHALON-ZDUSSCGKSA-N 0 0 407.264 4.312 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)CC(C)C)cc1[N+](=O)[O-] ZINC000488076172 902585410 /nfs/dbraw/zinc/58/54/10/902585410.db2.gz DUESZCVOBDZJAQ-JTSKRJEESA-N 0 0 423.513 4.080 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)cc1[N+](=O)[O-] ZINC000488076174 902585851 /nfs/dbraw/zinc/58/58/51/902585851.db2.gz DUESZCVOBDZJAQ-VGOFRKELSA-N 0 0 423.513 4.080 20 5 HIBDRN CC1(C)C[C@H]1CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000488081520 902589101 /nfs/dbraw/zinc/58/91/01/902589101.db2.gz ZEGJPBWDFKSSPA-SFHVURJKSA-N 0 0 404.470 4.152 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1[N+](=O)[O-] ZINC000488082592 902589308 /nfs/dbraw/zinc/58/93/08/902589308.db2.gz YHAVQAFNBJISSF-OAHLLOKOSA-N 0 0 419.437 4.285 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1[N+](=O)[O-] ZINC000488088448 902593105 /nfs/dbraw/zinc/59/31/05/902593105.db2.gz XXYXKCXUYJANMZ-OAHLLOKOSA-N 0 0 402.878 4.482 20 5 HIBDRN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488093279 902598499 /nfs/dbraw/zinc/59/84/99/902598499.db2.gz SSMMZNOCEHJEPU-ZDUSSCGKSA-N 0 0 411.849 4.047 20 5 HIBDRN CCCCn1ccnc1-c1cccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000488149837 902643287 /nfs/dbraw/zinc/64/32/87/902643287.db2.gz OHJYTJDXIRXSTD-UHFFFAOYSA-N 0 0 408.414 4.239 20 5 HIBDRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000488171859 902661173 /nfs/dbraw/zinc/66/11/73/902661173.db2.gz PKAIDNXBIKVVMO-PMERELPUSA-N 0 0 424.478 4.397 20 5 HIBDRN COc1c(F)cc(S(=O)(=O)Nc2ccc(COC3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000488222803 902703762 /nfs/dbraw/zinc/70/37/62/902703762.db2.gz PPWHIGGQTZUIAY-UHFFFAOYSA-N 0 0 424.450 4.003 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000488229776 902706949 /nfs/dbraw/zinc/70/69/49/902706949.db2.gz FISPHRKFYGKPQZ-UHFFFAOYSA-N 0 0 403.316 4.381 20 5 HIBDRN CCOCCN(CC)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000488241751 902716547 /nfs/dbraw/zinc/71/65/47/902716547.db2.gz YNDPFMQFUXWYRB-UHFFFAOYSA-N 0 0 405.882 4.359 20 5 HIBDRN CCn1ncc2ccc(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc21 ZINC000488343223 902777653 /nfs/dbraw/zinc/77/76/53/902777653.db2.gz DBSODAJPSJCRLQ-UHFFFAOYSA-N 0 0 407.352 4.305 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000488388685 902798712 /nfs/dbraw/zinc/79/87/12/902798712.db2.gz HLUYKBLAFJLKTH-OAQYLSRUSA-N 0 0 417.893 4.269 20 5 HIBDRN CC[C@@H](CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])Oc1cccc(C)c1 ZINC000488404830 902812068 /nfs/dbraw/zinc/81/20/68/902812068.db2.gz HDTKETGFAAVQOV-ZDUSSCGKSA-N 0 0 424.400 4.101 20 5 HIBDRN CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000488407181 902813013 /nfs/dbraw/zinc/81/30/13/902813013.db2.gz PMJZFNYZHJHMDX-HXUWFJFHSA-N 0 0 421.856 4.099 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3ccc(Cl)cc3Cl)CC2)n1 ZINC000488428390 902822390 /nfs/dbraw/zinc/82/23/90/902822390.db2.gz HKUMWVCCIWMZJU-UHFFFAOYSA-N 0 0 410.257 4.467 20 5 HIBDRN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488432921 902824558 /nfs/dbraw/zinc/82/45/58/902824558.db2.gz UNBOBKIFNHSLHC-JTQLQIEISA-N 0 0 407.398 4.167 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000488480191 902847761 /nfs/dbraw/zinc/84/77/61/902847761.db2.gz GZJNMIXYFRKNQS-CQSZACIVSA-N 0 0 411.487 4.121 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(CCc1ccccc1F)C1CCCC1 ZINC000488491739 902852638 /nfs/dbraw/zinc/85/26/38/902852638.db2.gz QXWZGKSWZTULCJ-UHFFFAOYSA-N 0 0 400.406 4.090 20 5 HIBDRN CC(C)(NC(=O)NCc1ccc(Br)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000488491144 902852941 /nfs/dbraw/zinc/85/29/41/902852941.db2.gz CPTBAYRQHCERAZ-UHFFFAOYSA-N 0 0 410.243 4.231 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000488499672 902856925 /nfs/dbraw/zinc/85/69/25/902856925.db2.gz ZYBBCCKQPYMOSY-UHFFFAOYSA-N 0 0 400.406 4.090 20 5 HIBDRN CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1F ZINC000488574541 902888569 /nfs/dbraw/zinc/88/85/69/902888569.db2.gz RCTPETOYEWQQBZ-UHFFFAOYSA-N 0 0 423.420 4.116 20 5 HIBDRN 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ZINC000506008766 914682023 /nfs/dbraw/zinc/68/20/23/914682023.db2.gz PKKUPOWXZJMEDP-HXUWFJFHSA-N 0 0 424.501 4.041 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000488883018 903057544 /nfs/dbraw/zinc/05/75/44/903057544.db2.gz WBNLGRISUDYHID-ZDUSSCGKSA-N 0 0 415.519 4.173 20 5 HIBDRN Cn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(Cl)c1 ZINC000488903755 903068396 /nfs/dbraw/zinc/06/83/96/903068396.db2.gz YWAUSHFTKGDLRT-UHFFFAOYSA-N 0 0 417.878 4.165 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2ccc(F)c(F)c2C1 ZINC000489005323 903115262 /nfs/dbraw/zinc/11/52/62/903115262.db2.gz DLMSZVNJAPOKDW-UHFFFAOYSA-N 0 0 401.394 4.195 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(CCO)[C@H]1CCCc2ccccc21 ZINC000489018949 903123764 /nfs/dbraw/zinc/12/37/64/903123764.db2.gz XTUMZKTYOQCOTI-KRWDZBQOSA-N 0 0 421.400 4.100 20 5 HIBDRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000489031563 903137223 /nfs/dbraw/zinc/13/72/23/903137223.db2.gz 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ZINC000489444500 903386666 /nfs/dbraw/zinc/38/66/66/903386666.db2.gz YUOJJFZYHALXNC-UHFFFAOYSA-N 0 0 416.434 4.091 20 5 HIBDRN O=[N+]([O-])c1cccc(OCCSc2nnc(-c3ccco3)n2Cc2ccco2)c1 ZINC000489444443 903386912 /nfs/dbraw/zinc/38/69/12/903386912.db2.gz XSGLRRLFIRUPKJ-UHFFFAOYSA-N 0 0 412.427 4.259 20 5 HIBDRN O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000489630731 903507657 /nfs/dbraw/zinc/50/76/57/903507657.db2.gz GELPVYRRBKZEQF-GOSISDBHSA-N 0 0 411.845 4.164 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccnc(Oc2ccccc2F)c1 ZINC000489654057 903520324 /nfs/dbraw/zinc/52/03/24/903520324.db2.gz UVIKRSCLSRYYIK-UHFFFAOYSA-N 0 0 413.430 4.330 20 5 HIBDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000489757168 903582085 /nfs/dbraw/zinc/58/20/85/903582085.db2.gz WZKGPCYBAGEDQP-FQEVSTJZSA-N 0 0 421.501 4.384 20 5 HIBDRN CCCC(=O)Nc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000489877479 903647985 /nfs/dbraw/zinc/64/79/85/903647985.db2.gz ZAOPCCOSXYMJEH-UHFFFAOYSA-N 0 0 410.474 4.208 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000489883490 903651400 /nfs/dbraw/zinc/65/14/00/903651400.db2.gz LSPIKVCOSZXVCE-OAQYLSRUSA-N 0 0 412.392 4.352 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000489898127 903658335 /nfs/dbraw/zinc/65/83/35/903658335.db2.gz GTAVODYXPQNNKT-IUODEOHRSA-N 0 0 420.453 4.432 20 5 HIBDRN CC(C)Oc1c(Cl)cccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000489901516 903661212 /nfs/dbraw/zinc/66/12/12/903661212.db2.gz RGNLDYQVLSOOQM-UHFFFAOYSA-N 0 0 400.822 4.473 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000489901447 903661239 /nfs/dbraw/zinc/66/12/39/903661239.db2.gz QVQPSXBYSAGNPZ-UHFFFAOYSA-N 0 0 417.878 4.252 20 5 HIBDRN C[C@@H](NC(=O)NC1(Cc2ccccc2Br)CC1)c1ccccc1[N+](=O)[O-] ZINC000489909878 903667256 /nfs/dbraw/zinc/66/72/56/903667256.db2.gz HLBDCEPNFFPHRR-CYBMUJFWSA-N 0 0 418.291 4.493 20 5 HIBDRN 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Cc1nn(Cc2ccc(C(=O)NCc3ccc(Cl)cc3F)cc2)c(C)c1[N+](=O)[O-] ZINC000490005926 903721122 /nfs/dbraw/zinc/72/11/22/903721122.db2.gz RGPXUPMGYYGJGZ-UHFFFAOYSA-N 0 0 416.840 4.179 20 5 HIBDRN Cc1cc(Br)c2c(c1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000490048686 903742007 /nfs/dbraw/zinc/74/20/07/903742007.db2.gz ZWDQOKGIPIJVLF-UHFFFAOYSA-N 0 0 403.276 4.102 20 5 HIBDRN CO[C@@H](C)c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cs1 ZINC000490098224 903768444 /nfs/dbraw/zinc/76/84/44/903768444.db2.gz USPHJFATQXJOCV-LBPRGKRZSA-N 0 0 409.533 4.437 20 5 HIBDRN CO[C@H](C)c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cs1 ZINC000490098222 903768932 /nfs/dbraw/zinc/76/89/32/903768932.db2.gz USPHJFATQXJOCV-GFCCVEGCSA-N 0 0 409.533 4.437 20 5 HIBDRN COc1ccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000490162586 903802998 /nfs/dbraw/zinc/80/29/98/903802998.db2.gz ADMSYBVMVIKROH-OAQYLSRUSA-N 0 0 408.454 4.500 20 5 HIBDRN CC(C)CCn1ncc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1C(C)C ZINC000490180486 903812460 /nfs/dbraw/zinc/81/24/60/903812460.db2.gz KJQZFZGOGKASMG-UHFFFAOYSA-N 0 0 410.478 4.399 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000490205360 903827628 /nfs/dbraw/zinc/82/76/28/903827628.db2.gz WZZYSMPMKFKTJM-LJQANCHMSA-N 0 0 418.457 4.352 20 5 HIBDRN CCNC(=O)Nc1ccc(C)c(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000490295111 903883074 /nfs/dbraw/zinc/88/30/74/903883074.db2.gz ZSPFKCXDFSRXBS-UHFFFAOYSA-N 0 0 419.869 4.062 20 5 HIBDRN CCOc1cc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000490314678 903895808 /nfs/dbraw/zinc/89/58/08/903895808.db2.gz IATMVHLWSQOJNI-UHFFFAOYSA-N 0 0 424.335 4.150 20 5 HIBDRN COc1cc(CNc2ccccc2-n2ccc(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490361439 903954473 /nfs/dbraw/zinc/95/44/73/903954473.db2.gz DPXIORBHPBMHGG-UHFFFAOYSA-N 0 0 418.400 4.354 20 5 HIBDRN O=C(Nc1nnc(/C=C\c2ccco2)s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000490371138 903964142 /nfs/dbraw/zinc/96/41/42/903964142.db2.gz 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MGNSYTWDVJIXQA-UHFFFAOYSA-N 0 0 402.472 4.180 20 5 HIBDRN CCC1(CO)CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000491232351 904492414 /nfs/dbraw/zinc/49/24/14/904492414.db2.gz LGZVIALSRANMLS-NRFANRHFSA-N 0 0 411.502 4.068 20 5 HIBDRN CO[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000491331135 904540748 /nfs/dbraw/zinc/54/07/48/904540748.db2.gz DTDSBOZYRQNYOC-IBGZPJMESA-N 0 0 403.866 4.310 20 5 HIBDRN O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000491373014 904564306 /nfs/dbraw/zinc/56/43/06/904564306.db2.gz HYCIUVVLMAMPQC-UHFFFAOYSA-N 0 0 423.376 4.330 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1nc(Cc2ccccc2)no1 ZINC000491396863 904577058 /nfs/dbraw/zinc/57/70/58/904577058.db2.gz QMNJNRLSBFCBKW-HNNXBMFYSA-N 0 0 421.457 4.004 20 5 HIBDRN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491397578 904577410 /nfs/dbraw/zinc/57/74/10/904577410.db2.gz UPBNSSURCJYMBQ-VXKWHMMOSA-N 0 0 409.486 4.407 20 5 HIBDRN 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UPXAFLMNTIQAAC-UHFFFAOYSA-N 0 0 419.275 4.100 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000492937162 904957515 /nfs/dbraw/zinc/95/75/15/904957515.db2.gz NVEVDJLJUITJLV-AUUYWEPGSA-N 0 0 403.866 4.401 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc3nc(C(F)F)sc3c2)cc1[N+](=O)[O-] ZINC000493008799 904985927 /nfs/dbraw/zinc/98/59/27/904985927.db2.gz LLGYSBHMCHDOQA-UHFFFAOYSA-N 0 0 408.386 4.472 20 5 HIBDRN CC[C@H](NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000493036816 905000121 /nfs/dbraw/zinc/00/01/21/905000121.db2.gz WTDYRYPIEQZBHZ-HKUYNNGSSA-N 0 0 403.504 4.498 20 5 HIBDRN O=C(c1cccc(OCc2cccnc2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493082923 905015054 /nfs/dbraw/zinc/01/50/54/905015054.db2.gz VJIJWTFFDKCRKH-UHFFFAOYSA-N 0 0 403.438 4.374 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000493104593 905019829 /nfs/dbraw/zinc/01/98/29/905019829.db2.gz JSERTRANJHEFQT-KRWDZBQOSA-N 0 0 414.481 4.021 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(OCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000493109330 905023110 /nfs/dbraw/zinc/02/31/10/905023110.db2.gz ZLWGKJPHYFSBCZ-GOSISDBHSA-N 0 0 411.502 4.398 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000493262316 905071334 /nfs/dbraw/zinc/07/13/34/905071334.db2.gz VJOBJEOYGHMCNT-CQSZACIVSA-N 0 0 418.881 4.276 20 5 HIBDRN CC(=O)Nc1ccc(Br)cc1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000506258854 914868823 /nfs/dbraw/zinc/86/88/23/914868823.db2.gz LEITZNVFKQZCTB-UHFFFAOYSA-N 0 0 400.179 4.206 20 5 HIBDRN COC(=O)c1cccc(NCc2c(F)cc([N+](=O)[O-])cc2F)c1Br ZINC000506263444 914870755 /nfs/dbraw/zinc/87/07/55/914870755.db2.gz VWVDSULBYJZIJO-UHFFFAOYSA-N 0 0 401.163 4.034 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000493494753 905140383 /nfs/dbraw/zinc/14/03/83/905140383.db2.gz AIRLVKNRCRBGHP-GOSISDBHSA-N 0 0 409.467 4.003 20 5 HIBDRN COc1ccc(CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000493683648 905193363 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HIBDRN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000498950480 908353009 /nfs/dbraw/zinc/35/30/09/908353009.db2.gz RNVCUCVPPSKCHU-NSHDSACASA-N 0 0 402.394 4.215 20 5 HIBDRN CNC(=O)c1ccc(N(Cc2cc(Br)ccc2F)C2CC2)c([N+](=O)[O-])c1 ZINC000498980815 908368007 /nfs/dbraw/zinc/36/80/07/908368007.db2.gz XGCXHQLDLDYGBO-UHFFFAOYSA-N 0 0 422.254 4.025 20 5 HIBDRN COC[C@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000499087051 908448846 /nfs/dbraw/zinc/44/88/46/908448846.db2.gz QFRRXDAUPBYRCO-YWZLYKJASA-N 0 0 417.893 4.286 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)nc1C(C)C ZINC000499103141 908463524 /nfs/dbraw/zinc/46/35/24/908463524.db2.gz WJYNSQXGNDXWGH-UHFFFAOYSA-N 0 0 414.443 4.152 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] ZINC000499109161 908468868 /nfs/dbraw/zinc/46/88/68/908468868.db2.gz DUCGCQONUIGJER-IBGZPJMESA-N 0 0 417.874 4.020 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1Cl 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COc1cc([C@@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000499628817 908861328 /nfs/dbraw/zinc/86/13/28/908861328.db2.gz AVOMTIIJMWORSK-CQSZACIVSA-N 0 0 401.463 4.102 20 5 HIBDRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000499630728 908861638 /nfs/dbraw/zinc/86/16/38/908861638.db2.gz KGTHKUSJJAJUOQ-AWEZNQCLSA-N 0 0 422.528 4.206 20 5 HIBDRN CCN(CC(C)C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000499657717 908867703 /nfs/dbraw/zinc/86/77/03/908867703.db2.gz KOAJPMKTWUGYMD-UHFFFAOYSA-N 0 0 401.429 4.335 20 5 HIBDRN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000499742475 908895960 /nfs/dbraw/zinc/89/59/60/908895960.db2.gz OIZNKIGDKXUDPC-AWEZNQCLSA-N 0 0 419.441 4.312 20 5 HIBDRN CC[C@@H](C)Sc1ccc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C)c1 ZINC000499806473 908939670 /nfs/dbraw/zinc/93/96/70/908939670.db2.gz YMFJTZDFACUJAF-CYBMUJFWSA-N 0 0 415.471 4.340 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000499857885 908992020 /nfs/dbraw/zinc/99/20/20/908992020.db2.gz BFEYTYPVUOHEFZ-HNNXBMFYSA-N 0 0 407.474 4.127 20 5 HIBDRN O=C(NCc1ccnc(OC2CCOCC2)c1)c1cc2ccccc2c2cccnc12 ZINC000499910931 909026722 /nfs/dbraw/zinc/02/67/22/909026722.db2.gz BDWRJYGQECMTEC-UHFFFAOYSA-N 0 0 413.477 4.271 20 5 HIBDRN O=C(N[C@H]1CCOc2c(Br)cccc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000500051177 909514718 /nfs/dbraw/zinc/51/47/18/909514718.db2.gz XJYNFQNUNQGCIR-ZDUSSCGKSA-N 0 0 411.639 4.264 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000500085607 909565084 /nfs/dbraw/zinc/56/50/84/909565084.db2.gz GTOHIDUFBRXHOZ-VGOFRKELSA-N 0 0 417.465 4.252 20 5 HIBDRN COc1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1Oc1ccc(C)nn1 ZINC000500093655 909572337 /nfs/dbraw/zinc/57/23/37/909572337.db2.gz QURUXFGZOSRGBH-UHFFFAOYSA-N 0 0 423.429 4.158 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cc1[N+](=O)[O-] ZINC000500094289 909573051 /nfs/dbraw/zinc/57/30/51/909573051.db2.gz ATENWGKJCHYNHC-LLVKDONJSA-N 0 0 402.357 4.382 20 5 HIBDRN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000500146970 909624657 /nfs/dbraw/zinc/62/46/57/909624657.db2.gz HDOWDSHYGITADW-ZDUSSCGKSA-N 0 0 403.276 4.263 20 5 HIBDRN COc1cccc(C2(F)CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)c1 ZINC000500172405 909662480 /nfs/dbraw/zinc/66/24/80/909662480.db2.gz ZOCQQBPGPWTEKB-UHFFFAOYSA-N 0 0 412.421 4.114 20 5 HIBDRN CC[C@@](C)(NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)OC ZINC000500277185 909756282 /nfs/dbraw/zinc/75/62/82/909756282.db2.gz HIAZFHRNSBKQQQ-LJQANCHMSA-N 0 0 406.822 4.112 20 5 HIBDRN COc1ccc2c(c1)CCCCN2C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000500294936 909763787 /nfs/dbraw/zinc/76/37/87/909763787.db2.gz BMWKNCFIQDKVSA-UHFFFAOYSA-N 0 0 402.472 4.317 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000500464937 909874045 /nfs/dbraw/zinc/87/40/45/909874045.db2.gz YKDIPVVJIRHYIX-UHFFFAOYSA-N 0 0 417.874 4.347 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000500465330 909874149 /nfs/dbraw/zinc/87/41/49/909874149.db2.gz ZTEIBWNHXCQEHO-UHFFFAOYSA-N 0 0 417.874 4.347 20 5 HIBDRN CC(C)[C@H](C)NC(=O)C1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000500491779 909887683 /nfs/dbraw/zinc/88/76/83/909887683.db2.gz ODVCBTBUPYILSC-KRWDZBQOSA-N 0 0 423.513 4.203 20 5 HIBDRN O=C(Nc1nc2c(ccc(F)c2F)s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000500637247 909983393 /nfs/dbraw/zinc/98/33/93/909983393.db2.gz UEKJVQBXBYVTRO-UHFFFAOYSA-N 0 0 404.398 4.335 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000500651454 909993447 /nfs/dbraw/zinc/99/34/47/909993447.db2.gz MKRNFZDAIOTVPN-HNNXBMFYSA-N 0 0 417.874 4.380 20 5 HIBDRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3c(N)cccc3[N+](=O)[O-])s2)cc1 ZINC000500661079 910002127 /nfs/dbraw/zinc/00/21/27/910002127.db2.gz DDYVDIBNQXQDFA-LLVKDONJSA-N 0 0 412.471 4.109 20 5 HIBDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000500683291 910018286 /nfs/dbraw/zinc/01/82/86/910018286.db2.gz USCFVUZLSFOUFV-CYBMUJFWSA-N 0 0 416.421 4.179 20 5 HIBDRN COc1ccc(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)cc1[N+](=O)[O-] ZINC000500718584 910038312 /nfs/dbraw/zinc/03/83/12/910038312.db2.gz YMNGZBWTMLGFLN-SFHVURJKSA-N 0 0 410.401 4.293 20 5 HIBDRN Cc1ccc(Cl)c(N(Cc2cccnc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000500759868 910064449 /nfs/dbraw/zinc/06/44/49/910064449.db2.gz UOCSEFBSKMTKFT-UHFFFAOYSA-N 0 0 417.874 4.347 20 5 HIBDRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCc3ccccc3[N+](=O)[O-])c12 ZINC000500770202 910069539 /nfs/dbraw/zinc/06/95/39/910069539.db2.gz CCSONRATKQZZLB-UHFFFAOYSA-N 0 0 406.373 4.176 20 5 HIBDRN Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000500874261 910146802 /nfs/dbraw/zinc/14/68/02/910146802.db2.gz YTWBWSOYNOGENO-OAQYLSRUSA-N 0 0 410.449 4.423 20 5 HIBDRN COc1cccc(-n2nc(C)c([C@@H]3COCCN3c3ccc([N+](=O)[O-])c(C)c3)c2C)c1 ZINC000500897121 910168644 /nfs/dbraw/zinc/16/86/44/910168644.db2.gz LMPVRVHEGXKKGM-QFIPXVFZSA-N 0 0 422.485 4.292 20 5 HIBDRN O=C(CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501128278 910310091 /nfs/dbraw/zinc/31/00/91/910310091.db2.gz QPEOMDFPDHCOKF-SFHVURJKSA-N 0 0 424.284 4.304 20 5 HIBDRN O=[N+]([O-])c1cc(CN[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c2c(c1)COCO2 ZINC000513138365 921578692 /nfs/dbraw/zinc/57/86/92/921578692.db2.gz GWEMCLWGBSIJCD-SFHVURJKSA-N 0 0 407.348 4.336 20 5 HIBDRN Cc1c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cnn1CC(C)C ZINC000501345108 910481432 /nfs/dbraw/zinc/48/14/32/910481432.db2.gz UCYKXCQBUPRXHP-HOTGVXAUSA-N 0 0 413.522 4.490 20 5 HIBDRN CC(=O)c1c(C)cc(C)c(C[S@](=O)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1C ZINC000501367745 910496568 /nfs/dbraw/zinc/49/65/68/910496568.db2.gz WYEQMSASLCBPFW-GDLZYMKVSA-N 0 0 417.483 4.038 20 5 HIBDRN COCCN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000513151514 921586118 /nfs/dbraw/zinc/58/61/18/921586118.db2.gz YGJCSNJSJNHYSQ-UHFFFAOYSA-N 0 0 416.428 4.161 20 5 HIBDRN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000501576931 910684335 /nfs/dbraw/zinc/68/43/35/910684335.db2.gz CEQQXDMPOWFZOG-UHFFFAOYSA-N 0 0 423.498 4.141 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000501602021 910707307 /nfs/dbraw/zinc/70/73/07/910707307.db2.gz CMLSQBMSADRPOR-UHFFFAOYSA-N 0 0 415.506 4.146 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC=C(c2cccc3ccccc32)C1 ZINC000501620471 910720634 /nfs/dbraw/zinc/72/06/34/910720634.db2.gz ZSPWLSOYYIOYMR-UHFFFAOYSA-N 0 0 410.433 4.473 20 5 HIBDRN O=C(Nc1cccc(OCCc2ccccc2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000501648546 910736370 /nfs/dbraw/zinc/73/63/70/910736370.db2.gz LHQPKEVIZZEJML-UHFFFAOYSA-N 0 0 420.421 4.240 20 5 HIBDRN O=C(c1ccc(CCC(F)(F)F)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000501732398 910794375 /nfs/dbraw/zinc/79/43/75/910794375.db2.gz BRXNPQGUKYQINH-UHFFFAOYSA-N 0 0 407.392 4.052 20 5 HIBDRN COc1ccc(CN(CC2CC2)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(OC)c1 ZINC000501734875 910795551 /nfs/dbraw/zinc/79/55/51/910795551.db2.gz AAQOQKVYXJKXLV-UHFFFAOYSA-N 0 0 404.850 4.318 20 5 HIBDRN CCc1c(C)nn(-c2cccc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)c2)c1C ZINC000501762201 910817369 /nfs/dbraw/zinc/81/73/69/910817369.db2.gz MBWDDYFIQSFKBC-UHFFFAOYSA-N 0 0 404.430 4.088 20 5 HIBDRN CCc1sc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000501780032 910834941 /nfs/dbraw/zinc/83/49/41/910834941.db2.gz ZKYOBBKWVPZGTD-UHFFFAOYSA-N 0 0 424.482 4.039 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000501790519 910842262 /nfs/dbraw/zinc/84/22/62/910842262.db2.gz DVUVDVSWCMUBMW-SFHVURJKSA-N 0 0 422.441 4.168 20 5 HIBDRN COc1ccc2c(c1)CN(c1c3cc(Br)ccc3ncc1[N+](=O)[O-])CC2 ZINC000513188813 921611688 /nfs/dbraw/zinc/61/16/88/921611688.db2.gz SERPKBWXTZTDSH-UHFFFAOYSA-N 0 0 414.259 4.477 20 5 HIBDRN CC(C)CCOC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000501823199 910869129 /nfs/dbraw/zinc/86/91/29/910869129.db2.gz GLLYVUYSDJKMNW-UHFFFAOYSA-N 0 0 403.504 4.386 20 5 HIBDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501864212 910893384 /nfs/dbraw/zinc/89/33/84/910893384.db2.gz QIIMSRHACCLGMT-AUUYWEPGSA-N 0 0 403.866 4.039 20 5 HIBDRN C[C@@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000501885208 910904409 /nfs/dbraw/zinc/90/44/09/910904409.db2.gz XBGRWLZUXNQWPD-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN COCC1(CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CCC1 ZINC000501946879 910934654 /nfs/dbraw/zinc/93/46/54/910934654.db2.gz DYKXHDNRAIUNQS-UHFFFAOYSA-N 0 0 414.458 4.332 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCCC[C@H]1c1noc(C(C)C)n1 ZINC000501988941 910965452 /nfs/dbraw/zinc/96/54/52/910965452.db2.gz MKYSNHPNHYOOSN-INIZCTEOSA-N 0 0 422.507 4.024 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000502272244 911220939 /nfs/dbraw/zinc/22/09/39/911220939.db2.gz SWXMYQULEKRQFZ-UHFFFAOYSA-N 0 0 424.432 4.430 20 5 HIBDRN Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1 ZINC000502292556 911250926 /nfs/dbraw/zinc/25/09/26/911250926.db2.gz HSNGZBAPKLJXGV-OAHLLOKOSA-N 0 0 423.473 4.106 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000502319019 911292923 /nfs/dbraw/zinc/29/29/23/911292923.db2.gz HDZVFZLRLANXJG-LJQANCHMSA-N 0 0 410.861 4.426 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2OC)cc1 ZINC000502357111 911340013 /nfs/dbraw/zinc/34/00/13/911340013.db2.gz VWTCUWVXGSSMIN-JOCHJYFZSA-N 0 0 422.437 4.140 20 5 HIBDRN CCc1cccc(C)c1Nc1nnc(SCCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000513251210 921657132 /nfs/dbraw/zinc/65/71/32/921657132.db2.gz NWPUDTBECFPKRP-UHFFFAOYSA-N 0 0 417.516 4.015 20 5 HIBDRN COc1cc(Cl)ccc1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000502461947 911449641 /nfs/dbraw/zinc/44/96/41/911449641.db2.gz LQVGBNXTAKIJDW-UHFFFAOYSA-N 0 0 403.847 4.310 20 5 HIBDRN CC(C)c1nc2ccc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000502469400 911460933 /nfs/dbraw/zinc/46/09/33/911460933.db2.gz IXFZEQIWKLPPSG-GFCCVEGCSA-N 0 0 412.471 4.085 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000502539179 911545008 /nfs/dbraw/zinc/54/50/08/911545008.db2.gz RUACANMKOHJJHM-UHFFFAOYSA-N 0 0 401.488 4.082 20 5 HIBDRN Cc1nc([C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ccccc2F)no1 ZINC000513266788 921669857 /nfs/dbraw/zinc/66/98/57/921669857.db2.gz ISOBBHWQWCXVQR-SFHVURJKSA-N 0 0 412.421 4.242 20 5 HIBDRN Cc1cc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000502584434 911588939 /nfs/dbraw/zinc/58/89/39/911588939.db2.gz JFPKHMTVEQVTCG-SFHVURJKSA-N 0 0 406.442 4.235 20 5 HIBDRN C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C1CC1 ZINC000513291781 921689601 /nfs/dbraw/zinc/68/96/01/921689601.db2.gz QSPVVAJTMRSXBN-LBPRGKRZSA-N 0 0 422.890 4.018 20 5 HIBDRN 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ZINC000508370883 917171619 /nfs/dbraw/zinc/17/16/19/917171619.db2.gz XLRZBDIIRWBCDP-UHFFFAOYSA-N 0 0 411.483 4.114 20 5 HIBDRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000508467501 917251167 /nfs/dbraw/zinc/25/11/67/917251167.db2.gz MXYWCIYVVIXHEJ-MRXNPFEDSA-N 0 0 411.241 4.196 20 5 HIBDRN COC(=O)c1occc1CN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@H](C)c1ccccn1 ZINC000508506093 917292178 /nfs/dbraw/zinc/29/21/78/917292178.db2.gz NUUUOSBGRVSURD-OAHLLOKOSA-N 0 0 423.425 4.081 20 5 HIBDRN COc1cccc(C(=O)CCCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000508520838 917305311 /nfs/dbraw/zinc/30/53/11/917305311.db2.gz RGQMXTOYOUJXRJ-UHFFFAOYSA-N 0 0 424.375 4.292 20 5 HIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000508534723 917315817 /nfs/dbraw/zinc/31/58/17/917315817.db2.gz SMWIFRDUNAODDP-UHFFFAOYSA-N 0 0 411.412 4.352 20 5 HIBDRN COc1cccc(-c2nc(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)cs2)c1OC ZINC000508538941 917319200 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4.349 20 5 HIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000508975878 917730041 /nfs/dbraw/zinc/73/00/41/917730041.db2.gz DCSQMRWXTZOQSH-OAHLLOKOSA-N 0 0 417.391 4.403 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C)CC2)c1 ZINC000508985365 917738173 /nfs/dbraw/zinc/73/81/73/917738173.db2.gz PWTAOVSQZYCAAK-UHFFFAOYSA-N 0 0 407.474 4.055 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c(F)c1 ZINC000509005530 917759738 /nfs/dbraw/zinc/75/97/38/917759738.db2.gz DALSLEGQSKEGIF-QGZVFWFLSA-N 0 0 402.319 4.465 20 5 HIBDRN Cc1ccccc1[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000509017860 917772006 /nfs/dbraw/zinc/77/20/06/917772006.db2.gz UJBBZLCAQPIRHC-GFCCVEGCSA-N 0 0 424.238 4.341 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(F)cccc1N1CCCC1 ZINC000509025606 917780469 /nfs/dbraw/zinc/78/04/69/917780469.db2.gz YFGYFKCZZYUMHO-UHFFFAOYSA-N 0 0 414.481 4.454 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000509051530 917801189 /nfs/dbraw/zinc/80/11/89/917801189.db2.gz OQRDRBSBQRRGQD-UHFFFAOYSA-N 0 0 424.375 4.192 20 5 HIBDRN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000509107012 917846417 /nfs/dbraw/zinc/84/64/17/917846417.db2.gz DSYGPCPWYWKDQH-QGZVFWFLSA-N 0 0 407.470 4.216 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000509178199 917889243 /nfs/dbraw/zinc/88/92/43/917889243.db2.gz JRCXACXBUMCGCO-IBGZPJMESA-N 0 0 410.442 4.154 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cc1[N+](=O)[O-] ZINC000509202825 917905620 /nfs/dbraw/zinc/90/56/20/917905620.db2.gz MDALBCIRIMVPLW-UHFFFAOYSA-N 0 0 415.450 4.303 20 5 HIBDRN Cc1csc(Sc2c(Cl)cccc2NC(=O)Cn2cc([N+](=O)[O-])nc2C)n1 ZINC000509210002 917910943 /nfs/dbraw/zinc/91/09/43/917910943.db2.gz SVYJJISXFDXBBD-UHFFFAOYSA-N 0 0 423.907 4.308 20 5 HIBDRN COc1ccc(F)cc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000509235326 917931771 /nfs/dbraw/zinc/93/17/71/917931771.db2.gz QAEOTVBESASEHR-UHFFFAOYSA-N 0 0 404.341 4.492 20 5 HIBDRN CC(C)NC(=O)Cc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000509246144 917940876 /nfs/dbraw/zinc/94/08/76/917940876.db2.gz KQIKOZWFABAXLS-UHFFFAOYSA-N 0 0 412.490 4.104 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)c1 ZINC000509287250 917970484 /nfs/dbraw/zinc/97/04/84/917970484.db2.gz NIVJEXGGTLZASS-UHFFFAOYSA-N 0 0 416.484 4.475 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CN2CCO[C@@H](c3ccc(Br)cc3)C2)c(F)c1 ZINC000509296559 917977201 /nfs/dbraw/zinc/97/72/01/917977201.db2.gz MHFDODIHVQWQPB-QGZVFWFLSA-N 0 0 413.218 4.209 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 ZINC000509348775 918014257 /nfs/dbraw/zinc/01/42/57/918014257.db2.gz TVTLDFPUNPCNIJ-CYBMUJFWSA-N 0 0 418.375 4.442 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1Cl ZINC000509372043 918037700 /nfs/dbraw/zinc/03/77/00/918037700.db2.gz KQIUCFPSRVLRDS-UHFFFAOYSA-N 0 0 407.879 4.119 20 5 HIBDRN Cc1ccc(Cc2ccccn2)cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000509396934 918063906 /nfs/dbraw/zinc/06/39/06/918063906.db2.gz ORSXLRPXYQDMBA-UHFFFAOYSA-N 0 0 411.483 4.307 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cc(N2CCCC2=O)ccc1Cl ZINC000509440611 918096473 /nfs/dbraw/zinc/09/64/73/918096473.db2.gz YIDDCXQAAKKNFF-UHFFFAOYSA-N 0 0 405.863 4.106 20 5 HIBDRN O=C(Nc1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000509447844 918101536 /nfs/dbraw/zinc/10/15/36/918101536.db2.gz LOUGGTVDMWVCMD-SFHVURJKSA-N 0 0 403.442 4.375 20 5 HIBDRN O=C(CC(F)(F)F)Nc1ccc(Nc2ncc(Br)cc2[N+](=O)[O-])cc1 ZINC000509474850 918121076 /nfs/dbraw/zinc/12/10/76/918121076.db2.gz COZFNHMDTIXQCF-UHFFFAOYSA-N 0 0 419.157 4.387 20 5 HIBDRN CCOc1ccc(NC(=O)CNc2cc(Cc3ccccn3)ccc2C)c([N+](=O)[O-])c1 ZINC000509508436 918155933 /nfs/dbraw/zinc/15/59/33/918155933.db2.gz PXTKHKMVIVAKKQ-UHFFFAOYSA-N 0 0 420.469 4.338 20 5 HIBDRN Cc1nnc([C@@H]2CCCCN2c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[nH]1 ZINC000509520565 918168911 /nfs/dbraw/zinc/16/89/11/918168911.db2.gz DHKNQJCROOWVSA-IBGZPJMESA-N 0 0 420.473 4.314 20 5 HIBDRN CCOc1ccc(CN(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 ZINC000509570911 918221688 /nfs/dbraw/zinc/22/16/88/918221688.db2.gz KUALSJMBAGKYJJ-UHFFFAOYSA-N 0 0 407.264 4.337 20 5 HIBDRN COCCOc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1OC ZINC000509575750 918224280 /nfs/dbraw/zinc/22/42/80/918224280.db2.gz QNFVLKZXMRPCEE-UHFFFAOYSA-N 0 0 417.462 4.071 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000509651654 918289359 /nfs/dbraw/zinc/28/93/59/918289359.db2.gz UDHNFAHMANURNA-XIKOKIGWSA-N 0 0 419.275 4.268 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000509669570 918303257 /nfs/dbraw/zinc/30/32/57/918303257.db2.gz ZVWFSVLYGBTVMY-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000509675941 918307470 /nfs/dbraw/zinc/30/74/70/918307470.db2.gz AMXOMCKJMNXDJR-INIZCTEOSA-N 0 0 420.416 4.315 20 5 HIBDRN CCOc1cc(NC(=O)N2CCC[C@@H]2c2cc(C)no2)c([N+](=O)[O-])cc1OCC ZINC000509746164 918365680 /nfs/dbraw/zinc/36/56/80/918365680.db2.gz ODCREQZIMMSVJP-CQSZACIVSA-N 0 0 404.423 4.058 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000509787151 918395063 /nfs/dbraw/zinc/39/50/63/918395063.db2.gz GPOIHMIBBJDYAT-UHFFFAOYSA-N 0 0 411.483 4.171 20 5 HIBDRN CCOc1ccc(OC)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000509807221 918411927 /nfs/dbraw/zinc/41/19/27/918411927.db2.gz ZVRWXWANAKNXEG-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1[N+](=O)[O-] ZINC000509881952 918484154 /nfs/dbraw/zinc/48/41/54/918484154.db2.gz PHHNJHSNHGWLSP-UHFFFAOYSA-N 0 0 407.249 4.370 20 5 HIBDRN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000509958194 918550911 /nfs/dbraw/zinc/55/09/11/918550911.db2.gz OJYKODMPPRDWKY-UHFFFAOYSA-N 0 0 406.398 4.041 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000509986330 918573534 /nfs/dbraw/zinc/57/35/34/918573534.db2.gz KIUHKMYJZSZGDS-UHFFFAOYSA-N 0 0 416.453 4.013 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccc(-c3csnn3)cc2)cc1[N+](=O)[O-] ZINC000510005339 918587856 /nfs/dbraw/zinc/58/78/56/918587856.db2.gz KYTDGODCNWIPFB-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1[N+](=O)[O-] ZINC000510023094 918598658 /nfs/dbraw/zinc/59/86/58/918598658.db2.gz IEXMJTPJLOXCAM-UHFFFAOYSA-N 0 0 414.259 4.346 20 5 HIBDRN O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000510041608 918612320 /nfs/dbraw/zinc/61/23/20/918612320.db2.gz PNZOKVIBIWALPV-ACJLOTCBSA-N 0 0 419.275 4.255 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(COc2cccc(F)c2)c1 ZINC000510052879 918622990 /nfs/dbraw/zinc/62/29/90/918622990.db2.gz FIYQBKNPNOUDMM-UHFFFAOYSA-N 0 0 409.417 4.155 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000510163881 918715650 /nfs/dbraw/zinc/71/56/50/918715650.db2.gz PRICQQPPWBVPTK-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN CC[C@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC)c(OC)c1 ZINC000510189529 918739168 /nfs/dbraw/zinc/73/91/68/918739168.db2.gz AJPYXJUSBSYXSU-GUYCJALGSA-N 0 0 412.446 4.464 20 5 HIBDRN COc1ccc(NC(=O)CN2C[C@@H](C)CC[C@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000510215949 918762703 /nfs/dbraw/zinc/76/27/03/918762703.db2.gz XBMXELYFIIHFOG-KXBFYZLASA-N 0 0 413.474 4.024 20 5 HIBDRN COc1ccc(C[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC ZINC000510315333 918826002 /nfs/dbraw/zinc/82/60/02/918826002.db2.gz KMDIOWIZMUDOMP-LLVKDONJSA-N 0 0 410.373 4.031 20 5 HIBDRN Cc1cc(NC(=O)c2cnn(C3CCCCC3)c2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000510348842 918845460 /nfs/dbraw/zinc/84/54/60/918845460.db2.gz PRHUDZWJFRORQE-UHFFFAOYSA-N 0 0 408.462 4.351 20 5 HIBDRN Cc1ccc(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000510389184 918867811 /nfs/dbraw/zinc/86/78/11/918867811.db2.gz OGKJWQOVCHRJOK-UHFFFAOYSA-N 0 0 402.760 4.411 20 5 HIBDRN Cc1c(Br)cc(C(=O)NC[C@H](c2cccnc2)C(C)C)cc1[N+](=O)[O-] ZINC000510444323 918900703 /nfs/dbraw/zinc/90/07/03/918900703.db2.gz RQRDYZRAZYEMKO-HNNXBMFYSA-N 0 0 406.280 4.230 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1coc(C2CCOCC2)n1 ZINC000510447331 918902187 /nfs/dbraw/zinc/90/21/87/918902187.db2.gz ZYVVOCNSUKNURD-UHFFFAOYSA-N 0 0 423.425 4.308 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000510445528 918902886 /nfs/dbraw/zinc/90/28/86/918902886.db2.gz VYATVEFYIWMALS-LLVKDONJSA-N 0 0 410.293 4.142 20 5 HIBDRN COc1ccccc1CCNC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000510449614 918904571 /nfs/dbraw/zinc/90/45/71/918904571.db2.gz LGEANBMOYHLSCE-UHFFFAOYSA-N 0 0 420.469 4.118 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000510449361 918904616 /nfs/dbraw/zinc/90/46/16/918904616.db2.gz HRSYLLZLVNSHGY-INMHGKMJSA-N 0 0 406.891 4.205 20 5 HIBDRN CCOc1ccc(NC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1Cl ZINC000510460283 918915881 /nfs/dbraw/zinc/91/58/81/918915881.db2.gz KMQXITAEXJJCIW-UHFFFAOYSA-N 0 0 423.853 4.028 20 5 HIBDRN Cc1cccc([C@H](NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C(F)(F)F)c1 ZINC000510466119 918923225 /nfs/dbraw/zinc/92/32/25/918923225.db2.gz YBVBXHWFYDGRPB-KRWDZBQOSA-N 0 0 409.364 4.094 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000510475643 918928703 /nfs/dbraw/zinc/92/87/03/918928703.db2.gz NRBFRSUEPQSAGR-APPDUMDISA-N 0 0 421.906 4.042 20 5 HIBDRN Cc1c(Br)cc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000510494734 918941669 /nfs/dbraw/zinc/94/16/69/918941669.db2.gz AUGFKLOUTMMSMB-MRXNPFEDSA-N 0 0 403.276 4.295 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000510563642 919005721 /nfs/dbraw/zinc/00/57/21/919005721.db2.gz BPGBFZCWEVVZPO-UHFFFAOYSA-N 0 0 422.812 4.130 20 5 HIBDRN COc1ccc(F)cc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000510789771 919257790 /nfs/dbraw/zinc/25/77/90/919257790.db2.gz IVPMUBRSMIUQAK-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CCc2nccs2)c([N+](=O)[O-])c1 ZINC000510818094 919294601 /nfs/dbraw/zinc/29/46/01/919294601.db2.gz SSTXWOCMKQXBQT-FQEVSTJZSA-N 0 0 410.499 4.214 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000510825213 919306034 /nfs/dbraw/zinc/30/60/34/919306034.db2.gz NANMUKIQXDMEJI-INIZCTEOSA-N 0 0 415.490 4.337 20 5 HIBDRN Cc1nc(-c2ccc(CCNC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2)cs1 ZINC000510839362 919322801 /nfs/dbraw/zinc/32/28/01/919322801.db2.gz VCSLDLXMSFBKGV-UHFFFAOYSA-N 0 0 424.526 4.453 20 5 HIBDRN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)ccc1OCc1ccccc1 ZINC000511089425 919693642 /nfs/dbraw/zinc/69/36/42/919693642.db2.gz HZDPFWGDQVMFTF-UHFFFAOYSA-N 0 0 422.437 4.121 20 5 HIBDRN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511110945 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CNc1ccc(C(=O)Nc2ccccc2-c2nnc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC000516132832 923564524 /nfs/dbraw/zinc/56/45/24/923564524.db2.gz ZZSVREMUXBCUSG-UHFFFAOYSA-N 0 0 414.425 4.341 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1cccc(Br)c1 ZINC000516150303 923578020 /nfs/dbraw/zinc/57/80/20/923578020.db2.gz RCMAJGJBKCHRHU-MRXNPFEDSA-N 0 0 404.264 4.404 20 5 HIBDRN Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000516215618 923606440 /nfs/dbraw/zinc/60/64/40/923606440.db2.gz UZRXVCUKDBYBJZ-FQEVSTJZSA-N 0 0 419.485 4.423 20 5 HIBDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000516226716 923614210 /nfs/dbraw/zinc/61/42/10/923614210.db2.gz NWIFPXOIKAVTGX-MRXNPFEDSA-N 0 0 408.458 4.242 20 5 HIBDRN CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000516272988 923640334 /nfs/dbraw/zinc/64/03/34/923640334.db2.gz LHTCAVOMRXARDT-UHFFFAOYSA-N 0 0 420.746 4.444 20 5 HIBDRN C[C@H]1C[C@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)o1 ZINC000516410710 923716680 /nfs/dbraw/zinc/71/66/80/923716680.db2.gz IMGAVTACXSSWST-XHDPSFHLSA-N 0 0 417.849 4.094 20 5 HIBDRN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)o1 ZINC000516410707 923716825 /nfs/dbraw/zinc/71/68/25/923716825.db2.gz IMGAVTACXSSWST-ABAIWWIYSA-N 0 0 417.849 4.094 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000516442261 923736338 /nfs/dbraw/zinc/73/63/38/923736338.db2.gz ILEZWCOPFNZACG-QMMMGPOBSA-N 0 0 416.648 4.371 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)ccc1OC1CCCC1 ZINC000516498240 923760897 /nfs/dbraw/zinc/76/08/97/923760897.db2.gz QDCGBNTVYOIFPN-LBPRGKRZSA-N 0 0 417.437 4.137 20 5 HIBDRN Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000516509121 923768756 /nfs/dbraw/zinc/76/87/56/923768756.db2.gz HJDPGZFGGDLLIY-SNUQEOBHSA-N 0 0 424.436 4.019 20 5 HIBDRN CCCn1c(C)c(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c2cc(OC)ccc21 ZINC000516536424 923785335 /nfs/dbraw/zinc/78/53/35/923785335.db2.gz JBWKKMYHHZOHDI-UHFFFAOYSA-N 0 0 411.458 4.215 20 5 HIBDRN C[C@H](C(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000516594646 923805881 /nfs/dbraw/zinc/80/58/81/923805881.db2.gz FWTJMNHQBQBYSH-AWEZNQCLSA-N 0 0 420.868 4.399 20 5 HIBDRN O=C(NCC1(c2ccc(F)cc2)CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516628110 923822076 /nfs/dbraw/zinc/82/20/76/923822076.db2.gz BKRSQURETMRVMJ-UHFFFAOYSA-N 0 0 400.406 4.095 20 5 HIBDRN O=C(NCCCCOc1ccc(Cl)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000516693168 923848613 /nfs/dbraw/zinc/84/86/13/923848613.db2.gz CUTJOYCTNIUWRD-UHFFFAOYSA-N 0 0 419.865 4.011 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)cc2[N+](=O)[O-])C1 ZINC000516800724 923892569 /nfs/dbraw/zinc/89/25/69/923892569.db2.gz XYHPTCJBRKVSFQ-OAHLLOKOSA-N 0 0 405.458 4.474 20 5 HIBDRN Cc1ccc([C@@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000516826030 923908540 /nfs/dbraw/zinc/90/85/40/923908540.db2.gz YJVSIEUZXCBPKL-XMMPIXPASA-N 0 0 417.465 4.113 20 5 HIBDRN COc1cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000516882176 923924048 /nfs/dbraw/zinc/92/40/48/923924048.db2.gz NYTAXVTUHLXGIE-UHFFFAOYSA-N 0 0 410.348 4.050 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cc(Cl)ccc3O)cc2)c(C)c1[N+](=O)[O-] ZINC000517089145 923991425 /nfs/dbraw/zinc/99/14/25/923991425.db2.gz IDLYVQGMKCOIFD-UHFFFAOYSA-N 0 0 400.822 4.068 20 5 HIBDRN CCc1c(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cnn1-c1ccc(F)cc1 ZINC000517097325 923994066 /nfs/dbraw/zinc/99/40/66/923994066.db2.gz NGAJTEPQPCUKMZ-UHFFFAOYSA-N 0 0 420.404 4.124 20 5 HIBDRN CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000517185181 924042456 /nfs/dbraw/zinc/04/24/56/924042456.db2.gz XCGLAPUPIXPZAR-GFCCVEGCSA-N 0 0 403.866 4.189 20 5 HIBDRN CN(CCc1ccc(Br)cc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000517357817 924130740 /nfs/dbraw/zinc/13/07/40/924130740.db2.gz KUGXHIHRTFLHLM-UHFFFAOYSA-N 0 0 409.305 4.151 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000517359145 924131995 /nfs/dbraw/zinc/13/19/95/924131995.db2.gz ZGDHXANXNBYBOB-CQSZACIVSA-N 0 0 407.430 4.068 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Nc2cc(F)ccc2OC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000517413864 924166338 /nfs/dbraw/zinc/16/63/38/924166338.db2.gz HELFUQIVGHEGJD-GOEBONIOSA-N 0 0 417.437 4.039 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000517427934 924176928 /nfs/dbraw/zinc/17/69/28/924176928.db2.gz INVFAXKKRLUHJM-QVKFZJNVSA-N 0 0 404.413 4.008 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(Cc3ccccc3F)s2)c1 ZINC000517443448 924192857 /nfs/dbraw/zinc/19/28/57/924192857.db2.gz XYQHKCBPICOXIX-UHFFFAOYSA-N 0 0 404.448 4.150 20 5 HIBDRN COc1ccc(CN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 ZINC000517506646 924237073 /nfs/dbraw/zinc/23/70/73/924237073.db2.gz SRYMLBVFOCGUFM-OAHLLOKOSA-N 0 0 413.474 4.122 20 5 HIBDRN CN(C(=O)Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000517559525 926679600 /nfs/dbraw/zinc/67/96/00/926679600.db2.gz DIZSNLRXEWDDGD-UHFFFAOYSA-N 0 0 407.401 4.192 20 5 HIBDRN COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000517559945 926680603 /nfs/dbraw/zinc/68/06/03/926680603.db2.gz UPLHZEDGEWQQNY-UHFFFAOYSA-N 0 0 409.373 4.247 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(-c4ccc(F)c(F)c4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000517627705 926735972 /nfs/dbraw/zinc/73/59/72/926735972.db2.gz QBPKHNHPNJEGBI-UHFFFAOYSA-N 0 0 411.368 4.452 20 5 HIBDRN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000517643014 926750614 /nfs/dbraw/zinc/75/06/14/926750614.db2.gz PEUXHEOAZIBJAD-WBMJQRKESA-N 0 0 407.426 4.370 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000517661468 926769628 /nfs/dbraw/zinc/76/96/28/926769628.db2.gz ZWYQCKXYEQIMPU-MRXNPFEDSA-N 0 0 410.861 4.207 20 5 HIBDRN O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517693376 926797624 /nfs/dbraw/zinc/79/76/24/926797624.db2.gz QJSWVTVQOFMYMX-LBPRGKRZSA-N 0 0 424.682 4.019 20 5 HIBDRN COc1ccc(CC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000517760266 926825296 /nfs/dbraw/zinc/82/52/96/926825296.db2.gz GTROHMZQLVJDGZ-UHFFFAOYSA-N 0 0 406.841 4.287 20 5 HIBDRN CCOc1cc2c(cc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)O[C@H](C)C2 ZINC000517805737 926845115 /nfs/dbraw/zinc/84/51/15/926845115.db2.gz GBDHCLYBYZEQCF-LLVKDONJSA-N 0 0 405.838 4.292 20 5 HIBDRN COc1cc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)ccc1[N+](=O)[O-] ZINC000517858011 926865801 /nfs/dbraw/zinc/86/58/01/926865801.db2.gz WLKOJOFENRSILS-HXUWFJFHSA-N 0 0 404.850 4.293 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)c1 ZINC000517871368 926870343 /nfs/dbraw/zinc/87/03/43/926870343.db2.gz HOLBUSSNTBHRHJ-UHFFFAOYSA-N 0 0 423.238 4.310 20 5 HIBDRN Cc1ccc(Cn2nccc2NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 ZINC000518006551 926946677 /nfs/dbraw/zinc/94/66/77/926946677.db2.gz BXFAUXOWTPGULA-UHFFFAOYSA-N 0 0 404.348 4.419 20 5 HIBDRN C[C@@H](Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000518012993 926952182 /nfs/dbraw/zinc/95/21/82/926952182.db2.gz CBVDSTOFUXDFKK-DYVFJYSZSA-N 0 0 419.865 4.245 20 5 HIBDRN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000518049164 926985938 /nfs/dbraw/zinc/98/59/38/926985938.db2.gz BEPCSQWQJOXZFY-NRFANRHFSA-N 0 0 405.410 4.383 20 5 HIBDRN CCOc1cccc2[nH]cc(Cc3noc(COc4ccc([N+](=O)[O-])c(C)c4)n3)c21 ZINC000518206042 927079761 /nfs/dbraw/zinc/07/97/61/927079761.db2.gz ZUPBJZVJMFEVEZ-UHFFFAOYSA-N 0 0 408.414 4.336 20 5 HIBDRN COc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1[N+](=O)[O-] ZINC000518275088 927132805 /nfs/dbraw/zinc/13/28/05/927132805.db2.gz ABAGGBJMORFWPX-UHFFFAOYSA-N 0 0 415.453 4.141 20 5 HIBDRN COC(=O)c1cc(F)ccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000518279726 927137976 /nfs/dbraw/zinc/13/79/76/927137976.db2.gz BMTUHBBIDHZBNH-CYBMUJFWSA-N 0 0 415.421 4.009 20 5 HIBDRN CNc1ccc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000518299199 927158938 /nfs/dbraw/zinc/15/89/38/927158938.db2.gz WLWCBEWWQZPCKJ-UHFFFAOYSA-N 0 0 404.426 4.165 20 5 HIBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000518313704 927176801 /nfs/dbraw/zinc/17/68/01/927176801.db2.gz GSHHNQSSLCCVAR-UHFFFAOYSA-N 0 0 413.430 4.227 20 5 HIBDRN CCCc1n[nH]c(C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)c1[N+](=O)[O-] ZINC000518344304 927210619 /nfs/dbraw/zinc/21/06/19/927210619.db2.gz KBHJKIIMEQQKJH-QGZVFWFLSA-N 0 0 406.442 4.191 20 5 HIBDRN COc1ccccc1CN(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000518427349 927263118 /nfs/dbraw/zinc/26/31/18/927263118.db2.gz FLNFBMHPMIABHW-INIZCTEOSA-N 0 0 420.469 4.444 20 5 HIBDRN CCOC1CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC000518430496 927263730 /nfs/dbraw/zinc/26/37/30/927263730.db2.gz VQTOLJFUGYMEQS-LFIBNONCSA-N 0 0 423.494 4.383 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCCO[C@H](C(C)C)C2)cc1 ZINC000518430766 927263949 /nfs/dbraw/zinc/26/39/49/927263949.db2.gz PIJAQYBVRRYOMJ-NRFANRHFSA-N 0 0 414.458 4.283 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cc1C ZINC000518446536 927279518 /nfs/dbraw/zinc/27/95/18/927279518.db2.gz PXWSYTYLIRLRNQ-KSSFIOAISA-N 0 0 424.906 4.016 20 5 HIBDRN C[C@H](NC(=O)N(C)CCc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000518528772 927329519 /nfs/dbraw/zinc/32/95/19/927329519.db2.gz USTMANPSXOBUAV-ZDUSSCGKSA-N 0 0 406.280 4.302 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000518533926 927333316 /nfs/dbraw/zinc/33/33/16/927333316.db2.gz GWRMDSVKXLKTAG-FQEVSTJZSA-N 0 0 403.438 4.359 20 5 HIBDRN COc1ccc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc1[N+](=O)[O-] ZINC000518555057 927343831 /nfs/dbraw/zinc/34/38/31/927343831.db2.gz BSNUZFRBTHDQIP-WQLSENKSSA-N 0 0 417.343 4.276 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(OC)ccc4[N+](=O)[O-])CC3)c2c1 ZINC000518634967 927394266 /nfs/dbraw/zinc/39/42/66/927394266.db2.gz WKYYQHNXACYJIE-UHFFFAOYSA-N 0 0 407.426 4.023 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000518661525 927413063 /nfs/dbraw/zinc/41/30/63/927413063.db2.gz KHSCXZMGIZLGHC-HNAYVOBHSA-N 0 0 424.906 4.003 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccccc2Oc2cccc(F)c2)cc1 ZINC000518665755 927418049 /nfs/dbraw/zinc/41/80/49/927418049.db2.gz NOIFRLNDBRGWSQ-UHFFFAOYSA-N 0 0 416.430 4.146 20 5 HIBDRN CCCCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@@H](C)CCC ZINC000518706394 927447682 /nfs/dbraw/zinc/44/76/82/927447682.db2.gz MPOUFFSDJGUREM-INIZCTEOSA-N 0 0 414.506 4.270 20 5 HIBDRN CCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000518727732 927458851 /nfs/dbraw/zinc/45/88/51/927458851.db2.gz YODJRESTHFPKOQ-AWEZNQCLSA-N 0 0 418.515 4.427 20 5 HIBDRN CC(C)(C)c1ncc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000518779322 927488308 /nfs/dbraw/zinc/48/83/08/927488308.db2.gz KZYRPFXOOSOXKZ-UHFFFAOYSA-N 0 0 411.384 4.142 20 5 HIBDRN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000518801566 927500157 /nfs/dbraw/zinc/50/01/57/927500157.db2.gz SVKBFKVVSBHBPC-INIZCTEOSA-N 0 0 421.291 4.079 20 5 HIBDRN COc1ccc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000518808043 927504888 /nfs/dbraw/zinc/50/48/88/927504888.db2.gz XLGBOWNXENTZRU-SFHVURJKSA-N 0 0 417.893 4.041 20 5 HIBDRN O=C(NCC1(Sc2ccccc2)CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518808781 927505195 /nfs/dbraw/zinc/50/51/95/927505195.db2.gz NFSCQLHITDCFMJ-UHFFFAOYSA-N 0 0 400.456 4.158 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccnc1OC1CCCC1 ZINC000518836133 927535321 /nfs/dbraw/zinc/53/53/21/927535321.db2.gz CKNZASNVTWYDQD-ZDUSSCGKSA-N 0 0 419.865 4.048 20 5 HIBDRN Cc1cc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)cc([N+](=O)[O-])c1 ZINC000518907540 927616528 /nfs/dbraw/zinc/61/65/28/927616528.db2.gz QJVPQKDFGVYSBF-UHFFFAOYSA-N 0 0 405.458 4.449 20 5 HIBDRN CCc1cccc2c(CCNC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])c[nH]c21 ZINC000518936482 927642457 /nfs/dbraw/zinc/64/24/57/927642457.db2.gz JOPFPIPISRAPNC-UHFFFAOYSA-N 0 0 413.499 4.342 20 5 HIBDRN COc1ccc(CNC(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000518984619 927676214 /nfs/dbraw/zinc/67/62/14/927676214.db2.gz CUWCHPXQYQRRCQ-CQSZACIVSA-N 0 0 421.856 4.313 20 5 HIBDRN COc1cc(OCC(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000519017076 927696088 /nfs/dbraw/zinc/69/60/88/927696088.db2.gz DBTNQDPYWBDGPG-LBPRGKRZSA-N 0 0 412.364 4.221 20 5 HIBDRN C[C@@H](CSc1ccc(F)cc1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000519026252 927701753 /nfs/dbraw/zinc/70/17/53/927701753.db2.gz IENBLJHWTJAQIJ-ZDUSSCGKSA-N 0 0 401.463 4.302 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000519026258 927701790 /nfs/dbraw/zinc/70/17/90/927701790.db2.gz IRLLNPZSKJYTLR-MRXNPFEDSA-N 0 0 411.336 4.099 20 5 HIBDRN COc1cc(OCC(=O)N(Cc2ccco2)Cc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000519048707 927723252 /nfs/dbraw/zinc/72/32/52/927723252.db2.gz ZNHFNCPPEAIDHT-UHFFFAOYSA-N 0 0 410.426 4.113 20 5 HIBDRN Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000519064221 927743340 /nfs/dbraw/zinc/74/33/40/927743340.db2.gz ORAMKFBGUGHLCV-UHFFFAOYSA-N 0 0 406.485 4.257 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000519073502 927750382 /nfs/dbraw/zinc/75/03/82/927750382.db2.gz XWMWKYWQFDRTSQ-HNNXBMFYSA-N 0 0 409.467 4.341 20 5 HIBDRN CC(C)(C)CCCCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000519119529 927786456 /nfs/dbraw/zinc/78/64/56/927786456.db2.gz SYTOQHDTOUSVIQ-UHFFFAOYSA-N 0 0 404.248 4.146 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000519163362 927807928 /nfs/dbraw/zinc/80/79/28/927807928.db2.gz BHRAMUMMQHINDF-UHFFFAOYSA-N 0 0 423.498 4.068 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000519504612 927996690 /nfs/dbraw/zinc/99/66/90/927996690.db2.gz YOTRLNISTSCUOQ-UHFFFAOYSA-N 0 0 420.853 4.363 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2NC(C)=O)c1 ZINC000519657127 928036636 /nfs/dbraw/zinc/03/66/36/928036636.db2.gz WBEKFXPPHUURNX-UHFFFAOYSA-N 0 0 411.336 4.223 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000519692511 928050865 /nfs/dbraw/zinc/05/08/65/928050865.db2.gz ANMGCYFZYNOILD-CQSZACIVSA-N 0 0 405.882 4.067 20 5 HIBDRN C[N@H+](Cc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000519892371 928126861 /nfs/dbraw/zinc/12/68/61/928126861.db2.gz ZXTIQJCJBYFWKN-UHFFFAOYSA-N 0 0 421.494 4.299 20 5 HIBDRN CCC[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000519899676 928135042 /nfs/dbraw/zinc/13/50/42/928135042.db2.gz HHSIZIRIKWLGGT-KRWDZBQOSA-N 0 0 424.284 4.289 20 5 HIBDRN CNc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1[N+](=O)[O-] ZINC000520062536 928287319 /nfs/dbraw/zinc/28/73/19/928287319.db2.gz GBVVNGZXTLRMEE-UHFFFAOYSA-N 0 0 404.264 4.204 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000520070918 928292676 /nfs/dbraw/zinc/29/26/76/928292676.db2.gz IFBUCJWJGXXXGP-GOSISDBHSA-N 0 0 419.840 4.374 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000520101204 928310845 /nfs/dbraw/zinc/31/08/45/928310845.db2.gz OIIRFURZCWTCCV-UHFFFAOYSA-N 0 0 422.228 4.314 20 5 HIBDRN CCOc1cccc([C@@H](C)Nc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])c1 ZINC000520139044 928334797 /nfs/dbraw/zinc/33/47/97/928334797.db2.gz FTDKCUNHBASEPY-OAHLLOKOSA-N 0 0 421.519 4.197 20 5 HIBDRN CCOCCOc1c(Cl)cccc1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000520140761 928336785 /nfs/dbraw/zinc/33/67/85/928336785.db2.gz JGIBNQTVNCUSGQ-CYBMUJFWSA-N 0 0 407.854 4.103 20 5 HIBDRN CC(C)c1ccc(OC2CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000520155116 928347381 /nfs/dbraw/zinc/34/73/81/928347381.db2.gz RBIPKZKMHPXPAI-UHFFFAOYSA-N 0 0 422.478 4.089 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000520156488 928348524 /nfs/dbraw/zinc/34/85/24/928348524.db2.gz LVLFPNGSWAYJEQ-SNVBAGLBSA-N 0 0 419.286 4.292 20 5 HIBDRN O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])o1)C2 ZINC000520243787 928411882 /nfs/dbraw/zinc/41/18/82/928411882.db2.gz KJYCBQKDORXBHQ-UHFFFAOYSA-N 0 0 424.388 4.169 20 5 HIBDRN O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(c1ncccc1[N+](=O)[O-])C2 ZINC000520243591 928412585 /nfs/dbraw/zinc/41/25/85/928412585.db2.gz WLRPDYGWEQPXOE-UHFFFAOYSA-N 0 0 407.405 4.336 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cccc(N(C)C(C)C)c2)cc1[N+](=O)[O-] ZINC000520254729 928419419 /nfs/dbraw/zinc/41/94/19/928419419.db2.gz LRHGQOKOHDDGGK-UHFFFAOYSA-N 0 0 403.504 4.320 20 5 HIBDRN CCOC(=O)C(C)(C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000520262512 928426465 /nfs/dbraw/zinc/42/64/65/928426465.db2.gz HPAMDXAFNRHYIA-UHFFFAOYSA-N 0 0 416.396 4.055 20 5 HIBDRN C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000520284562 928446971 /nfs/dbraw/zinc/44/69/71/928446971.db2.gz TUHJGHMIXIUSDI-AWEZNQCLSA-N 0 0 414.849 4.080 20 5 HIBDRN O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000520292100 928454518 /nfs/dbraw/zinc/45/45/18/928454518.db2.gz WNPJFDCIBJSEMY-KRWDZBQOSA-N 0 0 405.857 4.172 20 5 HIBDRN O=C(Nc1ccccc1NCC(F)(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000520312528 928473664 /nfs/dbraw/zinc/47/36/64/928473664.db2.gz BHNKXGYVQDJTHC-UHFFFAOYSA-N 0 0 406.320 4.075 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(-c2nc([C@H](CCCOC)c3ccc(Cl)cc3)no2)n1 ZINC000520384846 928537893 /nfs/dbraw/zinc/53/78/93/928537893.db2.gz BJHYQCOARMSFCS-CQSZACIVSA-N 0 0 405.842 4.073 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000520389044 928540843 /nfs/dbraw/zinc/54/08/43/928540843.db2.gz VNAUMVDGCVFUQD-GUYCJALGSA-N 0 0 406.841 4.388 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000520389042 928541285 /nfs/dbraw/zinc/54/12/85/928541285.db2.gz VNAUMVDGCVFUQD-CXAGYDPISA-N 0 0 406.841 4.388 20 5 HIBDRN Cc1nnc(-c2ccccc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000520410016 928551232 /nfs/dbraw/zinc/55/12/32/928551232.db2.gz KFDUPUNGLAMKIU-JTQLQIEISA-N 0 0 402.794 4.013 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc(Cl)c1Br ZINC000520453585 928574097 /nfs/dbraw/zinc/57/40/97/928574097.db2.gz GBMHZZBSNZGLHS-UHFFFAOYSA-N 0 0 405.582 4.470 20 5 HIBDRN Cc1cc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc([N+](=O)[O-])c1 ZINC000520458057 928576470 /nfs/dbraw/zinc/57/64/70/928576470.db2.gz RURMPNJLIGEPIR-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000520475585 928587600 /nfs/dbraw/zinc/58/76/00/928587600.db2.gz ILIBHSIIMMJIJX-UHFFFAOYSA-N 0 0 407.417 4.359 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n(-c2ccccn2)n1 ZINC000520528961 928620537 /nfs/dbraw/zinc/62/05/37/928620537.db2.gz QQQGAJUESQUXDZ-UHFFFAOYSA-N 0 0 404.430 4.207 20 5 HIBDRN Cc1[nH]nc(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000520537991 928627176 /nfs/dbraw/zinc/62/71/76/928627176.db2.gz UUTFALKFJUCTQT-UHFFFAOYSA-N 0 0 402.842 4.015 20 5 HIBDRN COc1cc(OCC(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000520544068 928632309 /nfs/dbraw/zinc/63/23/09/928632309.db2.gz HYYBIFWYWBFVKP-GFCCVEGCSA-N 0 0 412.364 4.221 20 5 HIBDRN COc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)cc1[N+](=O)[O-] ZINC000520559322 928640282 /nfs/dbraw/zinc/64/02/82/928640282.db2.gz XBCQLALLGOTDRS-GOSISDBHSA-N 0 0 410.879 4.077 20 5 HIBDRN CCOc1cc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC ZINC000520584808 928654826 /nfs/dbraw/zinc/65/48/26/928654826.db2.gz OFOMNCQKSJQHDM-MRXNPFEDSA-N 0 0 414.462 4.111 20 5 HIBDRN CCOc1ccc(OC)cc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000520624660 928681436 /nfs/dbraw/zinc/68/14/36/928681436.db2.gz UEXMEJYZQJSIQN-UHFFFAOYSA-N 0 0 424.457 4.116 20 5 HIBDRN O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000520676564 928723163 /nfs/dbraw/zinc/72/31/63/928723163.db2.gz LYVKPOISKMRXOA-QGZVFWFLSA-N 0 0 407.392 4.084 20 5 HIBDRN Cc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(Br)c1 ZINC000520691918 928738418 /nfs/dbraw/zinc/73/84/18/928738418.db2.gz IHDPLPMUTWEEFK-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1ccc(-n2nc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c3c2CCC3)c(C)c1 ZINC000520717527 928766099 /nfs/dbraw/zinc/76/60/99/928766099.db2.gz BNJMJFFXQTWBPO-MRXNPFEDSA-N 0 0 404.470 4.377 20 5 HIBDRN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520724620 928774076 /nfs/dbraw/zinc/77/40/76/928774076.db2.gz ABLZIVNOCHIITA-UHFFFAOYSA-N 0 0 419.363 4.118 20 5 HIBDRN Cc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(OCC(F)(F)F)c1 ZINC000520733066 928782527 /nfs/dbraw/zinc/78/25/27/928782527.db2.gz CLASARUNFZQVMK-UHFFFAOYSA-N 0 0 420.347 4.282 20 5 HIBDRN C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000520756362 928803197 /nfs/dbraw/zinc/80/31/97/928803197.db2.gz IESQJIPYRBTUOG-YMRXKLBXSA-N 0 0 404.264 4.274 20 5 HIBDRN NC(=O)c1ccc(-c2nc(CSCCOc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000520818137 928832311 /nfs/dbraw/zinc/83/23/11/928832311.db2.gz VMEPZNSQTQKSKO-UHFFFAOYSA-N 0 0 415.496 4.129 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000520934444 928881577 /nfs/dbraw/zinc/88/15/77/928881577.db2.gz DLKKTPNCCATXKL-UHFFFAOYSA-N 0 0 419.466 4.284 20 5 HIBDRN O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520974664 928897729 /nfs/dbraw/zinc/89/77/29/928897729.db2.gz BSPDWQHNIAIVGC-UHFFFAOYSA-N 0 0 405.385 4.189 20 5 HIBDRN CCCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1OC ZINC000520998780 928914602 /nfs/dbraw/zinc/91/46/02/928914602.db2.gz IJWBTGFKSHOALM-MRXNPFEDSA-N 0 0 401.463 4.165 20 5 HIBDRN Cc1ccc(NC(=O)Cc2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000521020252 928938763 /nfs/dbraw/zinc/93/87/63/928938763.db2.gz UBGUUVIRVNRMKO-LBPRGKRZSA-N 0 0 416.821 4.261 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCc1nc(C2CCCCC2)cs1 ZINC000521054012 928963100 /nfs/dbraw/zinc/96/31/00/928963100.db2.gz ATFIHOACRDSORI-UHFFFAOYSA-N 0 0 412.515 4.413 20 5 HIBDRN C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000521162826 929034898 /nfs/dbraw/zinc/03/48/98/929034898.db2.gz DIYVQKCZQUPSCR-KRWDZBQOSA-N 0 0 421.453 4.215 20 5 HIBDRN O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000521179964 929046799 /nfs/dbraw/zinc/04/67/99/929046799.db2.gz HIUQSVDNKKBJJT-JXFKEZNVSA-N 0 0 405.454 4.380 20 5 HIBDRN O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000521179965 929047507 /nfs/dbraw/zinc/04/75/07/929047507.db2.gz HIUQSVDNKKBJJT-OXJNMPFZSA-N 0 0 405.454 4.380 20 5 HIBDRN O=C(CCc1cc(F)ccc1F)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000521196821 929056320 /nfs/dbraw/zinc/05/63/20/929056320.db2.gz DYJNETHRRZXEJH-UHFFFAOYSA-N 0 0 417.334 4.053 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC000521240429 929074554 /nfs/dbraw/zinc/07/45/54/929074554.db2.gz RHAWCXABZXTHDJ-JKSUJKDBSA-N 0 0 415.515 4.107 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000521275659 929095121 /nfs/dbraw/zinc/09/51/21/929095121.db2.gz NXQANUZMRGHVCC-LLVKDONJSA-N 0 0 403.822 4.003 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(c2nc3ccccc3s2)CC1 ZINC000521304228 929113917 /nfs/dbraw/zinc/11/39/17/929113917.db2.gz VMLOAHFJLJMYRK-UHFFFAOYSA-N 0 0 417.437 4.431 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000521320013 929132122 /nfs/dbraw/zinc/13/21/22/929132122.db2.gz YTONBRMDAQMLBJ-UHFFFAOYSA-N 0 0 410.455 4.453 20 5 HIBDRN CCOc1ccc(Oc2cc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3)ccn2)cc1 ZINC000521336098 929150069 /nfs/dbraw/zinc/15/00/69/929150069.db2.gz XGZWASXFYDNOKS-UHFFFAOYSA-N 0 0 411.389 4.250 20 5 HIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000521336750 929150862 /nfs/dbraw/zinc/15/08/62/929150862.db2.gz 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CC[C@@H](C)Oc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)ccn1 ZINC000538537703 938643995 /nfs/dbraw/zinc/64/39/95/938643995.db2.gz OJYSIVJGSKAAMG-CYBMUJFWSA-N 0 0 411.380 4.372 20 5 HIBDRN Cc1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)nn1[C@@H](C)C1CC1 ZINC000538551681 938647431 /nfs/dbraw/zinc/64/74/31/938647431.db2.gz OERVQDIQUQVTQI-ZDUSSCGKSA-N 0 0 411.487 4.471 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000538566452 938651079 /nfs/dbraw/zinc/65/10/79/938651079.db2.gz UOEFOKHWDTVART-HNNXBMFYSA-N 0 0 413.499 4.343 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCCOc2cc(F)ccc21 ZINC000538578490 938653836 /nfs/dbraw/zinc/65/38/36/938653836.db2.gz KAXCIJFBRMBZLG-INIZCTEOSA-N 0 0 423.238 4.069 20 5 HIBDRN Cc1c(Br)cc(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000538580794 938654520 /nfs/dbraw/zinc/65/45/20/938654520.db2.gz GDDCDFRIQZRFPG-UHFFFAOYSA-N 0 0 417.181 4.355 20 5 HIBDRN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)nn1-c1ccc(Cl)c(Cl)c1 ZINC000538593489 938657719 /nfs/dbraw/zinc/65/77/19/938657719.db2.gz UNONJIYQNSWIMC-UHFFFAOYSA-N 0 0 406.229 4.230 20 5 HIBDRN CCCc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000538596732 938658374 /nfs/dbraw/zinc/65/83/74/938658374.db2.gz PFIWULVRSBTWJY-KGLIPLIRSA-N 0 0 410.396 4.355 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@H]1C1CCOCC1 ZINC000538601055 938659088 /nfs/dbraw/zinc/65/90/88/938659088.db2.gz GAPGKFNGNJUHFC-NRFANRHFSA-N 0 0 409.486 4.238 20 5 HIBDRN CC(C)N1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538602825 938659605 /nfs/dbraw/zinc/65/96/05/938659605.db2.gz ZRBVCSKLHYCIAW-FPOVZHCZSA-N 0 0 419.884 4.270 20 5 HIBDRN O=C(Nc1ccccc1Nc1ccccc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000538606587 938660385 /nfs/dbraw/zinc/66/03/85/938660385.db2.gz BVVWVXPACSWYBW-UHFFFAOYSA-N 0 0 400.398 4.171 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)c1[N+](=O)[O-] ZINC000538622013 938664311 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Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2cc(C(F)(F)F)ccc2-n2cncn2)no1 ZINC000545015795 940533826 /nfs/dbraw/zinc/53/38/26/940533826.db2.gz DNVBYLROAFDJEC-UHFFFAOYSA-N 0 0 416.319 4.220 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(/C=C/c3cncc(F)c3)n2)c(Br)c1 ZINC000545017950 940533911 /nfs/dbraw/zinc/53/39/11/940533911.db2.gz USECOKOHXYIDLM-DAFODLJHSA-N 0 0 405.183 4.036 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc4nc(C(F)F)[nH]c4c3)n2)ccc1[N+](=O)[O-] ZINC000545055746 940537835 /nfs/dbraw/zinc/53/78/35/940537835.db2.gz UQMCDNYDQYNMOY-UHFFFAOYSA-N 0 0 401.329 4.058 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc(-n4nc(C)cc4C)c(F)c3)n2)ccc1[N+](=O)[O-] ZINC000545057986 940537931 /nfs/dbraw/zinc/53/79/31/940537931.db2.gz VPBRCYPCFBIMPM-UHFFFAOYSA-N 0 0 423.404 4.186 20 5 HIBDRN COc1ccc2nc(C3CC3)cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)c2c1 ZINC000545071517 940539128 /nfs/dbraw/zinc/53/91/28/940539128.db2.gz MLYLZOBPQGHJRO-UHFFFAOYSA-N 0 0 403.398 4.065 20 5 HIBDRN O=C(Nc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1)c1ccc(F)cc1 ZINC000545071133 940539139 /nfs/dbraw/zinc/53/91/39/940539139.db2.gz CNAPGTDVHYYQDV-UHFFFAOYSA-N 0 0 419.372 4.022 20 5 HIBDRN COc1cc(/C=C\c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cc(OC)c1OC ZINC000545072261 940539266 /nfs/dbraw/zinc/53/92/66/940539266.db2.gz GNDWELNZJIBSLR-HJWRWDBZSA-N 0 0 411.414 4.073 20 5 HIBDRN COc1cc(Cc2noc(Cc3ccc(F)c(Br)c3)n2)ccc1[N+](=O)[O-] ZINC000545073494 940539329 /nfs/dbraw/zinc/53/93/29/940539329.db2.gz ZJUNZFFJYAQKOT-UHFFFAOYSA-N 0 0 422.210 4.070 20 5 HIBDRN COc1cc(OC)c(OC)cc1/C=C/c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000545073009 940539360 /nfs/dbraw/zinc/53/93/60/940539360.db2.gz DJWSZDSILBHEQK-SOFGYWHQSA-N 0 0 411.414 4.073 20 5 HIBDRN CC[C@H](C)n1ncc2c1nc(C)cc2-c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000545074216 940539508 /nfs/dbraw/zinc/53/95/08/940539508.db2.gz LPQHUQGGXPLITJ-ZDUSSCGKSA-N 0 0 422.445 4.268 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(/C=C/c3ccc(Oc4cccnc4)c(F)c3)n2)nc1 ZINC000545075721 940539830 /nfs/dbraw/zinc/53/98/30/940539830.db2.gz NCVWADZNDFOXJO-XBXARRHUSA-N 0 0 419.372 4.460 20 5 HIBDRN Cc1cc(-c2noc(CCc3nc(Cc4cccc([N+](=O)[O-])c4C)no3)n2)ccc1F ZINC000545078307 940540201 /nfs/dbraw/zinc/54/02/01/940540201.db2.gz HDGJDTNXPZSXHZ-UHFFFAOYSA-N 0 0 423.404 4.160 20 5 HIBDRN CS[C@@H]1C(=O)Nc2ccc(-c3noc(-c4ccc(Cl)cc4[N+](=O)[O-])n3)cc21 ZINC000545080924 940540526 /nfs/dbraw/zinc/54/05/26/940540526.db2.gz FAILUKMMCRINKG-AWEZNQCLSA-N 0 0 402.819 4.321 20 5 HIBDRN CC[C@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(=O)c1ccc(Cl)cc1 ZINC000545112654 940543978 /nfs/dbraw/zinc/54/39/78/940543978.db2.gz DEXFNQQGENLDLK-INIZCTEOSA-N 0 0 417.874 4.249 20 5 HIBDRN Cc1cc(C)c(NC(=O)CN(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000545119318 940544563 /nfs/dbraw/zinc/54/45/63/940544563.db2.gz CIQQNIGGCJDOQJ-UHFFFAOYSA-N 0 0 415.465 4.034 20 5 HIBDRN CC(C)(C(=O)Nc1nnc(Cc2ccccc2F)s1)c1ccc([N+](=O)[O-])cc1F ZINC000545122665 940544925 /nfs/dbraw/zinc/54/49/25/940544925.db2.gz YYJZIQNUWXKTKW-UHFFFAOYSA-N 0 0 418.425 4.232 20 5 HIBDRN Cc1ccc(C)c(N2N=C(c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)CCC2=O)c1 ZINC000545144326 940549852 /nfs/dbraw/zinc/54/98/52/940549852.db2.gz QZFULZRYSPCMGV-UHFFFAOYSA-N 0 0 419.441 4.025 20 5 HIBDRN CCN(Cc1ccccc1Br)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000545256616 940558972 /nfs/dbraw/zinc/55/89/72/940558972.db2.gz UQABMSXJVKEOKW-UHFFFAOYSA-N 0 0 416.275 4.430 20 5 HIBDRN CC(=O)N1CCc2c1cccc2NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000545304957 940560978 /nfs/dbraw/zinc/56/09/78/940560978.db2.gz NSOPILIPCHEBSZ-UHFFFAOYSA-N 0 0 416.437 4.500 20 5 HIBDRN Cc1cc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc([N+](=O)[O-])c1 ZINC000545398844 940568360 /nfs/dbraw/zinc/56/83/60/940568360.db2.gz HWXXPZUGHAOYAB-UHFFFAOYSA-N 0 0 419.275 4.349 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000545439537 940570009 /nfs/dbraw/zinc/57/00/09/940570009.db2.gz NOKNMQGVPZEPGA-OAHLLOKOSA-N 0 0 420.469 4.471 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)Nc3nnc(C4CCC4)[nH]3)cc2[N+](=O)[O-])n1 ZINC000545445223 940570192 /nfs/dbraw/zinc/57/01/92/940570192.db2.gz UIRVWCLILKEFKO-UHFFFAOYSA-N 0 0 416.488 4.149 20 5 HIBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1 ZINC000545471549 940571223 /nfs/dbraw/zinc/57/12/23/940571223.db2.gz KBFDMKOQUQQQSK-UHFFFAOYSA-N 0 0 409.467 4.010 20 5 HIBDRN COc1ccc(C(=O)CC(C)(C)Cc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)cc1 ZINC000545552361 940574502 /nfs/dbraw/zinc/57/45/02/940574502.db2.gz YNIBFJUTSSVVCZ-UHFFFAOYSA-N 0 0 410.430 4.077 20 5 HIBDRN Cc1ccc(-c2noc(CCNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1[N+](=O)[O-] ZINC000545564941 940574838 /nfs/dbraw/zinc/57/48/38/940574838.db2.gz GASFMKSNGRUENN-UHFFFAOYSA-N 0 0 408.458 4.223 20 5 HIBDRN Cc1ccc(-c2noc(-c3cccc(NC(=O)c4cccnc4)c3)n2)cc1[N+](=O)[O-] ZINC000545566123 940574904 /nfs/dbraw/zinc/57/49/04/940574904.db2.gz ZFDZZJIPZYENAG-UHFFFAOYSA-N 0 0 401.382 4.268 20 5 HIBDRN CC(C)C(=O)Nc1cccc(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)c1 ZINC000545595438 940576463 /nfs/dbraw/zinc/57/64/63/940576463.db2.gz HRIXRFIEFYYYEK-UHFFFAOYSA-N 0 0 418.413 4.092 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1nc(-c2ccc(COCC(F)(F)F)cc2)no1 ZINC000545601344 940576726 /nfs/dbraw/zinc/57/67/26/940576726.db2.gz LTQNACPZVUMPSO-UHFFFAOYSA-N 0 0 422.363 4.378 20 5 HIBDRN COc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc([N+](=O)[O-])c1OC ZINC000545617717 940577493 /nfs/dbraw/zinc/57/74/93/940577493.db2.gz YODMWUPNFDDKCB-UHFFFAOYSA-N 0 0 411.292 4.228 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3cccnc3N3CCCCC3)no2)ccc1N1CCCC1 ZINC000545619123 940577577 /nfs/dbraw/zinc/57/75/77/940577577.db2.gz QPDDFBCFGCSBTD-UHFFFAOYSA-N 0 0 420.473 4.297 20 5 HIBDRN Cc1c[nH]c(=O)n1-c1cccc(-c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)c1 ZINC000545646912 940578753 /nfs/dbraw/zinc/57/87/53/940578753.db2.gz LZJKGPPEXRZSGW-UHFFFAOYSA-N 0 0 403.354 4.258 20 5 HIBDRN Cc1oc(-c2ccccc2)nc1Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000545675695 940580111 /nfs/dbraw/zinc/58/01/11/940580111.db2.gz MENQYRWDRGBQDA-UHFFFAOYSA-N 0 0 405.414 4.187 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2ccc(OCC3CC3)nc2)no1 ZINC000545676869 940580132 /nfs/dbraw/zinc/58/01/32/940580132.db2.gz GWBWSTSLBGMIFR-UHFFFAOYSA-N 0 0 416.821 4.104 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000545695411 940581277 /nfs/dbraw/zinc/58/12/77/940581277.db2.gz GVCUSPOFKYABKI-HNNXBMFYSA-N 0 0 410.405 4.112 20 5 HIBDRN CCOC(=O)c1cc(-c2nc([C@@H](C)c3c(F)cccc3F)no2)cc([N+](=O)[O-])c1 ZINC000545719356 940582179 /nfs/dbraw/zinc/58/21/79/940582179.db2.gz WXMLIBILBFWRLD-JTQLQIEISA-N 0 0 403.341 4.252 20 5 HIBDRN Cc1cccc2c(Cc3noc(-c4cnn(-c5ccc([N+](=O)[O-])cc5)c4)n3)c[nH]c21 ZINC000545720199 940582259 /nfs/dbraw/zinc/58/22/59/940582259.db2.gz NISWVGDRPIMHDQ-UHFFFAOYSA-N 0 0 400.398 4.211 20 5 HIBDRN C/C(=C\c1nc(CN(C(=O)c2ccccc2)C2CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000545728858 940582666 /nfs/dbraw/zinc/58/26/66/940582666.db2.gz AIZBAPLIQKUXBA-FYWRMAATSA-N 0 0 404.426 4.343 20 5 HIBDRN Cc1ccncc1/C=C/c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000545743236 940583277 /nfs/dbraw/zinc/58/32/77/940583277.db2.gz POPCRRRLNWMMNC-HWKANZROSA-N 0 0 401.220 4.205 20 5 HIBDRN C[C@H](c1nc(-c2cccc(OCC(F)(F)F)n2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000545758956 940584230 /nfs/dbraw/zinc/58/42/30/940584230.db2.gz RHOUMEFXTGCLAA-VIFPVBQESA-N 0 0 412.299 4.272 20 5 HIBDRN COc1ccc(Cl)cc1/C=C/c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000545762390 940584436 /nfs/dbraw/zinc/58/44/36/940584436.db2.gz GKFCHXKFCYJJFY-XBXARRHUSA-N 0 0 401.806 4.410 20 5 HIBDRN CCC[C@H](NC(=O)c1ccccc1)c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000545775674 940585010 /nfs/dbraw/zinc/58/50/10/940585010.db2.gz MVQGOMIXNNWMQT-INIZCTEOSA-N 0 0 416.384 4.389 20 5 HIBDRN COc1cc(Cc2noc(Cc3csc(-c4ccc(C)o4)n3)n2)ccc1[N+](=O)[O-] ZINC000545784356 940591020 /nfs/dbraw/zinc/59/10/20/940591020.db2.gz KRHSJJATTVRRHR-UHFFFAOYSA-N 0 0 412.427 4.193 20 5 HIBDRN CCCOc1ccc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1OCC ZINC000545784393 940591067 /nfs/dbraw/zinc/59/10/67/940591067.db2.gz FMPXZVRXSKCAEN-UXBLZVDNSA-N 0 0 410.430 4.322 20 5 HIBDRN Cc1c(Cc2noc([C@@H]3CC(=O)N(c4ccccc4Cl)C3)n2)cccc1[N+](=O)[O-] ZINC000545784853 940591735 /nfs/dbraw/zinc/59/17/35/940591735.db2.gz FTOZXURZEVTWAO-CQSZACIVSA-N 0 0 412.833 4.051 20 5 HIBDRN COc1ccc(-c2ccc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)c(F)c2)cc1 ZINC000545786887 940593658 /nfs/dbraw/zinc/59/36/58/940593658.db2.gz RHYPIVMURARITA-UHFFFAOYSA-N 0 0 406.373 4.445 20 5 HIBDRN CS[C@H]1C(=O)Nc2ccc(-c3noc(Cn4ccc5cc([N+](=O)[O-])ccc54)n3)cc21 ZINC000545796350 940598791 /nfs/dbraw/zinc/59/87/91/940598791.db2.gz KAYFEIZSJVHKCY-GOSISDBHSA-N 0 0 421.438 4.004 20 5 HIBDRN COc1cc(-c2nc([C@@H](OC)c3ccc(Br)cc3)no2)ccc1[N+](=O)[O-] ZINC000545813698 940608431 /nfs/dbraw/zinc/60/84/31/940608431.db2.gz SCNHSEBOSJZTIW-HNNXBMFYSA-N 0 0 420.219 4.152 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccncc4N4CCCC4)no3)cs2)c1 ZINC000545817262 940611917 /nfs/dbraw/zinc/61/19/17/940611917.db2.gz SJFUOOZYWNUSAP-UHFFFAOYSA-N 0 0 420.454 4.431 20 5 HIBDRN Cn1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)n1 ZINC000545819348 940613206 /nfs/dbraw/zinc/61/32/06/940613206.db2.gz FJDSOUFDIQAIGF-KRWDZBQOSA-N 0 0 405.241 4.155 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000545827167 940618869 /nfs/dbraw/zinc/61/88/69/940618869.db2.gz FOJQDUMAXGTKKK-CYBMUJFWSA-N 0 0 401.438 4.179 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000545831195 940620092 /nfs/dbraw/zinc/62/00/92/940620092.db2.gz STQSLOQICYQWDP-INIZCTEOSA-N 0 0 419.503 4.133 20 5 HIBDRN CC(C)(C(=O)N1CC[C@@H](COCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000545831390 940620657 /nfs/dbraw/zinc/62/06/57/940620657.db2.gz YAACEIFLAMZKNV-QGZVFWFLSA-N 0 0 400.450 4.077 20 5 HIBDRN CC(C)(C)NC(=O)c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000545831468 940620679 /nfs/dbraw/zinc/62/06/79/940620679.db2.gz BCEMXWHUYGYAGB-UHFFFAOYSA-N 0 0 401.438 4.179 20 5 HIBDRN O=[N+]([O-])c1cnn(CCc2nc(-c3ccc(Nc4ccc(Cl)cc4)cc3)no2)c1 ZINC000545840485 940626003 /nfs/dbraw/zinc/62/60/03/940626003.db2.gz FGPRYBNALOPYKE-UHFFFAOYSA-N 0 0 410.821 4.481 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)cc1 ZINC000545852153 940635972 /nfs/dbraw/zinc/63/59/72/940635972.db2.gz OMJZNKGNDOVZBA-HNNXBMFYSA-N 0 0 417.805 4.045 20 5 HIBDRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000563984862 945337095 /nfs/dbraw/zinc/33/70/95/945337095.db2.gz YZMDAKHHDNIKMO-ZDUSSCGKSA-N 0 0 423.282 4.376 20 5 HIBDRN Cc1noc(C)c1CO[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000545872584 940646847 /nfs/dbraw/zinc/64/68/47/940646847.db2.gz IYKLJWBCDUCWPC-LJQANCHMSA-N 0 0 421.453 4.226 20 5 HIBDRN O=C(NC1CC(OCc2ccccc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000545921099 940658603 /nfs/dbraw/zinc/65/86/03/940658603.db2.gz DOWRDDNEMKEUIM-UHFFFAOYSA-N 0 0 424.375 4.014 20 5 HIBDRN COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2ncccc12 ZINC000546019662 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ZINC000546514322 940840540 /nfs/dbraw/zinc/84/05/40/940840540.db2.gz IMPLRAKWMMRNTF-OQVWFOMZSA-N 0 0 406.442 4.110 20 5 HIBDRN CO[C@@H](c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1)c1ccc(F)cc1 ZINC000546517186 940841029 /nfs/dbraw/zinc/84/10/29/940841029.db2.gz PVFSBJOYOMKLEF-HSZRJFAPSA-N 0 0 415.424 4.461 20 5 HIBDRN COc1ccc2c(c1)CCC[C@@H]2c1noc(-c2cc(OC)c(OC)c([N+](=O)[O-])c2)n1 ZINC000546519466 940841403 /nfs/dbraw/zinc/84/14/03/940841403.db2.gz WNFOBHFRNMGLJO-INIZCTEOSA-N 0 0 411.414 4.139 20 5 HIBDRN CC(C)(C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000546536506 940846645 /nfs/dbraw/zinc/84/66/45/940846645.db2.gz IFCMIOZKDOFIOB-UHFFFAOYSA-N 0 0 422.416 4.298 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4cccc(OC[C@H]5CCCO5)c4)n3)c2c1 ZINC000546558169 940852263 /nfs/dbraw/zinc/85/22/63/940852263.db2.gz GAJJVECBJWMCTE-GOSISDBHSA-N 0 0 420.425 4.275 20 5 HIBDRN CC(=O)N(c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1)[C@H]1C[C@H]1C ZINC000564025474 945354621 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CC(C)(C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000547233865 941039848 /nfs/dbraw/zinc/03/98/48/941039848.db2.gz NNSADCMSKVNQFR-RHSMWYFYSA-N 0 0 421.266 4.446 20 5 HIBDRN CC(C)(C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000547239412 941040831 /nfs/dbraw/zinc/04/08/31/941040831.db2.gz GDWNFPZTMYJGRF-AWEZNQCLSA-N 0 0 405.857 4.060 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000547248203 941042883 /nfs/dbraw/zinc/04/28/83/941042883.db2.gz RDVZAGUOXNFBNK-ZDUSSCGKSA-N 0 0 404.438 4.296 20 5 HIBDRN O=[N+]([O-])c1cnn(CCc2nc(CC3(SCc4ccccc4)CCCC3)no2)c1 ZINC000547249321 941043098 /nfs/dbraw/zinc/04/30/98/941043098.db2.gz HKUFASRAOVOJLH-UHFFFAOYSA-N 0 0 413.503 4.206 20 5 HIBDRN O=C(NCC(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000547332271 941056474 /nfs/dbraw/zinc/05/64/74/941056474.db2.gz PTUBWEHSLAYVKW-UHFFFAOYSA-N 0 0 418.449 4.155 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000547372463 941059059 /nfs/dbraw/zinc/05/90/59/941059059.db2.gz RXBWWNVYDOSWSB-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(OC)c(Br)s1 ZINC000547373176 941059099 /nfs/dbraw/zinc/05/90/99/941059099.db2.gz XLTBOHGEZAWAKS-UHFFFAOYSA-N 0 0 401.238 4.078 20 5 HIBDRN CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000547747339 941074541 /nfs/dbraw/zinc/07/45/41/941074541.db2.gz AQSXAZONVOFFJY-INIZCTEOSA-N 0 0 406.486 4.325 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000547986219 941081909 /nfs/dbraw/zinc/08/19/09/941081909.db2.gz OAGKTUJUHWJMST-INIZCTEOSA-N 0 0 404.394 4.301 20 5 HIBDRN Cc1cc(Br)c(F)cc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548102009 941086601 /nfs/dbraw/zinc/08/66/01/941086601.db2.gz ZFPIYOOQVQKPQX-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN C[C@@]1(c2ccccc2)CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000548115792 941087736 /nfs/dbraw/zinc/08/77/36/941087736.db2.gz MJLXZFYRAGBIIJ-SFHVURJKSA-N 0 0 409.364 4.393 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000548272553 941092813 /nfs/dbraw/zinc/09/28/13/941092813.db2.gz MUCLPHLZCQKDDT-KGLIPLIRSA-N 0 0 407.289 4.365 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000548272555 941092938 /nfs/dbraw/zinc/09/29/38/941092938.db2.gz MUCLPHLZCQKDDT-ZIAGYGMSSA-N 0 0 407.289 4.365 20 5 HIBDRN COC(=O)c1csc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000548378262 941098558 /nfs/dbraw/zinc/09/85/58/941098558.db2.gz UKHINNNQLNHOBO-UHFFFAOYSA-N 0 0 414.389 4.060 20 5 HIBDRN O=C(NCc1ccsc1Br)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000548939303 941131073 /nfs/dbraw/zinc/13/10/73/941131073.db2.gz KQLKXNWZQIFGEZ-UHFFFAOYSA-N 0 0 422.207 4.342 20 5 HIBDRN O=C(Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000548941358 941131639 /nfs/dbraw/zinc/13/16/39/941131639.db2.gz MVEZQPUEAPWZPJ-UHFFFAOYSA-N 0 0 421.438 4.273 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C(C)(C)C ZINC000548981995 941138670 /nfs/dbraw/zinc/13/86/70/941138670.db2.gz YZUHLZNLBBGNNX-SNVBAGLBSA-N 0 0 404.248 4.014 20 5 HIBDRN CC(C)c1noc(Cc2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)n1 ZINC000548995494 941140283 /nfs/dbraw/zinc/14/02/83/941140283.db2.gz BVHKHECRFZXRHO-UHFFFAOYSA-N 0 0 419.441 4.285 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ncc(C(F)(F)F)s1 ZINC000549002880 941141382 /nfs/dbraw/zinc/14/13/82/941141382.db2.gz UXJZASDHADUMMJ-UHFFFAOYSA-N 0 0 414.287 4.411 20 5 HIBDRN C[C@H]1C(=O)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C(=O)N1c1ccc(F)cc1 ZINC000549036441 941146826 /nfs/dbraw/zinc/14/68/26/941146826.db2.gz KKWJEPPFDHKPHX-JTQLQIEISA-N 0 0 411.311 4.110 20 5 HIBDRN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549119238 941162096 /nfs/dbraw/zinc/16/20/96/941162096.db2.gz ZHSJSGDMFLTOAQ-ZDUSSCGKSA-N 0 0 421.375 4.105 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCC(N4CCc5cc(F)ccc54)CC3)co2)cc1 ZINC000549150306 941165857 /nfs/dbraw/zinc/16/58/57/941165857.db2.gz DUCHPCVRVHZNRZ-UHFFFAOYSA-N 0 0 422.460 4.416 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1nccn1-c1ccccc1 ZINC000549222681 941171924 /nfs/dbraw/zinc/17/19/24/941171924.db2.gz UPJJAVYMVRXYDA-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(F)cc2Br)c1 ZINC000549272976 941175939 /nfs/dbraw/zinc/17/59/39/941175939.db2.gz JOGJEEHMBJFKEA-UHFFFAOYSA-N 0 0 411.227 4.167 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000549289756 941177189 /nfs/dbraw/zinc/17/71/89/941177189.db2.gz DNUAKNRTNPEZEW-HNNXBMFYSA-N 0 0 404.291 4.305 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC(c2ccccc2)C1 ZINC000549311751 941178996 /nfs/dbraw/zinc/17/89/96/941178996.db2.gz PCOGQYDHIITRQH-UHFFFAOYSA-N 0 0 400.500 4.257 20 5 HIBDRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000549334525 941180858 /nfs/dbraw/zinc/18/08/58/941180858.db2.gz GMIUWNKOZJZXMW-UHFFFAOYSA-N 0 0 402.422 4.021 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(CSc2nncn2CCc2ccccn2)c1 ZINC000549337080 941180893 /nfs/dbraw/zinc/18/08/93/941180893.db2.gz SPFJWKPINSUSLU-UHFFFAOYSA-N 0 0 409.393 4.135 20 5 HIBDRN CCOC(=O)c1csc(CSc2nc3cc4ccccc4cc3c(=O)n2C)n1 ZINC000549339974 941181224 /nfs/dbraw/zinc/18/12/24/941181224.db2.gz PZAIVCQKMUQYAD-UHFFFAOYSA-N 0 0 411.508 4.012 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC000549369759 941183321 /nfs/dbraw/zinc/18/33/21/941183321.db2.gz KDLGQQIXKQJZRM-UHFFFAOYSA-N 0 0 413.522 4.437 20 5 HIBDRN Cc1c(NC(=O)c2cc(C)ccc2[N+](=O)[O-])nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000549498446 941196676 /nfs/dbraw/zinc/19/66/76/941196676.db2.gz JTPHBIRJCFNQEW-UHFFFAOYSA-N 0 0 419.363 4.123 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(Br)c1Cl ZINC000549514282 941197704 /nfs/dbraw/zinc/19/77/04/941197704.db2.gz DLUVERWJFZSVOZ-UHFFFAOYSA-N 0 0 414.643 4.070 20 5 HIBDRN CC(C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)C1 ZINC000549626269 941201964 /nfs/dbraw/zinc/20/19/64/941201964.db2.gz LZQRLUINYZPTQC-YLJYHZDGSA-N 0 0 413.522 4.295 20 5 HIBDRN O=C(NCCCO)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000549681973 941204276 /nfs/dbraw/zinc/20/42/76/941204276.db2.gz OOPTXQFTJDLIJQ-UHFFFAOYSA-N 0 0 411.483 4.048 20 5 HIBDRN O=[N+]([O-])c1ccc(OC[C@H](O)COCc2ccccc2F)c(-c2cccs2)c1 ZINC000549782140 941207248 /nfs/dbraw/zinc/20/72/48/941207248.db2.gz FSALRKNYNFPWDD-MRXNPFEDSA-N 0 0 403.431 4.419 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Nc2cccc3c2CN(c2ccccn2)C3)cccc1[N+](=O)[O-] ZINC000550067966 941278458 /nfs/dbraw/zinc/27/84/58/941278458.db2.gz DZHUCQNXOHBCEN-MRXNPFEDSA-N 0 0 417.469 4.258 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000550175757 941293405 /nfs/dbraw/zinc/29/34/05/941293405.db2.gz KNMCGNZDAYELJC-QPPBQGQZSA-N 0 0 423.465 4.458 20 5 HIBDRN COc1ccc(OC[C@@H](O)COC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000550177187 941293963 /nfs/dbraw/zinc/29/39/63/941293963.db2.gz RBXGXMFHYVAPKM-LJQANCHMSA-N 0 0 409.438 4.149 20 5 HIBDRN C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-n2cccn2)c(F)c1 ZINC000550227242 941301601 /nfs/dbraw/zinc/30/16/01/941301601.db2.gz DPJLYQLKTHXYGN-CQSZACIVSA-N 0 0 407.405 4.425 20 5 HIBDRN COc1ccc(CNc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000550296298 941310703 /nfs/dbraw/zinc/31/07/03/941310703.db2.gz AMGNNKZENPKCIF-UHFFFAOYSA-N 0 0 417.465 4.347 20 5 HIBDRN Cc1cc(OCC(=O)NCc2ccccc2COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000550297035 941311077 /nfs/dbraw/zinc/31/10/77/941311077.db2.gz JQRAGUOEXQUBPV-UHFFFAOYSA-N 0 0 420.465 4.315 20 5 HIBDRN COC(=O)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 ZINC000550299026 941311275 /nfs/dbraw/zinc/31/12/75/941311275.db2.gz SRGJOPLNLXLZTE-UHFFFAOYSA-N 0 0 421.247 4.024 20 5 HIBDRN CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000550571661 941340795 /nfs/dbraw/zinc/34/07/95/941340795.db2.gz KVRUEDXTXUCVDI-HXUWFJFHSA-N 0 0 407.422 4.283 20 5 HIBDRN COc1cc(OC)c(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1F ZINC000550656853 941350697 /nfs/dbraw/zinc/35/06/97/941350697.db2.gz KTNVVCNHWRKAPJ-UHFFFAOYSA-N 0 0 413.199 4.074 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000550667678 941352325 /nfs/dbraw/zinc/35/23/25/941352325.db2.gz FEWFZFHNSYLZRY-HNNXBMFYSA-N 0 0 403.276 4.371 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000550793628 941367640 /nfs/dbraw/zinc/36/76/40/941367640.db2.gz SXDWCKALMBEWAH-KSSFIOAISA-N 0 0 419.275 4.173 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cccc(F)c3Br)n2)c1 ZINC000551052517 941401244 /nfs/dbraw/zinc/40/12/44/941401244.db2.gz HBMZZFXCFCQKTG-UHFFFAOYSA-N 0 0 408.183 4.146 20 5 HIBDRN CN(C)C(=O)c1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)cc1 ZINC000551338296 941455786 /nfs/dbraw/zinc/45/57/86/941455786.db2.gz SXQMPQWAKGLDRZ-UHFFFAOYSA-N 0 0 406.320 4.032 20 5 HIBDRN Cc1cccn2cc(Cc3noc(-c4cc([N+](=O)[O-])ccc4C(F)(F)F)n3)nc12 ZINC000551354212 941459692 /nfs/dbraw/zinc/45/96/92/941459692.db2.gz QQRVPBMUQMESQV-UHFFFAOYSA-N 0 0 403.320 4.211 20 5 HIBDRN CC(C)Oc1cc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1C(N)=O ZINC000551446320 941480692 /nfs/dbraw/zinc/48/06/92/941480692.db2.gz LXHRZZXGUPPFCG-UHFFFAOYSA-N 0 0 412.471 4.217 20 5 HIBDRN COc1ccc(-c2nc(-c3cccc(OCc4ccccc4)n3)no2)cc1[N+](=O)[O-] ZINC000551472379 941486643 /nfs/dbraw/zinc/48/66/43/941486643.db2.gz RSUZZTMLZYXCGA-UHFFFAOYSA-N 0 0 404.382 4.294 20 5 HIBDRN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000551548113 941499023 /nfs/dbraw/zinc/49/90/23/941499023.db2.gz LZFNSLWZIQBVME-HNNXBMFYSA-N 0 0 402.756 4.385 20 5 HIBDRN O=C(c1cc(F)cc2cccnc21)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000551565235 941502569 /nfs/dbraw/zinc/50/25/69/941502569.db2.gz RRYDYVLHIQCGQH-UHFFFAOYSA-N 0 0 407.323 4.487 20 5 HIBDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000551599388 941509671 /nfs/dbraw/zinc/50/96/71/941509671.db2.gz PQMIKOHWQXFZAZ-UHFFFAOYSA-N 0 0 410.518 4.033 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(c1ccccc1)[C@@H]1CCOC1 ZINC000551655869 941520126 /nfs/dbraw/zinc/52/01/26/941520126.db2.gz LTIKQXOFXGXJHL-CQSZACIVSA-N 0 0 405.248 4.101 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc(Oc2cnccn2)c1 ZINC000551665514 941521619 /nfs/dbraw/zinc/52/16/19/941521619.db2.gz GSDXZYFMJXECAV-UHFFFAOYSA-N 0 0 415.203 4.192 20 5 HIBDRN O=C(CCc1ccnc2ccccc12)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551668009 941521963 /nfs/dbraw/zinc/52/19/63/941521963.db2.gz JRQZFJUAIOPPNE-UHFFFAOYSA-N 0 0 400.232 4.477 20 5 HIBDRN O=C(CSc1nc2ccccc2o1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551668964 941522490 /nfs/dbraw/zinc/52/24/90/941522490.db2.gz YCAZBUUHKDVWHR-UHFFFAOYSA-N 0 0 408.233 4.229 20 5 HIBDRN CSc1cccc(C(=O)N2CCc3ccc(Br)cc3C2)c1[N+](=O)[O-] ZINC000551676125 941524597 /nfs/dbraw/zinc/52/45/97/941524597.db2.gz VNUPWKCJHIWTRN-UHFFFAOYSA-N 0 0 407.289 4.278 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000551697963 941528623 /nfs/dbraw/zinc/52/86/23/941528623.db2.gz GYAKPQZFRFEVPH-HXUWFJFHSA-N 0 0 405.376 4.158 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(F)(F)F)nc3)cc2)c(C)c1[N+](=O)[O-] ZINC000551714946 941531633 /nfs/dbraw/zinc/53/16/33/941531633.db2.gz CFVHPVYKGBBZQC-UHFFFAOYSA-N 0 0 419.363 4.123 20 5 HIBDRN Cn1ccnc1[C@@H](NC[C@H](c1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552066343 941578339 /nfs/dbraw/zinc/57/83/39/941578339.db2.gz GHXWDUBVPDUJOZ-MSOLQXFVSA-N 0 0 404.392 4.353 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CC[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000552131984 941590698 /nfs/dbraw/zinc/59/06/98/941590698.db2.gz HLMHRDHXHOTWBJ-QFBILLFUSA-N 0 0 417.469 4.188 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c2c1CCCN2 ZINC000552216942 941606018 /nfs/dbraw/zinc/60/60/18/941606018.db2.gz KWQZIGLHUXRSLQ-UHFFFAOYSA-N 0 0 401.488 4.252 20 5 HIBDRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000552253134 941614706 /nfs/dbraw/zinc/61/47/06/941614706.db2.gz OYWLITROSVWXHR-UHFFFAOYSA-N 0 0 423.391 4.382 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cccc(Oc2ccc3ccccc3c2)c1 ZINC000552263166 941616928 /nfs/dbraw/zinc/61/69/28/941616928.db2.gz IIPKFKARHOWFSG-UHFFFAOYSA-N 0 0 416.437 4.362 20 5 HIBDRN O=C1CCC(=O)N1c1cc(N[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])ccc1F ZINC000552297057 941626051 /nfs/dbraw/zinc/62/60/51/941626051.db2.gz ZYYCRMOAZWACET-KBXCAEBGSA-N 0 0 411.433 4.211 20 5 HIBDRN CCn1cnnc1NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000552316111 941630228 /nfs/dbraw/zinc/63/02/28/941630228.db2.gz BCLVWCQDKHVFFJ-UHFFFAOYSA-N 0 0 403.851 4.263 20 5 HIBDRN CC[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)OCCc2ccccc21 ZINC000552363833 941645454 /nfs/dbraw/zinc/64/54/54/941645454.db2.gz LIUHEOLXHUAGAS-LJQANCHMSA-N 0 0 408.376 4.222 20 5 HIBDRN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cnn1Cc1ccccc1 ZINC000552372148 941647898 /nfs/dbraw/zinc/64/78/98/941647898.db2.gz STWXGALUERCXGJ-UHFFFAOYSA-N 0 0 402.357 4.002 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cc(C(C)C)[nH]n2)cc1[N+](=O)[O-] ZINC000552397696 941656880 /nfs/dbraw/zinc/65/68/80/941656880.db2.gz NMEVUMXRZFFRLT-UHFFFAOYSA-N 0 0 424.482 4.647 20 5 HIBDRN CC(C)(C)n1ccnc1SCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552397884 941657023 /nfs/dbraw/zinc/65/70/23/941657023.db2.gz CUOKLNLZOZSXQO-UHFFFAOYSA-N 0 0 413.297 4.040 20 5 HIBDRN COc1ccc(Cn2cc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cn2)cc1 ZINC000552458238 941676312 /nfs/dbraw/zinc/67/63/12/941676312.db2.gz XYWOVAHFWYLHQL-UHFFFAOYSA-N 0 0 420.347 4.119 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(C)c1OC ZINC000552482638 941683808 /nfs/dbraw/zinc/68/38/08/941683808.db2.gz AEFUQCGECNOQTB-NSHDSACASA-N 0 0 412.364 4.430 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000552609520 941721514 /nfs/dbraw/zinc/72/15/14/941721514.db2.gz JDPJPWCJIBFWFG-IRXDYDNUSA-N 0 0 403.276 4.162 20 5 HIBDRN CCOC(=O)CCN(C)C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000552686992 941737846 /nfs/dbraw/zinc/73/78/46/941737846.db2.gz ONMHKXWDYSXBGV-UHFFFAOYSA-N 0 0 402.472 4.080 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)c1cccc(Br)c1 ZINC000552714404 941743428 /nfs/dbraw/zinc/74/34/28/941743428.db2.gz RUYGIKLDLBWMLW-UHFFFAOYSA-N 0 0 405.292 4.336 20 5 HIBDRN COc1ccccc1O[C@@H]1CCCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000552724042 941745590 /nfs/dbraw/zinc/74/55/90/941745590.db2.gz IEDKTJHZBORFTM-DOTOQJQBSA-N 0 0 416.499 4.154 20 5 HIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1c2ccc(Br)cc2[C@@H]2CCCC[C@@H]21 ZINC000552764248 941755871 /nfs/dbraw/zinc/75/58/71/941755871.db2.gz YKXPABLOBVIGGW-ZFWWWQNUSA-N 0 0 404.264 4.382 20 5 HIBDRN CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000552780286 941760410 /nfs/dbraw/zinc/76/04/10/941760410.db2.gz KDWAYYZIESICSY-UHFFFAOYSA-N 0 0 419.684 4.226 20 5 HIBDRN O=C(NCCc1cnc(SC2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000552789597 941763840 /nfs/dbraw/zinc/76/38/40/941763840.db2.gz XOJURTBDPBFSRD-UHFFFAOYSA-N 0 0 406.895 4.045 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000552839212 941784015 /nfs/dbraw/zinc/78/40/15/941784015.db2.gz POIYHXPLKJPHLC-ACJLOTCBSA-N 0 0 408.376 4.145 20 5 HIBDRN COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000552889151 941798409 /nfs/dbraw/zinc/79/84/09/941798409.db2.gz LGYKSHJYXYYNCZ-RHSMWYFYSA-N 0 0 414.458 4.234 20 5 HIBDRN Cn1c(Cc2cccs2)nc2cc(C(=O)NCCc3ccccc3[N+](=O)[O-])ccc21 ZINC000553040384 941822837 /nfs/dbraw/zinc/82/28/37/941822837.db2.gz BIGLDUGAQNTKNM-UHFFFAOYSA-N 0 0 420.494 4.106 20 5 HIBDRN COC(=O)c1ccccc1-c1ccccc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000553059238 941826060 /nfs/dbraw/zinc/82/60/60/941826060.db2.gz GGYDMXOPOLFKGD-UHFFFAOYSA-N 0 0 418.449 4.363 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ncnc3sc([N+](=O)[O-])cc31)O[C@H](C)C2 ZINC000553075328 941828877 /nfs/dbraw/zinc/82/88/77/941828877.db2.gz HDFZGEKPPZSBAJ-GMXABZIVSA-N 0 0 412.471 4.290 20 5 HIBDRN CC(C)n1ccnc1CN1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553075217 941828882 /nfs/dbraw/zinc/82/88/82/941828882.db2.gz AFJJETVOYZCOPI-UHFFFAOYSA-N 0 0 412.321 4.391 20 5 HIBDRN CC[C@@](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)(C(=O)OC)c1ccc(Cl)cc1 ZINC000553139112 941839016 /nfs/dbraw/zinc/83/90/16/941839016.db2.gz BNMFFNHRPZLFQO-YUNKPMOVSA-N 0 0 422.840 4.086 20 5 HIBDRN C[C@@H]1Cc2cc(-c3ccc(CNc4cccc(C(N)=O)c4[N+](=O)[O-])cc3)ccc2O1 ZINC000553143590 941840089 /nfs/dbraw/zinc/84/00/89/941840089.db2.gz PLHAFZPWHMYADW-CQSZACIVSA-N 0 0 403.438 4.296 20 5 HIBDRN CCOc1cc(N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000553238370 941854833 /nfs/dbraw/zinc/85/48/33/941854833.db2.gz DOSIQLZTSCFUAI-LJQANCHMSA-N 0 0 411.502 4.101 20 5 HIBDRN COCCN(Cc1cc(Br)cs1)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000553241525 941855516 /nfs/dbraw/zinc/85/55/16/941855516.db2.gz HELFQJHDROLWTB-UHFFFAOYSA-N 0 0 413.293 4.274 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000553259621 941857672 /nfs/dbraw/zinc/85/76/72/941857672.db2.gz XENRYYAJRGDRBW-UHFFFAOYSA-N 0 0 418.453 4.204 20 5 HIBDRN O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1OC(F)F ZINC000553270210 941858885 /nfs/dbraw/zinc/85/88/85/941858885.db2.gz DLOIQJRLBOCLEF-ZUOKHONESA-N 0 0 420.416 4.090 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000553296807 941863174 /nfs/dbraw/zinc/86/31/74/941863174.db2.gz RAGOAXMGNSOLMC-NLWGTHIKSA-N 0 0 402.454 4.189 20 5 HIBDRN C[C@H](NC(=O)N1CCc2cc(Br)cc(F)c21)c1ccccc1[N+](=O)[O-] ZINC000553335662 941869342 /nfs/dbraw/zinc/86/93/42/941869342.db2.gz MVSLLMWWBKTERX-JTQLQIEISA-N 0 0 408.227 4.330 20 5 HIBDRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)s1 ZINC000553366744 941873394 /nfs/dbraw/zinc/87/33/94/941873394.db2.gz FWWMNOIONKQSFC-RKDXNWHRSA-N 0 0 417.413 4.103 20 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C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1c(F)cncc1F ZINC000553424728 941882688 /nfs/dbraw/zinc/88/26/88/941882688.db2.gz PPGOGTSOKSVWQE-ZDUSSCGKSA-N 0 0 412.396 4.371 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nc2c(cccc2Cl)[nH]1 ZINC000553432522 941883633 /nfs/dbraw/zinc/88/36/33/941883633.db2.gz JBRTVCFVKRGWAG-UHFFFAOYSA-N 0 0 409.627 4.068 20 5 HIBDRN CS(=O)(=O)c1cccc(Br)c1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000553497120 941896318 /nfs/dbraw/zinc/89/63/18/941896318.db2.gz CIPJGPOSRAWCIX-UHFFFAOYSA-N 0 0 419.684 4.026 20 5 HIBDRN NC(=O)c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000553498875 941896707 /nfs/dbraw/zinc/89/67/07/941896707.db2.gz XJFAMCLXPIKZBF-UHFFFAOYSA-N 0 0 419.153 4.054 20 5 HIBDRN CC(=O)c1cc(N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000553503832 941897974 /nfs/dbraw/zinc/89/79/74/941897974.db2.gz GPVSNNFNUNZHGI-HNNXBMFYSA-N 0 0 421.375 4.029 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCC1(C(F)(F)F)CC1 ZINC000553616212 941921902 /nfs/dbraw/zinc/92/19/02/941921902.db2.gz ZUNOVTFCNGBAOU-UHFFFAOYSA-N 0 0 415.393 4.150 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000553700117 941946722 /nfs/dbraw/zinc/94/67/22/941946722.db2.gz XSFRKOYELLRZGX-CQSZACIVSA-N 0 0 409.408 4.429 20 5 HIBDRN CC[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(OC)c1 ZINC000553719734 941951631 /nfs/dbraw/zinc/95/16/31/941951631.db2.gz LKPRJIYYXWQRJH-INIZCTEOSA-N 0 0 407.854 4.216 20 5 HIBDRN COc1cc(C(=O)Nc2nc3c(cccc3Br)s2)ccc1[N+](=O)[O-] ZINC000553740173 941957041 /nfs/dbraw/zinc/95/70/41/941957041.db2.gz ILBHGDOKYDVECG-UHFFFAOYSA-N 0 0 408.233 4.228 20 5 HIBDRN Cc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000553814247 941974577 /nfs/dbraw/zinc/97/45/77/941974577.db2.gz UPFNQUNOXFZAFH-KRWDZBQOSA-N 0 0 414.458 4.177 20 5 HIBDRN C[C@H]1CO[C@H](c2ccccc2Cl)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000554075098 942030766 /nfs/dbraw/zinc/03/07/66/942030766.db2.gz QEAZJVTWWWAFPU-UGSOOPFHSA-N 0 0 414.849 4.260 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1c(Cl)cccc1Cl ZINC000554180898 942059489 /nfs/dbraw/zinc/05/94/89/942059489.db2.gz BESAASUQSDJIEX-UHFFFAOYSA-N 0 0 412.273 4.371 20 5 HIBDRN O=C(CN1CCCC[C@@H]1c1nnc(C2CCC2)o1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000554275762 942086856 /nfs/dbraw/zinc/08/68/56/942086856.db2.gz GPVQXGPWEOXGSH-OAHLLOKOSA-N 0 0 419.869 4.064 20 5 HIBDRN COc1ccc(-c2ccc(CNc3nnc(Cc4ccc(F)cc4)o3)o2)c([N+](=O)[O-])c1 ZINC000554328037 942105478 /nfs/dbraw/zinc/10/54/78/942105478.db2.gz OTXOPNQSPVFWNH-UHFFFAOYSA-N 0 0 424.388 4.588 20 5 HIBDRN CCc1ccc([C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)C2)cc1 ZINC000554409593 942130871 /nfs/dbraw/zinc/13/08/71/942130871.db2.gz OHMRWCFZZHZEQV-SFHVURJKSA-N 0 0 405.454 4.100 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@](F)(c4cccc(Cl)c4)C3)n2)c1 ZINC000554855993 942292810 /nfs/dbraw/zinc/29/28/10/942292810.db2.gz XOTIPQFIKGGUAD-LJQANCHMSA-N 0 0 402.813 4.369 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)c1 ZINC000554885735 942308053 /nfs/dbraw/zinc/30/80/53/942308053.db2.gz BKUMIFUDUXEDJU-UHFFFAOYSA-N 0 0 423.425 4.228 20 5 HIBDRN CS(=O)(=O)c1cccc(Oc2cc(F)c(Br)cc2Cl)c1[N+](=O)[O-] ZINC000554932876 942324493 /nfs/dbraw/zinc/32/44/93/942324493.db2.gz OFTGIYZPMQZNKQ-UHFFFAOYSA-N 0 0 424.631 4.346 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cn(-c3ccccc3)nc2C(C)C)c1 ZINC000554959032 942334111 /nfs/dbraw/zinc/33/41/11/942334111.db2.gz KLIDTYNZARSUJZ-UHFFFAOYSA-N 0 0 408.458 4.233 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000555008600 942353680 /nfs/dbraw/zinc/35/36/80/942353680.db2.gz CLXLNXAFOJBQGY-MRXNPFEDSA-N 0 0 412.490 4.077 20 5 HIBDRN CC(C)OCc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1O ZINC000555117185 942389540 /nfs/dbraw/zinc/38/95/40/942389540.db2.gz TVVDOVJCTPDQAF-UHFFFAOYSA-N 0 0 413.474 4.081 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N1CCCCO1 ZINC000555124579 942392160 /nfs/dbraw/zinc/39/21/60/942392160.db2.gz VEHAJGHQFSNHHN-UHFFFAOYSA-N 0 0 409.801 4.417 20 5 HIBDRN NS(=O)(=O)c1ccc(N[C@H](c2c(Cl)cccc2Cl)C2CC2)c([N+](=O)[O-])c1 ZINC000555139542 942400175 /nfs/dbraw/zinc/40/01/75/942400175.db2.gz HRGDWWVKKOUJMP-INIZCTEOSA-N 0 0 416.286 4.112 20 5 HIBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000555164888 942412376 /nfs/dbraw/zinc/41/23/76/942412376.db2.gz XWORJLHZBZHRMQ-INIZCTEOSA-N 0 0 410.396 4.399 20 5 HIBDRN C[C@H](C(=O)N1CCOc2ccc(Br)cc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000555203097 942430988 /nfs/dbraw/zinc/43/09/88/942430988.db2.gz ZNKFGEOAGUKIEJ-NSHDSACASA-N 0 0 423.238 4.021 20 5 HIBDRN COc1cc(N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c(F)cc1[N+](=O)[O-] ZINC000555206952 942431522 /nfs/dbraw/zinc/43/15/22/942431522.db2.gz DOLYPEGPLDVQFX-BLLLJJGKSA-N 0 0 405.401 4.046 20 5 HIBDRN COc1cc(N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c(F)cc1[N+](=O)[O-] ZINC000555206953 942431894 /nfs/dbraw/zinc/43/18/94/942431894.db2.gz 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Cc1ccccc1[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)CCO1 ZINC000555349824 942488924 /nfs/dbraw/zinc/48/89/24/942488924.db2.gz HZBPQYSCOQWZOF-NRFANRHFSA-N 0 0 421.501 4.396 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3C)CC2)c(C)c1 ZINC000555382526 942505076 /nfs/dbraw/zinc/50/50/76/942505076.db2.gz CWMPGTGCNWOOCH-UHFFFAOYSA-N 0 0 409.486 4.325 20 5 HIBDRN Cc1c(NCC2CCN(C(=O)C(C)(C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000555407458 942519022 /nfs/dbraw/zinc/51/90/22/942519022.db2.gz DYQUAENIGQMXIZ-UHFFFAOYSA-N 0 0 412.328 4.362 20 5 HIBDRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000555528164 942628102 /nfs/dbraw/zinc/62/81/02/942628102.db2.gz MPVHPHUZVFDQLD-CQSZACIVSA-N 0 0 424.482 4.142 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OC[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000555564369 942644423 /nfs/dbraw/zinc/64/44/23/942644423.db2.gz HECQBXPPNASDPA-URXFXBBRSA-N 0 0 423.465 4.458 20 5 HIBDRN O=[N+]([O-])c1cccc(Br)c1OC[C@H](O)Cc1ccccc1C(F)(F)F ZINC000555565386 942645256 /nfs/dbraw/zinc/64/52/56/942645256.db2.gz YQZKGYDTSYPVLT-LLVKDONJSA-N 0 0 420.181 4.359 20 5 HIBDRN O=[N+]([O-])c1cc(CNCc2ncn(-c3ccccc3)n2)ccc1Oc1ccc(F)cc1 ZINC000555644721 942685602 /nfs/dbraw/zinc/68/56/02/942685602.db2.gz MALJFSAGOKRIGX-UHFFFAOYSA-N 0 0 419.416 4.397 20 5 HIBDRN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N2CCCC2)o1 ZINC000555708530 942707177 /nfs/dbraw/zinc/70/71/77/942707177.db2.gz PXULROASCAXOIE-MRXNPFEDSA-N 0 0 411.380 4.082 20 5 HIBDRN C[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555714873 942710541 /nfs/dbraw/zinc/71/05/41/942710541.db2.gz ATBVEHMSBPTLKO-AWEZNQCLSA-N 0 0 407.392 4.066 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(F)c1Br ZINC000555793214 942734962 /nfs/dbraw/zinc/73/49/62/942734962.db2.gz RULCKCSCLRZGJL-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1cccn1C ZINC000555856637 942755970 /nfs/dbraw/zinc/75/59/70/942755970.db2.gz QNOJKCWZXDEPBW-QGZVFWFLSA-N 0 0 406.280 4.372 20 5 HIBDRN CNc1ccc(-c2nc(CC(=O)Nc3cccc4ccccc43)no2)cc1[N+](=O)[O-] ZINC000555999793 942784316 /nfs/dbraw/zinc/78/43/16/942784316.db2.gz IZUHHFGGIRIFQR-UHFFFAOYSA-N 0 0 403.398 4.021 20 5 HIBDRN C[C@H](SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCCc1cccs1 ZINC000556280303 942832516 /nfs/dbraw/zinc/83/25/16/942832516.db2.gz XUWDJLCEFZOIGM-ZDUSSCGKSA-N 0 0 417.512 4.292 20 5 HIBDRN CCO[C@H](C)c1nc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cs1 ZINC000556370680 942850586 /nfs/dbraw/zinc/85/05/86/942850586.db2.gz OZAUUJSLAHPBTN-SNVBAGLBSA-N 0 0 417.409 4.440 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(CC(F)(F)F)CC1 ZINC000556480405 942880984 /nfs/dbraw/zinc/88/09/84/942880984.db2.gz ANEGAPFVZYDCIY-UHFFFAOYSA-N 0 0 409.202 4.470 20 5 HIBDRN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000556486638 942883133 /nfs/dbraw/zinc/88/31/33/942883133.db2.gz FMGUSYSBJCRNKU-UHFFFAOYSA-N 0 0 404.488 4.327 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000556522905 942891439 /nfs/dbraw/zinc/89/14/39/942891439.db2.gz PPVINWTTYMYVGO-UHFFFAOYSA-N 0 0 421.453 4.407 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)Cc1coc2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000556786624 942932940 /nfs/dbraw/zinc/93/29/40/942932940.db2.gz KHVZCJNSJNZHBR-GOSISDBHSA-N 0 0 410.426 4.083 20 5 HIBDRN C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000556872508 942945838 /nfs/dbraw/zinc/94/58/38/942945838.db2.gz PAVXNPVJGVIXMF-LIRRHRJNSA-N 0 0 400.866 4.128 20 5 HIBDRN O=C(CSc1ncccc1[N+](=O)[O-])NCCC(c1ccccc1)c1ccccc1 ZINC000556903889 942960226 /nfs/dbraw/zinc/96/02/26/942960226.db2.gz FPORKUVFKRUYDM-UHFFFAOYSA-N 0 0 407.495 4.420 20 5 HIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000557025728 942998413 /nfs/dbraw/zinc/99/84/13/942998413.db2.gz MOYQMDXTQRJGML-UHFFFAOYSA-N 0 0 401.728 4.478 20 5 HIBDRN O=C(Nc1nncn1C1CC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000557109799 943021664 /nfs/dbraw/zinc/02/16/64/943021664.db2.gz IMUWCJHJSMBHDH-UHFFFAOYSA-N 0 0 412.837 4.039 20 5 HIBDRN C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557362406 943087844 /nfs/dbraw/zinc/08/78/44/943087844.db2.gz FXEHPNLUKBFNEX-KRWDZBQOSA-N 0 0 419.481 4.454 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cn(-c2ccccc2)nc1C(C)(C)C ZINC000557362842 943087952 /nfs/dbraw/zinc/08/79/52/943087952.db2.gz GOJMVFNRPODLCA-UHFFFAOYSA-N 0 0 406.486 4.393 20 5 HIBDRN CC(=O)c1cc(NCc2ccc(OCCOc3ccccc3)nc2)ccc1[N+](=O)[O-] ZINC000557495163 943168563 /nfs/dbraw/zinc/16/85/63/943168563.db2.gz SYNAUJXNPSYYFY-UHFFFAOYSA-N 0 0 407.426 4.262 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000557560648 943208575 /nfs/dbraw/zinc/20/85/75/943208575.db2.gz WOITUIRJPUYCAC-OAHLLOKOSA-N 0 0 417.506 4.491 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000557569037 943213404 /nfs/dbraw/zinc/21/34/04/943213404.db2.gz 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ZINC000560719165 944308505 /nfs/dbraw/zinc/30/85/05/944308505.db2.gz QSBNETNDDZMLCR-UHFFFAOYSA-N 0 0 409.467 4.221 20 5 HIBDRN COc1ccc(CC(=O)Nc2cc(F)c(Br)c(Cl)c2)cc1[N+](=O)[O-] ZINC000560789604 944331600 /nfs/dbraw/zinc/33/16/00/944331600.db2.gz CNQJSZLBGXEGMG-UHFFFAOYSA-N 0 0 417.618 4.340 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC=C(c2ccncc2)C1 ZINC000560789814 944332768 /nfs/dbraw/zinc/33/27/68/944332768.db2.gz RZSCMTMFJKRFLU-UHFFFAOYSA-N 0 0 423.416 4.417 20 5 HIBDRN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000560792792 944333525 /nfs/dbraw/zinc/33/35/25/944333525.db2.gz DXNLVEOXMSMAPD-NPFVIJTESA-N 0 0 407.470 4.086 20 5 HIBDRN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000560801350 944336604 /nfs/dbraw/zinc/33/66/04/944336604.db2.gz RYEQASQPGBPKAH-UHFFFAOYSA-N 0 0 409.446 4.009 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)c(C)cc2OC)c1 ZINC000560983794 944385867 /nfs/dbraw/zinc/38/58/67/944385867.db2.gz DFJNSKDLEPZRNH-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CC(C)(C)[C@@H]3c3cccnc3)cc2[N+](=O)[O-])C1 ZINC000561010914 944395600 /nfs/dbraw/zinc/39/56/00/944395600.db2.gz LRIPPIYYFBJQHU-IERDGZPVSA-N 0 0 408.502 4.449 20 5 HIBDRN COc1c(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000561068151 944426487 /nfs/dbraw/zinc/42/64/87/944426487.db2.gz PRFAMOGRJLUZDO-SJCJKPOMSA-N 0 0 424.375 4.224 20 5 HIBDRN O=C(NCc1ccccc1)c1cccc(Oc2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC000561098290 944449602 /nfs/dbraw/zinc/44/96/02/944449602.db2.gz ZODTYNPKDOHOEV-UHFFFAOYSA-N 0 0 406.423 4.322 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000561135244 944475168 /nfs/dbraw/zinc/47/51/68/944475168.db2.gz CPSDQMLFDMLFJZ-AQNXPRMDSA-N 0 0 402.454 4.189 20 5 HIBDRN CC(=O)c1cc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000561142506 944478014 /nfs/dbraw/zinc/47/80/14/944478014.db2.gz WDTWNXNOABTIFU-UHFFFAOYSA-N 0 0 422.268 4.067 20 5 HIBDRN O=C(c1cccc(F)c1)N1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000561142947 944478477 /nfs/dbraw/zinc/47/84/77/944478477.db2.gz VYXRGJQTTPRGFE-UHFFFAOYSA-N 0 0 412.248 4.393 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)s1 ZINC000561147591 944482281 /nfs/dbraw/zinc/48/22/81/944482281.db2.gz UMBOMZLLWLQFBG-UHFFFAOYSA-N 0 0 420.376 4.416 20 5 HIBDRN COCCc1ccnc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000561168429 944494260 /nfs/dbraw/zinc/49/42/60/944494260.db2.gz SUKDSWIUAWLVFH-UHFFFAOYSA-N 0 0 407.426 4.010 20 5 HIBDRN O=c1[nH]c(N(Cc2cccc(-c3cccnc3)c2)C2CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000561261494 944531236 /nfs/dbraw/zinc/53/12/36/944531236.db2.gz WMEOSDZTQLVTOE-UHFFFAOYSA-N 0 0 413.437 4.475 20 5 HIBDRN CCn1c(Sc2ncnc3sc([N+](=O)[O-])cc32)nnc1-c1ccc(F)cc1 ZINC000561259070 944531731 /nfs/dbraw/zinc/53/17/31/944531731.db2.gz KAEXTRKHFXGIPA-UHFFFAOYSA-N 0 0 402.436 4.168 20 5 HIBDRN C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000561275674 944536640 /nfs/dbraw/zinc/53/66/40/944536640.db2.gz PJOQRZKZKVYESO-FZKQIMNGSA-N 0 0 414.487 4.337 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)c1[N+](=O)[O-] ZINC000561334868 944555363 /nfs/dbraw/zinc/55/53/63/944555363.db2.gz HBIJEUSSDHHVNB-HNNXBMFYSA-N 0 0 409.446 4.060 20 5 HIBDRN Cc1cc(N(CCn2ccnc2)Cc2ccc(Br)o2)ccc1[N+](=O)[O-] ZINC000561337113 944556241 /nfs/dbraw/zinc/55/62/41/944556241.db2.gz BJZIBPTWPCMPGM-UHFFFAOYSA-N 0 0 405.252 4.162 20 5 HIBDRN CN(Cc1ccc(OCC(F)(F)F)cc1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000561339680 944556298 /nfs/dbraw/zinc/55/62/98/944556298.db2.gz CHECOVGPKLVFTF-UHFFFAOYSA-N 0 0 423.391 4.065 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000561350177 944559560 /nfs/dbraw/zinc/55/95/60/944559560.db2.gz IMCHFNHIZORTFR-AWEZNQCLSA-N 0 0 409.408 4.424 20 5 HIBDRN O=C(CCCc1ccccc1)N[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000561359634 944561450 /nfs/dbraw/zinc/56/14/50/944561450.db2.gz AYFSPPDROBGIJX-IBGZPJMESA-N 0 0 418.497 4.251 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c(F)c1 ZINC000561378976 944567753 /nfs/dbraw/zinc/56/77/53/944567753.db2.gz AQISGMPLHJMPGF-KRWDZBQOSA-N 0 0 400.328 4.206 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000561431066 944594769 /nfs/dbraw/zinc/59/47/69/944594769.db2.gz JUIMPCSQBLSIGU-SNVBAGLBSA-N 0 0 422.450 4.146 20 5 HIBDRN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000561447215 944606824 /nfs/dbraw/zinc/60/68/24/944606824.db2.gz UXIIBRRXMWXOCU-CPUXHMLJSA-N 0 0 400.450 4.305 20 5 HIBDRN Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000561452280 944609995 /nfs/dbraw/zinc/60/99/95/944609995.db2.gz RABNXBGQVFJRJX-IBGZPJMESA-N 0 0 421.457 4.266 20 5 HIBDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000561553268 944670857 /nfs/dbraw/zinc/67/08/57/944670857.db2.gz OTPIXMCHXBGUNJ-AWEZNQCLSA-N 0 0 409.408 4.429 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2c(F)cccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000561588461 944692265 /nfs/dbraw/zinc/69/22/65/944692265.db2.gz KGCZSKXPKDYRBP-HNNXBMFYSA-N 0 0 400.454 4.203 20 5 HIBDRN CC(=O)N(c1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)[C@@H]1C[C@@H]1C ZINC000561647567 944726057 /nfs/dbraw/zinc/72/60/57/944726057.db2.gz CRERIJFXVPCLGG-YEJXKQKISA-N 0 0 406.442 4.019 20 5 HIBDRN COc1cc2c(cc1Cl)CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 ZINC000561678039 944742790 /nfs/dbraw/zinc/74/27/90/944742790.db2.gz GSACMRVNMJSXHS-UHFFFAOYSA-N 0 0 414.767 4.474 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)c([N+](=O)[O-])c1 ZINC000561680702 944744650 /nfs/dbraw/zinc/74/46/50/944744650.db2.gz VRYALNFHICPJRQ-CABCVRRESA-N 0 0 422.359 4.451 20 5 HIBDRN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000561688296 944748253 /nfs/dbraw/zinc/74/82/53/944748253.db2.gz INCMLGRPKGNZLR-CQSZACIVSA-N 0 0 413.455 4.359 20 5 HIBDRN CC1(C)CC[C@@H]1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000561705048 944755209 /nfs/dbraw/zinc/75/52/09/944755209.db2.gz KTXIZNGBBXJEQM-FQEVSTJZSA-N 0 0 404.470 4.295 20 5 HIBDRN CCc1cc(C2CC2)nc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000561793530 944797645 /nfs/dbraw/zinc/79/76/45/944797645.db2.gz INVIXCFQGCVOON-AWEZNQCLSA-N 0 0 409.490 4.313 20 5 HIBDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561811034 944807200 /nfs/dbraw/zinc/80/72/00/944807200.db2.gz ODHFZSDECSCMIB-UHFFFAOYSA-N 0 0 422.445 4.478 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1cccc(OCc2ccccc2)c1 ZINC000561844330 944818979 /nfs/dbraw/zinc/81/89/79/944818979.db2.gz NDGYGZVJCUIEAP-UHFFFAOYSA-N 0 0 412.392 4.311 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(CC(C)(C)CC(=O)c3ccccc3)n2)c1 ZINC000561919755 944856302 /nfs/dbraw/zinc/85/63/02/944856302.db2.gz PPNIHTIBBDJXEV-UHFFFAOYSA-N 0 0 409.442 4.419 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@H](CCc2ccccc2)C1 ZINC000561969399 944881067 /nfs/dbraw/zinc/88/10/67/944881067.db2.gz WDNDVIFKRJUUHX-OXJNMPFZSA-N 0 0 408.458 4.039 20 5 HIBDRN O=C(NC[C@H](c1ccccc1)C1CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000562095332 944935743 /nfs/dbraw/zinc/93/57/43/944935743.db2.gz UTMAPFIHCQPKFV-QGZVFWFLSA-N 0 0 408.376 4.460 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000562122204 944954697 /nfs/dbraw/zinc/95/46/97/944954697.db2.gz QMBAVFGNQGQEOQ-GFCCVEGCSA-N 0 0 423.391 4.334 20 5 HIBDRN C[C@@H](c1nc(Cc2nc(=O)c3c(C4CC4)csc3[nH]2)no1)c1cccc([N+](=O)[O-])c1 ZINC000564227135 945441306 /nfs/dbraw/zinc/44/13/06/945441306.db2.gz FKUYKCORFNAXBX-SNVBAGLBSA-N 0 0 423.454 4.308 20 5 HIBDRN COc1cc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc(Br)c1OC ZINC000564231755 945447369 /nfs/dbraw/zinc/44/73/69/945447369.db2.gz OUEJYXNINGBGLA-UHFFFAOYSA-N 0 0 409.236 4.244 20 5 HIBDRN Cc1c(C(=O)N[C@@H](C)c2ccc(F)c3ccccc32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000564244157 945460509 /nfs/dbraw/zinc/46/05/09/945460509.db2.gz MWFAYOUBJISEEC-ZDUSSCGKSA-N 0 0 419.416 4.267 20 5 HIBDRN CC[C@H](c1noc(-c2nn(CC)cc2[N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000564264173 945480803 /nfs/dbraw/zinc/48/08/03/945480803.db2.gz KEYVEKIHCLNFAI-LBPRGKRZSA-N 0 0 406.240 4.166 20 5 HIBDRN O=C(NC1(c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)CCCC1)c1ccccc1 ZINC000564285581 945498291 /nfs/dbraw/zinc/49/82/91/945498291.db2.gz ADLMKARGSJOZFL-OUKQBFOZSA-N 0 0 404.426 4.348 20 5 HIBDRN Cc1ccccc1[C@H](c1noc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000564290329 945501036 /nfs/dbraw/zinc/50/10/36/945501036.db2.gz NVWZUCNESHFKTB-HXUWFJFHSA-N 0 0 408.458 4.047 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H](c4ccncc4)C3)cc2[N+](=O)[O-])C1 ZINC000564321561 945515026 /nfs/dbraw/zinc/51/50/26/945515026.db2.gz XYBQMQGHINBMMP-HLIPFELVSA-N 0 0 408.502 4.102 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1CCc2c1cccc2Br)c1ccccc1[N+](=O)[O-] ZINC000564349659 945521324 /nfs/dbraw/zinc/52/13/24/945521324.db2.gz RMRBZVJOCUUWJB-MRXNPFEDSA-N 0 0 403.276 4.439 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)c1 ZINC000564353807 945522760 /nfs/dbraw/zinc/52/27/60/945522760.db2.gz BAJWAYCQKSCPNW-QGZVFWFLSA-N 0 0 415.298 4.472 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000564447268 945595878 /nfs/dbraw/zinc/59/58/78/945595878.db2.gz SEJPARZMFQKPOS-GOSISDBHSA-N 0 0 406.446 4.311 20 5 HIBDRN CCOC(=O)c1ccnc(N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c1[N+](=O)[O-] ZINC000564604942 945701770 /nfs/dbraw/zinc/70/17/70/945701770.db2.gz GOMRPLACYXOVLV-UHFFFAOYSA-N 0 0 412.421 4.171 20 5 HIBDRN CC[C@H](c1cccc(OC)c1)N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564621385 945713220 /nfs/dbraw/zinc/71/32/20/945713220.db2.gz WJUIJXDKVJBZEW-OAQYLSRUSA-N 0 0 410.474 4.420 20 5 HIBDRN O=C(Nc1ccc(Oc2cccnc2)nc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000565135277 945783470 /nfs/dbraw/zinc/78/34/70/945783470.db2.gz SIPNNNDDDNWGQK-UHFFFAOYSA-N 0 0 415.203 4.192 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC000565266435 945797297 /nfs/dbraw/zinc/79/72/97/945797297.db2.gz CFPJLJGWJIMSFK-UHFFFAOYSA-N 0 0 412.348 4.365 20 5 HIBDRN CCOCc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1Cc1ccccc1 ZINC000565278348 945802722 /nfs/dbraw/zinc/80/27/22/945802722.db2.gz FTGWQXJLOWNXIS-UHFFFAOYSA-N 0 0 409.490 4.186 20 5 HIBDRN CC(=O)c1cccc(OC[C@H](O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000565292924 945804660 /nfs/dbraw/zinc/80/46/60/945804660.db2.gz PSMBQYLYOJSHTM-FQEVSTJZSA-N 0 0 407.422 4.283 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000565296585 945805225 /nfs/dbraw/zinc/80/52/25/945805225.db2.gz ZLKWRNNBTAGCNL-UHFFFAOYSA-N 0 0 417.393 4.113 20 5 HIBDRN Cc1c(Br)ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1F ZINC000565442584 945830585 /nfs/dbraw/zinc/83/05/85/945830585.db2.gz AZXYYEOTQDWNEE-UHFFFAOYSA-N 0 0 420.238 4.259 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2nnc(C3CCCC3)n2C[C@H]2CCOC2)C2CC2)cc1 ZINC000565454365 945834409 /nfs/dbraw/zinc/83/44/09/945834409.db2.gz APPIOUHOYFGEHH-QGZVFWFLSA-N 0 0 411.506 4.049 20 5 HIBDRN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 ZINC000565452134 945834454 /nfs/dbraw/zinc/83/44/54/945834454.db2.gz WRUNIQLJANHZET-APPDUMDISA-N 0 0 412.364 4.128 20 5 HIBDRN C[C@@H](c1nc(-c2cccc(C(=O)NCc3ccco3)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000565506122 945841309 /nfs/dbraw/zinc/84/13/09/945841309.db2.gz WUUUXTABLKFOFH-CQSZACIVSA-N 0 0 418.409 4.320 20 5 HIBDRN CC(C)(c1nc(-c2ccnc(OCC(F)F)c2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000565506787 945841512 /nfs/dbraw/zinc/84/15/12/945841512.db2.gz PUHMHIMEUCBIIC-UHFFFAOYSA-N 0 0 408.336 4.149 20 5 HIBDRN Cc1cccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)n1 ZINC000565571470 945851999 /nfs/dbraw/zinc/85/19/99/945851999.db2.gz VPYYZMGABLJOLM-UHFFFAOYSA-N 0 0 414.469 4.241 20 5 HIBDRN 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CSc1c(F)cccc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000436086615 861366671 /nfs/dbraw/zinc/36/66/71/861366671.db2.gz IGUTZVJVCAZMAK-MRXNPFEDSA-N 0 0 420.462 4.269 20 5 HIBDRN O=[N+]([O-])c1cc(C[S@](=O)Cc2nc(C3CCCCC3)cs2)c2c(c1)COCO2 ZINC000436088514 861368198 /nfs/dbraw/zinc/36/81/98/861368198.db2.gz LPCRONKDRBGADC-NDEPHWFRSA-N 0 0 422.528 4.414 20 5 HIBDRN CN(C)C(=O)c1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)ccc1Cl ZINC000436103370 861387439 /nfs/dbraw/zinc/38/74/39/861387439.db2.gz OOERAQOSEWFLJA-UHFFFAOYSA-N 0 0 419.868 4.289 20 5 HIBDRN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N(C)c1ccccc1 ZINC000436103798 861388405 /nfs/dbraw/zinc/38/84/05/861388405.db2.gz ADYIWEUDCOCRBD-CQSZACIVSA-N 0 0 421.447 4.214 20 5 HIBDRN O=C(NCc1ccc(F)c(F)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436105941 861390516 /nfs/dbraw/zinc/39/05/16/861390516.db2.gz WKMPUMKDSLIODG-UHFFFAOYSA-N 0 0 400.331 4.168 20 5 HIBDRN COc1cccc([C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000436109828 861395081 /nfs/dbraw/zinc/39/50/81/861395081.db2.gz LPGYLDYGJRKGNZ-LBPRGKRZSA-N 0 0 408.404 4.459 20 5 HIBDRN C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2ccccc21 ZINC000436109535 861395962 /nfs/dbraw/zinc/39/59/62/861395962.db2.gz ZWVJTIAGLXNJGY-HNNXBMFYSA-N 0 0 415.468 4.001 20 5 HIBDRN C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N(C)c1ccccc1 ZINC000436117984 861403312 /nfs/dbraw/zinc/40/33/12/861403312.db2.gz KMWJZKLMPQEDCI-OAHLLOKOSA-N 0 0 403.457 4.075 20 5 HIBDRN Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436137730 861431471 /nfs/dbraw/zinc/43/14/71/861431471.db2.gz JWUPDNFJTXXRBT-QGZVFWFLSA-N 0 0 400.478 4.495 20 5 HIBDRN Cc1cccc(OC[C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000436146708 861444807 /nfs/dbraw/zinc/44/48/07/861444807.db2.gz YVNSWQQFSXGNKP-CQSZACIVSA-N 0 0 422.431 4.465 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)cc([N+](=O)[O-])c1OC ZINC000436158002 861458009 /nfs/dbraw/zinc/45/80/09/861458009.db2.gz 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HIBDRN CCn1c2ccccc2c2cc(NC(=O)Cn3cc([N+](=O)[O-])c(C4CC4)n3)ccc21 ZINC000436204782 861505091 /nfs/dbraw/zinc/50/50/91/861505091.db2.gz SALNMZVUUFCHDT-UHFFFAOYSA-N 0 0 403.442 4.435 20 5 HIBDRN COc1ccc(/C=C/C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC ZINC000001918456 845005238 /nfs/dbraw/zinc/00/52/38/845005238.db2.gz SFOBCEQPLFUOJF-VQHVLOKHSA-N 0 0 411.439 4.387 20 5 HIBDRN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000003169606 845009897 /nfs/dbraw/zinc/00/98/97/845009897.db2.gz XXTWNUVYWFIQLC-GZTJUZNOSA-N 0 0 405.322 4.108 20 5 HIBDRN C[C@@H](OC(=O)c1cccc(OC(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003394363 845016203 /nfs/dbraw/zinc/01/62/03/845016203.db2.gz RNDTXQAOSDHHTB-SECBINFHSA-N 0 0 414.748 4.034 20 5 HIBDRN Cc1cc2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2c2ccccc12 ZINC000003495850 845029445 /nfs/dbraw/zinc/02/94/45/845029445.db2.gz AGDPUFPLVLUBQQ-ZDUSSCGKSA-N 0 0 407.455 4.218 20 5 HIBDRN 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COc1ccc2cc(/C=C/C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2c1 ZINC000018019333 846285835 /nfs/dbraw/zinc/28/58/35/846285835.db2.gz VQDJAWGHCGAXMP-XKOZXHHJSA-N 0 0 420.421 4.340 20 5 HIBDRN COc1ccc(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000018091731 846294212 /nfs/dbraw/zinc/29/42/12/846294212.db2.gz IOLSHSNFTZPWMY-UHFFFAOYSA-N 0 0 408.458 4.398 20 5 HIBDRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000018110551 846297657 /nfs/dbraw/zinc/29/76/57/846297657.db2.gz WIFNVXNOXZYUJO-UHFFFAOYSA-N 0 0 404.451 4.439 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000018135629 846301247 /nfs/dbraw/zinc/30/12/47/846301247.db2.gz FIKIKNMKIQEADS-GOSISDBHSA-N 0 0 411.487 4.002 20 5 HIBDRN COc1cc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000018160799 846304433 /nfs/dbraw/zinc/30/44/33/846304433.db2.gz WUOSJVRYHKHBSV-UHFFFAOYSA-N 0 0 406.438 4.421 20 5 HIBDRN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000018215825 846311419 /nfs/dbraw/zinc/31/14/19/846311419.db2.gz KMZQCDFAYKUTSI-UHFFFAOYSA-N 0 0 423.178 4.157 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc([N+](=O)[O-])c1 ZINC000018238731 846315969 /nfs/dbraw/zinc/31/59/69/846315969.db2.gz HJGHKZQWAROPGL-UHFFFAOYSA-N 0 0 422.393 4.435 20 5 HIBDRN COc1ccc(-c2nnc(COC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)o2)cc1 ZINC000018337558 846321101 /nfs/dbraw/zinc/32/11/01/846321101.db2.gz LDOZSMXZLQLCMA-UHFFFAOYSA-N 0 0 411.414 4.308 20 5 HIBDRN CCOc1cc(C(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000018344524 846321600 /nfs/dbraw/zinc/32/16/00/846321600.db2.gz OZWZOHXBWJGXMH-NSHDSACASA-N 0 0 407.806 4.084 20 5 HIBDRN Cc1cccc(C(=O)OCC(=O)Nc2ccc(N3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000018423296 846325603 /nfs/dbraw/zinc/32/56/03/846325603.db2.gz BNBNNCHVSRWNRR-UHFFFAOYSA-N 0 0 411.458 4.079 20 5 HIBDRN CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] ZINC000018584129 846333374 /nfs/dbraw/zinc/33/33/74/846333374.db2.gz AQJGCZJLUHFWFV-LBPRGKRZSA-N 0 0 406.822 4.139 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc2cc(Cl)ccc2o1 ZINC000018750833 846339535 /nfs/dbraw/zinc/33/95/35/846339535.db2.gz GVDMBVPHNKSDLI-SNVBAGLBSA-N 0 0 418.789 4.187 20 5 HIBDRN O=C(COC(=O)c1cc2cc(Cl)ccc2o1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000018750808 846339640 /nfs/dbraw/zinc/33/96/40/846339640.db2.gz NQMBURUAVWALTL-UHFFFAOYSA-N 0 0 409.181 4.443 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1ccccc1F ZINC000018826140 846343601 /nfs/dbraw/zinc/34/36/01/846343601.db2.gz KKUGGUUWGWIKFH-UHFFFAOYSA-N 0 0 402.369 4.204 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000019284544 846361035 /nfs/dbraw/zinc/36/10/35/846361035.db2.gz LKKYOJRSVFUCPZ-UHFFFAOYSA-N 0 0 422.393 4.191 20 5 HIBDRN C[C@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000019264184 846361151 /nfs/dbraw/zinc/36/11/51/846361151.db2.gz UGPWUUBNSMLERT-VIFPVBQESA-N 0 0 421.431 4.103 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)cc1OC ZINC000019357893 846364479 /nfs/dbraw/zinc/36/44/79/846364479.db2.gz TUUGSYXRHSXECX-JTQLQIEISA-N 0 0 419.415 4.032 20 5 HIBDRN C[C@@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000019617234 846368724 /nfs/dbraw/zinc/36/87/24/846368724.db2.gz JSOFBPHHVPGMDV-LLVKDONJSA-N 0 0 415.402 4.041 20 5 HIBDRN COc1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-] ZINC000020001052 846374021 /nfs/dbraw/zinc/37/40/21/846374021.db2.gz RAHCTUOYVPPNMI-UHFFFAOYSA-N 0 0 424.525 4.118 20 5 HIBDRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000020404503 846383992 /nfs/dbraw/zinc/38/39/92/846383992.db2.gz KTWUMYGEYZHENU-MRXNPFEDSA-N 0 0 408.241 4.145 20 5 HIBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000020787658 846388344 /nfs/dbraw/zinc/38/83/44/846388344.db2.gz XHMKZUYKEJSMCO-UHFFFAOYSA-N 0 0 409.634 4.412 20 5 HIBDRN C[C@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000021231755 846420104 /nfs/dbraw/zinc/42/01/04/846420104.db2.gz INHVJOHHXVNGJS-AWEZNQCLSA-N 0 0 416.389 4.313 20 5 HIBDRN C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021682328 846482729 /nfs/dbraw/zinc/48/27/29/846482729.db2.gz VHJSYMCTHGECSN-VIFPVBQESA-N 0 0 417.447 4.111 20 5 HIBDRN Cn1c2ccccc2n(CCC(=O)OCc2nc3ccccc3c3ccccc23)c1=O ZINC000021734366 846488692 /nfs/dbraw/zinc/48/86/92/846488692.db2.gz FGFHHRDDSDDEMN-UHFFFAOYSA-N 0 0 411.461 4.175 20 5 HIBDRN CC[C@H](NC(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000021740550 846489685 /nfs/dbraw/zinc/48/96/85/846489685.db2.gz POUHMBAVAJVQME-KRWDZBQOSA-N 0 0 422.890 4.151 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(OCC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000021763562 846493707 /nfs/dbraw/zinc/49/37/07/846493707.db2.gz NUHFNZACIJLAKZ-OAHLLOKOSA-N 0 0 400.431 4.122 20 5 HIBDRN O=C(NCCc1ccccn1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000021773182 846494589 /nfs/dbraw/zinc/49/45/89/846494589.db2.gz QFKMIVXXIXVCSN-UHFFFAOYSA-N 0 0 410.861 4.228 20 5 HIBDRN CCn1ccnc1S[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000021830193 846498776 /nfs/dbraw/zinc/49/87/76/846498776.db2.gz VDNOCHOMUUCWMB-NSHDSACASA-N 0 0 403.489 4.054 20 5 HIBDRN CCC[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000021838576 846500474 /nfs/dbraw/zinc/50/04/74/846500474.db2.gz HOSJWFYAJGYDGL-INIZCTEOSA-N 0 0 411.487 4.146 20 5 HIBDRN Cc1cc(=O)c(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] ZINC000021888256 846506704 /nfs/dbraw/zinc/50/67/04/846506704.db2.gz UFNPVVHYQDGGMU-UHFFFAOYSA-N 0 0 419.224 4.008 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000021885141 846506988 /nfs/dbraw/zinc/50/69/88/846506988.db2.gz IXNPYPZSIYXRRI-UHFFFAOYSA-N 0 0 404.426 4.206 20 5 HIBDRN COc1ccc(OCc2csc(N(C(C)=O)c3ccccc3F)n2)c([N+](=O)[O-])c1 ZINC000022044248 846524396 /nfs/dbraw/zinc/52/43/96/846524396.db2.gz WWZOHTNTYVHGBO-UHFFFAOYSA-N 0 0 417.418 4.463 20 5 HIBDRN C[C@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000022171784 846541017 /nfs/dbraw/zinc/54/10/17/846541017.db2.gz QEGKHAXJNBWMTR-JTQLQIEISA-N 0 0 419.463 4.448 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000022188080 846542900 /nfs/dbraw/zinc/54/29/00/846542900.db2.gz NWURFGSPSMGKFZ-OAHLLOKOSA-N 0 0 422.384 4.009 20 5 HIBDRN C[C@H](NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C)c1ccc(F)cc1 ZINC000022254205 846551088 /nfs/dbraw/zinc/55/10/88/846551088.db2.gz CDQDGIOSKVELBZ-AWEZNQCLSA-N 0 0 421.497 4.195 20 5 HIBDRN Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1C ZINC000022390766 846564124 /nfs/dbraw/zinc/56/41/24/846564124.db2.gz CVBGAQHDSCYLGY-UHFFFAOYSA-N 0 0 411.487 4.071 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000022469696 846575396 /nfs/dbraw/zinc/57/53/96/846575396.db2.gz KHRNAGDHUCWLDZ-BXUZGUMPSA-N 0 0 408.863 4.219 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000022468466 846575576 /nfs/dbraw/zinc/57/55/76/846575576.db2.gz GZGDWFXKZVCEMF-WDEREUQCSA-N 0 0 411.241 4.324 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000022556029 846586832 /nfs/dbraw/zinc/58/68/32/846586832.db2.gz LQPDRCQJQDDYIF-INIZCTEOSA-N 0 0 420.849 4.008 20 5 HIBDRN C[C@@H](OC(=O)CSC(C)(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000022613840 846593646 /nfs/dbraw/zinc/59/36/46/846593646.db2.gz FRRJJUMUYKTAGE-LLVKDONJSA-N 0 0 423.516 4.120 20 5 HIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000022669512 846599795 /nfs/dbraw/zinc/59/97/95/846599795.db2.gz SPXHFGIKVMRVOP-IAQYHMDHSA-N 0 0 408.863 4.219 20 5 HIBDRN CN(c1ccc(Oc2ncccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000022800519 846622927 /nfs/dbraw/zinc/62/29/27/846622927.db2.gz OTOPNRYLRHKRSF-UHFFFAOYSA-N 0 0 419.846 4.261 20 5 HIBDRN C[C@H](c1nnc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1)N(C)C ZINC000022876458 846630675 /nfs/dbraw/zinc/63/06/75/846630675.db2.gz HFOMVKOKXIWOTF-CYBMUJFWSA-N 0 0 401.467 4.230 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1noc(-c2cccs2)n1 ZINC000023204753 846669531 /nfs/dbraw/zinc/66/95/31/846669531.db2.gz OSLNPEMWSLLDLK-UHFFFAOYSA-N 0 0 417.446 4.010 20 5 HIBDRN CCCCc1nnc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000023362717 846690483 /nfs/dbraw/zinc/69/04/83/846690483.db2.gz UAGZGXNVDRJYLG-CYBMUJFWSA-N 0 0 403.508 4.278 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1OC ZINC000023385946 846692654 /nfs/dbraw/zinc/69/26/54/846692654.db2.gz PGWHPCFMWCFXSQ-GOSISDBHSA-N 0 0 411.458 4.164 20 5 HIBDRN C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000023493967 846709222 /nfs/dbraw/zinc/70/92/22/846709222.db2.gz INFLCCUWQOMBGS-INIZCTEOSA-N 0 0 404.422 4.331 20 5 HIBDRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000023503624 846710503 /nfs/dbraw/zinc/71/05/03/846710503.db2.gz GUTKLJDYUVEWRM-GOSISDBHSA-N 0 0 404.850 4.323 20 5 HIBDRN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(Br)cc1 ZINC000023819425 846752301 /nfs/dbraw/zinc/75/23/01/846752301.db2.gz WFOGGJUKHGBSBX-UHFFFAOYSA-N 0 0 403.236 4.039 20 5 HIBDRN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023918586 846758653 /nfs/dbraw/zinc/75/86/53/846758653.db2.gz PKPXDBNEBMPTHJ-KXKDPZRNSA-N 0 0 422.510 4.123 20 5 HIBDRN Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1C ZINC000023999952 846770301 /nfs/dbraw/zinc/77/03/01/846770301.db2.gz FOVUOAANOLBGCO-AWEZNQCLSA-N 0 0 411.487 4.126 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ncc(Cc3cccc(OC)c3)s2)cc1[N+](=O)[O-] ZINC000024031517 846778196 /nfs/dbraw/zinc/77/81/96/846778196.db2.gz KCEXLHAXZJSUMP-UHFFFAOYSA-N 0 0 413.455 4.302 20 5 HIBDRN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000024034837 846778387 /nfs/dbraw/zinc/77/83/87/846778387.db2.gz GJFFOLRPMOWBLT-QFIPXVFZSA-N 0 0 417.421 4.446 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000024049109 846782232 /nfs/dbraw/zinc/78/22/32/846782232.db2.gz QSCXWJBXMXXWDQ-GFCCVEGCSA-N 0 0 400.485 4.156 20 5 HIBDRN CCOc1cc2c(cc1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000024081280 846786204 /nfs/dbraw/zinc/78/62/04/846786204.db2.gz OYGCNTGRCIGCLA-KGLIPLIRSA-N 0 0 416.499 4.114 20 5 HIBDRN Cc1[nH]c2ccccc2c1CC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000024769018 846865041 /nfs/dbraw/zinc/86/50/41/846865041.db2.gz SHUPUHIABNOBKM-HXUWFJFHSA-N 0 0 423.469 4.126 20 5 HIBDRN Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000024997880 846901731 /nfs/dbraw/zinc/90/17/31/846901731.db2.gz WZHJIUNZFAQAFX-QWHCGFSZSA-N 0 0 406.435 4.093 20 5 HIBDRN O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000436388811 861731571 /nfs/dbraw/zinc/73/15/71/861731571.db2.gz LSVWIBDYYVSFMG-LJQANCHMSA-N 0 0 412.877 4.169 20 5 HIBDRN CC(C)n1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O ZINC000025115782 846930317 /nfs/dbraw/zinc/93/03/17/846930317.db2.gz OOSMPNLRRJIFFP-CYBMUJFWSA-N 0 0 412.471 4.005 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C)c([N+](=O)[O-])c1 ZINC000436391625 861735449 /nfs/dbraw/zinc/73/54/49/861735449.db2.gz QZVBOVQYAHVYFH-GOEBONIOSA-N 0 0 403.822 4.021 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000025181714 846937658 /nfs/dbraw/zinc/93/76/58/846937658.db2.gz TXZMVZUFAXPOIC-FZKQIMNGSA-N 0 0 407.923 4.148 20 5 HIBDRN Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000025375064 846970181 /nfs/dbraw/zinc/97/01/81/846970181.db2.gz JWYXTXKWICLTQX-CQSZACIVSA-N 0 0 412.467 4.322 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000025387736 846971339 /nfs/dbraw/zinc/97/13/39/846971339.db2.gz DAYBWFJYMPLYBH-UHFFFAOYSA-N 0 0 410.357 4.185 20 5 HIBDRN COc1ccc(Cl)cc1CN(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000025458343 846980798 /nfs/dbraw/zinc/98/07/98/846980798.db2.gz VRHIYRVEIOFSSO-UHFFFAOYSA-N 0 0 420.896 4.475 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000025496530 846987994 /nfs/dbraw/zinc/98/79/94/846987994.db2.gz ILJOWRGHVRETBJ-UHFFFAOYSA-N 0 0 413.783 4.229 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000026052956 847078325 /nfs/dbraw/zinc/07/83/25/847078325.db2.gz BKMDPUZFCSNHMF-NSHDSACASA-N 0 0 410.373 4.095 20 5 HIBDRN O=C(CSc1nnc(-c2cc3ccccc3o2)o1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000026101770 847085611 /nfs/dbraw/zinc/08/56/11/847085611.db2.gz OWFRIUQEBNNMLS-UHFFFAOYSA-N 0 0 414.374 4.261 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000026113585 847087327 /nfs/dbraw/zinc/08/73/27/847087327.db2.gz IRAWAVMDHLZANH-UHFFFAOYSA-N 0 0 416.739 4.371 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000026113655 847088004 /nfs/dbraw/zinc/08/80/04/847088004.db2.gz KLDZRLBOCZCUML-UHFFFAOYSA-N 0 0 416.739 4.371 20 5 HIBDRN Cc1ccc([C@H](NC(=O)COC(=O)c2c(C)cccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000026120371 847090146 /nfs/dbraw/zinc/09/01/46/847090146.db2.gz CNTIAHDSBMOGNC-NRFANRHFSA-N 0 0 424.478 4.336 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCc1nnc(-c2ccc(Br)s2)o1 ZINC000026121312 847091291 /nfs/dbraw/zinc/09/12/91/847091291.db2.gz KLLOYUZMDLJNPU-UHFFFAOYSA-N 0 0 424.232 4.134 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N(C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000026214295 847103950 /nfs/dbraw/zinc/10/39/50/847103950.db2.gz SZPMPPAXABBDSX-ZDUSSCGKSA-N 0 0 406.280 4.125 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)sc2Cl)cccc1[N+](=O)[O-] ZINC000026343003 847129388 /nfs/dbraw/zinc/12/93/88/847129388.db2.gz CRRPBRUGHFUPKQ-QMMMGPOBSA-N 0 0 403.243 4.456 20 5 HIBDRN COc1ccc(NC(=O)CCSc2nnc(-c3ccccc3C)o2)c([N+](=O)[O-])c1 ZINC000026352754 847131362 /nfs/dbraw/zinc/13/13/62/847131362.db2.gz GIXUSXWJTFOCAG-UHFFFAOYSA-N 0 0 414.443 4.083 20 5 HIBDRN Cc1nnc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1-c1ccccc1C ZINC000026355359 847132256 /nfs/dbraw/zinc/13/22/56/847132256.db2.gz SLYGOAKGQVVLHG-UHFFFAOYSA-N 0 0 411.487 4.222 20 5 HIBDRN Cc1c2cccc(F)c2oc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000026359415 847133454 /nfs/dbraw/zinc/13/34/54/847133454.db2.gz OFEZAMIAZNHSRM-LBPRGKRZSA-N 0 0 400.362 4.281 20 5 HIBDRN O=C(CCSc1nnc(-c2c[nH]c3ccccc32)o1)Nc1ccccc1[N+](=O)[O-] ZINC000026363145 847134288 /nfs/dbraw/zinc/13/42/88/847134288.db2.gz WHRFVCPTOJEWEO-UHFFFAOYSA-N 0 0 409.427 4.247 20 5 HIBDRN O=C(CCSc1nnc(Nc2ccccc2)s1)Nc1ccccc1[N+](=O)[O-] ZINC000026370796 847135197 /nfs/dbraw/zinc/13/51/97/847135197.db2.gz LLIUCNJATURJSZ-UHFFFAOYSA-N 0 0 401.473 4.311 20 5 HIBDRN O=C(CCSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000026368941 847135473 /nfs/dbraw/zinc/13/54/73/847135473.db2.gz NPFYBTPQDQIYIX-UHFFFAOYSA-N 0 0 409.471 4.174 20 5 HIBDRN Cc1ccc([C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c2cccs2)cc1 ZINC000026462667 847154680 /nfs/dbraw/zinc/15/46/80/847154680.db2.gz CFOMELGMEWAIMW-NRFANRHFSA-N 0 0 410.451 4.062 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2C=O)c2cccs2)cc1 ZINC000026467836 847154847 /nfs/dbraw/zinc/15/48/47/847154847.db2.gz PMMYVNYMJNYJAD-OAQYLSRUSA-N 0 0 410.451 4.062 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1ccc(Cl)s1 ZINC000026727097 847191100 /nfs/dbraw/zinc/19/11/00/847191100.db2.gz GCZXBMMFHLUDAE-UHFFFAOYSA-N 0 0 415.924 4.096 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000026889014 847216983 /nfs/dbraw/zinc/21/69/83/847216983.db2.gz AFQPXHHTEPHXBF-UHFFFAOYSA-N 0 0 410.257 4.311 20 5 HIBDRN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000026909362 847221192 /nfs/dbraw/zinc/22/11/92/847221192.db2.gz ZSZUBRACZHXBQZ-AWEZNQCLSA-N 0 0 416.861 4.232 20 5 HIBDRN C[C@H](c1nc(-c2cccs2)no1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000026922727 847221805 /nfs/dbraw/zinc/22/18/05/847221805.db2.gz GHDWGHZAUYHPMO-GFCCVEGCSA-N 0 0 419.894 4.243 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000026950065 847225065 /nfs/dbraw/zinc/22/50/65/847225065.db2.gz PMJKAWLCNUVLHU-KRWDZBQOSA-N 0 0 405.248 4.247 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2OCC(F)(F)F)cc1OC ZINC000026954287 847226656 /nfs/dbraw/zinc/22/66/56/847226656.db2.gz UJQWYUSDOUVJDY-UHFFFAOYSA-N 0 0 414.336 4.196 20 5 HIBDRN COc1cccc(CN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000027321701 847282394 /nfs/dbraw/zinc/28/23/94/847282394.db2.gz HQWGJKNORJQVJD-UHFFFAOYSA-N 0 0 405.454 4.488 20 5 HIBDRN CCOc1cc(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)c([N+](=O)[O-])cc1OC ZINC000028000775 847373943 /nfs/dbraw/zinc/37/39/43/847373943.db2.gz MBUNOAQBQDDEIM-UHFFFAOYSA-N 0 0 416.361 4.153 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000028043213 847379205 /nfs/dbraw/zinc/37/92/05/847379205.db2.gz FDPWEITWQVAFOI-CQSZACIVSA-N 0 0 401.271 4.427 20 5 HIBDRN CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000028301149 847404012 /nfs/dbraw/zinc/40/40/12/847404012.db2.gz ZMRAFEHFRKDDKX-UHFFFAOYSA-N 0 0 415.254 4.419 20 5 HIBDRN O=C(COC(=O)CSc1cc(Cl)ccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000028300475 847404257 /nfs/dbraw/zinc/40/42/57/847404257.db2.gz GFEXSXCVVAIATD-UHFFFAOYSA-N 0 0 415.254 4.176 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N2CCSc3ccccc32)c1 ZINC000028401020 847416063 /nfs/dbraw/zinc/41/60/63/847416063.db2.gz IORLZJMGKVQBPL-LBPRGKRZSA-N 0 0 418.496 4.001 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000028423912 847420578 /nfs/dbraw/zinc/42/05/78/847420578.db2.gz WJBGALYFYGEIJL-LBPRGKRZSA-N 0 0 421.247 4.158 20 5 HIBDRN Cc1ccc(CCC(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000028498974 847429958 /nfs/dbraw/zinc/42/99/58/847429958.db2.gz SELYOMLZAVAPCI-CQSZACIVSA-N 0 0 404.850 4.368 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c([N+](=O)[O-])cc1OC ZINC000028605382 847434888 /nfs/dbraw/zinc/43/48/88/847434888.db2.gz DTAIUINATGBERA-UHFFFAOYSA-N 0 0 421.381 4.266 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc([N+](=O)[O-])c1 ZINC000028605113 847435183 /nfs/dbraw/zinc/43/51/83/847435183.db2.gz JKENCZKXPDTSBZ-UHFFFAOYSA-N 0 0 422.422 4.010 20 5 HIBDRN CCc1nc2ccccc2c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C ZINC000028614617 847437408 /nfs/dbraw/zinc/43/74/08/847437408.db2.gz MESQCNRZGCKXNK-UHFFFAOYSA-N 0 0 418.409 4.421 20 5 HIBDRN CSc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000028677486 847445898 /nfs/dbraw/zinc/44/58/98/847445898.db2.gz LDTIPPKAFKCIEE-GFCCVEGCSA-N 0 0 406.533 4.257 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000028790355 847461722 /nfs/dbraw/zinc/46/17/22/847461722.db2.gz OLFRMECRCOHKGH-UHFFFAOYSA-N 0 0 407.426 4.059 20 5 HIBDRN O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000028811140 847463793 /nfs/dbraw/zinc/46/37/93/847463793.db2.gz JXUIBFVDNQUTTF-UHFFFAOYSA-N 0 0 424.478 4.085 20 5 HIBDRN COc1ccc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000028856145 847469504 /nfs/dbraw/zinc/46/95/04/847469504.db2.gz ZTAUOLNTPZGUSH-UHFFFAOYSA-N 0 0 424.457 4.104 20 5 HIBDRN Cc1ccnc(-n2c(=O)c3ccccc3nc2Sc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000029072504 847500972 /nfs/dbraw/zinc/50/09/72/847500972.db2.gz KUFVSGNXFXTNEJ-UHFFFAOYSA-N 0 0 408.414 4.288 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000029252154 847530405 /nfs/dbraw/zinc/53/04/05/847530405.db2.gz CRRYMJVABACOJN-CQSZACIVSA-N 0 0 413.499 4.130 20 5 HIBDRN CC(C)[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000029274570 847536665 /nfs/dbraw/zinc/53/66/65/847536665.db2.gz WAEYOMKOPNUONT-GOSISDBHSA-N 0 0 408.813 4.058 20 5 HIBDRN O=C(NCCC(=O)N1CCCC[C@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000436442447 861804055 /nfs/dbraw/zinc/80/40/55/861804055.db2.gz OYCGYFCZQGJXOV-IBGZPJMESA-N 0 0 415.877 4.122 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000436449736 861807461 /nfs/dbraw/zinc/80/74/61/861807461.db2.gz GNDWDYWPFHVOKY-KRWDZBQOSA-N 0 0 411.849 4.196 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000029713059 847605515 /nfs/dbraw/zinc/60/55/15/847605515.db2.gz LQOINJFBWIASMB-QFIPXVFZSA-N 0 0 402.454 4.109 20 5 HIBDRN CCn1c(=O)c2cc(Br)ccc2nc1SCc1ccc([N+](=O)[O-])cc1 ZINC000029739408 847612616 /nfs/dbraw/zinc/61/26/16/847612616.db2.gz RALUVVVZFYCXRK-UHFFFAOYSA-N 0 0 420.288 4.379 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc([N+](=O)[O-])c1 ZINC000029790859 847620426 /nfs/dbraw/zinc/62/04/26/847620426.db2.gz XZQGAXFQEPOUTN-UHFFFAOYSA-N 0 0 411.439 4.071 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000029882389 847640711 /nfs/dbraw/zinc/64/07/11/847640711.db2.gz DBYNIHLMHSESIZ-QFIPXVFZSA-N 0 0 413.437 4.003 20 5 HIBDRN Cc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cnn1-c1cccc(C(F)(F)F)c1 ZINC000029888337 847642048 /nfs/dbraw/zinc/64/20/48/847642048.db2.gz OZGXATMXBXPHEP-UHFFFAOYSA-N 0 0 416.359 4.311 20 5 HIBDRN O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029888839 847642143 /nfs/dbraw/zinc/64/21/43/847642143.db2.gz BABVPOQNSQULBV-UHFFFAOYSA-N 0 0 417.450 4.107 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(Cc2ccco2)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000030223546 847691422 /nfs/dbraw/zinc/69/14/22/847691422.db2.gz GOSZIJZZTLDWNA-UHFFFAOYSA-N 0 0 408.410 4.207 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000030333273 847703072 /nfs/dbraw/zinc/70/30/72/847703072.db2.gz KXFLUSUEYRIXID-SFHVURJKSA-N 0 0 406.460 4.172 20 5 HIBDRN CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000030475752 847718923 /nfs/dbraw/zinc/71/89/23/847718923.db2.gz VEZMDJAVQNFTAY-UHFFFAOYSA-N 0 0 411.437 4.147 20 5 HIBDRN CCCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)s1 ZINC000030561433 847736158 /nfs/dbraw/zinc/73/61/58/847736158.db2.gz 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ZINC000053559812 849731885 /nfs/dbraw/zinc/73/18/85/849731885.db2.gz RLNPZBNSGUXEGR-CQSZACIVSA-N 0 0 401.463 4.171 20 5 HIBDRN CCc1cc(NC2CCN(c3ccccn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053562397 849732049 /nfs/dbraw/zinc/73/20/49/849732049.db2.gz ONMXVWHQAMXFBT-UHFFFAOYSA-N 0 0 404.474 4.090 20 5 HIBDRN Cn1cc(-c2nc(CSc3nc4cc5ccccc5cc4c(=O)n3C)cs2)cn1 ZINC000053571466 849732680 /nfs/dbraw/zinc/73/26/80/849732680.db2.gz YKWHKAWRFTVRAT-UHFFFAOYSA-N 0 0 419.535 4.236 20 5 HIBDRN CNC(=O)c1ccc(Sc2nnc(-c3ccc4ccccc4c3)o2)c([N+](=O)[O-])c1 ZINC000053572892 849733154 /nfs/dbraw/zinc/73/31/54/849733154.db2.gz NACYAEQPMMOGHZ-UHFFFAOYSA-N 0 0 406.423 4.309 20 5 HIBDRN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000053599552 849736883 /nfs/dbraw/zinc/73/68/83/849736883.db2.gz HKORPBKSEJWXHH-LLVKDONJSA-N 0 0 409.343 4.179 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000053701153 849746881 /nfs/dbraw/zinc/74/68/81/849746881.db2.gz 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COc1ccc([N+](=O)[O-])cc1OCc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000054912278 849939877 /nfs/dbraw/zinc/93/98/77/849939877.db2.gz NWWBCAJVEZJXSY-UHFFFAOYSA-N 0 0 417.418 4.463 20 5 HIBDRN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000054919781 849942622 /nfs/dbraw/zinc/94/26/22/849942622.db2.gz JCFQVQHLIRAKSL-UHFFFAOYSA-N 0 0 409.284 4.439 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)nc2cc(Br)ccc21 ZINC000055012725 849955738 /nfs/dbraw/zinc/95/57/38/849955738.db2.gz NJYXAOCFKGPVOW-UHFFFAOYSA-N 0 0 416.231 4.475 20 5 HIBDRN CC(=O)Nc1c(C)ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000055156377 849979720 /nfs/dbraw/zinc/97/97/20/849979720.db2.gz XOUPHUYNLKVYSB-GFCCVEGCSA-N 0 0 404.854 4.263 20 5 HIBDRN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055465369 850031706 /nfs/dbraw/zinc/03/17/06/850031706.db2.gz UGNNXONHJQDOAW-LBPRGKRZSA-N 0 0 412.471 4.378 20 5 HIBDRN C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000055466143 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CC(C)CNC(=O)c1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1Cl ZINC000055804826 850160170 /nfs/dbraw/zinc/16/01/70/850160170.db2.gz HSZCWDLNVFKJMJ-UHFFFAOYSA-N 0 0 419.865 4.042 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000055860558 850182343 /nfs/dbraw/zinc/18/23/43/850182343.db2.gz YSBGEQBQTRTHRA-OAHLLOKOSA-N 0 0 405.248 4.100 20 5 HIBDRN CC(C)COC1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000055910155 850205342 /nfs/dbraw/zinc/20/53/42/850205342.db2.gz BRCRAHGDDDDEEW-KRWDZBQOSA-N 0 0 403.523 4.108 20 5 HIBDRN COc1ccc([C@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000055941514 850210943 /nfs/dbraw/zinc/21/09/43/850210943.db2.gz IHPSGIVCYGDKNH-KSFYIVLOSA-N 0 0 405.454 4.310 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000055941742 850211598 /nfs/dbraw/zinc/21/15/98/850211598.db2.gz RUDOBVSMGNVOAT-CQSZACIVSA-N 0 0 407.401 4.477 20 5 HIBDRN Cc1cc(CN(C)C(=O)c2csc([N+](=O)[O-])c2)cc(C)c1OCC(F)(F)F 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WEUXYDBNTBCCKG-UHFFFAOYSA-N 0 0 407.879 4.119 20 5 HIBDRN Cc1ccc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 ZINC000056171941 850271015 /nfs/dbraw/zinc/27/10/15/850271015.db2.gz IZORMYXRAAJCRA-FQEVSTJZSA-N 0 0 410.861 4.421 20 5 HIBDRN C[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056174791 850272793 /nfs/dbraw/zinc/27/27/93/850272793.db2.gz YSBYDFCJTSBJIL-HNNXBMFYSA-N 0 0 404.426 4.286 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCO[C@H]2CCC[C@H]21 ZINC000056195339 850278279 /nfs/dbraw/zinc/27/82/79/850278279.db2.gz SDIRQVIJYBCYAW-QUCCMNQESA-N 0 0 415.877 4.254 20 5 HIBDRN O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056224262 850289636 /nfs/dbraw/zinc/28/96/36/850289636.db2.gz PSLAYWFEBJWKNG-UHFFFAOYSA-N 0 0 406.442 4.391 20 5 HIBDRN O=C(NCc1ccco1)Nc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000056346453 850329056 /nfs/dbraw/zinc/32/90/56/850329056.db2.gz SLULHVFVGRABSY-UHFFFAOYSA-N 0 0 419.397 4.243 20 5 HIBDRN O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000056350185 850331920 /nfs/dbraw/zinc/33/19/20/850331920.db2.gz RPCLPGOFWQEDNX-QGZVFWFLSA-N 0 0 411.458 4.369 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000056407726 850352553 /nfs/dbraw/zinc/35/25/53/850352553.db2.gz DJLKGQZXDREPPT-UHFFFAOYSA-N 0 0 412.877 4.078 20 5 HIBDRN CCOc1cc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000056411178 850353630 /nfs/dbraw/zinc/35/36/30/850353630.db2.gz NAUGOMRKKVLQIP-LBPRGKRZSA-N 0 0 409.389 4.155 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000056527735 850384439 /nfs/dbraw/zinc/38/44/39/850384439.db2.gz CMGKLSJXEMLAJN-UHFFFAOYSA-N 0 0 412.446 4.054 20 5 HIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)NCc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000056740818 850460488 /nfs/dbraw/zinc/46/04/88/850460488.db2.gz HDHFUMBSBHVTBM-UHFFFAOYSA-N 0 0 408.458 4.174 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 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CC(C)(C)c1csc(CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000437159715 862352845 /nfs/dbraw/zinc/35/28/45/862352845.db2.gz HJSQZHZVVROAHR-UHFFFAOYSA-N 0 0 401.410 4.340 20 5 HIBDRN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000071794818 852406097 /nfs/dbraw/zinc/40/60/97/852406097.db2.gz KKUKMKYSKQIAPL-JRUMVTRASA-N 0 0 417.481 4.030 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000071854478 852419935 /nfs/dbraw/zinc/41/99/35/852419935.db2.gz QLKCQCCITZGZRO-IBGZPJMESA-N 0 0 404.488 4.218 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2ccc3ccccc3c2Br)cc1 ZINC000071872553 852422926 /nfs/dbraw/zinc/42/29/26/852422926.db2.gz QSEJHRLILGXJTL-UHFFFAOYSA-N 0 0 422.256 4.419 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccnc1N1CCCCC1 ZINC000071918888 852431084 /nfs/dbraw/zinc/43/10/84/852431084.db2.gz SSGFUSJUIFGMCH-UHFFFAOYSA-N 0 0 409.471 4.356 20 5 HIBDRN CC[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1 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VVEQJBRUKCYRIB-UHFFFAOYSA-N 0 0 422.315 4.257 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])c(C(F)(F)F)c2)n1 ZINC000072037084 852479300 /nfs/dbraw/zinc/47/93/00/852479300.db2.gz MTIXAJNWBXTHGZ-UHFFFAOYSA-N 0 0 418.375 4.346 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1)n1cc([N+](=O)[O-])cn1 ZINC000078721604 852527852 /nfs/dbraw/zinc/52/78/52/852527852.db2.gz JFXPGJCGYWADTG-UHFFFAOYSA-N 0 0 413.865 4.431 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CCCc3c(Cl)ccc(F)c32)cc([N+](=O)[O-])c1 ZINC000078721430 852528514 /nfs/dbraw/zinc/52/85/14/852528514.db2.gz DEVABASJCCLONK-UHFFFAOYSA-N 0 0 406.797 4.157 20 5 HIBDRN COc1ccc(OC)c(CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)c1 ZINC000097306731 852600423 /nfs/dbraw/zinc/60/04/23/852600423.db2.gz KGEHETOYXKUFCG-UHFFFAOYSA-N 0 0 405.838 4.462 20 5 HIBDRN Cc1cccc(-c2nnc(SCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)n2C)c1 ZINC000097402642 852608036 /nfs/dbraw/zinc/60/80/36/852608036.db2.gz XQPBTFRXHYAYGG-UHFFFAOYSA-N 0 0 408.443 4.041 20 5 HIBDRN 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20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3csc(-c4ncccn4)n3)n2)cc1[N+](=O)[O-] ZINC000108258940 852833242 /nfs/dbraw/zinc/83/32/42/852833242.db2.gz UIQYDWSURUWZHD-UHFFFAOYSA-N 0 0 424.467 4.193 20 5 HIBDRN CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000108343639 852841374 /nfs/dbraw/zinc/84/13/74/852841374.db2.gz BDGONTMCSWXCFD-QGZVFWFLSA-N 0 0 422.485 4.319 20 5 HIBDRN CCC(CC)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccs1 ZINC000108389160 852844914 /nfs/dbraw/zinc/84/49/14/852844914.db2.gz XSDFTIJXWKKMQS-HXUWFJFHSA-N 0 0 417.531 4.400 20 5 HIBDRN C[C@H](NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000108468171 852853911 /nfs/dbraw/zinc/85/39/11/852853911.db2.gz VOCSXHCQMTULKK-INIZCTEOSA-N 0 0 416.909 4.227 20 5 HIBDRN Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1Oc1cccnc1 ZINC000108944355 852896718 /nfs/dbraw/zinc/89/67/18/852896718.db2.gz PVWIHMOXAMGPBI-UHFFFAOYSA-N 0 0 407.382 4.114 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])s3)c(C(F)(F)F)c2)n1 ZINC000109090086 852920232 /nfs/dbraw/zinc/92/02/32/852920232.db2.gz REEYTEPYMCXXNO-UHFFFAOYSA-N 0 0 424.404 4.408 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccnn1-c1ccccc1 ZINC000437218312 862410596 /nfs/dbraw/zinc/41/05/96/862410596.db2.gz RFUVQEOLSSIYKY-UHFFFAOYSA-N 0 0 419.363 4.240 20 5 HIBDRN Cc1ccccc1C1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCOCC1 ZINC000437218059 862410846 /nfs/dbraw/zinc/41/08/46/862410846.db2.gz CNXVXKUPKSRSTR-UHFFFAOYSA-N 0 0 422.403 4.400 20 5 HIBDRN CC(C)[C@H]1CN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCS1 ZINC000437221528 862414594 /nfs/dbraw/zinc/41/45/94/862414594.db2.gz OOHQUNCTFUJLJP-MGPUTAFESA-N 0 0 414.531 4.377 20 5 HIBDRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000109609744 852991013 /nfs/dbraw/zinc/99/10/13/852991013.db2.gz XRLSYVMGVZYJBV-XLIONFOSSA-N 0 0 423.513 4.347 20 5 HIBDRN C[C@H](Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000109842039 853021393 /nfs/dbraw/zinc/02/13/93/853021393.db2.gz WWCXNVBSJZBLIF-ZDUSSCGKSA-N 0 0 410.455 4.348 20 5 HIBDRN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000109848722 853022444 /nfs/dbraw/zinc/02/24/44/853022444.db2.gz MIXMCYYFZSKKNY-UHFFFAOYSA-N 0 0 416.441 4.313 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000109886439 853029252 /nfs/dbraw/zinc/02/92/52/853029252.db2.gz OGFXCKZUDDYQJC-UHFFFAOYSA-N 0 0 418.375 4.057 20 5 HIBDRN O=C(Nc1ncccc1OCC1CCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000109897118 853031231 /nfs/dbraw/zinc/03/12/31/853031231.db2.gz QVQMTLAMTYBRJF-UHFFFAOYSA-N 0 0 421.457 4.387 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000110320434 853087289 /nfs/dbraw/zinc/08/72/89/853087289.db2.gz MTTOFHFVEQUIAG-KUHUBIRLSA-N 0 0 415.877 4.039 20 5 HIBDRN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000110357175 853091533 /nfs/dbraw/zinc/09/15/33/853091533.db2.gz RIDRSYUGWODOIV-CYBMUJFWSA-N 0 0 408.285 4.466 20 5 HIBDRN CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000110395999 853095531 /nfs/dbraw/zinc/09/55/31/853095531.db2.gz GTXVSJAFYVGAPM-UHFFFAOYSA-N 0 0 400.822 4.122 20 5 HIBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](Nc3ccccc3)C2)CC1 ZINC000110552966 853117095 /nfs/dbraw/zinc/11/70/95/853117095.db2.gz SPYPCBCVYXBYLT-IBGZPJMESA-N 0 0 408.502 4.158 20 5 HIBDRN CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000110823992 853155006 /nfs/dbraw/zinc/15/50/06/853155006.db2.gz YSRACTIQYPDLHX-UHFFFAOYSA-N 0 0 400.460 4.195 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000110846312 853156504 /nfs/dbraw/zinc/15/65/04/853156504.db2.gz OZHGDDFNDVRQTD-HNNXBMFYSA-N 0 0 414.405 4.448 20 5 HIBDRN O=C(CN(CCCO)C(c1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000110938952 853171446 /nfs/dbraw/zinc/17/14/46/853171446.db2.gz CDQJJBNTANEWPY-UHFFFAOYSA-N 0 0 419.481 4.007 20 5 HIBDRN O=C(c1cc(N[C@@H](c2ccccc2)c2ccccn2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000111221112 853226872 /nfs/dbraw/zinc/22/68/72/853226872.db2.gz SQTAGZZNLHQKHO-QFIPXVFZSA-N 0 0 402.454 4.427 20 5 HIBDRN O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000115331185 853250220 /nfs/dbraw/zinc/25/02/20/853250220.db2.gz LXTPJNOYVHRKQZ-QFIPXVFZSA-N 0 0 414.417 4.252 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccco2)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000115378825 853250594 /nfs/dbraw/zinc/25/05/94/853250594.db2.gz CQKNVVLQRKWFII-SFHVURJKSA-N 0 0 418.352 4.317 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000115379567 853250977 /nfs/dbraw/zinc/25/09/77/853250977.db2.gz JBKVZJBJUZFTJW-GOSISDBHSA-N 0 0 424.400 4.341 20 5 HIBDRN Cc1csc(CCNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)n1 ZINC000115630749 853256052 /nfs/dbraw/zinc/25/60/52/853256052.db2.gz AAZIZGAYYXQZKM-UHFFFAOYSA-N 0 0 420.541 4.248 20 5 HIBDRN COc1cc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1SC ZINC000116205093 853291962 /nfs/dbraw/zinc/29/19/62/853291962.db2.gz DVPNFHJAXQZAJT-UHFFFAOYSA-N 0 0 409.895 4.049 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000116505288 853310399 /nfs/dbraw/zinc/31/03/99/853310399.db2.gz AYVWBDXLWAPYHU-UHFFFAOYSA-N 0 0 423.498 4.122 20 5 HIBDRN CC(C)Oc1ncc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1Cl ZINC000116637390 853322095 /nfs/dbraw/zinc/32/20/95/853322095.db2.gz KRVPXJQTFHYOIX-UHFFFAOYSA-N 0 0 401.810 4.073 20 5 HIBDRN Cc1nn(CCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000116661833 853323105 /nfs/dbraw/zinc/32/31/05/853323105.db2.gz DZFBFJZFCRNIFD-MRXNPFEDSA-N 0 0 411.289 4.469 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCc3cc(-c4ccccc4)on3)cc2[N+](=O)[O-])C1 ZINC000116685575 853325050 /nfs/dbraw/zinc/32/50/50/853325050.db2.gz CUPGUTAFVNLBME-MRXNPFEDSA-N 0 0 420.469 4.416 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000117119705 853343921 /nfs/dbraw/zinc/34/39/21/853343921.db2.gz DGEOOUOFJQKTSG-GFCCVEGCSA-N 0 0 424.400 4.483 20 5 HIBDRN O=C(NC[C@@H]1CCCc2ccccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000117167673 853347418 /nfs/dbraw/zinc/34/74/18/853347418.db2.gz DCQHSKLETKJFEJ-AWEZNQCLSA-N 0 0 408.376 4.386 20 5 HIBDRN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000437244950 862461081 /nfs/dbraw/zinc/46/10/81/862461081.db2.gz IAJCXLMNPSOSBD-HNNXBMFYSA-N 0 0 421.419 4.350 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2ccc(Br)cc2Cl)c1 ZINC000139596213 853414172 /nfs/dbraw/zinc/41/41/72/853414172.db2.gz MFEDAOHIFRSWSP-UHFFFAOYSA-N 0 0 404.669 4.126 20 5 HIBDRN O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000139846757 853423654 /nfs/dbraw/zinc/42/36/54/853423654.db2.gz MMIGVUSXUGQHNA-UHFFFAOYSA-N 0 0 421.369 4.399 20 5 HIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCC[C@H]1c1ccccc1Cl ZINC000140728295 853451708 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PWDOJIICTAMXKC-UHFFFAOYSA-N 0 0 417.874 4.208 20 5 HIBDRN CC(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c(C(C)C)c1 ZINC000147002909 853579769 /nfs/dbraw/zinc/57/97/69/853579769.db2.gz BPLCYKDPIMRXRK-UHFFFAOYSA-N 0 0 404.488 4.497 20 5 HIBDRN COc1cc(OCC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000147019115 853580766 /nfs/dbraw/zinc/58/07/66/853580766.db2.gz UDSPZBOLVVKJMX-OAQYLSRUSA-N 0 0 412.467 4.258 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c1 ZINC000147046117 853581169 /nfs/dbraw/zinc/58/11/69/853581169.db2.gz HDXRVJCETBIYNC-UHFFFAOYSA-N 0 0 404.272 4.059 20 5 HIBDRN O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000147611725 853590507 /nfs/dbraw/zinc/59/05/07/853590507.db2.gz GBOXIMPPMBQEBO-UHFFFAOYSA-N 0 0 417.303 4.193 20 5 HIBDRN O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000147647562 853591944 /nfs/dbraw/zinc/59/19/44/853591944.db2.gz MBYFYAIGIRTPAR-UHFFFAOYSA-N 0 0 417.303 4.193 20 5 HIBDRN Cc1cc(Br)cnc1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159151387 853644974 /nfs/dbraw/zinc/64/49/74/853644974.db2.gz UDMOHIGQAHJWEZ-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN O=C(Nc1ccccc1Br)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000162268661 853646220 /nfs/dbraw/zinc/64/62/20/853646220.db2.gz PCYSWSWJRCQDOU-UHFFFAOYSA-N 0 0 400.026 4.372 20 5 HIBDRN Cc1c(NC(=O)CCN2CCn3cccc3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000164574552 853649178 /nfs/dbraw/zinc/64/91/78/853649178.db2.gz BXXOURWWAXSUOX-HSZRJFAPSA-N 0 0 404.470 4.139 20 5 HIBDRN Cc1c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 ZINC000195536957 853671168 /nfs/dbraw/zinc/67/11/68/853671168.db2.gz OXLNLAXEBSFCAF-UHFFFAOYSA-N 0 0 418.375 4.380 20 5 HIBDRN Cc1nn(Cc2ccccc2)c2sc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc12 ZINC000195610807 853712978 /nfs/dbraw/zinc/71/29/78/853712978.db2.gz ISNAQJKMZFQTTI-UHFFFAOYSA-N 0 0 420.494 4.335 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000195691105 853760596 /nfs/dbraw/zinc/76/05/96/853760596.db2.gz QZASXMWOBFAPSB-UHFFFAOYSA-N 0 0 411.439 4.456 20 5 HIBDRN Cc1sc(NC(=O)c2cn(-c3ccc(C)cc3)nn2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000195704347 853769559 /nfs/dbraw/zinc/76/95/59/853769559.db2.gz CKORLOZEYCHMHR-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN COc1ccc(OC)c(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c1 ZINC000195703971 853769568 /nfs/dbraw/zinc/76/95/68/853769568.db2.gz WGCHYCFDVIDLHH-UHFFFAOYSA-N 0 0 413.455 4.225 20 5 HIBDRN Cc1cc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc([N+](=O)[O-])c1 ZINC000195745283 853791050 /nfs/dbraw/zinc/79/10/50/853791050.db2.gz DMLQDRJEOKQLQM-UHFFFAOYSA-N 0 0 400.438 4.231 20 5 HIBDRN COC(=O)/C=C\c1ccc(N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])c1 ZINC000212881215 853823124 /nfs/dbraw/zinc/82/31/24/853823124.db2.gz KATACLOTLVJYCV-VQEQIULKSA-N 0 0 409.442 4.303 20 5 HIBDRN O=C(OCc1nccn1Cc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000215952545 853840522 /nfs/dbraw/zinc/84/05/22/853840522.db2.gz VGQLNVILWSYJLA-UHFFFAOYSA-N 0 0 420.450 4.320 20 5 HIBDRN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000216805380 853858452 /nfs/dbraw/zinc/85/84/52/853858452.db2.gz DEIQNNURLOPNAA-UHFFFAOYSA-N 0 0 420.450 4.470 20 5 HIBDRN Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2ccc([N+](=O)[O-])o2)C3)cc1 ZINC000217058666 853859368 /nfs/dbraw/zinc/85/93/68/853859368.db2.gz PLMDNHFKABOPTM-UHFFFAOYSA-N 0 0 420.425 4.339 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000216988050 853859405 /nfs/dbraw/zinc/85/94/05/853859405.db2.gz RFWCLIPBFXDLKE-MRXNPFEDSA-N 0 0 414.531 4.167 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000217563523 853862292 /nfs/dbraw/zinc/86/22/92/853862292.db2.gz IYYSWHBSTJACHY-SJPCQFCGSA-N 0 0 406.438 4.160 20 5 HIBDRN Cc1nc(Br)ccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000222999035 853878406 /nfs/dbraw/zinc/87/84/06/853878406.db2.gz WKHQPAKWXWUSEV-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(I)cc1Cl ZINC000223227174 853878672 /nfs/dbraw/zinc/87/86/72/853878672.db2.gz KCMZBJGQIMUBAO-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN CC(C)[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nnc2ccccn21 ZINC000236807268 853925782 /nfs/dbraw/zinc/92/57/82/853925782.db2.gz AZBIBMDBHSLWPR-SFHVURJKSA-N 0 0 408.487 4.248 20 5 HIBDRN CCCNC(=O)c1cccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000236896522 853933986 /nfs/dbraw/zinc/93/39/86/853933986.db2.gz QJYFCINKAGCZQV-UHFFFAOYSA-N 0 0 410.499 4.148 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000437272568 862515170 /nfs/dbraw/zinc/51/51/70/862515170.db2.gz WPGDHPSNVUECSR-KRWDZBQOSA-N 0 0 407.392 4.355 20 5 HIBDRN C[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000237406462 854025725 /nfs/dbraw/zinc/02/57/25/854025725.db2.gz DJNQDLKFHSFVIQ-CQSZACIVSA-N 0 0 407.405 4.420 20 5 HIBDRN COc1ccc(-c2ccc(CNCc3cn4cc(Cl)ccc4n3)o2)c([N+](=O)[O-])c1 ZINC000237422126 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HIBDRN CCOc1cc(Oc2ccc(C)nc2I)ccc1[N+](=O)[O-] ZINC000301971939 854507131 /nfs/dbraw/zinc/50/71/31/854507131.db2.gz GZDQCJZTVSQKJX-UHFFFAOYSA-N 0 0 400.172 4.094 20 5 HIBDRN Cc1cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301989480 854511332 /nfs/dbraw/zinc/51/13/32/854511332.db2.gz FDBKTAYSTQGILF-UHFFFAOYSA-N 0 0 400.479 4.287 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3nc4ccccc4s3)CC2)cc1OC(F)F ZINC000301994290 854512184 /nfs/dbraw/zinc/51/21/84/854512184.db2.gz ZZJIFMQEGDJVAW-UHFFFAOYSA-N 0 0 420.441 4.128 20 5 HIBDRN Cc1cc(N2CCC(NC(=O)NC3CCCCC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301998833 854513004 /nfs/dbraw/zinc/51/30/04/854513004.db2.gz IJFXJKUQUZUOTF-UHFFFAOYSA-N 0 0 411.506 4.052 20 5 HIBDRN Cc1cc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c2cccc([N+](=O)[O-])c2n1 ZINC000302001319 854513762 /nfs/dbraw/zinc/51/37/62/854513762.db2.gz JEPDSLGEZWNDHA-HZPDHXFCSA-N 0 0 407.474 4.072 20 5 HIBDRN O=[N+]([O-])c1ccc(N(Cc2ccccn2)Cc2ccc(Br)cc2F)nc1 ZINC000302009591 854515245 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423.469 4.072 20 5 HIBDRN CCCCc1nnc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000302683235 854602916 /nfs/dbraw/zinc/60/29/16/854602916.db2.gz CCJWQAMNMHBZDJ-UHFFFAOYSA-N 0 0 417.413 4.248 20 5 HIBDRN CCc1n[nH]c(C2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000302698432 854606999 /nfs/dbraw/zinc/60/69/99/854606999.db2.gz HEZXQEDVCYLWRJ-UHFFFAOYSA-N 0 0 403.792 4.332 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000302701311 854608283 /nfs/dbraw/zinc/60/82/83/854608283.db2.gz VAQDOQCPQSDJKM-UHFFFAOYSA-N 0 0 402.882 4.072 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000302745848 854619671 /nfs/dbraw/zinc/61/96/71/854619671.db2.gz FWTLZZYKDSYMQZ-ZDUSSCGKSA-N 0 0 410.337 4.298 20 5 HIBDRN Cc1cc(Oc2ccc(Oc3ncc(Br)cn3)cc2)ncc1[N+](=O)[O-] ZINC000302780673 854632497 /nfs/dbraw/zinc/63/24/97/854632497.db2.gz RNBNXNASWQZTTM-UHFFFAOYSA-N 0 0 403.192 4.435 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(C)Cc2c3ccccc3oc2CC)cc([N+](=O)[O-])c1 ZINC000302790732 854633701 /nfs/dbraw/zinc/63/37/01/854633701.db2.gz DPIDXXKNBWXZTK-UHFFFAOYSA-N 0 0 410.426 4.352 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000302843351 854652799 /nfs/dbraw/zinc/65/27/99/854652799.db2.gz JFBKSWGTNKYRQX-MRXNPFEDSA-N 0 0 416.499 4.348 20 5 HIBDRN Cc1c(NC(=O)C(=O)Nc2cccc(COc3cccc(F)c3)c2)cccc1[N+](=O)[O-] ZINC000437321841 862588785 /nfs/dbraw/zinc/58/87/85/862588785.db2.gz HJHUBJCJCGPBMT-UHFFFAOYSA-N 0 0 423.400 4.199 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000302893711 854668712 /nfs/dbraw/zinc/66/87/12/854668712.db2.gz KAXRQSNUCPUSCS-MRXNPFEDSA-N 0 0 400.500 4.283 20 5 HIBDRN CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC000302921489 854680379 /nfs/dbraw/zinc/68/03/79/854680379.db2.gz NBSIWEWBLFQPDP-QGZVFWFLSA-N 0 0 424.482 4.233 20 5 HIBDRN COc1cc(Br)ccc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000303051951 854739066 /nfs/dbraw/zinc/73/90/66/854739066.db2.gz VPFYSIULWMTWPW-UHFFFAOYSA-N 0 0 407.264 4.417 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cccc1[N+](=O)[O-] ZINC000303122122 854771101 /nfs/dbraw/zinc/77/11/01/854771101.db2.gz NHZBFTRNNSWDFZ-HNNXBMFYSA-N 0 0 410.405 4.112 20 5 HIBDRN CN(CCc1cccc2ccccc21)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303135175 854777797 /nfs/dbraw/zinc/77/77/97/854777797.db2.gz PBAXALMXZKEKNU-UHFFFAOYSA-N 0 0 404.875 4.265 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](Nc2ccccc2)C(C)C)cc1SC ZINC000303161421 854793171 /nfs/dbraw/zinc/79/31/71/854793171.db2.gz HCNXMXIAANOAKP-INIZCTEOSA-N 0 0 403.504 4.192 20 5 HIBDRN Cc1csc(Sc2ccc(NC(=O)CCn3cc([N+](=O)[O-])nc3C)c(C)c2)n1 ZINC000303184409 854806133 /nfs/dbraw/zinc/80/61/33/854806133.db2.gz UCXMXCFRSDVXLZ-UHFFFAOYSA-N 0 0 417.516 4.353 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303226514 854825771 /nfs/dbraw/zinc/82/57/71/854825771.db2.gz WLZDAOGVHSXRTH-HUUCEWRRSA-N 0 0 420.296 4.354 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O ZINC000303230798 854827514 /nfs/dbraw/zinc/82/75/14/854827514.db2.gz VLIAIJOPAMQHKC-JOCHJYFZSA-N 0 0 423.425 4.095 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000303249988 854835309 /nfs/dbraw/zinc/83/53/09/854835309.db2.gz MVFNUXJELWYHES-MRXNPFEDSA-N 0 0 412.446 4.368 20 5 HIBDRN C[C@@H](Sc1nccn1Cc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000303451424 854950551 /nfs/dbraw/zinc/95/05/51/854950551.db2.gz CTHVVGZHWINIQQ-GFCCVEGCSA-N 0 0 417.878 4.007 20 5 HIBDRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000303475765 854971890 /nfs/dbraw/zinc/97/18/90/854971890.db2.gz NSYZBBSNHCOGNU-LBPRGKRZSA-N 0 0 414.270 4.206 20 5 HIBDRN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccc2ccccc21 ZINC000303483678 854976359 /nfs/dbraw/zinc/97/63/59/854976359.db2.gz OYHQASDRJMOWDN-KBXCAEBGSA-N 0 0 423.494 4.292 20 5 HIBDRN O=C(NCC1(c2cccc(Br)c2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000303657538 855111732 /nfs/dbraw/zinc/11/17/32/855111732.db2.gz VSKQHPODXTZVCU-UHFFFAOYSA-N 0 0 409.667 4.472 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c1 ZINC000303666073 855117579 /nfs/dbraw/zinc/11/75/79/855117579.db2.gz NZZDTGUFLMCXAE-GDLZYMKVSA-N 0 0 416.499 4.437 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000303687383 855133424 /nfs/dbraw/zinc/13/34/24/855133424.db2.gz LSTPFEGZGBCCTF-ZDUSSCGKSA-N 0 0 421.856 4.258 20 5 HIBDRN COc1ccc(CSCC(=O)NCC(C)(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000303729808 855156763 /nfs/dbraw/zinc/15/67/63/855156763.db2.gz YWBKAYMYHWQIFS-UHFFFAOYSA-N 0 0 402.516 4.222 20 5 HIBDRN CCCC[C@@H](COC)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000303783629 855197002 /nfs/dbraw/zinc/19/70/02/855197002.db2.gz OVSLFMGIAJHWAG-AWEZNQCLSA-N 0 0 409.533 4.446 20 5 HIBDRN CC(C)CNC(=O)c1cccc(COc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000303845915 855243199 /nfs/dbraw/zinc/24/31/99/855243199.db2.gz CNYVALRWGJBZQN-UHFFFAOYSA-N 0 0 407.264 4.322 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000303859513 855254501 /nfs/dbraw/zinc/25/45/01/855254501.db2.gz GFWJKWCNTNBRTN-KBXCAEBGSA-N 0 0 402.422 4.037 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000303981994 855336026 /nfs/dbraw/zinc/33/60/26/855336026.db2.gz GXWVRJRYTDVUEG-IBGZPJMESA-N 0 0 403.429 4.091 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000304013688 855340249 /nfs/dbraw/zinc/34/02/49/855340249.db2.gz LJFGBHONBRTIMO-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN Cc1ccc(I)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000313770547 855374217 /nfs/dbraw/zinc/37/42/17/855374217.db2.gz BHJCPLGGQQQDHK-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(I)ccc2Cl)c1 ZINC000314119231 855374912 /nfs/dbraw/zinc/37/49/12/855374912.db2.gz GPIDHBMLJJVKNU-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1ccc(Br)c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000317334016 855382074 /nfs/dbraw/zinc/38/20/74/855382074.db2.gz FCTOXYXGNFMKQT-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN O=C(Nc1ccc2nccnc2c1Br)c1c(Cl)cccc1[N+](=O)[O-] ZINC000326664770 855412209 /nfs/dbraw/zinc/41/22/09/855412209.db2.gz IOBDCDOHDYUGDM-UHFFFAOYSA-N 0 0 407.611 4.206 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000437375142 862678406 /nfs/dbraw/zinc/67/84/06/862678406.db2.gz ILNBQOKHJXSTFW-DZGCQCFKSA-N 0 0 414.767 4.475 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nnc(C(F)F)s1 ZINC000409453912 855486198 /nfs/dbraw/zinc/48/61/98/855486198.db2.gz AFHUQWWGBZIMLG-UHFFFAOYSA-N 0 0 414.337 4.134 20 5 HIBDRN COc1ccc(CNC(=O)C(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000409484046 855504084 /nfs/dbraw/zinc/50/40/84/855504084.db2.gz KKUFZEYZHZAVAC-UHFFFAOYSA-N 0 0 404.466 4.321 20 5 HIBDRN COc1ccc(Oc2cc(CNC(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccn2)cc1 ZINC000409496972 855509877 /nfs/dbraw/zinc/50/98/77/855509877.db2.gz BGNIEXOSCRCYKM-UHFFFAOYSA-N 0 0 424.413 4.121 20 5 HIBDRN Cc1csc(-c2cccc(S(=O)(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)n1 ZINC000409500919 855511403 /nfs/dbraw/zinc/51/14/03/855511403.db2.gz LHONTRJBPYTDCO-AWEZNQCLSA-N 0 0 417.512 4.375 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000409546442 855535579 /nfs/dbraw/zinc/53/55/79/855535579.db2.gz DPCBEFPXAPVTBQ-KNBMTAEXSA-N 0 0 400.500 4.360 20 5 HIBDRN O=C(NCC1(Cc2ccc(F)cc2)CC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000409550506 855537694 /nfs/dbraw/zinc/53/76/94/855537694.db2.gz FZYOCMDIHPMYSF-UHFFFAOYSA-N 0 0 413.268 4.311 20 5 HIBDRN CC1(C)Cc2nc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)sc2C(=O)C1 ZINC000409551858 855538438 /nfs/dbraw/zinc/53/84/38/855538438.db2.gz IXHABKRXVUBYQK-UHFFFAOYSA-N 0 0 402.476 4.037 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](c1ccccc1)C1CCCC1 ZINC000409642738 855578732 /nfs/dbraw/zinc/57/87/32/855578732.db2.gz CDGNGVWAQMSOMQ-JOCHJYFZSA-N 0 0 423.469 4.331 20 5 HIBDRN Cn1c2ccc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2nc1C(F)F ZINC000409714979 855617111 /nfs/dbraw/zinc/61/71/11/855617111.db2.gz YCKVRDPIMVGLLD-UHFFFAOYSA-N 0 0 402.401 4.172 20 5 HIBDRN C[C@@H]1CN(c2ccccc2NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000437384755 862702165 /nfs/dbraw/zinc/70/21/65/862702165.db2.gz MBMGGGDSWMNRTG-CALCHBBNSA-N 0 0 424.501 4.405 20 5 HIBDRN O=C(NCCOc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000409752356 855635957 /nfs/dbraw/zinc/63/59/57/855635957.db2.gz IHBFSSABUIDSAF-UHFFFAOYSA-N 0 0 403.744 4.468 20 5 HIBDRN COc1ccc([C@H]2C[C@H](NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C2)cc1F ZINC000409781421 855650672 /nfs/dbraw/zinc/65/06/72/855650672.db2.gz DRYGUTWAJXKYIN-HDJSIYSDSA-N 0 0 407.829 4.141 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000409794389 855656983 /nfs/dbraw/zinc/65/69/83/855656983.db2.gz VJQBPESIYNGOOD-KSSFIOAISA-N 0 0 421.400 4.486 20 5 HIBDRN O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)NCc1ccccc1[N+](=O)[O-] ZINC000409812253 855667136 /nfs/dbraw/zinc/66/71/36/855667136.db2.gz NNJFTTAEKUULLA-UHFFFAOYSA-N 0 0 409.389 4.472 20 5 HIBDRN O=C([C@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000409815361 855669310 /nfs/dbraw/zinc/66/93/10/855669310.db2.gz BDFJZXFETIGJRL-ROUUACIJSA-N 0 0 420.296 4.354 20 5 HIBDRN COCCN(Cc1ccc(F)cc1Cl)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000409959942 855746325 /nfs/dbraw/zinc/74/63/25/855746325.db2.gz MVZCMJWKXARXEH-UHFFFAOYSA-N 0 0 419.840 4.017 20 5 HIBDRN Cc1nnc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])n1[C@H]1CCC[C@@H](C)C1 ZINC000410029451 855786718 /nfs/dbraw/zinc/78/67/18/855786718.db2.gz ZQJRZOQEYCOZJS-HIFRSBDPSA-N 0 0 403.508 4.367 20 5 HIBDRN CC(C)COc1ccc(C(C)(C)NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000410038551 855791271 /nfs/dbraw/zinc/79/12/71/855791271.db2.gz OFWPIUDBMFGJQV-UHFFFAOYSA-N 0 0 400.475 4.450 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c1 ZINC000410040341 855792328 /nfs/dbraw/zinc/79/23/28/855792328.db2.gz GIJXLHIHXFHLSP-UHFFFAOYSA-N 0 0 421.240 4.407 20 5 HIBDRN CC1(c2ccccc2)CC(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000410084314 855812349 /nfs/dbraw/zinc/81/23/49/855812349.db2.gz ROGSALSHAFNHSC-UHFFFAOYSA-N 0 0 408.376 4.386 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cncnc2)cn1 ZINC000410164228 855845755 /nfs/dbraw/zinc/84/57/55/855845755.db2.gz YXWOVRFYPBMETI-UHFFFAOYSA-N 0 0 409.471 4.447 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000410212758 855864277 /nfs/dbraw/zinc/86/42/77/855864277.db2.gz ZMOAYHZBJADONZ-CYBMUJFWSA-N 0 0 414.849 4.363 20 5 HIBDRN O=C(Nc1ccc(N2CCC2=O)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000410260965 855887783 /nfs/dbraw/zinc/88/77/83/855887783.db2.gz NUGHCGKONQYBOH-UHFFFAOYSA-N 0 0 403.394 4.376 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000410267728 855891770 /nfs/dbraw/zinc/89/17/70/855891770.db2.gz SAANCTMFEAEMIS-JKSUJKDBSA-N 0 0 414.531 4.014 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(N2CCc3ccccc32)CC1 ZINC000410269963 855892826 /nfs/dbraw/zinc/89/28/26/855892826.db2.gz FZMNPVZAVJZJEK-INIZCTEOSA-N 0 0 411.527 4.129 20 5 HIBDRN CSc1ccc(C(=O)N[C@H]2CCOc3c(Br)cccc32)cc1[N+](=O)[O-] ZINC000410274185 855895294 /nfs/dbraw/zinc/89/52/94/855895294.db2.gz YKZRTNXOLSNYSN-ZDUSSCGKSA-N 0 0 423.288 4.333 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCOc2c(Br)cccc21 ZINC000410290025 855906911 /nfs/dbraw/zinc/90/69/11/855906911.db2.gz PYSMZTNBVXZHOC-ZDUSSCGKSA-N 0 0 423.288 4.089 20 5 HIBDRN CCCn1nccc1C1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000410294173 855910542 /nfs/dbraw/zinc/91/05/42/855910542.db2.gz YORKJCBEIKFTJM-UHFFFAOYSA-N 0 0 420.897 4.030 20 5 HIBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCC(N2CCc3ccccc32)CC1 ZINC000410299237 855914683 /nfs/dbraw/zinc/91/46/83/855914683.db2.gz GIZSRCGVPUWKHW-UHFFFAOYSA-N 0 0 419.403 4.281 20 5 HIBDRN CCOc1cc(C(=O)N[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000410372136 855957784 /nfs/dbraw/zinc/95/77/84/855957784.db2.gz UPHLLLMYTSVJDV-FKIZINRSSA-N 0 0 404.850 4.321 20 5 HIBDRN CCOc1cc(C(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000410372140 855957943 /nfs/dbraw/zinc/95/79/43/855957943.db2.gz UPHLLLMYTSVJDV-ODXCJYRJSA-N 0 0 404.850 4.321 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000410393148 855970844 /nfs/dbraw/zinc/97/08/44/855970844.db2.gz UKINCXOZVAIQAM-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC(c2ccc(Br)cc2)CC1 ZINC000410401580 855975920 /nfs/dbraw/zinc/97/59/20/855975920.db2.gz MYHFCNXROATRKZ-UHFFFAOYSA-N 0 0 421.266 4.445 20 5 HIBDRN COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000410419141 855988371 /nfs/dbraw/zinc/98/83/71/855988371.db2.gz GDAGOXPXYASILH-UHFFFAOYSA-N 0 0 413.474 4.409 20 5 HIBDRN O=C(Nc1ccc(-n2ccnn2)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000425941422 856011399 /nfs/dbraw/zinc/01/13/99/856011399.db2.gz ZJFITWBJABFARF-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN COc1cc(OC)c(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1Br ZINC000426092426 856102590 /nfs/dbraw/zinc/10/25/90/856102590.db2.gz QUJTWRPIFUCBCR-UHFFFAOYSA-N 0 0 414.187 4.158 20 5 HIBDRN O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426094717 856104236 /nfs/dbraw/zinc/10/42/36/856104236.db2.gz WAMWRWJXOAZMPH-UHFFFAOYSA-N 0 0 416.393 4.075 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC000426100586 856107955 /nfs/dbraw/zinc/10/79/55/856107955.db2.gz FOMYWVGHLMPCPZ-UHFFFAOYSA-N 0 0 417.878 4.418 20 5 HIBDRN Cc1cc(SC2CCCCC2)ccc1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000426111253 856115172 /nfs/dbraw/zinc/11/51/72/856115172.db2.gz OHVVZYCMHOMMEZ-UHFFFAOYSA-N 0 0 403.508 4.346 20 5 HIBDRN C[C@H]1C[C@@H](CO)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000426149477 856140137 /nfs/dbraw/zinc/14/01/37/856140137.db2.gz NEIZFOAWGUUQBL-KBPBESRZSA-N 0 0 404.850 4.274 20 5 HIBDRN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426183806 856161236 /nfs/dbraw/zinc/16/12/36/856161236.db2.gz QMCMFCWOAZALSE-JKSUJKDBSA-N 0 0 403.401 4.007 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(-c4cn(C)nc4C(C)C)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000426195185 856169335 /nfs/dbraw/zinc/16/93/35/856169335.db2.gz DXGJGMFOWFDXOH-UHFFFAOYSA-N 0 0 421.461 4.030 20 5 HIBDRN Cc1cc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1-c1ccccc1 ZINC000426205442 856174418 /nfs/dbraw/zinc/17/44/18/856174418.db2.gz WTZFIIHQUHHALK-UHFFFAOYSA-N 0 0 419.485 4.313 20 5 HIBDRN O=C(Nc1cccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1)C1CCCCC1 ZINC000426205342 856174996 /nfs/dbraw/zinc/17/49/96/856174996.db2.gz LMSHDCIGUWVPCI-NRFANRHFSA-N 0 0 422.485 4.331 20 5 HIBDRN CC(C)C[C@@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000426256752 856205443 /nfs/dbraw/zinc/20/54/43/856205443.db2.gz TZVICXMJNXACDD-GDBMZVCRSA-N 0 0 403.401 4.007 20 5 HIBDRN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426259976 856207114 /nfs/dbraw/zinc/20/71/14/856207114.db2.gz CJLHOEXREOLMBL-SJCJKPOMSA-N 0 0 408.380 4.301 20 5 HIBDRN O=C(NCc1ccccc1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426315643 856241196 /nfs/dbraw/zinc/24/11/96/856241196.db2.gz WWWHFKYRAALGQF-UHFFFAOYSA-N 0 0 404.264 4.232 20 5 HIBDRN Cc1nc2c(s1)CCC[C@H]2C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000426324471 856246493 /nfs/dbraw/zinc/24/64/93/856246493.db2.gz QPGVMWBWZHXANY-CYBMUJFWSA-N 0 0 413.421 4.371 20 5 HIBDRN CC(C)(C)Oc1ccc(-c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)nc1 ZINC000426560904 856350087 /nfs/dbraw/zinc/35/00/87/856350087.db2.gz SEPIIQMHAGWBQU-UHFFFAOYSA-N 0 0 407.386 4.138 20 5 HIBDRN Cc1cnc(OCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000426608761 856371460 /nfs/dbraw/zinc/37/14/60/856371460.db2.gz VBINCVBPQIBCAI-FQEVSTJZSA-N 0 0 411.845 4.236 20 5 HIBDRN C[C@H](CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426641869 856389592 /nfs/dbraw/zinc/38/95/92/856389592.db2.gz CIDVTWURFMNTTR-MRXNPFEDSA-N 0 0 408.458 4.038 20 5 HIBDRN O=C([O-])[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Oc1ccc(F)cc1 ZINC000426655289 856395822 /nfs/dbraw/zinc/39/58/22/856395822.db2.gz RDBXXRRRDPLGKH-SFHVURJKSA-N 0 0 416.430 4.084 20 5 HIBDRN C[C@H](CCCC(=O)[O-])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000426653870 856395982 /nfs/dbraw/zinc/39/59/82/856395982.db2.gz GKNVTDOYHBCYIU-LLVKDONJSA-N 0 0 411.252 4.350 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000426725125 856437111 /nfs/dbraw/zinc/43/71/11/856437111.db2.gz XZLMBQAJCZQEQZ-JOCHJYFZSA-N 0 0 423.469 4.183 20 5 HIBDRN Cc1ccc(COc2ccc(C[NH2+][C@@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)[O-])cc2)cc1 ZINC000426766297 856466574 /nfs/dbraw/zinc/46/65/74/856466574.db2.gz ZDVXKJRKAWXPFR-QHCPKHFHSA-N 0 0 420.465 4.268 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC(c3noc4cc(F)ccc43)CC2)cc1[N+](=O)[O-] ZINC000426772349 856469060 /nfs/dbraw/zinc/46/90/60/856469060.db2.gz CYUPQEDIMLGENC-UHFFFAOYSA-N 0 0 413.405 4.294 20 5 HIBDRN CC(C)(C)[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426771842 856469298 /nfs/dbraw/zinc/46/92/98/856469298.db2.gz BBSWPIAMQVHWLQ-HXUWFJFHSA-N 0 0 408.458 4.036 20 5 HIBDRN CC(C)(C)[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426778819 856473538 /nfs/dbraw/zinc/47/35/38/856473538.db2.gz BBSWPIAMQVHWLQ-FQEVSTJZSA-N 0 0 408.458 4.036 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000437426410 862802170 /nfs/dbraw/zinc/80/21/70/862802170.db2.gz KNSBVGDYSBVADM-JOCQHMNTSA-N 0 0 407.239 4.101 20 5 HIBDRN COc1cccc(C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C(=O)[O-])c1 ZINC000426809215 856490231 /nfs/dbraw/zinc/49/02/31/856490231.db2.gz UFOPJBSJAOBTRG-SFHVURJKSA-N 0 0 412.467 4.117 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426826503 856501210 /nfs/dbraw/zinc/50/12/10/856501210.db2.gz PCOZNZWVYZPQST-HXUWFJFHSA-N 0 0 423.400 4.261 20 5 HIBDRN Cc1c(NC(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000437433671 862806368 /nfs/dbraw/zinc/80/63/68/862806368.db2.gz RVXMMAHMDODVTD-IIBYNOLFSA-N 0 0 413.474 4.350 20 5 HIBDRN CCOc1cc(N2CCC(Nc3cc(OC)cc(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC000426897206 856531574 /nfs/dbraw/zinc/53/15/74/856531574.db2.gz ZKJBVFLVWRJCCR-UHFFFAOYSA-N 0 0 401.463 4.092 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000426966893 856567906 /nfs/dbraw/zinc/56/79/06/856567906.db2.gz XKFNAWAFYFAZGS-UHFFFAOYSA-N 0 0 407.474 4.099 20 5 HIBDRN Cc1cnc([C@H](C)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 ZINC000427081067 856625908 /nfs/dbraw/zinc/62/59/08/856625908.db2.gz PUQLPSIGRKKNFP-KBPBESRZSA-N 0 0 411.487 4.419 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437453171 862818296 /nfs/dbraw/zinc/81/82/96/862818296.db2.gz MTIBCZBRHXMHHN-KKSFZXQISA-N 0 0 413.474 4.350 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)C[C@@H](C)O1 ZINC000437460885 862823792 /nfs/dbraw/zinc/82/37/92/862823792.db2.gz SISUTQZFJXSSIK-QZTJIDSGSA-N 0 0 423.513 4.009 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC(C)C ZINC000427259925 856741207 /nfs/dbraw/zinc/74/12/07/856741207.db2.gz YVGGYPLTDPKNFO-UHFFFAOYSA-N 0 0 413.474 4.066 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000437468319 862830976 /nfs/dbraw/zinc/83/09/76/862830976.db2.gz OMVOUTGMOKDDLK-UWJYYQICSA-N 0 0 402.878 4.383 20 5 HIBDRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000427286622 856752364 /nfs/dbraw/zinc/75/23/64/856752364.db2.gz BBWAFRAXWNXJBW-WJXXOHKWSA-N 0 0 415.515 4.148 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2[C@H](C)c2cc(Cl)ccc2Cl)n1 ZINC000427371082 856798466 /nfs/dbraw/zinc/79/84/66/856798466.db2.gz YJQXOFNUIKZCLV-SNVBAGLBSA-N 0 0 423.260 4.176 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2cccc(Br)c2n1 ZINC000427406122 856809047 /nfs/dbraw/zinc/80/90/47/856809047.db2.gz SJCYJAVYEBVNIS-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)cccc1[N+](=O)[O-] ZINC000427428428 856815799 /nfs/dbraw/zinc/81/57/99/856815799.db2.gz NQTSVRAMWBIXIR-NRFANRHFSA-N 0 0 415.449 4.312 20 5 HIBDRN Nc1c(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc(F)cc1[N+](=O)[O-] ZINC000427436260 856819026 /nfs/dbraw/zinc/81/90/26/856819026.db2.gz QIZHUVWFGUVWEF-UHFFFAOYSA-N 0 0 400.410 4.087 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000437482903 862840926 /nfs/dbraw/zinc/84/09/26/862840926.db2.gz FBTOGYJAIXQXOE-KSFYIVLOSA-N 0 0 421.453 4.055 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000427467168 856834014 /nfs/dbraw/zinc/83/40/14/856834014.db2.gz ZVXKGGDWGUJYAZ-UHFFFAOYSA-N 0 0 417.487 4.242 20 5 HIBDRN O=C(CC1CCCCCC1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000427471445 856834763 /nfs/dbraw/zinc/83/47/63/856834763.db2.gz YOSCZQLIZPBWRA-UHFFFAOYSA-N 0 0 423.516 4.183 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)n1 ZINC000427471299 856835030 /nfs/dbraw/zinc/83/50/30/856835030.db2.gz XVOGWQABTHGFGZ-UHFFFAOYSA-N 0 0 403.489 4.288 20 5 HIBDRN O=C(N[C@@H]1CCc2[nH]cnc2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000427505634 856844252 /nfs/dbraw/zinc/84/42/52/856844252.db2.gz OGLDEHPCILSYNH-CQSZACIVSA-N 0 0 412.833 4.051 20 5 HIBDRN O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427577655 856874723 /nfs/dbraw/zinc/87/47/23/856874723.db2.gz BXJBKWARYOEWCA-UHFFFAOYSA-N 0 0 420.469 4.144 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3ccco3)cc2F)cc1[N+](=O)[O-] ZINC000427580670 856875590 /nfs/dbraw/zinc/87/55/90/856875590.db2.gz QAAJMRTVMRGLDL-ZDUSSCGKSA-N 0 0 411.389 4.118 20 5 HIBDRN COc1ccc(Cl)cc1NCCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427592862 856880969 /nfs/dbraw/zinc/88/09/69/856880969.db2.gz HSRHYCASDBGFNM-UHFFFAOYSA-N 0 0 403.866 4.250 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C ZINC000427595488 856881867 /nfs/dbraw/zinc/88/18/67/856881867.db2.gz VQZDQJYBHDFMIN-HNNXBMFYSA-N 0 0 411.458 4.179 20 5 HIBDRN CC(C)NC(=O)Nc1cccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000427600918 856883993 /nfs/dbraw/zinc/88/39/93/856883993.db2.gz IXNCWTPEERWPOB-UHFFFAOYSA-N 0 0 424.379 4.074 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)n1 ZINC000427601128 856884334 /nfs/dbraw/zinc/88/43/34/856884334.db2.gz JWYSDKAZXHQONQ-AWEZNQCLSA-N 0 0 413.503 4.385 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)CCCC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000427724735 856923656 /nfs/dbraw/zinc/92/36/56/856923656.db2.gz AQWIFKDCIPTNJU-QMMMGPOBSA-N 0 0 400.300 4.056 20 5 HIBDRN Cc1nnc(N(C)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)s1 ZINC000427725186 856924171 /nfs/dbraw/zinc/92/41/71/856924171.db2.gz FSKPKTYCJVICPP-UHFFFAOYSA-N 0 0 404.835 4.477 20 5 HIBDRN CN(Cc1cc(Br)ccc1Cl)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000427800552 856961017 /nfs/dbraw/zinc/96/10/17/856961017.db2.gz SJTGBNQMPGRWRT-UHFFFAOYSA-N 0 0 423.654 4.159 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000427801876 856961368 /nfs/dbraw/zinc/96/13/68/856961368.db2.gz JRYPNJMMRZAENK-UHFFFAOYSA-N 0 0 414.405 4.108 20 5 HIBDRN O=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000427806041 856963576 /nfs/dbraw/zinc/96/35/76/856963576.db2.gz JPPIKIXBTGLYCT-UHFFFAOYSA-N 0 0 405.234 4.377 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000427810593 856965247 /nfs/dbraw/zinc/96/52/47/856965247.db2.gz GDQHPQBOYRQIHZ-UHFFFAOYSA-N 0 0 415.409 4.308 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(-c2ccncc2)c(C)c1 ZINC000427836561 856975295 /nfs/dbraw/zinc/97/52/95/856975295.db2.gz CZGRAINAPZXALH-OAHLLOKOSA-N 0 0 406.442 4.413 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000427846513 856978486 /nfs/dbraw/zinc/97/84/86/856978486.db2.gz AASZWTMGUKSWID-UHFFFAOYSA-N 0 0 424.482 4.142 20 5 HIBDRN Cc1ccc([C@@H](C)NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000427870897 856988205 /nfs/dbraw/zinc/98/82/05/856988205.db2.gz ZDQMHJBQHHKEKN-LLVKDONJSA-N 0 0 403.287 4.391 20 5 HIBDRN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(C(F)(F)F)cc1 ZINC000427892878 856995759 /nfs/dbraw/zinc/99/57/59/856995759.db2.gz DWIUKMDEENPEEW-LBPRGKRZSA-N 0 0 419.359 4.418 20 5 HIBDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000427900670 856999283 /nfs/dbraw/zinc/99/92/83/856999283.db2.gz ILVCMRUDDRTDPB-DZGCQCFKSA-N 0 0 406.426 4.330 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[C@@](O)(C2CC2)C1 ZINC000428185592 857103665 /nfs/dbraw/zinc/10/36/65/857103665.db2.gz RTPKQQFYCHIBBJ-FQEVSTJZSA-N 0 0 402.834 4.028 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3cccc(F)c3-c3nc[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000428205035 857110069 /nfs/dbraw/zinc/11/00/69/857110069.db2.gz JWERMHXEKKEXJG-UHFFFAOYSA-N 0 0 424.436 4.008 20 5 HIBDRN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@H]1c1ccccc1 ZINC000437574647 862893645 /nfs/dbraw/zinc/89/36/45/862893645.db2.gz DESHEZAUCLKUDA-KUHUBIRLSA-N 0 0 408.483 4.492 20 5 HIBDRN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCC[C@@H]1CCO ZINC000428633712 857283913 /nfs/dbraw/zinc/28/39/13/857283913.db2.gz XCMAMHIVPTUIMZ-CQSZACIVSA-N 0 0 406.891 4.386 20 5 HIBDRN CC[C@@]1(O)CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)C1 ZINC000428728645 857312001 /nfs/dbraw/zinc/31/20/01/857312001.db2.gz FWSGDSTWMSAUDH-HXUWFJFHSA-N 0 0 420.849 4.036 20 5 HIBDRN CC[C@@H](NC(=O)Nc1cccc(Cn2nc(C)nc2C)c1)c1cccc([N+](=O)[O-])c1 ZINC000428809482 857354283 /nfs/dbraw/zinc/35/42/83/857354283.db2.gz QDCOPZSGCQEFFK-HXUWFJFHSA-N 0 0 408.462 4.124 20 5 HIBDRN O=C(NCC1(CCO)CC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000428818924 857360396 /nfs/dbraw/zinc/36/03/96/857360396.db2.gz GCIBOZMQTAPLLG-UHFFFAOYSA-N 0 0 406.891 4.292 20 5 HIBDRN Nc1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000428875494 857382140 /nfs/dbraw/zinc/38/21/40/857382140.db2.gz GCRYSMHNZJVIEL-ZDUSSCGKSA-N 0 0 405.838 4.031 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000428884821 857388484 /nfs/dbraw/zinc/38/84/84/857388484.db2.gz YPPUFGBMUXFLFX-OAHLLOKOSA-N 0 0 419.865 4.247 20 5 HIBDRN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428932140 857423666 /nfs/dbraw/zinc/42/36/66/857423666.db2.gz IWEWMXZJVKZKRN-KZULUSFZSA-N 0 0 420.391 4.452 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(Br)c2F)c2cc([N+](=O)[O-])ccc2n1 ZINC000429091240 857505535 /nfs/dbraw/zinc/50/55/35/857505535.db2.gz OZVSZXFUQXXVDM-UHFFFAOYSA-N 0 0 404.195 4.027 20 5 HIBDRN CC(C)(NCC(=O)NCc1ccccc1OC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000429229077 857564662 /nfs/dbraw/zinc/56/46/62/857564662.db2.gz GDLOAYMFXFZBLX-UHFFFAOYSA-N 0 0 411.502 4.057 20 5 HIBDRN C[C@H]1CC[C@H](N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000429230738 857565390 /nfs/dbraw/zinc/56/53/90/857565390.db2.gz MHMJCLNIYMKKTQ-BBRMVZONSA-N 0 0 413.440 4.477 20 5 HIBDRN COC[C@@H](C)Nc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000437616170 862931698 /nfs/dbraw/zinc/93/16/98/862931698.db2.gz ROSQUYDHEANARA-QGZVFWFLSA-N 0 0 415.493 4.240 20 5 HIBDRN CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000429377837 857631465 /nfs/dbraw/zinc/63/14/65/857631465.db2.gz KSMCBUSCMKKGLK-AWEZNQCLSA-N 0 0 409.389 4.001 20 5 HIBDRN CCN(C[C@H](O)C(F)(F)F)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000429464181 857684190 /nfs/dbraw/zinc/68/41/90/857684190.db2.gz DBKGQSIURAAJQJ-INIZCTEOSA-N 0 0 413.352 4.164 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(=O)OC)c(C2CC2)s1 ZINC000429490364 857693400 /nfs/dbraw/zinc/69/34/00/857693400.db2.gz MOXDQIQTMGFLCJ-UHFFFAOYSA-N 0 0 407.473 4.080 20 5 HIBDRN CCS[C@@H](C)c1noc(CNc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000429779719 857881527 /nfs/dbraw/zinc/88/15/27/857881527.db2.gz BDSWMCRUFIOZJO-VIFPVBQESA-N 0 0 401.286 4.475 20 5 HIBDRN COCCOc1ccc(C(F)(F)F)cc1NCc1ccc([N+](=O)[O-])cc1OC ZINC000429783558 857884199 /nfs/dbraw/zinc/88/41/99/857884199.db2.gz HEVUSINGJYRVPX-UHFFFAOYSA-N 0 0 400.353 4.260 20 5 HIBDRN COc1ccc2cc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])ccc2n1 ZINC000429798389 857888611 /nfs/dbraw/zinc/88/86/11/857888611.db2.gz HKEFUIFTPLSQBU-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN CC(C)COC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000429798688 857888784 /nfs/dbraw/zinc/88/87/84/857888784.db2.gz KLGVIBUIFWCCQT-CQSZACIVSA-N 0 0 411.252 4.094 20 5 HIBDRN O=C(c1ccccc1)C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000429938659 857960032 /nfs/dbraw/zinc/96/00/32/857960032.db2.gz STFQIWFXSLKJGJ-UHFFFAOYSA-N 0 0 417.259 4.092 20 5 HIBDRN CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000430050893 858012966 /nfs/dbraw/zinc/01/29/66/858012966.db2.gz KKSCVJAOYJUQKE-UHFFFAOYSA-N 0 0 420.263 4.138 20 5 HIBDRN COc1cc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000430097607 858030975 /nfs/dbraw/zinc/03/09/75/858030975.db2.gz UYPZTQMPRUHGRK-LSDHHAIUSA-N 0 0 410.339 4.022 20 5 HIBDRN O=C(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc2ccccc2c2cccnc12 ZINC000430136581 858049094 /nfs/dbraw/zinc/04/90/94/858049094.db2.gz WCNDWPXGOVNREC-RDGATRHJSA-N 0 0 400.453 4.423 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000430351514 858130818 /nfs/dbraw/zinc/13/08/18/858130818.db2.gz BRSYKRDUFJVFAZ-UHFFFAOYSA-N 0 0 406.410 4.075 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)ccc1[N+](=O)[O-] ZINC000430398144 858144711 /nfs/dbraw/zinc/14/47/11/858144711.db2.gz ICGBAQBXKALGKK-UHFFFAOYSA-N 0 0 419.437 4.481 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)ccc1[N+](=O)[O-] ZINC000430399027 858145677 /nfs/dbraw/zinc/14/56/77/858145677.db2.gz FFVLTPMCAGJTFP-UHFFFAOYSA-N 0 0 423.400 4.312 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)ccc1[N+](=O)[O-] ZINC000430399504 858145723 /nfs/dbraw/zinc/14/57/23/858145723.db2.gz GZOALPUIUNUAMB-UHFFFAOYSA-N 0 0 418.299 4.124 20 5 HIBDRN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000430406696 858147740 /nfs/dbraw/zinc/14/77/40/858147740.db2.gz MMVDMFAOASHUTP-ZDUSSCGKSA-N 0 0 412.364 4.101 20 5 HIBDRN Cc1cc(OCC(=O)Nc2nnc(-c3ccccc3Cl)s2)ccc1[N+](=O)[O-] ZINC000430408303 858148579 /nfs/dbraw/zinc/14/85/79/858148579.db2.gz PXTZMMYUUOEVJG-UHFFFAOYSA-N 0 0 404.835 4.093 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000430413431 858149390 /nfs/dbraw/zinc/14/93/90/858149390.db2.gz KILNOIODTWIEDE-UHFFFAOYSA-N 0 0 405.410 4.173 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430423128 858154640 /nfs/dbraw/zinc/15/46/40/858154640.db2.gz KDACRQMOXHZEMJ-HDJSIYSDSA-N 0 0 422.254 4.242 20 5 HIBDRN CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2)n1 ZINC000430440607 858165922 /nfs/dbraw/zinc/16/59/22/858165922.db2.gz MGHDGRSAKMCKJU-UHFFFAOYSA-N 0 0 421.457 4.368 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000430494748 858199094 /nfs/dbraw/zinc/19/90/94/858199094.db2.gz WQKXSBNNOXSSJH-UHFFFAOYSA-N 0 0 403.649 4.293 20 5 HIBDRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000430549006 858214305 /nfs/dbraw/zinc/21/43/05/858214305.db2.gz XDKKLUPYRSOJGO-QGZVFWFLSA-N 0 0 424.501 4.199 20 5 HIBDRN O=C(Nc1ccc2nc(C3CC3)oc2c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000430572894 858224296 /nfs/dbraw/zinc/22/42/96/858224296.db2.gz PJQCAFLJQSGLTM-UHFFFAOYSA-N 0 0 406.442 4.469 20 5 HIBDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430592244 858230285 /nfs/dbraw/zinc/23/02/85/858230285.db2.gz PVNFDBGGNHSHNK-UHFFFAOYSA-N 0 0 424.198 4.105 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430628029 858240784 /nfs/dbraw/zinc/24/07/84/858240784.db2.gz NAMOGVZRMHIZEP-GWCFXTLKSA-N 0 0 413.630 4.436 20 5 HIBDRN Cc1cc(OCC(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000430793163 858306931 /nfs/dbraw/zinc/30/69/31/858306931.db2.gz KMIIMOVANDPUFS-KRWDZBQOSA-N 0 0 400.328 4.015 20 5 HIBDRN COCc1nc2cc(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)ccc2o1 ZINC000430803384 858310348 /nfs/dbraw/zinc/31/03/48/858310348.db2.gz SZIBTGPXBMRWNP-AWEZNQCLSA-N 0 0 424.457 4.371 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)ccc1[N+](=O)[O-] ZINC000430833071 858322761 /nfs/dbraw/zinc/32/27/61/858322761.db2.gz LYBDBHFYXHTBDP-SFHVURJKSA-N 0 0 414.849 4.175 20 5 HIBDRN O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430863932 858343114 /nfs/dbraw/zinc/34/31/14/858343114.db2.gz RVTBLKOKQWCDLV-SJLPKXTDSA-N 0 0 419.275 4.225 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430937092 858375569 /nfs/dbraw/zinc/37/55/69/858375569.db2.gz ZBGKRDFMUZPVNF-UTKZUKDTSA-N 0 0 422.485 4.430 20 5 HIBDRN Cc1[nH]c2ccc(CNC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2c1C ZINC000431166656 858482419 /nfs/dbraw/zinc/48/24/19/858482419.db2.gz LDNPNXOKBYXGSU-UHFFFAOYSA-N 0 0 402.248 4.385 20 5 HIBDRN Cc1c(NC(=O)C[C@@H]2OCCc3ccccc32)cc(Br)cc1[N+](=O)[O-] ZINC000431182868 858492039 /nfs/dbraw/zinc/49/20/39/858492039.db2.gz NWDMQSMMBBDBDD-KRWDZBQOSA-N 0 0 405.248 4.308 20 5 HIBDRN COc1cc(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc(OC)c1 ZINC000431182580 858492100 /nfs/dbraw/zinc/49/21/00/858492100.db2.gz OVWBDZKDFYUTBY-UHFFFAOYSA-N 0 0 423.263 4.254 20 5 HIBDRN COc1cccc([C@H]2C[C@H]2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431185145 858494052 /nfs/dbraw/zinc/49/40/52/858494052.db2.gz XGJXTHKQGVWLLI-HUUCEWRRSA-N 0 0 405.248 4.417 20 5 HIBDRN COc1ccc(NC(=O)CNc2c(C)cc(C)cc2Br)c([N+](=O)[O-])c1 ZINC000431206495 858502921 /nfs/dbraw/zinc/50/29/21/858502921.db2.gz DKCNRFYFAQACPN-UHFFFAOYSA-N 0 0 408.252 4.033 20 5 HIBDRN CCc1ccc([C@@H](C)NC(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1 ZINC000431223387 858514954 /nfs/dbraw/zinc/51/49/54/858514954.db2.gz RMEIUHPWXZZYPB-GFCCVEGCSA-N 0 0 407.264 4.176 20 5 HIBDRN O=[N+]([O-])c1cccc(Br)c1OCc1ccc(OCC(F)(F)F)nc1 ZINC000431235157 858521730 /nfs/dbraw/zinc/52/17/30/858521730.db2.gz WOWRWLNDZJGFMO-UHFFFAOYSA-N 0 0 407.142 4.272 20 5 HIBDRN Cc1c(NC(=O)c2cnc([C@@H]3CCCO3)s2)cc(Br)cc1[N+](=O)[O-] ZINC000431245244 858527616 /nfs/dbraw/zinc/52/76/16/858527616.db2.gz DQFFZZNWJHWHGG-LBPRGKRZSA-N 0 0 412.265 4.226 20 5 HIBDRN Cc1c(NC(=O)c2cncn2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000431257365 858535346 /nfs/dbraw/zinc/53/53/46/858535346.db2.gz LBDSEYWWIIACFN-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1cccc2c(CCNC(=O)c3ccc(Br)cc3[N+](=O)[O-])c[nH]c21 ZINC000431332467 858569580 /nfs/dbraw/zinc/56/95/80/858569580.db2.gz LVGGZEKLQAXVRZ-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000431411871 858602079 /nfs/dbraw/zinc/60/20/79/858602079.db2.gz AUKWZRIHLSVVOW-UHFFFAOYSA-N 0 0 407.655 4.381 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000431433575 858612390 /nfs/dbraw/zinc/61/23/90/858612390.db2.gz LAWMTJFMDLUXMP-AWEZNQCLSA-N 0 0 417.771 4.431 20 5 HIBDRN O=C(NCc1coc(-c2cccs2)n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431450390 858622405 /nfs/dbraw/zinc/62/24/05/858622405.db2.gz UDDUCMNIAUYXGA-UHFFFAOYSA-N 0 0 408.233 4.004 20 5 HIBDRN Cc1ccnc(-c2cccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2)n1 ZINC000431458692 858626934 /nfs/dbraw/zinc/62/69/34/858626934.db2.gz RGVPKMZAOGIYFP-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN O=C(Cc1cccc(OCC(F)(F)F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000431498262 858644274 /nfs/dbraw/zinc/64/42/74/858644274.db2.gz ZCCNNXAUMDWNTB-UHFFFAOYSA-N 0 0 408.376 4.270 20 5 HIBDRN Cc1nn(CCC(=O)N2CC[C@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000437727578 863057206 /nfs/dbraw/zinc/05/72/06/863057206.db2.gz YINWZSFGPRFJEW-SGTLLEGYSA-N 0 0 424.423 4.427 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000431840064 858835549 /nfs/dbraw/zinc/83/55/49/858835549.db2.gz JSIPTWYBJFSSMP-GOSISDBHSA-N 0 0 419.275 4.408 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431870783 858848212 /nfs/dbraw/zinc/84/82/12/858848212.db2.gz OGLZNYXHXRWAEZ-UHFFFAOYSA-N 0 0 421.501 4.191 20 5 HIBDRN CCCN1Cc2cccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2C1 ZINC000431922204 858871372 /nfs/dbraw/zinc/87/13/72/858871372.db2.gz ZZGIBVVZVBEENE-UHFFFAOYSA-N 0 0 404.264 4.335 20 5 HIBDRN CS(=O)(=O)c1cccc(NCC[C@@H](c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC000432143499 859013673 /nfs/dbraw/zinc/01/36/73/859013673.db2.gz OIPHOKXAYJXPLX-ZDUSSCGKSA-N 0 0 402.394 4.146 20 5 HIBDRN O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)Nc1ccccc1Sc1ccccc1 ZINC000432241360 859064744 /nfs/dbraw/zinc/06/47/44/859064744.db2.gz OVOYGZCBTCOYKX-UHFFFAOYSA-N 0 0 415.858 4.200 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c1[N+](=O)[O-] ZINC000432270193 859077272 /nfs/dbraw/zinc/07/72/72/859077272.db2.gz KOCKSVWGUUUFLQ-AWEZNQCLSA-N 0 0 414.405 4.457 20 5 HIBDRN CC(C)(C)OC1CC(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000432280882 859082885 /nfs/dbraw/zinc/08/28/85/859082885.db2.gz ASYWZBHQODBZFE-UHFFFAOYSA-N 0 0 400.928 4.440 20 5 HIBDRN O=[N+]([O-])c1cccc2c(N3CCO[C@@H](c4cccc(Br)c4)C3)ccnc21 ZINC000432311603 859098365 /nfs/dbraw/zinc/09/83/65/859098365.db2.gz DNWHFTPJUOUKLO-GOSISDBHSA-N 0 0 414.259 4.483 20 5 HIBDRN O=[N+]([O-])c1cccc2c(NCC3(c4ccc5c(c4)OCO5)CCOCC3)ccnc21 ZINC000432325616 859104128 /nfs/dbraw/zinc/10/41/28/859104128.db2.gz MDMZADYBSMVZEO-UHFFFAOYSA-N 0 0 407.426 4.032 20 5 HIBDRN O=C(NCc1nc(CNc2c(Cl)cccc2[N+](=O)[O-])cs1)c1ccccc1 ZINC000432328766 859106063 /nfs/dbraw/zinc/10/60/63/859106063.db2.gz MGRSNEBSGOAMPV-UHFFFAOYSA-N 0 0 402.863 4.247 20 5 HIBDRN Cc1ccc(CNC(=O)C2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)cc1F ZINC000432330218 859106076 /nfs/dbraw/zinc/10/60/76/859106076.db2.gz YRJDLCXGUOJGRF-UHFFFAOYSA-N 0 0 422.460 4.123 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000432337003 859107767 /nfs/dbraw/zinc/10/77/67/859107767.db2.gz PXKJBITVIWHGAS-UHFFFAOYSA-N 0 0 411.380 4.494 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CC(C)(C)c3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000432343294 859111291 /nfs/dbraw/zinc/11/12/91/859111291.db2.gz UIDOCPAAUYXUQZ-CQSZACIVSA-N 0 0 406.385 4.357 20 5 HIBDRN CC(C)(C(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000432410838 859151152 /nfs/dbraw/zinc/15/11/52/859151152.db2.gz SCMFJWHUJQJVFP-UHFFFAOYSA-N 0 0 401.850 4.291 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000432443015 859166606 /nfs/dbraw/zinc/16/66/06/859166606.db2.gz SOGRBCSVFQWLCD-SAABIXHNSA-N 0 0 413.449 4.233 20 5 HIBDRN O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000432457153 859171692 /nfs/dbraw/zinc/17/16/92/859171692.db2.gz OXVLNRQZTFZKCN-SFHVURJKSA-N 0 0 407.392 4.399 20 5 HIBDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432483546 859186665 /nfs/dbraw/zinc/18/66/65/859186665.db2.gz PRXJADQVIMTYCP-CQSZACIVSA-N 0 0 405.410 4.454 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000432506185 859198376 /nfs/dbraw/zinc/19/83/76/859198376.db2.gz MADIBFLDRWCHJR-UHFFFAOYSA-N 0 0 415.515 4.122 20 5 HIBDRN Cc1c(CC(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cccc1[N+](=O)[O-] ZINC000432577684 859235719 /nfs/dbraw/zinc/23/57/19/859235719.db2.gz HMPHBKAYOMMOAM-QGZVFWFLSA-N 0 0 408.483 4.404 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432587747 859241366 /nfs/dbraw/zinc/24/13/66/859241366.db2.gz MDUKAVDIEIXVIO-MRXNPFEDSA-N 0 0 424.482 4.322 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000432589420 859242876 /nfs/dbraw/zinc/24/28/76/859242876.db2.gz VESWNLWLHDMFMK-LJQANCHMSA-N 0 0 421.453 4.284 20 5 HIBDRN CCOc1cc(NC(=O)N2Cc3ccccc3O[C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000432646908 859270693 /nfs/dbraw/zinc/27/06/93/859270693.db2.gz ZEQMPFXSRFGEDM-CQSZACIVSA-N 0 0 415.446 4.207 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ccco1)c1ccccn1 ZINC000432649242 859272920 /nfs/dbraw/zinc/27/29/20/859272920.db2.gz NPJOJDQDMTYDDA-UHFFFAOYSA-N 0 0 402.204 4.192 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](Sc2nccn3ccnc23)c2ccccc2)c([N+](=O)[O-])c1 ZINC000432673432 859284799 /nfs/dbraw/zinc/28/47/99/859284799.db2.gz VUSIWIAKGYKTGI-SFHVURJKSA-N 0 0 419.466 4.418 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2CC(C)(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000432705694 859307602 /nfs/dbraw/zinc/30/76/02/859307602.db2.gz HOKYZQXWDWXYLU-CTNGQTDRSA-N 0 0 421.497 4.047 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1sccc1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000432713634 859313731 /nfs/dbraw/zinc/31/37/31/859313731.db2.gz KKQXVZDOARLUGZ-INIZCTEOSA-N 0 0 402.472 4.347 20 5 HIBDRN CCOc1cc(NC(=O)[C@@H]2CCc3ccc(OC)cc32)c([N+](=O)[O-])cc1OCC ZINC000432721273 859318104 /nfs/dbraw/zinc/31/81/04/859318104.db2.gz ZOLZFRPCCNBKRQ-OAHLLOKOSA-N 0 0 400.431 4.069 20 5 HIBDRN CC(C)(NC(=O)Nc1ccccc1CN1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000432771454 859351760 /nfs/dbraw/zinc/35/17/60/859351760.db2.gz LKPXZAZULLRTLU-UHFFFAOYSA-N 0 0 414.531 4.200 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CC[C@@H](C)S(=O)(=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000432812656 859371253 /nfs/dbraw/zinc/37/12/53/859371253.db2.gz JNPZPQQIHPHTGI-MRXNPFEDSA-N 0 0 420.556 4.063 20 5 HIBDRN Cc1c(Br)c(NCC2(CO)CC(c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000432827567 859376994 /nfs/dbraw/zinc/37/69/94/859376994.db2.gz FKMPIXGXSCFDRF-UHFFFAOYSA-N 0 0 406.280 4.029 20 5 HIBDRN Cc1ccn(C2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])CC2)n1 ZINC000432835552 859379453 /nfs/dbraw/zinc/37/94/53/859379453.db2.gz ILYYYBXDENNTNN-UHFFFAOYSA-N 0 0 416.279 4.252 20 5 HIBDRN CCc1cc(NC(=O)c2c(F)cccc2Br)c2cc([N+](=O)[O-])ccc2n1 ZINC000432992051 859467177 /nfs/dbraw/zinc/46/71/77/859467177.db2.gz MUAWVUWHMMKTKZ-UHFFFAOYSA-N 0 0 418.222 4.281 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CC[S@](=O)CC[C@@H]3C)cc2[N+](=O)[O-])cc1 ZINC000433033574 859490943 /nfs/dbraw/zinc/49/09/43/859490943.db2.gz QCMDMFWIOIGYKH-RKOGDMNLSA-N 0 0 404.557 4.397 20 5 HIBDRN C[C@H]1CC[S@@](=O)CCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000433034955 859491825 /nfs/dbraw/zinc/49/18/25/859491825.db2.gz VAVGTCFYDOEDNE-PGGUUEOZSA-N 0 0 408.907 4.383 20 5 HIBDRN CC(C)(C)OC1CC(CCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000433036030 859492935 /nfs/dbraw/zinc/49/29/35/859492935.db2.gz QHLMIBLDMNGRLZ-UHFFFAOYSA-N 0 0 419.522 4.131 20 5 HIBDRN CCOC(=O)c1csc(C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000433055410 859503241 /nfs/dbraw/zinc/50/32/41/859503241.db2.gz VZGRJFXGPUTUER-FNORWQNLSA-N 0 0 401.488 4.121 20 5 HIBDRN O=C(CN[C@H](c1ccccc1)C(F)F)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000433069308 859508097 /nfs/dbraw/zinc/50/80/97/859508097.db2.gz UYBNQBGWKXWCMI-QGZVFWFLSA-N 0 0 418.425 4.253 20 5 HIBDRN CCCc1c(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000433119826 859528907 /nfs/dbraw/zinc/52/89/07/859528907.db2.gz HOXBYVFEKPPLGX-UHFFFAOYSA-N 0 0 423.473 4.372 20 5 HIBDRN CC(C)(NC(=O)Nc1nnc(Cc2ccccc2F)s1)c1ccccc1[N+](=O)[O-] ZINC000433160289 859547316 /nfs/dbraw/zinc/54/73/16/859547316.db2.gz UZVZNCUPIXBUSS-UHFFFAOYSA-N 0 0 415.450 4.233 20 5 HIBDRN CSCC[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nnc2ccccn21 ZINC000433177797 859556930 /nfs/dbraw/zinc/55/69/30/859556930.db2.gz VPBYVFMZOSJMFI-ROUUACIJSA-N 0 0 411.531 4.444 20 5 HIBDRN C[C@H](NC(=O)Nc1cc(-c2ccc(F)cc2F)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000433404234 859680186 /nfs/dbraw/zinc/68/01/86/859680186.db2.gz VLHCGVLVECDQPW-NSHDSACASA-N 0 0 401.373 4.156 20 5 HIBDRN O=[N+]([O-])c1cc(F)cc(OCc2nc(-c3ccc(Br)s3)no2)c1 ZINC000433437806 859703463 /nfs/dbraw/zinc/70/34/63/859703463.db2.gz UDGJVCPPYNXGTM-UHFFFAOYSA-N 0 0 400.185 4.187 20 5 HIBDRN CCCN(C(=O)c1ccccc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000433480777 859723770 /nfs/dbraw/zinc/72/37/70/859723770.db2.gz PPIKLPFLXVNRSF-OAQYLSRUSA-N 0 0 424.501 4.073 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CC[C@@H]1CCOC1 ZINC000433515732 859748441 /nfs/dbraw/zinc/74/84/41/859748441.db2.gz LSUZLJJXBMSSLG-CYBMUJFWSA-N 0 0 418.471 4.255 20 5 HIBDRN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000433572273 859786047 /nfs/dbraw/zinc/78/60/47/859786047.db2.gz AOBLSRPONCXWGL-DJJJIMSYSA-N 0 0 409.467 4.183 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(OCC(F)(F)F)cn1 ZINC000433580192 859792732 /nfs/dbraw/zinc/79/27/32/859792732.db2.gz HMXRBQMTFLLRDV-UHFFFAOYSA-N 0 0 424.360 4.307 20 5 HIBDRN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433584600 859795283 /nfs/dbraw/zinc/79/52/83/859795283.db2.gz ISCKRWPBNLGFRI-YJYMSZOUSA-N 0 0 409.467 4.183 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccnc2)nc1N1CCC[C@@H]1c1cccnc1 ZINC000433600952 859804853 /nfs/dbraw/zinc/80/48/53/859804853.db2.gz VALFWHARIYBDQO-WOJBJXKFSA-N 0 0 416.485 4.463 20 5 HIBDRN O=C(Cc1cc(F)ccc1Br)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000433776581 859888283 /nfs/dbraw/zinc/88/82/83/859888283.db2.gz WVCSSKPTCMOCPQ-UHFFFAOYSA-N 0 0 409.255 4.178 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCc2cccc(COCc3ccccc3)c2)c1[N+](=O)[O-] ZINC000433837568 859923937 /nfs/dbraw/zinc/92/39/37/859923937.db2.gz FVQBMJNIZIMAOF-UHFFFAOYSA-N 0 0 408.458 4.088 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCc2ccc(COCc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000433838693 859924377 /nfs/dbraw/zinc/92/43/77/859924377.db2.gz ZFYSSLHAPYPJJB-UHFFFAOYSA-N 0 0 408.458 4.088 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1OC ZINC000433934304 859983192 /nfs/dbraw/zinc/98/31/92/859983192.db2.gz PAFDSMLZKATCBQ-UHFFFAOYSA-N 0 0 424.413 4.182 20 5 HIBDRN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000433935594 859984676 /nfs/dbraw/zinc/98/46/76/859984676.db2.gz COMLGRHAGFLJFB-UHFFFAOYSA-N 0 0 405.414 4.349 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000433980431 860014173 /nfs/dbraw/zinc/01/41/73/860014173.db2.gz IMCGWSXTAPJCDJ-HZPDHXFCSA-N 0 0 417.893 4.048 20 5 HIBDRN Cc1nc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])sc1Cc1ccccc1F ZINC000433984983 860016424 /nfs/dbraw/zinc/01/64/24/860016424.db2.gz STLACJMMRBTAJD-UHFFFAOYSA-N 0 0 403.439 4.188 20 5 HIBDRN CN(Cc1cc(Cl)ccc1F)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000433993611 860024478 /nfs/dbraw/zinc/02/44/78/860024478.db2.gz JVUWLPWUEVDUEU-UHFFFAOYSA-N 0 0 402.813 4.060 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(F)(c3ccccc3)CC2)cc1OC ZINC000434055421 860068556 /nfs/dbraw/zinc/06/85/56/860068556.db2.gz XJJPTEHHMLIKNO-UHFFFAOYSA-N 0 0 402.422 4.103 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000434181115 860173208 /nfs/dbraw/zinc/17/32/08/860173208.db2.gz DSCFDKWVTIDNEU-UHFFFAOYSA-N 0 0 423.260 4.245 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)c1[N+](=O)[O-] ZINC000434185212 860175338 /nfs/dbraw/zinc/17/53/38/860175338.db2.gz XIQGETBNMSJNMI-UHFFFAOYSA-N 0 0 420.469 4.363 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)c(F)c1 ZINC000434217748 860202550 /nfs/dbraw/zinc/20/25/50/860202550.db2.gz UEPMEDDDHIEOBU-OAHLLOKOSA-N 0 0 409.801 4.122 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434250416 860229474 /nfs/dbraw/zinc/22/94/74/860229474.db2.gz QGOZUHMVVJDSSR-UHFFFAOYSA-N 0 0 408.845 4.363 20 5 HIBDRN O=C(C[C@H]1CCCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccco1 ZINC000434251857 860230808 /nfs/dbraw/zinc/23/08/08/860230808.db2.gz XPAHHQGGEVUEJV-LJQANCHMSA-N 0 0 422.441 4.031 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H](CC(F)(F)F)C1 ZINC000434281621 860249491 /nfs/dbraw/zinc/24/94/91/860249491.db2.gz IHCJYYWRFJYYJY-SNVBAGLBSA-N 0 0 410.342 4.374 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000434328742 860290554 /nfs/dbraw/zinc/29/05/54/860290554.db2.gz ZLAHPROGDOLISR-KBXCAEBGSA-N 0 0 423.391 4.114 20 5 HIBDRN CCCNc1ccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 ZINC000434511348 860381556 /nfs/dbraw/zinc/38/15/56/860381556.db2.gz PRQMNFWSEMBELV-UHFFFAOYSA-N 0 0 421.501 4.208 20 5 HIBDRN CCOc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000467733182 881535060 /nfs/dbraw/zinc/53/50/60/881535060.db2.gz UPWZITJKRYKEKT-QGZVFWFLSA-N 0 0 422.503 4.068 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000467740517 881544306 /nfs/dbraw/zinc/54/43/06/881544306.db2.gz GXFRIOPFLANKOE-UHOSZYNNSA-N 0 0 406.548 4.499 20 5 HIBDRN CCCCn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1[C@@H](CC)N(C)C ZINC000434805244 860501129 /nfs/dbraw/zinc/50/11/29/860501129.db2.gz WGPSHJWWXXACQX-OAHLLOKOSA-N 0 0 418.523 4.433 20 5 HIBDRN C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000434907127 860550122 /nfs/dbraw/zinc/55/01/22/860550122.db2.gz WBMJLHCBLHBEJK-CJNGLKHVSA-N 0 0 418.291 4.174 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000467747111 881553076 /nfs/dbraw/zinc/55/30/76/881553076.db2.gz QXYCHWDCRIEHFG-UHFFFAOYSA-N 0 0 402.453 4.050 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(OCC2CCCC2)CC1 ZINC000435114763 860648398 /nfs/dbraw/zinc/64/83/98/860648398.db2.gz VLOPOURRMWISGH-UHFFFAOYSA-N 0 0 413.421 4.399 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)NC1(CO)Cc2ccccc2C1 ZINC000435129597 860654454 /nfs/dbraw/zinc/65/44/54/860654454.db2.gz LAXGACQFHGXNTL-UHFFFAOYSA-N 0 0 419.437 4.039 20 5 HIBDRN COc1cc(CCC(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000435161671 860671779 /nfs/dbraw/zinc/67/17/79/860671779.db2.gz UNNMZIGJGPVBIR-UHFFFAOYSA-N 0 0 414.849 4.322 20 5 HIBDRN C[C@@](O)(CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CC1 ZINC000467755620 881567997 /nfs/dbraw/zinc/56/79/97/881567997.db2.gz CCXIWRLWHZALCW-LJQANCHMSA-N 0 0 406.891 4.290 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000435263500 860707469 /nfs/dbraw/zinc/70/74/69/860707469.db2.gz QBHHDLCISATNPV-QGZVFWFLSA-N 0 0 404.854 4.223 20 5 HIBDRN CCc1cnc(CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000435322123 860733886 /nfs/dbraw/zinc/73/38/86/860733886.db2.gz ACROSELCRIWTJV-UHFFFAOYSA-N 0 0 413.297 4.049 20 5 HIBDRN COC[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccccc1 ZINC000435322528 860734120 /nfs/dbraw/zinc/73/41/20/860734120.db2.gz DNNOHFXDCUJSPN-OAHLLOKOSA-N 0 0 408.252 4.175 20 5 HIBDRN COC[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000435322635 860734832 /nfs/dbraw/zinc/73/48/32/860734832.db2.gz FNCJFITZECRONU-ZDUSSCGKSA-N 0 0 412.240 4.076 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@@]3(CCCOC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435323427 860735016 /nfs/dbraw/zinc/73/50/16/860735016.db2.gz MQCBJPAHKYSYGA-QGZVFWFLSA-N 0 0 412.284 4.090 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@@H]2C2CCOCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435325516 860736549 /nfs/dbraw/zinc/73/65/49/860736549.db2.gz BONKXTAMRNCXCQ-OAHLLOKOSA-N 0 0 412.284 4.089 20 5 HIBDRN CCN(CCc1nccs1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435326718 860738368 /nfs/dbraw/zinc/73/83/68/860738368.db2.gz FMHYPYNCLYSXJI-UHFFFAOYSA-N 0 0 413.297 4.219 20 5 HIBDRN CC1(C)Cc2ccc(Cl)c(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2O1 ZINC000435330114 860741522 /nfs/dbraw/zinc/74/15/22/860741522.db2.gz ZJADRTDKJVBPIT-UHFFFAOYSA-N 0 0 419.869 4.027 20 5 HIBDRN COc1ccc(CN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000435330146 860741687 /nfs/dbraw/zinc/74/16/87/860741687.db2.gz RTHSVECQCMBXJQ-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435332750 860744003 /nfs/dbraw/zinc/74/40/03/860744003.db2.gz MKNPXDOABADUBD-ZIAGYGMSSA-N 0 0 414.300 4.381 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@@H]2c2cccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000435334255 860745154 /nfs/dbraw/zinc/74/51/54/860745154.db2.gz YACGAFCXPXNFCI-OAHLLOKOSA-N 0 0 407.268 4.373 20 5 HIBDRN Cc1csc(=O)n1CCC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435448159 860802160 /nfs/dbraw/zinc/80/21/60/860802160.db2.gz SZSQJWFKKXEGDB-UHFFFAOYSA-N 0 0 421.525 4.368 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)cc1SC ZINC000435449559 860802795 /nfs/dbraw/zinc/80/27/95/860802795.db2.gz STNUXDBKLBLIJD-UHFFFAOYSA-N 0 0 412.471 4.380 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2cc(-c3cc(Cl)cc(Cl)c3)[nH]n2)c1[N+](=O)[O-] ZINC000435473196 860810971 /nfs/dbraw/zinc/81/09/71/860810971.db2.gz ZRCZDSQJFIPQLU-UHFFFAOYSA-N 0 0 409.233 4.220 20 5 HIBDRN CCC[C@H](CC)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435489774 860818666 /nfs/dbraw/zinc/81/86/66/860818666.db2.gz CTNPUTICCHFAJN-LBPRGKRZSA-N 0 0 407.517 4.441 20 5 HIBDRN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435511992 860830266 /nfs/dbraw/zinc/83/02/66/860830266.db2.gz SQCWXFNEGUPGPM-OCCSQVGLSA-N 0 0 419.528 4.441 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)COc4ccc([N+](=O)[O-])c(C)c4)CC3)c2c1 ZINC000435520599 860837583 /nfs/dbraw/zinc/83/75/83/860837583.db2.gz DEBUHKBWRAGVKO-UHFFFAOYSA-N 0 0 421.453 4.088 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(Br)c(Cl)c1F ZINC000435556377 860875696 /nfs/dbraw/zinc/87/56/96/860875696.db2.gz CDPSLCYFBRWRHC-UHFFFAOYSA-N 0 0 417.618 4.088 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1Cl ZINC000435557768 860877307 /nfs/dbraw/zinc/87/73/07/860877307.db2.gz BHWHFNVTMFGRPK-UHFFFAOYSA-N 0 0 419.865 4.428 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(Cl)cc(Br)c1F ZINC000435560328 860881414 /nfs/dbraw/zinc/88/14/14/860881414.db2.gz VIXQKDUXVTWPKD-UHFFFAOYSA-N 0 0 417.618 4.088 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000435564747 860885256 /nfs/dbraw/zinc/88/52/56/860885256.db2.gz DPUAVZVPCRZUCF-UHFFFAOYSA-N 0 0 405.410 4.132 20 5 HIBDRN COc1cccc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000435730865 861013486 /nfs/dbraw/zinc/01/34/86/861013486.db2.gz GOQWBXWJEPBAIC-UHFFFAOYSA-N 0 0 409.417 4.023 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1C ZINC000467783235 881604875 /nfs/dbraw/zinc/60/48/75/881604875.db2.gz AJNIDQJROKJMTI-MRXNPFEDSA-N 0 0 411.483 4.313 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435750348 861030320 /nfs/dbraw/zinc/03/03/20/861030320.db2.gz NDRSLJIYBQBTIE-UHFFFAOYSA-N 0 0 408.462 4.009 20 5 HIBDRN CC[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])Oc1ccccc1C(F)(F)F ZINC000435810040 861077304 /nfs/dbraw/zinc/07/73/04/861077304.db2.gz RLAAVZYSUAMKJI-LBPRGKRZSA-N 0 0 412.364 4.210 20 5 HIBDRN COc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1OC ZINC000435813090 861078263 /nfs/dbraw/zinc/07/82/63/861078263.db2.gz DBYVMQBBPOOMMI-UHFFFAOYSA-N 0 0 410.376 4.229 20 5 HIBDRN O=C(N[C@H]1CCc2ccccc2C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435822429 861087347 /nfs/dbraw/zinc/08/73/47/861087347.db2.gz PXNMCSUPQBRKAK-KRWDZBQOSA-N 0 0 404.416 4.247 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435825828 861089920 /nfs/dbraw/zinc/08/99/20/861089920.db2.gz JVQWONHQDAPZKG-UHFFFAOYSA-N 0 0 422.488 4.414 20 5 HIBDRN CC[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435829023 861093459 /nfs/dbraw/zinc/09/34/59/861093459.db2.gz XXDLWNBLNRVIDO-GFCCVEGCSA-N 0 0 405.501 4.005 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c(OC)c1 ZINC000435833833 861096600 /nfs/dbraw/zinc/09/66/00/861096600.db2.gz GOWLNLHHYDUFDK-UHFFFAOYSA-N 0 0 420.440 4.110 20 5 HIBDRN COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000435838768 861099739 /nfs/dbraw/zinc/09/97/39/861099739.db2.gz ZVRMSTOWQRPJCJ-CYBMUJFWSA-N 0 0 420.440 4.329 20 5 HIBDRN CC1(C)CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435839302 861100616 /nfs/dbraw/zinc/10/06/16/861100616.db2.gz CZGPITDQWCOXBS-UHFFFAOYSA-N 0 0 405.501 4.005 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000467791088 881613989 /nfs/dbraw/zinc/61/39/89/881613989.db2.gz ZNNNDOGOXAJDIP-OAHLLOKOSA-N 0 0 411.483 4.259 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(C(F)(F)F)cc1Cl ZINC000435901320 861159493 /nfs/dbraw/zinc/15/94/93/861159493.db2.gz IQKVOLIBBRGAAK-UHFFFAOYSA-N 0 0 408.785 4.401 20 5 HIBDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000435921447 861179923 /nfs/dbraw/zinc/17/99/23/861179923.db2.gz DZYAEFKFTAMAPL-CYBMUJFWSA-N 0 0 417.440 4.270 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000467801849 881625131 /nfs/dbraw/zinc/62/51/31/881625131.db2.gz XLNBWSKRHMNEFP-UHFFFAOYSA-N 0 0 410.449 4.382 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000437774997 863093727 /nfs/dbraw/zinc/09/37/27/863093727.db2.gz OUKHRLGVXSWDET-IBGZPJMESA-N 0 0 407.474 4.048 20 5 HIBDRN C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000437830072 863181107 /nfs/dbraw/zinc/18/11/07/863181107.db2.gz SVXAQQUVWFXYJY-VLIAUNLRSA-N 0 0 418.877 4.303 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000437887283 863253070 /nfs/dbraw/zinc/25/30/70/863253070.db2.gz HKRIHUWFVVQKDS-XJKSGUPXSA-N 0 0 424.288 4.001 20 5 HIBDRN O=C(c1ncsc1-c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000437891879 863258268 /nfs/dbraw/zinc/25/82/68/863258268.db2.gz VZXIIMGTYLZUJU-UHFFFAOYSA-N 0 0 409.467 4.402 20 5 HIBDRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000437899339 863271533 /nfs/dbraw/zinc/27/15/33/863271533.db2.gz DFHKPOBHDRFYIJ-UHFFFAOYSA-N 0 0 417.771 4.249 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437923123 863299679 /nfs/dbraw/zinc/29/96/79/863299679.db2.gz WVGNDYVDTMMOJF-UHFFFAOYSA-N 0 0 410.352 4.268 20 5 HIBDRN O=C(Nc1cccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1)C1CCC1 ZINC000437927140 863303991 /nfs/dbraw/zinc/30/39/91/863303991.db2.gz DCBUVUIQRSPTGZ-UHFFFAOYSA-N 0 0 422.485 4.208 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000437927955 863304309 /nfs/dbraw/zinc/30/43/09/863304309.db2.gz OXBFQVWQWCEXGK-HNNXBMFYSA-N 0 0 422.485 4.379 20 5 HIBDRN O=C(NCCCCOc1ccc(F)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437933082 863309055 /nfs/dbraw/zinc/30/90/55/863309055.db2.gz NFGLMJNVHXHAET-UHFFFAOYSA-N 0 0 401.438 4.267 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000437934091 863310886 /nfs/dbraw/zinc/31/08/86/863310886.db2.gz NBAYVHSYXPUHAX-MRXNPFEDSA-N 0 0 406.426 4.074 20 5 HIBDRN O=C(c1cc2ccccc2c2cccnc12)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000437975067 863343895 /nfs/dbraw/zinc/34/38/95/863343895.db2.gz MTVGKSUGVTZLDD-RPBOFIJWSA-N 0 0 423.516 4.113 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438009113 863368968 /nfs/dbraw/zinc/36/89/68/863368968.db2.gz IGUPNVVSHYEUSB-AVRDEDQJSA-N 0 0 409.486 4.437 20 5 HIBDRN O=C(NCc1cc(Br)cs1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438010263 863370115 /nfs/dbraw/zinc/37/01/15/863370115.db2.gz XAYUECHNFGRVJR-UHFFFAOYSA-N 0 0 410.293 4.293 20 5 HIBDRN CC(C)(CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccc(Cl)cc1 ZINC000438025405 863384183 /nfs/dbraw/zinc/38/41/83/863384183.db2.gz CEGGDIDIXCKVOX-KRWDZBQOSA-N 0 0 416.909 4.315 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(CCC(F)(F)F)CC3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000438151982 863571633 /nfs/dbraw/zinc/57/16/33/863571633.db2.gz LQQYQTCDLGYUSV-UHFFFAOYSA-N 0 0 424.423 4.261 20 5 HIBDRN C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000438262752 863728402 /nfs/dbraw/zinc/72/84/02/863728402.db2.gz WOAPOXZKWLSZEO-PXAZEXFGSA-N 0 0 421.375 4.162 20 5 HIBDRN Cc1cccc2nc(C3CCN(Cc4cc([N+](=O)[O-])cc5c4OCOC5)CC3)oc21 ZINC000438336726 863810661 /nfs/dbraw/zinc/81/06/61/863810661.db2.gz VSRJIGDAEGMDGI-UHFFFAOYSA-N 0 0 409.442 4.291 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438386012 863839861 /nfs/dbraw/zinc/83/98/61/863839861.db2.gz OCPPCLXAENFHDU-WMLDXEAASA-N 0 0 405.376 4.242 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2c(F)cccc2Br)cc1SC ZINC000438439992 863867118 /nfs/dbraw/zinc/86/71/18/863867118.db2.gz BMJNUVVJZIGHQR-UHFFFAOYSA-N 0 0 415.240 4.479 20 5 HIBDRN CC(C)N(C)c1ccccc1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000438458008 863880897 /nfs/dbraw/zinc/88/08/97/863880897.db2.gz HGGGXOUHPHXYER-UHFFFAOYSA-N 0 0 413.521 4.316 20 5 HIBDRN CSC1(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCOCC1 ZINC000438487295 863904306 /nfs/dbraw/zinc/90/43/06/863904306.db2.gz ACZVPQFJYADYTM-UHFFFAOYSA-N 0 0 417.487 4.421 20 5 HIBDRN C[C@H](N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000467858651 881708270 /nfs/dbraw/zinc/70/82/70/881708270.db2.gz KYROJFSWFBEGOW-KSFYIVLOSA-N 0 0 410.495 4.439 20 5 HIBDRN CN(CCOCC1CC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000438527320 863952306 /nfs/dbraw/zinc/95/23/06/863952306.db2.gz IXZRFHRSOXFBQZ-FQEVSTJZSA-N 0 0 417.893 4.286 20 5 HIBDRN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000438540556 863966471 /nfs/dbraw/zinc/96/64/71/863966471.db2.gz KKMIEGOCNQZVDZ-VHSXEESVSA-N 0 0 409.202 4.456 20 5 HIBDRN O=C(Nc1ccccc1CC(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000438610562 864036842 /nfs/dbraw/zinc/03/68/42/864036842.db2.gz DDGBYFACJYEWQL-UHFFFAOYSA-N 0 0 408.380 4.054 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000438625311 864052644 /nfs/dbraw/zinc/05/26/44/864052644.db2.gz MCBZAFBLWXYQEW-MRXNPFEDSA-N 0 0 421.400 4.062 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000438656553 864100409 /nfs/dbraw/zinc/10/04/09/864100409.db2.gz QABSQJWHORQHFC-UHFFFAOYSA-N 0 0 410.257 4.277 20 5 HIBDRN CCCCOc1cccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000438659242 864105613 /nfs/dbraw/zinc/10/56/13/864105613.db2.gz YDFDWDKVVYZEDZ-UHFFFAOYSA-N 0 0 413.474 4.149 20 5 HIBDRN O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438669934 864129691 /nfs/dbraw/zinc/12/96/91/864129691.db2.gz BNHCIORPRCDCDW-CTNGQTDRSA-N 0 0 407.514 4.339 20 5 HIBDRN CCc1cccc(C)c1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438796670 864289893 /nfs/dbraw/zinc/28/98/93/864289893.db2.gz RKUVCUYFXJJBPM-UHFFFAOYSA-N 0 0 413.293 4.337 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc2ccoc2c1 ZINC000467898452 881759876 /nfs/dbraw/zinc/75/98/76/881759876.db2.gz BPUXLRRSSXUDQR-GOSISDBHSA-N 0 0 415.833 4.388 20 5 HIBDRN Cc1c(CC(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000438923452 864403208 /nfs/dbraw/zinc/40/32/08/864403208.db2.gz ZNBLEZFRLQVXPO-SFHVURJKSA-N 0 0 408.376 4.065 20 5 HIBDRN CC(C)c1ccc(C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] ZINC000438930237 864409165 /nfs/dbraw/zinc/40/91/65/864409165.db2.gz LAZVRVVKACZYDY-UHFFFAOYSA-N 0 0 412.421 4.270 20 5 HIBDRN Cc1nc([C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)no1 ZINC000438934769 864412584 /nfs/dbraw/zinc/41/25/84/864412584.db2.gz HCVLDJSIIWTPTL-INIZCTEOSA-N 0 0 421.240 4.421 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 ZINC000438948894 864420644 /nfs/dbraw/zinc/42/06/44/864420644.db2.gz PQULKLOGAQKWSH-UHFFFAOYSA-N 0 0 418.816 4.182 20 5 HIBDRN COc1ccc(C[C@H](C)CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000438949124 864421108 /nfs/dbraw/zinc/42/11/08/864421108.db2.gz BOSAXFGMSNFEIX-LBPRGKRZSA-N 0 0 406.866 4.182 20 5 HIBDRN CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000438985595 864447029 /nfs/dbraw/zinc/44/70/29/864447029.db2.gz JEFFQTKAXGPGGG-UHFFFAOYSA-N 0 0 410.455 4.166 20 5 HIBDRN Cc1c(CC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cccc1[N+](=O)[O-] ZINC000439048336 864500154 /nfs/dbraw/zinc/50/01/54/864500154.db2.gz BWVOTUDWMJSRTA-LJQANCHMSA-N 0 0 419.884 4.192 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H]([C@H]4CCOC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000439067715 864519630 /nfs/dbraw/zinc/51/96/30/864519630.db2.gz GMILSNZTYYABSO-MOPGFXCFSA-N 0 0 409.486 4.408 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000439102254 864540433 /nfs/dbraw/zinc/54/04/33/864540433.db2.gz VQNCQFZWROTZIK-INIZCTEOSA-N 0 0 419.890 4.019 20 5 HIBDRN COc1cccc(Cc2nnc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])s2)c1 ZINC000439111441 864548524 /nfs/dbraw/zinc/54/85/24/864548524.db2.gz MHPBIHOHSXVIQO-UHFFFAOYSA-N 0 0 418.862 4.260 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCOc1ccc(Br)cc1 ZINC000439117618 864554099 /nfs/dbraw/zinc/55/40/99/864554099.db2.gz ZXSGGXGKYIHDMF-UHFFFAOYSA-N 0 0 413.655 4.128 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000439122220 864558488 /nfs/dbraw/zinc/55/84/88/864558488.db2.gz HSHKERRIDISBQF-GASCZTMLSA-N 0 0 417.893 4.418 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cccc(Cl)c32)c(C(F)(F)F)c1 ZINC000439130206 864564559 /nfs/dbraw/zinc/56/45/59/864564559.db2.gz BFRGQONBCWOQEW-UHFFFAOYSA-N 0 0 420.796 4.409 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2ccc3ccn(CC(=O)N(C)C)c3c2)cc1[N+](=O)[O-] ZINC000439162045 864592069 /nfs/dbraw/zinc/59/20/69/864592069.db2.gz CQYJDHZICRFOID-UHFFFAOYSA-N 0 0 408.458 4.013 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000439164931 864595444 /nfs/dbraw/zinc/59/54/44/864595444.db2.gz DDPPZYULCKIEHL-UHFFFAOYSA-N 0 0 411.458 4.440 20 5 HIBDRN O=C(NCc1cccc(-c2ccccn2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000439171899 864599802 /nfs/dbraw/zinc/59/98/02/864599802.db2.gz SLLBIUJZPKWINQ-UHFFFAOYSA-N 0 0 416.481 4.190 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)N2CCC3(C2)CCCCC3)cc1[N+](=O)[O-] ZINC000439236888 864654062 /nfs/dbraw/zinc/65/40/62/864654062.db2.gz MFDYYRYYPMARNA-UHFFFAOYSA-N 0 0 417.325 4.011 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1C ZINC000439255769 864670788 /nfs/dbraw/zinc/67/07/88/864670788.db2.gz XYNVUSBIMHVBBT-UHFFFAOYSA-N 0 0 411.439 4.456 20 5 HIBDRN Cc1cc(C(=O)Nc2ncc(C(F)(F)F)cc2Br)ccc1[N+](=O)[O-] ZINC000439292447 864714444 /nfs/dbraw/zinc/71/44/44/864714444.db2.gz ABHSZWJFPPNHIW-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000439294617 864719117 /nfs/dbraw/zinc/71/91/17/864719117.db2.gz LSWZHQUXTJBWAW-GOTSBHOMSA-N 0 0 423.513 4.474 20 5 HIBDRN CN(CCCOCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000439343644 864781645 /nfs/dbraw/zinc/78/16/45/864781645.db2.gz BKQSJDAKUDZBEC-UHFFFAOYSA-N 0 0 409.389 4.267 20 5 HIBDRN Cc1c(NC(=O)N2CCCC[C@@H]2c2ccnn2C)cc(Br)cc1[N+](=O)[O-] ZINC000439401146 864819693 /nfs/dbraw/zinc/81/96/93/864819693.db2.gz CDEWXYDYFPYVHR-OAHLLOKOSA-N 0 0 422.283 4.158 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000439440879 864833028 /nfs/dbraw/zinc/83/30/28/864833028.db2.gz RBWQBYVEFMQFQH-SJCJKPOMSA-N 0 0 405.380 4.480 20 5 HIBDRN CCC(=O)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000467936407 881807983 /nfs/dbraw/zinc/80/79/83/881807983.db2.gz AQHRATDGCXYSDO-PTNGSMBKSA-N 0 0 409.467 4.231 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(Cc2c(F)cccc2F)C2CCCC2)cccc1[N+](=O)[O-] ZINC000439636639 864963287 /nfs/dbraw/zinc/96/32/87/864963287.db2.gz DSYTUKARSNRALJ-UHFFFAOYSA-N 0 0 417.412 4.091 20 5 HIBDRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000467973695 881829836 /nfs/dbraw/zinc/82/98/36/881829836.db2.gz OIRNKKXRLIDTHA-NDEPHWFRSA-N 0 0 403.504 4.006 20 5 HIBDRN CN1C(=O)N(CCc2ccccc2[N+](=O)[O-])C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000467998794 881841505 /nfs/dbraw/zinc/84/15/05/881841505.db2.gz SEFYLLIGGUVTHJ-MRXNPFEDSA-N 0 0 408.241 4.079 20 5 HIBDRN Cc1c(CC(=O)Nc2ccccc2-n2cc(Br)cn2)cccc1[N+](=O)[O-] ZINC000439862579 865169782 /nfs/dbraw/zinc/16/97/82/865169782.db2.gz KTKKVAWPJDRLGG-UHFFFAOYSA-N 0 0 415.247 4.033 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000439887583 865200470 /nfs/dbraw/zinc/20/04/70/865200470.db2.gz IAJBPMJOKXCEHF-UHFFFAOYSA-N 0 0 404.370 4.133 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000439893263 865206099 /nfs/dbraw/zinc/20/60/99/865206099.db2.gz WLVKUKFDWZNRPK-YJYMSZOUSA-N 0 0 403.410 4.127 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(Br)s1 ZINC000439893314 865206148 /nfs/dbraw/zinc/20/61/48/865206148.db2.gz WSSKPPNPCBRUTM-UHFFFAOYSA-N 0 0 400.254 4.139 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000439908321 865216933 /nfs/dbraw/zinc/21/69/33/865216933.db2.gz ZPVRKERTGXQZOG-UHFFFAOYSA-N 0 0 413.474 4.454 20 5 HIBDRN O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1cn2ccnc2s1 ZINC000468007165 881847936 /nfs/dbraw/zinc/84/79/36/881847936.db2.gz WMSIPKVGINWPRO-UHFFFAOYSA-N 0 0 420.410 4.002 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000439914326 865222086 /nfs/dbraw/zinc/22/20/86/865222086.db2.gz NEVPKXOHSXWMIX-QAPCUYQASA-N 0 0 423.828 4.438 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440004832 865306347 /nfs/dbraw/zinc/30/63/47/865306347.db2.gz HUINGIFSZGXGSI-DEOSSOPVSA-N 0 0 416.481 4.291 20 5 HIBDRN C[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000440132229 865374287 /nfs/dbraw/zinc/37/42/87/865374287.db2.gz LMBOQHOLPOXEOE-STQMWFEESA-N 0 0 419.528 4.298 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1c[nH]nc1-c1ccccc1F ZINC000468052548 881877306 /nfs/dbraw/zinc/87/73/06/881877306.db2.gz UQRCITFCCHBXIS-UHFFFAOYSA-N 0 0 412.424 4.323 20 5 HIBDRN CCOc1cc(NC(=O)C2(Oc3ccccc3F)CC2)c([N+](=O)[O-])cc1OCC ZINC000440454964 865759002 /nfs/dbraw/zinc/75/90/02/865759002.db2.gz VUYJTNBDGHHHDB-UHFFFAOYSA-N 0 0 404.394 4.081 20 5 HIBDRN CCOC(=O)c1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cn1C ZINC000440475899 865780998 /nfs/dbraw/zinc/78/09/98/865780998.db2.gz GMQBVELECYXORI-UHFFFAOYSA-N 0 0 408.414 4.106 20 5 HIBDRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000440611633 865838402 /nfs/dbraw/zinc/83/84/02/865838402.db2.gz LPXQNKPZNBDKJZ-UHFFFAOYSA-N 0 0 422.828 5.023 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)C[C@@H](C)O1 ZINC000440623282 865844170 /nfs/dbraw/zinc/84/41/70/865844170.db2.gz GOXYFZZMIIKRPB-HZPDHXFCSA-N 0 0 420.469 4.005 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccsc1)c1cccnc1 ZINC000440729916 865878372 /nfs/dbraw/zinc/87/83/72/865878372.db2.gz PLRJFFAJALLTFC-UHFFFAOYSA-N 0 0 405.439 4.084 20 5 HIBDRN NC(=O)c1ccc(F)c(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 ZINC000440760018 865893936 /nfs/dbraw/zinc/89/39/36/865893936.db2.gz LZQAFUPMWHAYJX-UHFFFAOYSA-N 0 0 411.414 4.236 20 5 HIBDRN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)(F)F)c1 ZINC000440802952 865923245 /nfs/dbraw/zinc/92/32/45/865923245.db2.gz BGWVNUGFJIDZIM-LLVKDONJSA-N 0 0 400.378 4.463 20 5 HIBDRN Cc1ccnc(Oc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)n1 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O=C(Nc1ccc(OCc2ccncc2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446847480 870767286 /nfs/dbraw/zinc/76/72/86/870767286.db2.gz MZMLNCUQGRUOEG-UHFFFAOYSA-N 0 0 404.426 4.159 20 5 HIBDRN COC(=O)COc1ccc(CN[C@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000446854523 870774859 /nfs/dbraw/zinc/77/48/59/870774859.db2.gz ZPPPOZPYZQRYBG-LLVKDONJSA-N 0 0 413.257 4.304 20 5 HIBDRN COCCOc1cc(C)ccc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000446863230 870785218 /nfs/dbraw/zinc/78/52/18/870785218.db2.gz UJXUIGSWFGXOCN-UHFFFAOYSA-N 0 0 415.490 4.049 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000446895620 870814538 /nfs/dbraw/zinc/81/45/38/870814538.db2.gz DREKMWWWKDMVEA-UHFFFAOYSA-N 0 0 418.457 4.042 20 5 HIBDRN CN(CCc1cccc2ccccc21)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446900242 870818611 /nfs/dbraw/zinc/81/86/11/870818611.db2.gz NPLKNKMTMHBMSU-UHFFFAOYSA-N 0 0 403.442 4.008 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000446918769 870834392 /nfs/dbraw/zinc/83/43/92/870834392.db2.gz PEDCWSPIILEUML-UHFFFAOYSA-N 0 0 415.496 4.072 20 5 HIBDRN CC(C)c1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000446992271 870881266 /nfs/dbraw/zinc/88/12/66/870881266.db2.gz BUCPDKNDQVXJSP-UHFFFAOYSA-N 0 0 413.293 4.306 20 5 HIBDRN Cc1ccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c(OCC(F)(F)F)c1 ZINC000447053428 870932607 /nfs/dbraw/zinc/93/26/07/870932607.db2.gz CBPYWVMOSPURLB-UHFFFAOYSA-N 0 0 409.364 4.341 20 5 HIBDRN COC1(CO)CCN(Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000447074278 870956313 /nfs/dbraw/zinc/95/63/13/870956313.db2.gz FCQBFGRGLJPRQI-UHFFFAOYSA-N 0 0 402.516 4.028 20 5 HIBDRN COc1ccc(NC(=O)CSc2nc(C(C)C)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000447334856 871228133 /nfs/dbraw/zinc/22/81/33/871228133.db2.gz MYLKHZRAZIUHPM-UHFFFAOYSA-N 0 0 412.471 4.401 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1)c1cccc(F)c1 ZINC000447338975 871233689 /nfs/dbraw/zinc/23/36/89/871233689.db2.gz DEDCTBFAPRDMKE-JOCHJYFZSA-N 0 0 409.417 4.060 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000447349217 871251983 /nfs/dbraw/zinc/25/19/83/871251983.db2.gz FEWIMRLIIGUHBQ-UHFFFAOYSA-N 0 0 424.276 4.047 20 5 HIBDRN COc1ccccc1NC(=O)[C@@H](C)Sc1ccc(Br)cc1[N+](=O)[O-] ZINC000447359376 871265458 /nfs/dbraw/zinc/26/54/58/871265458.db2.gz OZJRAFGHNDGITM-SNVBAGLBSA-N 0 0 411.277 4.485 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C ZINC000447654992 871586925 /nfs/dbraw/zinc/58/69/25/871586925.db2.gz WMFDPGYLTBCIIO-UHFFFAOYSA-N 0 0 406.776 4.488 20 5 HIBDRN CC(C)c1noc(CCCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])n1 ZINC000447681037 871613584 /nfs/dbraw/zinc/61/35/84/871613584.db2.gz VNNWCYMKMZOITC-UHFFFAOYSA-N 0 0 409.315 4.195 20 5 HIBDRN CC(C)Oc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cn1 ZINC000447686095 871617577 /nfs/dbraw/zinc/61/75/77/871617577.db2.gz OREYSMWSNWZQDV-UHFFFAOYSA-N 0 0 406.311 4.438 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000447699245 871639782 /nfs/dbraw/zinc/63/97/82/871639782.db2.gz OTMLJUBJVXHWKU-UHFFFAOYSA-N 0 0 422.254 4.213 20 5 HIBDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000447859940 871779537 /nfs/dbraw/zinc/77/95/37/871779537.db2.gz AUXJIBDZGYJHDR-UHFFFAOYSA-N 0 0 406.345 4.486 20 5 HIBDRN CCOC(=O)[C@H](C)[C@H](C)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000447973915 871829126 /nfs/dbraw/zinc/82/91/26/871829126.db2.gz CZRHXHWDALTYCX-KGLIPLIRSA-N 0 0 401.419 4.096 20 5 HIBDRN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000447973914 871829328 /nfs/dbraw/zinc/82/93/28/871829328.db2.gz CZRHXHWDALTYCX-KBPBESRZSA-N 0 0 401.419 4.096 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000448040533 871873355 /nfs/dbraw/zinc/87/33/55/871873355.db2.gz XHKGOAVXYMUBFC-AWEZNQCLSA-N 0 0 414.468 4.114 20 5 HIBDRN O=[N+]([O-])c1ccc(CSc2nncn2CCc2ccccn2)c(C(F)(F)F)c1 ZINC000448100885 871945676 /nfs/dbraw/zinc/94/56/76/871945676.db2.gz JUSQKNCQTODJKC-UHFFFAOYSA-N 0 0 409.393 4.135 20 5 HIBDRN Cc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3C(F)(F)F)n(C)c(=O)c2c1 ZINC000448104414 871950222 /nfs/dbraw/zinc/95/02/22/871950222.db2.gz FLONAHCVLAXGEO-UHFFFAOYSA-N 0 0 409.389 4.461 20 5 HIBDRN CCOc1cc(NC(=O)c2cccc3c2OCC3(C)C)c([N+](=O)[O-])cc1OCC ZINC000448135097 872009789 /nfs/dbraw/zinc/00/97/89/872009789.db2.gz QSKAWLSJWOQCGM-UHFFFAOYSA-N 0 0 400.431 4.315 20 5 HIBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2ccncc2)c([N+](=O)[O-])c1 ZINC000448246047 872161155 /nfs/dbraw/zinc/16/11/55/872161155.db2.gz ZIPJFLUMHXCSGX-UHFFFAOYSA-N 0 0 415.496 4.356 20 5 HIBDRN CCC(=O)N1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000448253941 872173155 /nfs/dbraw/zinc/17/31/55/872173155.db2.gz BFCWEYFUGZITDX-LBPRGKRZSA-N 0 0 405.501 4.005 20 5 HIBDRN C[C@H]1OCC[C@]12CN(Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000448369800 872320327 /nfs/dbraw/zinc/32/03/27/872320327.db2.gz CAYIIHRVEJIRMQ-MCFFVMPBSA-N 0 0 416.449 4.295 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])[C@H]1CCC(=O)c2cccn21 ZINC000448395466 872340912 /nfs/dbraw/zinc/34/09/12/872340912.db2.gz MNZDARNZJPOSLV-LJQANCHMSA-N 0 0 405.410 4.132 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000448442506 872385128 /nfs/dbraw/zinc/38/51/28/872385128.db2.gz GDWDKSZHWBELMN-QGZVFWFLSA-N 0 0 400.406 4.010 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)ccc1-c1nc(C)no1 ZINC000448454531 872404147 /nfs/dbraw/zinc/40/41/47/872404147.db2.gz LTHKBXHKHYFHNV-UHFFFAOYSA-N 0 0 422.319 4.233 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(CCn2ccc3ccccc32)no1 ZINC000460154453 872683020 /nfs/dbraw/zinc/68/30/20/872683020.db2.gz JRIQQXUOBCRYFU-UHFFFAOYSA-N 0 0 412.833 4.450 20 5 HIBDRN CCn1c(Cc2ccccc2OC)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000460183655 872748531 /nfs/dbraw/zinc/74/85/31/872748531.db2.gz GOHHGLAJDIGEHB-UHFFFAOYSA-N 0 0 409.490 4.221 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1Cc1ccccc1OC ZINC000460248373 872836477 /nfs/dbraw/zinc/83/64/77/872836477.db2.gz YWWOWBPVTDFKFM-SFHVURJKSA-N 0 0 407.474 4.093 20 5 HIBDRN CCn1c(COCc2ccccc2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000460257785 872847365 /nfs/dbraw/zinc/84/73/65/872847365.db2.gz QSLNHBMEWUEAQU-UHFFFAOYSA-N 0 0 409.490 4.338 20 5 HIBDRN CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)s1 ZINC000460301673 872891144 /nfs/dbraw/zinc/89/11/44/872891144.db2.gz ZTIRYPVRTCELMJ-CYBMUJFWSA-N 0 0 400.508 4.398 20 5 HIBDRN CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000460303558 872892897 /nfs/dbraw/zinc/89/28/97/872892897.db2.gz IGTKIKNFUHRIRN-OAHLLOKOSA-N 0 0 413.453 4.164 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000460312616 872898778 /nfs/dbraw/zinc/89/87/78/872898778.db2.gz NUPLXIIDDYAIRU-HXUWFJFHSA-N 0 0 417.391 4.227 20 5 HIBDRN C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccc(F)cc2O1 ZINC000460324939 872924342 /nfs/dbraw/zinc/92/43/42/872924342.db2.gz CBHFGNFNSSNLNT-HNNXBMFYSA-N 0 0 402.425 4.108 20 5 HIBDRN CCC(CC)c1cc(CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])on1 ZINC000460339132 872949116 /nfs/dbraw/zinc/94/91/16/872949116.db2.gz NDMUFDVEDPPXQU-UHFFFAOYSA-N 0 0 413.377 4.026 20 5 HIBDRN COc1ccc(CCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000460346552 872964549 /nfs/dbraw/zinc/96/45/49/872964549.db2.gz KLEBYVPINXEEAW-LJQANCHMSA-N 0 0 406.891 4.464 20 5 HIBDRN O=C(COc1cccc(Br)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460355676 872979470 /nfs/dbraw/zinc/97/94/70/872979470.db2.gz XSQITZFILAQFNU-KRWDZBQOSA-N 0 0 423.288 4.010 20 5 HIBDRN COc1ccc(CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c2ccncc2)cc1 ZINC000460370138 873005804 /nfs/dbraw/zinc/00/58/04/873005804.db2.gz KWYIDFICYMGJLT-UHFFFAOYSA-N 0 0 411.845 4.428 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000460416796 873073806 /nfs/dbraw/zinc/07/38/06/873073806.db2.gz TUDWYGVLRCUEEM-XJKSGUPXSA-N 0 0 417.487 4.044 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@H](C)Oc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000460442691 873112150 /nfs/dbraw/zinc/11/21/50/873112150.db2.gz GWJCFTVQQDETFA-ZDUSSCGKSA-N 0 0 424.906 4.074 20 5 HIBDRN Cc1ccccc1O[C@H](C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000460449435 873120735 /nfs/dbraw/zinc/12/07/35/873120735.db2.gz PNJKLJZHUQWUFN-GOSISDBHSA-N 0 0 400.478 4.047 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000460477596 873163265 /nfs/dbraw/zinc/16/32/65/873163265.db2.gz FNGHLAIGILWRDR-KRWDZBQOSA-N 0 0 401.488 4.282 20 5 HIBDRN COc1cc(OCC(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)ccc1[N+](=O)[O-] ZINC000460496052 873181966 /nfs/dbraw/zinc/18/19/66/873181966.db2.gz QFOAUBZINBHDPD-UHFFFAOYSA-N 0 0 423.425 4.425 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000460548099 873255082 /nfs/dbraw/zinc/25/50/82/873255082.db2.gz OAIXFYSMJGJPRR-RDJZCZTQSA-N 0 0 418.877 4.081 20 5 HIBDRN CO[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000460555607 873273711 /nfs/dbraw/zinc/27/37/11/873273711.db2.gz FMTCPMNALPVUIN-DZGCQCFKSA-N 0 0 407.517 4.198 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@H](C)CO2)c1 ZINC000460557369 873277326 /nfs/dbraw/zinc/27/73/26/873277326.db2.gz NXHACJGNIRWYSR-WZONZLPQSA-N 0 0 423.513 4.414 20 5 HIBDRN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(CCc1nccs1)C(C)C ZINC000460611026 873354827 /nfs/dbraw/zinc/35/48/27/873354827.db2.gz ZTRBKEYCFVQVIJ-UHFFFAOYSA-N 0 0 414.535 4.423 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000460637163 873378435 /nfs/dbraw/zinc/37/84/35/873378435.db2.gz RRESVBJACNZIDD-UKRRQHHQSA-N 0 0 420.412 4.471 20 5 HIBDRN CCOc1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c2ncccc12 ZINC000468612361 882724095 /nfs/dbraw/zinc/72/40/95/882724095.db2.gz YZKUASAFBWJHAZ-UHFFFAOYSA-N 0 0 404.382 4.048 20 5 HIBDRN Cc1c(-c2nc(-c3ccccc3I)no2)cccc1[N+](=O)[O-] ZINC000460744386 873574817 /nfs/dbraw/zinc/57/48/17/873574817.db2.gz UTVRLCCRSMAXRU-UHFFFAOYSA-N 0 0 407.167 4.225 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)c([N+](=O)[O-])cc1OC ZINC000468622003 882740565 /nfs/dbraw/zinc/74/05/65/882740565.db2.gz NOZQPOGEUBSGAO-LJQANCHMSA-N 0 0 408.401 4.407 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1Oc1ncccc1Br ZINC000468620981 882741267 /nfs/dbraw/zinc/74/12/67/882741267.db2.gz PNJDBGOQVYJJRK-UHFFFAOYSA-N 0 0 417.219 4.433 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000460777511 873630019 /nfs/dbraw/zinc/63/00/19/873630019.db2.gz HKOHDZXBLLZSKR-UHFFFAOYSA-N 0 0 406.204 4.269 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccc(Br)cn3)no2)cc(C(F)(F)F)c1 ZINC000460830669 873716603 /nfs/dbraw/zinc/71/66/03/873716603.db2.gz SCNJMUTZRSUSCS-UHFFFAOYSA-N 0 0 415.125 4.488 20 5 HIBDRN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])cc1Br ZINC000460857256 873756308 /nfs/dbraw/zinc/75/63/08/873756308.db2.gz HBWFAJRKLAZUOF-PBHICJAKSA-N 0 0 405.248 4.007 20 5 HIBDRN CCCCc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C[C@@H]1CCCO1 ZINC000460905916 873813596 /nfs/dbraw/zinc/81/35/96/873813596.db2.gz JPPQURLOJXOFKD-IBGZPJMESA-N 0 0 401.511 4.123 20 5 HIBDRN C[C@@H](c1ccccc1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000460904797 873813708 /nfs/dbraw/zinc/81/37/08/873813708.db2.gz BMCMBQYCJYYJGB-JXFKEZNVSA-N 0 0 407.474 4.230 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N(Cc3ccccc3)C3CC3)n2C[C@@H]2CCCO2)c1 ZINC000460929156 873833156 /nfs/dbraw/zinc/83/31/56/873833156.db2.gz KZJZWMIKSIKAAC-NRFANRHFSA-N 0 0 419.485 4.201 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@H]1C[C@@]12CCOC2 ZINC000461021466 873889312 /nfs/dbraw/zinc/88/93/12/873889312.db2.gz OBESRYHOECYULN-JLTOFOAXSA-N 0 0 420.824 4.222 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000461035913 873897670 /nfs/dbraw/zinc/89/76/70/873897670.db2.gz DCAORLBZXOWKIS-MGPUTAFESA-N 0 0 412.511 4.286 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2sc3ccc(OC)cc3c2C)cc([N+](=O)[O-])c1 ZINC000461067226 873950702 /nfs/dbraw/zinc/95/07/02/873950702.db2.gz OJTNRUKDLVCDEA-UHFFFAOYSA-N 0 0 400.412 4.165 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000461088194 874000724 /nfs/dbraw/zinc/00/07/24/874000724.db2.gz NYFFNDXTVLLNFP-USXIJHARSA-N 0 0 421.284 4.113 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)c2ccccc21 ZINC000461123193 874052448 /nfs/dbraw/zinc/05/24/48/874052448.db2.gz IBJZYGGDFQVZGY-QAPCUYQASA-N 0 0 405.458 4.288 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CC4C[C@@H]5CC3C[C@H](C4)C5)n2C[C@@H]2CCCO2)cc1 ZINC000461150566 874098413 /nfs/dbraw/zinc/09/84/13/874098413.db2.gz JSJRIXWVJUEXKT-WDSUHNAZSA-N 0 0 423.517 4.047 20 5 HIBDRN Cc1ccccc1-c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000461165251 874129064 /nfs/dbraw/zinc/12/90/64/874129064.db2.gz SAPPYOOAZOZLEE-FQEVSTJZSA-N 0 0 421.501 4.020 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCc2ccc(OCc3ccccc3F)cc2)c1[N+](=O)[O-] ZINC000468661635 882795650 /nfs/dbraw/zinc/79/56/50/882795650.db2.gz WAPSXYZKSKLDGF-UHFFFAOYSA-N 0 0 412.421 4.089 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000461224491 874227621 /nfs/dbraw/zinc/22/76/21/874227621.db2.gz SZGHWGNAVGTNDH-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN Cc1nn(C)c(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)c1[N+](=O)[O-] ZINC000461256081 874260945 /nfs/dbraw/zinc/26/09/45/874260945.db2.gz GQMSNLAQDDMPRR-CQSZACIVSA-N 0 0 412.412 4.043 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)n1 ZINC000461264079 874272511 /nfs/dbraw/zinc/27/25/11/874272511.db2.gz FNWTYGSMMGHRNS-OAHLLOKOSA-N 0 0 412.412 4.217 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@@H](C)CO2)c1 ZINC000461278794 874286737 /nfs/dbraw/zinc/28/67/37/874286737.db2.gz XOZUZXRMQASSIX-YCRPNKLZSA-N 0 0 421.453 4.068 20 5 HIBDRN CCC(CC)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000461291289 874296593 /nfs/dbraw/zinc/29/65/93/874296593.db2.gz JRPRODRZCCDDJJ-UHFFFAOYSA-N 0 0 400.475 4.029 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000461299846 874304828 /nfs/dbraw/zinc/30/48/28/874304828.db2.gz WJRUMLWZVNAWKG-FGZHOGPDSA-N 0 0 421.497 4.381 20 5 HIBDRN CO[C@H]1CCOc2c(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000468690565 882814444 /nfs/dbraw/zinc/81/44/44/882814444.db2.gz ZMRQEMQAXVYVJQ-ZBEGNZNMSA-N 0 0 406.822 4.124 20 5 HIBDRN Cc1sc(CNC(=O)c2cccc([N+](=O)[O-])c2N)nc1-c1ccc(Cl)cc1 ZINC000468695621 882817017 /nfs/dbraw/zinc/81/70/17/882817017.db2.gz GVBPLZADFCNDNS-UHFFFAOYSA-N 0 0 402.863 4.192 20 5 HIBDRN O=C(Nc1cccc(N2CCC2=O)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000468696587 882818180 /nfs/dbraw/zinc/81/81/80/882818180.db2.gz XEDBDCZNMDGGSZ-UHFFFAOYSA-N 0 0 417.421 4.163 20 5 HIBDRN COC[C@H]1CCCC[N@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000468697876 882818802 /nfs/dbraw/zinc/81/88/02/882818802.db2.gz ZXRWNWVYFWKOLP-IBGZPJMESA-N 0 0 414.502 4.431 20 5 HIBDRN Nc1c(C(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cccc1[N+](=O)[O-] ZINC000468703036 882821614 /nfs/dbraw/zinc/82/16/14/882821614.db2.gz HILALLYRZXSEIW-AWEZNQCLSA-N 0 0 412.446 4.247 20 5 HIBDRN CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000461414383 874431237 /nfs/dbraw/zinc/43/12/37/874431237.db2.gz SZAJDYVKEHXIDK-VMBOVVBDSA-N 0 0 413.474 4.049 20 5 HIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1S[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000461423749 874453782 /nfs/dbraw/zinc/45/37/82/874453782.db2.gz KXXIKAXAZVAZKJ-IBGZPJMESA-N 0 0 409.555 4.216 20 5 HIBDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000461444748 874500716 /nfs/dbraw/zinc/50/07/16/874500716.db2.gz AEYZLUPJMXUSIB-UHFFFAOYSA-N 0 0 417.259 4.054 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000468749725 882841830 /nfs/dbraw/zinc/84/18/30/882841830.db2.gz PPTRJAKARICTSK-GHRIWEEISA-N 0 0 411.527 4.228 20 5 HIBDRN CC[C@@H](C)c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C[C@H]1CCOC1 ZINC000461519000 874600002 /nfs/dbraw/zinc/60/00/02/874600002.db2.gz NADHOJFIDFZAFM-SJLPKXTDSA-N 0 0 401.511 4.151 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)[C@@H]1c1ccccc1 ZINC000461561096 874655232 /nfs/dbraw/zinc/65/52/32/874655232.db2.gz MFZMFXYRUVZUNQ-WWMYMODYSA-N 0 0 419.485 4.087 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000461635003 874792735 /nfs/dbraw/zinc/79/27/35/874792735.db2.gz ZFJDMHBWEGRQFN-NGFNCXNUSA-N 0 0 424.482 4.153 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccccc2)n1C[C@H]1CCCCO1 ZINC000461650366 874806277 /nfs/dbraw/zinc/80/62/77/874806277.db2.gz GXVMZKHDPXORPD-OAQYLSRUSA-N 0 0 421.501 4.101 20 5 HIBDRN CC(C)C[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 ZINC000461655013 874809015 /nfs/dbraw/zinc/80/90/15/874809015.db2.gz CZJZQOFETDDISI-QUCCMNQESA-N 0 0 413.522 4.437 20 5 HIBDRN CCCCc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1CCCCO1 ZINC000461665814 874818568 /nfs/dbraw/zinc/81/85/68/874818568.db2.gz NTCRUSZTIJQGOW-FQEVSTJZSA-N 0 0 413.522 4.267 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCc4ccccc43)n2C[C@@H]2CCCCO2)cc1 ZINC000461675871 874826232 /nfs/dbraw/zinc/82/62/32/874826232.db2.gz ZNGFGOXCFCOALB-IBGZPJMESA-N 0 0 405.458 4.117 20 5 HIBDRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 ZINC000461677477 874828102 /nfs/dbraw/zinc/82/81/02/874828102.db2.gz CUVFUFRHJYGUAM-QAPCUYQASA-N 0 0 411.462 4.213 20 5 HIBDRN CC(C)C[C@H]1CCCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 ZINC000461693940 874843975 /nfs/dbraw/zinc/84/39/75/874843975.db2.gz HHHDDNRYILXDRA-YLJYHZDGSA-N 0 0 413.522 4.295 20 5 HIBDRN CC(C)C[C@@H]1CCCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 ZINC000461693936 874844073 /nfs/dbraw/zinc/84/40/73/874844073.db2.gz HHHDDNRYILXDRA-PXNSSMCTSA-N 0 0 413.522 4.295 20 5 HIBDRN Cc1cc(N2CCC(C(=O)NCc3ccccc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461718824 874867321 /nfs/dbraw/zinc/86/73/21/874867321.db2.gz OKNCYFYRKYSTKQ-UHFFFAOYSA-N 0 0 421.419 4.455 20 5 HIBDRN Cc1cc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(F)cc1[N+](=O)[O-] ZINC000461721953 874870061 /nfs/dbraw/zinc/87/00/61/874870061.db2.gz WSEPJLJGEZXNAP-GFCCVEGCSA-N 0 0 423.370 4.488 20 5 HIBDRN Cc1cc(Sc2nnc(-c3ccncc3)n2CC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000461779879 874903817 /nfs/dbraw/zinc/90/38/17/874903817.db2.gz RTBCUPMGCOFXLD-UHFFFAOYSA-N 0 0 413.356 4.409 20 5 HIBDRN CSCC[C@H](C)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCCO1 ZINC000461805181 874918054 /nfs/dbraw/zinc/91/80/54/874918054.db2.gz ANAFWSGWTQDHHN-MAUKXSAKSA-N 0 0 419.551 4.000 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2nnc(-c3ccoc3)n2C[C@H]2CCCCO2)C2CC2)cc1 ZINC000461806925 874920750 /nfs/dbraw/zinc/92/07/50/874920750.db2.gz KBOIJWUPPJINFI-HXUWFJFHSA-N 0 0 423.473 4.184 20 5 HIBDRN CC[C@@H](C)c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@H]1CCCCO1 ZINC000461822242 874946791 /nfs/dbraw/zinc/94/67/91/874946791.db2.gz ZYDLIYQBWQPGIA-VQIMIIECSA-N 0 0 413.522 4.438 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(c1nnc(-c2ccoc2)n1C[C@@H]1CCCCO1)C1CC1 ZINC000461861701 875011432 /nfs/dbraw/zinc/01/14/32/875011432.db2.gz YWIMZVGWMJVZGC-IBGZPJMESA-N 0 0 423.473 4.184 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]4CCC[C@H]43)n2C[C@@H]2CCCCO2)c1 ZINC000461871340 875022395 /nfs/dbraw/zinc/02/23/95/875022395.db2.gz KDJLMBCUHQXGKW-FFZOFVMBSA-N 0 0 411.506 4.191 20 5 HIBDRN C[C@@]1(c2ccc(F)cc2)NC(=O)N(c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000461897671 875042729 /nfs/dbraw/zinc/04/27/29/875042729.db2.gz DGDZXAJHWSPVTF-QFIPXVFZSA-N 0 0 421.384 4.498 20 5 HIBDRN Cc1cc(N2CCn3c(nnc3-c3ccccc3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461940430 875073328 /nfs/dbraw/zinc/07/33/28/875073328.db2.gz GPKDLZCFWXGTFF-UHFFFAOYSA-N 0 0 403.364 4.201 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)cc1[N+](=O)[O-] ZINC000462055900 875168915 /nfs/dbraw/zinc/16/89/15/875168915.db2.gz FPPLAKXEJPBMCP-SFHVURJKSA-N 0 0 424.284 4.222 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000462067141 875178118 /nfs/dbraw/zinc/17/81/18/875178118.db2.gz LSNAQYTYPQAWRD-HDJSIYSDSA-N 0 0 415.298 4.267 20 5 HIBDRN Cc1ccccc1-c1cc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])n(C)n1 ZINC000462087550 875196807 /nfs/dbraw/zinc/19/68/07/875196807.db2.gz YFEURWUAUIPZGJ-UHFFFAOYSA-N 0 0 413.865 4.321 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000462122833 875225826 /nfs/dbraw/zinc/22/58/26/875225826.db2.gz URXBTZYAASIHHB-SFHVURJKSA-N 0 0 424.284 4.222 20 5 HIBDRN C[C@@H]1C[C@@H](c2ccccc2)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462131239 875231910 /nfs/dbraw/zinc/23/19/10/875231910.db2.gz RBRSADQYKKNVCG-DGCLKSJQSA-N 0 0 415.298 4.468 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000468875686 882909177 /nfs/dbraw/zinc/90/91/77/882909177.db2.gz HGPRUSONWZHNRX-HNNXBMFYSA-N 0 0 416.909 4.371 20 5 HIBDRN CCCOc1cc(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCCC ZINC000462246487 875362668 /nfs/dbraw/zinc/36/26/68/875362668.db2.gz MMBRYDHFOGQOJV-CRAIPNDOSA-N 0 0 421.494 4.252 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c1 ZINC000462371788 875484099 /nfs/dbraw/zinc/48/40/99/875484099.db2.gz VPEOVVPFUKNZOJ-MQMHXKEQSA-N 0 0 405.248 4.042 20 5 HIBDRN Cc1nn(C)c2cc(NC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)ccc12 ZINC000462375886 875487982 /nfs/dbraw/zinc/48/79/82/875487982.db2.gz GKZFTOVSHJEAQT-CQSZACIVSA-N 0 0 407.474 4.279 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CCCCC23CCCC3)cc1[N+](=O)[O-] ZINC000462418818 875525427 /nfs/dbraw/zinc/52/54/27/875525427.db2.gz QLNPDKZNEZNZGG-QGZVFWFLSA-N 0 0 415.519 4.107 20 5 HIBDRN Cc1cccc(NC(=O)CN(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c1C ZINC000462420073 875526971 /nfs/dbraw/zinc/52/69/71/875526971.db2.gz UUOOWMWLGUSOHQ-UHFFFAOYSA-N 0 0 420.469 4.261 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)Cc1ccc(OC)c(OC)c1 ZINC000462422959 875528720 /nfs/dbraw/zinc/52/87/20/875528720.db2.gz VVRYJRMAXAARFE-GOSISDBHSA-N 0 0 400.475 4.229 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000462422759 875528906 /nfs/dbraw/zinc/52/89/06/875528906.db2.gz PHZKQFBPUXAOJI-OALUTQOASA-N 0 0 409.486 4.041 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000462429466 875534963 /nfs/dbraw/zinc/53/49/63/875534963.db2.gz RKUHRACOSFNGMG-MRXNPFEDSA-N 0 0 422.428 4.432 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2nccn2C)cc1 ZINC000462432306 875539044 /nfs/dbraw/zinc/53/90/44/875539044.db2.gz MMJNVHBOBNYYEZ-QGZVFWFLSA-N 0 0 408.458 4.115 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000462432049 875539460 /nfs/dbraw/zinc/53/94/60/875539460.db2.gz YJGVAIJKIHYSET-CYBMUJFWSA-N 0 0 401.488 4.414 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(-n2nc(C)cc2C)cc1 ZINC000462436161 875540511 /nfs/dbraw/zinc/54/05/11/875540511.db2.gz IWGQMZIENVDCED-NRFANRHFSA-N 0 0 420.513 4.325 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC000462434092 875540986 /nfs/dbraw/zinc/54/09/86/875540986.db2.gz ZSSAGTBWQBLSJN-QFBILLFUSA-N 0 0 411.502 4.008 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000462441902 875547582 /nfs/dbraw/zinc/54/75/82/875547582.db2.gz RHYIZARASUBAQO-SFHVURJKSA-N 0 0 412.490 4.010 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccccc2C)CCOCC1 ZINC000462486869 875595869 /nfs/dbraw/zinc/59/58/69/875595869.db2.gz CPOADXNIYOFMNL-HXUWFJFHSA-N 0 0 410.514 4.337 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2csc(-c3ccco3)n2)nc1OCc1ccccc1 ZINC000462487203 875597804 /nfs/dbraw/zinc/59/78/04/875597804.db2.gz SQSOKUCLEHJUSA-UHFFFAOYSA-N 0 0 408.439 4.897 20 5 HIBDRN CC(=O)c1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])c(OCc3ccccc3)n1)CC2 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SMGRXLOKXPVQTO-FQEVSTJZSA-N 0 0 406.486 4.067 20 5 HIBDRN CCCN1C(=O)CCc2cc(NC(=O)[C@@H](CC)Cc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000462632897 875744566 /nfs/dbraw/zinc/74/45/66/875744566.db2.gz QVIUKIYECYEBDX-KRWDZBQOSA-N 0 0 409.486 4.491 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000462639536 875750584 /nfs/dbraw/zinc/75/05/84/875750584.db2.gz LCYBDLSFTUAULT-WMZOPIPTSA-N 0 0 402.878 4.497 20 5 HIBDRN O=[N+]([O-])c1cccc2c1ccn2Cc1nc(-c2cc(Br)cs2)no1 ZINC000462646341 875755287 /nfs/dbraw/zinc/75/52/87/875755287.db2.gz WKIMOZPDSNTAIG-UHFFFAOYSA-N 0 0 405.233 4.472 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(Cc3cccnc3)CC2)nc1OCc1ccccc1 ZINC000462695768 875784943 /nfs/dbraw/zinc/78/49/43/875784943.db2.gz INXRSFCGSWQQEL-UHFFFAOYSA-N 0 0 404.470 4.423 20 5 HIBDRN Cc1c(Br)c(N2CCN([C@@H](C)c3ccsc3)CC2)ncc1[N+](=O)[O-] ZINC000462697427 875785919 /nfs/dbraw/zinc/78/59/19/875785919.db2.gz DJDFTRREYSSDTB-LBPRGKRZSA-N 0 0 411.325 4.005 20 5 HIBDRN 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USDRMOUZNQXMLR-SJLPKXTDSA-N 0 0 401.532 4.130 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3sc(C(F)(F)F)nc3C)n2)c1 ZINC000463042889 876068503 /nfs/dbraw/zinc/06/85/03/876068503.db2.gz IDJGWRUPKDBHOD-UHFFFAOYSA-N 0 0 400.338 4.028 20 5 HIBDRN C[C@@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccc(F)c(Br)c1 ZINC000463054453 876081766 /nfs/dbraw/zinc/08/17/66/876081766.db2.gz KSADHDKPLNJSIA-JTQLQIEISA-N 0 0 421.226 4.211 20 5 HIBDRN C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000463075182 876105975 /nfs/dbraw/zinc/10/59/75/876105975.db2.gz MXAUYESZWNUUFO-ZDUSSCGKSA-N 0 0 414.849 4.092 20 5 HIBDRN O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463093993 876127764 /nfs/dbraw/zinc/12/77/64/876127764.db2.gz LVOKMEREZZRVLK-UHFFFAOYSA-N 0 0 404.304 4.448 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000463095409 876129488 /nfs/dbraw/zinc/12/94/88/876129488.db2.gz QRKFIJOTDZNZBY-RDJZCZTQSA-N 0 0 406.891 4.377 20 5 HIBDRN 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404.264 4.103 20 5 HIBDRN O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000463336250 876392861 /nfs/dbraw/zinc/39/28/61/876392861.db2.gz QSSYMIGHHFXFLD-UHFFFAOYSA-N 0 0 420.444 4.122 20 5 HIBDRN O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463350694 876403356 /nfs/dbraw/zinc/40/33/56/876403356.db2.gz ROYILCNEQGOPGE-UHFFFAOYSA-N 0 0 408.254 4.442 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463383402 876438571 /nfs/dbraw/zinc/43/85/71/876438571.db2.gz ZKFQFVIMKPWEDV-UHFFFAOYSA-N 0 0 418.453 4.230 20 5 HIBDRN CCOc1ccccc1-c1nnc(SCc2cc(OC)c(F)cc2[N+](=O)[O-])o1 ZINC000463401001 876455010 /nfs/dbraw/zinc/45/50/10/876455010.db2.gz QQMHRTHXUXLLSR-UHFFFAOYSA-N 0 0 405.407 4.484 20 5 HIBDRN COc1cc(CSc2nnc(C3CC3)n2-c2ccccc2)c([N+](=O)[O-])cc1F ZINC000463412512 876465329 /nfs/dbraw/zinc/46/53/29/876465329.db2.gz VEHZNTUCKWRKOS-UHFFFAOYSA-N 0 0 400.435 4.493 20 5 HIBDRN COc1cc(CSc2nc(C3CC3)nn2-c2ccccc2)c([N+](=O)[O-])cc1F ZINC000463434285 876491924 /nfs/dbraw/zinc/49/19/24/876491924.db2.gz MPZJBKMFHUXPRC-UHFFFAOYSA-N 0 0 400.435 4.493 20 5 HIBDRN CC(C)c1nc([C@@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)no1 ZINC000463482801 876541573 /nfs/dbraw/zinc/54/15/73/876541573.db2.gz VGOLKVMSGXTBDI-LLVKDONJSA-N 0 0 412.368 4.140 20 5 HIBDRN CC[C@@H](C)N(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C(N)=O)cc1 ZINC000463609839 876730418 /nfs/dbraw/zinc/73/04/18/876730418.db2.gz DKUUGZBPOLEABH-LLVKDONJSA-N 0 0 409.364 4.158 20 5 HIBDRN C[C@@H](O)C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000468996299 883061919 /nfs/dbraw/zinc/06/19/19/883061919.db2.gz NDHHRWRYCOVUCW-PBHICJAKSA-N 0 0 411.483 4.003 20 5 HIBDRN Cc1c(NC(=O)c2c(Cl)cccc2I)cccc1[N+](=O)[O-] ZINC000463639174 876758299 /nfs/dbraw/zinc/75/82/99/876758299.db2.gz ALBGXMHLECCNKU-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN CCOc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c2ncccc12 ZINC000463675193 876798718 /nfs/dbraw/zinc/79/87/18/876798718.db2.gz NTBRHQXNYPBMKR-UHFFFAOYSA-N 0 0 403.341 4.395 20 5 HIBDRN CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463697579 876817871 /nfs/dbraw/zinc/81/78/71/876817871.db2.gz AJRFZBKMHVTOBD-UHFFFAOYSA-N 0 0 405.863 4.007 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cn(Cc2cccs2)nn1 ZINC000463727399 876847718 /nfs/dbraw/zinc/84/77/18/876847718.db2.gz IZGWWISVPYAHOE-UHFFFAOYSA-N 0 0 421.438 4.341 20 5 HIBDRN CC[C@@H](c1nnc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000463774840 876895419 /nfs/dbraw/zinc/89/54/19/876895419.db2.gz MAQGQFVSHJUJKT-OAHLLOKOSA-N 0 0 411.487 4.063 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)COc2c(F)cccc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000463790196 876909174 /nfs/dbraw/zinc/90/91/74/876909174.db2.gz PMYUEYKXIJSCQV-UHFFFAOYSA-N 0 0 412.421 4.235 20 5 HIBDRN O=C(COc1c(F)cccc1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000463803899 876920851 /nfs/dbraw/zinc/92/08/51/876920851.db2.gz YVQPXMMXCPTGQR-UHFFFAOYSA-N 0 0 402.378 4.183 20 5 HIBDRN CN(CC(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1)c1ccccc1[N+](=O)[O-] ZINC000463849805 876971614 /nfs/dbraw/zinc/97/16/14/876971614.db2.gz UNQMBHQDWIFQRF-UHFFFAOYSA-N 0 0 410.449 4.058 20 5 HIBDRN C[C@@H](c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000463885449 877006177 /nfs/dbraw/zinc/00/61/77/877006177.db2.gz CEIDZJKPFKHHJQ-ZDUSSCGKSA-N 0 0 423.391 4.259 20 5 HIBDRN COc1cc(C(=O)N2CCc3c2cccc3-c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000463906887 877029338 /nfs/dbraw/zinc/02/93/38/877029338.db2.gz RFZSEBFBBHLWGG-UHFFFAOYSA-N 0 0 404.422 4.482 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000469021149 883089807 /nfs/dbraw/zinc/08/98/07/883089807.db2.gz OSWPQORADLADNI-MRXNPFEDSA-N 0 0 414.767 4.481 20 5 HIBDRN C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Oc1ccccc1F ZINC000463931879 877052543 /nfs/dbraw/zinc/05/25/43/877052543.db2.gz CIZASPCTEJMNFG-LBPRGKRZSA-N 0 0 401.419 4.055 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000463944431 877064594 /nfs/dbraw/zinc/06/45/94/877064594.db2.gz OVFQNIBRTCHIRE-HOTGVXAUSA-N 0 0 415.465 4.168 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000463947512 877068160 /nfs/dbraw/zinc/06/81/60/877068160.db2.gz GPHGXAAMTBBCFZ-UHFFFAOYSA-N 0 0 416.522 4.248 20 5 HIBDRN C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Oc1ccc(F)cc1 ZINC000463953432 877075310 /nfs/dbraw/zinc/07/53/10/877075310.db2.gz ZCXQMPLSGGKYLN-GFCCVEGCSA-N 0 0 401.419 4.055 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000463956552 877080211 /nfs/dbraw/zinc/08/02/11/877080211.db2.gz XQRVPBPETDOEKD-GOSISDBHSA-N 0 0 421.400 4.418 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC000463997796 877133538 /nfs/dbraw/zinc/13/35/38/877133538.db2.gz QHWYGGMMXQUGPM-OAHLLOKOSA-N 0 0 408.376 4.293 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000464000999 877137449 /nfs/dbraw/zinc/13/74/49/877137449.db2.gz YIWKYKCDFCIKRB-AWEZNQCLSA-N 0 0 419.890 4.157 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc([S@@](C)=O)cc3)cc2[N+](=O)[O-])C1 ZINC000464007017 877143259 /nfs/dbraw/zinc/14/32/59/877143259.db2.gz OSESKRDHMJFJBM-NXRFCRFCSA-N 0 0 415.515 4.067 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000464029452 877164935 /nfs/dbraw/zinc/16/49/35/877164935.db2.gz RWWWGNORBSQWHU-INIZCTEOSA-N 0 0 418.453 4.090 20 5 HIBDRN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000464038544 877177184 /nfs/dbraw/zinc/17/71/84/877177184.db2.gz BDBNWLSSVDEAAR-IRLDBZIGSA-N 0 0 404.470 4.497 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)cc([N+](=O)[O-])c1 ZINC000464044907 877183458 /nfs/dbraw/zinc/18/34/58/877183458.db2.gz RTXFLJKJSYTRRA-LEWJYISDSA-N 0 0 410.470 4.488 20 5 HIBDRN Cc1c2ccc(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2nn1C ZINC000464066488 877211411 /nfs/dbraw/zinc/21/14/11/877211411.db2.gz MOBOATNLNTWGDA-UHFFFAOYSA-N 0 0 407.352 4.130 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000464098032 877255004 /nfs/dbraw/zinc/25/50/04/877255004.db2.gz JPVGYYJLNHVBIG-UHFFFAOYSA-N 0 0 419.485 4.075 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000464167401 877333060 /nfs/dbraw/zinc/33/30/60/877333060.db2.gz IWTJMNNCACGONM-UHFFFAOYSA-N 0 0 401.810 4.006 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000464225687 877399501 /nfs/dbraw/zinc/39/95/01/877399501.db2.gz HXVRVGZUSLBGDD-SNVBAGLBSA-N 0 0 409.284 4.108 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC[C@H](C)Sc3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000464250227 877428051 /nfs/dbraw/zinc/42/80/51/877428051.db2.gz NVZNUESUEYIMCN-HNNXBMFYSA-N 0 0 424.526 4.367 20 5 HIBDRN Cc1ccc([C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c2ccccn2)cc1 ZINC000503261926 912243475 /nfs/dbraw/zinc/24/34/75/912243475.db2.gz DXRZOZIRIDRBCE-QFIPXVFZSA-N 0 0 414.421 4.071 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000464331773 877523416 /nfs/dbraw/zinc/52/34/16/877523416.db2.gz FRVACJGLGIYTPN-UHFFFAOYSA-N 0 0 418.862 4.098 20 5 HIBDRN Cc1cc(Br)cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464350045 877542434 /nfs/dbraw/zinc/54/24/34/877542434.db2.gz DRNVECZDQJPYHU-UHFFFAOYSA-N 0 0 419.275 4.349 20 5 HIBDRN CN(CCc1cccs1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000464355118 877549009 /nfs/dbraw/zinc/54/90/09/877549009.db2.gz LIZLJEMDQKTJCP-UHFFFAOYSA-N 0 0 401.410 4.178 20 5 HIBDRN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000464411758 877616028 /nfs/dbraw/zinc/61/60/28/877616028.db2.gz OAUBQUMDYQRDGT-HNNXBMFYSA-N 0 0 403.485 4.039 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 ZINC000464428070 877640455 /nfs/dbraw/zinc/64/04/55/877640455.db2.gz KSIVCYSIEZRSTC-YJBOKZPZSA-N 0 0 408.483 4.103 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000464444869 877658695 /nfs/dbraw/zinc/65/86/95/877658695.db2.gz ZLDWODJEOPGHAT-GOSISDBHSA-N 0 0 414.481 4.180 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nccc(-c4ccco4)n3)cc2[N+](=O)[O-])C1 ZINC000464445798 877659991 /nfs/dbraw/zinc/65/99/91/877659991.db2.gz HMCKLNFIYNHSTB-GASCZTMLSA-N 0 0 421.457 4.379 20 5 HIBDRN COc1cc(CN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])cc1F ZINC000464479840 877699571 /nfs/dbraw/zinc/69/95/71/877699571.db2.gz JKHDFHXJCULXCP-GFCCVEGCSA-N 0 0 402.401 4.227 20 5 HIBDRN CC(C)(C)NC(=O)CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000464527285 877745732 /nfs/dbraw/zinc/74/57/32/877745732.db2.gz QUPUNSVPOKPKLP-UHFFFAOYSA-N 0 0 421.906 4.044 20 5 HIBDRN CCOc1c(Cl)cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000464532398 877748496 /nfs/dbraw/zinc/74/84/96/877748496.db2.gz CUADWRSBJWXRHC-UHFFFAOYSA-N 0 0 419.286 4.285 20 5 HIBDRN COc1cc(CN2C[C@H]3CCC(=O)c4cccc2c43)c([N+](=O)[O-])cc1OCC(F)F ZINC000464619703 877840902 /nfs/dbraw/zinc/84/09/02/877840902.db2.gz OUUSXUJHKAITIC-GFCCVEGCSA-N 0 0 418.396 4.328 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(Br)cc1 ZINC000464628164 877845820 /nfs/dbraw/zinc/84/58/20/877845820.db2.gz NFKLMPUHXXEPTR-SNVBAGLBSA-N 0 0 413.655 4.208 20 5 HIBDRN Cc1nc(-c2c[nH]c(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2)cs1 ZINC000464631203 877848979 /nfs/dbraw/zinc/84/89/79/877848979.db2.gz UAWHNOHDIMEGAI-UHFFFAOYSA-N 0 0 412.471 4.038 20 5 HIBDRN O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464631729 877849058 /nfs/dbraw/zinc/84/90/58/877849058.db2.gz VMMXYAKUPWTXCC-KBPBESRZSA-N 0 0 400.397 4.333 20 5 HIBDRN O=C(CCCc1c[nH]c2ccccc12)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464638289 877855098 /nfs/dbraw/zinc/85/50/98/877855098.db2.gz PSEOVKFEEPNTRE-UHFFFAOYSA-N 0 0 407.470 4.469 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2cc(Cl)ccc2O1 ZINC000464661965 877882664 /nfs/dbraw/zinc/88/26/64/877882664.db2.gz GCXLBAIMIYMVLG-CYBMUJFWSA-N 0 0 401.850 4.276 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Oc1cccc(Br)c1 ZINC000464666807 877886812 /nfs/dbraw/zinc/88/68/12/877886812.db2.gz TVYIKPHQPHCQPT-JTQLQIEISA-N 0 0 413.655 4.208 20 5 HIBDRN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1cccc(Br)c1 ZINC000464692982 877906336 /nfs/dbraw/zinc/90/63/36/877906336.db2.gz RGWULXIQHDYJMT-SNVBAGLBSA-N 0 0 413.655 4.208 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000464704819 877926355 /nfs/dbraw/zinc/92/63/55/877926355.db2.gz NJBBLLUNKWIDBR-UTKZUKDTSA-N 0 0 400.500 4.279 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](C)CC ZINC000464709575 877932087 /nfs/dbraw/zinc/93/20/87/877932087.db2.gz KBGLIBQMWBFBPN-QVKFZJNVSA-N 0 0 409.486 4.095 20 5 HIBDRN O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000464716107 877942007 /nfs/dbraw/zinc/94/20/07/877942007.db2.gz YZHBMNMISYOBMB-GOSISDBHSA-N 0 0 418.396 4.020 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000464718014 877944769 /nfs/dbraw/zinc/94/47/69/877944769.db2.gz XQQJWKAOHGDNRP-QWHCGFSZSA-N 0 0 404.492 4.384 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000464718693 877945680 /nfs/dbraw/zinc/94/56/80/877945680.db2.gz FRPWEZVKKSLRBW-UHFFFAOYSA-N 0 0 423.326 4.148 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000464718973 877946072 /nfs/dbraw/zinc/94/60/72/877946072.db2.gz GWPNHOFQRWKLPF-UHFFFAOYSA-N 0 0 424.501 4.060 20 5 HIBDRN COc1cccc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1[N+](=O)[O-] ZINC000464723430 877953768 /nfs/dbraw/zinc/95/37/68/877953768.db2.gz AREQVOQLLKYMBQ-UHFFFAOYSA-N 0 0 424.310 4.199 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464757651 877997078 /nfs/dbraw/zinc/99/70/78/877997078.db2.gz OUPQYPWWWVGIOM-JKSUJKDBSA-N 0 0 415.515 4.045 20 5 HIBDRN O=C(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1c(Cl)cccc1Cl ZINC000464771286 878015059 /nfs/dbraw/zinc/01/50/59/878015059.db2.gz CTCKBHNNOGTIQA-UHFFFAOYSA-N 0 0 424.284 4.384 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464771934 878015368 /nfs/dbraw/zinc/01/53/68/878015368.db2.gz DGEDLJSJYVRAHL-OAHLLOKOSA-N 0 0 417.893 4.427 20 5 HIBDRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000464829065 878085322 /nfs/dbraw/zinc/08/53/22/878085322.db2.gz NHYQSFQSYWOEQZ-HNNXBMFYSA-N 0 0 401.463 4.089 20 5 HIBDRN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000464829066 878085692 /nfs/dbraw/zinc/08/56/92/878085692.db2.gz NHYQSFQSYWOEQZ-OAHLLOKOSA-N 0 0 401.463 4.089 20 5 HIBDRN O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000503339105 912316190 /nfs/dbraw/zinc/31/61/90/912316190.db2.gz ZJOGLNNRUBRBKP-UHFFFAOYSA-N 0 0 401.394 4.195 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(Oc2cccc(C)c2C)c1 ZINC000464883997 878178144 /nfs/dbraw/zinc/17/81/44/878178144.db2.gz RDTRFMDBJLNNCI-UHFFFAOYSA-N 0 0 407.426 4.338 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3cccnc3)cc2)cc1SC ZINC000464896854 878200294 /nfs/dbraw/zinc/20/02/94/878200294.db2.gz UBIIXHGNNMMRTC-UHFFFAOYSA-N 0 0 409.467 4.317 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000464900020 878208026 /nfs/dbraw/zinc/20/80/26/878208026.db2.gz LBXWGBFDWFXGHL-WMZHIEFXSA-N 0 0 407.470 4.142 20 5 HIBDRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000464907413 878220864 /nfs/dbraw/zinc/22/08/64/878220864.db2.gz FUYJJNXTTYNRCU-ZDUSSCGKSA-N 0 0 424.457 4.442 20 5 HIBDRN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000464999218 878353250 /nfs/dbraw/zinc/35/32/50/878353250.db2.gz ZVAOHJIYFVSKTQ-CQSZACIVSA-N 0 0 409.442 4.264 20 5 HIBDRN Cc1cccc(CN(Cc2ccco2)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000465025787 878389983 /nfs/dbraw/zinc/38/99/83/878389983.db2.gz JRABHRBDHNFTMX-UHFFFAOYSA-N 0 0 422.437 4.039 20 5 HIBDRN CCOc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1OC(F)F ZINC000465047548 878409950 /nfs/dbraw/zinc/40/99/50/878409950.db2.gz FMZHJMKSVXHQMC-UHFFFAOYSA-N 0 0 414.792 4.107 20 5 HIBDRN C[C@@H](c1ccccc1Cl)N(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000465073882 878434515 /nfs/dbraw/zinc/43/45/15/878434515.db2.gz JPOCNOPWEPXXSB-ZDUSSCGKSA-N 0 0 416.861 4.314 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(=Cc2ccccc2F)CC1 ZINC000465081732 878443183 /nfs/dbraw/zinc/44/31/83/878443183.db2.gz ZQPFVUCGVYRITP-UHFFFAOYSA-N 0 0 407.401 4.307 20 5 HIBDRN COc1cc(C(=O)NCc2ccc(C)cc2SC)c([N+](=O)[O-])cc1OC(F)F ZINC000465093721 878461216 /nfs/dbraw/zinc/46/12/16/878461216.db2.gz HJQOKLPUNWJAED-UHFFFAOYSA-N 0 0 412.414 4.165 20 5 HIBDRN CCOC(=O)c1sc([C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nc1C ZINC000465118340 878498794 /nfs/dbraw/zinc/49/87/94/878498794.db2.gz WVJJAERPGYXXBM-JTQLQIEISA-N 0 0 419.484 4.242 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cccc(Nc2ccccc2)c1 ZINC000465124483 878504223 /nfs/dbraw/zinc/50/42/23/878504223.db2.gz XRNNCDNIWWBBFO-UHFFFAOYSA-N 0 0 405.410 4.291 20 5 HIBDRN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000465155103 878535505 /nfs/dbraw/zinc/53/55/05/878535505.db2.gz IGZMFYVHQQPSRR-RBUKOAKNSA-N 0 0 410.470 4.012 20 5 HIBDRN C[C@@H]1C[C@@H]1[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)cc1 ZINC000465169108 878554165 /nfs/dbraw/zinc/55/41/65/878554165.db2.gz YLZJMFKQMZIDPH-PTPDTQQLSA-N 0 0 416.861 4.075 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(F)cccc1OC(F)F ZINC000465186428 878577899 /nfs/dbraw/zinc/57/78/99/878577899.db2.gz OQKRPYJLFRHTKC-JTQLQIEISA-N 0 0 400.378 4.132 20 5 HIBDRN CC(=O)N(C)c1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000465293976 878733067 /nfs/dbraw/zinc/73/30/67/878733067.db2.gz JHPZDAFLHQBXSH-UHFFFAOYSA-N 0 0 424.379 4.037 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(OC)c1OC ZINC000503405524 912384474 /nfs/dbraw/zinc/38/44/74/912384474.db2.gz VPPFVLKYIUWMQJ-UHFFFAOYSA-N 0 0 406.460 4.375 20 5 HIBDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000465389034 878828562 /nfs/dbraw/zinc/82/85/62/878828562.db2.gz PYTBDRVTJRBHTP-LVFSCSRESA-N 0 0 401.507 4.212 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(=Cc3ccccc3F)CC2)c(Cl)c1 ZINC000465490782 878933083 /nfs/dbraw/zinc/93/30/83/878933083.db2.gz NSLFAVSMYPHPPW-UHFFFAOYSA-N 0 0 410.854 4.255 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)c1ccc(Br)cc1[N+](=O)[O-])CCCC2 ZINC000465519333 878969034 /nfs/dbraw/zinc/96/90/34/878969034.db2.gz KWDAAEMYKOUTSK-UHFFFAOYSA-N 0 0 405.248 4.349 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000503419907 912410452 /nfs/dbraw/zinc/41/04/52/912410452.db2.gz IBUMGHOPKJJSGL-UHFFFAOYSA-N 0 0 401.488 4.359 20 5 HIBDRN Cc1ccc(C[C@@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000465945943 879615173 /nfs/dbraw/zinc/61/51/73/879615173.db2.gz CBXMTVOUHYGVOQ-CQSZACIVSA-N 0 0 403.504 4.149 20 5 HIBDRN Cc1ccc(NCCCNC(=O)N(Cc2ccc(O)cc2)CC2CC2)c([N+](=O)[O-])c1 ZINC000465986795 879661389 /nfs/dbraw/zinc/66/13/89/879661389.db2.gz SLARUDDIFGIOJP-UHFFFAOYSA-N 0 0 412.490 4.033 20 5 HIBDRN Cc1ccc(C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000466018675 879702491 /nfs/dbraw/zinc/70/24/91/879702491.db2.gz OXDMFUFNEYNWGU-OAQYLSRUSA-N 0 0 404.470 4.124 20 5 HIBDRN COc1cccc(F)c1[C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000466117620 879831493 /nfs/dbraw/zinc/83/14/93/879831493.db2.gz NTBHAYLTJZHSRX-AWEZNQCLSA-N 0 0 417.437 4.057 20 5 HIBDRN C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)Oc1ccccc1Cl ZINC000466182749 879879116 /nfs/dbraw/zinc/87/91/16/879879116.db2.gz WODKAFGRHSZXJV-SNVBAGLBSA-N 0 0 415.780 4.439 20 5 HIBDRN CCOc1cc(NC(=O)NC[C@H](C)Oc2ccc(F)cc2)c([N+](=O)[O-])cc1OCC ZINC000466194407 879887096 /nfs/dbraw/zinc/88/70/96/879887096.db2.gz LOSZHOOXABHGKY-ZDUSSCGKSA-N 0 0 421.425 4.120 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1 ZINC000466241154 879950171 /nfs/dbraw/zinc/95/01/71/879950171.db2.gz DECXSVMRFJGZOG-OAHLLOKOSA-N 0 0 423.494 4.262 20 5 HIBDRN O=C(Nc1cncnc1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000466260598 879988359 /nfs/dbraw/zinc/98/83/59/879988359.db2.gz CQUWAZBUCVLEBZ-UHFFFAOYSA-N 0 0 409.452 4.398 20 5 HIBDRN O=C(CSCc1coc(-c2ccccc2)n1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466262146 879992501 /nfs/dbraw/zinc/99/25/01/879992501.db2.gz GDBBJWJIAYOVRY-UHFFFAOYSA-N 0 0 417.874 4.453 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000466270475 880006269 /nfs/dbraw/zinc/00/62/69/880006269.db2.gz LJPNGQCVXCZMON-CABCVRRESA-N 0 0 409.667 4.431 20 5 HIBDRN COc1cc(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)ccc1[N+](=O)[O-] ZINC000466277185 880015505 /nfs/dbraw/zinc/01/55/05/880015505.db2.gz UMFMJMOIFLWUIN-OAHLLOKOSA-N 0 0 423.494 4.262 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1OCc1cscn1 ZINC000466281745 880021384 /nfs/dbraw/zinc/02/13/84/880021384.db2.gz VVHWZQWUWDVHAY-UHFFFAOYSA-N 0 0 403.847 4.214 20 5 HIBDRN COc1ccc(C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cc1[N+](=O)[O-] ZINC000466282675 880023731 /nfs/dbraw/zinc/02/37/31/880023731.db2.gz HDOFPUUPMNUACR-HNNXBMFYSA-N 0 0 423.238 4.482 20 5 HIBDRN O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466285161 880028088 /nfs/dbraw/zinc/02/80/88/880028088.db2.gz DQCCJVVJKSMROK-LJAQVGFWSA-N 0 0 412.442 4.435 20 5 HIBDRN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466289973 880035353 /nfs/dbraw/zinc/03/53/53/880035353.db2.gz XEQJRKFNBSBMAZ-SNVBAGLBSA-N 0 0 413.655 4.094 20 5 HIBDRN CO[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(Cl)c1 ZINC000466357023 880115213 /nfs/dbraw/zinc/11/52/13/880115213.db2.gz KXYDALROWCSLQL-OAHLLOKOSA-N 0 0 415.780 4.359 20 5 HIBDRN Cc1c(NC(=O)NC[C@@H](C)Oc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000466376561 880136323 /nfs/dbraw/zinc/13/63/23/880136323.db2.gz KGERDCFIALKLAK-LLVKDONJSA-N 0 0 408.252 4.255 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2ccc(CNCc3ccncc3OCC(F)(F)F)o2)c1 ZINC000466412896 880180316 /nfs/dbraw/zinc/18/03/16/880180316.db2.gz YCCQBHQISDTRHV-UHFFFAOYSA-N 0 0 407.348 4.481 20 5 HIBDRN COC(=O)[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CC1 ZINC000466438953 880214206 /nfs/dbraw/zinc/21/42/06/880214206.db2.gz PKNZUMVVMUHJLC-INIZCTEOSA-N 0 0 420.874 4.081 20 5 HIBDRN NC(=O)c1ccc(NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c([N+](=O)[O-])c1 ZINC000466496078 880273230 /nfs/dbraw/zinc/27/32/30/880273230.db2.gz PUHJMSIXIJPNAJ-AWEZNQCLSA-N 0 0 408.483 4.035 20 5 HIBDRN CCn1ncc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1C(F)(F)F ZINC000466505820 880280098 /nfs/dbraw/zinc/28/00/98/880280098.db2.gz NCZXKICHDAUFMT-UHFFFAOYSA-N 0 0 411.365 4.206 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000466510404 880284498 /nfs/dbraw/zinc/28/44/98/880284498.db2.gz QTXCMEIRNAVKAZ-UHFFFAOYSA-N 0 0 405.248 4.426 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C ZINC000466519679 880294886 /nfs/dbraw/zinc/29/48/86/880294886.db2.gz AFRISFLPWFJBDN-UHFFFAOYSA-N 0 0 407.426 4.014 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000466566362 880342271 /nfs/dbraw/zinc/34/22/71/880342271.db2.gz XITZUUOLGHBVGZ-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](COC)c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC ZINC000466573264 880349054 /nfs/dbraw/zinc/34/90/54/880349054.db2.gz MQXQREBZAMSLBF-MRXNPFEDSA-N 0 0 421.425 4.041 20 5 HIBDRN Cc1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000466621294 880392975 /nfs/dbraw/zinc/39/29/75/880392975.db2.gz QGUULYADNHLITC-HNNXBMFYSA-N 0 0 404.850 4.044 20 5 HIBDRN COc1cc(C)ccc1CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000466634033 880407919 /nfs/dbraw/zinc/40/79/19/880407919.db2.gz PZMVSVJDGKLGAF-UHFFFAOYSA-N 0 0 414.405 4.339 20 5 HIBDRN O=C(NCc1ccncc1OCC(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000466641070 880415775 /nfs/dbraw/zinc/41/57/75/880415775.db2.gz KEMQUKRROMIQJZ-UHFFFAOYSA-N 0 0 411.361 4.076 20 5 HIBDRN Cc1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(OC[C@@H]2CCCO2)c1 ZINC000466645850 880420668 /nfs/dbraw/zinc/42/06/68/880420668.db2.gz ANSVMZXOZSSVQI-FQEVSTJZSA-N 0 0 412.486 4.055 20 5 HIBDRN COc1cc(C)ccc1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000466645963 880420995 /nfs/dbraw/zinc/42/09/95/880420995.db2.gz CNFSTHMGELWRFM-MRXNPFEDSA-N 0 0 420.469 4.410 20 5 HIBDRN O=C(NCCCn1ccnc1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466777454 880556056 /nfs/dbraw/zinc/55/60/56/880556056.db2.gz LNMOHBPISQZJRW-UHFFFAOYSA-N 0 0 416.890 4.416 20 5 HIBDRN CN(Cc1cnn(C)c1)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466785695 880565027 /nfs/dbraw/zinc/56/50/27/880565027.db2.gz ITYIBLGXEIDXEP-UHFFFAOYSA-N 0 0 416.890 4.405 20 5 HIBDRN CCCNC(=O)CCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466808700 880585639 /nfs/dbraw/zinc/58/56/39/880585639.db2.gz GMVGBLJRGDJQKY-UHFFFAOYSA-N 0 0 421.906 4.046 20 5 HIBDRN C[C@@]1(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000466834029 880602873 /nfs/dbraw/zinc/60/28/73/880602873.db2.gz XGNXGPYTVBPXFT-SJORKVTESA-N 0 0 418.437 4.027 20 5 HIBDRN CCC[C@H]1CCCN(C(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])C1 ZINC000466870598 880637533 /nfs/dbraw/zinc/63/75/33/880637533.db2.gz NMOBPMMDWUZEDT-AWEZNQCLSA-N 0 0 419.503 4.291 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@H]1C=CCCC1 ZINC000466880124 880647065 /nfs/dbraw/zinc/64/70/65/880647065.db2.gz GZNSVEAYWHKWCZ-IBGZPJMESA-N 0 0 402.454 4.215 20 5 HIBDRN COc1ccc(C2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC2)cc1 ZINC000467006111 880814675 /nfs/dbraw/zinc/81/46/75/880814675.db2.gz NIDJKHWAHGKVDR-UHFFFAOYSA-N 0 0 409.486 4.223 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(Br)c(F)cc2F)cc1[N+](=O)[O-] ZINC000467044905 880839787 /nfs/dbraw/zinc/83/97/87/880839787.db2.gz KBLLGPPITKBSNO-UHFFFAOYSA-N 0 0 401.163 4.287 20 5 HIBDRN Cc1sc(S(=O)(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000467064239 880848442 /nfs/dbraw/zinc/84/84/42/880848442.db2.gz MUKOQEAPFSRZEP-QGZVFWFLSA-N 0 0 423.903 4.081 20 5 HIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000512371984 921112666 /nfs/dbraw/zinc/11/26/66/921112666.db2.gz PBBKMXIFTMNXGD-QGZVFWFLSA-N 0 0 400.303 4.464 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)c2ccccc2)CC1 ZINC000467210437 880941103 /nfs/dbraw/zinc/94/11/03/880941103.db2.gz CDJAQFGZQAMQMV-UHFFFAOYSA-N 0 0 401.850 4.053 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000467227949 880956274 /nfs/dbraw/zinc/95/62/74/880956274.db2.gz GQBHEVAXEVLQOJ-KRWDZBQOSA-N 0 0 419.865 4.312 20 5 HIBDRN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000467335397 881085767 /nfs/dbraw/zinc/08/57/67/881085767.db2.gz QSZLFBOSAFOGSG-FZMZJTMJSA-N 0 0 422.407 4.003 20 5 HIBDRN 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GDQFCCKYZUKLLN-MRXNPFEDSA-N 0 0 415.440 4.106 20 5 HIBDRN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000469394597 883552398 /nfs/dbraw/zinc/55/23/98/883552398.db2.gz BFZVOTHHYHRSFP-JOCHJYFZSA-N 0 0 423.469 4.026 20 5 HIBDRN COCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc(F)cc1Cl ZINC000503635729 912736776 /nfs/dbraw/zinc/73/67/76/912736776.db2.gz XIKPZNZQCUMWRR-UHFFFAOYSA-N 0 0 420.828 4.086 20 5 HIBDRN CCOc1cc(Cl)ccc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000469614796 883835765 /nfs/dbraw/zinc/83/57/65/883835765.db2.gz FLJKVVJNSQEKED-UHFFFAOYSA-N 0 0 404.854 4.001 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000469840574 884022982 /nfs/dbraw/zinc/02/29/82/884022982.db2.gz FUUOOIYCROUQOZ-UHFFFAOYSA-N 0 0 421.291 4.302 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl ZINC000469873819 884062925 /nfs/dbraw/zinc/06/29/25/884062925.db2.gz VCTJNGSVEIYFAC-UHFFFAOYSA-N 0 0 408.201 4.075 20 5 HIBDRN 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COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000470491592 884877847 /nfs/dbraw/zinc/87/78/47/884877847.db2.gz IDQXTZKPOWROPY-LLVKDONJSA-N 0 0 409.826 4.315 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CN[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000470556096 884969776 /nfs/dbraw/zinc/96/97/76/884969776.db2.gz MHCXWZXWMNNSAZ-QGZVFWFLSA-N 0 0 419.254 4.109 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000470622597 885047708 /nfs/dbraw/zinc/04/77/08/885047708.db2.gz UQULATTUROUVCO-UHFFFAOYSA-N 0 0 408.798 4.167 20 5 HIBDRN Cc1ccc(-c2cnc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)s2)c(C)c1 ZINC000470634471 885060632 /nfs/dbraw/zinc/06/06/32/885060632.db2.gz QZAUWZMXZNTLFL-CQSZACIVSA-N 0 0 424.482 4.092 20 5 HIBDRN CC[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000470673020 885102773 /nfs/dbraw/zinc/10/27/73/885102773.db2.gz NPOJRELQOSIVSO-CYBMUJFWSA-N 0 0 406.426 4.027 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)O[C@@H](C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000470688442 885123807 /nfs/dbraw/zinc/12/38/07/885123807.db2.gz FTIGDLWLZLMOQY-BLLLJJGKSA-N 0 0 419.528 4.150 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000470758113 885225511 /nfs/dbraw/zinc/22/55/11/885225511.db2.gz XWQBBYVCQBSAEO-QFSBIZTOSA-N 0 0 410.879 4.066 20 5 HIBDRN COc1cc(C(=O)N(c2ccccc2)C2Cc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000470778115 885247112 /nfs/dbraw/zinc/24/71/12/885247112.db2.gz DWCKQCYBDZETTK-UHFFFAOYSA-N 0 0 418.449 4.426 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000470822873 885310624 /nfs/dbraw/zinc/31/06/24/885310624.db2.gz SWJZRKVJCGLVJU-GFCCVEGCSA-N 0 0 423.263 4.012 20 5 HIBDRN COCCN(C(=O)C1C(C)(C)C1(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000470835397 885327440 /nfs/dbraw/zinc/32/74/40/885327440.db2.gz YTFRURNIPFAKMG-UHFFFAOYSA-N 0 0 403.504 4.380 20 5 HIBDRN Cc1cc(NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000470865122 885354590 /nfs/dbraw/zinc/35/45/90/885354590.db2.gz QLCHJDRYMAVZOH-SFHVURJKSA-N 0 0 404.898 4.216 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000470895471 885394424 /nfs/dbraw/zinc/39/44/24/885394424.db2.gz WTOQOTGAQRYEES-UHFFFAOYSA-N 0 0 416.437 4.262 20 5 HIBDRN COc1cc2[nH]c(CCCNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2c(OC)c1 ZINC000470911914 885420624 /nfs/dbraw/zinc/42/06/24/885420624.db2.gz AKEAPYSFEVAOFF-UHFFFAOYSA-N 0 0 417.849 4.109 20 5 HIBDRN COc1cc2[nH]c(CCCNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2c(OC)c1 ZINC000470915003 885422414 /nfs/dbraw/zinc/42/24/14/885422414.db2.gz XOGHNGDHTTURLM-UHFFFAOYSA-N 0 0 423.425 4.202 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000470920866 885427876 /nfs/dbraw/zinc/42/78/76/885427876.db2.gz VANVQLJJNZMCGX-USCONSEESA-N 0 0 409.486 4.082 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000470980320 885482449 /nfs/dbraw/zinc/48/24/49/885482449.db2.gz 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CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000471129243 885666524 /nfs/dbraw/zinc/66/65/24/885666524.db2.gz MUEZCASSPLUDCB-VQIMIIECSA-N 0 0 402.422 4.125 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000471139176 885681260 /nfs/dbraw/zinc/68/12/60/885681260.db2.gz DFSYEIYFNTXPON-UHFFFAOYSA-N 0 0 406.851 4.361 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000471142113 885685236 /nfs/dbraw/zinc/68/52/36/885685236.db2.gz JVECBTPDRFBNSQ-UHFFFAOYSA-N 0 0 418.247 4.167 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)OC1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000471151269 885699055 /nfs/dbraw/zinc/69/90/55/885699055.db2.gz JWNXDKYOZVVEGT-QFBILLFUSA-N 0 0 420.506 4.222 20 5 HIBDRN CCOc1cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000471173392 885731790 /nfs/dbraw/zinc/73/17/90/885731790.db2.gz OVLVGGWTTLUQGT-QWRGUYRKSA-N 0 0 405.373 4.197 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000471205749 885777263 /nfs/dbraw/zinc/77/72/63/885777263.db2.gz WNCXSGBWRCSOTA-QFIPXVFZSA-N 0 0 404.470 4.418 20 5 HIBDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000471240835 885818490 /nfs/dbraw/zinc/81/84/90/885818490.db2.gz BPZDEWARXMXUGM-UHFFFAOYSA-N 0 0 416.275 4.016 20 5 HIBDRN CCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)cc1[N+](=O)[O-] ZINC000471283685 885865001 /nfs/dbraw/zinc/86/50/01/885865001.db2.gz RDEHHVICEWZPGC-UHFFFAOYSA-N 0 0 412.364 4.454 20 5 HIBDRN O=C(Cc1nc(COc2c(Cl)cccc2[N+](=O)[O-])cs1)Nc1ccccc1 ZINC000471291845 885877211 /nfs/dbraw/zinc/87/72/11/885877211.db2.gz HRGJFRXZKNXGCQ-UHFFFAOYSA-N 0 0 403.847 4.465 20 5 HIBDRN O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1cc2c(cc1Cl)OCCCO2 ZINC000471296215 885883774 /nfs/dbraw/zinc/88/37/74/885883774.db2.gz FIXDYRCUDGBIBQ-UHFFFAOYSA-N 0 0 413.213 4.080 20 5 HIBDRN O=C(Nc1ccc(F)cc1)c1nnc(COc2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000471297887 885885021 /nfs/dbraw/zinc/88/50/21/885885021.db2.gz LMTYJUNVRIHDAG-UHFFFAOYSA-N 0 0 408.798 4.070 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000471320497 885911278 /nfs/dbraw/zinc/91/12/78/885911278.db2.gz KLSBDZVQFPOMNM-INIZCTEOSA-N 0 0 410.396 4.262 20 5 HIBDRN C[C@@H](NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000504081565 912987739 /nfs/dbraw/zinc/98/77/39/912987739.db2.gz PWDWAGHWCJDDBO-GFCCVEGCSA-N 0 0 412.273 4.167 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000471334945 885937918 /nfs/dbraw/zinc/93/79/18/885937918.db2.gz GCGXOWMAJDCFNK-UHFFFAOYSA-N 0 0 407.426 4.392 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000504087965 912997763 /nfs/dbraw/zinc/99/77/63/912997763.db2.gz IPMTXAFWWMFXQN-UHFFFAOYSA-N 0 0 410.499 4.272 20 5 HIBDRN COc1ccc(OCCS[C@@H](C)c2cn(-c3ccccc3)nn2)c([N+](=O)[O-])c1 ZINC000471429732 886085674 /nfs/dbraw/zinc/08/56/74/886085674.db2.gz ZCPBSDCKACIMAD-AWEZNQCLSA-N 0 0 400.460 4.057 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000471450012 886123431 /nfs/dbraw/zinc/12/34/31/886123431.db2.gz NILAAPGBAAPQIW-UHFFFAOYSA-N 0 0 408.433 4.454 20 5 HIBDRN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000471472192 886164116 /nfs/dbraw/zinc/16/41/16/886164116.db2.gz QYZQANOMXHWJSD-ZFWWWQNUSA-N 0 0 403.276 4.451 20 5 HIBDRN Cc1cc(Br)c(F)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000471542195 886248508 /nfs/dbraw/zinc/24/85/08/886248508.db2.gz SEVJUTRERAUZEO-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN Cc1cc(Br)c(F)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000471552772 886261754 /nfs/dbraw/zinc/26/17/54/886261754.db2.gz VQUZCFAEBVVXBD-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)OC(C)C ZINC000471568689 886277319 /nfs/dbraw/zinc/27/73/19/886277319.db2.gz AEYUVKFRWLLYGT-FQEVSTJZSA-N 0 0 418.465 4.303 20 5 HIBDRN CN(Cc1ccnn1C)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000471572315 886282229 /nfs/dbraw/zinc/28/22/29/886282229.db2.gz GUMROKRSTTZVKA-UHFFFAOYSA-N 0 0 416.890 4.405 20 5 HIBDRN COC(=O)C[C@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc2ccccc2c1 ZINC000471624140 886342603 /nfs/dbraw/zinc/34/26/03/886342603.db2.gz FSOUVTBWMXJGSP-SZNDQCEHSA-N 0 0 424.428 4.411 20 5 HIBDRN COc1cccc(C=C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)c1 ZINC000471733697 886451631 /nfs/dbraw/zinc/45/16/31/886451631.db2.gz BBVKHKSBPAAZQS-UHFFFAOYSA-N 0 0 404.264 4.445 20 5 HIBDRN Cc1sc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1CS(C)(=O)=O ZINC000471768995 886500913 /nfs/dbraw/zinc/50/09/13/886500913.db2.gz GORKXWUIXKGDAL-UHFFFAOYSA-N 0 0 422.528 4.099 20 5 HIBDRN CCOC(=O)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000471853885 886622192 /nfs/dbraw/zinc/62/21/92/886622192.db2.gz VYAPWYPJRZVCFT-UHFFFAOYSA-N 0 0 415.204 4.251 20 5 HIBDRN CCOCCC1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000471858418 886630206 /nfs/dbraw/zinc/63/02/06/886630206.db2.gz RQOWVZISJFATBU-UHFFFAOYSA-N 0 0 403.504 4.435 20 5 HIBDRN COc1cccc(C=C2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000471871946 886650245 /nfs/dbraw/zinc/65/02/45/886650245.db2.gz RMNOGTPARXIOGT-UHFFFAOYSA-N 0 0 422.890 4.125 20 5 HIBDRN CCc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1[N+](=O)[O-] ZINC000471882005 886662886 /nfs/dbraw/zinc/66/28/86/886662886.db2.gz WAZLJVCYRMWNRU-UHFFFAOYSA-N 0 0 415.405 4.210 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000471986216 886813341 /nfs/dbraw/zinc/81/33/41/886813341.db2.gz PYJWMEGZPMUHKG-ZIAGYGMSSA-N 0 0 409.446 4.329 20 5 HIBDRN CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2ccccc2)nn1 ZINC000472025567 886847965 /nfs/dbraw/zinc/84/79/65/886847965.db2.gz PDYORELQYNZDQJ-UHFFFAOYSA-N 0 0 417.450 4.452 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000472215680 887015268 /nfs/dbraw/zinc/01/52/68/887015268.db2.gz ZMIBLCJFQUJFSD-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](C)CSc2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000472254806 887065286 /nfs/dbraw/zinc/06/52/86/887065286.db2.gz FMAVKUXEWXWVCQ-AWEZNQCLSA-N 0 0 404.488 4.221 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000472257729 887067986 /nfs/dbraw/zinc/06/79/86/887067986.db2.gz LLYDNNYRYYTVRA-INIZCTEOSA-N 0 0 411.405 4.247 20 5 HIBDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc([N+](=O)[O-])c1 ZINC000504243419 913110624 /nfs/dbraw/zinc/11/06/24/913110624.db2.gz ISIMTJADPPHHLK-HNNXBMFYSA-N 0 0 404.426 4.042 20 5 HIBDRN COc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(OCC2CC2)c1 ZINC000472264086 887077800 /nfs/dbraw/zinc/07/78/00/887077800.db2.gz XHSPMLHLIASVFW-UHFFFAOYSA-N 0 0 404.850 4.018 20 5 HIBDRN COc1ccsc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000472306050 887131699 /nfs/dbraw/zinc/13/16/99/887131699.db2.gz PATSOUJWQYONKU-UHFFFAOYSA-N 0 0 404.469 4.060 20 5 HIBDRN COCCOc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000472339440 887174736 /nfs/dbraw/zinc/17/47/36/887174736.db2.gz TVCLACAFHDOFSY-IBGZPJMESA-N 0 0 422.890 4.161 20 5 HIBDRN CC(=O)c1cc(Br)ccc1OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000504258680 913122008 /nfs/dbraw/zinc/12/20/08/913122008.db2.gz ANWPVCNVQYLECI-UHFFFAOYSA-N 0 0 418.203 4.189 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000472375409 887216583 /nfs/dbraw/zinc/21/65/83/887216583.db2.gz LUIJQXSDRCDXNA-AWEZNQCLSA-N 0 0 408.458 4.362 20 5 HIBDRN Cc1ccc(-n2nc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)c3c2CCC3)cc1 ZINC000504265638 913127359 /nfs/dbraw/zinc/12/73/59/913127359.db2.gz FARWZEPSRHXSFJ-HNNXBMFYSA-N 0 0 402.454 4.169 20 5 HIBDRN COc1ccccc1[C@H](CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])OC(C)C ZINC000472464974 887323747 /nfs/dbraw/zinc/32/37/47/887323747.db2.gz KDXLUROBMWKDDM-NRFANRHFSA-N 0 0 415.490 4.320 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000504286502 913139661 /nfs/dbraw/zinc/13/96/61/913139661.db2.gz PERGCIMBFLWUTK-LBPRGKRZSA-N 0 0 412.833 4.209 20 5 HIBDRN COc1ccc(CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C(C)(C)C)c(OC)c1 ZINC000472506162 887374409 /nfs/dbraw/zinc/37/44/09/887374409.db2.gz SFWPKBWADXOETJ-UHFFFAOYSA-N 0 0 416.474 4.208 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000472539054 887415190 /nfs/dbraw/zinc/41/51/90/887415190.db2.gz JLAISDBPBOMSBV-UHFFFAOYSA-N 0 0 409.829 4.170 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)n2)cc1F ZINC000472549367 887430984 /nfs/dbraw/zinc/43/09/84/887430984.db2.gz RUEDJCFSFUBDLF-NSHDSACASA-N 0 0 418.812 4.166 20 5 HIBDRN COc1ccc(F)c(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1OC ZINC000472550546 887433135 /nfs/dbraw/zinc/43/31/35/887433135.db2.gz MMJJHNPOZRWSCP-UHFFFAOYSA-N 0 0 417.418 4.151 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000504292998 913145866 /nfs/dbraw/zinc/14/58/66/913145866.db2.gz IAPUSEIRYLCKCX-HNNXBMFYSA-N 0 0 405.410 4.139 20 5 HIBDRN 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OBJLHITVWSJLFI-UHFFFAOYSA-N 0 0 405.545 4.405 20 5 HIBDRN C/C=C/C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000474619101 889481923 /nfs/dbraw/zinc/48/19/23/889481923.db2.gz DTOGQQJFYOQUHX-HSWBROFVSA-N 0 0 406.891 4.456 20 5 HIBDRN C/C=C/C[C@H](CO)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000474619816 889484158 /nfs/dbraw/zinc/48/41/58/889484158.db2.gz MUWDEURSONISKB-NHZBNJEXSA-N 0 0 420.849 4.106 20 5 HIBDRN Nc1c(C(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000474657684 889520860 /nfs/dbraw/zinc/52/08/60/889520860.db2.gz FUFVYKAICRLQNW-HNNXBMFYSA-N 0 0 411.405 4.126 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000474709879 889568757 /nfs/dbraw/zinc/56/87/57/889568757.db2.gz FOFLVRGPXNIECI-AUUYWEPGSA-N 0 0 413.430 4.050 20 5 HIBDRN CCCOc1cc(NC(=O)N[C@@H](C)C2CCOCC2)c([N+](=O)[O-])cc1OCCC ZINC000474716212 889574056 /nfs/dbraw/zinc/57/40/56/889574056.db2.gz XEZXUSOBYNNNRX-AWEZNQCLSA-N 0 0 409.483 4.109 20 5 HIBDRN 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/nfs/dbraw/zinc/65/86/42/889658642.db2.gz DLYHISOKFKOERA-SJORKVTESA-N 0 0 411.506 4.081 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000474870721 889724802 /nfs/dbraw/zinc/72/48/02/889724802.db2.gz RLVLKTPRWMQDFM-QGZVFWFLSA-N 0 0 420.453 4.262 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474872112 889726063 /nfs/dbraw/zinc/72/60/63/889726063.db2.gz ILKAPNHQBBRSJQ-GOSISDBHSA-N 0 0 423.391 4.016 20 5 HIBDRN O=C(N[C@@H]1COc2ccc(Cl)cc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000474877765 889731636 /nfs/dbraw/zinc/73/16/36/889731636.db2.gz HMRDTOAWEPBFTR-CYBMUJFWSA-N 0 0 416.739 4.053 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cc1[N+](=O)[O-] ZINC000474879695 889734991 /nfs/dbraw/zinc/73/49/91/889734991.db2.gz NCYRVTYDOZOZKE-CQSZACIVSA-N 0 0 423.477 4.059 20 5 HIBDRN CCc1ccc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000474898274 889757076 /nfs/dbraw/zinc/75/70/76/889757076.db2.gz WQNBVQHSPHYUKI-GOSISDBHSA-N 0 0 408.376 4.390 20 5 HIBDRN CN(Cc1nc2c(s1)CCCC2)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000474916147 889777875 /nfs/dbraw/zinc/77/78/75/889777875.db2.gz YGZBEMDFYDZRNC-UHFFFAOYSA-N 0 0 417.534 4.149 20 5 HIBDRN CC1(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000504633618 913384561 /nfs/dbraw/zinc/38/45/61/913384561.db2.gz AHIBCCKVQXPCCR-UHFFFAOYSA-N 0 0 403.866 4.159 20 5 HIBDRN O=C(NC[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000475029814 889882818 /nfs/dbraw/zinc/88/28/18/889882818.db2.gz HQXURAXEYDLJIY-MRXNPFEDSA-N 0 0 416.865 4.065 20 5 HIBDRN COc1c(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000475031684 889883860 /nfs/dbraw/zinc/88/38/60/889883860.db2.gz ODMRVNXVJSKLSG-OAHLLOKOSA-N 0 0 405.248 4.343 20 5 HIBDRN CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000475031183 889884198 /nfs/dbraw/zinc/88/41/98/889884198.db2.gz LVYPGPYHRPUNFW-UHFFFAOYSA-N 0 0 415.833 4.404 20 5 HIBDRN Cc1cc(F)c(Br)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000475079009 889924117 /nfs/dbraw/zinc/92/41/17/889924117.db2.gz OHHQRJSLHUZSOZ-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3OC)cc2s1 ZINC000475110771 889961102 /nfs/dbraw/zinc/96/11/02/889961102.db2.gz AORASHHJLQMPDR-UHFFFAOYSA-N 0 0 414.443 4.204 20 5 HIBDRN COc1cccc(Cl)c1-c1noc(C)c1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000475114194 889965558 /nfs/dbraw/zinc/96/55/58/889965558.db2.gz UEVUTGRHFHHEIK-UHFFFAOYSA-N 0 0 415.833 4.193 20 5 HIBDRN O=C1CCC[C@H]1[C@@H]1COCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475126471 889987750 /nfs/dbraw/zinc/98/77/50/889987750.db2.gz AXAXJZAPNPYZHE-WMZOPIPTSA-N 0 0 404.850 4.078 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)Nc1ccccc1O[C@@H]1CCOC1 ZINC000475182295 890052821 /nfs/dbraw/zinc/05/28/21/890052821.db2.gz FFWCRGMUPPUIBV-GFCCVEGCSA-N 0 0 411.336 4.425 20 5 HIBDRN COC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000475192044 890062359 /nfs/dbraw/zinc/06/23/59/890062359.db2.gz SMECGEDDISWDHJ-CQSZACIVSA-N 0 0 419.306 4.401 20 5 HIBDRN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccc21 ZINC000475192866 890063081 /nfs/dbraw/zinc/06/30/81/890063081.db2.gz HEIZLJMATCGKOL-OAHLLOKOSA-N 0 0 422.363 4.233 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCCN(c2ccccc2)CC1 ZINC000475199192 890068227 /nfs/dbraw/zinc/06/82/27/890068227.db2.gz STCKCOFDWDRJBS-UHFFFAOYSA-N 0 0 408.380 4.358 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cnccc2OC(C)(C)C)cc1[N+](=O)[O-] ZINC000504675507 913415065 /nfs/dbraw/zinc/41/50/65/913415065.db2.gz BBLKSWVJLZMGRT-UHFFFAOYSA-N 0 0 405.476 4.048 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Br)cn1 ZINC000475233773 890106267 /nfs/dbraw/zinc/10/62/67/890106267.db2.gz OKECFCKPHCYBCW-GFCCVEGCSA-N 0 0 419.279 4.188 20 5 HIBDRN COc1ccc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475291165 890194401 /nfs/dbraw/zinc/19/44/01/890194401.db2.gz LVSKKOGGBRXMTI-WAIKUNEKSA-N 0 0 412.486 4.182 20 5 HIBDRN COc1ccc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475291162 890194463 /nfs/dbraw/zinc/19/44/63/890194463.db2.gz LVSKKOGGBRXMTI-HJPURHCSSA-N 0 0 412.486 4.182 20 5 HIBDRN C[C@H]1OCC[C@]12CN(Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 ZINC000475293388 890197961 /nfs/dbraw/zinc/19/79/61/890197961.db2.gz WJHXVBIXYMVXPB-VFNWGFHPSA-N 0 0 418.877 4.420 20 5 HIBDRN Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)cc12 ZINC000475319760 890237622 /nfs/dbraw/zinc/23/76/22/890237622.db2.gz URRJWPAFMFXSFR-UHFFFAOYSA-N 0 0 407.455 4.318 20 5 HIBDRN CCNc1ccc(C(=O)N[C@H](C)c2ccc(SCCOC)cc2)cc1[N+](=O)[O-] ZINC000504702283 913436440 /nfs/dbraw/zinc/43/64/40/913436440.db2.gz FQCUYJILJIHWJF-CQSZACIVSA-N 0 0 403.504 4.256 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000475370908 890299734 /nfs/dbraw/zinc/29/97/34/890299734.db2.gz KVCIGGASHBVRHO-FCHUYYIVSA-N 0 0 417.469 4.011 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1OCC(F)F ZINC000475405726 890334017 /nfs/dbraw/zinc/33/40/17/890334017.db2.gz BEYICZOVCRROCU-UHFFFAOYSA-N 0 0 400.765 4.300 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccccc2OCC(F)F)cc1[N+](=O)[O-] ZINC000475409317 890336915 /nfs/dbraw/zinc/33/69/15/890336915.db2.gz XVECCHVGKBOAOR-UHFFFAOYSA-N 0 0 412.414 4.119 20 5 HIBDRN O=C(Nc1ccccc1OCC(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000475416651 890341903 /nfs/dbraw/zinc/34/19/03/890341903.db2.gz ZBJBAHLAIDMGPD-UHFFFAOYSA-N 0 0 420.290 4.432 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1c(C)cccc1I ZINC000475432022 890351245 /nfs/dbraw/zinc/35/12/45/890351245.db2.gz BVBKXTZBVMUONQ-UHFFFAOYSA-N 0 0 410.211 4.377 20 5 HIBDRN CCOc1cc(N2CCN(Cc3ccc(SC)c(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC000475505853 890421612 /nfs/dbraw/zinc/42/16/12/890421612.db2.gz DYEHEROENALNLI-UHFFFAOYSA-N 0 0 417.531 4.046 20 5 HIBDRN COc1c(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000475530068 890453989 /nfs/dbraw/zinc/45/39/89/890453989.db2.gz RLVRZODEZJXDOD-KRWDZBQOSA-N 0 0 408.414 4.021 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000475547977 890472921 /nfs/dbraw/zinc/47/29/21/890472921.db2.gz PXEKBKJHVJCXQM-UHFFFAOYSA-N 0 0 411.245 4.279 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000475557139 890484347 /nfs/dbraw/zinc/48/43/47/890484347.db2.gz YKNNVZZJRMCYAN-UHFFFAOYSA-N 0 0 401.438 4.221 20 5 HIBDRN C[C@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475630715 890570310 /nfs/dbraw/zinc/57/03/10/890570310.db2.gz IKTKQWVNALMKRJ-YCRPNKLZSA-N 0 0 418.877 4.420 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000475641705 890584139 /nfs/dbraw/zinc/58/41/39/890584139.db2.gz SLBJBXOEAWCBDO-UHFFFAOYSA-N 0 0 423.372 4.206 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1 ZINC000475643840 890585216 /nfs/dbraw/zinc/58/52/16/890585216.db2.gz YBSYJZGEBZLLBM-UHFFFAOYSA-N 0 0 422.441 4.056 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475647739 890591621 /nfs/dbraw/zinc/59/16/21/890591621.db2.gz MIGBNWONNXYNSV-UHFFFAOYSA-N 0 0 407.474 4.395 20 5 HIBDRN O=[N+]([O-])c1cccc2ccc(/C=C\c3ncc(I)s3)nc21 ZINC000504739658 913477391 /nfs/dbraw/zinc/47/73/91/913477391.db2.gz DEKRSIDHCKVORD-SREVYHEPSA-N 0 0 409.208 4.375 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000475804493 890740287 /nfs/dbraw/zinc/74/02/87/890740287.db2.gz CZLOCWBAEKXFKN-SFHVURJKSA-N 0 0 418.409 4.357 20 5 HIBDRN Cn1cc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475807372 890741197 /nfs/dbraw/zinc/74/11/97/890741197.db2.gz IHKHGNQZEGIXHK-VSRDTVRMSA-N 0 0 402.454 4.313 20 5 HIBDRN CN(c1ccccc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000475837637 890771103 /nfs/dbraw/zinc/77/11/03/890771103.db2.gz NFAMUHLHSMIBMC-UHFFFAOYSA-N 0 0 406.442 4.480 20 5 HIBDRN CCOc1cc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)c([N+](=O)[O-])cc1OC ZINC000475846726 890779958 /nfs/dbraw/zinc/77/99/58/890779958.db2.gz JBSJUVBAFYGCJH-UHFFFAOYSA-N 0 0 416.821 4.094 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ncc(C(F)(F)F)s1 ZINC000475857097 890792568 /nfs/dbraw/zinc/79/25/68/890792568.db2.gz MKKVGMCHGUCDIK-UHFFFAOYSA-N 0 0 403.385 4.269 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCCCc2ccc(F)c(F)c2)cc1SC ZINC000475877773 890812913 /nfs/dbraw/zinc/81/29/13/890812913.db2.gz AHKBNRDIBAFFTI-UHFFFAOYSA-N 0 0 410.442 4.356 20 5 HIBDRN COc1cc(OCC(=O)c2cc(C)n(Cc3cccs3)c2C)ccc1[N+](=O)[O-] ZINC000475879835 890814168 /nfs/dbraw/zinc/81/41/68/890814168.db2.gz JAUQUZGXXHUCBF-UHFFFAOYSA-N 0 0 400.456 4.393 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1OCc1ccc(Cl)cc1-n1cncn1 ZINC000475974012 890892018 /nfs/dbraw/zinc/89/20/18/890892018.db2.gz GONDTBRUQONRDJ-UHFFFAOYSA-N 0 0 409.627 4.170 20 5 HIBDRN CCOC(=O)[C@H](CC)S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000476000327 890927152 /nfs/dbraw/zinc/92/71/52/890927152.db2.gz TZYLQIYBVYMOGJ-RNCFNFMXSA-N 0 0 408.398 4.016 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000476083644 891006201 /nfs/dbraw/zinc/00/62/01/891006201.db2.gz KJOYCYSTYPWJBQ-UHFFFAOYSA-N 0 0 419.153 4.437 20 5 HIBDRN Cc1ccc(-n2cccn2)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000476115405 891035956 /nfs/dbraw/zinc/03/59/56/891035956.db2.gz NVQRTCQZYYTWOZ-UHFFFAOYSA-N 0 0 408.461 4.288 20 5 HIBDRN Nc1c(F)c(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)ccc1[N+](=O)[O-] ZINC000476114403 891036349 /nfs/dbraw/zinc/03/63/49/891036349.db2.gz XKRADCKHGAHQFD-UHFFFAOYSA-N 0 0 413.371 4.495 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000476131079 891053312 /nfs/dbraw/zinc/05/33/12/891053312.db2.gz CPVHKFCJLFBFEB-UHFFFAOYSA-N 0 0 410.376 4.077 20 5 HIBDRN CCOc1cc(C(=O)N2C[C@@H](C)Oc3c(Cl)cccc32)c([N+](=O)[O-])cc1OC ZINC000476170451 891099654 /nfs/dbraw/zinc/09/96/54/891099654.db2.gz VKUFQNUCRHABCA-LLVKDONJSA-N 0 0 406.822 4.083 20 5 HIBDRN Cn1ccnc1[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000476177961 891108692 /nfs/dbraw/zinc/10/86/92/891108692.db2.gz YQPYRPWGVFLLOA-LJQANCHMSA-N 0 0 407.430 4.393 20 5 HIBDRN Cc1nc2ccc(Br)cn2c1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000476234088 891156943 /nfs/dbraw/zinc/15/69/43/891156943.db2.gz IHLWRPPTMHDNKJ-LLVKDONJSA-N 0 0 417.263 4.113 20 5 HIBDRN Cc1ccc(I)cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000476244094 891167297 /nfs/dbraw/zinc/16/72/97/891167297.db2.gz ANUZDTDDBBPONN-UHFFFAOYSA-N 0 0 421.194 4.241 20 5 HIBDRN CC[C@H](CCO)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000476253611 891176820 /nfs/dbraw/zinc/17/68/20/891176820.db2.gz RKCSDZSPRVOFDJ-CYBMUJFWSA-N 0 0 422.865 4.188 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N(CCO)Cc3cccnc3)cc2[N+](=O)[O-])cc1 ZINC000476253250 891177142 /nfs/dbraw/zinc/17/71/42/891177142.db2.gz HFWFYHHFOCJNBE-UHFFFAOYSA-N 0 0 423.494 4.084 20 5 HIBDRN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000476335257 891241510 /nfs/dbraw/zinc/24/15/10/891241510.db2.gz LCYUAQDWGSXGIN-UHFFFAOYSA-N 0 0 404.426 4.018 20 5 HIBDRN Cn1c(COc2ccccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1F ZINC000476474568 891384750 /nfs/dbraw/zinc/38/47/50/891384750.db2.gz ZCJILRCANBCKIY-UHFFFAOYSA-N 0 0 408.842 4.387 20 5 HIBDRN C[C@@H](c1nnc(SCc2ccc([N+](=O)[O-])cc2F)n1-c1ccc(F)cc1)N(C)C ZINC000476475386 891385553 /nfs/dbraw/zinc/38/55/53/891385553.db2.gz DLDFUVJBXQKJNJ-LBPRGKRZSA-N 0 0 419.457 4.369 20 5 HIBDRN C[C@@H](c1ccccc1)n1c(SCc2c([N+](=O)[O-])ncn2C)nnc1-c1ccccc1 ZINC000476486110 891396772 /nfs/dbraw/zinc/39/67/72/891396772.db2.gz UWVLYAPFPSYDBB-HNNXBMFYSA-N 0 0 420.498 4.488 20 5 HIBDRN CCc1n[nH]c(=O)c(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1CC ZINC000476496344 891407836 /nfs/dbraw/zinc/40/78/36/891407836.db2.gz XSCDAWWYRPLVMF-UHFFFAOYSA-N 0 0 406.442 4.058 20 5 HIBDRN O=[N+]([O-])c1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c(F)c1 ZINC000476500706 891412624 /nfs/dbraw/zinc/41/26/24/891412624.db2.gz QXFAEYRATTUQHQ-UHFFFAOYSA-N 0 0 411.418 4.321 20 5 HIBDRN O=C(NC[C@@H]1CC[C@@H](O)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000476551097 891467612 /nfs/dbraw/zinc/46/76/12/891467612.db2.gz RHGHSHISRPUIMK-TZMCWYRMSA-N 0 0 406.891 4.290 20 5 HIBDRN COc1cc(C(=O)NC2CC(C(C)(C)C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000504838733 913562244 /nfs/dbraw/zinc/56/22/44/913562244.db2.gz NFBZRVZLOKVOSD-UHFFFAOYSA-N 0 0 419.503 4.193 20 5 HIBDRN CCCOc1cc(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)c([N+](=O)[O-])cc1OCCC ZINC000476636529 891574589 /nfs/dbraw/zinc/57/45/89/891574589.db2.gz YAOSTVVJBAOZQW-ZDUSSCGKSA-N 0 0 418.494 4.265 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H](C)[C@H]3CCCOC3)cc2[N+](=O)[O-])n1 ZINC000504851530 913576279 /nfs/dbraw/zinc/57/62/79/913576279.db2.gz HVYUUINRJPKBQD-JSGCOSHPSA-N 0 0 407.517 4.056 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)cc([N+](=O)[O-])c1 ZINC000476685332 891637800 /nfs/dbraw/zinc/63/78/00/891637800.db2.gz DAVUGSRHAPWDBH-UHFFFAOYSA-N 0 0 415.402 4.205 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H](C)[C@@H]3CCCOC3)cc2[N+](=O)[O-])n1 ZINC000504851532 913576496 /nfs/dbraw/zinc/57/64/96/913576496.db2.gz HVYUUINRJPKBQD-TZMCWYRMSA-N 0 0 407.517 4.056 20 5 HIBDRN COc1c(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cccc1[N+](=O)[O-] ZINC000476756374 891727683 /nfs/dbraw/zinc/72/76/83/891727683.db2.gz OUBCVVKZBAHKEB-UHFFFAOYSA-N 0 0 409.423 4.403 20 5 HIBDRN CC(C)c1cccc2c1CCN(C(=O)c1cc([N+](=O)[O-])ccc1SCCO)C2 ZINC000476819883 891805120 /nfs/dbraw/zinc/80/51/20/891805120.db2.gz NZBDIFUAUQZXMZ-UHFFFAOYSA-N 0 0 400.500 4.001 20 5 HIBDRN CC(C)(C)c1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)cc1[N+](=O)[O-] ZINC000504867901 913597089 /nfs/dbraw/zinc/59/70/89/913597089.db2.gz WIBJXRCXHHOYEC-UHFFFAOYSA-N 0 0 401.444 4.013 20 5 HIBDRN COC(=O)c1cccc(OCc2noc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)c1 ZINC000476930696 891876139 /nfs/dbraw/zinc/87/61/39/891876139.db2.gz XIXQRFRIKRVNSW-UHFFFAOYSA-N 0 0 423.303 4.029 20 5 HIBDRN CCn1c(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)nc2cccnc21 ZINC000476987087 891911851 /nfs/dbraw/zinc/91/18/51/891911851.db2.gz VYRKCJZCRVHPFD-UHFFFAOYSA-N 0 0 416.441 4.224 20 5 HIBDRN COC(=O)[C@@H](Cc1ccc(C)cc1)SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477041540 891966546 /nfs/dbraw/zinc/96/65/46/891966546.db2.gz FPGGOXPRRMMDOE-QGZVFWFLSA-N 0 0 422.890 4.013 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCCOc1ccc(Cl)cc1Cl ZINC000477046372 891974991 /nfs/dbraw/zinc/97/49/91/891974991.db2.gz RRMXGQOWMFVRTG-UHFFFAOYSA-N 0 0 401.221 4.169 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000477081457 892016799 /nfs/dbraw/zinc/01/67/99/892016799.db2.gz AWTHFMTYQOZQBQ-UHFFFAOYSA-N 0 0 403.435 4.371 20 5 HIBDRN COc1ccc(OC)c(-c2csc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC000477116377 892047359 /nfs/dbraw/zinc/04/73/59/892047359.db2.gz HLIQDOZKEUIDNL-UHFFFAOYSA-N 0 0 417.418 4.056 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC1CCSCC1 ZINC000504898741 913630644 /nfs/dbraw/zinc/63/06/44/913630644.db2.gz WURUOURNEFFFDS-UHFFFAOYSA-N 0 0 422.510 4.002 20 5 HIBDRN CC(C)c1nnc([C@@H](C)NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[nH]1 ZINC000477312845 892276044 /nfs/dbraw/zinc/27/60/44/892276044.db2.gz YTJDLBNUYCZBQQ-CYBMUJFWSA-N 0 0 411.487 4.479 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000477317237 892280100 /nfs/dbraw/zinc/28/01/00/892280100.db2.gz VQWJJVRYFCPAOD-UHFFFAOYSA-N 0 0 414.458 4.455 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000477354775 892319484 /nfs/dbraw/zinc/31/94/84/892319484.db2.gz XGOSHGFXIRJGBH-UHFFFAOYSA-N 0 0 415.453 4.278 20 5 HIBDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000477370466 892331828 /nfs/dbraw/zinc/33/18/28/892331828.db2.gz CASZNLWOHSNQPM-UHFFFAOYSA-N 0 0 416.909 4.330 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000477373508 892335715 /nfs/dbraw/zinc/33/57/15/892335715.db2.gz GSBDSXWEHZWIMR-AWEZNQCLSA-N 0 0 404.825 4.431 20 5 HIBDRN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000477387553 892344157 /nfs/dbraw/zinc/34/41/57/892344157.db2.gz ZIGSSDKIZYOAGY-JOYOIKCWSA-N 0 0 409.202 4.089 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000504918879 913654159 /nfs/dbraw/zinc/65/41/59/913654159.db2.gz LHMKHYGBVXDUNB-UHFFFAOYSA-N 0 0 408.433 4.015 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000477411066 892363680 /nfs/dbraw/zinc/36/36/80/892363680.db2.gz HXJYJFQIMURIHC-GFCCVEGCSA-N 0 0 412.248 4.358 20 5 HIBDRN COc1ccc([C@@H]2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000504923897 913660657 /nfs/dbraw/zinc/66/06/57/913660657.db2.gz LUYDIMQOFBCFOM-UKRRQHHQSA-N 0 0 404.850 4.040 20 5 HIBDRN CCOc1ccc([C@@H](C)N[C@@H](c2nccn2C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000504929393 913667901 /nfs/dbraw/zinc/66/79/01/913667901.db2.gz IOCQKYQSLNRAEV-QVKFZJNVSA-N 0 0 410.474 4.176 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCCc4ccc(F)cc43)cc2)c(C)c1[N+](=O)[O-] ZINC000477497087 892502120 /nfs/dbraw/zinc/50/21/20/892502120.db2.gz AAIUAAGUOCDSMY-OAQYLSRUSA-N 0 0 422.460 4.403 20 5 HIBDRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000504932225 913672776 /nfs/dbraw/zinc/67/27/76/913672776.db2.gz ZPMVJEOTFDRBMU-CYBMUJFWSA-N 0 0 411.277 4.405 20 5 HIBDRN Cc1ccc(-c2cccnc2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000477518894 892535261 /nfs/dbraw/zinc/53/52/61/892535261.db2.gz KBKHDDKSMBZILU-UHFFFAOYSA-N 0 0 409.467 4.302 20 5 HIBDRN COc1ccccc1C[C@@H](NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(C)C ZINC000477559620 892607891 /nfs/dbraw/zinc/60/78/91/892607891.db2.gz KWKIDJORAZZKPA-MRXNPFEDSA-N 0 0 418.515 4.331 20 5 HIBDRN COc1ccc(NC(=O)CNc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 ZINC000477559988 892608683 /nfs/dbraw/zinc/60/86/83/892608683.db2.gz OUNZSXAYCUPHAC-UHFFFAOYSA-N 0 0 414.643 4.070 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)Oc4ccc(C)cc43)cc2)c(C)c1[N+](=O)[O-] ZINC000477562385 892614778 /nfs/dbraw/zinc/61/47/78/892614778.db2.gz OTJQLDORBAUSOP-OAHLLOKOSA-N 0 0 420.469 4.193 20 5 HIBDRN Cc1cc(Br)cc(C)c1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000477589900 892665445 /nfs/dbraw/zinc/66/54/45/892665445.db2.gz RBGGNFJIZUPCPC-UHFFFAOYSA-N 0 0 418.291 4.478 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000477616317 892712113 /nfs/dbraw/zinc/71/21/13/892712113.db2.gz IGBWNNVDXCXVIK-UHFFFAOYSA-N 0 0 408.283 4.143 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCc3ccccc3OC(F)F)cc2[N+](=O)[O-])C1 ZINC000477647182 892775220 /nfs/dbraw/zinc/77/52/20/892775220.db2.gz ROANALQCIFNPQU-AWEZNQCLSA-N 0 0 419.428 4.363 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C(C)(C)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000477664886 892801650 /nfs/dbraw/zinc/80/16/50/892801650.db2.gz QSADCCRHSCQQCB-UHFFFAOYSA-N 0 0 417.487 4.079 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000477670177 892803555 /nfs/dbraw/zinc/80/35/55/892803555.db2.gz FNHVNIVKKFQBMZ-NSHDSACASA-N 0 0 418.812 4.194 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000477704302 892818518 /nfs/dbraw/zinc/81/85/18/892818518.db2.gz RMHTWUMGECCCNO-GFCCVEGCSA-N 0 0 400.435 4.254 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Br)cn1 ZINC000477792108 892869950 /nfs/dbraw/zinc/86/99/50/892869950.db2.gz DGOXUXZXDPRODY-QMMMGPOBSA-N 0 0 418.169 4.262 20 5 HIBDRN Cc1c2ccccc2oc1[C@@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000477808854 892880009 /nfs/dbraw/zinc/88/00/09/892880009.db2.gz RPZUUNIUMDYWIZ-CYBMUJFWSA-N 0 0 403.460 4.073 20 5 HIBDRN COc1cc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)cc([N+](=O)[O-])c1C ZINC000477830322 892893764 /nfs/dbraw/zinc/89/37/64/892893764.db2.gz YTEPNLKNBMMFRW-MRXNPFEDSA-N 0 0 400.431 4.163 20 5 HIBDRN CCCOc1nc(C)ccc1C(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-] ZINC000477893127 892960205 /nfs/dbraw/zinc/96/02/05/892960205.db2.gz GCHHSLVMJBARMC-UHFFFAOYSA-N 0 0 403.435 4.137 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC2CCCC2)c1 ZINC000477907835 892983314 /nfs/dbraw/zinc/98/33/14/892983314.db2.gz ARPKITGEFVUKOT-HNNXBMFYSA-N 0 0 413.474 4.485 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc([N+](=O)[O-])c1C ZINC000477910241 892985532 /nfs/dbraw/zinc/98/55/32/892985532.db2.gz SCENQLIKBJZQNF-UHFFFAOYSA-N 0 0 412.471 4.374 20 5 HIBDRN COCc1ccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000477957885 893048420 /nfs/dbraw/zinc/04/84/20/893048420.db2.gz KZRXLUBAHPFGFD-IRXDYDNUSA-N 0 0 411.502 4.154 20 5 HIBDRN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000504986645 913732767 /nfs/dbraw/zinc/73/27/67/913732767.db2.gz OIWHRUJBYJHWPV-OAHLLOKOSA-N 0 0 412.833 4.318 20 5 HIBDRN CCOC(=O)c1csc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)n1 ZINC000478035746 893164562 /nfs/dbraw/zinc/16/45/62/893164562.db2.gz PIZPVYHQZJEDIE-ZDUSSCGKSA-N 0 0 413.402 4.171 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)OC)c(OC)c1 ZINC000478098652 893265625 /nfs/dbraw/zinc/26/56/25/893265625.db2.gz XLFORXKUUNLYSV-UHFFFAOYSA-N 0 0 404.444 4.144 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc3cc(F)c(C)cc3s2)cc1OC ZINC000478102942 893269919 /nfs/dbraw/zinc/26/99/19/893269919.db2.gz QXAAGLHTGZPOIF-UHFFFAOYSA-N 0 0 405.407 4.312 20 5 HIBDRN Cc1ccccc1COc1c(C)cc(CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)cc1C ZINC000478144380 893314114 /nfs/dbraw/zinc/31/41/14/893314114.db2.gz URPVZMPLKFHIPA-UHFFFAOYSA-N 0 0 422.485 4.105 20 5 HIBDRN COCC[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccco1 ZINC000505017915 913759302 /nfs/dbraw/zinc/75/93/02/913759302.db2.gz CHTKNSFCGAHSAS-NUJGCVRESA-N 0 0 415.490 4.178 20 5 HIBDRN O=C1[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000505023666 913763135 /nfs/dbraw/zinc/76/31/35/913763135.db2.gz JCDNNPJQIUYUPS-CYBMUJFWSA-N 0 0 419.224 4.472 20 5 HIBDRN Cn1cc(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000478251858 893426189 /nfs/dbraw/zinc/42/61/89/893426189.db2.gz NFCJSYMPGYEDKS-SJLPKXTDSA-N 0 0 408.433 4.201 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000478256358 893435801 /nfs/dbraw/zinc/43/58/01/893435801.db2.gz VOOADDFOWSYBHO-UHFFFAOYSA-N 0 0 410.257 4.311 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Nc2cc(Cl)c(Cl)cc2OC)c([N+](=O)[O-])c1 ZINC000478259713 893441285 /nfs/dbraw/zinc/44/12/85/893441285.db2.gz XASSXHBZMHJCRF-VIFPVBQESA-N 0 0 414.245 4.358 20 5 HIBDRN O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000478260015 893444432 /nfs/dbraw/zinc/44/44/32/893444432.db2.gz QLBXJVOCVJVPKX-QUCCMNQESA-N 0 0 411.477 4.403 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(-c3cc(F)ccc3I)n2)c1 ZINC000505031293 913772277 /nfs/dbraw/zinc/77/22/77/913772277.db2.gz WEKCJQKOBNVKCE-UHFFFAOYSA-N 0 0 411.130 4.056 20 5 HIBDRN COC(=O)c1cnc(Nc2cccc(COCc3ccc(OC)cc3)c2)c([N+](=O)[O-])c1 ZINC000478279793 893482248 /nfs/dbraw/zinc/48/22/48/893482248.db2.gz AYGVEROEFWJRKZ-UHFFFAOYSA-N 0 0 423.425 4.245 20 5 HIBDRN CSc1ccc(C(=O)N2CCc3cc(Br)cc(F)c32)cc1[N+](=O)[O-] ZINC000478404722 893690611 /nfs/dbraw/zinc/69/06/11/893690611.db2.gz HYPSMWDSGPAAGZ-UHFFFAOYSA-N 0 0 411.252 4.421 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000478426718 893724527 /nfs/dbraw/zinc/72/45/27/893724527.db2.gz GGCWVJLOUBRQEV-NRFANRHFSA-N 0 0 422.547 4.143 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000478456640 893777453 /nfs/dbraw/zinc/77/74/53/893777453.db2.gz YLLWKGFMOMGANQ-DYVFJYSZSA-N 0 0 411.285 4.320 20 5 HIBDRN Cc1nn(CCC(=O)N2CCC(C)(c3cccc(Cl)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000478464306 893788271 /nfs/dbraw/zinc/78/82/71/893788271.db2.gz RHNQDMOXIMTYMJ-UHFFFAOYSA-N 0 0 404.898 4.032 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000478469165 893795941 /nfs/dbraw/zinc/79/59/41/893795941.db2.gz QWMZICBYXFVWGE-BMIGLBTASA-N 0 0 415.298 4.232 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000505076353 913806302 /nfs/dbraw/zinc/80/63/02/913806302.db2.gz OGQGGWSSFRNJIT-MRXNPFEDSA-N 0 0 406.895 4.196 20 5 HIBDRN Cc1coc(-c2cc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)ccc2C)n1 ZINC000478507455 893819138 /nfs/dbraw/zinc/81/91/38/893819138.db2.gz MUKVNENBPIACTM-UHFFFAOYSA-N 0 0 418.413 4.008 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000505080046 913808424 /nfs/dbraw/zinc/80/84/24/913808424.db2.gz CDMPSNXUQBUIFI-CQSZACIVSA-N 0 0 406.529 4.240 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000478583022 893859480 /nfs/dbraw/zinc/85/94/80/893859480.db2.gz GFMZFOMYRDOIDZ-UHFFFAOYSA-N 0 0 415.453 4.282 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc([N+](=O)[O-])c1C ZINC000478584304 893860736 /nfs/dbraw/zinc/86/07/36/893860736.db2.gz VVCOYHZSKFWBNM-JOCHJYFZSA-N 0 0 416.437 4.308 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000505088171 913812204 /nfs/dbraw/zinc/81/22/04/913812204.db2.gz WKZZNFJUARCMMK-AWEZNQCLSA-N 0 0 415.515 4.336 20 5 HIBDRN CCc1cc(Br)ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000478605943 893871740 /nfs/dbraw/zinc/87/17/40/893871740.db2.gz HJODVTMPHRVSAZ-UHFFFAOYSA-N 0 0 415.247 4.358 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3[C@H]3CCCC3=O)cc2[N+](=O)[O-])C1 ZINC000478625906 893882908 /nfs/dbraw/zinc/88/29/08/893882908.db2.gz IWVOKMOLPKVUJZ-JFRXWTBNSA-N 0 0 413.518 4.051 20 5 HIBDRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000478635196 893887534 /nfs/dbraw/zinc/88/75/34/893887534.db2.gz RDIHDDPTCXLWIL-UHFFFAOYSA-N 0 0 420.421 4.142 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1NC(=O)N(C)C ZINC000478636499 893888325 /nfs/dbraw/zinc/88/83/25/893888325.db2.gz VCHYOMHIJPNRSC-CYBMUJFWSA-N 0 0 402.476 4.116 20 5 HIBDRN COc1cccc(F)c1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000478641050 893891302 /nfs/dbraw/zinc/89/13/02/893891302.db2.gz ZFJJKLZDNGEUNW-UHFFFAOYSA-N 0 0 404.341 4.492 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)cc([N+](=O)[O-])c1C ZINC000478671864 893923356 /nfs/dbraw/zinc/92/33/56/893923356.db2.gz FZERIRHDELPAHY-AWEZNQCLSA-N 0 0 402.447 4.199 20 5 HIBDRN CCOc1c(Cl)cccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000478677498 893929053 /nfs/dbraw/zinc/92/90/53/893929053.db2.gz FOPCTNCAFGNVPM-UHFFFAOYSA-N 0 0 400.765 4.430 20 5 HIBDRN Cc1ccccc1-n1ncc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1C(C)C ZINC000478745242 894019937 /nfs/dbraw/zinc/01/99/37/894019937.db2.gz XAWPKTKIAOLECO-UHFFFAOYSA-N 0 0 407.474 4.054 20 5 HIBDRN C[C@@H](NC(=O)N1CCc2cc(Br)cc(F)c21)c1cccc([N+](=O)[O-])c1 ZINC000478795731 894070768 /nfs/dbraw/zinc/07/07/68/894070768.db2.gz KWVQLNAMHFNAKW-SNVBAGLBSA-N 0 0 408.227 4.330 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000505133280 913834687 /nfs/dbraw/zinc/83/46/87/913834687.db2.gz BOMUVWOXUANXHR-HXUWFJFHSA-N 0 0 415.877 4.062 20 5 HIBDRN CCO[C@H]1C[C@@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C12CCC2 ZINC000478813540 894086142 /nfs/dbraw/zinc/08/61/42/894086142.db2.gz OUICFXWNRBQNBF-SJORKVTESA-N 0 0 401.488 4.138 20 5 HIBDRN Cc1c([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2C)cnn1-c1ccc(F)cc1 ZINC000478817769 894090667 /nfs/dbraw/zinc/09/06/67/894090667.db2.gz RTMAUBPVEJCSJP-AWEZNQCLSA-N 0 0 411.437 4.097 20 5 HIBDRN CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC000478833115 894110190 /nfs/dbraw/zinc/11/01/90/894110190.db2.gz GYQAWAAEMWLJLC-DYVFJYSZSA-N 0 0 418.412 4.250 20 5 HIBDRN COc1cc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc([N+](=O)[O-])c1C ZINC000478864906 894144397 /nfs/dbraw/zinc/14/43/97/894144397.db2.gz LMYFHYJXUSHMDB-UHFFFAOYSA-N 0 0 404.426 4.079 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC(N2CCCCC2=O)CC1 ZINC000478897931 894178572 /nfs/dbraw/zinc/17/85/72/894178572.db2.gz JJHSBHCVIQIMOC-UHFFFAOYSA-N 0 0 423.469 4.004 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000478907804 894188156 /nfs/dbraw/zinc/18/81/56/894188156.db2.gz MNOHMGYRQNYJRO-CQSZACIVSA-N 0 0 403.744 4.122 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1Br)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000478929744 894211707 /nfs/dbraw/zinc/21/17/07/894211707.db2.gz ACWJQMPUAMVEMH-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cccc1[N+](=O)[O-] ZINC000478964784 894243359 /nfs/dbraw/zinc/24/33/59/894243359.db2.gz ZSHLMHWPEJDHLU-QGZVFWFLSA-N 0 0 405.401 4.381 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)c1 ZINC000479066473 894329477 /nfs/dbraw/zinc/32/94/77/894329477.db2.gz VXLHRXKUJQYHTD-UHFFFAOYSA-N 0 0 413.437 4.462 20 5 HIBDRN Cc1ccc(I)cc1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000479077594 894343423 /nfs/dbraw/zinc/34/34/23/894343423.db2.gz HQOXJKMTNDZNGE-UHFFFAOYSA-N 0 0 410.211 4.377 20 5 HIBDRN COc1cc(C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)cc([N+](=O)[O-])c1C ZINC000479097198 894361890 /nfs/dbraw/zinc/36/18/90/894361890.db2.gz CAWVBGXQASXTTM-HXUWFJFHSA-N 0 0 405.454 4.329 20 5 HIBDRN Cc1c(C(=O)NC2(c3ccccc3)CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000505188541 913871074 /nfs/dbraw/zinc/87/10/74/913871074.db2.gz CJZPUXKLNWHEFJ-UHFFFAOYSA-N 0 0 405.458 4.073 20 5 HIBDRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000479191797 894459508 /nfs/dbraw/zinc/45/95/08/894459508.db2.gz PJLZXKSKNXACEB-CQSZACIVSA-N 0 0 424.866 4.250 20 5 HIBDRN COC(=O)c1ccc(OCc2ccc(OCc3ccccc3F)nc2)c([N+](=O)[O-])c1 ZINC000479207138 894472493 /nfs/dbraw/zinc/47/24/93/894472493.db2.gz DHDLPVPXAHSFJT-UHFFFAOYSA-N 0 0 412.373 4.074 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000479212968 894477944 /nfs/dbraw/zinc/47/79/44/894477944.db2.gz GOXMFWDOGPLDEY-UHFFFAOYSA-N 0 0 404.451 4.194 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000505191093 913873275 /nfs/dbraw/zinc/87/32/75/913873275.db2.gz SKUMITJEYVRIPW-RBUKOAKNSA-N 0 0 402.472 4.008 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Cc2ccc(OCc3ccccn3)cc2)cc1[N+](=O)[O-] ZINC000505197517 913876964 /nfs/dbraw/zinc/87/69/64/913876964.db2.gz NJVSSAGVGGMJOG-KRWDZBQOSA-N 0 0 405.454 4.297 20 5 HIBDRN C[C@H]1CCCCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000479270618 894544696 /nfs/dbraw/zinc/54/46/96/894544696.db2.gz VNTCUWSHCHRLPN-INIZCTEOSA-N 0 0 409.486 4.154 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000505204037 913882188 /nfs/dbraw/zinc/88/21/88/913882188.db2.gz MKAQSPYEGOIFDS-UHFFFAOYSA-N 0 0 419.840 4.187 20 5 HIBDRN CCCN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCCc2cccnc21 ZINC000479350736 894647385 /nfs/dbraw/zinc/64/73/85/894647385.db2.gz RVSQIXOJVUFXIV-LJQANCHMSA-N 0 0 420.469 4.233 20 5 HIBDRN CC(C)CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCc2cccnc21 ZINC000479354112 894650677 /nfs/dbraw/zinc/65/06/77/894650677.db2.gz DNVZLPMIGYZMNA-OAQYLSRUSA-N 0 0 419.485 4.351 20 5 HIBDRN CC(=O)Nc1sc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)nc1-c1ccccc1 ZINC000479357105 894654635 /nfs/dbraw/zinc/65/46/35/894654635.db2.gz HQVSQBMCRUAJQC-UHFFFAOYSA-N 0 0 421.438 4.410 20 5 HIBDRN CC(C)CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCc2cccnc21 ZINC000479376474 894677148 /nfs/dbraw/zinc/67/71/48/894677148.db2.gz HUEAXXBOZWYQBT-FQEVSTJZSA-N 0 0 420.469 4.419 20 5 HIBDRN CCC(=O)c1ccc(NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000479379483 894680640 /nfs/dbraw/zinc/68/06/40/894680640.db2.gz QOGLHBCFGHJDNP-CQSZACIVSA-N 0 0 412.364 4.058 20 5 HIBDRN CCC(=O)c1ccc(NC[C@H](O)COc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000479384729 894686222 /nfs/dbraw/zinc/68/62/22/894686222.db2.gz WYIGYHXNYPBHIL-AWEZNQCLSA-N 0 0 412.364 4.058 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ncc(Cl)cn3)CC2)s1 ZINC000479443597 894758343 /nfs/dbraw/zinc/75/83/43/894758343.db2.gz ZAIVYHMDXWOAAC-UHFFFAOYSA-N 0 0 415.906 4.089 20 5 HIBDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000479444320 894760662 /nfs/dbraw/zinc/76/06/62/894760662.db2.gz XGVLFPVLXJLWKQ-UHFFFAOYSA-N 0 0 420.487 4.005 20 5 HIBDRN Cc1c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1Cl ZINC000479469286 894792312 /nfs/dbraw/zinc/79/23/12/894792312.db2.gz GFEFDSHMZXHLNM-UHFFFAOYSA-N 0 0 419.268 4.368 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000479489821 894810647 /nfs/dbraw/zinc/81/06/47/894810647.db2.gz SVPWYXRUCIDUHH-UHFFFAOYSA-N 0 0 410.499 4.439 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000479539445 894843474 /nfs/dbraw/zinc/84/34/74/894843474.db2.gz HXSDZLAERCLKEM-MRXNPFEDSA-N 0 0 404.513 4.300 20 5 HIBDRN CCOC[C@@H]1CCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000505258150 913913792 /nfs/dbraw/zinc/91/37/92/913913792.db2.gz RHXZOLBJGFFROD-CQSZACIVSA-N 0 0 421.544 4.400 20 5 HIBDRN O=C(NCCc1nc(-c2ccncc2)cs1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000479677098 894960107 /nfs/dbraw/zinc/96/01/07/894960107.db2.gz WGWYISCQWYGRIA-UHFFFAOYSA-N 0 0 422.388 4.105 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1noc(C)n1 ZINC000505263847 913920541 /nfs/dbraw/zinc/92/05/41/913920541.db2.gz HTFIVAHJPRPYMY-IBGZPJMESA-N 0 0 424.457 4.112 20 5 HIBDRN O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479695049 894982582 /nfs/dbraw/zinc/98/25/82/894982582.db2.gz UVMYHWBAHIPGHJ-UHFFFAOYSA-N 0 0 417.303 4.193 20 5 HIBDRN Cn1cc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2)cn1 ZINC000479708379 895003477 /nfs/dbraw/zinc/00/34/77/895003477.db2.gz WJYRPUNSVXIFKX-KRWDZBQOSA-N 0 0 403.801 4.032 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000479746443 895045742 /nfs/dbraw/zinc/04/57/42/895045742.db2.gz OKLYMEMQSMEGOB-HNNXBMFYSA-N 0 0 400.454 4.389 20 5 HIBDRN COc1cccc(Cc2nnc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)o2)c1 ZINC000479786190 895089442 /nfs/dbraw/zinc/08/94/42/895089442.db2.gz UPVSSCHRIRNPJA-UHFFFAOYSA-N 0 0 406.398 4.449 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)cc1SC ZINC000479787799 895091138 /nfs/dbraw/zinc/09/11/38/895091138.db2.gz MNWBHWAQXLJWMW-VOJFVSQTSA-N 0 0 424.906 4.485 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC000479815490 895127335 /nfs/dbraw/zinc/12/73/35/895127335.db2.gz WFDCRQVOXLYOEQ-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000479821301 895135783 /nfs/dbraw/zinc/13/57/83/895135783.db2.gz XKCPNWAXQAPWKR-CYBMUJFWSA-N 0 0 408.380 4.322 20 5 HIBDRN O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479837573 895162683 /nfs/dbraw/zinc/16/26/83/895162683.db2.gz MBZPWZCUDOJOKT-BBRMVZONSA-N 0 0 416.359 4.085 20 5 HIBDRN Cc1cc(Br)cc(Cl)c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000479843365 895172824 /nfs/dbraw/zinc/17/28/24/895172824.db2.gz UHVQNEOTFCPLOV-UHFFFAOYSA-N 0 0 412.671 4.161 20 5 HIBDRN CCC(=O)c1ccc(N[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c([N+](=O)[O-])c1 ZINC000479934592 895283622 /nfs/dbraw/zinc/28/36/22/895283622.db2.gz XJKSMFPRTOHWMN-NRFANRHFSA-N 0 0 424.457 4.140 20 5 HIBDRN CCC(=O)c1ccc(Sc2n[nH]c(-c3ccc(OC)cc3OC)n2)c([N+](=O)[O-])c1 ZINC000479966948 895321631 /nfs/dbraw/zinc/32/16/31/895321631.db2.gz SAEAYKJKCISSKX-UHFFFAOYSA-N 0 0 414.443 4.141 20 5 HIBDRN C[C@@H](N[C@@H](c1nccs1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479976732 895329320 /nfs/dbraw/zinc/32/93/20/895329320.db2.gz GICQZMMFMREULH-SJKOYZFVSA-N 0 0 416.890 4.411 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000480027188 895375960 /nfs/dbraw/zinc/37/59/60/895375960.db2.gz TTYUREBDZZZGJM-OAHLLOKOSA-N 0 0 404.426 4.095 20 5 HIBDRN COc1cc(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)c([N+](=O)[O-])cc1OC ZINC000480051716 895400441 /nfs/dbraw/zinc/40/04/41/895400441.db2.gz SDMFFGYKWIYFRQ-UHFFFAOYSA-N 0 0 415.446 4.157 20 5 HIBDRN Cc1c(CNC(=O)Nc2cc(F)ccc2OCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000480056213 895404909 /nfs/dbraw/zinc/40/49/09/895404909.db2.gz IGACUGIGLYQDCN-UHFFFAOYSA-N 0 0 401.316 4.305 20 5 HIBDRN Cc1c(CNC(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000480067617 895418253 /nfs/dbraw/zinc/41/82/53/895418253.db2.gz MVJNGXMUQWEZNX-AZUAARDMSA-N 0 0 401.438 4.104 20 5 HIBDRN CCC(=O)c1ccc(N[C@@H](CC)c2ccccc2OCC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000480075500 895428638 /nfs/dbraw/zinc/42/86/38/895428638.db2.gz SSIAFDQOMDXRMJ-KRWDZBQOSA-N 0 0 413.474 4.218 20 5 HIBDRN CC(C)(C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000480086141 895446419 /nfs/dbraw/zinc/44/64/19/895446419.db2.gz BOSSPQXURHOOSE-UHFFFAOYSA-N 0 0 420.256 4.399 20 5 HIBDRN CCOc1ccc(NC(=O)CNc2ccccc2-c2csc(C)n2)c([N+](=O)[O-])c1 ZINC000480137244 895515250 /nfs/dbraw/zinc/51/52/50/895515250.db2.gz QEPDPJBFKKLYFN-UHFFFAOYSA-N 0 0 412.471 4.476 20 5 HIBDRN COc1cc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc([N+](=O)[O-])c1C ZINC000480168957 895558373 /nfs/dbraw/zinc/55/83/73/895558373.db2.gz LNHMNDDZGKKQFB-HNNXBMFYSA-N 0 0 409.442 4.459 20 5 HIBDRN C[C@@H]1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000480169271 895561200 /nfs/dbraw/zinc/56/12/00/895561200.db2.gz LBFRPZFTSKMNNO-SJORKVTESA-N 0 0 404.470 4.247 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000480205903 895607523 /nfs/dbraw/zinc/60/75/23/895607523.db2.gz XVOGUHSQTQELNM-VIFPVBQESA-N 0 0 410.352 4.208 20 5 HIBDRN CCCOc1ccc(CN(Cc2ccccc2)C(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000480206660 895609818 /nfs/dbraw/zinc/60/98/18/895609818.db2.gz OXFQIXCKUYZFPO-UHFFFAOYSA-N 0 0 422.485 4.268 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)C[C@H]1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000480285919 895690325 /nfs/dbraw/zinc/69/03/25/895690325.db2.gz BVKTWTCRDRONHV-LAUBAEHRSA-N 0 0 424.497 4.289 20 5 HIBDRN Cc1ccc2ncnc(Oc3ccc(I)cc3[N+](=O)[O-])c2c1 ZINC000480292722 895697686 /nfs/dbraw/zinc/69/76/86/895697686.db2.gz VUAZJEBLVLFGHH-UHFFFAOYSA-N 0 0 407.167 4.243 20 5 HIBDRN COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2nccn2C)c1 ZINC000480333426 895736542 /nfs/dbraw/zinc/73/65/42/895736542.db2.gz IBHJOOJTUONOQF-BTYIYWSLSA-N 0 0 410.474 4.094 20 5 HIBDRN Cc1[nH]c2c(cc(C)cc2CNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])c1C ZINC000480340521 895744820 /nfs/dbraw/zinc/74/48/20/895744820.db2.gz WMKIVRCWICRKGC-UHFFFAOYSA-N 0 0 422.485 4.086 20 5 HIBDRN CC[C@H](N[C@@H](c1nccn1C)c1cc(OC)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000480344043 895749671 /nfs/dbraw/zinc/74/96/71/895749671.db2.gz VLWGKKOGYWLZPI-LEWJYISDSA-N 0 0 410.474 4.176 20 5 HIBDRN CC[C@@H](N[C@@H](c1nccn1C)c1cc(OC)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000480344045 895750287 /nfs/dbraw/zinc/75/02/87/895750287.db2.gz VLWGKKOGYWLZPI-NHCUHLMSSA-N 0 0 410.474 4.176 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H](OCc2ccccc2F)C1 ZINC000480370230 895778333 /nfs/dbraw/zinc/77/83/33/895778333.db2.gz KWKOCYUAYLTDKF-AWEZNQCLSA-N 0 0 410.243 4.077 20 5 HIBDRN Cc1cc(N2CCCC2)ccc1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480399480 895803602 /nfs/dbraw/zinc/80/36/02/895803602.db2.gz XDJWLFKUOUWQHK-UHFFFAOYSA-N 0 0 405.458 4.212 20 5 HIBDRN CCS[C@@H]1CCCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000480430589 895824044 /nfs/dbraw/zinc/82/40/44/895824044.db2.gz IHYFCDYPTICUEZ-CYBMUJFWSA-N 0 0 406.426 4.284 20 5 HIBDRN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480432519 895825152 /nfs/dbraw/zinc/82/51/52/895825152.db2.gz AJHMJBSURNTOBU-YJBOKZPZSA-N 0 0 421.236 4.378 20 5 HIBDRN COC(=O)COc1ccc(CNc2cc(Cl)c(Cl)cc2OC)cc1[N+](=O)[O-] ZINC000480439874 895830764 /nfs/dbraw/zinc/83/07/64/895830764.db2.gz CTNINMYDHRJAGT-UHFFFAOYSA-N 0 0 415.229 4.074 20 5 HIBDRN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480440120 895830921 /nfs/dbraw/zinc/83/09/21/895830921.db2.gz STZAEZFAESLQJH-ROUUACIJSA-N 0 0 420.252 4.113 20 5 HIBDRN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480445982 895834268 /nfs/dbraw/zinc/83/42/68/895834268.db2.gz XTLJRCFGIAZAGF-SJLPKXTDSA-N 0 0 420.252 4.113 20 5 HIBDRN Cc1ccc(CN2CC[C@@H](NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000480464691 895848392 /nfs/dbraw/zinc/84/83/92/895848392.db2.gz HQKXTRBRAFUVLP-OAQYLSRUSA-N 0 0 405.454 4.054 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(Cl)s1 ZINC000480467804 895851045 /nfs/dbraw/zinc/85/10/45/895851045.db2.gz WZFLQDHJSJETEU-UHFFFAOYSA-N 0 0 400.909 4.021 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000480497939 895868841 /nfs/dbraw/zinc/86/88/41/895868841.db2.gz NRZPEOOPZVEEPL-ACJLOTCBSA-N 0 0 409.483 4.107 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000480497944 895868846 /nfs/dbraw/zinc/86/88/46/895868846.db2.gz NRZPEOOPZVEEPL-UGSOOPFHSA-N 0 0 409.483 4.107 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000480502685 895871288 /nfs/dbraw/zinc/87/12/88/895871288.db2.gz YSQYFNZQVHWLCO-UHFFFAOYSA-N 0 0 415.515 4.226 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000505353288 914019281 /nfs/dbraw/zinc/01/92/81/914019281.db2.gz OIYHZXQDYBLZIR-NVXWUHKLSA-N 0 0 410.449 4.366 20 5 HIBDRN COc1ccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1Oc1ccc(C)nn1 ZINC000480600531 895965029 /nfs/dbraw/zinc/96/50/29/895965029.db2.gz IVKWJDQEKHIWAB-UHFFFAOYSA-N 0 0 424.413 4.063 20 5 HIBDRN COCCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000480613007 895978649 /nfs/dbraw/zinc/97/86/49/895978649.db2.gz LVSFYAHONJAMPV-KRWDZBQOSA-N 0 0 412.895 4.085 20 5 HIBDRN Cc1ccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccn2)cc1 ZINC000480634610 896004768 /nfs/dbraw/zinc/00/47/68/896004768.db2.gz UTOLSTDLLVLWJM-LJQANCHMSA-N 0 0 417.874 4.020 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000480697717 896060454 /nfs/dbraw/zinc/06/04/54/896060454.db2.gz BTAPPZGDQIDPBA-UHFFFAOYSA-N 0 0 401.366 4.295 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000480768049 896129690 /nfs/dbraw/zinc/12/96/90/896129690.db2.gz JMJXRMNCEVDUEL-UHFFFAOYSA-N 0 0 402.394 4.047 20 5 HIBDRN CCNc1cc(C)ccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000480792866 896160360 /nfs/dbraw/zinc/16/03/60/896160360.db2.gz FHHZRMCQFMYBNR-UHFFFAOYSA-N 0 0 407.474 4.449 20 5 HIBDRN O=C(Nc1ccc(Oc2cccnc2)nc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480832051 896205515 /nfs/dbraw/zinc/20/55/15/896205515.db2.gz JXMMVBTYAGHLPM-UHFFFAOYSA-N 0 0 405.414 4.374 20 5 HIBDRN COC(=O)c1cc(Cl)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480834547 896209104 /nfs/dbraw/zinc/20/91/04/896209104.db2.gz QSXNXHRYZLZIME-UHFFFAOYSA-N 0 0 403.822 4.231 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cncc(Cl)c1Cl ZINC000480857819 896224979 /nfs/dbraw/zinc/22/49/79/896224979.db2.gz QDXAQRQEXPUELF-UHFFFAOYSA-N 0 0 405.035 4.240 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c([N+](=O)[O-])cc1OC ZINC000505384943 914049254 /nfs/dbraw/zinc/04/92/54/914049254.db2.gz TVCUYFOAGDSZLL-UHFFFAOYSA-N 0 0 406.394 4.095 20 5 HIBDRN CC(C)(C)[C@H]1C[C@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000480918308 896277014 /nfs/dbraw/zinc/27/70/14/896277014.db2.gz UJXQDEPDQAPPSI-IUODEOHRSA-N 0 0 420.453 4.416 20 5 HIBDRN CC(C)(C)[C@@H]1C[C@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000480918307 896277292 /nfs/dbraw/zinc/27/72/92/896277292.db2.gz UJXQDEPDQAPPSI-DOMZBBRYSA-N 0 0 420.453 4.416 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1C ZINC000480935644 896286021 /nfs/dbraw/zinc/28/60/21/896286021.db2.gz ZWYJWMOCTGGICM-CYBMUJFWSA-N 0 0 405.501 4.203 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2)c1C ZINC000480950212 896293934 /nfs/dbraw/zinc/29/39/34/896293934.db2.gz HZEPXYKQFPLNJP-UHFFFAOYSA-N 0 0 400.456 4.196 20 5 HIBDRN Cc1ccc2c(c1)CCN(C(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)C2 ZINC000480995903 896327639 /nfs/dbraw/zinc/32/76/39/896327639.db2.gz YDVGICHORNGRFY-UHFFFAOYSA-N 0 0 404.416 4.466 20 5 HIBDRN C[C@@H](NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000481060461 896383215 /nfs/dbraw/zinc/38/32/15/896383215.db2.gz PXRVQMZPNSJYTG-DIFFPNOSSA-N 0 0 412.273 4.386 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C2CC2)C1 ZINC000481076604 896396103 /nfs/dbraw/zinc/39/61/03/896396103.db2.gz FPFUZIQJMZHOLF-LJQANCHMSA-N 0 0 416.481 4.249 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000481100354 896424428 /nfs/dbraw/zinc/42/44/28/896424428.db2.gz HHYQJKXDOUVPGF-DYVFJYSZSA-N 0 0 420.412 4.176 20 5 HIBDRN CSc1ccc(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)cc1[N+](=O)[O-] ZINC000481132446 896459127 /nfs/dbraw/zinc/45/91/27/896459127.db2.gz FKYISELNCJVQQT-UHFFFAOYSA-N 0 0 410.499 4.092 20 5 HIBDRN CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3C)ccc2C)ccn1 ZINC000481178419 896515987 /nfs/dbraw/zinc/51/59/87/896515987.db2.gz PWWIKGFIGMPDMR-UHFFFAOYSA-N 0 0 420.425 4.011 20 5 HIBDRN COC(=O)CCSCc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000505412351 914075135 /nfs/dbraw/zinc/07/51/35/914075135.db2.gz AAFQVKJIWXLLAI-UHFFFAOYSA-N 0 0 413.455 4.125 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@@H](C)C1CCCCC1 ZINC000481191895 896543307 /nfs/dbraw/zinc/54/33/07/896543307.db2.gz PMIZZHVLCAGXNX-KGLIPLIRSA-N 0 0 417.535 4.209 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000505415479 914079649 /nfs/dbraw/zinc/07/96/49/914079649.db2.gz OVSZENSWBIRVJD-KRWDZBQOSA-N 0 0 413.302 4.317 20 5 HIBDRN CC[C@H](C)Cc1c(C)sc2[nH]c(SCCn3ccc([N+](=O)[O-])n3)nc(=O)c12 ZINC000481253013 896604269 /nfs/dbraw/zinc/60/42/69/896604269.db2.gz DGARXESSUXYINH-JTQLQIEISA-N 0 0 407.521 4.191 20 5 HIBDRN COC(=O)CCSCc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c1 ZINC000505419447 914084010 /nfs/dbraw/zinc/08/40/10/914084010.db2.gz FHPJOKMBIGCVEN-UHFFFAOYSA-N 0 0 413.455 4.125 20 5 HIBDRN CC(C)[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 ZINC000481301141 896645087 /nfs/dbraw/zinc/64/50/87/896645087.db2.gz NSZQLGIJUBDRAK-PMACEKPBSA-N 0 0 417.893 4.285 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481339507 896704543 /nfs/dbraw/zinc/70/45/43/896704543.db2.gz MFEKRWUGLQKVDJ-CKEIUWERSA-N 0 0 417.535 4.049 20 5 HIBDRN CCc1oc(C(=O)OC)cc1CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000481342764 896708780 /nfs/dbraw/zinc/70/87/80/896708780.db2.gz QTAMXMKJVOESNW-UHFFFAOYSA-N 0 0 416.459 4.108 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC000481376459 896772676 /nfs/dbraw/zinc/77/26/76/896772676.db2.gz QMGSVFUFOFKYPJ-UHFFFAOYSA-N 0 0 416.850 4.115 20 5 HIBDRN Cc1c(CNC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000481473786 896860943 /nfs/dbraw/zinc/86/09/43/896860943.db2.gz AMBKJAALVMPHPR-UHFFFAOYSA-N 0 0 422.338 4.177 20 5 HIBDRN Cc1c(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cccc1[N+](=O)[O-] ZINC000481500783 896874609 /nfs/dbraw/zinc/87/46/09/896874609.db2.gz GSWDSLKCZKXYQU-UHFFFAOYSA-N 0 0 423.375 4.106 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCCCC[C@@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000481588655 896968575 /nfs/dbraw/zinc/96/85/75/896968575.db2.gz YVIZIAHPWPNFJV-GOSISDBHSA-N 0 0 417.531 4.319 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCCC ZINC000481592663 896971288 /nfs/dbraw/zinc/97/12/88/896971288.db2.gz ALYRMUBIIYUEIS-LJQANCHMSA-N 0 0 409.483 4.061 20 5 HIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000481632160 897015711 /nfs/dbraw/zinc/01/57/11/897015711.db2.gz XYVYWRKPTJXFHL-UHFFFAOYSA-N 0 0 411.245 4.224 20 5 HIBDRN CC(=O)Nc1cccc(Nc2nnc(Sc3nc(C)ccc3[N+](=O)[O-])s2)c1 ZINC000481701491 897089643 /nfs/dbraw/zinc/08/96/43/897089643.db2.gz DMKYPWBFXGKPIU-UHFFFAOYSA-N 0 0 402.461 4.003 20 5 HIBDRN CCOC(=O)c1ccc(F)c(C)c1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000505456685 914126740 /nfs/dbraw/zinc/12/67/40/914126740.db2.gz CVQPQNDCGCKTHO-LBPRGKRZSA-N 0 0 406.435 4.338 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)S1=O ZINC000481733336 897127847 /nfs/dbraw/zinc/12/78/47/897127847.db2.gz FAKKOLPVRAKZPX-STQMWFEESA-N 0 0 422.890 4.022 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1oc(C)nc1C ZINC000481734327 897129388 /nfs/dbraw/zinc/12/93/88/897129388.db2.gz KCBKSHSMKLECSR-UHFFFAOYSA-N 0 0 415.427 4.357 20 5 HIBDRN COC(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000481736504 897131320 /nfs/dbraw/zinc/13/13/20/897131320.db2.gz CBKMCPLKAHIWPE-FQEVSTJZSA-N 0 0 408.385 4.040 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000505460015 914130410 /nfs/dbraw/zinc/13/04/10/914130410.db2.gz KNQJZVKULAPNKE-XUZZJYLKSA-N 0 0 418.497 4.467 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000481742814 897137025 /nfs/dbraw/zinc/13/70/25/897137025.db2.gz OLUCOLLQIJTDAX-QFIPXVFZSA-N 0 0 416.412 4.439 20 5 HIBDRN CCOc1cc(N2CCN(Cc3csc(-c4ccoc4)n3)CC2)ccc1[N+](=O)[O-] ZINC000481762395 897150318 /nfs/dbraw/zinc/15/03/18/897150318.db2.gz SSJOVGUFNVKEOB-UHFFFAOYSA-N 0 0 414.487 4.032 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000481768284 897153336 /nfs/dbraw/zinc/15/33/36/897153336.db2.gz GYSVOCXFBMISBO-UHFFFAOYSA-N 0 0 417.487 4.180 20 5 HIBDRN CCOc1cc(N2CCN(Cc3cc(-c4cccs4)on3)CC2)ccc1[N+](=O)[O-] ZINC000481783276 897165434 /nfs/dbraw/zinc/16/54/34/897165434.db2.gz OHPPDUPTGXTKSZ-UHFFFAOYSA-N 0 0 414.487 4.032 20 5 HIBDRN O=C(NCc1ccc(Br)cc1C(F)(F)F)c1csc([N+](=O)[O-])c1 ZINC000481811292 897185981 /nfs/dbraw/zinc/18/59/81/897185981.db2.gz YFHANPGGHVBTPT-UHFFFAOYSA-N 0 0 409.183 4.368 20 5 HIBDRN CCOc1ccc(-n2c(Sc3ccccc3[N+](=O)[O-])nnc2-c2cnccn2)cc1 ZINC000481822555 897193384 /nfs/dbraw/zinc/19/33/84/897193384.db2.gz HMLOUSSGFKOGNY-UHFFFAOYSA-N 0 0 420.454 4.182 20 5 HIBDRN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000481857133 897224267 /nfs/dbraw/zinc/22/42/67/897224267.db2.gz QNYFNANCCUIJGN-UHFFFAOYSA-N 0 0 406.398 4.074 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000481882890 897255348 /nfs/dbraw/zinc/25/53/48/897255348.db2.gz GBWLQFNGQYUOSM-OAQYLSRUSA-N 0 0 407.474 4.098 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])Cc1ncc(Br)cc1Br ZINC000481886537 897260049 /nfs/dbraw/zinc/26/00/49/897260049.db2.gz AOLUGLWAQAMDON-UHFFFAOYSA-N 0 0 415.085 4.147 20 5 HIBDRN Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2cc([N+](=O)[O-])nn2C)c(C)c1 ZINC000481900348 897280290 /nfs/dbraw/zinc/28/02/90/897280290.db2.gz YTTZBWIIVBJRPJ-UHFFFAOYSA-N 0 0 416.441 4.050 20 5 HIBDRN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1[nH]ncc1[N+](=O)[O-] ZINC000481916993 897300835 /nfs/dbraw/zinc/30/08/35/897300835.db2.gz GQDZSMWIWWCEPP-CQSZACIVSA-N 0 0 409.833 4.015 20 5 HIBDRN COC(=O)c1cc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000481944487 897330732 /nfs/dbraw/zinc/33/07/32/897330732.db2.gz PLFWNTOGORYJHD-UHFFFAOYSA-N 0 0 422.393 4.191 20 5 HIBDRN COC(=O)c1cc(OCC(=O)Nc2ccccc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000481946312 897333880 /nfs/dbraw/zinc/33/38/80/897333880.db2.gz VDMSNZPQALJPPO-UHFFFAOYSA-N 0 0 406.394 4.066 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1SC ZINC000481954565 897344013 /nfs/dbraw/zinc/34/40/13/897344013.db2.gz XJZJOOJFSMVKSM-CYBMUJFWSA-N 0 0 422.528 4.208 20 5 HIBDRN COC(=O)c1cc(OCc2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1[N+](=O)[O-] ZINC000481961858 897351855 /nfs/dbraw/zinc/35/18/55/897351855.db2.gz NKMXYJUKRHXPAA-UHFFFAOYSA-N 0 0 424.196 4.317 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)n1 ZINC000481971063 897362779 /nfs/dbraw/zinc/36/27/79/897362779.db2.gz RYFXLXOACAVHLO-NSHDSACASA-N 0 0 401.776 4.056 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000481979640 897371909 /nfs/dbraw/zinc/37/19/09/897371909.db2.gz HRALPJYRDODETR-UHFFFAOYSA-N 0 0 419.437 4.162 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1SC ZINC000481996511 897394149 /nfs/dbraw/zinc/39/41/49/897394149.db2.gz DFGQDIAGKKUFQO-CYBMUJFWSA-N 0 0 408.476 4.431 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H](CO)c2cccc(Br)c2)cc1OC(F)F ZINC000482006706 897405354 /nfs/dbraw/zinc/40/53/54/897405354.db2.gz HSOINSYFBRDSFQ-GFCCVEGCSA-N 0 0 403.179 4.104 20 5 HIBDRN COc1cc(Cl)c(Cl)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000482030013 897439755 /nfs/dbraw/zinc/43/97/55/897439755.db2.gz FGUHHCAWMHAGCF-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)c1[N+](=O)[O-] ZINC000482055104 897481429 /nfs/dbraw/zinc/48/14/29/897481429.db2.gz KRXNLHWJIJJKNQ-UHFFFAOYSA-N 0 0 410.261 4.202 20 5 HIBDRN O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000505483980 914165590 /nfs/dbraw/zinc/16/55/90/914165590.db2.gz NYXQUZAFYVWHNR-GDBMZVCRSA-N 0 0 416.359 4.085 20 5 HIBDRN CCS[C@H](C)c1noc(CN(C)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000482088575 897531727 /nfs/dbraw/zinc/53/17/27/897531727.db2.gz KTFVZOWGTAPNSG-SECBINFHSA-N 0 0 401.286 4.191 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000482130996 897589268 /nfs/dbraw/zinc/58/92/68/897589268.db2.gz VNZHBRBPTVDLTB-ZHRRBRCNSA-N 0 0 416.543 4.455 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC[C@H](C(F)(F)F)[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000482177322 897646414 /nfs/dbraw/zinc/64/64/14/897646414.db2.gz MLFQBVKPPZLUIH-GUYCJALGSA-N 0 0 424.423 4.259 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000505497469 914181963 /nfs/dbraw/zinc/18/19/63/914181963.db2.gz AGMGYPRXGQDPHD-OFNKIYASSA-N 0 0 404.470 4.077 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000482425110 897977005 /nfs/dbraw/zinc/97/70/05/897977005.db2.gz RDOUABGVYKSDPP-AWEZNQCLSA-N 0 0 419.306 4.299 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000482425112 897977696 /nfs/dbraw/zinc/97/76/96/897977696.db2.gz RDOUABGVYKSDPP-CQSZACIVSA-N 0 0 419.306 4.299 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCCc3c(C)cccc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000482428275 897982636 /nfs/dbraw/zinc/98/26/36/897982636.db2.gz SQMXIAODBNUUSC-UHFFFAOYSA-N 0 0 406.486 4.046 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000482486951 898066994 /nfs/dbraw/zinc/06/69/94/898066994.db2.gz NOLVVKYPBMKKMS-CYBMUJFWSA-N 0 0 408.254 4.369 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cc(F)ccc2OCC2CC2)cc1[N+](=O)[O-] ZINC000482494857 898074111 /nfs/dbraw/zinc/07/41/11/898074111.db2.gz LIKVHOQXJBBJFJ-UHFFFAOYSA-N 0 0 420.462 4.403 20 5 HIBDRN COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1cccc(F)c1 ZINC000482519234 898107191 /nfs/dbraw/zinc/10/71/91/898107191.db2.gz MRYNJQCEKYCMAW-UHFFFAOYSA-N 0 0 423.400 4.176 20 5 HIBDRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(Cl)ccc1OC(F)F ZINC000482568437 898161566 /nfs/dbraw/zinc/16/15/66/898161566.db2.gz ZFJCBNQQIPJBJP-UHFFFAOYSA-N 0 0 414.748 4.263 20 5 HIBDRN Cc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)nn1-c1ccc(F)cc1F ZINC000505535325 914230575 /nfs/dbraw/zinc/23/05/75/914230575.db2.gz CBWNZNBIGVLDHR-UHFFFAOYSA-N 0 0 412.396 4.172 20 5 HIBDRN Cc1nn(CCC(=O)N(Cc2ccco2)c2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000482625726 898229699 /nfs/dbraw/zinc/22/96/99/898229699.db2.gz WNQBPNFSUHKKFZ-UHFFFAOYSA-N 0 0 402.838 4.278 20 5 HIBDRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000482659614 898262320 /nfs/dbraw/zinc/26/23/20/898262320.db2.gz TYPMZWPMPDRFIZ-LBPRGKRZSA-N 0 0 424.270 4.269 20 5 HIBDRN CCOc1cc(NC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OCC ZINC000482699480 898299146 /nfs/dbraw/zinc/29/91/46/898299146.db2.gz NTBLTUGKSBJZOZ-CQSZACIVSA-N 0 0 417.462 4.193 20 5 HIBDRN CCc1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000482701192 898300319 /nfs/dbraw/zinc/30/03/19/898300319.db2.gz VCJYKPFSOPSNMY-UHFFFAOYSA-N 0 0 416.441 4.089 20 5 HIBDRN 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C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000484639199 900086727 /nfs/dbraw/zinc/08/67/27/900086727.db2.gz NSWJQXNOAMRSAV-SNVBAGLBSA-N 0 0 415.302 4.006 20 5 HIBDRN COc1cc(COc2ccccc2NC(=O)COc2ccccc2)ccc1[N+](=O)[O-] ZINC000484661448 900106291 /nfs/dbraw/zinc/10/62/91/900106291.db2.gz CLYMUIQISOOQNP-UHFFFAOYSA-N 0 0 408.410 4.200 20 5 HIBDRN O=C(Nc1ncc(-c2ccccc2)cn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000484701203 900136768 /nfs/dbraw/zinc/13/67/68/900136768.db2.gz KFRSSAQQHDABJU-UHFFFAOYSA-N 0 0 403.423 4.428 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000484712186 900144630 /nfs/dbraw/zinc/14/46/30/900144630.db2.gz FJYDEZJVAHMUFN-UHFFFAOYSA-N 0 0 410.449 4.347 20 5 HIBDRN C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2cccnc2)cc1 ZINC000484714417 900147918 /nfs/dbraw/zinc/14/79/18/900147918.db2.gz MEDAOSSHXNYRLT-MRXNPFEDSA-N 0 0 406.442 4.385 20 5 HIBDRN O=C(NCc1cc(Br)ccc1F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000484768561 900182234 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900499637 /nfs/dbraw/zinc/49/96/37/900499637.db2.gz RKBIHJJJLLIRDL-IRXDYDNUSA-N 0 0 419.359 4.282 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(C)(C)C(=O)OC)cs1 ZINC000485227181 900513030 /nfs/dbraw/zinc/51/30/30/900513030.db2.gz BDJRWXZYSXCWCQ-UHFFFAOYSA-N 0 0 423.516 4.256 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000505787113 914452279 /nfs/dbraw/zinc/45/22/79/914452279.db2.gz KQCMKFIZQBEFPO-UHFFFAOYSA-N 0 0 422.510 4.481 20 5 HIBDRN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)C(F)(F)F ZINC000485251544 900536742 /nfs/dbraw/zinc/53/67/42/900536742.db2.gz CMZQDKUMDLRYHF-QGZVFWFLSA-N 0 0 404.348 4.156 20 5 HIBDRN C[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000485268765 900550332 /nfs/dbraw/zinc/55/03/32/900550332.db2.gz SBQNVXLJHDDNJS-SECBINFHSA-N 0 0 401.307 4.216 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000505788989 914453712 /nfs/dbraw/zinc/45/37/12/914453712.db2.gz 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COc1cc([N+](=O)[O-])ccc1CSc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000485382582 900678707 /nfs/dbraw/zinc/67/87/07/900678707.db2.gz XXMAOLGNAVALEI-UHFFFAOYSA-N 0 0 411.418 4.164 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000485381332 900678842 /nfs/dbraw/zinc/67/88/42/900678842.db2.gz HVPZXGMZYFOLEI-KGLIPLIRSA-N 0 0 401.444 4.190 20 5 HIBDRN Cc1ccnc(-c2n[nH]c([C@@H](C)Nc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)n2)c1 ZINC000485410650 900707902 /nfs/dbraw/zinc/70/79/02/900707902.db2.gz RBRLLYIIFNBIGK-CYBMUJFWSA-N 0 0 419.420 4.458 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3cc(Br)ccn3)cc2[N+](=O)[O-])CC1 ZINC000485472785 900766627 /nfs/dbraw/zinc/76/66/27/900766627.db2.gz XUKNJNNBDRDCOY-UHFFFAOYSA-N 0 0 419.279 4.241 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000485479924 900773635 /nfs/dbraw/zinc/77/36/35/900773635.db2.gz KUDCXXFDVLBIFY-QGZVFWFLSA-N 0 0 403.401 4.204 20 5 HIBDRN CSc1cccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1[N+](=O)[O-] ZINC000485485314 900777173 /nfs/dbraw/zinc/77/71/73/900777173.db2.gz ARNIYYGQMFUXBR-OAHLLOKOSA-N 0 0 424.425 4.132 20 5 HIBDRN COc1cc(F)c([C@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC ZINC000485510299 900796331 /nfs/dbraw/zinc/79/63/31/900796331.db2.gz OKOKJNWTUKGJCB-ZDUSSCGKSA-N 0 0 417.437 4.186 20 5 HIBDRN CCC1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000485509633 900796347 /nfs/dbraw/zinc/79/63/47/900796347.db2.gz ZMEDSWMPNBYOGG-UHFFFAOYSA-N 0 0 417.893 4.237 20 5 HIBDRN COc1ccc(-c2nnc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])s2)cc1 ZINC000485518182 900802718 /nfs/dbraw/zinc/80/27/18/900802718.db2.gz UHFHGHRQGFZZGK-UHFFFAOYSA-N 0 0 402.457 4.096 20 5 HIBDRN COc1ccc(CN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c2ccncc2)cc1 ZINC000485548363 900823569 /nfs/dbraw/zinc/82/35/69/900823569.db2.gz RSPPMPJQFNPIAX-UHFFFAOYSA-N 0 0 407.426 4.162 20 5 HIBDRN C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Oc1ccccc1 ZINC000485559093 900832366 /nfs/dbraw/zinc/83/23/66/900832366.db2.gz HYGOAPBICWUZJQ-QGZVFWFLSA-N 0 0 406.438 4.371 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2c(F)cccc2F)CC1 ZINC000485584892 900849886 /nfs/dbraw/zinc/84/98/86/900849886.db2.gz QOJBAEUKQZXLEU-UHFFFAOYSA-N 0 0 413.380 4.147 20 5 HIBDRN CCO[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n1 ZINC000485596959 900858431 /nfs/dbraw/zinc/85/84/31/900858431.db2.gz YOMAEWVJUGNGOY-CYBMUJFWSA-N 0 0 422.507 4.096 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])cc1OC ZINC000485636797 900889349 /nfs/dbraw/zinc/88/93/49/900889349.db2.gz QGVIKOXIMYBUET-NSHDSACASA-N 0 0 401.444 4.103 20 5 HIBDRN Cc1nc2ccccc2c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1C(C)C ZINC000485668729 900920237 /nfs/dbraw/zinc/92/02/37/900920237.db2.gz IQYYEKFSQCMPNF-UHFFFAOYSA-N 0 0 415.453 4.435 20 5 HIBDRN CCc1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000485683912 900934220 /nfs/dbraw/zinc/93/42/20/900934220.db2.gz PEWKXDLCAOHWJO-UHFFFAOYSA-N 0 0 421.276 4.419 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485719311 900969146 /nfs/dbraw/zinc/96/91/46/900969146.db2.gz UTRUSJHURNYIEV-UHFFFAOYSA-N 0 0 409.776 4.303 20 5 HIBDRN CCO[C@H]1C[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C12CCC2 ZINC000485720257 900969259 /nfs/dbraw/zinc/96/92/59/900969259.db2.gz VVNDLYRRKGYHFZ-SFTDATJTSA-N 0 0 410.470 4.251 20 5 HIBDRN CC(C)CNC(=O)c1ccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1 ZINC000485726614 900978313 /nfs/dbraw/zinc/97/83/13/900978313.db2.gz SRUZRYRKLJNLKX-UHFFFAOYSA-N 0 0 418.453 4.295 20 5 HIBDRN Cc1nc(CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccc(F)cc2)cs1 ZINC000485729604 900982038 /nfs/dbraw/zinc/98/20/38/900982038.db2.gz FAJJKBNFRXSBHF-UHFFFAOYSA-N 0 0 411.418 4.222 20 5 HIBDRN CSc1cccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1[N+](=O)[O-] ZINC000485747414 901002550 /nfs/dbraw/zinc/00/25/50/901002550.db2.gz GMIBYAREPKMHPV-UHFFFAOYSA-N 0 0 408.863 4.061 20 5 HIBDRN CSc1cccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)c1[N+](=O)[O-] ZINC000485755138 901011728 /nfs/dbraw/zinc/01/17/28/901011728.db2.gz HUXWFKYQVRMLMK-UHFFFAOYSA-N 0 0 409.471 4.112 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485756485 901012728 /nfs/dbraw/zinc/01/27/28/901012728.db2.gz XBSMJCJHUGSURY-MRXNPFEDSA-N 0 0 416.890 4.223 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000485757993 901016017 /nfs/dbraw/zinc/01/60/17/901016017.db2.gz KNBSGFRCABDTFG-KRWDZBQOSA-N 0 0 416.499 4.438 20 5 HIBDRN CC(C)(CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000485761512 901019396 /nfs/dbraw/zinc/01/93/96/901019396.db2.gz JPRZZODQNAAGGJ-UHFFFAOYSA-N 0 0 414.355 4.383 20 5 HIBDRN CSc1cccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1[N+](=O)[O-] ZINC000485766143 901023264 /nfs/dbraw/zinc/02/32/64/901023264.db2.gz IPNNSRIEAHDDGC-UHFFFAOYSA-N 0 0 413.499 4.375 20 5 HIBDRN COC(=O)c1cc(-c2nc(-c3cccc(Br)c3C)no2)cc([N+](=O)[O-])c1 ZINC000485855241 901098925 /nfs/dbraw/zinc/09/89/25/901098925.db2.gz ZDSIUFNZQVXXGH-UHFFFAOYSA-N 0 0 418.203 4.169 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000485866626 901106924 /nfs/dbraw/zinc/10/69/24/901106924.db2.gz CWNKUEHIWJOPAN-UHFFFAOYSA-N 0 0 420.918 4.448 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CCCO1 ZINC000485868834 901108145 /nfs/dbraw/zinc/10/81/45/901108145.db2.gz IQSPBAPAKRDFEH-CQSZACIVSA-N 0 0 403.866 4.111 20 5 HIBDRN O=C(NCc1coc(-c2ccccc2)n1)c1sc(Br)cc1[N+](=O)[O-] ZINC000485880230 901116064 /nfs/dbraw/zinc/11/60/64/901116064.db2.gz IEMUDXWQGGQBKK-UHFFFAOYSA-N 0 0 408.233 4.004 20 5 HIBDRN O=C(NC1(C(F)(F)F)CCOCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485898654 901130258 /nfs/dbraw/zinc/13/02/58/901130258.db2.gz QVGNGOQIUAJKNL-UHFFFAOYSA-N 0 0 424.375 4.015 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])cc2)o1 ZINC000485924578 901150832 /nfs/dbraw/zinc/15/08/32/901150832.db2.gz PSWCJUABVLNMMT-UHFFFAOYSA-N 0 0 423.248 4.284 20 5 HIBDRN C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000485924380 901151076 /nfs/dbraw/zinc/15/10/76/901151076.db2.gz SYHZBGZNCICKAJ-AWEZNQCLSA-N 0 0 424.457 4.345 20 5 HIBDRN COc1ccc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1F ZINC000485931170 901154068 /nfs/dbraw/zinc/15/40/68/901154068.db2.gz DUIBOZJNKFAEIA-UHFFFAOYSA-N 0 0 424.428 4.294 20 5 HIBDRN COC(=O)c1cc(NC(=O)COc2ccc(Cl)c(Cl)c2)c(C)c([N+](=O)[O-])c1 ZINC000485951863 901171125 /nfs/dbraw/zinc/17/11/25/901171125.db2.gz CMWIXPAZEAFNIL-UHFFFAOYSA-N 0 0 413.213 4.014 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000485962058 901178780 /nfs/dbraw/zinc/17/87/80/901178780.db2.gz BKTOBVAGMUGFTP-NWDGAFQWSA-N 0 0 406.797 4.225 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000505866509 914513779 /nfs/dbraw/zinc/51/37/79/914513779.db2.gz RBGVECZNQXBFSH-UHFFFAOYSA-N 0 0 415.343 4.429 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cnc(-c3ccccc3F)s2)c(C)c([N+](=O)[O-])c1 ZINC000485981620 901200454 /nfs/dbraw/zinc/20/04/54/901200454.db2.gz RISMWGNMMDVINA-UHFFFAOYSA-N 0 0 415.402 4.205 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(C)c(OC(F)F)c(C)c2)c(C)c([N+](=O)[O-])c1 ZINC000485985840 901204705 /nfs/dbraw/zinc/20/47/05/901204705.db2.gz CESLEGRWGSWMTE-UHFFFAOYSA-N 0 0 408.357 4.160 20 5 HIBDRN O=[N+]([O-])c1cccc(OCc2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)c1 ZINC000485990484 901208748 /nfs/dbraw/zinc/20/87/48/901208748.db2.gz OOMSMXMWWGXJMO-UHFFFAOYSA-N 0 0 415.768 4.202 20 5 HIBDRN CN(c1ccccc1)c1ccc(CNc2nccc(-c3cnn(C)c3)n2)cc1[N+](=O)[O-] ZINC000485994574 901211535 /nfs/dbraw/zinc/21/15/35/901211535.db2.gz RFRDNWWEBHUCMX-UHFFFAOYSA-N 0 0 415.457 4.165 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)NCc3nncn3C(C)C)cc2[N+](=O)[O-])cc1 ZINC000485998384 901215137 /nfs/dbraw/zinc/21/51/37/901215137.db2.gz JKNNNUKHZCBVFA-UHFFFAOYSA-N 0 0 411.487 4.157 20 5 HIBDRN O=[N+]([O-])c1cc(CSCc2ccn(-c3ccc(F)cc3F)n2)c2c(c1)COCO2 ZINC000486007952 901219725 /nfs/dbraw/zinc/21/97/25/901219725.db2.gz TVENDOMIELXSLD-UHFFFAOYSA-N 0 0 419.409 4.359 20 5 HIBDRN Cc1noc(CSc2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)n1 ZINC000486042181 901242996 /nfs/dbraw/zinc/24/29/96/901242996.db2.gz GXPCMHXKFQGUEK-UHFFFAOYSA-N 0 0 424.482 4.383 20 5 HIBDRN O=C(c1ccnc(OCc2ccccc2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486044573 901245050 /nfs/dbraw/zinc/24/50/50/901245050.db2.gz KVLBQRUUBAZTDG-UHFFFAOYSA-N 0 0 403.438 4.374 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(CSc3ccc(O)cc3)n2)c(Br)c1 ZINC000486060555 901254972 /nfs/dbraw/zinc/25/49/72/901254972.db2.gz HOWHIQUJONKIGW-UHFFFAOYSA-N 0 0 422.260 4.329 20 5 HIBDRN O=C(c1cnn(Cc2ccccc2Cl)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486118755 901305427 /nfs/dbraw/zinc/30/54/27/901305427.db2.gz KLAAJSXYJTZKEP-UHFFFAOYSA-N 0 0 410.861 4.298 20 5 HIBDRN COc1ccc(-c2noc(CSCc3ccc([N+](=O)[O-])c(OC)c3)n2)c(OC)c1 ZINC000486119089 901306600 /nfs/dbraw/zinc/30/66/00/901306600.db2.gz BJSBBDOLIVDMBD-UHFFFAOYSA-N 0 0 417.443 4.104 20 5 HIBDRN C[S@](=O)Cc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486126104 901313835 /nfs/dbraw/zinc/31/38/35/901313835.db2.gz KPAPQXNVBUFOQR-PMERELPUSA-N 0 0 424.478 4.305 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486137727 901325192 /nfs/dbraw/zinc/32/51/92/901325192.db2.gz XVCZDVNGSRNIPU-UHFFFAOYSA-N 0 0 411.405 4.292 20 5 HIBDRN Cc1oc2ccccc2c1CCNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486138080 901326524 /nfs/dbraw/zinc/32/65/24/901326524.db2.gz ODIDKFVIPDUYDD-UHFFFAOYSA-N 0 0 409.261 4.446 20 5 HIBDRN CCC(CC)(CNC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000486150842 901338447 /nfs/dbraw/zinc/33/84/47/901338447.db2.gz AUJXTOGAWYKZTM-UHFFFAOYSA-N 0 0 400.475 4.408 20 5 HIBDRN COCC[C@H]1CCCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000486163223 901350815 /nfs/dbraw/zinc/35/08/15/901350815.db2.gz IODFAHLJNTWASV-GOSISDBHSA-N 0 0 412.486 4.453 20 5 HIBDRN C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000486179719 901365318 /nfs/dbraw/zinc/36/53/18/901365318.db2.gz XTRIDMOIKFLKSC-UINNMSKDSA-N 0 0 411.277 4.102 20 5 HIBDRN O=C(c1cc2ccccc2n1CC(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000486200514 901384687 /nfs/dbraw/zinc/38/46/87/901384687.db2.gz AFJUQVJOMKKCQX-UHFFFAOYSA-N 0 0 403.360 4.310 20 5 HIBDRN CCOc1cc(CCCNC(=O)c2cccc(SC)c2[N+](=O)[O-])ccc1OC ZINC000486225510 901408966 /nfs/dbraw/zinc/40/89/66/901408966.db2.gz CCMFOISHZZKTCG-UHFFFAOYSA-N 0 0 404.488 4.087 20 5 HIBDRN CSc1cccc(C(=O)Nc2cccc(CN3C[C@@H](C)O[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000486237143 901418960 /nfs/dbraw/zinc/41/89/60/901418960.db2.gz WVZLTEMUFNRLPU-GASCZTMLSA-N 0 0 415.515 4.178 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](c1ccccc1)C(F)(F)F ZINC000486267183 901450223 /nfs/dbraw/zinc/45/02/23/901450223.db2.gz DPPUYMFJVCZBDI-HNNXBMFYSA-N 0 0 415.799 4.436 20 5 HIBDRN Cc1nc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc(C2CC2)n1 ZINC000486301913 901482569 /nfs/dbraw/zinc/48/25/69/901482569.db2.gz VTUACVNSZDJMEP-UHFFFAOYSA-N 0 0 404.426 4.402 20 5 HIBDRN COc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc(OC)c1 ZINC000486317622 901494778 /nfs/dbraw/zinc/49/47/78/901494778.db2.gz DRSLGHCJSZFXBJ-UHFFFAOYSA-N 0 0 408.410 4.443 20 5 HIBDRN C[C@@H](COCC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000486399184 901562407 /nfs/dbraw/zinc/56/24/07/901562407.db2.gz OSJOSYPNLFTAMZ-LBPRGKRZSA-N 0 0 414.405 4.443 20 5 HIBDRN O=C(Cc1ccc(F)cc1Br)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000486406703 901567239 /nfs/dbraw/zinc/56/72/39/901567239.db2.gz KIMGJIGAXIWWRE-UHFFFAOYSA-N 0 0 404.195 4.226 20 5 HIBDRN CCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cnn1-c1ccccc1Cl ZINC000486407029 901567265 /nfs/dbraw/zinc/56/72/65/901567265.db2.gz SQWOTCUDGYVDDA-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN CCOC(=O)CN(C(=O)c1cccc(SC)c1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000486431450 901591208 /nfs/dbraw/zinc/59/12/08/901591208.db2.gz QQMHFEZHDIBWJC-AWEZNQCLSA-N 0 0 402.472 4.083 20 5 HIBDRN COC[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000486436418 901594489 /nfs/dbraw/zinc/59/44/89/901594489.db2.gz MCSOZLRDNSTFKE-OAQYLSRUSA-N 0 0 406.438 4.291 20 5 HIBDRN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486450816 901610024 /nfs/dbraw/zinc/61/00/24/901610024.db2.gz MHQGNWRKDWJLPU-STZQEDGTSA-N 0 0 422.481 4.251 20 5 HIBDRN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486450801 901610423 /nfs/dbraw/zinc/61/04/23/901610423.db2.gz MHQGNWRKDWJLPU-QIJUGHKUSA-N 0 0 422.481 4.251 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486464060 901623496 /nfs/dbraw/zinc/62/34/96/901623496.db2.gz VGVXYTHFWFCNBA-UHFFFAOYSA-N 0 0 404.430 4.119 20 5 HIBDRN COc1ccccc1CC1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000486481076 901639690 /nfs/dbraw/zinc/63/96/90/901639690.db2.gz IGHBMFFYXDQVQA-UHFFFAOYSA-N 0 0 400.500 4.420 20 5 HIBDRN CC(C)COC[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000486502162 901653652 /nfs/dbraw/zinc/65/36/52/901653652.db2.gz FXISVSZOLKRONZ-INIZCTEOSA-N 0 0 409.870 4.097 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000486537986 901688997 /nfs/dbraw/zinc/68/89/97/901688997.db2.gz NBGYOVANZCWLRT-UHFFFAOYSA-N 0 0 424.310 4.199 20 5 HIBDRN Cn1c(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)nc2cc(F)ccc21 ZINC000486543244 901692127 /nfs/dbraw/zinc/69/21/27/901692127.db2.gz GSZSQYSICFUHDG-UHFFFAOYSA-N 0 0 422.366 4.238 20 5 HIBDRN COC(=O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 ZINC000486614701 901750280 /nfs/dbraw/zinc/75/02/80/901750280.db2.gz IBXZDYLGAKWYHW-UHFFFAOYSA-N 0 0 420.874 4.082 20 5 HIBDRN COc1cc(CCNC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000486638978 901768902 /nfs/dbraw/zinc/76/89/02/901768902.db2.gz SXXPPBZTPGCYJK-HXUWFJFHSA-N 0 0 420.893 4.364 20 5 HIBDRN CC(=O)Nc1ccc(F)c(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000486658903 901780167 /nfs/dbraw/zinc/78/01/67/901780167.db2.gz QVJCJUPYIYLOSF-UHFFFAOYSA-N 0 0 414.315 4.033 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCCOc1ccc2ccccc2c1 ZINC000486677579 901791143 /nfs/dbraw/zinc/79/11/43/901791143.db2.gz WHFQQXIEKLGZEC-UHFFFAOYSA-N 0 0 400.381 4.154 20 5 HIBDRN CCc1c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnn1C1CCCC1 ZINC000486710929 901806554 /nfs/dbraw/zinc/80/65/54/901806554.db2.gz OGTBLPVZEMUYNG-UHFFFAOYSA-N 0 0 410.396 4.418 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000486710158 901806741 /nfs/dbraw/zinc/80/67/41/901806741.db2.gz ADVLNOCPRDNYHU-NVXWUHKLSA-N 0 0 400.500 4.352 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc([C@H]2CCCOC2)c1 ZINC000486716912 901810323 /nfs/dbraw/zinc/81/03/23/901810323.db2.gz LVEBZICUOBZHGJ-INIZCTEOSA-N 0 0 408.376 4.438 20 5 HIBDRN COc1ccc(CS(=O)(=O)[C@H](C)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000486718270 901811480 /nfs/dbraw/zinc/81/14/80/901811480.db2.gz TXIJCWWYKMTIOX-LLVKDONJSA-N 0 0 414.277 4.042 20 5 HIBDRN CN(C)[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000486721696 901812981 /nfs/dbraw/zinc/81/29/81/901812981.db2.gz HJJCKRHSXROHCS-INIZCTEOSA-N 0 0 415.799 4.186 20 5 HIBDRN CC(C)(C)n1nc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1C1CC1 ZINC000486722501 901814238 /nfs/dbraw/zinc/81/42/38/901814238.db2.gz OKHVRSBWNYLPSE-UHFFFAOYSA-N 0 0 410.396 4.373 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC(=O)Nc1ccccc1 ZINC000486724265 901815340 /nfs/dbraw/zinc/81/53/40/901815340.db2.gz OFOSQWHVXUWFMK-UHFFFAOYSA-N 0 0 401.488 4.102 20 5 HIBDRN C/C=C/c1ccc(OCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(OC)c1 ZINC000486729166 901817779 /nfs/dbraw/zinc/81/77/79/901817779.db2.gz KOVHLUDCUUFLDQ-ONEGZZNKSA-N 0 0 424.375 4.351 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000486757115 901832739 /nfs/dbraw/zinc/83/27/39/901832739.db2.gz HGAZUKYGYDKMAD-NSHDSACASA-N 0 0 411.439 4.246 20 5 HIBDRN Cc1ccnc(-c2n[nH]c([C@@H](C)NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)c1 ZINC000486798399 901860837 /nfs/dbraw/zinc/86/08/37/901860837.db2.gz CAVWBFQTQVLQAO-CYBMUJFWSA-N 0 0 421.486 4.058 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000486819809 901874128 /nfs/dbraw/zinc/87/41/28/901874128.db2.gz NCEVBHQCYSZWIQ-OAHLLOKOSA-N 0 0 404.426 4.042 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000486835510 901885577 /nfs/dbraw/zinc/88/55/77/901885577.db2.gz UQVOTHCOBPLCDA-MRXNPFEDSA-N 0 0 416.327 4.175 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000486843602 901891109 /nfs/dbraw/zinc/89/11/09/901891109.db2.gz IUPAWNZOFGDAAI-FNQPIQQGSA-N 0 0 414.433 4.336 20 5 HIBDRN CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486859313 901905202 /nfs/dbraw/zinc/90/52/02/901905202.db2.gz QYQFWBFOYHHXCJ-UHFFFAOYSA-N 0 0 411.867 4.459 20 5 HIBDRN 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CC[C@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000487886935 902429408 /nfs/dbraw/zinc/42/94/08/902429408.db2.gz ZUROAQVOVBPKEV-FQEVSTJZSA-N 0 0 407.426 4.428 20 5 HIBDRN CC(C)COC[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccco1 ZINC000487949028 902478589 /nfs/dbraw/zinc/47/85/89/902478589.db2.gz QMHZIVARQZHSJU-LJQANCHMSA-N 0 0 401.463 4.276 20 5 HIBDRN CC(C)(C)c1nc(CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000487984375 902506311 /nfs/dbraw/zinc/50/63/11/902506311.db2.gz NYJUFXSSACECAP-UHFFFAOYSA-N 0 0 410.927 4.087 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488033645 902551438 /nfs/dbraw/zinc/55/14/38/902551438.db2.gz UFOPAIRZEUYDNQ-SGTLLEGYSA-N 0 0 409.845 4.005 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] ZINC000488041395 902557793 /nfs/dbraw/zinc/55/77/93/902557793.db2.gz HRCIQAVIZDGRFZ-AWEZNQCLSA-N 0 0 412.421 4.292 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2cccc(CSc3nccn3C)c2)cc1[N+](=O)[O-] ZINC000488068346 902580845 /nfs/dbraw/zinc/58/08/45/902580845.db2.gz MCHJKHQOAQDXJX-OAHLLOKOSA-N 0 0 410.499 4.420 20 5 HIBDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488072125 902581808 /nfs/dbraw/zinc/58/18/08/902581808.db2.gz IOBLKWOIXWNKRM-UHFFFAOYSA-N 0 0 422.816 4.108 20 5 HIBDRN O=C(NCC1(CCO)CCCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488111149 902611706 /nfs/dbraw/zinc/61/17/06/902611706.db2.gz NUHFMSPNXFKPJU-UHFFFAOYSA-N 0 0 400.500 4.419 20 5 HIBDRN Cc1nc(SCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]c1Cc1ccccc1 ZINC000488116192 902616668 /nfs/dbraw/zinc/61/66/68/902616668.db2.gz WZGVLSFFVMXGIN-HNNXBMFYSA-N 0 0 424.526 4.495 20 5 HIBDRN O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000488124430 902622520 /nfs/dbraw/zinc/62/25/20/902622520.db2.gz KANZNDYVSOCXER-MRXNPFEDSA-N 0 0 400.442 4.312 20 5 HIBDRN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000488132966 902630321 /nfs/dbraw/zinc/63/03/21/902630321.db2.gz WSKTVYCREPWZBX-LBPRGKRZSA-N 0 0 424.682 4.019 20 5 HIBDRN COC[C@@H](NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000488153915 902648674 /nfs/dbraw/zinc/64/86/74/902648674.db2.gz TZXMFZUTPVZHDV-CQSZACIVSA-N 0 0 410.879 4.096 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1C(=O)N(C)C(C)C ZINC000488174836 902664710 /nfs/dbraw/zinc/66/47/10/902664710.db2.gz IWDVLHXCKYEXAZ-UHFFFAOYSA-N 0 0 410.474 4.210 20 5 HIBDRN COC(=O)CNC(=O)c1ccc(N[C@H](CC(C)C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000488180269 902667859 /nfs/dbraw/zinc/66/78/59/902667859.db2.gz MELLWXLTMIHWID-LJQANCHMSA-N 0 0 413.474 4.005 20 5 HIBDRN COc1c(F)cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000488218776 902700269 /nfs/dbraw/zinc/70/02/69/902700269.db2.gz GWUPTYJINFZHII-UHFFFAOYSA-N 0 0 416.430 4.138 20 5 HIBDRN COc1ccc(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000488229110 902707040 /nfs/dbraw/zinc/70/70/40/902707040.db2.gz YTTXDRZXMLGRDJ-UHFFFAOYSA-N 0 0 410.757 4.076 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COc1ccccc1Br ZINC000488281880 902745232 /nfs/dbraw/zinc/74/52/32/902745232.db2.gz PRKQWDBFQUYCNV-UHFFFAOYSA-N 0 0 407.264 4.173 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000488358575 902780653 /nfs/dbraw/zinc/78/06/53/902780653.db2.gz RIZYJOOOGTWNCA-UHFFFAOYSA-N 0 0 415.494 4.155 20 5 HIBDRN CC(C)(C)c1nnc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000488381034 902789490 /nfs/dbraw/zinc/78/94/90/902789490.db2.gz RLMLLBJEMWPGDR-UHFFFAOYSA-N 0 0 403.386 4.084 20 5 HIBDRN CC[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Oc1cccc(C)c1 ZINC000488394372 902803568 /nfs/dbraw/zinc/80/35/68/902803568.db2.gz FKHDMARWYBEAPV-IBGZPJMESA-N 0 0 414.505 4.437 20 5 HIBDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000488406527 902812678 /nfs/dbraw/zinc/81/26/78/902812678.db2.gz XYXWOSYMXJZZBQ-UWJYYQICSA-N 0 0 419.522 4.131 20 5 HIBDRN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488432924 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COc1ccc(Cl)cc1CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506136860 914819277 /nfs/dbraw/zinc/81/92/77/914819277.db2.gz LMSDETHHLUHIEC-UHFFFAOYSA-N 0 0 400.866 4.289 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000491313348 904532744 /nfs/dbraw/zinc/53/27/44/904532744.db2.gz WZJLAPZJJPPVRD-FCHUYYIVSA-N 0 0 409.486 4.498 20 5 HIBDRN C[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Oc1ccccc1Cl ZINC000491321930 904536237 /nfs/dbraw/zinc/53/62/37/904536237.db2.gz HBYKRXUUJBWIKN-AWEZNQCLSA-N 0 0 403.866 4.390 20 5 HIBDRN CC[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Oc1ccccc1F ZINC000491345781 904549671 /nfs/dbraw/zinc/54/96/71/904549671.db2.gz IJOYWLXOFLAMJU-GOSISDBHSA-N 0 0 401.438 4.266 20 5 HIBDRN Cn1c(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2cc(Cl)ccc21 ZINC000491501518 904626095 /nfs/dbraw/zinc/62/60/95/904626095.db2.gz YBBORJWSKRZOCM-UHFFFAOYSA-N 0 0 412.755 4.084 20 5 HIBDRN CN(C)C(=O)C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000491762584 904695220 /nfs/dbraw/zinc/69/52/20/904695220.db2.gz MYXITTFQFMNRQF-GFCCVEGCSA-N 0 0 408.285 4.484 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)Nc2ccc3c(c2)CCO3)cc1[N+](=O)[O-])c1ccccn1 ZINC000506181246 914835822 /nfs/dbraw/zinc/83/58/22/914835822.db2.gz ZPOQEUBUODILCD-CQSZACIVSA-N 0 0 404.426 4.350 20 5 HIBDRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000491891844 904722806 /nfs/dbraw/zinc/72/28/06/904722806.db2.gz MAVLWQZQLJGKQP-SFHVURJKSA-N 0 0 403.866 4.168 20 5 HIBDRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000491891843 904722875 /nfs/dbraw/zinc/72/28/75/904722875.db2.gz MAVLWQZQLJGKQP-GOSISDBHSA-N 0 0 403.866 4.168 20 5 HIBDRN CNC(=O)c1cc(Oc2cccc(NCc3ccc([N+](=O)[O-])cc3Cl)c2)ccn1 ZINC000492243883 904822645 /nfs/dbraw/zinc/82/26/45/904822645.db2.gz XRHGODSHOVIYQL-UHFFFAOYSA-N 0 0 412.833 4.407 20 5 HIBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)ccc1NC(N)=O ZINC000492484345 904857338 /nfs/dbraw/zinc/85/73/38/904857338.db2.gz RJRABKGSVGYRQH-UHFFFAOYSA-N 0 0 418.475 4.094 20 5 HIBDRN CCOc1cc(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000492582256 904872771 /nfs/dbraw/zinc/87/27/71/904872771.db2.gz KRDQYMSMGUMSFU-LJQANCHMSA-N 0 0 408.401 4.168 20 5 HIBDRN CCOc1cc(CNc2ccc(Cl)c(-n3nnnc3C3CC3)c2)ccc1[N+](=O)[O-] ZINC000492586158 904874005 /nfs/dbraw/zinc/87/40/05/904874005.db2.gz YUIALTAFQSYMRK-UHFFFAOYSA-N 0 0 414.853 4.112 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000506228065 914852610 /nfs/dbraw/zinc/85/26/10/914852610.db2.gz SDMZFZYPPLIHTR-CQSZACIVSA-N 0 0 405.279 4.307 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000506228064 914852724 /nfs/dbraw/zinc/85/27/24/914852724.db2.gz SDMZFZYPPLIHTR-AWEZNQCLSA-N 0 0 405.279 4.307 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000492934549 904953511 /nfs/dbraw/zinc/95/35/11/904953511.db2.gz ACEDTXSEOUEZDQ-LIRRHRJNSA-N 0 0 403.866 4.401 20 5 HIBDRN O=C(c1cc2c(cccc2OC(F)F)[nH]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493048764 905001472 /nfs/dbraw/zinc/00/14/72/905001472.db2.gz IAHDKWJPFNGCHX-UHFFFAOYSA-N 0 0 401.369 4.482 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000493181937 905044257 /nfs/dbraw/zinc/04/42/57/905044257.db2.gz PLPPJTQTAHIZKT-GFCCVEGCSA-N 0 0 416.865 4.332 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)Nc2c(F)cc(F)cc2Br)cc1[N+](=O)[O-] ZINC000493285601 905077432 /nfs/dbraw/zinc/07/74/32/905077432.db2.gz YWPHAWZYGUYBJU-UHFFFAOYSA-N 0 0 421.219 4.053 20 5 HIBDRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)nc21 ZINC000493912825 905266017 /nfs/dbraw/zinc/26/60/17/905266017.db2.gz QCPQXYRSIFKPSV-CYBMUJFWSA-N 0 0 417.487 4.212 20 5 HIBDRN C[C@H](N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000493915369 905266038 /nfs/dbraw/zinc/26/60/38/905266038.db2.gz DLUVEDSQHYUPDN-NBHSMZAVSA-N 0 0 416.384 4.104 20 5 HIBDRN CC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nc(C)cs2)c1)c1cccc([N+](=O)[O-])c1 ZINC000493984473 905327904 /nfs/dbraw/zinc/32/79/04/905327904.db2.gz IDYRDKNMQDJFNM-GOSISDBHSA-N 0 0 424.482 4.233 20 5 HIBDRN CCOC(=O)CCc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000494047249 905387045 /nfs/dbraw/zinc/38/70/45/905387045.db2.gz HZBOWDAQWHLTRL-UHFFFAOYSA-N 0 0 411.458 4.287 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CSc2ccc(Br)cc21 ZINC000494175709 905511347 /nfs/dbraw/zinc/51/13/47/905511347.db2.gz KEENSSHZWZQQTM-ZDUSSCGKSA-N 0 0 408.277 4.004 20 5 HIBDRN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494204141 905537085 /nfs/dbraw/zinc/53/70/85/905537085.db2.gz HRDKQVNUILUZOK-UHFFFAOYSA-N 0 0 408.458 4.027 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000494250717 905576264 /nfs/dbraw/zinc/57/62/64/905576264.db2.gz KTHNUBKTXUBSDA-QGZVFWFLSA-N 0 0 404.850 4.377 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000494282207 905606561 /nfs/dbraw/zinc/60/65/61/905606561.db2.gz LSMUFJRREKLGOV-UHFFFAOYSA-N 0 0 421.244 4.146 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CSc2ccc(Br)cc21 ZINC000494431439 905718499 /nfs/dbraw/zinc/71/84/99/905718499.db2.gz PLNLBVDATLYRII-HNNXBMFYSA-N 0 0 422.304 4.046 20 5 HIBDRN COC(=O)COc1ccccc1[C@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494509900 905800717 /nfs/dbraw/zinc/80/07/17/905800717.db2.gz KYOXYFIBXQKLSL-LBPRGKRZSA-N 0 0 412.364 4.016 20 5 HIBDRN Cc1cccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C(F)(F)F)c1 ZINC000512465795 921180150 /nfs/dbraw/zinc/18/01/50/921180150.db2.gz LKDHUPJVRHIZDX-IBGZPJMESA-N 0 0 419.359 4.250 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)cc1F)c1ccc([N+](=O)[O-])cc1Br ZINC000512473431 921184255 /nfs/dbraw/zinc/18/42/55/921184255.db2.gz FRTJHRSCIZPGSJ-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN CCOCc1ccccc1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494665316 905890638 /nfs/dbraw/zinc/89/06/38/905890638.db2.gz ZNCCMLDWPLREBA-UHFFFAOYSA-N 0 0 411.380 4.150 20 5 HIBDRN CCC[C@]1(C(F)(F)F)CCCN1C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000494672398 905894204 /nfs/dbraw/zinc/89/42/04/905894204.db2.gz LWXQQRRGCXTXAP-QGZVFWFLSA-N 0 0 402.369 4.109 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000494676373 905895924 /nfs/dbraw/zinc/89/59/24/905895924.db2.gz ZCNVXPIJQQVCMX-LJAQVGFWSA-N 0 0 416.499 4.437 20 5 HIBDRN Cc1ccc(CO)cc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000494801932 906002779 /nfs/dbraw/zinc/00/27/79/906002779.db2.gz UFRUZHFTACSYGW-HNNXBMFYSA-N 0 0 406.442 4.216 20 5 HIBDRN CN(Cc1ccc(Br)c(F)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000494859330 906043518 /nfs/dbraw/zinc/04/35/18/906043518.db2.gz ZCDCAKGSRSZOTM-UHFFFAOYSA-N 0 0 413.268 4.247 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1OCCc2sccc21 ZINC000494936348 906107841 /nfs/dbraw/zinc/10/78/41/906107841.db2.gz JKDPZPOTFXQPTN-BFUOFWGJSA-N 0 0 401.488 4.033 20 5 HIBDRN 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906261259 /nfs/dbraw/zinc/26/12/59/906261259.db2.gz VPGDLMDQADKATI-UHFFFAOYSA-N 0 0 415.902 4.197 20 5 HIBDRN COc1cc(C(=O)NCc2ccc(C3CCC3)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000495172584 906287275 /nfs/dbraw/zinc/28/72/75/906287275.db2.gz KOKXYDODOMANSX-UHFFFAOYSA-N 0 0 406.385 4.402 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[C@H](O)Cc1ccccc1 ZINC000495263204 906349279 /nfs/dbraw/zinc/34/92/79/906349279.db2.gz AJUYUAKMKMMYQB-HRAATJIYSA-N 0 0 422.506 4.468 20 5 HIBDRN Cc1cn2c(n1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)CCC2 ZINC000495307189 906368137 /nfs/dbraw/zinc/36/81/37/906368137.db2.gz AXYNFOUKOCLYOE-GOSISDBHSA-N 0 0 419.485 4.019 20 5 HIBDRN O=C(C[C@H]1CCCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccco1 ZINC000495344684 906389245 /nfs/dbraw/zinc/38/92/45/906389245.db2.gz AOLHTNNANJGSIF-MRXNPFEDSA-N 0 0 422.441 4.031 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2cc3ccccc3c3cccnc23)ccc1OCCO ZINC000495361054 906403601 /nfs/dbraw/zinc/40/36/01/906403601.db2.gz 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O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2c2cccs2)s1 ZINC000512771419 921309474 /nfs/dbraw/zinc/30/94/74/921309474.db2.gz VOYLSUPWXTZVJQ-HNNXBMFYSA-N 0 0 412.539 4.116 20 5 HIBDRN CC(C)(C(=O)N1CCc2cc(Br)cc(F)c2C1)c1ccccc1[N+](=O)[O-] ZINC000497794559 907282961 /nfs/dbraw/zinc/28/29/61/907282961.db2.gz VFERAUQQPXVZJH-UHFFFAOYSA-N 0 0 421.266 4.359 20 5 HIBDRN CCCc1n[nH]c(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000497811606 907296788 /nfs/dbraw/zinc/29/67/88/907296788.db2.gz JBZBISPQDHYMOW-AWEZNQCLSA-N 0 0 421.457 4.014 20 5 HIBDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000497817267 907301024 /nfs/dbraw/zinc/30/10/24/907301024.db2.gz MGEHXXQWBHBREO-HZPDHXFCSA-N 0 0 424.501 4.281 20 5 HIBDRN C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000497822110 907305300 /nfs/dbraw/zinc/30/53/00/907305300.db2.gz PQBPCDZUJIXDQP-LBPRGKRZSA-N 0 0 416.384 4.088 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C(C)(C)O ZINC000512803342 921314601 /nfs/dbraw/zinc/31/46/01/921314601.db2.gz UWYHBMJOLWXAQG-SFHVURJKSA-N 0 0 422.865 4.328 20 5 HIBDRN O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497871745 907348092 /nfs/dbraw/zinc/34/80/92/907348092.db2.gz JJZTVDPCMAINBA-UHFFFAOYSA-N 0 0 421.796 4.301 20 5 HIBDRN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497911354 907382644 /nfs/dbraw/zinc/38/26/44/907382644.db2.gz CAQBKQSKWKVXLT-UHFFFAOYSA-N 0 0 419.359 4.152 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1OC(F)F ZINC000497912166 907384681 /nfs/dbraw/zinc/38/46/81/907384681.db2.gz HXAKAIVIVBHAFC-UHFFFAOYSA-N 0 0 417.368 4.025 20 5 HIBDRN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000497940024 907405136 /nfs/dbraw/zinc/40/51/36/907405136.db2.gz RKHJWTOMGVUPTL-HNNXBMFYSA-N 0 0 419.311 4.338 20 5 HIBDRN NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000497947930 907416053 /nfs/dbraw/zinc/41/60/53/907416053.db2.gz DAHWWQXNGPQXMG-HSZRJFAPSA-N 0 0 424.504 4.090 20 5 HIBDRN COC(=O)CCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(C)C ZINC000497968415 907437132 /nfs/dbraw/zinc/43/71/32/907437132.db2.gz ONZKJJUULJFICJ-UHFFFAOYSA-N 0 0 420.849 4.454 20 5 HIBDRN CC(=O)NCc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000497993281 907472492 /nfs/dbraw/zinc/47/24/92/907472492.db2.gz KGAFYCMRPVSLOB-UHFFFAOYSA-N 0 0 404.426 4.227 20 5 HIBDRN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000498064905 907574178 /nfs/dbraw/zinc/57/41/78/907574178.db2.gz MEZLCSFZLOLTCY-UHFFFAOYSA-N 0 0 402.756 4.257 20 5 HIBDRN CC(C)[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)NCc1ccco1 ZINC000498082446 907592564 /nfs/dbraw/zinc/59/25/64/907592564.db2.gz PPYFQQGOQQRSHD-HXUWFJFHSA-N 0 0 421.522 4.113 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000498110408 907620259 /nfs/dbraw/zinc/62/02/59/907620259.db2.gz 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DHSUJZQMUANPSB-NRFANRHFSA-N 0 0 406.417 4.223 20 5 HIBDRN Cc1ccc(C)n1C1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000499022174 908397387 /nfs/dbraw/zinc/39/73/87/908397387.db2.gz ZFLJNSIFVMXDGM-HNNXBMFYSA-N 0 0 404.898 4.331 20 5 HIBDRN O=C(CCc1ccccc1Br)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000499027052 908402569 /nfs/dbraw/zinc/40/25/69/908402569.db2.gz AKQMBGKRIIKXGA-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN CC[C@H](NC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000499117912 908476635 /nfs/dbraw/zinc/47/66/35/908476635.db2.gz ODHNLELANYGRKI-KSSFIOAISA-N 0 0 401.463 4.432 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3c4ccccc4CC[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000499145833 908503631 /nfs/dbraw/zinc/50/36/31/908503631.db2.gz YQSJPIGFWRQYPR-HNNXBMFYSA-N 0 0 404.470 4.438 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)c2cccc(Br)c2)c(Br)c1 ZINC000499156808 908513274 /nfs/dbraw/zinc/51/32/74/908513274.db2.gz MWIFUFQOCSAFFP-AWEZNQCLSA-N 0 0 416.069 4.265 20 5 HIBDRN 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C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000510523589 918968911 /nfs/dbraw/zinc/96/89/11/918968911.db2.gz MFYMNKGIQTXDNB-RYUDHWBXSA-N 0 0 416.259 4.146 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2cc(CC(C)(C)C)nn2C)cc1[N+](=O)[O-] ZINC000510530400 918975616 /nfs/dbraw/zinc/97/56/16/918975616.db2.gz YTZOLTMHXNBDIW-UHFFFAOYSA-N 0 0 409.284 4.240 20 5 HIBDRN CC[C@@H](C)Oc1ccc(NC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000510538842 918983902 /nfs/dbraw/zinc/98/39/02/918983902.db2.gz OCVKVYKWFDJRDX-CQSZACIVSA-N 0 0 417.462 4.154 20 5 HIBDRN CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccccc1C(=O)OC ZINC000510569879 919012222 /nfs/dbraw/zinc/01/22/22/919012222.db2.gz KZQXLWHHXJSSJW-UHFFFAOYSA-N 0 0 421.247 4.119 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000510631076 919073597 /nfs/dbraw/zinc/07/35/97/919073597.db2.gz WUJCNENTBNNFSP-UHFFFAOYSA-N 0 0 422.812 4.130 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000510647901 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ZINC000514708745 922769170 /nfs/dbraw/zinc/76/91/70/922769170.db2.gz RSUKJYPNFUKDAK-KRWDZBQOSA-N 0 0 402.472 4.311 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000514740389 922776129 /nfs/dbraw/zinc/77/61/29/922776129.db2.gz SOISWPXIXHISKS-OAHLLOKOSA-N 0 0 406.385 4.354 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(Br)cc2F)c1 ZINC000514756255 922786598 /nfs/dbraw/zinc/78/65/98/922786598.db2.gz DWFAIFPOZWBPAM-SNVBAGLBSA-N 0 0 411.227 4.386 20 5 HIBDRN CCOc1nc(C(F)(F)F)ccc1-c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000514815633 922811276 /nfs/dbraw/zinc/81/12/76/922811276.db2.gz GVYFVGOJMOCSDL-UHFFFAOYSA-N 0 0 424.335 4.057 20 5 HIBDRN CSc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1[N+](=O)[O-] ZINC000514898198 922838407 /nfs/dbraw/zinc/83/84/07/922838407.db2.gz ODXIOUUOBLICJR-UHFFFAOYSA-N 0 0 409.471 4.112 20 5 HIBDRN Cc1cc(OCc2nc(-c3cnc(Oc4ccccc4)cn3)no2)ccc1[N+](=O)[O-] ZINC000514970872 922860580 /nfs/dbraw/zinc/86/05/80/922860580.db2.gz LMFZTRJTGGAWCJ-UHFFFAOYSA-N 0 0 405.370 4.115 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(N3C4CCC3CC4)c([N+](=O)[O-])c2)c(C)c1 ZINC000514981282 922865090 /nfs/dbraw/zinc/86/50/90/922865090.db2.gz OYOOYGUKPGIVRO-UHFFFAOYSA-N 0 0 401.488 4.144 20 5 HIBDRN Cc1ccc2c(C3=CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4C)CC3)c[nH]c2c1 ZINC000515244280 923011707 /nfs/dbraw/zinc/01/17/07/923011707.db2.gz PMMRLHQMKFONKK-UHFFFAOYSA-N 0 0 411.483 4.171 20 5 HIBDRN O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1cc2ccccc2c2cccnc12 ZINC000515282057 923031862 /nfs/dbraw/zinc/03/18/62/923031862.db2.gz CGTZMOUSIPPBCN-UHFFFAOYSA-N 0 0 406.445 4.296 20 5 HIBDRN CC[C@H]1CO[C@H](C)CN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000515315118 923045081 /nfs/dbraw/zinc/04/50/81/923045081.db2.gz LYMHFTUHDLRDLS-PBHICJAKSA-N 0 0 417.893 4.500 20 5 HIBDRN CSc1ccc(-c2nc([C@H](NC(=O)c3ccccc3)C(C)C)no2)cc1[N+](=O)[O-] ZINC000515330157 923054695 /nfs/dbraw/zinc/05/46/95/923054695.db2.gz OUCWESMSTJUDLM-QGZVFWFLSA-N 0 0 412.471 4.494 20 5 HIBDRN CC[C@@H](NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000515344041 923061373 /nfs/dbraw/zinc/06/13/73/923061373.db2.gz SAPXEELQLQFFAH-RHSMWYFYSA-N 0 0 401.463 4.432 20 5 HIBDRN O=c1[nH]cnc2cc(NC[C@@H](OCC3CC3)c3ccc(Cl)cc3)c([N+](=O)[O-])cc12 ZINC000515418289 923090893 /nfs/dbraw/zinc/09/08/93/923090893.db2.gz MTDROMJNEAMDRT-LJQANCHMSA-N 0 0 414.849 4.477 20 5 HIBDRN C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000515439285 923099681 /nfs/dbraw/zinc/09/96/81/923099681.db2.gz QNEGESVZTQQSQW-ZDUSSCGKSA-N 0 0 419.466 4.479 20 5 HIBDRN COc1ccc(CNC(=O)NCc2ccc(COc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000515454287 923113382 /nfs/dbraw/zinc/11/33/82/923113382.db2.gz RTQRUSRIVKMRAY-UHFFFAOYSA-N 0 0 421.453 4.182 20 5 HIBDRN CN(C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)c1ccc([N+](=O)[O-])nc1 ZINC000515477211 923126485 /nfs/dbraw/zinc/12/64/85/923126485.db2.gz UEVYCJYXEZRVAS-UHFFFAOYSA-N 0 0 424.482 4.289 20 5 HIBDRN CC(C)c1ccc(OC2CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)cc1 ZINC000515480590 923128191 /nfs/dbraw/zinc/12/81/91/923128191.db2.gz UKEGFBBNOQAJCX-UHFFFAOYSA-N 0 0 408.458 4.415 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000515492818 923133470 /nfs/dbraw/zinc/13/34/70/923133470.db2.gz OFSQVIQJOHEISA-CQSZACIVSA-N 0 0 420.290 4.238 20 5 HIBDRN Cc1c(OCC(=O)NCc2ccc(COc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000515571658 923187162 /nfs/dbraw/zinc/18/71/62/923187162.db2.gz BMMPPNWRSFNPRZ-UHFFFAOYSA-N 0 0 406.438 4.177 20 5 HIBDRN CCc1cc(N(C)CC(=O)Nc2cccc(C)c2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515585423 923199321 /nfs/dbraw/zinc/19/93/21/923199321.db2.gz XVFXLCHGOCTOHP-UHFFFAOYSA-N 0 0 419.485 4.306 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC)cn1 ZINC000515592232 923204768 /nfs/dbraw/zinc/20/47/68/923204768.db2.gz PGRXFGHBXLPJSP-UHFFFAOYSA-N 0 0 422.441 4.153 20 5 HIBDRN CCCOc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000515603453 923209888 /nfs/dbraw/zinc/20/98/88/923209888.db2.gz DZFSBWLJPVUZLK-GFCCVEGCSA-N 0 0 407.854 4.485 20 5 HIBDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000515614052 923218512 /nfs/dbraw/zinc/21/85/12/923218512.db2.gz FXNYFIOEXNMBDA-BETUJISGSA-N 0 0 401.488 4.335 20 5 HIBDRN O=C(CC(F)(F)F)N1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000515685849 923270083 /nfs/dbraw/zinc/27/00/83/923270083.db2.gz DRSLWIPVTVHEAA-UHFFFAOYSA-N 0 0 400.184 4.257 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(OCc2ccccc2)nc1 ZINC000515715844 923298139 /nfs/dbraw/zinc/29/81/39/923298139.db2.gz QSBCUKCYPNUCBL-OAHLLOKOSA-N 0 0 422.441 4.017 20 5 HIBDRN CCOC(=O)CN(CC)C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000515728676 923307436 /nfs/dbraw/zinc/30/74/36/923307436.db2.gz YQVXUQACOCYIEX-UHFFFAOYSA-N 0 0 402.472 4.080 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)c2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000515733859 923310886 /nfs/dbraw/zinc/31/08/86/923310886.db2.gz WEVFGQPPFKOBEO-SNVBAGLBSA-N 0 0 420.821 4.198 20 5 HIBDRN CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000515755642 923327232 /nfs/dbraw/zinc/32/72/32/923327232.db2.gz XLQFDASUDVLRKJ-LBPRGKRZSA-N 0 0 400.859 4.468 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000515777976 923344178 /nfs/dbraw/zinc/34/41/78/923344178.db2.gz WJIQWEDEBTWUBO-NRFANRHFSA-N 0 0 409.417 4.331 20 5 HIBDRN C[C@@H](NCc1nc(-c2cc(Br)cs2)no1)c1cccc([N+](=O)[O-])c1 ZINC000515817279 923371529 /nfs/dbraw/zinc/37/15/29/923371529.db2.gz KYNVPGVFDHAMQH-SECBINFHSA-N 0 0 409.265 4.320 20 5 HIBDRN C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000515904457 923423610 /nfs/dbraw/zinc/42/36/10/923423610.db2.gz GLTYDKGNFPRGRA-KGLIPLIRSA-N 0 0 411.462 4.000 20 5 HIBDRN C[C@@H](NC(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1)c1cccc([N+](=O)[O-])c1 ZINC000515908371 923427151 /nfs/dbraw/zinc/42/71/51/923427151.db2.gz NNLGXYJTCAYEBV-CVEARBPZSA-N 0 0 416.909 4.398 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000516033510 923511067 /nfs/dbraw/zinc/51/10/67/923511067.db2.gz APFMEJXRUVBDLB-UHFFFAOYSA-N 0 0 421.375 4.052 20 5 HIBDRN COc1cc(Cc2noc([C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)ccc1[N+](=O)[O-] ZINC000516115366 923551245 /nfs/dbraw/zinc/55/12/45/923551245.db2.gz WEUGDMCUPJRMHH-RYUDHWBXSA-N 0 0 405.332 4.266 20 5 HIBDRN COc1cc(Cc2noc([C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)ccc1[N+](=O)[O-] ZINC000516115365 923551634 /nfs/dbraw/zinc/55/16/34/923551634.db2.gz WEUGDMCUPJRMHH-NWDGAFQWSA-N 0 0 405.332 4.266 20 5 HIBDRN Cc1cc(C)cc(-n2ccnc2SCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000516126628 923559557 /nfs/dbraw/zinc/55/95/57/923559557.db2.gz HLSKSJCZLLXPRW-MRXNPFEDSA-N 0 0 410.499 4.367 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1C ZINC000516148186 923575731 /nfs/dbraw/zinc/57/57/31/923575731.db2.gz JYAXRRWIBAVHIV-LJQANCHMSA-N 0 0 420.487 4.480 20 5 HIBDRN CN(CCOc1ccccc1Cl)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000516215377 923606272 /nfs/dbraw/zinc/60/62/72/923606272.db2.gz SAIWRZOLHSTBBW-UHFFFAOYSA-N 0 0 402.756 4.418 20 5 HIBDRN CC(C)c1ccc(OC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000516263699 923634616 /nfs/dbraw/zinc/63/46/16/923634616.db2.gz ZKYBWLHCELBKJO-UHFFFAOYSA-N 0 0 410.517 4.012 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000516300205 923651838 /nfs/dbraw/zinc/65/18/38/923651838.db2.gz ANZZVJDJBHWKSW-RDJZCZTQSA-N 0 0 401.850 4.029 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)c1 ZINC000516322942 923663614 /nfs/dbraw/zinc/66/36/14/923663614.db2.gz KMDZQQYHUOUSPO-UHFFFAOYSA-N 0 0 401.419 4.354 20 5 HIBDRN COc1ccc(Cl)cc1C1(CNC(=O)c2cccc(C)c2[N+](=O)[O-])CCOCC1 ZINC000516327485 923668599 /nfs/dbraw/zinc/66/85/99/923668599.db2.gz DLKZYUYEKDMNCJ-UHFFFAOYSA-N 0 0 418.877 4.043 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000516335454 923672007 /nfs/dbraw/zinc/67/20/07/923672007.db2.gz NGUSVQLFNQXSMQ-NRFANRHFSA-N 0 0 410.499 4.028 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000516355225 923686076 /nfs/dbraw/zinc/68/60/76/923686076.db2.gz OQIQMKVHMIKMKN-SUMWQHHRSA-N 0 0 422.268 4.075 20 5 HIBDRN O=C(Nc1ccc(NCc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000516367593 923695970 /nfs/dbraw/zinc/69/59/70/923695970.db2.gz TUZSINDBIHNNQX-QGZVFWFLSA-N 0 0 409.364 4.343 20 5 HIBDRN C[C@H](Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000516382224 923703584 /nfs/dbraw/zinc/70/35/84/923703584.db2.gz IYUVWPOJNXCXDS-GUYCJALGSA-N 0 0 419.865 4.245 20 5 HIBDRN Cc1c(CNC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000516443315 923736561 /nfs/dbraw/zinc/73/65/61/923736561.db2.gz QQWSFAVYHNQSRN-CVEARBPZSA-N 0 0 404.264 4.021 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000516443317 923736860 /nfs/dbraw/zinc/73/68/60/923736860.db2.gz QQWSFAVYHNQSRN-HZPDHXFCSA-N 0 0 404.264 4.021 20 5 HIBDRN Cc1c(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)noc1-c1ccccc1F ZINC000516517039 923775505 /nfs/dbraw/zinc/77/55/05/923775505.db2.gz MFHZNCIGNWFZCS-UHFFFAOYSA-N 0 0 412.377 4.124 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3C[C@@H]4CCCN4c4ccccc43)cc2[N+](=O)[O-])CC1 ZINC000516526513 923779679 /nfs/dbraw/zinc/77/96/79/923779679.db2.gz USWTXQOAJBZLIL-IBGZPJMESA-N 0 0 420.513 4.460 20 5 HIBDRN O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516627316 923822230 /nfs/dbraw/zinc/82/22/30/923822230.db2.gz IOVYNIPGSHSYOB-UHFFFAOYSA-N 0 0 402.834 4.219 20 5 HIBDRN O=c1[nH]c(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000516658499 923832107 /nfs/dbraw/zinc/83/21/07/923832107.db2.gz JUDTYXROAXXFSA-INIZCTEOSA-N 0 0 421.240 4.128 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC2(C1)Oc1ccccc1O2 ZINC000516680485 923841533 /nfs/dbraw/zinc/84/15/33/923841533.db2.gz OWXMEPGNFXISIH-UHFFFAOYSA-N 0 0 409.320 4.019 20 5 HIBDRN Cc1cc(Br)c2c(c1)CN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000516696943 923851091 /nfs/dbraw/zinc/85/10/91/923851091.db2.gz QJSJGIDRJMLLCA-CYBMUJFWSA-N 0 0 403.276 4.354 20 5 HIBDRN COc1ccc([C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cc1 ZINC000516702324 923853818 /nfs/dbraw/zinc/85/38/18/923853818.db2.gz FCVKAZNFMBQMBF-JOCHJYFZSA-N 0 0 423.444 4.374 20 5 HIBDRN Cc1ccc(C2=NN(C(=O)CSc3ncccc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 ZINC000516715456 923859585 /nfs/dbraw/zinc/85/95/85/923859585.db2.gz LXLOXDQKHPPFRQ-SFHVURJKSA-N 0 0 422.466 4.361 20 5 HIBDRN O=C(CSc1ncccc1[N+](=O)[O-])NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000516715646 923859694 /nfs/dbraw/zinc/85/96/94/923859694.db2.gz ZTWFIAWNSPTZMF-UHFFFAOYSA-N 0 0 403.847 4.312 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000516786314 923886346 /nfs/dbraw/zinc/88/63/46/923886346.db2.gz NYLPNZRRTAZJFH-OAHLLOKOSA-N 0 0 401.271 4.331 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000517021373 923966959 /nfs/dbraw/zinc/96/69/59/923966959.db2.gz ZMKLLNQTYPJJPJ-SJORKVTESA-N 0 0 403.276 4.162 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000517094122 923992589 /nfs/dbraw/zinc/99/25/89/923992589.db2.gz GNVAIMOGXJBMEL-UHFFFAOYSA-N 0 0 423.513 4.439 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000517162879 924031890 /nfs/dbraw/zinc/03/18/90/924031890.db2.gz BPVWCDOJBQTLHR-UHFFFAOYSA-N 0 0 404.369 4.187 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000517164608 924033315 /nfs/dbraw/zinc/03/33/15/924033315.db2.gz ONIKFQOOWPJOKE-FQEVSTJZSA-N 0 0 423.856 4.401 20 5 HIBDRN Cc1cc(NCc2ccncc2OC[C@@H]2CCOC2)c(Br)cc1[N+](=O)[O-] ZINC000517197296 924047792 /nfs/dbraw/zinc/04/77/92/924047792.db2.gz FYFHGSDWRLDZQJ-CYBMUJFWSA-N 0 0 422.279 4.088 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000517208149 924054177 /nfs/dbraw/zinc/05/41/77/924054177.db2.gz VWRRMXWRPFSBDH-UHFFFAOYSA-N 0 0 406.794 4.213 20 5 HIBDRN COc1cc(F)c(F)cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000517207357 924054448 /nfs/dbraw/zinc/05/44/48/924054448.db2.gz VPBIUWRBXXJRSO-UHFFFAOYSA-N 0 0 401.163 4.205 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCc2ccc(F)cc21 ZINC000517365475 924134954 /nfs/dbraw/zinc/13/49/54/924134954.db2.gz QCIIXCMQWUESEG-HNNXBMFYSA-N 0 0 411.355 4.358 20 5 HIBDRN Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cn2)c1 ZINC000517369575 924138027 /nfs/dbraw/zinc/13/80/27/924138027.db2.gz WXOIUTVTAYXLLG-UHFFFAOYSA-N 0 0 421.409 4.058 20 5 HIBDRN CNc1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000517462402 924207585 /nfs/dbraw/zinc/20/75/85/924207585.db2.gz ZLWRDADWSYEZEE-UHFFFAOYSA-N 0 0 405.454 4.488 20 5 HIBDRN O=C(CCc1ccccc1Br)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000517577544 926691521 /nfs/dbraw/zinc/69/15/21/926691521.db2.gz BOACEAAEKRZJOV-UHFFFAOYSA-N 0 0 415.247 4.114 20 5 HIBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccc(OCc2cscn2)c1 ZINC000517579286 926691863 /nfs/dbraw/zinc/69/18/63/926691863.db2.gz FUWVJQNVTTVHGT-UHFFFAOYSA-N 0 0 421.438 4.068 20 5 HIBDRN Cn1cnnc1Sc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1[N+](=O)[O-] ZINC000517611437 926719081 /nfs/dbraw/zinc/71/90/81/926719081.db2.gz INHPWWRGYDGPTD-UHFFFAOYSA-N 0 0 414.834 4.245 20 5 HIBDRN O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1ccccc1[N+](=O)[O-] ZINC000517665184 926771271 /nfs/dbraw/zinc/77/12/71/926771271.db2.gz VMUGTVMJCJXTJX-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000517783981 926834895 /nfs/dbraw/zinc/83/48/95/926834895.db2.gz FKJZSJGFBOWSLS-UHFFFAOYSA-N 0 0 404.257 4.260 20 5 HIBDRN O=C(NCCOc1ccc2cc(Br)ccc2c1)c1csc([N+](=O)[O-])c1 ZINC000517898522 926881419 /nfs/dbraw/zinc/88/14/19/926881419.db2.gz CDTVQFAPMWRDTC-UHFFFAOYSA-N 0 0 421.272 4.381 20 5 HIBDRN Cc1nn(C)c(NCCOc2ccc3cc(Br)ccc3c2)c1[N+](=O)[O-] ZINC000517953269 926902112 /nfs/dbraw/zinc/90/21/12/926902112.db2.gz RVVVGOFSFSHPBL-UHFFFAOYSA-N 0 0 405.252 4.043 20 5 HIBDRN O=C(Nc1nc(C2CCOCC2)cs1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000517981399 926928259 /nfs/dbraw/zinc/92/82/59/926928259.db2.gz CFOGJDCOKIOVCQ-UHFFFAOYSA-N 0 0 405.479 4.284 20 5 HIBDRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000518025031 926964264 /nfs/dbraw/zinc/96/42/64/926964264.db2.gz HJURISSPGUFCBZ-IBGZPJMESA-N 0 0 416.861 4.027 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000518034665 926971612 /nfs/dbraw/zinc/97/16/12/926971612.db2.gz SSCQULSJNRYKDL-LLVKDONJSA-N 0 0 418.475 4.296 20 5 HIBDRN COc1cc(C(=O)NCCOCC2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518136696 927041323 /nfs/dbraw/zinc/04/13/23/927041323.db2.gz UHMUIICAHAOUGO-UHFFFAOYSA-N 0 0 420.849 4.206 20 5 HIBDRN CCCO[C@H]1CCCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000518143843 927043783 /nfs/dbraw/zinc/04/37/83/927043783.db2.gz WZWKRUFTLXUQEV-HKUYNNGSSA-N 0 0 403.523 4.252 20 5 HIBDRN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000518162209 927056711 /nfs/dbraw/zinc/05/67/11/927056711.db2.gz WLVKRIKFKOYACN-UHFFFAOYSA-N 0 0 410.257 4.197 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(c1ccccc1)C1CCCC1 ZINC000518184264 927069952 /nfs/dbraw/zinc/06/99/52/927069952.db2.gz DPMZIAXNTZTYLW-UHFFFAOYSA-N 0 0 409.442 4.259 20 5 HIBDRN COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000518225486 927089863 /nfs/dbraw/zinc/08/98/63/927089863.db2.gz WOSUREIFQHXAQF-MRXNPFEDSA-N 0 0 420.849 4.358 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4CCCN4c4ccccc43)cc2[N+](=O)[O-])C1 ZINC000518287517 927146580 /nfs/dbraw/zinc/14/65/80/927146580.db2.gz RPLSJXPQGGPBTQ-MJGOQNOKSA-N 0 0 420.513 4.460 20 5 HIBDRN CCCc1n[nH]c(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1[N+](=O)[O-] ZINC000518313399 927174592 /nfs/dbraw/zinc/17/45/92/927174592.db2.gz JOOZPUXFQGTUHL-KRWDZBQOSA-N 0 0 417.469 4.314 20 5 HIBDRN Cc1c(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cccc1OCC(F)(F)F ZINC000518314002 927176943 /nfs/dbraw/zinc/17/69/43/927176943.db2.gz ULCIEGODBMTVGK-UHFFFAOYSA-N 0 0 413.352 4.045 20 5 HIBDRN CNC(=O)c1ccc(NC[C@H](C)Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000518316620 927180961 /nfs/dbraw/zinc/18/09/61/927180961.db2.gz PGLHJKJAPZQOIP-NSHDSACASA-N 0 0 424.320 4.310 20 5 HIBDRN COC(=O)c1ccc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 ZINC000518335216 927198814 /nfs/dbraw/zinc/19/88/14/927198814.db2.gz UQZBEGOAHGFPRS-UHFFFAOYSA-N 0 0 408.395 4.222 20 5 HIBDRN CCOC1CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC000518430497 927264383 /nfs/dbraw/zinc/26/43/83/927264383.db2.gz VQTOLJFUGYMEQS-WJDWOHSUSA-N 0 0 423.494 4.383 20 5 HIBDRN CNc1ccc(C(=O)NCc2ccc(Oc3ccccc3OC)cc2)cc1[N+](=O)[O-] ZINC000518438120 927271632 /nfs/dbraw/zinc/27/16/32/927271632.db2.gz VPTMKPSFHFGLNT-UHFFFAOYSA-N 0 0 407.426 4.367 20 5 HIBDRN C[C@@H](NC(=O)NCc1ccc(Oc2cccnc2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000518522554 927323826 /nfs/dbraw/zinc/32/38/26/927323826.db2.gz FJDDJXQOTDRHMD-CQSZACIVSA-N 0 0 410.405 4.482 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000518649378 927403312 /nfs/dbraw/zinc/40/33/12/927403312.db2.gz MDSJQZQSYJTGFS-UHFFFAOYSA-N 0 0 420.447 4.139 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(F)c(F)c1 ZINC000518656194 927410364 /nfs/dbraw/zinc/41/03/64/927410364.db2.gz XAUQTPAQKQOPFF-UHFFFAOYSA-N 0 0 406.332 4.300 20 5 HIBDRN COc1ccc(CN([C@@H](C)C2CC2)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000518657929 927411688 /nfs/dbraw/zinc/41/16/88/927411688.db2.gz HPXJVPUHSBOZBD-ZDUSSCGKSA-N 0 0 424.906 4.246 20 5 HIBDRN C[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000518749709 927474385 /nfs/dbraw/zinc/47/43/85/927474385.db2.gz MOHWJKYGAKLGNZ-INIZCTEOSA-N 0 0 402.458 4.256 20 5 HIBDRN COc1ccc(C2(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000518833258 927529613 /nfs/dbraw/zinc/52/96/13/927529613.db2.gz HZSRQAXWHFWLBY-UHFFFAOYSA-N 0 0 423.391 4.230 20 5 HIBDRN CCN(Cc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(C)=O ZINC000518833119 927529727 /nfs/dbraw/zinc/52/97/27/927529727.db2.gz YZORNVDFBMEINK-ZDUSSCGKSA-N 0 0 419.865 4.023 20 5 HIBDRN Cc1cc(C)n2ncc(-c3noc([C@@H](C)Oc4ccc(Cl)cc4[N+](=O)[O-])n3)c2n1 ZINC000518877132 927590044 /nfs/dbraw/zinc/59/00/44/927590044.db2.gz YTAANBLAXAOGQH-LLVKDONJSA-N 0 0 414.809 4.098 20 5 HIBDRN Cc1cccc(Cn2nccc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000518880383 927593562 /nfs/dbraw/zinc/59/35/62/927593562.db2.gz ZCWOATKFUVEUII-AWEZNQCLSA-N 0 0 414.849 4.207 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000518891924 927602973 /nfs/dbraw/zinc/60/29/73/927602973.db2.gz RIRMYDFFIHRMRQ-QGZVFWFLSA-N 0 0 420.450 4.436 20 5 HIBDRN Cn1cc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000518929053 927637199 /nfs/dbraw/zinc/63/71/99/927637199.db2.gz XHBWNIDWTCXOON-MRXNPFEDSA-N 0 0 410.861 4.278 20 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COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000519109537 927779098 /nfs/dbraw/zinc/77/90/98/927779098.db2.gz BJXDVRVLMQXWSO-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000519162163 927807324 /nfs/dbraw/zinc/80/73/24/927807324.db2.gz LBECVSROCNLTHM-JOCHJYFZSA-N 0 0 416.412 4.439 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000519618663 928030392 /nfs/dbraw/zinc/03/03/92/928030392.db2.gz TYKVKEHAJAWPPR-IBGZPJMESA-N 0 0 415.877 4.407 20 5 HIBDRN Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2)o1 ZINC000519630322 928032298 /nfs/dbraw/zinc/03/22/98/928032298.db2.gz VMIPJJGSDWEASK-UHFFFAOYSA-N 0 0 421.453 4.111 20 5 HIBDRN CCSc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)cc1 ZINC000519734798 928063980 /nfs/dbraw/zinc/06/39/80/928063980.db2.gz DVNSWFWDFQULGM-UHFFFAOYSA-N 0 0 412.471 4.260 20 5 HIBDRN O=C1CCC(=O)N1c1ccc(-c2nc(-c3cccc4ccccc43)no2)cc1[N+](=O)[O-] ZINC000519785399 928075584 /nfs/dbraw/zinc/07/55/84/928075584.db2.gz URBNTWQKRHRKGG-UHFFFAOYSA-N 0 0 414.377 4.118 20 5 HIBDRN CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000519882926 928114027 /nfs/dbraw/zinc/11/40/27/928114027.db2.gz LSDBHUOKPVTHLU-UHFFFAOYSA-N 0 0 419.684 4.226 20 5 HIBDRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc([N+](=O)[O-])cc1F ZINC000519880062 928115393 /nfs/dbraw/zinc/11/53/93/928115393.db2.gz ZMDJKIQNQMWTLU-UHFFFAOYSA-N 0 0 408.798 4.168 20 5 HIBDRN COc1ccc(CSCC(=O)N(Cc2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000519883179 928116963 /nfs/dbraw/zinc/11/69/63/928116963.db2.gz KOORHOOZSWNLFV-UHFFFAOYSA-N 0 0 406.479 4.413 20 5 HIBDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000519891161 928124940 /nfs/dbraw/zinc/12/49/40/928124940.db2.gz LLZOZGSKDGKZNX-SNVBAGLBSA-N 0 0 406.357 4.134 20 5 HIBDRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000519945608 928178064 /nfs/dbraw/zinc/17/80/64/928178064.db2.gz NIIICVPGMFBJAL-SFHVURJKSA-N 0 0 404.850 4.323 20 5 HIBDRN CNc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000519978988 928205979 /nfs/dbraw/zinc/20/59/79/928205979.db2.gz BXJVHNJPVRPLCD-UHFFFAOYSA-N 0 0 410.474 4.085 20 5 HIBDRN COc1ccc(CC[C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000520024923 928247789 /nfs/dbraw/zinc/24/77/89/928247789.db2.gz WZYZPVBLFUCNOL-GOSISDBHSA-N 0 0 414.505 4.301 20 5 HIBDRN COCCOc1c(Cl)cccc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000520029374 928252210 /nfs/dbraw/zinc/25/22/10/928252210.db2.gz UMJCBXUKTRFYDA-ZDUSSCGKSA-N 0 0 407.854 4.021 20 5 HIBDRN COc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000520155899 928348247 /nfs/dbraw/zinc/34/82/47/928348247.db2.gz DIUTWKUAGPIHKW-NSHDSACASA-N 0 0 418.393 4.004 20 5 HIBDRN CCCN(Cc1ccccc1Br)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000520156217 928348544 /nfs/dbraw/zinc/34/85/44/928348544.db2.gz WPWALFJAHQDJAC-UHFFFAOYSA-N 0 0 419.322 4.020 20 5 HIBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000520270278 928434919 /nfs/dbraw/zinc/43/49/19/928434919.db2.gz CTMGVWBKSZXCIF-UHFFFAOYSA-N 0 0 409.423 4.273 20 5 HIBDRN Cc1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccc(F)cc1F ZINC000520281719 928444380 /nfs/dbraw/zinc/44/43/80/928444380.db2.gz BZVNCRARMKOVQZ-LBPRGKRZSA-N 0 0 401.373 4.250 20 5 HIBDRN CCOc1ccc(Br)cc1-c1noc(-c2cccc([N+](=O)[O-])c2OC)n1 ZINC000520284221 928447160 /nfs/dbraw/zinc/44/71/60/928447160.db2.gz CZRCNLKGIRXDOK-UHFFFAOYSA-N 0 0 420.219 4.482 20 5 HIBDRN Cc1ccc(CN2C[C@@H](C(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)CC2=O)cc1 ZINC000520314779 928476838 /nfs/dbraw/zinc/47/68/38/928476838.db2.gz PPAIQNIUNACZFX-IBGZPJMESA-N 0 0 421.497 4.228 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000520326085 928489729 /nfs/dbraw/zinc/48/97/29/928489729.db2.gz KNVSVOSSZOONIB-LBPRGKRZSA-N 0 0 414.270 4.206 20 5 HIBDRN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2Nc2cnn(Cc3ccc(Cl)cc3)c2)n1 ZINC000520332952 928496180 /nfs/dbraw/zinc/49/61/80/928496180.db2.gz RPNMRMOMYOVDGY-QZTJIDSGSA-N 0 0 400.870 4.285 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000520390659 928542290 /nfs/dbraw/zinc/54/22/90/928542290.db2.gz GKSWRLDQYMIPNZ-VLIAUNLRSA-N 0 0 411.845 4.316 20 5 HIBDRN CCCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H](C)c1ccccc1OC ZINC000520395133 928544869 /nfs/dbraw/zinc/54/48/69/928544869.db2.gz BEBOOTCHCDDINB-CQSZACIVSA-N 0 0 409.442 4.471 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000520409939 928550619 /nfs/dbraw/zinc/55/06/19/928550619.db2.gz GIAMFYHELJCKSF-MEBBXXQBSA-N 0 0 402.756 4.435 20 5 HIBDRN O=C(COc1cc(Cl)ccc1Cl)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000520502623 928605460 /nfs/dbraw/zinc/60/54/60/928605460.db2.gz JOAUZKRSCMBSGZ-UHFFFAOYSA-N 0 0 407.213 4.105 20 5 HIBDRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3C)n2)c(F)c1 ZINC000520713932 928762595 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O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000521076931 928976490 /nfs/dbraw/zinc/97/64/90/928976490.db2.gz NOFAUDRPDZHZSH-GFCCVEGCSA-N 0 0 424.682 4.019 20 5 HIBDRN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000521080150 928979292 /nfs/dbraw/zinc/97/92/92/928979292.db2.gz MYNWNCGVZFDEBN-ZUOKHONESA-N 0 0 415.877 4.425 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000521193065 929053611 /nfs/dbraw/zinc/05/36/11/929053611.db2.gz DJYDIQPUSDPTQO-OAHLLOKOSA-N 0 0 405.410 4.203 20 5 HIBDRN CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000521249532 929081714 /nfs/dbraw/zinc/08/17/14/929081714.db2.gz VUWMLZZNJDUBCE-HKUYNNGSSA-N 0 0 403.523 4.252 20 5 HIBDRN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000521250453 929082392 /nfs/dbraw/zinc/08/23/92/929082392.db2.gz YGLTZSGIELQHIB-SNVBAGLBSA-N 0 0 412.851 4.201 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(c2ccccc2)C2CCCC2)cc1OC ZINC000521274514 929093724 /nfs/dbraw/zinc/09/37/24/929093724.db2.gz BNBPYTMPGFPXTQ-UHFFFAOYSA-N 0 0 414.458 4.218 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccc(F)cc2)n1 ZINC000521275887 929095084 /nfs/dbraw/zinc/09/50/84/929095084.db2.gz XESMTRLCNMGUOS-LBPRGKRZSA-N 0 0 418.812 4.287 20 5 HIBDRN CCCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000521278214 929095763 /nfs/dbraw/zinc/09/57/63/929095763.db2.gz LNEYMYACIUHKMO-ZDUSSCGKSA-N 0 0 422.865 4.129 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1cscn1)c1ccccc1 ZINC000521280298 929096781 /nfs/dbraw/zinc/09/67/81/929096781.db2.gz QWVYUTYYAMRWTE-UHFFFAOYSA-N 0 0 408.483 4.499 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Cl)cc2OCC(F)F)c([N+](=O)[O-])cc1OC ZINC000521313342 929125960 /nfs/dbraw/zinc/12/59/60/929125960.db2.gz QWFJVEYLMQZDGU-UHFFFAOYSA-N 0 0 416.764 4.162 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000521326709 929140645 /nfs/dbraw/zinc/14/06/45/929140645.db2.gz 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XRHKAZFYUXUYKT-SFHVURJKSA-N 0 0 415.471 4.001 20 5 HIBDRN COc1ccc(S(=O)(=O)N(Cc2ccc(C)o2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000521748337 929408974 /nfs/dbraw/zinc/40/89/74/929408974.db2.gz FKGITPUVMOOGGE-UHFFFAOYSA-N 0 0 420.418 4.039 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000521771080 929431175 /nfs/dbraw/zinc/43/11/75/929431175.db2.gz WVQNXICVXQDJSV-UHFFFAOYSA-N 0 0 418.368 4.106 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)c1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000521797132 929457246 /nfs/dbraw/zinc/45/72/46/929457246.db2.gz AXAYYUKJHSRAEX-KSSFIOAISA-N 0 0 402.422 4.037 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000521833820 929485115 /nfs/dbraw/zinc/48/51/15/929485115.db2.gz QDKRCKVGNXDTGC-SFHVURJKSA-N 0 0 405.401 4.116 20 5 HIBDRN O=C(Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1)Nc1ccccc1F ZINC000521837111 929490085 /nfs/dbraw/zinc/49/00/85/929490085.db2.gz KQYXWUKRMVQIOX-UHFFFAOYSA-N 0 0 411.364 4.307 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccco1 ZINC000521841457 929492873 /nfs/dbraw/zinc/49/28/73/929492873.db2.gz KIIWTUDLGDWFQR-UHFFFAOYSA-N 0 0 403.753 4.485 20 5 HIBDRN CC(C)[C@@]1(CO)CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000521933694 929573297 /nfs/dbraw/zinc/57/32/97/929573297.db2.gz GNKUOMPIVUSJCC-QHCPKHFHSA-N 0 0 412.486 4.045 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000522055707 929625188 /nfs/dbraw/zinc/62/51/88/929625188.db2.gz DHABIHCOIRDMAH-UHFFFAOYSA-N 0 0 417.462 4.092 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1(c2cccc(Br)c2)CC1 ZINC000524508542 929657065 /nfs/dbraw/zinc/65/70/65/929657065.db2.gz HCMPGMJDQMBXLY-UHFFFAOYSA-N 0 0 421.316 4.297 20 5 HIBDRN Cc1cccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000524549986 929678874 /nfs/dbraw/zinc/67/88/74/929678874.db2.gz ALRTXXDPCIQIBR-LAUBAEHRSA-N 0 0 409.486 4.002 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000524557925 929686918 /nfs/dbraw/zinc/68/69/18/929686918.db2.gz BGOFZMQNONIKLH-SFHVURJKSA-N 0 0 401.850 4.153 20 5 HIBDRN O=C(Nc1ccc(-c2cncnc2)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000524574207 929695502 /nfs/dbraw/zinc/69/55/02/929695502.db2.gz JSSDWSNBBLPHKH-UHFFFAOYSA-N 0 0 403.423 4.428 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl ZINC000524583155 929698081 /nfs/dbraw/zinc/69/80/81/929698081.db2.gz IJMJTFNJPVGUOV-UHFFFAOYSA-N 0 0 424.844 4.481 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1SCCC(N)=O ZINC000524634673 929745212 /nfs/dbraw/zinc/74/52/12/929745212.db2.gz PMKBIRYIBYLIGO-UHFFFAOYSA-N 0 0 416.503 4.005 20 5 HIBDRN Cc1cc(C)n2ncc(-c3noc(-c4csc(-c5ccc([N+](=O)[O-])cc5)n4)n3)c2n1 ZINC000524638884 929749789 /nfs/dbraw/zinc/74/97/89/929749789.db2.gz BWLDRZLLJFBTLW-UHFFFAOYSA-N 0 0 419.426 4.095 20 5 HIBDRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000524644040 929757065 /nfs/dbraw/zinc/75/70/65/929757065.db2.gz XXMDDRMGMXLPNC-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccco2)Cc2cccc(C)c2)cc([N+](=O)[O-])c1OC ZINC000524645033 929758125 /nfs/dbraw/zinc/75/81/25/929758125.db2.gz BSKJOFOQZDZDSU-UHFFFAOYSA-N 0 0 410.426 4.356 20 5 HIBDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000524690830 929801036 /nfs/dbraw/zinc/80/10/36/929801036.db2.gz ULPZDQGNRUVHJC-CYBMUJFWSA-N 0 0 411.380 4.395 20 5 HIBDRN CN(C(=O)c1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1)c1ccccc1 ZINC000524706224 929805721 /nfs/dbraw/zinc/80/57/21/929805721.db2.gz LIVUBMTUJODLPI-UHFFFAOYSA-N 0 0 401.422 4.074 20 5 HIBDRN O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000524862669 929862689 /nfs/dbraw/zinc/86/26/89/929862689.db2.gz UYURZRQPQKJRHS-SFHVURJKSA-N 0 0 408.385 4.176 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(Br)c2)CC1 ZINC000524891673 929875752 /nfs/dbraw/zinc/87/57/52/929875752.db2.gz BZOGEJBDQWWHTO-UHFFFAOYSA-N 0 0 418.291 4.355 20 5 HIBDRN O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000524966042 929931028 /nfs/dbraw/zinc/93/10/28/929931028.db2.gz CLPRFJFDEVWEGX-MRXNPFEDSA-N 0 0 424.766 4.467 20 5 HIBDRN COc1cc(C(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1OC ZINC000525039167 929994964 /nfs/dbraw/zinc/99/49/64/929994964.db2.gz IHLBCRVJCRGOJE-LLVKDONJSA-N 0 0 412.364 4.464 20 5 HIBDRN COc1cc(C(=O)NCc2ccccc2OCc2ccccc2)cc([N+](=O)[O-])c1OC ZINC000525045023 930000256 /nfs/dbraw/zinc/00/02/56/930000256.db2.gz PCHWBYBQGAUCIZ-UHFFFAOYSA-N 0 0 422.437 4.121 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 ZINC000525046009 930000704 /nfs/dbraw/zinc/00/07/04/930000704.db2.gz LJZJBZSVLKYYEU-HNNXBMFYSA-N 0 0 409.486 4.304 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl ZINC000525066088 930013604 /nfs/dbraw/zinc/01/36/04/930013604.db2.gz HHTXIGZXBWSJLQ-UHFFFAOYSA-N 0 0 418.881 4.440 20 5 HIBDRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000525066867 930014207 /nfs/dbraw/zinc/01/42/07/930014207.db2.gz JAIRTPHYTDMKMZ-UHFFFAOYSA-N 0 0 415.247 4.049 20 5 HIBDRN CCc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000525114414 930044812 /nfs/dbraw/zinc/04/48/12/930044812.db2.gz VMHUWCLFVFDNBG-GFCCVEGCSA-N 0 0 407.264 4.176 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000525117415 930046551 /nfs/dbraw/zinc/04/65/51/930046551.db2.gz QCJHUMNQJLXHAF-HZPDHXFCSA-N 0 0 423.450 4.232 20 5 HIBDRN CCC[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000525156267 930069471 /nfs/dbraw/zinc/06/94/71/930069471.db2.gz ZVPMXGGOGRLBES-FQEVSTJZSA-N 0 0 424.501 4.041 20 5 HIBDRN O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000525163226 930072810 /nfs/dbraw/zinc/07/28/10/930072810.db2.gz QBXWAFAXPATQOZ-UHFFFAOYSA-N 0 0 402.378 4.079 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCc3ncc(C)s3)cc2[N+](=O)[O-])n1 ZINC000525169970 930074495 /nfs/dbraw/zinc/07/44/95/930074495.db2.gz NVDGHEMKNFUONE-UHFFFAOYSA-N 0 0 406.514 4.206 20 5 HIBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000525175173 930076402 /nfs/dbraw/zinc/07/64/02/930076402.db2.gz KYAOCMZTGJHJMQ-NRFANRHFSA-N 0 0 419.462 4.211 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1 ZINC000525261457 930115463 /nfs/dbraw/zinc/11/54/63/930115463.db2.gz QLZWVWAZSBAYTE-UHFFFAOYSA-N 0 0 402.863 4.467 20 5 HIBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000525297632 930141739 /nfs/dbraw/zinc/14/17/39/930141739.db2.gz WNAZZBBAMBUZEU-UHFFFAOYSA-N 0 0 419.428 4.406 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1SC ZINC000525336124 930172901 /nfs/dbraw/zinc/17/29/01/930172901.db2.gz NGVCCFMOFOHUFO-TVQRCGJNSA-N 0 0 410.854 4.404 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000525353477 930191321 /nfs/dbraw/zinc/19/13/21/930191321.db2.gz VFUDPPPBSUWLDC-UNMCSNQZSA-N 0 0 411.502 4.385 20 5 HIBDRN C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000525354354 930192864 /nfs/dbraw/zinc/19/28/64/930192864.db2.gz HUDJHOJIYIEEGK-QGZVFWFLSA-N 0 0 424.501 4.105 20 5 HIBDRN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000525489287 930276411 /nfs/dbraw/zinc/27/64/11/930276411.db2.gz BJRVZVVMNGIVGD-OAHLLOKOSA-N 0 0 418.877 4.117 20 5 HIBDRN CCCN(C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1OC ZINC000525557419 930325942 /nfs/dbraw/zinc/32/59/42/930325942.db2.gz NGEMYEJIGUEHDD-AWEZNQCLSA-N 0 0 402.447 4.234 20 5 HIBDRN O=C(NC[C@@H]1CCC[C@@H](O)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000525569180 930335753 /nfs/dbraw/zinc/33/57/53/930335753.db2.gz LBAAZKGNVVFLFS-RHSMWYFYSA-N 0 0 417.893 4.141 20 5 HIBDRN O=C(NC[C@H]1CCC[C@@H](O)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000525569181 930335914 /nfs/dbraw/zinc/33/59/14/930335914.db2.gz LBAAZKGNVVFLFS-WMLDXEAASA-N 0 0 417.893 4.141 20 5 HIBDRN COC[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(C)C ZINC000525581780 930344427 /nfs/dbraw/zinc/34/44/27/930344427.db2.gz PZFGLFYEVPJQED-GOSISDBHSA-N 0 0 405.882 4.261 20 5 HIBDRN COc1ccc(C[C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC ZINC000525594660 930353366 /nfs/dbraw/zinc/35/33/66/930353366.db2.gz DZNXITIVJNOBKU-LBPRGKRZSA-N 0 0 400.456 4.188 20 5 HIBDRN Cc1nn(C)c(C(=O)N[C@@H](c2ccc(F)c(C)c2)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000525600400 930355486 /nfs/dbraw/zinc/35/54/86/930355486.db2.gz UUWADEHAVCMGGT-KRWDZBQOSA-N 0 0 416.840 4.257 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](c2ccc(F)cc2)O1 ZINC000525606735 930359057 /nfs/dbraw/zinc/35/90/57/930359057.db2.gz SHCHTZJPXVLDHK-PIGZYNQJSA-N 0 0 423.238 4.099 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cnc2ccsc2c1)c1ccccc1[N+](=O)[O-] ZINC000525650707 930383135 /nfs/dbraw/zinc/38/31/35/930383135.db2.gz AMLUSEPOZRMPPS-MRXNPFEDSA-N 0 0 413.455 4.017 20 5 HIBDRN COc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(OCc2ccccc2)c1 ZINC000525887013 930476520 /nfs/dbraw/zinc/47/65/20/930476520.db2.gz WUKIYYRRWBFSIC-UHFFFAOYSA-N 0 0 422.393 4.163 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)NCc3nc4cccnc4[nH]3)cc2[N+](=O)[O-])cc1 ZINC000526016029 930507513 /nfs/dbraw/zinc/50/75/13/930507513.db2.gz NHQZVUXRIUNWBG-UHFFFAOYSA-N 0 0 419.466 4.256 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(c2cccc(Cl)c2)CC1 ZINC000526032305 930511180 /nfs/dbraw/zinc/51/11/80/930511180.db2.gz BWIDPUIWERCWQT-UHFFFAOYSA-N 0 0 402.834 4.039 20 5 HIBDRN CCOC(=O)[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000526091921 930527330 /nfs/dbraw/zinc/52/73/30/930527330.db2.gz CJAGDTIUWRRFBU-RDTXWAMCSA-N 0 0 414.483 4.159 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000527281173 930624893 /nfs/dbraw/zinc/62/48/93/930624893.db2.gz BRWKNHXBLSGZCE-GOSISDBHSA-N 0 0 419.481 4.373 20 5 HIBDRN C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000527492394 930668389 /nfs/dbraw/zinc/66/83/89/930668389.db2.gz PRRLHKBUXSQRBF-LLVKDONJSA-N 0 0 417.874 4.070 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1[N+](=O)[O-] ZINC000530296921 930678317 /nfs/dbraw/zinc/67/83/17/930678317.db2.gz OFSVYGXCYUVDRE-UHFFFAOYSA-N 0 0 422.407 4.094 20 5 HIBDRN CCCCOc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cl ZINC000530324234 930683557 /nfs/dbraw/zinc/68/35/57/930683557.db2.gz QIOVGQXNWQCCSP-UHFFFAOYSA-N 0 0 406.822 4.086 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000530408741 930703059 /nfs/dbraw/zinc/70/30/59/930703059.db2.gz KFFLIHZLFLCNRY-AEFFLSMTSA-N 0 0 406.845 4.263 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000530408745 930703522 /nfs/dbraw/zinc/70/35/22/930703522.db2.gz KFFLIHZLFLCNRY-WMZOPIPTSA-N 0 0 406.845 4.263 20 5 HIBDRN CCN1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000530466450 930721117 /nfs/dbraw/zinc/72/11/17/930721117.db2.gz ADKPPEQDDBZNNG-VQIMIIECSA-N 0 0 422.407 4.278 20 5 HIBDRN COc1ccc(CC(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000530580652 930757147 /nfs/dbraw/zinc/75/71/47/930757147.db2.gz YGYXHTHBLJDWLA-ZDUSSCGKSA-N 0 0 410.392 4.475 20 5 HIBDRN C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000530750129 930816095 /nfs/dbraw/zinc/81/60/95/930816095.db2.gz ADCLHKBSUMCRCQ-SNVBAGLBSA-N 0 0 411.805 4.271 20 5 HIBDRN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000530786542 930823099 /nfs/dbraw/zinc/82/30/99/930823099.db2.gz ZLNJTVXPIZOWMV-MRXNPFEDSA-N 0 0 418.453 4.052 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000530802970 930827319 /nfs/dbraw/zinc/82/73/19/930827319.db2.gz GSTDITFCJYEXNT-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000530828869 930833905 /nfs/dbraw/zinc/83/39/05/930833905.db2.gz LQHDGDUQEIKNDG-SFTDATJTSA-N 0 0 419.485 4.317 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000530834432 930835849 /nfs/dbraw/zinc/83/58/49/930835849.db2.gz HJTRYVAZANOOKO-UHFFFAOYSA-N 0 0 413.318 4.130 20 5 HIBDRN CC[C@@H](C)c1ccc(N(C[C@H]2CCOC2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000530872940 930845026 /nfs/dbraw/zinc/84/50/26/930845026.db2.gz OEVHXLHGYLYUBL-IAGOWNOFSA-N 0 0 418.515 4.340 20 5 HIBDRN O=C(Nc1ccc(CNc2ccccc2)cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000530880848 930848498 /nfs/dbraw/zinc/84/84/98/930848498.db2.gz YTBBVTHEASSHPP-UHFFFAOYSA-N 0 0 405.410 4.230 20 5 HIBDRN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562397122 945069929 /nfs/dbraw/zinc/06/99/29/945069929.db2.gz GBRCBHDSLFFWNE-ZDUSSCGKSA-N 0 0 400.385 4.168 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CNc3cc(F)ccc3OCC(F)(F)F)n2)cc1 ZINC000530966774 930871051 /nfs/dbraw/zinc/87/10/51/930871051.db2.gz VQXVKQQJSKUMCO-UHFFFAOYSA-N 0 0 412.299 4.337 20 5 HIBDRN C[C@@H](NC(=O)NCCc1nc2cc(Cl)ccc2s1)c1cccc([N+](=O)[O-])c1 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423.856 4.359 20 5 HIBDRN COc1cc(-c2noc(COc3ccc([N+](=O)[O-])cc3C)n2)ccc1OC(F)F ZINC000533674639 931963525 /nfs/dbraw/zinc/96/35/25/931963525.db2.gz CEZXFOCCEISNNS-UHFFFAOYSA-N 0 0 407.329 4.142 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000533695615 931974479 /nfs/dbraw/zinc/97/44/79/931974479.db2.gz YGLKJNGFDAKEAD-CQSZACIVSA-N 0 0 411.549 4.482 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000533695614 931974711 /nfs/dbraw/zinc/97/47/11/931974711.db2.gz YGLKJNGFDAKEAD-AWEZNQCLSA-N 0 0 411.549 4.482 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000533700588 931977799 /nfs/dbraw/zinc/97/77/99/931977799.db2.gz RYTXMGMXMKFJPL-AWEZNQCLSA-N 0 0 411.549 4.482 20 5 HIBDRN COc1cc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc([N+](=O)[O-])c1OC ZINC000533726503 931992758 /nfs/dbraw/zinc/99/27/58/931992758.db2.gz GVURBRDJNCSMAH-GFCCVEGCSA-N 0 0 407.492 4.334 20 5 HIBDRN 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ZINC000533863349 932069198 /nfs/dbraw/zinc/06/91/98/932069198.db2.gz TZMWRFQKFGFYIE-QGZVFWFLSA-N 0 0 416.275 4.113 20 5 HIBDRN O=C(Cc1csc2nc(-c3ccccc3)cn12)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533871597 932073552 /nfs/dbraw/zinc/07/35/52/932073552.db2.gz FCBYMYWIUHAWNV-UHFFFAOYSA-N 0 0 418.478 4.098 20 5 HIBDRN Cc1nn(CCC(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000533877687 932076102 /nfs/dbraw/zinc/07/61/02/932076102.db2.gz CYIOASGQKPVWMM-JOCHJYFZSA-N 0 0 418.497 4.167 20 5 HIBDRN Cc1nnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000533887856 932082037 /nfs/dbraw/zinc/08/20/37/932082037.db2.gz IDACBJSCKACTLV-XJKCOSOUSA-N 0 0 403.508 4.365 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000533893475 932085809 /nfs/dbraw/zinc/08/58/09/932085809.db2.gz YUZHDBHDYXRUST-LJQANCHMSA-N 0 0 415.396 4.414 20 5 HIBDRN COc1ccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC1CCCC1 ZINC000533897861 932088273 /nfs/dbraw/zinc/08/82/73/932088273.db2.gz XMMZWPUVSGRZRC-UHFFFAOYSA-N 0 0 423.469 4.265 20 5 HIBDRN COc1cc(F)cc2sc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)nc21 ZINC000533942430 932116268 /nfs/dbraw/zinc/11/62/68/932116268.db2.gz ATHXTPYIARQUFZ-UHFFFAOYSA-N 0 0 400.391 4.015 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(OCc2cscn2)c1 ZINC000533961715 932135698 /nfs/dbraw/zinc/13/56/98/932135698.db2.gz YHKLBNJZHLCJGG-UHFFFAOYSA-N 0 0 408.439 4.293 20 5 HIBDRN COc1cccc(Oc2ncccc2CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000562400292 945070244 /nfs/dbraw/zinc/07/02/44/945070244.db2.gz BHOIOVQJVYUHDB-HNNXBMFYSA-N 0 0 407.426 4.211 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCc1csc(-c2ccccc2)n1 ZINC000533989430 932168124 /nfs/dbraw/zinc/16/81/24/932168124.db2.gz PUQCPJWDMZCMRZ-UHFFFAOYSA-N 0 0 406.467 4.101 20 5 HIBDRN O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCCc1cccc([N+](=O)[O-])c1 ZINC000533992844 932171519 /nfs/dbraw/zinc/17/15/19/932171519.db2.gz UWCOMIPARWNVRW-UHFFFAOYSA-N 0 0 407.904 4.335 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000533997653 932176980 /nfs/dbraw/zinc/17/69/80/932176980.db2.gz MHAFCWJYJSGJFN-CJNGLKHVSA-N 0 0 420.453 4.261 20 5 HIBDRN CCO[C@H](C)c1nc(C[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cs1 ZINC000534061179 932240676 /nfs/dbraw/zinc/24/06/76/932240676.db2.gz VHXKXAMBNBEQSW-YASQENCXSA-N 0 0 421.500 4.253 20 5 HIBDRN CCO[C@H](C)c1nc(C[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cs1 ZINC000534061176 932240869 /nfs/dbraw/zinc/24/08/69/932240869.db2.gz VHXKXAMBNBEQSW-BODITIBLSA-N 0 0 421.500 4.253 20 5 HIBDRN CN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000534146012 932302254 /nfs/dbraw/zinc/30/22/54/932302254.db2.gz HTOKAENHKWGEBC-UHFFFAOYSA-N 0 0 416.481 4.398 20 5 HIBDRN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1OC(F)F ZINC000534212710 932335012 /nfs/dbraw/zinc/33/50/12/932335012.db2.gz PWFONBZMAUQKFD-UHFFFAOYSA-N 0 0 406.263 4.233 20 5 HIBDRN CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000534220227 932339622 /nfs/dbraw/zinc/33/96/22/932339622.db2.gz CYVOFUYSTUKFIS-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnn([C@H](C)CC)c2C2CC2)cc1OC ZINC000534263205 932371613 /nfs/dbraw/zinc/37/16/13/932371613.db2.gz AKNPQUHPCBQFTE-GFCCVEGCSA-N 0 0 402.451 4.299 20 5 HIBDRN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)c1ccccc1C(F)(F)F ZINC000534300352 932378660 /nfs/dbraw/zinc/37/86/60/932378660.db2.gz VFVIYOXMPZSHGM-GHMZBOCLSA-N 0 0 410.348 4.264 20 5 HIBDRN COC(=O)c1cc(N2CCC[C@H]2Cn2c(C)nc3ccccc32)cc(C)c1[N+](=O)[O-] ZINC000534397166 932422781 /nfs/dbraw/zinc/42/27/81/932422781.db2.gz JKISHTQJYCLDBM-INIZCTEOSA-N 0 0 408.458 4.017 20 5 HIBDRN COc1ccc(CNC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc1[N+](=O)[O-] ZINC000534446385 932460746 /nfs/dbraw/zinc/46/07/46/932460746.db2.gz ITCUCXJYEFYWRM-CYBMUJFWSA-N 0 0 406.508 4.394 20 5 HIBDRN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000534507525 932537631 /nfs/dbraw/zinc/53/76/31/932537631.db2.gz YYERMGQKOXKYRM-UHFFFAOYSA-N 0 0 404.348 4.242 20 5 HIBDRN Cc1ccc(OCc2nc(CC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)cs2)cc1 ZINC000534552249 932558808 /nfs/dbraw/zinc/55/88/08/932558808.db2.gz IYJIXBWKYFBIBM-UHFFFAOYSA-N 0 0 423.494 4.066 20 5 HIBDRN O=C(c1cccc(-c2c(F)cccc2F)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000534553945 932560819 /nfs/dbraw/zinc/56/08/19/932560819.db2.gz FTOODZKITPTSMQ-MRXNPFEDSA-N 0 0 424.407 4.262 20 5 HIBDRN O=C(Nc1ccc(OCc2ccncc2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534567743 932570248 /nfs/dbraw/zinc/57/02/48/932570248.db2.gz GUDDJKCPKZPZOC-UHFFFAOYSA-N 0 0 404.426 4.159 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000534593683 932581341 /nfs/dbraw/zinc/58/13/41/932581341.db2.gz SOXKQFYOTGYSAN-KRWDZBQOSA-N 0 0 400.479 4.317 20 5 HIBDRN C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000534610064 932593885 /nfs/dbraw/zinc/59/38/85/932593885.db2.gz AYAODHANYOJJRW-CYBMUJFWSA-N 0 0 411.380 4.139 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)NCCc2cccc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000534609789 932594160 /nfs/dbraw/zinc/59/41/60/932594160.db2.gz INYDRFQPKNICAB-MRXNPFEDSA-N 0 0 415.490 4.241 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc(COCc2ccccc2)cc1 ZINC000534610660 932595655 /nfs/dbraw/zinc/59/56/55/932595655.db2.gz HCBMLANYGMQRJJ-UHFFFAOYSA-N 0 0 419.481 4.354 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000534623886 932605964 /nfs/dbraw/zinc/60/59/64/932605964.db2.gz RVUBDAALFRCYCR-UHFFFAOYSA-N 0 0 420.469 4.274 20 5 HIBDRN COc1ccc(CNc2ccnn2Cc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000534646907 932618516 /nfs/dbraw/zinc/61/85/16/932618516.db2.gz JNADHMAEJGWJDX-UHFFFAOYSA-N 0 0 422.363 4.359 20 5 HIBDRN O=C(C1CCC(F)(F)CC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000534649771 932622514 /nfs/dbraw/zinc/62/25/14/932622514.db2.gz YDQAONAMNJRMCZ-UHFFFAOYSA-N 0 0 421.366 4.088 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000534713129 932682629 /nfs/dbraw/zinc/68/26/29/932682629.db2.gz BQMYKOUKCXVNKU-IBGZPJMESA-N 0 0 421.457 4.124 20 5 HIBDRN C[C@H](Cc1ccccc1Br)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534721099 932690364 /nfs/dbraw/zinc/69/03/64/932690364.db2.gz FSONCEDHCPOXPP-GFCCVEGCSA-N 0 0 416.275 4.129 20 5 HIBDRN COc1ccc(OC)c(CCCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000534727504 932695330 /nfs/dbraw/zinc/69/53/30/932695330.db2.gz NMFJSDBJAWGFOH-UHFFFAOYSA-N 0 0 415.490 4.165 20 5 HIBDRN O=C(CCSc1ccccc1Br)NCCc1cccc([N+](=O)[O-])c1 ZINC000534733505 932701552 /nfs/dbraw/zinc/70/15/52/932701552.db2.gz MDLIMSBSOILPGK-UHFFFAOYSA-N 0 0 409.305 4.198 20 5 HIBDRN COc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Br ZINC000534734688 932702627 /nfs/dbraw/zinc/70/26/27/932702627.db2.gz BREVLAKNTZYWQY-UHFFFAOYSA-N 0 0 404.220 4.028 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000534733859 932703175 /nfs/dbraw/zinc/70/31/75/932703175.db2.gz MYYFORWINHQAPB-ZIAGYGMSSA-N 0 0 406.866 4.019 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)cc1OC ZINC000534773358 932753238 /nfs/dbraw/zinc/75/32/38/932753238.db2.gz VIXZPMNUTBGZLH-HXUWFJFHSA-N 0 0 402.422 4.331 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCc2c3ccccc3[nH]c2C1 ZINC000534778761 932759998 /nfs/dbraw/zinc/75/99/98/932759998.db2.gz BRBMHLYXRGFDKL-UHFFFAOYSA-N 0 0 407.473 4.221 20 5 HIBDRN COc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)sc1Br ZINC000534787799 932770057 /nfs/dbraw/zinc/77/00/57/932770057.db2.gz NLVDDUKHDAAPJN-UHFFFAOYSA-N 0 0 411.277 4.232 20 5 HIBDRN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534791701 932772732 /nfs/dbraw/zinc/77/27/32/932772732.db2.gz QXLVLWJPSFPVMP-UHFFFAOYSA-N 0 0 418.192 4.353 20 5 HIBDRN Cc1ccc2nc(SCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)n(C)c(=O)c2c1 ZINC000534791281 932772803 /nfs/dbraw/zinc/77/28/03/932772803.db2.gz TXOULGIIGKZJRT-UHFFFAOYSA-N 0 0 408.439 4.097 20 5 HIBDRN C[S@](=O)Cc1ccc(Cl)c(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000534793487 932773984 /nfs/dbraw/zinc/77/39/84/932773984.db2.gz WIFWQEOXTGPPSG-MHZLTWQESA-N 0 0 405.863 4.394 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000534950625 932854362 /nfs/dbraw/zinc/85/43/62/932854362.db2.gz NDQCYEUGOHKWPF-HUUCEWRRSA-N 0 0 408.520 4.195 20 5 HIBDRN COc1ccc(-c2nnc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)s2)cc1 ZINC000534969915 932868166 /nfs/dbraw/zinc/86/81/66/932868166.db2.gz FFBLKMOVNSLXKC-UHFFFAOYSA-N 0 0 402.457 4.096 20 5 HIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000534970486 932868176 /nfs/dbraw/zinc/86/81/76/932868176.db2.gz DMAVOHOSKCEGLB-UHFFFAOYSA-N 0 0 412.151 4.434 20 5 HIBDRN CC[C@@H](C)n1ncc(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c1C1CC1 ZINC000534980043 932874061 /nfs/dbraw/zinc/87/40/61/932874061.db2.gz OHLMJBHVDWPRSK-CYBMUJFWSA-N 0 0 408.462 4.348 20 5 HIBDRN C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000534982071 932874494 /nfs/dbraw/zinc/87/44/94/932874494.db2.gz VDQOXAAVGUHPPC-JTQLQIEISA-N 0 0 411.805 4.271 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)cc1Br ZINC000534984075 932875464 /nfs/dbraw/zinc/87/54/64/932875464.db2.gz YMKMGVNMDWLQMT-SNVBAGLBSA-N 0 0 418.247 4.338 20 5 HIBDRN CCN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000535039749 932890359 /nfs/dbraw/zinc/89/03/59/932890359.db2.gz LMYBJMXZWWZQLC-UHFFFAOYSA-N 0 0 414.174 4.005 20 5 HIBDRN Cc1cccc(OCc2nc(Cc3cccc(Br)c3)no2)c1[N+](=O)[O-] ZINC000535128073 932945092 /nfs/dbraw/zinc/94/50/92/932945092.db2.gz CRRZAFSFXZHZRP-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN Cc1nc2ccccc2n1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000535129391 932949129 /nfs/dbraw/zinc/94/91/29/932949129.db2.gz LMSIOLOFEXWYTJ-ZDUSSCGKSA-N 0 0 416.279 4.079 20 5 HIBDRN CC1(C)CCC[C@@H](C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000535167012 932984016 /nfs/dbraw/zinc/98/40/16/932984016.db2.gz LTABYOPHAVEKES-GFCCVEGCSA-N 0 0 423.516 4.039 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000535194492 933006829 /nfs/dbraw/zinc/00/68/29/933006829.db2.gz CYWVRYZXALDLJQ-OAHLLOKOSA-N 0 0 418.375 4.268 20 5 HIBDRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535290835 933053668 /nfs/dbraw/zinc/05/36/68/933053668.db2.gz VWPIKYBYLXUEKK-UHFFFAOYSA-N 0 0 424.888 4.308 20 5 HIBDRN Cc1ccc(O[C@H](C)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(Br)c1 ZINC000535306696 933062801 /nfs/dbraw/zinc/06/28/01/933062801.db2.gz CYAFYSQTIPMEQN-CYBMUJFWSA-N 0 0 419.275 4.018 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)c1 ZINC000535367685 933095565 /nfs/dbraw/zinc/09/55/65/933095565.db2.gz OZNXGBHERBFAOS-UHFFFAOYSA-N 0 0 407.470 4.305 20 5 HIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000535437160 933135334 /nfs/dbraw/zinc/13/53/34/933135334.db2.gz 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O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3csc(-c4ccco4)n3)co2)cc1 ZINC000535507345 933200642 /nfs/dbraw/zinc/20/06/42/933200642.db2.gz KYFVGCYWPJZXGS-MUUNZHRXSA-N 0 0 415.452 4.415 20 5 HIBDRN Cc1cc(C(=O)N2CCCC2)ccc1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535506991 933200806 /nfs/dbraw/zinc/20/08/06/933200806.db2.gz FTUBTBCEWFZLPA-UHFFFAOYSA-N 0 0 406.442 4.406 20 5 HIBDRN COc1ccccc1[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccn1 ZINC000535510870 933205326 /nfs/dbraw/zinc/20/53/26/933205326.db2.gz MCONMIKXMNRPNZ-JOCHJYFZSA-N 0 0 404.426 4.085 20 5 HIBDRN C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1nc(-c2ccccc2)no1 ZINC000535520599 933212215 /nfs/dbraw/zinc/21/22/15/933212215.db2.gz QBJKQSQMDWAWMX-HNNXBMFYSA-N 0 0 421.457 4.123 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)c([N+](=O)[O-])cc1OC ZINC000535529336 933221515 /nfs/dbraw/zinc/22/15/15/933221515.db2.gz OIHBJPBJBWDLLC-UHFFFAOYSA-N 0 0 412.446 4.049 20 5 HIBDRN O=C(CCc1nc2ccccc2n1-c1ccccc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000535558489 933242865 /nfs/dbraw/zinc/24/28/65/933242865.db2.gz AMYITVSUJPYXGD-UHFFFAOYSA-N 0 0 414.465 4.225 20 5 HIBDRN Cc1cc(C)c(NC(=O)CN(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 ZINC000535561284 933243559 /nfs/dbraw/zinc/24/35/59/933243559.db2.gz MBTXOPHCXIMWMG-UHFFFAOYSA-N 0 0 408.458 4.246 20 5 HIBDRN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000535569061 933246163 /nfs/dbraw/zinc/24/61/63/933246163.db2.gz HFJQVDVXNAXVGF-NRFANRHFSA-N 0 0 421.432 4.344 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)C1CC1 ZINC000535660834 933305129 /nfs/dbraw/zinc/30/51/29/933305129.db2.gz GCHGECCUULNNIH-UHFFFAOYSA-N 0 0 414.483 4.055 20 5 HIBDRN NC(=O)c1ccc(-c2nc(COc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cs2)cc1 ZINC000535661630 933306355 /nfs/dbraw/zinc/30/63/55/933306355.db2.gz KDKOCDZTGMQBFK-UHFFFAOYSA-N 0 0 423.372 4.415 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000535670063 933315317 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403.438 4.228 20 5 HIBDRN CN(C(=O)c1ccc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)cc1)c1ccccc1 ZINC000536073316 933619554 /nfs/dbraw/zinc/61/95/54/933619554.db2.gz ILBYAVCLSJAEEL-UHFFFAOYSA-N 0 0 415.449 4.464 20 5 HIBDRN Cc1nnc(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1[C@H]1CCC[C@@H](C)C1 ZINC000536091546 933640856 /nfs/dbraw/zinc/64/08/56/933640856.db2.gz ZMWOJESIAFWSOU-DOMZBBRYSA-N 0 0 403.508 4.285 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)c1 ZINC000537322808 933716500 /nfs/dbraw/zinc/71/65/00/933716500.db2.gz IDSXNXOSWJMQHM-QGZVFWFLSA-N 0 0 416.478 4.322 20 5 HIBDRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000537409856 933762672 /nfs/dbraw/zinc/76/26/72/933762672.db2.gz AYRBMHWVULEQOR-QGZVFWFLSA-N 0 0 414.893 4.201 20 5 HIBDRN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000562485315 945087129 /nfs/dbraw/zinc/08/71/29/945087129.db2.gz OXBVNFITOVPOAL-UHFFFAOYSA-N 0 0 421.791 4.249 20 5 HIBDRN 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ZINC000537673817 938351264 /nfs/dbraw/zinc/35/12/64/938351264.db2.gz RYKFFWNSTYTDOT-UHFFFAOYSA-N 0 0 405.495 4.045 20 5 HIBDRN CC(C)Oc1ccc(CC[C@@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000537687715 938354715 /nfs/dbraw/zinc/35/47/15/938354715.db2.gz QLRHQSHAPOCSGF-CYBMUJFWSA-N 0 0 412.533 4.280 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCO[C@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537690802 938355642 /nfs/dbraw/zinc/35/56/42/938355642.db2.gz KNLUXMJZMIJGKY-DOMZBBRYSA-N 0 0 420.849 4.346 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCO[C@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537690803 938355798 /nfs/dbraw/zinc/35/57/98/938355798.db2.gz KNLUXMJZMIJGKY-IUODEOHRSA-N 0 0 420.849 4.346 20 5 HIBDRN COc1cc(C(=O)N2CC=C(c3cccc(C)c3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000537776486 938374547 /nfs/dbraw/zinc/37/45/47/938374547.db2.gz JNIWPSKCGPJORD-UHFFFAOYSA-N 0 0 418.396 4.443 20 5 HIBDRN Cn1cc(C(=O)NCc2cc(Cl)sc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537801126 938379328 /nfs/dbraw/zinc/37/93/28/938379328.db2.gz IHIUGMFXLWSENP-UHFFFAOYSA-N 0 0 411.270 4.294 20 5 HIBDRN CCN(CC1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000537828072 938385325 /nfs/dbraw/zinc/38/53/25/938385325.db2.gz SEPHFPXGZXLAQT-UHFFFAOYSA-N 0 0 406.433 4.334 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000537831325 938385594 /nfs/dbraw/zinc/38/55/94/938385594.db2.gz PKWQYLSZAVYUPL-QFYYESIMSA-N 0 0 400.328 4.259 20 5 HIBDRN CCc1[nH]nc(C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000563294377 945171456 /nfs/dbraw/zinc/17/14/56/945171456.db2.gz ZBYDLNACKPSZGU-FZMZJTMJSA-N 0 0 419.279 4.329 20 5 HIBDRN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000537903263 938406390 /nfs/dbraw/zinc/40/63/90/938406390.db2.gz JPDPNXIZCCVINB-HNAYVOBHSA-N 0 0 413.474 4.228 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000538023769 938468254 /nfs/dbraw/zinc/46/82/54/938468254.db2.gz LYGHJFBLDWCEJF-LJQANCHMSA-N 0 0 423.473 4.045 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538051045 938483865 /nfs/dbraw/zinc/48/38/65/938483865.db2.gz ASLJBTHRNMOWCF-UYAOXDASSA-N 0 0 417.824 4.058 20 5 HIBDRN Cc1ccc2[nH]c([C@@H]3CCCN([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)nc2c1 ZINC000538148513 938521184 /nfs/dbraw/zinc/52/11/84/938521184.db2.gz WABREDSZYHXTDB-DLBZAZTESA-N 0 0 421.501 4.295 20 5 HIBDRN Cc1nc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)CC2)sc1C ZINC000538227141 938565849 /nfs/dbraw/zinc/56/58/49/938565849.db2.gz ZWCWWXFVGQDYGR-UHFFFAOYSA-N 0 0 420.560 4.131 20 5 HIBDRN C[C@@H](NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000538248199 938573817 /nfs/dbraw/zinc/57/38/17/938573817.db2.gz AEYVFHHJEQZBAN-LLVKDONJSA-N 0 0 417.878 4.019 20 5 HIBDRN COc1cccc([C@H]2C[C@H]2C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 ZINC000538255954 938575426 /nfs/dbraw/zinc/57/54/26/938575426.db2.gz XLUZHNSEETZLOS-IAGOWNOFSA-N 0 0 409.467 4.493 20 5 HIBDRN CC[C@H]1Oc2cc([C@H](C)NCc3cc([N+](=O)[O-])ccc3OC(C)C)ccc2NC1=O ZINC000538259023 938576528 /nfs/dbraw/zinc/57/65/28/938576528.db2.gz UPFXSGJTZCDMSJ-IFXJQAMLSA-N 0 0 413.474 4.342 20 5 HIBDRN Cc1c([C@@H](C)NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1-c1ccc(F)cc1 ZINC000538262730 938577770 /nfs/dbraw/zinc/57/77/70/938577770.db2.gz HPUBNARALBCZPG-CYBMUJFWSA-N 0 0 422.420 4.129 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000538271587 938580396 /nfs/dbraw/zinc/58/03/96/938580396.db2.gz RTPHPRBHVRVNPA-ZDUSSCGKSA-N 0 0 420.922 4.152 20 5 HIBDRN Cc1ccc([C@H](C)NCc2nnc(-c3ccc(Br)o3)o2)cc1[N+](=O)[O-] ZINC000538276083 938581152 /nfs/dbraw/zinc/58/11/52/938581152.db2.gz DOEVGGUBVFAQQV-JTQLQIEISA-N 0 0 407.224 4.160 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000538311709 938590038 /nfs/dbraw/zinc/59/00/38/938590038.db2.gz LNBWYWNUJXBBBT-UHFFFAOYSA-N 0 0 418.877 4.125 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2nc(-c3ccccc3F)cs2)c1 ZINC000538395177 938610011 /nfs/dbraw/zinc/61/00/11/938610011.db2.gz FRINLUGSXLVBBU-UHFFFAOYSA-N 0 0 415.446 4.251 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c1 ZINC000538412485 938614604 /nfs/dbraw/zinc/61/46/04/938614604.db2.gz FGGMRIOCQDUIEL-JKSUJKDBSA-N 0 0 419.275 4.107 20 5 HIBDRN CN(C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000538441134 938621901 /nfs/dbraw/zinc/62/19/01/938621901.db2.gz QWRVELRFUCCKIF-UHFFFAOYSA-N 0 0 410.257 4.015 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nnc(-c3cc(F)ccc3C)s2)c1 ZINC000538487743 938633212 /nfs/dbraw/zinc/63/32/12/938633212.db2.gz XJZMZJMZSFNJMV-UHFFFAOYSA-N 0 0 416.434 4.277 20 5 HIBDRN Cc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)nn1[C@H](C)C1CC1 ZINC000538536891 938643987 /nfs/dbraw/zinc/64/39/87/938643987.db2.gz FCZAAHCRHKELRB-CYBMUJFWSA-N 0 0 410.396 4.275 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000538566454 938651187 /nfs/dbraw/zinc/65/11/87/938651187.db2.gz UOEFOKHWDTVART-OAHLLOKOSA-N 0 0 413.499 4.343 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2=O)cn1 ZINC000538587983 938656140 /nfs/dbraw/zinc/65/61/40/938656140.db2.gz SRYIPHBZMAMKJC-UHFFFAOYSA-N 0 0 414.487 4.261 20 5 HIBDRN CCC[C@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000538625742 938665578 /nfs/dbraw/zinc/66/55/78/938665578.db2.gz HXNZHHABEZNWID-SFHVURJKSA-N 0 0 414.487 4.137 20 5 HIBDRN CCOc1ccc([C@H](C)Nc2cc(C(=O)N3CCCC3)ccc2OC)cc1[N+](=O)[O-] ZINC000538634525 938668710 /nfs/dbraw/zinc/66/87/10/938668710.db2.gz QUMPIXBTJHUHNH-HNNXBMFYSA-N 0 0 413.474 4.411 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000538659943 938676184 /nfs/dbraw/zinc/67/61/84/938676184.db2.gz OAZOSXMDWKHNGW-LLVKDONJSA-N 0 0 412.412 4.125 20 5 HIBDRN O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)NCCc1cccc(Cl)c1Cl ZINC000538659477 938676209 /nfs/dbraw/zinc/67/62/09/938676209.db2.gz HYSUZWMJJDEULN-UHFFFAOYSA-N 0 0 419.268 4.124 20 5 HIBDRN CC(C)c1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(O)c(C(C)C)c1 ZINC000538760200 938703778 /nfs/dbraw/zinc/70/37/78/938703778.db2.gz XQXPQYRRZXFFFJ-MRXNPFEDSA-N 0 0 412.490 4.269 20 5 HIBDRN CCOc1cc(CNc2ccccc2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000538824441 938720720 /nfs/dbraw/zinc/72/07/20/938720720.db2.gz IROQDVNMGNSVHK-UHFFFAOYSA-N 0 0 410.474 4.498 20 5 HIBDRN NC(=O)CCOc1ccccc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000538832103 938722159 /nfs/dbraw/zinc/72/21/59/938722159.db2.gz RXLGPQSKKDCNJJ-UHFFFAOYSA-N 0 0 415.833 4.375 20 5 HIBDRN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000538858061 938726210 /nfs/dbraw/zinc/72/62/10/938726210.db2.gz JNROVJOBUYGYQF-OAQYLSRUSA-N 0 0 405.410 4.383 20 5 HIBDRN COc1cc([C@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)ccc1[N+](=O)[O-] ZINC000538858361 938726459 /nfs/dbraw/zinc/72/64/59/938726459.db2.gz MWLOBMIWIAXYMN-IBGZPJMESA-N 0 0 410.817 4.423 20 5 HIBDRN COCCn1ccc2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc21 ZINC000538865070 938727957 /nfs/dbraw/zinc/72/79/57/938727957.db2.gz KROUYVKWBIAHIH-UHFFFAOYSA-N 0 0 418.247 4.211 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CC23CCCCC3)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000538893436 938731864 /nfs/dbraw/zinc/73/18/64/938731864.db2.gz LDWPXCYQPXHZDV-GOSISDBHSA-N 0 0 417.487 4.092 20 5 HIBDRN NC(=O)c1cc(Oc2cccc(Oc3ccc([N+](=O)[O-])c(OC(F)F)c3)c2)ccn1 ZINC000538929332 938739407 /nfs/dbraw/zinc/73/94/07/938739407.db2.gz ZEFWPQOEXNGOFP-UHFFFAOYSA-N 0 0 417.324 4.275 20 5 HIBDRN COc1ccc(C(=O)Nc2cccc(OCCNc3ncc([N+](=O)[O-])cc3C)c2)cc1 ZINC000538932346 938740708 /nfs/dbraw/zinc/74/07/08/938740708.db2.gz ROKARNOYOYBBFY-UHFFFAOYSA-N 0 0 422.441 4.050 20 5 HIBDRN CN(c1ccccc1)c1ccc(CNc2cncc(-c3nncn3C)c2)cc1[N+](=O)[O-] ZINC000538969271 938754774 /nfs/dbraw/zinc/75/47/74/938754774.db2.gz SFFNKKJGDHPFCU-UHFFFAOYSA-N 0 0 415.457 4.165 20 5 HIBDRN CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000563484148 945200939 /nfs/dbraw/zinc/20/09/39/945200939.db2.gz ZGHKJBDEWRLWJQ-SFHVURJKSA-N 0 0 419.275 4.350 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000539085076 938799532 /nfs/dbraw/zinc/79/95/32/938799532.db2.gz VYHAFPPPANEDFD-UHFFFAOYSA-N 0 0 416.437 4.145 20 5 HIBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000539171099 938815284 /nfs/dbraw/zinc/81/52/84/938815284.db2.gz UQBVOEWDTRUPHR-MGPLVRAMSA-N 0 0 411.227 4.002 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000539209004 938819427 /nfs/dbraw/zinc/81/94/27/938819427.db2.gz YMCJMFJJFIDTCN-AEFFLSMTSA-N 0 0 407.829 4.059 20 5 HIBDRN C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 ZINC000539247680 938825155 /nfs/dbraw/zinc/82/51/55/938825155.db2.gz KLOFHXYSRQXJMM-LLVKDONJSA-N 0 0 403.236 4.258 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000539294264 938835261 /nfs/dbraw/zinc/83/52/61/938835261.db2.gz ZHJYUKFCJYDLOK-QUCCMNQESA-N 0 0 415.877 4.452 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(F)cc1F ZINC000539298567 938836117 /nfs/dbraw/zinc/83/61/17/938836117.db2.gz TWKHOJIVLNIGHG-UHFFFAOYSA-N 0 0 410.398 4.412 20 5 HIBDRN COC(=O)c1cccc2[nH]c(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)nc21 ZINC000539328705 938842560 /nfs/dbraw/zinc/84/25/60/938842560.db2.gz YYYWMGSQTOXBNL-UHFFFAOYSA-N 0 0 414.443 4.011 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000539333353 938843122 /nfs/dbraw/zinc/84/31/22/938843122.db2.gz ZLHIGSMXOWKHLG-UHFFFAOYSA-N 0 0 410.257 4.128 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1csc(N2CCCC2)n1 ZINC000539354094 938847090 /nfs/dbraw/zinc/84/70/90/938847090.db2.gz LLBWBFGEONADPS-UHFFFAOYSA-N 0 0 420.560 4.125 20 5 HIBDRN CN(C(=O)c1coc(Br)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539354721 938847320 /nfs/dbraw/zinc/84/73/20/938847320.db2.gz YWHUFPVMUCLLRJ-UHFFFAOYSA-N 0 0 408.233 4.350 20 5 HIBDRN Cc1ccc([C@@H](C)NCc2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] ZINC000539379328 938851910 /nfs/dbraw/zinc/85/19/10/938851910.db2.gz NIAUTLITQPRWCP-GFCCVEGCSA-N 0 0 407.264 4.288 20 5 HIBDRN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000539407133 938856091 /nfs/dbraw/zinc/85/60/91/938856091.db2.gz ISJCOJSUJUUJNO-QGZVFWFLSA-N 0 0 401.850 4.230 20 5 HIBDRN Cc1c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cccc1N(C)C ZINC000539450927 938862561 /nfs/dbraw/zinc/86/25/61/938862561.db2.gz BQXPYEYXJZHCAR-UHFFFAOYSA-N 0 0 410.396 4.429 20 5 HIBDRN COc1cccc(OC)c1Oc1ccc(CNCc2csc([N+](=O)[O-])c2)cn1 ZINC000539456566 938863181 /nfs/dbraw/zinc/86/31/81/938863181.db2.gz RNKFTJMBZPHBQS-UHFFFAOYSA-N 0 0 401.444 4.151 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(Cc1ccc(O)cc1)CC1CC1 ZINC000539464908 938864457 /nfs/dbraw/zinc/86/44/57/938864457.db2.gz ZRPAWFIOONGRKP-UHFFFAOYSA-N 0 0 403.438 4.415 20 5 HIBDRN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000539467461 938864678 /nfs/dbraw/zinc/86/46/78/938864678.db2.gz YLDDBLGRXMAOCF-AVRDEDQJSA-N 0 0 403.438 4.164 20 5 HIBDRN CC(C)(C)[C@@H](COc1ccccc1F)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000539492003 938867843 /nfs/dbraw/zinc/86/78/43/938867843.db2.gz WVFJMOCXDFWZLE-GOSISDBHSA-N 0 0 414.437 4.367 20 5 HIBDRN CC[C@@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000539528250 938873684 /nfs/dbraw/zinc/87/36/84/938873684.db2.gz QOKLDCPXZOPEHE-LLVKDONJSA-N 0 0 417.409 4.415 20 5 HIBDRN Cc1cc(NC2CCN(C(=O)CCc3ccccc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000539547617 938878031 /nfs/dbraw/zinc/87/80/31/938878031.db2.gz HJFOBQDYGNQWNK-UHFFFAOYSA-N 0 0 418.497 4.487 20 5 HIBDRN CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000539552760 938879242 /nfs/dbraw/zinc/87/92/42/938879242.db2.gz SKFIRNPSQKNMQQ-UHFFFAOYSA-N 0 0 412.748 4.231 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2ccc(CNc3nnc(CCOc4ccccc4)o3)o2)c1 ZINC000539693561 938903829 /nfs/dbraw/zinc/90/38/29/938903829.db2.gz QPSYNTHHBAXIDX-UHFFFAOYSA-N 0 0 406.398 4.471 20 5 HIBDRN CCC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000539728185 938914581 /nfs/dbraw/zinc/91/45/81/938914581.db2.gz QJMVINXMEHYQLM-CVEARBPZSA-N 0 0 405.520 4.376 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539752780 938921386 /nfs/dbraw/zinc/92/13/86/938921386.db2.gz RATHSGJADKKKDA-HNNXBMFYSA-N 0 0 422.489 4.262 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1Br ZINC000539793853 938936223 /nfs/dbraw/zinc/93/62/23/938936223.db2.gz SXDABNVDSOVDJM-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000539817908 938942072 /nfs/dbraw/zinc/94/20/72/938942072.db2.gz VQYUNMXQCKRQJX-UHFFFAOYSA-N 0 0 416.524 4.359 20 5 HIBDRN COc1cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)ccc1OCc1ccncc1 ZINC000539827288 938948136 /nfs/dbraw/zinc/94/81/36/938948136.db2.gz NTLOXBHGUXAGDH-UHFFFAOYSA-N 0 0 405.454 4.136 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000539865095 938961067 /nfs/dbraw/zinc/96/10/67/938961067.db2.gz HSAHDSDILAZHCY-OAHLLOKOSA-N 0 0 424.419 4.120 20 5 HIBDRN COc1ccccc1COC1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000539876521 938963713 /nfs/dbraw/zinc/96/37/13/938963713.db2.gz JOGRKTYRMCZJMS-INIZCTEOSA-N 0 0 413.474 4.055 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(-c2ccncc2Oc2ccccc2)n1 ZINC000563568430 945219013 /nfs/dbraw/zinc/21/90/13/945219013.db2.gz QHRSFHIGAUYXNE-UHFFFAOYSA-N 0 0 403.398 4.487 20 5 HIBDRN CN(C)[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000539936009 938979215 /nfs/dbraw/zinc/97/92/15/938979215.db2.gz RTQBHXIQXCCIQQ-LJQANCHMSA-N 0 0 424.888 4.343 20 5 HIBDRN CC(=O)c1cccc(OCc2cc(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)no2)c1 ZINC000539959258 938981460 /nfs/dbraw/zinc/98/14/60/938981460.db2.gz WCEOMXSDVPQSIP-AWEZNQCLSA-N 0 0 423.425 4.164 20 5 HIBDRN CCn1c2ccc(Cl)cc2nc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000540005525 939036688 /nfs/dbraw/zinc/03/66/88/939036688.db2.gz ALOZYZJIFHXREM-UHFFFAOYSA-N 0 0 413.865 4.470 20 5 HIBDRN CSc1cc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)ccn1 ZINC000540122637 939080932 /nfs/dbraw/zinc/08/09/32/939080932.db2.gz CDGAJAKENSWCRB-UHFFFAOYSA-N 0 0 408.483 4.254 20 5 HIBDRN Cc1nn(CCC(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000540133834 939085654 /nfs/dbraw/zinc/08/56/54/939085654.db2.gz FPNLIABOOMTROC-NSHDSACASA-N 0 0 411.289 4.251 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N(c1ccccc1)c1ncccc1Br ZINC000540272843 939179009 /nfs/dbraw/zinc/17/90/09/939179009.db2.gz NZAIRAGOKUPCAJ-UHFFFAOYSA-N 0 0 413.231 4.434 20 5 HIBDRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000540321127 939193218 /nfs/dbraw/zinc/19/32/18/939193218.db2.gz UVHJQCRVHSBAAF-VIFPVBQESA-N 0 0 408.785 4.307 20 5 HIBDRN Cc1onc(-c2ccccc2)c1-c1nnc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000540381596 939220326 /nfs/dbraw/zinc/22/03/26/939220326.db2.gz 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LDPHIDWAHNTVHQ-CYBMUJFWSA-N 0 0 420.263 4.173 20 5 HIBDRN COc1cc(CN(C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1OC(F)F ZINC000541584585 939560725 /nfs/dbraw/zinc/56/07/25/939560725.db2.gz JPJKGDYVKZXVEU-LLVKDONJSA-N 0 0 412.364 4.106 20 5 HIBDRN CCn1c(Sc2ncc([N+](=O)[O-])c(C)c2Br)nnc1-c1ccco1 ZINC000541591725 939562153 /nfs/dbraw/zinc/56/21/53/939562153.db2.gz VMSVYVXCAVRGKR-UHFFFAOYSA-N 0 0 410.253 4.083 20 5 HIBDRN COc1ccccc1COC1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000541595074 939562583 /nfs/dbraw/zinc/56/25/83/939562583.db2.gz OOTFVDCMAZHURM-OAHLLOKOSA-N 0 0 416.449 4.054 20 5 HIBDRN CC(C)OCCOCc1cccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000541602768 939566282 /nfs/dbraw/zinc/56/62/82/939566282.db2.gz WAWVUOCVJLWFGV-HNNXBMFYSA-N 0 0 404.438 4.418 20 5 HIBDRN COc1ccc(-c2nsc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC000541603807 939566753 /nfs/dbraw/zinc/56/67/53/939566753.db2.gz AMJGNTGZXNCBSC-SNVBAGLBSA-N 0 0 402.407 4.003 20 5 HIBDRN 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ZINC000541760298 939623057 /nfs/dbraw/zinc/62/30/57/939623057.db2.gz GIILWVJGEHGXBR-QGZVFWFLSA-N 0 0 409.895 4.195 20 5 HIBDRN Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000541761568 939623560 /nfs/dbraw/zinc/62/35/60/939623560.db2.gz GZNJZYTTWSIAGQ-QFIPXVFZSA-N 0 0 424.476 4.418 20 5 HIBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(CN3CCOCC3)c2)no1 ZINC000541777335 939627951 /nfs/dbraw/zinc/62/79/51/939627951.db2.gz ARKTWQDWYPGCBP-SSZFMOIBSA-N 0 0 406.442 4.038 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000541780274 939628561 /nfs/dbraw/zinc/62/85/61/939628561.db2.gz GAQWNNPAHDHBDM-UHFFFAOYSA-N 0 0 406.845 4.127 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541832766 939644664 /nfs/dbraw/zinc/64/46/64/939644664.db2.gz RPPRMNZDZAHCBP-UHFFFAOYSA-N 0 0 400.341 4.382 20 5 HIBDRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]2C ZINC000541933175 939657118 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IQZSFDLRSBIOMZ-ZDUSSCGKSA-N 0 0 403.435 4.282 20 5 HIBDRN COc1ccc(NC(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000542029334 939692470 /nfs/dbraw/zinc/69/24/70/939692470.db2.gz JJCWUQVDJAANDL-CQSZACIVSA-N 0 0 405.838 4.332 20 5 HIBDRN COc1ccc(NC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1[N+](=O)[O-] ZINC000542030816 939692907 /nfs/dbraw/zinc/69/29/07/939692907.db2.gz SCZOFHJLFIZLNR-CYBMUJFWSA-N 0 0 416.503 4.350 20 5 HIBDRN COc1ccc(NC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1[N+](=O)[O-] ZINC000542031895 939693469 /nfs/dbraw/zinc/69/34/69/939693469.db2.gz IECFNWHLWUZETJ-UHFFFAOYSA-N 0 0 412.377 4.252 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542033324 939693671 /nfs/dbraw/zinc/69/36/71/939693671.db2.gz VCINMVBXNIUVDF-KRWDZBQOSA-N 0 0 409.446 4.342 20 5 HIBDRN C[C@@H](NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000542053739 939700034 /nfs/dbraw/zinc/70/00/34/939700034.db2.gz QTLGMOLIJHDDSF-ACJLOTCBSA-N 0 0 423.391 4.458 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000542063925 939701867 /nfs/dbraw/zinc/70/18/67/939701867.db2.gz LEQZPSLKYUNDCG-MRXNPFEDSA-N 0 0 414.767 4.481 20 5 HIBDRN CC(C)(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542092982 939708439 /nfs/dbraw/zinc/70/84/39/939708439.db2.gz GZDBWAIYWSOSAT-FUHWJXTLSA-N 0 0 420.872 4.126 20 5 HIBDRN CNC(=O)c1ccc(N2CCC(c3cccc(Br)c3)CC2)c([N+](=O)[O-])c1 ZINC000542137330 939727074 /nfs/dbraw/zinc/72/70/74/939727074.db2.gz GZSWUTNQGVRQOK-UHFFFAOYSA-N 0 0 418.291 4.101 20 5 HIBDRN Cc1ccc(C2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)cn1 ZINC000542160212 939737697 /nfs/dbraw/zinc/73/76/97/939737697.db2.gz NBFPLJPJVVOIPG-AWEZNQCLSA-N 0 0 403.866 4.125 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000542193915 939752136 /nfs/dbraw/zinc/75/21/36/939752136.db2.gz GTUXRZVXUZPRHS-UHFFFAOYSA-N 0 0 413.377 4.303 20 5 HIBDRN CC(C)(C)Oc1cccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000542200097 939754142 /nfs/dbraw/zinc/75/41/42/939754142.db2.gz FCXHMIWLEFGQMX-UHFFFAOYSA-N 0 0 409.895 4.229 20 5 HIBDRN COc1cc(CNC(=O)CSc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000542225043 939764222 /nfs/dbraw/zinc/76/42/22/939764222.db2.gz WVMFLYQRQRKKER-UHFFFAOYSA-N 0 0 416.499 4.333 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000542247273 939772189 /nfs/dbraw/zinc/77/21/89/939772189.db2.gz KEYAXIQHOODOOB-NRFANRHFSA-N 0 0 420.469 4.090 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000542313851 939797009 /nfs/dbraw/zinc/79/70/09/939797009.db2.gz GKFNOYWRAPWTEY-GOSISDBHSA-N 0 0 405.241 4.004 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000542380825 939811236 /nfs/dbraw/zinc/81/12/36/939811236.db2.gz YSKRHZYPHOECMF-AWEZNQCLSA-N 0 0 405.279 4.307 20 5 HIBDRN CCCc1c(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(F)c1 ZINC000542431955 939821283 /nfs/dbraw/zinc/82/12/83/939821283.db2.gz DFTCJYVRRZIJHE-UHFFFAOYSA-N 0 0 411.437 4.236 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nccc2sccc21 ZINC000542462088 939826992 /nfs/dbraw/zinc/82/69/92/939826992.db2.gz FPBWUBBNFQBSMB-UHFFFAOYSA-N 0 0 417.468 4.112 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ncnc3cccc([N+](=O)[O-])c31)O[C@H](C)C2 ZINC000542508152 939834590 /nfs/dbraw/zinc/83/45/90/939834590.db2.gz XDLYTUUKDKNLKM-HACGYAERSA-N 0 0 406.442 4.228 20 5 HIBDRN Cc1c(Br)c(N2CC[C@H](COCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000542508508 939834672 /nfs/dbraw/zinc/83/46/72/939834672.db2.gz VHMSQJUYGPJLTL-HNNXBMFYSA-N 0 0 406.280 4.104 20 5 HIBDRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000542541357 939840650 /nfs/dbraw/zinc/84/06/50/939840650.db2.gz NTUWVZVDZBHUPX-DNVCBOLYSA-N 0 0 416.449 4.054 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542560604 939843832 /nfs/dbraw/zinc/84/38/32/939843832.db2.gz SDSQLLPLBNCRLV-APWZRJJASA-N 0 0 422.840 4.193 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000542589817 939846948 /nfs/dbraw/zinc/84/69/48/939846948.db2.gz HROGNRZLNXGFQV-BEFAXECRSA-N 0 0 404.463 4.448 20 5 HIBDRN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000542611626 939848250 /nfs/dbraw/zinc/84/82/50/939848250.db2.gz HDQLKVIQDPXADA-NSHDSACASA-N 0 0 403.236 4.258 20 5 HIBDRN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(C2CCCCC2)no1 ZINC000542623527 939849814 /nfs/dbraw/zinc/84/98/14/939849814.db2.gz UXUXWMDLKILQPJ-NWDGAFQWSA-N 0 0 421.885 4.357 20 5 HIBDRN CCOc1cc(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC ZINC000542642216 939851109 /nfs/dbraw/zinc/85/11/09/939851109.db2.gz JGMRRJYEIPMGTO-WMLDXEAASA-N 0 0 414.462 4.402 20 5 HIBDRN O=C(N[C@@H](CO)c1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542656252 939851915 /nfs/dbraw/zinc/85/19/15/939851915.db2.gz POLUMZUUGBHGLL-IBGZPJMESA-N 0 0 400.500 4.341 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000542714728 939856208 /nfs/dbraw/zinc/85/62/08/939856208.db2.gz SYGRQCFFTGEWDL-UHFFFAOYSA-N 0 0 402.209 4.067 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000542874194 939864675 /nfs/dbraw/zinc/86/46/75/939864675.db2.gz DFXSENMDYGGWQG-APWZRJJASA-N 0 0 420.412 4.402 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000542881598 939864909 /nfs/dbraw/zinc/86/49/09/939864909.db2.gz JXKYHGPVTKXMGM-UHFFFAOYSA-N 0 0 418.352 4.337 20 5 HIBDRN COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542883731 939865128 /nfs/dbraw/zinc/86/51/28/939865128.db2.gz OKJGPVLOOBEKPF-HNNXBMFYSA-N 0 0 406.385 4.052 20 5 HIBDRN COc1c(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cccc1C(N)=O ZINC000542922581 939878105 /nfs/dbraw/zinc/87/81/05/939878105.db2.gz DAFVQVGKJKELRG-UHFFFAOYSA-N 0 0 406.442 4.082 20 5 HIBDRN COc1cc(Br)ccc1CCC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000542927806 939879543 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409.820 4.025 20 5 HIBDRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000543462905 940071350 /nfs/dbraw/zinc/07/13/50/940071350.db2.gz LQBWDTBTCHFBGI-SECBINFHSA-N 0 0 422.434 4.225 20 5 HIBDRN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000543478032 940077666 /nfs/dbraw/zinc/07/76/66/940077666.db2.gz JQIKNCFEQGKNRC-INIZCTEOSA-N 0 0 402.454 4.361 20 5 HIBDRN CC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000543497062 940085051 /nfs/dbraw/zinc/08/50/51/940085051.db2.gz SLYCGRXXGUFBIU-BXKDBHETSA-N 0 0 402.398 4.138 20 5 HIBDRN COC(=O)c1sc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)nc1C1CCCC1 ZINC000543507094 940088920 /nfs/dbraw/zinc/08/89/20/940088920.db2.gz PLLZLBQICXFGTE-JTQLQIEISA-N 0 0 421.450 4.377 20 5 HIBDRN C[C@@H](C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543528709 940096267 /nfs/dbraw/zinc/09/62/67/940096267.db2.gz NCLKZKBYCWLRTH-HIFRSBDPSA-N 0 0 402.397 4.098 20 5 HIBDRN 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CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543644721 940147742 /nfs/dbraw/zinc/14/77/42/940147742.db2.gz PGNAKOOLCYMOQJ-UHFFFAOYSA-N 0 0 415.400 4.360 20 5 HIBDRN CCn1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(=O)c2cc(Cl)ccc21 ZINC000543654828 940151725 /nfs/dbraw/zinc/15/17/25/940151725.db2.gz SZAHMAOLSHHVGT-ZDUSSCGKSA-N 0 0 413.861 4.382 20 5 HIBDRN O=C(Nc1ccc(NCCc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000543656536 940152340 /nfs/dbraw/zinc/15/23/40/940152340.db2.gz FMAREVGYWXVVLZ-GOSISDBHSA-N 0 0 423.391 4.386 20 5 HIBDRN CN(c1ccccc1)c1ccc(CNc2cc(-c3nncn3C)ccn2)cc1[N+](=O)[O-] ZINC000543683638 940159498 /nfs/dbraw/zinc/15/94/98/940159498.db2.gz UVLHVWGTYRYJLB-UHFFFAOYSA-N 0 0 415.457 4.165 20 5 HIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000543783823 940185774 /nfs/dbraw/zinc/18/57/74/940185774.db2.gz PCJFMOCHTKMFNF-GFCCVEGCSA-N 0 0 416.384 4.181 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)n1 ZINC000543790623 940187539 /nfs/dbraw/zinc/18/75/39/940187539.db2.gz VEKRJHIZQNTJCK-ZDUSSCGKSA-N 0 0 416.482 4.100 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000543789788 940187824 /nfs/dbraw/zinc/18/78/24/940187824.db2.gz DLWXIRLLGLKHGR-FQEVSTJZSA-N 0 0 421.501 4.046 20 5 HIBDRN C[C@](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)(c1ccc(F)cc1)C(F)(F)F ZINC000543797275 940189999 /nfs/dbraw/zinc/18/99/99/940189999.db2.gz HTPAIKGXBIWXSA-SFHVURJKSA-N 0 0 409.339 4.352 20 5 HIBDRN O=C(CCN1CCO[C@@H](c2ccccc2C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000543806770 940191819 /nfs/dbraw/zinc/19/18/19/940191819.db2.gz AWNMQFVMRCDCRI-GOSISDBHSA-N 0 0 423.391 4.016 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCO[C@@H](c4ccccc4C(F)(F)F)C3)nc2c1 ZINC000543806911 940192726 /nfs/dbraw/zinc/19/27/26/940192726.db2.gz FCDGCJZVPLDAKA-QGZVFWFLSA-N 0 0 407.348 4.328 20 5 HIBDRN COc1cc(Br)cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000543818835 940197212 /nfs/dbraw/zinc/19/72/12/940197212.db2.gz KYSBYZQBIYQEMP-UHFFFAOYSA-N 0 0 417.162 4.220 20 5 HIBDRN CC1(C)CN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000563791612 945303266 /nfs/dbraw/zinc/30/32/66/945303266.db2.gz YWVPLLPIKOFWOU-BBRMVZONSA-N 0 0 418.437 4.122 20 5 HIBDRN CCCNC(=O)CSc1nnc(SCc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000543864439 940215679 /nfs/dbraw/zinc/21/56/79/940215679.db2.gz QTNSYWSXBBBZPM-UHFFFAOYSA-N 0 0 418.953 4.010 20 5 HIBDRN COc1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1[N+](=O)[O-] ZINC000543893592 940230538 /nfs/dbraw/zinc/23/05/38/940230538.db2.gz BCCYHBIXCDUTGU-UHFFFAOYSA-N 0 0 412.446 4.054 20 5 HIBDRN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000563824022 945305704 /nfs/dbraw/zinc/30/57/04/945305704.db2.gz OVTSYAFSLGWKMX-IHWFROFDSA-N 0 0 416.481 4.474 20 5 HIBDRN COc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000543930913 940250717 /nfs/dbraw/zinc/25/07/17/940250717.db2.gz PPNCVUYHSNQTTH-MRXNPFEDSA-N 0 0 419.865 4.099 20 5 HIBDRN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000543947888 940260681 /nfs/dbraw/zinc/26/06/81/940260681.db2.gz ROLVQOUGFOGXND-VIFPVBQESA-N 0 0 408.423 4.276 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc3nc(N4CCCC4)sc3c2)s1 ZINC000543959344 940271152 /nfs/dbraw/zinc/27/11/52/940271152.db2.gz QJOXOTDSPOATSA-UHFFFAOYSA-N 0 0 424.529 4.013 20 5 HIBDRN CCCc1c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cnn1-c1ccccc1 ZINC000544032132 940305464 /nfs/dbraw/zinc/30/54/64/940305464.db2.gz AJPAJNUOWOFCMK-UHFFFAOYSA-N 0 0 403.442 4.326 20 5 HIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000544033668 940305532 /nfs/dbraw/zinc/30/55/32/940305532.db2.gz IWAZITVCOKAASP-ZDUSSCGKSA-N 0 0 420.338 4.249 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc(-c2ccccn2)cs1 ZINC000544057153 940312964 /nfs/dbraw/zinc/31/29/64/940312964.db2.gz HDEQJMQOIHAAPD-UHFFFAOYSA-N 0 0 406.876 4.498 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000544237076 940364109 /nfs/dbraw/zinc/36/41/09/940364109.db2.gz UEPMDSTVMXRJPM-KRWDZBQOSA-N 0 0 406.891 4.249 20 5 HIBDRN CCOc1cc(Cc2noc(Cc3cccc([N+](=O)[O-])c3)n2)ccc1OC(F)F ZINC000544290326 940381265 /nfs/dbraw/zinc/38/12/65/940381265.db2.gz FNQRJSOILSBCEP-UHFFFAOYSA-N 0 0 405.357 4.160 20 5 HIBDRN O=[N+]([O-])c1cccc(/C=C\c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)c1 ZINC000544341779 940394894 /nfs/dbraw/zinc/39/48/94/940394894.db2.gz XGSCUAALSYERFX-YFHOEESVSA-N 0 0 401.382 4.321 20 5 HIBDRN CCc1nc(Cc2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cs1 ZINC000544378046 940406538 /nfs/dbraw/zinc/40/65/38/940406538.db2.gz VHCNGKJWVGSUNY-UHFFFAOYSA-N 0 0 402.479 4.196 20 5 HIBDRN Cc1c(Br)c(Sc2nnc(-c3cccs3)n2C)ncc1[N+](=O)[O-] ZINC000544394144 940410799 /nfs/dbraw/zinc/41/07/99/940410799.db2.gz LVJJVGAHWFJFIF-UHFFFAOYSA-N 0 0 412.294 4.069 20 5 HIBDRN Cc1c(Br)c(N2CCO[C@H](c3ccccc3Cl)C2)ncc1[N+](=O)[O-] ZINC000544398219 940411972 /nfs/dbraw/zinc/41/19/72/940411972.db2.gz YRPJDQIRCDOAAO-AWEZNQCLSA-N 0 0 412.671 4.292 20 5 HIBDRN CC(C)[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCCO2 ZINC000544405516 940414665 /nfs/dbraw/zinc/41/46/65/940414665.db2.gz PBMBVCDQTHAEBK-RNODOKPDSA-N 0 0 402.422 4.122 20 5 HIBDRN Cc1c(Br)c(N(C)Cc2ccc(Br)o2)ncc1[N+](=O)[O-] ZINC000544408620 940415510 /nfs/dbraw/zinc/41/55/10/940415510.db2.gz PEVONGROXCTQEG-UHFFFAOYSA-N 0 0 405.046 4.053 20 5 HIBDRN COC(=O)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000544418697 940418786 /nfs/dbraw/zinc/41/87/86/940418786.db2.gz QZDKJRRBWLESLT-HNNXBMFYSA-N 0 0 406.504 4.045 20 5 HIBDRN COc1ccc([C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C(F)(F)F)cc1 ZINC000544421877 940421281 /nfs/dbraw/zinc/42/12/81/940421281.db2.gz OLAGDFNWCRTFBM-HWPZZCPQSA-N 0 0 400.328 4.266 20 5 HIBDRN COC(=O)CCSCc1cccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000544444722 940433326 /nfs/dbraw/zinc/43/33/26/940433326.db2.gz UVEJUUZTFVDGLM-CYBMUJFWSA-N 0 0 420.462 4.272 20 5 HIBDRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000544503494 940458422 /nfs/dbraw/zinc/45/84/22/940458422.db2.gz NXCXEOHTMFFWGT-GJZGRUSLSA-N 0 0 419.884 4.442 20 5 HIBDRN Cc1ncc2c(n1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C2 ZINC000544510838 940462560 /nfs/dbraw/zinc/46/25/60/940462560.db2.gz IAURLRMAHIVNCX-UHFFFAOYSA-N 0 0 412.515 4.174 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NCc3nc(-c4cccc([N+](=O)[O-])c4)no3)n2)cc1 ZINC000544518697 940469787 /nfs/dbraw/zinc/46/97/87/940469787.db2.gz BMQMNBDRYZRNHF-ZDUSSCGKSA-N 0 0 420.429 4.108 20 5 HIBDRN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000544552936 940477844 /nfs/dbraw/zinc/47/78/44/940477844.db2.gz CDHMZTNJQSCUDS-CTNGQTDRSA-N 0 0 412.511 4.265 20 5 HIBDRN Cc1cc(C)n(Cc2cccc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)c2)n1 ZINC000544563946 940480081 /nfs/dbraw/zinc/48/00/81/940480081.db2.gz MXVMNCNIPHIIFM-UHFFFAOYSA-N 0 0 418.457 4.161 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000544571236 940482166 /nfs/dbraw/zinc/48/21/66/940482166.db2.gz BDFTZGYLANLQBJ-UHFFFAOYSA-N 0 0 424.848 4.447 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000544594136 940486240 /nfs/dbraw/zinc/48/62/40/940486240.db2.gz MLYVCXHTVQMKJP-UGSOOPFHSA-N 0 0 402.422 4.218 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c1 ZINC000544631640 940494470 /nfs/dbraw/zinc/49/44/70/940494470.db2.gz WLHWICXKGVOKIJ-UHFFFAOYSA-N 0 0 421.219 4.053 20 5 HIBDRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000563920224 945326113 /nfs/dbraw/zinc/32/61/13/945326113.db2.gz BGOLYQBOAKIVFI-GOSISDBHSA-N 0 0 423.391 4.063 20 5 HIBDRN CC(C)(NC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000544697595 940503928 /nfs/dbraw/zinc/50/39/28/940503928.db2.gz KZVSMBRQSSDIAV-PKOBYXMFSA-N 0 0 401.438 4.189 20 5 HIBDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000544732987 940508609 /nfs/dbraw/zinc/50/86/09/940508609.db2.gz QQDMQGNYFNFWDL-GFCCVEGCSA-N 0 0 422.890 4.331 20 5 HIBDRN COc1ccc(-c2cnc(CCc3nc(-c4ccc([N+](=O)[O-])cc4C)no3)o2)cc1 ZINC000544750159 940510636 /nfs/dbraw/zinc/51/06/36/940510636.db2.gz JXZOFVCUISMZSB-UHFFFAOYSA-N 0 0 406.398 4.402 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(NC(=O)N(C)C)cc2Cl)n1 ZINC000544750988 940510832 /nfs/dbraw/zinc/51/08/32/940510832.db2.gz UXBGTCCWFMMZKB-UHFFFAOYSA-N 0 0 401.810 4.367 20 5 HIBDRN Cc1ccc2oc(CN(Cc3ccco3)C(=O)c3cc([N+](=O)[O-])cnc3N)cc2c1 ZINC000544756285 940510881 /nfs/dbraw/zinc/51/08/81/940510881.db2.gz DTCNCAFJWHJNTN-UHFFFAOYSA-N 0 0 406.398 4.062 20 5 HIBDRN COc1ccc(-c2noc(CCCc3nc(-c4ccc([N+](=O)[O-])cc4C)no3)n2)cc1 ZINC000544784207 940513633 /nfs/dbraw/zinc/51/36/33/940513633.db2.gz BJZJSWPZXRSXRG-UHFFFAOYSA-N 0 0 421.413 4.187 20 5 HIBDRN O=[N+]([O-])c1cccc(Cc2nc(Cc3c[nH]c4ccc(Br)cc34)no2)c1 ZINC000544800792 940515394 /nfs/dbraw/zinc/51/53/94/940515394.db2.gz TXWHRNAZSMALON-UHFFFAOYSA-N 0 0 413.231 4.403 20 5 HIBDRN CCN1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2C1 ZINC000544813488 940516739 /nfs/dbraw/zinc/51/67/39/940516739.db2.gz VMXCFWMTDJRDDS-MRXNPFEDSA-N 0 0 418.497 4.320 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(OC(C)C)c1 ZINC000544827439 940517815 /nfs/dbraw/zinc/51/78/15/940517815.db2.gz PNLIUAVNYBINIL-UHFFFAOYSA-N 0 0 420.487 4.381 20 5 HIBDRN O=[N+]([O-])c1ccccc1Cc1noc(CCc2nnc(-c3ccc(Cl)cc3)o2)n1 ZINC000544906321 940523761 /nfs/dbraw/zinc/52/37/61/940523761.db2.gz JNRNIYBQQOLDIV-UHFFFAOYSA-N 0 0 411.805 4.057 20 5 HIBDRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000544907219 940523766 /nfs/dbraw/zinc/52/37/66/940523766.db2.gz UIRSVFROCRKRHQ-GFCCVEGCSA-N 0 0 416.434 4.141 20 5 HIBDRN O=[N+]([O-])c1cc2c(cc1Cc1nc(CSc3ccc(Cl)cc3)no1)OCCO2 ZINC000544906609 940523813 /nfs/dbraw/zinc/52/38/13/940523813.db2.gz SERCGTLTPGQVGZ-UHFFFAOYSA-N 0 0 419.846 4.286 20 5 HIBDRN O=[N+]([O-])c1cccc(CCc2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)c1 ZINC000544919530 940525270 /nfs/dbraw/zinc/52/52/70/940525270.db2.gz CTWKUSRFNRZVCM-UHFFFAOYSA-N 0 0 401.806 4.245 20 5 HIBDRN Cn1cc([N+](=O)[O-])cc1-c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1 ZINC000544946775 940527196 /nfs/dbraw/zinc/52/71/96/940527196.db2.gz GNRSLCXYTRSUFA-UHFFFAOYSA-N 0 0 407.361 4.042 20 5 HIBDRN COc1ccc(-c2nc(Cc3ccc(OCc4ccccn4)cc3)no2)cc1[N+](=O)[O-] ZINC000544949790 940527419 /nfs/dbraw/zinc/52/74/19/940527419.db2.gz AUFIHWXCKTWAHC-UHFFFAOYSA-N 0 0 418.409 4.218 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000544949895 940527425 /nfs/dbraw/zinc/52/74/25/940527425.db2.gz AYPGJRATOCCDIN-UHFFFAOYSA-N 0 0 407.405 4.486 20 5 HIBDRN COc1ccc(Cc2nc(Cc3cc(Br)ccc3F)no2)cc1[N+](=O)[O-] ZINC000544956790 940528281 /nfs/dbraw/zinc/52/82/81/940528281.db2.gz YLWRJHNQRGXXFO-UHFFFAOYSA-N 0 0 422.210 4.070 20 5 HIBDRN CC(C)c1[nH]nc(-c2nc(Cc3ccc(OCc4ccncc4)cc3)no2)c1[N+](=O)[O-] ZINC000544967187 940529346 /nfs/dbraw/zinc/52/93/46/940529346.db2.gz WUPISCFTTZXDHP-UHFFFAOYSA-N 0 0 420.429 4.056 20 5 HIBDRN CCOC(=O)c1cc(-c2nc(-c3ccc4nc(C)sc4c3)no2)cc([N+](=O)[O-])c1 ZINC000545011249 940533419 /nfs/dbraw/zinc/53/34/19/940533419.db2.gz IEPNBVRGOYXAEO-UHFFFAOYSA-N 0 0 410.411 4.407 20 5 HIBDRN CN(C)c1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1F ZINC000545013423 940533537 /nfs/dbraw/zinc/53/35/37/940533537.db2.gz RGNKSFMQPOUZFG-UHFFFAOYSA-N 0 0 414.440 4.458 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cc2ccc3c(c2)OCO3)no1 ZINC000545017211 940533901 /nfs/dbraw/zinc/53/39/01/940533901.db2.gz GCSHQECGIQTGMC-JTQLQIEISA-N 0 0 403.778 4.091 20 5 HIBDRN COc1cc(Cc2noc(-c3cccc(OCC(F)(F)F)c3)n2)ccc1[N+](=O)[O-] ZINC000545045661 940536663 /nfs/dbraw/zinc/53/66/63/940536663.db2.gz REHWHQQCBBUFAV-UHFFFAOYSA-N 0 0 409.320 4.185 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nc(-c3ccon3)no2)CC1 ZINC000545071289 940539045 /nfs/dbraw/zinc/53/90/45/940539045.db2.gz KNQWOUAWWSVCPJ-UHFFFAOYSA-N 0 0 409.324 4.036 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2cc(Cl)ccc2O[C@H]2CCOC2)no1 ZINC000545071834 940539271 /nfs/dbraw/zinc/53/92/71/940539271.db2.gz SIYSIGAFOWCAJD-AWEZNQCLSA-N 0 0 401.806 4.441 20 5 HIBDRN C[C@@H]1Sc2ccc(-c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)cc2NC1=O ZINC000545073709 940539340 /nfs/dbraw/zinc/53/93/40/940539340.db2.gz JVUNQUWFTHBHLY-JTQLQIEISA-N 0 0 421.438 4.150 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(/C=C\c3ccc(Oc4cccnc4)c(F)c3)n2)nc1 ZINC000545075722 940539815 /nfs/dbraw/zinc/53/98/15/940539815.db2.gz NCVWADZNDFOXJO-YWEYNIOJSA-N 0 0 419.372 4.460 20 5 HIBDRN Cc1c(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cnn1Cc1ccccc1 ZINC000545076752 940540019 /nfs/dbraw/zinc/54/00/19/940540019.db2.gz HHMHNOSQYNYJAR-UHFFFAOYSA-N 0 0 414.425 4.270 20 5 HIBDRN COc1cc(Cc2noc(CCc3ccccc3Br)n2)ccc1[N+](=O)[O-] ZINC000545076908 940540065 /nfs/dbraw/zinc/54/00/65/940540065.db2.gz LBTYCDAXSDUQMT-UHFFFAOYSA-N 0 0 418.247 4.125 20 5 HIBDRN Cc1cc(Br)cc2cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)oc21 ZINC000545078521 940540141 /nfs/dbraw/zinc/54/01/41/940540141.db2.gz LCUPTEJYUFZJKT-UHFFFAOYSA-N 0 0 415.203 4.448 20 5 HIBDRN C[C@@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccc(Br)cc1 ZINC000545079052 940540347 /nfs/dbraw/zinc/54/03/47/940540347.db2.gz SJPWYJUOIASLFW-NSHDSACASA-N 0 0 403.236 4.072 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1-c1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1 ZINC000545118050 940544378 /nfs/dbraw/zinc/54/43/78/940544378.db2.gz KLIBFXVDGPRPKG-UHFFFAOYSA-N 0 0 417.759 4.353 20 5 HIBDRN COc1ccc(Cc2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1OC ZINC000545123511 940544951 /nfs/dbraw/zinc/54/49/51/940544951.db2.gz BRYZHNMHHYQJGH-UHFFFAOYSA-N 0 0 401.394 4.051 20 5 HIBDRN Cc1oc(-c2ccsc2)nc1CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C ZINC000545135706 940547518 /nfs/dbraw/zinc/54/75/18/940547518.db2.gz UYVJLLMEEFOCPI-UHFFFAOYSA-N 0 0 414.468 4.159 20 5 HIBDRN Cn1cncc1Cc1noc(-c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 ZINC000545138687 940548225 /nfs/dbraw/zinc/54/82/25/940548225.db2.gz CLAVQSCZCZNUAN-UHFFFAOYSA-N 0 0 424.848 4.235 20 5 HIBDRN C[C@@H](NC(=O)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000545159705 940552585 /nfs/dbraw/zinc/55/25/85/940552585.db2.gz YPRLWRQTWGIAJW-YJYMSZOUSA-N 0 0 413.865 4.132 20 5 HIBDRN COC(=O)c1cc(N[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc(C)c1[N+](=O)[O-] ZINC000545165674 940553147 /nfs/dbraw/zinc/55/31/47/940553147.db2.gz POKUGMSWOLFNLA-SFHVURJKSA-N 0 0 414.849 4.278 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)NC(C)(C)c3cnn(C)c3)cc2[N+](=O)[O-])cc1 ZINC000545288845 940560135 /nfs/dbraw/zinc/56/01/35/940560135.db2.gz AXGJARFADUBNAQ-UHFFFAOYSA-N 0 0 410.499 4.453 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCOC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000545300981 940560766 /nfs/dbraw/zinc/56/07/66/940560766.db2.gz KWJLESOBYQCZKJ-UHFFFAOYSA-N 0 0 422.547 4.145 20 5 HIBDRN Cc1ccc(-c2cnc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)s2)c(C)c1 ZINC000545303766 940560915 /nfs/dbraw/zinc/56/09/15/940560915.db2.gz OZXFDPMXHMETKG-UHFFFAOYSA-N 0 0 411.439 4.359 20 5 HIBDRN Cc1cc(NC(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)ccc1[N+](=O)[O-] ZINC000545329847 940561989 /nfs/dbraw/zinc/56/19/89/940561989.db2.gz BKXNGPQTPWJVHK-UHFFFAOYSA-N 0 0 417.535 4.007 20 5 HIBDRN COc1ccccc1CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000545416576 940568892 /nfs/dbraw/zinc/56/88/92/940568892.db2.gz XYNYHWLMEZKJBZ-UHFFFAOYSA-N 0 0 410.455 4.125 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC(C)C ZINC000545453290 940570645 /nfs/dbraw/zinc/57/06/45/940570645.db2.gz RKQWCYGHEMAFHF-LBPRGKRZSA-N 0 0 408.838 4.450 20 5 HIBDRN CCCc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1cc(C)ccn1 ZINC000545500311 940572218 /nfs/dbraw/zinc/57/22/18/940572218.db2.gz PZBIUTYJYCBREY-UHFFFAOYSA-N 0 0 413.865 4.271 20 5 HIBDRN Nc1ccc(-c2noc(C3CCN(c4nc5ccccc5s4)CC3)n2)cc1[N+](=O)[O-] ZINC000545548930 940574399 /nfs/dbraw/zinc/57/43/99/940574399.db2.gz UHUHLCPOWPJIIR-UHFFFAOYSA-N 0 0 422.470 4.221 20 5 HIBDRN Nc1ccc(-c2noc([C@H]3C[C@@H]3c3cccc(Br)c3)n2)cc1[N+](=O)[O-] ZINC000545550730 940574408 /nfs/dbraw/zinc/57/44/08/940574408.db2.gz YTOFWPKJGNHATR-OLZOCXBDSA-N 0 0 401.220 4.261 20 5 HIBDRN Nc1ccc(-c2noc([C@H]3C[C@H]3c3ccccc3OC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000545551069 940574434 /nfs/dbraw/zinc/57/44/34/940574434.db2.gz LAYJDIMMILZYBH-RYUDHWBXSA-N 0 0 406.320 4.397 20 5 HIBDRN Nc1ccc(-c2noc([C@@H]3C[C@H]3c3cccc(Br)c3)n2)cc1[N+](=O)[O-] ZINC000545550731 940574450 /nfs/dbraw/zinc/57/44/50/940574450.db2.gz YTOFWPKJGNHATR-QWHCGFSZSA-N 0 0 401.220 4.261 20 5 HIBDRN Cc1ccc(-c2noc(CCSCc3nc4ccccc4c(=O)[nH]3)n2)cc1[N+](=O)[O-] ZINC000545569720 940575152 /nfs/dbraw/zinc/57/51/52/940575152.db2.gz ATSVPKPFRDMRQZ-UHFFFAOYSA-N 0 0 423.454 4.078 20 5 HIBDRN Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1[N+](=O)[O-] ZINC000545577261 940575609 /nfs/dbraw/zinc/57/56/09/940575609.db2.gz RHTVFIWVVLVFSL-MRXNPFEDSA-N 0 0 410.405 4.112 20 5 HIBDRN C[C@H](c1nc(Cc2cc(Cl)c3c(c2)OCCO3)no1)c1ccc([N+](=O)[O-])cc1F ZINC000545591924 940576257 /nfs/dbraw/zinc/57/62/57/940576257.db2.gz VPQAUVSNVXAJBD-JTQLQIEISA-N 0 0 419.796 4.284 20 5 HIBDRN O=C(Nc1ccccc1)Nc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)cc1 ZINC000545625154 940577788 /nfs/dbraw/zinc/57/77/88/940577788.db2.gz VHFGZTBOSVMDKF-UHFFFAOYSA-N 0 0 402.370 4.351 20 5 HIBDRN COCCOc1cccc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)c1 ZINC000545663920 940579570 /nfs/dbraw/zinc/57/95/70/940579570.db2.gz RTHKRBOUYSYVIM-UHFFFAOYSA-N 0 0 424.438 4.461 20 5 HIBDRN COc1cc(OCc2nc(-c3ccc(Oc4cccnc4)cc3)no2)ccc1[N+](=O)[O-] ZINC000545668323 940579745 /nfs/dbraw/zinc/57/97/45/940579745.db2.gz UBZLIJHAJRCQEA-UHFFFAOYSA-N 0 0 420.381 4.420 20 5 HIBDRN COc1ccc(Br)c(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c1 ZINC000545670388 940579906 /nfs/dbraw/zinc/57/99/06/940579906.db2.gz XKLKFJJULQEHOB-UHFFFAOYSA-N 0 0 419.235 4.071 20 5 HIBDRN Cc1ccc(F)cc1-c1noc(-c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)n1 ZINC000545702667 940581556 /nfs/dbraw/zinc/58/15/56/940581556.db2.gz XOXUBOBXZYPJNJ-UHFFFAOYSA-N 0 0 412.406 4.039 20 5 HIBDRN O=C(c1ccccc1)N(Cc1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1)C1CC1 ZINC000545725875 940582521 /nfs/dbraw/zinc/58/25/21/940582521.db2.gz QSQSSPUBFDILAW-UHFFFAOYSA-N 0 0 412.833 4.027 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccnc(OC4CCC4)c3)no2)ccc1OC(F)F ZINC000545759902 940584322 /nfs/dbraw/zinc/58/43/22/940584322.db2.gz HHRBIDBGQYGWOB-UHFFFAOYSA-N 0 0 404.329 4.240 20 5 HIBDRN COc1ccc(Cl)cc1/C=C\c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000545762391 940584401 /nfs/dbraw/zinc/58/44/01/940584401.db2.gz GKFCHXKFCYJJFY-YWEYNIOJSA-N 0 0 401.806 4.410 20 5 HIBDRN CCOc1ccc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)cc1OC ZINC000545762537 940584434 /nfs/dbraw/zinc/58/44/34/940584434.db2.gz ZHEGNZWUUDGZMI-JXMROGBWSA-N 0 0 411.414 4.155 20 5 HIBDRN COc1cc(Cc2noc([C@H](C)c3ccc(Br)cc3)n2)ccc1[N+](=O)[O-] ZINC000545765609 940584683 /nfs/dbraw/zinc/58/46/83/940584683.db2.gz VOWSWVMATFSDAT-LLVKDONJSA-N 0 0 418.247 4.492 20 5 HIBDRN COc1cc(Cc2noc(-c3csc(Cc4ccccc4)n3)n2)ccc1[N+](=O)[O-] ZINC000545777073 940585056 /nfs/dbraw/zinc/58/50/56/940585056.db2.gz WYFYQPONKNOQQW-UHFFFAOYSA-N 0 0 408.439 4.292 20 5 HIBDRN COc1cc(Cc2noc(CCn3ccc4cc(Cl)ccc43)n2)ccc1[N+](=O)[O-] ZINC000545777403 940585172 /nfs/dbraw/zinc/58/51/72/940585172.db2.gz YPQPWNAHEHFASC-UHFFFAOYSA-N 0 0 412.833 4.428 20 5 HIBDRN COc1cc(Br)ccc1-c1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000545779786 940587347 /nfs/dbraw/zinc/58/73/47/940587347.db2.gz FTVFUHNBDPQQNW-UHFFFAOYSA-N 0 0 405.208 4.028 20 5 HIBDRN Cc1c(Cc2noc(CCNC(=O)c3ccc(C(C)(C)C)cc3)n2)cccc1[N+](=O)[O-] ZINC000545779222 940587355 /nfs/dbraw/zinc/58/73/55/940587355.db2.gz HSWOSBKQZZTJEE-UHFFFAOYSA-N 0 0 422.485 4.147 20 5 HIBDRN COc1cc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cc(OC)c1OC(F)F ZINC000545779984 940588196 /nfs/dbraw/zinc/58/81/96/940588196.db2.gz BQOMKUMCCAESPE-UHFFFAOYSA-N 0 0 421.356 4.163 20 5 HIBDRN O=[N+]([O-])c1cccc(OCc2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)c1 ZINC000545780788 940588368 /nfs/dbraw/zinc/58/83/68/940588368.db2.gz NSDNIVQQKFLZFT-HNNXBMFYSA-N 0 0 417.805 4.045 20 5 HIBDRN CC(=O)N1CCC[C@H](c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)C1 ZINC000545784460 940590846 /nfs/dbraw/zinc/59/08/46/940590846.db2.gz MCTPHGXQWUKWPP-INIZCTEOSA-N 0 0 408.414 4.163 20 5 HIBDRN Cc1ccc(NC(=O)CSCc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cc1 ZINC000545783876 940590877 /nfs/dbraw/zinc/59/08/77/940590877.db2.gz GEGZUZKVILHXRR-UHFFFAOYSA-N 0 0 412.471 4.057 20 5 HIBDRN C[C@@H](Cc1ccc2ccccc2n1)Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C ZINC000545818892 940612487 /nfs/dbraw/zinc/61/24/87/940612487.db2.gz RJEWAZMARXOCOE-ZDUSSCGKSA-N 0 0 406.467 4.113 20 5 HIBDRN COC(=O)CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1C ZINC000545819858 940613292 /nfs/dbraw/zinc/61/32/92/940613292.db2.gz KDLZBTILLZSZMN-UHFFFAOYSA-N 0 0 410.348 4.132 20 5 HIBDRN CN(C)C(=O)c1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)ccc1Cl ZINC000545828910 940618623 /nfs/dbraw/zinc/61/86/23/940618623.db2.gz ALWSYWZKWXJZAK-UHFFFAOYSA-N 0 0 407.829 4.005 20 5 HIBDRN CC(C)(C(=O)NCc1nccn1CCCc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000545856678 940639879 /nfs/dbraw/zinc/63/98/79/940639879.db2.gz GVGNHWXFDVZUJE-UHFFFAOYSA-N 0 0 424.476 4.157 20 5 HIBDRN CCc1cc(N2CC[C@@H](OCc3c(C)noc3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000545872622 940646649 /nfs/dbraw/zinc/64/66/49/940646649.db2.gz LCLCHPHMFNESRM-LJQANCHMSA-N 0 0 423.473 4.015 20 5 HIBDRN Cc1cccc(C)c1[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000546158402 940717101 /nfs/dbraw/zinc/71/71/01/940717101.db2.gz JIOYQJUSALEXJN-FXAWDEMLSA-N 0 0 409.486 4.002 20 5 HIBDRN COc1ccc(CCc2nc(Cc3ccccc3[N+](=O)[O-])no2)cc1Br ZINC000546241451 940742200 /nfs/dbraw/zinc/74/22/00/940742200.db2.gz LRKHLMMPYHKWFZ-UHFFFAOYSA-N 0 0 418.247 4.125 20 5 HIBDRN CCCCCn1nc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccc2c1=O ZINC000546259417 940751124 /nfs/dbraw/zinc/75/11/24/940751124.db2.gz UXZYGYJJMGBJTG-UHFFFAOYSA-N 0 0 405.414 4.212 20 5 HIBDRN 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ZINC000546290193 940766541 /nfs/dbraw/zinc/76/65/41/940766541.db2.gz WECVUTODRDTMNI-UHFFFAOYSA-N 0 0 413.231 4.403 20 5 HIBDRN O=C(Nc1ccccc1-c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1)C1CC1 ZINC000546296342 940769543 /nfs/dbraw/zinc/76/95/43/940769543.db2.gz ZVXLZEKGOYGQKF-UHFFFAOYSA-N 0 0 403.398 4.065 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccnc(-n5cccn5)c4)no3)cs2)c1 ZINC000546313605 940778941 /nfs/dbraw/zinc/77/89/41/940778941.db2.gz JOHUXHIUAKAAMR-UHFFFAOYSA-N 0 0 417.410 4.016 20 5 HIBDRN Cc1nn(CCc2nc(Cc3csc(-c4ccc(C)cc4)n3)no2)c(C)c1[N+](=O)[O-] ZINC000546317110 940780154 /nfs/dbraw/zinc/78/01/54/940780154.db2.gz WJUJTDMGYHKYHY-UHFFFAOYSA-N 0 0 424.486 4.057 20 5 HIBDRN COc1ccc(Cc2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)cc1[N+](=O)[O-] ZINC000546329091 940787831 /nfs/dbraw/zinc/78/78/31/940787831.db2.gz KSMUCRLOCMBDRU-UHFFFAOYSA-N 0 0 420.381 4.090 20 5 HIBDRN CCOc1ccc(Br)cc1-c1noc(-c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000546343480 940795464 /nfs/dbraw/zinc/79/54/64/940795464.db2.gz 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Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000546398931 940810844 /nfs/dbraw/zinc/81/08/44/940810844.db2.gz ATKPIKQXQZIDRE-MRXNPFEDSA-N 0 0 424.432 4.041 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2csc(NC(=O)c3ccccc3)n2)n1 ZINC000546401606 940811517 /nfs/dbraw/zinc/81/15/17/940811517.db2.gz IKNUGPDLMPBJIR-UHFFFAOYSA-N 0 0 421.438 4.253 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)ccc1-n1cncn1 ZINC000546409412 940813374 /nfs/dbraw/zinc/81/33/74/940813374.db2.gz ZFQCJOGCAFTXEY-UHFFFAOYSA-N 0 0 420.282 4.050 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(-c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000546415227 940814749 /nfs/dbraw/zinc/81/47/49/940814749.db2.gz ICAILLSHFBCJGX-UHFFFAOYSA-N 0 0 424.461 4.219 20 5 HIBDRN CCc1cccnc1-c1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000546416667 940815015 /nfs/dbraw/zinc/81/50/15/940815015.db2.gz FLMLBDKITQMXEG-UHFFFAOYSA-N 0 0 407.352 4.276 20 5 HIBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(CN(C(=O)c2ccccc2)C2CC2)no1 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Cc1c(Cc2noc(CCCc3nc(-c4ccc(F)cc4)no3)n2)cccc1[N+](=O)[O-] ZINC000546492287 940835349 /nfs/dbraw/zinc/83/53/49/940835349.db2.gz AOMWWXHNSZOWLF-UHFFFAOYSA-N 0 0 423.404 4.241 20 5 HIBDRN CC(=O)c1ccc(OCCCc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 ZINC000546494103 940835995 /nfs/dbraw/zinc/83/59/95/940835995.db2.gz JRSLVHCCIUAIRR-UHFFFAOYSA-N 0 0 420.425 4.264 20 5 HIBDRN CS[C@H]1C(=O)Nc2ccc(-c3noc(C(C)(C)c4ccc([N+](=O)[O-])cc4)n3)cc21 ZINC000546501714 940838019 /nfs/dbraw/zinc/83/80/19/940838019.db2.gz DLPBHPPDEZHSCB-MRXNPFEDSA-N 0 0 410.455 4.327 20 5 HIBDRN CO[C@H](c1noc(CCc2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1 ZINC000546514976 940840600 /nfs/dbraw/zinc/84/06/00/940840600.db2.gz QSVUWUNBMNUNFF-KRWDZBQOSA-N 0 0 418.247 4.261 20 5 HIBDRN CO[C@H](c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1)c1ccc(F)cc1 ZINC000546517191 940840997 /nfs/dbraw/zinc/84/09/97/940840997.db2.gz PVFSBJOYOMKLEF-QHCPKHFHSA-N 0 0 415.424 4.461 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2c1noc(-c2cc(OC)c(OC)c([N+](=O)[O-])c2)n1 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/nfs/dbraw/zinc/63/20/49/941632049.db2.gz GNYGWMVVQFBAEK-SFHVURJKSA-N 0 0 403.429 4.143 20 5 HIBDRN CSc1nc(C2CC2)nc(C)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552395230 941656026 /nfs/dbraw/zinc/65/60/26/941656026.db2.gz BLRDOBXRVUBTBQ-UHFFFAOYSA-N 0 0 423.292 4.307 20 5 HIBDRN COCC[C@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000552398870 941657154 /nfs/dbraw/zinc/65/71/54/941657154.db2.gz YNXDYTAKXPMBBF-ZDUSSCGKSA-N 0 0 415.277 4.256 20 5 HIBDRN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000552509291 941691416 /nfs/dbraw/zinc/69/14/16/941691416.db2.gz DQKZLPHZJNYRJE-CYBMUJFWSA-N 0 0 420.391 4.375 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000552600275 941718703 /nfs/dbraw/zinc/71/87/03/941718703.db2.gz PXWQKOOVOXNYRO-UHFFFAOYSA-N 0 0 418.375 4.114 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000552609521 941721091 /nfs/dbraw/zinc/72/10/91/941721091.db2.gz 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O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000553433650 941883791 /nfs/dbraw/zinc/88/37/91/941883791.db2.gz LTYMTXIQIOQMHO-CQSZACIVSA-N 0 0 408.241 4.236 20 5 HIBDRN COc1ccc(-c2ccc(CNc3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)s2)cc1 ZINC000553487114 941894347 /nfs/dbraw/zinc/89/43/47/941894347.db2.gz MIXJNIFMWHUKKE-UHFFFAOYSA-N 0 0 408.439 4.593 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2Nc2cnn(-c3ccccc3Br)c2)s1 ZINC000553507334 941898218 /nfs/dbraw/zinc/89/82/18/941898218.db2.gz OYYOMCYLYXKORQ-UHFFFAOYSA-N 0 0 417.248 4.291 20 5 HIBDRN Cc1nnsc1CNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000553528236 941903698 /nfs/dbraw/zinc/90/36/98/941903698.db2.gz LTXXKCKKKFCAJJ-UHFFFAOYSA-N 0 0 400.485 4.144 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000553542713 941905795 /nfs/dbraw/zinc/90/57/95/941905795.db2.gz JDQYFIGOQHJYOJ-HNNXBMFYSA-N 0 0 424.226 4.241 20 5 HIBDRN CC(C)(C)Oc1cc(N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000553574072 941912424 /nfs/dbraw/zinc/91/24/24/941912424.db2.gz YZFLXGVCENWXOK-CYBMUJFWSA-N 0 0 417.428 4.057 20 5 HIBDRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000553641927 941929965 /nfs/dbraw/zinc/92/99/65/941929965.db2.gz JRFIHYNWAYKLJK-UHFFFAOYSA-N 0 0 400.818 4.364 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCN(c2ccccc2F)CC1 ZINC000553655299 941936409 /nfs/dbraw/zinc/93/64/09/941936409.db2.gz LPUVXKJUNXNGSV-UHFFFAOYSA-N 0 0 423.897 4.218 20 5 HIBDRN O=C(Cc1noc(/C=C\c2ccc(F)cc2[N+](=O)[O-])n1)Nc1ccc(Cl)cc1 ZINC000553707037 941947972 /nfs/dbraw/zinc/94/79/72/941947972.db2.gz AUNNZASLSJBLHN-WAPJZHGLSA-N 0 0 402.769 4.122 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553717886 941951163 /nfs/dbraw/zinc/95/11/63/941951163.db2.gz SQIRHBSGJGZINK-GTNSWQLSSA-N 0 0 412.339 4.355 20 5 HIBDRN C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553721616 941952004 /nfs/dbraw/zinc/95/20/04/941952004.db2.gz GGBJVJXBICTVNV-YGRLFVJLSA-N 0 0 400.378 4.277 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2nc3c(cccc3Br)s2)c1[N+](=O)[O-] ZINC000553745182 941957887 /nfs/dbraw/zinc/95/78/87/941957887.db2.gz CPWSXVODNPQWSF-UHFFFAOYSA-N 0 0 410.253 4.066 20 5 HIBDRN C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@H]1OCCc2sccc21 ZINC000553858931 941985298 /nfs/dbraw/zinc/98/52/98/941985298.db2.gz QRDPKGBTXGRGPT-MCMMXHMISA-N 0 0 404.491 4.175 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1 ZINC000553962988 942008677 /nfs/dbraw/zinc/00/86/77/942008677.db2.gz SKICZQYQXKQVSF-CQSZACIVSA-N 0 0 403.479 4.245 20 5 HIBDRN COc1ccc(CCc2nnc(NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)o2)cc1 ZINC000554010993 942018727 /nfs/dbraw/zinc/01/87/27/942018727.db2.gz ZDFYPQJELZTGEU-UHFFFAOYSA-N 0 0 420.425 4.644 20 5 HIBDRN Cc1c(I)cccc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000554061819 942027856 /nfs/dbraw/zinc/02/78/56/942027856.db2.gz XKYLPJUPIQQJIF-UHFFFAOYSA-N 0 0 424.238 4.173 20 5 HIBDRN CC(=O)Nc1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000554070638 942029601 /nfs/dbraw/zinc/02/96/01/942029601.db2.gz VNGPQEABVUGBRF-UHFFFAOYSA-N 0 0 409.364 4.237 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCn2c(cc3ccccc32)C1 ZINC000554086413 942033434 /nfs/dbraw/zinc/03/34/34/942033434.db2.gz JCTKTMODXLTMQF-UHFFFAOYSA-N 0 0 418.497 4.198 20 5 HIBDRN CCc1ccc([C@H]2CCN(C(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC000554155296 942052069 /nfs/dbraw/zinc/05/20/69/942052069.db2.gz HVTFIYXBVWWWCJ-HNNXBMFYSA-N 0 0 420.412 4.397 20 5 HIBDRN Cc1noc([C@@H]2CCCN2C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000554474606 942155595 /nfs/dbraw/zinc/15/55/95/942155595.db2.gz HXQWAAIBDWJMPK-SFHVURJKSA-N 0 0 409.402 4.448 20 5 HIBDRN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000554502419 942160974 /nfs/dbraw/zinc/16/09/74/942160974.db2.gz YEOWMXNBESTLPH-INIZCTEOSA-N 0 0 409.364 4.001 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000554602231 942174445 /nfs/dbraw/zinc/17/44/45/942174445.db2.gz FWIAUYCLTQEULF-UHFFFAOYSA-N 0 0 418.291 4.447 20 5 HIBDRN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000554775397 942231534 /nfs/dbraw/zinc/23/15/34/942231534.db2.gz CTUYUMKTOQMTMH-RYQLBKOJSA-N 0 0 400.500 4.398 20 5 HIBDRN CCc1noc(C)c1C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 ZINC000554776083 942232454 /nfs/dbraw/zinc/23/24/54/942232454.db2.gz RTSCJMPHEGOGAW-UHFFFAOYSA-N 0 0 407.386 4.152 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC000554801321 942247228 /nfs/dbraw/zinc/24/72/28/942247228.db2.gz QVNIMNYBENFKEU-QGZVFWFLSA-N 0 0 408.458 4.218 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cc2ccccc2[nH]1 ZINC000554813645 942256843 /nfs/dbraw/zinc/25/68/43/942256843.db2.gz VRIRQIMNKYCSPS-UHFFFAOYSA-N 0 0 421.379 4.006 20 5 HIBDRN COc1cccc(CC2(c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)CCCCC2)c1 ZINC000554815464 942257901 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0 420.425 4.202 20 5 HIBDRN CCc1nc2cc(CNC(=O)CSc3ccc([N+](=O)[O-])cc3)ccc2n1C1CC1 ZINC000554979352 942341121 /nfs/dbraw/zinc/34/11/21/942341121.db2.gz YFPQQOALCSFULO-UHFFFAOYSA-N 0 0 410.499 4.250 20 5 HIBDRN COc1cc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1C(C)C ZINC000554984594 942343303 /nfs/dbraw/zinc/34/33/03/942343303.db2.gz BLVQIPPJQWVGMT-UHFFFAOYSA-N 0 0 415.446 4.162 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000555011023 942355026 /nfs/dbraw/zinc/35/50/26/942355026.db2.gz LAHADXKMWUQSNI-ZDUSSCGKSA-N 0 0 413.405 4.294 20 5 HIBDRN CCN1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555125416 942392617 /nfs/dbraw/zinc/39/26/17/942392617.db2.gz LFISONSEABYXOJ-PXNSSMCTSA-N 0 0 417.872 4.189 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)C[C@@H](C)S1 ZINC000555179514 942419582 /nfs/dbraw/zinc/41/95/82/942419582.db2.gz RZVNFTJGMNOHSA-HZPDHXFCSA-N 0 0 409.515 4.232 20 5 HIBDRN C[C@H](c1ccccc1F)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1=O ZINC000555208203 942432767 /nfs/dbraw/zinc/43/27/67/942432767.db2.gz BBXRFPNDRPXVDT-MLGOLLRUSA-N 0 0 423.391 4.499 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000555342368 942484852 /nfs/dbraw/zinc/48/48/52/942484852.db2.gz MSMHKKNEUIMKJN-SNVBAGLBSA-N 0 0 415.290 4.189 20 5 HIBDRN COc1cc(OC)cc([C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)c2nccn2C)c1 ZINC000555392375 942511130 /nfs/dbraw/zinc/51/11/30/942511130.db2.gz WBMQLEIQRMFFDT-VFNWGFHPSA-N 0 0 410.474 4.094 20 5 HIBDRN Cc1ccccc1-c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1CCCCO1 ZINC000555489054 942592079 /nfs/dbraw/zinc/59/20/79/942592079.db2.gz XTUBKPLRBSJJAB-IBGZPJMESA-N 0 0 421.501 4.367 20 5 HIBDRN Cc1cccc(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)c1[N+](=O)[O-] ZINC000555526910 942626652 /nfs/dbraw/zinc/62/66/52/942626652.db2.gz FNEZKIBTIJBBQS-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000555532267 942631201 /nfs/dbraw/zinc/63/12/01/942631201.db2.gz MENZGKNFNRYLTM-UHFFFAOYSA-N 0 0 413.340 4.176 20 5 HIBDRN COc1cc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCCC(C)C ZINC000555722238 942712463 /nfs/dbraw/zinc/71/24/63/942712463.db2.gz OGQVXFKNIGAUCV-INIZCTEOSA-N 0 0 400.475 4.448 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCCOc1ccccc1 ZINC000555816673 942743444 /nfs/dbraw/zinc/74/34/44/942743444.db2.gz QYZJBFMOZWGTRO-UHFFFAOYSA-N 0 0 407.264 4.207 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CCc1nccs1)C(C)C ZINC000555886335 942766440 /nfs/dbraw/zinc/76/64/40/942766440.db2.gz JUYHCHZWJQBZAV-UHFFFAOYSA-N 0 0 412.309 4.216 20 5 HIBDRN CCn1ccnc1[C@H]1CCCCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000556083776 942802726 /nfs/dbraw/zinc/80/27/26/942802726.db2.gz FCLHTSVWTNSDTR-CQSZACIVSA-N 0 0 410.421 4.148 20 5 HIBDRN COc1cccc(NC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)c1 ZINC000556266676 942828592 /nfs/dbraw/zinc/82/85/92/942828592.db2.gz NEHPFDXZWXYOEE-UHFFFAOYSA-N 0 0 423.391 4.339 20 5 HIBDRN COCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccc(Cl)c(Cl)c1 ZINC000556470124 942877442 /nfs/dbraw/zinc/87/74/42/942877442.db2.gz WCZAVRZUDZXIKO-HNNXBMFYSA-N 0 0 413.257 4.418 20 5 HIBDRN Cc1c(NC(=O)CCN2CC[C@](F)(c3cc(F)cc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000556508439 942888031 /nfs/dbraw/zinc/88/80/31/942888031.db2.gz SJIBGELFYLRZPM-HXUWFJFHSA-N 0 0 407.392 4.081 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000556570482 942901698 /nfs/dbraw/zinc/90/16/98/942901698.db2.gz FMFCIRABLFPZMH-UHFFFAOYSA-N 0 0 411.650 4.364 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000556864742 942942927 /nfs/dbraw/zinc/94/29/27/942942927.db2.gz WUGKXZQGYHQLME-JOCHJYFZSA-N 0 0 416.485 4.010 20 5 HIBDRN COc1ccccc1[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000556890711 942953440 /nfs/dbraw/zinc/95/34/40/942953440.db2.gz QQHUPLBMJZQZSL-VXKWHMMOSA-N 0 0 424.501 4.182 20 5 HIBDRN CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000556954690 942978305 /nfs/dbraw/zinc/97/83/05/942978305.db2.gz NTFATHNJYRQKJC-UHFFFAOYSA-N 0 0 411.805 4.594 20 5 HIBDRN C[C@@H](Oc1ccc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cn1)c1ccccc1 ZINC000557075147 943013638 /nfs/dbraw/zinc/01/36/38/943013638.db2.gz BPSJIMLZANHPSH-QGZVFWFLSA-N 0 0 405.454 4.445 20 5 HIBDRN CCC(CC)(CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)OC ZINC000557077215 943014344 /nfs/dbraw/zinc/01/43/44/943014344.db2.gz IBPVQPWUMJWTPX-HNNXBMFYSA-N 0 0 400.479 4.098 20 5 HIBDRN C[C@@H]1COCC[C@H]1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000557111240 943021968 /nfs/dbraw/zinc/02/19/68/943021968.db2.gz JGLDBOQLWXGTIK-HIFRSBDPSA-N 0 0 404.850 4.443 20 5 HIBDRN Cc1ncsc1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000557152026 943033445 /nfs/dbraw/zinc/03/34/45/943033445.db2.gz OZPIUHWHVBOTKY-GOSISDBHSA-N 0 0 416.890 4.483 20 5 HIBDRN C[C@@]12CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C[C@@H]1C2(F)F 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O=C(Nc1ncc(-c2ccccn2)s1)c1sc(Br)cc1[N+](=O)[O-] ZINC000561019038 944397989 /nfs/dbraw/zinc/39/79/89/944397989.db2.gz NTXKAQSZGMTZEX-UHFFFAOYSA-N 0 0 411.262 4.190 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000561207914 944514877 /nfs/dbraw/zinc/51/48/77/944514877.db2.gz KIDNEAFKTWOAFE-INIZCTEOSA-N 0 0 419.457 4.151 20 5 HIBDRN O=c1[nH]c(NCc2ccc(Oc3ccccc3F)c(F)c2)nc2ccc([N+](=O)[O-])cc12 ZINC000561210369 944515883 /nfs/dbraw/zinc/51/58/83/944515883.db2.gz NVHWSEDYFQYIRV-UHFFFAOYSA-N 0 0 424.363 4.926 20 5 HIBDRN Cn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)cc2c1=O ZINC000561325960 944552224 /nfs/dbraw/zinc/55/22/24/944552224.db2.gz JTYSHSQVVPJXDR-UHFFFAOYSA-N 0 0 415.405 4.491 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CSC)cc1 ZINC000561331936 944553562 /nfs/dbraw/zinc/55/35/62/944553562.db2.gz ZNKZBGNMBXVZAA-UHFFFAOYSA-N 0 0 406.529 4.126 20 5 HIBDRN COc1cccc(OC(F)(F)F)c1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000561336501 944555120 /nfs/dbraw/zinc/55/51/20/944555120.db2.gz SMWDFJAYQFGORU-UHFFFAOYSA-N 0 0 404.728 4.085 20 5 HIBDRN Cc1noc(C)c1C(C)(C)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000561390029 944574702 /nfs/dbraw/zinc/57/47/02/944574702.db2.gz LEPYGAUXFUTYCT-UHFFFAOYSA-N 0 0 421.251 4.262 20 5 HIBDRN Cn1cc(-c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2C)c2ccccc21 ZINC000561398571 944578898 /nfs/dbraw/zinc/57/88/98/944578898.db2.gz YMIUANUYYACMHF-UHFFFAOYSA-N 0 0 402.458 4.051 20 5 HIBDRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000561427820 944592977 /nfs/dbraw/zinc/59/29/77/944592977.db2.gz CIEQEMDURJTYHP-UHFFFAOYSA-N 0 0 403.523 4.146 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000561508299 944644239 /nfs/dbraw/zinc/64/42/39/944644239.db2.gz LTOFZSGVJKLYLZ-UHFFFAOYSA-N 0 0 424.432 4.305 20 5 HIBDRN Cc1ccccc1N(C(C)C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000561584141 944688439 /nfs/dbraw/zinc/68/84/39/944688439.db2.gz BMVYVDDKHXQMSQ-UHFFFAOYSA-N 0 0 413.293 4.269 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nccn1-c1ccccc1 ZINC000561643265 944723402 /nfs/dbraw/zinc/72/34/02/944723402.db2.gz HOEBVXVSDIOURV-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN CC(=O)N(c1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)[C@H]1C[C@@H]1C ZINC000561647570 944725978 /nfs/dbraw/zinc/72/59/78/944725978.db2.gz CRERIJFXVPCLGG-ZSEKCTLFSA-N 0 0 406.442 4.019 20 5 HIBDRN COc1cccc(OC(F)(F)F)c1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000561667158 944738309 /nfs/dbraw/zinc/73/83/09/944738309.db2.gz FCSFGYQLZBTHBM-LLVKDONJSA-N 0 0 413.352 4.062 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000561707690 944756297 /nfs/dbraw/zinc/75/62/97/944756297.db2.gz REQKSZOJLXKAPZ-UHFFFAOYSA-N 0 0 411.336 4.456 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)c3ccc(C)cn3)cc2[N+](=O)[O-])n1 ZINC000561877287 944833300 /nfs/dbraw/zinc/83/33/00/944833300.db2.gz DNXIQXSMMSMMRH-UHFFFAOYSA-N 0 0 400.485 4.491 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)cc([N+](=O)[O-])c1OC ZINC000561885368 944836426 /nfs/dbraw/zinc/83/64/26/944836426.db2.gz WPPWNCXQXRPXFF-HNNXBMFYSA-N 0 0 422.890 4.272 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2n[nH]c3ccccc32)no1 ZINC000561900197 944846167 /nfs/dbraw/zinc/84/61/67/944846167.db2.gz RTVIKJHRCYAGBN-UHFFFAOYSA-N 0 0 400.192 4.259 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@H]3c3nnc(C4CCC4)o3)o2)cc1 ZINC000561907733 944850496 /nfs/dbraw/zinc/85/04/96/944850496.db2.gz WGSGMBUFULTCKB-INIZCTEOSA-N 0 0 410.434 4.023 20 5 HIBDRN C[C@@H](c1nc(-c2ccc(C(=O)N3CCC[C@H]3C)cc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000561909483 944851216 /nfs/dbraw/zinc/85/12/16/944851216.db2.gz KUQGIMQUTKIGBV-HUUCEWRRSA-N 0 0 406.442 4.421 20 5 HIBDRN COc1ccc(CN2CCC[C@@H]2c2nc(C)no2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000561963259 944877927 /nfs/dbraw/zinc/87/79/27/944877927.db2.gz IVNFQQILPJXKPF-LJQANCHMSA-N 0 0 424.457 4.211 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000561969398 944881241 /nfs/dbraw/zinc/88/12/41/944881241.db2.gz WDNDVIFKRJUUHX-JXFKEZNVSA-N 0 0 408.458 4.039 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000562007878 944892416 /nfs/dbraw/zinc/89/24/16/944892416.db2.gz FCKKOJHLZOBUNO-KRWDZBQOSA-N 0 0 415.298 4.472 20 5 HIBDRN Cc1c(NC(=O)NCc2cc(F)c(F)cc2Br)cccc1[N+](=O)[O-] ZINC000562019504 944897019 /nfs/dbraw/zinc/89/70/19/944897019.db2.gz MATXAPMUGHCRKG-UHFFFAOYSA-N 0 0 400.179 4.266 20 5 HIBDRN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000562025455 944900252 /nfs/dbraw/zinc/90/02/52/944900252.db2.gz VMUVOAKIOLVUPR-NSHDSACASA-N 0 0 404.858 4.106 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC000562113328 944947789 /nfs/dbraw/zinc/94/77/89/944947789.db2.gz HMWIYWRHQHOCJE-UHFFFAOYSA-N 0 0 401.488 4.315 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000562142442 944972632 /nfs/dbraw/zinc/97/26/32/944972632.db2.gz JZZWVMIEVBXALT-UHFFFAOYSA-N 0 0 413.449 4.206 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1Oc1ccncc1 ZINC000562214779 945023749 /nfs/dbraw/zinc/02/37/49/945023749.db2.gz UUXBYRSYQMUGOB-UHFFFAOYSA-N 0 0 402.410 4.236 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@]1(c1ccccc1)C(F)(F)F ZINC000564149338 945401031 /nfs/dbraw/zinc/40/10/31/945401031.db2.gz YTZXCPKFTIFAAD-GOSISDBHSA-N 0 0 414.330 4.496 20 5 HIBDRN COC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(Cl)c1 ZINC000564161755 945409868 /nfs/dbraw/zinc/40/98/68/945409868.db2.gz QESMBQNOVPMVRS-AWEZNQCLSA-N 0 0 415.780 4.359 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(Cc2ccc(F)cc2Br)n1 ZINC000564246444 945464300 /nfs/dbraw/zinc/46/43/00/945464300.db2.gz HMENZENKDZTVEP-UHFFFAOYSA-N 0 0 421.226 4.125 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@H](c2ccncc2)C1 ZINC000564302167 945505665 /nfs/dbraw/zinc/50/56/65/945505665.db2.gz NTIGNCAJMYYVRM-HNNXBMFYSA-N 0 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COc1ccc(C[C@@](C)(O)CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)cc1OC ZINC000564561673 945680540 /nfs/dbraw/zinc/68/05/40/945680540.db2.gz FLLJKUHHBRPZNS-JOCHJYFZSA-N 0 0 418.490 4.195 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(CC)(CC)C1 ZINC000564671853 945722915 /nfs/dbraw/zinc/72/29/15/945722915.db2.gz YIEHKSSAAJFCFD-UHFFFAOYSA-N 0 0 401.511 4.296 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000564693330 945733768 /nfs/dbraw/zinc/73/37/68/945733768.db2.gz PPFWGBKXWJUMGR-WBVHZDCISA-N 0 0 421.375 4.074 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(N3CCO[C@H](c4cccc(C(F)(F)F)c4)C3)c21 ZINC000564730953 945742228 /nfs/dbraw/zinc/74/22/28/945742228.db2.gz IMFUKXVYVMKKHF-INIZCTEOSA-N 0 0 404.348 4.135 20 5 HIBDRN COc1cc(F)c(F)cc1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000565275994 945801420 /nfs/dbraw/zinc/80/14/20/945801420.db2.gz MOEIQQQKEZLMKN-UHFFFAOYSA-N 0 0 404.316 4.146 20 5 HIBDRN COc1ccccc1[C@@H]1CC[C@H](C)CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000565380507 945820771 /nfs/dbraw/zinc/82/07/71/945820771.db2.gz KEFNFGXBONGNSC-JSGCOSHPSA-N 0 0 410.517 4.046 20 5 HIBDRN Cc1oc(C2CC2)nc1-c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000565505663 945841481 /nfs/dbraw/zinc/84/14/81/945841481.db2.gz UPZIHKMLXOKIQE-UHFFFAOYSA-N 0 0 405.208 4.172 20 5 HIBDRN C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1nc(-c2ccccc2)cs1 ZINC000565513941 945844074 /nfs/dbraw/zinc/84/40/74/945844074.db2.gz RMHXDEYYLHRSDZ-CQSZACIVSA-N 0 0 424.482 4.384 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000565624981 945857658 /nfs/dbraw/zinc/85/76/58/945857658.db2.gz HPJKWWOIOIOKCA-HWPZZCPQSA-N 0 0 400.328 4.259 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc1 ZINC000565625409 945857749 /nfs/dbraw/zinc/85/77/49/945857749.db2.gz IYHWIZRANWWHAF-UHFFFAOYSA-N 0 0 422.407 4.094 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000565680627 945865717 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OYSKBYZBGMGTLD-NSHDSACASA-N 0 0 410.257 4.123 20 5 HIBDRN CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000566392604 946019379 /nfs/dbraw/zinc/01/93/79/946019379.db2.gz OLQPUXPZZNQCJO-UHFFFAOYSA-N 0 0 424.375 4.092 20 5 HIBDRN Cc1ccccc1[C@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(C)(C)C ZINC000566757182 946089121 /nfs/dbraw/zinc/08/91/21/946089121.db2.gz CRHCXZVAJVSXRJ-NRFANRHFSA-N 0 0 423.513 4.298 20 5 HIBDRN COc1cc(Cc2noc(-c3cc4ccccc4cc3O)n2)c([N+](=O)[O-])c(OC)c1 ZINC000566835763 946126818 /nfs/dbraw/zinc/12/68/18/946126818.db2.gz BKTQBARCOBWXHC-UHFFFAOYSA-N 0 0 407.382 4.112 20 5 HIBDRN O=[N+]([O-])c1ccc(OC2CCN(Cc3cc(Cl)c4c(c3)OCCCO4)CC2)cc1 ZINC000566889355 946159514 /nfs/dbraw/zinc/15/95/14/946159514.db2.gz CSEQXXZKUHUHNS-UHFFFAOYSA-N 0 0 418.877 4.453 20 5 HIBDRN CC[C@H](O)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000566991810 946205185 /nfs/dbraw/zinc/20/51/85/946205185.db2.gz YPYCFGDAINALLG-JMPLCFMRSA-N 0 0 411.483 4.022 20 5 HIBDRN 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HIBDRN CCSc1cccc(Br)c1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000574128523 948374547 /nfs/dbraw/zinc/37/45/47/948374547.db2.gz XFQIOEHXFYWMIF-UHFFFAOYSA-N 0 0 410.293 4.180 20 5 HIBDRN COCCC[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000574181979 948379812 /nfs/dbraw/zinc/37/98/12/948379812.db2.gz QIHKWHKJHUVWTA-HNNXBMFYSA-N 0 0 406.866 4.197 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)c1[N+](=O)[O-] ZINC000574241615 948395750 /nfs/dbraw/zinc/39/57/50/948395750.db2.gz CZRSNWLFYRRVJX-UHFFFAOYSA-N 0 0 421.429 4.157 20 5 HIBDRN O=C(CCc1ccc(OC(F)(F)F)cc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000574313872 948409990 /nfs/dbraw/zinc/40/99/90/948409990.db2.gz YCUSDYHYGDMTFZ-UHFFFAOYSA-N 0 0 421.375 4.266 20 5 HIBDRN Cn1ccc(-c2noc(C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)c1 ZINC000574318016 948411114 /nfs/dbraw/zinc/41/11/14/948411114.db2.gz QXSCPLNJSNMRDR-UHFFFAOYSA-N 0 0 421.379 4.386 20 5 HIBDRN CN(C)c1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(C(F)(F)F)c1 ZINC000574322878 948412338 /nfs/dbraw/zinc/41/23/38/948412338.db2.gz RPTNPJCQGKLFGS-UHFFFAOYSA-N 0 0 424.379 4.106 20 5 HIBDRN COc1ccc(Br)cc1CN(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574385154 948430223 /nfs/dbraw/zinc/43/02/23/948430223.db2.gz JSOUKYOHGVJICM-GFCCVEGCSA-N 0 0 407.264 4.128 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CCO[C@@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000574436143 948440750 /nfs/dbraw/zinc/44/07/50/948440750.db2.gz NGJXPEXNIDECKD-DHJUGAMNSA-N 0 0 423.513 4.339 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2ncc[nH]2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000574560249 948474989 /nfs/dbraw/zinc/47/49/89/948474989.db2.gz UFHRYEPPFCCCSP-LLVKDONJSA-N 0 0 416.821 4.263 20 5 HIBDRN Cn1cc(CCNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])cn1 ZINC000574762677 948521892 /nfs/dbraw/zinc/52/18/92/948521892.db2.gz YMWFFPUYNFRSCK-UHFFFAOYSA-N 0 0 416.890 4.105 20 5 HIBDRN CC(C)C[C@@H](C)Oc1cc(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000574977266 948569104 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4.128 20 5 HIBDRN COc1cc(CCNC(=O)C2(c3ccccc3C)CCCC2)c([N+](=O)[O-])cc1OC ZINC000575845564 948740213 /nfs/dbraw/zinc/74/02/13/948740213.db2.gz RXXHQAUYKICUGF-UHFFFAOYSA-N 0 0 412.486 4.091 20 5 HIBDRN CCOc1cccc(N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c1[N+](=O)[O-] ZINC000575846150 948741900 /nfs/dbraw/zinc/74/19/00/948741900.db2.gz NGMXUSBKTYXLPD-INIZCTEOSA-N 0 0 409.442 4.139 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4CCCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164420453 718905839 /nfs/dbraw/zinc/90/58/39/718905839.db2.gz JCCJSTQLLUQXBV-SJCJKPOMSA-N 0 0 424.835 4.255 20 5 HIBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CCC[C@]3(COc3ccccn3)C2)c1 ZINC001164795213 721505784 /nfs/dbraw/zinc/50/57/84/721505784.db2.gz HHSQAWSFLXOSFR-SCLBCKFNSA-N 0 0 424.835 4.269 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCn4cccc4C3)c(Cl)nn2)c1 ZINC001165051583 721992117 /nfs/dbraw/zinc/99/21/17/721992117.db2.gz JUQLNSWYUHBELD-UHFFFAOYSA-N 0 0 405.792 4.072 20 5 HIBDRN COc1cccc(C(=O)N(C)Cc2cc(Br)ccc2Cl)c1[N+](=O)[O-] ZINC000435983404 861254924 /nfs/dbraw/zinc/25/49/24/861254924.db2.gz QVHQRAFCAJPZHZ-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN CCn1cnnc1-c1ccccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435985402 861256513 /nfs/dbraw/zinc/25/65/13/861256513.db2.gz SNCNKXLKHOWIBU-UHFFFAOYSA-N 0 0 409.449 4.212 20 5 HIBDRN COc1cccc(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c1[N+](=O)[O-] ZINC000436005053 861291969 /nfs/dbraw/zinc/29/19/69/861291969.db2.gz GBMJVAOUSQZSPH-UHFFFAOYSA-N 0 0 409.423 4.403 20 5 HIBDRN COc1cccc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1[N+](=O)[O-] ZINC000436009028 861298818 /nfs/dbraw/zinc/29/88/18/861298818.db2.gz CGWAKALFXVOBFE-UHFFFAOYSA-N 0 0 408.798 4.167 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc(COc3ccccc3F)no2)c2ccccc12 ZINC000436020786 861314722 /nfs/dbraw/zinc/31/47/22/861314722.db2.gz GIJLKKXDBNTPMJ-UHFFFAOYSA-N 0 0 401.397 4.304 20 5 HIBDRN Cc1nc(-c2ccc(CCNC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2)cs1 ZINC000436034483 861326612 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845016139 /nfs/dbraw/zinc/01/61/39/845016139.db2.gz MNFACMCPIIDUPL-UHFFFAOYSA-N 0 0 403.605 4.351 20 5 HIBDRN COc1cccc(NC(=O)[C@H](OC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)c1 ZINC000003444073 845021803 /nfs/dbraw/zinc/02/18/03/845021803.db2.gz ARBSFIBTSBAVEJ-OAQYLSRUSA-N 0 0 420.421 4.449 20 5 HIBDRN COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2)c1 ZINC000003466983 845024168 /nfs/dbraw/zinc/02/41/68/845024168.db2.gz WGWBYHMUOMQHNE-NRFANRHFSA-N 0 0 420.421 4.449 20 5 HIBDRN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003485692 845027552 /nfs/dbraw/zinc/02/75/52/845027552.db2.gz PFIDBNXNKNUXAP-LLVKDONJSA-N 0 0 417.878 4.163 20 5 HIBDRN O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003495831 845029744 /nfs/dbraw/zinc/02/97/44/845029744.db2.gz IAZOHNKHOOQNRR-UHFFFAOYSA-N 0 0 419.875 4.236 20 5 HIBDRN C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003515782 845032474 /nfs/dbraw/zinc/03/24/74/845032474.db2.gz 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BXNJFSVONHEVSP-UHFFFAOYSA-N 0 0 421.409 4.117 20 5 HIBDRN CC(=O)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 ZINC000015359179 846040196 /nfs/dbraw/zinc/04/01/96/846040196.db2.gz OCRFKENUKZTPHJ-UHFFFAOYSA-N 0 0 403.437 4.294 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000015410950 846045482 /nfs/dbraw/zinc/04/54/82/846045482.db2.gz GONNPQCAKKMUGW-UHFFFAOYSA-N 0 0 403.847 4.140 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000015421952 846047129 /nfs/dbraw/zinc/04/71/29/846047129.db2.gz VVYIKPSRUFPIGV-UHFFFAOYSA-N 0 0 405.410 4.064 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000015548283 846062399 /nfs/dbraw/zinc/06/23/99/846062399.db2.gz KNEUUGIZJFREGZ-LJQANCHMSA-N 0 0 403.866 4.423 20 5 HIBDRN COc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000015589283 846068112 /nfs/dbraw/zinc/06/81/12/846068112.db2.gz VOSZCANRURNUGT-UHFFFAOYSA-N 0 0 416.377 4.362 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000015640479 846078013 /nfs/dbraw/zinc/07/80/13/846078013.db2.gz CJKBTNQEBKCKSQ-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000015649188 846080447 /nfs/dbraw/zinc/08/04/47/846080447.db2.gz QOXDGROKJANVCQ-UHFFFAOYSA-N 0 0 424.284 4.010 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000015655177 846081435 /nfs/dbraw/zinc/08/14/35/846081435.db2.gz GLKIFQKURBYSHI-PPGNKHEKSA-N 0 0 418.833 4.149 20 5 HIBDRN C[C@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000015655054 846081598 /nfs/dbraw/zinc/08/15/98/846081598.db2.gz BDTDUNRBKNYXGY-OBIHZWKSSA-N 0 0 408.332 4.197 20 5 HIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1OC(F)F ZINC000015798276 846092848 /nfs/dbraw/zinc/09/28/48/846092848.db2.gz XMCYKFVSSFJHCX-SECBINFHSA-N 0 0 414.748 4.034 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000015827920 846096960 /nfs/dbraw/zinc/09/69/60/846096960.db2.gz ADEWKEHZGDXJQO-GOSISDBHSA-N 0 0 402.472 4.068 20 5 HIBDRN Cc1c(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cccc1[N+](=O)[O-] ZINC000016014746 846112907 /nfs/dbraw/zinc/11/29/07/846112907.db2.gz JZEYXORONQXGIX-UHFFFAOYSA-N 0 0 412.833 4.411 20 5 HIBDRN COc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2C)cc([N+](=O)[O-])c1OC ZINC000436334777 861642160 /nfs/dbraw/zinc/64/21/60/861642160.db2.gz AMEMBNHGMFTSCH-CQSZACIVSA-N 0 0 412.364 4.344 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000016136516 846128765 /nfs/dbraw/zinc/12/87/65/846128765.db2.gz XXAIHCSMQPESRD-GOSISDBHSA-N 0 0 414.458 4.115 20 5 HIBDRN COc1cc(CCNC(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC ZINC000016143248 846129406 /nfs/dbraw/zinc/12/94/06/846129406.db2.gz LAYCMLGRPIUQID-UHFFFAOYSA-N 0 0 406.438 4.252 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000016144923 846129810 /nfs/dbraw/zinc/12/98/10/846129810.db2.gz YQMJGOJNBMRKBP-HXUWFJFHSA-N 0 0 421.453 4.198 20 5 HIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](OC(=O)c1ccoc1)c1ccccc1 ZINC000016157165 846131510 /nfs/dbraw/zinc/13/15/10/846131510.db2.gz OTRIEDZMUVFUNW-QGZVFWFLSA-N 0 0 400.774 4.378 20 5 HIBDRN C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000016210127 846138362 /nfs/dbraw/zinc/13/83/62/846138362.db2.gz LJHURWCQEDPFHH-QMMMGPOBSA-N 0 0 423.212 4.452 20 5 HIBDRN Cn1ccnc1[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000016261697 846143536 /nfs/dbraw/zinc/14/35/36/846143536.db2.gz AKPFSDWKAMOFNJ-MRXNPFEDSA-N 0 0 405.241 4.155 20 5 HIBDRN O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1-c1ccccc1 ZINC000016565497 846185589 /nfs/dbraw/zinc/18/55/89/846185589.db2.gz XGWMOCVAMSALDW-UHFFFAOYSA-N 0 0 416.481 4.023 20 5 HIBDRN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1Br ZINC000016562878 846185661 /nfs/dbraw/zinc/18/56/61/846185661.db2.gz ZDENBMAWGNSKJX-UHFFFAOYSA-N 0 0 412.671 4.081 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](OC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000016753464 846206019 /nfs/dbraw/zinc/20/60/19/846206019.db2.gz CQHQTNOWRSAFTH-QFIPXVFZSA-N 0 0 420.421 4.069 20 5 HIBDRN NC(=O)c1ccc(COc2ccc3cc(Br)ccc3c2)c([N+](=O)[O-])c1 ZINC000016749497 846206436 /nfs/dbraw/zinc/20/64/36/846206436.db2.gz GMKAOGIJMLIGIB-UHFFFAOYSA-N 0 0 401.216 4.188 20 5 HIBDRN NC(=O)c1ccc(COC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000016756027 846206889 /nfs/dbraw/zinc/20/68/89/846206889.db2.gz DLKIXPUCTDBDFZ-FQEVSTJZSA-N 0 0 422.462 4.271 20 5 HIBDRN Cc1ccc(-n2ccnc2SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c(C)c1 ZINC000016816480 846213335 /nfs/dbraw/zinc/21/33/35/846213335.db2.gz YQTQZKQIDIOGMU-UHFFFAOYSA-N 0 0 408.483 4.079 20 5 HIBDRN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017270033 846238185 /nfs/dbraw/zinc/23/81/85/846238185.db2.gz ZIALUZBNSLCOCW-NSHDSACASA-N 0 0 415.500 4.369 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000017302712 846242128 /nfs/dbraw/zinc/24/21/28/846242128.db2.gz XYJOWLJLLKBNJD-UHFFFAOYSA-N 0 0 410.352 4.013 20 5 HIBDRN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000017369635 846251624 /nfs/dbraw/zinc/25/16/24/846251624.db2.gz ZSRKMEPAAPCEQG-KRWDZBQOSA-N 0 0 401.375 4.223 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000017481726 846254526 /nfs/dbraw/zinc/25/45/26/846254526.db2.gz HNSRZVOGEJZYTC-UHFFFAOYSA-N 0 0 407.451 4.406 20 5 HIBDRN Cc1ccc([C@H](NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c2cccs2)cc1 ZINC000017483126 846254820 /nfs/dbraw/zinc/25/48/20/846254820.db2.gz UKINHUUEGQZMRC-FQEVSTJZSA-N 0 0 410.451 4.027 20 5 HIBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017483816 846255767 /nfs/dbraw/zinc/25/57/67/846255767.db2.gz CXKRQVLBEXAXOZ-VIFPVBQESA-N 0 0 418.749 4.124 20 5 HIBDRN Cc1ccc([C@H](NC(=O)COc2cc(F)ccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000017534149 846258922 /nfs/dbraw/zinc/25/89/22/846258922.db2.gz XWJFHPOMVBSBCM-FQEVSTJZSA-N 0 0 400.431 4.388 20 5 HIBDRN Cc1cc(OCC(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1Cl ZINC000017542292 846258990 /nfs/dbraw/zinc/25/89/90/846258990.db2.gz WALPDCPSVQEAQF-GFCCVEGCSA-N 0 0 417.805 4.290 20 5 HIBDRN Cc1ccc(-n2nnnc2S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 ZINC000017655464 846262316 /nfs/dbraw/zinc/26/23/16/846262316.db2.gz AMTPDOBSXQKYCM-CYBMUJFWSA-N 0 0 423.458 4.091 20 5 HIBDRN Cc1ccc(Cl)c(OCC(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000017659695 846262347 /nfs/dbraw/zinc/26/23/47/846262347.db2.gz FWRMAGGKNKPGFZ-LBPRGKRZSA-N 0 0 417.805 4.290 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000017828299 846270813 /nfs/dbraw/zinc/27/08/13/846270813.db2.gz NXBXOBCWMHJUDF-UHFFFAOYSA-N 0 0 411.439 4.131 20 5 HIBDRN COc1ccc(SCC(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000017899474 846274739 /nfs/dbraw/zinc/27/47/39/846274739.db2.gz SGXYCNDBLCLGRF-LBPRGKRZSA-N 0 0 415.427 4.050 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000017917650 846276784 /nfs/dbraw/zinc/27/67/84/846276784.db2.gz QJBPKUIGCOTOIO-UHFFFAOYSA-N 0 0 412.877 4.382 20 5 HIBDRN COc1ccc2cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000018019626 846285719 /nfs/dbraw/zinc/28/57/19/846285719.db2.gz UGBHCUFBFGEZLA-JQVXPOPVSA-N 0 0 420.421 4.340 20 5 HIBDRN CCNc1ccc(C(=O)OCC(=O)N[C@@H](C)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000018171579 846305653 /nfs/dbraw/zinc/30/56/53/846305653.db2.gz QYFMPYFFROTVCE-HNNXBMFYSA-N 0 0 421.453 4.214 20 5 HIBDRN O=C(c1ccccc1SCc1ccco1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000018185078 846307748 /nfs/dbraw/zinc/30/77/48/846307748.db2.gz ZWHXTCNRGCXSET-UHFFFAOYSA-N 0 0 423.494 4.443 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000018231019 846313549 /nfs/dbraw/zinc/31/35/49/846313549.db2.gz UBPVOWVBGPQQOE-UHFFFAOYSA-N 0 0 413.455 4.129 20 5 HIBDRN COc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2c1 ZINC000018441527 846326688 /nfs/dbraw/zinc/32/66/88/846326688.db2.gz ZUFJXWBMOYTBCI-HNNXBMFYSA-N 0 0 422.437 4.350 20 5 HIBDRN COc1ccc(Br)cc1-c1nc(COc2cccnc2[N+](=O)[O-])cs1 ZINC000018532868 846331665 /nfs/dbraw/zinc/33/16/65/846331665.db2.gz DMUUQQWFKJYNMP-UHFFFAOYSA-N 0 0 422.260 4.463 20 5 HIBDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1F ZINC000018611371 846334560 /nfs/dbraw/zinc/33/45/60/846334560.db2.gz LLLIQVXACFKQKO-JTQLQIEISA-N 0 0 414.311 4.245 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000018656369 846335375 /nfs/dbraw/zinc/33/53/75/846335375.db2.gz QFLONOLMKWGJGW-UHFFFAOYSA-N 0 0 414.361 4.311 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000018769732 846341523 /nfs/dbraw/zinc/34/15/23/846341523.db2.gz FXKMRNCUKPDZNP-UHFFFAOYSA-N 0 0 414.421 4.465 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000018807518 846343140 /nfs/dbraw/zinc/34/31/40/846343140.db2.gz XTKBMXWDEYCRSX-MRVPVSSYSA-N 0 0 401.177 4.225 20 5 HIBDRN CCCCCCn1nc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2c1=O ZINC000019164777 846354549 /nfs/dbraw/zinc/35/45/49/846354549.db2.gz GEGQGKMGJUJIHR-UHFFFAOYSA-N 0 0 408.458 4.446 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000019284830 846361306 /nfs/dbraw/zinc/36/13/06/846361306.db2.gz TZGZXYKXDCJZNN-UHFFFAOYSA-N 0 0 411.410 4.499 20 5 HIBDRN C[C@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000019617253 846368868 /nfs/dbraw/zinc/36/88/68/846368868.db2.gz DHKGJAHYMQBRRT-NSHDSACASA-N 0 0 415.402 4.041 20 5 HIBDRN C[C@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000019617237 846368895 /nfs/dbraw/zinc/36/88/95/846368895.db2.gz JSOFBPHHVPGMDV-NSHDSACASA-N 0 0 415.402 4.041 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3nc(C(C)(C)C)cs3)cc2)c(C)c1[N+](=O)[O-] ZINC000020006832 846373754 /nfs/dbraw/zinc/37/37/54/846373754.db2.gz SGQLVRDTTRICHM-UHFFFAOYSA-N 0 0 413.503 4.463 20 5 HIBDRN C[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020751823 846388975 /nfs/dbraw/zinc/38/89/75/846388975.db2.gz DJASZTWTVOLCNZ-SSDOTTSWSA-N 0 0 418.620 4.134 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000020889019 846392954 /nfs/dbraw/zinc/39/29/54/846392954.db2.gz XOMURWIHCHGZMQ-ZDUSSCGKSA-N 0 0 421.453 4.305 20 5 HIBDRN CC(C)COC[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccco1 ZINC000436351761 861673891 /nfs/dbraw/zinc/67/38/91/861673891.db2.gz KIPYAERKAWGFON-NRFANRHFSA-N 0 0 404.466 4.418 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000021188438 846415182 /nfs/dbraw/zinc/41/51/82/846415182.db2.gz NXXZERRTAAHRBB-IBGZPJMESA-N 0 0 402.859 4.316 20 5 HIBDRN C[C@H](OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000021225721 846418606 /nfs/dbraw/zinc/41/86/06/846418606.db2.gz MTBAVMPOFJILNC-INIZCTEOSA-N 0 0 404.422 4.296 20 5 HIBDRN C[C@H](OC(=O)c1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000021346242 846432908 /nfs/dbraw/zinc/43/29/08/846432908.db2.gz RLBMSIUSDUHFOB-QMMMGPOBSA-N 0 0 418.274 4.076 20 5 HIBDRN COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000021492212 846452895 /nfs/dbraw/zinc/45/28/95/846452895.db2.gz CRPXOLTXXNNMJN-LBPRGKRZSA-N 0 0 416.434 4.048 20 5 HIBDRN C[C@H](OC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021499760 846455255 /nfs/dbraw/zinc/45/52/55/846455255.db2.gz GIQCMTODHQESPS-NSHDSACASA-N 0 0 416.336 4.317 20 5 HIBDRN CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000021545510 846459119 /nfs/dbraw/zinc/45/91/19/846459119.db2.gz HFKKYTJMUWQHEN-LBPRGKRZSA-N 0 0 414.443 4.163 20 5 HIBDRN CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000021545784 846460526 /nfs/dbraw/zinc/46/05/26/846460526.db2.gz KPVJPBIWHZKHNO-GFCCVEGCSA-N 0 0 414.443 4.163 20 5 HIBDRN C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021548174 846460567 /nfs/dbraw/zinc/46/05/67/846460567.db2.gz PGTZAVSOMNBERT-SNVBAGLBSA-N 0 0 404.835 4.418 20 5 HIBDRN COc1cc2nc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)sc2cc1OC ZINC000021558282 846462648 /nfs/dbraw/zinc/46/26/48/846462648.db2.gz UVPGASSNZNNCSW-UHFFFAOYSA-N 0 0 405.457 4.196 20 5 HIBDRN Cc1ccc(-c2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n[nH]2)cc1 ZINC000021609657 846471571 /nfs/dbraw/zinc/47/15/71/846471571.db2.gz JWGUKGDGIZMIGB-UHFFFAOYSA-N 0 0 403.851 4.073 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000021610595 846471702 /nfs/dbraw/zinc/47/17/02/846471702.db2.gz UDPFJBWDWVGSBX-LBPRGKRZSA-N 0 0 408.863 4.219 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c1 ZINC000021615997 846471755 /nfs/dbraw/zinc/47/17/55/846471755.db2.gz YVQRPWKVOCEZLH-INIZCTEOSA-N 0 0 411.439 4.314 20 5 HIBDRN C[C@H](OC(=O)CSc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021682907 846482663 /nfs/dbraw/zinc/48/26/63/846482663.db2.gz YABSFZPREAVOPX-JTQLQIEISA-N 0 0 412.826 4.050 20 5 HIBDRN C[C@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021688636 846482773 /nfs/dbraw/zinc/48/27/73/846482773.db2.gz PMOKBLLUHMGWCH-JTQLQIEISA-N 0 0 403.851 4.153 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000021740917 846489893 /nfs/dbraw/zinc/48/98/93/846489893.db2.gz LNRVLGPNPXWAQI-STQMWFEESA-N 0 0 422.890 4.149 20 5 HIBDRN CC(=O)NCc1ccc(-c2csc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000021771085 846494615 /nfs/dbraw/zinc/49/46/15/846494615.db2.gz IGMOQMBTAGLPGJ-IZZDOVSWSA-N 0 0 422.466 4.006 20 5 HIBDRN COC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000021905761 846509707 /nfs/dbraw/zinc/50/97/07/846509707.db2.gz VHODBVFQPDLGDB-NRFANRHFSA-N 0 0 404.422 4.095 20 5 HIBDRN COc1ccc(OCc2csc(CC(=O)Nc3ccccc3C)n2)c([N+](=O)[O-])c1 ZINC000022044161 846524748 /nfs/dbraw/zinc/52/47/48/846524748.db2.gz HAZXODSZCXPLRF-UHFFFAOYSA-N 0 0 413.455 4.129 20 5 HIBDRN Cc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000022052233 846525475 /nfs/dbraw/zinc/52/54/75/846525475.db2.gz RATBBECRXDJLLG-HNNXBMFYSA-N 0 0 411.439 4.314 20 5 HIBDRN CC(C)NC(=O)c1ccc(NCCc2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000022136100 846534846 /nfs/dbraw/zinc/53/48/46/846534846.db2.gz BZJDFKJMIDFUIF-UHFFFAOYSA-N 0 0 412.309 4.212 20 5 HIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000022161437 846538805 /nfs/dbraw/zinc/53/88/05/846538805.db2.gz MDGGKJLUKGGISG-NSHDSACASA-N 0 0 408.863 4.463 20 5 HIBDRN CSCc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1 ZINC000022188332 846542754 /nfs/dbraw/zinc/54/27/54/846542754.db2.gz HSJNBSPXLNNTFZ-GOSISDBHSA-N 0 0 416.499 4.271 20 5 HIBDRN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000022243563 846548627 /nfs/dbraw/zinc/54/86/27/846548627.db2.gz QBLMDOOVJVVQIY-GFCCVEGCSA-N 0 0 417.849 4.315 20 5 HIBDRN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000022468523 846575449 /nfs/dbraw/zinc/57/54/49/846575449.db2.gz LZESZMKABJTQES-CQSZACIVSA-N 0 0 404.850 4.231 20 5 HIBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC[C@H]1c1cccs1 ZINC000022496463 846579401 /nfs/dbraw/zinc/57/94/01/846579401.db2.gz MWHLQGPSHPYVCS-NHYWBVRUSA-N 0 0 408.863 4.219 20 5 HIBDRN CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000022500719 846580475 /nfs/dbraw/zinc/58/04/75/846580475.db2.gz AIXSMFQJILVRDZ-QFIPXVFZSA-N 0 0 422.412 4.139 20 5 HIBDRN CSc1ccc(C(=O)OCC(=O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000022523443 846582203 /nfs/dbraw/zinc/58/22/03/846582203.db2.gz QOUZJUDBDKERJV-UHFFFAOYSA-N 0 0 410.245 4.119 20 5 HIBDRN CC[C@H](NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000022550520 846585394 /nfs/dbraw/zinc/58/53/94/846585394.db2.gz FAMHPQGECGJHMG-VRQAPCGNSA-N 0 0 402.834 4.072 20 5 HIBDRN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000022736341 846612781 /nfs/dbraw/zinc/61/27/81/846612781.db2.gz YCCHRWQGFBRYHW-ZDUSSCGKSA-N 0 0 410.382 4.036 20 5 HIBDRN CCCCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)s1 ZINC000022742412 846613742 /nfs/dbraw/zinc/61/37/42/846613742.db2.gz DTNXCONNYINZQK-UHFFFAOYSA-N 0 0 403.508 4.278 20 5 HIBDRN COc1cccc(CNC(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000023214141 846671097 /nfs/dbraw/zinc/67/10/97/846671097.db2.gz MRRORJMFUIJPHK-NSHDSACASA-N 0 0 403.485 4.010 20 5 HIBDRN COC(=O)c1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 ZINC000023380498 846691453 /nfs/dbraw/zinc/69/14/53/846691453.db2.gz CEHQGWIXKSKUTB-UHFFFAOYSA-N 0 0 420.425 4.176 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000023384593 846692151 /nfs/dbraw/zinc/69/21/51/846692151.db2.gz PIEVYEYGYVMCJN-QRWLVFNGSA-N 0 0 400.500 4.048 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000023384599 846692172 /nfs/dbraw/zinc/69/21/72/846692172.db2.gz PIEVYEYGYVMCJN-MGPUTAFESA-N 0 0 400.500 4.048 20 5 HIBDRN O=C(CSCc1cccc(Cl)c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000023635914 846732900 /nfs/dbraw/zinc/73/29/00/846732900.db2.gz ARFRPYAERDUTTL-UHFFFAOYSA-N 0 0 409.847 4.091 20 5 HIBDRN Cc1ccc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] ZINC000023920476 846758597 /nfs/dbraw/zinc/75/85/97/846758597.db2.gz LGEVYRIBISJYGI-OAHLLOKOSA-N 0 0 410.499 4.032 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)Cc2coc3cc4c(cc23)CCC4)cccc1[N+](=O)[O-] ZINC000023978229 846767175 /nfs/dbraw/zinc/76/71/75/846767175.db2.gz NYWZOWAPKHDEDS-CQSZACIVSA-N 0 0 422.437 4.251 20 5 HIBDRN CCN(CC)C(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000023989000 846769754 /nfs/dbraw/zinc/76/97/54/846769754.db2.gz BJIIXHZDCQYWSF-ZDUSSCGKSA-N 0 0 420.849 4.454 20 5 HIBDRN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000024034835 846777926 /nfs/dbraw/zinc/77/79/26/846777926.db2.gz GJFFOLRPMOWBLT-JOCHJYFZSA-N 0 0 417.421 4.446 20 5 HIBDRN COc1cccc(CNC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c1 ZINC000024040764 846779061 /nfs/dbraw/zinc/77/90/61/846779061.db2.gz VSGPOFBLZGELJF-UHFFFAOYSA-N 0 0 406.442 4.075 20 5 HIBDRN O=[N+]([O-])c1c(Sc2nnc(-c3ccccc3Br)o2)nc2sccn21 ZINC000024341842 846815441 /nfs/dbraw/zinc/81/54/41/846815441.db2.gz LSHRQPMQVYWYFA-UHFFFAOYSA-N 0 0 424.261 4.268 20 5 HIBDRN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024796947 846868068 /nfs/dbraw/zinc/86/80/68/846868068.db2.gz YQBLUACRGFURMZ-CQSZACIVSA-N 0 0 413.865 4.181 20 5 HIBDRN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2cccc(Cl)c2s1 ZINC000436383948 861727517 /nfs/dbraw/zinc/72/75/17/861727517.db2.gz FBNSLCUPXGLTHR-UHFFFAOYSA-N 0 0 413.846 4.320 20 5 HIBDRN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2sc3ccccc3c2Cl)C1=O ZINC000024883096 846882365 /nfs/dbraw/zinc/88/23/65/846882365.db2.gz SHMNBPBPXXKNMV-LJQANCHMSA-N 0 0 415.858 4.430 20 5 HIBDRN C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)C1 ZINC000024886760 846883289 /nfs/dbraw/zinc/88/32/89/846883289.db2.gz DCISMHXRZRPXHO-ZDUSSCGKSA-N 0 0 415.519 4.110 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1[N+](=O)[O-] ZINC000024913982 846888197 /nfs/dbraw/zinc/88/81/97/846888197.db2.gz XDLLXMGETHOBQO-UHFFFAOYSA-N 0 0 414.468 4.278 20 5 HIBDRN Cc1cccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C ZINC000024997450 846901812 /nfs/dbraw/zinc/90/18/12/846901812.db2.gz TWEBMROGVZPOJB-CABCVRRESA-N 0 0 402.472 4.263 20 5 HIBDRN CSc1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000024997468 846901850 /nfs/dbraw/zinc/90/18/50/846901850.db2.gz BLCVSVICJGLRIZ-CHWSQXEVSA-N 0 0 420.512 4.368 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000025007161 846903558 /nfs/dbraw/zinc/90/35/58/846903558.db2.gz XIEYFICUIQGYAI-UHFFFAOYSA-N 0 0 407.401 4.258 20 5 HIBDRN O=C(OCc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000025116916 846929835 /nfs/dbraw/zinc/92/98/35/846929835.db2.gz JSNKKAWGVMCCAE-UHFFFAOYSA-N 0 0 400.394 4.200 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000436391783 861735482 /nfs/dbraw/zinc/73/54/82/861735482.db2.gz QUNVQKYWCURJPE-QMMMGPOBSA-N 0 0 409.290 4.135 20 5 HIBDRN CCOc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000025387347 846971064 /nfs/dbraw/zinc/97/10/64/846971064.db2.gz SJCADPJIPAGCKR-CHWSQXEVSA-N 0 0 420.849 4.070 20 5 HIBDRN CCOc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000025387343 846971369 /nfs/dbraw/zinc/97/13/69/846971369.db2.gz SJCADPJIPAGCKR-OLZOCXBDSA-N 0 0 420.849 4.070 20 5 HIBDRN CC(C)C(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000025426418 846976897 /nfs/dbraw/zinc/97/68/97/846976897.db2.gz UHHJSLYVZFQZAL-LBPRGKRZSA-N 0 0 404.854 4.282 20 5 HIBDRN CCC(CC)c1nnc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 ZINC000025578670 847003704 /nfs/dbraw/zinc/00/37/04/847003704.db2.gz OGRZHOPJJNNFSV-UHFFFAOYSA-N 0 0 416.406 4.212 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000025615053 847006972 /nfs/dbraw/zinc/00/69/72/847006972.db2.gz KSDKVGZGIQTQHM-KBXCAEBGSA-N 0 0 416.499 4.456 20 5 HIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000025631458 847010485 /nfs/dbraw/zinc/01/04/85/847010485.db2.gz QFSMCYHLEYTJNT-UHFFFAOYSA-N 0 0 411.361 4.433 20 5 HIBDRN COc1cc(C(=O)N(C)c2nc3cccc(Cl)c3s2)c([N+](=O)[O-])cc1OC ZINC000436400329 861745814 /nfs/dbraw/zinc/74/58/14/861745814.db2.gz NJMQJGMHCXNOSP-UHFFFAOYSA-N 0 0 407.835 4.152 20 5 HIBDRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000025860480 847047517 /nfs/dbraw/zinc/04/75/17/847047517.db2.gz OZZXNPGPFGDIOM-UHFFFAOYSA-N 0 0 405.458 4.449 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000026225154 847106199 /nfs/dbraw/zinc/10/61/99/847106199.db2.gz XXOCIAAZTZDUTG-UHFFFAOYSA-N 0 0 402.501 4.474 20 5 HIBDRN COC(=O)c1ccc(OCc2c(C)nn(-c3ccccc3)c2Cl)c([N+](=O)[O-])c1 ZINC000026271142 847117730 /nfs/dbraw/zinc/11/77/30/847117730.db2.gz YXCYFSSYIXRDBB-UHFFFAOYSA-N 0 0 401.806 4.108 20 5 HIBDRN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000026345984 847129305 /nfs/dbraw/zinc/12/93/05/847129305.db2.gz RXKWZJUQXKWLAX-UHFFFAOYSA-N 0 0 401.772 4.338 20 5 HIBDRN CN(CCOc1ccccc1Cl)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000026350647 847131388 /nfs/dbraw/zinc/13/13/88/847131388.db2.gz ZDYQYKFBMARXPJ-UHFFFAOYSA-N 0 0 420.896 4.346 20 5 HIBDRN Cc1c2cccc(F)c2oc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000026359411 847133224 /nfs/dbraw/zinc/13/32/24/847133224.db2.gz OFEZAMIAZNHSRM-GFCCVEGCSA-N 0 0 400.362 4.281 20 5 HIBDRN O=C(CCSc1nnc(Nc2ccccc2F)s1)Nc1ccccc1[N+](=O)[O-] ZINC000026361745 847133530 /nfs/dbraw/zinc/13/35/30/847133530.db2.gz ZIZJMPCTIDBLRP-UHFFFAOYSA-N 0 0 419.463 4.450 20 5 HIBDRN CC(C)[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000026383439 847137758 /nfs/dbraw/zinc/13/77/58/847137758.db2.gz NHFZXRQQCMNTOA-VBKZILBWSA-N 0 0 416.499 4.360 20 5 HIBDRN CCOc1ccccc1-c1nnc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000026408628 847139714 /nfs/dbraw/zinc/13/97/14/847139714.db2.gz WGTGPUMXYYUHSX-UHFFFAOYSA-N 0 0 414.443 4.164 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H](Nc2ccccc2)C1 ZINC000436412259 861763182 /nfs/dbraw/zinc/76/31/82/861763182.db2.gz PKGJOOSNSYYGLL-MRXNPFEDSA-N 0 0 419.431 4.286 20 5 HIBDRN CCOc1cc(CN(C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000026454549 847153931 /nfs/dbraw/zinc/15/39/31/847153931.db2.gz UXSODVWLTHCJNK-CYBMUJFWSA-N 0 0 423.416 4.054 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000026495449 847158770 /nfs/dbraw/zinc/15/87/70/847158770.db2.gz RXSOUSQEHAXTGF-UHFFFAOYSA-N 0 0 419.699 4.350 20 5 HIBDRN O=C(NC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000026714127 847188533 /nfs/dbraw/zinc/18/85/33/847188533.db2.gz BVWDOVJWATWENO-UHFFFAOYSA-N 0 0 411.355 4.152 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Cl)cc1Cl ZINC000026765994 847194419 /nfs/dbraw/zinc/19/44/19/847194419.db2.gz OJLNMPYPCBJXHO-UHFFFAOYSA-N 0 0 410.213 4.228 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000026799671 847200059 /nfs/dbraw/zinc/20/00/59/847200059.db2.gz WNSVMLOAVYNJJA-UHFFFAOYSA-N 0 0 409.486 4.383 20 5 HIBDRN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000026808722 847200373 /nfs/dbraw/zinc/20/03/73/847200373.db2.gz VWOVRXJQNDHEOS-CQSZACIVSA-N 0 0 416.861 4.232 20 5 HIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000026878132 847213224 /nfs/dbraw/zinc/21/32/24/847213224.db2.gz DYLZAGWXVZXVER-UHFFFAOYSA-N 0 0 401.369 4.378 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)Nn3cnc4ccccc43)cc2[N+](=O)[O-])n1 ZINC000027037178 847238274 /nfs/dbraw/zinc/23/82/74/847238274.db2.gz MEROYTPLIBGDTD-UHFFFAOYSA-N 0 0 411.468 4.245 20 5 HIBDRN CCn1c(C)cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1C ZINC000027095250 847247835 /nfs/dbraw/zinc/24/78/35/847247835.db2.gz KTHQUXJLORMDKI-UHFFFAOYSA-N 0 0 424.423 4.014 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4nnco4)c3)cc2[N+](=O)[O-])C1 ZINC000027111948 847250701 /nfs/dbraw/zinc/25/07/01/847250701.db2.gz JYHNWVXAWBVNCK-GJZGRUSLSA-N 0 0 421.457 4.379 20 5 HIBDRN CCN(CC)C(=O)c1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000027468260 847308236 /nfs/dbraw/zinc/30/82/36/847308236.db2.gz GEEQIGAEKSCPJI-UHFFFAOYSA-N 0 0 411.483 4.222 20 5 HIBDRN COc1cc(C(=O)NC[C@@H](c2ccccc2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000027630308 847330285 /nfs/dbraw/zinc/33/02/85/847330285.db2.gz ZFLRXZQFUOEQHW-OAHLLOKOSA-N 0 0 408.401 4.374 20 5 HIBDRN COc1cccc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000027661213 847332305 /nfs/dbraw/zinc/33/23/05/847332305.db2.gz NONWIPDJAOGFIR-UHFFFAOYSA-N 0 0 401.469 4.458 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccccc1OCc1csc(C)n1 ZINC000028033235 847377107 /nfs/dbraw/zinc/37/71/07/847377107.db2.gz NXVABAHWURHUPU-UHFFFAOYSA-N 0 0 414.439 4.304 20 5 HIBDRN CCOc1ccc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000028192491 847394730 /nfs/dbraw/zinc/39/47/30/847394730.db2.gz SVFKIPQRYPBDDZ-UHFFFAOYSA-N 0 0 408.336 4.001 20 5 HIBDRN CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000028301146 847404123 /nfs/dbraw/zinc/40/41/23/847404123.db2.gz MOQYSECTPCMOBA-UHFFFAOYSA-N 0 0 415.254 4.419 20 5 HIBDRN O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000028301164 847404154 /nfs/dbraw/zinc/40/41/54/847404154.db2.gz VCDWRFLAPXJBAN-UHFFFAOYSA-N 0 0 417.632 4.279 20 5 HIBDRN Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000028302182 847405238 /nfs/dbraw/zinc/40/52/38/847405238.db2.gz LNSZAYXRRQHTNJ-UHFFFAOYSA-N 0 0 415.789 4.007 20 5 HIBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000028383622 847413694 /nfs/dbraw/zinc/41/36/94/847413694.db2.gz NXTWVMHYBYJYKB-ZDUSSCGKSA-N 0 0 423.450 4.308 20 5 HIBDRN O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000028382250 847413808 /nfs/dbraw/zinc/41/38/08/847413808.db2.gz QDZZHYRCMPZSJB-UHFFFAOYSA-N 0 0 419.875 4.236 20 5 HIBDRN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000028393208 847414928 /nfs/dbraw/zinc/41/49/28/847414928.db2.gz BHBQBYRHTVRMSL-UHFFFAOYSA-N 0 0 420.903 4.472 20 5 HIBDRN CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1 ZINC000028400805 847416129 /nfs/dbraw/zinc/41/61/29/847416129.db2.gz MGEZJSHELZJKSQ-NSHDSACASA-N 0 0 406.485 4.223 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)c1 ZINC000028400583 847416159 /nfs/dbraw/zinc/41/61/59/847416159.db2.gz KZTGOLOJALNUPW-NSHDSACASA-N 0 0 408.863 4.463 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000028411666 847417846 /nfs/dbraw/zinc/41/78/46/847417846.db2.gz JAHFSEPPRGRBAF-GFCCVEGCSA-N 0 0 410.348 4.035 20 5 HIBDRN Cc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1-c1ccccc1 ZINC000028606716 847435220 /nfs/dbraw/zinc/43/52/20/847435220.db2.gz IHNPLMIHLKGZOU-LLVKDONJSA-N 0 0 417.878 4.257 20 5 HIBDRN COc1ccc2cc(CN(C)Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccc2c1 ZINC000028730685 847453859 /nfs/dbraw/zinc/45/38/59/847453859.db2.gz NAHBCMPWWFVVSE-UHFFFAOYSA-N 0 0 404.426 4.439 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H](C)c3ccccn3)cc2[N+](=O)[O-])n1 ZINC000028779570 847459412 /nfs/dbraw/zinc/45/94/12/847459412.db2.gz PUHFFPYVGUGNSA-GFCCVEGCSA-N 0 0 400.485 4.397 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000028786044 847460554 /nfs/dbraw/zinc/46/05/54/847460554.db2.gz RUKDVUNPBFYTEE-UHFFFAOYSA-N 0 0 420.421 4.131 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000028807979 847463975 /nfs/dbraw/zinc/46/39/75/847463975.db2.gz FCMYPZBIMBMCOB-UHFFFAOYSA-N 0 0 410.666 4.246 20 5 HIBDRN Cc1ccc(C=Cc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n[nH]2)o1 ZINC000028889396 847472663 /nfs/dbraw/zinc/47/26/63/847472663.db2.gz BNNLCSSAIUDQNW-WTNCMQEWSA-N 0 0 413.459 4.212 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000436433124 861797476 /nfs/dbraw/zinc/79/74/76/861797476.db2.gz MVEOHAGJMGYKGF-AWEZNQCLSA-N 0 0 420.421 4.491 20 5 HIBDRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000029030075 847495821 /nfs/dbraw/zinc/49/58/21/847495821.db2.gz GKHJEEIGELBNEO-SFHVURJKSA-N 0 0 404.850 4.323 20 5 HIBDRN COc1ccc([C@@H](C)N(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 ZINC000029105880 847507177 /nfs/dbraw/zinc/50/71/77/847507177.db2.gz TXZNAUKAJVXGNC-MRXNPFEDSA-N 0 0 422.485 4.298 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CCO1 ZINC000029153335 847515587 /nfs/dbraw/zinc/51/55/87/847515587.db2.gz MGQHKAPXRPGHQK-HNNXBMFYSA-N 0 0 420.849 4.300 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nc3ccccc3s2)c(S(=O)(=O)N2CCCC2)c1 ZINC000029161693 847516809 /nfs/dbraw/zinc/51/68/09/847516809.db2.gz TTYPOXPTWIFNCU-UHFFFAOYSA-N 0 0 421.525 4.140 20 5 HIBDRN COc1ccc(Nc2nnc(Sc3nc4sccn4c3[N+](=O)[O-])s2)cc1 ZINC000029164929 847518516 /nfs/dbraw/zinc/51/85/16/847518516.db2.gz HQBNYBIMHSFKPS-UHFFFAOYSA-N 0 0 406.474 4.059 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)[C@H]3CCc4ccccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000029209402 847523990 /nfs/dbraw/zinc/52/39/90/847523990.db2.gz MVIGPNJGOKQPCY-NRFANRHFSA-N 0 0 404.470 4.216 20 5 HIBDRN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000029363524 847551897 /nfs/dbraw/zinc/55/18/97/847551897.db2.gz UXDFVGKGQYLEMT-HNNXBMFYSA-N 0 0 419.934 4.246 20 5 HIBDRN C[C@H](c1ccccc1Cl)N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000029363523 847551972 /nfs/dbraw/zinc/55/19/72/847551972.db2.gz UXDFVGKGQYLEMT-OAHLLOKOSA-N 0 0 419.934 4.246 20 5 HIBDRN CC(=O)c1ccc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)s1 ZINC000029478155 847568429 /nfs/dbraw/zinc/56/84/29/847568429.db2.gz WJBZVDIZXBOXQE-UHFFFAOYSA-N 0 0 410.407 4.330 20 5 HIBDRN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2ccc(Cl)cc2s1 ZINC000436451624 861808751 /nfs/dbraw/zinc/80/87/51/861808751.db2.gz AQHJEVNDEYGXPE-UHFFFAOYSA-N 0 0 413.846 4.320 20 5 HIBDRN COC[C@@H](C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000029602748 847586991 /nfs/dbraw/zinc/58/69/91/847586991.db2.gz WMWKMDRJLUUFRG-VQCBNXJZSA-N 0 0 411.483 4.286 20 5 HIBDRN Cc1nn(CCC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000436448307 861806882 /nfs/dbraw/zinc/80/68/82/861806882.db2.gz CLZKPDZSNYTJIY-HNNXBMFYSA-N 0 0 422.766 4.011 20 5 HIBDRN O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccc([N+](=O)[O-])cc1 ZINC000029706171 847604534 /nfs/dbraw/zinc/60/45/34/847604534.db2.gz MURLPERLIKRMOG-UHFFFAOYSA-N 0 0 411.849 4.485 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000029795453 847621304 /nfs/dbraw/zinc/62/13/04/847621304.db2.gz JVMYUZTZSKMOSB-LLVKDONJSA-N 0 0 400.378 4.290 20 5 HIBDRN Cc1ccc(Cc2cnc(NC(=O)COc3cccc([N+](=O)[O-])c3)s2)cc1F ZINC000029879229 847640032 /nfs/dbraw/zinc/64/00/32/847640032.db2.gz SMLBSRUXZIWUTL-UHFFFAOYSA-N 0 0 401.419 4.107 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000436464800 861813714 /nfs/dbraw/zinc/81/37/14/861813714.db2.gz GLZYZKKGWFDIJN-AWEZNQCLSA-N 0 0 406.719 4.429 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000436464801 861814011 /nfs/dbraw/zinc/81/40/11/861814011.db2.gz GLZYZKKGWFDIJN-CQSZACIVSA-N 0 0 406.719 4.429 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3nc4ccccc4[nH]3)cc2[N+](=O)[O-])C1 ZINC000030658044 847754473 /nfs/dbraw/zinc/75/44/73/847754473.db2.gz REGQEESRQOQLFM-IYBDPMFKSA-N 0 0 421.501 4.226 20 5 HIBDRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000030777492 847774512 /nfs/dbraw/zinc/77/45/12/847774512.db2.gz NZRKOSQVLIKEIR-SECBINFHSA-N 0 0 412.204 4.032 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](NCc1ccccc1)C(F)(F)F ZINC000436507354 861829587 /nfs/dbraw/zinc/82/95/87/861829587.db2.gz FIZQWLWIBAQBOR-QGZVFWFLSA-N 0 0 410.396 4.054 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1 ZINC000031207286 847843590 /nfs/dbraw/zinc/84/35/90/847843590.db2.gz RIQMBLYTKJMGGT-LBPRGKRZSA-N 0 0 415.247 4.034 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000031255246 847851369 /nfs/dbraw/zinc/85/13/69/847851369.db2.gz ONXULOOZDKYPCR-UHFFFAOYSA-N 0 0 401.444 4.420 20 5 HIBDRN CC(C)(C)c1nc2cc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)ccc2o1 ZINC000031378579 847870595 /nfs/dbraw/zinc/87/05/95/847870595.db2.gz FHQCNSITSJJZEQ-UHFFFAOYSA-N 0 0 405.414 4.472 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1OCC ZINC000031413994 847880723 /nfs/dbraw/zinc/88/07/23/847880723.db2.gz ZXJBIPGYIWWCQP-HNNXBMFYSA-N 0 0 424.457 4.069 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)ccc1OC(C)C ZINC000031516050 847898977 /nfs/dbraw/zinc/89/89/77/847898977.db2.gz DJRGKZBEHLKDSG-AWEZNQCLSA-N 0 0 413.474 4.456 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2)cs1 ZINC000031585804 847912362 /nfs/dbraw/zinc/91/23/62/847912362.db2.gz SUUJRFBPGCYIFK-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN Cc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000031678416 847927317 /nfs/dbraw/zinc/92/73/17/847927317.db2.gz CVSCTEGWRAPWRT-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)c2)cs1 ZINC000032043182 847981148 /nfs/dbraw/zinc/98/11/48/847981148.db2.gz STSFTIQNOPHJIF-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1OCC ZINC000032243573 847993689 /nfs/dbraw/zinc/99/36/89/847993689.db2.gz MCMNGQKJDYMIGK-HNNXBMFYSA-N 0 0 424.457 4.069 20 5 HIBDRN COc1ccc(OCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c([N+](=O)[O-])c1 ZINC000032325762 848005108 /nfs/dbraw/zinc/00/51/08/848005108.db2.gz WSNRYQSKSNRCKN-UHFFFAOYSA-N 0 0 413.451 4.324 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(Cn2cccn2)c1 ZINC000032469136 848033847 /nfs/dbraw/zinc/03/38/47/848033847.db2.gz AOYYXAAOLJENBF-UHFFFAOYSA-N 0 0 408.461 4.038 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Br)cc1Cl ZINC000032587821 848050234 /nfs/dbraw/zinc/05/02/34/848050234.db2.gz XXFLFCIZJAJCFY-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000032856741 848084314 /nfs/dbraw/zinc/08/43/14/848084314.db2.gz KSBCGJOXHXUVPS-UHFFFAOYSA-N 0 0 403.847 4.313 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccco1)Cc1ccccc1 ZINC000033002542 848099526 /nfs/dbraw/zinc/09/95/26/848099526.db2.gz NTHKHWFGMLSVDX-UHFFFAOYSA-N 0 0 402.410 4.216 20 5 HIBDRN Cc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000033096401 848107797 /nfs/dbraw/zinc/10/77/97/848107797.db2.gz JWDBYTJFADCQSX-INIZCTEOSA-N 0 0 422.268 4.453 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1[N+](=O)[O-] ZINC000436613222 861869994 /nfs/dbraw/zinc/86/99/94/861869994.db2.gz SWZOHAYVVCDUMP-IBGZPJMESA-N 0 0 419.437 4.005 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000035605408 848144762 /nfs/dbraw/zinc/14/47/62/848144762.db2.gz UXEATQFTFCCNNY-VIFPVBQESA-N 0 0 413.213 4.094 20 5 HIBDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c12 ZINC000036644611 848152120 /nfs/dbraw/zinc/15/21/20/848152120.db2.gz NGIKDELQOJGVCJ-UHFFFAOYSA-N 0 0 401.426 4.413 20 5 HIBDRN CNC(=O)c1cccc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1 ZINC000036844594 848168330 /nfs/dbraw/zinc/16/83/30/848168330.db2.gz MLWLJSORERVDLX-UHFFFAOYSA-N 0 0 401.488 4.345 20 5 HIBDRN O=C(Nc1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])ccc1I ZINC000037991957 848175683 /nfs/dbraw/zinc/17/56/83/848175683.db2.gz CYGOBLJTGIPFIZ-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1ccc(C(F)(F)F)cn1 ZINC000041904115 848265070 /nfs/dbraw/zinc/26/50/70/848265070.db2.gz WUWUBQRHSPPBNE-UHFFFAOYSA-N 0 0 401.366 4.138 20 5 HIBDRN Cc1c(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000042153887 848294618 /nfs/dbraw/zinc/29/46/18/848294618.db2.gz WPHAWIRQOOEOFT-UHFFFAOYSA-N 0 0 418.478 4.349 20 5 HIBDRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000042918044 848365532 /nfs/dbraw/zinc/36/55/32/848365532.db2.gz YSUOJOBTUBABHW-YGRLFVJLSA-N 0 0 405.357 4.043 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)cc1[N+](=O)[O-] ZINC000043088900 848382784 /nfs/dbraw/zinc/38/27/84/848382784.db2.gz GYPGOUFEWJTXAW-QGZVFWFLSA-N 0 0 415.515 4.229 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCc2cc(F)cc(F)c21 ZINC000043267950 848400974 /nfs/dbraw/zinc/40/09/74/848400974.db2.gz HVRVYOMBYKYFOH-UHFFFAOYSA-N 0 0 401.413 4.069 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000043342114 848411170 /nfs/dbraw/zinc/41/11/70/848411170.db2.gz HKPJHUILMLTOHQ-NSHDSACASA-N 0 0 402.838 4.479 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC(F)F ZINC000043342218 848411605 /nfs/dbraw/zinc/41/16/05/848411605.db2.gz YDWOSWSJQDZPJK-UHFFFAOYSA-N 0 0 401.753 4.180 20 5 HIBDRN Cc1c(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cccc1[N+](=O)[O-] ZINC000043346867 848412776 /nfs/dbraw/zinc/41/27/76/848412776.db2.gz KPPDBUOIUBCKSG-UHFFFAOYSA-N 0 0 408.380 4.276 20 5 HIBDRN CCCOc1cc(NC(=O)N(C)Cc2ccncc2)c([N+](=O)[O-])cc1OCCC ZINC000043878475 848485845 /nfs/dbraw/zinc/48/58/45/848485845.db2.gz BYLRZXIAYWYHDH-UHFFFAOYSA-N 0 0 402.451 4.231 20 5 HIBDRN CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000044051184 848507351 /nfs/dbraw/zinc/50/73/51/848507351.db2.gz GHQXGLPVFGNPLZ-CYBMUJFWSA-N 0 0 414.437 4.181 20 5 HIBDRN Cc1cccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C(=O)N1CCCC1 ZINC000044537701 848566661 /nfs/dbraw/zinc/56/66/61/848566661.db2.gz GFIZXTRMFLLSNL-OAHLLOKOSA-N 0 0 413.499 4.259 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2nc(-c3ccco3)cs2)cc1[N+](=O)[O-] ZINC000044542960 848568250 /nfs/dbraw/zinc/56/82/50/848568250.db2.gz WJNIMCACULJHIG-UHFFFAOYSA-N 0 0 405.457 4.192 20 5 HIBDRN CCCC(=O)Nc1ccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000044596497 848576873 /nfs/dbraw/zinc/57/68/73/848576873.db2.gz SECQBDWVMZGCGR-CQSZACIVSA-N 0 0 401.488 4.130 20 5 HIBDRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000044622448 848579523 /nfs/dbraw/zinc/57/95/23/848579523.db2.gz IELFVOKRFIOBSK-LBPRGKRZSA-N 0 0 404.492 4.329 20 5 HIBDRN CCCC(=O)Nc1cccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000044663698 848590810 /nfs/dbraw/zinc/59/08/10/848590810.db2.gz JIBDBJIYSLMZIY-AWEZNQCLSA-N 0 0 401.488 4.130 20 5 HIBDRN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000044758172 848598258 /nfs/dbraw/zinc/59/82/58/848598258.db2.gz JDPTWZGQORYICT-UHFFFAOYSA-N 0 0 405.410 4.173 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c([N+](=O)[O-])cc1OC ZINC000044799670 848604849 /nfs/dbraw/zinc/60/48/49/848604849.db2.gz GOWDEEMWNIBQGG-UHFFFAOYSA-N 0 0 409.398 4.360 20 5 HIBDRN CN(Cc1cccc2ccccc21)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000045187352 848644530 /nfs/dbraw/zinc/64/45/30/848644530.db2.gz BVBMTMLLCOORQT-UHFFFAOYSA-N 0 0 419.437 4.095 20 5 HIBDRN COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)c2c[nH]c3ccccc32)cc1 ZINC000045332756 848666131 /nfs/dbraw/zinc/66/61/31/848666131.db2.gz SFXMJSZDQOQUBC-KRWDZBQOSA-N 0 0 405.410 4.240 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC(CCc3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] ZINC000045344259 848667910 /nfs/dbraw/zinc/66/79/10/848667910.db2.gz FIYMWNTVNDLTFE-UHFFFAOYSA-N 0 0 412.486 4.487 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2nc3ccc(C)cc3s2)cc1[N+](=O)[O-] ZINC000045713274 848716226 /nfs/dbraw/zinc/71/62/26/848716226.db2.gz JDDDDRPRKYDWGX-UHFFFAOYSA-N 0 0 403.485 4.393 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C ZINC000045766553 848724550 /nfs/dbraw/zinc/72/45/50/848724550.db2.gz TZZPFORAHJUBQI-UHFFFAOYSA-N 0 0 423.454 4.174 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000045939785 848756144 /nfs/dbraw/zinc/75/61/44/848756144.db2.gz VKPMHDLCSQHIJL-HUUCEWRRSA-N 0 0 415.515 4.376 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000045991577 848767884 /nfs/dbraw/zinc/76/78/84/848767884.db2.gz VCGRMHFPFDNELP-UHFFFAOYSA-N 0 0 410.405 4.263 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000046194565 848800598 /nfs/dbraw/zinc/80/05/98/848800598.db2.gz WLWZBWFWQHPIRN-QGZVFWFLSA-N 0 0 404.463 4.339 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000046212351 848804905 /nfs/dbraw/zinc/80/49/05/848804905.db2.gz YKHWGRDTVJJSAI-GFCCVEGCSA-N 0 0 410.442 4.334 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1[N+](=O)[O-] ZINC000046221173 848805373 /nfs/dbraw/zinc/80/53/73/848805373.db2.gz VXEUHPJMXKENFT-UHFFFAOYSA-N 0 0 417.487 4.070 20 5 HIBDRN Cc1cc([C@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)s1 ZINC000046241232 848809958 /nfs/dbraw/zinc/80/99/58/848809958.db2.gz OTZPEAJKZFKDAD-NSHDSACASA-N 0 0 417.516 4.044 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)ccc1[N+](=O)[O-] ZINC000046265876 848813846 /nfs/dbraw/zinc/81/38/46/848813846.db2.gz SZYOENFMYTWTBJ-UHFFFAOYSA-N 0 0 414.414 4.127 20 5 HIBDRN C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000046342073 848826609 /nfs/dbraw/zinc/82/66/09/848826609.db2.gz VHPVPTSWJNVYOY-ZIAGYGMSSA-N 0 0 403.866 4.110 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000046361894 848833030 /nfs/dbraw/zinc/83/30/30/848833030.db2.gz NWSDBRJEEYSDPY-UHFFFAOYSA-N 0 0 406.211 4.250 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000046506964 848862833 /nfs/dbraw/zinc/86/28/33/848862833.db2.gz VAIMWILSJBDMNP-KBXCAEBGSA-N 0 0 402.472 4.272 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000046583438 848879195 /nfs/dbraw/zinc/87/91/95/848879195.db2.gz IAIIXQATFZVFHW-UHFFFAOYSA-N 0 0 423.391 4.225 20 5 HIBDRN CCOc1cc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])ccc1OC(F)F ZINC000046610847 848885268 /nfs/dbraw/zinc/88/52/68/848885268.db2.gz NDCXQPWBQBRZSV-UHFFFAOYSA-N 0 0 412.414 4.247 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2csc([N+](=O)[O-])c2)ccc1OCc1ccncc1 ZINC000046673535 848906018 /nfs/dbraw/zinc/90/60/18/848906018.db2.gz KFFZYROVRVSLJY-ZDUSSCGKSA-N 0 0 413.455 4.130 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OC)c1OC ZINC000046677465 848907786 /nfs/dbraw/zinc/90/77/86/848907786.db2.gz PRAHRDBGMKXDEP-NSHDSACASA-N 0 0 416.455 4.326 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(-c2cc[nH]n2)c1 ZINC000046706663 848914839 /nfs/dbraw/zinc/91/48/39/848914839.db2.gz OPAHOKGNMWLNRU-UHFFFAOYSA-N 0 0 419.363 4.444 20 5 HIBDRN COc1cc([C@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000046709252 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20 5 HIBDRN CC(C)Oc1ccccc1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000055957732 850216145 /nfs/dbraw/zinc/21/61/45/850216145.db2.gz PPSIILZUJCWZND-UHFFFAOYSA-N 0 0 412.364 4.253 20 5 HIBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000055955524 850216462 /nfs/dbraw/zinc/21/64/62/850216462.db2.gz KOIJDKBJHPRCPN-UHFFFAOYSA-N 0 0 415.449 4.095 20 5 HIBDRN CC[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000055964113 850217700 /nfs/dbraw/zinc/21/77/00/850217700.db2.gz XMDSBIWTZBJPKU-CXAGYDPISA-N 0 0 402.472 4.114 20 5 HIBDRN C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055985025 850222001 /nfs/dbraw/zinc/22/20/01/850222001.db2.gz VVOFYFFTTHBYQR-JTQLQIEISA-N 0 0 411.892 4.240 20 5 HIBDRN O=C(Nc1ccccc1COc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000056002689 850229639 /nfs/dbraw/zinc/22/96/39/850229639.db2.gz ZFJWLNLEOJNMQW-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2ccc3nccnc3c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000056077246 850238216 /nfs/dbraw/zinc/23/82/16/850238216.db2.gz TYYQNIFPBKQRPV-AWEZNQCLSA-N 0 0 414.425 4.358 20 5 HIBDRN Cc1sc2ncnc(SCCC(=O)NCc3ccc([N+](=O)[O-])cc3)c2c1C ZINC000056101555 850245081 /nfs/dbraw/zinc/24/50/81/850245081.db2.gz VVDGAYCCXJRCIR-UHFFFAOYSA-N 0 0 402.501 4.015 20 5 HIBDRN COc1cc(Br)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000056167045 850267001 /nfs/dbraw/zinc/26/70/01/850267001.db2.gz KABHGYOYZOLRMT-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000056250885 850298048 /nfs/dbraw/zinc/29/80/48/850298048.db2.gz BWLPLPLTSNHLNO-UHFFFAOYSA-N 0 0 408.376 4.092 20 5 HIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000056268937 850304495 /nfs/dbraw/zinc/30/44/95/850304495.db2.gz FQIOQDIDQFJSJS-UHFFFAOYSA-N 0 0 417.469 4.459 20 5 HIBDRN COc1c(Cl)cccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000056286307 850312472 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NFTMHECJXFSIFN-UHFFFAOYSA-N 0 0 404.348 4.384 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(-n2cccn2)cc1 ZINC000437008166 862182165 /nfs/dbraw/zinc/18/21/65/862182165.db2.gz NVKRVJXASFOYLJ-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c([N+](=O)[O-])cc1OC ZINC000058771350 850920152 /nfs/dbraw/zinc/92/01/52/850920152.db2.gz MZXNATBBBXCPMY-OAHLLOKOSA-N 0 0 422.384 4.021 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(-n2cccn2)c1 ZINC000437009373 862184434 /nfs/dbraw/zinc/18/44/34/862184434.db2.gz HIESFHAZJCJMMP-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000437009788 862186441 /nfs/dbraw/zinc/18/64/41/862186441.db2.gz LXRPVEHPUNJKON-GOSISDBHSA-N 0 0 420.506 4.359 20 5 HIBDRN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000437011537 862188166 /nfs/dbraw/zinc/18/81/66/862188166.db2.gz WMAAFROPALWUHR-KRWDZBQOSA-N 0 0 409.255 4.494 20 5 HIBDRN 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/nfs/dbraw/zinc/63/68/09/853636809.db2.gz QDDOJJQPSNVZBR-SFHVURJKSA-N 0 0 404.879 4.111 20 5 HIBDRN O=C(Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1Br ZINC000159028078 853644871 /nfs/dbraw/zinc/64/48/71/853644871.db2.gz QILIEHQETRMCLC-UHFFFAOYSA-N 0 0 400.026 4.372 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000164574677 853649106 /nfs/dbraw/zinc/64/91/06/853649106.db2.gz KBWNRQXRFFIZQB-HSZRJFAPSA-N 0 0 404.470 4.139 20 5 HIBDRN COCCc1nc2cc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc2o1 ZINC000437262545 862495693 /nfs/dbraw/zinc/49/56/93/862495693.db2.gz KTIRZGHKOGVRMN-UHFFFAOYSA-N 0 0 409.320 4.196 20 5 HIBDRN COc1ccc(Cl)cc1CN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000195665065 853746539 /nfs/dbraw/zinc/74/65/39/853746539.db2.gz IAJURULVXLPYIA-UHFFFAOYSA-N 0 0 412.877 4.127 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000195669307 853748575 /nfs/dbraw/zinc/74/85/75/853748575.db2.gz USKBXZCJTODBHO-AWEZNQCLSA-N 0 0 401.271 4.427 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H](C)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000195677500 853753078 /nfs/dbraw/zinc/75/30/78/853753078.db2.gz OAYIGTPWLKCHCD-GFCCVEGCSA-N 0 0 407.264 4.117 20 5 HIBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000195684338 853756884 /nfs/dbraw/zinc/75/68/84/853756884.db2.gz IVZYUUKDJHXIIM-UHFFFAOYSA-N 0 0 421.453 4.154 20 5 HIBDRN Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cc2)cc([N+](=O)[O-])c1 ZINC000195692821 853761772 /nfs/dbraw/zinc/76/17/72/853761772.db2.gz GBPKLLYXHWNRQY-SFHVURJKSA-N 0 0 419.275 4.492 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000195711371 853773859 /nfs/dbraw/zinc/77/38/59/853773859.db2.gz YPSLSAOGAIWSOI-UHFFFAOYSA-N 0 0 401.806 4.150 20 5 HIBDRN Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)c2ccc(Br)cc2n1 ZINC000195716027 853775814 /nfs/dbraw/zinc/77/58/14/853775814.db2.gz LVUVDRZNQICPHO-UHFFFAOYSA-N 0 0 400.232 4.144 20 5 HIBDRN CSc1ccc(C(=O)NC2(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] ZINC000195722437 853778708 /nfs/dbraw/zinc/77/87/08/853778708.db2.gz QKLJZHAIMLGCGI-UHFFFAOYSA-N 0 0 407.289 4.498 20 5 HIBDRN COc1ccc2cc(/C=C\C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000205598670 853796553 /nfs/dbraw/zinc/79/65/53/853796553.db2.gz FABBIPZROPLWAS-VPRWNFCTSA-N 0 0 420.421 4.340 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](OC(=O)/C=C\c2ccco2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000206692066 853799981 /nfs/dbraw/zinc/79/99/81/853799981.db2.gz TVLIFFFRWMZHTJ-JQZHBYGZSA-N 0 0 406.394 4.433 20 5 HIBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000211538866 853816444 /nfs/dbraw/zinc/81/64/44/853816444.db2.gz MHYPMLYOQCNVAT-NVNXTCNLSA-N 0 0 402.406 4.457 20 5 HIBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000211540827 853816729 /nfs/dbraw/zinc/81/67/29/853816729.db2.gz CJZCOAXNWZLJRF-QINSGFPZSA-N 0 0 416.433 4.381 20 5 HIBDRN C[C@H](NC(=O)COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000212300096 853819870 /nfs/dbraw/zinc/81/98/70/853819870.db2.gz ZODCZCCHPGVLCG-REPPVQDKSA-N 0 0 423.252 4.335 20 5 HIBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000213585345 853826432 /nfs/dbraw/zinc/82/64/32/853826432.db2.gz XVUGWVNUWJZMKR-MLPAPPSSSA-N 0 0 419.412 4.316 20 5 HIBDRN CCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(F)cc1 ZINC000216422732 853852547 /nfs/dbraw/zinc/85/25/47/853852547.db2.gz VDUKLZLGQVLBSK-LBPRGKRZSA-N 0 0 415.450 4.132 20 5 HIBDRN CCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1 ZINC000216419630 853852583 /nfs/dbraw/zinc/85/25/83/853852583.db2.gz WYXQNNWXSCDFAG-AWEZNQCLSA-N 0 0 411.487 4.301 20 5 HIBDRN Cc1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1C1CCCCC1 ZINC000217234920 853861286 /nfs/dbraw/zinc/86/12/86/853861286.db2.gz RVDNTXHOPPWWDH-KRWDZBQOSA-N 0 0 411.506 4.240 20 5 HIBDRN CN1C(=O)CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000217207265 853861488 /nfs/dbraw/zinc/86/14/88/853861488.db2.gz LAHVVLAEPPXIHB-AEFFLSMTSA-N 0 0 421.375 4.162 20 5 HIBDRN COc1cc2nc(C(Cl)=Cc3ccc(Cl)c([N+](=O)[O-])c3)[nH]c(=O)c2cc1OC ZINC000229902206 853893461 /nfs/dbraw/zinc/89/34/61/853893461.db2.gz PROQVZGLMDMKQY-LFYBBSHMSA-N 0 0 422.224 4.239 20 5 HIBDRN Cc1ccc(CN[C@@H](C)c2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] ZINC000237591590 854059290 /nfs/dbraw/zinc/05/92/90/854059290.db2.gz KZSGBKUPIXQDBV-LBPRGKRZSA-N 0 0 407.264 4.288 20 5 HIBDRN Cc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237894215 854115897 /nfs/dbraw/zinc/11/58/97/854115897.db2.gz OHBQEHNRNRLPRL-JOCHJYFZSA-N 0 0 410.495 4.186 20 5 HIBDRN O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000247299282 854156724 /nfs/dbraw/zinc/15/67/24/854156724.db2.gz DSSXNGVDWYEXDD-UHFFFAOYSA-N 0 0 402.410 4.162 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000247845799 854162890 /nfs/dbraw/zinc/16/28/90/854162890.db2.gz SGZLOKCIYPMHRD-UHFFFAOYSA-N 0 0 407.474 4.148 20 5 HIBDRN CC(C)c1ccc([C@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C(C)C)cc1 ZINC000248136764 854181888 /nfs/dbraw/zinc/18/18/88/854181888.db2.gz AIAZTIXCQPHMMD-OAQYLSRUSA-N 0 0 411.458 4.140 20 5 HIBDRN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000248247608 854186703 /nfs/dbraw/zinc/18/67/03/854186703.db2.gz KFNNNLQEAMUEQC-ZDUSSCGKSA-N 0 0 424.844 4.387 20 5 HIBDRN COc1cc(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cc(OC)c1 ZINC000261373580 854238240 /nfs/dbraw/zinc/23/82/40/854238240.db2.gz INXGNPDJBWJZGY-UHFFFAOYSA-N 0 0 416.449 4.236 20 5 HIBDRN CSc1nc(C)c(CCC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c(=O)[nH]1 ZINC000261394363 854246557 /nfs/dbraw/zinc/24/65/57/854246557.db2.gz IJYZGIHHRJYQAP-UHFFFAOYSA-N 0 0 416.503 4.029 20 5 HIBDRN Cc1c(CO)cc([N+](=O)[O-])c(NCc2csc(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000301057598 854282771 /nfs/dbraw/zinc/28/27/71/854282771.db2.gz BNYZYBWHAFYFLO-UHFFFAOYSA-N 0 0 400.416 4.039 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC2)c1 ZINC000301060104 854283632 /nfs/dbraw/zinc/28/36/32/854283632.db2.gz BHRGZFPUPJGYLP-UHFFFAOYSA-N 0 0 409.486 4.152 20 5 HIBDRN O=C(c1cc(N2CCC(Cc3cccc(F)c3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301064362 854284711 /nfs/dbraw/zinc/28/47/11/854284711.db2.gz AUVQTUNOWKQXNC-UHFFFAOYSA-N 0 0 411.477 4.429 20 5 HIBDRN COc1cc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc(Br)c1OC ZINC000301081678 854290714 /nfs/dbraw/zinc/29/07/14/854290714.db2.gz DJMMOLFDXASCLO-UHFFFAOYSA-N 0 0 409.236 4.189 20 5 HIBDRN O=C(NC1CC1)c1ccc(N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 ZINC000301096350 854295046 /nfs/dbraw/zinc/29/50/46/854295046.db2.gz PMBLBSBEIAOJBJ-UHFFFAOYSA-N 0 0 422.510 4.481 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(CNc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000301098706 854296218 /nfs/dbraw/zinc/29/62/18/854296218.db2.gz HLIVSLPOCAVINM-KBPBESRZSA-N 0 0 403.866 4.110 20 5 HIBDRN Cc1cc(Br)ccc1NC(=O)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301109614 854298474 /nfs/dbraw/zinc/29/84/74/854298474.db2.gz SYKONZXUOAMGIX-UHFFFAOYSA-N 0 0 415.247 4.265 20 5 HIBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000301111962 854299445 /nfs/dbraw/zinc/29/94/45/854299445.db2.gz KXJSAKOVTFYPFZ-INIZCTEOSA-N 0 0 422.485 4.131 20 5 HIBDRN Cc1cc(N[C@@H](C)c2cccc(N3CCOC3=O)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301111844 854299455 /nfs/dbraw/zinc/29/94/55/854299455.db2.gz NFXUBMLJVZRYON-HNNXBMFYSA-N 0 0 419.441 4.490 20 5 HIBDRN O=C(c1ccc(F)cc1)N1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301117729 854301898 /nfs/dbraw/zinc/30/18/98/854301898.db2.gz VYPHTCXMUABSTB-UHFFFAOYSA-N 0 0 411.355 4.105 20 5 HIBDRN Cc1cc(NCc2cnn(Cc3ccccc3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301125092 854304584 /nfs/dbraw/zinc/30/45/84/854304584.db2.gz SMLORUHQSOFFFN-UHFFFAOYSA-N 0 0 400.442 4.217 20 5 HIBDRN CCc1cc(N2CCO[C@H](c3ccc(F)cc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301128073 854305362 /nfs/dbraw/zinc/30/53/62/854305362.db2.gz XQVIZCPZDRNJJX-FQEVSTJZSA-N 0 0 408.433 4.331 20 5 HIBDRN Cc1cc(Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000301130099 854306743 /nfs/dbraw/zinc/30/67/43/854306743.db2.gz ZTDAFJJHXKBFHZ-ZDUSSCGKSA-N 0 0 401.467 4.397 20 5 HIBDRN Cc1c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301147062 854310879 /nfs/dbraw/zinc/31/08/79/854310879.db2.gz PTLSZWZOUDFKJH-UHFFFAOYSA-N 0 0 420.353 4.465 20 5 HIBDRN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000301154481 854313421 /nfs/dbraw/zinc/31/34/21/854313421.db2.gz FKJXCGKLAXBRQI-GFCCVEGCSA-N 0 0 414.300 4.098 20 5 HIBDRN COc1ccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1OC1CCCC1 ZINC000301162544 854316959 /nfs/dbraw/zinc/31/69/59/854316959.db2.gz BZDFFJMFWZNRBR-UHFFFAOYSA-N 0 0 410.430 4.186 20 5 HIBDRN O=[N+]([O-])c1cc(F)ccc1NCc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000301175636 854320536 /nfs/dbraw/zinc/32/05/36/854320536.db2.gz LIXWZHJEKXXWBB-UHFFFAOYSA-N 0 0 401.419 4.147 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000301205677 854327743 /nfs/dbraw/zinc/32/77/43/854327743.db2.gz SIZJVILRPSWEGX-AWEZNQCLSA-N 0 0 411.483 4.455 20 5 HIBDRN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437296828 862554182 /nfs/dbraw/zinc/55/41/82/862554182.db2.gz WTVHQUZYTMPKTB-UHFFFAOYSA-N 0 0 421.375 4.410 20 5 HIBDRN O=[N+]([O-])c1ccc(Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000301220912 854331940 /nfs/dbraw/zinc/33/19/40/854331940.db2.gz BQIIEUHVXJWODR-UHFFFAOYSA-N 0 0 419.459 4.494 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC=C(c2ccc(F)cc2)CC1 ZINC000301225040 854333119 /nfs/dbraw/zinc/33/31/19/854333119.db2.gz CYYMXPLUNFHALV-UHFFFAOYSA-N 0 0 412.389 4.024 20 5 HIBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000301258847 854341469 /nfs/dbraw/zinc/34/14/69/854341469.db2.gz CIIFDOMBIUUEOY-UHFFFAOYSA-N 0 0 412.421 4.171 20 5 HIBDRN Cc1nn(C)c(NC[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000301267406 854344036 /nfs/dbraw/zinc/34/40/36/854344036.db2.gz IQBGZOJWVQLGRR-IBGZPJMESA-N 0 0 418.501 4.428 20 5 HIBDRN CCc1cc(N2CCC[C@@H](c3nncn3C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301306994 854352939 /nfs/dbraw/zinc/35/29/39/854352939.db2.gz ZMGGLBDIZRJZBD-QGZVFWFLSA-N 0 0 421.505 4.171 20 5 HIBDRN C[C@@H]1CCN(c2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccn2)C1 ZINC000437299010 862556179 /nfs/dbraw/zinc/55/61/79/862556179.db2.gz PICUTTOEQWLFPY-CYBMUJFWSA-N 0 0 409.471 4.212 20 5 HIBDRN CC[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000301324736 854360135 /nfs/dbraw/zinc/36/01/35/854360135.db2.gz AAYMTBDDUPMEGC-ZDUSSCGKSA-N 0 0 406.357 4.433 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000437298929 862556939 /nfs/dbraw/zinc/55/69/39/862556939.db2.gz OJYRXTLJCHURIG-CZUORRHYSA-N 0 0 403.841 4.273 20 5 HIBDRN CSC[C@@H](C)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301349498 854367349 /nfs/dbraw/zinc/36/73/49/854367349.db2.gz VEIPWTWJCMFHIU-CQSZACIVSA-N 0 0 409.533 4.176 20 5 HIBDRN CC(=O)c1ccc(N2CCN(C(=O)c3sc4ccccc4c3C)CC2)c([N+](=O)[O-])c1 ZINC000301364097 854372062 /nfs/dbraw/zinc/37/20/62/854372062.db2.gz QCKBIUQJUPPJRC-UHFFFAOYSA-N 0 0 423.494 4.283 20 5 HIBDRN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000301394605 854381358 /nfs/dbraw/zinc/38/13/58/854381358.db2.gz KNRSHLCDIJPIRQ-MRXNPFEDSA-N 0 0 412.229 4.004 20 5 HIBDRN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2c1cccc2Br ZINC000301397109 854381419 /nfs/dbraw/zinc/38/14/19/854381419.db2.gz GTJJVKHLDJBVPP-OAHLLOKOSA-N 0 0 418.247 4.413 20 5 HIBDRN Cc1cc(NCCc2csc(N3CCCC3)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301418767 854389327 /nfs/dbraw/zinc/38/93/27/854389327.db2.gz MUSLGKWDIQIKSE-UHFFFAOYSA-N 0 0 410.503 4.072 20 5 HIBDRN CC[C@H]1Oc2cc([C@H](C)Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)ccc2NC1=O ZINC000301435361 854393161 /nfs/dbraw/zinc/39/31/61/854393161.db2.gz RIKQPVOHESLYGT-ZUZCIYMTSA-N 0 0 407.373 4.479 20 5 HIBDRN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCc1cc(Cl)ccc1OC(F)F ZINC000301434028 854393556 /nfs/dbraw/zinc/39/35/56/854393556.db2.gz QKQCICWPECDGSN-UHFFFAOYSA-N 0 0 413.764 4.418 20 5 HIBDRN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301437046 854394138 /nfs/dbraw/zinc/39/41/38/854394138.db2.gz KJMUZLDUVMTISG-ZDUSSCGKSA-N 0 0 412.343 4.153 20 5 HIBDRN Cc1ccc([C@H](Nc2cc(C)c([N+](=O)[O-])cn2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000301436248 854394220 /nfs/dbraw/zinc/39/42/20/854394220.db2.gz MNYFQJIRCJLRCK-NRFANRHFSA-N 0 0 411.483 4.212 20 5 HIBDRN Cc1cc(N2CCC[C@@H]2c2ccc(I)cc2)ncc1[N+](=O)[O-] ZINC000301440410 854394954 /nfs/dbraw/zinc/39/49/54/854394954.db2.gz OOGDKFYCYRGWGD-CQSZACIVSA-N 0 0 409.227 4.244 20 5 HIBDRN CC[C@H]1CN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000301448344 854397061 /nfs/dbraw/zinc/39/70/61/854397061.db2.gz SBNNSKKCQWWPDX-RXVVDRJESA-N 0 0 423.513 4.087 20 5 HIBDRN COc1ccccc1NC(=O)C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301452614 854398059 /nfs/dbraw/zinc/39/80/59/854398059.db2.gz USUCEYJXMDNJAW-UHFFFAOYSA-N 0 0 423.391 4.477 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1 ZINC000301463613 854400279 /nfs/dbraw/zinc/40/02/79/854400279.db2.gz VSGRGVJDIOXOML-AVRDEDQJSA-N 0 0 409.486 4.375 20 5 HIBDRN COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000301461781 854400612 /nfs/dbraw/zinc/40/06/12/854400612.db2.gz ZXXWJLSNCWCAPK-HNNXBMFYSA-N 0 0 412.421 4.314 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NCc2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000301468793 854402402 /nfs/dbraw/zinc/40/24/02/854402402.db2.gz ZNBXFPVQMBIQKY-UHFFFAOYSA-N 0 0 413.437 4.233 20 5 HIBDRN CCOc1cc(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC000301533837 854414193 /nfs/dbraw/zinc/41/41/93/854414193.db2.gz QFGFBNJMLAAPRG-KRWDZBQOSA-N 0 0 412.490 4.340 20 5 HIBDRN Cc1sc2nc(CN3CCCC3)nc(N3CCc4ccc([N+](=O)[O-])cc4C3)c2c1C ZINC000301552815 854419019 /nfs/dbraw/zinc/41/90/19/854419019.db2.gz HIYIDFCNQZWYGW-UHFFFAOYSA-N 0 0 423.542 4.375 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000301573466 854422601 /nfs/dbraw/zinc/42/26/01/854422601.db2.gz PIOLJMPUTZZOHO-GOSISDBHSA-N 0 0 405.458 4.191 20 5 HIBDRN O=[N+]([O-])c1cnc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)c(Br)c1 ZINC000301578319 854423326 /nfs/dbraw/zinc/42/33/26/854423326.db2.gz ZJUQOHQJDUKMIC-LBPRGKRZSA-N 0 0 407.051 4.205 20 5 HIBDRN CCc1cc(N[C@@H](c2nnc3ccccn32)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301632038 854434051 /nfs/dbraw/zinc/43/40/51/854434051.db2.gz CWGXMUDMSZLIAM-HXUWFJFHSA-N 0 0 417.473 4.466 20 5 HIBDRN O=C1CCCCN1C1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301645084 854436559 /nfs/dbraw/zinc/43/65/59/854436559.db2.gz CMUGTVIDJCEOJT-UHFFFAOYSA-N 0 0 405.804 4.248 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000301674321 854441906 /nfs/dbraw/zinc/44/19/06/854441906.db2.gz GTJYWZFJYQXXDD-UHFFFAOYSA-N 0 0 402.252 4.013 20 5 HIBDRN Cc1nc(NC2CCN(Cc3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301675046 854441929 /nfs/dbraw/zinc/44/19/29/854441929.db2.gz PYEJGOLBQQHKFW-UHFFFAOYSA-N 0 0 405.296 4.137 20 5 HIBDRN O=c1c(Br)cn(-c2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-] ZINC000301672949 854442121 /nfs/dbraw/zinc/44/21/21/854442121.db2.gz ONUJHXIJXOEIEO-UHFFFAOYSA-N 0 0 420.166 4.137 20 5 HIBDRN Cc1nn(C)c(Oc2ccc(-n3c(C)nnc3-c3ccccc3C)cc2)c1[N+](=O)[O-] ZINC000301696713 854447125 /nfs/dbraw/zinc/44/71/25/854447125.db2.gz NFPHAOIYPRXBPI-UHFFFAOYSA-N 0 0 404.430 4.294 20 5 HIBDRN O=Cc1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])c(Br)c1 ZINC000301695270 854447539 /nfs/dbraw/zinc/44/75/39/854447539.db2.gz PKGDHXAWUXLNJE-UHFFFAOYSA-N 0 0 401.998 4.120 20 5 HIBDRN Cc1nc(-c2ccc(CCNc3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)cc2)cs1 ZINC000301709742 854449758 /nfs/dbraw/zinc/44/97/58/854449758.db2.gz XEHQQNIQTPLVGI-UHFFFAOYSA-N 0 0 410.455 4.012 20 5 HIBDRN CCn1c(Sc2ccc(Br)cc2[N+](=O)[O-])nnc1-c1ccccn1 ZINC000301724621 854452604 /nfs/dbraw/zinc/45/26/04/854452604.db2.gz UBRYUOQHFQMCPA-UHFFFAOYSA-N 0 0 406.265 4.182 20 5 HIBDRN Cc1sc(CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000301726370 854452779 /nfs/dbraw/zinc/45/27/79/854452779.db2.gz AMWIYUZGIAUIBY-UHFFFAOYSA-N 0 0 407.455 4.330 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(-c3cnccn3)n2Cc2ccco2)c(Cl)c1 ZINC000301730975 854453389 /nfs/dbraw/zinc/45/33/89/854453389.db2.gz XPYJJLZBAICLSX-UHFFFAOYSA-N 0 0 414.834 4.089 20 5 HIBDRN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301745788 854457022 /nfs/dbraw/zinc/45/70/22/854457022.db2.gz OSWZZDZNXIUGPG-ZDUSSCGKSA-N 0 0 403.870 4.073 20 5 HIBDRN Cc1cc(NCc2ccc(Br)cc2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000301756178 854459750 /nfs/dbraw/zinc/45/97/50/854459750.db2.gz KVKANQPNGNEYGR-UHFFFAOYSA-N 0 0 406.280 4.114 20 5 HIBDRN O=C1[C@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000301760316 854460604 /nfs/dbraw/zinc/46/06/04/854460604.db2.gz FPCGDLYWTBWUMO-SECBINFHSA-N 0 0 419.709 4.232 20 5 HIBDRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301782289 854464556 /nfs/dbraw/zinc/46/45/56/854464556.db2.gz NMNSKQDMQFRYNG-AAEUAGOBSA-N 0 0 403.401 4.496 20 5 HIBDRN Cc1cc(N[C@H](c2nnc3ccccn32)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301818718 854470040 /nfs/dbraw/zinc/47/00/40/854470040.db2.gz IONORSWXMKVCFI-IBGZPJMESA-N 0 0 403.446 4.212 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)cc1 ZINC000301827782 854472316 /nfs/dbraw/zinc/47/23/16/854472316.db2.gz FVBCSFXWCQNTMV-UHFFFAOYSA-N 0 0 404.264 4.160 20 5 HIBDRN Cc1cc(N[C@H](CN2CCCC2=O)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301834090 854472862 /nfs/dbraw/zinc/47/28/62/854472862.db2.gz SPDWAMLZJBSGKV-HXUWFJFHSA-N 0 0 417.469 4.136 20 5 HIBDRN CS(=O)(=O)c1cccc(N2CCC(c3c[nH]c4cc(F)ccc43)CC2)c1[N+](=O)[O-] ZINC000301852033 854476815 /nfs/dbraw/zinc/47/68/15/854476815.db2.gz AUUVBLONJWKEMN-UHFFFAOYSA-N 0 0 417.462 4.003 20 5 HIBDRN COc1ccc(NC(=O)[C@@H]2CCCN2c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000301871670 854481585 /nfs/dbraw/zinc/48/15/85/854481585.db2.gz WWTQZCMJXJWZNR-KRWDZBQOSA-N 0 0 409.364 4.230 20 5 HIBDRN C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000301896045 854487333 /nfs/dbraw/zinc/48/73/33/854487333.db2.gz YTXVOQXHZGRZBP-SNVBAGLBSA-N 0 0 404.224 4.018 20 5 HIBDRN CC(C)(C)Oc1cc(N2CCN(Cc3ccc(Cl)nc3)CC2)ccc1[N+](=O)[O-] ZINC000301902756 854489053 /nfs/dbraw/zinc/48/90/53/854489053.db2.gz OJNBAJMHOHOCEM-UHFFFAOYSA-N 0 0 404.898 4.143 20 5 HIBDRN O=[N+]([O-])c1cnc(N[C@H](c2cccc(F)c2)c2ccccn2)c(Br)c1 ZINC000301906318 854490117 /nfs/dbraw/zinc/49/01/17/854490117.db2.gz ZERMYMLVLKHNKV-MRXNPFEDSA-N 0 0 403.211 4.488 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c1)n1cccn1 ZINC000301926940 854494835 /nfs/dbraw/zinc/49/48/35/854494835.db2.gz JQOGOUPMCZTECZ-LBPRGKRZSA-N 0 0 417.372 4.336 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c1)n1cccn1 ZINC000301926939 854494890 /nfs/dbraw/zinc/49/48/90/854494890.db2.gz JQOGOUPMCZTECZ-GFCCVEGCSA-N 0 0 417.372 4.336 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(c3c[nH]c4cc(F)ccc43)CC2)s1 ZINC000301943461 854500397 /nfs/dbraw/zinc/50/03/97/854500397.db2.gz YNJQMBRFXROHPU-UHFFFAOYSA-N 0 0 423.491 4.064 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000301952441 854502967 /nfs/dbraw/zinc/50/29/67/854502967.db2.gz HFHVZWZVPXCYQY-PKOBYXMFSA-N 0 0 421.856 4.468 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000301952437 854503271 /nfs/dbraw/zinc/50/32/71/854503271.db2.gz HFHVZWZVPXCYQY-IEBWSBKVSA-N 0 0 421.856 4.468 20 5 HIBDRN Cc1cccc(NC(=O)[C@@H]2CCCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])C2)n1 ZINC000301982501 854508881 /nfs/dbraw/zinc/50/88/81/854508881.db2.gz BMVDHPJMPTYFMU-MRXNPFEDSA-N 0 0 405.458 4.010 20 5 HIBDRN 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CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCCOc3cc(Cl)ccc32)s1 ZINC000302023355 854517869 /nfs/dbraw/zinc/51/78/69/854517869.db2.gz OYOJIJPQMVCZGW-NSHDSACASA-N 0 0 402.881 4.039 20 5 HIBDRN CCC(CC)[C@H]1C[C@@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CCO1 ZINC000302029593 854518998 /nfs/dbraw/zinc/51/89/98/854518998.db2.gz HZSQBHMUROADCD-KBXCAEBGSA-N 0 0 420.897 4.190 20 5 HIBDRN Cc1ccc2[nH]c([C@@H]3CCCN(c4ncc([N+](=O)[O-])cc4Br)C3)nc2c1 ZINC000302034860 854519552 /nfs/dbraw/zinc/51/95/52/854519552.db2.gz DYTCEIAGZDVQCW-GFCCVEGCSA-N 0 0 416.279 4.321 20 5 HIBDRN Cc1cc(N2CCC(c3nc(-c4ccccn4)no3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302037381 854519944 /nfs/dbraw/zinc/51/99/44/854519944.db2.gz VFBSVKHWAQGHQF-UHFFFAOYSA-N 0 0 416.441 4.280 20 5 HIBDRN O=C(CCc1ccccc1)N1CC[C@H](Nc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000302045767 854521858 /nfs/dbraw/zinc/52/18/58/854521858.db2.gz YAPRQLLRVUJXDD-INIZCTEOSA-N 0 0 418.291 4.003 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1OC(F)F ZINC000302060146 854524738 /nfs/dbraw/zinc/52/47/38/854524738.db2.gz QYOLYRVBRQAERJ-UHFFFAOYSA-N 0 0 406.311 4.253 20 5 HIBDRN O=C1[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCCN1c1cccnc1 ZINC000302133358 854534593 /nfs/dbraw/zinc/53/45/93/854534593.db2.gz HGIOKUPFBIAFLA-ZDUSSCGKSA-N 0 0 414.771 4.270 20 5 HIBDRN COc1ccc([C@@H](Nc2ncc([N+](=O)[O-])cn2)c2ccccc2Cl)c(OC)c1 ZINC000302145582 854537019 /nfs/dbraw/zinc/53/70/19/854537019.db2.gz HOSGVIPSKIGUIY-SFHVURJKSA-N 0 0 400.822 4.257 20 5 HIBDRN COc1ccccc1-c1nnc(Sc2ncc([N+](=O)[O-])cn2)n1-c1ccc(C)cc1 ZINC000302145920 854537423 /nfs/dbraw/zinc/53/74/23/854537423.db2.gz HSIISWDMPXOJKA-UHFFFAOYSA-N 0 0 420.454 4.101 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CCC(c3noc(C4CC4)n3)CC2)c([N+](=O)[O-])c1 ZINC000302156460 854539109 /nfs/dbraw/zinc/53/91/09/854539109.db2.gz FFNXSCWZASBGSQ-UHFFFAOYSA-N 0 0 418.453 4.470 20 5 HIBDRN CN(C)c1ccc(N2CCC(Nc3ccc([N+](=O)[O-])cc3OC(F)F)CC2)cc1 ZINC000302180073 854544027 /nfs/dbraw/zinc/54/40/27/854544027.db2.gz ZCLBMJCVVKBEIZ-UHFFFAOYSA-N 0 0 406.433 4.343 20 5 HIBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000302206754 854549953 /nfs/dbraw/zinc/54/99/53/854549953.db2.gz XGWBRZXACFRENN-INIZCTEOSA-N 0 0 400.328 4.339 20 5 HIBDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000302207289 854550082 /nfs/dbraw/zinc/55/00/82/854550082.db2.gz AJAKMWNVVCCEER-UHFFFAOYSA-N 0 0 419.384 4.266 20 5 HIBDRN C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000302212701 854550418 /nfs/dbraw/zinc/55/04/18/854550418.db2.gz YZVMGCTVGRSWID-JTQLQIEISA-N 0 0 409.514 4.356 20 5 HIBDRN COc1ccc(-n2c(Sc3ncc([N+](=O)[O-])cn3)nnc2-c2ccc(C)cc2)cc1 ZINC000302210035 854550426 /nfs/dbraw/zinc/55/04/26/854550426.db2.gz GFWDOBVQFCVVKG-UHFFFAOYSA-N 0 0 420.454 4.101 20 5 HIBDRN O=C(NC[C@@H]1CCCO1)c1cccc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1 ZINC000302230100 854554531 /nfs/dbraw/zinc/55/45/31/854554531.db2.gz BLKQTMDSCNMTIF-HNNXBMFYSA-N 0 0 424.284 4.423 20 5 HIBDRN NC(=O)C1CCN(c2ccc(Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000302326434 854561703 /nfs/dbraw/zinc/56/17/03/854561703.db2.gz YEWJAWZZZXAPNE-UHFFFAOYSA-N 0 0 409.273 4.347 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000302360659 854563311 /nfs/dbraw/zinc/56/33/11/854563311.db2.gz CXOSTZHYAJTRQE-UHFFFAOYSA-N 0 0 402.319 4.380 20 5 HIBDRN COC(=O)c1cc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc(C)c1[N+](=O)[O-] ZINC000302406306 854568599 /nfs/dbraw/zinc/56/85/99/854568599.db2.gz LXUDJJICFSXGFR-KRWDZBQOSA-N 0 0 408.813 4.060 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000302398728 854568663 /nfs/dbraw/zinc/56/86/63/854568663.db2.gz KNUPAVFRVDDUJM-CQSZACIVSA-N 0 0 416.634 4.123 20 5 HIBDRN COc1cc(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000302438380 854571188 /nfs/dbraw/zinc/57/11/88/854571188.db2.gz QVUBVOMNWYUAGH-UHFFFAOYSA-N 0 0 423.391 4.339 20 5 HIBDRN Cc1cccc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1[N+](=O)[O-] ZINC000302480955 854574495 /nfs/dbraw/zinc/57/44/95/854574495.db2.gz GLYMFTVLRUCCFK-ZDUSSCGKSA-N 0 0 405.380 4.349 20 5 HIBDRN O=C1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCN1c1ccccc1C(F)(F)F ZINC000302483333 854575438 /nfs/dbraw/zinc/57/54/38/854575438.db2.gz YJZOCYFMIPWWHX-MRXNPFEDSA-N 0 0 416.359 4.379 20 5 HIBDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302661897 854599241 /nfs/dbraw/zinc/59/92/41/854599241.db2.gz PFHUMUYFGNHRRH-NSHDSACASA-N 0 0 402.394 4.060 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000302665354 854600773 /nfs/dbraw/zinc/60/07/73/854600773.db2.gz PYXVNRLEKXQGFP-HXUWFJFHSA-N 0 0 408.479 4.150 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000302679622 854602904 /nfs/dbraw/zinc/60/29/04/854602904.db2.gz WBCUCIQDRXTTJO-UHFFFAOYSA-N 0 0 422.466 4.154 20 5 HIBDRN Cc1cc(NCCc2nnc(-c3ccccc3)o2)c(Br)cc1[N+](=O)[O-] ZINC000302681677 854602985 /nfs/dbraw/zinc/60/29/85/854602985.db2.gz PHAPBPPDZRIVBU-UHFFFAOYSA-N 0 0 403.236 4.370 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000302684856 854603981 /nfs/dbraw/zinc/60/39/81/854603981.db2.gz HCNUNMXVLYDBKH-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000302688911 854605009 /nfs/dbraw/zinc/60/50/09/854605009.db2.gz NLQXVAYWXBKPSK-UHFFFAOYSA-N 0 0 413.437 4.081 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)nc1 ZINC000302690106 854605248 /nfs/dbraw/zinc/60/52/48/854605248.db2.gz UYYBADJVKKBSTL-CQSZACIVSA-N 0 0 416.235 4.144 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)cc1[N+](=O)[O-] ZINC000302765225 854627148 /nfs/dbraw/zinc/62/71/48/854627148.db2.gz PQKUAYLHWRPCDT-LLVKDONJSA-N 0 0 423.263 4.256 20 5 HIBDRN COC(=O)c1cnc(Oc2ccc3cc(Br)ccc3c2)c([N+](=O)[O-])c1 ZINC000302780664 854632385 /nfs/dbraw/zinc/63/23/85/854632385.db2.gz RMPDSHFHKMUXGN-UHFFFAOYSA-N 0 0 403.188 4.484 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000302830547 854647362 /nfs/dbraw/zinc/64/73/62/854647362.db2.gz QCFXGQHQYQOPQP-UHFFFAOYSA-N 0 0 423.922 4.094 20 5 HIBDRN Cc1cc2ccccc2n1CC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000302840387 854651484 /nfs/dbraw/zinc/65/14/84/854651484.db2.gz AMDAUAFFQAQTDS-LJQANCHMSA-N 0 0 423.469 4.057 20 5 HIBDRN COc1ccc(-c2cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])sc2C)cc1 ZINC000302853356 854657681 /nfs/dbraw/zinc/65/76/81/854657681.db2.gz BACINWKMDAOVMB-UHFFFAOYSA-N 0 0 411.483 4.482 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1N1CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C1)CCN2 ZINC000302892912 854668361 /nfs/dbraw/zinc/66/83/61/854668361.db2.gz QBBFZLYTOPQPCB-CQSZACIVSA-N 0 0 409.421 4.136 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000303051860 854739303 /nfs/dbraw/zinc/73/93/03/854739303.db2.gz VNURGIRDJLSLCI-UHFFFAOYSA-N 0 0 416.821 4.094 20 5 HIBDRN Cc1ccc(OCCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(Br)c1 ZINC000303061721 854744519 /nfs/dbraw/zinc/74/45/19/854744519.db2.gz MAMMABVSSFGREB-UHFFFAOYSA-N 0 0 405.248 4.024 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000303068821 854746761 /nfs/dbraw/zinc/74/67/61/854746761.db2.gz OAVYGDDTWHMIAC-NRFANRHFSA-N 0 0 421.522 4.494 20 5 HIBDRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000303073626 854748630 /nfs/dbraw/zinc/74/86/30/854748630.db2.gz YDZZQMPFJGXPPF-QFIPXVFZSA-N 0 0 424.428 4.222 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1OCC ZINC000303072390 854748787 /nfs/dbraw/zinc/74/87/87/854748787.db2.gz PONWQSCXOZUQMC-OAHLLOKOSA-N 0 0 424.457 4.069 20 5 HIBDRN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccccc1 ZINC000303117837 854768919 /nfs/dbraw/zinc/76/89/19/854768919.db2.gz MHXJHRIDANOJHD-UHFFFAOYSA-N 0 0 406.438 4.421 20 5 HIBDRN COc1ccc(CC2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000303128523 854774670 /nfs/dbraw/zinc/77/46/70/854774670.db2.gz RIJPHLAAEWQABG-UHFFFAOYSA-N 0 0 411.502 4.277 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 ZINC000303282130 854850356 /nfs/dbraw/zinc/85/03/56/854850356.db2.gz MLPULUIYZAAZHL-UHFFFAOYSA-N 0 0 406.373 4.295 20 5 HIBDRN Cc1nc(C)c(CCNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000303380596 854900829 /nfs/dbraw/zinc/90/08/29/854900829.db2.gz MLPGDCFSMQLUAW-OKILXGFUSA-N 0 0 416.547 4.123 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000303415347 854917091 /nfs/dbraw/zinc/91/70/91/854917091.db2.gz WEQWGZAEODZEPV-UHFFFAOYSA-N 0 0 404.426 4.032 20 5 HIBDRN O=C([C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303427069 854928704 /nfs/dbraw/zinc/92/87/04/854928704.db2.gz DUZAOWYPYHPFQH-IRXDYDNUSA-N 0 0 419.403 4.066 20 5 HIBDRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303429012 854930141 /nfs/dbraw/zinc/93/01/41/854930141.db2.gz BLPCQLJDRBRPIU-LLVKDONJSA-N 0 0 419.359 4.228 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000303434771 854935515 /nfs/dbraw/zinc/93/55/15/854935515.db2.gz DBVYCZHRTSASTD-OAHLLOKOSA-N 0 0 415.515 4.490 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](c2ccsc2)O1 ZINC000437350853 862629907 /nfs/dbraw/zinc/62/99/07/862629907.db2.gz DKNKCTLDYGLXRD-ZUZCIYMTSA-N 0 0 400.378 4.277 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000437352724 862631657 /nfs/dbraw/zinc/63/16/57/862631657.db2.gz AFTUZOHTSKZOHA-GXFFZTMASA-N 0 0 400.740 4.275 20 5 HIBDRN C[C@@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1)N1CCOCC1 ZINC000437355966 862637103 /nfs/dbraw/zinc/63/71/03/862637103.db2.gz MUMSVROYUGJIFD-ZDUSSCGKSA-N 0 0 423.391 4.259 20 5 HIBDRN Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000303676553 855125606 /nfs/dbraw/zinc/12/56/06/855125606.db2.gz YALUXTGYVUZAPG-UHFFFAOYSA-N 0 0 419.840 4.187 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000303688276 855134211 /nfs/dbraw/zinc/13/42/11/855134211.db2.gz LYDXYXKSVHDZAG-CQSZACIVSA-N 0 0 412.421 4.388 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCC[C@@H](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000303708374 855144697 /nfs/dbraw/zinc/14/46/97/855144697.db2.gz PKIOWEGRENVBSW-QUCCMNQESA-N 0 0 415.534 4.183 20 5 HIBDRN COC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000437361674 862646822 /nfs/dbraw/zinc/64/68/22/862646822.db2.gz AGNBLZAWYLTCTH-UHFFFAOYSA-N 0 0 402.712 4.306 20 5 HIBDRN Cc1ccc([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 ZINC000303734198 855160231 /nfs/dbraw/zinc/16/02/31/855160231.db2.gz FUMDBKCKSPDNSH-LBPRGKRZSA-N 0 0 424.238 4.041 20 5 HIBDRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303797548 855203654 /nfs/dbraw/zinc/20/36/54/855203654.db2.gz RRMMWHBMOXXARU-DOMZBBRYSA-N 0 0 423.300 4.188 20 5 HIBDRN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)s1 ZINC000303811710 855214304 /nfs/dbraw/zinc/21/43/04/855214304.db2.gz CBEUNUSVCOSXGE-CQSZACIVSA-N 0 0 402.520 4.356 20 5 HIBDRN Cc1c(Cl)c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc12 ZINC000303815562 855217819 /nfs/dbraw/zinc/21/78/19/855217819.db2.gz JBPOIFUGQBNRIX-UHFFFAOYSA-N 0 0 424.888 4.063 20 5 HIBDRN Cn1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2Cl)n1 ZINC000303858616 855253898 /nfs/dbraw/zinc/25/38/98/855253898.db2.gz WDLRHUVVAZORRT-UHFFFAOYSA-N 0 0 412.877 4.401 20 5 HIBDRN O=C(Nc1cccc(N2CCCCCC2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303864411 855258938 /nfs/dbraw/zinc/25/89/38/855258938.db2.gz MYKGVKVXFGFQIJ-UHFFFAOYSA-N 0 0 423.517 4.329 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCCC[C@H]1c1ccco1 ZINC000303878423 855265256 /nfs/dbraw/zinc/26/52/56/855265256.db2.gz QTEMOYHFWLCISW-INIZCTEOSA-N 0 0 413.430 4.020 20 5 HIBDRN O=C1[C@H](Sc2nnc(-c3ccc(Cl)s3)o2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303926585 855296202 /nfs/dbraw/zinc/29/62/02/855296202.db2.gz UQXJFOMNJIMKEP-GFCCVEGCSA-N 0 0 422.875 4.257 20 5 HIBDRN COc1ccc(OCCSc2nnc3cc(C)c4ccccc4n32)c([N+](=O)[O-])c1 ZINC000303947850 855311527 /nfs/dbraw/zinc/31/15/27/855311527.db2.gz UXMQFJGOSAZCHX-UHFFFAOYSA-N 0 0 410.455 4.279 20 5 HIBDRN Cc1nnc(-c2cccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)o1 ZINC000304085880 855352203 /nfs/dbraw/zinc/35/22/03/855352203.db2.gz WMJNZDXEMWHOLZ-UHFFFAOYSA-N 0 0 407.411 4.329 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000437372792 862673262 /nfs/dbraw/zinc/67/32/62/862673262.db2.gz XZEIHDSRIDQYLS-SMDDNHRTSA-N 0 0 414.767 4.107 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)ccc1Br ZINC000325346611 855402650 /nfs/dbraw/zinc/40/26/50/855402650.db2.gz DRZYNXDGIIOWSJ-UHFFFAOYSA-N 0 0 403.154 4.306 20 5 HIBDRN COC(=O)c1cccc(COc2ccc(Br)cc2[N+](=O)[O-])c1Cl ZINC000381808486 855431675 /nfs/dbraw/zinc/43/16/75/855431675.db2.gz CXRADXCADDZDGF-UHFFFAOYSA-N 0 0 400.612 4.376 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(I)ccc1Cl ZINC000385197486 855440987 /nfs/dbraw/zinc/44/09/87/855440987.db2.gz PJUQKZCJYHOAKR-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1cccc2oc(CCNC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)nc21 ZINC000437376749 862680592 /nfs/dbraw/zinc/68/05/92/862680592.db2.gz NMAJBKRBCPLFMI-HNNXBMFYSA-N 0 0 422.485 4.253 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Br)cc1[N+](=O)[O-] ZINC000389262980 855450656 /nfs/dbraw/zinc/45/06/56/855450656.db2.gz CWHANHAFANKNAW-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000389498415 855450709 /nfs/dbraw/zinc/45/07/09/855450709.db2.gz BMDCSJGDYYCXGF-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1cccc2oc(CCNC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)nc21 ZINC000437376754 862684533 /nfs/dbraw/zinc/68/45/33/862684533.db2.gz NMAJBKRBCPLFMI-OAHLLOKOSA-N 0 0 422.485 4.253 20 5 HIBDRN O=c1ccccn1C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccccc1 ZINC000409518604 855520146 /nfs/dbraw/zinc/52/01/46/855520146.db2.gz FNYZQNLVXZBBAP-MRXNPFEDSA-N 0 0 401.369 4.211 20 5 HIBDRN Cc1cc(N[C@@H](Cn2ccccc2=O)c2ccccc2)c2cccc([N+](=O)[O-])c2n1 ZINC000409523491 855522635 /nfs/dbraw/zinc/52/26/35/855522635.db2.gz UEJKAWVTEMGWBT-FQEVSTJZSA-N 0 0 400.438 4.467 20 5 HIBDRN O=c1ccccn1C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000409524893 855523536 /nfs/dbraw/zinc/52/35/36/855523536.db2.gz CVULYRRORYJJHC-SFHVURJKSA-N 0 0 414.259 4.372 20 5 HIBDRN O=C(NCc1ccc(-c2cccnc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000437380930 862690047 /nfs/dbraw/zinc/69/00/47/862690047.db2.gz AZVFUWVWNSFLQT-UHFFFAOYSA-N 0 0 402.454 4.187 20 5 HIBDRN CC[C@@H](C(=O)N1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1)c1ccccc1 ZINC000409541948 855534243 /nfs/dbraw/zinc/53/42/43/855534243.db2.gz AOXLXCGIPIWYQE-LJQANCHMSA-N 0 0 424.501 4.210 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000409545793 855535629 /nfs/dbraw/zinc/53/56/29/855535629.db2.gz ANHQDPFBIAAVIP-NZQKXSOJSA-N 0 0 423.513 4.095 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000409582759 855551932 /nfs/dbraw/zinc/55/19/32/855551932.db2.gz SEJDHVRWALNHMF-AMIZOPFISA-N 0 0 417.256 4.064 20 5 HIBDRN Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000409585984 855553882 /nfs/dbraw/zinc/55/38/82/855553882.db2.gz PPKYDLWYCXVCKA-KRWDZBQOSA-N 0 0 420.263 4.271 20 5 HIBDRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000409598317 855558834 /nfs/dbraw/zinc/55/88/34/855558834.db2.gz UVXLBWUHDLTQIB-UHFFFAOYSA-N 0 0 409.183 4.108 20 5 HIBDRN Cc1c(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] ZINC000409607988 855563244 /nfs/dbraw/zinc/56/32/44/855563244.db2.gz LTSLWBUARYMLAG-KRWDZBQOSA-N 0 0 420.263 4.271 20 5 HIBDRN Cc1sc(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000409658631 855588909 /nfs/dbraw/zinc/58/89/09/855588909.db2.gz UZVZVFSIJRJOIL-UHFFFAOYSA-N 0 0 413.524 4.478 20 5 HIBDRN Cc1c(Br)c(N2CCC(N3CCc4ccccc43)CC2)ncc1[N+](=O)[O-] ZINC000409673920 855596327 /nfs/dbraw/zinc/59/63/27/855596327.db2.gz XRFJSWFTOGEECR-UHFFFAOYSA-N 0 0 417.307 4.092 20 5 HIBDRN Cc1ccc(NC(=O)NCc2ccc(OCCOc3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000409680475 855599139 /nfs/dbraw/zinc/59/91/39/855599139.db2.gz WHRSXRISZYGOLB-UHFFFAOYSA-N 0 0 422.441 4.078 20 5 HIBDRN CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000409692197 855604343 /nfs/dbraw/zinc/60/43/43/855604343.db2.gz MWJJOYDBTKARBG-GFCCVEGCSA-N 0 0 406.508 4.362 20 5 HIBDRN O=C(N[C@@H]1CCCC12CCOCC2)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000409787437 855654140 /nfs/dbraw/zinc/65/41/40/855654140.db2.gz JUEHYGSMOFQTTM-OAQYLSRUSA-N 0 0 409.486 4.286 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCCC12CCOCC2 ZINC000409801608 855660252 /nfs/dbraw/zinc/66/02/52/855660252.db2.gz PQBFIOABPOLFMM-OAHLLOKOSA-N 0 0 418.437 4.171 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000409819428 855671228 /nfs/dbraw/zinc/67/12/28/855671228.db2.gz ZZYVWNBJBCDBMQ-SNVBAGLBSA-N 0 0 406.320 4.155 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000409823589 855673678 /nfs/dbraw/zinc/67/36/78/855673678.db2.gz RWPKGADSQBBBKM-OACKDKIBSA-N 0 0 410.470 4.298 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N[C@H]3CCOc4c(F)cccc43)cc2[N+](=O)[O-])CC1 ZINC000409860788 855692619 /nfs/dbraw/zinc/69/26/19/855692619.db2.gz IHTMMSBXSZIJKU-SFHVURJKSA-N 0 0 413.449 4.224 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000409875786 855700982 /nfs/dbraw/zinc/70/09/82/855700982.db2.gz MVGBIPQPVYAFQD-DKSSEZFCSA-N 0 0 410.470 4.079 20 5 HIBDRN CCOc1ccc(C(=O)N(CCOC)Cc2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000409960856 855746300 /nfs/dbraw/zinc/74/63/00/855746300.db2.gz MOXOXNHWTXBBRU-UHFFFAOYSA-N 0 0 410.829 4.075 20 5 HIBDRN O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000409984519 855763127 /nfs/dbraw/zinc/76/31/27/855763127.db2.gz LBDKVYCOVSWOCR-INIZCTEOSA-N 0 0 418.453 4.483 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1 ZINC000410043720 855795364 /nfs/dbraw/zinc/79/53/64/855795364.db2.gz IRIHZFWXFSEJOC-HSZRJFAPSA-N 0 0 418.449 4.448 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000410045887 855797219 /nfs/dbraw/zinc/79/72/19/855797219.db2.gz JFIBUKFALQANCX-NSHDSACASA-N 0 0 418.475 4.296 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC3CC(C)(c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000410078702 855810774 /nfs/dbraw/zinc/81/07/74/855810774.db2.gz SQUZTBOYCMBFDZ-UHFFFAOYSA-N 0 0 418.497 4.307 20 5 HIBDRN O=C(NCCc1ccc(OCc2ccccc2)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000410148067 855838519 /nfs/dbraw/zinc/83/85/19/855838519.db2.gz OUTOIBSXMVLEPV-UHFFFAOYSA-N 0 0 405.454 4.216 20 5 HIBDRN O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000410160720 855845199 /nfs/dbraw/zinc/84/51/99/855845199.db2.gz ZHXNDFBPQAIZHL-UHFFFAOYSA-N 0 0 416.846 4.245 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000410228022 855870992 /nfs/dbraw/zinc/87/09/92/855870992.db2.gz DHGUDYVTBHGNED-UHFFFAOYSA-N 0 0 402.422 4.021 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@H]1CCOC1 ZINC000410238790 855875806 /nfs/dbraw/zinc/87/58/06/855875806.db2.gz WHJNAVZHANNGRW-ZFWWWQNUSA-N 0 0 403.866 4.015 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CCCC(F)(F)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000410265478 855890463 /nfs/dbraw/zinc/89/04/63/855890463.db2.gz HDIXYUUGUDNZKQ-MRXNPFEDSA-N 0 0 406.433 4.012 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000410267910 855892172 /nfs/dbraw/zinc/89/21/72/855892172.db2.gz IOLMZUGNRWZODV-UHFFFAOYSA-N 0 0 420.425 4.177 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H](c2ccccc2F)C1 ZINC000410295700 855912726 /nfs/dbraw/zinc/91/27/26/855912726.db2.gz BITMJYJQMXZQDY-KRWDZBQOSA-N 0 0 400.453 4.310 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccccc2)cs1 ZINC000410303889 855916970 /nfs/dbraw/zinc/91/69/70/855916970.db2.gz SYNLEBVFCZJQAH-CQSZACIVSA-N 0 0 419.466 4.395 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccccc2)cs1 ZINC000410303886 855917034 /nfs/dbraw/zinc/91/70/34/855917034.db2.gz SYNLEBVFCZJQAH-AWEZNQCLSA-N 0 0 419.466 4.395 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000410330092 855932256 /nfs/dbraw/zinc/93/22/56/855932256.db2.gz WTDVKXSNJWGFHU-RTBURBONSA-N 0 0 410.518 4.103 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000410386104 855966057 /nfs/dbraw/zinc/96/60/57/855966057.db2.gz YSYUGZLXZJRCRF-UHFFFAOYSA-N 0 0 419.275 4.142 20 5 HIBDRN CCOc1cccc(CCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000425926004 856003221 /nfs/dbraw/zinc/00/32/21/856003221.db2.gz RQFLNXXSGCJWCE-UHFFFAOYSA-N 0 0 411.380 4.054 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000425945264 856013837 /nfs/dbraw/zinc/01/38/37/856013837.db2.gz KAXLCVBRGUINHY-RCCFBDPRSA-N 0 0 405.376 4.141 20 5 HIBDRN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426058394 856078321 /nfs/dbraw/zinc/07/83/21/856078321.db2.gz DVLRRBPMYWAPMT-HKUYNNGSSA-N 0 0 423.391 4.152 20 5 HIBDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426087986 856099143 /nfs/dbraw/zinc/09/91/43/856099143.db2.gz XKCOSUSULHWSMB-UHFFFAOYSA-N 0 0 422.485 4.336 20 5 HIBDRN CSCc1cccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000426181893 856160152 /nfs/dbraw/zinc/16/01/52/856160152.db2.gz DSQKRJPOQLDQDC-UHFFFAOYSA-N 0 0 413.421 4.476 20 5 HIBDRN COc1c(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)oc2ccccc21 ZINC000426207858 856175990 /nfs/dbraw/zinc/17/59/90/856175990.db2.gz YIHHVWCGFJEUCG-UHFFFAOYSA-N 0 0 423.347 4.368 20 5 HIBDRN CC1(C)CC[C@H]2C[C@H](NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c3cccc1c32 ZINC000426214927 856180846 /nfs/dbraw/zinc/18/08/46/856180846.db2.gz QEHOQQUBDPQFKX-KXBFYZLASA-N 0 0 423.517 4.438 20 5 HIBDRN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000426217909 856182730 /nfs/dbraw/zinc/18/27/30/856182730.db2.gz BVZDDTVKTFJTCC-GHTZIAJQSA-N 0 0 411.506 4.098 20 5 HIBDRN COc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC(F)F ZINC000426222417 856186328 /nfs/dbraw/zinc/18/63/28/856186328.db2.gz KQPZYGMBCWDFBW-UHFFFAOYSA-N 0 0 421.400 4.079 20 5 HIBDRN Cc1nc2ccccc2n1CCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426222969 856186469 /nfs/dbraw/zinc/18/64/69/856186469.db2.gz PZBTXJZRVCOUOT-UHFFFAOYSA-N 0 0 407.474 4.017 20 5 HIBDRN CC(C)(C)[C@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000426239150 856196763 /nfs/dbraw/zinc/19/67/63/856196763.db2.gz QYARVKOJEXPTKN-UKRRQHHQSA-N 0 0 403.401 4.007 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000426253623 856203863 /nfs/dbraw/zinc/20/38/63/856203863.db2.gz ASANTYOVQDKYAR-LBPRGKRZSA-N 0 0 414.409 4.159 20 5 HIBDRN CC(C)C[C@@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000426256753 856206091 /nfs/dbraw/zinc/20/60/91/856206091.db2.gz TZVICXMJNXACDD-GOEBONIOSA-N 0 0 403.401 4.007 20 5 HIBDRN C[C@@H]1COc2ccccc2CN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426259709 856207052 /nfs/dbraw/zinc/20/70/52/856207052.db2.gz AEUMXCQSLYUZHX-GFCCVEGCSA-N 0 0 409.364 4.106 20 5 HIBDRN CCO[C@H]1C[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C12CCC2 ZINC000426265048 856210035 /nfs/dbraw/zinc/21/00/35/856210035.db2.gz SRTDNMRKDXRDDE-CVEARBPZSA-N 0 0 415.412 4.103 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(c2ccncc2)CC1 ZINC000426268682 856212309 /nfs/dbraw/zinc/21/23/09/856212309.db2.gz QNGSBAWFRNKHJG-UHFFFAOYSA-N 0 0 408.380 4.098 20 5 HIBDRN Cn1cccc1[C@@H]1CCCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426273356 856213820 /nfs/dbraw/zinc/21/38/20/856213820.db2.gz GIPQVUXGMNWRBE-KRWDZBQOSA-N 0 0 410.396 4.389 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(Cc2cccnc2)CC1 ZINC000426277464 856216565 /nfs/dbraw/zinc/21/65/65/856216565.db2.gz KVMCTCAETVRDGD-UHFFFAOYSA-N 0 0 422.407 4.173 20 5 HIBDRN Cc1ccc(OCCN(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000426279997 856217286 /nfs/dbraw/zinc/21/72/86/856217286.db2.gz SASCBSHYVKCOIJ-UHFFFAOYSA-N 0 0 411.380 4.142 20 5 HIBDRN Cn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c(C(C)(C)C)n1 ZINC000426287216 856221999 /nfs/dbraw/zinc/22/19/99/856221999.db2.gz WVFDLKBUWHKMIR-UHFFFAOYSA-N 0 0 406.442 4.109 20 5 HIBDRN CCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000426324444 856246548 /nfs/dbraw/zinc/24/65/48/856246548.db2.gz QJZPEYLGNBFYQU-LLVKDONJSA-N 0 0 414.430 4.360 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C2CC2)c2ccccc21 ZINC000426367313 856261459 /nfs/dbraw/zinc/26/14/59/856261459.db2.gz WFEQTKBBXAIBPP-UHFFFAOYSA-N 0 0 409.489 4.170 20 5 HIBDRN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000426484707 856315754 /nfs/dbraw/zinc/31/57/54/856315754.db2.gz HHMURBIJOLNHPS-YVSFHVDLSA-N 0 0 401.507 4.401 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000437419516 862788085 /nfs/dbraw/zinc/78/80/85/862788085.db2.gz QFCNMELJMLSMBX-UHFFFAOYSA-N 0 0 405.838 4.169 20 5 HIBDRN Cc1cn2c(nc(C)c2-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)s1 ZINC000426604907 856369338 /nfs/dbraw/zinc/36/93/38/856369338.db2.gz KZYPDVYJTCEGRM-UHFFFAOYSA-N 0 0 419.850 4.246 20 5 HIBDRN Cc1cnc(OCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000426608762 856371630 /nfs/dbraw/zinc/37/16/30/856371630.db2.gz VBINCVBPQIBCAI-HXUWFJFHSA-N 0 0 411.845 4.236 20 5 HIBDRN CC(C)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)CC(=O)[O-] ZINC000426627196 856380549 /nfs/dbraw/zinc/38/05/49/856380549.db2.gz DHSGTWVCGZADLP-UHFFFAOYSA-N 0 0 411.252 4.208 20 5 HIBDRN C[C@H](N(C)C(=O)c1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])c1)C1(C)CC1 ZINC000426650652 856393737 /nfs/dbraw/zinc/39/37/37/856393737.db2.gz FKLSAAQSLLSPER-GJZGRUSLSA-N 0 0 401.507 4.116 20 5 HIBDRN C[C@@H](N(C)C(=O)c1ccc(C(=O)N(C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])c1)C1(C)CC1 ZINC000426650653 856394521 /nfs/dbraw/zinc/39/45/21/856394521.db2.gz FKLSAAQSLLSPER-HUUCEWRRSA-N 0 0 401.507 4.116 20 5 HIBDRN CN(c1ccccc1)c1ccc(C[NH2+]CCc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000426656092 856397281 /nfs/dbraw/zinc/39/72/81/856397281.db2.gz GVGBFXDVPGYFJR-UHFFFAOYSA-N 0 0 405.454 4.393 20 5 HIBDRN CSCC[C@@H]([NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426681889 856410855 /nfs/dbraw/zinc/41/08/55/856410855.db2.gz ZUORZCWGHFKPLT-MRXNPFEDSA-N 0 0 406.529 4.350 20 5 HIBDRN CO[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000426711791 856427744 /nfs/dbraw/zinc/42/77/44/856427744.db2.gz ROZMQMDNSLHODX-QFIPXVFZSA-N 0 0 424.428 4.430 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000426715042 856429723 /nfs/dbraw/zinc/42/97/23/856429723.db2.gz POBLTWUWMOWOEW-QGZVFWFLSA-N 0 0 403.866 4.120 20 5 HIBDRN Cc1cc2cc(C[NH2+][C@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])oc2cc1C ZINC000426740868 856445680 /nfs/dbraw/zinc/44/56/80/856445680.db2.gz CIKHQEDQNGIUOW-HXUWFJFHSA-N 0 0 407.426 4.225 20 5 HIBDRN COc1ccc(Br)cc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000426772459 856469103 /nfs/dbraw/zinc/46/91/03/856469103.db2.gz JVBXYWABEDTUOK-UHFFFAOYSA-N 0 0 422.279 4.100 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccco1 ZINC000426784191 856475276 /nfs/dbraw/zinc/47/52/76/856475276.db2.gz LWBZHJCXRUPGRJ-NRFANRHFSA-N 0 0 407.426 4.054 20 5 HIBDRN COc1ccc(OCCSCc2ccn(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 ZINC000437427868 862802491 /nfs/dbraw/zinc/80/24/91/862802491.db2.gz FOZCUUBMTNZQII-UHFFFAOYSA-N 0 0 403.435 4.240 20 5 HIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000426814825 856494349 /nfs/dbraw/zinc/49/43/49/856494349.db2.gz BHFWFFZCJGQLCB-KRWDZBQOSA-N 0 0 400.818 4.294 20 5 HIBDRN CC(C)C[C@H](C)n1nccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000426877874 856524353 /nfs/dbraw/zinc/52/43/53/856524353.db2.gz AREHFLXZAXVDTE-LBPRGKRZSA-N 0 0 409.284 4.342 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000426882562 856525891 /nfs/dbraw/zinc/52/58/91/856525891.db2.gz OJOVVZORMLPIND-LLVKDONJSA-N 0 0 422.279 4.074 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1OC1CCCC1 ZINC000426885713 856526737 /nfs/dbraw/zinc/52/67/37/856526737.db2.gz DVDMQLBZYUQGAB-CQSZACIVSA-N 0 0 414.458 4.424 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000426955933 856562173 /nfs/dbraw/zinc/56/21/73/856562173.db2.gz SONLHOOEUQXJID-QFIPXVFZSA-N 0 0 409.442 4.294 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000437449553 862815282 /nfs/dbraw/zinc/81/52/82/862815282.db2.gz RKSPQEJIBHZWNG-UHFFFAOYSA-N 0 0 421.428 4.210 20 5 HIBDRN CC(C)(C)[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000427079924 856624890 /nfs/dbraw/zinc/62/48/90/856624890.db2.gz ZWAVEENNLFCTSH-FPOVZHCZSA-N 0 0 412.486 4.043 20 5 HIBDRN Cc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000427109097 856643950 /nfs/dbraw/zinc/64/39/50/856643950.db2.gz GKGDYLRWWWWSAN-QGZVFWFLSA-N 0 0 404.850 4.369 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)n1 ZINC000427118198 856649183 /nfs/dbraw/zinc/64/91/83/856649183.db2.gz UMYXABZGAZLPRJ-UHFFFAOYSA-N 0 0 416.441 4.225 20 5 HIBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427135097 856661269 /nfs/dbraw/zinc/66/12/69/856661269.db2.gz ABDFZZKLHZIVSK-HDICACEKSA-N 0 0 421.497 4.154 20 5 HIBDRN O=C(NCC1(CCO)CCCCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427146848 856669118 /nfs/dbraw/zinc/66/91/18/856669118.db2.gz HQBSHYUIKJHWGU-UHFFFAOYSA-N 0 0 412.486 4.237 20 5 HIBDRN CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000427171754 856689376 /nfs/dbraw/zinc/68/93/76/856689376.db2.gz SDAQYGRIKJHBLO-OAQYLSRUSA-N 0 0 419.485 4.397 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)n1 ZINC000427201028 856708927 /nfs/dbraw/zinc/70/89/27/856708927.db2.gz VPTPDWHPLBKEPX-UHFFFAOYSA-N 0 0 424.482 4.235 20 5 HIBDRN O=C(Nc1cc(CCc2ccccc2)ccn1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000427227215 856723618 /nfs/dbraw/zinc/72/36/18/856723618.db2.gz LPPZVMNPGCNRDS-UHFFFAOYSA-N 0 0 413.437 4.213 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C ZINC000427249801 856735663 /nfs/dbraw/zinc/73/56/63/856735663.db2.gz LVVKQTJHPQIIMI-UHFFFAOYSA-N 0 0 411.458 4.227 20 5 HIBDRN CCn1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1-c1ccccc1 ZINC000427261069 856741331 /nfs/dbraw/zinc/74/13/31/856741331.db2.gz TWYITVUQAKTDAR-UHFFFAOYSA-N 0 0 402.357 4.332 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 ZINC000427263898 856743045 /nfs/dbraw/zinc/74/30/45/856743045.db2.gz XVKQLGWYZXCJBQ-UHFFFAOYSA-N 0 0 402.410 4.409 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n1 ZINC000427376854 856801165 /nfs/dbraw/zinc/80/11/65/856801165.db2.gz UKKWZKKNJLQXDX-CTNGQTDRSA-N 0 0 404.470 4.402 20 5 HIBDRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)o1 ZINC000437478446 862838414 /nfs/dbraw/zinc/83/84/14/862838414.db2.gz BXTFMMAGWPCDRG-BBRMVZONSA-N 0 0 402.447 4.381 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000427455487 856828012 /nfs/dbraw/zinc/82/80/12/856828012.db2.gz JQXUSPOUOUVXLZ-UHFFFAOYSA-N 0 0 412.446 4.264 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(CCOC)cc3)cc2)n1 ZINC000427464520 856832099 /nfs/dbraw/zinc/83/20/99/856832099.db2.gz XASFXNUMRZKUPB-UHFFFAOYSA-N 0 0 410.430 4.045 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000427593259 856881163 /nfs/dbraw/zinc/88/11/63/856881163.db2.gz JLRHEZZQMROMFE-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN O=C(CCc1cc2ccccc2[nH]c1=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427600878 856883909 /nfs/dbraw/zinc/88/39/09/856883909.db2.gz WAQNBHUXIXKFQQ-UHFFFAOYSA-N 0 0 419.359 4.116 20 5 HIBDRN COc1ccc(-c2cncc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)cc1 ZINC000427602107 856884149 /nfs/dbraw/zinc/88/41/49/856884149.db2.gz DKCIERCLOGEKHY-UHFFFAOYSA-N 0 0 403.438 4.470 20 5 HIBDRN COc1cc2cc(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[nH]c2cc1OC ZINC000427606882 856886061 /nfs/dbraw/zinc/88/60/61/856886061.db2.gz OLXYCOBOBCXJFD-UHFFFAOYSA-N 0 0 423.347 4.042 20 5 HIBDRN COc1ccc(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000427607803 856886457 /nfs/dbraw/zinc/88/64/57/856886457.db2.gz VMNOXHTVBGMFTH-UHFFFAOYSA-N 0 0 400.362 4.191 20 5 HIBDRN C[C@@H](Cc1cccc(O)c1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000427637938 856894011 /nfs/dbraw/zinc/89/40/11/856894011.db2.gz RMYNUKIGLDPLPB-INIZCTEOSA-N 0 0 405.454 4.274 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CC[C@H](C)C(F)(F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000427651470 856897897 /nfs/dbraw/zinc/89/78/97/856897897.db2.gz QEPFDRAWOOJOMB-UONOGXRCSA-N 0 0 404.417 4.280 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000427764880 856945550 /nfs/dbraw/zinc/94/55/50/856945550.db2.gz AGFKDKSXBRHXGU-UHFFFAOYSA-N 0 0 401.875 4.337 20 5 HIBDRN COC(=O)c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1Br ZINC000427774988 856949415 /nfs/dbraw/zinc/94/94/15/856949415.db2.gz AMKRVJTUHOETHE-UHFFFAOYSA-N 0 0 419.187 4.142 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)cc(F)cc1[N+](=O)[O-] ZINC000427780161 856951666 /nfs/dbraw/zinc/95/16/66/856951666.db2.gz GIDVMVQYJKJVDG-UHFFFAOYSA-N 0 0 404.304 4.034 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427780895 856951670 /nfs/dbraw/zinc/95/16/70/856951670.db2.gz OLQAZDHATYPZJN-LJQANCHMSA-N 0 0 421.453 4.066 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c1[N+](=O)[O-] ZINC000427782449 856952119 /nfs/dbraw/zinc/95/21/19/856952119.db2.gz NLJHZYMXEAJEQI-UHFFFAOYSA-N 0 0 403.345 4.159 20 5 HIBDRN C[C@H]1[C@@H](CO)CCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000427818446 856968835 /nfs/dbraw/zinc/96/88/35/856968835.db2.gz PCUMLYRTQCXQBH-QWHCGFSZSA-N 0 0 406.891 4.242 20 5 HIBDRN C[C@H]1[C@@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000427822445 856970993 /nfs/dbraw/zinc/97/09/93/856970993.db2.gz QSUCIONHLDGBOB-GXTWGEPZSA-N 0 0 406.891 4.242 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000437503864 862856781 /nfs/dbraw/zinc/85/67/81/862856781.db2.gz FWSKHJFFQVZQNG-YGUOUDRMSA-N 0 0 410.804 4.358 20 5 HIBDRN CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000427900673 856999510 /nfs/dbraw/zinc/99/95/10/856999510.db2.gz ILVCMRUDDRTDPB-ZFWWWQNUSA-N 0 0 406.426 4.330 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccnc(Oc2ccccc2F)c1 ZINC000428029729 857049354 /nfs/dbraw/zinc/04/93/54/857049354.db2.gz FRMVQCYCCOQSIC-UHFFFAOYSA-N 0 0 424.432 4.430 20 5 HIBDRN CS(=O)(=O)CCc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000437522469 862865386 /nfs/dbraw/zinc/86/53/86/862865386.db2.gz ABZSBMADULYONG-UHFFFAOYSA-N 0 0 404.491 4.227 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c(CO)c1)Nc1ccccc1Sc1ccccc1 ZINC000428084307 857067452 /nfs/dbraw/zinc/06/74/52/857067452.db2.gz NHTLXPBHLFEUGM-UHFFFAOYSA-N 0 0 410.451 4.256 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c(CO)c1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000428090291 857068615 /nfs/dbraw/zinc/06/86/15/857068615.db2.gz WMSQTOHEELMVFA-UHFFFAOYSA-N 0 0 405.621 4.065 20 5 HIBDRN COC(=O)[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(OC)cc1 ZINC000428101034 857071792 /nfs/dbraw/zinc/07/17/92/857071792.db2.gz RNXPXUJDLYNTPP-FQEVSTJZSA-N 0 0 412.467 4.336 20 5 HIBDRN C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437527328 862867659 /nfs/dbraw/zinc/86/76/59/862867659.db2.gz KUGWJBOQXKICDA-QRQCRPRQSA-N 0 0 423.469 4.131 20 5 HIBDRN CCOc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC ZINC000428293282 857144353 /nfs/dbraw/zinc/14/43/53/857144353.db2.gz AGEMUBFUSPZJGP-LBPRGKRZSA-N 0 0 408.838 4.452 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC2(C1)CCCC2 ZINC000428449438 857207171 /nfs/dbraw/zinc/20/71/71/857207171.db2.gz VYUMBMBDEGWLND-UHFFFAOYSA-N 0 0 416.481 4.393 20 5 HIBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC[C@@H]2CCC[C@H]21 ZINC000428516470 857235290 /nfs/dbraw/zinc/23/52/90/857235290.db2.gz MSESTLCBMKFXEM-XJKSGUPXSA-N 0 0 411.424 4.231 20 5 HIBDRN C[C@H](C(=O)NCc1nc(-c2ccccc2F)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000428534957 857247808 /nfs/dbraw/zinc/24/78/08/857247808.db2.gz KGXGDPHNDCYZRA-NSHDSACASA-N 0 0 403.410 4.416 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)c1[N+](=O)[O-] ZINC000428596428 857275131 /nfs/dbraw/zinc/27/51/31/857275131.db2.gz GLPHLKZHAQLSDM-UHFFFAOYSA-N 0 0 401.810 4.363 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC[C@@H]1O ZINC000428672702 857294171 /nfs/dbraw/zinc/29/41/71/857294171.db2.gz CVMNOAFMGVONRV-PXAZEXFGSA-N 0 0 406.891 4.242 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC[C@H]1O ZINC000428669286 857294242 /nfs/dbraw/zinc/29/42/42/857294242.db2.gz PLWMOVOQFODROO-MLGOLLRUSA-N 0 0 406.891 4.242 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2cccc(Br)c2)c2ccncc21 ZINC000428673094 857294683 /nfs/dbraw/zinc/29/46/83/857294683.db2.gz SMAHDRTUURHYEI-AWEZNQCLSA-N 0 0 416.275 4.169 20 5 HIBDRN COC[C@H](C)Nc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437589208 862903912 /nfs/dbraw/zinc/90/39/12/862903912.db2.gz JVACYTUTSDJLGS-STQMWFEESA-N 0 0 407.854 4.101 20 5 HIBDRN O=C(N[C@H]1CCCC[C@@H]1O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000428864187 857377395 /nfs/dbraw/zinc/37/73/95/857377395.db2.gz BZUAVPSYVQCJCT-IRXDYDNUSA-N 0 0 406.891 4.433 20 5 HIBDRN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000428877287 857383536 /nfs/dbraw/zinc/38/35/36/857383536.db2.gz UWPJEBDCLHSFSF-UHFFFAOYSA-N 0 0 413.846 4.424 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000428881655 857386598 /nfs/dbraw/zinc/38/65/98/857386598.db2.gz NXUAOXSZIZDEGH-ZDUSSCGKSA-N 0 0 422.869 4.295 20 5 HIBDRN COC[C@H](C)Nc1ccccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000437590836 862906346 /nfs/dbraw/zinc/90/63/46/862906346.db2.gz HZSHMHXJYVHTSY-NSHDSACASA-N 0 0 422.279 4.365 20 5 HIBDRN COc1cc(CN2Cc3ccccc3O[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429126494 857523155 /nfs/dbraw/zinc/52/31/55/857523155.db2.gz IUITWVHARJHDRF-ZDUSSCGKSA-N 0 0 408.401 4.030 20 5 HIBDRN CC(C)(NCc1csc(CNC(=O)c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000429230697 857565259 /nfs/dbraw/zinc/56/52/59/857565259.db2.gz LVQNWSRTAYPHEG-UHFFFAOYSA-N 0 0 410.499 4.006 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCOC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429250957 857574471 /nfs/dbraw/zinc/57/44/71/857574471.db2.gz AJLBRLVSRMZBTG-NFBKMPQASA-N 0 0 423.513 4.332 20 5 HIBDRN C[C@@H]1CC[C@H](N(C)C(=O)c2cc(C(=O)N(C)[C@H]3CC[C@H](C)C3)cc([N+](=O)[O-])c2)C1 ZINC000429255132 857577534 /nfs/dbraw/zinc/57/75/34/857577534.db2.gz MCSOBIFKJKNCER-QXGSTGNESA-N 0 0 401.507 4.116 20 5 HIBDRN C[C@H]1CCc2c(sc3nc(CNC(C)(C)c4ccccc4[N+](=O)[O-])nc(N)c23)C1 ZINC000429263854 857581863 /nfs/dbraw/zinc/58/18/63/857581863.db2.gz AQTWHHRRLXYCAS-LBPRGKRZSA-N 0 0 411.531 4.331 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN(CCc3ccccc3)Cc3cccnc3)n2)cc1 ZINC000429286262 857589806 /nfs/dbraw/zinc/58/98/06/857589806.db2.gz RACKWQXZVVWUDM-UHFFFAOYSA-N 0 0 415.453 4.285 20 5 HIBDRN CSC[C@@H]1CCCN([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000429286584 857591486 /nfs/dbraw/zinc/59/14/86/857591486.db2.gz SDKRPYJRCNWXIY-UONOGXRCSA-N 0 0 420.560 4.120 20 5 HIBDRN CCCc1c(NC(=O)CCOc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000429350093 857615338 /nfs/dbraw/zinc/61/53/38/857615338.db2.gz PJVLAEUHRGLRDL-UHFFFAOYSA-N 0 0 412.421 4.280 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC(O)(C(F)F)CC1 ZINC000429468659 857685622 /nfs/dbraw/zinc/68/56/22/857685622.db2.gz KZMBGQSAWDRGLE-UHFFFAOYSA-N 0 0 407.373 4.011 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC000429497782 857698320 /nfs/dbraw/zinc/69/83/20/857698320.db2.gz YHDKJTNDRAKPFQ-UHFFFAOYSA-N 0 0 420.874 4.368 20 5 HIBDRN CC(=O)c1cccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000429527729 857720443 /nfs/dbraw/zinc/72/04/43/857720443.db2.gz KTYNMNVGEAYPAH-UHFFFAOYSA-N 0 0 416.393 4.495 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2cn3c(n2)CCCC3)cc1OC ZINC000429561632 857751059 /nfs/dbraw/zinc/75/10/59/857751059.db2.gz WUVUHMOSZVULJH-INIZCTEOSA-N 0 0 416.522 4.193 20 5 HIBDRN CC(C)Oc1ccc(N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000429575344 857761945 /nfs/dbraw/zinc/76/19/45/857761945.db2.gz JXMZHENMUWXPPF-UHFFFAOYSA-N 0 0 407.264 4.350 20 5 HIBDRN COc1cc(OC)c(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000429645176 857816278 /nfs/dbraw/zinc/81/62/78/857816278.db2.gz QXHCSYHUCBTZFC-SNVBAGLBSA-N 0 0 424.251 4.257 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)OCCO2 ZINC000429660837 857824144 /nfs/dbraw/zinc/82/41/44/857824144.db2.gz OCFQGKXLZFYVNN-OAHLLOKOSA-N 0 0 401.419 4.038 20 5 HIBDRN CCS[C@H](C)c1noc(CNc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000429779717 857881622 /nfs/dbraw/zinc/88/16/22/857881622.db2.gz BDSWMCRUFIOZJO-SECBINFHSA-N 0 0 401.286 4.475 20 5 HIBDRN CCC(C)(C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000429785793 857884808 /nfs/dbraw/zinc/88/48/08/857884808.db2.gz CVQFMTYKDQEJIA-UHFFFAOYSA-N 0 0 407.517 4.298 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(Cl)c1 ZINC000429809101 857892880 /nfs/dbraw/zinc/89/28/80/857892880.db2.gz MMWRLOFIIWPYHH-UHFFFAOYSA-N 0 0 412.627 4.221 20 5 HIBDRN O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429829085 857900790 /nfs/dbraw/zinc/90/07/90/857900790.db2.gz KVTNGWSXMURIAT-UHFFFAOYSA-N 0 0 414.187 4.498 20 5 HIBDRN Cc1nc(C2(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])CCCCCC2)no1 ZINC000429845613 857908670 /nfs/dbraw/zinc/90/86/70/857908670.db2.gz BCHMXYXEZVIXAM-UHFFFAOYSA-N 0 0 423.267 4.028 20 5 HIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000429848103 857909299 /nfs/dbraw/zinc/90/92/99/857909299.db2.gz POZXMSLCRXHGAH-UHFFFAOYSA-N 0 0 412.627 4.221 20 5 HIBDRN O=C(NCc1csc(Br)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429853679 857910943 /nfs/dbraw/zinc/91/09/43/857910943.db2.gz LRSIWIFMBXFQMQ-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c2cccnc12 ZINC000429854725 857912288 /nfs/dbraw/zinc/91/22/88/857912288.db2.gz QSOBOKNVQRATOX-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN O=C(NCCOc1cccc2ccccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429861131 857915013 /nfs/dbraw/zinc/91/50/13/857915013.db2.gz ASJKCZQVMACIGJ-UHFFFAOYSA-N 0 0 415.243 4.319 20 5 HIBDRN CC(C)(C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1[N+](=O)[O-] ZINC000429925629 857951792 /nfs/dbraw/zinc/95/17/92/857951792.db2.gz NGTAXEPFFYLZJT-UHFFFAOYSA-N 0 0 419.485 4.496 20 5 HIBDRN Cc1nccc(-c2cccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])c2)n1 ZINC000429935399 857958219 /nfs/dbraw/zinc/95/82/19/857958219.db2.gz CPSXHQHSQVAGPC-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN COc1ccc2ccccc2c1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429935398 857958308 /nfs/dbraw/zinc/95/83/08/857958308.db2.gz CPKISTNIQHAZAR-UHFFFAOYSA-N 0 0 415.243 4.449 20 5 HIBDRN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429958764 857969594 /nfs/dbraw/zinc/96/95/94/857969594.db2.gz AWBPYSVBWWGRPU-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN COc1cc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000430097599 858030816 /nfs/dbraw/zinc/03/08/16/858030816.db2.gz UYPZTQMPRUHGRK-CABCVRRESA-N 0 0 410.339 4.022 20 5 HIBDRN Cc1cc(Br)cnc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430104023 858032803 /nfs/dbraw/zinc/03/28/03/858032803.db2.gz QMJARNXLMYETDA-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN Cc1cc(NC(=O)CO[C@H]2CCCc3ccccc32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430121426 858041465 /nfs/dbraw/zinc/04/14/65/858041465.db2.gz GRDZSJVURNCENN-FQEVSTJZSA-N 0 0 406.442 4.122 20 5 HIBDRN O=C(NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc2ccccc2c2cccnc12 ZINC000430136580 858048846 /nfs/dbraw/zinc/04/88/46/858048846.db2.gz WCNDWPXGOVNREC-RCZVLFRGSA-N 0 0 400.453 4.423 20 5 HIBDRN COc1ccccc1-c1ncc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000430225057 858088517 /nfs/dbraw/zinc/08/85/17/858088517.db2.gz IQDUVNXTFBDTFW-UHFFFAOYSA-N 0 0 420.469 4.104 20 5 HIBDRN COCCN(Cc1sccc1Br)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430240624 858093461 /nfs/dbraw/zinc/09/34/61/858093461.db2.gz DQLXAKPVTCNSFX-UHFFFAOYSA-N 0 0 415.309 4.076 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1Br)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000430327502 858122260 /nfs/dbraw/zinc/12/22/60/858122260.db2.gz BVMWUKAFFVVWAE-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000430377457 858139134 /nfs/dbraw/zinc/13/91/34/858139134.db2.gz NZGFILOAVDCVPN-UHFFFAOYSA-N 0 0 417.828 4.318 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430439423 858164043 /nfs/dbraw/zinc/16/40/43/858164043.db2.gz PDTNJCPCZHQJLP-OAQYLSRUSA-N 0 0 423.513 4.059 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430442003 858166762 /nfs/dbraw/zinc/16/67/62/858166762.db2.gz PYJKHSAPOSAGCT-IBGZPJMESA-N 0 0 402.878 4.041 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC000430472052 858183200 /nfs/dbraw/zinc/18/32/00/858183200.db2.gz AHRQGDUOROVKTC-SECBINFHSA-N 0 0 407.213 4.443 20 5 HIBDRN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC000430494780 858199154 /nfs/dbraw/zinc/19/91/54/858199154.db2.gz WZIUOHKGMBGZQA-SNVBAGLBSA-N 0 0 421.240 4.372 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430532626 858208952 /nfs/dbraw/zinc/20/89/52/858208952.db2.gz YMSASOVPNQYDBH-HXUWFJFHSA-N 0 0 408.458 4.015 20 5 HIBDRN CCc1ccc(C(C)(C)CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000430564419 858220155 /nfs/dbraw/zinc/22/01/55/858220155.db2.gz ZYQJJGAMAGETBV-UHFFFAOYSA-N 0 0 422.428 4.475 20 5 HIBDRN CCc1nnc(-c2cccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])c2)o1 ZINC000430630333 858241875 /nfs/dbraw/zinc/24/18/75/858241875.db2.gz YGIZDFGLLXVXFA-UHFFFAOYSA-N 0 0 417.219 4.222 20 5 HIBDRN O=C(CO[C@H]1CCCc2ccccc21)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000430799340 858309648 /nfs/dbraw/zinc/30/96/48/858309648.db2.gz KWTREPBPQRUJEV-SFHVURJKSA-N 0 0 408.376 4.324 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N(CCc2ccccn2)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000430841414 858327638 /nfs/dbraw/zinc/32/76/38/858327638.db2.gz QHIJBXGDNFTYSE-GOSISDBHSA-N 0 0 419.485 4.209 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NC[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000431083771 858439670 /nfs/dbraw/zinc/43/96/70/858439670.db2.gz MMSNQOQNBHIMMD-KGLIPLIRSA-N 0 0 404.417 4.328 20 5 HIBDRN Cc1cc([C@H]2CCCN2C(=O)COc2ccccc2[N+](=O)[O-])ccc1Br ZINC000431127841 858458527 /nfs/dbraw/zinc/45/85/27/858458527.db2.gz LBEGVSCTEKKYHO-MRXNPFEDSA-N 0 0 419.275 4.408 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000431151074 858472253 /nfs/dbraw/zinc/47/22/53/858472253.db2.gz MYTIXHBVRRKDFJ-MRXNPFEDSA-N 0 0 408.227 4.177 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)ccc1[N+](=O)[O-] ZINC000431156373 858475840 /nfs/dbraw/zinc/47/58/40/858475840.db2.gz FRTCWQCAOUVSAZ-HNNXBMFYSA-N 0 0 423.238 4.482 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000431161580 858479524 /nfs/dbraw/zinc/47/95/24/858479524.db2.gz OFAQIVIVWIZDHL-QGZVFWFLSA-N 0 0 423.238 4.239 20 5 HIBDRN O=C(NCCCn1ccc2ccccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431162808 858480318 /nfs/dbraw/zinc/48/03/18/858480318.db2.gz KXDOUZUUMMWBAR-UHFFFAOYSA-N 0 0 402.248 4.132 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431173818 858486316 /nfs/dbraw/zinc/48/63/16/858486316.db2.gz VYEACRBAUWADSX-SECBINFHSA-N 0 0 415.190 4.350 20 5 HIBDRN COc1ccccc1C1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000431175439 858487863 /nfs/dbraw/zinc/48/78/63/858487863.db2.gz OGCDQTFZHNXTOY-UHFFFAOYSA-N 0 0 405.248 4.345 20 5 HIBDRN Cc1nn(C)c2sc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)cc12 ZINC000431179829 858490337 /nfs/dbraw/zinc/49/03/37/858490337.db2.gz HUSIGDMRQMHVLO-UHFFFAOYSA-N 0 0 409.265 4.175 20 5 HIBDRN Cc1c(NC(=O)c2ccccc2-n2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000431184956 858492880 /nfs/dbraw/zinc/49/28/80/858492880.db2.gz WQPXAYPFKUXSKA-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1cc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)ccc1Br ZINC000431183526 858493179 /nfs/dbraw/zinc/49/31/79/858493179.db2.gz XZTKHQORKYWFEY-QGZVFWFLSA-N 0 0 404.264 4.346 20 5 HIBDRN CCc1ccc([C@H](C)NC(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1 ZINC000431223389 858514725 /nfs/dbraw/zinc/51/47/25/858514725.db2.gz RMEIUHPWXZZYPB-LBPRGKRZSA-N 0 0 407.264 4.176 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000431232436 858520203 /nfs/dbraw/zinc/52/02/03/858520203.db2.gz YAUDHKYNSFDSTO-UHFFFAOYSA-N 0 0 415.627 4.037 20 5 HIBDRN CC(C)CO[C@@H](C)c1noc(COc2c(Br)cccc2[N+](=O)[O-])n1 ZINC000431237427 858523255 /nfs/dbraw/zinc/52/32/55/858523255.db2.gz OECBJJHNZVRURA-JTQLQIEISA-N 0 0 400.229 4.053 20 5 HIBDRN Cc1nc2ccc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)cc2n1C ZINC000431237052 858523295 /nfs/dbraw/zinc/52/32/95/858523295.db2.gz KETARNXLWFFWTG-UHFFFAOYSA-N 0 0 403.236 4.113 20 5 HIBDRN Cc1c(NC(=O)c2cncnc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000431239119 858524125 /nfs/dbraw/zinc/52/41/25/858524125.db2.gz WISJDIDIKPVZCQ-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN Cc1c(NC(=O)c2ccncc2Br)cc(Br)cc1[N+](=O)[O-] ZINC000431248517 858530035 /nfs/dbraw/zinc/53/00/35/858530035.db2.gz RFVRYBBKSAJOJL-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1[N+](=O)[O-] ZINC000431250359 858531085 /nfs/dbraw/zinc/53/10/85/858531085.db2.gz NMPXLWWMCUAFLJ-UHFFFAOYSA-N 0 0 419.485 4.496 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000437700713 863034176 /nfs/dbraw/zinc/03/41/76/863034176.db2.gz CQIGNPVXGUUHQZ-MSOLQXFVSA-N 0 0 419.428 4.374 20 5 HIBDRN O=[N+]([O-])c1cc(CSCc2cn(-c3ccc(Cl)cc3)nn2)c2c(c1)COCO2 ZINC000431319213 858562131 /nfs/dbraw/zinc/56/21/31/858562131.db2.gz PFAQRXLUFFBHJO-UHFFFAOYSA-N 0 0 418.862 4.129 20 5 HIBDRN O=[N+]([O-])c1cc(CSCc2ccc(OCC(F)(F)F)nc2)c2c(c1)COCO2 ZINC000431334021 858570048 /nfs/dbraw/zinc/57/00/48/858570048.db2.gz UPXVFGADQHQGJV-UHFFFAOYSA-N 0 0 416.377 4.231 20 5 HIBDRN CC(C)(NC(=O)Nc1cccc(CN2CCCCC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000431398991 858595057 /nfs/dbraw/zinc/59/50/57/858595057.db2.gz HICCVODXDYZRHK-UHFFFAOYSA-N 0 0 410.474 4.164 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000431457353 858626945 /nfs/dbraw/zinc/62/69/45/858626945.db2.gz LOQYPJNTJMOLAL-UHFFFAOYSA-N 0 0 405.223 4.426 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000437714186 863046029 /nfs/dbraw/zinc/04/60/29/863046029.db2.gz CESCCXXPLIUSLI-IBGZPJMESA-N 0 0 413.474 4.167 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(OCC2CCCC2)CC1 ZINC000431479317 858637204 /nfs/dbraw/zinc/63/72/04/858637204.db2.gz XKMSUWZLXVUQCN-UHFFFAOYSA-N 0 0 411.296 4.169 20 5 HIBDRN O=C(NCc1csc(-c2ccccc2)n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431482039 858637853 /nfs/dbraw/zinc/63/78/53/858637853.db2.gz JRYIWSBUESLQBM-UHFFFAOYSA-N 0 0 418.272 4.411 20 5 HIBDRN CCN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[C@@H](C)c1cccc(OC)c1 ZINC000431557595 858669124 /nfs/dbraw/zinc/66/91/24/858669124.db2.gz PMLYIPBGMYAEBY-HNNXBMFYSA-N 0 0 409.442 4.140 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000431644586 858708987 /nfs/dbraw/zinc/70/89/87/858708987.db2.gz UAAHAEUEEJPERJ-INIZCTEOSA-N 0 0 423.473 4.250 20 5 HIBDRN CC(C)C(=O)Nc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431651947 858714368 /nfs/dbraw/zinc/71/43/68/858714368.db2.gz QFKIKXQXTJWETE-UHFFFAOYSA-N 0 0 406.236 4.204 20 5 HIBDRN C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000431664245 858723344 /nfs/dbraw/zinc/72/33/44/858723344.db2.gz KRCPCOOBQGRQHO-GFCCVEGCSA-N 0 0 413.409 4.079 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000431668596 858726235 /nfs/dbraw/zinc/72/62/35/858726235.db2.gz ZQERMZAYXJGAKJ-GHTZIAJQSA-N 0 0 411.502 4.398 20 5 HIBDRN COc1ccc(OC(F)F)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431774949 858805811 /nfs/dbraw/zinc/80/58/11/858805811.db2.gz HCEGZWAFBZVYSH-UHFFFAOYSA-N 0 0 417.162 4.220 20 5 HIBDRN COCCCCN(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431782192 858809391 /nfs/dbraw/zinc/80/93/91/858809391.db2.gz FAMKVNWVVUHYJM-UHFFFAOYSA-N 0 0 421.291 4.426 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NCc2ccc3c(c2)COC3)cc1[N+](=O)[O-])c1ccccn1 ZINC000431883114 858854711 /nfs/dbraw/zinc/85/47/11/858854711.db2.gz MQZGPKSYTRGHGP-HNNXBMFYSA-N 0 0 418.453 4.123 20 5 HIBDRN COc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431931837 858876265 /nfs/dbraw/zinc/87/62/65/858876265.db2.gz SXAGWRWXRYYZMC-INIZCTEOSA-N 0 0 419.275 4.213 20 5 HIBDRN CC(C)(NC(=O)NCCCc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000431973636 858896325 /nfs/dbraw/zinc/89/63/25/858896325.db2.gz OFTVGGMJRAIOMF-UHFFFAOYSA-N 0 0 402.520 4.097 20 5 HIBDRN CC1(C)CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000432147072 859015903 /nfs/dbraw/zinc/01/59/03/859015903.db2.gz DZBCXWZKVRLDNI-INIZCTEOSA-N 0 0 423.391 4.069 20 5 HIBDRN COC(=O)c1ccc(-c2nc(Cn3nc(C)c4cc([N+](=O)[O-])ccc43)cs2)cc1 ZINC000432238297 859061898 /nfs/dbraw/zinc/06/18/98/859061898.db2.gz PCGFMLAINKVYGX-UHFFFAOYSA-N 0 0 408.439 4.211 20 5 HIBDRN Cc1cccc(COc2ccc(CNC(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])cc2)c1 ZINC000432269087 859077544 /nfs/dbraw/zinc/07/75/44/859077544.db2.gz QBKZQTBVPIVOKZ-UHFFFAOYSA-N 0 0 408.458 4.259 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1CC(=O)c1cccs1 ZINC000432297991 859090387 /nfs/dbraw/zinc/09/03/87/859090387.db2.gz UTMPGGAQMMQTPH-HIFRSBDPSA-N 0 0 404.513 4.401 20 5 HIBDRN C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432304996 859094192 /nfs/dbraw/zinc/09/41/92/859094192.db2.gz FRMKYFOIXZIBGW-GFCCVEGCSA-N 0 0 404.264 4.233 20 5 HIBDRN CCO[C@H](C)c1nc(CN2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cs1 ZINC000432310465 859097130 /nfs/dbraw/zinc/09/71/30/859097130.db2.gz BFKRRKKZYOBQCG-CYBMUJFWSA-N 0 0 410.927 4.124 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c(Cl)c1 ZINC000432309416 859097558 /nfs/dbraw/zinc/09/75/58/859097558.db2.gz ZTWUHDCXZYHPCP-GFCCVEGCSA-N 0 0 401.271 4.080 20 5 HIBDRN CCS(=O)(=O)c1ccc(N2CCC(Nc3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000432333916 859107054 /nfs/dbraw/zinc/10/70/54/859107054.db2.gz DOOYYSSSBQZZPV-UHFFFAOYSA-N 0 0 423.922 4.123 20 5 HIBDRN Cc1cccc(Cn2nccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000432411844 859151347 /nfs/dbraw/zinc/15/13/47/859151347.db2.gz BXJHOXZCEDJQEZ-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN C[C@@H]1COCC[C@@H]1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000432443586 859166173 /nfs/dbraw/zinc/16/61/73/859166173.db2.gz ZBJKORYKZQYDTL-DYVFJYSZSA-N 0 0 403.866 4.015 20 5 HIBDRN O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000432477419 859183507 /nfs/dbraw/zinc/18/35/07/859183507.db2.gz KWNQYWJBQURDKA-QGZVFWFLSA-N 0 0 423.391 4.235 20 5 HIBDRN CCCc1c(NC(=O)CCOc2ccccc2[N+](=O)[O-])cnn1-c1ccc(C)cc1 ZINC000432553707 859223747 /nfs/dbraw/zinc/22/37/47/859223747.db2.gz AXVCNLCSIVRVGT-UHFFFAOYSA-N 0 0 408.458 4.449 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3cc4[nH]ccc4cc3C)CC2)ccc1[N+](=O)[O-] ZINC000432601270 859249632 /nfs/dbraw/zinc/24/96/32/859249632.db2.gz JJLFUEHDRFZEMT-UHFFFAOYSA-N 0 0 423.473 4.137 20 5 HIBDRN COc1cc(COc2cnn(Cc3ccccc3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000432672854 859285092 /nfs/dbraw/zinc/28/50/92/859285092.db2.gz ZUFNENQIJCORKZ-UHFFFAOYSA-N 0 0 419.384 4.071 20 5 HIBDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000432770492 859350536 /nfs/dbraw/zinc/35/05/36/859350536.db2.gz GYGUSXWKYNRUJE-UHFFFAOYSA-N 0 0 412.490 4.346 20 5 HIBDRN CC(C)(NC(=O)Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1[N+](=O)[O-] ZINC000432825364 859375430 /nfs/dbraw/zinc/37/54/30/859375430.db2.gz SITXQXMOIHPAHR-UHFFFAOYSA-N 0 0 410.474 4.164 20 5 HIBDRN CCOc1cccc(N2CCN(C(=O)c3cc4ccccc4s3)CC2)c1[N+](=O)[O-] ZINC000432921841 859431296 /nfs/dbraw/zinc/43/12/96/859431296.db2.gz HBHFTOXRXRQCIL-UHFFFAOYSA-N 0 0 411.483 4.171 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1ccco1)Cc1ccco1 ZINC000432925177 859433869 /nfs/dbraw/zinc/43/38/69/859433869.db2.gz QGBRSZMGTROVNB-UHFFFAOYSA-N 0 0 419.231 4.315 20 5 HIBDRN O=C(CN1CCC[C@H](c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433043581 859497227 /nfs/dbraw/zinc/49/72/27/859497227.db2.gz JSNDYRFYEJTERG-HNNXBMFYSA-N 0 0 418.291 4.175 20 5 HIBDRN C[C@H](c1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000433139994 859536639 /nfs/dbraw/zinc/53/66/39/859536639.db2.gz DLHLWJUAJQBRLG-MRXNPFEDSA-N 0 0 412.490 4.045 20 5 HIBDRN COCc1cccc2sc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])nc21 ZINC000433181164 859557706 /nfs/dbraw/zinc/55/77/06/859557706.db2.gz XCOALMLYKWQOEU-UHFFFAOYSA-N 0 0 400.460 4.408 20 5 HIBDRN CC(C)[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000433469114 859718028 /nfs/dbraw/zinc/71/80/28/859718028.db2.gz VSEAUBPWUMEKID-INIZCTEOSA-N 0 0 400.859 4.405 20 5 HIBDRN O=C(COc1cc(F)cc([N+](=O)[O-])c1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000433628508 859816614 /nfs/dbraw/zinc/81/66/14/859816614.db2.gz MGSXXDRVGDVDQC-NRFANRHFSA-N 0 0 412.442 4.349 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2C(=O)COc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000433663523 859829384 /nfs/dbraw/zinc/82/93/84/859829384.db2.gz JHXDNKRMZRANCQ-FQEVSTJZSA-N 0 0 402.422 4.265 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000433683365 859837100 /nfs/dbraw/zinc/83/71/00/859837100.db2.gz CUKQHXXKTAIZHG-HNNXBMFYSA-N 0 0 420.516 4.113 20 5 HIBDRN CCOC(=O)c1cc(NCC2(c3ccc(F)cc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000433695190 859840353 /nfs/dbraw/zinc/84/03/53/859840353.db2.gz UPERDTHTCFGDDX-UHFFFAOYSA-N 0 0 402.422 4.071 20 5 HIBDRN CSC1(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000433703053 859844513 /nfs/dbraw/zinc/84/45/13/859844513.db2.gz MIYNYOLPDJAUHF-UHFFFAOYSA-N 0 0 405.907 4.486 20 5 HIBDRN CCOC(=O)c1cc(NCc2cccc(NC(=O)c3ccncc3)c2)ccc1[N+](=O)[O-] ZINC000433727888 859858171 /nfs/dbraw/zinc/85/81/71/859858171.db2.gz QULUSFFHPULRBZ-UHFFFAOYSA-N 0 0 420.425 4.031 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H](CC(F)(F)F)C3)cc2[N+](=O)[O-])C1 ZINC000433730686 859860876 /nfs/dbraw/zinc/86/08/76/859860876.db2.gz UVGXHDJTPFGNMY-QLFBSQMISA-N 0 0 413.440 4.492 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000433735617 859864690 /nfs/dbraw/zinc/86/46/90/859864690.db2.gz BTNLBYWGZAGCHZ-JTQLQIEISA-N 0 0 413.318 4.217 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCc2ccccc2COCc2ccccc2)c1[N+](=O)[O-] ZINC000433837124 859924537 /nfs/dbraw/zinc/92/45/37/859924537.db2.gz CPZDRENVVIBENY-UHFFFAOYSA-N 0 0 408.458 4.088 20 5 HIBDRN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000433945381 859992406 /nfs/dbraw/zinc/99/24/06/859992406.db2.gz GDCSYUZGLYZMPI-UHFFFAOYSA-N 0 0 419.441 4.375 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000434000619 860030323 /nfs/dbraw/zinc/03/03/23/860030323.db2.gz BZBGUAAUQRIHAW-INIZCTEOSA-N 0 0 417.893 4.050 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC000434004918 860034332 /nfs/dbraw/zinc/03/43/32/860034332.db2.gz ZLUWEHYUJCGWRI-OAHLLOKOSA-N 0 0 402.454 4.314 20 5 HIBDRN O=C(NCc1nccn1CCCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000434011454 860038286 /nfs/dbraw/zinc/03/82/86/860038286.db2.gz LRJPWILNERGKLN-UHFFFAOYSA-N 0 0 413.865 4.399 20 5 HIBDRN CC[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])Oc1ccccc1C(F)(F)F ZINC000434026014 860048283 /nfs/dbraw/zinc/04/82/83/860048283.db2.gz QTNZYFWAMCLDKN-LLVKDONJSA-N 0 0 414.384 4.048 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N(CCCO)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000434037836 860055219 /nfs/dbraw/zinc/05/52/19/860055219.db2.gz RCEGVAYFCMDQAE-OAHLLOKOSA-N 0 0 405.882 4.212 20 5 HIBDRN CCOc1ccc2c(c1)CCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC000434098243 860102869 /nfs/dbraw/zinc/10/28/69/860102869.db2.gz QCJAJGSTQJDFCV-UHFFFAOYSA-N 0 0 424.375 4.133 20 5 HIBDRN CC(C)[C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccnc1 ZINC000434167244 860162003 /nfs/dbraw/zinc/16/20/03/860162003.db2.gz KEAXWJINJGEYEY-MRXNPFEDSA-N 0 0 424.423 4.367 20 5 HIBDRN CC(C)[C@@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000434169650 860164188 /nfs/dbraw/zinc/16/41/88/860164188.db2.gz KQKWERYVHNEMEH-FXAWDEMLSA-N 0 0 410.518 4.396 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(C)Cc2cc(Cl)ccc2F)c(C)c([N+](=O)[O-])c1 ZINC000434176245 860168763 /nfs/dbraw/zinc/16/87/63/860168763.db2.gz YWPLVPSPPFSGNE-UHFFFAOYSA-N 0 0 409.801 4.146 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000434187366 860177753 /nfs/dbraw/zinc/17/77/53/860177753.db2.gz AULGJQSBMFJPGQ-SFHVURJKSA-N 0 0 412.421 4.108 20 5 HIBDRN CC(=O)Nc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1F ZINC000434246647 860226561 /nfs/dbraw/zinc/22/65/61/860226561.db2.gz UKOPAVDZXUMNPH-UHFFFAOYSA-N 0 0 414.418 4.377 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000434329413 860290784 /nfs/dbraw/zinc/29/07/84/860290784.db2.gz YQTUWAPKPFKNMS-WBMJQRKESA-N 0 0 420.453 4.118 20 5 HIBDRN CCCOc1cccc(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000434330404 860291536 /nfs/dbraw/zinc/29/15/36/860291536.db2.gz MSKGEAGVAWKERJ-UHFFFAOYSA-N 0 0 414.505 4.302 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nccn2CCCc2ccccc2)c1 ZINC000434376514 860321748 /nfs/dbraw/zinc/32/17/48/860321748.db2.gz DZMQCCLRRVHPFO-UHFFFAOYSA-N 0 0 410.499 4.076 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000434500043 860375495 /nfs/dbraw/zinc/37/54/95/860375495.db2.gz PPWCCPFWDNDDPR-SFHVURJKSA-N 0 0 408.502 4.185 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CSc3n[nH]c(COc4ccc(Cl)cc4)n3)nc2c1 ZINC000434793035 860495930 /nfs/dbraw/zinc/49/59/30/860495930.db2.gz GTNYIYWIPFUJHQ-UHFFFAOYSA-N 0 0 417.834 4.379 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CSc3nc4cc(Br)cnc4[nH]3)nc2c1 ZINC000434798565 860498649 /nfs/dbraw/zinc/49/86/49/860498649.db2.gz JIKZSQWJHSQFLB-UHFFFAOYSA-N 0 0 406.221 4.062 20 5 HIBDRN CCn1c(=O)c2c(C)c(C)sc2nc1SCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434805234 860501021 /nfs/dbraw/zinc/50/10/21/860501021.db2.gz VKRNVOKZKUZPNZ-UHFFFAOYSA-N 0 0 416.484 4.436 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(OCC2CCCC2)CC1 ZINC000434895339 860540981 /nfs/dbraw/zinc/54/09/81/860540981.db2.gz JLHKBIVFTFDUAF-CQSZACIVSA-N 0 0 409.914 4.246 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000435072568 860628864 /nfs/dbraw/zinc/62/88/64/860628864.db2.gz FWCXCUHAAAPCQM-UHFFFAOYSA-N 0 0 421.457 4.245 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000467752446 881563092 /nfs/dbraw/zinc/56/30/92/881563092.db2.gz LKSRGRRSSTZEFA-STCFGPAYSA-N 0 0 422.500 4.222 20 5 HIBDRN CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000435274683 860712555 /nfs/dbraw/zinc/71/25/55/860712555.db2.gz LITOXRKSRWECJM-KRWDZBQOSA-N 0 0 407.829 4.182 20 5 HIBDRN COC(=O)C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000435277261 860714328 /nfs/dbraw/zinc/71/43/28/860714328.db2.gz CCKQXYJIDVSVGA-HNNXBMFYSA-N 0 0 418.833 4.208 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000467756182 881571590 /nfs/dbraw/zinc/57/15/90/881571590.db2.gz UFCYFMBQNFIKTG-JWDQPFGJSA-N 0 0 412.939 4.128 20 5 HIBDRN Cc1c(NC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000435326204 860737554 /nfs/dbraw/zinc/73/75/54/860737554.db2.gz CBFMPDFSIYSFRZ-LLVKDONJSA-N 0 0 422.279 4.466 20 5 HIBDRN Cc1c(NC(=O)N(C)CC2(O)CCCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435327647 860739116 /nfs/dbraw/zinc/73/91/16/860739116.db2.gz IBXYMIQSLQXDOS-UHFFFAOYSA-N 0 0 414.300 4.215 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](CCO)C2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435327570 860739298 /nfs/dbraw/zinc/73/92/98/860739298.db2.gz HTRFFYFKTISWAF-AWEZNQCLSA-N 0 0 414.300 4.119 20 5 HIBDRN CCc1noc(CC)c1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435327564 860739335 /nfs/dbraw/zinc/73/93/35/860739335.db2.gz HRBHZIHZUHUZIA-UHFFFAOYSA-N 0 0 411.256 4.100 20 5 HIBDRN CS[C@@H]1CCC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435329597 860740626 /nfs/dbraw/zinc/74/06/26/860740626.db2.gz QCLFSBVNJBAWHK-NWDGAFQWSA-N 0 0 402.314 4.461 20 5 HIBDRN Cc1c(NC(=O)NCCC[C@H]2CCCC[C@H]2O)cc(Br)cc1[N+](=O)[O-] ZINC000435328977 860740826 /nfs/dbraw/zinc/74/08/26/860740826.db2.gz NTRVYJNTHZMRPU-MLGOLLRUSA-N 0 0 414.300 4.119 20 5 HIBDRN Cc1c(NC(=O)NCc2ccnc(OC(C)C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000435329622 860741692 /nfs/dbraw/zinc/74/16/92/860741692.db2.gz QFRNOHANNRJIRV-UHFFFAOYSA-N 0 0 423.267 4.170 20 5 HIBDRN Cc1c(NC(=O)NCc2ccc(F)cc2F)cc(Br)cc1[N+](=O)[O-] ZINC000435330557 860741718 /nfs/dbraw/zinc/74/17/18/860741718.db2.gz UISMBHIVKHFYJB-UHFFFAOYSA-N 0 0 400.179 4.266 20 5 HIBDRN Cc1cc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)nn1[C@H](C)C1CC1 ZINC000435330735 860742286 /nfs/dbraw/zinc/74/22/86/860742286.db2.gz VUMIAYDRCABBOX-LLVKDONJSA-N 0 0 422.283 4.786 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](C)CNc2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000435331224 860742373 /nfs/dbraw/zinc/74/23/73/860742373.db2.gz ZHJOKFRVFPAHNC-NSHDSACASA-N 0 0 407.268 4.288 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc(Br)cc1[N+](=O)[O-] ZINC000435333986 860744800 /nfs/dbraw/zinc/74/48/00/860744800.db2.gz VIUFVEIXYDHUSG-WQVCFCJDSA-N 0 0 424.295 4.135 20 5 HIBDRN Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cnn1-c1ccccc1 ZINC000435350841 860753271 /nfs/dbraw/zinc/75/32/71/860753271.db2.gz QARVTRGLBGQHMY-UHFFFAOYSA-N 0 0 415.247 4.033 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435356742 860757508 /nfs/dbraw/zinc/75/75/08/860757508.db2.gz GZXMCCHZEBXZAT-SNVBAGLBSA-N 0 0 415.393 4.099 20 5 HIBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435358211 860758731 /nfs/dbraw/zinc/75/87/31/860758731.db2.gz YNCWVFCOJZVOMM-VIFPVBQESA-N 0 0 403.357 4.229 20 5 HIBDRN CC(C)c1cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 ZINC000435365688 860764313 /nfs/dbraw/zinc/76/43/13/860764313.db2.gz VHQCDHYYHYBCSN-UHFFFAOYSA-N 0 0 416.441 4.342 20 5 HIBDRN CC(C)(C)C(=O)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435441569 860800024 /nfs/dbraw/zinc/80/00/24/860800024.db2.gz CTWWJUHMAWWKRF-UHFFFAOYSA-N 0 0 407.517 4.298 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)cc1OC ZINC000435443769 860800608 /nfs/dbraw/zinc/80/06/08/860800608.db2.gz PYUICHJPMGPFNQ-UHFFFAOYSA-N 0 0 410.430 4.057 20 5 HIBDRN CC[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435506946 860827568 /nfs/dbraw/zinc/82/75/68/860827568.db2.gz XXVCKMYEWHAFPI-NEPJUHHUSA-N 0 0 407.517 4.297 20 5 HIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000435617098 860920888 /nfs/dbraw/zinc/92/08/88/860920888.db2.gz MHOZQIKIRQWAOQ-SFHVURJKSA-N 0 0 419.485 4.475 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(OC)c3[N+](=O)[O-])cc2)cc1 ZINC000435652816 860935614 /nfs/dbraw/zinc/93/56/14/860935614.db2.gz COUYDKUJLSXSGF-UHFFFAOYSA-N 0 0 421.409 4.117 20 5 HIBDRN COc1cccc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c1[N+](=O)[O-] ZINC000435664678 860943629 /nfs/dbraw/zinc/94/36/29/860943629.db2.gz SJXXCBBGDKRBPU-UHFFFAOYSA-N 0 0 402.410 4.479 20 5 HIBDRN COc1cccc(C(=O)NC(C)(C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000435735740 861017399 /nfs/dbraw/zinc/01/73/99/861017399.db2.gz PQFAVFHVAHFMGH-UHFFFAOYSA-N 0 0 407.264 4.117 20 5 HIBDRN COc1cccc(C(=O)N[C@@H](COCc2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000435817708 861082162 /nfs/dbraw/zinc/08/21/62/861082162.db2.gz PLCIMGUDTPUVMW-FQEVSTJZSA-N 0 0 406.438 4.291 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1[N+](=O)[O-] ZINC000435821333 861086972 /nfs/dbraw/zinc/08/69/72/861086972.db2.gz CNQURNPMEGRLAM-UHFFFAOYSA-N 0 0 409.348 4.428 20 5 HIBDRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435829108 861093324 /nfs/dbraw/zinc/09/33/24/861093324.db2.gz WOCIQXUOBIGCHK-UHFFFAOYSA-N 0 0 415.424 4.200 20 5 HIBDRN COc1cccc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000435832678 861094661 /nfs/dbraw/zinc/09/46/61/861094661.db2.gz BLWAUCSKPZJSDO-UHFFFAOYSA-N 0 0 408.404 4.240 20 5 HIBDRN CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435844426 861104523 /nfs/dbraw/zinc/10/45/23/861104523.db2.gz IPPCHWQYPVQYPP-HNNXBMFYSA-N 0 0 419.528 4.441 20 5 HIBDRN CC1(C)CCC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435844428 861104725 /nfs/dbraw/zinc/10/47/25/861104725.db2.gz IPPCHWQYPVQYPP-OAHLLOKOSA-N 0 0 419.528 4.441 20 5 HIBDRN CC1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCC1 ZINC000435850225 861109095 /nfs/dbraw/zinc/10/90/95/861109095.db2.gz CSTKVTAWKXYXNK-UHFFFAOYSA-N 0 0 405.501 4.052 20 5 HIBDRN COc1cccc(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c1[N+](=O)[O-] ZINC000435878737 861137934 /nfs/dbraw/zinc/13/79/34/861137934.db2.gz FOYXJJNPAUUCRT-UHFFFAOYSA-N 0 0 421.438 4.165 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000435884652 861142435 /nfs/dbraw/zinc/14/24/35/861142435.db2.gz VMQIVCDDIVTGER-UHFFFAOYSA-N 0 0 423.391 4.447 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2c(F)cc(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000435902801 861161162 /nfs/dbraw/zinc/16/11/62/861161162.db2.gz QGMFZCPOSGHJFB-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)c1[N+](=O)[O-] ZINC000435919594 861180606 /nfs/dbraw/zinc/18/06/06/861180606.db2.gz ZKQFFJROHWLAQL-UHFFFAOYSA-N 0 0 415.409 4.308 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)C1CC1 ZINC000437762331 863082573 /nfs/dbraw/zinc/08/25/73/863082573.db2.gz UQAOOVSJKSHHAI-UHFFFAOYSA-N 0 0 422.485 4.302 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(Cl)c1 ZINC000437788574 863106475 /nfs/dbraw/zinc/10/64/75/863106475.db2.gz UKKAKRPWDNOCHY-UHFFFAOYSA-N 0 0 402.838 4.403 20 5 HIBDRN C[C@H](c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)N1CCOCC1 ZINC000437801067 863121063 /nfs/dbraw/zinc/12/10/63/863121063.db2.gz NSBHWLIYXJLJPD-QGZVFWFLSA-N 0 0 424.501 4.185 20 5 HIBDRN O=C(Nc1ccn(-c2ccccc2Cl)n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437808675 863134699 /nfs/dbraw/zinc/13/46/99/863134699.db2.gz ZZUCFGVIIMWWHQ-UHFFFAOYSA-N 0 0 411.849 4.630 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000437889054 863253802 /nfs/dbraw/zinc/25/38/02/863253802.db2.gz AFBVHGXFJGYLNT-GOEBONIOSA-N 0 0 424.288 4.001 20 5 HIBDRN O=C(NCCc1ccc(Br)s1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437926467 863302324 /nfs/dbraw/zinc/30/23/24/863302324.db2.gz LBLUMYBSXFNDQO-UHFFFAOYSA-N 0 0 424.320 4.336 20 5 HIBDRN O=C(Nc1ccccc1NC(=O)N1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437935371 863311021 /nfs/dbraw/zinc/31/10/21/863311021.db2.gz OZTDARZZNCYPTI-UHFFFAOYSA-N 0 0 422.363 4.494 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1nc(Cc2ccccc2)no1 ZINC000437992682 863354324 /nfs/dbraw/zinc/35/43/24/863354324.db2.gz BMYIEBWOKQHDHT-OAHLLOKOSA-N 0 0 421.457 4.004 20 5 HIBDRN CO[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000437993105 863355786 /nfs/dbraw/zinc/35/57/86/863355786.db2.gz CQPWFKBPLJSLJM-LJQANCHMSA-N 0 0 403.866 4.310 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437999584 863360668 /nfs/dbraw/zinc/36/06/68/863360668.db2.gz ORCGHTOZGJYSLS-RBBKRZOGSA-N 0 0 409.486 4.498 20 5 HIBDRN Cc1ccccc1C1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1 ZINC000438006148 863366259 /nfs/dbraw/zinc/36/62/59/863366259.db2.gz MOZUKCWPUQROJX-UHFFFAOYSA-N 0 0 423.513 4.326 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC ZINC000438018149 863377582 /nfs/dbraw/zinc/37/75/82/863377582.db2.gz YDPPRDTZHSVQCC-HNNXBMFYSA-N 0 0 413.474 4.437 20 5 HIBDRN O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438044480 863406895 /nfs/dbraw/zinc/40/68/95/863406895.db2.gz MTCYYFJTGZEVIZ-RBBKRZOGSA-N 0 0 409.486 4.407 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000438052074 863418262 /nfs/dbraw/zinc/41/82/62/863418262.db2.gz CXBDJYGZLFMIEY-UHFFFAOYSA-N 0 0 404.348 4.179 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000467837492 881671011 /nfs/dbraw/zinc/67/10/11/881671011.db2.gz CFDPDLVBLOMYPJ-HAQNSBGRSA-N 0 0 423.252 4.349 20 5 HIBDRN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438146661 863565827 /nfs/dbraw/zinc/56/58/27/863565827.db2.gz OVNKHNFJOAZHMG-PVRZRQTBSA-N 0 0 412.489 4.224 20 5 HIBDRN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1Oc2ccccc2[C@H]1C ZINC000438146665 863566223 /nfs/dbraw/zinc/56/62/23/863566223.db2.gz OVNKHNFJOAZHMG-XJCBTKLQSA-N 0 0 412.489 4.224 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000438193011 863620140 /nfs/dbraw/zinc/62/01/40/863620140.db2.gz VDDIOPUEQCTRIA-UHFFFAOYSA-N 0 0 400.303 4.207 20 5 HIBDRN O=C1[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1c1cc(Cl)ccc1Cl ZINC000438236259 863681447 /nfs/dbraw/zinc/68/14/47/863681447.db2.gz HLZIFSYZJKWCQE-ZDUSSCGKSA-N 0 0 419.224 4.472 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2c(C)cc(=O)n(-c3ccccc3)c2C)cc1[N+](=O)[O-] ZINC000438237896 863685158 /nfs/dbraw/zinc/68/51/58/863685158.db2.gz JDSSEMPEHVHRBH-INIZCTEOSA-N 0 0 405.454 4.162 20 5 HIBDRN C[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000438262753 863728831 /nfs/dbraw/zinc/72/88/31/863728831.db2.gz WOAPOXZKWLSZEO-SJCJKPOMSA-N 0 0 421.375 4.162 20 5 HIBDRN O=C(c1csc(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000467848434 881693231 /nfs/dbraw/zinc/69/32/31/881693231.db2.gz CENQQPYYDYQWJT-UHFFFAOYSA-N 0 0 419.812 4.291 20 5 HIBDRN O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000467850750 881697811 /nfs/dbraw/zinc/69/78/11/881697811.db2.gz AHCLHRKLMUOESA-UHFFFAOYSA-N 0 0 424.881 4.148 20 5 HIBDRN CCSCc1cccc(NC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000438386960 863840145 /nfs/dbraw/zinc/84/01/45/863840145.db2.gz KLWINYGIWFUNHL-UHFFFAOYSA-N 0 0 419.503 4.229 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)cc1OC ZINC000467851715 881701334 /nfs/dbraw/zinc/70/13/34/881701334.db2.gz MPTKTPWPZXDIOP-UHFFFAOYSA-N 0 0 422.840 4.471 20 5 HIBDRN C[C@H](N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1(C)CC1 ZINC000438451899 863876515 /nfs/dbraw/zinc/87/65/15/863876515.db2.gz SVXJQXTYHYNPCN-ZDUSSCGKSA-N 0 0 413.440 4.477 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000438462096 863884334 /nfs/dbraw/zinc/88/43/34/863884334.db2.gz RSWNIHGMTAOXKC-NEPJUHHUSA-N 0 0 404.385 4.101 20 5 HIBDRN CC(C)N(C)c1ccccc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000438466523 863888716 /nfs/dbraw/zinc/88/87/16/863888716.db2.gz QFIXWAXFMDNURP-UHFFFAOYSA-N 0 0 406.280 4.132 20 5 HIBDRN COc1ccc(CC(C)(C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000438531985 863957859 /nfs/dbraw/zinc/95/78/59/863957859.db2.gz JJCRAFAZNJIXHT-ZDUSSCGKSA-N 0 0 406.866 4.162 20 5 HIBDRN COc1ccc(-c2nc(CN3CCc4ccc([N+](=O)[O-])cc4C3)cs2)c(OC)c1 ZINC000438535175 863960908 /nfs/dbraw/zinc/96/09/08/863960908.db2.gz XUJNFXYZHNMCDH-UHFFFAOYSA-N 0 0 411.483 4.294 20 5 HIBDRN COC(=O)CC1(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCC1 ZINC000467861866 881714903 /nfs/dbraw/zinc/71/49/03/881714903.db2.gz FQUASTHBQSRNEQ-UHFFFAOYSA-N 0 0 403.460 4.170 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000467864467 881719421 /nfs/dbraw/zinc/71/94/21/881719421.db2.gz QWQDQBDDSXZLMC-UHFFFAOYSA-N 0 0 421.840 4.074 20 5 HIBDRN Cc1cc(C)cc(OCc2noc(CN(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)c1 ZINC000438626148 864054609 /nfs/dbraw/zinc/05/46/09/864054609.db2.gz HNLZILAXHNLRQL-UHFFFAOYSA-N 0 0 408.458 4.338 20 5 HIBDRN CCCOc1cc(C)ccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000438665753 864118756 /nfs/dbraw/zinc/11/87/56/864118756.db2.gz RDLCBJPUNDJJKC-UHFFFAOYSA-N 0 0 413.474 4.068 20 5 HIBDRN Cc1cccc(C(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c2cccc(C)c2)c1 ZINC000438747245 864236267 /nfs/dbraw/zinc/23/62/67/864236267.db2.gz MLHSSZOTLHTWEY-UHFFFAOYSA-N 0 0 417.465 4.364 20 5 HIBDRN CCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000438829135 864324945 /nfs/dbraw/zinc/32/49/45/864324945.db2.gz JLAGEQNMIUTSFT-GFCCVEGCSA-N 0 0 412.273 4.063 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC([C@@H]2CCCO2)CC1 ZINC000438880751 864367917 /nfs/dbraw/zinc/36/79/17/864367917.db2.gz CGNNNXRVNWWCRY-KRWDZBQOSA-N 0 0 406.280 4.301 20 5 HIBDRN Cc1c(CC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cccc1[N+](=O)[O-] ZINC000438897060 864378507 /nfs/dbraw/zinc/37/85/07/864378507.db2.gz PBPCNTZUZNTHHN-KRWDZBQOSA-N 0 0 405.454 4.297 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1[N+](=O)[O-] ZINC000438919332 864397601 /nfs/dbraw/zinc/39/76/01/864397601.db2.gz LOZQFNPLPMAXJX-HNNXBMFYSA-N 0 0 423.391 4.426 20 5 HIBDRN COc1cccc(C(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c2cccc(OC)c2)c1 ZINC000438928450 864407975 /nfs/dbraw/zinc/40/79/75/864407975.db2.gz SMEPJNMTHBAERM-UHFFFAOYSA-N 0 0 420.465 4.369 20 5 HIBDRN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000438928709 864408270 /nfs/dbraw/zinc/40/82/70/864408270.db2.gz IMYHXTVBVXITAC-ZTNFWEORSA-N 0 0 415.877 4.158 20 5 HIBDRN CCSc1nccnc1-c1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000438930794 864409185 /nfs/dbraw/zinc/40/91/85/864409185.db2.gz YNBGVJDIXRLCPZ-SECBINFHSA-N 0 0 407.839 4.340 20 5 HIBDRN COc1ccc2c(c1)CCN(C(=O)c1ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c1)CC2 ZINC000438936755 864413742 /nfs/dbraw/zinc/41/37/42/864413742.db2.gz WHGWEFXKCKQVNP-QGZVFWFLSA-N 0 0 423.513 4.081 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000438951943 864423847 /nfs/dbraw/zinc/42/38/47/864423847.db2.gz KGGNFCJXUDPWEB-GOSISDBHSA-N 0 0 419.268 4.463 20 5 HIBDRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)ccc2NC1=O ZINC000438969543 864435553 /nfs/dbraw/zinc/43/55/53/864435553.db2.gz QFSRXNXURMDMOW-ORAYPTAESA-N 0 0 411.458 4.319 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)cc1[N+](=O)[O-] ZINC000438976417 864442130 /nfs/dbraw/zinc/44/21/30/864442130.db2.gz SUSHVEOICLOMTE-OAHLLOKOSA-N 0 0 421.457 4.367 20 5 HIBDRN Cc1c(CC(=O)Nc2ccccc2NC(=O)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000438980275 864443030 /nfs/dbraw/zinc/44/30/30/864443030.db2.gz SAMOANXORCSSQR-UHFFFAOYSA-N 0 0 409.467 4.327 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000439005457 864458205 /nfs/dbraw/zinc/45/82/05/864458205.db2.gz FADCDLXSJDXOIO-UHFFFAOYSA-N 0 0 419.437 4.102 20 5 HIBDRN Cc1cc(NC(=O)Cc2cccc(OC(F)(F)F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439080764 864529753 /nfs/dbraw/zinc/52/97/53/864529753.db2.gz VTYPDFKFGNGASJ-UHFFFAOYSA-N 0 0 420.347 4.169 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cccc1[N+](=O)[O-] ZINC000439083586 864531938 /nfs/dbraw/zinc/53/19/38/864531938.db2.gz IEQRKTGRZVMGNY-UHFFFAOYSA-N 0 0 421.428 4.405 20 5 HIBDRN Cc1ccccc1-c1cc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n(CCO)n1 ZINC000439097413 864538524 /nfs/dbraw/zinc/53/85/24/864538524.db2.gz FGXWDTDKHCRMGS-UHFFFAOYSA-N 0 0 408.458 4.135 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000439106042 864543222 /nfs/dbraw/zinc/54/32/22/864543222.db2.gz GXRNDLZNGZPBAV-KBPBESRZSA-N 0 0 403.866 4.423 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000439113055 864549881 /nfs/dbraw/zinc/54/98/81/864549881.db2.gz PXHHHCCRRKNGDD-UHFFFAOYSA-N 0 0 424.844 4.134 20 5 HIBDRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439122560 864558867 /nfs/dbraw/zinc/55/88/67/864558867.db2.gz IMNPBFDUXXXQES-MRXNPFEDSA-N 0 0 419.890 4.019 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000439125829 864561833 /nfs/dbraw/zinc/56/18/33/864561833.db2.gz XYVFDWFTJHCIMU-GOSISDBHSA-N 0 0 417.462 4.011 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1ccccc1OC(F)(F)F ZINC000439148703 864580626 /nfs/dbraw/zinc/58/06/26/864580626.db2.gz UEXDNHSDBULMPD-UHFFFAOYSA-N 0 0 402.756 4.428 20 5 HIBDRN CCOc1cccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1OC(F)F ZINC000439154433 864586305 /nfs/dbraw/zinc/58/63/05/864586305.db2.gz NVPZTFMGEQCBBK-UHFFFAOYSA-N 0 0 414.792 4.487 20 5 HIBDRN Cc1ccc(-c2nc(CCNC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)co2)cc1 ZINC000467914593 881782453 /nfs/dbraw/zinc/78/24/53/881782453.db2.gz SLBHGCTUZVBFFA-UHFFFAOYSA-N 0 0 414.849 4.254 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000439224206 864640888 /nfs/dbraw/zinc/64/08/88/864640888.db2.gz KFRXXRRLHJFFIC-UHFFFAOYSA-N 0 0 404.394 4.269 20 5 HIBDRN Cc1c(CC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cccc1[N+](=O)[O-] ZINC000439286372 864706878 /nfs/dbraw/zinc/70/68/78/864706878.db2.gz MMFVVPBQBXMERA-UHFFFAOYSA-N 0 0 404.348 4.289 20 5 HIBDRN COCCCCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(Br)cn1 ZINC000439299957 864726302 /nfs/dbraw/zinc/72/63/02/864726302.db2.gz YAEIBVXCROLNAR-UHFFFAOYSA-N 0 0 422.279 4.134 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000439364211 864803317 /nfs/dbraw/zinc/80/33/17/864803317.db2.gz YUEDCZRIHVAVNH-UHFFFAOYSA-N 0 0 409.486 4.164 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C ZINC000439379236 864810497 /nfs/dbraw/zinc/81/04/97/864810497.db2.gz PYOJPHUILDGTSG-GOSISDBHSA-N 0 0 409.486 4.250 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000439428110 864828622 /nfs/dbraw/zinc/82/86/22/864828622.db2.gz WLYLDGKPBWMOJE-KRWDZBQOSA-N 0 0 423.391 4.374 20 5 HIBDRN CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000439501781 864856064 /nfs/dbraw/zinc/85/60/64/864856064.db2.gz UBKJPXNBIWEYHD-SZNDQCEHSA-N 0 0 419.909 4.387 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000439525353 864864069 /nfs/dbraw/zinc/86/40/69/864864069.db2.gz OCMQCZZYBFNJMJ-UHFFFAOYSA-N 0 0 410.474 4.017 20 5 HIBDRN COCCc1nc2cc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2o1 ZINC000439622429 864947002 /nfs/dbraw/zinc/94/70/02/864947002.db2.gz FXJIUMFEOJHKNU-LLVKDONJSA-N 0 0 418.837 4.017 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000439631594 864956197 /nfs/dbraw/zinc/95/61/97/864956197.db2.gz HJWCLEGPQZLWOH-UHFFFAOYSA-N 0 0 417.412 4.091 20 5 HIBDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000439669347 865001578 /nfs/dbraw/zinc/00/15/78/865001578.db2.gz WUNBFUOHDPHZRD-UHFFFAOYSA-N 0 0 424.501 4.486 20 5 HIBDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467973152 881828630 /nfs/dbraw/zinc/82/86/30/881828630.db2.gz ADMGRMADLHNYFK-UHFFFAOYSA-N 0 0 405.867 4.074 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000439739570 865070549 /nfs/dbraw/zinc/07/05/49/865070549.db2.gz NSHQMMTUFKUQBT-UHFFFAOYSA-N 0 0 408.433 4.242 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3ccccc3-c3cn[nH]c3)cc2[N+](=O)[O-])CC1 ZINC000439741933 865073751 /nfs/dbraw/zinc/07/37/51/865073751.db2.gz FKKPBICVCNBGJT-UHFFFAOYSA-N 0 0 405.458 4.474 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)F)c2cccnc12 ZINC000467985844 881834740 /nfs/dbraw/zinc/83/47/40/881834740.db2.gz VEWZULHLMITOLH-UHFFFAOYSA-N 0 0 402.357 4.109 20 5 HIBDRN Cc1ccc(C(=O)NCC2CC2)cc1NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000439786313 865107445 /nfs/dbraw/zinc/10/74/45/865107445.db2.gz XDUSRIBQHOPARK-UHFFFAOYSA-N 0 0 405.401 4.257 20 5 HIBDRN COc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c(OCc2ccccc2)c1 ZINC000439870707 865179584 /nfs/dbraw/zinc/17/95/84/865179584.db2.gz HTOHTHQKWFIVMZ-UHFFFAOYSA-N 0 0 407.426 4.233 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000439907528 865216892 /nfs/dbraw/zinc/21/68/92/865216892.db2.gz BHGYLGSMHKKFMI-OALUTQOASA-N 0 0 403.410 4.174 20 5 HIBDRN CCC[C@@H](C)c1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n[nH]1 ZINC000439912887 865220435 /nfs/dbraw/zinc/22/04/35/865220435.db2.gz RFTILBDEQOKYSL-CYBMUJFWSA-N 0 0 410.478 4.335 20 5 HIBDRN CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000440131358 865373729 /nfs/dbraw/zinc/37/37/29/865373729.db2.gz ADEYTUIBZQWIHT-UHFFFAOYSA-N 0 0 415.877 4.490 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000440144137 865378618 /nfs/dbraw/zinc/37/86/18/865378618.db2.gz ASJJUXKWYOMEPM-CYBMUJFWSA-N 0 0 403.508 4.027 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000440217650 865454253 /nfs/dbraw/zinc/45/42/53/865454253.db2.gz RSFVNGAPKJCRMD-UHFFFAOYSA-N 0 0 420.263 4.168 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000468065817 881883890 /nfs/dbraw/zinc/88/38/90/881883890.db2.gz RMHFMENHSNXHSY-SFHVURJKSA-N 0 0 419.547 4.149 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)C(C)(C)C)cc2)c1 ZINC000468066252 881883991 /nfs/dbraw/zinc/88/39/91/881883991.db2.gz VBMWDCJMLGGOLV-UHFFFAOYSA-N 0 0 408.501 4.141 20 5 HIBDRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)c12 ZINC000440409089 865703308 /nfs/dbraw/zinc/70/33/08/865703308.db2.gz SOYUDNTXONPWOR-UHFFFAOYSA-N 0 0 407.361 4.201 20 5 HIBDRN CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000440432783 865735669 /nfs/dbraw/zinc/73/56/69/865735669.db2.gz KWYLJHFEGOTCQU-HNNXBMFYSA-N 0 0 414.483 4.161 20 5 HIBDRN Cc1sc(Br)c(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1C ZINC000440475839 865780145 /nfs/dbraw/zinc/78/01/45/865780145.db2.gz FDGDQDSBFUCRII-UHFFFAOYSA-N 0 0 421.276 4.474 20 5 HIBDRN Cc1ccccc1Nc1nc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000440492278 865793039 /nfs/dbraw/zinc/79/30/39/865793039.db2.gz IUFUYFXOIUAYIT-HNNXBMFYSA-N 0 0 410.503 4.185 20 5 HIBDRN CC(C)(C)c1noc(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000440593727 865828388 /nfs/dbraw/zinc/82/83/88/865828388.db2.gz ABNLSKPTSTULJR-UHFFFAOYSA-N 0 0 408.458 4.441 20 5 HIBDRN COc1ccc(OC)c(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000440603573 865833466 /nfs/dbraw/zinc/83/34/66/865833466.db2.gz PWUGGIKRTCAXIR-UHFFFAOYSA-N 0 0 406.438 4.388 20 5 HIBDRN CC(=O)NCc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000440604630 865833947 /nfs/dbraw/zinc/83/39/47/865833947.db2.gz UHQCMLVBYBATGI-UHFFFAOYSA-N 0 0 403.438 4.078 20 5 HIBDRN CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)n1 ZINC000440632584 865849283 /nfs/dbraw/zinc/84/92/83/865849283.db2.gz CNAKVIKYQCREFW-UHFFFAOYSA-N 0 0 417.425 4.743 20 5 HIBDRN O=C(NC[C@H]1Cc2ccccc2O1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440751153 865888716 /nfs/dbraw/zinc/88/87/16/865888716.db2.gz WATLUAHMTKXKQU-MRXNPFEDSA-N 0 0 406.463 4.480 20 5 HIBDRN CC(=O)c1ccc(OCc2nc(-c3cccc(Br)c3)no2)c([N+](=O)[O-])c1 ZINC000440818276 865933896 /nfs/dbraw/zinc/93/38/96/865933896.db2.gz SZKIEKAYNJQMFU-UHFFFAOYSA-N 0 0 418.203 4.189 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000440829327 865945169 /nfs/dbraw/zinc/94/51/69/865945169.db2.gz IVJCIJFOAQJDIB-UHFFFAOYSA-N 0 0 402.422 4.143 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000440880709 865976847 /nfs/dbraw/zinc/97/68/47/865976847.db2.gz ZPEASVBDQQBUOG-JTQLQIEISA-N 0 0 411.241 4.360 20 5 HIBDRN COCc1nc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)c(-c2ccccc2)s1 ZINC000441045894 866113956 /nfs/dbraw/zinc/11/39/56/866113956.db2.gz MFNQEIBPUBMBPD-UHFFFAOYSA-N 0 0 409.467 4.458 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000441050743 866121987 /nfs/dbraw/zinc/12/19/87/866121987.db2.gz MDEXOTDVNGYKRX-UHFFFAOYSA-N 0 0 401.488 4.430 20 5 HIBDRN CC(C)OC(=O)[C@H](C)N(C)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441064616 866150459 /nfs/dbraw/zinc/15/04/59/866150459.db2.gz OLAQKLPFBPXTQS-AWEZNQCLSA-N 0 0 402.472 4.158 20 5 HIBDRN CCOc1ccc2c(c1)CCN([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000441081203 866176815 /nfs/dbraw/zinc/17/68/15/866176815.db2.gz ROMVABYVIBWSST-CYBMUJFWSA-N 0 0 403.866 4.032 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000441231310 866307855 /nfs/dbraw/zinc/30/78/55/866307855.db2.gz MFFNGJVDTAUHGA-QFIPXVFZSA-N 0 0 423.513 4.322 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(Cc1nnc(-c2ccc(Br)o2)o1)C1CC1 ZINC000441244166 866319001 /nfs/dbraw/zinc/31/90/01/866319001.db2.gz YMYVETLYRHOPBY-UHFFFAOYSA-N 0 0 419.235 4.165 20 5 HIBDRN O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(Br)cc1F ZINC000441256174 866330993 /nfs/dbraw/zinc/33/09/93/866330993.db2.gz MTTNFZYOEJWKQM-UHFFFAOYSA-N 0 0 422.254 4.100 20 5 HIBDRN CCCOc1cc(NC(=O)N2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])cc1OCCC ZINC000441327799 866399067 /nfs/dbraw/zinc/39/90/67/866399067.db2.gz HCCYZYUFLIAHCE-CABCVRRESA-N 0 0 409.483 4.204 20 5 HIBDRN CCO[C@H](C)c1nc(CN2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000441346425 866417834 /nfs/dbraw/zinc/41/78/34/866417834.db2.gz ADFPMYHFXHTXAX-HZPDHXFCSA-N 0 0 404.536 4.028 20 5 HIBDRN CCO[C@@H](C)c1nc(CN2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000441357813 866426780 /nfs/dbraw/zinc/42/67/80/866426780.db2.gz NBDRNVMTGZKRTP-CVEARBPZSA-N 0 0 404.536 4.028 20 5 HIBDRN COc1ccc(NC(=O)C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000441397887 866472107 /nfs/dbraw/zinc/47/21/07/866472107.db2.gz XGBFRTGNXUJKEW-HNNXBMFYSA-N 0 0 413.474 4.005 20 5 HIBDRN CC(C)c1ncc(CN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cn1 ZINC000441416576 866491812 /nfs/dbraw/zinc/49/18/12/866491812.db2.gz DALNKLXSMAABGU-UHFFFAOYSA-N 0 0 419.485 4.393 20 5 HIBDRN CCCN(C(=O)c1nnn(-c2ccc3ncccc3c2)c1C)c1cccc([N+](=O)[O-])c1 ZINC000441432837 866509962 /nfs/dbraw/zinc/50/99/62/866509962.db2.gz HGYSXPJQLSCENO-UHFFFAOYSA-N 0 0 416.441 4.089 20 5 HIBDRN CCCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000441472756 866549899 /nfs/dbraw/zinc/54/98/99/866549899.db2.gz XUBRJSVTKBFVTG-LJQANCHMSA-N 0 0 409.486 4.199 20 5 HIBDRN CCNc1ccc(C(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000441482224 866562311 /nfs/dbraw/zinc/56/23/11/866562311.db2.gz QPXKNZXWGDRUSS-HXUWFJFHSA-N 0 0 407.474 4.011 20 5 HIBDRN CC(C)(C)CN(CC(C)(C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000441503455 866584966 /nfs/dbraw/zinc/58/49/66/866584966.db2.gz SIXIMMJJSDXPBM-UHFFFAOYSA-N 0 0 415.437 4.056 20 5 HIBDRN COc1cccc(C(C)(C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000441591768 866683172 /nfs/dbraw/zinc/68/31/72/866683172.db2.gz SBWURXSYUHUYJI-UHFFFAOYSA-N 0 0 414.505 4.257 20 5 HIBDRN COc1cccc(C(C)(C)CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000441596912 866688881 /nfs/dbraw/zinc/68/88/81/866688881.db2.gz ZXODLOWMCPMVIP-UHFFFAOYSA-N 0 0 406.866 4.120 20 5 HIBDRN O=C(NCc1cccc(COCC(F)(F)F)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000441743128 866830683 /nfs/dbraw/zinc/83/06/83/866830683.db2.gz UPCCCLWMYFMBIV-UHFFFAOYSA-N 0 0 408.332 4.350 20 5 HIBDRN Cc1c(NC(=O)N2CC(C)(C)O[C@@H]3CCC[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000441764803 866842225 /nfs/dbraw/zinc/84/22/25/866842225.db2.gz RLHWGZPXYCFJRF-UKRRQHHQSA-N 0 0 412.284 4.230 20 5 HIBDRN CCC(C)(C)OCc1cccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000441875663 866942205 /nfs/dbraw/zinc/94/22/05/866942205.db2.gz UFGRPMARYHGOLQ-UHFFFAOYSA-N 0 0 413.474 4.494 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(COc2ccccc2)c1C ZINC000441879987 866945904 /nfs/dbraw/zinc/94/59/04/866945904.db2.gz OJKMTTAFNNATQF-UHFFFAOYSA-N 0 0 419.437 4.368 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000441980739 867039911 /nfs/dbraw/zinc/03/99/11/867039911.db2.gz SYTOOFDHRDFMDE-LJQANCHMSA-N 0 0 424.501 4.107 20 5 HIBDRN COc1cc(OCC(=O)Nc2cc(Cl)ccc2OCC2CCC2)ccc1[N+](=O)[O-] ZINC000468183007 882059463 /nfs/dbraw/zinc/05/94/63/882059463.db2.gz LVSDEDBRWXBBSR-UHFFFAOYSA-N 0 0 420.849 4.453 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Br ZINC000468190300 882067374 /nfs/dbraw/zinc/06/73/74/882067374.db2.gz ZZVMNPOPZVDZQV-UHFFFAOYSA-N 0 0 412.671 4.325 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000442306535 867317307 /nfs/dbraw/zinc/31/73/07/867317307.db2.gz LIRUOKLHXKLFID-KRWDZBQOSA-N 0 0 423.803 4.219 20 5 HIBDRN CCc1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000468197129 882075392 /nfs/dbraw/zinc/07/53/92/882075392.db2.gz ZRNODXNBSLNNAK-UHFFFAOYSA-N 0 0 405.458 4.195 20 5 HIBDRN Cc1cc(C)n(CCCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n1 ZINC000442425719 867394279 /nfs/dbraw/zinc/39/42/79/867394279.db2.gz SNQJMRZDMIJIAK-UHFFFAOYSA-N 0 0 410.499 4.379 20 5 HIBDRN CCOc1cc(C(=O)Nc2cnn(-c3ccccc3)c2CC)c([N+](=O)[O-])cc1OC ZINC000468201467 882081762 /nfs/dbraw/zinc/08/17/62/882081762.db2.gz YLICWRYBCVABLI-UHFFFAOYSA-N 0 0 410.430 4.003 20 5 HIBDRN O=C(NCc1ccc(CO)c(F)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442570400 867536938 /nfs/dbraw/zinc/53/69/38/867536938.db2.gz BZXMWPKOZDCUMA-UHFFFAOYSA-N 0 0 412.442 4.307 20 5 HIBDRN CCOC(=O)C[C@H](C)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442632723 867575562 /nfs/dbraw/zinc/57/55/62/867575562.db2.gz FROKLZWUNMTTMM-AWEZNQCLSA-N 0 0 402.472 4.065 20 5 HIBDRN COc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1CO ZINC000442636123 867579694 /nfs/dbraw/zinc/57/96/94/867579694.db2.gz HQHKGIGGMVLXOB-UHFFFAOYSA-N 0 0 410.451 4.499 20 5 HIBDRN O=C(NC[C@@H](O)Cc1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442691146 867625161 /nfs/dbraw/zinc/62/51/61/867625161.db2.gz XHKKPYUNBVHTGJ-KRWDZBQOSA-N 0 0 408.479 4.079 20 5 HIBDRN COc1ccc(-c2nc(C3(c4cccc(Br)c4)CC3)no2)cc1[N+](=O)[O-] ZINC000442694838 867628439 /nfs/dbraw/zinc/62/84/39/867628439.db2.gz NZBLOVRJWRBLNH-UHFFFAOYSA-N 0 0 416.231 4.496 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2ccccc12 ZINC000468220693 882107506 /nfs/dbraw/zinc/10/75/06/882107506.db2.gz MRMSIYRUFCZUOO-UHFFFAOYSA-N 0 0 419.393 4.033 20 5 HIBDRN Cn1ccnc1[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000442814752 867684654 /nfs/dbraw/zinc/68/46/54/867684654.db2.gz VKYVOOYCQBISQT-INIZCTEOSA-N 0 0 422.510 4.499 20 5 HIBDRN O=C(c1[nH]ccc1-c1c(Cl)cccc1Cl)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000442882343 867715038 /nfs/dbraw/zinc/71/50/38/867715038.db2.gz LGPVOXCFWWLTEI-UHFFFAOYSA-N 0 0 417.252 4.490 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1[N+](=O)[O-] ZINC000442933424 867750144 /nfs/dbraw/zinc/75/01/44/867750144.db2.gz GPKODMLCSRMXBF-QZTJIDSGSA-N 0 0 402.472 4.251 20 5 HIBDRN C[S@](=O)C1(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 ZINC000442936510 867752054 /nfs/dbraw/zinc/75/20/54/867752054.db2.gz TYJSSAHOHMWVEX-MHZLTWQESA-N 0 0 424.931 4.040 20 5 HIBDRN C[S@](=O)C1(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 ZINC000442946810 867758305 /nfs/dbraw/zinc/75/83/05/867758305.db2.gz SBJXUKZTNGRNSQ-MHZLTWQESA-N 0 0 424.931 4.040 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CCOC[C@]34CCOC4)cc2[N+](=O)[O-])cc1 ZINC000443067631 867808566 /nfs/dbraw/zinc/80/85/66/867808566.db2.gz UFEPNKCXJJERSW-OAQYLSRUSA-N 0 0 400.500 4.046 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000443202806 867873197 /nfs/dbraw/zinc/87/31/97/867873197.db2.gz KPPVJKYYZORIMI-UHFFFAOYSA-N 0 0 424.194 4.350 20 5 HIBDRN CCN(Cc1c[nH]c2ccccc12)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000443389589 867949879 /nfs/dbraw/zinc/94/98/79/867949879.db2.gz NFUNLMYVZXPWJQ-UHFFFAOYSA-N 0 0 404.426 4.052 20 5 HIBDRN CCOC(=O)c1ccnc(N[C@H](C)c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000443503991 868073349 /nfs/dbraw/zinc/07/33/49/868073349.db2.gz WICSWKBZTODASI-MRVPVSSYSA-N 0 0 400.254 4.164 20 5 HIBDRN CC[C@H](c1ccc(Br)cc1)N1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000443509204 868075289 /nfs/dbraw/zinc/07/52/89/868075289.db2.gz KSQSTTALHMEOSC-CQSZACIVSA-N 0 0 411.325 4.087 20 5 HIBDRN CCCc1noc2nc(CC)cc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)c12 ZINC000443531124 868088752 /nfs/dbraw/zinc/08/87/52/868088752.db2.gz KYQIYZFKAHTMON-UHFFFAOYSA-N 0 0 420.429 4.084 20 5 HIBDRN CC[C@@]1(C)Oc2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2O1 ZINC000443558905 868112659 /nfs/dbraw/zinc/11/26/59/868112659.db2.gz MIGDYDLKGPDLDE-NRFANRHFSA-N 0 0 408.414 4.145 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1CC(=O)c1cccs1 ZINC000443675418 868282647 /nfs/dbraw/zinc/28/26/47/868282647.db2.gz PINWSFOBBQKWNO-GXTWGEPZSA-N 0 0 422.890 4.341 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000443691738 868292105 /nfs/dbraw/zinc/29/21/05/868292105.db2.gz IDULKLZIFGRRNE-JOCHJYFZSA-N 0 0 408.479 4.072 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443712061 868299515 /nfs/dbraw/zinc/29/95/15/868299515.db2.gz SKEFYJONPLRISB-UHFFFAOYSA-N 0 0 411.483 4.004 20 5 HIBDRN C[C@@H](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000443742695 868319294 /nfs/dbraw/zinc/31/92/94/868319294.db2.gz HNOKBEKIAAJUJL-ZDUSSCGKSA-N 0 0 416.421 4.227 20 5 HIBDRN CN(CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1)c1ccccc1[N+](=O)[O-] ZINC000443825816 868358441 /nfs/dbraw/zinc/35/84/41/868358441.db2.gz RMXCHGAQJOHJGC-UHFFFAOYSA-N 0 0 404.398 4.071 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443827361 868359505 /nfs/dbraw/zinc/35/95/05/868359505.db2.gz LISMSUUCADTBMF-CQSZACIVSA-N 0 0 405.838 4.332 20 5 HIBDRN O=C(C[C@@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000443846056 868376044 /nfs/dbraw/zinc/37/60/44/868376044.db2.gz YRTROXUHFUUMGT-FQEVSTJZSA-N 0 0 424.500 4.419 20 5 HIBDRN Cc1c(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000443872445 868402570 /nfs/dbraw/zinc/40/25/70/868402570.db2.gz ADKCNQSTJNEOKE-UHFFFAOYSA-N 0 0 408.380 4.276 20 5 HIBDRN C[C@H](O)C[C@H]1CCCN1[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443875026 868406013 /nfs/dbraw/zinc/40/60/13/868406013.db2.gz IJBCPDXJAMVJBV-YYFZDKIDSA-N 0 0 417.893 4.163 20 5 HIBDRN O=C(Nc1c(F)cc(Br)cc1F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000443880620 868413790 /nfs/dbraw/zinc/41/37/90/868413790.db2.gz PJTLJFVWJZZWTA-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN CNC(=O)c1ccc(N[C@@H](c2ccc(OC)cc2)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000443884305 868420775 /nfs/dbraw/zinc/42/07/75/868420775.db2.gz WNSGRGHVFYQUHP-QFIPXVFZSA-N 0 0 421.453 4.173 20 5 HIBDRN O=C(Nc1c(F)cc(Br)cc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000443891358 868427927 /nfs/dbraw/zinc/42/79/27/868427927.db2.gz FXNWEQPFRDUJQB-UHFFFAOYSA-N 0 0 412.190 4.462 20 5 HIBDRN C[C@@H](C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000443895975 868431340 /nfs/dbraw/zinc/43/13/40/868431340.db2.gz AFWLRPUGBSWRFH-SNVBAGLBSA-N 0 0 421.276 4.347 20 5 HIBDRN CCOCCC1(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000443894759 868432815 /nfs/dbraw/zinc/43/28/15/868432815.db2.gz IMRBTKJTQQBWMY-UHFFFAOYSA-N 0 0 419.503 4.014 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cccc(C(=O)NCc2ccco2)c1 ZINC000443944629 868480356 /nfs/dbraw/zinc/48/03/56/868480356.db2.gz 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ZINC000444087813 868609944 /nfs/dbraw/zinc/60/99/44/868609944.db2.gz LUNNUTLWAOGWSX-AWEZNQCLSA-N 0 0 422.431 4.465 20 5 HIBDRN COc1cccc(F)c1[C@@H](C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444097648 868615777 /nfs/dbraw/zinc/61/57/77/868615777.db2.gz VJHINWBDMVPPKJ-GFCCVEGCSA-N 0 0 408.404 4.459 20 5 HIBDRN CCc1cnc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)s1 ZINC000444109071 868622549 /nfs/dbraw/zinc/62/25/49/868622549.db2.gz DXSLNZYNRHEZEP-UHFFFAOYSA-N 0 0 413.449 4.251 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)ccc1C ZINC000444107228 868622556 /nfs/dbraw/zinc/62/25/56/868622556.db2.gz RIRFLQKHGZREHX-UHFFFAOYSA-N 0 0 404.397 4.168 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](COCc2ccccc2)C1 ZINC000444173115 868649251 /nfs/dbraw/zinc/64/92/51/868649251.db2.gz SWZDEEIVQBUERK-WBVHZDCISA-N 0 0 417.893 4.114 20 5 HIBDRN O=C(Nc1cnn(-c2ccccc2F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444219989 868673169 /nfs/dbraw/zinc/67/31/69/868673169.db2.gz 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403.236 4.164 20 5 HIBDRN COc1cc(NCc2cnn(-c3ccc(Br)cc3)c2)ccc1[N+](=O)[O-] ZINC000444871876 869069684 /nfs/dbraw/zinc/06/96/84/869069684.db2.gz MNTGDCDURIBMIH-UHFFFAOYSA-N 0 0 403.236 4.164 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000444907527 869094803 /nfs/dbraw/zinc/09/48/03/869094803.db2.gz VNNGBMMDDVECLF-QGZVFWFLSA-N 0 0 409.801 4.001 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC000444913544 869099758 /nfs/dbraw/zinc/09/97/58/869099758.db2.gz OFEPOSDAHNENSN-UHFFFAOYSA-N 0 0 419.865 4.127 20 5 HIBDRN COc1cc(CCNC(=O)Nc2cccc(C(C)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000444943997 869121959 /nfs/dbraw/zinc/12/19/59/869121959.db2.gz UZZDMLWKQQBJGD-UHFFFAOYSA-N 0 0 409.389 4.088 20 5 HIBDRN Cc1cc(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)ccc1[N+](=O)[O-] ZINC000444947602 869123129 /nfs/dbraw/zinc/12/31/29/869123129.db2.gz LEKXGPRPWHEZKI-IAGOWNOFSA-N 0 0 410.257 4.332 20 5 HIBDRN 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O=C(CCc1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000445767323 869811817 /nfs/dbraw/zinc/81/18/17/869811817.db2.gz RUVYNTILZZKWOC-KRWDZBQOSA-N 0 0 411.483 4.349 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(OCc2cn3ccccc3n2)c1 ZINC000445789773 869825709 /nfs/dbraw/zinc/82/57/09/869825709.db2.gz KQSUHMUWAFVUTD-UHFFFAOYSA-N 0 0 416.437 4.393 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000445792806 869827085 /nfs/dbraw/zinc/82/70/85/869827085.db2.gz ZCNHNPXVQQKIRF-SJLPKXTDSA-N 0 0 403.276 4.352 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000445801275 869830124 /nfs/dbraw/zinc/83/01/24/869830124.db2.gz FFEJUPMHNVEQAV-SFHVURJKSA-N 0 0 409.269 4.434 20 5 HIBDRN Cc1cccnc1[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000445807529 869833705 /nfs/dbraw/zinc/83/37/05/869833705.db2.gz KAMRROACUWOJEZ-KRWDZBQOSA-N 0 0 406.280 4.117 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000445811641 869835647 /nfs/dbraw/zinc/83/56/47/869835647.db2.gz RPBPSRIKSWATQK-CALCHBBNSA-N 0 0 409.486 4.284 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc(N2CCCC2)c1 ZINC000445814144 869836493 /nfs/dbraw/zinc/83/64/93/869836493.db2.gz RXDHCZJIOVDWRP-UHFFFAOYSA-N 0 0 404.264 4.139 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc4nc(C)ccc4c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445817812 869839692 /nfs/dbraw/zinc/83/96/92/869839692.db2.gz HLPNUNQCIWIMIM-UHFFFAOYSA-N 0 0 406.398 4.109 20 5 HIBDRN COc1cc(Cc2noc(-c3cnc(-c4ccccc4)s3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445818604 869840532 /nfs/dbraw/zinc/84/05/32/869840532.db2.gz LLKFNXKAHCOESX-UHFFFAOYSA-N 0 0 424.438 4.376 20 5 HIBDRN COc1cc(Cc2noc([C@@H]3CCCc4sccc43)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445819690 869842369 /nfs/dbraw/zinc/84/23/69/869842369.db2.gz RJZIKQNGRKQGHF-CQSZACIVSA-N 0 0 401.444 4.116 20 5 HIBDRN COc1cc(Cc2noc(CCc3ccccc3Cl)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445820970 869842662 /nfs/dbraw/zinc/84/26/62/869842662.db2.gz WRLRJSXIAJHPNO-UHFFFAOYSA-N 0 0 403.822 4.024 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000445822476 869844701 /nfs/dbraw/zinc/84/47/01/869844701.db2.gz SJGGCYOUJNXLIT-UHFFFAOYSA-N 0 0 419.437 4.184 20 5 HIBDRN COc1cc(Cc2noc(-c3cc(C)c4ccccc4n3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445823259 869845214 /nfs/dbraw/zinc/84/52/14/869845214.db2.gz BWGPOMAXYVMKPT-UHFFFAOYSA-N 0 0 406.398 4.109 20 5 HIBDRN COc1cc(Cc2noc(CCCc3ccc(C)s3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445823618 869846206 /nfs/dbraw/zinc/84/62/06/869846206.db2.gz HKTAENXBYCYEIA-UHFFFAOYSA-N 0 0 403.460 4.131 20 5 HIBDRN Cn1c2ccccc2nc1[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000445913617 869884376 /nfs/dbraw/zinc/88/43/76/869884376.db2.gz PBDCDSXHYMPUGD-QHCPKHFHSA-N 0 0 414.465 4.320 20 5 HIBDRN COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2cccnc12 ZINC000445919748 869888131 /nfs/dbraw/zinc/88/81/31/869888131.db2.gz QYFXUQRCVSDRFF-UHFFFAOYSA-N 0 0 416.231 4.095 20 5 HIBDRN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000445943357 869901923 /nfs/dbraw/zinc/90/19/23/869901923.db2.gz IJOSWIGMFANCFP-LBPRGKRZSA-N 0 0 400.822 4.108 20 5 HIBDRN Cc1c(C)n(Cc2ccccc2)c2ncnc(NC(=O)c3ccc([N+](=O)[O-])s3)c12 ZINC000445951655 869916215 /nfs/dbraw/zinc/91/62/15/869916215.db2.gz GDUOTWYBYFLDTE-UHFFFAOYSA-N 0 0 407.455 4.318 20 5 HIBDRN Cc1cc(Br)c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1Cl ZINC000445965087 869933223 /nfs/dbraw/zinc/93/32/23/869933223.db2.gz HBLKYGUZFUWKNF-UHFFFAOYSA-N 0 0 413.611 4.300 20 5 HIBDRN Cc1ccc2c(c1)N(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C[C@H](C)O2 ZINC000445968220 869938273 /nfs/dbraw/zinc/93/82/73/869938273.db2.gz AEWREHCKAUUCIU-LBPRGKRZSA-N 0 0 405.248 4.022 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000446003581 869966707 /nfs/dbraw/zinc/96/67/07/869966707.db2.gz KGKIVBSGYBVRJZ-UHFFFAOYSA-N 0 0 421.428 4.235 20 5 HIBDRN O=c1cc(-c2nc([C@@H]3CSc4ccccc4O3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446015049 869983088 /nfs/dbraw/zinc/98/30/88/869983088.db2.gz CLSCCZGCRYEOPI-HNNXBMFYSA-N 0 0 408.395 4.124 20 5 HIBDRN O=[N+]([O-])c1ccc(-n2cc(-c3nc([C@H]4CSc5ccccc5O4)no3)cn2)cc1 ZINC000446016595 869983968 /nfs/dbraw/zinc/98/39/68/869983968.db2.gz SUOXAGNOSAVDPC-MRXNPFEDSA-N 0 0 407.411 4.056 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000446042977 870005360 /nfs/dbraw/zinc/00/53/60/870005360.db2.gz LFUCJBNTULDEDH-NRFANRHFSA-N 0 0 417.456 4.101 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000446046138 870007536 /nfs/dbraw/zinc/00/75/36/870007536.db2.gz LHZGPGOPMPWODD-UHFFFAOYSA-N 0 0 410.451 4.129 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCC1(c2ccccc2Br)CC1 ZINC000446047790 870010035 /nfs/dbraw/zinc/01/00/35/870010035.db2.gz QXIYMGFLYKIQAT-UHFFFAOYSA-N 0 0 403.276 4.138 20 5 HIBDRN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000446084925 870031275 /nfs/dbraw/zinc/03/12/75/870031275.db2.gz 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O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(CCC(F)(F)F)CC1CC1 ZINC000446209574 870144198 /nfs/dbraw/zinc/14/41/98/870144198.db2.gz DYMRBCCUVCEKGD-UHFFFAOYSA-N 0 0 409.202 4.091 20 5 HIBDRN O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000446291081 870219803 /nfs/dbraw/zinc/21/98/03/870219803.db2.gz GOBZAKVDBOMVBF-UHFFFAOYSA-N 0 0 406.269 4.303 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000446343949 870254399 /nfs/dbraw/zinc/25/43/99/870254399.db2.gz YIBFEWPVDSJPPZ-UHFFFAOYSA-N 0 0 402.878 4.014 20 5 HIBDRN Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc(C)c1OCc1cccnc1 ZINC000446420662 870332711 /nfs/dbraw/zinc/33/27/11/870332711.db2.gz KNWISHXPGXRJFV-UHFFFAOYSA-N 0 0 417.465 4.384 20 5 HIBDRN C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446422444 870335020 /nfs/dbraw/zinc/33/50/20/870335020.db2.gz JESSHPONYIDECT-GFCCVEGCSA-N 0 0 421.316 4.423 20 5 HIBDRN COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000446426126 870341497 /nfs/dbraw/zinc/34/14/97/870341497.db2.gz XPSZJRSQWZQSLZ-IAGOWNOFSA-N 0 0 412.442 4.092 20 5 HIBDRN C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446427989 870344074 /nfs/dbraw/zinc/34/40/74/870344074.db2.gz NAJOXDAOKSMLJM-APWZRJJASA-N 0 0 414.458 4.087 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])[C@@H]1OCCc2ccccc21 ZINC000446430458 870347645 /nfs/dbraw/zinc/34/76/45/870347645.db2.gz VJEJXDQXNWZUOI-JOCHJYFZSA-N 0 0 404.422 4.426 20 5 HIBDRN COC(=O)c1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000446434811 870353586 /nfs/dbraw/zinc/35/35/86/870353586.db2.gz PFMGVKQGRMZJEB-UHFFFAOYSA-N 0 0 406.394 4.213 20 5 HIBDRN CCCOc1ccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCCC ZINC000446472464 870387781 /nfs/dbraw/zinc/38/77/81/870387781.db2.gz WXTMUNQIKRMLKQ-UHFFFAOYSA-N 0 0 415.446 4.058 20 5 HIBDRN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000446537454 870451059 /nfs/dbraw/zinc/45/10/59/870451059.db2.gz DOVJGBFXZGEGCF-SFHVURJKSA-N 0 0 420.473 4.318 20 5 HIBDRN COc1cc(OCC(=O)Nc2ccc(Cl)c(Br)c2)ccc1[N+](=O)[O-] ZINC000446625637 870530079 /nfs/dbraw/zinc/53/00/79/870530079.db2.gz UZYOOWQDLACMEZ-UHFFFAOYSA-N 0 0 415.627 4.037 20 5 HIBDRN Cc1cccc(C(=O)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)c1[N+](=O)[O-] ZINC000446636264 870542094 /nfs/dbraw/zinc/54/20/94/870542094.db2.gz FLUCXIKROHFPTR-HXUWFJFHSA-N 0 0 417.465 4.091 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000468468835 882418613 /nfs/dbraw/zinc/41/86/13/882418613.db2.gz IGVBTGJPDZYNFS-MRXNPFEDSA-N 0 0 407.430 4.365 20 5 HIBDRN O=C(NCc1csc(CCc2ccccc2)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446742482 870649992 /nfs/dbraw/zinc/64/99/92/870649992.db2.gz QZESVBXJIBARHT-UHFFFAOYSA-N 0 0 422.510 4.104 20 5 HIBDRN C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(-c2cccnc2)cc1 ZINC000446786677 870706083 /nfs/dbraw/zinc/70/60/83/870706083.db2.gz PQHITNMGNUBPAD-MRXNPFEDSA-N 0 0 402.454 4.486 20 5 HIBDRN C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)c1nnnn1C1CCCCC1 ZINC000468478633 882441036 /nfs/dbraw/zinc/44/10/36/882441036.db2.gz LOVVECQOLIYNRR-CQSZACIVSA-N 0 0 420.542 4.432 20 5 HIBDRN O=C(NC1CCOCC1)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000446877005 870797082 /nfs/dbraw/zinc/79/70/82/870797082.db2.gz JGQGSAODBFAILP-UHFFFAOYSA-N 0 0 421.453 4.376 20 5 HIBDRN CCC(CC)[C@H](CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)OC ZINC000446879055 870799177 /nfs/dbraw/zinc/79/91/77/870799177.db2.gz IWPYGQPOLZVCQE-KRWDZBQOSA-N 0 0 408.886 4.047 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccs1 ZINC000446882349 870803506 /nfs/dbraw/zinc/80/35/06/870803506.db2.gz CXTYTWXJRRLWGR-UHFFFAOYSA-N 0 0 407.451 4.107 20 5 HIBDRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446893354 870812952 /nfs/dbraw/zinc/81/29/52/870812952.db2.gz SJTCQMOOZYQZEK-UHFFFAOYSA-N 0 0 408.245 4.120 20 5 HIBDRN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446894937 870814379 /nfs/dbraw/zinc/81/43/79/870814379.db2.gz TUAKIDGHIQLFNX-VFNWGFHPSA-N 0 0 407.474 4.462 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(CCC(F)(F)F)Cc1ccccc1 ZINC000446898705 870817367 /nfs/dbraw/zinc/81/73/67/870817367.db2.gz MUXMYMCIYWGURL-UHFFFAOYSA-N 0 0 421.379 4.135 20 5 HIBDRN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)o1 ZINC000446899590 870818680 /nfs/dbraw/zinc/81/86/80/870818680.db2.gz JDZGSEVRRAFINF-WBMJQRKESA-N 0 0 409.446 4.062 20 5 HIBDRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446899967 870818811 /nfs/dbraw/zinc/81/88/11/870818811.db2.gz VRHUUMJPKKYKQV-CHWSQXEVSA-N 0 0 415.881 4.458 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000446901994 870819896 /nfs/dbraw/zinc/81/98/96/870819896.db2.gz HGNZVRSVRRHSEU-FQEVSTJZSA-N 0 0 418.457 4.389 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000446902964 870821620 /nfs/dbraw/zinc/82/16/20/870821620.db2.gz SYTVTAUHOLQHAH-AWEZNQCLSA-N 0 0 413.865 4.041 20 5 HIBDRN COCCCOc1cc(C)ccc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000446944466 870853756 /nfs/dbraw/zinc/85/37/56/870853756.db2.gz SZYCNIBMQLVCPS-UHFFFAOYSA-N 0 0 415.490 4.053 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCSc3ccccc32)c(C(F)(F)F)c1 ZINC000446948692 870856812 /nfs/dbraw/zinc/85/68/12/870856812.db2.gz PZOQAJHMCSLRSB-ZDUSSCGKSA-N 0 0 418.418 4.129 20 5 HIBDRN C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446958290 870860924 /nfs/dbraw/zinc/86/09/24/870860924.db2.gz QGAQUZQSIBVXQY-JTQLQIEISA-N 0 0 406.357 4.134 20 5 HIBDRN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000446957538 870861109 /nfs/dbraw/zinc/86/11/09/870861109.db2.gz NABGIBZRQSSVCF-MRXNPFEDSA-N 0 0 414.405 4.448 20 5 HIBDRN CCc1ccc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000446991590 870881375 /nfs/dbraw/zinc/88/13/75/870881375.db2.gz QIVOCBSEHGCQJB-UHFFFAOYSA-N 0 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871605316 /nfs/dbraw/zinc/60/53/16/871605316.db2.gz BLAQRZSZVCWCAK-UHFFFAOYSA-N 0 0 417.828 4.119 20 5 HIBDRN Cc1cccc2[nH]c(CNc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])nc21 ZINC000447675623 871609477 /nfs/dbraw/zinc/60/94/77/871609477.db2.gz NPTJWUIUZDZLIB-UHFFFAOYSA-N 0 0 401.295 4.441 20 5 HIBDRN C[S@](=O)Cc1cccc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC000447679235 871611822 /nfs/dbraw/zinc/61/18/22/871611822.db2.gz CNXYBOGXRIDYPA-MHZLTWQESA-N 0 0 409.336 4.266 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCO[C@@H](c2ccccc2F)C1 ZINC000447681409 871613216 /nfs/dbraw/zinc/61/32/16/871613216.db2.gz ZEBXDHGEKWXECX-CQSZACIVSA-N 0 0 421.297 4.361 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccnc(N2CCCC2)c1 ZINC000447684017 871617046 /nfs/dbraw/zinc/61/70/46/871617046.db2.gz WCYPJYCQTICGQV-UHFFFAOYSA-N 0 0 417.338 4.251 20 5 HIBDRN COc1ccc2c(c1)OC[C@@H](Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C2 ZINC000447684102 871617826 /nfs/dbraw/zinc/61/78/26/871617826.db2.gz WYWPWTJLTDJIHQ-JTQLQIEISA-N 0 0 419.306 4.068 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1nnc(C2CC2)n1C1CC1 ZINC000447692097 871627814 /nfs/dbraw/zinc/62/78/14/871627814.db2.gz YPYSGSVLHLDBKW-UHFFFAOYSA-N 0 0 418.326 4.060 20 5 HIBDRN O=C(c1ccc(F)cc1)C1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC000447711177 871653374 /nfs/dbraw/zinc/65/33/74/871653374.db2.gz VMPQBMDMVWFWFU-UHFFFAOYSA-N 0 0 424.350 4.488 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000447713487 871655461 /nfs/dbraw/zinc/65/54/61/871655461.db2.gz JKLUNTDZXSXYKN-AWEZNQCLSA-N 0 0 416.474 4.336 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2C[C@@H](O)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000447721482 871663543 /nfs/dbraw/zinc/66/35/43/871663543.db2.gz VVDOTGTZODZPFF-KRWDZBQOSA-N 0 0 400.500 4.297 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000447726596 871674400 /nfs/dbraw/zinc/67/44/00/871674400.db2.gz HJSBWCMDKMXZLT-CQSZACIVSA-N 0 0 407.392 4.260 20 5 HIBDRN CC(C)[C@H]1C[C@@H](Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])c2ccccc21 ZINC000447806544 871740895 /nfs/dbraw/zinc/74/08/95/871740895.db2.gz NGXIJVNVYUFOTI-TZIWHRDSSA-N 0 0 409.486 4.364 20 5 HIBDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000447858388 871776575 /nfs/dbraw/zinc/77/65/75/871776575.db2.gz KKZYTWGIBXPYPZ-UHFFFAOYSA-N 0 0 421.413 4.198 20 5 HIBDRN CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000447990151 871839354 /nfs/dbraw/zinc/83/93/54/871839354.db2.gz QTYIKXVEOMVIBW-INIZCTEOSA-N 0 0 421.501 4.466 20 5 HIBDRN Cn1c(=O)c2ccsc2nc1SCc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000448108322 871953758 /nfs/dbraw/zinc/95/37/58/871953758.db2.gz PGAIRUYDDBJPKW-UHFFFAOYSA-N 0 0 401.391 4.214 20 5 HIBDRN CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448177796 872054011 /nfs/dbraw/zinc/05/40/11/872054011.db2.gz ILKMLDUJGXYDHN-UHFFFAOYSA-N 0 0 422.359 4.383 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n(-c2ccccc2)n1 ZINC000448190454 872071096 /nfs/dbraw/zinc/07/10/96/872071096.db2.gz MGYFMOZEJZRXEQ-AWEZNQCLSA-N 0 0 412.877 4.032 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1 ZINC000448325120 872258926 /nfs/dbraw/zinc/25/89/26/872258926.db2.gz MELGWCPNYOWHDP-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)c1ccccc1Br ZINC000448347834 872293293 /nfs/dbraw/zinc/29/32/93/872293293.db2.gz DHHMVKNBFXIVAD-UHFFFAOYSA-N 0 0 420.307 4.477 20 5 HIBDRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000448349134 872294927 /nfs/dbraw/zinc/29/49/27/872294927.db2.gz RPPDSYZOHYRNCV-INIZCTEOSA-N 0 0 410.536 4.112 20 5 HIBDRN O=C(Nc1ccn(CC(F)(F)F)n1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000448403052 872351614 /nfs/dbraw/zinc/35/16/14/872351614.db2.gz WDJQXFHZPPFRTM-UHFFFAOYSA-N 0 0 422.388 4.757 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000448443643 872385897 /nfs/dbraw/zinc/38/58/97/872385897.db2.gz ANWOJTPCBPOFDA-UHFFFAOYSA-N 0 0 408.911 4.492 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000448454186 872401502 /nfs/dbraw/zinc/40/15/02/872401502.db2.gz HZNSKCHINFVPPE-UHFFFAOYSA-N 0 0 422.319 4.233 20 5 HIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000468561679 882616175 /nfs/dbraw/zinc/61/61/75/882616175.db2.gz WFQIQODSSHDJBM-MRXNPFEDSA-N 0 0 422.254 4.213 20 5 HIBDRN O=C(N[C@H](CC(F)(F)F)c1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460105077 872566362 /nfs/dbraw/zinc/56/63/62/872566362.db2.gz LTSVLMORNUJRDX-MRXNPFEDSA-N 0 0 409.364 4.193 20 5 HIBDRN O=[N+]([O-])c1cccc(-n2ccc(-c3nc(CCn4ccc5ccccc54)no3)n2)c1 ZINC000460151714 872676717 /nfs/dbraw/zinc/67/67/17/872676717.db2.gz QNSFJFZASWDVMU-UHFFFAOYSA-N 0 0 400.398 4.028 20 5 HIBDRN C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460167703 872720524 /nfs/dbraw/zinc/72/05/24/872720524.db2.gz IFCBNDLAZMJOCO-ZMZPIMSZSA-N 0 0 421.316 4.499 20 5 HIBDRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460195590 872769181 /nfs/dbraw/zinc/76/91/81/872769181.db2.gz SREDYSSXWUZKJF-UHFFFAOYSA-N 0 0 403.276 4.090 20 5 HIBDRN C[C@H]1CN(C)c2ccccc2N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000460322600 872917019 /nfs/dbraw/zinc/91/70/19/872917019.db2.gz BQTQEMAPHURTOF-AWEZNQCLSA-N 0 0 403.866 4.136 20 5 HIBDRN CO[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000460328462 872930933 /nfs/dbraw/zinc/93/09/33/872930933.db2.gz PBJRBNRWYKZNHG-GTNSWQLSSA-N 0 0 413.257 4.173 20 5 HIBDRN CO[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000460328460 872931537 /nfs/dbraw/zinc/93/15/37/872931537.db2.gz PBJRBNRWYKZNHG-APPDUMDISA-N 0 0 413.257 4.173 20 5 HIBDRN C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000460340075 872949311 /nfs/dbraw/zinc/94/93/11/872949311.db2.gz GPMFZZIYDVSHLZ-LBPRGKRZSA-N 0 0 404.264 4.090 20 5 HIBDRN CCC(CC)c1cc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)on1 ZINC000460344425 872960299 /nfs/dbraw/zinc/96/02/99/872960299.db2.gz AWXQFJRZFAPNQY-UHFFFAOYSA-N 0 0 400.479 4.019 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCSc4ncccc43)cc2[N+](=O)[O-])C1 ZINC000460349812 872967797 /nfs/dbraw/zinc/96/77/97/872967797.db2.gz ITCQXYJMJGAZRK-GASCZTMLSA-N 0 0 412.515 4.225 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000460385701 873029432 /nfs/dbraw/zinc/02/94/32/873029432.db2.gz GUGHOQBWIAYORQ-QRWLVFNGSA-N 0 0 418.877 4.314 20 5 HIBDRN Cc1nnc(-c2cccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)c2)o1 ZINC000460390324 873036027 /nfs/dbraw/zinc/03/60/27/873036027.db2.gz FIQYJVRYWVWWCY-UHFFFAOYSA-N 0 0 421.457 4.442 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cccc1[N+](=O)[O-] ZINC000468591763 882679010 /nfs/dbraw/zinc/67/90/10/882679010.db2.gz YESBBFOFZUJULF-MRXNPFEDSA-N 0 0 418.291 4.382 20 5 HIBDRN C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(-c2cccnc2)cc1 ZINC000460407938 873060481 /nfs/dbraw/zinc/06/04/81/873060481.db2.gz REERRVWNUYIFRD-MRXNPFEDSA-N 0 0 418.453 4.322 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000460416794 873074096 /nfs/dbraw/zinc/07/40/96/873074096.db2.gz TUDWYGVLRCUEEM-CJNGLKHVSA-N 0 0 417.487 4.044 20 5 HIBDRN Cc1ccccc1O[C@@H](C)CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000460426967 873090110 /nfs/dbraw/zinc/09/01/10/873090110.db2.gz ZXUNUNYNURDSRR-ZDUSSCGKSA-N 0 0 412.364 4.042 20 5 HIBDRN CCOc1cc2c(cc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])O[C@H](C)C2 ZINC000460455566 873132394 /nfs/dbraw/zinc/13/23/94/873132394.db2.gz FAXLJRUHMHYJIA-GFCCVEGCSA-N 0 0 404.850 4.209 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000460459783 873140683 /nfs/dbraw/zinc/14/06/83/873140683.db2.gz LCGDDHLFYDXNLD-QGZVFWFLSA-N 0 0 401.488 4.282 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000460466758 873150186 /nfs/dbraw/zinc/15/01/86/873150186.db2.gz DZVKDHVMBNDCKA-UHFFFAOYSA-N 0 0 422.338 4.124 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000460477597 873163644 /nfs/dbraw/zinc/16/36/44/873163644.db2.gz FNGHLAIGILWRDR-QGZVFWFLSA-N 0 0 401.488 4.282 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1OC(F)F ZINC000460483730 873169880 /nfs/dbraw/zinc/16/98/80/873169880.db2.gz SAPATVWHURPVSN-MRVPVSSYSA-N 0 0 404.728 4.395 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)cc1[N+](=O)[O-] ZINC000460494765 873180426 /nfs/dbraw/zinc/18/04/26/873180426.db2.gz VNWQRKYDZXSIKS-UHFFFAOYSA-N 0 0 424.436 4.137 20 5 HIBDRN Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460499056 873185394 /nfs/dbraw/zinc/18/53/94/873185394.db2.gz RGQINRJBAGKUEL-UHFFFAOYSA-N 0 0 416.275 4.048 20 5 HIBDRN C[C@H](Sc1ccc(Br)cc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460500933 873186541 /nfs/dbraw/zinc/18/65/41/873186541.db2.gz DCGACTBRGITKER-LBPRGKRZSA-N 0 0 409.305 4.197 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCCCc2ccccc21 ZINC000460504540 873189891 /nfs/dbraw/zinc/18/98/91/873189891.db2.gz PLPKGZWASGZLDU-UHFFFAOYSA-N 0 0 409.442 4.043 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H](C)Cc3cc(C)cc(C)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000460503639 873190070 /nfs/dbraw/zinc/19/00/70/873190070.db2.gz VILITILLKVFOBN-QGZVFWFLSA-N 0 0 420.513 4.434 20 5 HIBDRN CCOc1ccc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000460509103 873197131 /nfs/dbraw/zinc/19/71/31/873197131.db2.gz GXQOANWGZSWUIA-OAHLLOKOSA-N 0 0 417.893 4.166 20 5 HIBDRN Cc1ccc(CC[C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])o1 ZINC000460512300 873199774 /nfs/dbraw/zinc/19/97/74/873199774.db2.gz UGFSLPIEXCZONU-NSHDSACASA-N 0 0 400.353 4.188 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](COCc3ccccc3)C2)cc1SC ZINC000460522179 873213255 /nfs/dbraw/zinc/21/32/55/873213255.db2.gz MCFCCNURBQJONR-INIZCTEOSA-N 0 0 416.499 4.004 20 5 HIBDRN CO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000460555609 873273583 /nfs/dbraw/zinc/27/35/83/873273583.db2.gz FMTCPMNALPVUIN-UKRRQHHQSA-N 0 0 407.517 4.198 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@H](C)CO2)c1 ZINC000460582691 873317812 /nfs/dbraw/zinc/31/78/12/873317812.db2.gz JFVPJCZLVBVBMS-OXQOHEQNSA-N 0 0 400.500 4.292 20 5 HIBDRN CCN(CCc1nccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC(C)C ZINC000460585094 873321462 /nfs/dbraw/zinc/32/14/62/873321462.db2.gz SNWVNBZBMPZXHR-UHFFFAOYSA-N 0 0 400.508 4.035 20 5 HIBDRN COc1cccc2c1CCN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1CC(C)C)C2 ZINC000460598768 873339334 /nfs/dbraw/zinc/33/93/34/873339334.db2.gz PXWMLVXAXMYULI-UHFFFAOYSA-N 0 0 407.474 4.081 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000460605499 873349503 /nfs/dbraw/zinc/34/95/03/873349503.db2.gz YGQZLYZOPZRUCP-FQEVSTJZSA-N 0 0 403.429 4.091 20 5 HIBDRN CCN(CCc1nccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)C ZINC000460611944 873354534 /nfs/dbraw/zinc/35/45/34/873354534.db2.gz HASLVKVSMKMZKL-UHFFFAOYSA-N 0 0 400.508 4.035 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2ccccc2[C@H]1C ZINC000460695409 873462105 /nfs/dbraw/zinc/46/21/05/873462105.db2.gz RDWNJEMICSFHEF-QGZVFWFLSA-N 0 0 421.501 4.404 20 5 HIBDRN CCC1(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)CCCCC1 ZINC000460759535 873599473 /nfs/dbraw/zinc/59/94/73/873599473.db2.gz OVODUUZGODTWOH-UHFFFAOYSA-N 0 0 423.516 4.183 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1Cc2ccccc2[C@@H]1C ZINC000460813987 873694848 /nfs/dbraw/zinc/69/48/48/873694848.db2.gz QGJGVZPRXXDXPT-INIZCTEOSA-N 0 0 407.474 4.361 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000460862652 873766067 /nfs/dbraw/zinc/76/60/67/873766067.db2.gz PNSNKJZQCKESOU-UHFFFAOYSA-N 0 0 404.426 4.477 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 ZINC000460871838 873779560 /nfs/dbraw/zinc/77/95/60/873779560.db2.gz QFCMFVXBKWOSRR-IBGZPJMESA-N 0 0 413.861 4.145 20 5 HIBDRN C[C@@H](c1ccccc1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000460905824 873813555 /nfs/dbraw/zinc/81/35/55/873813555.db2.gz CHMFMZFXVIQNLX-OXJNMPFZSA-N 0 0 407.474 4.230 20 5 HIBDRN CC(C)(C)Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@H]1CCCO1 ZINC000460914547 873820733 /nfs/dbraw/zinc/82/07/33/873820733.db2.gz ZULZNWIGFOFHGW-LJQANCHMSA-N 0 0 413.522 4.123 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000460993803 873877143 /nfs/dbraw/zinc/87/71/43/873877143.db2.gz UKDBEQFTKQMNMU-SFHVURJKSA-N 0 0 406.486 4.474 20 5 HIBDRN C[C@@H]1CCCN(C(=O)c2cc(C(=O)N3CCC[C@H](C)[C@H]3C)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000461031673 873894679 /nfs/dbraw/zinc/89/46/79/873894679.db2.gz XNLJDFBBHSQHOJ-YYIAUSFCSA-N 0 0 401.507 4.116 20 5 HIBDRN CC[C@@H](C)c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C[C@@H]1CCCO1 ZINC000461047960 873916680 /nfs/dbraw/zinc/91/66/80/873916680.db2.gz ITDUXIJXTJPLGN-APWZRJJASA-N 0 0 401.511 4.294 20 5 HIBDRN CC(C)(C)C[C@@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000461055843 873928855 /nfs/dbraw/zinc/92/88/55/873928855.db2.gz VNNYSDYYOOWLNY-OALUTQOASA-N 0 0 413.522 4.437 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3c3ccccc3)n2C[C@H]2CCCO2)c1 ZINC000461060876 873940059 /nfs/dbraw/zinc/94/00/59/873940059.db2.gz FRIBIEORBBREKQ-NHCUHLMSSA-N 0 0 419.485 4.374 20 5 HIBDRN CCC(CC)(CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccc(OC)c(OC)c1 ZINC000461060981 873940269 /nfs/dbraw/zinc/94/02/69/873940269.db2.gz RNVGRJNTFGHHKS-UHFFFAOYSA-N 0 0 416.474 4.108 20 5 HIBDRN Cc1ccc(NCCCNC(=O)c2ccc(OCc3ccccn3)cc2)c([N+](=O)[O-])c1 ZINC000461077546 873979903 /nfs/dbraw/zinc/97/99/03/873979903.db2.gz WUABCIIGDYDBSB-UHFFFAOYSA-N 0 0 420.469 4.109 20 5 HIBDRN CC(=O)c1cc(F)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1F ZINC000461085065 873997705 /nfs/dbraw/zinc/99/77/05/873997705.db2.gz HABPOXVSTXLKNI-MRVPVSSYSA-N 0 0 416.739 4.274 20 5 HIBDRN C[C@H](C1CCC1)N(C)C(=O)c1cc(C(=O)N(C)[C@H](C)C2CCC2)cc([N+](=O)[O-])c1 ZINC000461088640 874002856 /nfs/dbraw/zinc/00/28/56/874002856.db2.gz VAVDNPMBQARYKZ-HUUCEWRRSA-N 0 0 401.507 4.116 20 5 HIBDRN CC(=O)c1cc(F)c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(F)c1F ZINC000461096038 874011792 /nfs/dbraw/zinc/01/17/92/874011792.db2.gz SIGCCQFZAQNSBH-UHFFFAOYSA-N 0 0 404.247 4.068 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Br)c([N+](=O)[O-])c1 ZINC000461118892 874044646 /nfs/dbraw/zinc/04/46/46/874044646.db2.gz QBQYJEZRDWHRSG-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN C[C@@H]1c2ccccc2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000461142427 874084885 /nfs/dbraw/zinc/08/48/85/874084885.db2.gz CHJIRWIBJFUOTB-DNVCBOLYSA-N 0 0 405.458 4.114 20 5 HIBDRN O=C(NCc1ncc(-c2ccccc2)cn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461157037 874111633 /nfs/dbraw/zinc/11/16/33/874111633.db2.gz LFYWOWRAESPVPZ-UHFFFAOYSA-N 0 0 417.450 4.105 20 5 HIBDRN Nc1c(C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)cc(F)cc1[N+](=O)[O-] ZINC000461201476 874202059 /nfs/dbraw/zinc/20/20/59/874202059.db2.gz XQKWFWZCOBGKCL-UHFFFAOYSA-N 0 0 417.343 4.317 20 5 HIBDRN Cc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(Br)c1 ZINC000461207328 874210394 /nfs/dbraw/zinc/21/03/94/874210394.db2.gz BEQMXTJXKKXJRU-UHFFFAOYSA-N 0 0 413.293 4.108 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(C)cc1Br ZINC000461212382 874213666 /nfs/dbraw/zinc/21/36/66/874213666.db2.gz QBDDOJMROONGJI-UHFFFAOYSA-N 0 0 413.293 4.053 20 5 HIBDRN CO[C@H]1CCOc2c(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cccc21 ZINC000468677591 882805548 /nfs/dbraw/zinc/80/55/48/882805548.db2.gz ZAACLTDTYFJGIF-HNNXBMFYSA-N 0 0 407.220 4.080 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000461269062 874279490 /nfs/dbraw/zinc/27/94/90/874279490.db2.gz WPWKDTMTKKQYLV-YOEHRIQHSA-N 0 0 416.886 4.311 20 5 HIBDRN CO[C@@H]1CCOc2c(NC(=O)c3sc(Br)cc3[N+](=O)[O-])cccc21 ZINC000468685717 882811595 /nfs/dbraw/zinc/81/15/95/882811595.db2.gz ROVLQFUTRCVEEB-LLVKDONJSA-N 0 0 413.249 4.141 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000468701769 882820515 /nfs/dbraw/zinc/82/05/15/882820515.db2.gz RBCIVEOQUMEBAO-ZDUSSCGKSA-N 0 0 422.416 4.059 20 5 HIBDRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)cc1 ZINC000468702241 882820842 /nfs/dbraw/zinc/82/08/42/882820842.db2.gz ZGKSTJNXPUAKCG-UHFFFAOYSA-N 0 0 409.486 4.111 20 5 HIBDRN Nc1c(C(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cccc1[N+](=O)[O-] ZINC000468703037 882821406 /nfs/dbraw/zinc/82/14/06/882821406.db2.gz HILALLYRZXSEIW-CQSZACIVSA-N 0 0 412.446 4.247 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(OCc2ccccc2)cc1 ZINC000468707211 882823022 /nfs/dbraw/zinc/82/30/22/882823022.db2.gz QTYLAAJYVFMVLX-UHFFFAOYSA-N 0 0 412.467 4.189 20 5 HIBDRN Cc1cnn([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C2)c1 ZINC000461392268 874398568 /nfs/dbraw/zinc/39/85/68/874398568.db2.gz YBDSCLJLKALSPN-GOSISDBHSA-N 0 0 414.531 4.469 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000461396449 874405903 /nfs/dbraw/zinc/40/59/03/874405903.db2.gz MLHCHSUCQHRQBT-CYBMUJFWSA-N 0 0 408.285 4.421 20 5 HIBDRN COc1ccc(C2(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)CC3(CCC3)C2)cc1 ZINC000461401522 874411940 /nfs/dbraw/zinc/41/19/40/874411940.db2.gz ZPAIVKYTKKIMMQ-UHFFFAOYSA-N 0 0 422.481 4.227 20 5 HIBDRN O=C(N1CCOc2ccc([N+](=O)[O-])cc2C1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000461418111 874438587 /nfs/dbraw/zinc/43/85/87/874438587.db2.gz RBBAHLZLNYGDTP-LWYUSKRHSA-N 0 0 424.419 4.465 20 5 HIBDRN O=C(NCc1cc2cc(Br)ccc2[nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000468739417 882837415 /nfs/dbraw/zinc/83/74/15/882837415.db2.gz QLDZRAVVEAQTFN-UHFFFAOYSA-N 0 0 413.231 4.250 20 5 HIBDRN Cc1n[nH]c(C(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000461453283 874512880 /nfs/dbraw/zinc/51/28/80/874512880.db2.gz ZOTQNNRNWSKJPK-OAHLLOKOSA-N 0 0 406.776 4.077 20 5 HIBDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000461453286 874513151 /nfs/dbraw/zinc/51/31/51/874513151.db2.gz ZPWIROXOUPJVGA-UHFFFAOYSA-N 0 0 417.259 4.054 20 5 HIBDRN COCC1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCCCC1 ZINC000461468849 874525936 /nfs/dbraw/zinc/52/59/36/874525936.db2.gz PWNXAPWNGVPQQE-UHFFFAOYSA-N 0 0 414.452 4.286 20 5 HIBDRN CC[C@@]1(c2ccc(NC/C(C)=C/c3cccc([N+](=O)[O-])c3)cc2)CCC(=O)NC1=O ZINC000468740867 882837245 /nfs/dbraw/zinc/83/72/45/882837245.db2.gz UFNYUMNVTKGVTM-IGVGMEOHSA-N 0 0 407.470 4.195 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(C(=O)NCc2ccccn2)c1 ZINC000468745693 882839930 /nfs/dbraw/zinc/83/99/30/882839930.db2.gz VLPYCGJFCQSIHT-ATVHPVEESA-N 0 0 402.454 4.435 20 5 HIBDRN C[C@H]1SCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)[C@H]1C ZINC000461497260 874568214 /nfs/dbraw/zinc/56/82/14/874568214.db2.gz KBJJQONTYQJELH-UONOGXRCSA-N 0 0 415.544 4.293 20 5 HIBDRN O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000461549784 874635721 /nfs/dbraw/zinc/63/57/21/874635721.db2.gz RYENGSDCRXJIJE-UHFFFAOYSA-N 0 0 405.414 4.030 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@H]3C3CCCC3)n2C[C@H]2CCOC2)cc1 ZINC000461558411 874649154 /nfs/dbraw/zinc/64/91/54/874649154.db2.gz ISARRZDLBMGHLW-UZLBHIALSA-N 0 0 411.506 4.049 20 5 HIBDRN Cc1cc2c(cc1C)N(c1nnc(-c3ccc([N+](=O)[O-])cc3)n1C[C@H]1CCOC1)CC2 ZINC000461567470 874665535 /nfs/dbraw/zinc/66/55/35/874665535.db2.gz SDXYSKDKIMLQBC-QGZVFWFLSA-N 0 0 419.485 4.201 20 5 HIBDRN CC(C)C[C@H]1CCCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 ZINC000461590068 874706255 /nfs/dbraw/zinc/70/62/55/874706255.db2.gz LNIVUVNAWMQWLO-IEBWSBKVSA-N 0 0 413.522 4.295 20 5 HIBDRN COc1cc(S(=O)(=O)N(Cc2cccs2)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000468777533 882855310 /nfs/dbraw/zinc/85/53/10/882855310.db2.gz BORXSWRWNJZNGX-UHFFFAOYSA-N 0 0 418.496 4.369 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000461633932 874789786 /nfs/dbraw/zinc/78/97/86/874789786.db2.gz KRHRFFMGZQKHAS-OAHLLOKOSA-N 0 0 408.911 4.280 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@H]3c3ccccc3)n2C[C@H]2CCOC2)cc1 ZINC000461638999 874795638 /nfs/dbraw/zinc/79/56/38/874795638.db2.gz CBLNBPVAWJSVIO-DYESRHJHSA-N 0 0 419.485 4.231 20 5 HIBDRN CC[C@@H](C)c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1CCCCO1 ZINC000461679315 874829799 /nfs/dbraw/zinc/82/97/99/874829799.db2.gz IDWYMQZVOFGEHC-UZLBHIALSA-N 0 0 413.522 4.438 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)[C@H]1c1ccccc1 ZINC000461683643 874834486 /nfs/dbraw/zinc/83/44/86/874834486.db2.gz ARABLMMMJJUDAJ-CBGDNZLLSA-N 0 0 419.485 4.087 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000468805199 882868109 /nfs/dbraw/zinc/86/81/09/882868109.db2.gz BTBXNWRDDUOBEQ-SFHVURJKSA-N 0 0 423.473 4.142 20 5 HIBDRN Cc1c(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)sc2c1CCCC2 ZINC000461706352 874855982 /nfs/dbraw/zinc/85/59/82/874855982.db2.gz TXTLCXGCTZILCR-UHFFFAOYSA-N 0 0 415.471 4.170 20 5 HIBDRN Cc1cc(N2CCC(c3nnc4ccccn43)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461721362 874869202 /nfs/dbraw/zinc/86/92/02/874869202.db2.gz BWBHZYDMXZLWCI-UHFFFAOYSA-N 0 0 405.380 4.349 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N(CC3CC3)CC3CC3)n2C[C@H]2CCCCO2)c1 ZINC000461822499 874948199 /nfs/dbraw/zinc/94/81/99/874948199.db2.gz BMJYZDIIHVYEAQ-HXUWFJFHSA-N 0 0 411.506 4.049 20 5 HIBDRN CCCc1c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cnn1Cc1ccccc1 ZINC000468839014 882884984 /nfs/dbraw/zinc/88/49/84/882884984.db2.gz CXFJRSYIHJBLKC-UHFFFAOYSA-N 0 0 415.453 4.593 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(c1nnc(-c2ccoc2)n1C[C@H]1CCCCO1)C1CC1 ZINC000461861703 875010982 /nfs/dbraw/zinc/01/09/82/875010982.db2.gz YWIMZVGWMJVZGC-LJQANCHMSA-N 0 0 423.473 4.184 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1C(=O)c1cccs1 ZINC000468848426 882888648 /nfs/dbraw/zinc/88/86/48/882888648.db2.gz FAGYYYUSUHMGSB-UHFFFAOYSA-N 0 0 400.843 4.471 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000461890455 875039573 /nfs/dbraw/zinc/03/95/73/875039573.db2.gz ROZUUZAURWZJKO-IBGZPJMESA-N 0 0 405.292 4.179 20 5 HIBDRN COc1ccc2c(c1)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)C2 ZINC000468858463 882893246 /nfs/dbraw/zinc/89/32/46/882893246.db2.gz FQLDHLOEDPEHQX-QHCPKHFHSA-N 0 0 417.465 4.342 20 5 HIBDRN CCc1nc2ccc(Cl)cn2c1C(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000462009805 875128983 /nfs/dbraw/zinc/12/89/83/875128983.db2.gz DGDBTCROSTYRGF-UHFFFAOYSA-N 0 0 424.848 4.205 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000462054815 875166555 /nfs/dbraw/zinc/16/65/55/875166555.db2.gz CELGMAVONPQXNS-HDJSIYSDSA-N 0 0 415.298 4.267 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC(=O)Nc2cnccc21 ZINC000462082570 875191397 /nfs/dbraw/zinc/19/13/97/875191397.db2.gz HEXPBJACRXCDOX-UHFFFAOYSA-N 0 0 424.800 4.034 20 5 HIBDRN COc1ccc(-n2ccc(CNc3ccc([N+](=O)[O-])cc3Br)n2)cc1 ZINC000462096563 875205460 /nfs/dbraw/zinc/20/54/60/875205460.db2.gz JVBNUPPEMRNKOW-UHFFFAOYSA-N 0 0 403.236 4.164 20 5 HIBDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000468873282 882906422 /nfs/dbraw/zinc/90/64/22/882906422.db2.gz HFHIHWVTGSUPJG-UHFFFAOYSA-N 0 0 412.396 4.172 20 5 HIBDRN Cc1c(CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000462210397 875319213 /nfs/dbraw/zinc/31/92/13/875319213.db2.gz OFBQPXPSDUNJJH-UHFFFAOYSA-N 0 0 403.504 4.080 20 5 HIBDRN Cc1nc(C(F)(F)F)sc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000462214423 875322262 /nfs/dbraw/zinc/32/22/62/875322262.db2.gz ZMYGBFXZZYDAQZ-UHFFFAOYSA-N 0 0 415.393 4.062 20 5 HIBDRN CS(=O)(=O)Cc1nc(CNc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000462225925 875334616 /nfs/dbraw/zinc/33/46/16/875334616.db2.gz IEIBYTWDVHIZKC-UHFFFAOYSA-N 0 0 419.484 4.000 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000462225438 875335988 /nfs/dbraw/zinc/33/59/88/875335988.db2.gz NXMQXOGFZWMGGO-UHFFFAOYSA-N 0 0 406.504 4.317 20 5 HIBDRN Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462269907 875398068 /nfs/dbraw/zinc/39/80/68/875398068.db2.gz PCKGVVPSJQYSRC-GFCCVEGCSA-N 0 0 415.298 4.388 20 5 HIBDRN C=Cc1ccc(CCNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 ZINC000462362510 875474753 /nfs/dbraw/zinc/47/47/53/875474753.db2.gz AGSLIPNXWBPVFC-UHFFFAOYSA-N 0 0 404.470 4.072 20 5 HIBDRN Cc1nn(C)c2cc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)ccc12 ZINC000462364503 875477752 /nfs/dbraw/zinc/47/77/52/875477752.db2.gz IBKCNYMTRCWOGO-UHFFFAOYSA-N 0 0 403.236 4.113 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CCC(OC(C)(C)C)CC3)cc2[N+](=O)[O-])CC1 ZINC000468889922 882934298 /nfs/dbraw/zinc/93/42/98/882934298.db2.gz HAGMUZKFKVCFEA-UHFFFAOYSA-N 0 0 403.523 4.251 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2nn(-c3ccccc3)c3c2CCC3)cc1OC(F)F ZINC000462383453 875496846 /nfs/dbraw/zinc/49/68/46/875496846.db2.gz JXFRBUWZVBIVRZ-UHFFFAOYSA-N 0 0 400.385 4.483 20 5 HIBDRN CC(C)n1cnnc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462485663 875595472 /nfs/dbraw/zinc/59/54/72/875595472.db2.gz FDESMYOZBAEOOP-GOSISDBHSA-N 0 0 422.489 4.125 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000462489550 875600622 /nfs/dbraw/zinc/60/06/22/875600622.db2.gz KZIMTYKRPHBINJ-SFHVURJKSA-N 0 0 413.543 4.351 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000462494850 875605758 /nfs/dbraw/zinc/60/57/58/875605758.db2.gz MUMMOUYSYCOLTA-AWEZNQCLSA-N 0 0 403.866 4.157 20 5 HIBDRN COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000462496301 875608813 /nfs/dbraw/zinc/60/88/13/875608813.db2.gz QLDIUASHAJAEFP-ZDUSSCGKSA-N 0 0 418.496 4.371 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000462499038 875612185 /nfs/dbraw/zinc/61/21/85/875612185.db2.gz GLERNHOPCZMUEN-AEFFLSMTSA-N 0 0 409.486 4.168 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000462502136 875617649 /nfs/dbraw/zinc/61/76/49/875617649.db2.gz NTGIHJKBGWLZNW-IAGOWNOFSA-N 0 0 400.479 4.076 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OCCn1ccnc1 ZINC000462506589 875622573 /nfs/dbraw/zinc/62/25/73/875622573.db2.gz SHKZRQZXKGBCOG-GOSISDBHSA-N 0 0 408.458 4.078 20 5 HIBDRN O=C(N[C@@H]1c2ccccc2CC12CCOCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000462535753 875656046 /nfs/dbraw/zinc/65/60/46/875656046.db2.gz QDNHIRLJKOKIFX-JOCHJYFZSA-N 0 0 421.497 4.363 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N([C@H](C)c1ccccc1Cl)C1CC1 ZINC000462536214 875656128 /nfs/dbraw/zinc/65/61/28/875656128.db2.gz HZGSQBNGWRRWSR-GFCCVEGCSA-N 0 0 410.879 4.171 20 5 HIBDRN COc1cc(C)c(Br)cc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000462537610 875658487 /nfs/dbraw/zinc/65/84/87/875658487.db2.gz LKMYSCTVORYNIZ-UHFFFAOYSA-N 0 0 419.235 4.336 20 5 HIBDRN Cc1nc(CCC(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)oc1-c1ccccc1 ZINC000462598378 875714227 /nfs/dbraw/zinc/71/42/27/875714227.db2.gz VJTZAOWJQFNLFI-UHFFFAOYSA-N 0 0 416.437 4.408 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)Cc1cc(C)nn1-c1ccccc1 ZINC000462608503 875720489 /nfs/dbraw/zinc/72/04/89/875720489.db2.gz XUXRUVSQOPNKOX-XLIONFOSSA-N 0 0 420.513 4.405 20 5 HIBDRN CCc1cc(NC(=O)c2ccc(NC(C)=O)c(SC)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462610201 875723014 /nfs/dbraw/zinc/72/30/14/875723014.db2.gz BVOMSWMSVFRHCQ-UHFFFAOYSA-N 0 0 424.482 4.060 20 5 HIBDRN CCS[C@H](C)c1noc(CN(C)C(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000462611940 875725136 /nfs/dbraw/zinc/72/51/36/875725136.db2.gz GHCSNAKONSLDAM-UKRRQHHQSA-N 0 0 406.508 4.019 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1 ZINC000462616471 875728096 /nfs/dbraw/zinc/72/80/96/875728096.db2.gz NNWMPERKCZMASN-AWEZNQCLSA-N 0 0 420.849 4.007 20 5 HIBDRN CCc1cc(NC(=O)c2cnn(CC(C)C)c2C(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000462617908 875729463 /nfs/dbraw/zinc/72/94/63/875729463.db2.gz AUCDXIDZFBWLQS-UHFFFAOYSA-N 0 0 417.416 4.170 20 5 HIBDRN CCc1noc(COc2ccc(OCc3cc([N+](=O)[O-])ccc3OC(C)C)cc2)n1 ZINC000462620183 875733032 /nfs/dbraw/zinc/73/30/32/875733032.db2.gz FQLUFLGCGZDCBA-UHFFFAOYSA-N 0 0 413.430 4.485 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000462643922 875753669 /nfs/dbraw/zinc/75/36/69/875753669.db2.gz WMOJGBRJRINIPP-GGAORHGYSA-N 0 0 410.514 4.414 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)s1 ZINC000462684293 875776392 /nfs/dbraw/zinc/77/63/92/875776392.db2.gz VBIDZCVJBKIDGV-UHFFFAOYSA-N 0 0 404.444 4.214 20 5 HIBDRN COC[C@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1ccc(F)c(F)c1 ZINC000462686414 875778630 /nfs/dbraw/zinc/77/86/30/875778630.db2.gz BBIQZNDSWNPMHW-SFHVURJKSA-N 0 0 415.396 4.647 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CC[C@H](n3cnc4ccccc43)C2)nc1OCc1ccccc1 ZINC000462692268 875783067 /nfs/dbraw/zinc/78/30/67/875783067.db2.gz OKPGVGSPWORPAU-SFHVURJKSA-N 0 0 415.453 4.370 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2nc3ccccc3n2C2CC2)nc1OCc1ccccc1 ZINC000462711001 875794555 /nfs/dbraw/zinc/79/45/55/875794555.db2.gz YHIZSISNHAYSRM-UHFFFAOYSA-N 0 0 415.453 4.866 20 5 HIBDRN CC[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000462720151 875798873 /nfs/dbraw/zinc/79/88/73/875798873.db2.gz IUHNPCFLGALCMH-NSHDSACASA-N 0 0 417.270 4.268 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000462722520 875800213 /nfs/dbraw/zinc/80/02/13/875800213.db2.gz PPXYBIJZUFTDBI-RDTXWAMCSA-N 0 0 424.906 4.016 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H](C)c2ccc(Cl)c3ccccc32)c(C)c1[N+](=O)[O-] ZINC000462723623 875801609 /nfs/dbraw/zinc/80/16/09/875801609.db2.gz UDIFBMBGYKPGDZ-GFCCVEGCSA-N 0 0 400.866 4.482 20 5 HIBDRN C[C@@H](Nc1nc(N[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])s1)c1cccc(O)c1 ZINC000462806816 875853592 /nfs/dbraw/zinc/85/35/92/875853592.db2.gz XQQOTQUDRYTCPF-NWDGAFQWSA-N 0 0 400.460 4.809 20 5 HIBDRN CN(CCc1cccc(Br)c1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000462841232 875876387 /nfs/dbraw/zinc/87/63/87/875876387.db2.gz OPEADTODABKCNO-UHFFFAOYSA-N 0 0 416.275 4.082 20 5 HIBDRN CSc1ccc(C(=O)N(C)CCc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000462849930 875884311 /nfs/dbraw/zinc/88/43/11/875884311.db2.gz GGLSIWLILPTKRM-UHFFFAOYSA-N 0 0 409.305 4.394 20 5 HIBDRN COc1cc(N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000462852498 875887155 /nfs/dbraw/zinc/88/71/55/875887155.db2.gz LFLHOOXNOLYGPP-UHFFFAOYSA-N 0 0 409.486 4.011 20 5 HIBDRN COc1cc(C)c(Br)cc1NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000462859588 875892642 /nfs/dbraw/zinc/89/26/42/875892642.db2.gz CXMPAHTXBQAGER-UHFFFAOYSA-N 0 0 424.251 4.005 20 5 HIBDRN O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCCN1c1ccccc1Cl ZINC000462882646 875909958 /nfs/dbraw/zinc/90/99/58/875909958.db2.gz GDUOYUHCXFPTAM-ZDUSSCGKSA-N 0 0 411.792 4.457 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000462900203 875924892 /nfs/dbraw/zinc/92/48/92/875924892.db2.gz KGPAXESQMJIJEG-KRWDZBQOSA-N 0 0 404.470 4.356 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000462900233 875925009 /nfs/dbraw/zinc/92/50/09/875925009.db2.gz KPRPONRQKVFCIJ-YLJYHZDGSA-N 0 0 410.470 4.298 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1Oc1ncnc2c1cnn2-c1ccccc1 ZINC000462906340 875932078 /nfs/dbraw/zinc/93/20/78/875932078.db2.gz LPBQSMFMBYBORJ-UHFFFAOYSA-N 0 0 412.203 4.279 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000462914525 875940074 /nfs/dbraw/zinc/94/00/74/875940074.db2.gz QZPMVWNWWIRCLC-QFBILLFUSA-N 0 0 404.850 4.054 20 5 HIBDRN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462919342 875947142 /nfs/dbraw/zinc/94/71/42/875947142.db2.gz OSXOYIKQCGWORV-QFBILLFUSA-N 0 0 409.467 4.368 20 5 HIBDRN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462921018 875949221 /nfs/dbraw/zinc/94/92/21/875949221.db2.gz CEWKQJSDEJYGNM-QFBILLFUSA-N 0 0 409.467 4.368 20 5 HIBDRN CNc1c(C(=O)Nc2nnc(SCc3ccccc3)s2)cccc1[N+](=O)[O-] ZINC000462922514 875951884 /nfs/dbraw/zinc/95/18/84/875951884.db2.gz AHGFLKADCBGZFR-UHFFFAOYSA-N 0 0 401.473 4.033 20 5 HIBDRN CNc1c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000462926863 875955634 /nfs/dbraw/zinc/95/56/34/875955634.db2.gz RKBLJFMYMBSDTC-UHFFFAOYSA-N 0 0 414.805 4.388 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000462932154 875960425 /nfs/dbraw/zinc/96/04/25/875960425.db2.gz JTVBDTZYXKYDGY-OXQOHEQNSA-N 0 0 402.878 4.417 20 5 HIBDRN CO[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000462933687 875961381 /nfs/dbraw/zinc/96/13/81/875961381.db2.gz WFTHSMDOFDFEPK-SFHVURJKSA-N 0 0 414.849 4.012 20 5 HIBDRN O=[N+]([O-])c1ccc(OC2CCN(c3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000462942294 875965378 /nfs/dbraw/zinc/96/53/78/875965378.db2.gz KZVCKLJPOFGDJH-UHFFFAOYSA-N 0 0 400.822 4.346 20 5 HIBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000462945662 875966622 /nfs/dbraw/zinc/96/66/22/875966622.db2.gz SHWLCDYUJUYIOG-HNNXBMFYSA-N 0 0 424.888 4.076 20 5 HIBDRN 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ZINC000463082350 876114715 /nfs/dbraw/zinc/11/47/15/876114715.db2.gz CKHJFMCBCLTATB-DYVFJYSZSA-N 0 0 405.248 4.007 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000463082872 876114847 /nfs/dbraw/zinc/11/48/47/876114847.db2.gz FPBSHMSXCODVKG-DVECYGJZSA-N 0 0 412.489 4.191 20 5 HIBDRN CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000463087457 876120088 /nfs/dbraw/zinc/12/00/88/876120088.db2.gz LVJVMDNHICXYTE-UHFFFAOYSA-N 0 0 423.391 4.026 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463109499 876148807 /nfs/dbraw/zinc/14/88/07/876148807.db2.gz KODKMVZHNZKIFJ-UHFFFAOYSA-N 0 0 402.712 4.291 20 5 HIBDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463119524 876161757 /nfs/dbraw/zinc/16/17/57/876161757.db2.gz JTKNKTHPLFWPKN-HNNXBMFYSA-N 0 0 410.348 4.424 20 5 HIBDRN Cn1ccnc1COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000463118702 876161876 /nfs/dbraw/zinc/16/18/76/876161876.db2.gz 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COc1cc(CNc2ncccc2OC(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000463249556 876306125 /nfs/dbraw/zinc/30/61/25/876306125.db2.gz FZSWYJFANOCRDS-UHFFFAOYSA-N 0 0 423.294 4.153 20 5 HIBDRN COc1cc(CCNC(=O)C2CCC(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000463352231 876404738 /nfs/dbraw/zinc/40/47/38/876404738.db2.gz POFLLGRMHNSCQC-UHFFFAOYSA-N 0 0 412.486 4.245 20 5 HIBDRN CCc1ccc(-c2ccc(C(=O)NCCc3cc(OC)c(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000463353418 876406117 /nfs/dbraw/zinc/40/61/17/876406117.db2.gz VMOVIHVIHHIHEV-UHFFFAOYSA-N 0 0 424.453 4.407 20 5 HIBDRN CCn1c(Cc2ccccc2)nnc1SCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463389967 876444969 /nfs/dbraw/zinc/44/49/69/876444969.db2.gz HDUHXSRSSCYPMR-UHFFFAOYSA-N 0 0 402.451 4.237 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(OCCc2ccccc2)CC1 ZINC000463512211 876575672 /nfs/dbraw/zinc/57/56/72/876575672.db2.gz FHKDKKPUEOHQDH-UHFFFAOYSA-N 0 0 422.403 4.478 20 5 HIBDRN COc1cccc(N(CC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000463528223 876601380 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ZINC000463744194 876866576 /nfs/dbraw/zinc/86/65/76/876866576.db2.gz HWFKAOWRXDDQNI-UHFFFAOYSA-N 0 0 408.183 4.049 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1SCCCS(=O)(=O)c1ccccc1 ZINC000463775597 876895428 /nfs/dbraw/zinc/89/54/28/876895428.db2.gz PHPZQVKEXGKQFG-UHFFFAOYSA-N 0 0 416.318 4.313 20 5 HIBDRN O=C(NCCOc1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463796714 876914755 /nfs/dbraw/zinc/91/47/55/876914755.db2.gz FURRDMIUKVEHEZ-UHFFFAOYSA-N 0 0 422.281 4.441 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSc3ccc(C(F)(F)F)cc32)c(F)c1 ZINC000469010649 883077193 /nfs/dbraw/zinc/07/71/93/883077193.db2.gz OUNPPUZNSVOONB-UHFFFAOYSA-N 0 0 422.381 4.054 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463899401 877021140 /nfs/dbraw/zinc/02/11/40/877021140.db2.gz WFMJQVULMKJAEZ-UHFFFAOYSA-N 0 0 418.247 4.142 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000463907094 877029887 /nfs/dbraw/zinc/02/98/87/877029887.db2.gz 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Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000464041746 877179191 /nfs/dbraw/zinc/17/91/91/877179191.db2.gz IEKKTXYRNXIELH-QGZVFWFLSA-N 0 0 423.494 4.312 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000464044116 877184281 /nfs/dbraw/zinc/18/42/81/877184281.db2.gz SBTJBMRGNPAPHG-GFCCVEGCSA-N 0 0 409.364 4.046 20 5 HIBDRN CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000464048054 877189474 /nfs/dbraw/zinc/18/94/74/877189474.db2.gz YUAJVARNJTXEQM-CQSZACIVSA-N 0 0 401.488 4.140 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000464052727 877194460 /nfs/dbraw/zinc/19/44/60/877194460.db2.gz YLWPCLJDBFVVEJ-SFHVURJKSA-N 0 0 419.428 4.332 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000464054346 877197409 /nfs/dbraw/zinc/19/74/09/877197409.db2.gz PIHUDAITLNDMFL-FQEVSTJZSA-N 0 0 413.449 4.337 20 5 HIBDRN COc1cc(CNc2ccc(Cl)cc2C(=O)N2CCCC2)c([N+](=O)[O-])cc1F ZINC000464089027 877242674 /nfs/dbraw/zinc/24/26/74/877242674.db2.gz JQEINIFCLMBOOT-UHFFFAOYSA-N 0 0 407.829 4.244 20 5 HIBDRN CSc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)c2ccc(F)c(F)c2)c1 ZINC000464133583 877293145 /nfs/dbraw/zinc/29/31/45/877293145.db2.gz NADHJJHKSSHTSE-SFHVURJKSA-N 0 0 403.410 4.442 20 5 HIBDRN COc1ccccc1C[C@@H](C)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000464164440 877330804 /nfs/dbraw/zinc/33/08/04/877330804.db2.gz PBWFFNXVGUWJHO-GOSISDBHSA-N 0 0 414.505 4.253 20 5 HIBDRN CC(C)(CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1c(F)cccc1Cl ZINC000464171728 877338062 /nfs/dbraw/zinc/33/80/62/877338062.db2.gz UFMSPUFRSRCWNL-UHFFFAOYSA-N 0 0 417.824 4.349 20 5 HIBDRN CSc1ccc(S(=O)(=O)n2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1Cl ZINC000464197156 877368705 /nfs/dbraw/zinc/36/87/05/877368705.db2.gz DRMZHKFDOJSBQT-UHFFFAOYSA-N 0 0 409.876 4.071 20 5 HIBDRN COc1cc(C(=O)NCc2c(OC(C)C)ccc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000464272840 877457831 /nfs/dbraw/zinc/45/78/31/877457831.db2.gz DPGJWRFEFMBMPC-UHFFFAOYSA-N 0 0 424.453 4.482 20 5 HIBDRN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000464316091 877506372 /nfs/dbraw/zinc/50/63/72/877506372.db2.gz XORJZUSLIAHYDL-AWEZNQCLSA-N 0 0 422.268 4.365 20 5 HIBDRN Cc1nn(CCC(=O)NCc2c(OC(C)C)ccc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000464315099 877506769 /nfs/dbraw/zinc/50/67/69/877506769.db2.gz QCGKAAZYQNUAMD-UHFFFAOYSA-N 0 0 410.474 4.055 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)c2nccs2)CC1 ZINC000464324619 877513199 /nfs/dbraw/zinc/51/31/99/877513199.db2.gz CIWVVGNPXIIZMC-AWEZNQCLSA-N 0 0 420.560 4.072 20 5 HIBDRN O=C(NCc1cccc(-c2cccnc2)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000464324989 877515475 /nfs/dbraw/zinc/51/54/75/877515475.db2.gz AMQUBVPGLBDORJ-UHFFFAOYSA-N 0 0 412.243 4.349 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000464344706 877535920 /nfs/dbraw/zinc/53/59/20/877535920.db2.gz 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O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccccc1S(=O)(=O)C1CCCC1 ZINC000464571089 877790463 /nfs/dbraw/zinc/79/04/63/877790463.db2.gz PWWGWIUAXNMPFM-UHFFFAOYSA-N 0 0 420.512 4.042 20 5 HIBDRN O=C(NC1(c2cccc(F)c2)CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000464574067 877795587 /nfs/dbraw/zinc/79/55/87/877795587.db2.gz WPTVEACYAORGJV-UHFFFAOYSA-N 0 0 400.431 4.384 20 5 HIBDRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000464589133 877813965 /nfs/dbraw/zinc/81/39/65/877813965.db2.gz XJDBFCYCGSPPBO-QFIPXVFZSA-N 0 0 410.514 4.431 20 5 HIBDRN CO[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000464594220 877821423 /nfs/dbraw/zinc/82/14/23/877821423.db2.gz PYNDLRMPBBCEIV-QGZVFWFLSA-N 0 0 413.257 4.174 20 5 HIBDRN CO[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(Cl)c1 ZINC000464597274 877824032 /nfs/dbraw/zinc/82/40/32/877824032.db2.gz HCTJIOGXTWRPQL-QGZVFWFLSA-N 0 0 417.874 4.489 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])c2ccccc2Cl)c(C)c1 ZINC000464631764 877848766 /nfs/dbraw/zinc/84/87/66/877848766.db2.gz CRMIBCOMKVVDSR-QGZVFWFLSA-N 0 0 414.849 4.116 20 5 HIBDRN O=C(CCCOc1ccc(Cl)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464633867 877851369 /nfs/dbraw/zinc/85/13/69/877851369.db2.gz GQPPDTVFSKXFMN-UHFFFAOYSA-N 0 0 418.877 4.477 20 5 HIBDRN C[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2cc(Cl)ccc2O1 ZINC000464635046 877853032 /nfs/dbraw/zinc/85/30/32/877853032.db2.gz BQEWZPOBEYOKJU-AWEZNQCLSA-N 0 0 415.877 4.279 20 5 HIBDRN C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Oc1ccc(Br)cc1 ZINC000464637747 877855458 /nfs/dbraw/zinc/85/54/58/877855458.db2.gz JDSYHERNADTWIF-NSHDSACASA-N 0 0 419.231 4.301 20 5 HIBDRN CC(C)Oc1ccc(Cl)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000464664567 877884269 /nfs/dbraw/zinc/88/42/69/877884269.db2.gz BAOJFOIVPGFMRG-UHFFFAOYSA-N 0 0 400.822 4.473 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000464672679 877891401 /nfs/dbraw/zinc/89/14/01/877891401.db2.gz 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420.512 4.119 20 5 HIBDRN CCCN(CCC)C(=O)c1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466272528 880009568 /nfs/dbraw/zinc/00/95/68/880009568.db2.gz PKXBQOSKMWIZSA-UHFFFAOYSA-N 0 0 417.893 4.440 20 5 HIBDRN Cn1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])nc2cccc(Cl)c21 ZINC000466282382 880022799 /nfs/dbraw/zinc/02/27/99/880022799.db2.gz CVGBHMSHPDBPFO-UHFFFAOYSA-N 0 0 409.627 4.150 20 5 HIBDRN CCOc1c(Cl)cc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1Cl ZINC000466285327 880027820 /nfs/dbraw/zinc/02/78/20/880027820.db2.gz FDRAJQHXKBCHBB-UHFFFAOYSA-N 0 0 401.250 4.142 20 5 HIBDRN COc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)sc1Br ZINC000466294501 880040165 /nfs/dbraw/zinc/04/01/65/880040165.db2.gz ZUTFEXCDFAYCEZ-UHFFFAOYSA-N 0 0 405.657 4.011 20 5 HIBDRN O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466301537 880049068 /nfs/dbraw/zinc/04/90/68/880049068.db2.gz XTNYYGHIGBVZOV-UHFFFAOYSA-N 0 0 405.385 4.189 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cc1SC ZINC000466310312 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421.682 4.486 20 5 HIBDRN O=[N+]([O-])c1ccc(CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)c(Cl)c1 ZINC000466468359 880249591 /nfs/dbraw/zinc/24/95/91/880249591.db2.gz FNAKJPFWWKSNIK-UHFFFAOYSA-N 0 0 412.664 4.426 20 5 HIBDRN C[C@@H]1CCCN(Cc2csc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000466474536 880256713 /nfs/dbraw/zinc/25/67/13/880256713.db2.gz PAXFVNKWVCWDAH-GFCCVEGCSA-N 0 0 423.926 4.258 20 5 HIBDRN Cc1c(-c2cc(COc3ccc(Cc4ccccc4)cc3[N+](=O)[O-])on2)cnn1C ZINC000466492597 880270005 /nfs/dbraw/zinc/27/00/05/880270005.db2.gz PCQGYWIBAYGWFN-UHFFFAOYSA-N 0 0 404.426 4.462 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(NCCc3cn4c(n3)SCC4)c([N+](=O)[O-])c2)cc1 ZINC000466491311 880270214 /nfs/dbraw/zinc/27/02/14/880270214.db2.gz UWGGIMNVOUZASX-UHFFFAOYSA-N 0 0 423.498 4.112 20 5 HIBDRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)n1 ZINC000466503390 880278186 /nfs/dbraw/zinc/27/81/86/880278186.db2.gz MBYARJHLQDYDBK-UHFFFAOYSA-N 0 0 420.256 4.029 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000466507630 880281624 /nfs/dbraw/zinc/28/16/24/880281624.db2.gz XGYSNLCTXWVEPC-CQSZACIVSA-N 0 0 417.487 4.001 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000466512298 880285433 /nfs/dbraw/zinc/28/54/33/880285433.db2.gz BVJNMZKKWVRIRL-UHFFFAOYSA-N 0 0 410.405 4.059 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000466521641 880298832 /nfs/dbraw/zinc/29/88/32/880298832.db2.gz YZOQDFXYWQAOIU-UHFFFAOYSA-N 0 0 400.822 4.300 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000466525215 880301019 /nfs/dbraw/zinc/30/10/19/880301019.db2.gz ABEFKMFEYRKNRV-UHFFFAOYSA-N 0 0 402.300 4.187 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NCc1cc(Br)ccc1F ZINC000466572464 880348424 /nfs/dbraw/zinc/34/84/24/880348424.db2.gz HHMZFFIXINDOLT-UHFFFAOYSA-N 0 0 416.634 4.149 20 5 HIBDRN O=C(NCc1cc(Br)cs1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466589139 880361231 /nfs/dbraw/zinc/36/12/31/880361231.db2.gz QLVGZQABHIMIHO-UHFFFAOYSA-N 0 0 404.673 4.072 20 5 HIBDRN COC(=O)C[C@@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466598565 880368804 /nfs/dbraw/zinc/36/88/04/880368804.db2.gz RJMDFHHPOJLDKZ-LLVKDONJSA-N 0 0 408.863 4.081 20 5 HIBDRN Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000466615191 880385489 /nfs/dbraw/zinc/38/54/89/880385489.db2.gz CNOYMKQLFDEWPQ-UHFFFAOYSA-N 0 0 408.439 4.164 20 5 HIBDRN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1OC(C)C ZINC000466654611 880431564 /nfs/dbraw/zinc/43/15/64/880431564.db2.gz JFYQWDHTPSRPLJ-UHFFFAOYSA-N 0 0 424.356 4.022 20 5 HIBDRN COC(=O)c1cccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1OC(C)C ZINC000466658870 880438796 /nfs/dbraw/zinc/43/87/96/880438796.db2.gz IAYQOUWIGLEBET-UHFFFAOYSA-N 0 0 404.444 4.143 20 5 HIBDRN CCCCOc1ccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000466737809 880521570 /nfs/dbraw/zinc/52/15/70/880521570.db2.gz LFWKILDQBOSFIT-UHFFFAOYSA-N 0 0 412.895 4.047 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(c2cccc(Br)c2)CC1 ZINC000466784954 880563819 /nfs/dbraw/zinc/56/38/19/880563819.db2.gz AIGHOZSUSGZZQL-UHFFFAOYSA-N 0 0 419.275 4.142 20 5 HIBDRN CSc1cccc(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)c1[N+](=O)[O-] ZINC000466790236 880568856 /nfs/dbraw/zinc/56/88/56/880568856.db2.gz SKAACEQOCZVHPF-UHFFFAOYSA-N 0 0 402.863 4.717 20 5 HIBDRN C[C@H](Cn1ccnc1)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466790694 880570313 /nfs/dbraw/zinc/57/03/13/880570313.db2.gz MRRQBVRQIWLVKX-CYBMUJFWSA-N 0 0 416.890 4.414 20 5 HIBDRN COc1c(C(=O)N2CCC(c3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] ZINC000466799872 880578355 /nfs/dbraw/zinc/57/83/55/880578355.db2.gz GHWYIDRYQNTEFD-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN CSc1ccc(F)cc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000466820791 880593846 /nfs/dbraw/zinc/59/38/46/880593846.db2.gz DNINOZUAGOEMMK-UHFFFAOYSA-N 0 0 401.366 4.379 20 5 HIBDRN COCC[C@@H]1CCCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000466830558 880600837 /nfs/dbraw/zinc/60/08/37/880600837.db2.gz FYAPWPFCVGXAGU-AWEZNQCLSA-N 0 0 417.428 4.081 20 5 HIBDRN COCc1ccc([C@@H]2CCCN2C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])o1 ZINC000466846725 880616173 /nfs/dbraw/zinc/61/61/73/880616173.db2.gz BVNTVKQBVOPMTI-AWEZNQCLSA-N 0 0 406.460 4.042 20 5 HIBDRN C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000466890100 880657697 /nfs/dbraw/zinc/65/76/97/880657697.db2.gz HHGKJEMUPNRAKR-VQIMIIECSA-N 0 0 404.470 4.404 20 5 HIBDRN CO[C@H](CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])C(C)C ZINC000467018087 880820984 /nfs/dbraw/zinc/82/09/84/880820984.db2.gz DFZZHRNKRZGCLY-HXUWFJFHSA-N 0 0 421.519 4.095 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000467069806 880850157 /nfs/dbraw/zinc/85/01/57/880850157.db2.gz MDDQSBDJOTXWHE-LBPRGKRZSA-N 0 0 420.434 4.162 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cc2c(cc1Cl)OCCCO2 ZINC000467090448 880856440 /nfs/dbraw/zinc/85/64/40/880856440.db2.gz IFOVVQUJLIWBGR-UHFFFAOYSA-N 0 0 412.229 4.385 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(N2CCCCC2=O)c1 ZINC000467090804 880856842 /nfs/dbraw/zinc/85/68/42/880856842.db2.gz LZQZCQWEUOGQBD-UHFFFAOYSA-N 0 0 402.838 4.087 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000467150194 880887974 /nfs/dbraw/zinc/88/79/74/880887974.db2.gz HFKMCHPNQQPUEJ-KRWDZBQOSA-N 0 0 405.838 4.128 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1CN1CCSCC1 ZINC000467154416 880889216 /nfs/dbraw/zinc/88/92/16/880889216.db2.gz ZBBZWWXUPUXKKV-UHFFFAOYSA-N 0 0 420.922 4.119 20 5 HIBDRN Cc1c(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cccc1C(=O)N1CCCC1 ZINC000467160671 880892976 /nfs/dbraw/zinc/89/29/76/880892976.db2.gz TWJJZCOPLZORRP-UHFFFAOYSA-N 0 0 416.865 4.114 20 5 HIBDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467166602 880896999 /nfs/dbraw/zinc/89/69/99/880896999.db2.gz URFGKLUOSHPFRU-UHFFFAOYSA-N 0 0 416.865 4.114 20 5 HIBDRN O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4ccc(N5CCCCC5)cc4)no3)n2)c1 ZINC000467253610 880984273 /nfs/dbraw/zinc/98/42/73/880984273.db2.gz KJINLFUDRKZECL-UHFFFAOYSA-N 0 0 416.441 4.488 20 5 HIBDRN O=[N+]([O-])c1cc(CSCc2nnc(-c3ccccc3)s2)c2c(c1)COCO2 ZINC000467315517 881062302 /nfs/dbraw/zinc/06/23/02/881062302.db2.gz QKSYZBAEISHQBU-UHFFFAOYSA-N 0 0 401.469 4.413 20 5 HIBDRN C[C@@]1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCCS1 ZINC000467328018 881076850 /nfs/dbraw/zinc/07/68/50/881076850.db2.gz QNWVGELVODXGPM-INIZCTEOSA-N 0 0 415.302 4.103 20 5 HIBDRN COCCn1ccc2ccc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc21 ZINC000467458134 881266467 /nfs/dbraw/zinc/26/64/67/881266467.db2.gz NYDSDILHUZUPHN-UHFFFAOYSA-N 0 0 402.838 4.171 20 5 HIBDRN CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000503579311 912662193 /nfs/dbraw/zinc/66/21/93/912662193.db2.gz LRVHYRPBHHKIHZ-QFIPXVFZSA-N 0 0 419.481 4.403 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(OC[C@@H]2CCCO2)c1 ZINC000467467641 881282926 /nfs/dbraw/zinc/28/29/26/881282926.db2.gz ZCEXQIAEBQCFSU-SFHVURJKSA-N 0 0 413.474 4.400 20 5 HIBDRN Cc1cccc(C(=O)Nc2cc(F)c(F)cc2I)c1[N+](=O)[O-] ZINC000467472792 881289317 /nfs/dbraw/zinc/28/93/17/881289317.db2.gz ABILMZBJAGWXMC-UHFFFAOYSA-N 0 0 418.137 4.038 20 5 HIBDRN CCOC(=O)C[C@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467517985 881334746 /nfs/dbraw/zinc/33/47/46/881334746.db2.gz BHTSQJCOSOJARC-LBPRGKRZSA-N 0 0 422.890 4.471 20 5 HIBDRN Cc1ccn(-c2ccccc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000469071307 883153062 /nfs/dbraw/zinc/15/30/62/883153062.db2.gz UBHOEWRNNAUJKM-ZDUSSCGKSA-N 0 0 400.822 4.148 20 5 HIBDRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000469093724 883183576 /nfs/dbraw/zinc/18/35/76/883183576.db2.gz RBSGIGBPRBDQCO-CYBMUJFWSA-N 0 0 404.430 4.419 20 5 HIBDRN CC1(C)[C@@H](C(F)(F)F)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000469113900 883206243 /nfs/dbraw/zinc/20/62/43/883206243.db2.gz CNQPUDVOBOATSM-JTQLQIEISA-N 0 0 421.224 4.253 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CC[C@H](C)[C@H](n4ccnc4)C3)c([N+](=O)[O-])c2)cc1 ZINC000469137021 883233248 /nfs/dbraw/zinc/23/32/48/883233248.db2.gz ZZUNORVUYDVFLS-HTAPYJJXSA-N 0 0 419.485 4.440 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1c(F)cccc1NC1CC1 ZINC000469146002 883241155 /nfs/dbraw/zinc/24/11/55/883241155.db2.gz ZVBAGZPSZLLKPQ-UHFFFAOYSA-N 0 0 408.227 4.252 20 5 HIBDRN CC(C)CO[C@H]1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000469202839 883302894 /nfs/dbraw/zinc/30/28/94/883302894.db2.gz ONZBHTHCOFEZIW-AEFFLSMTSA-N 0 0 412.490 4.050 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](OCC(C)C)C2)cc1 ZINC000469202365 883303041 /nfs/dbraw/zinc/30/30/41/883303041.db2.gz DLNYZSJJDVBINT-IBGZPJMESA-N 0 0 414.458 4.283 20 5 HIBDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000469227022 883326692 /nfs/dbraw/zinc/32/66/92/883326692.db2.gz QLSLUQBDTPXZLA-CYBMUJFWSA-N 0 0 400.385 4.167 20 5 HIBDRN O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000469257864 883355740 /nfs/dbraw/zinc/35/57/40/883355740.db2.gz VIHCMIZAGZQAAD-KRWDZBQOSA-N 0 0 422.441 4.031 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000469298040 883395001 /nfs/dbraw/zinc/39/50/01/883395001.db2.gz YVMWCUFWIHMADT-CYBMUJFWSA-N 0 0 407.854 4.021 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)cc1SC ZINC000469367939 883491983 /nfs/dbraw/zinc/49/19/83/883491983.db2.gz SQSSHHQGXUFHOE-NSHDSACASA-N 0 0 408.426 4.233 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000469416965 883591615 /nfs/dbraw/zinc/59/16/15/883591615.db2.gz XJENQMRNKVXRGU-UHFFFAOYSA-N 0 0 408.426 4.050 20 5 HIBDRN CCCCN(Cc1ccccc1Cl)C(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000469416532 883592024 /nfs/dbraw/zinc/59/20/24/883592024.db2.gz RKPWZYJTSUVDIR-KRWDZBQOSA-N 0 0 421.929 4.310 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)C2 ZINC000469458037 883667312 /nfs/dbraw/zinc/66/73/12/883667312.db2.gz ZCMDWZSDWBDBKN-QHCPKHFHSA-N 0 0 402.450 4.472 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc2c1OCCC2=O ZINC000503636068 912738092 /nfs/dbraw/zinc/73/80/92/912738092.db2.gz USDPGGIIOFEZOQ-UHFFFAOYSA-N 0 0 423.347 4.020 20 5 HIBDRN O=C(c1cc(Br)c(F)cc1F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000469673398 883863775 /nfs/dbraw/zinc/86/37/75/883863775.db2.gz ZVXJEWKRHLUZGO-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000503651727 912759062 /nfs/dbraw/zinc/75/90/62/912759062.db2.gz VQVMTPPMLQYAJG-GFCCVEGCSA-N 0 0 405.376 4.385 20 5 HIBDRN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC[C@@H]1C ZINC000469876752 884067410 /nfs/dbraw/zinc/06/74/10/884067410.db2.gz ZDGDYPIOXOHMGJ-VBKZILBWSA-N 0 0 417.893 4.357 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccnc1Oc1ccc(Cl)cc1Cl ZINC000469891837 884083280 /nfs/dbraw/zinc/08/32/80/884083280.db2.gz GVILPOUGPWOTAR-UHFFFAOYSA-N 0 0 422.228 4.314 20 5 HIBDRN CO[C@H]1CN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000469893301 884083738 /nfs/dbraw/zinc/08/37/38/884083738.db2.gz OICDRVFTIALLFY-ABAIWWIYSA-N 0 0 407.517 4.008 20 5 HIBDRN CCC1(CC)CCCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000469918034 884109322 /nfs/dbraw/zinc/10/93/22/884109322.db2.gz MYAHIVOPFLTJCN-UHFFFAOYSA-N 0 0 403.479 4.102 20 5 HIBDRN CCc1c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccccc1OC ZINC000469949992 884148892 /nfs/dbraw/zinc/14/88/92/884148892.db2.gz GPVJJCYDNOKBOF-OAHLLOKOSA-N 0 0 408.458 4.151 20 5 HIBDRN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470001811 884216649 /nfs/dbraw/zinc/21/66/49/884216649.db2.gz DGHUSPVOBMQOPD-MRXNPFEDSA-N 0 0 402.756 4.012 20 5 HIBDRN CCOc1cc(C(=O)Nc2cccc(C)c2Br)c([N+](=O)[O-])cc1OC ZINC000470039673 884280940 /nfs/dbraw/zinc/28/09/40/884280940.db2.gz VWYDDLQDODUMPE-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN CC(C)Nc1ccc(Br)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470100088 884359675 /nfs/dbraw/zinc/35/96/75/884359675.db2.gz AIFQJOOGVIWEHC-UHFFFAOYSA-N 0 0 418.251 4.306 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)cc([N+](=O)[O-])c1 ZINC000470102344 884360966 /nfs/dbraw/zinc/36/09/66/884360966.db2.gz HOOTWHJDWRPWQK-UHFFFAOYSA-N 0 0 409.398 4.296 20 5 HIBDRN COc1cc(CN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(SC)cc1OC ZINC000470120561 884382281 /nfs/dbraw/zinc/38/22/81/884382281.db2.gz LQNBZMLIACMMND-UHFFFAOYSA-N 0 0 409.439 4.137 20 5 HIBDRN CC(C)(C)OC(=O)CCc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000470132483 884396630 /nfs/dbraw/zinc/39/66/30/884396630.db2.gz JTLKRSWOGXOONY-UHFFFAOYSA-N 0 0 402.422 4.189 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000470132443 884397032 /nfs/dbraw/zinc/39/70/32/884397032.db2.gz KZXPMIPSCMASDC-MRXNPFEDSA-N 0 0 413.327 4.358 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cc(F)ccc2OC(F)F)cc1[N+](=O)[O-] ZINC000470137261 884402481 /nfs/dbraw/zinc/40/24/81/884402481.db2.gz JTDPJCMVYFNLCO-UHFFFAOYSA-N 0 0 416.377 4.216 20 5 HIBDRN C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000470138883 884403998 /nfs/dbraw/zinc/40/39/98/884403998.db2.gz UVPLIPASVUGDMX-VBKZILBWSA-N 0 0 417.437 4.181 20 5 HIBDRN C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000470138882 884404457 /nfs/dbraw/zinc/40/44/57/884404457.db2.gz UVPLIPASVUGDMX-JLTOFOAXSA-N 0 0 417.437 4.181 20 5 HIBDRN C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1-n1cccn1 ZINC000470138528 884404511 /nfs/dbraw/zinc/40/45/11/884404511.db2.gz QHTKQWKOFYFJDN-CQSZACIVSA-N 0 0 419.466 4.395 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000470144474 884410053 /nfs/dbraw/zinc/41/00/53/884410053.db2.gz VTRYXNBCJCSMJU-UONOGXRCSA-N 0 0 414.849 4.079 20 5 HIBDRN C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000470145073 884411949 /nfs/dbraw/zinc/41/19/49/884411949.db2.gz QOEYTEOJCFQMDW-CYBMUJFWSA-N 0 0 423.404 4.264 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000470172855 884454732 /nfs/dbraw/zinc/45/47/32/884454732.db2.gz DNTPKINRNRFIQJ-RUEYPURISA-N 0 0 406.891 4.112 20 5 HIBDRN C[C@H](Cc1ccccc1Br)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000470174935 884457053 /nfs/dbraw/zinc/45/70/53/884457053.db2.gz OELBLXMMLNABFO-CYBMUJFWSA-N 0 0 406.280 4.130 20 5 HIBDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000470188688 884484530 /nfs/dbraw/zinc/48/45/30/884484530.db2.gz STVLUSNCLPNENL-UHFFFAOYSA-N 0 0 400.435 4.018 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000470192990 884497251 /nfs/dbraw/zinc/49/72/51/884497251.db2.gz CAWQUNXETUKCPN-PSTGCABASA-N 0 0 409.895 4.099 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000470196056 884504287 /nfs/dbraw/zinc/50/42/87/884504287.db2.gz WYHBOLGBNTWMRF-PBFPGSCMSA-N 0 0 400.460 4.229 20 5 HIBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)NC2(c3c(Cl)cccc3Cl)CC2)cc1 ZINC000503822495 912832005 /nfs/dbraw/zinc/83/20/05/912832005.db2.gz ATSBFLJBRFYBTK-UHFFFAOYSA-N 0 0 415.298 4.053 20 5 HIBDRN C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000470203931 884520396 /nfs/dbraw/zinc/52/03/96/884520396.db2.gz SJZCZXNVRZFVCL-MRXNPFEDSA-N 0 0 407.474 4.253 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000470243062 884573881 /nfs/dbraw/zinc/57/38/81/884573881.db2.gz WEINJRDBNUABNX-CYBMUJFWSA-N 0 0 411.241 4.204 20 5 HIBDRN Cc1coc(-c2ccc(C)c(NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)c2)n1 ZINC000470267609 884617162 /nfs/dbraw/zinc/61/71/62/884617162.db2.gz ITOOTXANVSLNHF-UHFFFAOYSA-N 0 0 421.457 4.221 20 5 HIBDRN O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470300845 884674474 /nfs/dbraw/zinc/67/44/74/884674474.db2.gz XWWQTODGAWOUAI-UHFFFAOYSA-N 0 0 407.401 4.063 20 5 HIBDRN Cc1csc(-c2ccc(NC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)cc2)n1 ZINC000470336059 884722228 /nfs/dbraw/zinc/72/22/28/884722228.db2.gz HRQATTUUNFQUQT-UHFFFAOYSA-N 0 0 410.455 4.322 20 5 HIBDRN O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470355546 884747889 /nfs/dbraw/zinc/74/78/89/884747889.db2.gz WXPXXDWKLRIRPR-UHFFFAOYSA-N 0 0 422.319 4.050 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000470364432 884758732 /nfs/dbraw/zinc/75/87/32/884758732.db2.gz LFBJGEPBGIMSPR-UHFFFAOYSA-N 0 0 406.280 4.050 20 5 HIBDRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)n1 ZINC000470391029 884795008 /nfs/dbraw/zinc/79/50/08/884795008.db2.gz ZEQDRKAFEBTLSE-ZDUSSCGKSA-N 0 0 412.471 4.075 20 5 HIBDRN C[C@H](C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470403613 884808923 /nfs/dbraw/zinc/80/89/23/884808923.db2.gz KLYCRDRAQWFCDB-LBPRGKRZSA-N 0 0 401.825 4.488 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000470408168 884812917 /nfs/dbraw/zinc/81/29/17/884812917.db2.gz KJUNGOZEPMICCZ-UHFFFAOYSA-N 0 0 411.289 4.035 20 5 HIBDRN C[C@H](C(=O)NCc1ccnc(Oc2ccccc2F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000470525851 884920479 /nfs/dbraw/zinc/92/04/79/884920479.db2.gz LSKJQPVXCFQCFK-ZDUSSCGKSA-N 0 0 413.380 4.480 20 5 HIBDRN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000503974725 912891352 /nfs/dbraw/zinc/89/13/52/912891352.db2.gz RBCBPBRWDJAKEP-GFCCVEGCSA-N 0 0 413.421 4.194 20 5 HIBDRN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000470663204 885087971 /nfs/dbraw/zinc/08/79/71/885087971.db2.gz OCHHPTHWTIUACY-UYAOXDASSA-N 0 0 405.458 4.449 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C4CC4)O[C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000470688443 885123417 /nfs/dbraw/zinc/12/34/17/885123417.db2.gz FTIGDLWLZLMOQY-LRDDRELGSA-N 0 0 419.528 4.150 20 5 HIBDRN O=C(NCC1CCN(c2ccccc2)CC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000470691944 885127421 /nfs/dbraw/zinc/12/74/21/885127421.db2.gz CRCJNSNAZUYVBR-UHFFFAOYSA-N 0 0 424.320 4.065 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000470696104 885134684 /nfs/dbraw/zinc/13/46/84/885134684.db2.gz GEWJVQDJSKFEBC-UHFFFAOYSA-N 0 0 419.153 4.437 20 5 HIBDRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470697905 885136452 /nfs/dbraw/zinc/13/64/52/885136452.db2.gz BPYQHUVWIAGBAP-HXUWFJFHSA-N 0 0 407.401 4.234 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000470698081 885136804 /nfs/dbraw/zinc/13/68/04/885136804.db2.gz CORVDWHGLJIBOM-UHFFFAOYSA-N 0 0 419.153 4.437 20 5 HIBDRN Cc1ccc(OCc2nc(CC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cs2)cc1 ZINC000470699645 885138074 /nfs/dbraw/zinc/13/80/74/885138074.db2.gz BEROGKFIVJLOTG-UHFFFAOYSA-N 0 0 401.419 4.259 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(I)ccc1Cl ZINC000470706723 885144930 /nfs/dbraw/zinc/14/49/30/885144930.db2.gz HWSVHWANNFGJGX-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN Cc1c(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cnn1-c1cccc(Br)c1 ZINC000470711675 885150413 /nfs/dbraw/zinc/15/04/13/885150413.db2.gz ZNXNLKJSHMGXPE-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000470717230 885157735 /nfs/dbraw/zinc/15/77/35/885157735.db2.gz QQXGSAAYXPIDCD-UHFFFAOYSA-N 0 0 402.756 4.348 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000470733299 885188201 /nfs/dbraw/zinc/18/82/01/885188201.db2.gz QXJMXQWIHDDHFA-SNVBAGLBSA-N 0 0 415.277 4.288 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](c2ccsc2)O1 ZINC000470760685 885226626 /nfs/dbraw/zinc/22/66/26/885226626.db2.gz RRJLSXLNSIMDLG-BONVTDFDSA-N 0 0 411.277 4.021 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1C(=O)N1CCCC2(CCCCC2)CC1 ZINC000470774352 885241376 /nfs/dbraw/zinc/24/13/76/885241376.db2.gz SFAFGRIGGSFUBA-MRXNPFEDSA-N 0 0 419.547 4.224 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000470841582 885334587 /nfs/dbraw/zinc/33/45/87/885334587.db2.gz PGAQCNUEVOWZCA-UHFFFAOYSA-N 0 0 411.389 4.250 20 5 HIBDRN Cc1ccc(-n2c(SCCn3cc([N+](=O)[O-])cn3)nnc2-c2cccc(C)c2)cc1 ZINC000470846197 885342311 /nfs/dbraw/zinc/34/23/11/885342311.db2.gz XWPAPTYVMPKINT-UHFFFAOYSA-N 0 0 420.498 4.448 20 5 HIBDRN CC(C)(C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)C(F)F ZINC000470847040 885344163 /nfs/dbraw/zinc/34/41/63/885344163.db2.gz CGIBXQMBSJYNEO-UHFFFAOYSA-N 0 0 423.485 4.259 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000470898831 885400064 /nfs/dbraw/zinc/40/00/64/885400064.db2.gz FOYFKPCAEXXDBY-UHFFFAOYSA-N 0 0 408.376 4.474 20 5 HIBDRN CC(C)(NC(=O)CSCC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000470960671 885459482 /nfs/dbraw/zinc/45/94/82/885459482.db2.gz SYDBRPSZFPVXEQ-UHFFFAOYSA-N 0 0 406.891 4.216 20 5 HIBDRN C[C@H](Oc1cnc2ccccc2c1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000470966448 885467913 /nfs/dbraw/zinc/46/79/13/885467913.db2.gz KAMVKXOZYZQPIA-LHSJRXKWSA-N 0 0 409.467 4.185 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000470980321 885483196 /nfs/dbraw/zinc/48/31/96/885483196.db2.gz XNJSXQTYOANBGP-OAHLLOKOSA-N 0 0 401.463 4.132 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000470985504 885486814 /nfs/dbraw/zinc/48/68/14/885486814.db2.gz MZKSGZQVFZPHMZ-CYBMUJFWSA-N 0 0 409.364 4.210 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000471036358 885545420 /nfs/dbraw/zinc/54/54/20/885545420.db2.gz ZFUMEDMQNPLGSP-GCJKJVERSA-N 0 0 424.501 4.102 20 5 HIBDRN CCC(=O)c1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1 ZINC000471147597 885692769 /nfs/dbraw/zinc/69/27/69/885692769.db2.gz GOUHXMXXKDRKFP-GOSISDBHSA-N 0 0 412.442 4.000 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)OC1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000471151268 885698347 /nfs/dbraw/zinc/69/83/47/885698347.db2.gz JWNXDKYOZVVEGT-LPHOPBHVSA-N 0 0 420.506 4.222 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(C)c([N+](=O)[O-])c1 ZINC000471156119 885707651 /nfs/dbraw/zinc/70/76/51/885707651.db2.gz JGXQDJPFTSJGSH-AWEZNQCLSA-N 0 0 408.410 4.249 20 5 HIBDRN O=C(CCc1cnc2ccccc2c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000471160227 885713576 /nfs/dbraw/zinc/71/35/76/885713576.db2.gz DJLNVYYYWJOWRR-UHFFFAOYSA-N 0 0 403.360 4.411 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCOc2c(Cl)cccc21 ZINC000471190479 885759664 /nfs/dbraw/zinc/75/96/64/885759664.db2.gz HGDMOYMFKFLUIP-UHFFFAOYSA-N 0 0 423.661 4.143 20 5 HIBDRN CCOc1cc(C(=O)N2CCCSc3ccc(F)cc32)c([N+](=O)[O-])cc1OC ZINC000471237071 885813116 /nfs/dbraw/zinc/81/31/16/885813116.db2.gz LQGYRZCBOATMSZ-UHFFFAOYSA-N 0 0 406.435 4.284 20 5 HIBDRN CCOc1cc(NC[C@@H](c2ccccc2Cl)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000471252831 885831009 /nfs/dbraw/zinc/83/10/09/885831009.db2.gz UAXVNGNEZZCSKO-IBGZPJMESA-N 0 0 405.882 4.132 20 5 HIBDRN CCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000471258049 885836887 /nfs/dbraw/zinc/83/68/87/885836887.db2.gz JCWNGOBGLLGZSP-UHFFFAOYSA-N 0 0 410.257 4.175 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)CCCNc3ccc([N+](=O)[O-])cc3)o2)cs1 ZINC000504075726 912978410 /nfs/dbraw/zinc/97/84/10/912978410.db2.gz FCZXPXPQOZBIEN-UHFFFAOYSA-N 0 0 400.460 4.128 20 5 HIBDRN Cc1nn(C)c(C(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000471319732 885911442 /nfs/dbraw/zinc/91/14/42/885911442.db2.gz IODQUCKDPXDIQJ-HNNXBMFYSA-N 0 0 410.396 4.413 20 5 HIBDRN COC(=O)c1nc([C@H]2CCCN2C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)sc1C ZINC000471325926 885920435 /nfs/dbraw/zinc/92/04/35/885920435.db2.gz BOMCIRLWCCOHMZ-OAHLLOKOSA-N 0 0 417.487 4.247 20 5 HIBDRN CN1c2ccc(Br)cc2N(C(=O)c2csc([N+](=O)[O-])c2)CC1(C)C ZINC000471329876 885927312 /nfs/dbraw/zinc/92/73/12/885927312.db2.gz POEKNWCFWSQETO-UHFFFAOYSA-N 0 0 410.293 4.294 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000471331618 885931250 /nfs/dbraw/zinc/93/12/50/885931250.db2.gz WURJXBAFCMWPQX-QGZVFWFLSA-N 0 0 410.396 4.344 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000471343775 885951705 /nfs/dbraw/zinc/95/17/05/885951705.db2.gz PMTAROZIHGUROW-NSHDSACASA-N 0 0 401.423 4.444 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000471353508 885970385 /nfs/dbraw/zinc/97/03/85/885970385.db2.gz MNNVWUBTTPFIRU-UHFFFAOYSA-N 0 0 423.391 4.265 20 5 HIBDRN Cc1c(I)cccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000471383165 886029733 /nfs/dbraw/zinc/02/97/33/886029733.db2.gz BPVJCEJTXWZTJQ-SNVBAGLBSA-N 0 0 422.222 4.099 20 5 HIBDRN CC(C)Cc1ncc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cn1 ZINC000471423023 886077943 /nfs/dbraw/zinc/07/79/43/886077943.db2.gz DJVFWIBDXSCDAM-UHFFFAOYSA-N 0 0 406.442 4.415 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)c1 ZINC000471443874 886109769 /nfs/dbraw/zinc/10/97/69/886109769.db2.gz YETGATJTGDLSSX-UHFFFAOYSA-N 0 0 411.405 4.346 20 5 HIBDRN COc1cccc([C@H](NC(=O)c2csc([N+](=O)[O-])c2)c2cc(F)ccc2OC)c1 ZINC000471466536 886152716 /nfs/dbraw/zinc/15/27/16/886152716.db2.gz GQBUEXXRCPFCKA-IBGZPJMESA-N 0 0 416.430 4.332 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc1SC ZINC000471466662 886154847 /nfs/dbraw/zinc/15/48/47/886154847.db2.gz XMVQNUVWQHXPQA-HOCLYGCPSA-N 0 0 400.500 4.419 20 5 HIBDRN COC[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000471486532 886183461 /nfs/dbraw/zinc/18/34/61/886183461.db2.gz AUBWDQILFWFENJ-HNAYVOBHSA-N 0 0 424.457 4.182 20 5 HIBDRN COC[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000471512349 886214060 /nfs/dbraw/zinc/21/40/60/886214060.db2.gz BHLWVOPMQZCAHX-LBPRGKRZSA-N 0 0 418.393 4.111 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)OC(C)C ZINC000471532857 886236153 /nfs/dbraw/zinc/23/61/53/886236153.db2.gz PJSPLLADQNFSMZ-HXUWFJFHSA-N 0 0 409.442 4.048 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CC[C@@H](OC)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471679909 886388735 /nfs/dbraw/zinc/38/87/35/886388735.db2.gz QQNJQZKCIJOFJP-LSDHHAIUSA-N 0 0 420.849 4.346 20 5 HIBDRN COC(=O)c1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(C)cc1C ZINC000471701681 886409147 /nfs/dbraw/zinc/40/91/47/886409147.db2.gz JGIHTZUQPHSRGR-UHFFFAOYSA-N 0 0 406.822 4.059 20 5 HIBDRN CCOC(=O)c1ccnc(N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1[N+](=O)[O-] ZINC000471744505 886470375 /nfs/dbraw/zinc/47/03/75/886470375.db2.gz FAYLGHGTDGAKIQ-KRWDZBQOSA-N 0 0 412.833 4.416 20 5 HIBDRN COCCC1(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CCC1 ZINC000471746559 886475388 /nfs/dbraw/zinc/47/53/88/886475388.db2.gz DVIZYFUDWOVUOL-UHFFFAOYSA-N 0 0 419.503 4.014 20 5 HIBDRN CCc1ccc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000471874820 886655129 /nfs/dbraw/zinc/65/51/29/886655129.db2.gz RZRLELWJYOIRNT-UHFFFAOYSA-N 0 0 419.441 4.126 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCCC3=O)cc2[N+](=O)[O-])C1 ZINC000471905425 886688318 /nfs/dbraw/zinc/68/83/18/886688318.db2.gz LWXDGNNMFPWYGT-BHIYHBOVSA-N 0 0 413.518 4.195 20 5 HIBDRN CC(=O)Nc1cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(C(F)(F)F)c1 ZINC000471911258 886697434 /nfs/dbraw/zinc/69/74/34/886697434.db2.gz PIJQQAHSEWBNCD-LLVKDONJSA-N 0 0 409.364 4.371 20 5 HIBDRN Cn1c2ccccc2nc1C(C)(C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000472018671 886840617 /nfs/dbraw/zinc/84/06/17/886840617.db2.gz OHPWZAPQNAYXKB-UHFFFAOYSA-N 0 0 418.906 4.279 20 5 HIBDRN CCc1c(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000472032233 886853235 /nfs/dbraw/zinc/85/32/35/886853235.db2.gz PAPMHNBCYLMRQV-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN O=C(NCCc1ccccc1OC(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000472077834 886880438 /nfs/dbraw/zinc/88/04/38/886880438.db2.gz YMFFVYOXKKSKMP-UHFFFAOYSA-N 0 0 405.401 4.113 20 5 HIBDRN Cc1ccc(SC[C@@H](C)NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000472290816 887110954 /nfs/dbraw/zinc/11/09/54/887110954.db2.gz IURJQSFVVCVZPW-OAHLLOKOSA-N 0 0 410.499 4.214 20 5 HIBDRN COCCOc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(Cl)c1 ZINC000472392794 887239668 /nfs/dbraw/zinc/23/96/68/887239668.db2.gz XJSKEEVJSCPASF-UHFFFAOYSA-N 0 0 404.850 4.078 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NCc2ncc(C(C)(C)C)o2)cc1[N+](=O)[O-])c1ccccn1 ZINC000472397082 887244002 /nfs/dbraw/zinc/24/40/02/887244002.db2.gz MIQNSARLBAPAQI-CQSZACIVSA-N 0 0 423.473 4.378 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)cc1 ZINC000472404953 887253968 /nfs/dbraw/zinc/25/39/68/887253968.db2.gz OBQCZEZWTMZFKC-GFCCVEGCSA-N 0 0 406.398 4.444 20 5 HIBDRN COc1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c(C)c(OC)c1 ZINC000504269485 913129826 /nfs/dbraw/zinc/12/98/26/913129826.db2.gz AQFBYAFEEFNQGO-UHFFFAOYSA-N 0 0 406.413 4.398 20 5 HIBDRN CN1CCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)cc2C1=O ZINC000472437928 887284983 /nfs/dbraw/zinc/28/49/83/887284983.db2.gz DYMUQPJELPSUHB-UHFFFAOYSA-N 0 0 417.421 4.268 20 5 HIBDRN CC(C)Sc1ccccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000472540681 887416406 /nfs/dbraw/zinc/41/64/06/887416406.db2.gz PKGRFZFPZWKRED-UHFFFAOYSA-N 0 0 415.471 4.422 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000472590580 887467606 /nfs/dbraw/zinc/46/76/06/887467606.db2.gz GLSWVLRTSRBHRA-UHFFFAOYSA-N 0 0 414.817 4.004 20 5 HIBDRN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472601148 887472667 /nfs/dbraw/zinc/47/26/67/887472667.db2.gz MDVZZGFIQTTZJU-JOCHJYFZSA-N 0 0 406.442 4.115 20 5 HIBDRN CCCCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](CC)c1ccccc1 ZINC000472632632 887497506 /nfs/dbraw/zinc/49/75/06/887497506.db2.gz WQMNOUJICQPMPS-IBGZPJMESA-N 0 0 401.438 4.452 20 5 HIBDRN COC(=O)c1sc2nc(C)nc(Oc3ccc([N+](=O)[O-])c4ncccc34)c2c1C ZINC000472664902 887522215 /nfs/dbraw/zinc/52/22/15/887522215.db2.gz VHNIAQVHOVLXCO-UHFFFAOYSA-N 0 0 410.411 4.343 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CCC(C)C)cc1OC ZINC000472709450 887559511 /nfs/dbraw/zinc/55/95/11/887559511.db2.gz XWKZJSJGSUTXGV-INIZCTEOSA-N 0 0 408.495 4.060 20 5 HIBDRN O=C(Nc1ccc(OC2CCCCC2)cc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472726392 887572741 /nfs/dbraw/zinc/57/27/41/887572741.db2.gz PXPVYRKAWVQMHP-UHFFFAOYSA-N 0 0 401.394 4.023 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)nn1CCCOc1ccc(F)cc1 ZINC000504312208 913161335 /nfs/dbraw/zinc/16/13/35/913161335.db2.gz ZYORKVMUARMJMU-UHFFFAOYSA-N 0 0 418.450 4.330 20 5 HIBDRN CS(=O)(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1Cl ZINC000472765124 887611724 /nfs/dbraw/zinc/61/17/24/887611724.db2.gz PYTHYZRYDHEDAS-UHFFFAOYSA-N 0 0 410.860 4.119 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)OC(C)C ZINC000472768447 887615351 /nfs/dbraw/zinc/61/53/51/887615351.db2.gz WVCWDXMSSKJXEW-IBGZPJMESA-N 0 0 421.881 4.222 20 5 HIBDRN COc1ccc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1Br ZINC000504317309 913163583 /nfs/dbraw/zinc/16/35/83/913163583.db2.gz CCLXCCJBYCNMDG-GFCCVEGCSA-N 0 0 419.275 4.276 20 5 HIBDRN Cc1nc2cc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)ccc2n1Cc1ccsc1 ZINC000472798089 887642799 /nfs/dbraw/zinc/64/27/99/887642799.db2.gz YBQFKOYTXWKUBL-UHFFFAOYSA-N 0 0 420.494 4.335 20 5 HIBDRN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000504323869 913166753 /nfs/dbraw/zinc/16/67/53/913166753.db2.gz FSZRMGGCQJZYSG-NWDGAFQWSA-N 0 0 405.248 4.102 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000472911386 887757821 /nfs/dbraw/zinc/75/78/21/887757821.db2.gz CXWBJVJNOGZPBL-UHFFFAOYSA-N 0 0 421.375 4.253 20 5 HIBDRN Cc1nc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)nn1-c1ccccc1C(C)C ZINC000504353819 913188110 /nfs/dbraw/zinc/18/81/10/913188110.db2.gz OQWFIEFWVLACIQ-AWEZNQCLSA-N 0 0 405.458 4.199 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(OCC2CC2)c1 ZINC000473147490 887927767 /nfs/dbraw/zinc/92/77/67/887927767.db2.gz XGLJNIJQWHICCK-UHFFFAOYSA-N 0 0 408.414 4.035 20 5 HIBDRN COc1cc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCC(F)(F)F ZINC000504367171 913195739 /nfs/dbraw/zinc/19/57/39/913195739.db2.gz ATAMHWXWOWWKAI-UHFFFAOYSA-N 0 0 412.364 4.424 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1C ZINC000473241869 888010387 /nfs/dbraw/zinc/01/03/87/888010387.db2.gz KGACUFHLWHQFNV-AWEZNQCLSA-N 0 0 424.482 4.151 20 5 HIBDRN COC1CCC(C)(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000473280225 888037205 /nfs/dbraw/zinc/03/72/05/888037205.db2.gz CVDQBYVPNFSIGO-UHFFFAOYSA-N 0 0 414.452 4.285 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000473293533 888046193 /nfs/dbraw/zinc/04/61/93/888046193.db2.gz RZALIUYQMMNJRJ-LBPRGKRZSA-N 0 0 423.391 4.171 20 5 HIBDRN O=C(Nc1cn(Cc2ccccc2)nn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000473385049 888098374 /nfs/dbraw/zinc/09/83/74/888098374.db2.gz QGPBLAAWRHKGGA-UHFFFAOYSA-N 0 0 415.409 4.279 20 5 HIBDRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000473396008 888108346 /nfs/dbraw/zinc/10/83/46/888108346.db2.gz PCMMEOICXXREIN-RFAUZJTJSA-N 0 0 410.342 4.372 20 5 HIBDRN Cc1cccc2[nH]cc(CC(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])c21 ZINC000504387773 913211935 /nfs/dbraw/zinc/21/19/35/913211935.db2.gz LOLNSFPENVKGNC-IBGZPJMESA-N 0 0 423.469 4.126 20 5 HIBDRN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000473467066 888190014 /nfs/dbraw/zinc/19/00/14/888190014.db2.gz CRIVRZHJUOYOFA-FQEVSTJZSA-N 0 0 405.882 4.046 20 5 HIBDRN CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000473467067 888190263 /nfs/dbraw/zinc/19/02/63/888190263.db2.gz CRIVRZHJUOYOFA-HXUWFJFHSA-N 0 0 405.882 4.046 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)cc1[N+](=O)[O-] ZINC000473510353 888239153 /nfs/dbraw/zinc/23/91/53/888239153.db2.gz PKPJHNMVVSDANM-UHFFFAOYSA-N 0 0 404.488 4.294 20 5 HIBDRN CCCCCNC(=O)C1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000473512126 888241094 /nfs/dbraw/zinc/24/10/94/888241094.db2.gz VWDDHLRNEPRNKW-UHFFFAOYSA-N 0 0 412.328 4.189 20 5 HIBDRN Cc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Br ZINC000473514488 888244959 /nfs/dbraw/zinc/24/49/59/888244959.db2.gz SEZZRPRJTPUDOJ-UHFFFAOYSA-N 0 0 419.275 4.349 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@]4(CCCOC4)C3)cc2[N+](=O)[O-])C1 ZINC000473525910 888263714 /nfs/dbraw/zinc/26/37/14/888263714.db2.gz LWUUQERBBDIOGF-PNCHPQGNSA-N 0 0 415.534 4.110 20 5 HIBDRN CC[C@H](O)CCCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000473534311 888272030 /nfs/dbraw/zinc/27/20/30/888272030.db2.gz QWTREDQSMODYMX-INIZCTEOSA-N 0 0 405.882 4.141 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N[C@H](c3cnn(C)c3)C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000473576081 888317603 /nfs/dbraw/zinc/31/76/03/888317603.db2.gz TYVDSYDOEAANEX-MGPUTAFESA-N 0 0 413.522 4.082 20 5 HIBDRN Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2c1 ZINC000473589106 888332483 /nfs/dbraw/zinc/33/24/83/888332483.db2.gz RTPYGRPGRMWIMI-INIZCTEOSA-N 0 0 417.469 4.050 20 5 HIBDRN O=C(Nc1ccc(N2CCCCC2)c2ncccc12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000473594161 888339615 /nfs/dbraw/zinc/33/96/15/888339615.db2.gz ANYINCCCUVVAAT-UHFFFAOYSA-N 0 0 416.441 4.262 20 5 HIBDRN C[C@]1(O)CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000473598604 888341819 /nfs/dbraw/zinc/34/18/19/888341819.db2.gz KLZRLQQAOKRYDZ-FQEVSTJZSA-N 0 0 404.850 4.418 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Nc2ccc(F)cc2OC2CCOCC2)cccc1[N+](=O)[O-] ZINC000504424872 913240598 /nfs/dbraw/zinc/24/05/98/913240598.db2.gz ULMJUWNXNIFANT-CQSZACIVSA-N 0 0 417.437 4.039 20 5 HIBDRN Cc1cc(F)c(Br)cc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000473681017 888449558 /nfs/dbraw/zinc/44/95/58/888449558.db2.gz KBAIKPWMEXSDAY-UHFFFAOYSA-N 0 0 407.199 4.467 20 5 HIBDRN COCCN(C(=O)c1ccc(F)c(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000504438542 913250415 /nfs/dbraw/zinc/25/04/15/913250415.db2.gz MJBPJEAWXXGTNZ-UHFFFAOYSA-N 0 0 415.446 4.459 20 5 HIBDRN COc1ccc(CNC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000473773840 888575661 /nfs/dbraw/zinc/57/56/61/888575661.db2.gz DWQMUKQNPIWNHG-UHFFFAOYSA-N 0 0 412.364 4.096 20 5 HIBDRN COc1ccc(CNC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000473776200 888578833 /nfs/dbraw/zinc/57/88/33/888578833.db2.gz OUGUAWMFOFNAFY-UHFFFAOYSA-N 0 0 408.376 4.261 20 5 HIBDRN CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1)c1ccccc1 ZINC000473780475 888585675 /nfs/dbraw/zinc/58/56/75/888585675.db2.gz JFHDDWOENBRUSX-HXUWFJFHSA-N 0 0 424.501 4.210 20 5 HIBDRN CCCCn1c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1[C@@H](CC)N(C)C ZINC000473797413 888616914 /nfs/dbraw/zinc/61/69/14/888616914.db2.gz JCLMPJFGOUQNMJ-MRXNPFEDSA-N 0 0 417.539 4.168 20 5 HIBDRN COc1cc(C(=O)Nc2nc(C)c[nH]2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000473910762 888790573 /nfs/dbraw/zinc/79/05/73/888790573.db2.gz IJFXQKALWMSBKV-UHFFFAOYSA-N 0 0 402.794 4.333 20 5 HIBDRN Cc1cc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)sc1Cl ZINC000473936616 888814590 /nfs/dbraw/zinc/81/45/90/888814590.db2.gz JPPHHRFWIFKLNY-AWEZNQCLSA-N 0 0 404.922 4.054 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H](OCc2ccccn2)C1 ZINC000473985789 888847988 /nfs/dbraw/zinc/84/79/88/888847988.db2.gz WYAKFNYSXCDPCH-FQEVSTJZSA-N 0 0 418.453 4.165 20 5 HIBDRN COC(=O)COc1ccc(CNc2ccc(C)c(-c3nc(C)co3)c2)cc1[N+](=O)[O-] ZINC000473990958 888852795 /nfs/dbraw/zinc/85/27/95/888852795.db2.gz QKGKTPYTGGJGHB-UHFFFAOYSA-N 0 0 411.414 4.031 20 5 HIBDRN COC(=O)COc1ccc(CNc2ccc(Cl)c(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000474005601 888863826 /nfs/dbraw/zinc/86/38/26/888863826.db2.gz LVWAIZYFZGCSDZ-UHFFFAOYSA-N 0 0 416.764 4.014 20 5 HIBDRN O=C(CCCc1cccc(C(F)(F)F)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000474122250 888942319 /nfs/dbraw/zinc/94/23/19/888942319.db2.gz GVBPBHAZHRLDER-MRXNPFEDSA-N 0 0 422.407 4.044 20 5 HIBDRN C[C@@]1(CO)CCC[C@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000474133081 888953279 /nfs/dbraw/zinc/95/32/79/888953279.db2.gz NUHOTIYQJVNWDT-QUCCMNQESA-N 0 0 404.850 4.321 20 5 HIBDRN O=c1c2ccccc2nc(SCc2c(F)cccc2[N+](=O)[O-])n1Cc1ccco1 ZINC000504503785 913296112 /nfs/dbraw/zinc/29/61/12/913296112.db2.gz VGDXSIFFSDWRSJ-UHFFFAOYSA-N 0 0 411.414 4.377 20 5 HIBDRN C[C@H](C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000474235517 889080325 /nfs/dbraw/zinc/08/03/25/889080325.db2.gz UZHWUAUKNDZBGF-QHRIQVFBSA-N 0 0 406.841 4.479 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCCOc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000474241871 889088277 /nfs/dbraw/zinc/08/82/77/889088277.db2.gz HXOSTNNLYHYBCZ-NSHDSACASA-N 0 0 413.261 4.044 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc1SC ZINC000474335618 889209263 /nfs/dbraw/zinc/20/92/63/889209263.db2.gz WUHGXKNOCZQLMQ-HZPDHXFCSA-N 0 0 400.500 4.467 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1F ZINC000474532529 889405069 /nfs/dbraw/zinc/40/50/69/889405069.db2.gz FHHZWPMWWRPGGP-CYBMUJFWSA-N 0 0 415.421 4.009 20 5 HIBDRN Cc1cc(C)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1I ZINC000474572389 889447524 /nfs/dbraw/zinc/44/75/24/889447524.db2.gz DJQXJLHCCSXYCD-UHFFFAOYSA-N 0 0 422.222 4.019 20 5 HIBDRN C/C=C\C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000474619104 889482451 /nfs/dbraw/zinc/48/24/51/889482451.db2.gz DTOGQQJFYOQUHX-PYLYLYNFSA-N 0 0 406.891 4.456 20 5 HIBDRN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2F)c2nccs2)c(OC)c1 ZINC000474753138 889611749 /nfs/dbraw/zinc/61/17/49/889611749.db2.gz GOMOZXGFUCQXSQ-UHFFFAOYSA-N 0 0 417.418 4.055 20 5 HIBDRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2c([N+](=O)[O-])cnn2C)cc1 ZINC000474772567 889630561 /nfs/dbraw/zinc/63/05/61/889630561.db2.gz FEAHUKSYHNFNSB-UHFFFAOYSA-N 0 0 419.441 4.057 20 5 HIBDRN COC(=O)c1cc(NCc2cccnc2Oc2cccc(OC)c2)cc(C)c1[N+](=O)[O-] ZINC000474780760 889638601 /nfs/dbraw/zinc/63/86/01/889638601.db2.gz OADSLMWWUMIHOG-UHFFFAOYSA-N 0 0 423.425 4.498 20 5 HIBDRN COc1c(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])oc2ccccc21 ZINC000474928721 889787291 /nfs/dbraw/zinc/78/72/91/889787291.db2.gz SYSVWNBBBUHDKQ-UHFFFAOYSA-N 0 0 402.428 4.010 20 5 HIBDRN COc1c(C(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)cccc1[N+](=O)[O-] ZINC000474956641 889812694 /nfs/dbraw/zinc/81/26/94/889812694.db2.gz WDPSHJPQZNYWGR-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN C[C@@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)c1cccc([N+](=O)[O-])c1 ZINC000474976181 889831090 /nfs/dbraw/zinc/83/10/90/889831090.db2.gz XUCZPQWYPIIEGW-LLVKDONJSA-N 0 0 402.501 4.357 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(Cc1ccccc1)c1ccncc1 ZINC000475017113 889869614 /nfs/dbraw/zinc/86/96/14/889869614.db2.gz MJOQALZDIJBVEL-UHFFFAOYSA-N 0 0 403.847 4.039 20 5 HIBDRN O=C(NC[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000475029813 889882936 /nfs/dbraw/zinc/88/29/36/889882936.db2.gz HQXURAXEYDLJIY-INIZCTEOSA-N 0 0 416.865 4.065 20 5 HIBDRN Cc1ccc(-n2cccn2)cc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000475098353 889946257 /nfs/dbraw/zinc/94/62/57/889946257.db2.gz WNWLSZZXFCJYEC-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN O=C1CCC[C@H]1[C@H]1COCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000475121761 889979248 /nfs/dbraw/zinc/97/92/48/889979248.db2.gz SFVVVWJLMHJJHF-AZUAARDMSA-N 0 0 414.433 4.096 20 5 HIBDRN COc1ccc(NC(=O)CNc2cccc(COC(C)(C)C)c2C)c([N+](=O)[O-])c1 ZINC000475168632 890034408 /nfs/dbraw/zinc/03/44/08/890034408.db2.gz ADPVSFGOOPXDDK-UHFFFAOYSA-N 0 0 401.463 4.278 20 5 HIBDRN O=C(NCc1nnc(-c2ccccc2)s1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475192466 890061857 /nfs/dbraw/zinc/06/18/57/890061857.db2.gz TVOLQDQYWZLCNY-UHFFFAOYSA-N 0 0 423.376 4.454 20 5 HIBDRN CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475197613 890066515 /nfs/dbraw/zinc/06/65/15/890066515.db2.gz UGYVNEVGGOKMNL-UHFFFAOYSA-N 0 0 411.380 4.419 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000475196460 890066678 /nfs/dbraw/zinc/06/66/78/890066678.db2.gz JYNCSLWQCJOPQK-HNNXBMFYSA-N 0 0 409.364 4.089 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000475207627 890077856 /nfs/dbraw/zinc/07/78/56/890077856.db2.gz HBKYXIIPRZNGAD-IBGZPJMESA-N 0 0 417.425 4.289 20 5 HIBDRN COCc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)ccc1F ZINC000475212846 890081537 /nfs/dbraw/zinc/08/15/37/890081537.db2.gz OAIYZDTXZORUTE-UHFFFAOYSA-N 0 0 401.316 4.221 20 5 HIBDRN CC(C)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nc(C2CC2)no1 ZINC000475217210 890087673 /nfs/dbraw/zinc/08/76/73/890087673.db2.gz WUBDCPIQOUZVRG-CYBMUJFWSA-N 0 0 413.356 4.393 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000475224389 890094214 /nfs/dbraw/zinc/09/42/14/890094214.db2.gz NBZAUONMGMOZDY-SNVBAGLBSA-N 0 0 400.382 4.482 20 5 HIBDRN Cc1ccc2nc(COc3cccc(C(=O)Nc4ccc([N+](=O)[O-])c(C)n4)c3)cn2c1 ZINC000475301757 890209575 /nfs/dbraw/zinc/20/95/75/890209575.db2.gz KUXVAQCDSMSQFS-UHFFFAOYSA-N 0 0 417.425 4.086 20 5 HIBDRN Cc1nc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000475310686 890225787 /nfs/dbraw/zinc/22/57/87/890225787.db2.gz FBTJRKALIVBGEC-UHFFFAOYSA-N 0 0 415.400 4.447 20 5 HIBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)ccc1Cl ZINC000475480707 890387100 /nfs/dbraw/zinc/38/71/00/890387100.db2.gz KAMQFKMCJZAELA-MRXNPFEDSA-N 0 0 421.906 4.047 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000475519318 890440045 /nfs/dbraw/zinc/44/00/45/890440045.db2.gz NYNRKHLDESSYDO-ZWKOTPCHSA-N 0 0 417.412 4.426 20 5 HIBDRN COc1c(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)cccc1[N+](=O)[O-] ZINC000475524259 890447645 /nfs/dbraw/zinc/44/76/45/890447645.db2.gz GTDZTTHRZMWHGV-UHFFFAOYSA-N 0 0 416.484 4.475 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000475552593 890477171 /nfs/dbraw/zinc/47/71/71/890477171.db2.gz WTZGYFVCXBCIMO-UHFFFAOYSA-N 0 0 422.283 4.040 20 5 HIBDRN COCCCOc1cc(C)ccc1CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475555039 890482485 /nfs/dbraw/zinc/48/24/85/890482485.db2.gz UUYFCXULTJWCBK-UHFFFAOYSA-N 0 0 401.463 4.257 20 5 HIBDRN C[C@H](CNc1ccccc1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000475561279 890489761 /nfs/dbraw/zinc/48/97/61/890489761.db2.gz LPGXUIYKFJTSEN-SJORKVTESA-N 0 0 419.485 4.393 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000475565367 890494276 /nfs/dbraw/zinc/49/42/76/890494276.db2.gz DQOIWZWPVSAWEK-LPHOPBHVSA-N 0 0 404.417 4.057 20 5 HIBDRN COC(=O)COc1ccc(CN2CCC[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000475579326 890508353 /nfs/dbraw/zinc/50/83/53/890508353.db2.gz ADNMMIRBCVACAT-KRWDZBQOSA-N 0 0 404.850 4.137 20 5 HIBDRN COC(=O)COc1ccc(CN2CC=C(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000475582600 890511470 /nfs/dbraw/zinc/51/14/70/890511470.db2.gz KMPNCKKMQKGMTO-UHFFFAOYSA-N 0 0 416.861 4.089 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000475635600 890576079 /nfs/dbraw/zinc/57/60/79/890576079.db2.gz CEFKWCARVPEZKM-UHFFFAOYSA-N 0 0 419.441 4.181 20 5 HIBDRN O=[N+]([O-])c1ccc(CNCc2ccc(I)cc2Cl)c(F)c1 ZINC000475637512 890578886 /nfs/dbraw/zinc/57/88/86/890578886.db2.gz YBFUYTXJHROSDK-UHFFFAOYSA-N 0 0 420.609 4.282 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000475641214 890582764 /nfs/dbraw/zinc/58/27/64/890582764.db2.gz SZNBNWHOAABPKC-CTNGQTDRSA-N 0 0 405.458 4.458 20 5 HIBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000475657234 890602761 /nfs/dbraw/zinc/60/27/61/890602761.db2.gz SVCKXPUCMRYNRJ-GXTWGEPZSA-N 0 0 401.326 4.032 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H](C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000475742703 890686225 /nfs/dbraw/zinc/68/62/25/890686225.db2.gz SAUDUPUCDQRFFK-LLVKDONJSA-N 0 0 410.348 4.223 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000475782109 890723805 /nfs/dbraw/zinc/72/38/05/890723805.db2.gz PEICCDDMEXLLQN-UHFFFAOYSA-N 0 0 420.256 4.497 20 5 HIBDRN COc1c2ccccc2oc1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000475861421 890797710 /nfs/dbraw/zinc/79/77/10/890797710.db2.gz JDSUUGRYYAILQX-UHFFFAOYSA-N 0 0 412.445 4.226 20 5 HIBDRN CCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCSc2ccc(Br)cc21 ZINC000475875177 890810997 /nfs/dbraw/zinc/81/09/97/890810997.db2.gz ROBNCCZUTKGONW-ZDUSSCGKSA-N 0 0 411.325 4.150 20 5 HIBDRN COc1c(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000476068424 890998913 /nfs/dbraw/zinc/99/89/13/890998913.db2.gz VTJZGAAUDYUOPF-GDLZYMKVSA-N 0 0 410.451 4.164 20 5 HIBDRN O=C(NCc1nccc(C(F)F)n1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476147992 891072046 /nfs/dbraw/zinc/07/20/46/891072046.db2.gz JRONINBQHKYWGE-UHFFFAOYSA-N 0 0 415.356 4.436 20 5 HIBDRN CC(=O)Nc1ccc(CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000504795785 913520497 /nfs/dbraw/zinc/52/04/97/913520497.db2.gz IDNIPKRRCXVSMB-UHFFFAOYSA-N 0 0 418.453 4.269 20 5 HIBDRN Cn1c(C(=O)Nc2nc3ccccc3n2CCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000476182673 891114534 /nfs/dbraw/zinc/11/45/34/891114534.db2.gz WXOPQMUYYPFZRG-UHFFFAOYSA-N 0 0 403.442 4.168 20 5 HIBDRN CC[C@H](CSc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000504799977 913524220 /nfs/dbraw/zinc/52/42/20/913524220.db2.gz CHFYBVJXHLUAOZ-OAHLLOKOSA-N 0 0 411.483 4.209 20 5 HIBDRN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000476197872 891129712 /nfs/dbraw/zinc/12/97/12/891129712.db2.gz IXTZGJKSGSWCSJ-DYVFJYSZSA-N 0 0 404.850 4.416 20 5 HIBDRN C[C@@H](SCc1c([N+](=O)[O-])ncn1C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000476217162 891144954 /nfs/dbraw/zinc/14/49/54/891144954.db2.gz IIXVMWWXPXKTRB-SECBINFHSA-N 0 0 413.381 4.392 20 5 HIBDRN C[C@H](SCc1c([N+](=O)[O-])ncn1C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000476217163 891145146 /nfs/dbraw/zinc/14/51/46/891145146.db2.gz IIXVMWWXPXKTRB-VIFPVBQESA-N 0 0 413.381 4.392 20 5 HIBDRN O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000476476266 891387407 /nfs/dbraw/zinc/38/74/07/891387407.db2.gz MBHYPDHYDDUJLN-UHFFFAOYSA-N 0 0 405.197 4.317 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000476509089 891422628 /nfs/dbraw/zinc/42/26/28/891422628.db2.gz BYEOEFINTCUCQO-UHFFFAOYSA-N 0 0 401.448 4.431 20 5 HIBDRN C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000476515946 891429454 /nfs/dbraw/zinc/42/94/54/891429454.db2.gz JRDIVXCXRGHTGI-KRWDZBQOSA-N 0 0 412.204 4.008 20 5 HIBDRN CCc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476548839 891464026 /nfs/dbraw/zinc/46/40/26/891464026.db2.gz SKXNQPVXHZZFDL-UHFFFAOYSA-N 0 0 412.833 4.059 20 5 HIBDRN COc1c(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cccc1[N+](=O)[O-] ZINC000476549634 891465118 /nfs/dbraw/zinc/46/51/18/891465118.db2.gz PNMCYHDBPKJETB-GOSISDBHSA-N 0 0 411.845 4.366 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1n[nH]c2ccc(F)cc21 ZINC000476571031 891491396 /nfs/dbraw/zinc/49/13/96/891491396.db2.gz BQHJUFVJLKFETL-UHFFFAOYSA-N 0 0 411.315 4.070 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000476577010 891499269 /nfs/dbraw/zinc/49/92/69/891499269.db2.gz XIPJKKACWUKGCV-SFHVURJKSA-N 0 0 403.504 4.023 20 5 HIBDRN COc1ccc(NC(=O)c2cc(F)c(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000476674806 891624332 /nfs/dbraw/zinc/62/43/32/891624332.db2.gz SYKQEDKXFIRVLV-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cn(C)c2ccccc12 ZINC000476689433 891643324 /nfs/dbraw/zinc/64/33/24/891643324.db2.gz NHYCWEPWRSSDCP-MRXNPFEDSA-N 0 0 407.470 4.260 20 5 HIBDRN COc1c(C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cccc1[N+](=O)[O-] ZINC000476695120 891650522 /nfs/dbraw/zinc/65/05/22/891650522.db2.gz FTUPCANTTSNOAR-HNNXBMFYSA-N 0 0 423.238 4.482 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000476807949 891794089 /nfs/dbraw/zinc/79/40/89/891794089.db2.gz RQQLKKZEXYQLOH-XCRHUMRWSA-N 0 0 413.474 4.191 20 5 HIBDRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000476809900 891796252 /nfs/dbraw/zinc/79/62/52/891796252.db2.gz UUJCQCALNLNFCH-INIZCTEOSA-N 0 0 405.292 4.380 20 5 HIBDRN C[C@@H]1CCCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000476817925 891803837 /nfs/dbraw/zinc/80/38/37/891803837.db2.gz CGWXZYOVGUPBCZ-CQSZACIVSA-N 0 0 413.440 4.479 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000476979080 891906256 /nfs/dbraw/zinc/90/62/56/891906256.db2.gz DHKNFFYKTGGKRJ-VIFPVBQESA-N 0 0 415.755 4.083 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCCCOc2cccc(C(F)(F)F)c2)cc1 ZINC000477074516 892008761 /nfs/dbraw/zinc/00/87/61/892008761.db2.gz IIEPGLGAJDJMQM-UHFFFAOYSA-N 0 0 403.378 4.247 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000477095508 892028928 /nfs/dbraw/zinc/02/89/28/892028928.db2.gz SNSNYPLFYPSVBK-BUXKBTBVSA-N 0 0 403.866 4.329 20 5 HIBDRN COc1c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)cccc1[N+](=O)[O-] ZINC000477117190 892047476 /nfs/dbraw/zinc/04/74/76/892047476.db2.gz ZFOWVFNHEVTDOW-UHFFFAOYSA-N 0 0 424.375 4.058 20 5 HIBDRN COc1c(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cccc1[N+](=O)[O-] ZINC000477162560 892084913 /nfs/dbraw/zinc/08/49/13/892084913.db2.gz KFDPQGXGMSOUOR-UHFFFAOYSA-N 0 0 408.798 4.167 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000477172913 892094239 /nfs/dbraw/zinc/09/42/39/892094239.db2.gz WHYCPVWJFAKKAH-UHFFFAOYSA-N 0 0 416.865 4.114 20 5 HIBDRN CC[C@@H](C)n1ncc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1C1CC1 ZINC000477296468 892258294 /nfs/dbraw/zinc/25/82/94/892258294.db2.gz HBNJBPIPQAHNDD-CYBMUJFWSA-N 0 0 409.446 4.205 20 5 HIBDRN CS(=O)(=O)c1ccc(-c2nc(CSc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000477298197 892259253 /nfs/dbraw/zinc/25/92/53/892259253.db2.gz OQHCBMPQXJTINE-UHFFFAOYSA-N 0 0 406.510 4.414 20 5 HIBDRN CCOc1ccc([C@@H](C)N[C@H](CCSC)c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000504912196 913647155 /nfs/dbraw/zinc/64/71/55/913647155.db2.gz RXFHHWSFSLBPKI-GDBMZVCRSA-N 0 0 415.519 4.181 20 5 HIBDRN COc1cc(C(=O)NCc2ccc(OC3CCCCC3)cc2)c([N+](=O)[O-])cc1OC ZINC000504912929 913647395 /nfs/dbraw/zinc/64/73/95/913647395.db2.gz CCTVXDQANIVCPF-UHFFFAOYSA-N 0 0 414.458 4.254 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000477356755 892322272 /nfs/dbraw/zinc/32/22/72/892322272.db2.gz ZQVMEMRCVCXVKX-UHFFFAOYSA-N 0 0 419.437 4.402 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3cccc4ccsc43)CC2)ccc1[N+](=O)[O-] ZINC000477377803 892338373 /nfs/dbraw/zinc/33/83/73/892338373.db2.gz NCOMVPUGTBVAJP-UHFFFAOYSA-N 0 0 411.483 4.171 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000477408002 892360392 /nfs/dbraw/zinc/36/03/92/892360392.db2.gz SLZNPZHIFVOKOV-GXSJLCMTSA-N 0 0 409.202 4.469 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000477408005 892360751 /nfs/dbraw/zinc/36/07/51/892360751.db2.gz SLZNPZHIFVOKOV-ONGXEEELSA-N 0 0 409.202 4.469 20 5 HIBDRN C[C@H](CCc1ccc(Br)cc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477466585 892440045 /nfs/dbraw/zinc/44/00/45/892440045.db2.gz MBWIDMXPQOSUAF-GFCCVEGCSA-N 0 0 409.255 4.176 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000477490497 892491144 /nfs/dbraw/zinc/49/11/44/892491144.db2.gz NEYNAZNJZPYQAX-KRWDZBQOSA-N 0 0 422.268 4.074 20 5 HIBDRN CCOc1cc(Br)ccc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000477545361 892586415 /nfs/dbraw/zinc/58/64/15/892586415.db2.gz NWUYEUYFQWQSCW-UHFFFAOYSA-N 0 0 419.235 4.418 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](Cc2ccccc2OC)C(C)C)c([N+](=O)[O-])cc1OC ZINC000477548632 892593214 /nfs/dbraw/zinc/59/32/14/892593214.db2.gz FNFCZLJBAOBJGW-KRWDZBQOSA-N 0 0 416.474 4.008 20 5 HIBDRN Cc1ccc(-c2ccc(C)c(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)c2)o1 ZINC000477580748 892648404 /nfs/dbraw/zinc/64/84/04/892648404.db2.gz QTFJZMFQXZIZJR-QGZVFWFLSA-N 0 0 423.425 4.308 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)CCc2cccs2)cc1 ZINC000477599136 892679153 /nfs/dbraw/zinc/67/91/53/892679153.db2.gz HMSBBWOAYNUSHE-UHFFFAOYSA-N 0 0 402.497 4.235 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1ccc(Br)s1 ZINC000477605466 892688988 /nfs/dbraw/zinc/68/89/88/892688988.db2.gz HCCQPMJXANKPKP-UHFFFAOYSA-N 0 0 403.685 4.353 20 5 HIBDRN COc1cccc(C2=CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC2)c1 ZINC000477611641 892702866 /nfs/dbraw/zinc/70/28/66/892702866.db2.gz KGGHBNSZPAUKLZ-UHFFFAOYSA-N 0 0 407.470 4.133 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000477613594 892705612 /nfs/dbraw/zinc/70/56/12/892705612.db2.gz WCZPFNACFVTNLS-CYBMUJFWSA-N 0 0 401.850 4.174 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000477613967 892710399 /nfs/dbraw/zinc/71/03/99/892710399.db2.gz FKTUQFWYQQZDHN-UHFFFAOYSA-N 0 0 406.263 4.476 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000477689617 892811889 /nfs/dbraw/zinc/81/18/89/892811889.db2.gz OLJASWVFOMNUGL-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN COC(=O)c1cnc(NCc2cccc(NC(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000477744551 892839780 /nfs/dbraw/zinc/83/97/80/892839780.db2.gz UVHZNRFFZCKYQI-UHFFFAOYSA-N 0 0 421.413 4.033 20 5 HIBDRN CCc1ccc(-c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)cc1 ZINC000504970436 913709596 /nfs/dbraw/zinc/70/95/96/913709596.db2.gz WKNXCHKMSQHQHY-UHFFFAOYSA-N 0 0 408.443 4.154 20 5 HIBDRN COc1cc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)cc([N+](=O)[O-])c1C ZINC000477830321 892893873 /nfs/dbraw/zinc/89/38/73/892893873.db2.gz YTEPNLKNBMMFRW-INIZCTEOSA-N 0 0 400.431 4.163 20 5 HIBDRN COc1cc(CN(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000477844777 892905630 /nfs/dbraw/zinc/90/56/30/892905630.db2.gz FOUVGVUQXHQVCW-CYBMUJFWSA-N 0 0 406.529 4.465 20 5 HIBDRN Cc1nc(C(F)(F)F)ccc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512380713 921118170 /nfs/dbraw/zinc/11/81/70/921118170.db2.gz GRFPGVGTTHHCLC-UHFFFAOYSA-N 0 0 403.744 4.378 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)c1 ZINC000477914229 892993697 /nfs/dbraw/zinc/99/36/97/892993697.db2.gz ILGNXDLZCKFLCY-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccccc2)cn1)c1ccc([N+](=O)[O-])cc1F ZINC000477928019 893015741 /nfs/dbraw/zinc/01/57/41/893015741.db2.gz MMIKNGKOBGOLBF-CYBMUJFWSA-N 0 0 408.389 4.123 20 5 HIBDRN Cc1ccncc1CN(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000477935653 893025261 /nfs/dbraw/zinc/02/52/61/893025261.db2.gz WVDQXXOJKGANMW-MRXNPFEDSA-N 0 0 405.458 4.139 20 5 HIBDRN CCN(C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[C@H](C)C(F)(F)F ZINC000477952024 893041780 /nfs/dbraw/zinc/04/17/80/893041780.db2.gz YDRMIGAIPZNXPF-HZSPNIEDSA-N 0 0 401.429 4.490 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CCc3nnc(-c4cc5ccccc5o4)o3)n2)c1 ZINC000504984921 913730115 /nfs/dbraw/zinc/73/01/15/913730115.db2.gz BKKUBIRYKAROON-UHFFFAOYSA-N 0 0 403.354 4.226 20 5 HIBDRN CCOC(=O)c1csc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)n1 ZINC000478035745 893165237 /nfs/dbraw/zinc/16/52/37/893165237.db2.gz PIZPVYHQZJEDIE-CYBMUJFWSA-N 0 0 413.402 4.171 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c1 ZINC000478043915 893183719 /nfs/dbraw/zinc/18/37/19/893183719.db2.gz DQNIFTGIELNRSE-UHFFFAOYSA-N 0 0 409.423 4.403 20 5 HIBDRN CCOC[C@@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000478047080 893191664 /nfs/dbraw/zinc/19/16/64/893191664.db2.gz LRMDFIBIQOCLNO-QRWLVFNGSA-N 0 0 417.893 4.286 20 5 HIBDRN CCc1nc2c(s1)[C@H](N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000478057451 893213663 /nfs/dbraw/zinc/21/36/63/893213663.db2.gz WWAJWFPDTLXNCZ-CQSZACIVSA-N 0 0 408.911 4.215 20 5 HIBDRN COc1ccc(Sc2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)cc2Cl)cc1 ZINC000478076999 893238824 /nfs/dbraw/zinc/23/88/24/893238824.db2.gz NXKXEEBDXJAXSW-UHFFFAOYSA-N 0 0 418.862 4.394 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000478106672 893271745 /nfs/dbraw/zinc/27/17/45/893271745.db2.gz BIMWLICSIDYJHY-UHFFFAOYSA-N 0 0 409.417 4.023 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000478116039 893282986 /nfs/dbraw/zinc/28/29/86/893282986.db2.gz JYFRQWLWGBIJIB-UHFFFAOYSA-N 0 0 419.481 4.121 20 5 HIBDRN CCCC[C@@](C)(NC(=O)Cn1cc([N+](=O)[O-])nc1C)c1cccc(Br)c1 ZINC000478143107 893314134 /nfs/dbraw/zinc/31/41/34/893314134.db2.gz YLKOMKFLFNSWKR-GOSISDBHSA-N 0 0 423.311 4.084 20 5 HIBDRN CC(C)(C)c1ccc(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000478174850 893340859 /nfs/dbraw/zinc/34/08/59/893340859.db2.gz ISWJCOQBKWIJOK-UHFFFAOYSA-N 0 0 409.530 4.468 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478222642 893382245 /nfs/dbraw/zinc/38/22/45/893382245.db2.gz DPTHQXXJFHFDIW-UHFFFAOYSA-N 0 0 410.861 4.454 20 5 HIBDRN C[C@@H](C1CC1)N(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 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CCO[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C12CCCCC2 ZINC000479833058 895154959 /nfs/dbraw/zinc/15/49/59/895154959.db2.gz WPABJLYEQCOYIJ-HOTGVXAUSA-N 0 0 411.296 4.215 20 5 HIBDRN CC(C)c1nc(C2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)no1 ZINC000505281369 913940443 /nfs/dbraw/zinc/94/04/43/913940443.db2.gz NNORPBJZWKNZTD-CYBMUJFWSA-N 0 0 412.450 4.092 20 5 HIBDRN COc1cc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1C ZINC000479871978 895215570 /nfs/dbraw/zinc/21/55/70/895215570.db2.gz KAMQMLHOEMMDAN-UHFFFAOYSA-N 0 0 400.431 4.048 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(SC)cc1 ZINC000479972424 895326965 /nfs/dbraw/zinc/32/69/65/895326965.db2.gz RWOZDKPDWHNSBG-MRXNPFEDSA-N 0 0 403.460 4.051 20 5 HIBDRN CC(C)c1oc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])nn2C)nc1-c1ccccc1 ZINC000479984671 895337911 /nfs/dbraw/zinc/33/79/11/895337911.db2.gz JRTAJQUBPDOXHA-HNNXBMFYSA-N 0 0 409.446 4.084 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480025589 895374628 /nfs/dbraw/zinc/37/46/28/895374628.db2.gz YXCMFTCTHAGCRS-NSHDSACASA-N 0 0 412.343 4.153 20 5 HIBDRN CCN(Cc1cccc(Br)c1)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000480067861 895417678 /nfs/dbraw/zinc/41/76/78/895417678.db2.gz NPHYBBJRBSCJIC-UHFFFAOYSA-N 0 0 406.280 4.397 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000480074728 895426405 /nfs/dbraw/zinc/42/64/05/895426405.db2.gz XOAKQCIXEWERPP-HOTGVXAUSA-N 0 0 424.501 4.343 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000480075310 895426905 /nfs/dbraw/zinc/42/69/05/895426905.db2.gz UOOAVIDXMJVQNH-UHFFFAOYSA-N 0 0 421.457 4.326 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)c3nc4ccccc4o3)cc2[N+](=O)[O-])C1 ZINC000505309780 913971707 /nfs/dbraw/zinc/97/17/07/913971707.db2.gz BEPOMLIXGAXEAA-GASCZTMLSA-N 0 0 408.458 4.495 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000480158265 895544372 /nfs/dbraw/zinc/54/43/72/895544372.db2.gz XFIDVYPAORMPTJ-AWEZNQCLSA-N 0 0 421.356 4.294 20 5 HIBDRN O=C(CNc1cc(F)cc([N+](=O)[O-])c1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000480166578 895556105 /nfs/dbraw/zinc/55/61/05/895556105.db2.gz PGEZLKJSCGTRBJ-IBGZPJMESA-N 0 0 403.410 4.252 20 5 HIBDRN COc1cc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc([N+](=O)[O-])c1C ZINC000480168960 895558100 /nfs/dbraw/zinc/55/81/00/895558100.db2.gz LNHMNDDZGKKQFB-OAHLLOKOSA-N 0 0 409.442 4.459 20 5 HIBDRN O=C(N[C@@H]1CCCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1Br ZINC000480206383 895607667 /nfs/dbraw/zinc/60/76/67/895607667.db2.gz MLZMGEROXZEVOV-OAHLLOKOSA-N 0 0 409.211 4.140 20 5 HIBDRN O=C(N[C@H]1CCCOc2c(F)cccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000480206711 895608740 /nfs/dbraw/zinc/60/87/40/895608740.db2.gz PSCYNVPNITWNDA-AWEZNQCLSA-N 0 0 409.211 4.140 20 5 HIBDRN CC(C)(C)[C@H]1CCc2nc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)sc2C1 ZINC000480237435 895646939 /nfs/dbraw/zinc/64/69/39/895646939.db2.gz QFWZMIKUATUOSJ-NSHDSACASA-N 0 0 417.487 4.226 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)C[C@@H]1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000480285920 895690831 /nfs/dbraw/zinc/69/08/31/895690831.db2.gz BVKTWTCRDRONHV-UTKZUKDTSA-N 0 0 424.497 4.289 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H](C)c2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000480298747 895704630 /nfs/dbraw/zinc/70/46/30/895704630.db2.gz HUCPAIBZWKLMOQ-VIFPVBQESA-N 0 0 412.215 4.388 20 5 HIBDRN COc1ccc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)c([N+](=O)[O-])c1 ZINC000480325076 895726448 /nfs/dbraw/zinc/72/64/48/895726448.db2.gz HTCUEDVSUDYINM-UHFFFAOYSA-N 0 0 404.220 4.028 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@H]1C(C)C ZINC000480342000 895746852 /nfs/dbraw/zinc/74/68/52/895746852.db2.gz ZIJYORBFXXUWBS-CQSZACIVSA-N 0 0 416.259 4.014 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000480347816 895753209 /nfs/dbraw/zinc/75/32/09/895753209.db2.gz MOTLBTAECAKBBS-AWEZNQCLSA-N 0 0 420.425 4.369 20 5 HIBDRN Cc1ccc(Oc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c(Br)c1 ZINC000480373516 895780342 /nfs/dbraw/zinc/78/03/42/895780342.db2.gz FHEQOFXXOKYMHQ-UHFFFAOYSA-N 0 0 416.231 4.423 20 5 HIBDRN CCN(CC)C(=O)c1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000480374714 895782847 /nfs/dbraw/zinc/78/28/47/895782847.db2.gz CICVBOZAERYRMW-UHFFFAOYSA-N 0 0 410.474 4.273 20 5 HIBDRN CCS[C@H]1CCCCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 ZINC000480376584 895784228 /nfs/dbraw/zinc/78/42/28/895784228.db2.gz NBWQXZGIQTXIQZ-IBGZPJMESA-N 0 0 416.547 4.204 20 5 HIBDRN Cc1cc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)ccc1[N+](=O)[O-] ZINC000480426423 895821950 /nfs/dbraw/zinc/82/19/50/895821950.db2.gz RDETWTLDCPGPTK-UHFFFAOYSA-N 0 0 401.426 4.143 20 5 HIBDRN COc1cc(CNc2cc3c[nH]nc3cc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000480455637 895842197 /nfs/dbraw/zinc/84/21/97/895842197.db2.gz VEFSNZYUCNNCCZ-UHFFFAOYSA-N 0 0 410.352 4.341 20 5 HIBDRN COCc1c(Br)cccc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000505345894 914009840 /nfs/dbraw/zinc/00/98/40/914009840.db2.gz RDORXWKSLQOMQY-UHFFFAOYSA-N 0 0 411.277 4.478 20 5 HIBDRN COCCC[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000480546301 895907336 /nfs/dbraw/zinc/90/73/36/895907336.db2.gz BKGQQSJQKJEVBW-IBGZPJMESA-N 0 0 411.502 4.281 20 5 HIBDRN CC[C@@H](c1ccccc1)N(CC)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000480596905 895958812 /nfs/dbraw/zinc/95/88/12/895958812.db2.gz HHDRTOZIPJOITH-SFHVURJKSA-N 0 0 415.490 4.337 20 5 HIBDRN COCCCC[C@@H](NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000480618992 895986634 /nfs/dbraw/zinc/98/66/34/895986634.db2.gz WZHIJLYXEKUIBT-GOSISDBHSA-N 0 0 406.504 4.048 20 5 HIBDRN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000480661737 896027244 /nfs/dbraw/zinc/02/72/44/896027244.db2.gz IPWMKXBJWCMXMH-OAHLLOKOSA-N 0 0 422.485 4.113 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)c1[N+](=O)[O-] ZINC000480712197 896074426 /nfs/dbraw/zinc/07/44/26/896074426.db2.gz INOAXSSNLGFCLU-INIZCTEOSA-N 0 0 420.487 4.011 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000480722125 896082342 /nfs/dbraw/zinc/08/23/42/896082342.db2.gz AMSONVVFGXXBDI-UHFFFAOYSA-N 0 0 424.906 4.097 20 5 HIBDRN CCOC(=O)c1cc(F)c(F)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480722781 896082822 /nfs/dbraw/zinc/08/28/22/896082822.db2.gz KPAANTMHNGMTQV-UHFFFAOYSA-N 0 0 419.384 4.246 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000480732379 896093699 /nfs/dbraw/zinc/09/36/99/896093699.db2.gz DRSRIXUAYQUQMQ-UHFFFAOYSA-N 0 0 405.458 4.010 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000480843099 896216465 /nfs/dbraw/zinc/21/64/65/896216465.db2.gz GXLIUQYLMPWAQS-UHFFFAOYSA-N 0 0 404.430 4.144 20 5 HIBDRN Cc1c(Br)c(N[C@@H](C)c2ccc(Br)cn2)ncc1[N+](=O)[O-] ZINC000480851401 896220898 /nfs/dbraw/zinc/22/08/98/896220898.db2.gz ZZCQMSPJTWPXEZ-QMMMGPOBSA-N 0 0 416.073 4.391 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000480869419 896231328 /nfs/dbraw/zinc/23/13/28/896231328.db2.gz XXCBVUTUTGCFGX-LLVKDONJSA-N 0 0 410.396 4.053 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCc2cc(Br)ccc2C1 ZINC000480991147 896324023 /nfs/dbraw/zinc/32/40/23/896324023.db2.gz RZXLLIQZVCVZBA-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000481164151 896494676 /nfs/dbraw/zinc/49/46/76/896494676.db2.gz OUUPIYYFSNQJCS-UHFFFAOYSA-N 0 0 422.890 4.104 20 5 HIBDRN CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2C)ccn1 ZINC000481183657 896527102 /nfs/dbraw/zinc/52/71/02/896527102.db2.gz RLXJJOAVCIGSRE-UHFFFAOYSA-N 0 0 420.425 4.011 20 5 HIBDRN CN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000481200895 896554471 /nfs/dbraw/zinc/55/44/71/896554471.db2.gz PHBJCABTRVRIRP-SJORKVTESA-N 0 0 410.808 4.093 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCOc2cc(Br)c(Cl)cc21 ZINC000481235967 896585057 /nfs/dbraw/zinc/58/50/57/896585057.db2.gz OSQIPPJXWDNKIP-UHFFFAOYSA-N 0 0 403.641 4.111 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000481244031 896595987 /nfs/dbraw/zinc/59/59/87/896595987.db2.gz ZFYILPZFVZJBQA-NSHDSACASA-N 0 0 419.261 4.219 20 5 HIBDRN O=[N+]([O-])c1ccn(CCSc2nnc(-c3ccccc3F)n2Cc2ccccc2)n1 ZINC000481247704 896599401 /nfs/dbraw/zinc/59/94/01/896599401.db2.gz XNZXINXHQLKXMT-UHFFFAOYSA-N 0 0 424.461 4.030 20 5 HIBDRN CC[C@@H](C)Cc1c(C)sc2[nH]c(SCCn3ccc([N+](=O)[O-])n3)nc(=O)c12 ZINC000481253015 896603826 /nfs/dbraw/zinc/60/38/26/896603826.db2.gz DGARXESSUXYINH-SNVBAGLBSA-N 0 0 407.521 4.191 20 5 HIBDRN C[C@@H](c1ccccc1)n1c(SCCn2ccc([N+](=O)[O-])n2)nnc1-c1ccccc1 ZINC000481271695 896619903 /nfs/dbraw/zinc/61/99/03/896619903.db2.gz DOLUZBVPRBGAKS-INIZCTEOSA-N 0 0 420.498 4.451 20 5 HIBDRN COc1cccc(C(NC(=O)NCc2ccc([N+](=O)[O-])cc2)c2cccc(OC)c2)c1 ZINC000481282406 896630384 /nfs/dbraw/zinc/63/03/84/896630384.db2.gz RCWOIZRJIIHEMF-UHFFFAOYSA-N 0 0 421.453 4.201 20 5 HIBDRN CCn1c(SCc2cn3cc(Cl)ccc3n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481335087 896698307 /nfs/dbraw/zinc/69/83/07/896698307.db2.gz GHTVJDJDEKDJSX-UHFFFAOYSA-N 0 0 414.878 4.467 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000481347328 896718726 /nfs/dbraw/zinc/71/87/26/896718726.db2.gz LCNYFHWXNBHGRM-GOSISDBHSA-N 0 0 410.474 4.028 20 5 HIBDRN COC(=O)c1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cc1 ZINC000481421014 896823743 /nfs/dbraw/zinc/82/37/43/896823743.db2.gz ZTZINBMZHPNTDB-OAHLLOKOSA-N 0 0 402.756 4.428 20 5 HIBDRN Cn1c2ccccc2nc1[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000481422101 896824064 /nfs/dbraw/zinc/82/40/64/896824064.db2.gz RUYJELPXHNBRAA-JOCHJYFZSA-N 0 0 402.454 4.240 20 5 HIBDRN CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000481450022 896845766 /nfs/dbraw/zinc/84/57/66/896845766.db2.gz YPHVJTLCLOVKJT-NRFANRHFSA-N 0 0 411.483 4.098 20 5 HIBDRN CCn1c(SCc2ccc(C(=O)OC)cn2)nc2cc3ccccc3cc2c1=O ZINC000505444110 914107957 /nfs/dbraw/zinc/10/79/57/914107957.db2.gz OTELTRABBHSOKS-UHFFFAOYSA-N 0 0 405.479 4.044 20 5 HIBDRN Cn1nccc1NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000481456375 896851435 /nfs/dbraw/zinc/85/14/35/896851435.db2.gz UNUOOKFKUODHFN-UHFFFAOYSA-N 0 0 419.800 4.235 20 5 HIBDRN CCOc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc(OCC)c1OCC ZINC000481467977 896858612 /nfs/dbraw/zinc/85/86/12/896858612.db2.gz UYBOVOOXTUCMBE-UHFFFAOYSA-N 0 0 402.447 4.029 20 5 HIBDRN CCOc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)ccc1OCc1cccnc1 ZINC000481472912 896860819 /nfs/dbraw/zinc/86/08/19/896860819.db2.gz FIEIJRDHOMCNDY-UHFFFAOYSA-N 0 0 421.453 4.206 20 5 HIBDRN Cc1c(CNC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)cccc1[N+](=O)[O-] ZINC000481479332 896864112 /nfs/dbraw/zinc/86/41/12/896864112.db2.gz QCXHZTUVSZGVTA-UHFFFAOYSA-N 0 0 403.866 4.471 20 5 HIBDRN Cc1c(NC(=O)CCN2CCO[C@H](c3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000481580620 896960836 /nfs/dbraw/zinc/96/08/36/896960836.db2.gz SWULIJDJNITKMT-IBGZPJMESA-N 0 0 421.856 4.098 20 5 HIBDRN COC(=O)[C@@](C)(NCc1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000481625865 897010604 /nfs/dbraw/zinc/01/06/04/897010604.db2.gz QAONAMZTJNOYDH-KRWDZBQOSA-N 0 0 401.221 4.219 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481693540 897078518 /nfs/dbraw/zinc/07/85/18/897078518.db2.gz SVMMCJIEVSMWSK-NYHFZMIOSA-N 0 0 406.442 4.227 20 5 HIBDRN CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000481697179 897084618 /nfs/dbraw/zinc/08/46/18/897084618.db2.gz FPAMTWYPXNDJFC-BLLLJJGKSA-N 0 0 401.410 4.302 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)N(CC)CC)cc1 ZINC000481711961 897101984 /nfs/dbraw/zinc/10/19/84/897101984.db2.gz KZGAGLUOYSFVTE-UHFFFAOYSA-N 0 0 415.515 4.370 20 5 HIBDRN Cc1cnc(OCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c([N+](=O)[O-])c1 ZINC000481731288 897125319 /nfs/dbraw/zinc/12/53/19/897125319.db2.gz COHBIBVKYJLOBK-UHFFFAOYSA-N 0 0 412.471 4.364 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000481735983 897129763 /nfs/dbraw/zinc/12/97/63/897129763.db2.gz CHTPOCVULYAESM-UHFFFAOYSA-N 0 0 401.488 4.104 20 5 HIBDRN CCOc1cc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)ccc1[N+](=O)[O-] ZINC000481763401 897151788 /nfs/dbraw/zinc/15/17/88/897151788.db2.gz VJZWZKWFUXURHH-UHFFFAOYSA-N 0 0 414.487 4.032 20 5 HIBDRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000481873553 897245711 /nfs/dbraw/zinc/24/57/11/897245711.db2.gz WZAUKKLNRGHPDQ-GFCCVEGCSA-N 0 0 409.255 4.176 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000481877012 897248962 /nfs/dbraw/zinc/24/89/62/897248962.db2.gz VWSFEZZNAQZNBO-UHFFFAOYSA-N 0 0 407.361 4.060 20 5 HIBDRN Cc1ccc(-n2ncc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])c2C(C)C)cc1 ZINC000481882540 897253572 /nfs/dbraw/zinc/25/35/72/897253572.db2.gz CXFRMAWEQVWXSD-UHFFFAOYSA-N 0 0 407.474 4.287 20 5 HIBDRN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000481904238 897284351 /nfs/dbraw/zinc/28/43/51/897284351.db2.gz ZRIDBYHVUQJHDU-UHFFFAOYSA-N 0 0 418.453 4.044 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1nnc(-c2ccccc2)s1 ZINC000481923020 897307224 /nfs/dbraw/zinc/30/72/24/897307224.db2.gz NFFLJPFIDXRFPG-UHFFFAOYSA-N 0 0 403.851 4.131 20 5 HIBDRN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000481953818 897342747 /nfs/dbraw/zinc/34/27/47/897342747.db2.gz SBISKQIGAJMWKM-UHFFFAOYSA-N 0 0 405.439 4.080 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1c(F)cc(Br)cc1F ZINC000481955609 897344968 /nfs/dbraw/zinc/34/49/68/897344968.db2.gz HSBGAUYOICFTBP-UHFFFAOYSA-N 0 0 421.219 4.053 20 5 HIBDRN COc1ccc(-c2nnc(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 ZINC000481978397 897372421 /nfs/dbraw/zinc/37/24/21/897372421.db2.gz DFAXKUCPCSJDAR-GFCCVEGCSA-N 0 0 413.459 4.313 20 5 HIBDRN COC(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1 ZINC000481988640 897384168 /nfs/dbraw/zinc/38/41/68/897384168.db2.gz BWXGIWXPDRBYKV-UHFFFAOYSA-N 0 0 416.499 4.102 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000482029204 897437966 /nfs/dbraw/zinc/43/79/66/897437966.db2.gz BTWWEPMIYFJXMT-SFHVURJKSA-N 0 0 407.239 4.306 20 5 HIBDRN Cc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000482040007 897456722 /nfs/dbraw/zinc/45/67/22/897456722.db2.gz NQLFNZBBEKOZMS-QGZVFWFLSA-N 0 0 404.850 4.369 20 5 HIBDRN CCc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CCO2)cc1 ZINC000482066792 897501671 /nfs/dbraw/zinc/50/16/71/897501671.db2.gz XDJGQYCRBNRBBL-SFHVURJKSA-N 0 0 408.376 4.390 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000482072692 897507152 /nfs/dbraw/zinc/50/71/52/897507152.db2.gz IZXAAXRTVMLWDL-UHFFFAOYSA-N 0 0 417.487 4.486 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000482095409 897540976 /nfs/dbraw/zinc/54/09/76/897540976.db2.gz OWEUBIADGRFOOC-UHFFFAOYSA-N 0 0 417.487 4.060 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3ncccc3OCC(F)F)n2)cc1[N+](=O)[O-] ZINC000482109863 897559719 /nfs/dbraw/zinc/55/97/19/897559719.db2.gz ZOIWKOGZNNNPNN-UHFFFAOYSA-N 0 0 420.397 4.318 20 5 HIBDRN C[C@@H](O)[C@@](C)(CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Cc1ccccc1 ZINC000482121125 897574712 /nfs/dbraw/zinc/57/47/12/897574712.db2.gz CHHXLLULOYDITA-WGDIFIGCSA-N 0 0 414.505 4.041 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000482130992 897589176 /nfs/dbraw/zinc/58/91/76/897589176.db2.gz VNZHBRBPTVDLTB-AOMKIAJQSA-N 0 0 416.543 4.455 20 5 HIBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](CC1CCC1)c1ccccc1 ZINC000482166812 897631725 /nfs/dbraw/zinc/63/17/25/897631725.db2.gz GEQXJWFUBUDFDV-KRWDZBQOSA-N 0 0 415.877 4.026 20 5 HIBDRN Cc1coc(-c2ccc(C)c(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2)n1 ZINC000482168528 897633330 /nfs/dbraw/zinc/63/33/30/897633330.db2.gz ZPPKFLLUWDGXMM-UHFFFAOYSA-N 0 0 403.398 4.305 20 5 HIBDRN CCC[C@@H](C)C(=O)NCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000482246340 897728316 /nfs/dbraw/zinc/72/83/16/897728316.db2.gz VGRXFPVWKRYXNT-OAHLLOKOSA-N 0 0 415.515 4.028 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000482272531 897759515 /nfs/dbraw/zinc/75/95/15/897759515.db2.gz SFKIATIKHGJYQV-JTQLQIEISA-N 0 0 414.336 4.002 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CCc4n[nH]c(=O)cc4C3)cc2[N+](=O)[O-])cc1 ZINC000482276036 897765906 /nfs/dbraw/zinc/76/59/06/897765906.db2.gz IEXPIQIMGJLLCI-UHFFFAOYSA-N 0 0 408.483 4.108 20 5 HIBDRN COCCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000482381993 897910094 /nfs/dbraw/zinc/91/00/94/897910094.db2.gz DCRKKGBAPLCUGE-CQSZACIVSA-N 0 0 404.488 4.175 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000482395384 897930877 /nfs/dbraw/zinc/93/08/77/897930877.db2.gz KUZGRRHRHOVQRQ-OAHLLOKOSA-N 0 0 403.307 4.018 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CCC(c4nnc5n4CCCC5)CC3)cs2)c1 ZINC000482509475 898092750 /nfs/dbraw/zinc/09/27/50/898092750.db2.gz MVULQCYQAZZRRY-UHFFFAOYSA-N 0 0 424.530 4.026 20 5 HIBDRN CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000482516689 898104089 /nfs/dbraw/zinc/10/40/89/898104089.db2.gz CHVQGCBEIUGXHS-ZDUSSCGKSA-N 0 0 405.882 4.245 20 5 HIBDRN Cc1cc(Br)c(O)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000482550758 898140300 /nfs/dbraw/zinc/14/03/00/898140300.db2.gz JYHQLRNVXXFOEB-UHFFFAOYSA-N 0 0 406.236 4.198 20 5 HIBDRN O=c1cc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482555362 898147335 /nfs/dbraw/zinc/14/73/35/898147335.db2.gz QVTLLFMCVTZIOH-UHFFFAOYSA-N 0 0 403.398 4.166 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000482563417 898156333 /nfs/dbraw/zinc/15/63/33/898156333.db2.gz PKNMEKSEWRKFHY-ZDUSSCGKSA-N 0 0 416.474 4.409 20 5 HIBDRN CCCCCn1nc(C)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000482611764 898213720 /nfs/dbraw/zinc/21/37/20/898213720.db2.gz UINREIYSUYMFKE-UHFFFAOYSA-N 0 0 414.384 4.483 20 5 HIBDRN CCc1c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000482699162 898298884 /nfs/dbraw/zinc/29/88/84/898298884.db2.gz WVFPSUATRRWWIL-UHFFFAOYSA-N 0 0 413.865 4.071 20 5 HIBDRN CN(Cc1ccc(F)cc1Br)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000482786813 898395320 /nfs/dbraw/zinc/39/53/20/898395320.db2.gz CGGWHWQNKAQLDV-UHFFFAOYSA-N 0 0 409.255 4.433 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1Br ZINC000482812921 898423506 /nfs/dbraw/zinc/42/35/06/898423506.db2.gz YYTCJBDMZBEEHG-JTQLQIEISA-N 0 0 413.655 4.208 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000482863840 898475596 /nfs/dbraw/zinc/47/55/96/898475596.db2.gz GNWHRSXIZPCVKX-ZIAGYGMSSA-N 0 0 402.422 4.207 20 5 HIBDRN Cc1ccc(Nc2cccc(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])c2)nn1 ZINC000482882764 898495574 /nfs/dbraw/zinc/49/55/74/898495574.db2.gz SHPNPJKGLTWBLA-UHFFFAOYSA-N 0 0 411.849 4.063 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCc2ccncc2)cc1 ZINC000482908546 898527871 /nfs/dbraw/zinc/52/78/71/898527871.db2.gz AKNQYYZSHGDXRJ-UHFFFAOYSA-N 0 0 411.845 4.195 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCc2ccccn2)cc1 ZINC000482911283 898530465 /nfs/dbraw/zinc/53/04/65/898530465.db2.gz PORZTSFXEIHHFW-UHFFFAOYSA-N 0 0 411.845 4.195 20 5 HIBDRN O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000482991178 898633712 /nfs/dbraw/zinc/63/37/12/898633712.db2.gz VTNRBZSFGYQJST-UHFFFAOYSA-N 0 0 414.824 4.191 20 5 HIBDRN CCOc1ccc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)OC)cc1[N+](=O)[O-] ZINC000482992230 898635237 /nfs/dbraw/zinc/63/52/37/898635237.db2.gz RKPDSUOFWZPCAI-UHFFFAOYSA-N 0 0 406.460 4.391 20 5 HIBDRN Cc1cc(Br)ccc1NC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000505566041 914270480 /nfs/dbraw/zinc/27/04/80/914270480.db2.gz ZOMBXDHNRPLTIF-UHFFFAOYSA-N 0 0 415.247 4.168 20 5 HIBDRN C[C@]1(O)CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC000483044726 898714561 /nfs/dbraw/zinc/71/45/61/898714561.db2.gz HMDCICWVUUEAHZ-KFGZODLXSA-N 0 0 423.494 4.119 20 5 HIBDRN O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000483062469 898741739 /nfs/dbraw/zinc/74/17/39/898741739.db2.gz RODWGHIKSUNSLM-UHFFFAOYSA-N 0 0 414.381 4.169 20 5 HIBDRN Cc1ccc(NCCCNC(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000483074477 898756324 /nfs/dbraw/zinc/75/63/24/898756324.db2.gz DVGAIELZDJNIQP-ZIAGYGMSSA-N 0 0 402.417 4.078 20 5 HIBDRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000483179385 898845045 /nfs/dbraw/zinc/84/50/45/898845045.db2.gz FXUGZRHGYCOENZ-AWEZNQCLSA-N 0 0 423.473 4.441 20 5 HIBDRN COc1cccc(C2(NC(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)CC2)c1 ZINC000483366803 899003933 /nfs/dbraw/zinc/00/39/33/899003933.db2.gz SGXMNECAJWZHAB-UHFFFAOYSA-N 0 0 420.263 4.485 20 5 HIBDRN COc1ccc(CNCC(F)(F)C(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000483421475 899050555 /nfs/dbraw/zinc/05/05/55/899050555.db2.gz NKLUHOWWAFHVHR-UHFFFAOYSA-N 0 0 402.344 4.172 20 5 HIBDRN CC[C@@H](c1ccc(Br)cc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000505605589 914310297 /nfs/dbraw/zinc/31/02/97/914310297.db2.gz DKPKDTLEXZLZGL-INIZCTEOSA-N 0 0 405.296 4.026 20 5 HIBDRN CCN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000505616930 914320112 /nfs/dbraw/zinc/32/01/12/914320112.db2.gz XHULOIHDOXFVSA-MRXNPFEDSA-N 0 0 424.906 4.050 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000483670726 899332856 /nfs/dbraw/zinc/33/28/56/899332856.db2.gz KNORSIQVTLZKEM-KRWDZBQOSA-N 0 0 406.891 4.404 20 5 HIBDRN O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505642805 914342817 /nfs/dbraw/zinc/34/28/17/914342817.db2.gz XHQZKBXVRKXZTG-UHFFFAOYSA-N 0 0 411.339 4.437 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc(C)c1C ZINC000483829609 899508983 /nfs/dbraw/zinc/50/89/83/899508983.db2.gz MGACPTNHTSBPPB-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000483945997 899598884 /nfs/dbraw/zinc/59/88/84/899598884.db2.gz VJMZOHGNQNUUFR-XJKSGUPXSA-N 0 0 413.327 4.093 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N(Cc1ccc(Cl)cc1)c1ccccc1Cl ZINC000483955193 899605465 /nfs/dbraw/zinc/60/54/65/899605465.db2.gz DCIQSROCEZGOKH-UHFFFAOYSA-N 0 0 405.241 4.482 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000484061225 899694086 /nfs/dbraw/zinc/69/40/86/899694086.db2.gz SSTSWYGBRQXRKO-MRXNPFEDSA-N 0 0 423.444 4.457 20 5 HIBDRN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000484254707 899835973 /nfs/dbraw/zinc/83/59/73/899835973.db2.gz NQBYAWGCWBZZPJ-UHFFFAOYSA-N 0 0 415.409 4.284 20 5 HIBDRN CCOC(=O)CCc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000484285287 899851822 /nfs/dbraw/zinc/85/18/22/899851822.db2.gz YWAIKLYVWUEMFG-UHFFFAOYSA-N 0 0 411.458 4.287 20 5 HIBDRN Cc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)cc([N+](=O)[O-])c1 ZINC000484295036 899859122 /nfs/dbraw/zinc/85/91/22/899859122.db2.gz DCBLJFMUJCOMDN-UHFFFAOYSA-N 0 0 407.451 4.332 20 5 HIBDRN O=C(NCC1CCN(c2ccccc2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505699220 914386834 /nfs/dbraw/zinc/38/68/34/914386834.db2.gz GVEYDIWEUVVFRQ-UHFFFAOYSA-N 0 0 422.510 4.365 20 5 HIBDRN CC[C@@H](C)[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2ccccc2[nH]1 ZINC000484305246 899866414 /nfs/dbraw/zinc/86/64/14/899866414.db2.gz HZOWKUGTBDYOSM-JLTOFOAXSA-N 0 0 418.457 4.174 20 5 HIBDRN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)cc1[N+](=O)[O-] ZINC000484307022 899867703 /nfs/dbraw/zinc/86/77/03/899867703.db2.gz GWNBWVDAPZCEOU-UHFFFAOYSA-N 0 0 407.451 4.332 20 5 HIBDRN Cc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)ccc1[N+](=O)[O-] ZINC000484309315 899868924 /nfs/dbraw/zinc/86/89/24/899868924.db2.gz OJANFJRSQGQDQI-UHFFFAOYSA-N 0 0 407.451 4.332 20 5 HIBDRN Cc1c([C@H](C)NCc2csc(CNC(=O)c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000484310119 899870385 /nfs/dbraw/zinc/87/03/85/899870385.db2.gz PIDNGGWMBVUNIJ-HNNXBMFYSA-N 0 0 410.499 4.141 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCN(C2CC2)c2ccc(Cl)cc21 ZINC000484344543 899894481 /nfs/dbraw/zinc/89/44/81/899894481.db2.gz NRTNFBGFMYUHBR-UHFFFAOYSA-N 0 0 423.803 4.479 20 5 HIBDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000484404729 899929015 /nfs/dbraw/zinc/92/90/15/899929015.db2.gz WBAURBLVKCADLS-LLVKDONJSA-N 0 0 401.806 4.119 20 5 HIBDRN Cc1c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000505710380 914393256 /nfs/dbraw/zinc/39/32/56/914393256.db2.gz GPEUIGMTBSZETD-UHFFFAOYSA-N 0 0 420.429 4.175 20 5 HIBDRN COCCN(C(=O)Cc1ccc(C)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000512384256 921120387 /nfs/dbraw/zinc/12/03/87/921120387.db2.gz MTGXSWDEYHCNLS-UHFFFAOYSA-N 0 0 417.512 4.310 20 5 HIBDRN COCCn1c2ccc(Cl)cc2nc1SCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000484484765 899975772 /nfs/dbraw/zinc/97/57/72/899975772.db2.gz OHMAJNUKRLQLGA-UHFFFAOYSA-N 0 0 417.878 4.413 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000484517721 900006098 /nfs/dbraw/zinc/00/60/98/900006098.db2.gz UBTCZFKDRCPBLQ-WSTZPKSXSA-N 0 0 411.458 4.030 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CSc1nc2ccccc2n1-c1ccc(F)cc1F ZINC000484576958 900043173 /nfs/dbraw/zinc/04/31/73/900043173.db2.gz ZXMQVRMHVUKJLF-UHFFFAOYSA-N 0 0 401.398 4.238 20 5 HIBDRN O=C(Nc1ccc(-c2ccc(Br)s2)nn1)c1ccccc1[N+](=O)[O-] ZINC000484593599 900055573 /nfs/dbraw/zinc/05/55/73/900055573.db2.gz KTRCZFOYTICIQG-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1c2c(ccc1Cl)OCC2 ZINC000484603736 900064424 /nfs/dbraw/zinc/06/44/24/900064424.db2.gz JAOQVAOYGRQPBF-UHFFFAOYSA-N 0 0 411.639 4.127 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cccc1[N+](=O)[O-] ZINC000484605749 900065437 /nfs/dbraw/zinc/06/54/37/900065437.db2.gz MJKVTAPUBSKISP-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2noc([C@@H]3COc4ccccc4O3)n2)c2ccccc21 ZINC000484612191 900069558 /nfs/dbraw/zinc/06/95/58/900069558.db2.gz IVKPILWPFNDIDT-IBGZPJMESA-N 0 0 405.366 4.223 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCOc2cc(Cl)c(Cl)cc21 ZINC000484641735 900089475 /nfs/dbraw/zinc/08/94/75/900089475.db2.gz PJRBPCMBNQULHG-UHFFFAOYSA-N 0 0 419.224 4.127 20 5 HIBDRN COc1cc(C(=O)Nc2c(F)ccc(C)c2Br)cc([N+](=O)[O-])c1OC ZINC000484670834 900113176 /nfs/dbraw/zinc/11/31/76/900113176.db2.gz JPDBWEKPLAZXDM-UHFFFAOYSA-N 0 0 413.199 4.074 20 5 HIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000484743659 900166753 /nfs/dbraw/zinc/16/67/53/900166753.db2.gz DMUPOQWODDVTEG-UHFFFAOYSA-N 0 0 407.373 4.433 20 5 HIBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@](C)(C(F)(F)F)O1 ZINC000505741282 914418476 /nfs/dbraw/zinc/41/84/76/914418476.db2.gz CHZVJTWGKAYPFW-AWEZNQCLSA-N 0 0 414.302 4.186 20 5 HIBDRN CC(C)NS(=O)(=O)c1cccc(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)c1 ZINC000484797748 900202980 /nfs/dbraw/zinc/20/29/80/900202980.db2.gz XXEMAMIYEYGBKW-UHFFFAOYSA-N 0 0 421.519 4.071 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)Nc3cc(C)cn(C)c3=O)cc2[N+](=O)[O-])cc1 ZINC000484836050 900238287 /nfs/dbraw/zinc/23/82/87/900238287.db2.gz PNDVKXVZWANFDI-UHFFFAOYSA-N 0 0 409.467 4.314 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc(CCc3ccccc3C)[nH]n2)c([N+](=O)[O-])cc1OC ZINC000484849185 900243621 /nfs/dbraw/zinc/24/36/21/900243621.db2.gz MLDORURAOHPDAN-UHFFFAOYSA-N 0 0 424.457 4.071 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1SC ZINC000484849421 900243637 /nfs/dbraw/zinc/24/36/37/900243637.db2.gz OZNGCVGLLQHDLY-AWEZNQCLSA-N 0 0 420.462 4.497 20 5 HIBDRN CCc1cc(C)cc(CC)c1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000484875516 900263068 /nfs/dbraw/zinc/26/30/68/900263068.db2.gz OPAMLYSSVPUUOP-UHFFFAOYSA-N 0 0 420.469 4.135 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000484889088 900273383 /nfs/dbraw/zinc/27/33/83/900273383.db2.gz UIDUHKCFYGJIGJ-UHFFFAOYSA-N 0 0 405.401 4.271 20 5 HIBDRN CNC(=O)c1cc(Oc2cccc(Oc3ccc(C(C)=O)cc3[N+](=O)[O-])c2C)ccn1 ZINC000484909829 900287074 /nfs/dbraw/zinc/28/70/74/900287074.db2.gz AGMCNBYKWZSUAZ-UHFFFAOYSA-N 0 0 421.409 4.445 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000484926638 900298321 /nfs/dbraw/zinc/29/83/21/900298321.db2.gz QQYZYUWJWSTFSB-UHFFFAOYSA-N 0 0 411.421 4.045 20 5 HIBDRN Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000484947545 900315674 /nfs/dbraw/zinc/31/56/74/900315674.db2.gz PTGQVBCZGZONMM-UHFFFAOYSA-N 0 0 410.817 4.196 20 5 HIBDRN Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000484954214 900320543 /nfs/dbraw/zinc/32/05/43/900320543.db2.gz OOIZXDNLVNPWNZ-UHFFFAOYSA-N 0 0 404.426 4.159 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc(Cl)c(Cl)cc2OC)cc1[N+](=O)[O-] ZINC000485022755 900368543 /nfs/dbraw/zinc/36/85/43/900368543.db2.gz DXGSOGAGYUNVFQ-UHFFFAOYSA-N 0 0 400.218 4.241 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)c2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000485048734 900380967 /nfs/dbraw/zinc/38/09/67/900380967.db2.gz JPGBVMVICIIKEU-UHFFFAOYSA-N 0 0 424.784 4.280 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(Nc3cnn(-c4cccc(C(F)(F)F)c4)c3)cc2N1 ZINC000505774066 914442037 /nfs/dbraw/zinc/44/20/37/914442037.db2.gz QMYFMQNRZZDNND-UHFFFAOYSA-N 0 0 417.347 4.428 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000485232156 900518529 /nfs/dbraw/zinc/51/85/29/900518529.db2.gz PPXKBYHLCUDCJQ-NSHDSACASA-N 0 0 416.268 4.481 20 5 HIBDRN CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(Br)cc2[N+](=O)[O-])c1C ZINC000485262024 900546488 /nfs/dbraw/zinc/54/64/88/900546488.db2.gz AMYADEFVICRXDX-UHFFFAOYSA-N 0 0 411.277 4.480 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000485266991 900548852 /nfs/dbraw/zinc/54/88/52/900548852.db2.gz OXFROZAGSLKOGF-UHFFFAOYSA-N 0 0 424.276 4.047 20 5 HIBDRN C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)NCc1ccc(F)cc1 ZINC000485268465 900550139 /nfs/dbraw/zinc/55/01/39/900550139.db2.gz HJKJYRSMIZCTBV-JTQLQIEISA-N 0 0 413.268 4.293 20 5 HIBDRN Cc1cccc(C)c1-n1nnnc1CSc1ccc(Br)cc1[N+](=O)[O-] ZINC000485277374 900555342 /nfs/dbraw/zinc/55/53/42/900555342.db2.gz VVFPLJUGZWGRRM-UHFFFAOYSA-N 0 0 420.292 4.242 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)Nc3c[nH]c(=O)cc3C)cc2[N+](=O)[O-])n1 ZINC000485282249 900559122 /nfs/dbraw/zinc/55/91/22/900559122.db2.gz FHKFUBPEOWCBLH-UHFFFAOYSA-N 0 0 402.457 4.172 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(Cl)c1F ZINC000485282428 900559383 /nfs/dbraw/zinc/55/93/83/900559383.db2.gz DDMAABXZZLSPRC-UHFFFAOYSA-N 0 0 421.812 4.370 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC ZINC000485289278 900566419 /nfs/dbraw/zinc/56/64/19/900566419.db2.gz QDURCIYYQWFZDS-NSHDSACASA-N 0 0 410.373 4.013 20 5 HIBDRN COc1cc(CS(=O)(=O)[C@H](C)c2cc([N+](=O)[O-])ccc2C)ccc1OC(F)F ZINC000485313441 900591932 /nfs/dbraw/zinc/59/19/32/900591932.db2.gz DKJNYVKXPPHNSX-GFCCVEGCSA-N 0 0 415.414 4.189 20 5 HIBDRN CCN(Cc1nc2ccccc2c(=O)[nH]1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485398032 900695923 /nfs/dbraw/zinc/69/59/23/900695923.db2.gz FJTFJQDHQBQCCC-UHFFFAOYSA-N 0 0 419.416 4.471 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(c3nnc4ccccn43)CC2)nc1-c1ccc(F)cc1 ZINC000485399652 900697391 /nfs/dbraw/zinc/69/73/91/900697391.db2.gz BUKWALIHAQMKJQ-UHFFFAOYSA-N 0 0 418.432 4.223 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(Oc3ncccc3F)CC2)nc1-c1ccc(F)cc1 ZINC000485402560 900701052 /nfs/dbraw/zinc/70/10/52/900701052.db2.gz GUMXLEDKYZBGQA-UHFFFAOYSA-N 0 0 412.396 4.378 20 5 HIBDRN O=C(CC1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1)N1CCCC1 ZINC000485404058 900701982 /nfs/dbraw/zinc/70/19/82/900701982.db2.gz XCXVONQEBLRPGL-UHFFFAOYSA-N 0 0 412.465 4.025 20 5 HIBDRN O=C1C[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CN1Cc1ccccc1 ZINC000485408470 900706624 /nfs/dbraw/zinc/70/66/24/900706624.db2.gz GZHLHQSZZPSFOU-KRWDZBQOSA-N 0 0 420.444 4.257 20 5 HIBDRN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000485483952 900776304 /nfs/dbraw/zinc/77/63/04/900776304.db2.gz YRVZTRGRWOFZEU-FZMZJTMJSA-N 0 0 414.409 4.121 20 5 HIBDRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000485494421 900784179 /nfs/dbraw/zinc/78/41/79/900784179.db2.gz SCHKQHHFCSEPJB-UHFFFAOYSA-N 0 0 402.350 4.413 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1[N+](=O)[O-] ZINC000485517527 900801284 /nfs/dbraw/zinc/80/12/84/900801284.db2.gz PQCVRGJEROZGNC-UHFFFAOYSA-N 0 0 411.483 4.258 20 5 HIBDRN NC(=O)c1ccc(CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000505826834 914482732 /nfs/dbraw/zinc/48/27/32/914482732.db2.gz SGICPGFFHZIWPF-AWEZNQCLSA-N 0 0 421.297 4.106 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC ZINC000485589980 900852433 /nfs/dbraw/zinc/85/24/33/900852433.db2.gz HTSNVGKRQVHSLP-OAHLLOKOSA-N 0 0 413.474 4.356 20 5 HIBDRN COc1cc(CSCc2nc(Cc3cccc(F)c3)no2)c([N+](=O)[O-])cc1F ZINC000485590899 900853464 /nfs/dbraw/zinc/85/34/64/900853464.db2.gz DVVDSWCFNLZWSB-UHFFFAOYSA-N 0 0 407.398 4.289 20 5 HIBDRN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000485592197 900854818 /nfs/dbraw/zinc/85/48/18/900854818.db2.gz UTMPJHDIZACMQP-GFCCVEGCSA-N 0 0 404.291 4.272 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(C)cc(C)cc2C1 ZINC000485593491 900854890 /nfs/dbraw/zinc/85/48/90/900854890.db2.gz RZHLADMKJKTUEY-UHFFFAOYSA-N 0 0 400.500 4.149 20 5 HIBDRN CCOc1cc(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000485606919 900866219 /nfs/dbraw/zinc/86/62/19/900866219.db2.gz GKZREZGQEYKOGU-CQSZACIVSA-N 0 0 412.364 4.078 20 5 HIBDRN Cc1cccc(C2(CNC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CCCCC2)c1 ZINC000485624001 900878380 /nfs/dbraw/zinc/87/83/80/900878380.db2.gz HGNKKCFGBSYDOH-UHFFFAOYSA-N 0 0 419.485 4.116 20 5 HIBDRN COc1cc(OCC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000485625049 900879795 /nfs/dbraw/zinc/87/97/95/900879795.db2.gz ILXSENCSQYQYKR-VAMGGRTRSA-N 0 0 410.470 4.167 20 5 HIBDRN CC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000485644968 900896425 /nfs/dbraw/zinc/89/64/25/900896425.db2.gz UCNWPNNDOUPRTC-CQSZACIVSA-N 0 0 411.227 4.143 20 5 HIBDRN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc2ncsc2c1 ZINC000485648148 900900018 /nfs/dbraw/zinc/90/00/18/900900018.db2.gz DCUWGVJUHZEFJE-JTQLQIEISA-N 0 0 420.288 4.387 20 5 HIBDRN CC1(C)[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000485678549 900931547 /nfs/dbraw/zinc/93/15/47/900931547.db2.gz LAUQVWNIXRLRDB-IOMROCGXSA-N 0 0 410.470 4.107 20 5 HIBDRN CCO[C@H]1C[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C12CCC2 ZINC000485720254 900969087 /nfs/dbraw/zinc/96/90/87/900969087.db2.gz VVNDLYRRKGYHFZ-RTWAWAEBSA-N 0 0 410.470 4.251 20 5 HIBDRN CCOC(=O)CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccccc1F ZINC000485734506 900987305 /nfs/dbraw/zinc/98/73/05/900987305.db2.gz QACAGDMFVFXBGY-UHFFFAOYSA-N 0 0 423.400 4.006 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000485738103 900991758 /nfs/dbraw/zinc/99/17/58/900991758.db2.gz ZAAOGZZALFKGSX-NSHDSACASA-N 0 0 409.305 4.440 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000485743772 900998604 /nfs/dbraw/zinc/99/86/04/900998604.db2.gz MRPHRYJUDNYMKC-SFHVURJKSA-N 0 0 407.426 4.071 20 5 HIBDRN CCCCOc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cn1 ZINC000485745207 900999578 /nfs/dbraw/zinc/99/95/78/900999578.db2.gz YCINEDNKWRGEBR-UHFFFAOYSA-N 0 0 400.254 4.245 20 5 HIBDRN CC(=O)c1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c(C)nc1C ZINC000485746081 901001205 /nfs/dbraw/zinc/00/12/05/901001205.db2.gz IGPSFCOWPMNGBY-UHFFFAOYSA-N 0 0 409.364 4.014 20 5 HIBDRN CSc1cccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000485754943 901011684 /nfs/dbraw/zinc/01/16/84/901011684.db2.gz PIIABQUCENTSFY-UHFFFAOYSA-N 0 0 400.378 4.188 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2cccc(SC)c2[N+](=O)[O-])cc1OC(F)F ZINC000485756215 901013410 /nfs/dbraw/zinc/01/34/10/901013410.db2.gz PYGRBVYCANGKTD-UHFFFAOYSA-N 0 0 412.414 4.199 20 5 HIBDRN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485758040 901016203 /nfs/dbraw/zinc/01/62/03/901016203.db2.gz KRLFWYFTFMAJHS-NKWVEPMBSA-N 0 0 401.204 4.222 20 5 HIBDRN CSc1cccc(C(=O)N(C)Cc2ccc(Br)s2)c1[N+](=O)[O-] ZINC000485758336 901016267 /nfs/dbraw/zinc/01/62/67/901016267.db2.gz PLEQRTXARDEARB-UHFFFAOYSA-N 0 0 401.307 4.413 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CCC1=O ZINC000505851022 914497650 /nfs/dbraw/zinc/49/76/50/914497650.db2.gz KIHLVHBWXKJKHP-LBPRGKRZSA-N 0 0 404.875 4.451 20 5 HIBDRN CSc1cccc(C(=O)N(C)Cc2cc(Br)cs2)c1[N+](=O)[O-] ZINC000485760484 901017710 /nfs/dbraw/zinc/01/77/10/901017710.db2.gz RPNZHABJYQFYLA-UHFFFAOYSA-N 0 0 401.307 4.413 20 5 HIBDRN COCCn1cc2c(n1)[C@@H](Nc1ccc(C(=O)c3ccccc3)cc1[N+](=O)[O-])CCC2 ZINC000505852132 914499982 /nfs/dbraw/zinc/49/99/82/914499982.db2.gz RSNWCRABGZZOJF-FQEVSTJZSA-N 0 0 420.469 4.158 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCc3c(C)cc(C)cc3C2)cc1[N+](=O)[O-] ZINC000485771373 901027227 /nfs/dbraw/zinc/02/72/27/901027227.db2.gz AOGBQHKOONKPDY-UHFFFAOYSA-N 0 0 400.500 4.038 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N(c3ccccc3)[C@H]3CCOC3)cc2[N+](=O)[O-])C1 ZINC000485806420 901056695 /nfs/dbraw/zinc/05/66/95/901056695.db2.gz PJPPYRZMFWWJST-XLIONFOSSA-N 0 0 409.486 4.267 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1ccccc1N1CCCC1 ZINC000485824272 901070883 /nfs/dbraw/zinc/07/08/83/901070883.db2.gz WQNPZHPUEWAUHX-INIZCTEOSA-N 0 0 407.474 4.438 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1OC)c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000485827886 901075134 /nfs/dbraw/zinc/07/51/34/901075134.db2.gz GERXMEUSHZGQOA-UHFFFAOYSA-N 0 0 401.463 4.246 20 5 HIBDRN Cc1cnc([C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C2CC2)s1 ZINC000485887853 901120705 /nfs/dbraw/zinc/12/07/05/901120705.db2.gz IWWJGBSQDXQIAN-JTQLQIEISA-N 0 0 402.295 4.065 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000485918361 901143655 /nfs/dbraw/zinc/14/36/55/901143655.db2.gz IJCWSTDDKZKYGY-UHFFFAOYSA-N 0 0 417.487 4.302 20 5 HIBDRN Cc1ccc(-c2nc(CNC(=O)c3sc(Br)cc3[N+](=O)[O-])co2)cc1 ZINC000485925062 901150185 /nfs/dbraw/zinc/15/01/85/901150185.db2.gz URRPXSDTOIUOHC-UHFFFAOYSA-N 0 0 422.260 4.312 20 5 HIBDRN COC(=O)c1cc(NC(=O)CCc2cccc(C(F)(F)F)c2)c(C)c([N+](=O)[O-])c1 ZINC000485937598 901159301 /nfs/dbraw/zinc/15/93/01/901159301.db2.gz DPHIXSQPNWHFNB-UHFFFAOYSA-N 0 0 410.348 4.280 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(c2nccs2)CC1 ZINC000485946274 901167869 /nfs/dbraw/zinc/16/78/69/901167869.db2.gz URDQXVUCQLXUTM-UHFFFAOYSA-N 0 0 420.560 4.152 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000485965046 901180539 /nfs/dbraw/zinc/18/05/39/901180539.db2.gz HCPAWACXFNOGFH-CYBMUJFWSA-N 0 0 413.499 4.329 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(C)sc2Br)c(C)c([N+](=O)[O-])c1 ZINC000485964957 901180771 /nfs/dbraw/zinc/18/07/71/901180771.db2.gz LPPTYSMSDGIRNU-UHFFFAOYSA-N 0 0 413.249 4.075 20 5 HIBDRN CCS[C@H](C)c1noc(CN(C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000485979776 901198586 /nfs/dbraw/zinc/19/85/86/901198586.db2.gz PCLARGBCTPXUHG-VXGBXAGGSA-N 0 0 418.479 4.035 20 5 HIBDRN Cc1nccn1C[C@@H]1CCCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000485983628 901201858 /nfs/dbraw/zinc/20/18/58/901201858.db2.gz RLKBLNKQHSMJSH-AWEZNQCLSA-N 0 0 416.279 4.079 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2csc(-c3cccs3)n2)c(C)c([N+](=O)[O-])c1 ZINC000485994237 901211525 /nfs/dbraw/zinc/21/15/25/901211525.db2.gz ZBXHMBXSPXFERQ-UHFFFAOYSA-N 0 0 403.441 4.127 20 5 HIBDRN COc1ccccc1C(C)(C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000486019923 901227671 /nfs/dbraw/zinc/22/76/71/901227671.db2.gz WNUMLVZQMFYVSP-UHFFFAOYSA-N 0 0 400.478 4.215 20 5 HIBDRN O=c1c(Cl)c(/C=C\c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cn12 ZINC000486028074 901233186 /nfs/dbraw/zinc/23/31/86/901233186.db2.gz JJSDIZSJNADTBW-XQRVVYSFSA-N 0 0 406.623 4.189 20 5 HIBDRN O=C(c1cccc(OCc2cscn2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486067009 901261143 /nfs/dbraw/zinc/26/11/43/901261143.db2.gz FYJVQTURUJXZID-UHFFFAOYSA-N 0 0 409.467 4.435 20 5 HIBDRN C[C@H](Oc1ccccc1Br)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486070539 901263832 /nfs/dbraw/zinc/26/38/32/901263832.db2.gz ORUJLHFWYURRIZ-ZDUSSCGKSA-N 0 0 419.275 4.316 20 5 HIBDRN O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486096299 901284534 /nfs/dbraw/zinc/28/45/34/901284534.db2.gz WLORVFLOYOSDNV-JTQLQIEISA-N 0 0 403.298 4.031 20 5 HIBDRN O=C(NCc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)C1CCCC1 ZINC000486098928 901287703 /nfs/dbraw/zinc/28/77/03/901287703.db2.gz VQWVWMANMHGOLJ-UHFFFAOYSA-N 0 0 421.497 4.206 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486118584 901305111 /nfs/dbraw/zinc/30/51/11/901305111.db2.gz TYUPHSDGPJBCQS-DGCLKSJQSA-N 0 0 411.277 4.069 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Br)c(C)cc1C ZINC000486124925 901312571 /nfs/dbraw/zinc/31/25/71/901312571.db2.gz GQBYGPNSCJFJEY-UHFFFAOYSA-N 0 0 408.252 4.033 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCSC[C@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000486150760 901338809 /nfs/dbraw/zinc/33/88/09/901338809.db2.gz IOJBHEJUIQIWSK-CQSZACIVSA-N 0 0 411.524 4.389 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000486150746 901338959 /nfs/dbraw/zinc/33/89/59/901338959.db2.gz IIOAUNONCWQPSQ-MRVPVSSYSA-N 0 0 407.245 4.139 20 5 HIBDRN C[C@]1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000486159972 901347650 /nfs/dbraw/zinc/34/76/50/901347650.db2.gz UKSSJVKGJHLGEU-FYYLOGMGSA-N 0 0 410.470 4.109 20 5 HIBDRN O=C(NCC1CCOCC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000486168048 901354566 /nfs/dbraw/zinc/35/45/66/901354566.db2.gz UYYIYSZTQPUJNQ-UHFFFAOYSA-N 0 0 403.866 4.017 20 5 HIBDRN O=C(NC1CCSCC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000486167532 901354750 /nfs/dbraw/zinc/35/47/50/901354750.db2.gz SSAFMCZIYMSCNS-UHFFFAOYSA-N 0 0 405.907 4.486 20 5 HIBDRN C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000486179717 901365486 /nfs/dbraw/zinc/36/54/86/901365486.db2.gz XTRIDMOIKFLKSC-TVLCNXBWSA-N 0 0 411.277 4.102 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000486206243 901390736 /nfs/dbraw/zinc/39/07/36/901390736.db2.gz VFFPXGNMCXHOKW-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN CSc1cccc(C(=O)N2CCC(CN3CCc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000486207868 901391537 /nfs/dbraw/zinc/39/15/37/901391537.db2.gz WGZMAVMSGUIIQP-UHFFFAOYSA-N 0 0 411.527 4.232 20 5 HIBDRN COc1ccc(C[C@H]2CCCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])C2)cc1 ZINC000486219444 901401777 /nfs/dbraw/zinc/40/17/77/901401777.db2.gz FOAKVKTYMJMEEG-MRXNPFEDSA-N 0 0 400.500 4.420 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000486224761 901408353 /nfs/dbraw/zinc/40/83/53/901408353.db2.gz TYNJHLTWLYUPJX-WDEREUQCSA-N 0 0 413.400 4.092 20 5 HIBDRN CCCc1nc(C)c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000486327230 901503157 /nfs/dbraw/zinc/50/31/57/901503157.db2.gz YYOIIKPIRIWXPH-UHFFFAOYSA-N 0 0 404.492 4.388 20 5 HIBDRN CNC(=O)Nc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000486348127 901520210 /nfs/dbraw/zinc/52/02/10/901520210.db2.gz WEYKHUPENQRDNA-UHFFFAOYSA-N 0 0 420.425 4.177 20 5 HIBDRN COC(=O)c1c(C)c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)ccc1Br ZINC000486357668 901527171 /nfs/dbraw/zinc/52/71/71/901527171.db2.gz LYFAFGMVPLZIOO-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 ZINC000486378868 901544405 /nfs/dbraw/zinc/54/44/05/901544405.db2.gz RIIIRLVVKBPVLU-UHFFFAOYSA-N 0 0 405.410 4.385 20 5 HIBDRN Cc1cn2c(n1)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)CCC2 ZINC000505903671 914546182 /nfs/dbraw/zinc/54/61/82/914546182.db2.gz JOYORZXTEZBLIT-INIZCTEOSA-N 0 0 406.442 4.199 20 5 HIBDRN CSc1cnn(-c2ccccc2)c1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486416660 901574917 /nfs/dbraw/zinc/57/49/17/901574917.db2.gz FMAOSHLMUFZEFJ-UHFFFAOYSA-N 0 0 400.485 4.477 20 5 HIBDRN CSc1cccc(C(=O)NC2(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000486425465 901583780 /nfs/dbraw/zinc/58/37/80/901583780.db2.gz QSEXZSMRMZOMBD-UHFFFAOYSA-N 0 0 407.289 4.498 20 5 HIBDRN CN(C(=O)[C@@H]1CCCN1c1ccccc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000486469300 901629889 /nfs/dbraw/zinc/62/98/89/901629889.db2.gz NZFJZFYKKWMQRY-IBGZPJMESA-N 0 0 408.483 4.350 20 5 HIBDRN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000486512276 901663488 /nfs/dbraw/zinc/66/34/88/901663488.db2.gz YMKOXZNHESRMAZ-AWEZNQCLSA-N 0 0 414.462 4.154 20 5 HIBDRN CSc1cccc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000486561353 901707112 /nfs/dbraw/zinc/70/71/12/901707112.db2.gz VUBYNTIDIVNBDF-DOTOQJQBSA-N 0 0 404.463 4.448 20 5 HIBDRN O=C(Nc1ccc2c(c1)C(=O)NC2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000486565149 901711156 /nfs/dbraw/zinc/71/11/56/901711156.db2.gz VJMOHPVFUALQLF-UHFFFAOYSA-N 0 0 405.435 4.242 20 5 HIBDRN O=C(CC(c1ccccc1)c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000486590061 901730182 /nfs/dbraw/zinc/73/01/82/901730182.db2.gz NQXZIHRJOQEGHX-UHFFFAOYSA-N 0 0 404.470 4.177 20 5 HIBDRN CN(CCc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000486686551 901795489 /nfs/dbraw/zinc/79/54/89/901795489.db2.gz SHDRVFSUIHXQKK-UHFFFAOYSA-N 0 0 422.812 4.130 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccn(Cc2ccccc2)c1 ZINC000486691579 901797593 /nfs/dbraw/zinc/79/75/93/901797593.db2.gz RKGIKMWHBUMEJB-UHFFFAOYSA-N 0 0 403.360 4.393 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000486708630 901805670 /nfs/dbraw/zinc/80/56/70/901805670.db2.gz JNJZQBCUPAXKCQ-STQMWFEESA-N 0 0 418.293 4.451 20 5 HIBDRN CSc1cccc(C(=O)NCc2nccn2CCCc2ccccc2)c1[N+](=O)[O-] ZINC000486713250 901809093 /nfs/dbraw/zinc/80/90/93/901809093.db2.gz AXBLQORXFXBYTD-UHFFFAOYSA-N 0 0 410.499 4.076 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc([C@@H]2CCCOC2)c1 ZINC000486716913 901810512 /nfs/dbraw/zinc/81/05/12/901810512.db2.gz LVEBZICUOBZHGJ-MRXNPFEDSA-N 0 0 408.376 4.438 20 5 HIBDRN O=C(NCCCNc1ccccn1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000486737886 901821686 /nfs/dbraw/zinc/82/16/86/901821686.db2.gz BBLQGLKHTIRCLG-UHFFFAOYSA-N 0 0 408.483 4.373 20 5 HIBDRN O=C(COc1ccc(C(F)(F)F)cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486739902 901823284 /nfs/dbraw/zinc/82/32/84/901823284.db2.gz UBOKBXPZMCWZCV-UHFFFAOYSA-N 0 0 422.281 4.328 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000486770632 901843320 /nfs/dbraw/zinc/84/33/20/901843320.db2.gz JHGSEFOARFYNDA-CQSZACIVSA-N 0 0 419.279 4.066 20 5 HIBDRN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000486801462 901862874 /nfs/dbraw/zinc/86/28/74/901862874.db2.gz DDUJBAOWMSGWDL-UHFFFAOYSA-N 0 0 414.425 4.244 20 5 HIBDRN Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000486840317 901889082 /nfs/dbraw/zinc/88/90/82/901889082.db2.gz CDDDBMMXJQGJFC-UHFFFAOYSA-N 0 0 419.393 4.137 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCC3CCC3)cc2)cc1[N+](=O)[O-] ZINC000486844410 901891410 /nfs/dbraw/zinc/89/14/10/901891410.db2.gz KHGWBINFSGCVKN-UHFFFAOYSA-N 0 0 417.487 4.223 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486878815 901925741 /nfs/dbraw/zinc/92/57/41/901925741.db2.gz HIMOFOOVYFGXTB-LLVKDONJSA-N 0 0 419.384 4.119 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC(C)(c3ccccc3)CC2)c(C)c([N+](=O)[O-])c1 ZINC000486885553 901931600 /nfs/dbraw/zinc/93/16/00/901931600.db2.gz VHASWWAGGATONX-UHFFFAOYSA-N 0 0 411.458 4.275 20 5 HIBDRN COC(=O)c1cc(NC(=O)NCc2ccc(-c3ccncc3)cc2)c(C)c([N+](=O)[O-])c1 ZINC000486893053 901936049 /nfs/dbraw/zinc/93/60/49/901936049.db2.gz JYAXHVJFSKQTIJ-UHFFFAOYSA-N 0 0 420.425 4.074 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c(C)c([N+](=O)[O-])c1 ZINC000486893436 901936279 /nfs/dbraw/zinc/93/62/79/901936279.db2.gz KCQYLWYSSOSSSP-QGZVFWFLSA-N 0 0 401.394 4.198 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@@]2(C)Cc2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000486894839 901938050 /nfs/dbraw/zinc/93/80/50/901938050.db2.gz GEUSKFPTMAPKQW-QFIPXVFZSA-N 0 0 411.458 4.319 20 5 HIBDRN O=C(c1ccc(N2CCC[C@@H]2CCCc2ccccc2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000486902156 901946746 /nfs/dbraw/zinc/94/67/46/901946746.db2.gz VTMBZAFMZGLBGI-NRFANRHFSA-N 0 0 423.513 4.059 20 5 HIBDRN Cc1ccc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1[N+](=O)[O-] ZINC000486918425 901962330 /nfs/dbraw/zinc/96/23/30/901962330.db2.gz AAXVMGPYLRWBIT-UHFFFAOYSA-N 0 0 408.376 4.358 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(Nc3cnn(-c4ncc(Cl)cc4Cl)c3)cc2N1 ZINC000486918467 901962454 /nfs/dbraw/zinc/96/24/54/901962454.db2.gz AJSLWZYVBDDKJD-UHFFFAOYSA-N 0 0 419.228 4.111 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1 ZINC000486917731 901962577 /nfs/dbraw/zinc/96/25/77/901962577.db2.gz ZBHVACRHWFIBKI-UHFFFAOYSA-N 0 0 417.425 4.118 20 5 HIBDRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)Cc4c(F)cc([N+](=O)[O-])cc4F)C3)nc2c1 ZINC000486931630 901973941 /nfs/dbraw/zinc/97/39/41/901973941.db2.gz FREJLHPXNORYJC-CYBMUJFWSA-N 0 0 414.412 4.006 20 5 HIBDRN CSc1cccc(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000486955436 901987950 /nfs/dbraw/zinc/98/79/50/901987950.db2.gz KTSPEEOBHPPVRG-UHFFFAOYSA-N 0 0 415.298 4.258 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(NCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 ZINC000486969140 901995355 /nfs/dbraw/zinc/99/53/55/901995355.db2.gz POPYEPUDWZHWFD-UHFFFAOYSA-N 0 0 412.793 4.003 20 5 HIBDRN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000487135979 902069381 /nfs/dbraw/zinc/06/93/81/902069381.db2.gz JEFSFIZATKTJSJ-SNVBAGLBSA-N 0 0 406.357 4.101 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@@H](CC)c2ccccc2OCC)cc([N+](=O)[O-])c1 ZINC000505939068 914590602 /nfs/dbraw/zinc/59/06/02/914590602.db2.gz QAWQDQSSBUSPNR-SFHVURJKSA-N 0 0 400.431 4.051 20 5 HIBDRN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487495884 902226433 /nfs/dbraw/zinc/22/64/33/902226433.db2.gz BYYDSVIINFYNDH-UHFFFAOYSA-N 0 0 424.310 4.127 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)ccc1[N+](=O)[O-] ZINC000487536451 902241429 /nfs/dbraw/zinc/24/14/29/902241429.db2.gz LXUDUOLBGOPEMA-UHFFFAOYSA-N 0 0 421.438 4.165 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000487649147 902272678 /nfs/dbraw/zinc/27/26/78/902272678.db2.gz NUSJRGXVCFPPJQ-UHFFFAOYSA-N 0 0 403.435 4.225 20 5 HIBDRN CC(=O)Nc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2s1 ZINC000487685739 902291994 /nfs/dbraw/zinc/29/19/94/902291994.db2.gz FPUHFNXJABRYNP-UHFFFAOYSA-N 0 0 422.369 4.017 20 5 HIBDRN CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000487686483 902292404 /nfs/dbraw/zinc/29/24/04/902292404.db2.gz JJUISAGEYDHZAM-HXUWFJFHSA-N 0 0 412.396 4.102 20 5 HIBDRN O=C(NCCCc1nc2c(s1)CCCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000487723054 902318403 /nfs/dbraw/zinc/31/84/03/902318403.db2.gz FJMHLPJZBQWHBS-UHFFFAOYSA-N 0 0 414.531 4.237 20 5 HIBDRN O=C(NCc1nc2cc(Cl)ccc2s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487731552 902326366 /nfs/dbraw/zinc/32/63/66/902326366.db2.gz ZEPLGKSXXALIHS-UHFFFAOYSA-N 0 0 413.789 4.389 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2ncccc2F)CC1 ZINC000487737990 902330163 /nfs/dbraw/zinc/33/01/63/902330163.db2.gz GBARBEBFEBLOMN-UHFFFAOYSA-N 0 0 419.478 4.315 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000487843561 902402003 /nfs/dbraw/zinc/40/20/03/902402003.db2.gz XCTXBLJDEIVQKD-UHFFFAOYSA-N 0 0 423.448 4.102 20 5 HIBDRN COc1ccccc1NC(=O)C1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487911944 902445766 /nfs/dbraw/zinc/44/57/66/902445766.db2.gz QEFRPXAFZNMFES-UHFFFAOYSA-N 0 0 406.442 4.007 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000487946868 902476230 /nfs/dbraw/zinc/47/62/30/902476230.db2.gz OEZXAIJRHDMYNP-SCLBCKFNSA-N 0 0 404.463 4.448 20 5 HIBDRN CC(C)(NC(=O)NCCc1ccc(Br)s1)c1ccccc1[N+](=O)[O-] ZINC000487973262 902498516 /nfs/dbraw/zinc/49/85/16/902498516.db2.gz OKCKENZKGOJGMI-UHFFFAOYSA-N 0 0 412.309 4.196 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Cn2c3ccccc3nc2-c2cscn2)cc1[N+](=O)[O-] ZINC000487984565 902507768 /nfs/dbraw/zinc/50/77/68/902507768.db2.gz ZHGYBELTICJQIX-AWEZNQCLSA-N 0 0 421.482 4.254 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000487999268 902521801 /nfs/dbraw/zinc/52/18/01/902521801.db2.gz LSTZILFNWNCRHQ-QWHCGFSZSA-N 0 0 407.264 4.310 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488029539 902548172 /nfs/dbraw/zinc/54/81/72/902548172.db2.gz FTQYOZXKWGFGAX-KPZWWZAWSA-N 0 0 409.845 4.005 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1[N+](=O)[O-] ZINC000488045613 902561589 /nfs/dbraw/zinc/56/15/89/902561589.db2.gz DIKHFBJVCAVWQM-HNNXBMFYSA-N 0 0 423.425 4.005 20 5 HIBDRN COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488046336 902562087 /nfs/dbraw/zinc/56/20/87/902562087.db2.gz TZSQBLWWVQTVMP-OAHLLOKOSA-N 0 0 414.458 4.151 20 5 HIBDRN O=[N+]([O-])c1cnc2ccccc2c1N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000488061728 902574671 /nfs/dbraw/zinc/57/46/71/902574671.db2.gz COFFRWNPXCBYFV-SFHVURJKSA-N 0 0 414.259 4.483 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1[N+](=O)[O-] ZINC000488064054 902576623 /nfs/dbraw/zinc/57/66/23/902576623.db2.gz ASUZFHNSPGCEMM-HNNXBMFYSA-N 0 0 402.878 4.482 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1[N+](=O)[O-] ZINC000488080646 902587029 /nfs/dbraw/zinc/58/70/29/902587029.db2.gz WQNNIJFZOMPHAS-AWEZNQCLSA-N 0 0 408.433 4.208 20 5 HIBDRN CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000488088140 902593193 /nfs/dbraw/zinc/59/31/93/902593193.db2.gz NBXQFSHNBXWGRQ-CYBMUJFWSA-N 0 0 423.391 4.470 20 5 HIBDRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000488090166 902594800 /nfs/dbraw/zinc/59/48/00/902594800.db2.gz KNGMJTIVCWZOBO-HOTGVXAUSA-N 0 0 415.515 4.149 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)cc1 ZINC000488091892 902596898 /nfs/dbraw/zinc/59/68/98/902596898.db2.gz QOXPOWFXFQYYKZ-KRWDZBQOSA-N 0 0 419.485 4.490 20 5 HIBDRN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000488091950 902596948 /nfs/dbraw/zinc/59/69/48/902596948.db2.gz VZILYURZZBKRFK-ZDUSSCGKSA-N 0 0 423.391 4.470 20 5 HIBDRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000488238053 902713855 /nfs/dbraw/zinc/71/38/55/902713855.db2.gz MFODEVANJCNEQY-KRWDZBQOSA-N 0 0 419.890 4.019 20 5 HIBDRN O=C(Nc1ccccc1CN1CCc2ccccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000488242002 902716817 /nfs/dbraw/zinc/71/68/17/902716817.db2.gz ZUKJFUDOFGJMTQ-UHFFFAOYSA-N 0 0 413.437 4.286 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(NC(C)=O)ccc1Cl ZINC000488283555 902746727 /nfs/dbraw/zinc/74/67/27/902746727.db2.gz VDYGGLUYIADQML-UHFFFAOYSA-N 0 0 423.878 4.197 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccco1)Cc1ccco1 ZINC000488403716 902810410 /nfs/dbraw/zinc/81/04/10/902810410.db2.gz NEKHQDGQLRDVGK-UHFFFAOYSA-N 0 0 403.822 4.389 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2Cl)C1 ZINC000488404721 902811987 /nfs/dbraw/zinc/81/19/87/902811987.db2.gz QNIHOTHXBQRRRL-SFHVURJKSA-N 0 0 424.284 4.227 20 5 HIBDRN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488409782 902813725 /nfs/dbraw/zinc/81/37/25/902813725.db2.gz HWTIIVZORNPVEN-INIZCTEOSA-N 0 0 418.356 4.176 20 5 HIBDRN O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000488440076 902827750 /nfs/dbraw/zinc/82/77/50/902827750.db2.gz IVUFIGCUUYFKAA-UHFFFAOYSA-N 0 0 408.380 4.166 20 5 HIBDRN Cc1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OCCC(C)C ZINC000488502703 902858861 /nfs/dbraw/zinc/85/88/61/902858861.db2.gz NCJDRDOCAURJRZ-UHFFFAOYSA-N 0 0 415.494 4.394 20 5 HIBDRN COc1cc(Br)ccc1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488548092 902878071 /nfs/dbraw/zinc/87/80/71/902878071.db2.gz TYFGMBDPMMMQTB-LBPRGKRZSA-N 0 0 422.279 4.235 20 5 HIBDRN CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC)c1 ZINC000488660638 902923835 /nfs/dbraw/zinc/92/38/35/902923835.db2.gz PSSNGMJMBUBSLS-UHFFFAOYSA-N 0 0 402.476 4.409 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCOC[C@H](C2CCC2)C1 ZINC000488728844 902968532 /nfs/dbraw/zinc/96/85/32/902968532.db2.gz IEJIHMOFSCZBAB-CYBMUJFWSA-N 0 0 406.280 4.158 20 5 HIBDRN C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000488781076 902995640 /nfs/dbraw/zinc/99/56/40/902995640.db2.gz ISWKXBKPPDVOKW-KRWDZBQOSA-N 0 0 412.204 4.008 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)N1CCCCC1 ZINC000488878791 903055980 /nfs/dbraw/zinc/05/59/80/903055980.db2.gz JGAWSGHEOBCHFD-UHFFFAOYSA-N 0 0 401.850 4.435 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488938782 903086880 /nfs/dbraw/zinc/08/68/80/903086880.db2.gz LADARGORFGLEAS-UHFFFAOYSA-N 0 0 420.384 4.352 20 5 HIBDRN O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000488942589 903091433 /nfs/dbraw/zinc/09/14/33/903091433.db2.gz MZBOZMYTAUCNGN-CYBMUJFWSA-N 0 0 416.396 4.148 20 5 HIBDRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000488995665 903110535 /nfs/dbraw/zinc/11/05/35/903110535.db2.gz ZWYPEBUFDKRSKH-SNVBAGLBSA-N 0 0 418.318 4.490 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N(C)CCOc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000506013076 914687542 /nfs/dbraw/zinc/68/75/42/914687542.db2.gz UVSATVKDKNKYGR-KRWDZBQOSA-N 0 0 420.469 4.314 20 5 HIBDRN COc1ccccc1CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000489028653 903134358 /nfs/dbraw/zinc/13/43/58/903134358.db2.gz URRMFCFVWKDPHD-UHFFFAOYSA-N 0 0 420.412 4.300 20 5 HIBDRN CC[C@@H](C)[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000489038586 903143159 /nfs/dbraw/zinc/14/31/59/903143159.db2.gz HZFYBSDVVZZUSS-PELKAZGASA-N 0 0 401.307 4.390 20 5 HIBDRN O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489045655 903150666 /nfs/dbraw/zinc/15/06/66/903150666.db2.gz RCRPNOFHRXTZTE-OAHLLOKOSA-N 0 0 401.488 4.330 20 5 HIBDRN CC(C)(NC(=O)NCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1[N+](=O)[O-] ZINC000489067747 903171906 /nfs/dbraw/zinc/17/19/06/903171906.db2.gz GRJYGRNNCZDHOB-UHFFFAOYSA-N 0 0 415.837 4.033 20 5 HIBDRN C[C@H](C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc([N+](=O)[O-])cc1F ZINC000506018816 914695525 /nfs/dbraw/zinc/69/55/25/914695525.db2.gz BGFSZMOITLUWGA-NSHDSACASA-N 0 0 411.355 4.354 20 5 HIBDRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000489122489 903213625 /nfs/dbraw/zinc/21/36/25/903213625.db2.gz NSMSRSRPJSAHAW-ZDUSSCGKSA-N 0 0 403.504 4.461 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]1CCCc1ccccc1 ZINC000489169251 903241598 /nfs/dbraw/zinc/24/15/98/903241598.db2.gz HDGFWJGMLVZALE-LJQANCHMSA-N 0 0 404.470 4.408 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC000489193507 903253425 /nfs/dbraw/zinc/25/34/25/903253425.db2.gz FJPLYFCKLBVMEB-UHFFFAOYSA-N 0 0 404.492 4.356 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000489201239 903258864 /nfs/dbraw/zinc/25/88/64/903258864.db2.gz MEMIGMZRKFPPAU-UHFFFAOYSA-N 0 0 400.341 4.382 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2cc(Br)ccc2F)cc1[N+](=O)[O-] ZINC000489277381 903302649 /nfs/dbraw/zinc/30/26/49/903302649.db2.gz MAMPOEAMSFMPNR-NSHDSACASA-N 0 0 410.243 4.365 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000489293894 903315117 /nfs/dbraw/zinc/31/51/17/903315117.db2.gz GLFLPQRYEUXERB-UHFFFAOYSA-N 0 0 405.336 4.009 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000489332948 903335873 /nfs/dbraw/zinc/33/58/73/903335873.db2.gz YWNLIKKCCDWSKC-UHFFFAOYSA-N 0 0 424.269 4.213 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000489375797 903351847 /nfs/dbraw/zinc/35/18/47/903351847.db2.gz VMPZOZYTQZPNMN-CYBMUJFWSA-N 0 0 419.865 4.278 20 5 HIBDRN CCn1c(SCC(=O)N(C)[C@H]2CCCC[C@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489397015 903365761 /nfs/dbraw/zinc/36/57/61/903365761.db2.gz AZDGMRQOPVUIPS-PBHICJAKSA-N 0 0 417.535 4.002 20 5 HIBDRN CSc1cccc(C(=O)N2CCc3c(ncn3-c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000489447821 903388669 /nfs/dbraw/zinc/38/86/69/903388669.db2.gz KXGOVJYCRMYMLI-UHFFFAOYSA-N 0 0 408.483 4.009 20 5 HIBDRN CCn1c(SCCOc2ccc(OC)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489462323 903398497 /nfs/dbraw/zinc/39/84/97/903398497.db2.gz XIAZOTREROMHDF-UHFFFAOYSA-N 0 0 400.460 4.053 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(CCc1cccc(F)c1)C1CCCC1 ZINC000489473014 903404013 /nfs/dbraw/zinc/40/40/13/903404013.db2.gz GNVUSBRVSNQDII-UHFFFAOYSA-N 0 0 400.406 4.090 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC(c2nc3ccccc3s2)C1 ZINC000489509538 903430520 /nfs/dbraw/zinc/43/05/20/903430520.db2.gz QZOJOCDLPXFPMR-UHFFFAOYSA-N 0 0 405.382 4.046 20 5 HIBDRN CC(C)(NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccccc1[N+](=O)[O-] ZINC000489595546 903486446 /nfs/dbraw/zinc/48/64/46/903486446.db2.gz ZJKRDUYMCRASSB-OAHLLOKOSA-N 0 0 402.882 4.061 20 5 HIBDRN Cn1cc(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489631134 903507873 /nfs/dbraw/zinc/50/78/73/903507873.db2.gz HJPAWCBPNIASGN-RBUKOAKNSA-N 0 0 404.470 4.452 20 5 HIBDRN CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(F)cc1 ZINC000489681202 903541226 /nfs/dbraw/zinc/54/12/26/903541226.db2.gz NTIBQUXHIQKLLZ-LBPRGKRZSA-N 0 0 415.450 4.132 20 5 HIBDRN O=C(NC[C@H]1CCC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000489681563 903541315 /nfs/dbraw/zinc/54/13/15/903541315.db2.gz VDHSTARNXWCVAD-WMLDXEAASA-N 0 0 417.893 4.141 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)c(C)c([N+](=O)[O-])c1 ZINC000489738098 903567562 /nfs/dbraw/zinc/56/75/62/903567562.db2.gz CAQQDLOYRGOWJJ-UHFFFAOYSA-N 0 0 422.441 4.251 20 5 HIBDRN COC(=O)c1cc(NC(=O)C(C)(C)c2ccc(Cl)cc2F)c(C)c([N+](=O)[O-])c1 ZINC000489761161 903586014 /nfs/dbraw/zinc/58/60/14/903586014.db2.gz RUUYFFFQYGAQAU-UHFFFAOYSA-N 0 0 408.813 4.399 20 5 HIBDRN COc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC(F)F ZINC000489841756 903623930 /nfs/dbraw/zinc/62/39/30/903623930.db2.gz QIKKDEFVOVSCKH-UHFFFAOYSA-N 0 0 421.400 4.079 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000489898130 903658083 /nfs/dbraw/zinc/65/80/83/903658083.db2.gz GTAVODYXPQNNKT-SWLSCSKDSA-N 0 0 420.453 4.432 20 5 HIBDRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489905032 903664924 /nfs/dbraw/zinc/66/49/24/903664924.db2.gz DVWYMXKMIBHWMO-QFYYESIMSA-N 0 0 414.792 4.356 20 5 HIBDRN COc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000489910509 903668687 /nfs/dbraw/zinc/66/86/87/903668687.db2.gz NBWYBLYVEJVPEW-KBPBESRZSA-N 0 0 417.462 4.050 20 5 HIBDRN CN1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000489914241 903670106 /nfs/dbraw/zinc/67/01/06/903670106.db2.gz ASEKAJKIWHXENO-IEBWSBKVSA-N 0 0 416.909 4.228 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cn2nc(C)nc2C)c1 ZINC000489928698 903681148 /nfs/dbraw/zinc/68/11/48/903681148.db2.gz HYRQOVYYHHKIEK-UHFFFAOYSA-N 0 0 411.487 4.216 20 5 HIBDRN COC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000489931480 903684923 /nfs/dbraw/zinc/68/49/23/903684923.db2.gz IDURXOJCKDPDCN-QGZVFWFLSA-N 0 0 402.516 4.330 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C)cc1O[C@H]1CCOC1 ZINC000489937130 903686681 /nfs/dbraw/zinc/68/66/81/903686681.db2.gz SNVIDLBPCOBBFT-KRWDZBQOSA-N 0 0 416.499 4.113 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000489954469 903696098 /nfs/dbraw/zinc/69/60/98/903696098.db2.gz FKNXCOFCZMKJIZ-FUHWJXTLSA-N 0 0 414.527 4.427 20 5 HIBDRN O=C(Nc1c(F)cc(Br)cc1F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000489959142 903697858 /nfs/dbraw/zinc/69/78/58/903697858.db2.gz SDVHLNLGBJNZJR-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000489966110 903701340 /nfs/dbraw/zinc/70/13/40/903701340.db2.gz NTYZZHOGLJHRBV-MSOLQXFVSA-N 0 0 421.501 4.393 20 5 HIBDRN CC[C@H](NC(=O)N1CCC(Nc2cccc(OC)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000489969039 903705127 /nfs/dbraw/zinc/70/51/27/903705127.db2.gz VLLMCCCFLXISDG-NRFANRHFSA-N 0 0 412.490 4.341 20 5 HIBDRN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000489982259 903711302 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HIBDRN CN(C)C(=O)c1cccc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000506051731 914751755 /nfs/dbraw/zinc/75/17/55/914751755.db2.gz NKDJUQLWBLTCQL-UHFFFAOYSA-N 0 0 403.438 4.140 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000490230686 903840377 /nfs/dbraw/zinc/84/03/77/903840377.db2.gz PGOQYCFDDOWHTH-AWEZNQCLSA-N 0 0 416.474 4.107 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490252060 903855476 /nfs/dbraw/zinc/85/54/76/903855476.db2.gz UHCCBLRKYHFJMA-WOJBJXKFSA-N 0 0 403.429 4.135 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(-c2ccc(Cl)s2)on1 ZINC000490368292 903961500 /nfs/dbraw/zinc/96/15/00/903961500.db2.gz OWABALSBJTZIKB-UHFFFAOYSA-N 0 0 416.806 4.002 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1 ZINC000490394036 903980127 /nfs/dbraw/zinc/98/01/27/903980127.db2.gz OADFFFHWEZZYGC-UHFFFAOYSA-N 0 0 412.471 4.213 20 5 HIBDRN 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CCIDPMMFTMCERG-UHFFFAOYSA-N 0 0 419.485 4.051 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000492938957 904959767 /nfs/dbraw/zinc/95/97/67/904959767.db2.gz WZWOMENKZQNVLD-QAPCUYQASA-N 0 0 413.449 4.408 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000492975068 904974100 /nfs/dbraw/zinc/97/41/00/904974100.db2.gz CWJKQJYQTLXKFU-MRXNPFEDSA-N 0 0 415.471 4.269 20 5 HIBDRN CC(C)(C(=O)NCCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cc1F ZINC000506243901 914859920 /nfs/dbraw/zinc/85/99/20/914859920.db2.gz PTSQJETULZNKPL-UHFFFAOYSA-N 0 0 401.413 4.381 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc2nc(C(F)F)sc2c1 ZINC000493056088 905004455 /nfs/dbraw/zinc/00/44/55/905004455.db2.gz KPRAAPWETZOYJL-UHFFFAOYSA-N 0 0 418.385 4.340 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1[N+](=O)[O-] ZINC000493239073 905063885 /nfs/dbraw/zinc/06/38/85/905063885.db2.gz REOWZEJYZNHFMH-OAHLLOKOSA-N 0 0 407.474 4.430 20 5 HIBDRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])nc21 ZINC000493276966 905073156 /nfs/dbraw/zinc/07/31/56/905073156.db2.gz NVIRGJFLENQQCK-LLVKDONJSA-N 0 0 421.500 4.009 20 5 HIBDRN Cc1c(CC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000493385937 905099465 /nfs/dbraw/zinc/09/94/65/905099465.db2.gz NBASXUHIRGOCQJ-MRXNPFEDSA-N 0 0 418.318 4.467 20 5 HIBDRN O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000493480133 905137163 /nfs/dbraw/zinc/13/71/63/905137163.db2.gz MIKJICIJLRKPLT-CYBMUJFWSA-N 0 0 408.254 4.369 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000493561594 905163520 /nfs/dbraw/zinc/16/35/20/905163520.db2.gz ZUMFJMHOMSBMHN-OAHLLOKOSA-N 0 0 404.291 4.159 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000512386508 921123263 /nfs/dbraw/zinc/12/32/63/921123263.db2.gz NOLQWQNFIIXVQR-UHFFFAOYSA-N 0 0 406.398 4.500 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000493713083 905201788 /nfs/dbraw/zinc/20/17/88/905201788.db2.gz WLLSOFNXKFEYIC-UHFFFAOYSA-N 0 0 407.655 4.381 20 5 HIBDRN CN(c1ccccc1)S(=O)(=O)c1cccc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000512395276 921131520 /nfs/dbraw/zinc/13/15/20/921131520.db2.gz RWHXTIZSTCSXEB-UHFFFAOYSA-N 0 0 403.485 4.094 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)cs1 ZINC000493953488 905303785 /nfs/dbraw/zinc/30/37/85/905303785.db2.gz ULUFGJNDDOZJOJ-CYBMUJFWSA-N 0 0 424.482 4.151 20 5 HIBDRN Cc1noc(COc2ccc(Nc3ccc([N+](=O)[O-])cc3Br)cc2)n1 ZINC000494019224 905359041 /nfs/dbraw/zinc/35/90/41/905359041.db2.gz HRNORHURJHSYER-UHFFFAOYSA-N 0 0 405.208 4.371 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC)c2ccccc2OC(F)F)cc1OC ZINC000512409428 921142548 /nfs/dbraw/zinc/14/25/48/921142548.db2.gz DEXZRFBIZCZWRG-CQSZACIVSA-N 0 0 424.400 4.485 20 5 HIBDRN COc1cc(CN(C)Cc2cccc3[nH]ccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000494061306 905398730 /nfs/dbraw/zinc/39/87/30/905398730.db2.gz VSIFROJOKBCQKE-UHFFFAOYSA-N 0 0 405.401 4.361 20 5 HIBDRN Cc1sc(C(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000494149226 905487821 /nfs/dbraw/zinc/48/78/21/905487821.db2.gz MZMRLAMYPKKCFP-MAUKXSAKSA-N 0 0 409.458 4.197 20 5 HIBDRN O=C(Nc1ccc(N2CCCC2=O)c(F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494152510 905490258 /nfs/dbraw/zinc/49/02/58/905490258.db2.gz KIXLTTCTWJQTGG-UHFFFAOYSA-N 0 0 412.421 4.057 20 5 HIBDRN COc1cc(C(=O)N(CCC(C)C)C2CC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000512427650 921154172 /nfs/dbraw/zinc/15/41/72/921154172.db2.gz MVFDGCDZCNKIKW-UHFFFAOYSA-N 0 0 419.503 4.290 20 5 HIBDRN CC(C)Oc1ccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000494200394 905533753 /nfs/dbraw/zinc/53/37/53/905533753.db2.gz DHMQXHSPBYFPHK-UHFFFAOYSA-N 0 0 411.380 4.400 20 5 HIBDRN COc1ccc(OC(F)F)c(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000494254548 905580723 /nfs/dbraw/zinc/58/07/23/905580723.db2.gz SDZFYLKCUHCBST-UHFFFAOYSA-N 0 0 407.373 4.401 20 5 HIBDRN C[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000494413527 905701108 /nfs/dbraw/zinc/70/11/08/905701108.db2.gz TUWIYDLGZNVKSJ-VHSXEESVSA-N 0 0 402.398 4.138 20 5 HIBDRN Cn1nc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000494466069 905748761 /nfs/dbraw/zinc/74/87/61/905748761.db2.gz YFYPBXPOMPJFAB-UHFFFAOYSA-N 0 0 408.336 4.473 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000494594577 905853376 /nfs/dbraw/zinc/85/33/76/905853376.db2.gz JNHWZSVHZKNGDZ-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000494644789 905879617 /nfs/dbraw/zinc/87/96/17/905879617.db2.gz DLHFVTBEWBKQLQ-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN C[S@@](=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 ZINC000494647296 905880856 /nfs/dbraw/zinc/88/08/56/905880856.db2.gz KAXDMILNZLUXOR-GDLZYMKVSA-N 0 0 409.467 4.197 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000494662499 905889253 /nfs/dbraw/zinc/88/92/53/905889253.db2.gz SEWYYWXPNWAZBV-HXUWFJFHSA-N 0 0 415.469 4.208 20 5 HIBDRN CC(C)CC1(C)CCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 ZINC000494754266 905953565 /nfs/dbraw/zinc/95/35/65/905953565.db2.gz WBILYKWXAALDRS-UHFFFAOYSA-N 0 0 417.535 4.163 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000494779838 905979171 /nfs/dbraw/zinc/97/91/71/905979171.db2.gz WWBYVFYZMAQERD-OAHLLOKOSA-N 0 0 404.850 4.235 20 5 HIBDRN C[C@@H](CCCC(F)(F)F)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000494805988 906007868 /nfs/dbraw/zinc/00/78/68/906007868.db2.gz XPDUFJIBRSJXQL-ZDUSSCGKSA-N 0 0 403.401 4.269 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(Br)c(F)c2)c1 ZINC000494860874 906045061 /nfs/dbraw/zinc/04/50/61/906045061.db2.gz KEKODUQFEKFONV-UHFFFAOYSA-N 0 0 413.268 4.491 20 5 HIBDRN COc1cc(C(=O)N(C)Cc2cc(Br)ccc2Cl)ccc1[N+](=O)[O-] ZINC000494863175 906047379 /nfs/dbraw/zinc/04/73/79/906047379.db2.gz HJRBWADVJSSQPH-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000494910965 906084152 /nfs/dbraw/zinc/08/41/52/906084152.db2.gz PYJUMOBTLNPVGA-ROUUACIJSA-N 0 0 423.391 4.333 20 5 HIBDRN COc1ccc(CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Cl)c1 ZINC000495034221 906188533 /nfs/dbraw/zinc/18/85/33/906188533.db2.gz AMIKXBCGLSFMMO-UHFFFAOYSA-N 0 0 403.866 4.174 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H](C)CCCC(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000495098704 906238655 /nfs/dbraw/zinc/23/86/55/906238655.db2.gz CGCAVSLLVIIBJY-LBPRGKRZSA-N 0 0 412.412 4.307 20 5 HIBDRN COc1ccc(CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@@H](C)C2CC2)c(OC)c1 ZINC000512530808 921218635 /nfs/dbraw/zinc/21/86/35/921218635.db2.gz OMEIPKRGFQOHPF-AWEZNQCLSA-N 0 0 414.458 4.062 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000495132556 906260432 /nfs/dbraw/zinc/26/04/32/906260432.db2.gz MESZUVKJNMTRIV-CQSZACIVSA-N 0 0 404.850 4.188 20 5 HIBDRN COCCN1C(=O)CCc2cc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)ccc21 ZINC000495149095 906271204 /nfs/dbraw/zinc/27/12/04/906271204.db2.gz FPYOFFFKXQQYIL-UHFFFAOYSA-N 0 0 421.453 4.393 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000495152570 906272740 /nfs/dbraw/zinc/27/27/40/906272740.db2.gz TYHFEJAGPAWFSF-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n[nH]2)c1 ZINC000512536047 921221686 /nfs/dbraw/zinc/22/16/86/921221686.db2.gz NRFGNOIZKFBKSA-UHFFFAOYSA-N 0 0 402.414 4.040 20 5 HIBDRN O=C(CCSc1ccc2c(c1)OCCO2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000495188540 906298652 /nfs/dbraw/zinc/29/86/52/906298652.db2.gz COQILZGINXQCIX-UHFFFAOYSA-N 0 0 414.483 4.039 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc1[N+](=O)[O-] ZINC000512546184 921227457 /nfs/dbraw/zinc/22/74/57/921227457.db2.gz ASJRKXNFLDQZGJ-UHFFFAOYSA-N 0 0 412.427 4.118 20 5 HIBDRN CC[C@@H](C)Sc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000495290232 906360253 /nfs/dbraw/zinc/36/02/53/906360253.db2.gz LSGLXAHSEDRXGH-SECBINFHSA-N 0 0 402.398 4.490 20 5 HIBDRN CC[C@@H](C[C@@H](C)CO)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000495340390 906387144 /nfs/dbraw/zinc/38/71/44/906387144.db2.gz QLXVAHIWABWATQ-ZBFHGGJFSA-N 0 0 419.909 4.387 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(OC2CCCCC2)CC1 ZINC000495684046 906523917 /nfs/dbraw/zinc/52/39/17/906523917.db2.gz OTUIGAAVUJZMQT-UHFFFAOYSA-N 0 0 418.537 4.495 20 5 HIBDRN COC(=O)c1c(F)cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000512573349 921244800 /nfs/dbraw/zinc/24/48/00/921244800.db2.gz LKFHVMIZADEEMR-UHFFFAOYSA-N 0 0 416.789 4.044 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)Cc1ccccc1 ZINC000495820389 906555791 /nfs/dbraw/zinc/55/57/91/906555791.db2.gz OJGSDHCDEFOZIA-OAHLLOKOSA-N 0 0 400.500 4.273 20 5 HIBDRN CCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000496119265 906610842 /nfs/dbraw/zinc/61/08/42/906610842.db2.gz KHPLWTOBZIIFNZ-LBPRGKRZSA-N 0 0 424.400 4.437 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)cc1OC ZINC000496285032 906646633 /nfs/dbraw/zinc/64/66/33/906646633.db2.gz PUHDUPNQDUVFKQ-OAQYLSRUSA-N 0 0 416.474 4.098 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000496341832 906662902 /nfs/dbraw/zinc/66/29/02/906662902.db2.gz NYJYZGHMINDQMD-UHFFFAOYSA-N 0 0 413.493 4.380 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)cc([N+](=O)[O-])c1 ZINC000496631355 906725596 /nfs/dbraw/zinc/72/55/96/906725596.db2.gz LQBVXLGGADWRJR-CQSZACIVSA-N 0 0 402.834 4.055 20 5 HIBDRN CCNC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nc2ccccc21 ZINC000496931191 906782849 /nfs/dbraw/zinc/78/28/49/906782849.db2.gz AIPWGBQPCNEQHK-UHFFFAOYSA-N 0 0 420.450 4.360 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCc3cccc(OC(F)F)c3)cc2[N+](=O)[O-])C1 ZINC000497045350 906797477 /nfs/dbraw/zinc/79/74/77/906797477.db2.gz CVURARRCJOBFPR-AWEZNQCLSA-N 0 0 419.428 4.363 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000497141357 906811685 /nfs/dbraw/zinc/81/16/85/906811685.db2.gz MUFVDFWKYBZDQK-MRXNPFEDSA-N 0 0 403.398 4.103 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000497144518 906813113 /nfs/dbraw/zinc/81/31/13/906813113.db2.gz KKKWEXLEIXALDV-KXBFYZLASA-N 0 0 418.490 4.422 20 5 HIBDRN Cn1nccc1[C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512636191 921269604 /nfs/dbraw/zinc/26/96/04/921269604.db2.gz XKYNVJRRLIAEOL-QGZVFWFLSA-N 0 0 405.458 4.092 20 5 HIBDRN Cc1cnn(-c2ccc(C)cc2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000497354721 906849035 /nfs/dbraw/zinc/84/90/35/906849035.db2.gz LKQHXNKVTPAZQJ-UHFFFAOYSA-N 0 0 402.357 4.251 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H](C)CO2)c1 ZINC000497364491 906855505 /nfs/dbraw/zinc/85/55/05/906855505.db2.gz IOLBNJKIXYFENW-LIRRHRJNSA-N 0 0 420.412 4.415 20 5 HIBDRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000497417369 906891817 /nfs/dbraw/zinc/89/18/17/906891817.db2.gz MIHFRIWFKJTVFB-IFXJQAMLSA-N 0 0 411.506 4.148 20 5 HIBDRN CC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)nc1C ZINC000497502729 906989022 /nfs/dbraw/zinc/98/90/22/906989022.db2.gz ZHFFCSDHJPVICB-UHFFFAOYSA-N 0 0 418.453 4.043 20 5 HIBDRN CS(=O)(=O)c1cccc(Oc2cccc(C(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] ZINC000497535750 907025357 /nfs/dbraw/zinc/02/53/57/907025357.db2.gz AKRULJMUGBHKPK-UHFFFAOYSA-N 0 0 412.423 4.043 20 5 HIBDRN CC[C@@H](Nc1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000497555482 907043883 /nfs/dbraw/zinc/04/38/83/907043883.db2.gz ZKEQNYRMCOJDOO-RHSMWYFYSA-N 0 0 411.380 4.269 20 5 HIBDRN Cc1cc([C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000497581042 907063141 /nfs/dbraw/zinc/06/31/41/907063141.db2.gz RWOFBJSJHXOTDX-QGZVFWFLSA-N 0 0 423.238 4.019 20 5 HIBDRN Cc1n[nH]c(C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)c1[N+](=O)[O-] ZINC000512698669 921291521 /nfs/dbraw/zinc/29/15/21/921291521.db2.gz DZINFJVVTXRTFK-UHFFFAOYSA-N 0 0 416.482 4.037 20 5 HIBDRN COc1cccc(-c2nc(C)c(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)[nH]2)c1 ZINC000497590394 907070444 /nfs/dbraw/zinc/07/04/44/907070444.db2.gz GIGKKWGKOVRQLD-UHFFFAOYSA-N 0 0 406.442 4.107 20 5 HIBDRN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497601559 907080728 /nfs/dbraw/zinc/08/07/28/907080728.db2.gz QRGVNVQYFSCNOI-GUYCJALGSA-N 0 0 406.385 4.094 20 5 HIBDRN CCOc1cc(NC(=O)N(C)[C@@H]2CCc3ccccc3C2)c([N+](=O)[O-])cc1OCC ZINC000512726022 921297121 /nfs/dbraw/zinc/29/71/21/921297121.db2.gz RLXVSLUHHGRCLR-QGZVFWFLSA-N 0 0 413.474 4.413 20 5 HIBDRN C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497661653 907154908 /nfs/dbraw/zinc/15/49/08/907154908.db2.gz WWQPGFDBRADHBK-OAHLLOKOSA-N 0 0 402.516 4.165 20 5 HIBDRN CC(C)(C(=O)N[C@H]1CCOc2c(Br)cccc21)c1ccccc1[N+](=O)[O-] ZINC000512746939 921301150 /nfs/dbraw/zinc/30/11/50/921301150.db2.gz BDVHVUIFZPEPFB-HNNXBMFYSA-N 0 0 419.275 4.275 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1OCC ZINC000497765284 907258330 /nfs/dbraw/zinc/25/83/30/907258330.db2.gz CPAREJFAIGOYEN-AWEZNQCLSA-N 0 0 409.442 4.431 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000497805315 907289482 /nfs/dbraw/zinc/28/94/82/907289482.db2.gz WGCJYAJLBRHASW-UHFFFAOYSA-N 0 0 411.801 4.219 20 5 HIBDRN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497805538 907289617 /nfs/dbraw/zinc/28/96/17/907289617.db2.gz XTERTLIRDWYJCO-AWEZNQCLSA-N 0 0 422.384 4.396 20 5 HIBDRN Cc1nc(-c2ccc([C@@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])s3)cc2)cs1 ZINC000512783272 921310675 /nfs/dbraw/zinc/31/06/75/921310675.db2.gz NNCSLNSBNAGNCE-SNVBAGLBSA-N 0 0 409.514 4.128 20 5 HIBDRN O=C(Nc1ccc2c(c1)NC(=O)CS2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000497806863 907292236 /nfs/dbraw/zinc/29/22/36/907292236.db2.gz DXKMEAYDRBOIFE-UHFFFAOYSA-N 0 0 412.452 4.015 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1nnc2n1CCCCC2 ZINC000497832072 907314504 /nfs/dbraw/zinc/31/45/04/907314504.db2.gz RIBKBFLREVDNBP-HNNXBMFYSA-N 0 0 421.457 4.196 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1nccn1-c1ccccc1 ZINC000512801910 921314002 /nfs/dbraw/zinc/31/40/02/921314002.db2.gz IXWICHNOIJJOPX-MRXNPFEDSA-N 0 0 405.458 4.216 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512800653 921314051 /nfs/dbraw/zinc/31/40/51/921314051.db2.gz FVTJMOAWRPXHCS-BEFAXECRSA-N 0 0 419.428 4.144 20 5 HIBDRN CC1(C)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000497862151 907340287 /nfs/dbraw/zinc/34/02/87/907340287.db2.gz ANXRKUGFGSIJEZ-INIZCTEOSA-N 0 0 423.391 4.188 20 5 HIBDRN C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497910553 907381828 /nfs/dbraw/zinc/38/18/28/907381828.db2.gz KGBOBKNOGYISKI-GFCCVEGCSA-N 0 0 414.259 4.267 20 5 HIBDRN Cn1ccnc1Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000497914438 907385527 /nfs/dbraw/zinc/38/55/27/907385527.db2.gz YSXWBUSOVCHIHF-UHFFFAOYSA-N 0 0 405.439 4.280 20 5 HIBDRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000497923948 907392501 /nfs/dbraw/zinc/39/25/01/907392501.db2.gz FBWFIABRCXOJQZ-MGPLVRAMSA-N 0 0 400.328 4.259 20 5 HIBDRN Cc1ccc(Br)c(S(=O)(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000497945381 907413104 /nfs/dbraw/zinc/41/31/04/907413104.db2.gz WYSCDCMWBAQEQT-LBPRGKRZSA-N 0 0 413.293 4.014 20 5 HIBDRN Cc1c(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] ZINC000498010451 907500902 /nfs/dbraw/zinc/50/09/02/907500902.db2.gz CUBJWPHQKHDPGM-HNNXBMFYSA-N 0 0 403.276 4.371 20 5 HIBDRN COc1ccc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000498042618 907552716 /nfs/dbraw/zinc/55/27/16/907552716.db2.gz CDKKOONGZVXWRK-CQSZACIVSA-N 0 0 419.275 4.071 20 5 HIBDRN Cc1cc(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 ZINC000498102683 907611303 /nfs/dbraw/zinc/61/13/03/907611303.db2.gz FZPVZAOKYBXIAS-AWEZNQCLSA-N 0 0 408.414 4.188 20 5 HIBDRN CCOc1ccccc1C1=CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000498122758 907635464 /nfs/dbraw/zinc/63/54/64/907635464.db2.gz LXRYXLDCTNTDRN-UHFFFAOYSA-N 0 0 403.438 4.471 20 5 HIBDRN O=C(c1cccc(-c2noc(C3CC3)n2)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498133844 907652414 /nfs/dbraw/zinc/65/24/14/907652414.db2.gz YUNAWIFZVHGYIB-OAQYLSRUSA-N 0 0 422.466 4.410 20 5 HIBDRN C[C@@H](CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(F)c1 ZINC000498132849 907652557 /nfs/dbraw/zinc/65/25/57/907652557.db2.gz SXQOQPGOGOUDDL-RBZFPXEDSA-N 0 0 402.447 4.217 20 5 HIBDRN Cc1c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(C)c1 ZINC000498141326 907663194 /nfs/dbraw/zinc/66/31/94/907663194.db2.gz XCHJPYREXMXRJG-OAQYLSRUSA-N 0 0 408.483 4.285 20 5 HIBDRN O=C(CSc1nc2ccccc2o1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498141370 907663330 /nfs/dbraw/zinc/66/33/30/907663330.db2.gz XITIVFFMBQYZIP-QGZVFWFLSA-N 0 0 401.469 4.102 20 5 HIBDRN CC(=O)c1ccc(OCCCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000498140990 907663479 /nfs/dbraw/zinc/66/34/79/907663479.db2.gz UKOBVKITLFXHPB-OAQYLSRUSA-N 0 0 414.483 4.231 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000498146222 907670904 /nfs/dbraw/zinc/67/09/04/907670904.db2.gz XLVYQGRSPHYLFN-OAHLLOKOSA-N 0 0 424.888 4.315 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000498239522 907773473 /nfs/dbraw/zinc/77/34/73/907773473.db2.gz YODTYFIIPADHKB-INIZCTEOSA-N 0 0 422.384 4.009 20 5 HIBDRN C[C@@H](NC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000498242112 907777625 /nfs/dbraw/zinc/77/76/25/907777625.db2.gz FASQBYCSVLGRNZ-ACJLOTCBSA-N 0 0 421.400 4.040 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498280211 907814867 /nfs/dbraw/zinc/81/48/67/907814867.db2.gz ZMSCUBSVFWEAHE-UHFFFAOYSA-N 0 0 424.310 4.070 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(Oc2ccccc2Cl)CC1 ZINC000498420095 907893820 /nfs/dbraw/zinc/89/38/20/907893820.db2.gz NPOQIVWBOAFRHK-UHFFFAOYSA-N 0 0 411.845 4.480 20 5 HIBDRN CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000498472774 907943583 /nfs/dbraw/zinc/94/35/83/907943583.db2.gz VEBNXSWMENMGEO-LJQANCHMSA-N 0 0 416.909 4.101 20 5 HIBDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000498488946 907963164 /nfs/dbraw/zinc/96/31/64/907963164.db2.gz YXDISXBOJNQWOA-HNNXBMFYSA-N 0 0 408.911 4.275 20 5 HIBDRN Cc1cccc([C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2ccccn2)c1 ZINC000498598874 908047813 /nfs/dbraw/zinc/04/78/13/908047813.db2.gz NISJATPKNAOUAE-QFIPXVFZSA-N 0 0 413.437 4.003 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1noc(-c2ccc(Cl)cc2)n1 ZINC000498645929 908086536 /nfs/dbraw/zinc/08/65/36/908086536.db2.gz ZQPBCOXHGFZOHW-LLVKDONJSA-N 0 0 423.816 4.337 20 5 HIBDRN CCC(C)(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000498680517 908109714 /nfs/dbraw/zinc/10/97/14/908109714.db2.gz KQBSQFSFMUIMJN-UHFFFAOYSA-N 0 0 419.503 4.013 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000498841338 908247758 /nfs/dbraw/zinc/24/77/58/908247758.db2.gz MWZUJJSELUPAAQ-INIZCTEOSA-N 0 0 412.776 4.063 20 5 HIBDRN CSc1ccc(C(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000498843750 908248139 /nfs/dbraw/zinc/24/81/39/908248139.db2.gz CMLDQFHPEDHBTB-INIZCTEOSA-N 0 0 424.425 4.132 20 5 HIBDRN O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000512901339 921393507 /nfs/dbraw/zinc/39/35/07/921393507.db2.gz PPWZVGMUQSYHIS-UHFFFAOYSA-N 0 0 419.796 4.222 20 5 HIBDRN CC1CCN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)CC1 ZINC000498874261 908272416 /nfs/dbraw/zinc/27/24/16/908272416.db2.gz OFOLLSRIAPIGAP-UHFFFAOYSA-N 0 0 411.487 4.084 20 5 HIBDRN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000498998808 908377397 /nfs/dbraw/zinc/37/73/97/908377397.db2.gz FZZKHPINUBFIHT-OAHLLOKOSA-N 0 0 415.515 4.091 20 5 HIBDRN O=C(Cc1csc(Cc2ccccc2)n1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000499039498 908414024 /nfs/dbraw/zinc/41/40/24/908414024.db2.gz USHWZTNXJSOBRJ-UHFFFAOYSA-N 0 0 419.466 4.213 20 5 HIBDRN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(Oc4ccccc4)nn3)CC2)cc1 ZINC000499069441 908434605 /nfs/dbraw/zinc/43/46/05/908434605.db2.gz NEIPXKQUVUYIFT-UHFFFAOYSA-N 0 0 406.442 4.221 20 5 HIBDRN CCn1c(Sc2ccc([N+](=O)[O-])cc2Br)nnc1-c1cccnc1 ZINC000499144852 908501628 /nfs/dbraw/zinc/50/16/28/908501628.db2.gz FBYKTTGILYKAAZ-UHFFFAOYSA-N 0 0 406.265 4.182 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC[C@H]3c3cccs3)cc2)c(C)c1[N+](=O)[O-] ZINC000499146757 908503721 /nfs/dbraw/zinc/50/37/21/908503721.db2.gz AOINFGUQFOYBAQ-SFHVURJKSA-N 0 0 410.499 4.495 20 5 HIBDRN CN(Cc1cc(Br)ccc1F)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000499196269 908550867 /nfs/dbraw/zinc/55/08/67/908550867.db2.gz RXKZBDUNNVKFLQ-UHFFFAOYSA-N 0 0 424.270 4.347 20 5 HIBDRN Cc1ccc(Sc2ccc(C[NH2+]C3(c4nnn[n-]4)CCCC3)cc2[N+](=O)[O-])cc1 ZINC000499215524 908571335 /nfs/dbraw/zinc/57/13/35/908571335.db2.gz QOMXLFLWZBKKLF-UHFFFAOYSA-N 0 0 410.503 4.127 20 5 HIBDRN O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000499215398 908572015 /nfs/dbraw/zinc/57/20/15/908572015.db2.gz FOZCGOPEPZXNMG-UHFFFAOYSA-N 0 0 414.458 4.470 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)cc1SC ZINC000499238686 908603386 /nfs/dbraw/zinc/60/33/86/908603386.db2.gz WBNWVMNVOAQYIV-MRXNPFEDSA-N 0 0 400.500 4.481 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C2(c3nnn[n-]3)CCCC2)cc1 ZINC000499246189 908615868 /nfs/dbraw/zinc/61/58/68/908615868.db2.gz BJQFMSFLYBEJIB-UHFFFAOYSA-N 0 0 414.853 4.113 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000512933957 921424490 /nfs/dbraw/zinc/42/44/90/921424490.db2.gz NQWNHZXHEZGEFI-UHFFFAOYSA-N 0 0 410.367 4.485 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499276486 908655444 /nfs/dbraw/zinc/65/54/44/908655444.db2.gz OJFGZNUTBVGLNR-KRWDZBQOSA-N 0 0 407.373 4.110 20 5 HIBDRN Cc1ccc(C[C@@H]2CCCN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000499278842 908657673 /nfs/dbraw/zinc/65/76/73/908657673.db2.gz ALYPDNINJRVUIZ-NRFANRHFSA-N 0 0 407.514 4.353 20 5 HIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000499301235 908671312 /nfs/dbraw/zinc/67/13/12/908671312.db2.gz QOQSTFPHQPTBTM-INIZCTEOSA-N 0 0 407.474 4.034 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000499348811 908723000 /nfs/dbraw/zinc/72/30/00/908723000.db2.gz FVYRGGVVCURGAH-SUNYJGFJSA-N 0 0 404.850 4.004 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000512949294 921433687 /nfs/dbraw/zinc/43/36/87/921433687.db2.gz RSIUQBCXZAGAHM-UHFFFAOYSA-N 0 0 408.458 4.257 20 5 HIBDRN COc1cc(C(=O)Nc2ccnnc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000499388633 908752125 /nfs/dbraw/zinc/75/21/25/908752125.db2.gz GKXOYFLVTXJXHW-UHFFFAOYSA-N 0 0 414.805 4.400 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccccc1OC[C@H]1CCCO1 ZINC000499472519 908809262 /nfs/dbraw/zinc/80/92/62/908809262.db2.gz QVKKXNAEGXKLNQ-CYBMUJFWSA-N 0 0 410.348 4.424 20 5 HIBDRN CC(C)(C)N(Cc1ccccc1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000499475288 908810486 /nfs/dbraw/zinc/81/04/86/908810486.db2.gz XFZVMCBQOJUZEW-UHFFFAOYSA-N 0 0 411.458 4.110 20 5 HIBDRN CCSCCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000499515523 908824749 /nfs/dbraw/zinc/82/47/49/908824749.db2.gz PTOILXOQMHBCRE-UHFFFAOYSA-N 0 0 419.469 4.089 20 5 HIBDRN CCCN(CCc1cccc(F)c1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000499539893 908833349 /nfs/dbraw/zinc/83/33/49/908833349.db2.gz MTGBFVYBRZVDGV-UHFFFAOYSA-N 0 0 410.449 4.229 20 5 HIBDRN COc1cc(CN(C)C(=O)c2c(N)cccc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000499544031 908835701 /nfs/dbraw/zinc/83/57/01/908835701.db2.gz 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/nfs/dbraw/zinc/82/66/06/911826606.db2.gz GWEAXKIUBQOAGZ-AWEZNQCLSA-N 0 0 410.257 4.397 20 5 HIBDRN O=C(c1ccc2[nH]ccc2c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000502843276 911854134 /nfs/dbraw/zinc/85/41/34/911854134.db2.gz LJBYGFYBKRFCKQ-UHFFFAOYSA-N 0 0 418.375 4.057 20 5 HIBDRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000502858388 911866144 /nfs/dbraw/zinc/86/61/44/911866144.db2.gz GCJZRWACUMAELZ-UHFFFAOYSA-N 0 0 405.241 4.360 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(OC)cc1OC ZINC000502987370 911964988 /nfs/dbraw/zinc/96/49/88/911964988.db2.gz QLBLSFGGXPONJX-UHFFFAOYSA-N 0 0 404.488 4.087 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1 ZINC000503037164 912006220 /nfs/dbraw/zinc/00/62/20/912006220.db2.gz GNMKQTNEWSSNAM-UHFFFAOYSA-N 0 0 405.241 4.155 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000503036309 912006347 /nfs/dbraw/zinc/00/63/47/912006347.db2.gz CHTSYBLRJLPISS-ZDUSSCGKSA-N 0 0 413.499 4.473 20 5 HIBDRN CC(C)Oc1cc(CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)ccn1 ZINC000503050568 912013783 /nfs/dbraw/zinc/01/37/83/912013783.db2.gz FNENPDWSXNYGOA-UHFFFAOYSA-N 0 0 418.881 4.034 20 5 HIBDRN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](c1csc2ccccc21)c1cccnc1 ZINC000503062793 912027595 /nfs/dbraw/zinc/02/75/95/912027595.db2.gz DWMNKQATNDHPIM-HXUWFJFHSA-N 0 0 421.482 4.190 20 5 HIBDRN Cn1ccnc1[C@H](NCCCc1c[nH]c2ccc(F)cc12)c1cccc([N+](=O)[O-])c1 ZINC000503076724 912049330 /nfs/dbraw/zinc/04/93/30/912049330.db2.gz UFGCGDKTMBUEST-OAQYLSRUSA-N 0 0 407.449 4.261 20 5 HIBDRN Cc1c(CNC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cccc1[N+](=O)[O-] ZINC000503112037 912077007 /nfs/dbraw/zinc/07/70/07/912077007.db2.gz ZEUYRRSVSJLYJU-ZWKOTPCHSA-N 0 0 424.284 4.010 20 5 HIBDRN COc1ccc(CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC2CC2)c(OC)c1 ZINC000503198392 912177708 /nfs/dbraw/zinc/17/77/08/912177708.db2.gz DUMHRZTYYVGOOQ-UHFFFAOYSA-N 0 0 424.457 4.074 20 5 HIBDRN C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000506277891 914879618 /nfs/dbraw/zinc/87/96/18/914879618.db2.gz VXWLCWNEONNEAY-CQSZACIVSA-N 0 0 405.414 4.125 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN[C@H](c3c(F)cccc3F)C(F)(F)F)n2)c1 ZINC000506291511 914888317 /nfs/dbraw/zinc/88/83/17/914888317.db2.gz HNLRMDYIBAAJKZ-OAHLLOKOSA-N 0 0 414.290 4.316 20 5 HIBDRN Cc1c(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1-c1cc(C)ccc1C ZINC000506295971 914890630 /nfs/dbraw/zinc/89/06/30/914890630.db2.gz VYGLNGBMXPVECX-UHFFFAOYSA-N 0 0 404.430 4.368 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2cc(-c3ccsc3)nn2-c2ccccc2)c1[N+](=O)[O-] ZINC000506318249 914915016 /nfs/dbraw/zinc/91/50/16/914915016.db2.gz PYHSXXXLNPGPST-UHFFFAOYSA-N 0 0 408.443 4.047 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000506353548 914973323 /nfs/dbraw/zinc/97/33/23/914973323.db2.gz FBUZJGHXZCRQMY-CQSZACIVSA-N 0 0 415.519 4.043 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCCOc2ccc(F)cc21 ZINC000506358584 914981793 /nfs/dbraw/zinc/98/17/93/914981793.db2.gz WRVKEDQDTBIESD-ZDUSSCGKSA-N 0 0 411.336 4.371 20 5 HIBDRN CCCOCc1ccccc1CNC(=O)COc1cc(C)c([N+](=O)[O-])cc1Cl ZINC000506434810 915036765 /nfs/dbraw/zinc/03/67/65/915036765.db2.gz WOQWOAGSNPACDH-UHFFFAOYSA-N 0 0 406.866 4.178 20 5 HIBDRN CCOC1(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCC1 ZINC000506480118 915082500 /nfs/dbraw/zinc/08/25/00/915082500.db2.gz KRJYZXBBGPWPOI-MRXNPFEDSA-N 0 0 412.490 4.242 20 5 HIBDRN Cc1cc(OCC(=O)N(C)Cc2ccc(OC(F)F)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000506539741 915185263 /nfs/dbraw/zinc/18/52/63/915185263.db2.gz RRAZQHQJGXNZJW-UHFFFAOYSA-N 0 0 414.792 4.195 20 5 HIBDRN O=C(COc1c(Cl)cncc1[N+](=O)[O-])N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000506552274 915198456 /nfs/dbraw/zinc/19/84/56/915198456.db2.gz DZDKBOFSKABMSX-GOSISDBHSA-N 0 0 423.856 4.196 20 5 HIBDRN CC(=O)N(c1nc(COc2c(Cl)cncc2[N+](=O)[O-])cs1)c1ccccc1 ZINC000506568869 915214387 /nfs/dbraw/zinc/21/43/87/915214387.db2.gz SRSHYODOCVPLKI-UHFFFAOYSA-N 0 0 404.835 4.363 20 5 HIBDRN CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000506622146 915282947 /nfs/dbraw/zinc/28/29/47/915282947.db2.gz ADLAZVSSGNATIP-SGTLLEGYSA-N 0 0 419.865 4.040 20 5 HIBDRN O=C(NCCc1cc2ccccc2s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000506705399 915381355 /nfs/dbraw/zinc/38/13/55/915381355.db2.gz YPXSEECPIYGQLD-UHFFFAOYSA-N 0 0 409.511 4.385 20 5 HIBDRN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000506747823 915439492 /nfs/dbraw/zinc/43/94/92/915439492.db2.gz PPWLQWYINSMEGN-UHFFFAOYSA-N 0 0 408.336 4.259 20 5 HIBDRN COc1ccccc1CN1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000513406588 921774604 /nfs/dbraw/zinc/77/46/04/921774604.db2.gz UTIQBSDABXMURP-UHFFFAOYSA-N 0 0 424.526 4.045 20 5 HIBDRN CCOC(=O)c1c2ccccc2sc1NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000506780163 915501730 /nfs/dbraw/zinc/50/17/30/915501730.db2.gz PONFBUPDZFKFAT-UHFFFAOYSA-N 0 0 400.412 4.247 20 5 HIBDRN CCc1ccccc1NC(=O)CN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000506806048 915555028 /nfs/dbraw/zinc/55/50/28/915555028.db2.gz LTLVLYRMJDHFFF-UHFFFAOYSA-N 0 0 410.499 4.351 20 5 HIBDRN COc1cccc(CN(C)C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000506812955 915570324 /nfs/dbraw/zinc/57/03/24/915570324.db2.gz DAPQULBEISBJLX-UHFFFAOYSA-N 0 0 411.380 4.083 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(Nc4cccc(F)c4)s3)cc2N1 ZINC000506836397 915613505 /nfs/dbraw/zinc/61/35/05/915613505.db2.gz HCCJOTMWSZGJPW-UHFFFAOYSA-N 0 0 417.447 4.365 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1OCC(F)(F)F ZINC000506841789 915619656 /nfs/dbraw/zinc/61/96/56/915619656.db2.gz RUMFQAGLCPLMNC-UHFFFAOYSA-N 0 0 401.316 4.039 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1cc(C(F)(F)F)ccn1 ZINC000506845583 915625956 /nfs/dbraw/zinc/62/59/56/915625956.db2.gz VHQGFGXUFPSRMZ-UHFFFAOYSA-N 0 0 419.812 4.113 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(Oc3ccc(S(=O)(=O)c4ccccc4)cc3)cc2N1 ZINC000506853562 915638021 /nfs/dbraw/zinc/63/80/21/915638021.db2.gz GEWYDRXKZXTZKF-UHFFFAOYSA-N 0 0 424.434 4.105 20 5 HIBDRN C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000506902065 915700858 /nfs/dbraw/zinc/70/08/58/915700858.db2.gz ZVVXBDFEJZCRTJ-WCQYABFASA-N 0 0 405.501 4.051 20 5 HIBDRN O=C(c1cccc(C(F)(F)F)c1)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000506908246 915707963 /nfs/dbraw/zinc/70/79/63/915707963.db2.gz KXDDUOTVOSCKDA-QPJJXVBHSA-N 0 0 419.403 4.085 20 5 HIBDRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000506993590 915807941 /nfs/dbraw/zinc/80/79/41/915807941.db2.gz WCRZKADADWHYSS-UHFFFAOYSA-N 0 0 415.837 4.054 20 5 HIBDRN C[C@@H](COc1ccccc1C(F)(F)F)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000507019741 915826247 /nfs/dbraw/zinc/82/62/47/915826247.db2.gz AGGLKMQYCUMNKO-NSHDSACASA-N 0 0 409.364 4.378 20 5 HIBDRN Cn1cc(C(=O)NCCc2ccc(C(C)(C)C)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507047654 915840497 /nfs/dbraw/zinc/84/04/97/915840497.db2.gz IEQJTMTYAFLMNG-UHFFFAOYSA-N 0 0 406.486 4.265 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(C(F)F)c2)cc1[N+](=O)[O-] ZINC000507162717 915900956 /nfs/dbraw/zinc/90/09/56/915900956.db2.gz DMDHOJAVNLUSEM-UHFFFAOYSA-N 0 0 405.386 4.064 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])cc1 ZINC000507169962 915913088 /nfs/dbraw/zinc/91/30/88/915913088.db2.gz LLXNPHURYIAKQQ-SFHVURJKSA-N 0 0 414.458 4.378 20 5 HIBDRN CC(C)C(=O)NC1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000507186173 915934274 /nfs/dbraw/zinc/93/42/74/915934274.db2.gz BUUQNUJOOXHLEB-UHFFFAOYSA-N 0 0 415.465 4.263 20 5 HIBDRN CN(CC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1)c1ccccc1[N+](=O)[O-] ZINC000507268158 916031133 /nfs/dbraw/zinc/03/11/33/916031133.db2.gz BFISHLCOHBVZEF-OAQYLSRUSA-N 0 0 419.485 4.175 20 5 HIBDRN CCCN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000507297044 916063982 /nfs/dbraw/zinc/06/39/82/916063982.db2.gz OQSXNIMTNBTHJC-IAGOWNOFSA-N 0 0 412.490 4.495 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000507329998 916087766 /nfs/dbraw/zinc/08/77/66/916087766.db2.gz OPKZDBRTJVDCKH-LSDHHAIUSA-N 0 0 403.504 4.392 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000507483783 916251053 /nfs/dbraw/zinc/25/10/53/916251053.db2.gz OWFCQPBEOHHCFF-ZDUSSCGKSA-N 0 0 412.870 4.092 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000507511835 916276395 /nfs/dbraw/zinc/27/63/95/916276395.db2.gz RRTXONZFAVVKBY-NSHDSACASA-N 0 0 407.455 4.394 20 5 HIBDRN Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])cc2)cs1 ZINC000507528718 916287413 /nfs/dbraw/zinc/28/74/13/916287413.db2.gz JHLDZQJRHJVORN-ZDUSSCGKSA-N 0 0 417.512 4.375 20 5 HIBDRN O=C(Cc1ccc(Br)c(F)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000507544880 916301243 /nfs/dbraw/zinc/30/12/43/916301243.db2.gz YWMQFEPSYOPURT-UHFFFAOYSA-N 0 0 419.153 4.279 20 5 HIBDRN CS(=O)(=O)c1cc(SCCOc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000507614893 916372230 /nfs/dbraw/zinc/37/22/30/916372230.db2.gz FHQUQVKKOTWVBJ-UHFFFAOYSA-N 0 0 421.418 4.188 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1nccs1)C(F)(F)F ZINC000507621642 916380390 /nfs/dbraw/zinc/38/03/90/916380390.db2.gz PGBVYBBRMXFWAH-LLVKDONJSA-N 0 0 411.814 4.217 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1nccs1)C(F)(F)F ZINC000507621646 916380906 /nfs/dbraw/zinc/38/09/06/916380906.db2.gz PGBVYBBRMXFWAH-NSHDSACASA-N 0 0 411.814 4.217 20 5 HIBDRN CS(=O)(=O)c1cc(SCCOc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] ZINC000507627028 916385583 /nfs/dbraw/zinc/38/55/83/916385583.db2.gz PCSOKIXZVNDEIP-UHFFFAOYSA-N 0 0 422.311 4.476 20 5 HIBDRN O=C(CC[S@@](=O)Cc1cccc(Cl)c1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000507696798 916474965 /nfs/dbraw/zinc/47/49/65/916474965.db2.gz GOYYRIUWNKPDPY-RUZDIDTESA-N 0 0 401.271 4.179 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000507759213 916546752 /nfs/dbraw/zinc/54/67/52/916546752.db2.gz OVVYZDLWZQJKQL-INIZCTEOSA-N 0 0 421.400 4.409 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000507759217 916547326 /nfs/dbraw/zinc/54/73/26/916547326.db2.gz OVVYZDLWZQJKQL-MRXNPFEDSA-N 0 0 421.400 4.409 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@@H]1CCCOC1 ZINC000507825263 916625033 /nfs/dbraw/zinc/62/50/33/916625033.db2.gz MFCMJWSAWBMCDB-GDBMZVCRSA-N 0 0 417.893 4.405 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CSc2ccc(Cl)cc2)n1C ZINC000507950861 916812517 /nfs/dbraw/zinc/81/25/17/916812517.db2.gz PQWHKJDCFATXDS-UHFFFAOYSA-N 0 0 403.895 4.305 20 5 HIBDRN Cc1cccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1[N+](=O)[O-] ZINC000507988958 916830704 /nfs/dbraw/zinc/83/07/04/916830704.db2.gz IXHNAOSWXLXNQJ-HNNXBMFYSA-N 0 0 410.405 4.112 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cccc1[N+](=O)[O-] ZINC000508004375 916844087 /nfs/dbraw/zinc/84/40/87/916844087.db2.gz YFNLVBLNHYUGJO-OAHLLOKOSA-N 0 0 410.405 4.112 20 5 HIBDRN Cc1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-] ZINC000508003875 916844265 /nfs/dbraw/zinc/84/42/65/916844265.db2.gz VEQJVXPTAHFPRB-INIZCTEOSA-N 0 0 410.405 4.112 20 5 HIBDRN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000508142744 916963057 /nfs/dbraw/zinc/96/30/57/916963057.db2.gz QFOFLNCZFNGCDV-LLVKDONJSA-N 0 0 407.348 4.292 20 5 HIBDRN O=C(COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000508167918 916989712 /nfs/dbraw/zinc/98/97/12/916989712.db2.gz ZLWHOHZKSANWRD-UHFFFAOYSA-N 0 0 420.194 4.062 20 5 HIBDRN Cc1c(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000508168281 916990162 /nfs/dbraw/zinc/99/01/62/916990162.db2.gz ZSYPMRUWKVHWAU-MRXNPFEDSA-N 0 0 403.866 4.051 20 5 HIBDRN Cc1c(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000508255662 917072990 /nfs/dbraw/zinc/07/29/90/917072990.db2.gz DNEBXFCMMRVOLZ-LLVKDONJSA-N 0 0 408.241 4.202 20 5 HIBDRN CCSc1ccc([C@@H](C)NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000508570359 917343037 /nfs/dbraw/zinc/34/30/37/917343037.db2.gz QTMPRHMAOUBMFW-MRXNPFEDSA-N 0 0 414.531 4.300 20 5 HIBDRN CCSc1ccc([C@H](C)NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000508581244 917352718 /nfs/dbraw/zinc/35/27/18/917352718.db2.gz VRIQGHBRVOZGFS-INIZCTEOSA-N 0 0 414.531 4.300 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1cccs1 ZINC000508590620 917362786 /nfs/dbraw/zinc/36/27/86/917362786.db2.gz UQKLJHYVKGOKAH-GFCCVEGCSA-N 0 0 416.240 4.142 20 5 HIBDRN COc1cc(-c2nc(-c3cc(Br)ccc3C)no2)cc([N+](=O)[O-])c1OC ZINC000508685505 917449332 /nfs/dbraw/zinc/44/93/32/917449332.db2.gz HAKGMTGUTQPBNJ-UHFFFAOYSA-N 0 0 420.219 4.400 20 5 HIBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1I)c1cc(C)cc(C)c1 ZINC000508752494 917510372 /nfs/dbraw/zinc/51/03/72/917510372.db2.gz CJZOORDQYWTHDW-UHFFFAOYSA-N 0 0 424.238 4.483 20 5 HIBDRN COc1ccc(NC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)c([N+](=O)[O-])c1 ZINC000508778227 917532653 /nfs/dbraw/zinc/53/26/53/917532653.db2.gz LOWARPIQVAUHHI-UHFFFAOYSA-N 0 0 401.806 4.308 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccnc1N1CCCCC1 ZINC000508892314 917647775 /nfs/dbraw/zinc/64/77/75/917647775.db2.gz IJCSJLVSWXYGSI-UHFFFAOYSA-N 0 0 404.854 4.041 20 5 HIBDRN O=C(Nc1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1I ZINC000508905973 917661671 /nfs/dbraw/zinc/66/16/71/917661671.db2.gz NEZWQMNSWFNJJK-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)c2ccccc21 ZINC000508916871 917673857 /nfs/dbraw/zinc/67/38/57/917673857.db2.gz BUOWTFGJSFHRKK-LLVKDONJSA-N 0 0 422.222 4.353 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)cc1[N+](=O)[O-] ZINC000508969178 917725013 /nfs/dbraw/zinc/72/50/13/917725013.db2.gz MFSMARYRYUCBQQ-UHFFFAOYSA-N 0 0 422.268 4.340 20 5 HIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Oc2ccccc2Cl)CC1 ZINC000508985709 917739817 /nfs/dbraw/zinc/73/98/17/917739817.db2.gz YWXREEWTMFETAP-UHFFFAOYSA-N 0 0 413.865 4.092 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c(F)c1 ZINC000509005527 917760004 /nfs/dbraw/zinc/76/00/04/917760004.db2.gz DALSLEGQSKEGIF-KRWDZBQOSA-N 0 0 402.319 4.465 20 5 HIBDRN Cc1cc(S(=O)(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000509166551 917881559 /nfs/dbraw/zinc/88/15/59/917881559.db2.gz LVIFIKBTLIWNJC-LJQANCHMSA-N 0 0 410.442 4.154 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000509176769 917889261 /nfs/dbraw/zinc/88/92/61/917889261.db2.gz BVFJAOOBZXRCHJ-LJQANCHMSA-N 0 0 410.442 4.154 20 5 HIBDRN O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000509294342 917975756 /nfs/dbraw/zinc/97/57/56/917975756.db2.gz OGSGNRUEPKWCGE-OAHLLOKOSA-N 0 0 422.338 4.343 20 5 HIBDRN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000509385568 918052395 /nfs/dbraw/zinc/05/23/95/918052395.db2.gz JZABKLHNPNOLKK-JGZYNSJSSA-N 0 0 419.485 4.037 20 5 HIBDRN O=C(c1cc(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000509460146 918110567 /nfs/dbraw/zinc/11/05/67/918110567.db2.gz VZEXACCMKLLCHM-KRWDZBQOSA-N 0 0 411.424 4.390 20 5 HIBDRN C[C@@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000509473741 918120997 /nfs/dbraw/zinc/12/09/97/918120997.db2.gz YDALZIFHIIHMIZ-ABAIWWIYSA-N 0 0 422.268 4.132 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCc2sccc2C1 ZINC000509486147 918131569 /nfs/dbraw/zinc/13/15/69/918131569.db2.gz WODPWBNYNRWXST-INIZCTEOSA-N 0 0 416.547 4.023 20 5 HIBDRN CC(=O)NCCN(Cc1ccsc1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000509491380 918137206 /nfs/dbraw/zinc/13/72/06/918137206.db2.gz HYCYBQFNGGVMJF-UHFFFAOYSA-N 0 0 423.494 4.030 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@](CO)(c3ccccc3)C2)nc1-c1ccc(F)cc1 ZINC000509505809 918152156 /nfs/dbraw/zinc/15/21/56/918152156.db2.gz GLPPEKKWUJGWKP-QHCPKHFHSA-N 0 0 407.445 4.326 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2cnn(C(F)F)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000509573062 918223486 /nfs/dbraw/zinc/22/34/86/918223486.db2.gz WJASVAQJMIPPHU-NSHDSACASA-N 0 0 402.361 4.007 20 5 HIBDRN CCCOc1ccc([C@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000509584492 918233046 /nfs/dbraw/zinc/23/30/46/918233046.db2.gz GPFQMKSYNUIKIT-AWEZNQCLSA-N 0 0 402.447 4.110 20 5 HIBDRN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CSc1cccc([N+](=O)[O-])c1 ZINC000509666458 918299177 /nfs/dbraw/zinc/29/91/77/918299177.db2.gz JOFPOQDWPFVGOQ-UHFFFAOYSA-N 0 0 415.254 4.419 20 5 HIBDRN CCOCc1ccccc1CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000509679243 918309503 /nfs/dbraw/zinc/30/95/03/918309503.db2.gz NVYDUJANUXOKRF-UHFFFAOYSA-N 0 0 407.264 4.132 20 5 HIBDRN CC(C)Cc1ccc([C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000509679422 918309838 /nfs/dbraw/zinc/30/98/38/918309838.db2.gz IJNSCEPYJFYIBN-OAQYLSRUSA-N 0 0 402.516 4.364 20 5 HIBDRN Nc1c(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000509711607 918338733 /nfs/dbraw/zinc/33/87/33/918338733.db2.gz BORZLZOFMLCVFV-ZDUSSCGKSA-N 0 0 407.270 4.229 20 5 HIBDRN Cc1ccc(C(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)cc1[N+](=O)[O-] ZINC000509746011 918363702 /nfs/dbraw/zinc/36/37/02/918363702.db2.gz YAHIYKQVNVTUQY-UHFFFAOYSA-N 0 0 422.441 4.073 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000509767896 918382228 /nfs/dbraw/zinc/38/22/28/918382228.db2.gz SPFUGYKKGPJVCO-UHFFFAOYSA-N 0 0 415.446 4.013 20 5 HIBDRN Cc1ccc(Cl)cc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000509834408 918436334 /nfs/dbraw/zinc/43/63/34/918436334.db2.gz JJEONWKQRMEDMC-KRWDZBQOSA-N 0 0 404.850 4.369 20 5 HIBDRN Cc1ccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1NC(=O)c1ccco1 ZINC000509952381 918548163 /nfs/dbraw/zinc/54/81/63/918548163.db2.gz NEIAPAQGYDTBNV-UHFFFAOYSA-N 0 0 405.410 4.342 20 5 HIBDRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000509981062 918568841 /nfs/dbraw/zinc/56/88/41/918568841.db2.gz DNMGYBGZAIEQHG-NSHDSACASA-N 0 0 423.238 4.243 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000510007204 918589431 /nfs/dbraw/zinc/58/94/31/918589431.db2.gz SZESIPKFDHSOHF-ZDUSSCGKSA-N 0 0 407.239 4.435 20 5 HIBDRN COc1ccccc1[C@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000510045693 918616696 /nfs/dbraw/zinc/61/66/96/918616696.db2.gz PZNMTPHQSDQBKX-ZDUSSCGKSA-N 0 0 419.275 4.304 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000510060271 918630245 /nfs/dbraw/zinc/63/02/45/918630245.db2.gz IRUPQPIHBJRBLQ-HNNXBMFYSA-N 0 0 421.247 4.086 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000510060273 918630443 /nfs/dbraw/zinc/63/04/43/918630443.db2.gz IRUPQPIHBJRBLQ-OAHLLOKOSA-N 0 0 421.247 4.086 20 5 HIBDRN Cc1cc(N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)nc(C)n1 ZINC000510123686 918682356 /nfs/dbraw/zinc/68/23/56/918682356.db2.gz FNPCSFIRPZFJBE-UHFFFAOYSA-N 0 0 409.515 4.052 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000510210757 918758144 /nfs/dbraw/zinc/75/81/44/918758144.db2.gz NARRNJUEGAACDX-UHFFFAOYSA-N 0 0 414.462 4.488 20 5 HIBDRN CCn1c2ccc(Br)cc2nc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000510221786 918765605 /nfs/dbraw/zinc/76/56/05/918765605.db2.gz JDMYELIAEQZMLO-UHFFFAOYSA-N 0 0 403.236 4.288 20 5 HIBDRN CCSc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000510227535 918770039 /nfs/dbraw/zinc/77/00/39/918770039.db2.gz JFCQOWQGGXCUTN-NSHDSACASA-N 0 0 407.879 4.176 20 5 HIBDRN Cc1ccc(OCc2cccc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)c2)cn1 ZINC000510295321 918813665 /nfs/dbraw/zinc/81/36/65/918813665.db2.gz ITOVAMZJQRKIRQ-MRXNPFEDSA-N 0 0 403.438 4.469 20 5 HIBDRN COC(=O)c1ccc(OCC(=O)c2ccc3c(c2)Cc2ccccc2-3)c([N+](=O)[O-])c1 ZINC000510345079 918843967 /nfs/dbraw/zinc/84/39/67/918843967.db2.gz WTJFPCPVPPYODM-UHFFFAOYSA-N 0 0 403.390 4.214 20 5 HIBDRN Cc1c(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cnn1CCC(C)C ZINC000510444574 918900544 /nfs/dbraw/zinc/90/05/44/918900544.db2.gz XNBFLYULIRYTJB-UHFFFAOYSA-N 0 0 409.284 4.469 20 5 HIBDRN Cc1cccc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)c1 ZINC000510462664 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CSc1ccc(C(=O)Nc2nnc(Cc3ccccc3F)s2)cc1[N+](=O)[O-] ZINC000517444045 924193378 /nfs/dbraw/zinc/19/33/78/924193378.db2.gz OTBUCQPUJVKWBT-UHFFFAOYSA-N 0 0 404.448 4.150 20 5 HIBDRN CNc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1[N+](=O)[O-] ZINC000517454401 924201450 /nfs/dbraw/zinc/20/14/50/924201450.db2.gz WQDUJIQDRZUEOD-UHFFFAOYSA-N 0 0 410.474 4.069 20 5 HIBDRN CNc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1[N+](=O)[O-] ZINC000517506713 924237159 /nfs/dbraw/zinc/23/71/59/924237159.db2.gz UNNWUVGCOWNFEF-UHFFFAOYSA-N 0 0 401.426 4.110 20 5 HIBDRN Cc1occc1-c1cc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n(CCO)n1 ZINC000517550745 924261835 /nfs/dbraw/zinc/26/18/35/924261835.db2.gz JVDQOTWNSFKTQD-UHFFFAOYSA-N 0 0 408.414 4.224 20 5 HIBDRN CC[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000517589432 926699499 /nfs/dbraw/zinc/69/94/99/926699499.db2.gz CEPIVBSFYWBYIH-MRXNPFEDSA-N 0 0 409.389 4.026 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000517671924 926776723 /nfs/dbraw/zinc/77/67/23/926776723.db2.gz JQEPTNHVKDAOMS-CQSZACIVSA-N 0 0 404.850 4.285 20 5 HIBDRN Cc1cc(Cl)ccc1OCCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000517719065 926813774 /nfs/dbraw/zinc/81/37/74/926813774.db2.gz ICBMPCNCNDHXNA-UHFFFAOYSA-N 0 0 415.833 4.009 20 5 HIBDRN CCOC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC)c1 ZINC000517802978 926843144 /nfs/dbraw/zinc/84/31/44/926843144.db2.gz IJXBZMMEHZVDBO-KRWDZBQOSA-N 0 0 421.837 4.073 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1 ZINC000517863435 926867702 /nfs/dbraw/zinc/86/77/02/926867702.db2.gz ALBXHIMKRKQCIL-UHFFFAOYSA-N 0 0 422.393 4.163 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCCCOc1ccc(Cl)cc1 ZINC000517909928 926887717 /nfs/dbraw/zinc/88/77/17/926887717.db2.gz SIZONUHRYUYQGZ-UHFFFAOYSA-N 0 0 419.286 4.039 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cc(CC(C)(C)C)nn3C)cc2[N+](=O)[O-])C1 ZINC000518120051 927030551 /nfs/dbraw/zinc/03/05/51/927030551.db2.gz OLVOXNJHIJFTAF-OAHLLOKOSA-N 0 0 413.522 4.406 20 5 HIBDRN COc1ccc2[nH]cc(CC(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)c2c1 ZINC000518228549 927090953 /nfs/dbraw/zinc/09/09/53/927090953.db2.gz RUJYHMYTYIHUTC-UHFFFAOYSA-N 0 0 404.220 4.028 20 5 HIBDRN CNC(=O)c1ccc(NC[C@@H](C)Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000518316619 927180165 /nfs/dbraw/zinc/18/01/65/927180165.db2.gz PGLHJKJAPZQOIP-LLVKDONJSA-N 0 0 424.320 4.310 20 5 HIBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000518319698 927184976 /nfs/dbraw/zinc/18/49/76/927184976.db2.gz ULRWGLABVSGNAT-MSOLQXFVSA-N 0 0 423.494 4.450 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(-c3cccc(OCc4cccnc4)c3)no2)cc1 ZINC000518339472 927204609 /nfs/dbraw/zinc/20/46/09/927204609.db2.gz JDUHDYKUAIRHGQ-UHFFFAOYSA-N 0 0 404.382 4.198 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(F)(c2ccccn2)CC1 ZINC000518429398 927263969 /nfs/dbraw/zinc/26/39/69/927263969.db2.gz JXEKKUYWSCXQRC-UHFFFAOYSA-N 0 0 409.870 4.223 20 5 HIBDRN CC(C)c1ccccc1OCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518428785 927264623 /nfs/dbraw/zinc/26/46/23/927264623.db2.gz XPBBDEUOVCBKQN-AWEZNQCLSA-N 0 0 406.866 4.334 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000518537437 927334032 /nfs/dbraw/zinc/33/40/32/927334032.db2.gz QSFNKRVRXVYTCZ-ZDUSSCGKSA-N 0 0 422.268 4.074 20 5 HIBDRN Cc1ccc(C)c(CSc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1 ZINC000518557342 927345074 /nfs/dbraw/zinc/34/50/74/927345074.db2.gz BRLYMXCQSPKTJJ-UHFFFAOYSA-N 0 0 406.529 4.288 20 5 HIBDRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000518556247 927345169 /nfs/dbraw/zinc/34/51/69/927345169.db2.gz DJDFDINVTFQBNN-UHFFFAOYSA-N 0 0 418.497 4.287 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(OC)ccc2OC(C)C)cc1OC ZINC000518557607 927345290 /nfs/dbraw/zinc/34/52/90/927345290.db2.gz LRPLUKMJTVHWNE-UHFFFAOYSA-N 0 0 404.419 4.050 20 5 HIBDRN Cc1ccc(NC(=O)c2cnn(-c3cccc(Br)c3)c2)cc1[N+](=O)[O-] ZINC000518557016 927345581 /nfs/dbraw/zinc/34/55/81/927345581.db2.gz VBXOZCGPOWNTCC-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000518577681 927357677 /nfs/dbraw/zinc/35/76/77/927357677.db2.gz BCYHIRUCEVCPKI-UHFFFAOYSA-N 0 0 405.838 4.084 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc(C)c1OC(F)F ZINC000518614483 927380122 /nfs/dbraw/zinc/38/01/22/927380122.db2.gz LSPAGMIWMYSQID-UHFFFAOYSA-N 0 0 402.357 4.455 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000518618858 927382382 /nfs/dbraw/zinc/38/23/82/927382382.db2.gz RHRFYMUJWFYPAP-OAHLLOKOSA-N 0 0 411.483 4.380 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)c1 ZINC000518617842 927382791 /nfs/dbraw/zinc/38/27/91/927382791.db2.gz PMDYUMDINKPSCV-UHFFFAOYSA-N 0 0 408.458 4.398 20 5 HIBDRN Cc1ccc(N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C2CCCCC2)nc1 ZINC000518647667 927401391 /nfs/dbraw/zinc/40/13/91/927401391.db2.gz ACWBYWOGMFSDMV-UHFFFAOYSA-N 0 0 405.458 4.463 20 5 HIBDRN COc1ccccc1CN(Cc1cccs1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000518647481 927401881 /nfs/dbraw/zinc/40/18/81/927401881.db2.gz FRILJWFOUUOLHL-UHFFFAOYSA-N 0 0 411.483 4.306 20 5 HIBDRN CCc1nc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cs1 ZINC000518650901 927405046 /nfs/dbraw/zinc/40/50/46/927405046.db2.gz JJSRSKSPLDMYPS-GJZGRUSLSA-N 0 0 416.547 4.368 20 5 HIBDRN O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000518657190 927410060 /nfs/dbraw/zinc/41/00/60/927410060.db2.gz IQALNQMVQVVRPJ-UHFFFAOYSA-N 0 0 402.406 4.408 20 5 HIBDRN O=C(NCCOCC1CC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000518658742 927411274 /nfs/dbraw/zinc/41/12/74/927411274.db2.gz CGKXRNVVHOFRSQ-UHFFFAOYSA-N 0 0 403.866 4.017 20 5 HIBDRN Cc1c(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000518703232 927446009 /nfs/dbraw/zinc/44/60/09/927446009.db2.gz ICFYWMSRQPMADF-UHFFFAOYSA-N 0 0 413.437 4.428 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000518785962 927491765 /nfs/dbraw/zinc/49/17/65/927491765.db2.gz GJDNZBAMBNNQQN-UHFFFAOYSA-N 0 0 410.817 4.077 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518791751 927494595 /nfs/dbraw/zinc/49/45/95/927494595.db2.gz AOVSPDFPTRHZJJ-UHFFFAOYSA-N 0 0 405.813 4.266 20 5 HIBDRN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)Sc1ccc(Br)cc1 ZINC000518819167 927514569 /nfs/dbraw/zinc/51/45/69/927514569.db2.gz ARPBTJKMXKXFRA-SECBINFHSA-N 0 0 401.307 4.329 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccccc1C(F)(F)F ZINC000518820092 927516033 /nfs/dbraw/zinc/51/60/33/927516033.db2.gz SMXGMGQSVQCUPE-SNVBAGLBSA-N 0 0 402.756 4.351 20 5 HIBDRN COc1ccc2oc([C@@H](C)NC(=O)NCCOc3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000518827908 927525583 /nfs/dbraw/zinc/52/55/83/927525583.db2.gz WRPFANGXUMIDRO-CQSZACIVSA-N 0 0 413.430 4.097 20 5 HIBDRN CCCc1n[nH]c(C(=O)NCC(C)(C)c2ccc(OCC(C)C)cc2)c1[N+](=O)[O-] ZINC000518867032 927575406 /nfs/dbraw/zinc/57/54/06/927575406.db2.gz WWBORMFLWISPIJ-UHFFFAOYSA-N 0 0 402.495 4.013 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000518889834 927600720 /nfs/dbraw/zinc/60/07/20/927600720.db2.gz PMUJQHZOKYBOOM-UHFFFAOYSA-N 0 0 421.453 4.149 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCCN(C)c1ccccc1 ZINC000518918540 927625789 /nfs/dbraw/zinc/62/57/89/927625789.db2.gz JYJTZMVGRSRIRI-HNNXBMFYSA-N 0 0 405.882 4.048 20 5 HIBDRN O=C(NC1(c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)CCC1)c1ccccc1 ZINC000518990636 927679453 /nfs/dbraw/zinc/67/94/53/927679453.db2.gz LURQGUGYELHNMR-NTMALXAHSA-N 0 0 408.389 4.097 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccncc2OCCC(C)(C)C)c1[N+](=O)[O-] ZINC000519022260 927698577 /nfs/dbraw/zinc/69/85/77/927698577.db2.gz KWBGIVXPFWEQBC-UHFFFAOYSA-N 0 0 403.504 4.457 20 5 HIBDRN Cc1c(NC(=O)C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000519044757 927721227 /nfs/dbraw/zinc/72/12/27/927721227.db2.gz PLBUNOLUMBDPIQ-FQEVSTJZSA-N 0 0 415.449 4.016 20 5 HIBDRN Cc1ccccc1OCCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000519117471 927785153 /nfs/dbraw/zinc/78/51/53/927785153.db2.gz RFGLWRLFSWQSBJ-UHFFFAOYSA-N 0 0 400.478 4.048 20 5 HIBDRN O=C1C[C@@H](Nc2cccc(COC3CCCCC3)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000519169569 927809689 /nfs/dbraw/zinc/80/96/89/927809689.db2.gz PCZAHHASJWOVBK-OAQYLSRUSA-N 0 0 423.469 4.188 20 5 HIBDRN O=C(NCCn1cnc2ccccc21)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000519177313 927812757 /nfs/dbraw/zinc/81/27/57/927812757.db2.gz AERXFARHPQIOKF-UHFFFAOYSA-N 0 0 402.410 4.167 20 5 HIBDRN CCOc1cccc([C@@H](C)NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 ZINC000519496596 927990723 /nfs/dbraw/zinc/99/07/23/927990723.db2.gz SFOZBVFSXOGZPB-OAHLLOKOSA-N 0 0 422.485 4.346 20 5 HIBDRN Cc1cc(C)n(-c2ccc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)cn2)n1 ZINC000519567526 928019046 /nfs/dbraw/zinc/01/90/46/928019046.db2.gz NJJFOINCCDVYJA-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN COC(=O)c1sc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)nc1C1CCCC1 ZINC000519681780 928049542 /nfs/dbraw/zinc/04/95/42/928049542.db2.gz QMYMGVVSVOHTHZ-NSHDSACASA-N 0 0 403.460 4.238 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000519727899 928059818 /nfs/dbraw/zinc/05/98/18/928059818.db2.gz BDMLETIQOQEZSY-UHFFFAOYSA-N 0 0 409.486 4.110 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000519883693 928116531 /nfs/dbraw/zinc/11/65/31/928116531.db2.gz CHDGIUUEYWOFIR-UHFFFAOYSA-N 0 0 410.810 4.376 20 5 HIBDRN CCn1ncc2ccc(NC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)cc21 ZINC000519931856 928165701 /nfs/dbraw/zinc/16/57/01/928165701.db2.gz VYKOJUMLNDAEAH-OAHLLOKOSA-N 0 0 407.474 4.453 20 5 HIBDRN O=[N+]([O-])c1c(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)nc2sccn21 ZINC000519946584 928178515 /nfs/dbraw/zinc/17/85/15/928178515.db2.gz ZOPNAPYSFIENFV-UHFFFAOYSA-N 0 0 408.365 4.121 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000519950956 928182521 /nfs/dbraw/zinc/18/25/21/928182521.db2.gz QLJMCICTXORDSO-SFHVURJKSA-N 0 0 406.442 4.368 20 5 HIBDRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000519975668 928202611 /nfs/dbraw/zinc/20/26/11/928202611.db2.gz BCTWEINOVABSHB-JOCHJYFZSA-N 0 0 424.428 4.222 20 5 HIBDRN COCCOc1c(Cl)cccc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000520029373 928251909 /nfs/dbraw/zinc/25/19/09/928251909.db2.gz UMJCBXUKTRFYDA-CYBMUJFWSA-N 0 0 407.854 4.021 20 5 HIBDRN CCOc1cc(NC(=O)NCCc2ccc3ccccc3n2)c([N+](=O)[O-])cc1OCC ZINC000520128935 928327317 /nfs/dbraw/zinc/32/73/17/928327317.db2.gz ZCKUPBYTUADXKJ-UHFFFAOYSA-N 0 0 424.457 4.305 20 5 HIBDRN CCCN([C@@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000520156823 928349947 /nfs/dbraw/zinc/34/99/47/928349947.db2.gz GGBFTMZPGPHXCW-ZDUSSCGKSA-N 0 0 412.895 4.419 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000520222741 928397558 /nfs/dbraw/zinc/39/75/58/928397558.db2.gz 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CCNc1ccc(Cl)cc1-c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000520458224 928576429 /nfs/dbraw/zinc/57/64/29/928576429.db2.gz MWTZRKNTZHNRDJ-UHFFFAOYSA-N 0 0 418.837 4.338 20 5 HIBDRN COc1cc(F)cc2sc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)nc21 ZINC000520468127 928584076 /nfs/dbraw/zinc/58/40/76/928584076.db2.gz TUXJXHOZVYCCSK-VIFPVBQESA-N 0 0 407.448 4.472 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000520473123 928587257 /nfs/dbraw/zinc/58/72/57/928587257.db2.gz DZRZCCVOOSCDRX-ZDUSSCGKSA-N 0 0 404.854 4.040 20 5 HIBDRN CC(C)OCc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000520498344 928601614 /nfs/dbraw/zinc/60/16/14/928601614.db2.gz AOHYUSFXYIERMF-CQSZACIVSA-N 0 0 406.866 4.257 20 5 HIBDRN O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000520676562 928723848 /nfs/dbraw/zinc/72/38/48/928723848.db2.gz LYVKPOISKMRXOA-KRWDZBQOSA-N 0 0 407.392 4.084 20 5 HIBDRN O=[N+]([O-])c1ccc(OCCSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 ZINC000520688192 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/nfs/dbraw/zinc/87/47/54/930874754.db2.gz NOHLODNFPKMIAH-UHFFFAOYSA-N 0 0 419.437 4.466 20 5 HIBDRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000531214742 930968851 /nfs/dbraw/zinc/96/88/51/930968851.db2.gz VLDRQPNTRFIOMD-UHFFFAOYSA-N 0 0 424.310 4.113 20 5 HIBDRN CC(C)Oc1cc(Br)cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000531216641 930970494 /nfs/dbraw/zinc/97/04/94/930970494.db2.gz DAYXUKWGHDMUGL-UHFFFAOYSA-N 0 0 423.219 4.126 20 5 HIBDRN Cc1ccc(C(=O)Nc2nccn2Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000531280686 930998243 /nfs/dbraw/zinc/99/82/43/930998243.db2.gz YMKJLTQPHHURBR-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OCCC(C)C)cc2)cc1[N+](=O)[O-] ZINC000531452559 931063144 /nfs/dbraw/zinc/06/31/44/931063144.db2.gz SHYZOJHGFKZJFG-INIZCTEOSA-N 0 0 413.474 4.144 20 5 HIBDRN COc1ccc(CC(=O)N2CCC[C@H]2c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000531459227 931066082 /nfs/dbraw/zinc/06/60/82/931066082.db2.gz JZWYLSSFFUORJX-INIZCTEOSA-N 0 0 419.275 4.272 20 5 HIBDRN COc1cc(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)cc([N+](=O)[O-])c1OC ZINC000531541607 931097639 /nfs/dbraw/zinc/09/76/39/931097639.db2.gz LHDGJHZPVKDPDK-UHFFFAOYSA-N 0 0 416.449 4.379 20 5 HIBDRN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531633874 931133967 /nfs/dbraw/zinc/13/39/67/931133967.db2.gz KAOFNYRLBHZNLM-UHFFFAOYSA-N 0 0 413.437 4.115 20 5 HIBDRN O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000531774251 931191219 /nfs/dbraw/zinc/19/12/19/931191219.db2.gz XUQPYGSPVKHGRE-UHFFFAOYSA-N 0 0 412.446 4.371 20 5 HIBDRN C[C@@H](Cc1ccccc1Br)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000531849593 931219824 /nfs/dbraw/zinc/21/98/24/931219824.db2.gz YMIGPACGPKERMG-NSHDSACASA-N 0 0 402.248 4.200 20 5 HIBDRN CC(C)N(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1cccc(C(F)(F)F)c1 ZINC000531923454 931246838 /nfs/dbraw/zinc/24/68/38/931246838.db2.gz KWSPXQCCUUYROA-UHFFFAOYSA-N 0 0 410.348 4.440 20 5 HIBDRN O=C(NCCc1ccncc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000531928424 931249259 /nfs/dbraw/zinc/24/92/59/931249259.db2.gz HQCPYXGNZTZEOZ-UHFFFAOYSA-N 0 0 410.861 4.228 20 5 HIBDRN CCn1c(S[C@@H](C(=O)OC)c2ccccc2F)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000532018556 931287373 /nfs/dbraw/zinc/28/73/73/931287373.db2.gz PPKQQLUYLZRGGT-MRXNPFEDSA-N 0 0 416.434 4.019 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000532058190 931300148 /nfs/dbraw/zinc/30/01/48/931300148.db2.gz KDVQUNUNBSMUBA-UHFFFAOYSA-N 0 0 400.406 4.090 20 5 HIBDRN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000532087382 931307633 /nfs/dbraw/zinc/30/76/33/931307633.db2.gz KKTAGRUZAOOVNU-INIZCTEOSA-N 0 0 402.756 4.389 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000532576720 931537517 /nfs/dbraw/zinc/53/75/17/931537517.db2.gz JLYYQEYOVZTEMT-SFHVURJKSA-N 0 0 405.907 4.285 20 5 HIBDRN COc1cc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1OC(F)F ZINC000532627777 931560369 /nfs/dbraw/zinc/56/03/69/931560369.db2.gz SFYHATDEHYKWIE-UHFFFAOYSA-N 0 0 421.400 4.079 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000532642107 931564510 /nfs/dbraw/zinc/56/45/10/931564510.db2.gz SFGVSFWRBFQUCW-UHFFFAOYSA-N 0 0 406.486 4.354 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC000532729998 931614496 /nfs/dbraw/zinc/61/44/96/931614496.db2.gz RRYVDJCRGPNZFM-QHCPKHFHSA-N 0 0 417.465 4.347 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(F)c1I ZINC000532736696 931618076 /nfs/dbraw/zinc/61/80/76/931618076.db2.gz UXXBTPKVRJOHOG-UHFFFAOYSA-N 0 0 414.174 4.208 20 5 HIBDRN COc1ccc(-c2ccc(CNc3cccc(N4CCCNC4=O)c3)o2)c([N+](=O)[O-])c1 ZINC000532745056 931620168 /nfs/dbraw/zinc/62/01/68/931620168.db2.gz SKTFNCSLWXKSTJ-UHFFFAOYSA-N 0 0 422.441 4.395 20 5 HIBDRN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000532817159 931638750 /nfs/dbraw/zinc/63/87/50/931638750.db2.gz ZGQIKLFPPRSQGP-XUVXKRRUSA-N 0 0 410.495 4.433 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000532826963 931643863 /nfs/dbraw/zinc/64/38/63/931643863.db2.gz BUVCELUWIVCWRV-MRXNPFEDSA-N 0 0 417.893 4.286 20 5 HIBDRN CCN(CCc1nccs1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000532838630 931650099 /nfs/dbraw/zinc/65/00/99/931650099.db2.gz YZDUCPZHYMCPIG-UHFFFAOYSA-N 0 0 410.499 4.368 20 5 HIBDRN COc1cc(CNc2ccc(C)c(C(N)=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000532887167 931678924 /nfs/dbraw/zinc/67/89/24/931678924.db2.gz BXEBMWZRYNSVNX-UHFFFAOYSA-N 0 0 421.453 4.202 20 5 HIBDRN COc1cc(CNc2cccc(COc3ccc4c(c3)OCO4)c2)c([N+](=O)[O-])cc1O ZINC000532890176 931681700 /nfs/dbraw/zinc/68/17/00/931681700.db2.gz JBZJGIVSDSKCNY-UHFFFAOYSA-N 0 0 424.409 4.229 20 5 HIBDRN O=C(Nc1cc(Br)ccc1O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000532900532 931685348 /nfs/dbraw/zinc/68/53/48/931685348.db2.gz SOXQUUOYCPFJEG-UHFFFAOYSA-N 0 0 416.025 4.078 20 5 HIBDRN O=C(Cc1cc(F)ccc1Br)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000532913856 931690245 /nfs/dbraw/zinc/69/02/45/931690245.db2.gz QCVKTRJNLAHAEE-UHFFFAOYSA-N 0 0 419.153 4.279 20 5 HIBDRN O=C(Nc1ccccc1)c1cccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000532914147 931690639 /nfs/dbraw/zinc/69/06/39/931690639.db2.gz HXVRKAMATOHLNC-UHFFFAOYSA-N 0 0 416.481 4.169 20 5 HIBDRN C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000533016753 931737228 /nfs/dbraw/zinc/73/72/28/931737228.db2.gz WOXJHHZXWJMINB-UKRRQHHQSA-N 0 0 404.850 4.274 20 5 HIBDRN Cc1ccc2c(c1)[nH]cc2C1=CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000533029401 931746530 /nfs/dbraw/zinc/74/65/30/931746530.db2.gz DKHPIRSLBUEEAN-UHFFFAOYSA-N 0 0 404.470 4.421 20 5 HIBDRN CN(C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000533147266 931785505 /nfs/dbraw/zinc/78/55/05/931785505.db2.gz HEGYDWCOXDPUMZ-UHFFFAOYSA-N 0 0 407.348 4.017 20 5 HIBDRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000533148341 931786817 /nfs/dbraw/zinc/78/68/17/931786817.db2.gz HIVIEWSMYMCYBL-UHFFFAOYSA-N 0 0 405.414 4.457 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000533275089 931825166 /nfs/dbraw/zinc/82/51/66/931825166.db2.gz NOVYMTWNUAEKHL-LJQANCHMSA-N 0 0 421.856 4.098 20 5 HIBDRN CN(Cc1ccon1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000533288877 931828929 /nfs/dbraw/zinc/82/89/29/931828929.db2.gz FTXZHYOFXAADMD-SFHVURJKSA-N 0 0 400.822 4.048 20 5 HIBDRN Cc1cccc([C@H]2CCCN2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000533346434 931843506 /nfs/dbraw/zinc/84/35/06/931843506.db2.gz COKKWUXOIWXZBR-LJQANCHMSA-N 0 0 423.498 4.197 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000533394793 931856847 /nfs/dbraw/zinc/85/68/47/931856847.db2.gz CDQFTOMZWNUFJZ-UHFFFAOYSA-N 0 0 423.513 4.007 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)cc([N+](=O)[O-])c1OC ZINC000533449631 931873279 /nfs/dbraw/zinc/87/32/79/931873279.db2.gz RQWYIEJODVBIOL-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000533470124 931877239 /nfs/dbraw/zinc/87/72/39/931877239.db2.gz DTHJFXHPPXAXDJ-UHFFFAOYSA-N 0 0 423.391 4.413 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(N(C)c2ccccc2)CC1 ZINC000533484850 931881691 /nfs/dbraw/zinc/88/16/91/931881691.db2.gz AEXVMSILDQJOMO-OAHLLOKOSA-N 0 0 416.909 4.176 20 5 HIBDRN COC(=O)[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000533513283 931890800 /nfs/dbraw/zinc/89/08/00/931890800.db2.gz OQBWZFJVTAHFPR-HNNXBMFYSA-N 0 0 413.655 4.015 20 5 HIBDRN CN(C(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000533603295 931917416 /nfs/dbraw/zinc/91/74/16/931917416.db2.gz FCEVTZONRLCEIG-UHFFFAOYSA-N 0 0 423.400 4.028 20 5 HIBDRN O=[N+]([O-])c1ccn(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1 ZINC000533675467 931964081 /nfs/dbraw/zinc/96/40/81/931964081.db2.gz OVKVSNMFYRCMDE-QGZVFWFLSA-N 0 0 422.268 4.265 20 5 HIBDRN CN1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533681005 931967350 /nfs/dbraw/zinc/96/73/50/931967350.db2.gz JKEXEHJELWPIQB-WBVHZDCISA-N 0 0 412.248 4.216 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)c([N+](=O)[O-])cc1OC ZINC000533724892 931991624 /nfs/dbraw/zinc/99/16/24/931991624.db2.gz GSWFJIXMVHMAFK-LBPRGKRZSA-N 0 0 407.492 4.334 20 5 HIBDRN CCOc1cc(C(=O)N(C)Cc2cccc(OC(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000533739919 932001972 /nfs/dbraw/zinc/00/19/72/932001972.db2.gz LYRAXLYIEZDXED-UHFFFAOYSA-N 0 0 402.447 4.062 20 5 HIBDRN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000533752456 932009748 /nfs/dbraw/zinc/00/97/48/932009748.db2.gz YZRWQCAJEXYTHO-INIZCTEOSA-N 0 0 403.442 4.039 20 5 HIBDRN CC[C@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000533772225 932025728 /nfs/dbraw/zinc/02/57/28/932025728.db2.gz QEJGUNIKWDCEQT-GHTZIAJQSA-N 0 0 422.489 4.301 20 5 HIBDRN O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533805460 932039517 /nfs/dbraw/zinc/03/95/17/932039517.db2.gz LTZADKALYUTDIN-NVXWUHKLSA-N 0 0 405.376 4.237 20 5 HIBDRN C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1nc2ccccc2n1C(F)F ZINC000533825087 932047743 /nfs/dbraw/zinc/04/77/43/932047743.db2.gz BUPRZAROJKDPHR-LBPRGKRZSA-N 0 0 415.400 4.169 20 5 HIBDRN Cc1cc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)ccc1OCC(F)(F)F ZINC000533856851 932064741 /nfs/dbraw/zinc/06/47/41/932064741.db2.gz DIQBYCGYUDEMQL-UHFFFAOYSA-N 0 0 409.364 4.435 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCc2c1cccc2Br ZINC000533894754 932086435 /nfs/dbraw/zinc/08/64/35/932086435.db2.gz GVFGLHXCLYBWRB-GOSISDBHSA-N 0 0 414.259 4.185 20 5 HIBDRN C[C@H](NC(=O)c1cc(Br)cc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000533899240 932088860 /nfs/dbraw/zinc/08/88/60/932088860.db2.gz FVKLMSPMJPJAGY-NSHDSACASA-N 0 0 400.232 4.397 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccnc1Oc1cccc(F)c1 ZINC000533924928 932103317 /nfs/dbraw/zinc/10/33/17/932103317.db2.gz LFLMFXONUJLYOM-UHFFFAOYSA-N 0 0 420.400 4.261 20 5 HIBDRN CC[C@@H](C[C@H](C)CO)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000533975038 932151434 /nfs/dbraw/zinc/15/14/34/932151434.db2.gz LTFCWCGQDGRFHK-FZMZJTMJSA-N 0 0 409.533 4.038 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000533984401 932161867 /nfs/dbraw/zinc/16/18/67/932161867.db2.gz BZHBDBSRLXDGIX-UHFFFAOYSA-N 0 0 413.437 4.173 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000533997654 932177233 /nfs/dbraw/zinc/17/72/33/932177233.db2.gz MHAFCWJYJSGJFN-CZUORRHYSA-N 0 0 420.453 4.261 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H](c1cccnc1)C1CC1 ZINC000534002591 932185614 /nfs/dbraw/zinc/18/56/14/932185614.db2.gz BWZIBRWPRAAKFI-SFHVURJKSA-N 0 0 408.380 4.078 20 5 HIBDRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000534010590 932192353 /nfs/dbraw/zinc/19/23/53/932192353.db2.gz ROXBURSVVOSZMH-UHFFFAOYSA-N 0 0 411.418 4.218 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)c1[nH]c2ccc(Br)cc2c1Cl ZINC000534033691 932212417 /nfs/dbraw/zinc/21/24/17/932212417.db2.gz VJMJJRPVDILSGR-UHFFFAOYSA-N 0 0 422.666 4.465 20 5 HIBDRN C[C@H](C1CC1)N(C(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000534059237 932238211 /nfs/dbraw/zinc/23/82/11/932238211.db2.gz LVCRAZZXTIIGNO-CYBMUJFWSA-N 0 0 401.488 4.273 20 5 HIBDRN COc1ccc(Cl)cc1C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534061427 932240722 /nfs/dbraw/zinc/24/07/22/932240722.db2.gz GNDHEWUAOMYPCN-HHHXNRCGSA-N 0 0 406.847 4.361 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)CCCOc3ccc(F)cc3)co2)cc1 ZINC000534061920 932241240 /nfs/dbraw/zinc/24/12/40/932241240.db2.gz HENQQCOXKYJOAD-NDEPHWFRSA-N 0 0 404.419 4.107 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3noc(C4CCCCC4)n3)co2)cc1 ZINC000534063358 932241930 /nfs/dbraw/zinc/24/19/30/932241930.db2.gz FJKSCNYPIINVBZ-LJAQVGFWSA-N 0 0 416.459 4.129 20 5 HIBDRN O=c1[nH]c2ccccc2n1C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000534074167 932253559 /nfs/dbraw/zinc/25/35/59/932253559.db2.gz ADIJGSOVPHTIMZ-UHFFFAOYSA-N 0 0 419.441 4.142 20 5 HIBDRN CS(=O)(=O)c1ccc(-c2nc(CSCc3ccccc3[N+](=O)[O-])co2)cc1 ZINC000534132527 932295031 /nfs/dbraw/zinc/29/50/31/932295031.db2.gz JYIZKHUDDIFEJA-UHFFFAOYSA-N 0 0 404.469 4.087 20 5 HIBDRN O=C(c1cccc([C@@H]2CCOC2)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000534176500 932316863 /nfs/dbraw/zinc/31/68/63/932316863.db2.gz FMSGLJVOIBAILT-QGZVFWFLSA-N 0 0 408.376 4.303 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000534212145 932334116 /nfs/dbraw/zinc/33/41/16/932334116.db2.gz AQZMMDXOTHYCNT-OWCLPIDISA-N 0 0 420.531 4.339 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000534215219 932336904 /nfs/dbraw/zinc/33/69/04/932336904.db2.gz KMWNITBETNRVDC-LLVKDONJSA-N 0 0 424.425 4.019 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000534223497 932342567 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4.230 20 5 HIBDRN Cc1c(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000534386509 932412324 /nfs/dbraw/zinc/41/23/24/932412324.db2.gz BZHCAEFETRAQDL-GOSISDBHSA-N 0 0 418.291 4.441 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000534388195 932412830 /nfs/dbraw/zinc/41/28/30/932412830.db2.gz GRDJSHYOMQRBTP-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COCC(C)(C)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000534472561 932499645 /nfs/dbraw/zinc/49/96/45/932499645.db2.gz DZGSHCSPVHJTTF-UHFFFAOYSA-N 0 0 410.829 4.468 20 5 HIBDRN NC(=O)[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(Br)c1 ZINC000534495767 932531008 /nfs/dbraw/zinc/53/10/08/932531008.db2.gz QZTGLLNUFGSYFR-CYBMUJFWSA-N 0 0 418.169 4.015 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000534534852 932549068 /nfs/dbraw/zinc/54/90/68/932549068.db2.gz VUIJPVYPCXBFTM-MRXNPFEDSA-N 0 0 406.467 4.464 20 5 HIBDRN O=C(Nc1cccc(OCc2cscn2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534570784 932573087 /nfs/dbraw/zinc/57/30/87/932573087.db2.gz WMHXSEXWLXIWEQ-UHFFFAOYSA-N 0 0 410.455 4.221 20 5 HIBDRN CC(=O)CCc1ccc2oc(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c(C)c2c1 ZINC000534576529 932576076 /nfs/dbraw/zinc/57/60/76/932576076.db2.gz VEDFFDHWWOBVRA-UHFFFAOYSA-N 0 0 406.438 4.370 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)nc1C(C)C ZINC000534590987 932580437 /nfs/dbraw/zinc/58/04/37/932580437.db2.gz AZRHVYKTNJPNDN-UHFFFAOYSA-N 0 0 411.867 4.186 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000534625294 932606857 /nfs/dbraw/zinc/60/68/57/932606857.db2.gz VHIJURGVSCJQNI-UHFFFAOYSA-N 0 0 410.430 4.444 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000534644564 932616603 /nfs/dbraw/zinc/61/66/03/932616603.db2.gz STSSPJBVLADJLH-HSZRJFAPSA-N 0 0 400.438 4.052 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000534661424 932631893 /nfs/dbraw/zinc/63/18/93/932631893.db2.gz ICKXOQGFHPPTCY-UHFFFAOYSA-N 0 0 411.285 4.245 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2csc(C3CC3)n2)CC1 ZINC000534677491 932646861 /nfs/dbraw/zinc/64/68/61/932646861.db2.gz CBOVZVRCLJPFAL-UHFFFAOYSA-N 0 0 412.437 4.270 20 5 HIBDRN C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc(-c2ccncc2)cs1 ZINC000534679435 932648546 /nfs/dbraw/zinc/64/85/46/932648546.db2.gz XUBUNKYIGCMCKU-GFCCVEGCSA-N 0 0 407.455 4.015 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000534692781 932663823 /nfs/dbraw/zinc/66/38/23/932663823.db2.gz RWLIVYCBXPZURX-SBUREZEXSA-N 0 0 407.470 4.211 20 5 HIBDRN COc1ccc2nc(C3CC3)cc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)c2c1 ZINC000534746287 932718645 /nfs/dbraw/zinc/71/86/45/932718645.db2.gz CKWJJOCLJXYQDE-UHFFFAOYSA-N 0 0 403.398 4.158 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)cc1[N+](=O)[O-] ZINC000534747801 932720818 /nfs/dbraw/zinc/72/08/18/932720818.db2.gz MLPUWAPWABENMI-UHFFFAOYSA-N 0 0 416.441 4.274 20 5 HIBDRN CCOc1ccc(F)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1F ZINC000534771957 932752064 /nfs/dbraw/zinc/75/20/64/932752064.db2.gz MDENADQGIXSKSX-UHFFFAOYSA-N 0 0 405.401 4.127 20 5 HIBDRN O=C1c2ccccc2C(=O)N1CCCSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534793058 932773654 /nfs/dbraw/zinc/77/36/54/932773654.db2.gz NFGSGBIMCUBTPK-UHFFFAOYSA-N 0 0 423.450 4.169 20 5 HIBDRN CCOc1cc(C(=O)Nc2cnn(CC(C)C)c2C(F)F)c([N+](=O)[O-])cc1OC ZINC000534854474 932807870 /nfs/dbraw/zinc/80/78/70/932807870.db2.gz ANLDMWNGOXXRMK-UHFFFAOYSA-N 0 0 412.393 4.045 20 5 HIBDRN Cc1c(CSCc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)cccc1[N+](=O)[O-] ZINC000534868230 932814918 /nfs/dbraw/zinc/81/49/18/932814918.db2.gz VWYZRUFUOZKZNL-UHFFFAOYSA-N 0 0 418.496 4.395 20 5 HIBDRN NC(=O)C1CCN(c2cccc(Nc3ccc([N+](=O)[O-])c(-c4ccccc4)n3)c2)CC1 ZINC000534880106 932821099 /nfs/dbraw/zinc/82/10/99/932821099.db2.gz OBPVXFGLCHKGQC-UHFFFAOYSA-N 0 0 417.469 4.102 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000534919273 932837862 /nfs/dbraw/zinc/83/78/62/932837862.db2.gz YNGKIPGIRUOFJQ-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(F)cc3F)CC2)cc1SC ZINC000534927965 932842623 /nfs/dbraw/zinc/84/26/23/932842623.db2.gz WTGIOKNAWVNXRQ-UHFFFAOYSA-N 0 0 408.426 4.065 20 5 HIBDRN CCC(=O)c1cccc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000535029583 932888574 /nfs/dbraw/zinc/88/85/74/932888574.db2.gz DGKSOTRUOWFGSX-UHFFFAOYSA-N 0 0 424.194 4.044 20 5 HIBDRN CCCOc1cc(NC(=O)c2cn(C)nc2C(F)F)c([N+](=O)[O-])cc1OCCC ZINC000535090259 932903853 /nfs/dbraw/zinc/90/38/53/932903853.db2.gz VXNSRVJWHJLWBI-UHFFFAOYSA-N 0 0 412.393 4.096 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(NCc3ccc(CO)c(F)c3)c([N+](=O)[O-])c2)cc1 ZINC000535248779 933035811 /nfs/dbraw/zinc/03/58/11/933035811.db2.gz VOXZLRFXUMIFBY-UHFFFAOYSA-N 0 0 409.417 4.399 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535250350 933036294 /nfs/dbraw/zinc/03/62/94/933036294.db2.gz FDONXGZATRHNKJ-OAHLLOKOSA-N 0 0 415.515 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O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000535408022 933121031 /nfs/dbraw/zinc/12/10/31/933121031.db2.gz YLSFPKPOSHTIIX-OAHLLOKOSA-N 0 0 412.421 4.007 20 5 HIBDRN CC[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000535408609 933121930 /nfs/dbraw/zinc/12/19/30/933121930.db2.gz GCSQKSSEIRPTHB-GFCCVEGCSA-N 0 0 402.398 4.063 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(F)c(F)cc1Br ZINC000535449632 933142316 /nfs/dbraw/zinc/14/23/16/933142316.db2.gz GYWOEOQHOJVJEE-UHFFFAOYSA-N 0 0 410.174 4.298 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] ZINC000535452175 933144923 /nfs/dbraw/zinc/14/49/23/933144923.db2.gz SHSHJCRBHIXTKU-LLVKDONJSA-N 0 0 413.257 4.036 20 5 HIBDRN CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)c21 ZINC000535459920 933149840 /nfs/dbraw/zinc/14/98/40/933149840.db2.gz QXIPLNRASOZZGF-UHFFFAOYSA-N 0 0 406.402 4.260 20 5 HIBDRN Cc1cc(S(C)(=O)=O)cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c1C 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HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000539325646 938841651 /nfs/dbraw/zinc/84/16/51/938841651.db2.gz JCBGFYLZWKWEOQ-CEXHIMGSSA-N 0 0 406.529 4.324 20 5 HIBDRN CCOc1ccc(NC(=O)CN[C@@H](c2ccc(F)cc2F)C(C)C)c([N+](=O)[O-])c1 ZINC000539326507 938841883 /nfs/dbraw/zinc/84/18/83/938841883.db2.gz OJYMAVZLESGYHR-HXUWFJFHSA-N 0 0 407.417 4.197 20 5 HIBDRN CN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539352163 938846879 /nfs/dbraw/zinc/84/68/79/938846879.db2.gz GHPCFTYQLJKQRE-KRWDZBQOSA-N 0 0 415.858 4.338 20 5 HIBDRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539357430 938847512 /nfs/dbraw/zinc/84/75/12/938847512.db2.gz ZDJCFZYBCSIHNV-LLVKDONJSA-N 0 0 419.409 4.427 20 5 HIBDRN CC[C@H]1Oc2cc([C@@H](C)NCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2NC1=O ZINC000539360016 938848080 /nfs/dbraw/zinc/84/80/80/938848080.db2.gz MVPWBUKQZMCNHX-BFUOFWGJSA-N 0 0 422.441 4.210 20 5 HIBDRN 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O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cnn(Cc2ccccc2)c1 ZINC000541283571 939489246 /nfs/dbraw/zinc/48/92/46/939489246.db2.gz DPKWDPZMQJXTTG-UHFFFAOYSA-N 0 0 402.863 4.224 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000541291774 939489579 /nfs/dbraw/zinc/48/95/79/939489579.db2.gz ZBHHBGGFHXNFLG-UHFFFAOYSA-N 0 0 424.360 4.394 20 5 HIBDRN CCCOc1ccc([C@H](C)NC(=O)CSc2ccccc2[N+](=O)[O-])cc1OC ZINC000541292816 939489634 /nfs/dbraw/zinc/48/96/34/939489634.db2.gz BULHMVORJOIXDN-AWEZNQCLSA-N 0 0 404.488 4.362 20 5 HIBDRN Cc1ccc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1-c1nnnn1C1CC1 ZINC000541292334 939489658 /nfs/dbraw/zinc/48/96/58/939489658.db2.gz LSXINBRPAGDOFK-UHFFFAOYSA-N 0 0 417.429 4.159 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000541292367 939489670 /nfs/dbraw/zinc/48/96/70/939489670.db2.gz NWNBVMDDWBCJTQ-UHFFFAOYSA-N 0 0 421.478 4.256 20 5 HIBDRN CCCOc1ccc([C@@H](C)NC(=O)CSc2ccccc2[N+](=O)[O-])cc1OC ZINC000541292817 939489676 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MSPPZKFMVMMPHX-NEPJUHHUSA-N 0 0 417.512 4.245 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000543142474 939967923 /nfs/dbraw/zinc/96/79/23/939967923.db2.gz FZJPFNSCUXQGCY-KBPBESRZSA-N 0 0 407.289 4.122 20 5 HIBDRN CC(=O)c1cccc(CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000563756602 945286155 /nfs/dbraw/zinc/28/61/55/945286155.db2.gz ZCKONRLXHNTOHB-IYBDPMFKSA-N 0 0 409.486 4.210 20 5 HIBDRN COc1cc(CSc2nc3nc(C)ccc3o2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543166376 939983107 /nfs/dbraw/zinc/98/31/07/939983107.db2.gz QFJAIXHSXMJAPF-UHFFFAOYSA-N 0 0 411.386 4.384 20 5 HIBDRN Cc1ccc(-c2nnco2)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543255658 940009814 /nfs/dbraw/zinc/00/98/14/940009814.db2.gz SVAFQBRABXUELY-UHFFFAOYSA-N 0 0 404.835 4.337 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543295466 940020782 /nfs/dbraw/zinc/02/07/82/940020782.db2.gz GPQVPOOWKMKTRD-BBATYDOGSA-N 0 0 412.870 4.372 20 5 HIBDRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000543304220 940023458 /nfs/dbraw/zinc/02/34/58/940023458.db2.gz XVLJADQAPOWJME-DENIHFKCSA-N 0 0 405.454 4.313 20 5 HIBDRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000543331688 940033098 /nfs/dbraw/zinc/03/30/98/940033098.db2.gz CUBUJAKXVTYVKF-DENIHFKCSA-N 0 0 418.453 4.183 20 5 HIBDRN CCc1ccc([C@@H](NCc2cccnc2-n2cccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403770 940053059 /nfs/dbraw/zinc/05/30/59/940053059.db2.gz UKFFUQSNLMRAFD-NRFANRHFSA-N 0 0 403.442 4.210 20 5 HIBDRN Cc1c(Br)c(NCCc2nc(-c3ccncc3)cs2)ncc1[N+](=O)[O-] ZINC000543435706 940063830 /nfs/dbraw/zinc/06/38/30/940063830.db2.gz VDFSCIOKFRBSPL-UHFFFAOYSA-N 0 0 420.292 4.234 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543450673 940067028 /nfs/dbraw/zinc/06/70/28/940067028.db2.gz QUPKFEBZWNZTBN-OAHLLOKOSA-N 0 0 421.428 4.406 20 5 HIBDRN C[C@@H](C(=O)NCc1ccc(OC2CCCCC2)nc1)c1ccc([N+](=O)[O-])cc1F ZINC000543464224 940072478 /nfs/dbraw/zinc/07/24/78/940072478.db2.gz GFJWNLKDRLCRDX-CQSZACIVSA-N 0 0 401.438 4.260 20 5 HIBDRN CCOc1cc2c(cc1OCC)CN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000543473078 940075809 /nfs/dbraw/zinc/07/58/09/940075809.db2.gz VFYMBYCPTUJLIM-AWEZNQCLSA-N 0 0 416.449 4.220 20 5 HIBDRN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000543490703 940081944 /nfs/dbraw/zinc/08/19/44/940081944.db2.gz IGEXNHMTMFEGQZ-YOEHRIQHSA-N 0 0 423.238 4.147 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543493218 940082838 /nfs/dbraw/zinc/08/28/38/940082838.db2.gz FDEXJAGKXIDINL-AXHNFQJDSA-N 0 0 404.463 4.251 20 5 HIBDRN CCC(C)(C)OCc1ccccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000543493448 940082848 /nfs/dbraw/zinc/08/28/48/940082848.db2.gz STENLKKERZIXDG-UHFFFAOYSA-N 0 0 409.446 4.133 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCOc3ncc(Br)cc32)cc1[N+](=O)[O-] ZINC000543496093 940084585 /nfs/dbraw/zinc/08/45/85/940084585.db2.gz WDEOMYXFQNHNQH-UHFFFAOYSA-N 0 0 420.263 4.089 20 5 HIBDRN C[C@@H](C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543528711 940096388 /nfs/dbraw/zinc/09/63/88/940096388.db2.gz NCLKZKBYCWLRTH-UKRRQHHQSA-N 0 0 402.397 4.098 20 5 HIBDRN Cc1ccc(NCCCNC(=O)Nc2csc(-c3ccccn3)n2)c([N+](=O)[O-])c1 ZINC000543616192 940132874 /nfs/dbraw/zinc/13/28/74/940132874.db2.gz AQFSEKFUPJQQQH-UHFFFAOYSA-N 0 0 412.475 4.045 20 5 HIBDRN CS(=O)(=O)N1CCc2c1cccc2N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000543636217 940144512 /nfs/dbraw/zinc/14/45/12/940144512.db2.gz GYMGEUAWAFRSRO-JOCHJYFZSA-N 0 0 423.494 4.118 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000543637538 940144924 /nfs/dbraw/zinc/14/49/24/940144924.db2.gz QFHWBUZOTZWCEA-OAHLLOKOSA-N 0 0 402.472 4.007 20 5 HIBDRN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)Oc1ccccc1Br ZINC000543641461 940146253 /nfs/dbraw/zinc/14/62/53/940146253.db2.gz HPEIVDSYZKFRJH-SNVBAGLBSA-N 0 0 412.215 4.085 20 5 HIBDRN CN(C)C(=O)C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc21 ZINC000543643030 940146995 /nfs/dbraw/zinc/14/69/95/940146995.db2.gz YCOWANZOTIYXDO-NSHDSACASA-N 0 0 420.828 4.001 20 5 HIBDRN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1C ZINC000543657550 940152316 /nfs/dbraw/zinc/15/23/16/940152316.db2.gz JGJLHGSFQYSXFX-UHFFFAOYSA-N 0 0 405.476 4.059 20 5 HIBDRN CC[C@@](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)(C(N)=O)C(C)C ZINC000543796458 940190026 /nfs/dbraw/zinc/19/00/26/940190026.db2.gz FTOXCKSHICTTSO-FQEVSTJZSA-N 0 0 419.865 4.060 20 5 HIBDRN CCOc1cc(C(=O)N[C@@]2(C(F)(F)F)CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000543798657 940190368 /nfs/dbraw/zinc/19/03/68/940190368.db2.gz IIZHJTYCZHAFCZ-IBGZPJMESA-N 0 0 424.375 4.136 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NC2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000543852510 940209649 /nfs/dbraw/zinc/20/96/49/940209649.db2.gz WEGNWOWAGUQDHQ-UHFFFAOYSA-N 0 0 408.483 4.363 20 5 HIBDRN O=[N+]([O-])c1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)c(Cl)c1 ZINC000543860611 940213427 /nfs/dbraw/zinc/21/34/27/940213427.db2.gz AXELBADWQHLKHW-HNNXBMFYSA-N 0 0 405.819 4.436 20 5 HIBDRN COC(=O)c1ccc(-c2nc(CSCCOc3ccccc3[N+](=O)[O-])co2)cc1 ZINC000543863315 940215126 /nfs/dbraw/zinc/21/51/26/940215126.db2.gz UVSMUCJGORXXST-UHFFFAOYSA-N 0 0 414.439 4.349 20 5 HIBDRN O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])s2)N1Cc1ccc2c(c1)OCO2 ZINC000543869035 940217372 /nfs/dbraw/zinc/21/73/72/940217372.db2.gz QYKXGDMPJWWXFV-IBGZPJMESA-N 0 0 409.423 4.152 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543875585 940221155 /nfs/dbraw/zinc/22/11/55/940221155.db2.gz DAWGCZOGZMPEES-ACJLOTCBSA-N 0 0 423.391 4.014 20 5 HIBDRN COc1ccc(NC(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1[N+](=O)[O-] ZINC000543886199 940226118 /nfs/dbraw/zinc/22/61/18/940226118.db2.gz YTVPRSATFBQWHI-AWEZNQCLSA-N 0 0 418.881 4.213 20 5 HIBDRN COc1ccc(NC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000543886042 940226121 /nfs/dbraw/zinc/22/61/21/940226121.db2.gz USWBHECKIUOOIL-YOEHRIQHSA-N 0 0 409.801 4.048 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(CN(C)Cc3cscn3)c2)c1 ZINC000543901462 940233676 /nfs/dbraw/zinc/23/36/76/940233676.db2.gz HNAQBJIVWWGDMY-UHFFFAOYSA-N 0 0 412.471 4.214 20 5 HIBDRN Cc1ccnc(OC2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000543908491 940237808 /nfs/dbraw/zinc/23/78/08/940237808.db2.gz NYZSUTPYUGPAME-UHFFFAOYSA-N 0 0 408.458 4.039 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000543931464 940251808 /nfs/dbraw/zinc/25/18/08/940251808.db2.gz SIZSXZOUQIWBJC-UHFFFAOYSA-N 0 0 400.435 4.084 20 5 HIBDRN Cc1cc2cc(C(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)oc2c(Br)c1 ZINC000543941949 940257443 /nfs/dbraw/zinc/25/74/43/940257443.db2.gz MIXKCFMBJJXSPM-UHFFFAOYSA-N 0 0 416.231 4.005 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccc(-c4cncnc4)cn3)o2)c([N+](=O)[O-])c1 ZINC000543996287 940289200 /nfs/dbraw/zinc/28/92/00/940289200.db2.gz LEDUXSYEOJSNGU-UHFFFAOYSA-N 0 0 403.398 4.328 20 5 HIBDRN O=C(c1ccc(F)c(F)c1)c1ccccc1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000544005244 940294449 /nfs/dbraw/zinc/29/44/49/940294449.db2.gz ZKBZCXVCZPOAJL-UHFFFAOYSA-N 0 0 422.387 4.303 20 5 HIBDRN CNc1ccc(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1[N+](=O)[O-] ZINC000544027900 940303950 /nfs/dbraw/zinc/30/39/50/940303950.db2.gz SCDNPZJBKMPJFO-UHFFFAOYSA-N 0 0 405.336 4.093 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1cnn(C[C@@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000544042613 940308370 /nfs/dbraw/zinc/30/83/70/940308370.db2.gz QLJDUICNICIXGC-CQSZACIVSA-N 0 0 408.241 4.205 20 5 HIBDRN C[C@H](OC[C@@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000544052189 940311708 /nfs/dbraw/zinc/31/17/08/940311708.db2.gz ZSIHYKDPCRYQOT-KSSFIOAISA-N 0 0 401.850 4.250 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000544059941 940313881 /nfs/dbraw/zinc/31/38/81/940313881.db2.gz MEOUTJMTOYYATI-OAHLLOKOSA-N 0 0 408.710 4.489 20 5 HIBDRN CC(C)Oc1c(F)cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000544063261 940315309 /nfs/dbraw/zinc/31/53/09/940315309.db2.gz UCWNMFCRHZDFDR-UHFFFAOYSA-N 0 0 416.384 4.313 20 5 HIBDRN Cc1ccc(Cc2nnc(NC(=O)CSc3ccccc3[N+](=O)[O-])s2)cc1 ZINC000544075789 940318911 /nfs/dbraw/zinc/31/89/11/940318911.db2.gz PHWDBFSZEDBULG-UHFFFAOYSA-N 0 0 400.485 4.076 20 5 HIBDRN COc1ccc(OC)c(CCCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000544086490 940322426 /nfs/dbraw/zinc/32/24/26/940322426.db2.gz DKZUVCRKEXRYOF-UHFFFAOYSA-N 0 0 424.906 4.107 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC(c1cccs1)c1cccs1 ZINC000544112005 940329396 /nfs/dbraw/zinc/32/93/96/940329396.db2.gz LMVLKLBHPOWGJE-UHFFFAOYSA-N 0 0 403.485 4.315 20 5 HIBDRN COc1ccc2nc(-c3noc(-c4ccc(OC(F)F)c([N+](=O)[O-])c4)n3)ccc2c1 ZINC000544122231 940331748 /nfs/dbraw/zinc/33/17/48/940331748.db2.gz REHIJMBMCOYMHB-UHFFFAOYSA-N 0 0 414.324 4.470 20 5 HIBDRN CC[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2cccc(Cl)c2O1 ZINC000544129249 940333594 /nfs/dbraw/zinc/33/35/94/940333594.db2.gz TVWNIILVAKIKKG-INIZCTEOSA-N 0 0 412.833 4.252 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000544166971 940341642 /nfs/dbraw/zinc/34/16/42/940341642.db2.gz UEDYCVQLVRVIHM-LBPRGKRZSA-N 0 0 411.277 4.405 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1csc(-c2ccco2)n1 ZINC000544269032 940374046 /nfs/dbraw/zinc/37/40/46/940374046.db2.gz QWOCWIRPXRRJPC-UHFFFAOYSA-N 0 0 409.876 4.373 20 5 HIBDRN CCc1cc(N2CC[C@@H](n3cnc4ccccc43)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000544353691 940398014 /nfs/dbraw/zinc/39/80/14/940398014.db2.gz MHDIRGYLYZJKCB-LJQANCHMSA-N 0 0 414.469 4.415 20 5 HIBDRN O=C(c1c(F)cc(F)cc1F)C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544396282 940411361 /nfs/dbraw/zinc/41/13/61/940411361.db2.gz XOZAISHNQGHFAT-UHFFFAOYSA-N 0 0 416.359 4.055 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1F ZINC000544399544 940412364 /nfs/dbraw/zinc/41/23/64/940412364.db2.gz QLBDMSCMRNYHLC-CYBMUJFWSA-N 0 0 408.389 4.123 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(I)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544403232 940413487 /nfs/dbraw/zinc/41/34/87/940413487.db2.gz ZUFXTEFJQKLQBI-VIFPVBQESA-N 0 0 414.174 4.081 20 5 HIBDRN Cc1c(Br)c(N[C@@H](C)c2cccc(N3CCCC3=O)c2)ncc1[N+](=O)[O-] ZINC000544409825 940416399 /nfs/dbraw/zinc/41/63/99/940416399.db2.gz RQFXSRITYRIPIA-LBPRGKRZSA-N 0 0 419.279 4.361 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544423316 940422502 /nfs/dbraw/zinc/42/25/02/940422502.db2.gz APMLRROJCZDCJL-UWVGGRQHSA-N 0 0 416.375 4.090 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000544429973 940426838 /nfs/dbraw/zinc/42/68/38/940426838.db2.gz IQKWOWAXGALBJW-PZJWPPBQSA-N 0 0 415.465 4.276 20 5 HIBDRN C[C@@H](C(=O)NCCOc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544432256 940428252 /nfs/dbraw/zinc/42/82/52/940428252.db2.gz HOXKQKBCVRBGIS-LLVKDONJSA-N 0 0 400.328 4.051 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544445673 940433983 /nfs/dbraw/zinc/43/39/83/940433983.db2.gz SPXYTHBMBFRFEV-UONOGXRCSA-N 0 0 406.479 4.391 20 5 HIBDRN COc1cccc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1OC1CCCC1 ZINC000544447994 940434582 /nfs/dbraw/zinc/43/45/82/940434582.db2.gz XRQAAXVVHRTDJG-CQSZACIVSA-N 0 0 416.449 4.484 20 5 HIBDRN CC(C)COC[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccco1 ZINC000544449218 940435791 /nfs/dbraw/zinc/43/57/91/940435791.db2.gz JKYLLJCBQXPTSB-WMLDXEAASA-N 0 0 400.435 4.302 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cc(Cl)cc2c1OCC2 ZINC000544454224 940437829 /nfs/dbraw/zinc/43/78/29/940437829.db2.gz BSVUSJSXNAIOBC-UHFFFAOYSA-N 0 0 418.880 4.059 20 5 HIBDRN Cc1cnc([C@H](C)CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)s1 ZINC000544461195 940440950 /nfs/dbraw/zinc/44/09/50/940440950.db2.gz GSPJLZKYBFJVEV-CQSZACIVSA-N 0 0 402.520 4.130 20 5 HIBDRN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000544461687 940440984 /nfs/dbraw/zinc/44/09/84/940440984.db2.gz QNWHXLFJFMCCIW-UXHICEINSA-N 0 0 400.450 4.390 20 5 HIBDRN CC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nc(C(F)(F)F)cs1 ZINC000544461841 940441017 /nfs/dbraw/zinc/44/10/17/940441017.db2.gz RHGLQSNRUDMISE-NSHDSACASA-N 0 0 402.398 4.058 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000544482839 940451415 /nfs/dbraw/zinc/45/14/15/940451415.db2.gz ONPDURZXRVJAOM-GTNSWQLSSA-N 0 0 404.264 4.284 20 5 HIBDRN C[C@H](C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000544507538 940459856 /nfs/dbraw/zinc/45/98/56/940459856.db2.gz YIURFESROAWKFQ-STQMWFEESA-N 0 0 406.483 4.165 20 5 HIBDRN COc1cccc(-c2noc([C@@H](C)NCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)n2)c1 ZINC000544519348 940470098 /nfs/dbraw/zinc/47/00/98/940470098.db2.gz NOQMLAUCXGVVHJ-CYBMUJFWSA-N 0 0 421.413 4.159 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccncc2)cs1 ZINC000544557999 940478364 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CCc1[nH]nc(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)c(F)c2)c1[N+](=O)[O-] ZINC000553730724 941954244 /nfs/dbraw/zinc/95/42/44/941954244.db2.gz FQBGFQIZNWBEIB-UHFFFAOYSA-N 0 0 414.393 4.381 20 5 HIBDRN O=C(COc1ccc(Br)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC000553739593 941956139 /nfs/dbraw/zinc/95/61/39/941956139.db2.gz JKNLJHCBVMRYNY-UHFFFAOYSA-N 0 0 405.126 4.033 20 5 HIBDRN CC(C)(NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cc(C(F)(F)F)on1 ZINC000553755326 941960518 /nfs/dbraw/zinc/96/05/18/941960518.db2.gz ICEVDGBXIROOQT-UHFFFAOYSA-N 0 0 421.759 4.075 20 5 HIBDRN CC(C)(NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cc(C(F)(F)F)on1 ZINC000553756819 941961082 /nfs/dbraw/zinc/96/10/82/941961082.db2.gz FKGHMCHPGAOIAJ-UHFFFAOYSA-N 0 0 422.157 4.029 20 5 HIBDRN Cc1cccc(-c2cnc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)s2)c1 ZINC000553764604 941962403 /nfs/dbraw/zinc/96/24/03/941962403.db2.gz IZHKCOQELKMASD-UHFFFAOYSA-N 0 0 424.482 4.116 20 5 HIBDRN Cc1ccc2[nH]c(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)nc2c1 ZINC000553812189 941974841 /nfs/dbraw/zinc/97/48/41/941974841.db2.gz PYTIHPLAQQIUPT-UHFFFAOYSA-N 0 0 404.376 4.397 20 5 HIBDRN COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000553825170 941977820 /nfs/dbraw/zinc/97/78/20/941977820.db2.gz LVPOQMSJYKVKTP-WMLDXEAASA-N 0 0 414.458 4.234 20 5 HIBDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000553857801 941984592 /nfs/dbraw/zinc/98/45/92/941984592.db2.gz FLVXUUKHIJXEJQ-VFZGTOFNSA-N 0 0 400.378 4.107 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c(Cl)c1 ZINC000553925940 942000496 /nfs/dbraw/zinc/00/04/96/942000496.db2.gz ZKAALNAURDURJS-ZDUSSCGKSA-N 0 0 404.776 4.463 20 5 HIBDRN CSC[C@@H]1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000553934812 942002205 /nfs/dbraw/zinc/00/22/05/942002205.db2.gz LLRDOHRDTFHJKP-HZPDHXFCSA-N 0 0 414.531 4.378 20 5 HIBDRN CCOc1ccc(C(=O)CCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1F ZINC000554063279 942027945 /nfs/dbraw/zinc/02/79/45/942027945.db2.gz DLDULTUIIVIJSK-UHFFFAOYSA-N 0 0 402.422 4.147 20 5 HIBDRN C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000554094357 942035158 /nfs/dbraw/zinc/03/51/58/942035158.db2.gz NZCXZHVFIMBTNG-ZDUSSCGKSA-N 0 0 411.380 4.439 20 5 HIBDRN COc1ccc(Cc2nc(-c3cccc(Cn4nc(C)cc4C)c3)no2)cc1[N+](=O)[O-] ZINC000554105015 942036922 /nfs/dbraw/zinc/03/69/22/942036922.db2.gz WECTZUJHIDPGGY-UHFFFAOYSA-N 0 0 419.441 4.106 20 5 HIBDRN C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1OCCc2sccc21 ZINC000554205725 942065792 /nfs/dbraw/zinc/06/57/92/942065792.db2.gz ROELTIUFSHRDLA-MCMMXHMISA-N 0 0 404.491 4.175 20 5 HIBDRN Cc1noc([C@H]2CCCN2C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000554474605 942155453 /nfs/dbraw/zinc/15/54/53/942155453.db2.gz HXQWAAIBDWJMPK-GOSISDBHSA-N 0 0 409.402 4.448 20 5 HIBDRN CCC(CC)N(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)C1CC1 ZINC000554684756 942198984 /nfs/dbraw/zinc/19/89/84/942198984.db2.gz ZAZAPZOREWKBKF-UHFFFAOYSA-N 0 0 416.259 4.301 20 5 HIBDRN Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000554749815 942221380 /nfs/dbraw/zinc/22/13/80/942221380.db2.gz XJPZFBPWLHOBMO-UHFFFAOYSA-N 0 0 420.803 4.334 20 5 HIBDRN COc1ccc(Br)cc1-c1noc(-c2cccc([N+](=O)[O-])c2OC)n1 ZINC000554801137 942246621 /nfs/dbraw/zinc/24/66/21/942246621.db2.gz LTUCAVGOTIGKJK-UHFFFAOYSA-N 0 0 406.192 4.092 20 5 HIBDRN COc1ccc(Cc2noc(COc3ccc([N+](=O)[O-])c(C)c3)n2)c(Cl)c1OC ZINC000554800743 942246754 /nfs/dbraw/zinc/24/67/54/942246754.db2.gz AWEOWBVVWCZMEQ-UHFFFAOYSA-N 0 0 419.821 4.127 20 5 HIBDRN COc1cccc(-c2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)c1[N+](=O)[O-] ZINC000554816820 942257804 /nfs/dbraw/zinc/25/78/04/942257804.db2.gz VPSXWLMSTWLYLY-GFCCVEGCSA-N 0 0 417.805 4.142 20 5 HIBDRN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554834275 942271580 /nfs/dbraw/zinc/27/15/80/942271580.db2.gz BIYPFTYPSNRJBA-CQSZACIVSA-N 0 0 409.442 4.045 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000554858535 942293760 /nfs/dbraw/zinc/29/37/60/942293760.db2.gz USDJMYFWGQNXMP-UHFFFAOYSA-N 0 0 424.501 4.364 20 5 HIBDRN COc1cc(Br)cc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000554875437 942303996 /nfs/dbraw/zinc/30/39/96/942303996.db2.gz YSMHMFKVMGXCQI-UHFFFAOYSA-N 0 0 408.252 4.072 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000554878181 942304879 /nfs/dbraw/zinc/30/48/79/942304879.db2.gz XIDJJMCJZMGPDB-LJAQVGFWSA-N 0 0 417.531 4.348 20 5 HIBDRN CCOC(=O)c1c(NC(=O)c2cc(OCC)ccc2[N+](=O)[O-])sc(C)c1CC ZINC000554885110 942307854 /nfs/dbraw/zinc/30/78/54/942307854.db2.gz LLSRPLLLOAETJO-UHFFFAOYSA-N 0 0 406.460 4.355 20 5 HIBDRN O=C(Nc1ccc2nnc(C3CCC3)n2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000554955015 942332128 /nfs/dbraw/zinc/33/21/28/942332128.db2.gz CKLKGRCJNHJJIP-UHFFFAOYSA-N 0 0 406.446 4.102 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(COCC(F)(F)F)c2)c1 ZINC000554963434 942335762 /nfs/dbraw/zinc/33/57/62/942335762.db2.gz WUHFGRZITLNLGS-UHFFFAOYSA-N 0 0 412.364 4.002 20 5 HIBDRN COc1cc(C(=O)Nc2ncc(-c3ccccc3F)s2)cc([N+](=O)[O-])c1OC ZINC000554982718 942342639 /nfs/dbraw/zinc/34/26/39/942342639.db2.gz XGMNADGWAULCKU-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000555011010 942355349 /nfs/dbraw/zinc/35/53/49/942355349.db2.gz FKQUMUZCFOPECK-UHFFFAOYSA-N 0 0 413.474 4.175 20 5 HIBDRN Cc1nc(C(F)(F)F)ccc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000555018187 942358665 /nfs/dbraw/zinc/35/86/65/942358665.db2.gz NYZNXSBFSUOAAF-UHFFFAOYSA-N 0 0 402.760 4.335 20 5 HIBDRN CC(C)c1noc(Cc2ccc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)cc2)n1 ZINC000555032651 942364223 /nfs/dbraw/zinc/36/42/23/942364223.db2.gz HGFUQTYFUPQUOV-UHFFFAOYSA-N 0 0 421.457 4.282 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1NCc1ccco1 ZINC000555105628 942387040 /nfs/dbraw/zinc/38/70/40/942387040.db2.gz BHNPUCBTIFOARQ-UHFFFAOYSA-N 0 0 404.426 4.254 20 5 HIBDRN CS[C@@H]1C(=O)Nc2ccc(-c3noc(C(F)(F)c4ccc([N+](=O)[O-])cc4)n3)cc21 ZINC000555109227 942387321 /nfs/dbraw/zinc/38/73/21/942387321.db2.gz JXRKAKAJOYQLTJ-AWEZNQCLSA-N 0 0 418.381 4.141 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCc3sc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000555139885 942400120 /nfs/dbraw/zinc/40/01/20/942400120.db2.gz ZCJGILHXWJSEPF-GFCCVEGCSA-N 0 0 402.863 4.374 20 5 HIBDRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000555218049 942434661 /nfs/dbraw/zinc/43/46/61/942434661.db2.gz IYRAVZPETQBMNU-GFCCVEGCSA-N 0 0 402.401 4.299 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000555299715 942466790 /nfs/dbraw/zinc/46/67/90/942466790.db2.gz PJILTPLCTMHKMO-REPLKXPHSA-N 0 0 407.470 4.087 20 5 HIBDRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555301862 942467782 /nfs/dbraw/zinc/46/77/82/942467782.db2.gz VMQYINDUIFTRGM-GFCCVEGCSA-N 0 0 416.421 4.210 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(C1)CCCCC2 ZINC000555324975 942476844 /nfs/dbraw/zinc/47/68/44/942476844.db2.gz BPABUTRTKFFETI-UHFFFAOYSA-N 0 0 413.522 4.441 20 5 HIBDRN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000555404150 942518376 /nfs/dbraw/zinc/51/83/76/942518376.db2.gz BKRYYLKPUDOZNI-AWEZNQCLSA-N 0 0 422.407 4.168 20 5 HIBDRN CC(C)(C)[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)C1 ZINC000555486235 942588675 /nfs/dbraw/zinc/58/86/75/942588675.db2.gz DHXSFKYKLZSHGJ-FUHWJXTLSA-N 0 0 413.522 4.152 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CC2CCCC2)n1C[C@@H]1CCCCO1 ZINC000555491723 942593480 /nfs/dbraw/zinc/59/34/80/942593480.db2.gz XBXIJAGLUCAGMD-IBGZPJMESA-N 0 0 413.522 4.125 20 5 HIBDRN O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(-c4cnn5c4OCCC5)n3)cc2)c1 ZINC000555608071 942666845 /nfs/dbraw/zinc/66/68/45/942666845.db2.gz YFEPSABYJHMFPL-UHFFFAOYSA-N 0 0 405.370 4.083 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000555707973 942707638 /nfs/dbraw/zinc/70/76/38/942707638.db2.gz YREBNNGMPZHOPO-LLVKDONJSA-N 0 0 417.409 4.037 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000555869870 942759553 /nfs/dbraw/zinc/75/95/53/942759553.db2.gz SWXBOKXIPWDHRT-QGZVFWFLSA-N 0 0 423.238 4.019 20 5 HIBDRN COc1cc(F)c(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1OC ZINC000555881293 942764485 /nfs/dbraw/zinc/76/44/85/942764485.db2.gz IJAJCZXUFPYQSB-UHFFFAOYSA-N 0 0 413.199 4.074 20 5 HIBDRN CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CCO1 ZINC000555927088 942773415 /nfs/dbraw/zinc/77/34/15/942773415.db2.gz JDTIMBCEYMPRCP-DYVFJYSZSA-N 0 0 413.312 4.379 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000556029209 942789118 /nfs/dbraw/zinc/78/91/18/942789118.db2.gz WBXYAJFDXMDJAR-UHFFFAOYSA-N 0 0 422.441 4.351 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(-c2nccc3[nH]ccc32)no1 ZINC000556331735 942843098 /nfs/dbraw/zinc/84/30/98/942843098.db2.gz JRVUEXYSKRDCLO-UHFFFAOYSA-N 0 0 418.335 4.195 20 5 HIBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Oc1ccccc1Cl ZINC000556365569 942850469 /nfs/dbraw/zinc/85/04/69/942850469.db2.gz YSFWUUGBIWXMLU-SNVBAGLBSA-N 0 0 402.756 4.464 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1cccc(Br)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000556378720 942852542 /nfs/dbraw/zinc/85/25/42/942852542.db2.gz DSOODHIVWSSFQH-SECBINFHSA-N 0 0 419.684 4.050 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000556443797 942868495 /nfs/dbraw/zinc/86/84/95/942868495.db2.gz NPQJZLJERHWTEE-UHFFFAOYSA-N 0 0 416.890 4.414 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC1(c2ccccc2)CC1 ZINC000556451318 942870875 /nfs/dbraw/zinc/87/08/75/942870875.db2.gz GOPWSAPWNXJQCB-UHFFFAOYSA-N 0 0 403.276 4.470 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)NCc2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000556493694 942884238 /nfs/dbraw/zinc/88/42/38/942884238.db2.gz HEJSNUQHEHSXEO-UHFFFAOYSA-N 0 0 402.520 4.196 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000556559870 942898359 /nfs/dbraw/zinc/89/83/59/942898359.db2.gz BMOBXSRDMPCMKK-MJGOQNOKSA-N 0 0 409.486 4.283 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000556559867 942898406 /nfs/dbraw/zinc/89/84/06/942898406.db2.gz BMOBXSRDMPCMKK-IEBWSBKVSA-N 0 0 409.486 4.283 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000556858293 942941979 /nfs/dbraw/zinc/94/19/79/942941979.db2.gz KAVJYLUAWJYSKI-SFHVURJKSA-N 0 0 420.391 4.149 20 5 HIBDRN O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000556858600 942942268 /nfs/dbraw/zinc/94/22/68/942942268.db2.gz NZTINUAEDFASIU-WKILWMFISA-N 0 0 423.498 4.266 20 5 HIBDRN CO[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000556885076 942951009 /nfs/dbraw/zinc/95/10/09/942951009.db2.gz LDADFVJOYHHKPI-RBUKOAKNSA-N 0 0 400.866 4.048 20 5 HIBDRN Cn1ccnc1[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000556896506 942956961 /nfs/dbraw/zinc/95/69/61/942956961.db2.gz ZLOOQTYWUZJADY-LEWJYISDSA-N 0 0 408.458 4.088 20 5 HIBDRN Cn1ccnc1[C@@H](NCC(F)(F)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000556920972 942966394 /nfs/dbraw/zinc/96/63/94/942966394.db2.gz KQLKOQIPXMFHFZ-KRWDZBQOSA-N 0 0 406.820 4.453 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000556960056 942979238 /nfs/dbraw/zinc/97/92/38/942979238.db2.gz ICGLCOSMMSUPMO-IYBDPMFKSA-N 0 0 413.861 4.196 20 5 HIBDRN COc1ccc(NC(=O)C2(c3cc(F)cc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC000556962333 942981381 /nfs/dbraw/zinc/98/13/81/942981381.db2.gz ZFCACPWTHMUYCN-UHFFFAOYSA-N 0 0 409.211 4.175 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCCc1ccccc1Br ZINC000557073774 943012757 /nfs/dbraw/zinc/01/27/57/943012757.db2.gz SMOJPMYJXDPHMY-UHFFFAOYSA-N 0 0 405.292 4.381 20 5 HIBDRN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1OCCc2sccc21 ZINC000557075081 943013596 /nfs/dbraw/zinc/01/35/96/943013596.db2.gz ZCUDVVBELQARDI-OWJWWREXSA-N 0 0 418.518 4.035 20 5 HIBDRN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557077893 943014861 /nfs/dbraw/zinc/01/48/61/943014861.db2.gz AKBORMWIZDVSDH-UHFFFAOYSA-N 0 0 403.504 4.264 20 5 HIBDRN CCCc1noc2nc(C3CC3)cc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c12 ZINC000557077853 943015251 /nfs/dbraw/zinc/01/52/51/943015251.db2.gz QEVFCTSFUKTFDB-UHFFFAOYSA-N 0 0 408.458 4.276 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCN(c2ccccc2F)CC1 ZINC000557148481 943031669 /nfs/dbraw/zinc/03/16/69/943031669.db2.gz ZQAUIZHJHYZINV-UHFFFAOYSA-N 0 0 411.355 4.105 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000557160444 943035079 /nfs/dbraw/zinc/03/50/79/943035079.db2.gz VDDXSKZNJRDMSB-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CSc1cccc(F)c1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000557365440 943088789 /nfs/dbraw/zinc/08/87/89/943088789.db2.gz WZVXQZQLCILAKO-UHFFFAOYSA-N 0 0 406.482 4.332 20 5 HIBDRN COC(=O)C(C)(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000557430426 943121939 /nfs/dbraw/zinc/12/19/39/943121939.db2.gz MJTPFAVRCNEWQA-UHFFFAOYSA-N 0 0 402.472 4.065 20 5 HIBDRN COc1ccc(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000557438893 943126883 /nfs/dbraw/zinc/12/68/83/943126883.db2.gz VZGBVNBCXPFLRK-KPZWWZAWSA-N 0 0 424.375 4.224 20 5 HIBDRN O=C(NCc1cc(-c2ccccc2)on1)c1sc(Br)cc1[N+](=O)[O-] ZINC000557467761 943147174 /nfs/dbraw/zinc/14/71/74/943147174.db2.gz RWTPYGCYGQCJET-UHFFFAOYSA-N 0 0 408.233 4.004 20 5 HIBDRN COC(=O)c1cc(C)nc(N2CCC[C@@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000557493389 943166633 /nfs/dbraw/zinc/16/66/33/943166633.db2.gz MGUKELXZYVSVRJ-OAHLLOKOSA-N 0 0 420.263 4.189 20 5 HIBDRN C[C@@H](c1ccccc1)N(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000557494676 943168701 /nfs/dbraw/zinc/16/87/01/943168701.db2.gz OHZPKUVDAQVXKK-HNNXBMFYSA-N 0 0 409.442 4.035 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000557547521 943202687 /nfs/dbraw/zinc/20/26/87/943202687.db2.gz PPNDMOWLGOSMTL-OAHLLOKOSA-N 0 0 402.472 4.055 20 5 HIBDRN C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000557565643 943212376 /nfs/dbraw/zinc/21/23/76/943212376.db2.gz LDLVECQGXQXKMT-YLJYHZDGSA-N 0 0 411.502 4.363 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2N2CCc3cc(Br)cc(F)c3C2)s1 ZINC000557644252 943246856 /nfs/dbraw/zinc/24/68/56/943246856.db2.gz LGYBGXNIRCPCKI-UHFFFAOYSA-N 0 0 409.240 4.064 20 5 HIBDRN C[C@]1(C2CC2)NC(=O)N(c2cccc(CNc3ccc([N+](=O)[O-])cc3Cl)c2)C1=O ZINC000557672750 943254635 /nfs/dbraw/zinc/25/46/35/943254635.db2.gz PQRAESKRYHCLKG-HXUWFJFHSA-N 0 0 414.849 4.085 20 5 HIBDRN O=C(NCc1ccc(-c2ccccc2)cc1F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000557728061 943271987 /nfs/dbraw/zinc/27/19/87/943271987.db2.gz IVWMCGALELBTLS-UHFFFAOYSA-N 0 0 408.385 4.102 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000557741778 943275952 /nfs/dbraw/zinc/27/59/52/943275952.db2.gz SZFRQJZKKRJNMP-IBGZPJMESA-N 0 0 408.376 4.054 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2ccc(C)cc21 ZINC000557835777 943308125 /nfs/dbraw/zinc/30/81/25/943308125.db2.gz LYKPIIGTELUEGC-LJQANCHMSA-N 0 0 400.500 4.449 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCCN(c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000557885022 943320720 /nfs/dbraw/zinc/32/07/20/943320720.db2.gz RMHUIVLIWAVWLC-INIZCTEOSA-N 0 0 400.454 4.025 20 5 HIBDRN C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000557913891 943327469 /nfs/dbraw/zinc/32/74/69/943327469.db2.gz NFKVWUQAPUANTO-INIZCTEOSA-N 0 0 415.468 4.171 20 5 HIBDRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000557971214 943343080 /nfs/dbraw/zinc/34/30/80/943343080.db2.gz POEZIGCZOPBBMO-UHFFFAOYSA-N 0 0 411.502 4.378 20 5 HIBDRN Cc1cccc(-c2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)s2)c1 ZINC000558008388 943353385 /nfs/dbraw/zinc/35/33/85/943353385.db2.gz GLRQTHASDYZDET-UHFFFAOYSA-N 0 0 415.496 4.363 20 5 HIBDRN COc1cc2c(cc1Cl)CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)CC2 ZINC000558010530 943354027 /nfs/dbraw/zinc/35/40/27/943354027.db2.gz FOUOIFWMPXFRPB-UHFFFAOYSA-N 0 0 412.776 4.057 20 5 HIBDRN COc1cc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C ZINC000558057448 943368983 /nfs/dbraw/zinc/36/89/83/943368983.db2.gz XXXUEZRUYSLMNX-UHFFFAOYSA-N 0 0 424.784 4.385 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000558088003 943377695 /nfs/dbraw/zinc/37/76/95/943377695.db2.gz CVEARLRBLCNMKZ-OAHLLOKOSA-N 0 0 413.455 4.130 20 5 HIBDRN COc1cccc(-c2nc(Cc3ccc(OCc4ccncc4)cc3)no2)c1[N+](=O)[O-] ZINC000558292893 943487387 /nfs/dbraw/zinc/48/73/87/943487387.db2.gz HZRQRPQWHDHDLQ-UHFFFAOYSA-N 0 0 418.409 4.218 20 5 HIBDRN Cc1cccc(Cc2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 ZINC000558296597 943490038 /nfs/dbraw/zinc/49/00/38/943490038.db2.gz RFESEQHTRKURKX-IBGZPJMESA-N 0 0 406.442 4.163 20 5 HIBDRN CCOc1cc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c([N+](=O)[O-])cc1OC ZINC000558344184 943519539 /nfs/dbraw/zinc/51/95/39/943519539.db2.gz JAEDVDNFIPYMIA-TXEJJXNPSA-N 0 0 404.385 4.195 20 5 HIBDRN O=C(Nc1nc(Cc2ccccc2)cs1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000558497603 943576481 /nfs/dbraw/zinc/57/64/81/943576481.db2.gz PNWNBBMFBFZWBS-UHFFFAOYSA-N 0 0 410.455 4.069 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(-c2cnn(Cc3ccccc3Cl)c2)n1 ZINC000558573828 943603412 /nfs/dbraw/zinc/60/34/12/943603412.db2.gz FQCHJELODKKTLZ-UHFFFAOYSA-N 0 0 424.848 4.198 20 5 HIBDRN C[C@@H](C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000558694592 943629920 /nfs/dbraw/zinc/62/99/20/943629920.db2.gz ISQXUGNZPSBRJA-FZKQIMNGSA-N 0 0 408.376 4.317 20 5 HIBDRN COc1ccc(CN(CC2CCC2)C(=O)NCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000558700484 943630924 /nfs/dbraw/zinc/63/09/24/943630924.db2.gz WGRYJWDNEUIVHB-UHFFFAOYSA-N 0 0 413.474 4.124 20 5 HIBDRN COc1ccc(-c2ccc(C)c(NC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)c2)cn1 ZINC000558712611 943631968 /nfs/dbraw/zinc/63/19/68/943631968.db2.gz HXWYFHCXLOSVRS-UHFFFAOYSA-N 0 0 407.426 4.164 20 5 HIBDRN COc1cc(Br)c(CN(C)CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000558739918 943636606 /nfs/dbraw/zinc/63/66/06/943636606.db2.gz RBZNQQPATYYFJG-UHFFFAOYSA-N 0 0 409.280 4.049 20 5 HIBDRN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000558763461 943651545 /nfs/dbraw/zinc/65/15/45/943651545.db2.gz GWBPHCJDAWCOLI-ZNXRZULTSA-N 0 0 407.449 4.444 20 5 HIBDRN COc1cccc(C(=O)N2CCc3cc(Cl)cc(Br)c32)c1[N+](=O)[O-] ZINC000558794635 943665848 /nfs/dbraw/zinc/66/58/48/943665848.db2.gz UAYDDFHLUFSKBJ-UHFFFAOYSA-N 0 0 411.639 4.222 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)cnn2Cc2cc(F)ccc2F)c1 ZINC000558806043 943671480 /nfs/dbraw/zinc/67/14/80/943671480.db2.gz UUOZAEDIICPKHL-UHFFFAOYSA-N 0 0 416.384 4.077 20 5 HIBDRN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000558917853 943745812 /nfs/dbraw/zinc/74/58/12/943745812.db2.gz CPVXWGREIOAXSU-UHFFFAOYSA-N 0 0 407.348 4.102 20 5 HIBDRN CC(C)Cn1c(CC2CCCCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000559086298 943832228 /nfs/dbraw/zinc/83/22/28/943832228.db2.gz NMKDADOCJDFFCI-UHFFFAOYSA-N 0 0 415.542 4.003 20 5 HIBDRN C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)CC1(F)F ZINC000559163881 943857309 /nfs/dbraw/zinc/85/73/09/943857309.db2.gz WNMUBYGXUHBNPD-ZDUSSCGKSA-N 0 0 419.457 4.445 20 5 HIBDRN Cc1nc2cc(CNC(=O)CCCNc3ccc([N+](=O)[O-])cc3)ccc2n1C1CC1 ZINC000559287284 943890451 /nfs/dbraw/zinc/89/04/51/943890451.db2.gz MCVWPPZGVSFBFJ-UHFFFAOYSA-N 0 0 407.474 4.096 20 5 HIBDRN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000559361460 943910353 /nfs/dbraw/zinc/91/03/53/943910353.db2.gz BTCRTCWUQWIUQJ-JTQLQIEISA-N 0 0 406.236 4.058 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)OC[C@H]1C ZINC000559563839 944005974 /nfs/dbraw/zinc/00/59/74/944005974.db2.gz WDEBBDXXRIAOPV-KZULUSFZSA-N 0 0 419.275 4.268 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000559566256 944006687 /nfs/dbraw/zinc/00/66/87/944006687.db2.gz APQVPLXTMRUHFR-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN COc1ccccc1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000559581831 944012123 /nfs/dbraw/zinc/01/21/23/944012123.db2.gz ZKKINVPVWRRJNA-CYBMUJFWSA-N 0 0 419.275 4.304 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000559671492 944027767 /nfs/dbraw/zinc/02/77/67/944027767.db2.gz ZSGACTCVQSROAO-UHFFFAOYSA-N 0 0 403.360 4.374 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000559684943 944029634 /nfs/dbraw/zinc/02/96/34/944029634.db2.gz FLUSVCAQJQYSEU-UHFFFAOYSA-N 0 0 401.426 4.320 20 5 HIBDRN O=C(c1ccc2c(c1)CCCC2=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000559755451 944045211 /nfs/dbraw/zinc/04/52/11/944045211.db2.gz HYZXLIQOUYNTHV-UHFFFAOYSA-N 0 0 406.360 4.319 20 5 HIBDRN Cc1ncc2c(n1)CCN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C2 ZINC000559768588 944046854 /nfs/dbraw/zinc/04/68/54/944046854.db2.gz NTOPLJYCBLQQTE-UHFFFAOYSA-N 0 0 406.467 4.043 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1cccc([N+](=O)[O-])c1 ZINC000560127812 944169218 /nfs/dbraw/zinc/16/92/18/944169218.db2.gz GHWKZGFBMFVEMY-LLVKDONJSA-N 0 0 421.425 4.041 20 5 HIBDRN Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000560132604 944172049 /nfs/dbraw/zinc/17/20/49/944172049.db2.gz ASSPFKRIAQQNCR-UHFFFAOYSA-N 0 0 424.888 4.457 20 5 HIBDRN COc1c(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc(Cl)cc1C(=O)N(C)C ZINC000560265728 944212098 /nfs/dbraw/zinc/21/20/98/944212098.db2.gz RHBGFOSCTURCBL-QGZVFWFLSA-N 0 0 403.866 4.448 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1-n1cccn1 ZINC000560286133 944219538 /nfs/dbraw/zinc/21/95/38/944219538.db2.gz GFNRWIPRVPLIGX-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN Cc1ccc(Sc2ccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)cc2)cc1C ZINC000560325077 944226272 /nfs/dbraw/zinc/22/62/72/944226272.db2.gz 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NC(=O)c1cccc(N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000568115095 946466413 /nfs/dbraw/zinc/46/64/13/946466413.db2.gz VGULCTFMDCIYAD-UHFFFAOYSA-N 0 0 411.355 4.178 20 5 HIBDRN CN1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccc(Br)cc21 ZINC000568130742 946474605 /nfs/dbraw/zinc/47/46/05/946474605.db2.gz UWCAMSNCHSJORS-UHFFFAOYSA-N 0 0 410.655 4.107 20 5 HIBDRN C[C@H](C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000568376681 946527234 /nfs/dbraw/zinc/52/72/34/946527234.db2.gz IHIWISBDWIBNOP-LBPRGKRZSA-N 0 0 414.355 4.437 20 5 HIBDRN O=C(Nc1nc2c(cccc2Cl)[nH]1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000568426046 946539452 /nfs/dbraw/zinc/53/94/52/946539452.db2.gz KHWOVZDYKOCGLE-UHFFFAOYSA-N 0 0 414.727 4.318 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000568557703 946593827 /nfs/dbraw/zinc/59/38/27/946593827.db2.gz WYSFOVGRNBMYNL-UHFFFAOYSA-N 0 0 422.391 4.071 20 5 HIBDRN COc1c(-c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)cccc1[N+](=O)[O-] ZINC000568560086 946596258 /nfs/dbraw/zinc/59/62/58/946596258.db2.gz OJMJFPRAEAPRMP-UHFFFAOYSA-N 0 0 409.320 4.399 20 5 HIBDRN COC(=O)c1cc(C(C)(C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)no1 ZINC000568569326 946608949 /nfs/dbraw/zinc/60/89/49/946608949.db2.gz MRZWOQPUBMSXGH-UHFFFAOYSA-N 0 0 419.821 4.308 20 5 HIBDRN CN(C)c1cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)nc2ccccc21 ZINC000568569787 946609441 /nfs/dbraw/zinc/60/94/41/946609441.db2.gz IBPCDLZBFRIFCF-UHFFFAOYSA-N 0 0 414.425 4.331 20 5 HIBDRN COCCn1ccc2ccc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)cc21 ZINC000568684044 946654867 /nfs/dbraw/zinc/65/48/67/946654867.db2.gz HDZMYSOHSFPZOZ-UHFFFAOYSA-N 0 0 407.348 4.467 20 5 HIBDRN Cc1cccnc1C(C)(C)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000568806816 946707270 /nfs/dbraw/zinc/70/72/70/946707270.db2.gz KPDSEUKZHMLJQN-UHFFFAOYSA-N 0 0 407.268 4.160 20 5 HIBDRN CCCc1nc(C)c(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])o1 ZINC000568916327 946752707 /nfs/dbraw/zinc/75/27/07/946752707.db2.gz UQKIEXRNQYEBGZ-UHFFFAOYSA-N 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COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000571627439 947733912 /nfs/dbraw/zinc/73/39/12/947733912.db2.gz DROHMGKBBDNALX-UHFFFAOYSA-N 0 0 423.473 4.272 20 5 HIBDRN CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000571694284 947750972 /nfs/dbraw/zinc/75/09/72/947750972.db2.gz IROPWFOWRMCIJJ-UHFFFAOYSA-N 0 0 409.442 4.063 20 5 HIBDRN COc1ccc(-c2noc(CCCC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000571709983 947757449 /nfs/dbraw/zinc/75/74/49/947757449.db2.gz ADZJGPZWEDDGEI-UHFFFAOYSA-N 0 0 424.457 4.028 20 5 HIBDRN O=C(NCc1ccc2c(c1)CCO2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000571710973 947757821 /nfs/dbraw/zinc/75/78/21/947757821.db2.gz NIWIHPKHOPTEBF-UHFFFAOYSA-N 0 0 404.422 4.039 20 5 HIBDRN CCc1ccc(C(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cc1[N+](=O)[O-] ZINC000571838033 947799836 /nfs/dbraw/zinc/79/98/36/947799836.db2.gz FIHBYDXIESGNPF-ZDUSSCGKSA-N 0 0 412.368 4.012 20 5 HIBDRN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000572064868 947837980 /nfs/dbraw/zinc/83/79/80/947837980.db2.gz KUAXFOIKZLZXSQ-OAHLLOKOSA-N 0 0 402.756 4.385 20 5 HIBDRN CCN(CCOC)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000572188059 947858745 /nfs/dbraw/zinc/85/87/45/947858745.db2.gz VWOXNVHSJBCDMF-UHFFFAOYSA-N 0 0 408.838 4.158 20 5 HIBDRN C[C@@H](Cc1ccccc1Br)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000572386357 947891336 /nfs/dbraw/zinc/89/13/36/947891336.db2.gz MDQYCPISEFUNPV-ZDUSSCGKSA-N 0 0 405.292 4.382 20 5 HIBDRN C[C@H](Cc1ccccc1Br)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000572386356 947891654 /nfs/dbraw/zinc/89/16/54/947891654.db2.gz MDQYCPISEFUNPV-CYBMUJFWSA-N 0 0 405.292 4.382 20 5 HIBDRN O=C(c1ncsc1C(F)(F)F)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000572583886 947953040 /nfs/dbraw/zinc/95/30/40/947953040.db2.gz WHFHRQNZQVKGCU-UHFFFAOYSA-N 0 0 413.299 4.275 20 5 HIBDRN Cc1nc2sc(-c3ccccc3)cc2c(Sc2nccc(C(N)=O)c2[N+](=O)[O-])n1 ZINC000572689766 947988894 /nfs/dbraw/zinc/98/88/94/947988894.db2.gz LIWWLOTVWFVLMJ-UHFFFAOYSA-N 0 0 423.479 4.220 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c1 ZINC000572738822 947995580 /nfs/dbraw/zinc/99/55/80/947995580.db2.gz WCRCTFYJGBQOCF-UHFFFAOYSA-N 0 0 418.877 4.125 20 5 HIBDRN COc1cccc(-c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)c1[N+](=O)[O-] ZINC000572885138 948028924 /nfs/dbraw/zinc/02/89/24/948028924.db2.gz LYJVMZOYZUUTPJ-UHFFFAOYSA-N 0 0 423.212 4.141 20 5 HIBDRN COc1cc(Cc2noc([C@H](C)Cc3ccccc3F)n2)c([N+](=O)[O-])c(OC)c1 ZINC000572944740 948047046 /nfs/dbraw/zinc/04/70/46/948047046.db2.gz JQJYFEOXUMGMHZ-GFCCVEGCSA-N 0 0 401.394 4.071 20 5 HIBDRN COc1c(-c2nc(Cc3ccc(OCc4ccncc4)cc3)no2)cccc1[N+](=O)[O-] ZINC000573014972 948058214 /nfs/dbraw/zinc/05/82/14/948058214.db2.gz JBKQSKDNLZJIFB-UHFFFAOYSA-N 0 0 418.409 4.218 20 5 HIBDRN C[C@H]1CN(c2cccc(Cl)c2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000573054535 948072811 /nfs/dbraw/zinc/07/28/11/948072811.db2.gz RVSPOBMGOBHQSY-AWEZNQCLSA-N 0 0 413.865 4.009 20 5 HIBDRN Cc1ccc(C2(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CCOCC2)cc1 ZINC000573117097 948080717 /nfs/dbraw/zinc/08/07/17/948080717.db2.gz SYWWKKZLCXOLLD-UHFFFAOYSA-N 0 0 419.275 4.353 20 5 HIBDRN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000573174292 948102956 /nfs/dbraw/zinc/10/29/56/948102956.db2.gz QWNNERBZMXPLRU-LJQANCHMSA-N 0 0 401.850 4.304 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000573394360 948182146 /nfs/dbraw/zinc/18/21/46/948182146.db2.gz GGNYDEOADCIPKO-LLVKDONJSA-N 0 0 409.343 4.179 20 5 HIBDRN O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000573487048 948216590 /nfs/dbraw/zinc/21/65/90/948216590.db2.gz XWNDEVKIZADPBM-UHFFFAOYSA-N 0 0 420.322 4.141 20 5 HIBDRN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(Cl)cc1-c1cccc2ccccc21 ZINC000573551966 948238030 /nfs/dbraw/zinc/23/80/30/948238030.db2.gz GKOFDAMIRUSXMR-UHFFFAOYSA-N 0 0 407.817 4.299 20 5 HIBDRN Cc1c(NS(=O)(=O)c2ccc(C(F)F)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000573594555 948244941 /nfs/dbraw/zinc/24/49/41/948244941.db2.gz DEAYQOSDBDVIQA-UHFFFAOYSA-N 0 0 421.219 4.404 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Cl)cc1C(F)(F)F ZINC000573627662 948255008 /nfs/dbraw/zinc/25/50/08/948255008.db2.gz LNIOUCNUIFUABH-UHFFFAOYSA-N 0 0 404.728 4.293 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000573770239 948295465 /nfs/dbraw/zinc/29/54/65/948295465.db2.gz YZMDTUHSCCKDON-UHFFFAOYSA-N 0 0 413.405 4.354 20 5 HIBDRN CC(C)(c1nc(CN(C(=O)c2ccccc2)C2CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000573971498 948338387 /nfs/dbraw/zinc/33/83/87/948338387.db2.gz IZBOVZWGPHCQAI-UHFFFAOYSA-N 0 0 406.442 4.109 20 5 HIBDRN CCn1c(COc2ccc(Cl)cc2)nnc1Sc1c([N+](=O)[O-])nc(C)n1CC ZINC000573995310 948343491 /nfs/dbraw/zinc/34/34/91/948343491.db2.gz RSFVZXJMFGGJKU-UHFFFAOYSA-N 0 0 422.898 4.115 20 5 HIBDRN Cc1onc(-c2ccc(Cl)cc2Cl)c1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000574065774 948356426 /nfs/dbraw/zinc/35/64/26/948356426.db2.gz NPJPJKSLNWFVIV-UHFFFAOYSA-N 0 0 421.200 4.316 20 5 HIBDRN CC[C@](C)(NCc1cc(I)cc([N+](=O)[O-])c1)c1nccs1 ZINC000574083835 948361626 /nfs/dbraw/zinc/36/16/26/948361626.db2.gz JGSBXVAMINXXOJ-AWEZNQCLSA-N 0 0 417.272 4.071 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc([N+](=O)[O-])c1C ZINC000574218764 948389731 /nfs/dbraw/zinc/38/97/31/948389731.db2.gz HTSSOCMPHFCQOR-MRXNPFEDSA-N 0 0 421.453 4.377 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(c2nccc3sccc32)CC1 ZINC000574236538 948393582 /nfs/dbraw/zinc/39/35/82/948393582.db2.gz ATXQJJDAHDEAOO-UHFFFAOYSA-N 0 0 411.487 4.175 20 5 HIBDRN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000574416149 948433635 /nfs/dbraw/zinc/43/36/35/948433635.db2.gz HDOQCKIRPTUQEY-UHFFFAOYSA-N 0 0 410.396 4.386 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc(-c3ccncc3N3CCCC3)no2)c2ccccc12 ZINC000574446873 948445296 /nfs/dbraw/zinc/44/52/96/948445296.db2.gz KGSMBXOHPSNKON-UHFFFAOYSA-N 0 0 423.476 4.248 20 5 HIBDRN O=C(Nc1cncc(Cl)c1Br)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000574482586 948454478 /nfs/dbraw/zinc/45/44/78/948454478.db2.gz QTCOPJAHOKBXDG-UHFFFAOYSA-N 0 0 407.611 4.206 20 5 HIBDRN C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000574489315 948457984 /nfs/dbraw/zinc/45/79/84/948457984.db2.gz HOBZEEDSCZDRQN-ZDUSSCGKSA-N 0 0 414.849 4.178 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc4[nH]c(=O)oc43)cc2[N+](=O)[O-])C1 ZINC000574608969 948491790 /nfs/dbraw/zinc/49/17/90/948491790.db2.gz XHAKOALLACUHIL-BETUJISGSA-N 0 0 410.430 4.176 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cs1 ZINC000574659906 948497910 /nfs/dbraw/zinc/49/79/10/948497910.db2.gz VHJOVURGAHYVRO-NSHDSACASA-N 0 0 401.435 4.382 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000574776147 948523884 /nfs/dbraw/zinc/52/38/84/948523884.db2.gz USZSGAYLYSFWFQ-UHFFFAOYSA-N 0 0 412.339 4.436 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(Br)c(C(F)(F)F)n2)c1 ZINC000574831068 948537640 /nfs/dbraw/zinc/53/76/40/948537640.db2.gz DDDBVZFAPSWQHY-UHFFFAOYSA-N 0 0 421.125 4.350 20 5 HIBDRN CCOC(=O)c1ccnc(N[C@H](C)c2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC000575088048 948588310 /nfs/dbraw/zinc/58/83/10/948588310.db2.gz WWJSTWSRQFIFRI-SECBINFHSA-N 0 0 412.215 4.241 20 5 HIBDRN CNc1ccc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000575113556 948599808 /nfs/dbraw/zinc/59/98/08/948599808.db2.gz DPWUHFCLUNTPML-UHFFFAOYSA-N 0 0 423.326 4.232 20 5 HIBDRN O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000583621795 560777071 /nfs/dbraw/zinc/77/70/71/560777071.db2.gz SCXROSKNMJDORV-QGZVFWFLSA-N 0 0 406.870 4.252 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4COC[C@H]4C3)cnc2Cl)c1 ZINC001164390261 718820599 /nfs/dbraw/zinc/82/05/99/718820599.db2.gz NFDHPRKVVYBKOW-ZIAGYGMSSA-N 0 0 409.820 4.328 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@H]3[C@H](CC3(F)F)C2)c(Cl)nn1 ZINC001164411018 718872421 /nfs/dbraw/zinc/87/24/21/718872421.db2.gz LFNCKNYLRXANNZ-SKDRFNHKSA-N 0 0 416.762 4.342 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H](OCC4CC4)[C@@H]3C2)nc1Cl ZINC001164897768 721496924 /nfs/dbraw/zinc/49/69/24/721496924.db2.gz FBKPBKYDNRBACZ-GUTXKFCHSA-N 0 0 401.841 4.220 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)N2C[C@H]3CCC[C@]3(COc3ccccn3)C2)cnc1Cl ZINC001164797079 721504979 /nfs/dbraw/zinc/50/49/79/721504979.db2.gz YRUIKKDJKMAVHA-FZKQIMNGSA-N 0 0 424.835 4.269 20 5 HIBDRN O=C(NCCc1cccc2cccnc21)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435937095 861200147 /nfs/dbraw/zinc/20/01/47/861200147.db2.gz QKNNWGGZNQCPFU-UHFFFAOYSA-N 0 0 411.436 4.341 20 5 HIBDRN COc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1NC(C)=O ZINC000435939416 861202510 /nfs/dbraw/zinc/20/25/10/861202510.db2.gz GMTSDXWMKLORDH-UHFFFAOYSA-N 0 0 419.412 4.040 20 5 HIBDRN C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc2c(c1)OCO2 ZINC000435942737 861206391 /nfs/dbraw/zinc/20/63/91/861206391.db2.gz YGWMWMVAWQIKTC-NSHDSACASA-N 0 0 422.387 4.179 20 5 HIBDRN Cc1ccc(OCCN(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000435941377 861206460 /nfs/dbraw/zinc/20/64/60/861206460.db2.gz JXQGDTSQFSKBKL-UHFFFAOYSA-N 0 0 422.431 4.419 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000435973848 861239468 /nfs/dbraw/zinc/23/94/68/861239468.db2.gz GSTOCIUESNACFF-MRXNPFEDSA-N 0 0 422.254 4.272 20 5 HIBDRN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)cn1 ZINC000436005617 861293840 /nfs/dbraw/zinc/29/38/40/861293840.db2.gz LVFVLVHVZHZWLW-UHFFFAOYSA-N 0 0 423.860 4.306 20 5 HIBDRN O=C(Nc1cccc(-n2ccnc2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436063898 861346173 /nfs/dbraw/zinc/34/61/73/861346173.db2.gz IRJOOCHZBKFSHY-UHFFFAOYSA-N 0 0 416.387 4.398 20 5 HIBDRN CC(=O)Nc1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccc1C ZINC000436077416 861357013 /nfs/dbraw/zinc/35/70/13/861357013.db2.gz NQLSIQIVUFAOJF-UHFFFAOYSA-N 0 0 421.403 4.479 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cn1 ZINC000436077711 861359525 /nfs/dbraw/zinc/35/95/25/861359525.db2.gz OMALUBMBAUUIJS-UHFFFAOYSA-N 0 0 409.392 4.394 20 5 HIBDRN COc1cccc(C(=O)c2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)c1 ZINC000436084216 861363351 /nfs/dbraw/zinc/36/33/51/861363351.db2.gz BKWZCSSKVXCZRQ-UHFFFAOYSA-N 0 0 404.422 4.107 20 5 HIBDRN CCOCc1ccccc1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436085983 861364826 /nfs/dbraw/zinc/36/48/26/861364826.db2.gz AVZCVBABKXCAKR-UHFFFAOYSA-N 0 0 422.431 4.426 20 5 HIBDRN O=C(NCC1(c2ccccc2)CCOCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436086558 861365334 /nfs/dbraw/zinc/36/53/34/861365334.db2.gz HUISJGKLWCKNNS-UHFFFAOYSA-N 0 0 412.489 4.160 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(F)cccc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436137170 861428825 /nfs/dbraw/zinc/42/88/25/861428825.db2.gz IYHPBFOJTWRKCC-LJQANCHMSA-N 0 0 424.378 4.352 20 5 HIBDRN O=C(NC1CCN(c2ccccc2)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436146324 861444472 /nfs/dbraw/zinc/44/44/72/861444472.db2.gz CPLQBSCZAPEZHI-UHFFFAOYSA-N 0 0 415.468 4.219 20 5 HIBDRN 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846096543 /nfs/dbraw/zinc/09/65/43/846096543.db2.gz QZCYEFUQCPXIHK-MRXNPFEDSA-N 0 0 402.472 4.311 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c(OC)c1 ZINC000015829956 846098023 /nfs/dbraw/zinc/09/80/23/846098023.db2.gz HGWGJKVRKUGDOA-INIZCTEOSA-N 0 0 402.472 4.311 20 5 HIBDRN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000016002495 846110079 /nfs/dbraw/zinc/11/00/79/846110079.db2.gz KZFJRGPXIWYVLW-NRFANRHFSA-N 0 0 424.478 4.461 20 5 HIBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000016005300 846111038 /nfs/dbraw/zinc/11/10/38/846111038.db2.gz DGVCKUGEDOLPQF-UHFFFAOYSA-N 0 0 401.709 4.319 20 5 HIBDRN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1ccc(Cl)cc1 ZINC000016014857 846113131 /nfs/dbraw/zinc/11/31/31/846113131.db2.gz HKCREXRAZANUMV-UHFFFAOYSA-N 0 0 414.849 4.278 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)CSc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000016144723 846129584 /nfs/dbraw/zinc/12/95/84/846129584.db2.gz 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BAAQPLBHGVVSIB-UHFFFAOYSA-N 0 0 401.772 4.299 20 5 HIBDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000021370526 846435572 /nfs/dbraw/zinc/43/55/72/846435572.db2.gz MOWLJOHBSVHJOW-UHFFFAOYSA-N 0 0 417.878 4.177 20 5 HIBDRN COc1ccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000021421896 846440478 /nfs/dbraw/zinc/44/04/78/846440478.db2.gz QWMVNAZTHNOBII-UHFFFAOYSA-N 0 0 418.862 4.173 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCCCC3)cccc1[N+](=O)[O-] ZINC000021563839 846464103 /nfs/dbraw/zinc/46/41/03/846464103.db2.gz YVTQZXQLRDPAFW-CYBMUJFWSA-N 0 0 402.472 4.418 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000021630014 846475180 /nfs/dbraw/zinc/47/51/80/846475180.db2.gz GSDNBJVQVVKNOZ-NSHDSACASA-N 0 0 409.236 4.080 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccc(C(F)(F)F)cn1 ZINC000021635970 846476227 /nfs/dbraw/zinc/47/62/27/846476227.db2.gz KNUJGYSHLKXQPV-SECBINFHSA-N 0 0 401.366 4.137 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000021671660 846480669 /nfs/dbraw/zinc/48/06/69/846480669.db2.gz FYZVZMNHVVAKSH-CQSZACIVSA-N 0 0 416.389 4.313 20 5 HIBDRN O=C(OCc1nnsc1Cl)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000021730013 846487193 /nfs/dbraw/zinc/48/71/93/846487193.db2.gz QTTDDMNABKVINY-UHFFFAOYSA-N 0 0 404.835 4.069 20 5 HIBDRN C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021739523 846489382 /nfs/dbraw/zinc/48/93/82/846489382.db2.gz BZNWRTXSWZIGCR-NSHDSACASA-N 0 0 407.521 4.310 20 5 HIBDRN COCCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000021849386 846502736 /nfs/dbraw/zinc/50/27/36/846502736.db2.gz SEJIGWXJQUUKFB-AWEZNQCLSA-N 0 0 414.487 4.019 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)on1 ZINC000021904675 846509723 /nfs/dbraw/zinc/50/97/23/846509723.db2.gz OAXCVUMAEJSOPR-ZDUSSCGKSA-N 0 0 421.475 4.213 20 5 HIBDRN CNc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1[N+](=O)[O-] ZINC000021953911 846513645 /nfs/dbraw/zinc/51/36/45/846513645.db2.gz NMPAVCWUVXCSIA-UHFFFAOYSA-N 0 0 401.473 4.033 20 5 HIBDRN Cc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000022052228 846525614 /nfs/dbraw/zinc/52/56/14/846525614.db2.gz RATBBECRXDJLLG-OAHLLOKOSA-N 0 0 411.439 4.314 20 5 HIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000022161626 846539072 /nfs/dbraw/zinc/53/90/72/846539072.db2.gz LBVKLEANGPHAPI-UONOGXRCSA-N 0 0 402.472 4.048 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)CSCc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000022206155 846544663 /nfs/dbraw/zinc/54/46/63/846544663.db2.gz XWWXRDRHUFGNMK-ZDUSSCGKSA-N 0 0 422.890 4.360 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CC[C@H](C)C3)cccc1[N+](=O)[O-] ZINC000022245812 846548983 /nfs/dbraw/zinc/54/89/83/846548983.db2.gz ANEDGKHIWDLRNB-AAEUAGOBSA-N 0 0 402.472 4.274 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000022243565 846549089 /nfs/dbraw/zinc/54/90/89/846549089.db2.gz HOEDRQPNKZITMS-GFCCVEGCSA-N 0 0 417.849 4.315 20 5 HIBDRN CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C ZINC000022253674 846551160 /nfs/dbraw/zinc/55/11/60/846551160.db2.gz ODCKNEIDVIIONT-YJBOKZPZSA-N 0 0 409.555 4.358 20 5 HIBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000022495801 846579489 /nfs/dbraw/zinc/57/94/89/846579489.db2.gz MWFOROQMZFYHGZ-WDEREUQCSA-N 0 0 411.241 4.324 20 5 HIBDRN COc1cc(OC)c(N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl ZINC000022508502 846580700 /nfs/dbraw/zinc/58/07/00/846580700.db2.gz VWMLISGDWSXDAQ-SECBINFHSA-N 0 0 414.245 4.358 20 5 HIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000022514383 846581324 /nfs/dbraw/zinc/58/13/24/846581324.db2.gz CKVFMXBXPZCPRY-IUCAKERBSA-N 0 0 417.270 4.386 20 5 HIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000022514373 846581456 /nfs/dbraw/zinc/58/14/56/846581456.db2.gz CKVFMXBXPZCPRY-DTWKUNHWSA-N 0 0 417.270 4.386 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1c1cccs1 ZINC000022548147 846584500 /nfs/dbraw/zinc/58/45/00/846584500.db2.gz KZMZRBOYZGSAIX-FZMZJTMJSA-N 0 0 408.863 4.219 20 5 HIBDRN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000022668669 846599638 /nfs/dbraw/zinc/59/96/38/846599638.db2.gz WMTZXBMDZNXFIE-CQSZACIVSA-N 0 0 404.850 4.231 20 5 HIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1c2ccccc2CC[C@H]1C ZINC000022669606 846599932 /nfs/dbraw/zinc/59/99/32/846599932.db2.gz ZPWBJYDGDPVBBM-CHWSQXEVSA-N 0 0 402.834 4.161 20 5 HIBDRN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000022793676 846621590 /nfs/dbraw/zinc/62/15/90/846621590.db2.gz FHGIDYDFEKDGSM-CQSZACIVSA-N 0 0 404.850 4.231 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000022793626 846621913 /nfs/dbraw/zinc/62/19/13/846621913.db2.gz WXUSVOJBNWCGDI-QWRGUYRKSA-N 0 0 411.241 4.324 20 5 HIBDRN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(Cl)s2)NC(=S)N1C ZINC000022827218 846625988 /nfs/dbraw/zinc/62/59/88/846625988.db2.gz GJXGTTXJUDKRSN-HNNXBMFYSA-N 0 0 422.919 4.083 20 5 HIBDRN O=C(COC(=O)c1sc2ccccc2c1Cl)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000022925641 846637868 /nfs/dbraw/zinc/63/78/68/846637868.db2.gz SQVWEIXWCJHWQQ-UHFFFAOYSA-N 0 0 416.842 4.209 20 5 HIBDRN Cc1nn(Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000022986423 846645676 /nfs/dbraw/zinc/64/56/76/846645676.db2.gz IABYDXOJNSBNEX-UHFFFAOYSA-N 0 0 415.862 4.075 20 5 HIBDRN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000023074010 846656237 /nfs/dbraw/zinc/65/62/37/846656237.db2.gz IOEPQBRQSUXFDS-IBGZPJMESA-N 0 0 411.458 4.005 20 5 HIBDRN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000023074012 846656655 /nfs/dbraw/zinc/65/66/55/846656655.db2.gz IOEPQBRQSUXFDS-LJQANCHMSA-N 0 0 411.458 4.005 20 5 HIBDRN CC(=O)Nc1cccc(Nc2nnc(Sc3ccc(F)cc3[N+](=O)[O-])s2)c1 ZINC000023079860 846657637 /nfs/dbraw/zinc/65/76/37/846657637.db2.gz QXMIDNGSJBSITK-UHFFFAOYSA-N 0 0 405.436 4.439 20 5 HIBDRN Cc1cccc(OCCNC(=O)[C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000023214173 846671145 /nfs/dbraw/zinc/67/11/45/846671145.db2.gz GFZWPGOHHNHXHC-CYBMUJFWSA-N 0 0 417.512 4.189 20 5 HIBDRN C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000023214172 846671349 /nfs/dbraw/zinc/67/13/49/846671349.db2.gz VEVGIHNRWGMIPP-FZMZJTMJSA-N 0 0 415.496 4.325 20 5 HIBDRN COc1cccc(Cc2cnc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000023510883 846712696 /nfs/dbraw/zinc/71/26/96/846712696.db2.gz HMHAMWRSLBQZSQ-UHFFFAOYSA-N 0 0 415.496 4.382 20 5 HIBDRN C[C@H]1CCN(C(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2S1 ZINC000023552258 846719713 /nfs/dbraw/zinc/71/97/13/846719713.db2.gz MFYHHMXFRZMULJ-LBPRGKRZSA-N 0 0 420.874 4.323 20 5 HIBDRN CN(CCOc1ccccc1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000023570415 846721987 /nfs/dbraw/zinc/72/19/87/846721987.db2.gz KDEGJWQIFKMWGZ-UHFFFAOYSA-N 0 0 405.454 4.358 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(-c3c[nH]c4ccccc43)n2C[C@@H]2CCCO2)nc1 ZINC000023615140 846729735 /nfs/dbraw/zinc/72/97/35/846729735.db2.gz KJGVXTWQUNISLR-AWEZNQCLSA-N 0 0 422.470 4.060 20 5 HIBDRN CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000023632361 846733204 /nfs/dbraw/zinc/73/32/04/846733204.db2.gz HQKODVOSRFIPRH-QHCPKHFHSA-N 0 0 422.412 4.173 20 5 HIBDRN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000023644627 846736444 /nfs/dbraw/zinc/73/64/44/846736444.db2.gz GGPCFAFZOFTXPT-UHFFFAOYSA-N 0 0 416.739 4.371 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000436374019 861713698 /nfs/dbraw/zinc/71/36/98/861713698.db2.gz XVABGBFOWJDCPU-JTQLQIEISA-N 0 0 422.285 4.080 20 5 HIBDRN CCOc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000023992956 846769088 /nfs/dbraw/zinc/76/90/88/846769088.db2.gz BWGAODGWFRQORK-UHFFFAOYSA-N 0 0 409.442 4.227 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCc1ccccn1)Cc1ccncc1 ZINC000436374608 861716477 /nfs/dbraw/zinc/71/64/77/861716477.db2.gz VOVNXTLXJFRCFB-UHFFFAOYSA-N 0 0 405.458 4.278 20 5 HIBDRN CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000024046952 846781704 /nfs/dbraw/zinc/78/17/04/846781704.db2.gz BNJUOTTZAJIBIE-GFCCVEGCSA-N 0 0 418.833 4.415 20 5 HIBDRN C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000024066317 846783707 /nfs/dbraw/zinc/78/37/07/846783707.db2.gz DRAZXBCDYJRHGH-ZDUSSCGKSA-N 0 0 418.396 4.030 20 5 HIBDRN CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000024124642 846792931 /nfs/dbraw/zinc/79/29/31/846792931.db2.gz WDPSZJVLNDWGAK-AWEZNQCLSA-N 0 0 416.499 4.382 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000024124774 846793109 /nfs/dbraw/zinc/79/31/09/846793109.db2.gz XQQOSQNQMBFDRN-STQMWFEESA-N 0 0 422.890 4.149 20 5 HIBDRN C[C@H](NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000024212031 846802715 /nfs/dbraw/zinc/80/27/15/846802715.db2.gz LYLHQASJRWPSLL-ZDUSSCGKSA-N 0 0 412.829 4.436 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccccc1NC(=O)Cc1ccccc1 ZINC000024218408 846803023 /nfs/dbraw/zinc/80/30/23/846803023.db2.gz VFLUBZFVIWCOFO-UHFFFAOYSA-N 0 0 420.421 4.142 20 5 HIBDRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000024445865 846825327 /nfs/dbraw/zinc/82/53/27/846825327.db2.gz QVUWLDXEILVBEE-UHFFFAOYSA-N 0 0 412.467 4.307 20 5 HIBDRN O=C(CSc1nccn1Cc1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000024715817 846857772 /nfs/dbraw/zinc/85/77/72/846857772.db2.gz ORJZQQSXICLNFB-UHFFFAOYSA-N 0 0 402.863 4.224 20 5 HIBDRN O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000024777710 846866325 /nfs/dbraw/zinc/86/63/25/846866325.db2.gz WVSWEVRETHYHEN-UHFFFAOYSA-N 0 0 424.269 4.213 20 5 HIBDRN COc1cc(C(=O)Nc2cnn(C)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000025305468 846956854 /nfs/dbraw/zinc/95/68/54/846956854.db2.gz KXMNJAVBWYJRAY-UHFFFAOYSA-N 0 0 402.794 4.035 20 5 HIBDRN Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000025370297 846969055 /nfs/dbraw/zinc/96/90/55/846969055.db2.gz UNXHFDIJCQMZJG-UHFFFAOYSA-N 0 0 408.483 4.079 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(F)c1 ZINC000025374921 846969972 /nfs/dbraw/zinc/96/99/72/846969972.db2.gz OXCZZWZNAMLJAX-NSHDSACASA-N 0 0 402.403 4.441 20 5 HIBDRN CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(CC)cccc2CC)cc1[N+](=O)[O-] ZINC000025387207 846971789 /nfs/dbraw/zinc/97/17/89/846971789.db2.gz FPNCBLGBIRYLMB-AWEZNQCLSA-N 0 0 414.458 4.302 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCc2cccc(Br)c2C1 ZINC000436394710 861739538 /nfs/dbraw/zinc/73/95/38/861739538.db2.gz VVAAIBLCRXGKTA-UHFFFAOYSA-N 0 0 402.170 4.334 20 5 HIBDRN Cc1cc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)ccc1[N+](=O)[O-] ZINC000025549220 846999197 /nfs/dbraw/zinc/99/91/97/846999197.db2.gz XRMRBHUXELMQTQ-UHFFFAOYSA-N 0 0 414.259 4.346 20 5 HIBDRN CCOc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])cc1OC ZINC000025622324 847008340 /nfs/dbraw/zinc/00/83/40/847008340.db2.gz QQJKRGOUTXSPSH-UHFFFAOYSA-N 0 0 421.356 4.104 20 5 HIBDRN CC(C)OCCCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000025711891 847023669 /nfs/dbraw/zinc/02/36/69/847023669.db2.gz BCNGEZKQINXSEY-UHFFFAOYSA-N 0 0 405.882 4.405 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC(OCc2ccccc2)CC1 ZINC000025867023 847048190 /nfs/dbraw/zinc/04/81/90/847048190.db2.gz FVRNRLDVCCMWPA-UHFFFAOYSA-N 0 0 409.486 4.016 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc([N+](=O)[O-])c1 ZINC000025929654 847058938 /nfs/dbraw/zinc/05/89/38/847058938.db2.gz FSKXZXKGGFMRMF-UHFFFAOYSA-N 0 0 407.382 4.166 20 5 HIBDRN O=C(Nc1cccc(COc2cccc(F)c2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026011181 847071840 /nfs/dbraw/zinc/07/18/40/847071840.db2.gz HDUSGONTMTUZFZ-UHFFFAOYSA-N 0 0 410.357 4.294 20 5 HIBDRN COc1cc(C(=O)N(C)c2nc3cccc(Cl)c3s2)cc([N+](=O)[O-])c1OC ZINC000436404151 861752072 /nfs/dbraw/zinc/75/20/72/861752072.db2.gz CZYCAFCFOLCCLE-UHFFFAOYSA-N 0 0 407.835 4.152 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000026115474 847089249 /nfs/dbraw/zinc/08/92/49/847089249.db2.gz QEEHAWDBNHLRKE-CYBMUJFWSA-N 0 0 411.439 4.211 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(C)cccc2[N+](=O)[O-])c(Br)c1 ZINC000026122001 847091503 /nfs/dbraw/zinc/09/15/03/847091503.db2.gz UTZDVDUOLBFOAE-GFCCVEGCSA-N 0 0 421.247 4.158 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)OCCCC(=O)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000026160081 847097274 /nfs/dbraw/zinc/09/72/74/847097274.db2.gz FRYIJWWPSUOCEN-UHFFFAOYSA-N 0 0 421.453 4.276 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)sc2Cl)cccc1[N+](=O)[O-] ZINC000026343000 847127965 /nfs/dbraw/zinc/12/79/65/847127965.db2.gz CRRPBRUGHFUPKQ-MRVPVSSYSA-N 0 0 403.243 4.456 20 5 HIBDRN CN(CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026348227 847129870 /nfs/dbraw/zinc/12/98/70/847129870.db2.gz GFBXPOJNKGCFBG-OAQYLSRUSA-N 0 0 413.474 4.133 20 5 HIBDRN CN(Cc1nnc(-c2ccccc2Br)o1)Cc1ccccc1[N+](=O)[O-] ZINC000026347944 847130250 /nfs/dbraw/zinc/13/02/50/847130250.db2.gz GYFYFOCFZQBEMH-UHFFFAOYSA-N 0 0 403.236 4.039 20 5 HIBDRN COc1ccc(OC)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000026392052 847138641 /nfs/dbraw/zinc/13/86/41/847138641.db2.gz WQXYVDJTMQBDMI-HNNXBMFYSA-N 0 0 413.474 4.093 20 5 HIBDRN O=C(CSc1cc(Cl)ccc1Cl)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026470032 847154811 /nfs/dbraw/zinc/15/48/11/847154811.db2.gz LVPSDMPRVTVSGE-UHFFFAOYSA-N 0 0 401.227 4.361 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)CSc2ccc3c(c2)CCC3)cccc1[N+](=O)[O-] ZINC000026594039 847174988 /nfs/dbraw/zinc/17/49/88/847174988.db2.gz ZWZCKTJXXYAFNJ-CQSZACIVSA-N 0 0 414.483 4.054 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000026607975 847175774 /nfs/dbraw/zinc/17/57/74/847175774.db2.gz OAFQGFRZTLSRFR-CQSZACIVSA-N 0 0 407.392 4.133 20 5 HIBDRN CCn1c(SCc2nc3ccccc3c3ccccc23)nnc1N1CCOCC1 ZINC000026613702 847175938 /nfs/dbraw/zinc/17/59/38/847175938.db2.gz QNSWZGAQQWLHJH-UHFFFAOYSA-N 0 0 405.527 4.128 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(CC(=O)Nc3c(C)cccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000026639348 847178695 /nfs/dbraw/zinc/17/86/95/847178695.db2.gz BPZJJDXJJBDXRO-UHFFFAOYSA-N 0 0 409.486 4.053 20 5 HIBDRN Cc1ccc(C(=O)C2CCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000026640512 847178737 /nfs/dbraw/zinc/17/87/37/847178737.db2.gz DEXBXFSCRJCMRU-QGZVFWFLSA-N 0 0 409.486 4.134 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c(C)c1 ZINC000026639375 847178809 /nfs/dbraw/zinc/17/88/09/847178809.db2.gz YXEBPXCSHKGQBH-UHFFFAOYSA-N 0 0 409.486 4.053 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000026704385 847188028 /nfs/dbraw/zinc/18/80/28/847188028.db2.gz WPTMGJQDGPMEEI-UHFFFAOYSA-N 0 0 402.403 4.307 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2C2CC2)cccc1[N+](=O)[O-] ZINC000026829401 847204172 /nfs/dbraw/zinc/20/41/72/847204172.db2.gz BDNBSWQLMBGKDG-ZDUSSCGKSA-N 0 0 424.486 4.011 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)c1 ZINC000026868332 847210787 /nfs/dbraw/zinc/21/07/87/847210787.db2.gz JAOYQWSIMBZZAT-KRWDZBQOSA-N 0 0 416.890 4.223 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000026865320 847210945 /nfs/dbraw/zinc/21/09/45/847210945.db2.gz OHBNEYKRCBYVGM-LJQANCHMSA-N 0 0 402.472 4.215 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000026941044 847224537 /nfs/dbraw/zinc/22/45/37/847224537.db2.gz DHFWRKNKUAQOOC-LJQANCHMSA-N 0 0 416.430 4.332 20 5 HIBDRN COc1ccc([C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C2CC2)cc1 ZINC000026952557 847226894 /nfs/dbraw/zinc/22/68/94/847226894.db2.gz CMUCBMQJVLYDHO-RUZDIDTESA-N 0 0 412.489 4.431 20 5 HIBDRN Cc1nc2ccccc2c(C)c1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000027011789 847234557 /nfs/dbraw/zinc/23/45/57/847234557.db2.gz BXQNZACSYFVPAW-HNNXBMFYSA-N 0 0 407.426 4.252 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H](c2nccs2)C1 ZINC000436417857 861772369 /nfs/dbraw/zinc/77/23/69/861772369.db2.gz OSHSNSLTGZVRAP-ZDUSSCGKSA-N 0 0 407.470 4.297 20 5 HIBDRN CNC(=O)c1ccccc1NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000027400264 847297672 /nfs/dbraw/zinc/29/76/72/847297672.db2.gz JBDYBNPDYFWRJC-UHFFFAOYSA-N 0 0 401.488 4.345 20 5 HIBDRN CCOc1cc(C(=O)OCc2c(C)cc(C)c(C(C)=O)c2C)c([N+](=O)[O-])cc1OC ZINC000028000442 847373594 /nfs/dbraw/zinc/37/35/94/847373594.db2.gz MXVYMCXJEZWWDX-UHFFFAOYSA-N 0 0 415.442 4.487 20 5 HIBDRN O=C(N[C@@H]1CCSc2c(F)cccc21)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000028043502 847379017 /nfs/dbraw/zinc/37/90/17/847379017.db2.gz IEZSFZDWHYYQFU-QGZVFWFLSA-N 0 0 401.463 4.301 20 5 HIBDRN CCOC(=O)c1cc(C(=O)OCc2csc(-c3ccsc3)n2)cc([N+](=O)[O-])c1 ZINC000028125755 847386266 /nfs/dbraw/zinc/38/62/66/847386266.db2.gz WMJKATTXXXXGAX-UHFFFAOYSA-N 0 0 418.452 4.314 20 5 HIBDRN O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000028301171 847404038 /nfs/dbraw/zinc/40/40/38/847404038.db2.gz UYDQWFBNWIGOJH-UHFFFAOYSA-N 0 0 417.632 4.279 20 5 HIBDRN O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000028301156 847404168 /nfs/dbraw/zinc/40/41/68/847404168.db2.gz JACHNBDUPYWWNX-UHFFFAOYSA-N 0 0 417.632 4.279 20 5 HIBDRN O=C(OCCOC(c1ccccc1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000028310626 847405216 /nfs/dbraw/zinc/40/52/16/847405216.db2.gz KSVQYNGNYUMUEL-UHFFFAOYSA-N 0 0 421.405 4.287 20 5 HIBDRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000028327958 847406092 /nfs/dbraw/zinc/40/60/92/847406092.db2.gz AATUXMWIZUUBLY-VIFPVBQESA-N 0 0 408.785 4.307 20 5 HIBDRN Cc1ccc(C(C)C)cc1OCC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000028626615 847438172 /nfs/dbraw/zinc/43/81/72/847438172.db2.gz UFSHDQRUAGAKMA-UHFFFAOYSA-N 0 0 411.414 4.199 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3N3CCCC3=O)cc2[N+](=O)[O-])C1 ZINC000028749364 847456092 /nfs/dbraw/zinc/45/60/92/847456092.db2.gz DWMVIRPPEOSZRC-MRXNPFEDSA-N 0 0 422.485 4.210 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000028788845 847460421 /nfs/dbraw/zinc/46/04/21/847460421.db2.gz PXLCRCPAPWFPLG-UHFFFAOYSA-N 0 0 400.485 4.127 20 5 HIBDRN CCOc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)sc2c1 ZINC000028837996 847467027 /nfs/dbraw/zinc/46/70/27/847467027.db2.gz OAXWCBKNOSRTNN-UHFFFAOYSA-N 0 0 402.388 4.072 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000028842516 847468184 /nfs/dbraw/zinc/46/81/84/847468184.db2.gz YSWXZLWHEHBWKA-UHFFFAOYSA-N 0 0 413.333 4.364 20 5 HIBDRN CCN(CC)c1ccc(-c2nnc(Sc3nc4ccccn4c3[N+](=O)[O-])n2C)cc1 ZINC000028977778 847486695 /nfs/dbraw/zinc/48/66/95/847486695.db2.gz BUVIHNWEGTXCBO-UHFFFAOYSA-N 0 0 423.502 4.035 20 5 HIBDRN O=[N+]([O-])c1ccccc1Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1 ZINC000029003558 847490803 /nfs/dbraw/zinc/49/08/03/847490803.db2.gz IUYNWHHSZKPWRS-UHFFFAOYSA-N 0 0 413.478 4.452 20 5 HIBDRN C[C@H](c1nnc(Sc2ncccc2[N+](=O)[O-])n1-c1ccccc1)N1CCCCC1 ZINC000029004856 847492313 /nfs/dbraw/zinc/49/23/13/847492313.db2.gz RDORRCLPCQELFZ-OAHLLOKOSA-N 0 0 410.503 4.269 20 5 HIBDRN COC(=O)[C@H](C)NC(=O)c1ccc(N[C@H](C)c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000029070856 847500086 /nfs/dbraw/zinc/50/00/86/847500086.db2.gz CSQXUZCXSXYGJH-CABCVRRESA-N 0 0 421.453 4.212 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000029097644 847505133 /nfs/dbraw/zinc/50/51/33/847505133.db2.gz FFNBVWPVPSCDPA-DLBZAZTESA-N 0 0 417.465 4.258 20 5 HIBDRN COCCOc1ccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000029216048 847526149 /nfs/dbraw/zinc/52/61/49/847526149.db2.gz HPYIJOZRHGJTLB-INIZCTEOSA-N 0 0 413.474 4.109 20 5 HIBDRN COc1ccc(Br)cc1CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000029289783 847541015 /nfs/dbraw/zinc/54/10/15/847541015.db2.gz HPYVHIKBKSBQDC-BJMVGYQFSA-N 0 0 405.248 4.038 20 5 HIBDRN C[C@@H](Cc1nnc(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000029378187 847555646 /nfs/dbraw/zinc/55/56/46/847555646.db2.gz TWURPQZKAWXROM-AWEZNQCLSA-N 0 0 412.471 4.079 20 5 HIBDRN CCCCn1c(C)c(C)nc1S[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000029627495 847590837 /nfs/dbraw/zinc/59/08/37/847590837.db2.gz JCDWVRSXUIDRBQ-CQSZACIVSA-N 0 0 406.508 4.336 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000436453061 861809453 /nfs/dbraw/zinc/80/94/53/861809453.db2.gz NPOHWQRFXUZOCS-UHFFFAOYSA-N 0 0 403.398 4.060 20 5 HIBDRN CC(=O)Nc1cccc(Nc2nnc(SCc3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000029750011 847613231 /nfs/dbraw/zinc/61/32/31/847613231.db2.gz ONYJNDZFRDZDSD-UHFFFAOYSA-N 0 0 401.473 4.441 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000029829413 847628445 /nfs/dbraw/zinc/62/84/45/847628445.db2.gz OSXSQVIVLVVSQU-HZPDHXFCSA-N 0 0 408.458 4.251 20 5 HIBDRN CC1(C)CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 ZINC000030195438 847687979 /nfs/dbraw/zinc/68/79/79/847687979.db2.gz NSBMOJFQJNECMN-SFHVURJKSA-N 0 0 403.866 4.039 20 5 HIBDRN COc1ccc(CN([C@H](C)C2CC2)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000030336872 847704580 /nfs/dbraw/zinc/70/45/80/847704580.db2.gz DIKJEHDWYOTMLB-MRXNPFEDSA-N 0 0 418.515 4.210 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-] ZINC000030503840 847722287 /nfs/dbraw/zinc/72/22/87/847722287.db2.gz HVVUBDDYUKLPLB-IBGZPJMESA-N 0 0 411.458 4.262 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3nc4ccccc4[nH]3)cc2[N+](=O)[O-])C1 ZINC000030658040 847754540 /nfs/dbraw/zinc/75/45/40/847754540.db2.gz REGQEESRQOQLFM-HZPDHXFCSA-N 0 0 421.501 4.226 20 5 HIBDRN CC(C)c1ccc(CN(C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 ZINC000030842815 847784503 /nfs/dbraw/zinc/78/45/03/847784503.db2.gz IILUJZMBLAUBJK-UHFFFAOYSA-N 0 0 411.458 4.065 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000031819573 847955961 /nfs/dbraw/zinc/95/59/61/847955961.db2.gz JROGSYVBIDQBNK-UHFFFAOYSA-N 0 0 401.466 4.016 20 5 HIBDRN O=C(c1ccccc1)c1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000031840606 847957667 /nfs/dbraw/zinc/95/76/67/847957667.db2.gz DBMKDHZEHKXKTN-UHFFFAOYSA-N 0 0 401.378 4.455 20 5 HIBDRN O=C(Nc1cc(Br)ccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000031950884 847969197 /nfs/dbraw/zinc/96/91/97/847969197.db2.gz XSXQQMJZJBOMJK-UHFFFAOYSA-N 0 0 400.026 4.372 20 5 HIBDRN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032153529 847989544 /nfs/dbraw/zinc/98/95/44/847989544.db2.gz GXJKAGCHCHDKLA-UHFFFAOYSA-N 0 0 405.241 4.360 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000032154097 847989556 /nfs/dbraw/zinc/98/95/56/847989556.db2.gz XZWXZNWYAWMHJQ-UHFFFAOYSA-N 0 0 415.515 4.466 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000032335738 848006789 /nfs/dbraw/zinc/00/67/89/848006789.db2.gz KBRHIVSCAGOLRL-UHFFFAOYSA-N 0 0 401.488 4.076 20 5 HIBDRN CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000032419075 848022023 /nfs/dbraw/zinc/02/20/23/848022023.db2.gz UZMPZOIEOALXBR-HOTGVXAUSA-N 0 0 403.479 4.004 20 5 HIBDRN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000032419074 848022204 /nfs/dbraw/zinc/02/22/04/848022204.db2.gz UZMPZOIEOALXBR-CVEARBPZSA-N 0 0 403.479 4.004 20 5 HIBDRN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000032419077 848022795 /nfs/dbraw/zinc/02/27/95/848022795.db2.gz UZMPZOIEOALXBR-JKSUJKDBSA-N 0 0 403.479 4.004 20 5 HIBDRN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000032591210 848050996 /nfs/dbraw/zinc/05/09/96/848050996.db2.gz WSPVSINNWJHLOE-UHFFFAOYSA-N 0 0 418.496 4.369 20 5 HIBDRN CNc1ccc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000032676505 848062103 /nfs/dbraw/zinc/06/21/03/848062103.db2.gz NDQCQJDSDHVQCC-OAHLLOKOSA-N 0 0 406.442 4.102 20 5 HIBDRN CCCCOc1ccc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1OC ZINC000032749220 848071703 /nfs/dbraw/zinc/07/17/03/848071703.db2.gz LYZVNQNBIVBTTL-UHFFFAOYSA-N 0 0 404.488 4.434 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(NC(N)=O)cc2)cc1 ZINC000032937341 848093745 /nfs/dbraw/zinc/09/37/45/848093745.db2.gz ZRAFTYPIKUVWOS-UHFFFAOYSA-N 0 0 422.397 4.139 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000033180091 848119789 /nfs/dbraw/zinc/11/97/89/848119789.db2.gz UJLQANGZNUKZPG-ROUUACIJSA-N 0 0 422.510 4.483 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC000436612076 861869608 /nfs/dbraw/zinc/86/96/08/861869608.db2.gz ZLHDBDQHRHQJOP-OAQYLSRUSA-N 0 0 419.437 4.109 20 5 HIBDRN Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[N+](=O)[O-] ZINC000035281744 848144827 /nfs/dbraw/zinc/14/48/27/848144827.db2.gz QJZTZDCDFALEHW-MRXNPFEDSA-N 0 0 410.405 4.112 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000036764932 848160804 /nfs/dbraw/zinc/16/08/04/848160804.db2.gz JOLGHNAGCAPHPW-UHFFFAOYSA-N 0 0 405.241 4.060 20 5 HIBDRN CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000041898052 848264160 /nfs/dbraw/zinc/26/41/60/848264160.db2.gz VLUUCBGWISHBSW-CYBMUJFWSA-N 0 0 410.373 4.095 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000041930321 848265755 /nfs/dbraw/zinc/26/57/55/848265755.db2.gz BKYUKCIRHCKQKN-LBPRGKRZSA-N 0 0 419.890 4.494 20 5 HIBDRN CN(C)C(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1Cl ZINC000041934717 848266530 /nfs/dbraw/zinc/26/65/30/848266530.db2.gz ZVNAKUWGOCXOJX-UHFFFAOYSA-N 0 0 403.847 4.417 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(CN3CCCCC3)n2-c2ccccc2)c(F)c1 ZINC000042097213 848285462 /nfs/dbraw/zinc/28/54/62/848285462.db2.gz GNQXCLNUESWMBK-UHFFFAOYSA-N 0 0 413.478 4.452 20 5 HIBDRN O=C(c1ccccc1O)N1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000436661889 861886528 /nfs/dbraw/zinc/88/65/28/861886528.db2.gz XLUZIUPMADVKGR-UHFFFAOYSA-N 0 0 409.364 4.036 20 5 HIBDRN COc1ccc(CSc2n[nH]c(COc3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000042152093 848293894 /nfs/dbraw/zinc/29/38/94/848293894.db2.gz XHTPAFNNKGQQED-UHFFFAOYSA-N 0 0 406.851 4.246 20 5 HIBDRN O=[N+]([O-])c1cccc(OCCSc2n[nH]c(COc3ccc(Cl)cc3)n2)c1 ZINC000042152092 848294372 /nfs/dbraw/zinc/29/43/72/848294372.db2.gz KFAVVYZFPIYRTO-UHFFFAOYSA-N 0 0 406.851 4.116 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000042223537 848304297 /nfs/dbraw/zinc/30/42/97/848304297.db2.gz SJYQBMMTUKAINF-CYBMUJFWSA-N 0 0 419.865 4.136 20 5 HIBDRN CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000043056990 848379412 /nfs/dbraw/zinc/37/94/12/848379412.db2.gz TVBNKFVLEGFECZ-UHFFFAOYSA-N 0 0 410.474 4.350 20 5 HIBDRN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000043092603 848383533 /nfs/dbraw/zinc/38/35/33/848383533.db2.gz KBAZAELTODXBLT-INIZCTEOSA-N 0 0 419.437 4.103 20 5 HIBDRN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342799 848412250 /nfs/dbraw/zinc/41/22/50/848412250.db2.gz DJIXLMBJECWTJH-LBPRGKRZSA-N 0 0 400.826 4.054 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(C)c(I)c2)cc1[N+](=O)[O-] ZINC000043740596 848457175 /nfs/dbraw/zinc/45/71/75/848457175.db2.gz MCLGJSVYVRYDBA-UHFFFAOYSA-N 0 0 402.213 4.130 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl ZINC000044206508 848530049 /nfs/dbraw/zinc/53/00/49/848530049.db2.gz NMJUGYXHFIUCNE-UHFFFAOYSA-N 0 0 418.881 4.390 20 5 HIBDRN Cc1cccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C(=O)N1CCCC1 ZINC000044537703 848566595 /nfs/dbraw/zinc/56/65/95/848566595.db2.gz GFIZXTRMFLLSNL-HNNXBMFYSA-N 0 0 413.499 4.259 20 5 HIBDRN COc1ccc(F)cc1-c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000044542703 848568472 /nfs/dbraw/zinc/56/84/72/848568472.db2.gz WGOAXHRUCDLVRF-UHFFFAOYSA-N 0 0 407.810 4.772 20 5 HIBDRN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000044653492 848588815 /nfs/dbraw/zinc/58/88/15/848588815.db2.gz HZQKIKIVURCBFW-UHFFFAOYSA-N 0 0 404.411 4.100 20 5 HIBDRN COc1ccc(CN(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000044818687 848607198 /nfs/dbraw/zinc/60/71/98/848607198.db2.gz YBQDNWFVTNVIDU-UHFFFAOYSA-N 0 0 414.405 4.373 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)[C@@H](C)c3ccccc3F)cc2)c(C)c1[N+](=O)[O-] ZINC000045193141 848645262 /nfs/dbraw/zinc/64/52/62/848645262.db2.gz VCQXHBWONRQPEO-HNNXBMFYSA-N 0 0 410.449 4.429 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1[N+](=O)[O-] ZINC000045518101 848687951 /nfs/dbraw/zinc/68/79/51/848687951.db2.gz NDTPYUXXFKIPQR-CYBMUJFWSA-N 0 0 412.421 4.118 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC000045622034 848703676 /nfs/dbraw/zinc/70/36/76/848703676.db2.gz QBEARPSTVCNCIV-OAQYLSRUSA-N 0 0 417.421 4.098 20 5 HIBDRN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cc2ccccc2c2cccnc12 ZINC000045769670 848724511 /nfs/dbraw/zinc/72/45/11/848724511.db2.gz NVLZIPNPTJTVMW-UHFFFAOYSA-N 0 0 409.445 4.289 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000045808447 848732895 /nfs/dbraw/zinc/73/28/95/848732895.db2.gz QRWLAPTWRFCTLM-SJORKVTESA-N 0 0 407.474 4.085 20 5 HIBDRN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000045837962 848738530 /nfs/dbraw/zinc/73/85/30/848738530.db2.gz QDDPWEBFEKVLEZ-UHFFFAOYSA-N 0 0 419.315 4.347 20 5 HIBDRN CC(=O)Nc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1F ZINC000045869331 848743188 /nfs/dbraw/zinc/74/31/88/848743188.db2.gz GTYAYTDUSKQWPA-UHFFFAOYSA-N 0 0 414.437 4.181 20 5 HIBDRN COc1cc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000045891567 848747697 /nfs/dbraw/zinc/74/76/97/848747697.db2.gz FFKMVOMJVAXJIS-UHFFFAOYSA-N 0 0 415.490 4.370 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000045940494 848756265 /nfs/dbraw/zinc/75/62/65/848756265.db2.gz KSTDJLMDUVMHRC-AWEZNQCLSA-N 0 0 410.474 4.084 20 5 HIBDRN CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000046213014 848805005 /nfs/dbraw/zinc/80/50/05/848805005.db2.gz UKILQIQDGNFIFN-HNNXBMFYSA-N 0 0 418.515 4.455 20 5 HIBDRN Cc1ccc(Br)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000046373541 848835153 /nfs/dbraw/zinc/83/51/53/848835153.db2.gz SAWVEXVJIYCDFA-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCOc2cccc(C(F)(F)F)c2)c1 ZINC000046479788 848858632 /nfs/dbraw/zinc/85/86/32/848858632.db2.gz JVVZVHDQRRAKIY-UHFFFAOYSA-N 0 0 400.378 4.144 20 5 HIBDRN CCOc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1OC ZINC000046513529 848863694 /nfs/dbraw/zinc/86/36/94/848863694.db2.gz BDYSMQZKFJLGCM-UHFFFAOYSA-N 0 0 414.336 4.196 20 5 HIBDRN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000046599323 848882900 /nfs/dbraw/zinc/88/29/00/848882900.db2.gz UVJDDMKJZVQLNP-HNNXBMFYSA-N 0 0 402.520 4.238 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc3ccccc3c2)cc1OC ZINC000046642164 848895767 /nfs/dbraw/zinc/89/57/67/848895767.db2.gz ODWONSIDLUDNFS-UHFFFAOYSA-N 0 0 424.453 4.054 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccncc1 ZINC000046672157 848904452 /nfs/dbraw/zinc/90/44/52/848904452.db2.gz QBHDCUHCLAVEGF-OAHLLOKOSA-N 0 0 407.426 4.068 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccncc1 ZINC000046673431 848905104 /nfs/dbraw/zinc/90/51/04/848905104.db2.gz QGSOANSRXLBNBR-OAHLLOKOSA-N 0 0 407.426 4.068 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2csc([N+](=O)[O-])c2)ccc1OCc1ccncc1 ZINC000046673537 848906144 /nfs/dbraw/zinc/90/61/44/848906144.db2.gz KFFZYROVRVSLJY-CYBMUJFWSA-N 0 0 413.455 4.130 20 5 HIBDRN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC000046674761 848906172 /nfs/dbraw/zinc/90/61/72/848906172.db2.gz KGJHOTYFAQDFPJ-LJQANCHMSA-N 0 0 419.485 4.450 20 5 HIBDRN CN(CCCOc1ccc(F)cc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000046690062 848911129 /nfs/dbraw/zinc/91/11/29/848911129.db2.gz VZIKURVICIPBCA-UHFFFAOYSA-N 0 0 418.468 4.221 20 5 HIBDRN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000046762274 848929772 /nfs/dbraw/zinc/92/97/72/848929772.db2.gz VAVZQPJLVQOPMJ-KRWDZBQOSA-N 0 0 414.874 4.401 20 5 HIBDRN CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)cc(Br)c1O ZINC000436768612 861960664 /nfs/dbraw/zinc/96/06/64/861960664.db2.gz JIRSTTQJGUJDPY-UHFFFAOYSA-N 0 0 420.219 4.487 20 5 HIBDRN Cc1cc(C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000047162055 848994909 /nfs/dbraw/zinc/99/49/09/848994909.db2.gz QQCRLUWFZVQVGX-UHFFFAOYSA-N 0 0 408.483 4.170 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000047166685 848995585 /nfs/dbraw/zinc/99/55/85/848995585.db2.gz GORHWWLELCLCOE-UHFFFAOYSA-N 0 0 415.421 4.270 20 5 HIBDRN C[C@H](NC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000047570065 849074423 /nfs/dbraw/zinc/07/44/23/849074423.db2.gz XPQFAIPEDDFIMQ-BBWFWOEESA-N 0 0 412.490 4.087 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000047729261 849100098 /nfs/dbraw/zinc/10/00/98/849100098.db2.gz QJSLRPZQVQSEFX-NSHDSACASA-N 0 0 402.838 4.023 20 5 HIBDRN C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745576 849103180 /nfs/dbraw/zinc/10/31/80/849103180.db2.gz PLIZBJCYYYZQSE-AWEZNQCLSA-N 0 0 401.417 4.223 20 5 HIBDRN COc1cc(CCNC(=O)c2ccc(SC(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000048281729 849203412 /nfs/dbraw/zinc/20/34/12/849203412.db2.gz LYQJXGUJKLYGTF-UHFFFAOYSA-N 0 0 404.488 4.085 20 5 HIBDRN O=C(CSc1ncccc1[N+](=O)[O-])Nc1cccc(CSc2ccccn2)c1 ZINC000050248366 849365456 /nfs/dbraw/zinc/36/54/56/849365456.db2.gz KCUIUWOTJRQOAQ-UHFFFAOYSA-N 0 0 412.496 4.408 20 5 HIBDRN COCCN(Cc1cccs1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050296009 849369790 /nfs/dbraw/zinc/36/97/90/849369790.db2.gz SWRLHIMHRIRWIX-UHFFFAOYSA-N 0 0 403.485 4.069 20 5 HIBDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000050311188 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852075271 /nfs/dbraw/zinc/07/52/71/852075271.db2.gz QMGRJDBSRCVXPB-UHFFFAOYSA-N 0 0 421.482 4.060 20 5 HIBDRN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2c2cccnc12 ZINC000065141142 852076343 /nfs/dbraw/zinc/07/63/43/852076343.db2.gz VWJASFVHQAWDGK-UHFFFAOYSA-N 0 0 424.909 4.245 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NC2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000065200563 852086300 /nfs/dbraw/zinc/08/63/00/852086300.db2.gz NNBKCHLQAXWSAL-UHFFFAOYSA-N 0 0 407.392 4.264 20 5 HIBDRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCCCOc1ccccc1C(F)(F)F ZINC000065276979 852098052 /nfs/dbraw/zinc/09/80/52/852098052.db2.gz GAQNLIYEYONYJG-UHFFFAOYSA-N 0 0 408.332 4.069 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000065308469 852103728 /nfs/dbraw/zinc/10/37/28/852103728.db2.gz RMELWYJZQMIDPN-UHFFFAOYSA-N 0 0 407.451 4.353 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000065450278 852138374 /nfs/dbraw/zinc/13/83/74/852138374.db2.gz WRVKEDQDTBIESD-CYBMUJFWSA-N 0 0 411.336 4.371 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)c2ncccc12 ZINC000065451214 852139416 /nfs/dbraw/zinc/13/94/16/852139416.db2.gz GRDZEDIPKYOBCX-UHFFFAOYSA-N 0 0 402.357 4.109 20 5 HIBDRN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437134923 862325941 /nfs/dbraw/zinc/32/59/41/862325941.db2.gz QHSRXLUMJGYAPI-UHFFFAOYSA-N 0 0 404.348 4.072 20 5 HIBDRN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc(-c2cccc(F)c2)no1 ZINC000437138162 862330416 /nfs/dbraw/zinc/33/04/16/862330416.db2.gz PPLNVTRSKZHOGY-JTQLQIEISA-N 0 0 412.402 4.490 20 5 HIBDRN Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000065579981 852191350 /nfs/dbraw/zinc/19/13/50/852191350.db2.gz RXRDLJJUPMTZTC-UHFFFAOYSA-N 0 0 408.389 4.129 20 5 HIBDRN O=C(c1cc(N2CCC(COc3ccccc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000065587017 852192595 /nfs/dbraw/zinc/19/25/95/852192595.db2.gz MQIZXABQKVASAG-UHFFFAOYSA-N 0 0 409.486 4.126 20 5 HIBDRN 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O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000109912661 853034845 /nfs/dbraw/zinc/03/48/45/853034845.db2.gz WUNBIAPTWATTOS-UHFFFAOYSA-N 0 0 410.455 4.349 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000110005847 853045855 /nfs/dbraw/zinc/04/58/55/853045855.db2.gz CSPXBOLCTQKPRF-OAHLLOKOSA-N 0 0 406.483 4.014 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1ccc(Oc2ccccc2)cc1 ZINC000110480003 853105327 /nfs/dbraw/zinc/10/53/27/853105327.db2.gz GVKZLLUPKQAWPL-INIZCTEOSA-N 0 0 419.437 4.168 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000110851804 853156020 /nfs/dbraw/zinc/15/60/20/853156020.db2.gz AMAIFBDZXLGFAY-INIZCTEOSA-N 0 0 400.378 4.139 20 5 HIBDRN O=C(Nc1nnc(C(F)F)s1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000115875403 853269455 /nfs/dbraw/zinc/26/94/55/853269455.db2.gz YWOMAMHWHIVTMQ-UHFFFAOYSA-N 0 0 405.386 4.248 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(COC(C)C)c2)c([N+](=O)[O-])cc1OC(F)F 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GGTLXDKSZXTFAF-UHFFFAOYSA-N 0 0 402.357 4.473 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(CCc1ccccc1)C1CCCC1 ZINC000116993221 853340905 /nfs/dbraw/zinc/34/09/05/853340905.db2.gz IMYXQBQUFPOQHB-UHFFFAOYSA-N 0 0 404.470 4.408 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1Cl ZINC000117215237 853348448 /nfs/dbraw/zinc/34/84/48/853348448.db2.gz IXWVPWUYWKHBFN-UHFFFAOYSA-N 0 0 400.822 4.473 20 5 HIBDRN COc1cccc(COCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1 ZINC000117212265 853348566 /nfs/dbraw/zinc/34/85/66/853348566.db2.gz UBDXXTZQZIWJKY-UHFFFAOYSA-N 0 0 413.455 4.191 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000437241652 862455559 /nfs/dbraw/zinc/45/55/59/862455559.db2.gz XDRFMSLSISOPBU-UHFFFAOYSA-N 0 0 423.400 4.199 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000138373031 853384159 /nfs/dbraw/zinc/38/41/59/853384159.db2.gz BONLPDQAVNXKLR-OAHLLOKOSA-N 0 0 418.877 4.223 20 5 HIBDRN 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ZINC000139813631 853422357 /nfs/dbraw/zinc/42/23/57/853422357.db2.gz JSKKZEPTGUVZGP-MHECFPHRSA-N 0 0 412.489 4.143 20 5 HIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000140421107 853444017 /nfs/dbraw/zinc/44/40/17/853444017.db2.gz HHBYNWWUAYFOAZ-UHFFFAOYSA-N 0 0 408.801 4.175 20 5 HIBDRN Cc1nc(-c2ccc(C)c(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2)n[nH]1 ZINC000437247173 862467344 /nfs/dbraw/zinc/46/73/44/862467344.db2.gz ORIJZLXGVRZRQE-UHFFFAOYSA-N 0 0 405.336 4.268 20 5 HIBDRN CCO[C@H]1CCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000144053978 853528573 /nfs/dbraw/zinc/52/85/73/853528573.db2.gz FSIHBSPLAHLDNX-AWEZNQCLSA-N 0 0 407.517 4.152 20 5 HIBDRN COc1ccc(CSCC(=O)NC2(c3ccc(F)cc3)CCC2)cc1[N+](=O)[O-] ZINC000145210955 853547362 /nfs/dbraw/zinc/54/73/62/853547362.db2.gz VWVCRHGEAGZLSO-UHFFFAOYSA-N 0 0 404.463 4.171 20 5 HIBDRN O=C(Nc1ccccc1)NC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000145967420 853560880 /nfs/dbraw/zinc/56/08/80/853560880.db2.gz RNNJDLCVKDCYTH-UHFFFAOYSA-N 0 0 417.853 4.066 20 5 HIBDRN C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146556805 853571653 /nfs/dbraw/zinc/57/16/53/853571653.db2.gz QSIBLJWXLHJLFT-SNVBAGLBSA-N 0 0 411.892 4.240 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1 ZINC000146991808 853579917 /nfs/dbraw/zinc/57/99/17/853579917.db2.gz ADKCOZLMMNBVPV-HNNXBMFYSA-N 0 0 407.426 4.068 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(COCc3ccccc3)c2)c1 ZINC000147023380 853580970 /nfs/dbraw/zinc/58/09/70/853580970.db2.gz LTHQKXVMOKFCSQ-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN CCCCOc1ccc([C@H](C)NC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1OC ZINC000147158654 853583878 /nfs/dbraw/zinc/58/38/78/853583878.db2.gz QMVBPTUNDXSFPC-AWEZNQCLSA-N 0 0 402.447 4.282 20 5 HIBDRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])cc2s1 ZINC000147194793 853584185 /nfs/dbraw/zinc/58/41/85/853584185.db2.gz LROQZNNYTHHRBD-UHFFFAOYSA-N 0 0 414.443 4.204 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)c1 ZINC000147342364 853586883 /nfs/dbraw/zinc/58/68/83/853586883.db2.gz MTXDXWQNXSCMMV-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN C[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](c2ccccc2)O1 ZINC000147663539 853591387 /nfs/dbraw/zinc/59/13/87/853591387.db2.gz FDKNPUSADYPWSY-SJCJKPOMSA-N 0 0 407.373 4.190 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000147830160 853594958 /nfs/dbraw/zinc/59/49/58/853594958.db2.gz DZZGKAXGKIEPKY-OAQYLSRUSA-N 0 0 410.401 4.271 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000147838540 853596113 /nfs/dbraw/zinc/59/61/13/853596113.db2.gz PUFVOFLOOZMYAV-JOCHJYFZSA-N 0 0 406.438 4.440 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000148252218 853604040 /nfs/dbraw/zinc/60/40/40/853604040.db2.gz KEHHCLGHFZWUMW-UHFFFAOYSA-N 0 0 407.455 4.405 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000148757533 853613015 /nfs/dbraw/zinc/61/30/15/853613015.db2.gz DGQKEWWNAJYZOS-JOCHJYFZSA-N 0 0 404.426 4.142 20 5 HIBDRN O=C(Nc1ccc(I)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149087646 853618084 /nfs/dbraw/zinc/61/80/84/853618084.db2.gz CZQYRXXTRJMWJC-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000149556202 853626681 /nfs/dbraw/zinc/62/66/81/853626681.db2.gz GCKAKDQNJWPNQG-SFHVURJKSA-N 0 0 404.879 4.111 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CNc3ccccc3OC[C@@H]3CCCCO3)n2)cc1 ZINC000149627742 853627489 /nfs/dbraw/zinc/62/74/89/853627489.db2.gz CFDHGCMWGDDNJQ-KRWDZBQOSA-N 0 0 410.430 4.205 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000170358672 853666539 /nfs/dbraw/zinc/66/65/39/853666539.db2.gz DTZLEYDSXJGQAP-UHFFFAOYSA-N 0 0 423.856 4.416 20 5 HIBDRN Cc1cccc(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000195596961 853704749 /nfs/dbraw/zinc/70/47/49/853704749.db2.gz OFKWUWYALBBNLY-OAHLLOKOSA-N 0 0 411.439 4.314 20 5 HIBDRN O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1CCOc1ccccc1[N+](=O)[O-] ZINC000195597688 853705670 /nfs/dbraw/zinc/70/56/70/853705670.db2.gz HHRBLSJCKIROAS-UHFFFAOYSA-N 0 0 423.375 4.329 20 5 HIBDRN O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1CCOc1cccc([N+](=O)[O-])c1 ZINC000195597686 853705694 /nfs/dbraw/zinc/70/56/94/853705694.db2.gz QMUGYTQXQIPWPI-UHFFFAOYSA-N 0 0 423.375 4.329 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)c(C)c1 ZINC000195609897 853711641 /nfs/dbraw/zinc/71/16/41/853711641.db2.gz IIRQPWZLOQRUHJ-AWEZNQCLSA-N 0 0 424.482 4.092 20 5 HIBDRN CC(C)c1noc2ncc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)cc21 ZINC000195611975 853713797 /nfs/dbraw/zinc/71/37/97/853713797.db2.gz WCOOSJGLEWKICE-UHFFFAOYSA-N 0 0 422.363 4.459 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)CSc3ncccc3[N+](=O)[O-])n2)cc1C ZINC000195660989 853743374 /nfs/dbraw/zinc/74/33/74/853743374.db2.gz ANATZKPXSYQVGM-UHFFFAOYSA-N 0 0 400.485 4.461 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000195711646 853773865 /nfs/dbraw/zinc/77/38/65/853773865.db2.gz OHLXOQHUUXDIPL-UHFFFAOYSA-N 0 0 408.458 4.151 20 5 HIBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000206303017 853798269 /nfs/dbraw/zinc/79/82/69/853798269.db2.gz UWDPTWIKMCQALT-SSZFMOIBSA-N 0 0 416.433 4.385 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1sccc1Br ZINC000211480269 853816658 /nfs/dbraw/zinc/81/66/58/853816658.db2.gz UQWOCLROLPBODE-UHFFFAOYSA-N 0 0 406.055 4.434 20 5 HIBDRN Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C\c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000215731620 853836923 /nfs/dbraw/zinc/83/69/23/853836923.db2.gz QDFDDQJKBFSTLX-MHWRWJLKSA-N 0 0 414.874 4.422 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1C(F)(F)F ZINC000215857288 853838834 /nfs/dbraw/zinc/83/88/34/853838834.db2.gz ULFVIUKYYSZIMX-SFHVURJKSA-N 0 0 413.371 4.238 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCN(c2cccc(O)c2)CC1 ZINC000216291021 853849339 /nfs/dbraw/zinc/84/93/39/853849339.db2.gz HARQQDFLUARDGU-UHFFFAOYSA-N 0 0 401.772 4.299 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccc3s2)cn1 ZINC000216526496 853855429 /nfs/dbraw/zinc/85/54/29/853855429.db2.gz OZIPONXZVSKPHQ-UHFFFAOYSA-N 0 0 406.423 4.284 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)Nc2cccc(Nc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000216593560 853856943 /nfs/dbraw/zinc/85/69/43/853856943.db2.gz MVRCOVNHBTXYPU-UHFFFAOYSA-N 0 0 404.426 4.015 20 5 HIBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000217015536 853859456 /nfs/dbraw/zinc/85/94/56/853859456.db2.gz LPBUXHNBZAPCEC-UHFFFAOYSA-N 0 0 403.394 4.179 20 5 HIBDRN Cc1cn2c(nc(C)c2CN(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)s1 ZINC000217127167 853860583 /nfs/dbraw/zinc/86/05/83/853860583.db2.gz PYWBSEYDYOLOKD-CYBMUJFWSA-N 0 0 404.517 4.060 20 5 HIBDRN CN1C(=O)CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000217207273 853861196 /nfs/dbraw/zinc/86/11/96/853861196.db2.gz LAHVVLAEPPXIHB-SJLPKXTDSA-N 0 0 421.375 4.162 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000217380937 853862175 /nfs/dbraw/zinc/86/21/75/853862175.db2.gz CEJCHRFLFMUPPF-NSHDSACASA-N 0 0 417.809 4.399 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1Br ZINC000218774454 853864120 /nfs/dbraw/zinc/86/41/20/853864120.db2.gz NONSINHTIFPPRC-UHFFFAOYSA-N 0 0 414.053 4.050 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1I ZINC000219339299 853868742 /nfs/dbraw/zinc/86/87/42/853868742.db2.gz ZSNCYMLZGUCQNY-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN Cc1c(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000219443534 853869943 /nfs/dbraw/zinc/86/99/43/853869943.db2.gz LRFHQCFZYLYSJK-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1cc(Br)cc(Br)c1 ZINC000222857090 853877775 /nfs/dbraw/zinc/87/77/75/853877775.db2.gz NJTKTWHLGRELTB-UHFFFAOYSA-N 0 0 414.053 4.050 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1Oc1ccccc1I ZINC000236113644 853898770 /nfs/dbraw/zinc/89/87/70/853898770.db2.gz QJFLLTGIPZYLKC-UHFFFAOYSA-N 0 0 410.089 4.406 20 5 HIBDRN CCc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000236968987 853944064 /nfs/dbraw/zinc/94/40/64/853944064.db2.gz QVWVTLUMAAFOGP-HSZRJFAPSA-N 0 0 424.522 4.440 20 5 HIBDRN COc1cc(F)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC ZINC000437273480 862518341 /nfs/dbraw/zinc/51/83/41/862518341.db2.gz KYPHZWPTXQPFNZ-SECBINFHSA-N 0 0 416.327 4.261 20 5 HIBDRN COCCn1ccc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)n1 ZINC000237145906 853972547 /nfs/dbraw/zinc/97/25/47/853972547.db2.gz WDYBOJWNXFYFFB-UHFFFAOYSA-N 0 0 402.838 4.496 20 5 HIBDRN O=C1CCCN1C[C@H](NCc1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000237695255 854077810 /nfs/dbraw/zinc/07/78/10/854077810.db2.gz BGVPIRFSIUCDGN-HNNXBMFYSA-N 0 0 413.421 4.128 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNCc3ccnc(N4CCCCC4)c3)cs2)c1 ZINC000238009331 854132972 /nfs/dbraw/zinc/13/29/72/854132972.db2.gz ZLWKIJSEOVMPJW-UHFFFAOYSA-N 0 0 409.515 4.393 20 5 HIBDRN O=C1CCCN1Cc1ccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000238061925 854139840 /nfs/dbraw/zinc/13/98/40/854139840.db2.gz HXKNREQVKFGTPK-UHFFFAOYSA-N 0 0 422.510 4.131 20 5 HIBDRN CCN(Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)=O ZINC000437285982 862537931 /nfs/dbraw/zinc/53/79/31/862537931.db2.gz LKJMCCKTZBBPRT-UHFFFAOYSA-N 0 0 409.364 4.234 20 5 HIBDRN CN(CCOc1ccccc1F)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000247987713 854171754 /nfs/dbraw/zinc/17/17/54/854171754.db2.gz KTYXMQIIPZIHSU-UHFFFAOYSA-N 0 0 423.444 4.497 20 5 HIBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000248028041 854174712 /nfs/dbraw/zinc/17/47/12/854174712.db2.gz HBZQQVIMPXKAKG-UHFFFAOYSA-N 0 0 419.268 4.419 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000255938698 854223489 /nfs/dbraw/zinc/22/34/89/854223489.db2.gz RTZRRFNTRYFAPI-GJZGRUSLSA-N 0 0 410.474 4.288 20 5 HIBDRN COc1ccc(OCCSCc2nc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])c1 ZINC000437290741 862545977 /nfs/dbraw/zinc/54/59/77/862545977.db2.gz LBBRGFSPUDRTML-UHFFFAOYSA-N 0 0 405.407 4.105 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nc2ccccc2n1C(F)F ZINC000261422385 854256974 /nfs/dbraw/zinc/25/69/74/854256974.db2.gz HKWJLDOZMPTZHA-UHFFFAOYSA-N 0 0 420.397 4.430 20 5 HIBDRN Cc1ccccc1-c1nnc(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)o1 ZINC000261455623 854268952 /nfs/dbraw/zinc/26/89/52/854268952.db2.gz RBQBTIWVINRHJZ-UHFFFAOYSA-N 0 0 412.427 4.044 20 5 HIBDRN Cc1cc(N2CCC[C@@H](C(=O)Nc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301066319 854285166 /nfs/dbraw/zinc/28/51/66/854285166.db2.gz BIECLIVLQYHMCG-GOSISDBHSA-N 0 0 417.469 4.215 20 5 HIBDRN Cc1ccsc1CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000301069217 854286372 /nfs/dbraw/zinc/28/63/72/854286372.db2.gz FDXWDFOCSNVSBE-UHFFFAOYSA-N 0 0 403.485 4.378 20 5 HIBDRN Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCCc3cc(OC(F)F)ccc32)c1[N+](=O)[O-] ZINC000301071962 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HIBDRN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000301746781 854457845 /nfs/dbraw/zinc/45/78/45/854457845.db2.gz QGYIICMOICWLDX-UHFFFAOYSA-N 0 0 418.375 4.415 20 5 HIBDRN CS[C@@H]1CCCCN(c2nc(N3CCCC[C@@H](SC)C3)c([N+](=O)[O-])s2)C1 ZINC000301759303 854460246 /nfs/dbraw/zinc/46/02/46/854460246.db2.gz FJHZAPSXBLLHDE-ZIAGYGMSSA-N 0 0 416.638 4.495 20 5 HIBDRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301756463 854460328 /nfs/dbraw/zinc/46/03/28/854460328.db2.gz DPSYTRZYVGIXPY-VXGBXAGGSA-N 0 0 403.401 4.496 20 5 HIBDRN CCn1c(Sc2c(F)cc([N+](=O)[O-])cc2F)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000301789455 854465544 /nfs/dbraw/zinc/46/55/44/854465544.db2.gz NGARJODNTPXNQJ-UHFFFAOYSA-N 0 0 407.358 4.211 20 5 HIBDRN CCO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C12CCCCC2 ZINC000301800171 854467719 /nfs/dbraw/zinc/46/77/19/854467719.db2.gz VXYJMBRUXSHEFS-PMACEKPBSA-N 0 0 401.507 4.371 20 5 HIBDRN COC(=O)C1(c2ccccc2)CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301809102 854469452 /nfs/dbraw/zinc/46/94/52/854469452.db2.gz WTMUQSIGGSYDLT-UHFFFAOYSA-N 0 0 419.275 4.069 20 5 HIBDRN Cn1cc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000301814609 854469841 /nfs/dbraw/zinc/46/98/41/854469841.db2.gz ZQFCESQNROQHTE-UHFFFAOYSA-N 0 0 404.348 4.190 20 5 HIBDRN CS(=O)(=O)C[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000301842349 854474760 /nfs/dbraw/zinc/47/47/60/854474760.db2.gz QGRUKPGIZRMKPB-AWEZNQCLSA-N 0 0 422.812 4.465 20 5 HIBDRN O=[N+]([O-])c1ccc2nc(N3CCO[C@@H](c4cccc(OC(F)F)c4)C3)ccc2c1 ZINC000301845590 854474796 /nfs/dbraw/zinc/47/47/96/854474796.db2.gz SVDOOCDODVPQQZ-GOSISDBHSA-N 0 0 401.369 4.322 20 5 HIBDRN CS(=O)(=O)C[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000301842350 854474806 /nfs/dbraw/zinc/47/48/06/854474806.db2.gz QGRUKPGIZRMKPB-CQSZACIVSA-N 0 0 422.812 4.465 20 5 HIBDRN CS(=O)(=O)c1cccc(Nc2cccc(COCc3ccco3)c2)c1[N+](=O)[O-] ZINC000301854947 854476694 /nfs/dbraw/zinc/47/66/94/854476694.db2.gz BPPSGUKLQFSLMQ-UHFFFAOYSA-N 0 0 402.428 4.052 20 5 HIBDRN COc1ccc(-c2ccc(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])cc2)cc1 ZINC000301866945 854479338 /nfs/dbraw/zinc/47/93/38/854479338.db2.gz GEGSWETZMINWTC-UHFFFAOYSA-N 0 0 412.467 4.286 20 5 HIBDRN CS(=O)(=O)c1cccc(N[C@H]2CCCc3cc(OC(F)F)ccc32)c1[N+](=O)[O-] ZINC000301867722 854480567 /nfs/dbraw/zinc/48/05/67/854480567.db2.gz GLWCFSIYMJPLEX-AWEZNQCLSA-N 0 0 412.414 4.089 20 5 HIBDRN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000301872194 854481396 /nfs/dbraw/zinc/48/13/96/854481396.db2.gz QEKVYMUWUWMKNW-GOSISDBHSA-N 0 0 421.432 4.196 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000301871013 854481454 /nfs/dbraw/zinc/48/14/54/854481454.db2.gz WQGXOSPNIPWHLL-LLVKDONJSA-N 0 0 417.409 4.037 20 5 HIBDRN CC(C)(C)Oc1cc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1[N+](=O)[O-] ZINC000301875854 854482191 /nfs/dbraw/zinc/48/21/91/854482191.db2.gz KELJUPOTAKMNGF-INIZCTEOSA-N 0 0 413.522 4.474 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CCOCC2)nc1-c1ccccc1 ZINC000301890220 854486603 /nfs/dbraw/zinc/48/66/03/854486603.db2.gz UAJJQEWKNGDUQH-UHFFFAOYSA-N 0 0 404.470 4.101 20 5 HIBDRN COc1cc(F)c([N+](=O)[O-])c(Oc2cc(Br)c(C=O)cc2OC)c1 ZINC000301923213 854493958 /nfs/dbraw/zinc/49/39/58/854493958.db2.gz GWRMFRUWCCBFHN-UHFFFAOYSA-N 0 0 400.156 4.118 20 5 HIBDRN Cn1cc(C(=O)C[C@@H]2CCCN2c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000301934189 854497427 /nfs/dbraw/zinc/49/74/27/854497427.db2.gz QNKJIRQDKNSRTJ-NSHDSACASA-N 0 0 416.787 4.242 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301941660 854500156 /nfs/dbraw/zinc/50/01/56/854500156.db2.gz WEQFKDSOGJUPGN-WDEREUQCSA-N 0 0 402.925 4.342 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]2c2nc3ccccc3s2)s1 ZINC000301944379 854501367 /nfs/dbraw/zinc/50/13/67/854501367.db2.gz YUFGPMAKPSTOLV-LLVKDONJSA-N 0 0 409.514 4.011 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(NCC3(c4ccc(Cl)cc4Cl)CCOCC3)nn21 ZINC000301953439 854503090 /nfs/dbraw/zinc/50/30/90/854503090.db2.gz CVRBJUMMUDLSKA-UHFFFAOYSA-N 0 0 422.272 4.105 20 5 HIBDRN O=[N+]([O-])c1ccc2nc(N3CC[C@@H](Oc4ccc(C(F)(F)F)cn4)C3)ccc2c1 ZINC000301961715 854505596 /nfs/dbraw/zinc/50/55/96/854505596.db2.gz RYJCAHNSDDHGQH-OAHLLOKOSA-N 0 0 404.348 4.215 20 5 HIBDRN O=C(NC1CC1)c1ccc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000301983455 854509241 /nfs/dbraw/zinc/50/92/41/854509241.db2.gz IJZKJVBASSHHHF-PKOBYXMFSA-N 0 0 401.850 4.083 20 5 HIBDRN Cc1cccc(C(=O)N2CCCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)c1 ZINC000301995599 854511988 /nfs/dbraw/zinc/51/19/88/854511988.db2.gz HKEIOTIYWYSZFJ-UHFFFAOYSA-N 0 0 404.470 4.112 20 5 HIBDRN Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302004747 854514712 /nfs/dbraw/zinc/51/47/12/854514712.db2.gz KLZCQZMQTWGQQH-UHFFFAOYSA-N 0 0 408.433 4.446 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(NCc3ccccc3COc3ccccc3Cl)nn21 ZINC000302002935 854514765 /nfs/dbraw/zinc/51/47/65/854514765.db2.gz RCBAFMAGHPEQMR-UHFFFAOYSA-N 0 0 409.833 4.482 20 5 HIBDRN COc1ccc(-c2nc(C)c([C@H](C)Nc3ccc4ncc([N+](=O)[O-])n4n3)s2)cc1 ZINC000302012790 854515440 /nfs/dbraw/zinc/51/54/40/854515440.db2.gz XADYDCMQYZWTSI-NSHDSACASA-N 0 0 410.459 4.251 20 5 HIBDRN Cc1cc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302021327 854517463 /nfs/dbraw/zinc/51/74/63/854517463.db2.gz OAYRBMQLILWCAX-UHFFFAOYSA-N 0 0 424.888 4.457 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302024600 854518074 /nfs/dbraw/zinc/51/80/74/854518074.db2.gz JVDBKTRSSBRLMO-LLVKDONJSA-N 0 0 402.394 4.060 20 5 HIBDRN C[C@H]1CCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)[C@H](c2ccco2)C1 ZINC000302032443 854518961 /nfs/dbraw/zinc/51/89/61/854518961.db2.gz KOOBGBRBSJJTEV-BBRMVZONSA-N 0 0 414.849 4.365 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCCOc3c(F)cccc32)c([N+](=O)[O-])c1 ZINC000302037126 854519525 /nfs/dbraw/zinc/51/95/25/854519525.db2.gz KHPIVTNKSKSJOD-MRXNPFEDSA-N 0 0 410.405 4.024 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Oc2ccc(F)c(Br)c2)c([N+](=O)[O-])c1 ZINC000302034777 854519775 /nfs/dbraw/zinc/51/97/75/854519775.db2.gz UFVMQWCAGNLXBL-UHFFFAOYSA-N 0 0 420.194 4.253 20 5 HIBDRN O=C(NC1CC1)c1ccc(N[C@@H]2CCCOc3cc(Cl)ccc32)c([N+](=O)[O-])c1 ZINC000302048439 854521783 /nfs/dbraw/zinc/52/17/83/854521783.db2.gz ZFIYPEQYUBYRBV-MRXNPFEDSA-N 0 0 401.850 4.466 20 5 HIBDRN Cc1cc(NCc2cn(C)nc2-c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302131977 854534766 /nfs/dbraw/zinc/53/47/66/854534766.db2.gz CCDYCGLFJWFUOX-UHFFFAOYSA-N 0 0 400.442 4.373 20 5 HIBDRN O=[N+]([O-])c1cnc(N[C@H](c2ccccc2)c2ccc(Br)cc2F)nc1 ZINC000302137056 854535342 /nfs/dbraw/zinc/53/53/42/854535342.db2.gz BSMZQJKJZBIFAD-MRXNPFEDSA-N 0 0 403.211 4.488 20 5 HIBDRN O=C(c1cc(NCc2cc(Cl)cc3c2OCC3)ccc1[N+](=O)[O-])N1CCCC1 ZINC000302136492 854535729 /nfs/dbraw/zinc/53/57/29/854535729.db2.gz MRAWXCNXLPRWMO-UHFFFAOYSA-N 0 0 401.850 4.031 20 5 HIBDRN O=[N+]([O-])c1cnn(-c2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)c1 ZINC000302145625 854537368 /nfs/dbraw/zinc/53/73/68/854537368.db2.gz HQQJTRRMDMEJNF-UHFFFAOYSA-N 0 0 405.105 4.249 20 5 HIBDRN O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)cc1)c1cccnc1 ZINC000302174404 854542392 /nfs/dbraw/zinc/54/23/92/854542392.db2.gz WLMRJQSQBCEEPN-UHFFFAOYSA-N 0 0 414.368 4.456 20 5 HIBDRN COc1cc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])cc1F ZINC000302187277 854546141 /nfs/dbraw/zinc/54/61/41/854546141.db2.gz PXIIFYDUWNETBI-QGZVFWFLSA-N 0 0 400.328 4.339 20 5 HIBDRN CS(=O)(=O)c1ccc(N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC000302199681 854549182 /nfs/dbraw/zinc/54/91/82/854549182.db2.gz YUSLWVNZBUHYPP-ZDUSSCGKSA-N 0 0 414.405 4.011 20 5 HIBDRN C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000302212702 854550677 /nfs/dbraw/zinc/55/06/77/854550677.db2.gz YZVMGCTVGRSWID-SNVBAGLBSA-N 0 0 409.514 4.356 20 5 HIBDRN O=[N+]([O-])c1cnc(N[C@H](c2cccc(F)c2)c2cccc(Br)c2)nc1 ZINC000302214322 854551406 /nfs/dbraw/zinc/55/14/06/854551406.db2.gz IJESHTYQPINCGI-INIZCTEOSA-N 0 0 403.211 4.488 20 5 HIBDRN O=C1OCCN1c1cccc2c1CCN(c1c(Cl)cc([N+](=O)[O-])cc1Cl)C2 ZINC000302265965 854558158 /nfs/dbraw/zinc/55/81/58/854558158.db2.gz FWDTYHIFXGTDDJ-UHFFFAOYSA-N 0 0 408.241 4.421 20 5 HIBDRN CCc1cc(N2CC[C@@]3(C2)OCc2ccccc23)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302256899 854558305 /nfs/dbraw/zinc/55/83/05/854558305.db2.gz OOXNIZYJUNCALP-QHCPKHFHSA-N 0 0 402.454 4.250 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(O)(Cc3cccc(F)c3)CC2)c(Br)c1 ZINC000302292745 854560647 /nfs/dbraw/zinc/56/06/47/854560647.db2.gz WXMDDZDKVBTCLG-UHFFFAOYSA-N 0 0 409.255 4.070 20 5 HIBDRN Cc1cc([N+](=O)[O-])cnc1NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000302360024 854563534 /nfs/dbraw/zinc/56/35/34/854563534.db2.gz FMEDMRBORLMOHJ-UHFFFAOYSA-N 0 0 408.380 4.034 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(N[C@H](CC3CC3)c3cc(F)cc(Br)c3)nn21 ZINC000302481371 854575423 /nfs/dbraw/zinc/57/54/23/854575423.db2.gz WMBRNFKIWAVAKN-CQSZACIVSA-N 0 0 420.242 4.492 20 5 HIBDRN Cc1cc(NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302523856 854580287 /nfs/dbraw/zinc/58/02/87/854580287.db2.gz JMADJTRMTGOTOH-RDTXWAMCSA-N 0 0 410.396 4.256 20 5 HIBDRN CS(=O)(=O)c1cccc(NCC2(c3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000302525478 854580315 /nfs/dbraw/zinc/58/03/15/854580315.db2.gz ZPAMLIVLBGOHSF-UHFFFAOYSA-N 0 0 414.405 4.161 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000302569587 854587374 /nfs/dbraw/zinc/58/73/74/854587374.db2.gz YHLTYLZWMDTRMJ-BMIGLBTASA-N 0 0 412.671 4.372 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302605094 854591176 /nfs/dbraw/zinc/59/11/76/854591176.db2.gz CXOSEYLHCMETPO-UHFFFAOYSA-N 0 0 413.499 4.172 20 5 HIBDRN Cc1noc(C)c1CO[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000302630717 854594202 /nfs/dbraw/zinc/59/42/02/854594202.db2.gz BYJCLGLYQXDCGB-CYBMUJFWSA-N 0 0 410.268 4.066 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)nc1 ZINC000302690105 854605387 /nfs/dbraw/zinc/60/53/87/854605387.db2.gz UYYBADJVKKBSTL-AWEZNQCLSA-N 0 0 416.235 4.144 20 5 HIBDRN Cc1cc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302716566 854611443 /nfs/dbraw/zinc/61/14/43/854611443.db2.gz YMGOSOQXFXJVIJ-CYBMUJFWSA-N 0 0 412.328 4.043 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000302735561 854616727 /nfs/dbraw/zinc/61/67/27/854616727.db2.gz OSADIFWCTUXQDM-FQEVSTJZSA-N 0 0 421.501 4.444 20 5 HIBDRN O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000302750729 854620270 /nfs/dbraw/zinc/62/02/70/854620270.db2.gz BAWDFAYZVVITEK-UHFFFAOYSA-N 0 0 417.469 4.122 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302773782 854630571 /nfs/dbraw/zinc/63/05/71/854630571.db2.gz NVGFZLJMCZUNFB-LLVKDONJSA-N 0 0 402.394 4.060 20 5 HIBDRN O=C(CC1CCCC1)NC1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000302806377 854640397 /nfs/dbraw/zinc/64/03/97/854640397.db2.gz FYHOHXHGONCSFG-UHFFFAOYSA-N 0 0 410.312 4.023 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N1CCC(O)(c2ccccc2Cl)CC1 ZINC000302847559 854654739 /nfs/dbraw/zinc/65/47/39/854654739.db2.gz ONNIBFKDPPSSLX-UHFFFAOYSA-N 0 0 411.683 4.499 20 5 HIBDRN Cc1cc(Br)ccc1NC(=O)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302888081 854667157 /nfs/dbraw/zinc/66/71/57/854667157.db2.gz OEQXKKIJMWSTCQ-UHFFFAOYSA-N 0 0 419.279 4.074 20 5 HIBDRN Cc1ccc(Br)cc1NC(=O)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302908869 854674918 /nfs/dbraw/zinc/67/49/18/854674918.db2.gz YFRPHOVMIYNBGV-UHFFFAOYSA-N 0 0 419.279 4.074 20 5 HIBDRN CC(=O)c1cccc(OCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1 ZINC000302922063 854681175 /nfs/dbraw/zinc/68/11/75/854681175.db2.gz RQOLRHKQVGCKSN-UHFFFAOYSA-N 0 0 411.439 4.247 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)[C@H]3Oc4ccccc4O[C@@H]3C)n2)cc1[N+](=O)[O-] ZINC000302921699 854681502 /nfs/dbraw/zinc/68/15/02/854681502.db2.gz OPKMZAWOOPMMHL-XIKOKIGWSA-N 0 0 411.439 4.194 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000302973104 854703836 /nfs/dbraw/zinc/70/38/36/854703836.db2.gz GRNDSIIDIJZPIV-ZDUSSCGKSA-N 0 0 415.298 4.297 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccnn1[C@@H]1CCCc2ccccc21 ZINC000302987977 854711446 /nfs/dbraw/zinc/71/14/46/854711446.db2.gz GJOBRURFERUDHD-LJQANCHMSA-N 0 0 405.458 4.158 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000303046956 854737041 /nfs/dbraw/zinc/73/70/41/854737041.db2.gz XJBZVWFIUXJIJZ-AWEZNQCLSA-N 0 0 417.512 4.375 20 5 HIBDRN CCOc1cc(NC(=O)NCCc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1OCC ZINC000303052660 854739555 /nfs/dbraw/zinc/73/95/55/854739555.db2.gz VWISDTQCUSHBNS-UHFFFAOYSA-N 0 0 409.389 4.035 20 5 HIBDRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000303073625 854748384 /nfs/dbraw/zinc/74/83/84/854748384.db2.gz YDZZQMPFJGXPPF-JOCHJYFZSA-N 0 0 424.428 4.222 20 5 HIBDRN O=C(c1cc2ccccc2c2cccnc12)N1CCCN(Cc2cscn2)CC1 ZINC000303143730 854783348 /nfs/dbraw/zinc/78/33/48/854783348.db2.gz DWWVOPWKNUQOLY-UHFFFAOYSA-N 0 0 402.523 4.193 20 5 HIBDRN O=C(N[C@@H](c1nccs1)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303145207 854783541 /nfs/dbraw/zinc/78/35/41/854783541.db2.gz BVONMKKRFPLRTN-HXUWFJFHSA-N 0 0 422.510 4.174 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(F)c1 ZINC000303150620 854786550 /nfs/dbraw/zinc/78/65/50/854786550.db2.gz CMQXBIILEVACMJ-UHFFFAOYSA-N 0 0 415.421 4.009 20 5 HIBDRN COc1cc(OCC(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000303161665 854793562 /nfs/dbraw/zinc/79/35/62/854793562.db2.gz VFSJWNYGEOTBAZ-NSHDSACASA-N 0 0 413.257 4.036 20 5 HIBDRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000303279341 854848663 /nfs/dbraw/zinc/84/86/63/854848663.db2.gz IHBLINBZLUBITE-ZDUSSCGKSA-N 0 0 403.485 4.066 20 5 HIBDRN O=C(NCCCCNc1ccccn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000303294827 854857696 /nfs/dbraw/zinc/85/76/96/854857696.db2.gz XQLGOWUHPQXAKY-UHFFFAOYSA-N 0 0 406.442 4.404 20 5 HIBDRN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303327966 854874239 /nfs/dbraw/zinc/87/42/39/854874239.db2.gz CAUCGHRRRLACAP-UHFFFAOYSA-N 0 0 403.803 4.353 20 5 HIBDRN Cc1nc(C)c(CCNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000303380597 854901220 /nfs/dbraw/zinc/90/12/20/854901220.db2.gz MLPGDCFSMQLUAW-ZIAGYGMSSA-N 0 0 416.547 4.123 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303427065 854928078 /nfs/dbraw/zinc/92/80/78/854928078.db2.gz DUZAOWYPYHPFQH-DLBZAZTESA-N 0 0 419.403 4.066 20 5 HIBDRN Cc1ccc([C@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000437344734 862622082 /nfs/dbraw/zinc/62/20/82/862622082.db2.gz UBGGMXLKPHVDDV-HRAATJIYSA-N 0 0 404.532 4.291 20 5 HIBDRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000303444006 854942788 /nfs/dbraw/zinc/94/27/88/854942788.db2.gz IINCNYQZABFYSZ-UHFFFAOYSA-N 0 0 410.879 4.214 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000303499053 854987844 /nfs/dbraw/zinc/98/78/44/854987844.db2.gz ADBMNNXZIJPWRA-HNNXBMFYSA-N 0 0 404.426 4.095 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000303499868 854988700 /nfs/dbraw/zinc/98/87/00/854988700.db2.gz UTAVOTCNXXKGFJ-MRXNPFEDSA-N 0 0 420.872 4.482 20 5 HIBDRN C[C@@H](Sc1nccn1Cc1ccccn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000303502070 854990694 /nfs/dbraw/zinc/99/06/94/854990694.db2.gz MPBVMMALKYAQDF-CYBMUJFWSA-N 0 0 408.443 4.138 20 5 HIBDRN CCC(C)(C)C1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000303529774 855016692 /nfs/dbraw/zinc/01/66/92/855016692.db2.gz WIWHQPQEUCXBGM-GPANFISMSA-N 0 0 421.563 4.372 20 5 HIBDRN O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000303551242 855035512 /nfs/dbraw/zinc/03/55/12/855035512.db2.gz HGFJNRVHQJNLKR-UHFFFAOYSA-N 0 0 424.310 4.113 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000303582265 855055586 /nfs/dbraw/zinc/05/55/86/855055586.db2.gz MWTYWNWXGKSBBR-JOCHJYFZSA-N 0 0 414.527 4.417 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCSc1ccccc1Br ZINC000303593164 855066426 /nfs/dbraw/zinc/06/64/26/855066426.db2.gz IHUXCFUATUWYBY-UHFFFAOYSA-N 0 0 424.320 4.363 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@H]2Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000303593975 855067278 /nfs/dbraw/zinc/06/72/78/855067278.db2.gz PGYNTEGXVXZRMU-IBGZPJMESA-N 0 0 414.527 4.379 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000437356568 862638477 /nfs/dbraw/zinc/63/84/77/862638477.db2.gz OBOZIHXOQODKNO-VQTJNVASSA-N 0 0 402.881 4.480 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000303710133 855145568 /nfs/dbraw/zinc/14/55/68/855145568.db2.gz PSDYREVKIVQNGT-SSEXGKCCSA-N 0 0 424.478 4.061 20 5 HIBDRN C[C@@H](Oc1ccccc1Br)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000303803674 855208260 /nfs/dbraw/zinc/20/82/60/855208260.db2.gz MBNKOOBOQDXKAL-CQSZACIVSA-N 0 0 421.291 4.264 20 5 HIBDRN Cc1cccc2c(CCNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c[nH]c21 ZINC000303894420 855274779 /nfs/dbraw/zinc/27/47/79/855274779.db2.gz KPETZLQISQDPSH-UHFFFAOYSA-N 0 0 409.489 4.303 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000303989977 855337636 /nfs/dbraw/zinc/33/76/36/855337636.db2.gz IGJUQHLZBWRPPM-MRXNPFEDSA-N 0 0 421.453 4.377 20 5 HIBDRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000304061446 855346995 /nfs/dbraw/zinc/34/69/95/855346995.db2.gz RDHCIAWWTPYUFN-UHFFFAOYSA-N 0 0 407.264 4.207 20 5 HIBDRN COc1cccc(F)c1[C@@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000304092909 855352968 /nfs/dbraw/zinc/35/29/68/855352968.db2.gz XIBZYLXAMXUKNS-LLVKDONJSA-N 0 0 401.419 4.357 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)cc1Br ZINC000317353697 855382246 /nfs/dbraw/zinc/38/22/46/855382246.db2.gz UAMNLEGIDLPDLB-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br ZINC000323297954 855395710 /nfs/dbraw/zinc/39/57/10/855395710.db2.gz NMDUZFJCWZVBJX-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437377684 862685090 /nfs/dbraw/zinc/68/50/90/862685090.db2.gz VSISOOWJRBNKOC-UHFFFAOYSA-N 0 0 422.485 4.336 20 5 HIBDRN CCOc1ccc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1[N+](=O)[O-] ZINC000409463433 855492015 /nfs/dbraw/zinc/49/20/15/855492015.db2.gz DZBRMEYRDMLXRT-UHFFFAOYSA-N 0 0 411.389 4.250 20 5 HIBDRN Cc1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n(Cc2ccccc2)n1 ZINC000437380614 862690065 /nfs/dbraw/zinc/69/00/65/862690065.db2.gz OZEQEFQWBUFLIO-UHFFFAOYSA-N 0 0 405.458 4.345 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000409545796 855535722 /nfs/dbraw/zinc/53/57/22/855535722.db2.gz ANHQDPFBIAAVIP-REWPJTCUSA-N 0 0 423.513 4.095 20 5 HIBDRN COCCNc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 ZINC000409646167 855580434 /nfs/dbraw/zinc/58/04/34/855580434.db2.gz TXOKKVUAQDTJOW-UHFFFAOYSA-N 0 0 421.453 4.375 20 5 HIBDRN CCc1cc(SCC(=O)Nc2nc(C)cs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000409651390 855584121 /nfs/dbraw/zinc/58/41/21/855584121.db2.gz XEPDYNQSNBZYRI-UHFFFAOYSA-N 0 0 415.500 4.110 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCOC[C@H]2c2nc3ccccc3s2)cc1OC(F)F ZINC000409657535 855588067 /nfs/dbraw/zinc/58/80/67/855588067.db2.gz CGJQYZVABCICMH-AWEZNQCLSA-N 0 0 407.398 4.384 20 5 HIBDRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000409692198 855604430 /nfs/dbraw/zinc/60/44/30/855604430.db2.gz MWJJOYDBTKARBG-LBPRGKRZSA-N 0 0 406.508 4.362 20 5 HIBDRN O=C(Cc1cccc(OC(F)F)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000409789892 855654937 /nfs/dbraw/zinc/65/49/37/855654937.db2.gz NKYZOGLOSNMZCY-UHFFFAOYSA-N 0 0 418.318 4.330 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@@H]2CCCC23CCOCC3)cc1[N+](=O)[O-])c1ccccn1 ZINC000409807422 855663625 /nfs/dbraw/zinc/66/36/25/855663625.db2.gz QXRVYLAUZRHXMH-HRAATJIYSA-N 0 0 424.501 4.242 20 5 HIBDRN Cc1cc(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)ccc1Br ZINC000409842928 855682608 /nfs/dbraw/zinc/68/26/08/855682608.db2.gz LXSSUXWJTSBECD-UHFFFAOYSA-N 0 0 416.318 4.362 20 5 HIBDRN O=C(CCSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000409849551 855686333 /nfs/dbraw/zinc/68/63/33/855686333.db2.gz OQISNRMRCAEYBK-UHFFFAOYSA-N 0 0 409.471 4.174 20 5 HIBDRN O=C(CCSCc1cn(-c2ccc(Cl)cc2)nn1)Nc1ccccc1[N+](=O)[O-] ZINC000409859360 855691799 /nfs/dbraw/zinc/69/17/99/855691799.db2.gz RYNFYBWLLGIGSA-UHFFFAOYSA-N 0 0 417.878 4.091 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000409970472 855753232 /nfs/dbraw/zinc/75/32/32/855753232.db2.gz KJCXGMDIHJJRJO-LRDDRELGSA-N 0 0 410.396 4.118 20 5 HIBDRN COc1ccc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)cc1[N+](=O)[O-] ZINC000409984303 855762171 /nfs/dbraw/zinc/76/21/71/855762171.db2.gz KGOVEAFIRMWRBQ-UHFFFAOYSA-N 0 0 411.439 4.098 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437391473 862718988 /nfs/dbraw/zinc/71/89/88/862718988.db2.gz MRFCESGDZCYDHG-UHFFFAOYSA-N 0 0 410.474 4.273 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccnc(OC(F)F)c2)no1 ZINC000410167051 855847492 /nfs/dbraw/zinc/84/74/92/855847492.db2.gz MDOPLYOGPNONTK-MRVPVSSYSA-N 0 0 412.736 4.435 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000410188700 855855291 /nfs/dbraw/zinc/85/52/91/855855291.db2.gz ZHNADROWRZHYQO-UHFFFAOYSA-N 0 0 419.485 4.159 20 5 HIBDRN CSc1ccc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000410239356 855876312 /nfs/dbraw/zinc/87/63/12/855876312.db2.gz CDFJZZLYEOZWNV-NSHDSACASA-N 0 0 409.305 4.499 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(N2CCc3ccccc32)CC1 ZINC000410269964 855892850 /nfs/dbraw/zinc/89/28/50/855892850.db2.gz FZMNPVZAVJZJEK-MRXNPFEDSA-N 0 0 411.527 4.129 20 5 HIBDRN CSc1ccc(C(=O)N[C@@H]2CCOc3c(Br)cccc32)cc1[N+](=O)[O-] ZINC000410274183 855895137 /nfs/dbraw/zinc/89/51/37/855895137.db2.gz YKZRTNXOLSNYSN-CYBMUJFWSA-N 0 0 423.288 4.333 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])cc1OC ZINC000410303021 855916306 /nfs/dbraw/zinc/91/63/06/855916306.db2.gz NZTSIDIRFJJZGZ-GFCCVEGCSA-N 0 0 413.455 4.227 20 5 HIBDRN COc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000410346482 855941403 /nfs/dbraw/zinc/94/14/03/855941403.db2.gz IQFFMVBPEUPTMW-UHFFFAOYSA-N 0 0 409.236 4.244 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000410419844 855988146 /nfs/dbraw/zinc/98/81/46/855988146.db2.gz NTUVTHOVXKPFHC-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000425945259 856013390 /nfs/dbraw/zinc/01/33/90/856013390.db2.gz KAXLCVBRGUINHY-FGTMMUONSA-N 0 0 405.376 4.141 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc2[nH]ccc21 ZINC000425983528 856030709 /nfs/dbraw/zinc/03/07/09/856030709.db2.gz VGGHLKFOMGNCAM-UHFFFAOYSA-N 0 0 407.304 4.134 20 5 HIBDRN CC(C)CC(=O)Nc1cccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000425987946 856033225 /nfs/dbraw/zinc/03/32/25/856033225.db2.gz DBMYIIADJRWNEN-UHFFFAOYSA-N 0 0 424.501 4.454 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000425991477 856034409 /nfs/dbraw/zinc/03/44/09/856034409.db2.gz VWGVZUSNYDJDAV-MRXNPFEDSA-N 0 0 422.485 4.157 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CNCc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000425993523 856035622 /nfs/dbraw/zinc/03/56/22/856035622.db2.gz BXFNRUNEQHZRMZ-UHFFFAOYSA-N 0 0 416.363 4.170 20 5 HIBDRN C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000426004827 856041693 /nfs/dbraw/zinc/04/16/93/856041693.db2.gz APVRVZBAWDHXBM-IWMITWMQSA-N 0 0 405.458 4.080 20 5 HIBDRN CC[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000426004456 856041713 /nfs/dbraw/zinc/04/17/13/856041713.db2.gz PACDXDJBCQGWQJ-LJQANCHMSA-N 0 0 411.458 4.191 20 5 HIBDRN CCS[C@@H]1CCC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426041735 856066831 /nfs/dbraw/zinc/06/68/31/856066831.db2.gz HEEUSISIZLJXSR-UKRRQHHQSA-N 0 0 405.442 4.477 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CCC2(CCOCC2)CC1 ZINC000426044253 856067981 /nfs/dbraw/zinc/06/79/81/856067981.db2.gz RQKMNDDZBQJUDR-UHFFFAOYSA-N 0 0 415.412 4.152 20 5 HIBDRN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426058396 856078996 /nfs/dbraw/zinc/07/89/96/856078996.db2.gz DVLRRBPMYWAPMT-MJGOQNOKSA-N 0 0 423.391 4.152 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000426075400 856089538 /nfs/dbraw/zinc/08/95/38/856089538.db2.gz XPUYVNIZNXOKMQ-MAUKXSAKSA-N 0 0 423.391 4.191 20 5 HIBDRN C[C@H](c1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1)N1CCOCC1 ZINC000426111217 856114888 /nfs/dbraw/zinc/11/48/88/856114888.db2.gz OETFKUMNFUYVCY-QGZVFWFLSA-N 0 0 424.501 4.185 20 5 HIBDRN CN(C)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1Cl ZINC000426235246 856192487 /nfs/dbraw/zinc/19/24/87/856192487.db2.gz CKKBOZLRZAHICA-HXUWFJFHSA-N 0 0 416.909 4.225 20 5 HIBDRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426265983 856209979 /nfs/dbraw/zinc/20/99/79/856209979.db2.gz XADBJCOOIVLPBT-UHFFFAOYSA-N 0 0 421.297 4.373 20 5 HIBDRN Cc1cnc(C(C)(C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000426272162 856213480 /nfs/dbraw/zinc/21/34/80/856213480.db2.gz VITDUIWGZCNTND-UHFFFAOYSA-N 0 0 402.398 4.113 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCc2ccc(F)c(F)c2C1 ZINC000426271778 856213732 /nfs/dbraw/zinc/21/37/32/856213732.db2.gz QVZNITGZLCFHPD-UHFFFAOYSA-N 0 0 415.318 4.160 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCCc2c(O)cccc21 ZINC000426277538 856216407 /nfs/dbraw/zinc/21/64/07/856216407.db2.gz MGMGQTXVSRFKJC-MRXNPFEDSA-N 0 0 409.364 4.196 20 5 HIBDRN Cc1ccc(C2CCN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)cn1 ZINC000426277598 856216759 /nfs/dbraw/zinc/21/67/59/856216759.db2.gz STDUOCYRRJMCFB-UHFFFAOYSA-N 0 0 422.407 4.406 20 5 HIBDRN CCC[C@@]1(COC)CCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426282443 856219815 /nfs/dbraw/zinc/21/98/15/856219815.db2.gz SJCQXWJMEWSVTL-KRWDZBQOSA-N 0 0 403.401 4.104 20 5 HIBDRN O=C(NCc1sccc1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426285592 856221633 /nfs/dbraw/zinc/22/16/33/856221633.db2.gz BVHYXQSTPDWQBU-UHFFFAOYSA-N 0 0 410.293 4.293 20 5 HIBDRN CC(C)COC[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000426297170 856228675 /nfs/dbraw/zinc/22/86/75/856228675.db2.gz XMSLQQGVPNOXHN-IBGZPJMESA-N 0 0 401.463 4.276 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(C2CC2)c2ccccc21 ZINC000426359646 856259256 /nfs/dbraw/zinc/25/92/56/856259256.db2.gz YENGOPHYCPONAA-UHFFFAOYSA-N 0 0 406.467 4.348 20 5 HIBDRN COC(=O)c1nc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)sc1C(C)C ZINC000426376657 856263951 /nfs/dbraw/zinc/26/39/51/856263951.db2.gz FJNSRJVQUFMFFH-UHFFFAOYSA-N 0 0 421.478 4.300 20 5 HIBDRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000426484709 856315661 /nfs/dbraw/zinc/31/56/61/856315661.db2.gz HHMURBIJOLNHPS-YYIAUSFCSA-N 0 0 401.507 4.401 20 5 HIBDRN COC[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000426576133 856356777 /nfs/dbraw/zinc/35/67/77/856356777.db2.gz AMOXIADOCFSIGQ-LJQANCHMSA-N 0 0 403.866 4.310 20 5 HIBDRN CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000426680035 856409288 /nfs/dbraw/zinc/40/92/88/856409288.db2.gz ZDZDIHOTWULPCQ-UHFFFAOYSA-N 0 0 405.454 4.280 20 5 HIBDRN CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000426709200 856426401 /nfs/dbraw/zinc/42/64/01/856426401.db2.gz BKFVYDCPOVPFEO-ONIAQPFYSA-N 0 0 401.507 4.116 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000426727142 856437292 /nfs/dbraw/zinc/43/72/92/856437292.db2.gz MYWIRNVUGIMEAJ-KRWDZBQOSA-N 0 0 408.241 4.168 20 5 HIBDRN Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)ccc1-c1ccccc1 ZINC000426729593 856438210 /nfs/dbraw/zinc/43/82/10/856438210.db2.gz FDFFUXUBKBVYNU-UHFFFAOYSA-N 0 0 409.467 4.302 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+][C@@H](CCc3ccccc3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426776479 856472007 /nfs/dbraw/zinc/47/20/07/856472007.db2.gz YQOPXQWDZXGJSQ-IBGZPJMESA-N 0 0 410.426 4.039 20 5 HIBDRN Cc1cc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)n[nH]1 ZINC000426776277 856472085 /nfs/dbraw/zinc/47/20/85/856472085.db2.gz FUSQUWKVVDHVIU-UHFFFAOYSA-N 0 0 417.219 4.433 20 5 HIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000426808311 856490315 /nfs/dbraw/zinc/49/03/15/856490315.db2.gz LLOBVHXODPPJKA-KRWDZBQOSA-N 0 0 400.431 4.248 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426814922 856494341 /nfs/dbraw/zinc/49/43/41/856494341.db2.gz IWKUXTGRDQJMKF-HXUWFJFHSA-N 0 0 423.400 4.261 20 5 HIBDRN O=C([O-])[C@H](Cc1ccco1)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000426816836 856494843 /nfs/dbraw/zinc/49/48/43/856494843.db2.gz QWPPCKHOLUVTLE-KRWDZBQOSA-N 0 0 416.817 4.419 20 5 HIBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1OCC(=O)N(C)C ZINC000426887885 856527937 /nfs/dbraw/zinc/52/79/37/856527937.db2.gz AOABLUGEVFGGTK-GOSISDBHSA-N 0 0 408.458 4.173 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000426892520 856529306 /nfs/dbraw/zinc/52/93/06/856529306.db2.gz YFJYWFWIXUEFDM-GOSISDBHSA-N 0 0 402.450 4.096 20 5 HIBDRN CCCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000426949821 856558042 /nfs/dbraw/zinc/55/80/42/856558042.db2.gz YKVAFAFZRIDQIL-GFCCVEGCSA-N 0 0 414.293 4.281 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000426965552 856567154 /nfs/dbraw/zinc/56/71/54/856567154.db2.gz VAJCZSQMFBBUCR-OAQYLSRUSA-N 0 0 407.426 4.290 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccco1 ZINC000426969614 856569530 /nfs/dbraw/zinc/56/95/30/856569530.db2.gz WQZZNDKDLTWKPE-JOCHJYFZSA-N 0 0 405.410 4.057 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437453167 862818192 /nfs/dbraw/zinc/81/81/92/862818192.db2.gz MTIBCZBRHXMHHN-IERDGZPVSA-N 0 0 413.474 4.350 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 ZINC000427105163 856639641 /nfs/dbraw/zinc/63/96/41/856639641.db2.gz VWFNELIQBHWZIR-UHFFFAOYSA-N 0 0 402.410 4.479 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)n1 ZINC000427119866 856650615 /nfs/dbraw/zinc/65/06/15/856650615.db2.gz NLPLRFBFSLPMRS-UHFFFAOYSA-N 0 0 411.384 4.073 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000437456422 862820253 /nfs/dbraw/zinc/82/02/53/862820253.db2.gz UTBZICQFINWFRK-UHFFFAOYSA-N 0 0 405.838 4.229 20 5 HIBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427135099 856661527 /nfs/dbraw/zinc/66/15/27/856661527.db2.gz ABDFZZKLHZIVSK-ROUUACIJSA-N 0 0 421.497 4.154 20 5 HIBDRN Cc1ccccc1CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000437461529 862824348 /nfs/dbraw/zinc/82/43/48/862824348.db2.gz VPBIHRBZXBVOEO-UHFFFAOYSA-N 0 0 417.465 4.379 20 5 HIBDRN CN(Cc1ccc(Br)c(F)c1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000427181807 856696129 /nfs/dbraw/zinc/69/61/29/856696129.db2.gz JIKPNYCFZLJAKC-UHFFFAOYSA-N 0 0 406.211 4.250 20 5 HIBDRN O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437470745 862833195 /nfs/dbraw/zinc/83/31/95/862833195.db2.gz URLGQKFKEXMXIX-UHFFFAOYSA-N 0 0 420.444 4.213 20 5 HIBDRN CCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2OC)cnn1-c1cccc(Cl)c1 ZINC000427342893 856781758 /nfs/dbraw/zinc/78/17/58/856781758.db2.gz SPQKPZFEEAQQMV-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN CCc1ccc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc1[N+](=O)[O-] ZINC000427410829 856809435 /nfs/dbraw/zinc/80/94/35/856809435.db2.gz CJGYYBIKQCLJGJ-FQEVSTJZSA-N 0 0 410.861 4.462 20 5 HIBDRN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427441534 856821499 /nfs/dbraw/zinc/82/14/99/856821499.db2.gz LSCHXBHKDIEBQX-GOSISDBHSA-N 0 0 400.797 4.039 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000427459199 856830074 /nfs/dbraw/zinc/83/00/74/856830074.db2.gz QJLDCTBYELHBEH-KRWDZBQOSA-N 0 0 408.414 4.021 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000427472858 856835943 /nfs/dbraw/zinc/83/59/43/856835943.db2.gz IDMUXZGEMWUULZ-UHFFFAOYSA-N 0 0 409.417 4.023 20 5 HIBDRN COc1cnccc1[C@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427489314 856839431 /nfs/dbraw/zinc/83/94/31/856839431.db2.gz AQICBTJLKBPFCV-HNNXBMFYSA-N 0 0 407.426 4.068 20 5 HIBDRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)o1 ZINC000437483833 862842026 /nfs/dbraw/zinc/84/20/26/862842026.db2.gz SOBAMLPQECBSLL-KBXCAEBGSA-N 0 0 402.447 4.137 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC([C@H]2CCCO2)CC1 ZINC000427498579 856841973 /nfs/dbraw/zinc/84/19/73/856841973.db2.gz FKQWISKZDLWUPA-JOCHJYFZSA-N 0 0 410.470 4.205 20 5 HIBDRN CN(Cc1ccc(Br)c(F)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000427537825 856854908 /nfs/dbraw/zinc/85/49/08/856854908.db2.gz UEZHTDOPGBKFTB-UHFFFAOYSA-N 0 0 415.646 4.351 20 5 HIBDRN CC(C)(C)CNC(=O)c1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000427595756 856882236 /nfs/dbraw/zinc/88/22/36/856882236.db2.gz XEVYVWYVTCADIR-UHFFFAOYSA-N 0 0 409.486 4.176 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427597699 856882900 /nfs/dbraw/zinc/88/29/00/856882900.db2.gz XKTJNEQJMDLXGA-UHFFFAOYSA-N 0 0 422.460 4.270 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)c(Cl)c2)n1 ZINC000427600501 856884350 /nfs/dbraw/zinc/88/43/50/856884350.db2.gz GUILPYBJRFBQPE-UHFFFAOYSA-N 0 0 423.260 4.173 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)n1 ZINC000427605162 856885108 /nfs/dbraw/zinc/88/51/08/856885108.db2.gz WVMLKHKOKSIYLF-UHFFFAOYSA-N 0 0 410.821 4.260 20 5 HIBDRN Cc1ccc(C)n1-c1nc(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000437490601 862848736 /nfs/dbraw/zinc/84/87/36/862848736.db2.gz NOSMXUICNXYCIN-UHFFFAOYSA-N 0 0 410.499 4.193 20 5 HIBDRN Cc1ccc(OC(F)F)c(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)c1 ZINC000427688586 856909590 /nfs/dbraw/zinc/90/95/90/856909590.db2.gz ZZCLBHPDWKWLDK-UHFFFAOYSA-N 0 0 403.428 4.200 20 5 HIBDRN C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000427717894 856921114 /nfs/dbraw/zinc/92/11/14/856921114.db2.gz DVSMGKSTPQHXRP-CVEARBPZSA-N 0 0 420.469 4.230 20 5 HIBDRN C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000427717895 856921556 /nfs/dbraw/zinc/92/15/56/856921556.db2.gz DVSMGKSTPQHXRP-HOTGVXAUSA-N 0 0 420.469 4.230 20 5 HIBDRN C[C@H](CCCC(F)(F)F)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000427731963 856927389 /nfs/dbraw/zinc/92/73/89/856927389.db2.gz SIOPIXYLLRQHCL-SECBINFHSA-N 0 0 402.291 4.387 20 5 HIBDRN COCCN(Cc1cc(Br)cs1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000427734221 856928670 /nfs/dbraw/zinc/92/86/70/856928670.db2.gz KZDMOWYIWWJEBF-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(Br)cn2)cc1SC ZINC000427860054 856985140 /nfs/dbraw/zinc/98/51/40/856985140.db2.gz YAEVZAXOYDKTLJ-UHFFFAOYSA-N 0 0 412.265 4.044 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC(Cc2cccc(F)c2)CC1 ZINC000427919846 857007396 /nfs/dbraw/zinc/00/73/96/857007396.db2.gz ZZPRMXPJQGKGAJ-UHFFFAOYSA-N 0 0 423.444 4.142 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1nc(-c2cccs2)cs1 ZINC000427919008 857007988 /nfs/dbraw/zinc/00/79/88/857007988.db2.gz UMFMRURCKNBUKX-UHFFFAOYSA-N 0 0 412.452 4.346 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(CC1CCC1)CC(F)(F)F ZINC000427927069 857010658 /nfs/dbraw/zinc/01/06/58/857010658.db2.gz YSQZFKRRMFGMGO-UHFFFAOYSA-N 0 0 414.302 4.341 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Oc3ccc(CO)cc3)cc2)c([N+](=O)[O-])cc1OC ZINC000428008028 857039654 /nfs/dbraw/zinc/03/96/54/857039654.db2.gz YOZNTBBOONNUHN-UHFFFAOYSA-N 0 0 424.409 4.149 20 5 HIBDRN CC(C)(C)OCc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000428018400 857043488 /nfs/dbraw/zinc/04/34/88/857043488.db2.gz UOTDMUMSWJDVEE-UHFFFAOYSA-N 0 0 423.469 4.153 20 5 HIBDRN O=C(Nc1ccc(Oc2ccccc2F)nc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000428042719 857052537 /nfs/dbraw/zinc/05/25/37/857052537.db2.gz VQIPLTBAAXYYAE-UHFFFAOYSA-N 0 0 420.356 4.427 20 5 HIBDRN CCCCNC(=O)C1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000428082135 857066134 /nfs/dbraw/zinc/06/61/34/857066134.db2.gz XOLDPWFWVOYWGJ-UHFFFAOYSA-N 0 0 416.547 4.427 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[C@](O)(C2CC2)C1 ZINC000428185598 857103652 /nfs/dbraw/zinc/10/36/52/857103652.db2.gz RTPKQQFYCHIBBJ-HXUWFJFHSA-N 0 0 402.834 4.028 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCO[C@@H]2c2ccccc2)nc1OCc1ccccc1 ZINC000428219585 857115934 /nfs/dbraw/zinc/11/59/34/857115934.db2.gz FDZKQFXZGLRRCY-DENIHFKCSA-N 0 0 405.454 4.759 20 5 HIBDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000428248890 857126332 /nfs/dbraw/zinc/12/63/32/857126332.db2.gz MJYSBOUOQDOJEN-UHFFFAOYSA-N 0 0 401.835 4.444 20 5 HIBDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000428259168 857129419 /nfs/dbraw/zinc/12/94/19/857129419.db2.gz ZADHTPDXPMJEHK-UHFFFAOYSA-N 0 0 401.835 4.444 20 5 HIBDRN COc1ccc(CNC(=O)c2cnn(CC(C)C)c2-c2ccccc2)cc1[N+](=O)[O-] ZINC000428271353 857135004 /nfs/dbraw/zinc/13/50/04/857135004.db2.gz ZCXSLHXQXAUNDA-UHFFFAOYSA-N 0 0 408.458 4.053 20 5 HIBDRN CCc1cc(C)c(C(=O)N(CCOC)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)o1 ZINC000428348696 857166268 /nfs/dbraw/zinc/16/62/68/857166268.db2.gz PTAPKUPKCWFFGW-UHFFFAOYSA-N 0 0 415.471 4.475 20 5 HIBDRN CCOc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)cc1Br ZINC000428435033 857202592 /nfs/dbraw/zinc/20/25/92/857202592.db2.gz MYBGXGFJBZDACP-UHFFFAOYSA-N 0 0 404.220 4.490 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000428481251 857218865 /nfs/dbraw/zinc/21/88/65/857218865.db2.gz JPCFDORREFHJGT-CTYIDZIISA-N 0 0 419.275 4.432 20 5 HIBDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000428508427 857232104 /nfs/dbraw/zinc/23/21/04/857232104.db2.gz UKXHDKNJJOPDSD-MRXNPFEDSA-N 0 0 414.405 4.131 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCc2cccc(F)c2C1 ZINC000437568317 862890055 /nfs/dbraw/zinc/89/00/55/862890055.db2.gz NTTTZIMUEGHNTD-UHFFFAOYSA-N 0 0 408.379 4.297 20 5 HIBDRN Cn1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccccc2c1=O ZINC000428636688 857284673 /nfs/dbraw/zinc/28/46/73/857284673.db2.gz ALQPKZKLLXUTTP-UHFFFAOYSA-N 0 0 413.433 4.294 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000428647816 857287865 /nfs/dbraw/zinc/28/78/65/857287865.db2.gz IMJNBYPAGCPCOY-MRXNPFEDSA-N 0 0 411.364 4.189 20 5 HIBDRN COC[C@H](C)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000437587215 862900423 /nfs/dbraw/zinc/90/04/23/862900423.db2.gz FLLAMDUOBSLYMC-NSHDSACASA-N 0 0 408.252 4.056 20 5 HIBDRN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000428874913 857382527 /nfs/dbraw/zinc/38/25/27/857382527.db2.gz BRQAXQNIQYXCJO-UHFFFAOYSA-N 0 0 413.846 4.424 20 5 HIBDRN COC[C@@H](C)Nc1ccccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000437590833 862905191 /nfs/dbraw/zinc/90/51/91/862905191.db2.gz HZSHMHXJYVHTSY-LLVKDONJSA-N 0 0 422.279 4.365 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)cc1[N+](=O)[O-] ZINC000428885628 857389875 /nfs/dbraw/zinc/38/98/75/857389875.db2.gz KAQBOGFMDYBJME-HNNXBMFYSA-N 0 0 419.503 4.109 20 5 HIBDRN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428932141 857424014 /nfs/dbraw/zinc/42/40/14/857424014.db2.gz IWEWMXZJVKZKRN-SGTLLEGYSA-N 0 0 420.391 4.452 20 5 HIBDRN COc1ccc(CNC(=O)NCc2ccc(C)cc2OC(C)(C)C)cc1[N+](=O)[O-] ZINC000428989170 857445660 /nfs/dbraw/zinc/44/56/60/857445660.db2.gz CZHKZTIVOVNPGO-UHFFFAOYSA-N 0 0 401.463 4.089 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)cc1[N+](=O)[O-] ZINC000429071685 857492970 /nfs/dbraw/zinc/49/29/70/857492970.db2.gz QVLPZJINLQXSAR-INIZCTEOSA-N 0 0 410.474 4.330 20 5 HIBDRN CC[C@H](NC(=O)Nc1cccc([C@H](C)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000429070761 857493176 /nfs/dbraw/zinc/49/31/76/857493176.db2.gz DRHGNDRCSXRMAE-KKSFZXQISA-N 0 0 412.490 4.261 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000429077544 857498157 /nfs/dbraw/zinc/49/81/57/857498157.db2.gz VGMYFHNRLPFGLQ-IRXDYDNUSA-N 0 0 412.490 4.179 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1[N+](=O)[O-] ZINC000429083799 857501341 /nfs/dbraw/zinc/50/13/41/857501341.db2.gz UGJZSYBCMNGYEP-MRXNPFEDSA-N 0 0 410.474 4.298 20 5 HIBDRN CN(C(=O)C(=O)c1ccc(Cl)s1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000429088028 857503403 /nfs/dbraw/zinc/50/34/03/857503403.db2.gz OSTLFMMQKPTNDQ-UHFFFAOYSA-N 0 0 407.860 4.279 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CC[C@@H](Sc3cccc(Cl)c3)C2)c2c(c1)COCO2 ZINC000429144086 857530272 /nfs/dbraw/zinc/53/02/72/857530272.db2.gz TXGSYBJSTQFICG-GOSISDBHSA-N 0 0 406.891 4.481 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429261294 857580792 /nfs/dbraw/zinc/58/07/92/857580792.db2.gz FFKTZXPQCIIINK-LSDHHAIUSA-N 0 0 411.437 4.056 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)CNC(C)(C)c3ccccc3[N+](=O)[O-])c2)cs1 ZINC000429278034 857587707 /nfs/dbraw/zinc/58/77/07/857587707.db2.gz ZYKYWXVMXUQXGM-UHFFFAOYSA-N 0 0 410.499 4.490 20 5 HIBDRN CS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)cc1Cl ZINC000429326829 857603450 /nfs/dbraw/zinc/60/34/50/857603450.db2.gz FJIMHFPXRJNPFR-UHFFFAOYSA-N 0 0 424.909 4.375 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc3c(cc2Cl)CCC3=O)c([N+](=O)[O-])cc1OC ZINC000429492330 857694950 /nfs/dbraw/zinc/69/49/50/857694950.db2.gz OLRHFGPYIYLOLR-UHFFFAOYSA-N 0 0 404.806 4.037 20 5 HIBDRN COC(=O)c1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc1C1CC1 ZINC000429494566 857695924 /nfs/dbraw/zinc/69/59/24/857695924.db2.gz SVHOIBVNQXHENZ-UHFFFAOYSA-N 0 0 403.441 4.182 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000429613076 857794333 /nfs/dbraw/zinc/79/43/33/857794333.db2.gz RTMLUCTUNGVTRP-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000429669633 857827755 /nfs/dbraw/zinc/82/77/55/857827755.db2.gz GVTGMCXZTQVESC-GFCCVEGCSA-N 0 0 423.391 4.251 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000429706723 857843752 /nfs/dbraw/zinc/84/37/52/857843752.db2.gz WXLSOQBPFIEZAP-UHFFFAOYSA-N 0 0 417.828 4.296 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000429839737 857905520 /nfs/dbraw/zinc/90/55/20/857905520.db2.gz MMWCMJGFMDHBAY-JTQLQIEISA-N 0 0 421.247 4.332 20 5 HIBDRN CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)c1ccc2c(c1)OCO2 ZINC000429850990 857911641 /nfs/dbraw/zinc/91/16/41/857911641.db2.gz OLHSPAGZFXSQEC-UHFFFAOYSA-N 0 0 421.247 4.093 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000429889632 857929479 /nfs/dbraw/zinc/92/94/79/857929479.db2.gz NRZYWWSPVCZTIY-UHFFFAOYSA-N 0 0 413.543 4.102 20 5 HIBDRN CC(C)(C(=O)NCCCC(=O)Nc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000429895216 857932218 /nfs/dbraw/zinc/93/22/18/857932218.db2.gz JIRMKCWCRVVGBY-UHFFFAOYSA-N 0 0 403.866 4.061 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n(-c2ccccc2C)n1 ZINC000429918969 857947313 /nfs/dbraw/zinc/94/73/13/857947313.db2.gz FVELERBANKJSRD-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CC(C)(C(=O)NCc1ccc(COCC(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000429930538 857954832 /nfs/dbraw/zinc/95/48/32/857954832.db2.gz RRYZPBGNQDISTH-UHFFFAOYSA-N 0 0 410.392 4.268 20 5 HIBDRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000429932343 857956235 /nfs/dbraw/zinc/95/62/35/857956235.db2.gz XEQUSQFEAGGSMK-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429970850 857975200 /nfs/dbraw/zinc/97/52/00/857975200.db2.gz YOZRTHPBBDDVOR-UHFFFAOYSA-N 0 0 415.203 4.192 20 5 HIBDRN COc1ccc(CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000429971118 857975496 /nfs/dbraw/zinc/97/54/96/857975496.db2.gz ZAMHMKUYHFAXAN-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000429971286 857977098 /nfs/dbraw/zinc/97/70/98/857977098.db2.gz KKCJCIDDVUYNEV-UHFFFAOYSA-N 0 0 420.263 4.092 20 5 HIBDRN COc1ccc(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)c([N+](=O)[O-])c1 ZINC000430093508 858028518 /nfs/dbraw/zinc/02/85/18/858028518.db2.gz FUVIXSHJMKJENK-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)Oc1ccc(Cl)cc1 ZINC000430099196 858031987 /nfs/dbraw/zinc/03/19/87/858031987.db2.gz DTKQNUQROJBDQV-JTQLQIEISA-N 0 0 402.756 4.464 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000430134550 858047537 /nfs/dbraw/zinc/04/75/37/858047537.db2.gz PASPATOLGROCKH-WIYYLYMNSA-N 0 0 418.490 4.132 20 5 HIBDRN COc1cc(CNc2ccc(-n3nccc3C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000430198005 858077944 /nfs/dbraw/zinc/07/79/44/858077944.db2.gz PXXIWWNURBEHSS-UHFFFAOYSA-N 0 0 422.363 4.429 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430203273 858080205 /nfs/dbraw/zinc/08/02/05/858080205.db2.gz OFFUHPJOWSCOTC-UHFFFAOYSA-N 0 0 411.380 4.083 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CN1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000430213457 858084602 /nfs/dbraw/zinc/08/46/02/858084602.db2.gz SSCURAAXTFCFDQ-HXUWFJFHSA-N 0 0 415.877 4.205 20 5 HIBDRN COc1ccc(CN(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000430264879 858101951 /nfs/dbraw/zinc/10/19/51/858101951.db2.gz BVOTYDASFQWIME-UHFFFAOYSA-N 0 0 400.866 4.193 20 5 HIBDRN COc1cc(CN(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000430277233 858105824 /nfs/dbraw/zinc/10/58/24/858105824.db2.gz MFKIROTUADLRCP-UHFFFAOYSA-N 0 0 418.856 4.332 20 5 HIBDRN COc1cc(C(=O)N(c2ccccn2)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000430286707 858108967 /nfs/dbraw/zinc/10/89/67/858108967.db2.gz YWVDKMWIROZNLC-UHFFFAOYSA-N 0 0 407.373 4.189 20 5 HIBDRN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)Nc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000430360218 858132872 /nfs/dbraw/zinc/13/28/72/858132872.db2.gz PCGXPOHKHVMRKE-UHFFFAOYSA-N 0 0 417.828 4.355 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@]1=O ZINC000430365563 858135739 /nfs/dbraw/zinc/13/57/39/858135739.db2.gz MHZMUSDCXDLHFH-DBDZUICISA-N 0 0 422.890 4.024 20 5 HIBDRN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430403198 858146735 /nfs/dbraw/zinc/14/67/35/858146735.db2.gz UNGMRPMOBIBHKQ-NRFANRHFSA-N 0 0 420.469 4.351 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCCSc3ccc(Cl)cc32)cc([N+](=O)[O-])c1 ZINC000430474135 858186056 /nfs/dbraw/zinc/18/60/56/858186056.db2.gz DJXJWKBDRLFSLZ-UHFFFAOYSA-N 0 0 406.847 4.177 20 5 HIBDRN COc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1Br ZINC000430539726 858211543 /nfs/dbraw/zinc/21/15/43/858211543.db2.gz FKVQJSPKJDLUEM-UHFFFAOYSA-N 0 0 423.263 4.040 20 5 HIBDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000430551721 858216046 /nfs/dbraw/zinc/21/60/46/858216046.db2.gz MRTDOZWQTUMELV-ZDUSSCGKSA-N 0 0 401.488 4.085 20 5 HIBDRN Cc1cnc(C(C)(C)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)s1 ZINC000430552230 858216083 /nfs/dbraw/zinc/21/60/83/858216083.db2.gz JMMSOSFJMRKVIO-UHFFFAOYSA-N 0 0 402.520 4.261 20 5 HIBDRN C[C@H](Oc1cccc(Br)c1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000430562208 858219067 /nfs/dbraw/zinc/21/90/67/858219067.db2.gz CWKIXYPICIKLOK-LBPRGKRZSA-N 0 0 407.264 4.176 20 5 HIBDRN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1noc(Cc2ccccc2)n1 ZINC000430568021 858221631 /nfs/dbraw/zinc/22/16/31/858221631.db2.gz GQXMMTZFGQKZSP-GFCCVEGCSA-N 0 0 408.439 4.274 20 5 HIBDRN O=C(NCc1ccccc1OCC1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430594604 858230956 /nfs/dbraw/zinc/23/09/56/858230956.db2.gz RVARDNIPABDAIW-UHFFFAOYSA-N 0 0 405.248 4.076 20 5 HIBDRN COc1ccccc1C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000430617275 858238174 /nfs/dbraw/zinc/23/81/74/858238174.db2.gz LHQFIGXEMBORCA-MRXNPFEDSA-N 0 0 421.291 4.363 20 5 HIBDRN O=C(NC[C@H]1SCCc2ccccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430625067 858240010 /nfs/dbraw/zinc/24/00/10/858240010.db2.gz IYPIZRIDZMJNPG-MRXNPFEDSA-N 0 0 407.289 4.118 20 5 HIBDRN COc1ccc(N(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC000430675440 858264351 /nfs/dbraw/zinc/26/43/51/858264351.db2.gz MPZGABFJXBBMHL-UHFFFAOYSA-N 0 0 414.389 4.256 20 5 HIBDRN C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000430823198 858317464 /nfs/dbraw/zinc/31/74/64/858317464.db2.gz MTDASMALWGDIJC-OAHLLOKOSA-N 0 0 421.478 4.486 20 5 HIBDRN Cc1cc(OCC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)ccc1[N+](=O)[O-] ZINC000430826406 858318723 /nfs/dbraw/zinc/31/87/23/858318723.db2.gz HDNRPCDKWQCINT-UHFFFAOYSA-N 0 0 423.450 4.468 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1 ZINC000430833427 858323217 /nfs/dbraw/zinc/32/32/17/858323217.db2.gz PBIGRICMALQSIZ-UHFFFAOYSA-N 0 0 413.846 4.360 20 5 HIBDRN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000430833104 858323271 /nfs/dbraw/zinc/32/32/71/858323271.db2.gz MGHYHHRUIMDXCR-AWEZNQCLSA-N 0 0 402.422 4.087 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000430878909 858351807 /nfs/dbraw/zinc/35/18/07/858351807.db2.gz QEKFRWDZOIHWQL-UHFFFAOYSA-N 0 0 424.284 4.276 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1cccnc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430911821 858366844 /nfs/dbraw/zinc/36/68/44/858366844.db2.gz DFYGUHYECHOSNL-SFHVURJKSA-N 0 0 412.243 4.272 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N(Cc1cccs1)Cc1cccs1 ZINC000431067366 858431222 /nfs/dbraw/zinc/43/12/22/858431222.db2.gz DJSJEVIJOWLWBI-UHFFFAOYSA-N 0 0 422.553 4.293 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000431074530 858435269 /nfs/dbraw/zinc/43/52/69/858435269.db2.gz VKJAZDXLMVLIOR-FQEVSTJZSA-N 0 0 418.515 4.093 20 5 HIBDRN Cc1ccc(NC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000431094154 858444276 /nfs/dbraw/zinc/44/42/76/858444276.db2.gz QFIOUWLUKVMZOM-LLVKDONJSA-N 0 0 401.810 4.489 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000431155262 858474791 /nfs/dbraw/zinc/47/47/91/858474791.db2.gz DKTBGWFCNFTCIY-PKOBYXMFSA-N 0 0 406.438 4.441 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000431161577 858479554 /nfs/dbraw/zinc/47/95/54/858479554.db2.gz OFAQIVIVWIZDHL-KRWDZBQOSA-N 0 0 423.238 4.239 20 5 HIBDRN Cc1c(NC(=O)c2cc(F)c(F)c(F)c2F)cc(Br)cc1[N+](=O)[O-] ZINC000431181501 858491252 /nfs/dbraw/zinc/49/12/52/858491252.db2.gz RREWDFWULCHXEC-UHFFFAOYSA-N 0 0 407.117 4.474 20 5 HIBDRN CCN(C)C(=O)c1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431185163 858493974 /nfs/dbraw/zinc/49/39/74/858493974.db2.gz XJYVMYQCSQIWDQ-UHFFFAOYSA-N 0 0 420.263 4.010 20 5 HIBDRN COCc1cccc2sc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)nc21 ZINC000431192951 858497368 /nfs/dbraw/zinc/49/73/68/858497368.db2.gz MXTBISFFFPOMHR-UHFFFAOYSA-N 0 0 400.460 4.408 20 5 HIBDRN C[C@H](c1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1)N1CCOCC1 ZINC000431217339 858511128 /nfs/dbraw/zinc/51/11/28/858511128.db2.gz RLYZANPOOJUOTK-MRXNPFEDSA-N 0 0 412.490 4.045 20 5 HIBDRN CC1(C)Cc2ccc(Cl)c(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)c2O1 ZINC000431223012 858513850 /nfs/dbraw/zinc/51/38/50/858513850.db2.gz QMUKVOIAZVXUMM-UHFFFAOYSA-N 0 0 412.833 4.400 20 5 HIBDRN COc1cc(C(=O)Nc2c3c(ccc2Cl)CC(C)(C)O3)cc([N+](=O)[O-])c1OC ZINC000431231650 858519975 /nfs/dbraw/zinc/51/99/75/858519975.db2.gz VNRULSFIOXILIM-UHFFFAOYSA-N 0 0 406.822 4.231 20 5 HIBDRN CN(C(=O)COc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000431233669 858520970 /nfs/dbraw/zinc/52/09/70/858520970.db2.gz GMKDIGVKTCDUFM-MRXNPFEDSA-N 0 0 419.275 4.272 20 5 HIBDRN Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431249533 858530973 /nfs/dbraw/zinc/53/09/73/858530973.db2.gz TUIZQVAIXPCGHS-NSHDSACASA-N 0 0 410.293 4.489 20 5 HIBDRN Cc1c(NC(=O)c2cnc(-c3ccccn3)s2)cc(Br)cc1[N+](=O)[O-] ZINC000431257661 858535708 /nfs/dbraw/zinc/53/57/08/858535708.db2.gz MCQAKGFVXVMGNG-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN CC(C)(NC(=O)NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000431396268 858592985 /nfs/dbraw/zinc/59/29/85/858592985.db2.gz LMGLRAAVSDAIBI-UHFFFAOYSA-N 0 0 419.865 4.144 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCSC2(CCCCC2)C1 ZINC000431420149 858605767 /nfs/dbraw/zinc/60/57/67/858605767.db2.gz GQJGDNBGWNKHOV-UHFFFAOYSA-N 0 0 403.548 4.090 20 5 HIBDRN Cc1ccc(NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000431428023 858610204 /nfs/dbraw/zinc/61/02/04/858610204.db2.gz RVRXQYOYXUYDAE-CQSZACIVSA-N 0 0 417.771 4.431 20 5 HIBDRN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431515278 858651991 /nfs/dbraw/zinc/65/19/91/858651991.db2.gz YNSJDDBQPOHHJH-JTQLQIEISA-N 0 0 411.805 4.271 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000431580304 858676339 /nfs/dbraw/zinc/67/63/39/858676339.db2.gz TYPKYVJIFRFOES-CQSZACIVSA-N 0 0 414.405 4.182 20 5 HIBDRN Cc1ccc(C[C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000431589881 858679352 /nfs/dbraw/zinc/67/93/52/858679352.db2.gz MSXSCSGZMUHCSH-GOSISDBHSA-N 0 0 405.454 4.064 20 5 HIBDRN C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000431669524 858726896 /nfs/dbraw/zinc/72/68/96/858726896.db2.gz HYGYXZCNVLEWMA-LBPRGKRZSA-N 0 0 402.401 4.495 20 5 HIBDRN C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000431780819 858808452 /nfs/dbraw/zinc/80/84/52/858808452.db2.gz ZZXUQDOMBSOAAP-OAHLLOKOSA-N 0 0 410.474 4.017 20 5 HIBDRN CC(C)(NC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000431783400 858810149 /nfs/dbraw/zinc/81/01/49/858810149.db2.gz HXUDYBLAJCMCMI-OALUTQOASA-N 0 0 401.438 4.189 20 5 HIBDRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1csc([N+](=O)[O-])c1 ZINC000431892187 858859355 /nfs/dbraw/zinc/85/93/55/858859355.db2.gz QMXXOHGPLADUTH-UHFFFAOYSA-N 0 0 421.232 4.253 20 5 HIBDRN Cc1ccc([C@@H](C)N2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] ZINC000431933344 858877330 /nfs/dbraw/zinc/87/73/30/858877330.db2.gz AJJPYLQJSRPJPS-BZNIZROVSA-N 0 0 418.247 4.020 20 5 HIBDRN CCN(Cc1ccc(OC)cc1OC)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431938017 858878657 /nfs/dbraw/zinc/87/86/57/858878657.db2.gz MJWQVWTVVUQDHO-UHFFFAOYSA-N 0 0 423.263 4.037 20 5 HIBDRN Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1)CCC2 ZINC000431943279 858881230 /nfs/dbraw/zinc/88/12/30/858881230.db2.gz SOPAPKPOVCPTHV-CQSZACIVSA-N 0 0 410.293 4.272 20 5 HIBDRN COc1ccc(CNC(=O)Nc2c(C)cc(C)cc2Br)cc1[N+](=O)[O-] ZINC000431971030 858894977 /nfs/dbraw/zinc/89/49/77/858894977.db2.gz JONQELQQFAFKKF-UHFFFAOYSA-N 0 0 408.252 4.304 20 5 HIBDRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000432081420 858975027 /nfs/dbraw/zinc/97/50/27/858975027.db2.gz XNINICRDCCVRIH-UHFFFAOYSA-N 0 0 406.280 4.086 20 5 HIBDRN CS(=O)(=O)c1ccc(CNc2c(Cl)cccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000432133160 859009110 /nfs/dbraw/zinc/00/91/10/859009110.db2.gz KSCNPEHVVKUJJX-UHFFFAOYSA-N 0 0 408.785 4.283 20 5 HIBDRN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432143055 859013227 /nfs/dbraw/zinc/01/32/27/859013227.db2.gz KUOJSKDZKXWKAD-UHFFFAOYSA-N 0 0 413.249 4.075 20 5 HIBDRN CC1(C)CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000432147073 859015679 /nfs/dbraw/zinc/01/56/79/859015679.db2.gz DZBCXWZKVRLDNI-MRXNPFEDSA-N 0 0 423.391 4.069 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)cc1C ZINC000432268783 859077075 /nfs/dbraw/zinc/07/70/75/859077075.db2.gz PDIYYMIGEAHPRR-CQSZACIVSA-N 0 0 414.405 4.457 20 5 HIBDRN CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000432271478 859078060 /nfs/dbraw/zinc/07/80/60/859078060.db2.gz ZHDUCHSKFPGCLA-UHFFFAOYSA-N 0 0 402.813 4.060 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c(Cl)c1 ZINC000432309417 859097373 /nfs/dbraw/zinc/09/73/73/859097373.db2.gz ZTWUHDCXZYHPCP-LBPRGKRZSA-N 0 0 401.271 4.080 20 5 HIBDRN C[C@@H](Oc1ccc([N+](=O)[O-])c(CO)c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000432316628 859100496 /nfs/dbraw/zinc/10/04/96/859100496.db2.gz YRLJQVYMMVMECL-SNVBAGLBSA-N 0 0 409.320 4.296 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000432318866 859101237 /nfs/dbraw/zinc/10/12/37/859101237.db2.gz VKLOUSKKLUZMPT-IBGZPJMESA-N 0 0 424.453 4.039 20 5 HIBDRN COc1cc(N[C@@H]2CCCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)cc(OC)c1 ZINC000432324235 859103273 /nfs/dbraw/zinc/10/32/73/859103273.db2.gz GNFVJGRJZQWJIB-OAHLLOKOSA-N 0 0 408.458 4.241 20 5 HIBDRN CC[C@H]1CN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CCCO1 ZINC000467560149 881382252 /nfs/dbraw/zinc/38/22/52/881382252.db2.gz ONQPJQLOVDWATD-IBGZPJMESA-N 0 0 400.475 4.183 20 5 HIBDRN O=C(C[C@@H]1CCCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000432330327 859106067 /nfs/dbraw/zinc/10/60/67/859106067.db2.gz ZWNSRWJKWUTKTK-INIZCTEOSA-N 0 0 406.442 4.129 20 5 HIBDRN CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(F)cc1F ZINC000432335020 859108264 /nfs/dbraw/zinc/10/82/64/859108264.db2.gz IPEGMMHAEJSZRP-MRXNPFEDSA-N 0 0 401.369 4.068 20 5 HIBDRN COC(=O)c1cccc(NC2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)c1 ZINC000432339458 859109230 /nfs/dbraw/zinc/10/92/30/859109230.db2.gz IOIKMBJFQUHGLA-UHFFFAOYSA-N 0 0 406.442 4.011 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000432339831 859109817 /nfs/dbraw/zinc/10/98/17/859109817.db2.gz VCRLUCOPVRTXQO-SFHVURJKSA-N 0 0 423.322 4.081 20 5 HIBDRN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000432340299 859110126 /nfs/dbraw/zinc/11/01/26/859110126.db2.gz XZOXUVJYHDDFRU-SJORKVTESA-N 0 0 405.454 4.235 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CC[S@](=O)CC[C@H]3C)cc2[N+](=O)[O-])cc1 ZINC000432436342 859164124 /nfs/dbraw/zinc/16/41/24/859164124.db2.gz LIURCQQLOJMOBH-WQIZZMQYSA-N 0 0 418.540 4.038 20 5 HIBDRN C[C@H]1COCC[C@@H]1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000432443587 859167354 /nfs/dbraw/zinc/16/73/54/859167354.db2.gz ZBJKORYKZQYDTL-GUYCJALGSA-N 0 0 403.866 4.015 20 5 HIBDRN C[C@H]1COCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000432469643 859179178 /nfs/dbraw/zinc/17/91/78/859179178.db2.gz DVIDDERJOXIEET-UGSOOPFHSA-N 0 0 403.866 4.015 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(Br)ccc1F ZINC000432482632 859186658 /nfs/dbraw/zinc/18/66/58/859186658.db2.gz HPNNWCXTRCLNRP-UHFFFAOYSA-N 0 0 420.194 4.062 20 5 HIBDRN COC(=O)c1ccccc1CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000432483058 859186720 /nfs/dbraw/zinc/18/67/20/859186720.db2.gz LVIAKHLIZUWGPD-UHFFFAOYSA-N 0 0 411.458 4.176 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c1 ZINC000432593398 859244462 /nfs/dbraw/zinc/24/44/62/859244462.db2.gz NJFCGJROBHHOER-HNNXBMFYSA-N 0 0 410.455 4.175 20 5 HIBDRN CCOc1cc(NC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c([N+](=O)[O-])cc1OCC ZINC000432629320 859262693 /nfs/dbraw/zinc/26/26/93/859262693.db2.gz CNGHQZUUZAXCIE-IBGZPJMESA-N 0 0 414.462 4.402 20 5 HIBDRN CCCOc1cc(NC(=O)N2CC[C@@H](O)C23CCCC3)c([N+](=O)[O-])cc1OCCC ZINC000432645271 859269506 /nfs/dbraw/zinc/26/95/06/859269506.db2.gz VPTGERJPJOLLTC-LJQANCHMSA-N 0 0 421.494 4.084 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000432687262 859294351 /nfs/dbraw/zinc/29/43/51/859294351.db2.gz UECRRHDHMYUFFE-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1sccc1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000432713635 859313424 /nfs/dbraw/zinc/31/34/24/859313424.db2.gz KKQXVZDOARLUGZ-MRXNPFEDSA-N 0 0 402.472 4.347 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C)cc(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000432769320 859349087 /nfs/dbraw/zinc/34/90/87/859349087.db2.gz BJWOFZVPGJAZCV-UHFFFAOYSA-N 0 0 417.418 4.339 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000432772218 859352953 /nfs/dbraw/zinc/35/29/53/859352953.db2.gz RNGTYFNDGFYVGS-UHFFFAOYSA-N 0 0 421.251 4.140 20 5 HIBDRN C[C@@H]1CCS(=O)(=O)CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000432816239 859373074 /nfs/dbraw/zinc/37/30/74/859373074.db2.gz OFZUUVRLNIPWBD-CQSZACIVSA-N 0 0 424.906 4.050 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000432842765 859384094 /nfs/dbraw/zinc/38/40/94/859384094.db2.gz LNQTZNQCWHSLTR-SFHVURJKSA-N 0 0 412.396 4.426 20 5 HIBDRN COc1ccccc1-c1noc(C2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000432863478 859394734 /nfs/dbraw/zinc/39/47/34/859394734.db2.gz IWXHSTCEMFPBKJ-UHFFFAOYSA-N 0 0 415.837 4.086 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NCc2cc(F)c(Cl)cc2F)c([N+](=O)[O-])c1 ZINC000432930374 859434958 /nfs/dbraw/zinc/43/49/58/859434958.db2.gz DRGDHPHMAFQBRL-UHFFFAOYSA-N 0 0 406.776 4.103 20 5 HIBDRN C[C@@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@@]1=O ZINC000433052405 859501686 /nfs/dbraw/zinc/50/16/86/859501686.db2.gz MFTOKKPDVCBZEM-ASHKIFAZSA-N 0 0 408.907 4.383 20 5 HIBDRN NC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)c[nH]1 ZINC000467636710 881433362 /nfs/dbraw/zinc/43/33/62/881433362.db2.gz RMKPZYQOZMCQAB-UHFFFAOYSA-N 0 0 416.846 4.079 20 5 HIBDRN CN(C[C@H](O)Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000433169861 859551768 /nfs/dbraw/zinc/55/17/68/859551768.db2.gz TWTUBBWAKJRVLS-HXUWFJFHSA-N 0 0 421.453 4.454 20 5 HIBDRN CSCC[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nnc2ccccn21 ZINC000433177800 859556472 /nfs/dbraw/zinc/55/64/72/859556472.db2.gz VPBYVFMZOSJMFI-ZWKOTPCHSA-N 0 0 411.531 4.444 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CCc4ccc(O)cc4C3)c([N+](=O)[O-])c2)cc1 ZINC000433423272 859692488 /nfs/dbraw/zinc/69/24/88/859692488.db2.gz OHXPVGCEARFNBI-UHFFFAOYSA-N 0 0 403.438 4.424 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccnc2)nc1N1CCC[C@H]1c1cccnc1 ZINC000433600950 859804924 /nfs/dbraw/zinc/80/49/24/859804924.db2.gz VALFWHARIYBDQO-UXHICEINSA-N 0 0 416.485 4.463 20 5 HIBDRN O=C(Nc1ccccc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000433711578 859847727 /nfs/dbraw/zinc/84/77/27/859847727.db2.gz FFNAOEJPQKOSDY-OAQYLSRUSA-N 0 0 416.437 4.065 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000433735400 859864668 /nfs/dbraw/zinc/86/46/68/859864668.db2.gz LMGFAFNRXLANIB-UHFFFAOYSA-N 0 0 417.259 4.448 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C ZINC000433751410 859875370 /nfs/dbraw/zinc/87/53/70/859875370.db2.gz MEZYEVDCZXENLZ-UHFFFAOYSA-N 0 0 411.462 4.241 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(-c3nc4c(cccc4F)[nH]3)cc2)c1[N+](=O)[O-] ZINC000433754950 859876972 /nfs/dbraw/zinc/87/69/72/859876972.db2.gz AGUTWXDSICFMQC-UHFFFAOYSA-N 0 0 408.393 4.376 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1[N+](=O)[O-] ZINC000433831321 859919829 /nfs/dbraw/zinc/91/98/29/859919829.db2.gz CTGZFVPSNJJQKD-UHFFFAOYSA-N 0 0 424.413 4.001 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])ccc1OCCC(C)C ZINC000433837579 859924753 /nfs/dbraw/zinc/92/47/53/859924753.db2.gz FXPDVOIIAASHJY-CQSZACIVSA-N 0 0 418.494 4.366 20 5 HIBDRN CN(Cc1cc(Cl)ccc1F)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433911303 859964490 /nfs/dbraw/zinc/96/44/90/859964490.db2.gz HUXWNGVYBOZIAN-UHFFFAOYSA-N 0 0 400.237 4.425 20 5 HIBDRN O=C1[C@H](N2CCC[C@@H]2c2nc3ccccc3s2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000433955988 860000731 /nfs/dbraw/zinc/00/07/31/860000731.db2.gz AEFHXAWEBPFZOL-QZTJIDSGSA-N 0 0 408.483 4.147 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000433965783 860006465 /nfs/dbraw/zinc/00/64/65/860006465.db2.gz RZOGDOVKFZRIKG-UHFFFAOYSA-N 0 0 420.212 4.440 20 5 HIBDRN O=C(C[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000434023804 860046735 /nfs/dbraw/zinc/04/67/35/860046735.db2.gz GNJHLKNCJUIHRE-INIZCTEOSA-N 0 0 417.259 4.235 20 5 HIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC000434056926 860069806 /nfs/dbraw/zinc/06/98/06/860069806.db2.gz ASZJROWMPHFFCL-UHFFFAOYSA-N 0 0 419.485 4.033 20 5 HIBDRN CC(C)[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccnc1 ZINC000434168764 860163151 /nfs/dbraw/zinc/16/31/51/860163151.db2.gz WIRRKQFHYRFUJH-INIZCTEOSA-N 0 0 411.380 4.101 20 5 HIBDRN Cc1cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n(-c2cccc(C(F)(F)F)c2)n1 ZINC000434193244 860181251 /nfs/dbraw/zinc/18/12/51/860181251.db2.gz HUIXGSVGCVMJAB-UHFFFAOYSA-N 0 0 422.367 4.207 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000434226046 860211089 /nfs/dbraw/zinc/21/10/89/860211089.db2.gz OFGVFTJRQZJJBY-UHFFFAOYSA-N 0 0 413.478 4.098 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c1[N+](=O)[O-] ZINC000434238226 860220295 /nfs/dbraw/zinc/22/02/95/860220295.db2.gz VJZHSWDGGVXQPF-INIZCTEOSA-N 0 0 410.478 4.349 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c1[N+](=O)[O-] ZINC000434238227 860220869 /nfs/dbraw/zinc/22/08/69/860220869.db2.gz VJZHSWDGGVXQPF-MRXNPFEDSA-N 0 0 410.478 4.349 20 5 HIBDRN O=C(C[C@@H]1CCCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccco1 ZINC000434251856 860230622 /nfs/dbraw/zinc/23/06/22/860230622.db2.gz XPAHHQGGEVUEJV-IBGZPJMESA-N 0 0 422.441 4.031 20 5 HIBDRN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000434251849 860230906 /nfs/dbraw/zinc/23/09/06/860230906.db2.gz XNKPYYPCEKUAIA-ZDUSSCGKSA-N 0 0 420.897 4.198 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@@H](c4ccccc4)[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434251208 860231011 /nfs/dbraw/zinc/23/10/11/860231011.db2.gz URKHYQMAROXOFM-HTAPYJJXSA-N 0 0 418.497 4.475 20 5 HIBDRN O=C(C[C@@H]1CCCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000434256725 860234856 /nfs/dbraw/zinc/23/48/56/860234856.db2.gz PBAJZIOMOMMXOP-INIZCTEOSA-N 0 0 422.441 4.031 20 5 HIBDRN CCSCC[C@@H](C)N(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000434292004 860258011 /nfs/dbraw/zinc/25/80/11/860258011.db2.gz IKKYZIQQICPLMZ-CQSZACIVSA-N 0 0 404.536 4.060 20 5 HIBDRN CCCOc1cccc(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000434319080 860280116 /nfs/dbraw/zinc/28/01/16/860280116.db2.gz WGXXPOYHAWHKOJ-UHFFFAOYSA-N 0 0 407.264 4.119 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000434345119 860303727 /nfs/dbraw/zinc/30/37/27/860303727.db2.gz UYLANGZJZVLLAQ-UHFFFAOYSA-N 0 0 402.248 4.419 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCSC(C)(C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434375762 860320748 /nfs/dbraw/zinc/32/07/48/860320748.db2.gz YRIUGDCTNNTRRQ-CQSZACIVSA-N 0 0 400.504 4.131 20 5 HIBDRN C[C@H](CCO)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000434403276 860335633 /nfs/dbraw/zinc/33/56/33/860335633.db2.gz KHKBHFJRENLTJG-GFCCVEGCSA-N 0 0 417.512 4.104 20 5 HIBDRN CCOc1ccccc1[C@H](CC(C)C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000467731541 881532868 /nfs/dbraw/zinc/53/28/68/881532868.db2.gz LDMFDOQYCXBUON-IBGZPJMESA-N 0 0 406.504 4.200 20 5 HIBDRN CC(C)Oc1ccc(Br)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434555300 860398703 /nfs/dbraw/zinc/39/87/03/860398703.db2.gz TVIMWXPOTPRXAG-UHFFFAOYSA-N 0 0 411.256 4.243 20 5 HIBDRN Cc1cc(C)cc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000434769953 860489174 /nfs/dbraw/zinc/48/91/74/860489174.db2.gz XUIOSADGPSAJNN-UHFFFAOYSA-N 0 0 402.394 4.051 20 5 HIBDRN O=C(Nc1cc(F)c(F)cc1Br)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000435264841 860708396 /nfs/dbraw/zinc/70/83/96/860708396.db2.gz XOEPDBOLBUVXMA-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN Cc1c(NC(=O)N2CCOC3(CCCCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435321600 860734203 /nfs/dbraw/zinc/73/42/03/860734203.db2.gz XLTRTKSCVSRONU-UHFFFAOYSA-N 0 0 412.284 4.233 20 5 HIBDRN COc1ccc(CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000435322652 860734735 /nfs/dbraw/zinc/73/47/35/860734735.db2.gz FOSKUWRTPYVSEK-UHFFFAOYSA-N 0 0 408.252 4.039 20 5 HIBDRN Cc1c(NC(=O)NCCC[C@H]2CCCC[C@@H]2O)cc(Br)cc1[N+](=O)[O-] ZINC000435328979 860740802 /nfs/dbraw/zinc/74/08/02/860740802.db2.gz NTRVYJNTHZMRPU-WBMJQRKESA-N 0 0 414.300 4.119 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435333444 860743940 /nfs/dbraw/zinc/74/39/40/860743940.db2.gz PRMFYMZQMKTJTB-DOMZBBRYSA-N 0 0 414.300 4.381 20 5 HIBDRN CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000435358613 860759669 /nfs/dbraw/zinc/75/96/69/860759669.db2.gz QTZRYTWMXGZNME-UHFFFAOYSA-N 0 0 412.273 4.203 20 5 HIBDRN COc1ccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] ZINC000435388759 860781549 /nfs/dbraw/zinc/78/15/49/860781549.db2.gz HFTKBNPUIFDLCB-LLVKDONJSA-N 0 0 415.393 4.099 20 5 HIBDRN CC(C)CC(=O)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435442786 860800711 /nfs/dbraw/zinc/80/07/11/860800711.db2.gz KJIDBRGKPBUFEE-UHFFFAOYSA-N 0 0 407.517 4.298 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)NC(C1CC1)C1CC1 ZINC000435490365 860819920 /nfs/dbraw/zinc/81/99/20/860819920.db2.gz GPVRVORJPMIFKF-UHFFFAOYSA-N 0 0 417.512 4.051 20 5 HIBDRN CCCN(CC1CC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435503340 860825376 /nfs/dbraw/zinc/82/53/76/860825376.db2.gz XOWMBVRIIMXHEI-UHFFFAOYSA-N 0 0 419.528 4.395 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c1[N+](=O)[O-] ZINC000435517966 860835996 /nfs/dbraw/zinc/83/59/96/860835996.db2.gz SFGRNRYWWXRECW-OAHLLOKOSA-N 0 0 411.458 4.179 20 5 HIBDRN Cc1cc(OCC(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)ccc1[N+](=O)[O-] ZINC000435535711 860850661 /nfs/dbraw/zinc/85/06/61/860850661.db2.gz GYUCTAYJHOQVEH-UHFFFAOYSA-N 0 0 409.417 4.218 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)c1[N+](=O)[O-] ZINC000435540583 860854642 /nfs/dbraw/zinc/85/46/42/860854642.db2.gz CKAPHAIHNNRPQA-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN COc1cccc(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c1[N+](=O)[O-] ZINC000435555817 860874105 /nfs/dbraw/zinc/87/41/05/860874105.db2.gz ZTXJDTQLHIHPLX-UHFFFAOYSA-N 0 0 417.465 4.096 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2cccc(OC)c2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000435568457 860889461 /nfs/dbraw/zinc/88/94/61/860889461.db2.gz UCLCYXHBVKFTEW-CQSZACIVSA-N 0 0 414.458 4.424 20 5 HIBDRN CSc1ccc(CCNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 ZINC000435589255 860898606 /nfs/dbraw/zinc/89/86/06/860898606.db2.gz PLIXOEAZCISIIZ-UHFFFAOYSA-N 0 0 416.890 4.171 20 5 HIBDRN COc1cccc(C(=O)N(Cc2ccc(Br)cc2)C(C)C)c1[N+](=O)[O-] ZINC000435610741 860913651 /nfs/dbraw/zinc/91/36/51/860913651.db2.gz MFMJYEXFQKRROA-UHFFFAOYSA-N 0 0 407.264 4.417 20 5 HIBDRN Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000435721254 861004879 /nfs/dbraw/zinc/00/48/79/861004879.db2.gz BQZQIWCUUUARKJ-RTWAWAEBSA-N 0 0 421.453 4.277 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(Oc3ccc(CO)cc3)cc2)ccc1[N+](=O)[O-] ZINC000435766641 861043385 /nfs/dbraw/zinc/04/33/85/861043385.db2.gz ZGTLTJHXJFQGPO-UHFFFAOYSA-N 0 0 408.410 4.205 20 5 HIBDRN COc1ccccc1-n1c(NC(=O)c2cccc(OC)c2[N+](=O)[O-])nc2ccccc21 ZINC000435827924 861091524 /nfs/dbraw/zinc/09/15/24/861091524.db2.gz RSRZTEBSQYHIMF-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN COc1cccc(C(=O)N2CCCc3cc(Br)cc(C)c32)c1[N+](=O)[O-] ZINC000435859580 861118016 /nfs/dbraw/zinc/11/80/16/861118016.db2.gz ARZSIOASHHCKKW-UHFFFAOYSA-N 0 0 405.248 4.267 20 5 HIBDRN C[C@@H]1COCC[C@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000435860055 861120238 /nfs/dbraw/zinc/12/02/38/861120238.db2.gz CWIUWDDWAKTWHN-IUODEOHRSA-N 0 0 422.840 4.468 20 5 HIBDRN COc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1[N+](=O)[O-] ZINC000435874487 861134178 /nfs/dbraw/zinc/13/41/78/861134178.db2.gz KTRVFILBOPXHLM-QFIPXVFZSA-N 0 0 418.449 4.448 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1C ZINC000435876724 861136419 /nfs/dbraw/zinc/13/64/19/861136419.db2.gz KFSSZZOZCZGARZ-UHFFFAOYSA-N 0 0 403.413 4.340 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1[N+](=O)[O-] ZINC000435881544 861140588 /nfs/dbraw/zinc/14/05/88/861140588.db2.gz PHQAXFBCZMDDDP-PMERELPUSA-N 0 0 424.478 4.305 20 5 HIBDRN CN(c1ccc(C(F)(F)F)cc1Cl)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000435896351 861152848 /nfs/dbraw/zinc/15/28/48/861152848.db2.gz DLSQVNVODIGXRV-UHFFFAOYSA-N 0 0 422.812 4.276 20 5 HIBDRN CC(C)Cn1cc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C(F)F)n1 ZINC000435900689 861156253 /nfs/dbraw/zinc/15/62/53/861156253.db2.gz CISFNINAXHTYIV-SNVBAGLBSA-N 0 0 415.828 4.477 20 5 HIBDRN CCc1ccc(CC)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000437779841 863098981 /nfs/dbraw/zinc/09/89/81/863098981.db2.gz SGBANRJKSMGMQD-NRFANRHFSA-N 0 0 409.486 4.271 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](COCc2ccccc2)C1 ZINC000437821771 863163556 /nfs/dbraw/zinc/16/35/56/863163556.db2.gz QUIMOXILDZZWEH-OAHLLOKOSA-N 0 0 421.400 4.267 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000437910605 863285694 /nfs/dbraw/zinc/28/56/94/863285694.db2.gz YHMVWQVXJUCKHD-ZDUSSCGKSA-N 0 0 402.476 4.116 20 5 HIBDRN COc1cc(Oc2ccccc2)ccc1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000437911645 863288940 /nfs/dbraw/zinc/28/89/40/863288940.db2.gz OUHHIZGEURVBBR-UHFFFAOYSA-N 0 0 410.430 4.238 20 5 HIBDRN COc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC(F)F ZINC000437918074 863295604 /nfs/dbraw/zinc/29/56/04/863295604.db2.gz ICTXQKNUZXCTMO-UHFFFAOYSA-N 0 0 421.400 4.079 20 5 HIBDRN O=C(NCCNc1ncc(Cl)cc1Cl)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437930956 863306991 /nfs/dbraw/zinc/30/69/91/863306991.db2.gz FHRFMBCPIFKZRH-UHFFFAOYSA-N 0 0 424.288 4.083 20 5 HIBDRN CN(Cc1ccccc1N1CCCC1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437949681 863323042 /nfs/dbraw/zinc/32/30/42/863323042.db2.gz CMEPRSXWABQWBD-UHFFFAOYSA-N 0 0 407.392 4.486 20 5 HIBDRN COc1ccc(OC(F)F)c(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000437982240 863349138 /nfs/dbraw/zinc/34/91/38/863349138.db2.gz YNKDWOHLBSXSQC-UHFFFAOYSA-N 0 0 421.400 4.079 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCc1ccccn1)Cc1ccncc1 ZINC000438087536 863486454 /nfs/dbraw/zinc/48/64/54/863486454.db2.gz GBKLKZVMDYKJOU-NRFANRHFSA-N 0 0 418.497 4.225 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)NCC3([S@@](C)=O)CCC3)cc2[N+](=O)[O-])cc1 ZINC000438113383 863530056 /nfs/dbraw/zinc/53/00/56/863530056.db2.gz BIPFYXRULWQUJO-MUUNZHRXSA-N 0 0 418.540 4.085 20 5 HIBDRN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438146653 863565758 /nfs/dbraw/zinc/56/57/58/863565758.db2.gz OVNKHNFJOAZHMG-FXFTYNISSA-N 0 0 412.489 4.224 20 5 HIBDRN C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000438146928 863567881 /nfs/dbraw/zinc/56/78/81/863567881.db2.gz GKEZETXGEKTZSQ-FTLABTOESA-N 0 0 424.375 4.219 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000438316290 863796090 /nfs/dbraw/zinc/79/60/90/863796090.db2.gz GDSDGINJPOGAFN-SWLSCSKDSA-N 0 0 420.256 4.133 20 5 HIBDRN CCSCc1cccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000438367573 863829878 /nfs/dbraw/zinc/82/98/78/863829878.db2.gz NTTWVSZHDUIVRX-UHFFFAOYSA-N 0 0 400.504 4.202 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(CSC)c1 ZINC000438378816 863837100 /nfs/dbraw/zinc/83/71/00/863837100.db2.gz NXTWLRLBKSNTBI-UHFFFAOYSA-N 0 0 406.529 4.126 20 5 HIBDRN COc1cc(CN2CCc3ncsc3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000438380236 863837120 /nfs/dbraw/zinc/83/71/20/863837120.db2.gz ZDHYTBMQLVBJIX-UHFFFAOYSA-N 0 0 411.483 4.197 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000438427252 863860797 /nfs/dbraw/zinc/86/07/97/863860797.db2.gz OMAXBCBACIMTGR-MSOLQXFVSA-N 0 0 417.412 4.426 20 5 HIBDRN O=C(NCCCOC1CCOCC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000438493098 863911925 /nfs/dbraw/zinc/91/19/25/863911925.db2.gz QGRGRQUNXSSONF-UHFFFAOYSA-N 0 0 415.446 4.094 20 5 HIBDRN Cn1cc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438538513 863964636 /nfs/dbraw/zinc/96/46/36/863964636.db2.gz FQZCTCRYZLTDGF-TZMCWYRMSA-N 0 0 410.396 4.094 20 5 HIBDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000438545638 863973662 /nfs/dbraw/zinc/97/36/62/863973662.db2.gz BFCNDJFZVPMLHX-ORAYPTAESA-N 0 0 404.850 4.077 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1[N+](=O)[O-] ZINC000438589974 864019641 /nfs/dbraw/zinc/01/96/41/864019641.db2.gz UPCXFBRCYXHJRZ-UHFFFAOYSA-N 0 0 422.264 4.019 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000438758202 864252151 /nfs/dbraw/zinc/25/21/51/864252151.db2.gz UNVHWBAINZELSW-UHFFFAOYSA-N 0 0 411.458 4.330 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1 ZINC000438769630 864264838 /nfs/dbraw/zinc/26/48/38/864264838.db2.gz BXXUKKRWWDXEST-UHFFFAOYSA-N 0 0 405.819 4.236 20 5 HIBDRN O=[N+]([O-])c1cnn(C[C@@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000438785859 864278384 /nfs/dbraw/zinc/27/83/84/864278384.db2.gz WXBXDLROVGQBJV-GOSISDBHSA-N 0 0 421.482 4.002 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)Nc2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000438815701 864306959 /nfs/dbraw/zinc/30/69/59/864306959.db2.gz TZWYSMZPOKHLSR-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN COC(=O)c1cccc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)c1 ZINC000438815929 864309123 /nfs/dbraw/zinc/30/91/23/864309123.db2.gz YATVHYMSGUFLFX-UHFFFAOYSA-N 0 0 408.395 4.222 20 5 HIBDRN O=C(Nc1cc(Br)ccn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000438819410 864311464 /nfs/dbraw/zinc/31/14/64/864311464.db2.gz OVZRUJMYZUJVQZ-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN Cc1c(CC(=O)NCC2(c3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] ZINC000438835744 864329385 /nfs/dbraw/zinc/32/93/85/864329385.db2.gz XJHVPXLZLPFZNV-UHFFFAOYSA-N 0 0 403.276 4.056 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000438937539 864413393 /nfs/dbraw/zinc/41/33/93/864413393.db2.gz QQFNHAYTPUDKQC-UHFFFAOYSA-N 0 0 413.861 4.498 20 5 HIBDRN COc1ccc2c(c1)CCN(C(=O)c1ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c1)CC2 ZINC000438936753 864413417 /nfs/dbraw/zinc/41/34/17/864413417.db2.gz WHGWEFXKCKQVNP-KRWDZBQOSA-N 0 0 423.513 4.081 20 5 HIBDRN Cc1c(CC(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cccc1[N+](=O)[O-] ZINC000438935937 864413508 /nfs/dbraw/zinc/41/35/08/864413508.db2.gz UHBJLZICGSGMFD-NRFANRHFSA-N 0 0 410.861 4.137 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c2cccnc12 ZINC000438938000 864415074 /nfs/dbraw/zinc/41/50/74/864415074.db2.gz AEYGKRFYVYVFBO-UHFFFAOYSA-N 0 0 423.425 4.071 20 5 HIBDRN CCOC(=O)[C@@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000438943140 864417632 /nfs/dbraw/zinc/41/76/32/864417632.db2.gz UGHMCJCISIQVNY-OAHLLOKOSA-N 0 0 402.834 4.254 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000438949372 864422372 /nfs/dbraw/zinc/42/23/72/864422372.db2.gz QJCYZFURJLBVMQ-UHFFFAOYSA-N 0 0 418.247 4.080 20 5 HIBDRN CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1C ZINC000438963634 864431321 /nfs/dbraw/zinc/43/13/21/864431321.db2.gz GCYZRVNFINEDOY-UHFFFAOYSA-N 0 0 405.476 4.041 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000438974066 864439888 /nfs/dbraw/zinc/43/98/88/864439888.db2.gz LTMAQEKWCLDGIM-NRFANRHFSA-N 0 0 407.470 4.306 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1[N+](=O)[O-] ZINC000438976414 864441882 /nfs/dbraw/zinc/44/18/82/864441882.db2.gz SUSHVEOICLOMTE-HNNXBMFYSA-N 0 0 421.457 4.367 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000439014155 864464887 /nfs/dbraw/zinc/46/48/87/864464887.db2.gz ZITVBTOKMDARQG-UHFFFAOYSA-N 0 0 404.264 4.081 20 5 HIBDRN Cc1c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cccc1-c1nnc2n1CCCCC2 ZINC000439050047 864502024 /nfs/dbraw/zinc/50/20/24/864502024.db2.gz KWCXVHRZSRKHGV-UHFFFAOYSA-N 0 0 419.485 4.378 20 5 HIBDRN CCc1noc(-c2ccc(CCNC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000439099037 864539442 /nfs/dbraw/zinc/53/94/42/864539442.db2.gz IWNTYDWUUUTSPT-UHFFFAOYSA-N 0 0 414.849 4.142 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000439103630 864542110 /nfs/dbraw/zinc/54/21/10/864542110.db2.gz VXOSLDUPNYBVNE-UHFFFAOYSA-N 0 0 418.453 4.296 20 5 HIBDRN COC(=O)c1cc(C)nc2nc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)sc21 ZINC000439105042 864543134 /nfs/dbraw/zinc/54/31/34/864543134.db2.gz BOCZSYMFOFDEPG-UHFFFAOYSA-N 0 0 414.443 4.070 20 5 HIBDRN COc1ccc(Br)c(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000439106629 864544343 /nfs/dbraw/zinc/54/43/43/864544343.db2.gz MTKUHYIJFQORBQ-UHFFFAOYSA-N 0 0 413.655 4.258 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1cc(Br)ccc1F ZINC000439106347 864544890 /nfs/dbraw/zinc/54/48/90/864544890.db2.gz LYEHZBNYLKLNGY-UHFFFAOYSA-N 0 0 415.646 4.431 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000439117539 864553887 /nfs/dbraw/zinc/55/38/87/864553887.db2.gz ILMBRZNDJRUPLA-UONOGXRCSA-N 0 0 405.248 4.042 20 5 HIBDRN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439132449 864566673 /nfs/dbraw/zinc/56/66/73/864566673.db2.gz QFZVNJFSVRQNNB-UHFFFAOYSA-N 0 0 405.401 4.097 20 5 HIBDRN Cc1nc(-c2cccc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)c2)cs1 ZINC000439154717 864585983 /nfs/dbraw/zinc/58/59/83/864585983.db2.gz SOHKMBBYYQRPMA-UHFFFAOYSA-N 0 0 405.439 4.669 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cc1[N+](=O)[O-] ZINC000439170627 864599925 /nfs/dbraw/zinc/59/99/25/864599925.db2.gz QRACSWWVDLWHRM-UHFFFAOYSA-N 0 0 409.417 4.320 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000439229074 864646721 /nfs/dbraw/zinc/64/67/21/864646721.db2.gz ZJVKCBXYSVCTMH-UHFFFAOYSA-N 0 0 422.384 4.408 20 5 HIBDRN Cc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nc(-c2ccccc2)n1 ZINC000439300940 864727571 /nfs/dbraw/zinc/72/75/71/864727571.db2.gz ZMHJOAKJHYNYJV-UHFFFAOYSA-N 0 0 417.469 4.215 20 5 HIBDRN CN(C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])nc1 ZINC000439304893 864733051 /nfs/dbraw/zinc/73/30/51/864733051.db2.gz OYUFGDKPPHGQMR-UHFFFAOYSA-N 0 0 423.816 4.366 20 5 HIBDRN CC(C)c1ccc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000439423689 864826844 /nfs/dbraw/zinc/82/68/44/864826844.db2.gz SLNFPMUUBKPEFW-UHFFFAOYSA-N 0 0 417.456 4.391 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000439656822 864983671 /nfs/dbraw/zinc/98/36/71/864983671.db2.gz VYKDDSWRKIZVKO-KRWDZBQOSA-N 0 0 412.412 4.331 20 5 HIBDRN O=C(Nc1cnccc1-c1cccc(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000439668049 864998824 /nfs/dbraw/zinc/99/88/24/864998824.db2.gz TXHRGTDLWUWTKK-UHFFFAOYSA-N 0 0 403.373 4.234 20 5 HIBDRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n1 ZINC000439682595 865017843 /nfs/dbraw/zinc/01/78/43/865017843.db2.gz MNQRSXHQLNGDNJ-UHFFFAOYSA-N 0 0 416.821 4.048 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000467974168 881829776 /nfs/dbraw/zinc/82/97/76/881829776.db2.gz HXTTYMPKOVUGCB-UHFFFAOYSA-N 0 0 410.474 4.478 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1cccs1)C(CC)CC ZINC000439713494 865050529 /nfs/dbraw/zinc/05/05/29/865050529.db2.gz ZGFVFRWQFIGIOZ-GOSISDBHSA-N 0 0 419.503 4.287 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(CC)cc1)C(C)C ZINC000439745586 865077762 /nfs/dbraw/zinc/07/77/62/865077762.db2.gz LUGJEHHUOKWUHG-HXUWFJFHSA-N 0 0 413.474 4.008 20 5 HIBDRN COc1ccc(Sc2nsc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])n2)cc1 ZINC000439760106 865086823 /nfs/dbraw/zinc/08/68/23/865086823.db2.gz NECFBOLTCXQASV-UHFFFAOYSA-N 0 0 402.457 4.167 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000467982039 881833122 /nfs/dbraw/zinc/83/31/22/881833122.db2.gz IHWYAAKWSBASKL-OAHLLOKOSA-N 0 0 403.307 4.018 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1sccc1Br ZINC000439878797 865189563 /nfs/dbraw/zinc/18/95/63/865189563.db2.gz CVNINXARNMUXED-UHFFFAOYSA-N 0 0 400.254 4.139 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000439881024 865192283 /nfs/dbraw/zinc/19/22/83/865192283.db2.gz BEJNWAUBNZEGLC-SFHVURJKSA-N 0 0 423.828 4.391 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000439885551 865198020 /nfs/dbraw/zinc/19/80/20/865198020.db2.gz ZQRWDVRBGMFQOB-KRWDZBQOSA-N 0 0 415.446 4.380 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)Cc1ccc(OC)cc1OC ZINC000439910048 865219875 /nfs/dbraw/zinc/21/98/75/865219875.db2.gz QGSAAVMOUPHAER-UHFFFAOYSA-N 0 0 403.435 4.065 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)c([N+](=O)[O-])cc1OC ZINC000439991445 865302092 /nfs/dbraw/zinc/30/20/92/865302092.db2.gz BOFRNBSSYJDTFQ-QHCPKHFHSA-N 0 0 410.470 4.122 20 5 HIBDRN CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000440138333 865376920 /nfs/dbraw/zinc/37/69/20/865376920.db2.gz UPDBPXNENVYPJT-UHFFFAOYSA-N 0 0 415.877 4.490 20 5 HIBDRN COc1cc(C(=O)NC[C@@](C)(O)C(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000440232083 865470528 /nfs/dbraw/zinc/47/05/28/865470528.db2.gz MGVUZWOTDGPZDN-HXUWFJFHSA-N 0 0 422.865 4.186 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CC(C)(C)OC(C)(C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000468059028 881880451 /nfs/dbraw/zinc/88/04/51/881880451.db2.gz JETINKGJQDXGRZ-HNNXBMFYSA-N 0 0 412.490 4.193 20 5 HIBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000468064263 881883207 /nfs/dbraw/zinc/88/32/07/881883207.db2.gz FTLFCHVGWMQTAW-UHFFFAOYSA-N 0 0 415.858 4.200 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000468074854 881888624 /nfs/dbraw/zinc/88/86/24/881888624.db2.gz LDULROODDGGGSF-UHFFFAOYSA-N 0 0 414.330 4.282 20 5 HIBDRN CCN(Cc1c[nH]c2ccccc12)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000468086261 881895072 /nfs/dbraw/zinc/89/50/72/881895072.db2.gz FYRCMAQYOBBCSF-UHFFFAOYSA-N 0 0 406.486 4.341 20 5 HIBDRN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)c12 ZINC000440402085 865693184 /nfs/dbraw/zinc/69/31/84/865693184.db2.gz AMUWZQNKZPTRBW-UHFFFAOYSA-N 0 0 408.462 4.236 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1c(-c2cccnc2)nc2ccccn21 ZINC000440405029 865698999 /nfs/dbraw/zinc/69/89/99/865698999.db2.gz DAEDNAHRPCJYBY-UHFFFAOYSA-N 0 0 405.439 4.035 20 5 HIBDRN O=C(NCCc1cn2ccccc2n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440426120 865726525 /nfs/dbraw/zinc/72/65/25/865726525.db2.gz OUNPSUADEADEFA-UHFFFAOYSA-N 0 0 418.478 4.366 20 5 HIBDRN O=C(c1ccnc(N2CCCCC2)n1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440599316 865830972 /nfs/dbraw/zinc/83/09/72/865830972.db2.gz PFJPFWFCTXDQCK-UHFFFAOYSA-N 0 0 417.469 4.222 20 5 HIBDRN O=C(COCCOc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440604489 865834284 /nfs/dbraw/zinc/83/42/84/865834284.db2.gz WAHMQQIJNOVQGH-UHFFFAOYSA-N 0 0 406.438 4.224 20 5 HIBDRN C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)C[C@H](C)O1 ZINC000440623280 865843876 /nfs/dbraw/zinc/84/38/76/865843876.db2.gz GOXYFZZMIIKRPB-HOTGVXAUSA-N 0 0 420.469 4.005 20 5 HIBDRN Cc1ccc(-c2nc(CC(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cs2)cc1 ZINC000440625642 865845689 /nfs/dbraw/zinc/84/56/89/865845689.db2.gz LVIUZUQRBXLHRJ-UHFFFAOYSA-N 0 0 404.451 4.756 20 5 HIBDRN CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000440716413 865873172 /nfs/dbraw/zinc/87/31/72/865873172.db2.gz YJDMMRZEBSIKKT-QGZVFWFLSA-N 0 0 422.525 4.124 20 5 HIBDRN C[C@H](C(=O)NCCc1cn(C)c2cc(Cl)ccc12)c1ccc([N+](=O)[O-])cc1F ZINC000440735635 865881102 /nfs/dbraw/zinc/88/11/02/865881102.db2.gz XJXFFUDDXNGLFK-LBPRGKRZSA-N 0 0 403.841 4.341 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000440749651 865887816 /nfs/dbraw/zinc/88/78/16/865887816.db2.gz CFWJNKNVWDIMDO-IBGZPJMESA-N 0 0 423.860 4.443 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OCc1ccnc(-c2ccc(Br)cc2)n1 ZINC000440774418 865900211 /nfs/dbraw/zinc/90/02/11/865900211.db2.gz XLFSDNUHDWWMEO-UHFFFAOYSA-N 0 0 416.231 4.402 20 5 HIBDRN 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865959709 /nfs/dbraw/zinc/95/97/09/865959709.db2.gz IBGCRZJCMHZKGJ-JTQLQIEISA-N 0 0 411.241 4.360 20 5 HIBDRN Cc1cc(C)c(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])c(C4CC4)n3)n2)c(C)c1 ZINC000468108908 881925170 /nfs/dbraw/zinc/92/51/70/881925170.db2.gz IDJRVWAVTWNNHB-UHFFFAOYSA-N 0 0 411.487 4.356 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000440965161 866051603 /nfs/dbraw/zinc/05/16/03/866051603.db2.gz GRXZLQDGXFFDRW-KRWDZBQOSA-N 0 0 421.375 4.306 20 5 HIBDRN COc1ccc(C[C@@H]2CCCN(C(=O)CCOc3cc(C)ccc3[N+](=O)[O-])C2)cc1 ZINC000441009837 866081244 /nfs/dbraw/zinc/08/12/44/866081244.db2.gz HFNAMMBJRGYUOI-IBGZPJMESA-N 0 0 412.486 4.162 20 5 HIBDRN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441066668 866152335 /nfs/dbraw/zinc/15/23/35/866152335.db2.gz PBRQTYNZQXDGNI-MRXNPFEDSA-N 0 0 420.494 4.150 20 5 HIBDRN CCOc1ccc2c(c1)CCN([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000441081204 866176883 /nfs/dbraw/zinc/17/68/83/866176883.db2.gz ROMVABYVIBWSST-ZDUSSCGKSA-N 0 0 403.866 4.032 20 5 HIBDRN Cc1c(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)sc2ccc(Cl)cc12 ZINC000441147306 866239873 /nfs/dbraw/zinc/23/98/73/866239873.db2.gz XHUGCOSUFXAVHP-UHFFFAOYSA-N 0 0 418.858 4.473 20 5 HIBDRN Cc1ccc(CN(Cc2ccco2)Cc2c([N+](=O)[O-])ncn2C)c(Br)c1 ZINC000441234383 866310132 /nfs/dbraw/zinc/31/01/32/866310132.db2.gz QMZUMNKFCPUKMX-UHFFFAOYSA-N 0 0 419.279 4.195 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441268848 866343840 /nfs/dbraw/zinc/34/38/40/866343840.db2.gz YCETVRVMUSLIGB-HUUCEWRRSA-N 0 0 405.882 4.403 20 5 HIBDRN Cc1nn(C)c(C)c1CCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441293115 866368083 /nfs/dbraw/zinc/36/80/83/866368083.db2.gz CXCMOHJNMKICGO-UHFFFAOYSA-N 0 0 424.526 4.459 20 5 HIBDRN COc1ccc(NC(=O)C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000441397889 866471776 /nfs/dbraw/zinc/47/17/76/866471776.db2.gz XGBFRTGNXUJKEW-OAHLLOKOSA-N 0 0 413.474 4.005 20 5 HIBDRN CCCN(C(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000441429809 866507055 /nfs/dbraw/zinc/50/70/55/866507055.db2.gz QIRAHJFENCCXKM-UHFFFAOYSA-N 0 0 424.482 4.289 20 5 HIBDRN CCCN(C(=O)c1cc(C)n(-c2ccc(F)cc2F)n1)c1cccc([N+](=O)[O-])c1 ZINC000441443641 866520510 /nfs/dbraw/zinc/52/05/10/866520510.db2.gz DENDNUDQDIPEED-UHFFFAOYSA-N 0 0 400.385 4.424 20 5 HIBDRN CCCN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000441452570 866527861 /nfs/dbraw/zinc/52/78/61/866527861.db2.gz AYOXVVVSRDEQPY-UHFFFAOYSA-N 0 0 411.458 4.082 20 5 HIBDRN CO[C@@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000441460795 866535519 /nfs/dbraw/zinc/53/55/19/866535519.db2.gz VDVTYIKKAZOPKE-GXTWGEPZSA-N 0 0 407.517 4.150 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H](C)CO2)c1 ZINC000441459510 866536439 /nfs/dbraw/zinc/53/64/39/866536439.db2.gz BISREDYYQUHTHO-OXQOHEQNSA-N 0 0 408.458 4.224 20 5 HIBDRN CCCN(C(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1cccc([N+](=O)[O-])c1 ZINC000441483502 866565614 /nfs/dbraw/zinc/56/56/14/866565614.db2.gz GZJGOTJVWBYSCY-UHFFFAOYSA-N 0 0 406.442 4.023 20 5 HIBDRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000441487677 866568397 /nfs/dbraw/zinc/56/83/97/866568397.db2.gz FWTGGPHFTZMMLF-OAQYLSRUSA-N 0 0 419.485 4.154 20 5 HIBDRN C[C@@H](C(=O)N1CCOc2c(Br)cccc21)c1ccc([N+](=O)[O-])cc1F ZINC000441539350 866617037 /nfs/dbraw/zinc/61/70/37/866617037.db2.gz YLYIGZONEIIRGS-SNVBAGLBSA-N 0 0 409.211 4.026 20 5 HIBDRN COCc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(-c2ccccc2)s1 ZINC000441793975 866863684 /nfs/dbraw/zinc/86/36/84/866863684.db2.gz XCIIJCCXIQTIQU-UHFFFAOYSA-N 0 0 412.471 4.495 20 5 HIBDRN Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441842432 866900586 /nfs/dbraw/zinc/90/05/86/866900586.db2.gz TVLGKUGURUGSCP-UHFFFAOYSA-N 0 0 419.865 4.449 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000441980737 867040002 /nfs/dbraw/zinc/04/00/02/867040002.db2.gz SYTOOFDHRDFMDE-IBGZPJMESA-N 0 0 424.501 4.107 20 5 HIBDRN O=C(Nc1nc(C2CCC2)cs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000442060867 867094051 /nfs/dbraw/zinc/09/40/51/867094051.db2.gz SBRJHJKGXDYOPJ-UHFFFAOYSA-N 0 0 402.476 4.394 20 5 HIBDRN CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000442159984 867181259 /nfs/dbraw/zinc/18/12/59/867181259.db2.gz XWBZYESTMIBZFD-SGTLLEGYSA-N 0 0 403.866 4.399 20 5 HIBDRN C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Br)s1 ZINC000468177315 882055842 /nfs/dbraw/zinc/05/58/42/882055842.db2.gz JPPNVDHDQPHYEK-SECBINFHSA-N 0 0 408.277 4.320 20 5 HIBDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)c1 ZINC000442180202 867202059 /nfs/dbraw/zinc/20/20/59/867202059.db2.gz FTAYVBQGIRQKHW-NRFANRHFSA-N 0 0 403.442 4.061 20 5 HIBDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000468181714 882058796 /nfs/dbraw/zinc/05/87/96/882058796.db2.gz CZQCMZYKOVDTLN-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1nc(C2CCCCC2)no1 ZINC000468186490 882062201 /nfs/dbraw/zinc/06/22/01/882062201.db2.gz BLDWLWBXDXQKMZ-NSHDSACASA-N 0 0 407.858 4.239 20 5 HIBDRN COc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)C(C)(C)CC3(C)C)cc1[N+](=O)[O-] ZINC000442249366 867288913 /nfs/dbraw/zinc/28/89/13/867288913.db2.gz KEWRWMPMZMGEBK-UHFFFAOYSA-N 0 0 411.458 4.140 20 5 HIBDRN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1 ZINC000442320011 867325875 /nfs/dbraw/zinc/32/58/75/867325875.db2.gz DVTRHGKEAUSUPD-UHFFFAOYSA-N 0 0 405.819 4.236 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000442369945 867356507 /nfs/dbraw/zinc/35/65/07/867356507.db2.gz MLAVYNXFRHTHLC-ULFGMLNVSA-N 0 0 401.850 4.009 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000442371893 867359504 /nfs/dbraw/zinc/35/95/04/867359504.db2.gz CEJIEKBELVIQIT-BKGUAONASA-N 0 0 401.850 4.009 20 5 HIBDRN O=C(Nc1cc(F)cc(Br)c1F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000468196923 882075258 /nfs/dbraw/zinc/07/52/58/882075258.db2.gz YNUJFLQRLQMSCX-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN CC(C)[C@@H]1CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000442386826 867372281 /nfs/dbraw/zinc/37/22/81/867372281.db2.gz AKTMPRBGMANSID-AWEZNQCLSA-N 0 0 405.501 4.003 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(c2ccccc2)CCCC1 ZINC000442523415 867498584 /nfs/dbraw/zinc/49/85/84/867498584.db2.gz RRKDITBMYANDAC-AWEZNQCLSA-N 0 0 415.877 4.203 20 5 HIBDRN C[C@H](C(=O)N1CCOc2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1F ZINC000468209699 882091657 /nfs/dbraw/zinc/09/16/57/882091657.db2.gz CKWYWXHGQNMSIT-JTQLQIEISA-N 0 0 409.211 4.026 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CC[C@H]2CCCO2)cc1 ZINC000468213788 882095947 /nfs/dbraw/zinc/09/59/47/882095947.db2.gz BIJKIBFDHMUHEY-QGZVFWFLSA-N 0 0 400.431 4.037 20 5 HIBDRN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442635508 867577743 /nfs/dbraw/zinc/57/77/43/867577743.db2.gz FQTLHCNNHFXLOG-RXVVDRJESA-N 0 0 406.463 4.134 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000442935475 867751606 /nfs/dbraw/zinc/75/16/06/867751606.db2.gz SVVSUKACDXQOPS-ZPMCFJSWSA-N 0 0 412.486 4.485 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCOC[C@]23CCOC3)ccc1Oc1ccccc1Cl ZINC000443069246 867809752 /nfs/dbraw/zinc/80/97/52/867809752.db2.gz MPNAMUQVZHNZEF-HXUWFJFHSA-N 0 0 404.850 4.032 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC2(CCC2)C1 ZINC000468234944 882128720 /nfs/dbraw/zinc/12/87/20/882128720.db2.gz NKJUZLQJXZETQV-UHFFFAOYSA-N 0 0 416.481 4.393 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(Br)s1 ZINC000443380783 867942136 /nfs/dbraw/zinc/94/21/36/867942136.db2.gz GIMPZOCJOQYPOD-MRVPVSSYSA-N 0 0 400.254 4.310 20 5 HIBDRN C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000443404631 867985368 /nfs/dbraw/zinc/98/53/68/867985368.db2.gz UDTLZXZVXDOKJQ-LLVKDONJSA-N 0 0 412.309 4.488 20 5 HIBDRN COc1cc(CSCC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000443407381 867988035 /nfs/dbraw/zinc/98/80/35/867988035.db2.gz PRRAZCYIJGJBAP-UHFFFAOYSA-N 0 0 412.414 4.119 20 5 HIBDRN O=C(NCc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1)Nc1ccccc1Cl ZINC000443459054 868048577 /nfs/dbraw/zinc/04/85/77/868048577.db2.gz BTCTVZJDDGSYES-UHFFFAOYSA-N 0 0 413.821 4.150 20 5 HIBDRN O=C(Nc1ccccc1F)Nc1cccc2c1CCN(c1ncc([N+](=O)[O-])s1)C2 ZINC000443507753 868072732 /nfs/dbraw/zinc/07/27/32/868072732.db2.gz IWLIOPKONOXXAT-UHFFFAOYSA-N 0 0 413.434 4.397 20 5 HIBDRN CC[C@]1(C)CCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000468252464 882161806 /nfs/dbraw/zinc/16/18/06/882161806.db2.gz URHCPDFZWVZGCB-HSZRJFAPSA-N 0 0 409.486 4.154 20 5 HIBDRN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443682473 868288003 /nfs/dbraw/zinc/28/80/03/868288003.db2.gz 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869044521 /nfs/dbraw/zinc/04/45/21/869044521.db2.gz LBOCPFDKSVYHPL-UHFFFAOYSA-N 0 0 400.822 4.259 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000444841987 869046739 /nfs/dbraw/zinc/04/67/39/869046739.db2.gz YCZMFLZEJUDZCW-UHFFFAOYSA-N 0 0 409.364 4.441 20 5 HIBDRN Cc1cc(N2CCOCC2)ccc1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444863278 869063493 /nfs/dbraw/zinc/06/34/93/869063493.db2.gz YHZWIIWYVVTUNW-UHFFFAOYSA-N 0 0 413.477 4.079 20 5 HIBDRN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444863791 869064406 /nfs/dbraw/zinc/06/44/06/869064406.db2.gz ZPKIYGYIELOSMB-SFHVURJKSA-N 0 0 414.461 4.491 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Br ZINC000444893982 869081997 /nfs/dbraw/zinc/08/19/97/869081997.db2.gz HESLYTNTKRJWOH-JTQLQIEISA-N 0 0 424.251 4.257 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000444907525 869094770 /nfs/dbraw/zinc/09/47/70/869094770.db2.gz VNNGBMMDDVECLF-KRWDZBQOSA-N 0 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C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000444985935 869144621 /nfs/dbraw/zinc/14/46/21/869144621.db2.gz IMQPKTOVUCNUGZ-LLVKDONJSA-N 0 0 403.287 4.125 20 5 HIBDRN C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1nc(Cc2ccccc2)no1 ZINC000445004952 869158601 /nfs/dbraw/zinc/15/86/01/869158601.db2.gz BHCVBBBETHDYAA-HNNXBMFYSA-N 0 0 424.460 4.146 20 5 HIBDRN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[C@@H](COCc2ccccc2)C1 ZINC000445008731 869161460 /nfs/dbraw/zinc/16/14/60/869161460.db2.gz QUDYTRJXNYAPOC-LJQANCHMSA-N 0 0 412.489 4.360 20 5 HIBDRN CCOC(=O)CCc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000445012674 869165352 /nfs/dbraw/zinc/16/53/52/869165352.db2.gz SICZGQNSJJNALQ-UHFFFAOYSA-N 0 0 414.461 4.429 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000445037747 869185677 /nfs/dbraw/zinc/18/56/77/869185677.db2.gz VCSYTXBXLIBURL-IBGZPJMESA-N 0 0 413.865 4.465 20 5 HIBDRN COc1ccccc1[C@H](CC(C)C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 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COc1ccc(F)cc1[C@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000445192231 869268753 /nfs/dbraw/zinc/26/87/53/869268753.db2.gz MJBCZSWPMFYRPW-ZETCQYMHSA-N 0 0 403.229 4.058 20 5 HIBDRN COc1ccc(CC[C@H](C)NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000445196257 869270483 /nfs/dbraw/zinc/27/04/83/869270483.db2.gz QTWMZTBURBQGAF-INIZCTEOSA-N 0 0 400.478 4.441 20 5 HIBDRN CC(C)(C)[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1F ZINC000445214092 869278732 /nfs/dbraw/zinc/27/87/32/869278732.db2.gz OXTMXUBYWPHPGD-SFHVURJKSA-N 0 0 417.416 4.336 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3nc4c(cccc4F)n3C)cc2[N+](=O)[O-])C1 ZINC000468348169 882284794 /nfs/dbraw/zinc/28/47/94/882284794.db2.gz VEEFAYFTYYOJMG-CYBMUJFWSA-N 0 0 411.437 4.109 20 5 HIBDRN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445258124 869310694 /nfs/dbraw/zinc/31/06/94/869310694.db2.gz HVOUSGASYLRFNI-UHFFFAOYSA-N 0 0 411.461 4.170 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2csc(I)c2)no1 ZINC000445300593 869353875 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/nfs/dbraw/zinc/11/47/19/870114719.db2.gz WGJTWEDKBWSGAG-LBPRGKRZSA-N 0 0 410.829 4.468 20 5 HIBDRN CCOc1cc(C(=O)N2CCOc3c2cccc3C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000446252451 870195139 /nfs/dbraw/zinc/19/51/39/870195139.db2.gz IYOCULRJGPIAAU-UHFFFAOYSA-N 0 0 414.458 4.339 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cccc(Cl)c1Br ZINC000446256411 870198164 /nfs/dbraw/zinc/19/81/64/870198164.db2.gz SVPKHGZJFLCOTF-UHFFFAOYSA-N 0 0 424.642 4.209 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCNc1cccc(Br)c1 ZINC000446275015 870210910 /nfs/dbraw/zinc/21/09/10/870210910.db2.gz FXRUKTQGJIHREK-UHFFFAOYSA-N 0 0 412.671 4.161 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000446280257 870213722 /nfs/dbraw/zinc/21/37/22/870213722.db2.gz HLSAMCYILMAOHQ-FXAWDEMLSA-N 0 0 403.429 4.135 20 5 HIBDRN CCc1noc(CC)c1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000446295532 870222481 /nfs/dbraw/zinc/22/24/81/870222481.db2.gz NZCIJFDLYWANFL-CQSZACIVSA-N 0 0 423.473 4.206 20 5 HIBDRN CC[C@H](C)[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000446295895 870222728 /nfs/dbraw/zinc/22/27/28/870222728.db2.gz DSGMQQVWIWOFHY-BLLLJJGKSA-N 0 0 403.401 4.125 20 5 HIBDRN Cc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(OCC2CC2)c1 ZINC000446294590 870223052 /nfs/dbraw/zinc/22/30/52/870223052.db2.gz AUUMFKSEBXMCSC-UHFFFAOYSA-N 0 0 419.275 4.385 20 5 HIBDRN CSCc1cc(F)ccc1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000446306570 870231793 /nfs/dbraw/zinc/23/17/93/870231793.db2.gz VVPYYVODVMVBIR-UHFFFAOYSA-N 0 0 412.870 4.336 20 5 HIBDRN CCOc1ccc(-c2nc(CC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cs2)cc1 ZINC000446423007 870335527 /nfs/dbraw/zinc/33/55/27/870335527.db2.gz BPDJZVPDRLDKGC-UHFFFAOYSA-N 0 0 423.494 4.244 20 5 HIBDRN O=C(c1cc2cc(Br)ccc2o1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446425675 870339999 /nfs/dbraw/zinc/33/99/99/870339999.db2.gz LSTYYDFGUTUELG-UHFFFAOYSA-N 0 0 401.216 4.302 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000446427201 870343052 /nfs/dbraw/zinc/34/30/52/870343052.db2.gz AYVAIYCBTALMDI-UHFFFAOYSA-N 0 0 406.394 4.197 20 5 HIBDRN COc1ccccc1C(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446428526 870345408 /nfs/dbraw/zinc/34/54/08/870345408.db2.gz VOCKAQPHQWNQRU-UHFFFAOYSA-N 0 0 406.394 4.004 20 5 HIBDRN O=C(Nc1cc2c(cc1Br)CCC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446430631 870347989 /nfs/dbraw/zinc/34/79/89/870347989.db2.gz WOEWYKGRXSUUPN-UHFFFAOYSA-N 0 0 416.275 4.436 20 5 HIBDRN O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446433643 870352151 /nfs/dbraw/zinc/35/21/51/870352151.db2.gz UKXNDHLOGILWIX-UHFFFAOYSA-N 0 0 406.394 4.084 20 5 HIBDRN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c12 ZINC000446442138 870361691 /nfs/dbraw/zinc/36/16/91/870361691.db2.gz KCIUHINHRQRTNX-UHFFFAOYSA-N 0 0 406.442 4.159 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000446489960 870402221 /nfs/dbraw/zinc/40/22/21/870402221.db2.gz GPDJZZFVLIBNCF-UHFFFAOYSA-N 0 0 408.380 4.276 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000446490192 870404594 /nfs/dbraw/zinc/40/45/94/870404594.db2.gz JJXYBRJPGYMZSG-CABCVRRESA-N 0 0 417.893 4.493 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000446490195 870404688 /nfs/dbraw/zinc/40/46/88/870404688.db2.gz JJXYBRJPGYMZSG-LSDHHAIUSA-N 0 0 417.893 4.493 20 5 HIBDRN CCO[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 ZINC000446493514 870408059 /nfs/dbraw/zinc/40/80/59/870408059.db2.gz GLLTWFFQNCBDGI-HXUWFJFHSA-N 0 0 404.441 4.328 20 5 HIBDRN COc1cccc(Oc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3C)cn2)c1 ZINC000446493982 870408811 /nfs/dbraw/zinc/40/88/11/870408811.db2.gz JKRLJCNYOPUUCI-UHFFFAOYSA-N 0 0 408.414 4.421 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000446560337 870472594 /nfs/dbraw/zinc/47/25/94/870472594.db2.gz OLHFLIPYBJRRJJ-NRFANRHFSA-N 0 0 400.500 4.027 20 5 HIBDRN O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446586305 870494896 /nfs/dbraw/zinc/49/48/96/870494896.db2.gz NPMLDVNFLGZSHC-UHFFFAOYSA-N 0 0 405.332 4.173 20 5 HIBDRN COc1cc(OCC(=O)Nc2cccnc2-c2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000446595666 870503121 /nfs/dbraw/zinc/50/31/21/870503121.db2.gz YGLGIGQODMMGEE-UHFFFAOYSA-N 0 0 419.846 4.398 20 5 HIBDRN COc1cc(C(=O)Nc2sc3c(c2C(=O)C2CC2)CCC3)c([N+](=O)[O-])cc1OC ZINC000446609590 870514081 /nfs/dbraw/zinc/51/40/81/870514081.db2.gz HRNJZBJNFBCOPS-UHFFFAOYSA-N 0 0 416.455 4.007 20 5 HIBDRN Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)cc1[N+](=O)[O-] ZINC000446639935 870549351 /nfs/dbraw/zinc/54/93/51/870549351.db2.gz URENYJNSQMYAPK-OAQYLSRUSA-N 0 0 417.465 4.091 20 5 HIBDRN O=C(NC[C@H]1CCSC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000468470609 882423489 /nfs/dbraw/zinc/42/34/89/882423489.db2.gz BUXHNLRGFZLHPY-CYBMUJFWSA-N 0 0 405.907 4.343 20 5 HIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccc(Br)c(Cl)c1 ZINC000468471843 882428739 /nfs/dbraw/zinc/42/87/39/882428739.db2.gz XZVCMMWQHWZPMK-UHFFFAOYSA-N 0 0 420.650 4.283 20 5 HIBDRN CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000446829278 870744481 /nfs/dbraw/zinc/74/44/81/870744481.db2.gz GBDYFNUYJXAILM-UHFFFAOYSA-N 0 0 402.838 4.187 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000446899997 870818761 /nfs/dbraw/zinc/81/87/61/870818761.db2.gz VVFJQVNQHABEPJ-UHFFFAOYSA-N 0 0 415.453 4.499 20 5 HIBDRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000446903814 870822636 /nfs/dbraw/zinc/82/26/36/870822636.db2.gz FBAPYEZWYOPUCC-SCLBCKFNSA-N 0 0 411.462 4.309 20 5 HIBDRN CCN(Cc1ccc2ccccc2c1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446906473 870824302 /nfs/dbraw/zinc/82/43/02/870824302.db2.gz ZREAPFIQVPIXCZ-UHFFFAOYSA-N 0 0 403.442 4.356 20 5 HIBDRN Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000446905143 870824367 /nfs/dbraw/zinc/82/43/67/870824367.db2.gz FLEGWVZWZNKGMQ-SFHVURJKSA-N 0 0 423.391 4.370 20 5 HIBDRN COc1ccccc1NC(=O)c1ccc(NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000446910253 870826884 /nfs/dbraw/zinc/82/68/84/870826884.db2.gz JMRULIAALGSIJN-UHFFFAOYSA-N 0 0 407.426 4.476 20 5 HIBDRN O=C(Nc1cccc(OCc2cscn2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446909872 870827152 /nfs/dbraw/zinc/82/71/52/870827152.db2.gz DOQVUXMLFCCCHG-UHFFFAOYSA-N 0 0 410.455 4.221 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000446914514 870831582 /nfs/dbraw/zinc/83/15/82/870831582.db2.gz MWZJMCDJUCBACR-QHCPKHFHSA-N 0 0 419.485 4.051 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000446924984 870838215 /nfs/dbraw/zinc/83/82/15/870838215.db2.gz KXMQESBCIDTVQU-HNNXBMFYSA-N 0 0 410.474 4.022 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)c(C(F)(F)F)c1 ZINC000446963668 870864349 /nfs/dbraw/zinc/86/43/49/870864349.db2.gz BGSUGISTACOJMY-UHFFFAOYSA-N 0 0 418.368 4.106 20 5 HIBDRN CCCc1c(NC(=O)CCOc2ccccc2[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC000446979701 870875162 /nfs/dbraw/zinc/87/51/62/870875162.db2.gz MXHROMQMTOUCCR-UHFFFAOYSA-N 0 0 408.458 4.449 20 5 HIBDRN CCN(Cc1ccccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447020219 870896026 /nfs/dbraw/zinc/89/60/26/870896026.db2.gz GHCCQYDQHHFXBX-UHFFFAOYSA-N 0 0 402.394 4.133 20 5 HIBDRN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447030277 870905214 /nfs/dbraw/zinc/90/52/14/870905214.db2.gz UUQVKFUDRHRICO-INIZCTEOSA-N 0 0 414.405 4.448 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC3(CCCCC3)C2)c(C(F)(F)F)c1 ZINC000447036069 870912136 /nfs/dbraw/zinc/91/21/36/870912136.db2.gz COWZMLVDKBYYGL-UHFFFAOYSA-N 0 0 424.466 4.054 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000447042591 870918867 /nfs/dbraw/zinc/91/88/67/870918867.db2.gz SZCKLYGTBPCKCF-SFHVURJKSA-N 0 0 419.840 4.374 20 5 HIBDRN Cc1nc(-c2ccc(C)c(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)c2)n[nH]1 ZINC000447051436 870929286 /nfs/dbraw/zinc/92/92/86/870929286.db2.gz UEWYBOIGQROAIF-UHFFFAOYSA-N 0 0 408.462 4.141 20 5 HIBDRN COCCCOc1cc(C)ccc1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000447057935 870938265 /nfs/dbraw/zinc/93/82/65/870938265.db2.gz HCURSEJXOBGENX-UHFFFAOYSA-N 0 0 401.463 4.257 20 5 HIBDRN CCOC(=O)c1c(C)oc2ncnc(NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c21 ZINC000447133637 871035721 /nfs/dbraw/zinc/03/57/21/871035721.db2.gz PQYPHODFQAWPFQ-UHFFFAOYSA-N 0 0 424.335 4.247 20 5 HIBDRN COC(=O)c1ccccc1N(C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000447183547 871076504 /nfs/dbraw/zinc/07/65/04/871076504.db2.gz KPXNCJRCQQDUEX-UHFFFAOYSA-N 0 0 420.421 4.237 20 5 HIBDRN COc1ccc(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] ZINC000447267930 871151909 /nfs/dbraw/zinc/15/19/09/871151909.db2.gz RWUYKNCQIKWTKP-UHFFFAOYSA-N 0 0 401.806 4.150 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2cnc3c(C)csc3c2=O)cc1OC ZINC000447297379 871197101 /nfs/dbraw/zinc/19/71/01/871197101.db2.gz VXNVPFFSHKXUHF-LBPRGKRZSA-N 0 0 417.487 4.156 20 5 HIBDRN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000447317372 871210963 /nfs/dbraw/zinc/21/09/63/871210963.db2.gz CTUVFXZINALPOJ-LLVKDONJSA-N 0 0 403.287 4.026 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000447338976 871233093 /nfs/dbraw/zinc/23/30/93/871233093.db2.gz DEDCTBFAPRDMKE-QFIPXVFZSA-N 0 0 409.417 4.060 20 5 HIBDRN CC(C)[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)NCc1cccnc1 ZINC000447346620 871248808 /nfs/dbraw/zinc/24/88/08/871248808.db2.gz GCRZJHBIZMRNJO-INIZCTEOSA-N 0 0 424.320 4.185 20 5 HIBDRN COC(=O)c1ccsc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000447374311 871279775 /nfs/dbraw/zinc/27/97/75/871279775.db2.gz OBMZJAFHZRATPG-UHFFFAOYSA-N 0 0 412.423 4.274 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000447466716 871356445 /nfs/dbraw/zinc/35/64/45/871356445.db2.gz ARHRQDJLPLQEHO-QGZVFWFLSA-N 0 0 411.439 4.138 20 5 HIBDRN Cc1c(Br)ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1F ZINC000447639688 871556287 /nfs/dbraw/zinc/55/62/87/871556287.db2.gz NBSSPSKXTYQSQE-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3cc[nH]c3c2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000447642778 871565133 /nfs/dbraw/zinc/56/51/33/871565133.db2.gz HORSALOSDZUNGO-UHFFFAOYSA-N 0 0 424.438 4.373 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@H](CCO)c1ccccc1 ZINC000447677745 871608574 /nfs/dbraw/zinc/60/85/74/871608574.db2.gz HMSBNCPSYKTAHX-LBPRGKRZSA-N 0 0 405.323 4.222 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000447681083 871614171 /nfs/dbraw/zinc/61/41/71/871614171.db2.gz VYZRWWHPGZPTIZ-CQSZACIVSA-N 0 0 421.297 4.361 20 5 HIBDRN CC(=O)N1CCc2cc(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])ccc21 ZINC000447684961 871617492 /nfs/dbraw/zinc/61/74/92/871617492.db2.gz GLQAGZLJIPMBDV-UHFFFAOYSA-N 0 0 416.306 4.297 20 5 HIBDRN CO[C@@H](C)c1nc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cs1 ZINC000447687163 871619191 /nfs/dbraw/zinc/61/91/91/871619191.db2.gz SUORUKXPIOUNGO-ZETCQYMHSA-N 0 0 412.340 4.420 20 5 HIBDRN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447689072 871621252 /nfs/dbraw/zinc/62/12/52/871621252.db2.gz JPBNANPLSJUKEV-PIGZYNQJSA-N 0 0 417.263 4.200 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCO[C@H](C2CCCCC2)C1 ZINC000447692364 871627866 /nfs/dbraw/zinc/62/78/66/871627866.db2.gz DRHFXCIJYCDAHQ-AWEZNQCLSA-N 0 0 409.355 4.429 20 5 HIBDRN CC(C)n1ncc2c1C[C@@H](Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])CC2 ZINC000447695680 871636064 /nfs/dbraw/zinc/63/60/64/871636064.db2.gz YDZDPPJVNLHNAM-NSHDSACASA-N 0 0 419.354 4.391 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000447698909 871639663 /nfs/dbraw/zinc/63/96/63/871639663.db2.gz NHVAHQMLNISRNR-UHFFFAOYSA-N 0 0 404.264 4.074 20 5 HIBDRN Cc1cc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] ZINC000447699301 871642329 /nfs/dbraw/zinc/64/23/29/871642329.db2.gz OXURJDKOFLGVJV-UHFFFAOYSA-N 0 0 418.291 4.382 20 5 HIBDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000447859666 871780564 /nfs/dbraw/zinc/78/05/64/871780564.db2.gz YFCPDRIULCLGQY-UHFFFAOYSA-N 0 0 406.402 4.070 20 5 HIBDRN O=C1[C@H](Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCCN1CC(F)(F)F ZINC000448054151 871884094 /nfs/dbraw/zinc/88/40/94/871884094.db2.gz NJXYXIBACBBFHK-QGZVFWFLSA-N 0 0 409.364 4.352 20 5 HIBDRN Cc1cc(C[C@@H](C)Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000448061787 871888706 /nfs/dbraw/zinc/88/87/06/871888706.db2.gz YCFHAOJLYCQSEB-OAHLLOKOSA-N 0 0 419.485 4.024 20 5 HIBDRN Cn1c2ccccc2n2c(SCc3ccc([N+](=O)[O-])cc3C(F)(F)F)nnc12 ZINC000448102490 871947461 /nfs/dbraw/zinc/94/74/61/871947461.db2.gz VVDCQLLZCGGYEE-UHFFFAOYSA-N 0 0 407.377 4.440 20 5 HIBDRN CCC(C)(C)c1ccc(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000448121545 871987909 /nfs/dbraw/zinc/98/79/09/871987909.db2.gz HNYAWWUBNPQACD-UHFFFAOYSA-N 0 0 424.501 4.272 20 5 HIBDRN 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Cc1cc(F)cc(-n2cc(C(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)nn2)c1 ZINC000448348990 872295748 /nfs/dbraw/zinc/29/57/48/872295748.db2.gz QEXICWGJZWNSDI-UHFFFAOYSA-N 0 0 409.421 4.212 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCCC[C@@H]3C[C@@H](C)O)cc2[N+](=O)[O-])n1 ZINC000468555574 882601292 /nfs/dbraw/zinc/60/12/92/882601292.db2.gz QPJTZIPWQJVJGM-UKRRQHHQSA-N 0 0 421.544 4.277 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000448430716 872378872 /nfs/dbraw/zinc/37/88/72/872378872.db2.gz FXUAJHMOTPYFIS-KBXCAEBGSA-N 0 0 416.474 4.479 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000448451783 872399234 /nfs/dbraw/zinc/39/92/34/872399234.db2.gz ZRSNOCKVPLDNDH-UHFFFAOYSA-N 0 0 403.316 4.381 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000468559802 882610811 /nfs/dbraw/zinc/61/08/11/882610811.db2.gz KDMZGYIJGFWMFB-CYBMUJFWSA-N 0 0 410.293 4.136 20 5 HIBDRN CC1CCC(N(C(=O)Cn2ccc([N+](=O)[O-])n2)c2cccc(N3CCCC3)c2)CC1 ZINC000460117596 872587168 /nfs/dbraw/zinc/58/71/68/872587168.db2.gz SZXCCJJPTNQHQS-UHFFFAOYSA-N 0 0 411.506 4.003 20 5 HIBDRN O=[N+]([O-])c1ccc(NCCCc2nc(-c3ccccc3Br)no2)cc1 ZINC000460143888 872650029 /nfs/dbraw/zinc/65/00/29/872650029.db2.gz RYYSCVRCYUGNGS-UHFFFAOYSA-N 0 0 403.236 4.452 20 5 HIBDRN C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460167698 872719824 /nfs/dbraw/zinc/71/98/24/872719824.db2.gz IFCBNDLAZMJOCO-BBATYDOGSA-N 0 0 421.316 4.499 20 5 HIBDRN CC1(C)CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@@H]1O ZINC000468578112 882652856 /nfs/dbraw/zinc/65/28/56/882652856.db2.gz NVFOOXIXOLIEDU-INIZCTEOSA-N 0 0 406.891 4.242 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC2(CCOCC2)c2ccccc21 ZINC000460225385 872810864 /nfs/dbraw/zinc/81/08/64/872810864.db2.gz XWAHSWAWOAPIGA-UHFFFAOYSA-N 0 0 405.458 4.073 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000460226700 872812331 /nfs/dbraw/zinc/81/23/31/872812331.db2.gz AGPRDISKRRFOAN-MGPUTAFESA-N 0 0 407.474 4.469 20 5 HIBDRN CCn1c([C@H]2Cc3ccccc3O2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000460289798 872879445 /nfs/dbraw/zinc/87/94/45/872879445.db2.gz OJHBBKSADFIIPF-HXUWFJFHSA-N 0 0 405.458 4.051 20 5 HIBDRN CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000460294627 872885617 /nfs/dbraw/zinc/88/56/17/872885617.db2.gz BCPXRMHHEGFGJE-OAHLLOKOSA-N 0 0 413.453 4.164 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)c1 ZINC000460342707 872956722 /nfs/dbraw/zinc/95/67/22/872956722.db2.gz UXBLCWKUAKWEOJ-UHFFFAOYSA-N 0 0 419.368 4.095 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cc([N+](=O)[O-])c1 ZINC000460343208 872956772 /nfs/dbraw/zinc/95/67/72/872956772.db2.gz LYUWILQKSPXAKL-UHFFFAOYSA-N 0 0 419.368 4.095 20 5 HIBDRN O=C(c1ccn(-c2cccc(Cl)c2)n1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460351468 872970454 /nfs/dbraw/zinc/97/04/54/872970454.db2.gz MERQDJAMINIUAJ-IBGZPJMESA-N 0 0 414.874 4.322 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCSc4ncccc43)cc2[N+](=O)[O-])C1 ZINC000460349814 872971545 /nfs/dbraw/zinc/97/15/45/872971545.db2.gz ITCQXYJMJGAZRK-HUUCEWRRSA-N 0 0 412.515 4.225 20 5 HIBDRN CC(=O)c1cccc(OCCCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000460359526 872987526 /nfs/dbraw/zinc/98/75/26/872987526.db2.gz BZEVGGFENBJXHR-NRFANRHFSA-N 0 0 414.483 4.231 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3ccccc3n2-c2ccccc2OC)c1 ZINC000460404081 873054966 /nfs/dbraw/zinc/05/49/66/873054966.db2.gz VCSRAUMFVCGELE-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000460414056 873070772 /nfs/dbraw/zinc/07/07/72/873070772.db2.gz WBWYDIUCMDUZQC-UHFFFAOYSA-N 0 0 410.396 4.176 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1Oc1ncccc1Br ZINC000468594713 882686913 /nfs/dbraw/zinc/68/69/13/882686913.db2.gz AIJNWBDXIGFXFW-UHFFFAOYSA-N 0 0 417.219 4.433 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000460445841 873116083 /nfs/dbraw/zinc/11/60/83/873116083.db2.gz UPGSBVAKMXSRLZ-NWDGAFQWSA-N 0 0 413.257 4.253 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@@H](C)O2 ZINC000460482442 873167499 /nfs/dbraw/zinc/16/74/99/873167499.db2.gz FBHSXPRKJKATJE-GFCCVEGCSA-N 0 0 411.439 4.155 20 5 HIBDRN Cc1ccc(CC[C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])o1 ZINC000460512299 873199767 /nfs/dbraw/zinc/19/97/67/873199767.db2.gz UGFSLPIEXCZONU-LLVKDONJSA-N 0 0 400.353 4.188 20 5 HIBDRN Cc1ccc(NCCCNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000460518298 873207320 /nfs/dbraw/zinc/20/73/20/873207320.db2.gz BUTMKIILWBOXEK-GASCZTMLSA-N 0 0 416.444 4.468 20 5 HIBDRN COc1cc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2n1 ZINC000460520033 873208761 /nfs/dbraw/zinc/20/87/61/873208761.db2.gz IIYHSOWDQLPWBS-UHFFFAOYSA-N 0 0 420.450 4.205 20 5 HIBDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000468601898 882699568 /nfs/dbraw/zinc/69/95/68/882699568.db2.gz XIUYLMJLIXNYPA-YTBHAWNYSA-N 0 0 417.531 4.328 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000460551814 873263559 /nfs/dbraw/zinc/26/35/59/873263559.db2.gz FCZRMZYBAIYFEG-INIZCTEOSA-N 0 0 409.458 4.152 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000460573723 873308636 /nfs/dbraw/zinc/30/86/36/873308636.db2.gz LWODNSTVBJQBAA-GPINWOSQSA-N 0 0 421.925 4.088 20 5 HIBDRN C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1c1ccccc1 ZINC000460657133 873399998 /nfs/dbraw/zinc/39/99/98/873399998.db2.gz RWIWHKHIUKIFEI-OXJNMPFZSA-N 0 0 404.470 4.261 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)cc1[N+](=O)[O-] ZINC000468613035 882722534 /nfs/dbraw/zinc/72/25/34/882722534.db2.gz QXZYLYIUJQTGLQ-KRWDZBQOSA-N 0 0 405.401 4.024 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1Cc2ccccc2C[C@@H]1C ZINC000460702876 873477323 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KZJZWMIKSIKAAC-OAQYLSRUSA-N 0 0 419.485 4.201 20 5 HIBDRN CC(C)[C@H]1CCCN1C(=O)c1cc(C(=O)N2CCC[C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000460999074 873879447 /nfs/dbraw/zinc/87/94/47/873879447.db2.gz IAVXMRAJVCDHGQ-WOJBJXKFSA-N 0 0 401.507 4.116 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCCC3(CCOCC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000461011560 873884603 /nfs/dbraw/zinc/88/46/03/873884603.db2.gz GSPAZZWKRFCBLH-KRWDZBQOSA-N 0 0 424.501 4.196 20 5 HIBDRN Cc1cc(C)c(Br)c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000461028305 873892956 /nfs/dbraw/zinc/89/29/56/873892956.db2.gz KZSKVOLJTBNPMP-UHFFFAOYSA-N 0 0 400.232 4.775 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)[C@@H]2CCCC[C@H]21 ZINC000461046975 873914150 /nfs/dbraw/zinc/91/41/50/873914150.db2.gz DYGQPISZNULAAT-XFWGSAIBSA-N 0 0 411.506 4.047 20 5 HIBDRN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1)[C@H]1CCc2ccccc21 ZINC000461067514 873952654 /nfs/dbraw/zinc/95/26/54/873952654.db2.gz PFDWYIGWEOTVMY-FPOVZHCZSA-N 0 0 419.485 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VLUJTEVOBMXBOZ-UHFFFAOYSA-N 0 0 419.363 4.250 20 5 HIBDRN CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000468939268 883005075 /nfs/dbraw/zinc/00/50/75/883005075.db2.gz JEIMECWIWLNSPL-UHFFFAOYSA-N 0 0 400.456 4.086 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463151451 876204426 /nfs/dbraw/zinc/20/44/26/876204426.db2.gz ORNGWYPDYKMNAO-CQSZACIVSA-N 0 0 410.499 4.340 20 5 HIBDRN Cc1c(CC(=O)Nc2n[nH]c(-c3cc(Cl)ccc3Cl)n2)cccc1[N+](=O)[O-] ZINC000463161079 876215192 /nfs/dbraw/zinc/21/51/92/876215192.db2.gz HEIKSAJVVIGDIR-UHFFFAOYSA-N 0 0 406.229 4.176 20 5 HIBDRN COc1cccc(-c2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)c1[N+](=O)[O-] ZINC000463187098 876244587 /nfs/dbraw/zinc/24/45/87/876244587.db2.gz YMFURQHUXUCKCT-UHFFFAOYSA-N 0 0 420.410 4.320 20 5 HIBDRN O=C(NCc1ccccc1OCC(F)(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463190611 876249736 /nfs/dbraw/zinc/24/97/36/876249736.db2.gz JLFGZIRORDSJEP-UHFFFAOYSA-N 0 0 422.281 4.485 20 5 HIBDRN 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ANJZMWMZJMANFA-LSDHHAIUSA-N 0 0 416.359 4.248 20 5 HIBDRN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1C ZINC000463666067 876788014 /nfs/dbraw/zinc/78/80/14/876788014.db2.gz PPOMFFQIWNNTAL-GOSISDBHSA-N 0 0 411.483 4.286 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(-c3cccnc3)c2)cc1SC ZINC000463666219 876788089 /nfs/dbraw/zinc/78/80/89/876788089.db2.gz CYOQTHKAYHMIES-UHFFFAOYSA-N 0 0 409.467 4.317 20 5 HIBDRN CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000463706611 876825377 /nfs/dbraw/zinc/82/53/77/876825377.db2.gz IRORSFASNBCPPK-INIZCTEOSA-N 0 0 407.392 4.355 20 5 HIBDRN CNC(=O)c1ccc(NCc2ccc(OCc3ccccc3F)cc2)c([N+](=O)[O-])c1 ZINC000463732697 876854214 /nfs/dbraw/zinc/85/42/14/876854214.db2.gz AKGPNLZEJKWGED-UHFFFAOYSA-N 0 0 409.417 4.285 20 5 HIBDRN O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000463766887 876888838 /nfs/dbraw/zinc/88/88/38/876888838.db2.gz KGIYHOJCSBIEJB-UHFFFAOYSA-N 0 0 422.466 4.248 20 5 HIBDRN C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000463770791 876893178 /nfs/dbraw/zinc/89/31/78/876893178.db2.gz NADRBVFZKNSPFK-QGZVFWFLSA-N 0 0 412.204 4.008 20 5 HIBDRN O=C(COc1c(F)cccc1[N+](=O)[O-])N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000463784523 876903320 /nfs/dbraw/zinc/90/33/20/876903320.db2.gz BZQUWOULMUTSCP-IBGZPJMESA-N 0 0 406.413 4.287 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000463828096 876945119 /nfs/dbraw/zinc/94/51/19/876945119.db2.gz ZXBWCEANTLDWRI-UHFFFAOYSA-N 0 0 417.771 4.264 20 5 HIBDRN CN(CC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000463830294 876946590 /nfs/dbraw/zinc/94/65/90/876946590.db2.gz ISDCKUZRGQZGDD-UHFFFAOYSA-N 0 0 401.426 4.213 20 5 HIBDRN COc1ccc(-c2ncc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)s2)cc1OC ZINC000469014689 883083050 /nfs/dbraw/zinc/08/30/50/883083050.db2.gz PURFGLBSKWLOBB-LBPRGKRZSA-N 0 0 413.455 4.227 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000463930675 877051016 /nfs/dbraw/zinc/05/10/16/877051016.db2.gz MOTBTAXSKCNOHJ-MRXNPFEDSA-N 0 0 415.465 4.168 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccc(Cl)c(F)c1 ZINC000463953681 877075063 /nfs/dbraw/zinc/07/50/63/877075063.db2.gz WBRCBGQVQGYDLX-INIZCTEOSA-N 0 0 423.828 4.430 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000463954045 877076919 /nfs/dbraw/zinc/07/69/19/877076919.db2.gz XSMPJNSMQHQATC-UHFFFAOYSA-N 0 0 424.288 4.268 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000463955437 877078458 /nfs/dbraw/zinc/07/84/58/877078458.db2.gz OIIPJVLQIPFACB-ZDUSSCGKSA-N 0 0 411.384 4.296 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000463958376 877082071 /nfs/dbraw/zinc/08/20/71/877082071.db2.gz OMQYYGPSRKNGML-UHFFFAOYSA-N 0 0 411.245 4.279 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000464004926 877138840 /nfs/dbraw/zinc/13/88/40/877138840.db2.gz JTZXOPLMPVKIPS-UHFFFAOYSA-N 0 0 412.877 4.495 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000464019887 877153229 /nfs/dbraw/zinc/15/32/29/877153229.db2.gz LFGJOTKKEXHCJE-GTNSWQLSSA-N 0 0 412.339 4.355 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000464025595 877161002 /nfs/dbraw/zinc/16/10/02/877161002.db2.gz QCIBKBFDGPZVAD-NRFANRHFSA-N 0 0 421.428 4.195 20 5 HIBDRN Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000464038543 877176943 /nfs/dbraw/zinc/17/69/43/877176943.db2.gz BDBNWLSSVDEAAR-IFMALSPDSA-N 0 0 404.470 4.497 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000464052724 877194123 /nfs/dbraw/zinc/19/41/23/877194123.db2.gz YLWPCLJDBFVVEJ-GOSISDBHSA-N 0 0 419.428 4.332 20 5 HIBDRN CN(CC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000464063075 877206939 /nfs/dbraw/zinc/20/69/39/877206939.db2.gz UVIIUJXMYKCDIY-MRXNPFEDSA-N 0 0 401.772 4.104 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1 ZINC000464098835 877255257 /nfs/dbraw/zinc/25/52/57/877255257.db2.gz WCAVJMADMRODCS-UHFFFAOYSA-N 0 0 411.487 4.049 20 5 HIBDRN CSc1cccc([C@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])c2cc(F)ccc2F)c1 ZINC000464111718 877266123 /nfs/dbraw/zinc/26/61/23/877266123.db2.gz YABHNWCOGWQQBJ-INIZCTEOSA-N 0 0 418.425 4.146 20 5 HIBDRN COC(=O)COc1ccc([C@H](C)NC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000469045721 883116422 /nfs/dbraw/zinc/11/64/22/883116422.db2.gz PXIWIACZJWSSSJ-INIZCTEOSA-N 0 0 414.461 4.431 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000464177493 877346830 /nfs/dbraw/zinc/34/68/30/877346830.db2.gz BCAQSCHDOCMMKL-ZDUSSCGKSA-N 0 0 408.376 4.472 20 5 HIBDRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000464184874 877354836 /nfs/dbraw/zinc/35/48/36/877354836.db2.gz VFHMJKGRUYYGBO-CYBMUJFWSA-N 0 0 419.275 4.216 20 5 HIBDRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000464201954 877372808 /nfs/dbraw/zinc/37/28/08/877372808.db2.gz VZZLGDIZSVGWKC-XHDPSFHLSA-N 0 0 416.259 4.240 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2/C=C\c2ccccc2)c2ncccc12 ZINC000464210624 877379611 /nfs/dbraw/zinc/37/96/11/877379611.db2.gz GQXMENLLHXATNS-MQNTZWLQSA-N 0 0 409.467 4.010 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cn(C(C)(C)C)nc2C)cc1SC ZINC000464232606 877408714 /nfs/dbraw/zinc/40/87/14/877408714.db2.gz MCLDBEIKSNBXSW-LLVKDONJSA-N 0 0 406.508 4.076 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000464235727 877411678 /nfs/dbraw/zinc/41/16/78/877411678.db2.gz MCRFGGVDPLFYIW-GFCCVEGCSA-N 0 0 415.243 4.007 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000464244934 877422736 /nfs/dbraw/zinc/42/27/36/877422736.db2.gz GXESZLSGUWLSQV-JTQLQIEISA-N 0 0 401.216 4.078 20 5 HIBDRN CN(C(=O)c1cnnc(-c2ccccc2)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000464282531 877470793 /nfs/dbraw/zinc/47/07/93/877470793.db2.gz LJBJSWPVKUETAH-UHFFFAOYSA-N 0 0 417.450 4.452 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000464332079 877523677 /nfs/dbraw/zinc/52/36/77/877523677.db2.gz GLZLHJRLDWTCJS-QGZVFWFLSA-N 0 0 411.527 4.449 20 5 HIBDRN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2ncccc12 ZINC000464344652 877535557 /nfs/dbraw/zinc/53/55/57/877535557.db2.gz VOBCTTLQYXJPOC-UHFFFAOYSA-N 0 0 403.341 4.395 20 5 HIBDRN O=C([C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464350250 877542583 /nfs/dbraw/zinc/54/25/83/877542583.db2.gz FXTIUWRKMZGJNS-IRXDYDNUSA-N 0 0 420.387 4.186 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)c1ccc(Nc3ccccc3)c([N+](=O)[O-])c1)CCO2 ZINC000464362924 877560715 /nfs/dbraw/zinc/56/07/15/877560715.db2.gz JYPWWNZQSFCZRF-UHFFFAOYSA-N 0 0 405.410 4.386 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000464396438 877596731 /nfs/dbraw/zinc/59/67/31/877596731.db2.gz DUBRLIVUHGCBQD-IQUTYRLHSA-N 0 0 408.401 4.390 20 5 HIBDRN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000464411759 877616820 /nfs/dbraw/zinc/61/68/20/877616820.db2.gz OAUBQUMDYQRDGT-OAHLLOKOSA-N 0 0 403.485 4.039 20 5 HIBDRN CN([C@@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000464423897 877634752 /nfs/dbraw/zinc/63/47/52/877634752.db2.gz DRCJIPXXCIAHMS-LBPRGKRZSA-N 0 0 414.814 4.234 20 5 HIBDRN COC(=O)C(C)(C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000464556846 877775197 /nfs/dbraw/zinc/77/51/97/877775197.db2.gz XLAXZJWPHMUTPU-UHFFFAOYSA-N 0 0 408.863 4.081 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3cc(Br)ccc3[nH]2)c1 ZINC000464582652 877805910 /nfs/dbraw/zinc/80/59/10/877805910.db2.gz WSVBKKZRVUXCCE-UHFFFAOYSA-N 0 0 407.249 4.208 20 5 HIBDRN COc1cc(CN2C[C@@H]3CCC(=O)c4cccc2c43)c([N+](=O)[O-])cc1OCC(F)F ZINC000464619704 877840838 /nfs/dbraw/zinc/84/08/38/877840838.db2.gz OUUSXUJHKAITIC-LBPRGKRZSA-N 0 0 418.396 4.328 20 5 HIBDRN Cc1ccc(SCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464637164 877854108 /nfs/dbraw/zinc/85/41/08/877854108.db2.gz IEORKZDMHMRNOS-UHFFFAOYSA-N 0 0 400.500 4.455 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464637564 877855283 /nfs/dbraw/zinc/85/52/83/877855283.db2.gz ODAXIBNKZBBJHB-PKOBYXMFSA-N 0 0 402.397 4.047 20 5 HIBDRN Cc1ccc(C)c(C(=O)CCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464639768 877856360 /nfs/dbraw/zinc/85/63/60/877856360.db2.gz PQTPWANQQADMLX-UHFFFAOYSA-N 0 0 410.470 4.245 20 5 HIBDRN C[C@H](CSc1ccccc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464646816 877866119 /nfs/dbraw/zinc/86/61/19/877866119.db2.gz ZNCDJFPLBAQCMH-MRXNPFEDSA-N 0 0 400.500 4.393 20 5 HIBDRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000464648958 877869098 /nfs/dbraw/zinc/86/90/98/877869098.db2.gz HJOXPPQNNHUPDN-IBGZPJMESA-N 0 0 407.470 4.248 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000464650803 877871062 /nfs/dbraw/zinc/87/10/62/877871062.db2.gz ULYFXTSHEJNLJS-UHFFFAOYSA-N 0 0 405.867 4.435 20 5 HIBDRN O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000464657602 877879179 /nfs/dbraw/zinc/87/91/79/877879179.db2.gz ADCNJEMJRLIVTH-UHFFFAOYSA-N 0 0 400.862 4.350 20 5 HIBDRN O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464662915 877883755 /nfs/dbraw/zinc/88/37/55/877883755.db2.gz NCXRLSFVOHEUIV-UHFFFAOYSA-N 0 0 408.376 4.226 20 5 HIBDRN Cc1cc(C(F)(F)F)ncc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000464663685 877884621 /nfs/dbraw/zinc/88/46/21/877884621.db2.gz XAOPLJJQJDUCSF-UHFFFAOYSA-N 0 0 408.380 4.172 20 5 HIBDRN CC(C)Oc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000464668550 877888883 /nfs/dbraw/zinc/88/88/83/877888883.db2.gz LYXFREMWXKJNLF-UHFFFAOYSA-N 0 0 419.865 4.124 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(C(F)(F)F)cc1C ZINC000464671088 877890399 /nfs/dbraw/zinc/89/03/99/877890399.db2.gz OHNUIWXMCXGJOJ-UHFFFAOYSA-N 0 0 415.393 4.308 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C ZINC000503303057 912286613 /nfs/dbraw/zinc/28/66/13/912286613.db2.gz MPOOHTHOGOQFFK-GOSISDBHSA-N 0 0 403.866 4.351 20 5 HIBDRN CCN(C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000464683897 877899815 /nfs/dbraw/zinc/89/98/15/877899815.db2.gz YQNDJONTWULZDE-ZHALLVOQSA-N 0 0 417.550 4.497 20 5 HIBDRN O=c1c(Cl)c(N2CCC[C@@H]2/C=C\c2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000503304846 912287796 /nfs/dbraw/zinc/28/77/96/912287796.db2.gz RBWQLTNMPGMSNC-XZVRFQMRSA-N 0 0 422.872 4.476 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCOC[C@@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000464702368 877921427 /nfs/dbraw/zinc/92/14/27/877921427.db2.gz HXGOJSWQDZNDIN-PMAPCBKXSA-N 0 0 423.513 4.291 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000464711951 877936837 /nfs/dbraw/zinc/93/68/37/877936837.db2.gz NXKOZLCEMFBUPB-GFCCVEGCSA-N 0 0 408.380 4.018 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000464719776 877947472 /nfs/dbraw/zinc/94/74/72/877947472.db2.gz MGAQOWGUFUUIHI-KRWDZBQOSA-N 0 0 411.487 4.078 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2nc(C)cc(C)n2)nc1C(C)C ZINC000464720535 877947628 /nfs/dbraw/zinc/94/76/28/877947628.db2.gz QCTDUECEGYZFTP-UHFFFAOYSA-N 0 0 408.462 4.125 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000464721422 877949181 /nfs/dbraw/zinc/94/91/81/877949181.db2.gz XBCHVGXSIJLSSW-UHFFFAOYSA-N 0 0 403.236 4.128 20 5 HIBDRN COc1cc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000464722323 877951713 /nfs/dbraw/zinc/95/17/13/877951713.db2.gz DQZNZPUJEKXURO-UHFFFAOYSA-N 0 0 424.310 4.199 20 5 HIBDRN COCC[C@@H](COC)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000464723182 877953878 /nfs/dbraw/zinc/95/38/78/877953878.db2.gz LPEDHMAXCXOYCD-AWEZNQCLSA-N 0 0 424.906 4.181 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1 ZINC000464722957 877954171 /nfs/dbraw/zinc/95/41/71/877954171.db2.gz KEJKICGMHCUNCO-UHFFFAOYSA-N 0 0 424.310 4.199 20 5 HIBDRN CC(C)c1nc(C2(NCCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCCC2)no1 ZINC000464740577 877976089 /nfs/dbraw/zinc/97/60/89/877976089.db2.gz YMSZFIGJRSAJII-UHFFFAOYSA-N 0 0 411.462 4.358 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464771257 878015349 /nfs/dbraw/zinc/01/53/49/878015349.db2.gz CMRNPCZYUPTVOH-ZDUSSCGKSA-N 0 0 421.856 4.258 20 5 HIBDRN C[C@@H](c1nc(-c2cccs2)no1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464781415 878027726 /nfs/dbraw/zinc/02/77/26/878027726.db2.gz ZFTRWGTVXJIHQD-ZDUSSCGKSA-N 0 0 400.460 4.311 20 5 HIBDRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782968 878030657 /nfs/dbraw/zinc/03/06/57/878030657.db2.gz DDSBYRLBTJIEBP-HNNXBMFYSA-N 0 0 417.893 4.427 20 5 HIBDRN O=C([C@H](c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000464785339 878031353 /nfs/dbraw/zinc/03/13/53/878031353.db2.gz NXUNAQCXOHTPSH-QHCPKHFHSA-N 0 0 423.513 4.192 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCCC2 ZINC000464877515 878168717 /nfs/dbraw/zinc/16/87/17/878168717.db2.gz QRIRZBCFKISQGK-IAGOWNOFSA-N 0 0 401.488 4.186 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C12CCCC2 ZINC000464878857 878171411 /nfs/dbraw/zinc/17/14/11/878171411.db2.gz ZKFIGXNEBAELMW-DLBZAZTESA-N 0 0 401.488 4.186 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Oc3ccccn3)c2)cc1OC ZINC000464894092 878195927 /nfs/dbraw/zinc/19/59/27/878195927.db2.gz NOENQTTWCKUOIC-UHFFFAOYSA-N 0 0 409.398 4.442 20 5 HIBDRN COc1ccc(CNC(=O)C(C)(C)c2ccc(OCC(C)C)cc2)cc1[N+](=O)[O-] ZINC000503345324 912321270 /nfs/dbraw/zinc/32/12/70/912321270.db2.gz NPZNQAPDPBGDMY-UHFFFAOYSA-N 0 0 400.475 4.232 20 5 HIBDRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000464907412 878222194 /nfs/dbraw/zinc/22/21/94/878222194.db2.gz FUYJJNXTTYNRCU-CYBMUJFWSA-N 0 0 424.457 4.442 20 5 HIBDRN COc1cc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000464963534 878304070 /nfs/dbraw/zinc/30/40/70/878304070.db2.gz VKQONODITSURHO-SECBINFHSA-N 0 0 416.327 4.017 20 5 HIBDRN Cc1ccc(OC(F)F)c(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000465001618 878355864 /nfs/dbraw/zinc/35/58/64/878355864.db2.gz PFGKYAQMEKVFCH-UHFFFAOYSA-N 0 0 405.401 4.035 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000465026413 878389581 /nfs/dbraw/zinc/38/95/81/878389581.db2.gz BSDYHOXUQSBHSX-QFIPXVFZSA-N 0 0 414.433 4.095 20 5 HIBDRN CCCCCN(Cc1ccc(F)cc1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465029569 878394007 /nfs/dbraw/zinc/39/40/07/878394007.db2.gz FEHZWHBPVWSNLB-UHFFFAOYSA-N 0 0 416.449 4.267 20 5 HIBDRN Cn1ccnc1COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000465062217 878423855 /nfs/dbraw/zinc/42/38/55/878423855.db2.gz VNCUVUOUNQVMBR-UHFFFAOYSA-N 0 0 401.810 4.205 20 5 HIBDRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2NC1=O ZINC000465068714 878428752 /nfs/dbraw/zinc/42/87/52/878428752.db2.gz STVAYLPWDNUGCL-QLJPJBMISA-N 0 0 418.837 4.240 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[C@@]2(CCOC2)C1 ZINC000465090141 878454846 /nfs/dbraw/zinc/45/48/46/878454846.db2.gz AAGSNUJMRQLLAI-HXUWFJFHSA-N 0 0 402.834 4.293 20 5 HIBDRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000465155102 878536152 /nfs/dbraw/zinc/53/61/52/878536152.db2.gz IGZMFYVHQQPSRR-OALUTQOASA-N 0 0 410.470 4.012 20 5 HIBDRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465161246 878542129 /nfs/dbraw/zinc/54/21/29/878542129.db2.gz AGFOUCAWIDFGFU-RBUKOAKNSA-N 0 0 410.470 4.093 20 5 HIBDRN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465161247 878543876 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ZINC000465887408 879541456 /nfs/dbraw/zinc/54/14/56/879541456.db2.gz LAWBKCYCWNCJCA-FCHUYYIVSA-N 0 0 409.486 4.484 20 5 HIBDRN CN(C)c1cc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000465976460 879647057 /nfs/dbraw/zinc/64/70/57/879647057.db2.gz CAARWHXAYSBOFT-UHFFFAOYSA-N 0 0 421.501 4.031 20 5 HIBDRN CCOc1cc(NC(=O)NC[C@H](C)Cc2cccs2)c([N+](=O)[O-])cc1OCC ZINC000466131445 879843041 /nfs/dbraw/zinc/84/30/41/879843041.db2.gz KCFFQZOSKHDYPB-CYBMUJFWSA-N 0 0 407.492 4.454 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000466144372 879853271 /nfs/dbraw/zinc/85/32/71/879853271.db2.gz LSGWYOOLTRTIGQ-UHFFFAOYSA-N 0 0 410.474 4.022 20 5 HIBDRN C[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Cc1cccs1 ZINC000466150413 879857528 /nfs/dbraw/zinc/85/75/28/879857528.db2.gz VCRRLQQLCVRUFB-OAHLLOKOSA-N 0 0 403.504 4.088 20 5 HIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000466153090 879857896 /nfs/dbraw/zinc/85/78/96/879857896.db2.gz 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C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(-n2cccn2)c1 ZINC000466694682 880487136 /nfs/dbraw/zinc/48/71/36/880487136.db2.gz GFKPYWVXLQEGRW-GFCCVEGCSA-N 0 0 417.372 4.265 20 5 HIBDRN Cc1ccc(-n2cc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cn2)c(C)c1 ZINC000466733802 880517784 /nfs/dbraw/zinc/51/77/84/880517784.db2.gz WWZVWMJEUYXFLN-AWEZNQCLSA-N 0 0 413.865 4.490 20 5 HIBDRN COc1cc(CNc2ccc(CN(C)C)c(Br)c2)c([N+](=O)[O-])cc1OC ZINC000466740960 880523748 /nfs/dbraw/zinc/52/37/48/880523748.db2.gz JUKGQDHCXYXDBE-UHFFFAOYSA-N 0 0 424.295 4.048 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000466743037 880525764 /nfs/dbraw/zinc/52/57/64/880525764.db2.gz ITJSELDZWJKCAF-LBPRGKRZSA-N 0 0 420.874 4.035 20 5 HIBDRN COc1cc(C(=O)N2CCc3ccccc3[C@@]2(C)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000466785119 880564906 /nfs/dbraw/zinc/56/49/06/880564906.db2.gz AINZGRAHCDKSLD-IBGZPJMESA-N 0 0 424.375 4.088 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC(c2cccc(Br)c2)CC1 ZINC000466787190 880566180 /nfs/dbraw/zinc/56/61/80/880566180.db2.gz GDDHADXODNDEDX-UHFFFAOYSA-N 0 0 419.275 4.142 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000466796448 880574840 /nfs/dbraw/zinc/57/48/40/880574840.db2.gz SIFBKBPUCKSLBJ-UHFFFAOYSA-N 0 0 400.822 4.150 20 5 HIBDRN COC[C@H]1CCCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000466845523 880614747 /nfs/dbraw/zinc/61/47/47/880614747.db2.gz ZHRDXXMNZCWWNO-IRXDYDNUSA-N 0 0 412.490 4.052 20 5 HIBDRN COCc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000466846560 880616206 /nfs/dbraw/zinc/61/62/06/880616206.db2.gz PITWZGUFWRWBPS-CQSZACIVSA-N 0 0 409.236 4.074 20 5 HIBDRN O=C(Nc1cc(I)ccc1Cl)c1csc([N+](=O)[O-])c1 ZINC000466847820 880617361 /nfs/dbraw/zinc/61/73/61/880617361.db2.gz UWPZAIOLEFFIPG-UHFFFAOYSA-N 0 0 408.604 4.167 20 5 HIBDRN C[C@]1(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000466856448 880625833 /nfs/dbraw/zinc/62/58/33/880625833.db2.gz XVXBNIKJXUTBES-JTHBVZDNSA-N 0 0 409.486 4.142 20 5 HIBDRN COc1cc(C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000466863419 880631390 /nfs/dbraw/zinc/63/13/90/880631390.db2.gz GMNFDNVXADBKEJ-UHFFFAOYSA-N 0 0 422.840 4.366 20 5 HIBDRN C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000466899821 880666076 /nfs/dbraw/zinc/66/60/76/880666076.db2.gz NBBAKNPJYJQVSO-FUHWJXTLSA-N 0 0 423.469 4.078 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3ncc(Cl)cc3Cl)co2)cc1 ZINC000466998018 880807724 /nfs/dbraw/zinc/80/77/24/880807724.db2.gz MINDATDRLQOBOI-SANMLTNESA-N 0 0 412.254 4.401 20 5 HIBDRN Cc1sc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000467054962 880844183 /nfs/dbraw/zinc/84/41/83/880844183.db2.gz YTKIEBCJFHKGJE-VIFPVBQESA-N 0 0 419.322 4.109 20 5 HIBDRN Cc1sc(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000467078753 880853234 /nfs/dbraw/zinc/85/32/34/880853234.db2.gz KEDVZMYNMNNMQU-LBPRGKRZSA-N 0 0 403.485 4.066 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCCC[C@H](COC)C2)c([N+](=O)[O-])cc1OCCC ZINC000467105259 880865313 /nfs/dbraw/zinc/86/53/13/880865313.db2.gz ZQYINSPRHUOLQC-INIZCTEOSA-N 0 0 423.510 4.453 20 5 HIBDRN O=C(NCC1(c2cccc(Br)c2)CCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467108054 880867662 /nfs/dbraw/zinc/86/76/62/880867662.db2.gz XWXQMKPIGANNOE-UHFFFAOYSA-N 0 0 407.239 4.348 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000467225841 880954276 /nfs/dbraw/zinc/95/42/76/880954276.db2.gz AHXSZMDPPDRPJT-LJQANCHMSA-N 0 0 414.824 4.371 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000467256949 880991440 /nfs/dbraw/zinc/99/14/40/880991440.db2.gz YPMRGARQWDFZTR-LBPRGKRZSA-N 0 0 409.514 4.100 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000467328283 881076221 /nfs/dbraw/zinc/07/62/21/881076221.db2.gz URPXEEIDLPECTN-UHFFFAOYSA-N 0 0 413.821 4.497 20 5 HIBDRN CC(C)CCOc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000467388933 881171547 /nfs/dbraw/zinc/17/15/47/881171547.db2.gz IVYKAFUFUJOVIZ-UHFFFAOYSA-N 0 0 412.490 4.374 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000503572815 912654405 /nfs/dbraw/zinc/65/44/05/912654405.db2.gz HZPRDKVMYKSJDE-CQSZACIVSA-N 0 0 411.487 4.169 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2c(Br)cccc2C1 ZINC000503577204 912659038 /nfs/dbraw/zinc/65/90/38/912659038.db2.gz VODPNDXWNNPSHS-UHFFFAOYSA-N 0 0 418.291 4.053 20 5 HIBDRN CCOC(=O)C[C@@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467517983 881333859 /nfs/dbraw/zinc/33/38/59/881333859.db2.gz BHTSQJCOSOJARC-GFCCVEGCSA-N 0 0 422.890 4.471 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000469160438 883256743 /nfs/dbraw/zinc/25/67/43/883256743.db2.gz VMAULRIDYBQOMH-SFHVURJKSA-N 0 0 410.518 4.103 20 5 HIBDRN COc1cc(S(=O)(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000469198922 883299228 /nfs/dbraw/zinc/29/92/28/883299228.db2.gz TTXVAUJKJLKURN-NSHDSACASA-N 0 0 418.393 4.004 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000469225233 883325279 /nfs/dbraw/zinc/32/52/79/883325279.db2.gz YTHHSFWCSHQGTE-INIZCTEOSA-N 0 0 422.510 4.365 20 5 HIBDRN Cc1csc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1I ZINC000469309922 883410614 /nfs/dbraw/zinc/41/06/14/883410614.db2.gz HQOZOGXFTJVHMW-SECBINFHSA-N 0 0 416.240 4.060 20 5 HIBDRN COc1ccc(CNC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000469394375 883552309 /nfs/dbraw/zinc/55/23/09/883552309.db2.gz YUBLOSLNDIKAHU-UHFFFAOYSA-N 0 0 417.412 4.271 20 5 HIBDRN CCCCN(Cc1ccccc1Cl)C(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000469416533 883592431 /nfs/dbraw/zinc/59/24/31/883592431.db2.gz RKPWZYJTSUVDIR-QGZVFWFLSA-N 0 0 421.929 4.310 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CC[C@H](Oc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000469424944 883605411 /nfs/dbraw/zinc/60/54/11/883605411.db2.gz USKAZHIUXJYLGF-SFHVURJKSA-N 0 0 415.515 4.422 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)c([N+](=O)[O-])cc1OC(F)F ZINC000469441001 883633608 /nfs/dbraw/zinc/63/36/08/883633608.db2.gz PDMCTNPPJUEAKC-UHFFFAOYSA-N 0 0 408.357 4.171 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)C2 ZINC000469455692 883663152 /nfs/dbraw/zinc/66/31/52/883663152.db2.gz XTNWLIFZUKUKOF-JOCHJYFZSA-N 0 0 418.449 4.308 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CC)c(C(=O)OC)s1 ZINC000503636567 912740629 /nfs/dbraw/zinc/74/06/29/912740629.db2.gz IOAXWOOARPFFCU-UHFFFAOYSA-N 0 0 409.489 4.155 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cnn(-c2cccnc2)c1 ZINC000469488537 883724746 /nfs/dbraw/zinc/72/47/46/883724746.db2.gz UEGQPCRKHVEAIK-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN CC(C)[C@H]1CCC[C@H](NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000469499609 883743198 /nfs/dbraw/zinc/74/31/98/883743198.db2.gz MJGQSTUCTLISRI-HOTGVXAUSA-N 0 0 403.479 4.004 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(Sc2ccccc2Cl)nn1 ZINC000469581568 883822199 /nfs/dbraw/zinc/82/21/99/883822199.db2.gz YGLDCTJUJBGHIF-UHFFFAOYSA-N 0 0 414.874 4.162 20 5 HIBDRN C[C@H](CCC1CC1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000469702002 883879254 /nfs/dbraw/zinc/87/92/54/883879254.db2.gz PLMGXILSSDYZMD-GFCCVEGCSA-N 0 0 419.528 4.441 20 5 HIBDRN C[C@@H](CCC1CC1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000469702003 883879420 /nfs/dbraw/zinc/87/94/20/883879420.db2.gz PLMGXILSSDYZMD-LBPRGKRZSA-N 0 0 419.528 4.441 20 5 HIBDRN C[C@H](c1ccccc1Br)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000503670905 912778678 /nfs/dbraw/zinc/77/86/78/912778678.db2.gz MALGYMLGKXAITC-SNVBAGLBSA-N 0 0 403.236 4.067 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000503680554 912786610 /nfs/dbraw/zinc/78/66/10/912786610.db2.gz NTCIKIKOSPBCEM-AWEZNQCLSA-N 0 0 410.561 4.272 20 5 HIBDRN COC(=O)c1cc(C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000469997600 884214472 /nfs/dbraw/zinc/21/44/72/884214472.db2.gz AXVKEAZZYFDPGR-GFCCVEGCSA-N 0 0 424.375 4.324 20 5 HIBDRN C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(-c2ccncc2)cc1 ZINC000470008519 884224812 /nfs/dbraw/zinc/22/48/12/884224812.db2.gz LSOBBYKRDDYGJE-INIZCTEOSA-N 0 0 400.438 4.489 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000470052382 884300984 /nfs/dbraw/zinc/30/09/84/884300984.db2.gz ZVZCVPPXNMGRLF-FCHUYYIVSA-N 0 0 411.502 4.445 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000503736675 912812651 /nfs/dbraw/zinc/81/26/51/912812651.db2.gz FKPQLCKKPNROOG-UHFFFAOYSA-N 0 0 415.837 4.052 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1-n1cccn1 ZINC000470107232 884364593 /nfs/dbraw/zinc/36/45/93/884364593.db2.gz YHHOSQXOLQYYOJ-GFCCVEGCSA-N 0 0 415.247 4.034 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)cccc1[N+](=O)[O-] ZINC000503757544 912816661 /nfs/dbraw/zinc/81/66/61/912816661.db2.gz KYLCOWYSXODCRJ-ZDUSSCGKSA-N 0 0 410.199 4.060 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)c(C)c([N+](=O)[O-])c1 ZINC000470112202 884372278 /nfs/dbraw/zinc/37/22/78/884372278.db2.gz CQCZGBQLFQQXEP-MRXNPFEDSA-N 0 0 411.458 4.328 20 5 HIBDRN O=C(NCc1cccc(COCC(F)(F)F)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470140784 884406225 /nfs/dbraw/zinc/40/62/25/884406225.db2.gz LTVAGZJYGDWWPI-UHFFFAOYSA-N 0 0 401.316 4.135 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000470140147 884406288 /nfs/dbraw/zinc/40/62/88/884406288.db2.gz CYUTVOYHWVXJIN-HXUWFJFHSA-N 0 0 422.416 4.105 20 5 HIBDRN C[C@H](Cc1ccccc1Br)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000470163480 884440346 /nfs/dbraw/zinc/44/03/46/884440346.db2.gz MMXWYLQGQRMHOQ-GFCCVEGCSA-N 0 0 409.305 4.197 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCc2c(ncn2CCc2ccccc2)C1 ZINC000470209423 884526339 /nfs/dbraw/zinc/52/63/39/884526339.db2.gz INQKJGPVIRYAJF-RGEXLXHISA-N 0 0 402.498 4.496 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000470250535 884585056 /nfs/dbraw/zinc/58/50/56/884585056.db2.gz MRTNYEMKHYLRPA-BEVDRBHNSA-N 0 0 400.500 4.420 20 5 HIBDRN CC(C)(C)[C@H]1CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000470303361 884679602 /nfs/dbraw/zinc/67/96/02/884679602.db2.gz QHCZHHVTAGOCLB-INIZCTEOSA-N 0 0 421.453 4.038 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1OC ZINC000512374027 921113785 /nfs/dbraw/zinc/11/37/85/921113785.db2.gz RRNSLXCPJNWZOS-UHFFFAOYSA-N 0 0 423.425 4.228 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000470345873 884735545 /nfs/dbraw/zinc/73/55/45/884735545.db2.gz OWBHIPBIDORKCE-JTQLQIEISA-N 0 0 411.202 4.265 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H](C)c2ccc(Br)cc2OC)cc1[N+](=O)[O-] ZINC000470420814 884822898 /nfs/dbraw/zinc/82/28/98/884822898.db2.gz ZGVWWFSKNXRRDJ-JTQLQIEISA-N 0 0 424.251 4.257 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000470421072 884824049 /nfs/dbraw/zinc/82/40/49/884824049.db2.gz ZZSZYLKGRZUSCQ-NSHDSACASA-N 0 0 409.826 4.315 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000470443799 884841638 /nfs/dbraw/zinc/84/16/38/884841638.db2.gz BPWRMPCUDPOYMF-UHFFFAOYSA-N 0 0 401.444 4.230 20 5 HIBDRN CCC1(CC)Oc2ccc(NC(=O)NCc3ccc(OC)c([N+](=O)[O-])c3)cc2O1 ZINC000470562966 884980285 /nfs/dbraw/zinc/98/02/85/884980285.db2.gz KPFVWKVGVPCNLJ-UHFFFAOYSA-N 0 0 401.419 4.213 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(C)c(Br)c2)c([N+](=O)[O-])cc1OC ZINC000503981810 912896132 /nfs/dbraw/zinc/89/61/32/912896132.db2.gz OVXJNHCNAUTQEO-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN O=C(NCC1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000470688699 885124035 /nfs/dbraw/zinc/12/40/35/885124035.db2.gz HKIUFXFDBNWPOS-UHFFFAOYSA-N 0 0 407.392 4.260 20 5 HIBDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c12 ZINC000470706195 885145566 /nfs/dbraw/zinc/14/55/66/885145566.db2.gz RPCDJGCPXKPKJM-UHFFFAOYSA-N 0 0 405.389 4.243 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OC)nc2C)cc1 ZINC000470713270 885152100 /nfs/dbraw/zinc/15/21/00/885152100.db2.gz JNLBDPUTZYYYBH-UHFFFAOYSA-N 0 0 409.398 4.360 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000470729344 885179888 /nfs/dbraw/zinc/17/98/88/885179888.db2.gz GEDADWNRUGIGDR-UHFFFAOYSA-N 0 0 405.863 4.229 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2cc3c(cc2s1)OCCCO3 ZINC000470743013 885206685 /nfs/dbraw/zinc/20/66/85/885206685.db2.gz FMWVIWJINWNCQS-UHFFFAOYSA-N 0 0 415.427 4.017 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000470761309 885226292 /nfs/dbraw/zinc/22/62/92/885226292.db2.gz WIHIACJAAUTQKF-BONVTDFDSA-N 0 0 400.378 4.277 20 5 HIBDRN O=C(Nc1ccccc1N1CCCCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000504004982 912911294 /nfs/dbraw/zinc/91/12/94/912911294.db2.gz YGANXHPMRPFTIP-UHFFFAOYSA-N 0 0 423.517 4.329 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1cccs1)CC(F)(F)F ZINC000470786931 885262666 /nfs/dbraw/zinc/26/26/66/885262666.db2.gz PSENKNVSCYAAAP-UHFFFAOYSA-N 0 0 410.377 4.047 20 5 HIBDRN C[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](c2ccsc2)O1 ZINC000470793687 885274854 /nfs/dbraw/zinc/27/48/54/885274854.db2.gz QMSZXIBSVSECHX-ZUZCIYMTSA-N 0 0 413.402 4.252 20 5 HIBDRN O=C(Nc1ccccc1O[C@H]1CCOC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000470795975 885279508 /nfs/dbraw/zinc/27/95/08/885279508.db2.gz VCAGHARHYCDICP-LBPRGKRZSA-N 0 0 409.345 4.008 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1 ZINC000470825992 885314871 /nfs/dbraw/zinc/31/48/71/885314871.db2.gz MIICRSKLYRWVEE-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000470831394 885321865 /nfs/dbraw/zinc/32/18/65/885321865.db2.gz LPXFILJBXWHQHM-GFCCVEGCSA-N 0 0 412.364 4.426 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl ZINC000470837972 885330954 /nfs/dbraw/zinc/33/09/54/885330954.db2.gz YPDLCHPLCXWSNG-UHFFFAOYSA-N 0 0 405.838 4.037 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000470843589 885338312 /nfs/dbraw/zinc/33/83/12/885338312.db2.gz YDRVHZTUTGKEBA-GFCCVEGCSA-N 0 0 407.264 4.117 20 5 HIBDRN O=C(Cc1csc2ccc(Br)cc12)NCCc1ccc([N+](=O)[O-])cc1 ZINC000470844233 885340044 /nfs/dbraw/zinc/34/00/44/885340044.db2.gz GTKGFLXSQGAXRE-UHFFFAOYSA-N 0 0 419.300 4.473 20 5 HIBDRN CC[C@@H](C)Cc1c(C)sc2[nH]c(SCCn3cc([N+](=O)[O-])cn3)nc(=O)c12 ZINC000470856538 885351825 /nfs/dbraw/zinc/35/18/25/885351825.db2.gz XXVAVGGHOCKVOD-SNVBAGLBSA-N 0 0 407.521 4.191 20 5 HIBDRN CCOc1ccc(Br)cc1NC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000470878677 885368196 /nfs/dbraw/zinc/36/81/96/885368196.db2.gz AGPUDNIIROUBGY-UHFFFAOYSA-N 0 0 409.236 4.407 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000470878680 885368271 /nfs/dbraw/zinc/36/82/71/885368271.db2.gz AIDVQYPAUHPCSK-UHFFFAOYSA-N 0 0 422.319 4.315 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc(SCCOC)cc1 ZINC000470891994 885386918 /nfs/dbraw/zinc/38/69/18/885386918.db2.gz OSRBEGZHNNUNAR-AWEZNQCLSA-N 0 0 404.488 4.223 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000471016583 885519913 /nfs/dbraw/zinc/51/99/13/885519913.db2.gz FDBCPNUTQLQNCK-NRFANRHFSA-N 0 0 421.501 4.325 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000471031371 885539625 /nfs/dbraw/zinc/53/96/25/885539625.db2.gz MMJGYBGLZFWGDD-FQEVSTJZSA-N 0 0 407.474 4.301 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000471054442 885570000 /nfs/dbraw/zinc/57/00/00/885570000.db2.gz XJEZYNMVXKGPQZ-UHFFFAOYSA-N 0 0 409.211 4.098 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(F)c(Br)cc1F ZINC000471060159 885574779 /nfs/dbraw/zinc/57/47/79/885574779.db2.gz VXTCTJANHJDBIJ-UHFFFAOYSA-N 0 0 401.163 4.287 20 5 HIBDRN O=C(Nc1cc(Br)ccc1NC1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000471145121 885689578 /nfs/dbraw/zinc/68/95/78/885689578.db2.gz WMWDGZCZBCGTRQ-UHFFFAOYSA-N 0 0 416.235 4.060 20 5 HIBDRN CCC(=O)c1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1 ZINC000471147598 885693654 /nfs/dbraw/zinc/69/36/54/885693654.db2.gz GOUHXMXXKDRKFP-SFHVURJKSA-N 0 0 412.442 4.000 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)OC1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000471151267 885699239 /nfs/dbraw/zinc/69/92/39/885699239.db2.gz JWNXDKYOZVVEGT-APWZRJJASA-N 0 0 420.506 4.222 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1=CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000471156493 885706901 /nfs/dbraw/zinc/70/69/01/885706901.db2.gz LFBXVQHIGRBMIV-UHFFFAOYSA-N 0 0 404.470 4.137 20 5 HIBDRN CSc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl ZINC000471171193 885730321 /nfs/dbraw/zinc/73/03/21/885730321.db2.gz VFTVMJNXKHBNLI-UHFFFAOYSA-N 0 0 400.287 4.465 20 5 HIBDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000471243465 885820406 /nfs/dbraw/zinc/82/04/06/885820406.db2.gz NGOYLDYTIXAZKU-UHFFFAOYSA-N 0 0 402.248 4.087 20 5 HIBDRN COC1CCC(C)(CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000471266839 885845677 /nfs/dbraw/zinc/84/56/77/885845677.db2.gz WMNBKADUROBLNU-FVYSKSNYSA-N 0 0 403.523 4.156 20 5 HIBDRN Cc1sc(NC(=O)c2ccc(-c3ncn(C)n3)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000504077404 912980324 /nfs/dbraw/zinc/98/03/24/912980324.db2.gz NZUYKTDSPGNDAR-UHFFFAOYSA-N 0 0 420.454 4.075 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1[N+](=O)[O-] ZINC000471282065 885861913 /nfs/dbraw/zinc/86/19/13/885861913.db2.gz JFTJTHLXRYOXAN-UHFFFAOYSA-N 0 0 405.458 4.394 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2C(=O)COc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000471289093 885873650 /nfs/dbraw/zinc/87/36/50/885873650.db2.gz VCVUREOOLIJIRY-QGZVFWFLSA-N 0 0 404.850 4.389 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)COc2c(Cl)cccc2[N+](=O)[O-])c(OC)c1 ZINC000471293066 885879047 /nfs/dbraw/zinc/87/90/47/885879047.db2.gz PIRPTEIRVSLCSO-MRXNPFEDSA-N 0 0 420.849 4.008 20 5 HIBDRN COc1ccc2cc(CN(C)C(=O)COc3c(Cl)cccc3[N+](=O)[O-])ccc2c1 ZINC000471298537 885887088 /nfs/dbraw/zinc/88/70/88/885887088.db2.gz QJCSCLDADBKEDH-UHFFFAOYSA-N 0 0 414.845 4.447 20 5 HIBDRN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000471310899 885900910 /nfs/dbraw/zinc/90/09/10/885900910.db2.gz QKESGWMEDAFEAJ-FQEVSTJZSA-N 0 0 405.882 4.046 20 5 HIBDRN Cc1c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cccc1NC(=O)N(C)C ZINC000471323341 885916214 /nfs/dbraw/zinc/91/62/14/885916214.db2.gz PJCQRRUEUUZNRJ-UHFFFAOYSA-N 0 0 422.894 4.381 20 5 HIBDRN COCCCC[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000471329578 885927039 /nfs/dbraw/zinc/92/70/39/885927039.db2.gz RCTOOWHHRQAPBX-FQEVSTJZSA-N 0 0 408.458 4.068 20 5 HIBDRN COCCCC[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000471341031 885948378 /nfs/dbraw/zinc/94/83/78/885948378.db2.gz LKXQOFUEWJNUSA-LJQANCHMSA-N 0 0 408.458 4.068 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cccc1NC(=O)N(C)C ZINC000471350409 885964889 /nfs/dbraw/zinc/96/48/89/885964889.db2.gz FTIPAYFIAYZEBD-CYBMUJFWSA-N 0 0 402.476 4.116 20 5 HIBDRN CC(C)(C)OC(=O)CCc1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000471354125 885972822 /nfs/dbraw/zinc/97/28/22/885972822.db2.gz QVXGGKBALCNWKI-UHFFFAOYSA-N 0 0 413.474 4.233 20 5 HIBDRN Cc1c(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cccc1NC(=O)N(C)C ZINC000471371171 886010078 /nfs/dbraw/zinc/01/00/78/886010078.db2.gz SDECSRKYTAPRQR-UHFFFAOYSA-N 0 0 413.478 4.141 20 5 HIBDRN Cc1c(NC(=O)N(C)C)cccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000471373377 886013979 /nfs/dbraw/zinc/01/39/79/886013979.db2.gz NBJKQCDNINIKHX-UHFFFAOYSA-N 0 0 411.462 4.193 20 5 HIBDRN Cc1nnc(-c2cc(F)ccc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000471392108 886040984 /nfs/dbraw/zinc/04/09/84/886040984.db2.gz MTGLOODCCQNTNC-SECBINFHSA-N 0 0 420.784 4.152 20 5 HIBDRN O=C(NC[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000471464692 886148900 /nfs/dbraw/zinc/14/89/00/886148900.db2.gz KTIKLCMHPAFSHR-GOSISDBHSA-N 0 0 423.494 4.234 20 5 HIBDRN CSc1ccc(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)cc1[N+](=O)[O-] ZINC000471465211 886150191 /nfs/dbraw/zinc/15/01/91/886150191.db2.gz PCZGXGQICASMPO-UHFFFAOYSA-N 0 0 411.405 4.346 20 5 HIBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](COC)Cc1ccccc1 ZINC000471469739 886160841 /nfs/dbraw/zinc/16/08/41/886160841.db2.gz FGJSBOOCGUOYDS-MRXNPFEDSA-N 0 0 421.291 4.077 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1(CCOCc2ccccc2)CC1 ZINC000471562376 886271391 /nfs/dbraw/zinc/27/13/91/886271391.db2.gz HXPHHCDNBXEEPS-UHFFFAOYSA-N 0 0 407.470 4.122 20 5 HIBDRN Cc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c(-c2nc(C3CC3)no2)c1 ZINC000471614842 886329582 /nfs/dbraw/zinc/32/95/82/886329582.db2.gz NVXGXTHBXOQEDH-UHFFFAOYSA-N 0 0 408.414 4.238 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000471618897 886336083 /nfs/dbraw/zinc/33/60/83/886336083.db2.gz NRIGHODSULMZMT-UHFFFAOYSA-N 0 0 414.418 4.392 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000471628179 886346706 /nfs/dbraw/zinc/34/67/06/886346706.db2.gz YDZPBNVNLJWKJY-UHFFFAOYSA-N 0 0 414.805 4.193 20 5 HIBDRN Cn1cc(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccc(F)cc21 ZINC000471666194 886378617 /nfs/dbraw/zinc/37/86/17/886378617.db2.gz FZQZCRTXEKCTKW-UHFFFAOYSA-N 0 0 409.339 4.217 20 5 HIBDRN Cn1cc(CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c2ccc(F)cc21 ZINC000471681997 886391220 /nfs/dbraw/zinc/39/12/20/886391220.db2.gz CRCJHEJSVZSSDT-UHFFFAOYSA-N 0 0 419.840 4.007 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cccc4ccn(C)c43)cc2)c(C)c1[N+](=O)[O-] ZINC000471694437 886401507 /nfs/dbraw/zinc/40/15/07/886401507.db2.gz URDQRHNWTFISSD-UHFFFAOYSA-N 0 0 403.442 4.200 20 5 HIBDRN CCSc1cccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC000504157076 913051293 /nfs/dbraw/zinc/05/12/93/913051293.db2.gz JZNPSNXNQLDGKB-UHFFFAOYSA-N 0 0 401.444 4.034 20 5 HIBDRN CO[C@H](C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C(C)C ZINC000471814714 886558772 /nfs/dbraw/zinc/55/87/72/886558772.db2.gz FCUGYWCAGQDBBQ-SFHVURJKSA-N 0 0 410.829 4.467 20 5 HIBDRN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])c3ncccc23)c(C)n1CC(F)(F)F ZINC000471860431 886633955 /nfs/dbraw/zinc/63/39/55/886633955.db2.gz XXXOSOXTKOHLDS-UHFFFAOYSA-N 0 0 407.348 4.385 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](COc2ccccc2)C1 ZINC000504182147 913067744 /nfs/dbraw/zinc/06/77/44/913067744.db2.gz DQXHHZWTYPADHA-OAHLLOKOSA-N 0 0 409.467 4.259 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000471940059 886738847 /nfs/dbraw/zinc/73/88/47/886738847.db2.gz NBCUQKVZCSWTGH-VQIMIIECSA-N 0 0 402.882 4.432 20 5 HIBDRN CCc1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-] ZINC000471981630 886809507 /nfs/dbraw/zinc/80/95/07/886809507.db2.gz VTSOOHSOLMODBS-KRWDZBQOSA-N 0 0 424.432 4.366 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000471990249 886816582 /nfs/dbraw/zinc/81/65/82/886816582.db2.gz WXOFLTCWGASRLH-LPHOPBHVSA-N 0 0 402.882 4.432 20 5 HIBDRN CCc1ccc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000472022835 886846135 /nfs/dbraw/zinc/84/61/35/886846135.db2.gz SAEMSVAPDYBTGH-SFHVURJKSA-N 0 0 419.275 4.133 20 5 HIBDRN COc1ccc2c(c1)OC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C)C2 ZINC000504208922 913086597 /nfs/dbraw/zinc/08/65/97/913086597.db2.gz ZSMJJHNIJJBGKS-OAHLLOKOSA-N 0 0 416.499 4.085 20 5 HIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000504212752 913090104 /nfs/dbraw/zinc/09/01/04/913090104.db2.gz OIUQKJCZYCPLTB-HNNXBMFYSA-N 0 0 403.847 4.072 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCSC[C@@H]1c1nccs1 ZINC000472116554 886902700 /nfs/dbraw/zinc/90/27/00/886902700.db2.gz YZBVHIPVMIEIFU-CQSZACIVSA-N 0 0 418.525 4.105 20 5 HIBDRN CC(=O)c1cc(Br)ccc1OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000504223472 913095320 /nfs/dbraw/zinc/09/53/20/913095320.db2.gz SBRGTHNQCOLRDT-UHFFFAOYSA-N 0 0 418.203 4.189 20 5 HIBDRN C[C@@H](NC(=O)N1CCC[C@H](OCc2ccccc2F)C1)c1ccccc1[N+](=O)[O-] ZINC000472143715 886940894 /nfs/dbraw/zinc/94/08/94/886940894.db2.gz GZUWVCFIIHQREO-WBVHZDCISA-N 0 0 401.438 4.186 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000472185039 886984348 /nfs/dbraw/zinc/98/43/48/886984348.db2.gz BOCPTBIWDPBLER-UHFFFAOYSA-N 0 0 406.373 4.442 20 5 HIBDRN COCCOc1ccc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000472192881 886992846 /nfs/dbraw/zinc/99/28/46/886992846.db2.gz MMUPHZHAWRTSAG-GFCCVEGCSA-N 0 0 410.879 4.393 20 5 HIBDRN O=C(NCCc1cccc(-c2ccccc2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000472200500 887002307 /nfs/dbraw/zinc/00/23/07/887002307.db2.gz RPABMIPRTOCOOO-UHFFFAOYSA-N 0 0 404.422 4.006 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000472287076 887106276 /nfs/dbraw/zinc/10/62/76/887106276.db2.gz LVQMTPICEGIDTK-QGZVFWFLSA-N 0 0 410.417 4.473 20 5 HIBDRN Cc1cc(-c2noc([C@@H](C)NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC000472387675 887232178 /nfs/dbraw/zinc/23/21/78/887232178.db2.gz YNCPGZFNRHHCKV-GFCCVEGCSA-N 0 0 416.434 4.062 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)n2)ccc1F ZINC000472395336 887242709 /nfs/dbraw/zinc/24/27/09/887242709.db2.gz NPTUFRRTIWKPNS-NSHDSACASA-N 0 0 409.377 4.065 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)n2)cc1 ZINC000472429686 887276551 /nfs/dbraw/zinc/27/65/51/887276551.db2.gz RHIQOKFZFAEUFT-AWEZNQCLSA-N 0 0 421.457 4.036 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1ccccc1OC(F)F ZINC000472503729 887370334 /nfs/dbraw/zinc/37/03/34/887370334.db2.gz SDTMNZOXXQCGTO-UHFFFAOYSA-N 0 0 422.431 4.115 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)n2)cc1F ZINC000472518602 887388048 /nfs/dbraw/zinc/38/80/48/887388048.db2.gz LALMTWGVGNYVBP-JTQLQIEISA-N 0 0 404.785 4.237 20 5 HIBDRN CCOc1cc(NC(=O)[C@H]2COc3cc(C)c(C)cc32)c([N+](=O)[O-])cc1OCC ZINC000472526196 887396487 /nfs/dbraw/zinc/39/64/87/887396487.db2.gz YEBBHGVOGXUZMG-HNNXBMFYSA-N 0 0 400.431 4.124 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000472534021 887407875 /nfs/dbraw/zinc/40/78/75/887407875.db2.gz GPMBPDDSVSKFLS-CYBMUJFWSA-N 0 0 412.421 4.247 20 5 HIBDRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000472534442 887407947 /nfs/dbraw/zinc/40/79/47/887407947.db2.gz BSOJEJPEGJFIIF-TZMCWYRMSA-N 0 0 410.348 4.373 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000472545638 887425930 /nfs/dbraw/zinc/42/59/30/887425930.db2.gz HCAYXIDRQJDUHM-GFCCVEGCSA-N 0 0 416.434 4.062 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(Br)cccc21)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000504302503 913153513 /nfs/dbraw/zinc/15/35/13/913153513.db2.gz MOJGWLFTJWZIFC-OAHLLOKOSA-N 0 0 416.231 4.092 20 5 HIBDRN CN(C(=O)CN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000472608326 887478489 /nfs/dbraw/zinc/47/84/89/887478489.db2.gz IDIGPNWWIZSKTO-NRFANRHFSA-N 0 0 419.485 4.175 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000472622316 887489545 /nfs/dbraw/zinc/48/95/45/887489545.db2.gz KRRSSZKMRYKJKG-KRWDZBQOSA-N 0 0 407.474 4.266 20 5 HIBDRN CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472626780 887493742 /nfs/dbraw/zinc/49/37/42/887493742.db2.gz CTKWWVGSHUKTRY-KRWDZBQOSA-N 0 0 407.829 4.182 20 5 HIBDRN CCOc1ccc(C(=O)CCC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)cc1F ZINC000472643479 887508077 /nfs/dbraw/zinc/50/80/77/887508077.db2.gz ABQRDKCIITXHPS-GOSISDBHSA-N 0 0 402.422 4.363 20 5 HIBDRN Cc1ccc(O[C@@H](C)C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(Br)c1 ZINC000504306049 913156875 /nfs/dbraw/zinc/15/68/75/913156875.db2.gz ZGNDOXRGHBQXIC-OLZOCXBDSA-N 0 0 419.275 4.411 20 5 HIBDRN CC(C)CC[C@@H]1CCCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000472706430 887557988 /nfs/dbraw/zinc/55/79/88/887557988.db2.gz QODMORFKRWQTNS-INIZCTEOSA-N 0 0 403.479 4.100 20 5 HIBDRN CC(C)(c1ccc(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1)C(F)(F)F ZINC000472726758 887573981 /nfs/dbraw/zinc/57/39/81/887573981.db2.gz MRTNCKJGWKJLPI-UHFFFAOYSA-N 0 0 413.327 4.151 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(Br)cccc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000504310608 913159880 /nfs/dbraw/zinc/15/98/80/913159880.db2.gz WMKDFQHXUSQGSL-MRXNPFEDSA-N 0 0 416.231 4.092 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOc2c(Cl)cccc21 ZINC000472823939 887668554 /nfs/dbraw/zinc/66/85/54/887668554.db2.gz BUZBYNZITVGGGF-UHFFFAOYSA-N 0 0 401.831 4.411 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)cc1C ZINC000472840369 887692799 /nfs/dbraw/zinc/69/27/99/887692799.db2.gz OMFJWCSZWZEIPA-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000472912779 887758839 /nfs/dbraw/zinc/75/88/39/887758839.db2.gz VJOFCPHTVQRTEN-UHFFFAOYSA-N 0 0 411.393 4.026 20 5 HIBDRN Nc1c(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000472979001 887822430 /nfs/dbraw/zinc/82/24/30/887822430.db2.gz PKFUMYPZHWWPKO-UHFFFAOYSA-N 0 0 424.284 4.305 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CCSC[C@H]3c3nccs3)cs2)c1 ZINC000473076067 887893081 /nfs/dbraw/zinc/89/30/81/887893081.db2.gz HXYBNYLOPCAXHX-HNNXBMFYSA-N 0 0 404.542 4.465 20 5 HIBDRN COc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000473195652 887973801 /nfs/dbraw/zinc/97/38/01/887973801.db2.gz SLHHBPRCKKACHT-KRWDZBQOSA-N 0 0 419.865 4.099 20 5 HIBDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000473396007 888109367 /nfs/dbraw/zinc/10/93/67/888109367.db2.gz PCMMEOICXXREIN-PSLIRLAXSA-N 0 0 410.342 4.372 20 5 HIBDRN O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000473402737 888118267 /nfs/dbraw/zinc/11/82/67/888118267.db2.gz BWXDFRJBBSJMHN-HNNXBMFYSA-N 0 0 407.430 4.208 20 5 HIBDRN Cc1nn(-c2ccccc2)c2nc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)ccc12 ZINC000504387575 913212309 /nfs/dbraw/zinc/21/23/09/913212309.db2.gz KBZQANKYTDQSDS-AWEZNQCLSA-N 0 0 413.437 4.229 20 5 HIBDRN COc1ccc(-c2csc(CNC(=O)CCOc3ccccc3[N+](=O)[O-])c2)cc1 ZINC000473449756 888172547 /nfs/dbraw/zinc/17/25/47/888172547.db2.gz LWICQGPCNNJWDY-UHFFFAOYSA-N 0 0 412.467 4.417 20 5 HIBDRN COC(=O)Cc1ccccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000473491073 888211103 /nfs/dbraw/zinc/21/11/03/888211103.db2.gz VARLIUQDOVUMIS-UHFFFAOYSA-N 0 0 405.410 4.306 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000473511859 888240392 /nfs/dbraw/zinc/24/03/92/888240392.db2.gz ZDVKWGGBFLCFPS-AWEZNQCLSA-N 0 0 404.348 4.215 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(CNc3nc4ccccc4cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000473526854 888263247 /nfs/dbraw/zinc/26/32/47/888263247.db2.gz SHZFQFOMKVIFCR-HOTGVXAUSA-N 0 0 420.469 4.005 20 5 HIBDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000473528132 888265515 /nfs/dbraw/zinc/26/55/15/888265515.db2.gz HGNWJYWMBUDBQE-MWSMCUOVSA-N 0 0 406.529 4.032 20 5 HIBDRN Cc1cc(NC(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000473771705 888570332 /nfs/dbraw/zinc/57/03/32/888570332.db2.gz FOULMKXUTQQQNS-HRAATJIYSA-N 0 0 413.474 4.350 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CSc3nnc(Nc4ccccc4F)s3)nc2c1 ZINC000473783074 888589151 /nfs/dbraw/zinc/58/91/51/888589151.db2.gz CUYKNDMCMDWTDU-UHFFFAOYSA-N 0 0 402.436 4.498 20 5 HIBDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000473893614 888763986 /nfs/dbraw/zinc/76/39/86/888763986.db2.gz JVYLUTFLXGHVEH-UHFFFAOYSA-N 0 0 410.518 4.492 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1O ZINC000473898297 888772888 /nfs/dbraw/zinc/77/28/88/888772888.db2.gz YYWUTFMNUFSGAL-UHFFFAOYSA-N 0 0 407.426 4.325 20 5 HIBDRN CC(C)Sc1ccc(Cl)cc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000473912499 888792219 /nfs/dbraw/zinc/79/22/19/888792219.db2.gz NYTRRRYZNGEXQM-UHFFFAOYSA-N 0 0 407.879 4.117 20 5 HIBDRN C[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cc2cccc(F)c2o1 ZINC000473923386 888803539 /nfs/dbraw/zinc/80/35/39/888803539.db2.gz QDMIQXNHDREHSI-AWEZNQCLSA-N 0 0 412.421 4.073 20 5 HIBDRN Cn1cccc1[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000474111333 888931767 /nfs/dbraw/zinc/93/17/67/888931767.db2.gz DUEFBAPSLHRSHJ-CQSZACIVSA-N 0 0 418.302 4.156 20 5 HIBDRN COc1ccc(CNC(=O)N2CC=C(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000474139378 888962151 /nfs/dbraw/zinc/96/21/51/888962151.db2.gz VTPXVIXXLZEZDV-UHFFFAOYSA-N 0 0 401.850 4.256 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1[N+](=O)[O-] ZINC000474162132 889000552 /nfs/dbraw/zinc/00/05/52/889000552.db2.gz VQTRQPHIMODMCU-UHFFFAOYSA-N 0 0 400.500 4.484 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@]2(CCCOC2)C1 ZINC000474165854 889004277 /nfs/dbraw/zinc/00/42/77/889004277.db2.gz XTDRFQGIJWIZBT-SFHVURJKSA-N 0 0 406.280 4.303 20 5 HIBDRN CCO[C@H](CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)C1CCCC1 ZINC000474178405 889016796 /nfs/dbraw/zinc/01/67/96/889016796.db2.gz PNQHFTHNCKYBQU-GOSISDBHSA-N 0 0 420.897 4.191 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474200380 889037981 /nfs/dbraw/zinc/03/79/81/889037981.db2.gz UNHHNTJVOMQYKH-QWHCGFSZSA-N 0 0 412.895 4.070 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCCOc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000474241870 889089095 /nfs/dbraw/zinc/08/90/95/889089095.db2.gz HXOSTNNLYHYBCZ-LLVKDONJSA-N 0 0 413.261 4.044 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)cc1[N+](=O)[O-] ZINC000474270004 889132899 /nfs/dbraw/zinc/13/28/99/889132899.db2.gz ILYVKXPSXKXPHA-UHFFFAOYSA-N 0 0 421.375 4.251 20 5 HIBDRN CCc1onc(-c2ccccc2Cl)c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000474292198 889157337 /nfs/dbraw/zinc/15/73/37/889157337.db2.gz SJCIRABILYPJJB-UHFFFAOYSA-N 0 0 414.849 4.308 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1C ZINC000474309099 889175132 /nfs/dbraw/zinc/17/51/32/889175132.db2.gz DUHCHUDKSGACIH-INIZCTEOSA-N 0 0 415.471 4.269 20 5 HIBDRN CCNc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000474410689 889276591 /nfs/dbraw/zinc/27/65/91/889276591.db2.gz FUHSPQBRNXMOCP-UHFFFAOYSA-N 0 0 415.877 4.415 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000504574995 913339883 /nfs/dbraw/zinc/33/98/83/913339883.db2.gz IZUZYAVAZQVXHF-UHFFFAOYSA-N 0 0 417.421 4.059 20 5 HIBDRN CCOc1ccc(C(=O)CCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000474538671 889414250 /nfs/dbraw/zinc/41/42/50/889414250.db2.gz ZMNULKQDMKXJRJ-UHFFFAOYSA-N 0 0 414.433 4.287 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H](CO)c3ccsc3)cc2[N+](=O)[O-])n1 ZINC000474643810 889505440 /nfs/dbraw/zinc/50/54/40/889505440.db2.gz ATVXABOFQBCERT-ZDUSSCGKSA-N 0 0 421.525 4.036 20 5 HIBDRN CC[C@]1(C)Oc2ccc(NC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])cc2O1 ZINC000474657389 889521580 /nfs/dbraw/zinc/52/15/80/889521580.db2.gz MXZOLPXJNKIGDX-LJQANCHMSA-N 0 0 424.356 4.355 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000474685444 889547818 /nfs/dbraw/zinc/54/78/18/889547818.db2.gz GFWWMSRFOMRLGQ-UHFFFAOYSA-N 0 0 407.474 4.108 20 5 HIBDRN COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2C)c2nccs2)c(OC)c1 ZINC000474741439 889597347 /nfs/dbraw/zinc/59/73/47/889597347.db2.gz QFYXWMNRCVLUTC-UHFFFAOYSA-N 0 0 413.455 4.224 20 5 HIBDRN CSc1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1Cl ZINC000474756545 889614645 /nfs/dbraw/zinc/61/46/45/889614645.db2.gz JULGVQCYDVNENU-UHFFFAOYSA-N 0 0 421.862 4.297 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCCCOc2ccc3ccccc3c2)cc1OC ZINC000474766813 889624001 /nfs/dbraw/zinc/62/40/01/889624001.db2.gz JFYRUMUEAHDMCJ-UHFFFAOYSA-N 0 0 424.453 4.354 20 5 HIBDRN Cc1c(COC(C)(C)C)cccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000474767741 889625796 /nfs/dbraw/zinc/62/57/96/889625796.db2.gz MGJJQITZUJOZBW-UHFFFAOYSA-N 0 0 409.446 4.051 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000474771764 889629299 /nfs/dbraw/zinc/62/92/99/889629299.db2.gz CEGLDJLDUXSVEO-UHFFFAOYSA-N 0 0 410.376 4.376 20 5 HIBDRN CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000504620572 913374616 /nfs/dbraw/zinc/37/46/16/913374616.db2.gz KDQOHRKHQRRMFJ-UHFFFAOYSA-N 0 0 411.227 4.167 20 5 HIBDRN COc1c(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cccc1[N+](=O)[O-] ZINC000474949079 889805407 /nfs/dbraw/zinc/80/54/07/889805407.db2.gz SGGFYIYRSYNAGF-UHFFFAOYSA-N 0 0 405.382 4.181 20 5 HIBDRN Cc1cc(F)c(Br)cc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000474971284 889826728 /nfs/dbraw/zinc/82/67/28/889826728.db2.gz JXPYYAUVENVMFJ-UHFFFAOYSA-N 0 0 424.226 4.100 20 5 HIBDRN Cc1ccc(-n2cccn2)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000475080938 889926508 /nfs/dbraw/zinc/92/65/08/889926508.db2.gz WRIUZNHGYFGLBN-ZDUSSCGKSA-N 0 0 400.822 4.148 20 5 HIBDRN Cc1ccc(-n2cccn2)cc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475082560 889927998 /nfs/dbraw/zinc/92/79/98/889927998.db2.gz GDMBFRGLNUWLLD-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CCC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)OC ZINC000475091493 889939553 /nfs/dbraw/zinc/93/95/53/889939553.db2.gz BWWXWODTXHQTHO-HNNXBMFYSA-N 0 0 411.252 4.049 20 5 HIBDRN COc1c(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000475121492 889979105 /nfs/dbraw/zinc/97/91/05/889979105.db2.gz TUESUGVIOYVIQJ-UHFFFAOYSA-N 0 0 411.458 4.260 20 5 HIBDRN O=C1CCC[C@H]1[C@H]1COCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475126469 889988321 /nfs/dbraw/zinc/98/83/21/889988321.db2.gz AXAXJZAPNPYZHE-FUHWJXTLSA-N 0 0 404.850 4.078 20 5 HIBDRN COC(=O)[C@@H](CC(F)F)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000475133450 889998380 /nfs/dbraw/zinc/99/83/80/889998380.db2.gz BTKIDIFAKFURIC-CQSZACIVSA-N 0 0 414.792 4.327 20 5 HIBDRN COc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c([N+](=O)[O-])cc1OC ZINC000475169900 890036550 /nfs/dbraw/zinc/03/65/50/890036550.db2.gz BXWUADOFCNFGQK-HNNXBMFYSA-N 0 0 411.414 4.121 20 5 HIBDRN Cn1cc(-c2ccccc2CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000475196491 890067030 /nfs/dbraw/zinc/06/70/30/890067030.db2.gz QLMXFYGQLKFGAO-UHFFFAOYSA-N 0 0 419.363 4.336 20 5 HIBDRN O=C(NCCc1cnn(-c2ccccc2)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475199281 890067809 /nfs/dbraw/zinc/06/78/09/890067809.db2.gz UFFGVOXXOLCHLI-UHFFFAOYSA-N 0 0 419.363 4.164 20 5 HIBDRN CC(C)(C)OC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000475210302 890080398 /nfs/dbraw/zinc/08/03/98/890080398.db2.gz IJFFXYSGWFQYGQ-UHFFFAOYSA-N 0 0 417.384 4.199 20 5 HIBDRN O=C(CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC000475221580 890090335 /nfs/dbraw/zinc/09/03/35/890090335.db2.gz WLBVYZQMHOHTJD-UHFFFAOYSA-N 0 0 416.743 4.027 20 5 HIBDRN O=C(NCc1ccc(-n2ccnc2)c(F)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475224596 890094232 /nfs/dbraw/zinc/09/42/32/890094232.db2.gz OIYUYHKIMRUJHX-UHFFFAOYSA-N 0 0 423.326 4.260 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000475225924 890095804 /nfs/dbraw/zinc/09/58/04/890095804.db2.gz VZNQYTQFZIBDAU-CQSZACIVSA-N 0 0 413.352 4.420 20 5 HIBDRN CC[C@@H](C)[C@H](O)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000475232781 890104179 /nfs/dbraw/zinc/10/41/79/890104179.db2.gz MZGGPGAUTQAIPN-MLGOLLRUSA-N 0 0 422.865 4.186 20 5 HIBDRN COc1c(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000475246039 890128398 /nfs/dbraw/zinc/12/83/98/890128398.db2.gz KWFDTHOQMGERKG-UHFFFAOYSA-N 0 0 411.458 4.052 20 5 HIBDRN COc1c(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cccc1[N+](=O)[O-] ZINC000475257813 890148057 /nfs/dbraw/zinc/14/80/57/890148057.db2.gz SJQZPPHBBYGPNZ-AWEZNQCLSA-N 0 0 411.458 4.036 20 5 HIBDRN Cc1nc(NC(=O)CCc2nc3cc(Br)ccc3s2)ccc1[N+](=O)[O-] ZINC000475316122 890232002 /nfs/dbraw/zinc/23/20/02/890232002.db2.gz LKAPDDFDYGHUHQ-UHFFFAOYSA-N 0 0 421.276 4.242 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000504707746 913441388 /nfs/dbraw/zinc/44/13/88/913441388.db2.gz PBSDISBJCHYJSI-HNNXBMFYSA-N 0 0 404.850 4.331 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000475433540 890353268 /nfs/dbraw/zinc/35/32/68/890353268.db2.gz YCGGPBRIEKBIFM-LBPRGKRZSA-N 0 0 412.833 4.209 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC000475548039 890473085 /nfs/dbraw/zinc/47/30/85/890473085.db2.gz ABXPRTWTAPYTGM-UHFFFAOYSA-N 0 0 401.488 4.369 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000475554263 890479788 /nfs/dbraw/zinc/47/97/88/890479788.db2.gz HUSQETXPCJJEDC-UHFFFAOYSA-N 0 0 414.437 4.233 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)n(-c2ccccc2)n1 ZINC000475553624 890480052 /nfs/dbraw/zinc/48/00/52/890480052.db2.gz ZDTBDILXTHCOLO-INIZCTEOSA-N 0 0 407.474 4.458 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H](C)CNc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000475561274 890490230 /nfs/dbraw/zinc/49/02/30/890490230.db2.gz LPGXUIYKFJTSEN-DLBZAZTESA-N 0 0 419.485 4.393 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H](CO)c1cccc(Br)c1 ZINC000475574345 890504203 /nfs/dbraw/zinc/50/42/03/890504203.db2.gz WJLZIJZIMZOZMC-QGZVFWFLSA-N 0 0 422.279 4.171 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000475578930 890507578 /nfs/dbraw/zinc/50/75/78/890507578.db2.gz DPJUWQMPKBIVPD-UHFFFAOYSA-N 0 0 415.837 4.279 20 5 HIBDRN COc1cccc([C@H](C)N2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)c1 ZINC000475579129 890507970 /nfs/dbraw/zinc/50/79/70/890507970.db2.gz FXIQIXYCEPBZML-KRWDZBQOSA-N 0 0 412.490 4.131 20 5 HIBDRN COc1c(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)cccc1[N+](=O)[O-] ZINC000475581023 890509937 /nfs/dbraw/zinc/50/99/37/890509937.db2.gz HOIYSKFVCSLCMC-UHFFFAOYSA-N 0 0 402.410 4.409 20 5 HIBDRN COC(=O)COc1ccc(CN2CCC[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000475585006 890513014 /nfs/dbraw/zinc/51/30/14/890513014.db2.gz UMHKISJPZFEDBU-KRWDZBQOSA-N 0 0 404.850 4.137 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000475587967 890514717 /nfs/dbraw/zinc/51/47/17/890514717.db2.gz OSRITAPVPJVWOY-UHFFFAOYSA-N 0 0 419.153 4.437 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000475652369 890595431 /nfs/dbraw/zinc/59/54/31/890595431.db2.gz GKHHCVCQEOPPIU-LJQANCHMSA-N 0 0 423.494 4.192 20 5 HIBDRN COC(=O)COc1ccc(CN2CCCC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000475702045 890640245 /nfs/dbraw/zinc/64/02/45/890640245.db2.gz RMUSZGJNTQOGQH-GOSISDBHSA-N 0 0 402.422 4.013 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)NCCCNc3ccc(C)cc3[N+](=O)[O-])cc2)o1 ZINC000475702867 890641538 /nfs/dbraw/zinc/64/15/38/890641538.db2.gz OHDWOWZGGMMPPP-UHFFFAOYSA-N 0 0 424.461 4.139 20 5 HIBDRN Cc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000475730516 890668838 /nfs/dbraw/zinc/66/88/38/890668838.db2.gz KBSPFCCZVYRQLL-UHFFFAOYSA-N 0 0 401.894 4.085 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC000475740688 890682410 /nfs/dbraw/zinc/68/24/10/890682410.db2.gz UGMMTFAGTOWCLC-UHFFFAOYSA-N 0 0 422.407 4.342 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H](C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000475742704 890686098 /nfs/dbraw/zinc/68/60/98/890686098.db2.gz SAUDUPUCDQRFFK-NSHDSACASA-N 0 0 410.348 4.223 20 5 HIBDRN COc1c(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000475757433 890704719 /nfs/dbraw/zinc/70/47/19/890704719.db2.gz GSNMANLUIAQMCO-UHFFFAOYSA-N 0 0 411.439 4.098 20 5 HIBDRN CC(C)(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1F ZINC000504741098 913479714 /nfs/dbraw/zinc/47/97/14/913479714.db2.gz MXOICXCDCCPSNG-UHFFFAOYSA-N 0 0 402.469 4.388 20 5 HIBDRN CC[C@H](CSc1ccccc1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000504744307 913481613 /nfs/dbraw/zinc/48/16/13/913481613.db2.gz AFOFNCUJOZIELD-MRXNPFEDSA-N 0 0 410.499 4.296 20 5 HIBDRN CN(C(=O)c1cccnc1C(F)(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000475816678 890751985 /nfs/dbraw/zinc/75/19/85/890751985.db2.gz ZOPQAGGUEFOMSB-UHFFFAOYSA-N 0 0 408.361 4.409 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)Oc3ncccc32)cc1 ZINC000475919465 890845378 /nfs/dbraw/zinc/84/53/78/890845378.db2.gz LXFDREWGWMTLQK-CQSZACIVSA-N 0 0 421.409 4.218 20 5 HIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1SCC(=O)C1(c2ccccc2)CC1 ZINC000475945132 890868149 /nfs/dbraw/zinc/86/81/49/890868149.db2.gz ICOUYVFRHORZRE-UHFFFAOYSA-N 0 0 400.503 4.480 20 5 HIBDRN CCOc1ccc(Br)cc1CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000504782410 913510677 /nfs/dbraw/zinc/51/06/77/913510677.db2.gz PEWAYRLKSJUFNF-UHFFFAOYSA-N 0 0 409.236 4.154 20 5 HIBDRN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000476120704 891043724 /nfs/dbraw/zinc/04/37/24/891043724.db2.gz VVZQAXGOXYQREQ-CQSZACIVSA-N 0 0 418.877 4.360 20 5 HIBDRN COc1cccc(C2=CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)c1 ZINC000476135839 891058249 /nfs/dbraw/zinc/05/82/49/891058249.db2.gz FCWPYTAIZRFTRD-UHFFFAOYSA-N 0 0 407.470 4.133 20 5 HIBDRN CC[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@H](C)[S@@]1=O ZINC000476154251 891078763 /nfs/dbraw/zinc/07/87/63/891078763.db2.gz MBXJGBPZAFKNEC-AYBWMNQCSA-N 0 0 417.487 4.150 20 5 HIBDRN Cc1c(C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000476204186 891135326 /nfs/dbraw/zinc/13/53/26/891135326.db2.gz QUEBXVNCGJNIPX-GHTZIAJQSA-N 0 0 419.485 4.015 20 5 HIBDRN COc1c(C(=O)Nc2cc(Br)ccc2NC(C)C)cccc1[N+](=O)[O-] ZINC000476207487 891138905 /nfs/dbraw/zinc/13/89/05/891138905.db2.gz YSSDPXJFQWOWEH-UHFFFAOYSA-N 0 0 408.252 4.439 20 5 HIBDRN O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000504813555 913532220 /nfs/dbraw/zinc/53/22/20/913532220.db2.gz MYGJGDXZLOWWJU-UHFFFAOYSA-N 0 0 418.478 4.498 20 5 HIBDRN CC(C)(C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000476329110 891234119 /nfs/dbraw/zinc/23/41/19/891234119.db2.gz HCJAWCBSNVGOAD-UHFFFAOYSA-N 0 0 407.470 4.200 20 5 HIBDRN Cc1ccc(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1[N+](=O)[O-] ZINC000476345975 891250798 /nfs/dbraw/zinc/25/07/98/891250798.db2.gz FNMRLPJQCRXQPF-IAGOWNOFSA-N 0 0 410.257 4.332 20 5 HIBDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000476354556 891259760 /nfs/dbraw/zinc/25/97/60/891259760.db2.gz KLRVDLBPWGYPOA-JTQLQIEISA-N 0 0 415.343 4.106 20 5 HIBDRN COCc1ccccc1CNC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000476398497 891314988 /nfs/dbraw/zinc/31/49/88/891314988.db2.gz UDYKSQDQYRGBKD-UHFFFAOYSA-N 0 0 420.469 4.213 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)c2ccccc2OC)cc1 ZINC000476417094 891328859 /nfs/dbraw/zinc/32/88/59/891328859.db2.gz IVKIRILMYIMTAB-NRFANRHFSA-N 0 0 422.437 4.140 20 5 HIBDRN Cc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1O ZINC000476415861 891329822 /nfs/dbraw/zinc/32/98/22/891329822.db2.gz QEXWXADOGHOTLZ-UHFFFAOYSA-N 0 0 423.391 4.483 20 5 HIBDRN COc1c(C(=O)N2CCc3c(Br)cccc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000476522841 891435296 /nfs/dbraw/zinc/43/52/96/891435296.db2.gz JWLJRLXTVYRGSN-NSHDSACASA-N 0 0 405.248 4.125 20 5 HIBDRN COc1c(C(=O)N2CCN(Cc3ccccc3)c3ccccc32)cccc1[N+](=O)[O-] ZINC000476523818 891437463 /nfs/dbraw/zinc/43/74/63/891437463.db2.gz GKGNFGMKLWEZNX-UHFFFAOYSA-N 0 0 403.438 4.270 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N(Cc2cccc(Br)c2)CC2CC2)c1[N+](=O)[O-] ZINC000476538282 891452166 /nfs/dbraw/zinc/45/21/66/891452166.db2.gz DAUPOKONTZODIB-UHFFFAOYSA-N 0 0 421.295 4.256 20 5 HIBDRN CCCN([C@H]1CCCc2cccnc21)S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000476606656 891541344 /nfs/dbraw/zinc/54/13/44/891541344.db2.gz PSZZROOMMOSMRS-SFHVURJKSA-N 0 0 403.504 4.031 20 5 HIBDRN CC1(C)CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC000476663700 891610270 /nfs/dbraw/zinc/61/02/70/891610270.db2.gz ZNFLWBOYQJPXMT-SFHVURJKSA-N 0 0 422.407 4.420 20 5 HIBDRN COc1c(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000476673619 891621924 /nfs/dbraw/zinc/62/19/24/891621924.db2.gz LOOFAYOIOMGDAJ-HNNXBMFYSA-N 0 0 423.494 4.262 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC000476673854 891624613 /nfs/dbraw/zinc/62/46/13/891624613.db2.gz VEJQHVGCFLAOII-UHFFFAOYSA-N 0 0 422.228 4.052 20 5 HIBDRN COc1c(C(=O)N2CC=C(c3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] ZINC000476693632 891648297 /nfs/dbraw/zinc/64/82/97/891648297.db2.gz PCKSNFZCPHWUCY-UHFFFAOYSA-N 0 0 417.259 4.295 20 5 HIBDRN CN(C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000476700900 891659152 /nfs/dbraw/zinc/65/91/52/891659152.db2.gz PAPITHHVOIXKML-UHFFFAOYSA-N 0 0 407.348 4.017 20 5 HIBDRN CCc1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)onc1C(F)(F)F ZINC000476743514 891712168 /nfs/dbraw/zinc/71/21/68/891712168.db2.gz IHKBKJHDYDBEJX-UHFFFAOYSA-N 0 0 415.371 4.363 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@H]1C ZINC000476773837 891748576 /nfs/dbraw/zinc/74/85/76/891748576.db2.gz DRXJLYZVKADYDK-RHSMWYFYSA-N 0 0 414.483 4.017 20 5 HIBDRN COc1cc(C(=O)NCC(C)(C)CCO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000476778307 891757715 /nfs/dbraw/zinc/75/77/15/891757715.db2.gz WRFZMYVQVOBZON-UHFFFAOYSA-N 0 0 422.865 4.188 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CN(Cc1cccs1)c1ccc(Br)cc1 ZINC000476805593 891792252 /nfs/dbraw/zinc/79/22/52/891792252.db2.gz KLNNKRWKIVAKSG-UHFFFAOYSA-N 0 0 407.293 4.359 20 5 HIBDRN COc1ccc(N(Cc2ccc([N+](=O)[O-])cc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000476813715 891800281 /nfs/dbraw/zinc/80/02/81/891800281.db2.gz BDUAZJIOPOIPMK-UHFFFAOYSA-N 0 0 416.430 4.138 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000476823693 891807291 /nfs/dbraw/zinc/80/72/91/891807291.db2.gz DLYLEODTKAIQLW-UHFFFAOYSA-N 0 0 412.442 4.064 20 5 HIBDRN O=C(NC[C@H]1CCCC1=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000476917072 891867349 /nfs/dbraw/zinc/86/73/49/891867349.db2.gz ACYCXVQPABAISF-GFCCVEGCSA-N 0 0 404.875 4.498 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)on1 ZINC000477043444 891968528 /nfs/dbraw/zinc/96/85/28/891968528.db2.gz KXOGQYZMDYYBRM-UHFFFAOYSA-N 0 0 424.434 4.386 20 5 HIBDRN Cc1cc(NC(=O)c2cc(C)ccc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000477094205 892027595 /nfs/dbraw/zinc/02/75/95/892027595.db2.gz WEIXIHFCNJXHCB-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=C(Nc1cccc(C(=O)NCc2ccccc2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000477097805 892032604 /nfs/dbraw/zinc/03/26/04/892032604.db2.gz ISMILYWPICXENH-UHFFFAOYSA-N 0 0 414.421 4.258 20 5 HIBDRN COc1c(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)cccc1[N+](=O)[O-] ZINC000477120171 892049821 /nfs/dbraw/zinc/04/98/21/892049821.db2.gz JHSZEHNSCYTXBD-UHFFFAOYSA-N 0 0 401.325 4.321 20 5 HIBDRN CCn1c(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)nc2cccnc21 ZINC000477130604 892059727 /nfs/dbraw/zinc/05/97/27/892059727.db2.gz ANTZWSBDGQPLPN-UHFFFAOYSA-N 0 0 416.441 4.224 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3cccc4ccccc43)CC2)c(F)c1 ZINC000477134857 892062911 /nfs/dbraw/zinc/06/29/11/892062911.db2.gz HKANIGPAXIWXHV-UHFFFAOYSA-N 0 0 414.458 4.455 20 5 HIBDRN COc1ccc(C(=O)C2CCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000477208675 892137879 /nfs/dbraw/zinc/13/78/79/892137879.db2.gz KGQPYECFIVLZBD-UHFFFAOYSA-N 0 0 416.861 4.300 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000477224887 892161324 /nfs/dbraw/zinc/16/13/24/892161324.db2.gz DEZOPKFYKFUKSZ-AWEZNQCLSA-N 0 0 423.391 4.021 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC000477270237 892219711 /nfs/dbraw/zinc/21/97/11/892219711.db2.gz FBDZBKLHYPDZNA-UHFFFAOYSA-N 0 0 411.845 4.461 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3cc4cc(C)ccc4o3)CC2)ccc1[N+](=O)[O-] ZINC000477355111 892320326 /nfs/dbraw/zinc/32/03/26/892320326.db2.gz QJEDCRJSFLBZBZ-UHFFFAOYSA-N 0 0 409.442 4.011 20 5 HIBDRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000477361292 892325906 /nfs/dbraw/zinc/32/59/06/892325906.db2.gz KKBSJYFVGSPXFZ-MRXNPFEDSA-N 0 0 405.857 4.403 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCC12CCC2 ZINC000477363626 892327407 /nfs/dbraw/zinc/32/74/07/892327407.db2.gz TVTINTHRRINKCF-UHFFFAOYSA-N 0 0 402.454 4.145 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC=C(c3cccc(Cl)c3)CC2)cc([N+](=O)[O-])c1 ZINC000477371258 892333414 /nfs/dbraw/zinc/33/34/14/892333414.db2.gz GRVOWBHIRRLXDU-UHFFFAOYSA-N 0 0 414.845 4.354 20 5 HIBDRN COC(=O)c1sc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nc1C(C)(C)C ZINC000477371056 892333432 /nfs/dbraw/zinc/33/34/32/892333432.db2.gz GEOHOPJHWMCSRI-UHFFFAOYSA-N 0 0 411.867 4.350 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)o3)CC2)ccc1[N+](=O)[O-] ZINC000477374013 892335467 /nfs/dbraw/zinc/33/54/67/892335467.db2.gz DFACPTNSVYGSSD-UHFFFAOYSA-N 0 0 421.453 4.216 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3cccc(SCC)c3)CC2)ccc1[N+](=O)[O-] ZINC000477373399 892335508 /nfs/dbraw/zinc/33/55/08/892335508.db2.gz CAWUGNHDVPFHTM-UHFFFAOYSA-N 0 0 415.515 4.068 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000477375403 892337256 /nfs/dbraw/zinc/33/72/56/892337256.db2.gz FZMBPTJWPZNDLZ-UHFFFAOYSA-N 0 0 405.454 4.109 20 5 HIBDRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3F)c2)cc1 ZINC000477433325 892385068 /nfs/dbraw/zinc/38/50/68/892385068.db2.gz LEUZJICKYYBYJF-UHFFFAOYSA-N 0 0 421.428 4.154 20 5 HIBDRN O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477464578 892437023 /nfs/dbraw/zinc/43/70/23/892437023.db2.gz FKQJAXLMLRVWHW-UHFFFAOYSA-N 0 0 419.865 4.412 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000477471486 892448603 /nfs/dbraw/zinc/44/86/03/892448603.db2.gz ONBIZIUTLSCSDK-LLVKDONJSA-N 0 0 413.400 4.470 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1OC(F)F ZINC000477495899 892498584 /nfs/dbraw/zinc/49/85/84/892498584.db2.gz DFOUWAYTTFVUFJ-UHFFFAOYSA-N 0 0 403.744 4.353 20 5 HIBDRN COCCCOc1cccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000477534035 892565585 /nfs/dbraw/zinc/56/55/85/892565585.db2.gz SEIQOXSNWQQSLM-UHFFFAOYSA-N 0 0 407.854 4.028 20 5 HIBDRN COc1cc(C(=O)N(C)C2c3ccccc3-c3ccccc32)cc([N+](=O)[O-])c1OC ZINC000477547300 892588884 /nfs/dbraw/zinc/58/88/84/892588884.db2.gz UQDWPMFSZUSBMO-UHFFFAOYSA-N 0 0 404.422 4.454 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000477554806 892600632 /nfs/dbraw/zinc/60/06/32/892600632.db2.gz WHXYKAKFAUKCGI-LJQANCHMSA-N 0 0 406.360 4.275 20 5 HIBDRN Cc1c(Br)cccc1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000477783725 892865615 /nfs/dbraw/zinc/86/56/15/892865615.db2.gz KBTBOYCECPBNFI-UHFFFAOYSA-N 0 0 403.276 4.399 20 5 HIBDRN CN1c2cc(Br)ccc2N(C(=O)c2csc([N+](=O)[O-])c2)CC1(C)C ZINC000477804262 892877402 /nfs/dbraw/zinc/87/74/02/892877402.db2.gz BUTUCJKFPQULNV-UHFFFAOYSA-N 0 0 410.293 4.294 20 5 HIBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nc(C)co2)c([N+](=O)[O-])c1 ZINC000477808909 892880272 /nfs/dbraw/zinc/88/02/72/892880272.db2.gz SHYUBBWIAORRMN-UHFFFAOYSA-N 0 0 419.484 4.258 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000477811031 892882149 /nfs/dbraw/zinc/88/21/49/892882149.db2.gz ADVJPSIIRQFOFL-UHFFFAOYSA-N 0 0 410.861 4.454 20 5 HIBDRN Cc1cn(-c2cccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])c2)c(=O)[nH]1 ZINC000477814318 892883742 /nfs/dbraw/zinc/88/37/42/892883742.db2.gz KZTXIFSHUKMUPD-UHFFFAOYSA-N 0 0 418.862 4.179 20 5 HIBDRN Cc1c(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000477814953 892884773 /nfs/dbraw/zinc/88/47/73/892884773.db2.gz LKMIHYRJWZMYHX-KPZWWZAWSA-N 0 0 422.268 4.368 20 5 HIBDRN Cc1cn(-c2cccc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)c2)c(=O)[nH]1 ZINC000477819259 892886534 /nfs/dbraw/zinc/88/65/34/892886534.db2.gz SWOFTHZQFUEXEI-UHFFFAOYSA-N 0 0 406.320 4.066 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000477827128 892890896 /nfs/dbraw/zinc/89/08/96/892890896.db2.gz UJWDIXNBWNNLSF-FZKQIMNGSA-N 0 0 422.268 4.368 20 5 HIBDRN Cc1ccncc1CN(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000477894290 892960411 /nfs/dbraw/zinc/96/04/11/892960411.db2.gz UXWGNBPIKCWIBP-UHFFFAOYSA-N 0 0 420.256 4.063 20 5 HIBDRN COCc1ccc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000477957883 893049100 /nfs/dbraw/zinc/04/91/00/893049100.db2.gz KZRXLUBAHPFGFD-IAGOWNOFSA-N 0 0 411.502 4.154 20 5 HIBDRN Cc1nn(C)c(C(=O)N[C@@](C)(CC(C)C)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000478014640 893130140 /nfs/dbraw/zinc/13/01/40/893130140.db2.gz HTRZDSDZRYPHDL-SFHVURJKSA-N 0 0 423.311 4.091 20 5 HIBDRN CCCC[C@H](CC)CC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000478087264 893251060 /nfs/dbraw/zinc/25/10/60/893251060.db2.gz QRLVDOFMIRDKMH-INIZCTEOSA-N 0 0 401.511 4.116 20 5 HIBDRN C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000478096790 893260996 /nfs/dbraw/zinc/26/09/96/893260996.db2.gz UBONFBLYHWZRDT-CYBMUJFWSA-N 0 0 417.416 4.409 20 5 HIBDRN O=C(Nc1cccc(-n2cccc2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478100258 893266505 /nfs/dbraw/zinc/26/65/05/893266505.db2.gz JAMHGGOZPCUWFR-UHFFFAOYSA-N 0 0 406.442 4.461 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000478121582 893291758 /nfs/dbraw/zinc/29/17/58/893291758.db2.gz XNPNBJXAUJDZKY-UHFFFAOYSA-N 0 0 419.481 4.203 20 5 HIBDRN O=C(Nc1cccc2c1OCCC2=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000505009972 913752791 /nfs/dbraw/zinc/75/27/91/913752791.db2.gz ZYUDMRJBHAQCCX-UHFFFAOYSA-N 0 0 417.421 4.424 20 5 HIBDRN CCCC[C@](C)(NC(=O)Cn1cc([N+](=O)[O-])nc1C)c1cccc(Br)c1 ZINC000478143109 893314629 /nfs/dbraw/zinc/31/46/29/893314629.db2.gz YLKOMKFLFNSWKR-SFHVURJKSA-N 0 0 423.311 4.084 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000478209024 893371287 /nfs/dbraw/zinc/37/12/87/893371287.db2.gz OQJBEDVPJNAWLZ-GXTWGEPZSA-N 0 0 414.311 4.084 20 5 HIBDRN CCOc1cc(NC(=O)NCc2cc(C)c(O)c(C)c2)c([N+](=O)[O-])cc1OCC ZINC000505036271 913777068 /nfs/dbraw/zinc/77/70/68/913777068.db2.gz VABFJHDEJZMRCQ-UHFFFAOYSA-N 0 0 403.435 4.036 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000478335088 893570788 /nfs/dbraw/zinc/57/07/88/893570788.db2.gz FZNLXRCTRDXJJA-UTKZUKDTSA-N 0 0 422.547 4.143 20 5 HIBDRN CCOc1ccc(C(=O)N2CCc3cc(Br)cc(F)c32)cc1[N+](=O)[O-] ZINC000478404703 893690301 /nfs/dbraw/zinc/69/03/01/893690301.db2.gz HWGQYUAZVPGBGK-UHFFFAOYSA-N 0 0 409.211 4.098 20 5 HIBDRN Cc1cc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000478474985 893801761 /nfs/dbraw/zinc/80/17/61/893801761.db2.gz UKLAQIXWMOXNSJ-AWEZNQCLSA-N 0 0 402.756 4.039 20 5 HIBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000478477386 893802828 /nfs/dbraw/zinc/80/28/28/893802828.db2.gz FNWHHHDGDFJNIU-UHFFFAOYSA-N 0 0 415.247 4.020 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)cc1[N+](=O)[O-] ZINC000478540287 893840190 /nfs/dbraw/zinc/84/01/90/893840190.db2.gz QVQOLBCUPWNCDS-UHFFFAOYSA-N 0 0 405.313 4.112 20 5 HIBDRN CCNc1ccc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1[N+](=O)[O-] ZINC000478545267 893842574 /nfs/dbraw/zinc/84/25/74/893842574.db2.gz TVNFHSOWCQUTFC-INIZCTEOSA-N 0 0 405.401 4.435 20 5 HIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N(CC1CC1)C1CCC1 ZINC000478597783 893865850 /nfs/dbraw/zinc/86/58/50/893865850.db2.gz ZYSUZADVJIPCQU-UHFFFAOYSA-N 0 0 409.273 4.492 20 5 HIBDRN COc1cc(CNc2nc(-c3ccccc3)c(NC(C)=O)s2)c([N+](=O)[O-])cc1O ZINC000478627312 893883790 /nfs/dbraw/zinc/88/37/90/893883790.db2.gz BZCFSAQKWAMVTC-UHFFFAOYSA-N 0 0 414.443 4.003 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1NC(=O)N(C)C ZINC000478665141 893910027 /nfs/dbraw/zinc/91/00/27/893910027.db2.gz BEWOCYQOKJXWEL-UHFFFAOYSA-N 0 0 421.251 4.012 20 5 HIBDRN COC(=O)COc1ccc(CN(C)C(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000478675472 893926754 /nfs/dbraw/zinc/92/67/54/893926754.db2.gz IRQGLBQADWPCQE-UHFFFAOYSA-N 0 0 414.461 4.212 20 5 HIBDRN CCOc1cc(OCC(=O)N[C@H](c2cccs2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000478726988 894000634 /nfs/dbraw/zinc/00/06/34/894000634.db2.gz YRVSTRFQTCNQBU-NRFANRHFSA-N 0 0 412.467 4.340 20 5 HIBDRN C[C@H](Sc1n[nH]c(Cc2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000478760899 894037410 /nfs/dbraw/zinc/03/74/10/894037410.db2.gz AXWFHUBTWHVLEQ-NSHDSACASA-N 0 0 417.878 4.076 20 5 HIBDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000478776551 894052617 /nfs/dbraw/zinc/05/26/17/894052617.db2.gz XJSZBZIWWCDNOF-YJBOKZPZSA-N 0 0 403.504 4.432 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCCOc2c(F)cccc21 ZINC000478779129 894053977 /nfs/dbraw/zinc/05/39/77/894053977.db2.gz PMCIEKYPYSXTAU-INIZCTEOSA-N 0 0 423.238 4.069 20 5 HIBDRN O=C(CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1ccc(Br)cc1 ZINC000478793989 894069368 /nfs/dbraw/zinc/06/93/68/894069368.db2.gz HPWXHUJHAUNVBY-UHFFFAOYSA-N 0 0 415.247 4.250 20 5 HIBDRN COc1ccc(CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000478824557 894098748 /nfs/dbraw/zinc/09/87/48/894098748.db2.gz VCHYFYPYPURMDN-UHFFFAOYSA-N 0 0 411.380 4.268 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000478911907 894191694 /nfs/dbraw/zinc/19/16/94/894191694.db2.gz VKVJKQJYTYOQCF-AWEZNQCLSA-N 0 0 421.734 4.261 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)cc2[N+](=O)[O-])C1 ZINC000478981035 894257260 /nfs/dbraw/zinc/25/72/60/894257260.db2.gz LNFASPKDFKBSDA-AWEZNQCLSA-N 0 0 423.473 4.061 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000479141211 894410205 /nfs/dbraw/zinc/41/02/05/894410205.db2.gz HXQJUTXCULQDAK-UHFFFAOYSA-N 0 0 409.364 4.023 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)Nc2c(F)cc(F)cc2Br)c1[N+](=O)[O-] ZINC000479142895 894412481 /nfs/dbraw/zinc/41/24/81/894412481.db2.gz REDPDXKKLKYNMI-UHFFFAOYSA-N 0 0 421.219 4.053 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(C2CC2)c2cc(F)ccc21 ZINC000479184090 894450786 /nfs/dbraw/zinc/45/07/86/894450786.db2.gz NCENNDCHTYMRDO-UHFFFAOYSA-N 0 0 420.238 4.126 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)c2cccnc12 ZINC000479260499 894528829 /nfs/dbraw/zinc/52/88/29/894528829.db2.gz SHBOEPVYUAOTAY-UHFFFAOYSA-N 0 0 405.382 4.475 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000479270960 894544569 /nfs/dbraw/zinc/54/45/69/894544569.db2.gz BJRSUZJDFPEIMM-KRWDZBQOSA-N 0 0 403.797 4.082 20 5 HIBDRN CCc1ccc(C(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)cc1[N+](=O)[O-] ZINC000479359408 894658731 /nfs/dbraw/zinc/65/87/31/894658731.db2.gz BFXVTQPMDPRDMU-UHFFFAOYSA-N 0 0 410.455 4.491 20 5 HIBDRN CCOc1cccc2cc([C@@H](C)NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)oc21 ZINC000479366618 894666443 /nfs/dbraw/zinc/66/64/43/894666443.db2.gz SJKLDQQGWJHUBP-CQSZACIVSA-N 0 0 420.425 4.416 20 5 HIBDRN CC(C)c1noc(-c2ccccc2C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000479373571 894674958 /nfs/dbraw/zinc/67/49/58/894674958.db2.gz BGLDSFAWEGHSSK-UHFFFAOYSA-N 0 0 414.849 4.394 20 5 HIBDRN CC(C)CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCc2cccnc21 ZINC000479376475 894676665 /nfs/dbraw/zinc/67/66/65/894676665.db2.gz HUEAXXBOZWYQBT-HXUWFJFHSA-N 0 0 420.469 4.419 20 5 HIBDRN O=C(NCCCOC[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000479388790 894690074 /nfs/dbraw/zinc/69/00/74/894690074.db2.gz KNJIVCZCTMUYRU-KRWDZBQOSA-N 0 0 416.499 4.062 20 5 HIBDRN CCCCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cn1 ZINC000479413271 894721530 /nfs/dbraw/zinc/72/15/30/894721530.db2.gz AVAFEZVGVFLNAJ-UHFFFAOYSA-N 0 0 401.466 4.367 20 5 HIBDRN COc1ccc2c(c1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CCC2 ZINC000479456247 894777084 /nfs/dbraw/zinc/77/70/84/894777084.db2.gz RZOMUFVZNBPLAE-UHFFFAOYSA-N 0 0 408.401 4.357 20 5 HIBDRN COc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1 ZINC000479458674 894779615 /nfs/dbraw/zinc/77/96/15/894779615.db2.gz QJWLAHKCSTVDJM-UHFFFAOYSA-N 0 0 404.488 4.160 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000479491664 894812266 /nfs/dbraw/zinc/81/22/66/894812266.db2.gz WHIJPCJGDFACNV-UHFFFAOYSA-N 0 0 407.474 4.123 20 5 HIBDRN O=C(Nc1ccc(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc1)c1ccccc1 ZINC000479536459 894841105 /nfs/dbraw/zinc/84/11/05/894841105.db2.gz DYGFXBXHHCJTAH-MSOLQXFVSA-N 0 0 406.446 4.034 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(OC)c(OC)cc1C ZINC000479552573 894850986 /nfs/dbraw/zinc/85/09/86/894850986.db2.gz BXTPZLOBJRKFIR-UHFFFAOYSA-N 0 0 404.488 4.305 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1O ZINC000479563946 894860548 /nfs/dbraw/zinc/86/05/48/894860548.db2.gz FBIBFXCEHFKBQW-ZDUSSCGKSA-N 0 0 408.414 4.129 20 5 HIBDRN COc1ccccc1-c1nc(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000479566798 894862590 /nfs/dbraw/zinc/86/25/90/894862590.db2.gz MCHZCMHWAGGSMR-UHFFFAOYSA-N 0 0 423.429 4.065 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ncon1 ZINC000479589273 894874592 /nfs/dbraw/zinc/87/45/92/894874592.db2.gz UOBVXXMVFMVSHO-SNVBAGLBSA-N 0 0 404.835 4.273 20 5 HIBDRN COc1cc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc([N+](=O)[O-])c1C ZINC000479641324 894910935 /nfs/dbraw/zinc/91/09/35/894910935.db2.gz GWWAVFUCZZKHHT-INIZCTEOSA-N 0 0 400.431 4.112 20 5 HIBDRN Cn1cc([C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccc(F)cc2)cn1 ZINC000479644746 894913684 /nfs/dbraw/zinc/91/36/84/894913684.db2.gz OCLLWCSMMKDGIG-QGZVFWFLSA-N 0 0 422.338 4.006 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc([N+](=O)[O-])c1C ZINC000479658023 894932176 /nfs/dbraw/zinc/93/21/76/894932176.db2.gz JJUXFJRGQCSOSJ-UHFFFAOYSA-N 0 0 419.865 4.203 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000479670782 894950084 /nfs/dbraw/zinc/95/00/84/894950084.db2.gz DGSIFGAASKOGKM-HXPMCKFVSA-N 0 0 422.865 4.162 20 5 HIBDRN COCC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C)o1 ZINC000479674517 894955769 /nfs/dbraw/zinc/95/57/69/894955769.db2.gz LLJOREIEUQWYHD-OAHLLOKOSA-N 0 0 401.444 4.127 20 5 HIBDRN C[C@H](S[C@@H](C)C(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000479723403 895021307 /nfs/dbraw/zinc/02/13/07/895021307.db2.gz TZDUHVFNXRDDHH-UWVGGRQHSA-N 0 0 422.425 4.404 20 5 HIBDRN CC1(C)CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000479751306 895050852 /nfs/dbraw/zinc/05/08/52/895050852.db2.gz SVMYPDPHGSGQHL-CQSZACIVSA-N 0 0 407.820 4.411 20 5 HIBDRN CC(C)COC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000505276796 913933544 /nfs/dbraw/zinc/93/35/44/913933544.db2.gz ABUOGGMEVUNRGH-ZFWWWQNUSA-N 0 0 410.854 4.139 20 5 HIBDRN COc1cc(OC2CC2)ccc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000479795676 895098752 /nfs/dbraw/zinc/09/87/52/895098752.db2.gz WRDKBPRMIBBKRG-HXUWFJFHSA-N 0 0 400.456 4.032 20 5 HIBDRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000505282043 913940056 /nfs/dbraw/zinc/94/00/56/913940056.db2.gz VICKZIWJIYJYNG-UHFFFAOYSA-N 0 0 416.441 4.477 20 5 HIBDRN CCc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1C(CC)CC ZINC000479862949 895200846 /nfs/dbraw/zinc/20/08/46/895200846.db2.gz KQFZKAIKJFRKTN-UHFFFAOYSA-N 0 0 414.506 4.398 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc([N+](=O)[O-])c1C ZINC000479878485 895223994 /nfs/dbraw/zinc/22/39/94/895223994.db2.gz XHFFSPBAOWUGQJ-UHFFFAOYSA-N 0 0 411.389 4.277 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2)cs1 ZINC000479916220 895264665 /nfs/dbraw/zinc/26/46/65/895264665.db2.gz HJPKVXBQLRPMBI-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000505293973 913953411 /nfs/dbraw/zinc/95/34/11/913953411.db2.gz PDEZZKCYGHDIOB-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)cc([N+](=O)[O-])c1C ZINC000479974501 895328105 /nfs/dbraw/zinc/32/81/05/895328105.db2.gz GFKHTUOQNOFAHT-UHFFFAOYSA-N 0 0 414.458 4.278 20 5 HIBDRN Cc1c(C)c(C)c(C[S@](=O)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1C ZINC000480003442 895355795 /nfs/dbraw/zinc/35/57/95/895355795.db2.gz HOFAPMCVMBGIFI-MUUNZHRXSA-N 0 0 403.500 4.452 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000480027186 895376472 /nfs/dbraw/zinc/37/64/72/895376472.db2.gz TTYUREBDZZZGJM-HNNXBMFYSA-N 0 0 404.426 4.095 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@@H](C)CO1 ZINC000480041582 895389084 /nfs/dbraw/zinc/38/90/84/895389084.db2.gz HLADURNXXWMYHK-JTSKRJEESA-N 0 0 409.486 4.106 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@H](C)CO2)c1 ZINC000480065185 895413747 /nfs/dbraw/zinc/41/37/47/895413747.db2.gz WLWWIJIYGLNMDY-WZONZLPQSA-N 0 0 423.513 4.414 20 5 HIBDRN C[C@H]1CO[C@H](c2ccccc2Cl)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000480065716 895415648 /nfs/dbraw/zinc/41/56/48/895415648.db2.gz XBZRCJAFOFLISL-SJCJKPOMSA-N 0 0 400.822 4.265 20 5 HIBDRN Cc1c(CNC(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000480066965 895416537 /nfs/dbraw/zinc/41/65/37/895416537.db2.gz FZRQHMVHNDAOAB-GOSISDBHSA-N 0 0 423.391 4.205 20 5 HIBDRN Cc1c(CNC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000480073741 895423971 /nfs/dbraw/zinc/42/39/71/895423971.db2.gz VFILSYIVTZVUCS-UHFFFAOYSA-N 0 0 422.460 4.392 20 5 HIBDRN CC(C)(C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1ccccc1[N+](=O)[O-] ZINC000480099670 895465671 /nfs/dbraw/zinc/46/56/71/895465671.db2.gz NDJJTMYSIWCZLA-UHFFFAOYSA-N 0 0 419.363 4.111 20 5 HIBDRN CCC(=O)c1ccc(N[C@H](CCO)c2ccccc2Br)c([N+](=O)[O-])c1 ZINC000480106623 895476691 /nfs/dbraw/zinc/47/66/91/895476691.db2.gz DWWGNEFEVBQRGD-OAHLLOKOSA-N 0 0 407.264 4.486 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)cc(=O)[nH]1 ZINC000480128669 895504317 /nfs/dbraw/zinc/50/43/17/895504317.db2.gz VPSNSHKZTWFUSH-UHFFFAOYSA-N 0 0 419.441 4.262 20 5 HIBDRN Cc1cc([C@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CCO2)ccc1F ZINC000480295517 895701517 /nfs/dbraw/zinc/70/15/17/895701517.db2.gz WROVGRGWYOXGPA-OAQYLSRUSA-N 0 0 415.465 4.148 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000480496315 895867450 /nfs/dbraw/zinc/86/74/50/895867450.db2.gz CLTPSPAJXPVKAX-NSHDSACASA-N 0 0 408.838 4.231 20 5 HIBDRN Cc1c(Br)c(N2CCC[C@]3(C2)OCc2ccccc23)ncc1[N+](=O)[O-] ZINC000480506217 895873869 /nfs/dbraw/zinc/87/38/69/895873869.db2.gz NHEQMMONVLVAIM-GOSISDBHSA-N 0 0 404.264 4.087 20 5 HIBDRN Cc1c(Br)c(Oc2cccc(Oc3cnccn3)c2)ncc1[N+](=O)[O-] ZINC000480584958 895946153 /nfs/dbraw/zinc/94/61/53/895946153.db2.gz SSHTWMRSRFNXTJ-UHFFFAOYSA-N 0 0 403.192 4.435 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc([N+](=O)[O-])c1C ZINC000480631055 896001469 /nfs/dbraw/zinc/00/14/69/896001469.db2.gz PBCLWUXQDPABCZ-UHFFFAOYSA-N 0 0 419.437 4.094 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000480641242 896010654 /nfs/dbraw/zinc/01/06/54/896010654.db2.gz AWLMYWCWSHRWRS-UHFFFAOYSA-N 0 0 421.563 4.062 20 5 HIBDRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000480689456 896050602 /nfs/dbraw/zinc/05/06/02/896050602.db2.gz MZHMHJGTFWWNGQ-LBPRGKRZSA-N 0 0 409.255 4.034 20 5 HIBDRN O=C(Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000480689597 896050914 /nfs/dbraw/zinc/05/09/14/896050914.db2.gz XPLNWEKNPWRTNX-UHFFFAOYSA-N 0 0 405.439 4.285 20 5 HIBDRN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000480739203 896100853 /nfs/dbraw/zinc/10/08/53/896100853.db2.gz MCHGPGPIXGRNRJ-LBPRGKRZSA-N 0 0 402.394 4.048 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)c1[N+](=O)[O-] ZINC000480756360 896118559 /nfs/dbraw/zinc/11/85/59/896118559.db2.gz KAJIHYGQOJYZHH-UHFFFAOYSA-N 0 0 416.421 4.355 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2cc(Br)ccc2C1 ZINC000480823888 896196545 /nfs/dbraw/zinc/19/65/45/896196545.db2.gz BLWXMRSMFRXBJF-UHFFFAOYSA-N 0 0 407.289 4.034 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1NCCCc1ccccc1 ZINC000480824803 896199097 /nfs/dbraw/zinc/19/90/97/896199097.db2.gz VSHZGIKAQCFQSL-UHFFFAOYSA-N 0 0 407.474 4.173 20 5 HIBDRN COc1cc(C(=O)Nc2cncc(Cl)c2Cl)c([N+](=O)[O-])cc1OC(F)F ZINC000480827015 896201172 /nfs/dbraw/zinc/20/11/72/896201172.db2.gz GZFHCQSGZMCPMP-UHFFFAOYSA-N 0 0 408.144 4.159 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(Br)cn1 ZINC000480836989 896211429 /nfs/dbraw/zinc/21/14/29/896211429.db2.gz CWAUEGPINVQEOD-GFCCVEGCSA-N 0 0 419.279 4.161 20 5 HIBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC[C@H](C2CC2)C1 ZINC000480871600 896233324 /nfs/dbraw/zinc/23/33/24/896233324.db2.gz CZLVNGQKQNRVDX-HNNXBMFYSA-N 0 0 411.424 4.089 20 5 HIBDRN Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)s2)cs1 ZINC000480924993 896280438 /nfs/dbraw/zinc/28/04/38/896280438.db2.gz HXDBKZRDFMKXBT-SNVBAGLBSA-N 0 0 409.514 4.128 20 5 HIBDRN O=[N+]([O-])c1cnc(N[C@@H](CO)c2c(Cl)cccc2Cl)c(Br)c1 ZINC000481072530 896392376 /nfs/dbraw/zinc/39/23/76/896392376.db2.gz ODCRAQZAGUCQFP-NSHDSACASA-N 0 0 407.051 4.205 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000505399000 914064566 /nfs/dbraw/zinc/06/45/66/914064566.db2.gz BGIOKQCLHYLKGB-FQEVSTJZSA-N 0 0 403.866 4.388 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000505404049 914068775 /nfs/dbraw/zinc/06/87/75/914068775.db2.gz RVNDZJKXKXQVNM-OAHLLOKOSA-N 0 0 400.378 4.359 20 5 HIBDRN Cc1ccc(-n2c(SCCn3ccc([N+](=O)[O-])n3)nnc2-c2ccccc2F)cc1 ZINC000481258677 896609532 /nfs/dbraw/zinc/60/95/32/896609532.db2.gz MRNSADVROFLMQH-UHFFFAOYSA-N 0 0 424.461 4.279 20 5 HIBDRN O=C(Nc1nc2cc(F)c(Br)cc2s1)c1csc([N+](=O)[O-])c1 ZINC000481280105 896626720 /nfs/dbraw/zinc/62/67/20/896626720.db2.gz BUGDQUHNKOKKHX-UHFFFAOYSA-N 0 0 402.226 4.420 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2)cc1C ZINC000481324470 896681639 /nfs/dbraw/zinc/68/16/39/896681639.db2.gz PBAHRKKLHHPTAU-UHFFFAOYSA-N 0 0 415.515 4.494 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481339509 896704983 /nfs/dbraw/zinc/70/49/83/896704983.db2.gz MFEKRWUGLQKVDJ-JJRVBVJISA-N 0 0 417.535 4.049 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)NC2CCC(C)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481347322 896718703 /nfs/dbraw/zinc/71/87/03/896718703.db2.gz XPJARIJXEPMFBF-NPCAHTBFSA-N 0 0 417.535 4.049 20 5 HIBDRN CCS[C@H](C)c1noc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)n1 ZINC000481359715 896736317 /nfs/dbraw/zinc/73/63/17/896736317.db2.gz QGMCANFMDQDZAE-LLVKDONJSA-N 0 0 420.520 4.363 20 5 HIBDRN CCC[C@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000481406284 896812645 /nfs/dbraw/zinc/81/26/45/896812645.db2.gz QBVDMUDKYOKSNE-IBGZPJMESA-N 0 0 419.547 4.303 20 5 HIBDRN COC(=O)c1ccc([C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000481424249 896826341 /nfs/dbraw/zinc/82/63/41/896826341.db2.gz LQBOALYFWVHGDA-OAHLLOKOSA-N 0 0 402.756 4.428 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC2(CCOCC2)c2ccccc21 ZINC000481431022 896832234 /nfs/dbraw/zinc/83/22/34/896832234.db2.gz HTTQVPPQPRAIGY-UHFFFAOYSA-N 0 0 417.259 4.066 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000481434944 896835277 /nfs/dbraw/zinc/83/52/77/896835277.db2.gz CEGTYHHHJRTULN-UHFFFAOYSA-N 0 0 414.727 4.318 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000481454040 896849055 /nfs/dbraw/zinc/84/90/55/896849055.db2.gz IEBCWDAVIWZLJD-CQSZACIVSA-N 0 0 416.861 4.111 20 5 HIBDRN Cc1c(CNC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000481469309 896859645 /nfs/dbraw/zinc/85/96/45/896859645.db2.gz TZWJDEDQXZOERR-HNNXBMFYSA-N 0 0 405.454 4.377 20 5 HIBDRN Cc1c(CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)cccc1[N+](=O)[O-] ZINC000481473024 896860705 /nfs/dbraw/zinc/86/07/05/896860705.db2.gz LYBOKUKRYUGYLA-UHFFFAOYSA-N 0 0 416.787 4.089 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000481480269 896865239 /nfs/dbraw/zinc/86/52/39/896865239.db2.gz FFQYPVCNFUKQGO-GFCCVEGCSA-N 0 0 411.384 4.067 20 5 HIBDRN Cc1sc2ncnc(SCCC(=O)NCc3cccc([N+](=O)[O-])c3C)c2c1C ZINC000481501900 896875762 /nfs/dbraw/zinc/87/57/62/896875762.db2.gz MTZZAZATHRLVRB-UHFFFAOYSA-N 0 0 416.528 4.323 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000481553888 896922961 /nfs/dbraw/zinc/92/29/61/896922961.db2.gz FGCGKIDCYKKPBY-HNNXBMFYSA-N 0 0 411.336 4.040 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(Cl)c1F ZINC000481560150 896932527 /nfs/dbraw/zinc/93/25/27/896932527.db2.gz HCIHISUZOVZNGN-VIFPVBQESA-N 0 0 412.826 4.293 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(Cl)c1F ZINC000481566202 896944757 /nfs/dbraw/zinc/94/47/57/896944757.db2.gz RHTUJKHATBWFDL-UHFFFAOYSA-N 0 0 420.702 4.445 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000481600193 896979514 /nfs/dbraw/zinc/97/95/14/896979514.db2.gz REEYDZYAEJGTJK-DJJJIMSYSA-N 0 0 421.856 4.096 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000481645796 897031371 /nfs/dbraw/zinc/03/13/71/897031371.db2.gz XNLKXOQOKYVIOA-INIZCTEOSA-N 0 0 412.442 4.178 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000481645797 897031669 /nfs/dbraw/zinc/03/16/69/897031669.db2.gz XNLKXOQOKYVIOA-MRXNPFEDSA-N 0 0 412.442 4.178 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000481685616 897069604 /nfs/dbraw/zinc/06/96/04/897069604.db2.gz JMHPHAAMNVITGA-KRWDZBQOSA-N 0 0 405.241 4.155 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000481714410 897106392 /nfs/dbraw/zinc/10/63/92/897106392.db2.gz UILKFIGCPKWAAD-UHFFFAOYSA-N 0 0 411.487 4.235 20 5 HIBDRN CCOc1cc(N2CCN([C@@H](C)c3ncc(C(C)(C)C)o3)CC2)ccc1[N+](=O)[O-] ZINC000481772846 897156476 /nfs/dbraw/zinc/15/64/76/897156476.db2.gz CQJREFWKOCKBNE-HNNXBMFYSA-N 0 0 402.495 4.162 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000481771232 897156752 /nfs/dbraw/zinc/15/67/52/897156752.db2.gz 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KUAPAURHOYIWMK-MGPUTAFESA-N 0 0 414.458 4.019 20 5 HIBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@](C)(C(F)(F)F)O1 ZINC000505717173 914398262 /nfs/dbraw/zinc/39/82/62/914398262.db2.gz QUWDHSYDSWAHLZ-AWEZNQCLSA-N 0 0 414.302 4.186 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CSc3nnc(-c4ccccc4F)n3C3CC3)nc2c1 ZINC000484508526 900001000 /nfs/dbraw/zinc/00/10/00/900001000.db2.gz XABJKTMPWNWUGK-UHFFFAOYSA-N 0 0 410.434 4.496 20 5 HIBDRN O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000484532066 900018666 /nfs/dbraw/zinc/01/86/66/900018666.db2.gz OVIQCWIJVURRID-UHFFFAOYSA-N 0 0 424.360 4.014 20 5 HIBDRN Cc1ccccc1-c1csc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC000484535103 900021242 /nfs/dbraw/zinc/02/12/42/900021242.db2.gz OFVSGWIWSDRBPY-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000505722932 914403785 /nfs/dbraw/zinc/40/37/85/914403785.db2.gz LDAKNSMWWOLGMQ-INIZCTEOSA-N 0 0 406.426 4.279 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000484600416 900061140 /nfs/dbraw/zinc/06/11/40/900061140.db2.gz CSDNLXAJHFKLLE-FZMZJTMJSA-N 0 0 406.426 4.136 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2c3c(ccc2Cl)OCC3)cc1[N+](=O)[O-] ZINC000484602870 900062987 /nfs/dbraw/zinc/06/29/87/900062987.db2.gz HLICGAQZDCHZCW-UHFFFAOYSA-N 0 0 408.863 4.064 20 5 HIBDRN COC(=O)[C@@H]1CC12CCN(C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)CC2 ZINC000505730143 914408978 /nfs/dbraw/zinc/40/89/78/914408978.db2.gz UNDBXJYHMWMKNE-INIZCTEOSA-N 0 0 420.531 4.148 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2nc(-c3ccccc3F)co2)cc1[N+](=O)[O-] ZINC000484667115 900110243 /nfs/dbraw/zinc/11/02/43/900110243.db2.gz WTKUHGFTFYQUTN-UHFFFAOYSA-N 0 0 417.418 4.269 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCC(C(F)F)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000484737593 900162297 /nfs/dbraw/zinc/16/22/97/900162297.db2.gz JOSAQBXCLLDBAJ-CYBMUJFWSA-N 0 0 404.417 4.280 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCCc4c[nH]nc43)cc2[N+](=O)[O-])n1 ZINC000484744635 900166993 /nfs/dbraw/zinc/16/69/93/900166993.db2.gz ZHFRYTIAHVQRJX-CYBMUJFWSA-N 0 0 415.500 4.041 20 5 HIBDRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000484767069 900181912 /nfs/dbraw/zinc/18/19/12/900181912.db2.gz AKXIBEFGVDPDEP-UHFFFAOYSA-N 0 0 423.347 4.195 20 5 HIBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000484819339 900221936 /nfs/dbraw/zinc/22/19/36/900221936.db2.gz JMCRCLKMUSLGLB-GOSISDBHSA-N 0 0 414.259 4.483 20 5 HIBDRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000484862614 900252876 /nfs/dbraw/zinc/25/28/76/900252876.db2.gz ZQNAMRJWWIIHOF-UHFFFAOYSA-N 0 0 412.320 4.383 20 5 HIBDRN Cc1c2ccccc2oc1[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000484941175 900310828 /nfs/dbraw/zinc/31/08/28/900310828.db2.gz XIECKOKSZXILMZ-QRWLVFNGSA-N 0 0 423.469 4.281 20 5 HIBDRN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000484966409 900326908 /nfs/dbraw/zinc/32/69/08/900326908.db2.gz BZGHCOVBEKWVTB-OAHLLOKOSA-N 0 0 401.488 4.059 20 5 HIBDRN CC(C)(C)Oc1cc(N2CCC(C(=O)NCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000484984981 900341027 /nfs/dbraw/zinc/34/10/27/900341027.db2.gz PLISGUPCNDQQNJ-UHFFFAOYSA-N 0 0 411.502 4.305 20 5 HIBDRN CCN(Cc1ccc(OC)c(OC)c1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000485045169 900379386 /nfs/dbraw/zinc/37/93/86/900379386.db2.gz YWXGHXFDHKYPSG-AWEZNQCLSA-N 0 0 412.446 4.245 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1coc(-c2ccc(Br)cc2F)n1 ZINC000485044673 900380051 /nfs/dbraw/zinc/38/00/51/900380051.db2.gz JGXMHFRWXBQRMC-UHFFFAOYSA-N 0 0 406.167 4.404 20 5 HIBDRN CCOc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000485053423 900382470 /nfs/dbraw/zinc/38/24/70/900382470.db2.gz LOAOVJCSIQHZAI-OLZOCXBDSA-N 0 0 404.385 4.195 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)cc1OC ZINC000485057905 900386176 /nfs/dbraw/zinc/38/61/76/900386176.db2.gz NFBRQOOMUSBIPX-UHFFFAOYSA-N 0 0 410.430 4.057 20 5 HIBDRN CC[C@@H]1Oc2cc([C@@H](C)Nc3ncc([N+](=O)[O-])cc3Br)ccc2NC1=O ZINC000485138752 900439935 /nfs/dbraw/zinc/43/99/35/900439935.db2.gz BAKLJJUVQOSJKQ-OTYXRUKQSA-N 0 0 421.251 4.035 20 5 HIBDRN COC(=O)c1c(F)ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1F ZINC000485146423 900446055 /nfs/dbraw/zinc/44/60/55/900446055.db2.gz KSMGADFIMFSHQE-UHFFFAOYSA-N 0 0 416.789 4.044 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(C(=O)OC)c1F ZINC000485156599 900455502 /nfs/dbraw/zinc/45/55/02/900455502.db2.gz ZDOKGPMCKIAQMH-UHFFFAOYSA-N 0 0 410.398 4.414 20 5 HIBDRN O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000505780154 914446094 /nfs/dbraw/zinc/44/60/94/914446094.db2.gz WZLIHEMTRCDXIN-UHFFFAOYSA-N 0 0 417.425 4.069 20 5 HIBDRN Cc1cc(-c2noc(CS(=O)(=O)[C@@H](C)c3cc([N+](=O)[O-])ccc3C)n2)ccc1F ZINC000485229553 900514645 /nfs/dbraw/zinc/51/46/45/900514645.db2.gz IZCYRGAGJWMMIU-ZDUSSCGKSA-N 0 0 419.434 4.077 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000485233632 900518304 /nfs/dbraw/zinc/51/83/04/900518304.db2.gz XGKJFGDZGRHDNY-INIZCTEOSA-N 0 0 424.501 4.454 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000485274442 900554155 /nfs/dbraw/zinc/55/41/55/900554155.db2.gz QPIKRRGONSMQBK-ZDUSSCGKSA-N 0 0 421.425 4.043 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000505788799 914454060 /nfs/dbraw/zinc/45/40/60/914454060.db2.gz XQQFHRATMBWDJF-UHFFFAOYSA-N 0 0 414.531 4.412 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c2c1cccc2C ZINC000485285566 900563560 /nfs/dbraw/zinc/56/35/60/900563560.db2.gz PFLMSRYJAFIVFS-UHFFFAOYSA-N 0 0 413.499 4.096 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1ccc(Oc2ccccc2)nn1 ZINC000485307485 900586485 /nfs/dbraw/zinc/58/64/85/900586485.db2.gz YETXQFUPAWMIMN-HNNXBMFYSA-N 0 0 413.455 4.162 20 5 HIBDRN O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000505814520 914472764 /nfs/dbraw/zinc/47/27/64/914472764.db2.gz WQFMNDVISLUOLZ-UHFFFAOYSA-N 0 0 402.366 4.241 20 5 HIBDRN CC(C)CC(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485392786 900688497 /nfs/dbraw/zinc/68/84/97/900688497.db2.gz IFCBMBLSKMJOAP-UHFFFAOYSA-N 0 0 400.454 4.245 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc4ccccn43)C2)nc1-c1ccc(F)cc1 ZINC000485394126 900690706 /nfs/dbraw/zinc/69/07/06/900690706.db2.gz FOXGFYMQMOOMFP-INIZCTEOSA-N 0 0 418.432 4.223 20 5 HIBDRN CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485399321 900695688 /nfs/dbraw/zinc/69/56/88/900695688.db2.gz BJPXVMHAFXCKDL-JXFKEZNVSA-N 0 0 411.437 4.345 20 5 HIBDRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485403266 900702346 /nfs/dbraw/zinc/70/23/46/900702346.db2.gz WUYDMOCDRZXVRR-HNNXBMFYSA-N 0 0 414.481 4.175 20 5 HIBDRN Cn1c(CCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)nnc1-c1ccccc1 ZINC000485419092 900717313 /nfs/dbraw/zinc/71/73/13/900717313.db2.gz XRYYTXGAUIBXMV-UHFFFAOYSA-N 0 0 418.432 4.246 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N(CCc1ccccn1)Cc1cccnc1 ZINC000485432045 900728116 /nfs/dbraw/zinc/72/81/16/900728116.db2.gz BJWYQVLXYGCYIS-UHFFFAOYSA-N 0 0 413.275 4.397 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1cccc(F)c1F ZINC000485479793 900772627 /nfs/dbraw/zinc/77/26/27/900772627.db2.gz JPADFNLAGAZYFQ-UHFFFAOYSA-N 0 0 420.359 4.343 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1cccnc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000485480832 900773771 /nfs/dbraw/zinc/77/37/71/900773771.db2.gz OFPFQXHWROBWQY-HSZRJFAPSA-N 0 0 416.481 4.112 20 5 HIBDRN Cc1cc(Br)ccc1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000485483728 900774996 /nfs/dbraw/zinc/77/49/96/900774996.db2.gz WRGACDDYCYINMB-UHFFFAOYSA-N 0 0 403.276 4.399 20 5 HIBDRN Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000485483951 900776179 /nfs/dbraw/zinc/77/61/79/900776179.db2.gz YRVZTRGRWOFZEU-BXUZGUMPSA-N 0 0 414.409 4.121 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCO[C@H](C2CC2)C1 ZINC000485500238 900789752 /nfs/dbraw/zinc/78/97/52/900789752.db2.gz YGZWXEXTVWOZJK-FQEVSTJZSA-N 0 0 415.877 4.111 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)c1[N+](=O)[O-] ZINC000485516496 900801365 /nfs/dbraw/zinc/80/13/65/900801365.db2.gz NJHHLGLNESNCCT-UHFFFAOYSA-N 0 0 403.851 4.316 20 5 HIBDRN COc1ccc2cc(CN(C)C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)ccc2c1 ZINC000485557351 900831010 /nfs/dbraw/zinc/83/10/10/900831010.db2.gz UPOPYYMAHRHOBR-UHFFFAOYSA-N 0 0 400.381 4.236 20 5 HIBDRN O=C(NCc1ccc(F)cc1Br)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485581192 900846596 /nfs/dbraw/zinc/84/65/96/900846596.db2.gz PYQMQBYHHLVHTG-UHFFFAOYSA-N 0 0 419.153 4.028 20 5 HIBDRN Cn1ccnc1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000485619578 900874973 /nfs/dbraw/zinc/87/49/73/900874973.db2.gz LBSFZXTYFUFESD-UHFFFAOYSA-N 0 0 402.863 4.063 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000505830689 914485358 /nfs/dbraw/zinc/48/53/58/914485358.db2.gz GLAYVPHYWWKNLU-CQSZACIVSA-N 0 0 421.354 4.438 20 5 HIBDRN COc1cc(OCC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000485625051 900879670 /nfs/dbraw/zinc/87/96/70/900879670.db2.gz ILXSENCSQYQYKR-XUVXKRRUSA-N 0 0 410.470 4.167 20 5 HIBDRN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc2ncsc2c1 ZINC000485641318 900892739 /nfs/dbraw/zinc/89/27/39/900892739.db2.gz GCFGBNBRYRAUKO-VIFPVBQESA-N 0 0 406.261 4.458 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc3ncsc3c2)cc1OC ZINC000485653144 900905197 /nfs/dbraw/zinc/90/51/97/900905197.db2.gz FXMJUBWMFUMZMR-LLVKDONJSA-N 0 0 401.444 4.103 20 5 HIBDRN Cc1ccccc1[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C1CC1 ZINC000485658757 900910015 /nfs/dbraw/zinc/91/00/15/900910015.db2.gz ASLAXKNCBUHVRG-IBGZPJMESA-N 0 0 423.498 4.064 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)ccc1[N+](=O)[O-] ZINC000505836790 914490104 /nfs/dbraw/zinc/49/01/04/914490104.db2.gz FUKWIIJYXBPLOB-UHFFFAOYSA-N 0 0 416.484 4.475 20 5 HIBDRN CC[C@@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000485681783 900932954 /nfs/dbraw/zinc/93/29/54/900932954.db2.gz ISVLERSJPZZRDL-GFCCVEGCSA-N 0 0 413.247 4.224 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Br)cc3nc(C)oc32)cc([N+](=O)[O-])c1C ZINC000485697060 900947421 /nfs/dbraw/zinc/94/74/21/900947421.db2.gz OHAUIPSMRXUSTH-UHFFFAOYSA-N 0 0 420.219 4.376 20 5 HIBDRN COc1c(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])oc2ccccc21 ZINC000485698808 900948665 /nfs/dbraw/zinc/94/86/65/900948665.db2.gz WPKXYIKMASZKJF-UHFFFAOYSA-N 0 0 411.233 4.104 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000485742099 900996908 /nfs/dbraw/zinc/99/69/08/900996908.db2.gz HLIKHWHAASFVEI-GJZGRUSLSA-N 0 0 415.515 4.178 20 5 HIBDRN O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485745012 901000092 /nfs/dbraw/zinc/00/00/92/901000092.db2.gz QRRBLJVDXWHODI-MDNUFGMLSA-N 0 0 400.434 4.242 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC000485755190 901011979 /nfs/dbraw/zinc/01/19/79/901011979.db2.gz PYDSHAQTHWJULB-ZDUSSCGKSA-N 0 0 401.488 4.231 20 5 HIBDRN CSc1cccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1[N+](=O)[O-] ZINC000485757891 901014153 /nfs/dbraw/zinc/01/41/53/901014153.db2.gz OBDZIKBFJCEMRG-UHFFFAOYSA-N 0 0 407.879 4.059 20 5 HIBDRN CSc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1[N+](=O)[O-] ZINC000485758349 901016230 /nfs/dbraw/zinc/01/62/30/901016230.db2.gz PPLDUYNDCJDMIP-UHFFFAOYSA-N 0 0 415.452 4.421 20 5 HIBDRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485758042 901016284 /nfs/dbraw/zinc/01/62/84/901016284.db2.gz KRLFWYFTFMAJHS-RQJHMYQMSA-N 0 0 401.204 4.222 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000485757995 901016568 /nfs/dbraw/zinc/01/65/68/901016568.db2.gz KNBSGFRCABDTFG-QGZVFWFLSA-N 0 0 416.499 4.438 20 5 HIBDRN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485762224 901019095 /nfs/dbraw/zinc/01/90/95/901019095.db2.gz HJTFJVFSOKSYQI-IRLDBZIGSA-N 0 0 412.486 4.497 20 5 HIBDRN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000485762875 901019223 /nfs/dbraw/zinc/01/92/23/901019223.db2.gz RYWJCDIHZDVZJH-LBPRGKRZSA-N 0 0 424.682 4.019 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)n(C(C)(C)C)n1 ZINC000485810730 901059677 /nfs/dbraw/zinc/05/96/77/901059677.db2.gz ARBQRIXQOMBZNH-UHFFFAOYSA-N 0 0 410.478 4.282 20 5 HIBDRN COc1ccc(CSCC(=O)NCC(C)(C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000485813217 901061648 /nfs/dbraw/zinc/06/16/48/901061648.db2.gz FUCPWGOFXRPDID-UHFFFAOYSA-N 0 0 406.479 4.070 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000485855520 901098777 /nfs/dbraw/zinc/09/87/77/901098777.db2.gz PCCCJBKVYVWOJL-UHFFFAOYSA-N 0 0 400.822 4.068 20 5 HIBDRN O=C(c1ccccc1)C1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000485891235 901124331 /nfs/dbraw/zinc/12/43/31/901124331.db2.gz BLAGZKPKOQHYCS-UHFFFAOYSA-N 0 0 423.288 4.154 20 5 HIBDRN Cc1cc(F)ccc1CN(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000485897053 901129236 /nfs/dbraw/zinc/12/92/36/901129236.db2.gz IXUDQPRKEJXPPW-UHFFFAOYSA-N 0 0 400.328 4.256 20 5 HIBDRN C[S@@](=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 ZINC000485897469 901129256 /nfs/dbraw/zinc/12/92/56/901129256.db2.gz NPWCJROWCUVDHN-GDLZYMKVSA-N 0 0 410.451 4.164 20 5 HIBDRN CC[C@](C)(NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000485906691 901136159 /nfs/dbraw/zinc/13/61/59/901136159.db2.gz LANIZBHDIJTERB-ZDUSSCGKSA-N 0 0 404.311 4.239 20 5 HIBDRN Cc1nnc(-c2cccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])c2)o1 ZINC000485914316 901140740 /nfs/dbraw/zinc/14/07/40/901140740.db2.gz PPDKEGDTIARFKA-UHFFFAOYSA-N 0 0 409.221 4.030 20 5 HIBDRN Cc1nnc(Sc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c(C)c2)s1 ZINC000505866686 914512985 /nfs/dbraw/zinc/51/29/85/914512985.db2.gz UEFFJRLVGABPFM-UHFFFAOYSA-N 0 0 400.485 4.396 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(Br)c(C)c2)c(C)c([N+](=O)[O-])c1 ZINC000485938200 901159626 /nfs/dbraw/zinc/15/96/26/901159626.db2.gz VHMILHAFCMASGJ-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN Cc1csc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1Br ZINC000485956941 901174136 /nfs/dbraw/zinc/17/41/36/901174136.db2.gz QMCJGMQOCRXKEM-UHFFFAOYSA-N 0 0 403.685 4.353 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c(C)c([N+](=O)[O-])c1 ZINC000485956644 901174220 /nfs/dbraw/zinc/17/42/20/901174220.db2.gz NWTUOPOZAOXLBT-UHFFFAOYSA-N 0 0 400.284 4.100 20 5 HIBDRN Cc1nc2sc3c(c2c(N2CCC(n4ccc([N+](=O)[O-])n4)CC2)n1)CCCCC3 ZINC000486001615 901216977 /nfs/dbraw/zinc/21/69/77/901216977.db2.gz HDZLCTZBPCQUNO-UHFFFAOYSA-N 0 0 412.519 4.215 20 5 HIBDRN CC(=O)Nc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(C(F)(F)F)c1 ZINC000486014325 901222770 /nfs/dbraw/zinc/22/27/70/901222770.db2.gz GPDSHPCJEYCFPK-UHFFFAOYSA-N 0 0 421.375 4.377 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Br ZINC000486079383 901270365 /nfs/dbraw/zinc/27/03/65/901270365.db2.gz STYKOFRJIFTZNH-UHFFFAOYSA-N 0 0 420.263 4.218 20 5 HIBDRN O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486088216 901277151 /nfs/dbraw/zinc/27/71/51/901277151.db2.gz ICXGYEZUMGLBKG-SFHVURJKSA-N 0 0 410.470 4.395 20 5 HIBDRN CSc1cccc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000486106143 901293307 /nfs/dbraw/zinc/29/33/07/901293307.db2.gz BFWLYLVORSWYLR-UHFFFAOYSA-N 0 0 419.934 4.318 20 5 HIBDRN Cc1cc2c(cc1NC(=O)c1cc(OCc3ccccc3)ccc1[N+](=O)[O-])OCO2 ZINC000486114196 901299674 /nfs/dbraw/zinc/29/96/74/901299674.db2.gz ABWIZLSVYGOADD-UHFFFAOYSA-N 0 0 406.394 4.463 20 5 HIBDRN COc1cc(CNc2ccc(C(=O)N3CCCCC3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000486121864 901309687 /nfs/dbraw/zinc/30/96/87/901309687.db2.gz CPIPNGUSYVBIPX-UHFFFAOYSA-N 0 0 403.866 4.495 20 5 HIBDRN Cn1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nc2c1cccc2Cl ZINC000486129931 901317914 /nfs/dbraw/zinc/31/79/14/901317914.db2.gz QYEFDLALWXRLAA-UHFFFAOYSA-N 0 0 415.656 4.211 20 5 HIBDRN Cc1csc([C@H](C)CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 ZINC000486152435 901339972 /nfs/dbraw/zinc/33/99/72/901339972.db2.gz LJQLLMRWMMQSDL-CQSZACIVSA-N 0 0 411.483 4.472 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCSc2ccncc21 ZINC000486207198 901390405 /nfs/dbraw/zinc/39/04/05/901390405.db2.gz VUWAXTGMUAZSMF-UHFFFAOYSA-N 0 0 407.451 4.321 20 5 HIBDRN CSc1cccc(C(=O)NCCOc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000486222248 901405623 /nfs/dbraw/zinc/40/56/23/901405623.db2.gz HHMNHFSVKHXUTC-UHFFFAOYSA-N 0 0 400.378 4.144 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486238868 901420388 /nfs/dbraw/zinc/42/03/88/901420388.db2.gz DXVCFAUJQHXMNB-UHFFFAOYSA-N 0 0 421.906 4.461 20 5 HIBDRN Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)c1 ZINC000486237975 901420666 /nfs/dbraw/zinc/42/06/66/901420666.db2.gz RNHSTFFGNSZXPF-UHFFFAOYSA-N 0 0 424.501 4.191 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](C)Cc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000486245056 901427067 /nfs/dbraw/zinc/42/70/67/901427067.db2.gz VZTYVTZAAIIKPO-LLVKDONJSA-N 0 0 409.305 4.440 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000486248880 901432662 /nfs/dbraw/zinc/43/26/62/901432662.db2.gz GCFQGAJKTAZLRF-UHFFFAOYSA-N 0 0 421.478 4.499 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1ccccc1C ZINC000486261144 901443601 /nfs/dbraw/zinc/44/36/01/901443601.db2.gz MAEADTFTDJUDGH-UHFFFAOYSA-N 0 0 402.516 4.349 20 5 HIBDRN COC(=O)c1c(C)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Br ZINC000486288299 901469946 /nfs/dbraw/zinc/46/99/46/901469946.db2.gz BMSWUPRSQMTGDA-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])n(-c2cccc(C(F)(F)F)c2)n1 ZINC000486294258 901475235 /nfs/dbraw/zinc/47/52/35/901475235.db2.gz VPNIKWKTEZQIRE-UHFFFAOYSA-N 0 0 420.347 4.125 20 5 HIBDRN COc1ccc(CNC(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000486312800 901491983 /nfs/dbraw/zinc/49/19/83/901491983.db2.gz XHXHOVSXYDENMQ-MRXNPFEDSA-N 0 0 401.438 4.222 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000486339713 901514437 /nfs/dbraw/zinc/51/44/37/901514437.db2.gz AFJRTHBWHCIETM-UHFFFAOYSA-N 0 0 402.472 4.202 20 5 HIBDRN CCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cnn1-c1cccc(Cl)c1 ZINC000486413911 901573053 /nfs/dbraw/zinc/57/30/53/901573053.db2.gz ZVFVWVGVMKTMEW-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN CSc1cccc(C(=O)Nc2c(-c3ccncc3)nc3ccccn32)c1[N+](=O)[O-] ZINC000486427438 901585277 /nfs/dbraw/zinc/58/52/77/901585277.db2.gz XDEMGINFKKHKGA-UHFFFAOYSA-N 0 0 405.439 4.279 20 5 HIBDRN CCOc1cccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c1 ZINC000486469545 901630890 /nfs/dbraw/zinc/63/08/90/901630890.db2.gz CYRWJXVGYLWWNK-CQSZACIVSA-N 0 0 404.488 4.223 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000486471492 901632523 /nfs/dbraw/zinc/63/25/23/901632523.db2.gz IBIVHVZQXGHJKI-UHFFFAOYSA-N 0 0 419.547 4.008 20 5 HIBDRN C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000486527377 901678449 /nfs/dbraw/zinc/67/84/49/901678449.db2.gz OKNWVBGGLRRKKW-GFCCVEGCSA-N 0 0 422.466 4.094 20 5 HIBDRN CSc1cccc(C(=O)Nc2c(C)cnn2Cc2ccccc2F)c1[N+](=O)[O-] ZINC000486546320 901693512 /nfs/dbraw/zinc/69/35/12/901693512.db2.gz DWZBIIDKIRPRSH-UHFFFAOYSA-N 0 0 400.435 4.261 20 5 HIBDRN COc1nc(C)cc(C)c1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486548082 901695419 /nfs/dbraw/zinc/69/54/19/901695419.db2.gz QRRBDHZTZZDFDM-UHFFFAOYSA-N 0 0 421.453 4.124 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000486591766 901731492 /nfs/dbraw/zinc/73/14/92/901731492.db2.gz LIULWTUTJACMAV-AWEZNQCLSA-N 0 0 401.419 4.027 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(CC(C)(C)C)c2ccccc2)cc1OC ZINC000486598460 901735437 /nfs/dbraw/zinc/73/54/37/901735437.db2.gz IWYYPNKNIJJHJW-UHFFFAOYSA-N 0 0 416.474 4.322 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000486611530 901747919 /nfs/dbraw/zinc/74/79/19/901747919.db2.gz QVZNYXXYVXRRNG-JTQLQIEISA-N 0 0 414.409 4.161 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000486708624 901805574 /nfs/dbraw/zinc/80/55/74/901805574.db2.gz JNJZQBCUPAXKCQ-OLZOCXBDSA-N 0 0 418.293 4.451 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(F)cc1Cl ZINC000486724589 901815486 /nfs/dbraw/zinc/81/54/86/901815486.db2.gz OZGHXFQXVPPTDX-UHFFFAOYSA-N 0 0 412.870 4.098 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccc4scnc4c3)cc2)c(C)c1[N+](=O)[O-] ZINC000505921381 914568356 /nfs/dbraw/zinc/56/83/56/914568356.db2.gz QNSUXUCFNGVYCU-UHFFFAOYSA-N 0 0 407.455 4.318 20 5 HIBDRN CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000486758403 901833852 /nfs/dbraw/zinc/83/38/52/901833852.db2.gz CVLOQDCIXQWDRK-UHFFFAOYSA-N 0 0 405.886 4.439 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000486775071 901846202 /nfs/dbraw/zinc/84/62/02/901846202.db2.gz DGBXNFXRANZOFR-OAHLLOKOSA-N 0 0 404.426 4.042 20 5 HIBDRN O=C(Nc1ccnn1Cc1ccc(F)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486794228 901858938 /nfs/dbraw/zinc/85/89/38/901858938.db2.gz FAIZBORHGLEZBM-UHFFFAOYSA-N 0 0 423.429 4.355 20 5 HIBDRN C[S@@](=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 ZINC000486799392 901861679 /nfs/dbraw/zinc/86/16/79/901861679.db2.gz UWDOKRDZUDCCAV-SSEXGKCCSA-N 0 0 423.494 4.338 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000486805971 901864479 /nfs/dbraw/zinc/86/44/79/901864479.db2.gz SUDHFVJDERSIIP-CVEARBPZSA-N 0 0 421.563 4.156 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] ZINC000486828780 901879742 /nfs/dbraw/zinc/87/97/42/901879742.db2.gz REWZHJCEDZOMDI-QFIPXVFZSA-N 0 0 423.494 4.137 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2cccc(Cl)c2Br)cc([N+](=O)[O-])c1 ZINC000486831039 901882731 /nfs/dbraw/zinc/88/27/31/901882731.db2.gz DTXONQVDUPJEEX-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN COC(=O)c1cc(NC(=O)NCc2ccc3cc(OC)ccc3c2)c(C)c([N+](=O)[O-])c1 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ZINC000487983191 902506545 /nfs/dbraw/zinc/50/65/45/902506545.db2.gz UJJOYRZZUDLRKQ-STQMWFEESA-N 0 0 407.264 4.310 20 5 HIBDRN COCCCOc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000488011217 902531429 /nfs/dbraw/zinc/53/14/29/902531429.db2.gz YDGWPLNBNUTZNQ-UHFFFAOYSA-N 0 0 417.462 4.076 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCCOc2cc(F)ccc21 ZINC000488017187 902536539 /nfs/dbraw/zinc/53/65/39/902536539.db2.gz XIGZRMQEVWAUHE-INIZCTEOSA-N 0 0 407.829 4.143 20 5 HIBDRN Cc1cc(CSc2ncccc2C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000488020230 902538415 /nfs/dbraw/zinc/53/84/15/902538415.db2.gz AOPGXIMSNIXEEY-CQSZACIVSA-N 0 0 412.471 4.378 20 5 HIBDRN Cc1c(Br)c2ccccc2n1CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000488024172 902542480 /nfs/dbraw/zinc/54/24/80/902542480.db2.gz OQGAQQPXPJKQLR-GFCCVEGCSA-N 0 0 416.275 4.498 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2c[nH]cc2-c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000488033789 902551748 /nfs/dbraw/zinc/55/17/48/902551748.db2.gz KDJBLFWMWBZWRF-CQSZACIVSA-N 0 0 407.426 4.161 20 5 HIBDRN CC(C)(NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000488035568 902553681 /nfs/dbraw/zinc/55/36/81/902553681.db2.gz XAPYTPLIYZYGHF-RTBURBONSA-N 0 0 401.438 4.189 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)CC(C)C)cc1[N+](=O)[O-] ZINC000488076177 902586103 /nfs/dbraw/zinc/58/61/03/902586103.db2.gz DUESZCVOBDZJAQ-VGSWGCGISA-N 0 0 423.513 4.080 20 5 HIBDRN COc1cccc(OC)c1OC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488080494 902586909 /nfs/dbraw/zinc/58/69/09/902586909.db2.gz VNGQIJMCPINIBD-UHFFFAOYSA-N 0 0 409.442 4.208 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCOc2c(F)cccc21 ZINC000488080689 902587048 /nfs/dbraw/zinc/58/70/48/902587048.db2.gz XYRMRPLIIIWAOO-MRXNPFEDSA-N 0 0 407.829 4.143 20 5 HIBDRN CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000488081480 902587225 /nfs/dbraw/zinc/58/72/25/902587225.db2.gz YUKSUPRJEBGPAN-LBPRGKRZSA-N 0 0 409.364 4.162 20 5 HIBDRN O=[N+]([O-])c1cnc2ccccc2c1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000488082759 902589223 /nfs/dbraw/zinc/58/92/23/902589223.db2.gz DCXMRIMEAKZMIU-GOSISDBHSA-N 0 0 401.369 4.322 20 5 HIBDRN COc1ccc(CNC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000488085929 902591026 /nfs/dbraw/zinc/59/10/26/902591026.db2.gz DJRAJJWUNLWKQZ-MRXNPFEDSA-N 0 0 421.906 4.333 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)cc1[N+](=O)[O-] ZINC000488098916 902602806 /nfs/dbraw/zinc/60/28/06/902602806.db2.gz WTBFKHWLUCMVJJ-CQSZACIVSA-N 0 0 408.433 4.208 20 5 HIBDRN O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000488124429 902622465 /nfs/dbraw/zinc/62/24/65/902622465.db2.gz KANZNDYVSOCXER-INIZCTEOSA-N 0 0 400.442 4.312 20 5 HIBDRN CC(C)[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000488126015 902624245 /nfs/dbraw/zinc/62/42/45/902624245.db2.gz GYEGKFTWEKNKSA-FQEVSTJZSA-N 0 0 413.474 4.298 20 5 HIBDRN CC(C)[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000488126016 902624466 /nfs/dbraw/zinc/62/44/66/902624466.db2.gz GYEGKFTWEKNKSA-HXUWFJFHSA-N 0 0 413.474 4.298 20 5 HIBDRN Cc1c(NCc2c(Cl)cccc2[N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)C ZINC000488157976 902651079 /nfs/dbraw/zinc/65/10/79/902651079.db2.gz FVSHZGXUIFRFIU-UHFFFAOYSA-N 0 0 411.911 4.246 20 5 HIBDRN O=C(NCc1ccccc1OCCO)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488167992 902659202 /nfs/dbraw/zinc/65/92/02/902659202.db2.gz HIMUGRSSGFJAGM-UHFFFAOYSA-N 0 0 424.478 4.047 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)c1 ZINC000488211011 902693072 /nfs/dbraw/zinc/69/30/72/902693072.db2.gz OIYRCQNGCKTGDH-UHFFFAOYSA-N 0 0 409.486 4.449 20 5 HIBDRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000488249947 902724048 /nfs/dbraw/zinc/72/40/48/902724048.db2.gz LPUOTERVBDFWOA-QGZVFWFLSA-N 0 0 419.890 4.019 20 5 HIBDRN CC(C)(C)c1nc2cc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc2o1 ZINC000488262286 902732981 /nfs/dbraw/zinc/73/29/81/902732981.db2.gz HVTPDQRXCCGUFM-UHFFFAOYSA-N 0 0 412.450 4.099 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000488283239 902744903 /nfs/dbraw/zinc/74/49/03/902744903.db2.gz WEMMZZPTZAHAGS-JTQLQIEISA-N 0 0 406.851 4.116 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000488285274 902747907 /nfs/dbraw/zinc/74/79/07/902747907.db2.gz ZOSAYVIZLFDRJK-UHFFFAOYSA-N 0 0 415.450 4.315 20 5 HIBDRN C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000488380742 902789508 /nfs/dbraw/zinc/78/95/08/902789508.db2.gz CTWWRQNZGXSVDP-YJYMSZOUSA-N 0 0 421.856 4.101 20 5 HIBDRN O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000488441684 902827633 /nfs/dbraw/zinc/82/76/33/902827633.db2.gz DBIWNAQREGGBFF-UHFFFAOYSA-N 0 0 408.380 4.166 20 5 HIBDRN Cc1ccc(CN(Cc2ccco2)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1 ZINC000488496756 902854899 /nfs/dbraw/zinc/85/48/99/902854899.db2.gz SJUYNZQWVNLDJM-UHFFFAOYSA-N 0 0 400.412 4.129 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000488573021 902887419 /nfs/dbraw/zinc/88/74/19/902887419.db2.gz LVCSUOTYICKICY-UHFFFAOYSA-N 0 0 419.363 4.429 20 5 HIBDRN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000506000683 914672372 /nfs/dbraw/zinc/67/23/72/914672372.db2.gz BKHMFOBRXFDXPP-UHFFFAOYSA-N 0 0 404.348 4.206 20 5 HIBDRN COc1ccc(Cn2ccnc2SCc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000488730027 902967653 /nfs/dbraw/zinc/96/76/53/902967653.db2.gz HIIHLAKJINXOQU-UHFFFAOYSA-N 0 0 403.435 4.288 20 5 HIBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[C@@H]1OCCc2sccc21 ZINC000488752201 902980049 /nfs/dbraw/zinc/98/00/49/902980049.db2.gz XPMWIKGPYBORSN-DJJJIMSYSA-N 0 0 401.488 4.007 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2ccc(F)cc2Br)cc1[N+](=O)[O-] ZINC000488760839 902984201 /nfs/dbraw/zinc/98/42/01/902984201.db2.gz FHDAKNBOWXSHPE-NSHDSACASA-N 0 0 410.243 4.365 20 5 HIBDRN CS(=O)(=O)c1ccc(N2CC[C@H](Sc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000488774250 902989299 /nfs/dbraw/zinc/98/92/99/902989299.db2.gz XTKIKRJRGSVKDU-AWEZNQCLSA-N 0 0 412.920 4.023 20 5 HIBDRN C[C@@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000488780647 902995945 /nfs/dbraw/zinc/99/59/45/902995945.db2.gz IJZDJOUQSAWUPX-SNVBAGLBSA-N 0 0 404.835 4.418 20 5 HIBDRN O=C(CSc1nnc(Cc2cccs2)o1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488789979 903001166 /nfs/dbraw/zinc/00/11/66/903001166.db2.gz VPISEHKRYXJKIM-UHFFFAOYSA-N 0 0 410.864 4.014 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cnn(-c2ccccc2F)c1 ZINC000488927290 903081324 /nfs/dbraw/zinc/08/13/24/903081324.db2.gz CODDSBYSZMODKC-UHFFFAOYSA-N 0 0 423.326 4.260 20 5 HIBDRN COc1ccc(CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 ZINC000488992138 903108544 /nfs/dbraw/zinc/10/85/44/903108544.db2.gz DTRPBBBEROPYEI-UHFFFAOYSA-N 0 0 420.412 4.300 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000489018950 903123826 /nfs/dbraw/zinc/12/38/26/903123826.db2.gz XTUMZKTYOQCOTI-QGZVFWFLSA-N 0 0 421.400 4.100 20 5 HIBDRN CCOc1cc(CCCNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])ccc1OC ZINC000489132748 903222602 /nfs/dbraw/zinc/22/26/02/903222602.db2.gz FUOUXJOJBRVCIT-UHFFFAOYSA-N 0 0 415.490 4.169 20 5 HIBDRN CCOCCOCc1cccc(Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000489173720 903243567 /nfs/dbraw/zinc/24/35/67/903243567.db2.gz HGIWCUZLGHLUFR-UHFFFAOYSA-N 0 0 408.458 4.079 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCCCc2nc3c(s2)CCCC3)cc1[N+](=O)[O-] ZINC000489179322 903246342 /nfs/dbraw/zinc/24/63/42/903246342.db2.gz OUEOINNTAXDVFE-CQSZACIVSA-N 0 0 402.520 4.232 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc([C@H](C)SCC)no1 ZINC000489199254 903258803 /nfs/dbraw/zinc/25/88/03/903258803.db2.gz XELBMXCDZYNWSV-NSHDSACASA-N 0 0 410.521 4.176 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000489206296 903263162 /nfs/dbraw/zinc/26/31/62/903263162.db2.gz OFTOABWZVZACRO-IBGZPJMESA-N 0 0 403.454 4.369 20 5 HIBDRN CC[C@H](C)c1nnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)[nH]1 ZINC000489227167 903275202 /nfs/dbraw/zinc/27/52/02/903275202.db2.gz XHRYUVXPOKDNMD-STQMWFEESA-N 0 0 405.524 4.466 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2nccn2C)cs1 ZINC000489250844 903288511 /nfs/dbraw/zinc/28/85/11/903288511.db2.gz JFZQMSGHGZDKSB-UHFFFAOYSA-N 0 0 417.516 4.452 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000489278888 903304240 /nfs/dbraw/zinc/30/42/40/903304240.db2.gz NYZYRKCIDAGBDL-GDBMZVCRSA-N 0 0 412.490 4.448 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000489308621 903323086 /nfs/dbraw/zinc/32/30/86/903323086.db2.gz ZHCHJVXLNBKOJJ-KRWDZBQOSA-N 0 0 421.501 4.390 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000506026855 914707009 /nfs/dbraw/zinc/70/70/09/914707009.db2.gz NPFODNZBBVENKR-UWVGGRQHSA-N 0 0 413.318 4.120 20 5 HIBDRN CCOC(=O)Cc1csc(Sc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000489334492 903335761 /nfs/dbraw/zinc/33/57/61/903335761.db2.gz REOPGUMWVWWALT-UHFFFAOYSA-N 0 0 416.484 4.074 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc1[N+](=O)[O-] ZINC000489371507 903349781 /nfs/dbraw/zinc/34/97/81/903349781.db2.gz BNJPZFBMUVQDGX-MRXNPFEDSA-N 0 0 412.490 4.448 20 5 HIBDRN CCn1c(S[C@@H](C)c2cn(-c3ccccc3)nn2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489399042 903366976 /nfs/dbraw/zinc/36/69/76/903366976.db2.gz IUMPTYXSYJUYLZ-AWEZNQCLSA-N 0 0 421.486 4.307 20 5 HIBDRN C[C@@H](CN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO)c1ccccc1 ZINC000489430791 903380249 /nfs/dbraw/zinc/38/02/49/903380249.db2.gz DLUZCULNSMSCDS-ULQDDVLXSA-N 0 0 402.516 4.089 20 5 HIBDRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000489487172 903417066 /nfs/dbraw/zinc/41/70/66/903417066.db2.gz TZYMYLYUKDGELK-HNNXBMFYSA-N 0 0 413.499 4.340 20 5 HIBDRN COc1cc(CCNC(=O)Nc2ccc(C)c(OC(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000489555248 903462260 /nfs/dbraw/zinc/46/22/60/903462260.db2.gz RIFVKYOFLWLBSC-UHFFFAOYSA-N 0 0 417.462 4.072 20 5 HIBDRN CC(C)(NC(=O)NCc1nccn1CCCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000489564010 903466353 /nfs/dbraw/zinc/46/63/53/903466353.db2.gz DUEUOJGTXGNWNM-UHFFFAOYSA-N 0 0 421.501 4.159 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000489596299 903487073 /nfs/dbraw/zinc/48/70/73/903487073.db2.gz MIFYKBYFMOUHJR-INIZCTEOSA-N 0 0 418.490 4.177 20 5 HIBDRN O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000489630732 903507933 /nfs/dbraw/zinc/50/79/33/903507933.db2.gz GELPVYRRBKZEQF-SFHVURJKSA-N 0 0 411.845 4.164 20 5 HIBDRN O=C(NCCSCc1ccccc1F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489705904 903549691 /nfs/dbraw/zinc/54/96/91/903549691.db2.gz KILZITPAGSNSLK-UHFFFAOYSA-N 0 0 403.479 4.341 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ncoc2-c2ccccc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000489751711 903579253 /nfs/dbraw/zinc/57/92/53/903579253.db2.gz INQUKMNLSRVLGY-UHFFFAOYSA-N 0 0 415.789 4.251 20 5 HIBDRN CCCc1c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cnn1C1CCCC1 ZINC000489761124 903586058 /nfs/dbraw/zinc/58/60/58/903586058.db2.gz ROCLOANUNNPAAF-UHFFFAOYSA-N 0 0 414.462 4.206 20 5 HIBDRN COc1ccccc1[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000489764164 903589158 /nfs/dbraw/zinc/58/91/58/903589158.db2.gz JRBHEUXZIOKZJQ-BTYIYWSLSA-N 0 0 409.442 4.211 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1[N+](=O)[O-] ZINC000489869159 903641697 /nfs/dbraw/zinc/64/16/97/903641697.db2.gz GHGMLWREMAKBRA-HNNXBMFYSA-N 0 0 410.474 4.202 20 5 HIBDRN CN(C)[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1Cl ZINC000489871560 903643590 /nfs/dbraw/zinc/64/35/90/903643590.db2.gz JTQYPFBFTRGQJN-HXUWFJFHSA-N 0 0 416.909 4.225 20 5 HIBDRN CC(C)(NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000489905249 903664886 /nfs/dbraw/zinc/66/48/86/903664886.db2.gz FQZYLXOPQNXEQV-FUHWJXTLSA-N 0 0 421.856 4.452 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000489910824 903668743 /nfs/dbraw/zinc/66/87/43/903668743.db2.gz IGHWHTHGSHZAET-QGZVFWFLSA-N 0 0 411.506 4.095 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc1[N+](=O)[O-] ZINC000489916101 903672164 /nfs/dbraw/zinc/67/21/64/903672164.db2.gz HFWBBEFGJIFQNA-IFXJQAMLSA-N 0 0 404.898 4.220 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000489915543 903672277 /nfs/dbraw/zinc/67/22/77/903672277.db2.gz SANAJSBZIBTPRD-GFCCVEGCSA-N 0 0 409.389 4.074 20 5 HIBDRN CC(C)(C)OC(=O)C1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000489922713 903677420 /nfs/dbraw/zinc/67/74/20/903677420.db2.gz HNXHKWMSCTWQMH-UHFFFAOYSA-N 0 0 405.495 4.030 20 5 HIBDRN Cc1ccc(-c2cc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)[nH]n2)c(C)c1 ZINC000489974565 903705977 /nfs/dbraw/zinc/70/59/77/903705977.db2.gz AFDDORVATAGENO-UHFFFAOYSA-N 0 0 420.469 4.285 20 5 HIBDRN O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(Br)cc1F ZINC000490051598 903744350 /nfs/dbraw/zinc/74/43/50/903744350.db2.gz WKIKNCBFVOIBEI-UHFFFAOYSA-N 0 0 422.254 4.100 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000490066613 903757099 /nfs/dbraw/zinc/75/70/99/903757099.db2.gz LXJPOVYAYNMUHZ-VHSXEESVSA-N 0 0 402.398 4.056 20 5 HIBDRN O=C(NC[C@@H](CO)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000490142841 903789740 /nfs/dbraw/zinc/78/97/40/903789740.db2.gz POSMINMEDOYSCZ-SFHVURJKSA-N 0 0 422.506 4.327 20 5 HIBDRN CCc1ccc(C(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)cc1[N+](=O)[O-] ZINC000490262188 903860232 /nfs/dbraw/zinc/86/02/32/903860232.db2.gz SBCPJZMHQKIUPD-UHFFFAOYSA-N 0 0 406.320 4.478 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc(F)c(OC(F)F)cc2F)c([N+](=O)[O-])cc1OC ZINC000490291975 903880376 /nfs/dbraw/zinc/88/03/76/903880376.db2.gz UVRWDVNAYYSJLI-UHFFFAOYSA-N 0 0 418.299 4.134 20 5 HIBDRN O=C(Nc1cc(F)c(OC(F)F)cc1F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000490291178 903880488 /nfs/dbraw/zinc/88/04/88/903880488.db2.gz WBZMSEDKKFPIEI-UHFFFAOYSA-N 0 0 423.116 4.489 20 5 HIBDRN CCOCCOc1ccc(Br)cc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000490325918 903909966 /nfs/dbraw/zinc/90/99/66/903909966.db2.gz DOERQDVCNDXXAU-UHFFFAOYSA-N 0 0 423.263 4.333 20 5 HIBDRN O=[N+]([O-])c1cccc([C@@H](NCc2ccncc2OC[C@H]2CCOC2)c2ccccc2)c1 ZINC000490364977 903957487 /nfs/dbraw/zinc/95/74/87/903957487.db2.gz IXZKUVUBDFSKFL-UUOWRZLLSA-N 0 0 419.481 4.284 20 5 HIBDRN O=C(Nc1nnc(/C=C/c2ccco2)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000490365494 903958085 /nfs/dbraw/zinc/95/80/85/903958085.db2.gz KKPRJNMFDANBNY-GQCTYLIASA-N 0 0 421.232 4.225 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000490372125 903964329 /nfs/dbraw/zinc/96/43/29/903964329.db2.gz RADUGVHWMLSCSY-SECBINFHSA-N 0 0 422.228 4.093 20 5 HIBDRN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000490372131 903964544 /nfs/dbraw/zinc/96/45/44/903964544.db2.gz RADUGVHWMLSCSY-VIFPVBQESA-N 0 0 422.228 4.093 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000490372828 903966148 /nfs/dbraw/zinc/96/61/48/903966148.db2.gz WWHLNJWMRLRYQS-GJZGRUSLSA-N 0 0 417.347 4.141 20 5 HIBDRN O=C(CCCc1nc(-c2cccs2)no1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490395572 903981947 /nfs/dbraw/zinc/98/19/47/903981947.db2.gz AZSBZVSESPTGKF-UHFFFAOYSA-N 0 0 412.471 4.220 20 5 HIBDRN C[C@@H](SCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1nc2ccccc2[nH]1 ZINC000490399537 903984469 /nfs/dbraw/zinc/98/44/69/903984469.db2.gz LFADUJJRJKMTHN-CQSZACIVSA-N 0 0 410.499 4.457 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)C[C@@H](C)O1 ZINC000490403983 903987070 /nfs/dbraw/zinc/98/70/70/903987070.db2.gz XCTMAYQRTCAFPK-QZTJIDSGSA-N 0 0 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Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000493251665 905070172 /nfs/dbraw/zinc/07/01/72/905070172.db2.gz VDXOVQGDZFMURL-SNVBAGLBSA-N 0 0 420.821 4.198 20 5 HIBDRN CC(=O)N1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000506269693 914874910 /nfs/dbraw/zinc/87/49/10/914874910.db2.gz RGUPLSNIQUEELB-UHFFFAOYSA-N 0 0 403.866 4.095 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(C)c(Br)c1 ZINC000493381455 905099904 /nfs/dbraw/zinc/09/99/04/905099904.db2.gz BHQMIDMNGXXXAU-NSHDSACASA-N 0 0 408.252 4.113 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCn3c(cc4cc(Cl)ccc43)C2)c(Br)c1 ZINC000493442677 905123804 /nfs/dbraw/zinc/12/38/04/905123804.db2.gz OADZYNYIFIGXGH-UHFFFAOYSA-N 0 0 407.655 4.381 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000493475629 905135472 /nfs/dbraw/zinc/13/54/72/905135472.db2.gz CZICZKHZKBPHMJ-AWEZNQCLSA-N 0 0 421.478 4.434 20 5 HIBDRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)nc21 ZINC000493477819 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4.090 20 5 HIBDRN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000497948556 907418492 /nfs/dbraw/zinc/41/84/92/907418492.db2.gz ABTXASGGMGZVHF-HNNXBMFYSA-N 0 0 418.418 4.050 20 5 HIBDRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000498008659 907497651 /nfs/dbraw/zinc/49/76/51/907497651.db2.gz JQTPYAXCJIWPLZ-GFCCVEGCSA-N 0 0 413.783 4.276 20 5 HIBDRN Cc1c(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] ZINC000498010452 907501479 /nfs/dbraw/zinc/50/14/79/907501479.db2.gz CUBJWPHQKHDPGM-OAHLLOKOSA-N 0 0 403.276 4.371 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CCC(CCc2ccccc2)CC1 ZINC000498076659 907585446 /nfs/dbraw/zinc/58/54/46/907585446.db2.gz ORCAAFLYVZXRIE-UHFFFAOYSA-N 0 0 414.527 4.164 20 5 HIBDRN CC(C)[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N1CCC[C@H](C)C1 ZINC000498085033 907593259 /nfs/dbraw/zinc/59/32/59/907593259.db2.gz KWRPLTKGHXFEQH-KKSFZXQISA-N 0 0 423.582 4.462 20 5 HIBDRN Cc1nc(NC(=O)[C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)sc1C ZINC000498100593 907607940 /nfs/dbraw/zinc/60/79/40/907607940.db2.gz FJLJRJUVDPMPQY-ZDUSSCGKSA-N 0 0 424.551 4.279 20 5 HIBDRN O=C(Cc1cccc(OC(F)(F)F)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498139640 907658678 /nfs/dbraw/zinc/65/86/78/907658678.db2.gz AJFAHCHJZNQUET-QGZVFWFLSA-N 0 0 412.389 4.310 20 5 HIBDRN Cc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c2c(n1)onc2C(C)C ZINC000498140603 907661421 /nfs/dbraw/zinc/66/14/21/907661421.db2.gz QDTKDMZPYBWMDD-HXUWFJFHSA-N 0 0 412.471 4.451 20 5 HIBDRN CC(=O)c1ccc(SCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000498151474 907677509 /nfs/dbraw/zinc/67/75/09/907677509.db2.gz AMGVYAWUIMJINR-IBGZPJMESA-N 0 0 420.487 4.303 20 5 HIBDRN O=C(c1cccc(OCC(F)(F)F)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498153973 907678358 /nfs/dbraw/zinc/67/83/58/907678358.db2.gz SAYDWBBXOVHCOD-QGZVFWFLSA-N 0 0 412.389 4.424 20 5 HIBDRN CN(Cc1csc(Br)c1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498163521 907692072 /nfs/dbraw/zinc/69/20/72/907692072.db2.gz XIPSGIVAJIDREG-UHFFFAOYSA-N 0 0 406.261 4.239 20 5 HIBDRN CC(C)(C(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1)c1ccccc1[N+](=O)[O-] ZINC000498180156 907713882 /nfs/dbraw/zinc/71/38/82/907713882.db2.gz ZKEMNSJRFNMKEQ-KRWDZBQOSA-N 0 0 419.485 4.064 20 5 HIBDRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000498194149 907728959 /nfs/dbraw/zinc/72/89/59/907728959.db2.gz XFAAHKWRVDOQOZ-HNNXBMFYSA-N 0 0 418.453 4.410 20 5 HIBDRN COCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc2ccccc2s1 ZINC000498238999 907771723 /nfs/dbraw/zinc/77/17/23/907771723.db2.gz WEVLMCVPMCQAHI-UHFFFAOYSA-N 0 0 423.397 4.099 20 5 HIBDRN C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000498242113 907777311 /nfs/dbraw/zinc/77/73/11/907777311.db2.gz FASQBYCSVLGRNZ-FZKQIMNGSA-N 0 0 421.400 4.040 20 5 HIBDRN O=C(N[C@H]1CCc2c1cccc2Br)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498268971 907806341 /nfs/dbraw/zinc/80/63/41/907806341.db2.gz RDWOTEHMYIXBEB-INIZCTEOSA-N 0 0 412.243 4.323 20 5 HIBDRN COc1ccc(C)cc1C(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C ZINC000498273576 907810408 /nfs/dbraw/zinc/81/04/08/907810408.db2.gz DDRDKKMTHNVUOO-UHFFFAOYSA-N 0 0 404.491 4.379 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(OC)c(Oc3ccc(C)nn3)c2)cc1[N+](=O)[O-] ZINC000498325024 907840773 /nfs/dbraw/zinc/84/07/73/907840773.db2.gz XPOOZVGYGDOSLD-UHFFFAOYSA-N 0 0 423.429 4.178 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](CO)c3ccccc32)cc1 ZINC000498370529 907862652 /nfs/dbraw/zinc/86/26/52/907862652.db2.gz DCVCYKLBFUGTKL-OAHLLOKOSA-N 0 0 420.421 4.132 20 5 HIBDRN CCc1ccc(CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C2CC2)cc1 ZINC000498413834 907889712 /nfs/dbraw/zinc/88/97/12/907889712.db2.gz MDHLSGPLCCPAAE-UHFFFAOYSA-N 0 0 423.469 4.037 20 5 HIBDRN COc1ccc(CN[C@H](c2nccn2C)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512858822 921361853 /nfs/dbraw/zinc/36/18/53/921361853.db2.gz ZJUGXAWSQJUIIX-QFIPXVFZSA-N 0 0 422.485 4.157 20 5 HIBDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000498475701 907944241 /nfs/dbraw/zinc/94/42/41/907944241.db2.gz GBEJXGYIBRGSPN-HNNXBMFYSA-N 0 0 413.499 4.259 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCSC[C@H]1c1ccccc1 ZINC000498482573 907952561 /nfs/dbraw/zinc/95/25/61/907952561.db2.gz HLENSKMVPHXTFM-SFHVURJKSA-N 0 0 405.907 4.290 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCc3cnc(C)s3)cc2[N+](=O)[O-])n1 ZINC000498599727 908049344 /nfs/dbraw/zinc/04/93/44/908049344.db2.gz GNMZZIVWKCDRFP-UHFFFAOYSA-N 0 0 406.514 4.206 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000498651889 908091047 /nfs/dbraw/zinc/09/10/47/908091047.db2.gz BCEYRTHLDKYYMR-CYBMUJFWSA-N 0 0 420.400 4.443 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000512900450 921392940 /nfs/dbraw/zinc/39/29/40/921392940.db2.gz CVTFGDYSVAPJDQ-AWEZNQCLSA-N 0 0 417.372 4.025 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000498847175 908251803 /nfs/dbraw/zinc/25/18/03/908251803.db2.gz VLVAICLGSPGGCK-SFHVURJKSA-N 0 0 420.412 4.074 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N(Cc2ccc(F)cc2F)C2CC2)c([N+](=O)[O-])c1 ZINC000498864440 908266937 /nfs/dbraw/zinc/26/69/37/908266937.db2.gz FXWMCSYIDUOHDC-UHFFFAOYSA-N 0 0 412.396 4.007 20 5 HIBDRN NC(=O)c1ccc(CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000498869190 908270328 /nfs/dbraw/zinc/27/03/28/908270328.db2.gz WRSMBAIORGNIMU-UHFFFAOYSA-N 0 0 415.449 4.094 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000498959190 908356824 /nfs/dbraw/zinc/35/68/24/908356824.db2.gz XRZJOBGDMMTIFL-GOSISDBHSA-N 0 0 422.403 4.491 20 5 HIBDRN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000499065670 908433337 /nfs/dbraw/zinc/43/33/37/908433337.db2.gz ADHDAZLBUJABNB-UHFFFAOYSA-N 0 0 410.478 4.026 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000499118840 908475583 /nfs/dbraw/zinc/47/55/83/908475583.db2.gz BYWGORGICLDACJ-SOLBZPMBSA-N 0 0 415.515 4.175 20 5 HIBDRN Cc1cc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499135546 908491554 /nfs/dbraw/zinc/49/15/54/908491554.db2.gz SGSNEUSKWNPDCA-GOSISDBHSA-N 0 0 406.442 4.235 20 5 HIBDRN NC(=O)COc1cccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 ZINC000512938723 921426928 /nfs/dbraw/zinc/42/69/28/921426928.db2.gz DWDODXXSOFLDNA-UHFFFAOYSA-N 0 0 411.389 4.002 20 5 HIBDRN CCc1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nn1-c1c(Cl)cccc1Cl ZINC000499294185 908666330 /nfs/dbraw/zinc/66/63/30/908666330.db2.gz KWXYYIPNMDIFID-UHFFFAOYSA-N 0 0 406.229 4.297 20 5 HIBDRN CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000499331280 908705788 /nfs/dbraw/zinc/70/57/88/908705788.db2.gz UFIXZVCLSSQUMM-LJQANCHMSA-N 0 0 417.849 4.012 20 5 HIBDRN CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000499371860 908739666 /nfs/dbraw/zinc/73/96/66/908739666.db2.gz JSYCOBKSKFRJFG-FQEVSTJZSA-N 0 0 417.893 4.224 20 5 HIBDRN COc1c(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC000499491446 908815799 /nfs/dbraw/zinc/81/57/99/908815799.db2.gz IPMDUDHBRKFRTQ-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000499503159 908819257 /nfs/dbraw/zinc/81/92/57/908819257.db2.gz KPESFIJEMGVSLV-GFCCVEGCSA-N 0 0 419.363 4.028 20 5 HIBDRN O=C(Nc1cnccc1Oc1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499612759 908855522 /nfs/dbraw/zinc/85/55/22/908855522.db2.gz PBDNWTQWBAQJKI-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN CC(=O)Nc1ccc(-c2noc(CCc3cccc([N+](=O)[O-])c3)n2)cc1C(F)(F)F ZINC000499625903 908859607 /nfs/dbraw/zinc/85/96/07/908859607.db2.gz NVDFCJDSPGIYJN-UHFFFAOYSA-N 0 0 420.347 4.407 20 5 HIBDRN COc1ccc(CC2CCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])CC2)cc1 ZINC000499660799 908868294 /nfs/dbraw/zinc/86/82/94/908868294.db2.gz LRXLJYAEEWMPKT-UHFFFAOYSA-N 0 0 400.500 4.420 20 5 HIBDRN NC(=O)c1cc(Oc2cccc(Oc3ccc4ncccc4c3[N+](=O)[O-])c2)ccn1 ZINC000499671729 908871885 /nfs/dbraw/zinc/87/18/85/908871885.db2.gz QBDFXWSECNBBIA-UHFFFAOYSA-N 0 0 402.366 4.222 20 5 HIBDRN Cc1sc2nc(CCC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)[nH]c(=O)c2c1C ZINC000499813003 908942688 /nfs/dbraw/zinc/94/26/88/908942688.db2.gz OFFWPWXOHIHYEB-UHFFFAOYSA-N 0 0 400.460 4.110 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499886598 909010571 /nfs/dbraw/zinc/01/05/71/909010571.db2.gz JIKKDYNRPIQSMM-QGZVFWFLSA-N 0 0 421.400 4.418 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000512996291 921463930 /nfs/dbraw/zinc/46/39/30/921463930.db2.gz BZYPFZNLDPFYFP-ROUUACIJSA-N 0 0 403.276 4.162 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000513005001 921469961 /nfs/dbraw/zinc/46/99/61/921469961.db2.gz RTFDBPFAHQZYSE-UHFFFAOYSA-N 0 0 411.336 4.137 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cnc2ccccc2c1C(F)(F)F ZINC000513008307 921473213 /nfs/dbraw/zinc/47/32/13/921473213.db2.gz 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/nfs/dbraw/zinc/36/46/20/918364620.db2.gz MVFRWPNKFOGOCM-UHFFFAOYSA-N 0 0 417.462 4.243 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC=C(c2ccccc2Cl)CC1 ZINC000509752450 918369252 /nfs/dbraw/zinc/36/92/52/918369252.db2.gz SSRJNZHWWIZZJN-UHFFFAOYSA-N 0 0 408.845 4.363 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN(C)c1ccccc1F ZINC000509767899 918381806 /nfs/dbraw/zinc/38/18/06/918381806.db2.gz SRLJSUCLNXCDKL-UHFFFAOYSA-N 0 0 402.470 4.180 20 5 HIBDRN CCOc1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1OC ZINC000509803527 918408360 /nfs/dbraw/zinc/40/83/60/918408360.db2.gz NLVXSSLOIXVKOQ-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000509803205 918408467 /nfs/dbraw/zinc/40/84/67/918408467.db2.gz MMJXOXQQHQEJAQ-QGZVFWFLSA-N 0 0 423.238 4.019 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000509809148 918413794 /nfs/dbraw/zinc/41/37/94/918413794.db2.gz SHRVJSQWOVKIQB-UHFFFAOYSA-N 0 0 405.863 4.014 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC000509819960 918422725 /nfs/dbraw/zinc/42/27/25/918422725.db2.gz LKUJRHGBIKHOLL-UHFFFAOYSA-N 0 0 417.259 4.301 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1nccn1-c1ccccc1 ZINC000509836477 918439435 /nfs/dbraw/zinc/43/94/35/918439435.db2.gz PMLRWSXZNJLFHY-UHFFFAOYSA-N 0 0 413.306 4.442 20 5 HIBDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000509965181 918555261 /nfs/dbraw/zinc/55/52/61/918555261.db2.gz ZLTVEHFDEQSIEY-LBPRGKRZSA-N 0 0 424.379 4.078 20 5 HIBDRN O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000509966177 918557227 /nfs/dbraw/zinc/55/72/27/918557227.db2.gz FXLKLSSXPDSGLX-YOEHRIQHSA-N 0 0 404.416 4.493 20 5 HIBDRN O=C(NCc1ccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1)c1cccs1 ZINC000509981430 918569281 /nfs/dbraw/zinc/56/92/81/918569281.db2.gz HJOQAMFVVNKELU-UHFFFAOYSA-N 0 0 421.478 4.179 20 5 HIBDRN Cc1ccc(NCCCNC(=O)c2ccccc2Oc2ccncc2)c([N+](=O)[O-])c1 ZINC000510006896 918589024 /nfs/dbraw/zinc/58/90/24/918589024.db2.gz RMLHDZRSJBYCKG-UHFFFAOYSA-N 0 0 406.442 4.323 20 5 HIBDRN Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cccc1NC(=O)N(C)C ZINC000510021187 918597148 /nfs/dbraw/zinc/59/71/48/918597148.db2.gz XOQYPCIYCAHRDJ-UHFFFAOYSA-N 0 0 410.352 4.268 20 5 HIBDRN Cc1c(Br)cc(C(=O)N(C)Cc2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000510022513 918599340 /nfs/dbraw/zinc/59/93/40/918599340.db2.gz DJJWZSWFLKYYEU-UHFFFAOYSA-N 0 0 406.280 4.004 20 5 HIBDRN COc1ccc(NC(C)=O)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000510035966 918607692 /nfs/dbraw/zinc/60/76/92/918607692.db2.gz QKXDXINVPFSQQE-UHFFFAOYSA-N 0 0 400.435 4.004 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C)c(O)c3)cc([N+](=O)[O-])c2)cc1O ZINC000510044467 918615039 /nfs/dbraw/zinc/61/50/39/918615039.db2.gz SDMKDEUWWIAORK-UHFFFAOYSA-N 0 0 421.409 4.127 20 5 HIBDRN Cc1c(Br)cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000510046914 918618135 /nfs/dbraw/zinc/61/81/35/918618135.db2.gz ZYCHHFUKEXZLNG-AWEZNQCLSA-N 0 0 411.296 4.277 20 5 HIBDRN C[C@@H](CC1CCCC1)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000510203141 918752166 /nfs/dbraw/zinc/75/21/66/918752166.db2.gz HLLVNKZWZKGVPU-LBPRGKRZSA-N 0 0 423.516 4.039 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCOc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000510215035 918762183 /nfs/dbraw/zinc/76/21/83/918762183.db2.gz KVADDCXDYUCUNZ-UHFFFAOYSA-N 0 0 411.639 4.358 20 5 HIBDRN Cc1cccc(C)c1OC[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000510328510 918834338 /nfs/dbraw/zinc/83/43/38/918834338.db2.gz ZXMBWUAGTIVYQV-SFHVURJKSA-N 0 0 411.502 4.012 20 5 HIBDRN Cc1cccc([C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)c1 ZINC000510407605 918878013 /nfs/dbraw/zinc/87/80/13/918878013.db2.gz SBCJYFPFLRWTBG-MRXNPFEDSA-N 0 0 401.772 4.388 20 5 HIBDRN CCCCN(C)C(=O)C1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000510417742 918885218 /nfs/dbraw/zinc/88/52/18/918885218.db2.gz XSOVYBUCPARPTA-UHFFFAOYSA-N 0 0 416.547 4.189 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000510418423 918886349 /nfs/dbraw/zinc/88/63/49/918886349.db2.gz WKJJTIPQXYDZNZ-KSSFIOAISA-N 0 0 404.430 4.003 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000510420271 918887477 /nfs/dbraw/zinc/88/74/77/918887477.db2.gz CNLKSTBZFMKAKE-UHFFFAOYSA-N 0 0 408.907 4.033 20 5 HIBDRN COc1ccc(CNC(=O)c2cccc(COc3cccc(F)c3)c2)cc1[N+](=O)[O-] ZINC000510484551 918936138 /nfs/dbraw/zinc/93/61/38/918936138.db2.gz XHRKKVLRAUHTEV-UHFFFAOYSA-N 0 0 410.401 4.252 20 5 HIBDRN CCN1CC[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000510635402 919076907 /nfs/dbraw/zinc/07/69/07/919076907.db2.gz ZBPAQPXWCMJTAP-PKOBYXMFSA-N 0 0 415.362 4.215 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)c2)oc1C ZINC000510682558 919121555 /nfs/dbraw/zinc/12/15/55/919121555.db2.gz OKTJYMDVTWLOJD-UHFFFAOYSA-N 0 0 421.457 4.221 20 5 HIBDRN COc1cc(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)ccc1[N+](=O)[O-] ZINC000510689550 919127435 /nfs/dbraw/zinc/12/74/35/919127435.db2.gz WOXJFQANKFOYRY-UHFFFAOYSA-N 0 0 410.401 4.252 20 5 HIBDRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000510759506 919209114 /nfs/dbraw/zinc/20/91/14/919209114.db2.gz AWGBLQJWEZESGE-UHFFFAOYSA-N 0 0 406.438 4.325 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000510763816 919216444 /nfs/dbraw/zinc/21/64/44/919216444.db2.gz NJIXMYNRCOOPAU-VIFPVBQESA-N 0 0 401.207 4.495 20 5 HIBDRN COc1ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OCc1ccncc1 ZINC000510766282 919221032 /nfs/dbraw/zinc/22/10/32/919221032.db2.gz DQLDNQMNODPQRW-OAHLLOKOSA-N 0 0 422.441 4.460 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(NC(=O)c2ccccc2)cn1)c1ccccc1[N+](=O)[O-] ZINC000510769746 919225255 /nfs/dbraw/zinc/22/52/55/919225255.db2.gz XAGVLQMTKNKPPJ-UHFFFAOYSA-N 0 0 404.426 4.158 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000510833414 919312923 /nfs/dbraw/zinc/31/29/23/919312923.db2.gz NRUCIBNIBNUXBD-UHFFFAOYSA-N 0 0 424.432 4.305 20 5 HIBDRN O=C(CCc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000510834477 919314263 /nfs/dbraw/zinc/31/42/63/919314263.db2.gz BONDLPWJHUGYRS-UHFFFAOYSA-N 0 0 408.285 4.183 20 5 HIBDRN COc1ccc(CNC(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000510844276 919327743 /nfs/dbraw/zinc/32/77/43/919327743.db2.gz PVKKXDJGNTXRJY-LJQANCHMSA-N 0 0 407.829 4.037 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000510849815 919336406 /nfs/dbraw/zinc/33/64/06/919336406.db2.gz NERXKNFRFQDVLS-HNNXBMFYSA-N 0 0 419.437 4.347 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1CCN(c2ccccn2)C1 ZINC000510911908 919418714 /nfs/dbraw/zinc/41/87/14/919418714.db2.gz CKCVSFIPIZAPFE-KRWDZBQOSA-N 0 0 419.441 4.183 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1CN1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000510920677 919433700 /nfs/dbraw/zinc/43/37/00/919433700.db2.gz XEEUJBJVXTZCAI-KRWDZBQOSA-N 0 0 406.870 4.252 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000510948016 919478052 /nfs/dbraw/zinc/47/80/52/919478052.db2.gz REXMUUGOJHIYNT-KRWDZBQOSA-N 0 0 419.466 4.155 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000511011185 919576945 /nfs/dbraw/zinc/57/69/45/919576945.db2.gz HHFPRECHTATPKO-AWEZNQCLSA-N 0 0 402.451 4.104 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)N(C)CCc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000511058889 919655485 /nfs/dbraw/zinc/65/54/85/919655485.db2.gz IRAOMIDWEHZNSV-AWEZNQCLSA-N 0 0 420.307 4.167 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000511065685 919664869 /nfs/dbraw/zinc/66/48/69/919664869.db2.gz UMEXXRZTLFBMGC-UHFFFAOYSA-N 0 0 417.400 4.162 20 5 HIBDRN Cc1cc(C(=O)[C@H](C)N(C)CCc2ccccc2[N+](=O)[O-])c(C)n1Cc1ccco1 ZINC000511141816 919761150 /nfs/dbraw/zinc/76/11/50/919761150.db2.gz NBYVHXQYPJASQS-SFHVURJKSA-N 0 0 409.486 4.400 20 5 HIBDRN Cn1c(=O)oc2c1cccc2NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000511161189 919781743 /nfs/dbraw/zinc/78/17/43/919781743.db2.gz QCTPWQMTYPKQHZ-UHFFFAOYSA-N 0 0 421.434 4.443 20 5 HIBDRN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000511212496 919823974 /nfs/dbraw/zinc/82/39/74/919823974.db2.gz FOVDGQNWMYEVBG-QGZVFWFLSA-N 0 0 420.494 4.150 20 5 HIBDRN CC(C)c1ccc(N(C(=O)Cn2cnc([N+](=O)[O-])n2)c2nc3ccccc3s2)cc1 ZINC000511336495 919928103 /nfs/dbraw/zinc/92/81/03/919928103.db2.gz YKTCAAGPAJIGTR-UHFFFAOYSA-N 0 0 422.470 4.284 20 5 HIBDRN CCc1cc(N2CC[C@H](n3ncc4ccccc43)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511351015 919944833 /nfs/dbraw/zinc/94/48/33/919944833.db2.gz MGTXGJGSXSCVSY-FQEVSTJZSA-N 0 0 414.469 4.415 20 5 HIBDRN O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000511372944 919967493 /nfs/dbraw/zinc/96/74/93/919967493.db2.gz LRFIVHMQZBWTJS-DYESRHJHSA-N 0 0 409.486 4.437 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000511393309 920003467 /nfs/dbraw/zinc/00/34/67/920003467.db2.gz BPEOVNXRIQGZDF-WBVHZDCISA-N 0 0 421.375 4.005 20 5 HIBDRN COCCSc1ccc([C@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000511420781 920034252 /nfs/dbraw/zinc/03/42/52/920034252.db2.gz GOLIYSITTSQAQV-INIZCTEOSA-N 0 0 417.531 4.278 20 5 HIBDRN COc1cccc2c1[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)CC2 ZINC000511448348 920057096 /nfs/dbraw/zinc/05/70/96/920057096.db2.gz WYAKZNLRXKTSTI-ZDUSSCGKSA-N 0 0 405.248 4.343 20 5 HIBDRN CNS(=O)(=O)c1ccc(N[C@H](c2ccc(Cl)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000511464651 920073034 /nfs/dbraw/zinc/07/30/34/920073034.db2.gz QIZAJPIPGYWFQA-SFHVURJKSA-N 0 0 409.895 4.110 20 5 HIBDRN Cc1ccc(C(=O)N2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)s1 ZINC000511493149 920103530 /nfs/dbraw/zinc/10/35/30/920103530.db2.gz HGBGNBDRDYJMMS-UHFFFAOYSA-N 0 0 411.483 4.183 20 5 HIBDRN Cc1ccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)s1 ZINC000511497765 920109162 /nfs/dbraw/zinc/10/91/62/920109162.db2.gz ZXMIRIMNILYOMX-UHFFFAOYSA-N 0 0 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O=[N+]([O-])c1ccc(N[C@H]2CCc3c2cccc3Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000511716504 920381855 /nfs/dbraw/zinc/38/18/55/920381855.db2.gz UDQORZISPSLTNA-KRWDZBQOSA-N 0 0 421.906 4.132 20 5 HIBDRN COc1ccc(CN(CC2CCC2)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 ZINC000511732194 920398812 /nfs/dbraw/zinc/39/88/12/920398812.db2.gz YANKVJCKRLPEOX-UHFFFAOYSA-N 0 0 414.458 4.063 20 5 HIBDRN COc1cc(C(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)ccc1[N+](=O)[O-] ZINC000511789496 920483160 /nfs/dbraw/zinc/48/31/60/920483160.db2.gz VGNYJAGSQUXGHG-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)ccc1[N+](=O)[O-] ZINC000511865197 920592391 /nfs/dbraw/zinc/59/23/91/920592391.db2.gz NJMLEAPZGFOMCX-UHFFFAOYSA-N 0 0 409.373 4.247 20 5 HIBDRN COc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000511894780 920631421 /nfs/dbraw/zinc/63/14/21/920631421.db2.gz DPPXMSRCCZFOJZ-OAHLLOKOSA-N 0 0 404.422 4.325 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Br)s1 ZINC000511908638 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/nfs/dbraw/zinc/34/87/18/933348718.db2.gz UWBJEWVYYPQXQW-XAYKYTGQSA-N 0 0 421.453 4.084 20 5 HIBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1CO ZINC000535708989 933363008 /nfs/dbraw/zinc/36/30/08/933363008.db2.gz TXBSTBQIZFTDAN-UHFFFAOYSA-N 0 0 410.451 4.499 20 5 HIBDRN CC[C@H](c1ccncc1)N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000535791481 933389223 /nfs/dbraw/zinc/38/92/23/933389223.db2.gz MZHUWGXXFIVLQF-GOSISDBHSA-N 0 0 411.487 4.135 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCS(=O)(=O)C3(CCCCC3)C2)s1 ZINC000535826529 933419277 /nfs/dbraw/zinc/41/92/77/933419277.db2.gz CZDSQOYMEADMFL-UHFFFAOYSA-N 0 0 420.556 4.257 20 5 HIBDRN COc1ccc(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1-c1ccccn1 ZINC000535855015 933437923 /nfs/dbraw/zinc/43/79/23/933437923.db2.gz MZRSOGTWAYULFW-UHFFFAOYSA-N 0 0 420.469 4.206 20 5 HIBDRN Cc1cn2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)sc2n1 ZINC000535879678 933461047 /nfs/dbraw/zinc/46/10/47/933461047.db2.gz LPRUVWQMFIXUBP-UHFFFAOYSA-N 0 0 406.423 4.096 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000535951892 933517060 /nfs/dbraw/zinc/51/70/60/933517060.db2.gz OKGCMVZDZTWYMG-CQSZACIVSA-N 0 0 416.524 4.125 20 5 HIBDRN O=[N+]([O-])c1cccc2c1CCN(Cc1nc(-c3cccc(C(F)(F)F)c3)no1)C2 ZINC000536004956 933563101 /nfs/dbraw/zinc/56/31/01/933563101.db2.gz ZIYJRRCQGDFOIE-UHFFFAOYSA-N 0 0 404.348 4.222 20 5 HIBDRN C[C@@H](Cc1ccccc1Br)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536008224 933565758 /nfs/dbraw/zinc/56/57/58/933565758.db2.gz RESVDGRQNAAHDO-ZDUSSCGKSA-N 0 0 418.291 4.056 20 5 HIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536059862 933609665 /nfs/dbraw/zinc/60/96/65/933609665.db2.gz PYEBOPJCVNMXPV-UHFFFAOYSA-N 0 0 406.446 4.024 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNc3cc(F)cc(N4CCOCC4)c3)cs2)c1 ZINC000536104246 933655765 /nfs/dbraw/zinc/65/57/65/933655765.db2.gz XXYARCIAFLLUGH-UHFFFAOYSA-N 0 0 414.462 4.306 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2nc(-c3ccncc3)cs2)c1 ZINC000537311079 933710975 /nfs/dbraw/zinc/71/09/75/933710975.db2.gz JCULGJTYLOSNPP-AWEZNQCLSA-N 0 0 412.471 4.068 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnc(OCC(F)(F)F)c1 ZINC000537336470 933721468 /nfs/dbraw/zinc/72/14/68/933721468.db2.gz YLQNONFMRQNLRT-JTQLQIEISA-N 0 0 401.366 4.050 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000537411398 933762799 /nfs/dbraw/zinc/76/27/99/933762799.db2.gz NIVGJSBEUIVINL-GOSISDBHSA-N 0 0 416.909 4.447 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC000537458938 933783360 /nfs/dbraw/zinc/78/33/60/933783360.db2.gz HHUVFBUDJHMWHE-UHFFFAOYSA-N 0 0 416.425 4.176 20 5 HIBDRN CC(C)C[C@H]1C[C@@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CCO1 ZINC000537461104 933785458 /nfs/dbraw/zinc/78/54/58/933785458.db2.gz FRKAMGJHAKCFKG-OALUTQOASA-N 0 0 403.523 4.155 20 5 HIBDRN C[C@H](c1nc(C(C)(C)NC(=O)c2cccc(Cl)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000562413652 945071256 /nfs/dbraw/zinc/07/12/56/945071256.db2.gz YIKARMUWJKGZKH-LBPRGKRZSA-N 0 0 414.849 4.448 20 5 HIBDRN Cc1c(NC(=O)N(Cc2ccccc2)C[C@H](C)O)cc(Br)cc1[N+](=O)[O-] ZINC000562460810 945081515 /nfs/dbraw/zinc/08/15/15/945081515.db2.gz GAQGIKJWWHKIKM-LBPRGKRZSA-N 0 0 422.279 4.081 20 5 HIBDRN O=C(Cc1noc(-c2ccc([N+](=O)[O-])cn2)n1)Nc1ccccc1Oc1ccccc1 ZINC000562474026 945083432 /nfs/dbraw/zinc/08/34/32/945083432.db2.gz HXWFPYJMQJBTCQ-UHFFFAOYSA-N 0 0 417.381 4.013 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](CSc2ccccc2)C1 ZINC000562752672 945114551 /nfs/dbraw/zinc/11/45/51/945114551.db2.gz BPZYLIGKZKYUBE-MRXNPFEDSA-N 0 0 409.515 4.492 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CNc3cc(F)ccc3OCC(F)(F)F)n2)c1 ZINC000563267766 945163695 /nfs/dbraw/zinc/16/36/95/945163695.db2.gz HFBIFZMLXVIKDI-UHFFFAOYSA-N 0 0 412.299 4.337 20 5 HIBDRN Cc1cc(Br)cc(Cl)c1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000537550717 938321197 /nfs/dbraw/zinc/32/11/97/938321197.db2.gz HOOHEONCKXZCFB-UHFFFAOYSA-N 0 0 413.655 4.128 20 5 HIBDRN CC(C)CCOc1ccc(S(=O)(=O)n2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1 ZINC000537565420 938326456 /nfs/dbraw/zinc/32/64/56/938326456.db2.gz MKUNWKZERFSYGJ-UHFFFAOYSA-N 0 0 415.471 4.120 20 5 HIBDRN Cc1ccc(Cl)c(S(=O)(=O)n2cc(-c3cccc([N+](=O)[O-])c3)cn2)c1Cl ZINC000537566706 938326545 /nfs/dbraw/zinc/32/65/45/938326545.db2.gz KJBDIVUDYMNFCA-UHFFFAOYSA-N 0 0 412.254 4.311 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CCC[C@@]4(CNC(=O)C4)C3)cc2[N+](=O)[O-])cc1 ZINC000537614873 938333333 /nfs/dbraw/zinc/33/33/33/938333333.db2.gz GDHQVWGWGJYCSU-JOCHJYFZSA-N 0 0 411.527 4.157 20 5 HIBDRN O=C1NCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H]1c1cccs1 ZINC000537617035 938334431 /nfs/dbraw/zinc/33/44/31/938334431.db2.gz NHUPUDWBJQMXGI-SFHVURJKSA-N 0 0 417.874 4.243 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN3CCS(=O)(=O)[C@H]4CCCC[C@H]43)o2)c(Cl)c1 ZINC000537637100 938342619 /nfs/dbraw/zinc/34/26/19/938342619.db2.gz BAZBUWDCLGAKEG-MJGOQNOKSA-N 0 0 424.906 4.050 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(OCc3ccccc3)cc2)s1 ZINC000537640554 938343782 /nfs/dbraw/zinc/34/37/82/938343782.db2.gz SBFADJSUPILXJZ-UHFFFAOYSA-N 0 0 418.496 4.251 20 5 HIBDRN CCc1ccc(C(=O)N[C@@H](c2noc(C)n2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000537796129 938378010 /nfs/dbraw/zinc/37/80/10/938378010.db2.gz VTPLOBXHPIOLKU-QGZVFWFLSA-N 0 0 400.822 4.021 20 5 HIBDRN Cc1cc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2C)c(I)c1 ZINC000537802430 938379991 /nfs/dbraw/zinc/37/99/91/938379991.db2.gz MLXGUNCSHOGJRJ-UHFFFAOYSA-N 0 0 414.174 4.208 20 5 HIBDRN CCc1nc2ccccc2n1C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000537885436 938399648 /nfs/dbraw/zinc/39/96/48/938399648.db2.gz FHHKYYPNWZFBHH-UHFFFAOYSA-N 0 0 421.501 4.173 20 5 HIBDRN CC(C)(C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000538047746 938481438 /nfs/dbraw/zinc/48/14/38/938481438.db2.gz ONVOGIYKBHPLDQ-ZWKOTPCHSA-N 0 0 406.841 4.311 20 5 HIBDRN O=C(Nc1cc(F)c(Br)c(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000538251575 938574708 /nfs/dbraw/zinc/57/47/08/938574708.db2.gz BXSRFKYXMWYESX-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN COc1ccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1OC ZINC000538254411 938575131 /nfs/dbraw/zinc/57/51/31/938575131.db2.gz ABBGAJUXZINRSZ-CQSZACIVSA-N 0 0 418.515 4.474 20 5 HIBDRN COc1ccccc1N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000538258831 938576673 /nfs/dbraw/zinc/57/66/73/938576673.db2.gz KYUZOQGCSOHEHI-HNNXBMFYSA-N 0 0 415.515 4.113 20 5 HIBDRN Cc1c([C@H](C)NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1-c1ccc(F)cc1 ZINC000538262737 938577743 /nfs/dbraw/zinc/57/77/43/938577743.db2.gz HPUBNARALBCZPG-ZDUSSCGKSA-N 0 0 422.420 4.129 20 5 HIBDRN Cc1c([C@H](C)NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cnn1-c1ccc(F)cc1 ZINC000538267001 938578965 /nfs/dbraw/zinc/57/89/65/938578965.db2.gz WFBREBGLCJJMNH-ZDUSSCGKSA-N 0 0 422.420 4.129 20 5 HIBDRN Cc1ccc([C@@H](CC(=O)OC(C)C)NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000538268368 938579373 /nfs/dbraw/zinc/57/93/73/938579373.db2.gz FYLNTPJWFBDBDK-LJQANCHMSA-N 0 0 424.457 4.126 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 ZINC000538304670 938588274 /nfs/dbraw/zinc/58/82/74/938588274.db2.gz MTLHHJXIHGHJRR-UHFFFAOYSA-N 0 0 423.425 4.228 20 5 HIBDRN CC[C@@H](C)n1nc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1C ZINC000538312991 938590601 /nfs/dbraw/zinc/59/06/01/938590601.db2.gz GUXYVDFRQDTLET-SNVBAGLBSA-N 0 0 400.357 4.264 20 5 HIBDRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000538337776 938597004 /nfs/dbraw/zinc/59/70/04/938597004.db2.gz RKSJKZRFYCKCQK-QLJPJBMISA-N 0 0 411.227 4.002 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2c1cccc2Br ZINC000538346059 938599189 /nfs/dbraw/zinc/59/91/89/938599189.db2.gz WAPSDRGPLMAOIN-AWEZNQCLSA-N 0 0 405.248 4.173 20 5 HIBDRN O=C(NCc1cccc(Br)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538347528 938599937 /nfs/dbraw/zinc/59/99/37/938599937.db2.gz VOANZBQQIXBACR-UHFFFAOYSA-N 0 0 412.243 4.349 20 5 HIBDRN C[C@@H](CCO)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CCC1 ZINC000538359946 938603437 /nfs/dbraw/zinc/60/34/37/938603437.db2.gz GNZDRLPGEWBIOV-KRWDZBQOSA-N 0 0 411.502 4.126 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000538396473 938610665 /nfs/dbraw/zinc/61/06/65/938610665.db2.gz VQQWRHMAZXSERX-QGZVFWFLSA-N 0 0 400.328 4.073 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1 ZINC000538399460 938611363 /nfs/dbraw/zinc/61/13/63/938611363.db2.gz DLYYFPYLHCHIBV-GOSISDBHSA-N 0 0 414.458 4.053 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3c(Cl)ccc(C)c3n2)cc([N+](=O)[O-])c1OC ZINC000538413780 938614878 /nfs/dbraw/zinc/61/48/78/938614878.db2.gz RFHBUPHMMBXQKH-UHFFFAOYSA-N 0 0 401.806 4.374 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1 ZINC000538428080 938618010 /nfs/dbraw/zinc/61/80/10/938618010.db2.gz FFWBYRPSVYKMOG-UHFFFAOYSA-N 0 0 401.850 4.166 20 5 HIBDRN Cc1cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1Cl ZINC000538440325 938621706 /nfs/dbraw/zinc/62/17/06/938621706.db2.gz FZFYPQCSUDFZSD-UHFFFAOYSA-N 0 0 422.832 4.180 20 5 HIBDRN CCc1nn(C)cc1NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538452311 938625694 /nfs/dbraw/zinc/62/56/94/938625694.db2.gz MWABOCYTCLKVMU-UHFFFAOYSA-N 0 0 402.458 4.356 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000538483187 938632171 /nfs/dbraw/zinc/63/21/71/938632171.db2.gz COJHSHPZULWRBZ-LIRRHRJNSA-N 0 0 407.470 4.258 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000538492514 938634497 /nfs/dbraw/zinc/63/44/97/938634497.db2.gz RYFGIJQKAGNVJQ-UHFFFAOYSA-N 0 0 401.488 4.441 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000538495787 938635254 /nfs/dbraw/zinc/63/52/54/938635254.db2.gz AUPCOZFGEYOAQN-UHFFFAOYSA-N 0 0 408.785 4.251 20 5 HIBDRN O=C(Nc1ccc(-n2ccnn2)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000538532116 938643056 /nfs/dbraw/zinc/64/30/56/938643056.db2.gz 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Cc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000538661592 938677220 /nfs/dbraw/zinc/67/72/20/938677220.db2.gz HLEYJBJIXABAET-INIZCTEOSA-N 0 0 406.446 4.100 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000563476756 945196840 /nfs/dbraw/zinc/19/68/40/945196840.db2.gz NMLUVVSTOXVJLL-KURKYZTESA-N 0 0 400.862 4.201 20 5 HIBDRN CCCOc1ccc([C@@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC ZINC000538741944 938698580 /nfs/dbraw/zinc/69/85/80/938698580.db2.gz ZCYHZTVRAJDUFS-LLVKDONJSA-N 0 0 414.505 4.030 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000538742453 938699035 /nfs/dbraw/zinc/69/90/35/938699035.db2.gz QLVSUDUEHYSHDJ-UHFFFAOYSA-N 0 0 404.470 4.124 20 5 HIBDRN O=C(CCn1c2ccccc2nc1C1CC1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000538788828 938711634 /nfs/dbraw/zinc/71/16/34/938711634.db2.gz FLZRGDUVWAJUPM-QFIPXVFZSA-N 0 0 422.510 4.486 20 5 HIBDRN CCC[C@@H](C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000538823620 938720609 /nfs/dbraw/zinc/72/06/09/938720609.db2.gz OYNCJTKYKQFZNX-GOSISDBHSA-N 0 0 407.474 4.040 20 5 HIBDRN COc1cc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)ccc1[N+](=O)[O-] ZINC000538858082 938726197 /nfs/dbraw/zinc/72/61/97/938726197.db2.gz LKVCIYLGXITVCE-XYOKQWHBSA-N 0 0 417.343 4.276 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3-c3nc[nH]n3)cc2[N+](=O)[O-])C1 ZINC000538897827 938733233 /nfs/dbraw/zinc/73/32/33/938733233.db2.gz DVPYYEHMEXZBBB-GASCZTMLSA-N 0 0 420.473 4.115 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538902065 938734095 /nfs/dbraw/zinc/73/40/95/938734095.db2.gz ILHACYVPRUGXNT-BUXKBTBVSA-N 0 0 410.829 4.049 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ccn(-c5ccc(F)cc5F)n4)n3)c2c1 ZINC000563479781 945199859 /nfs/dbraw/zinc/19/98/59/945199859.db2.gz RZYDZRIKGZAFAM-UHFFFAOYSA-N 0 0 422.351 4.181 20 5 HIBDRN 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HIBDRN CN(CC(=O)NCc1cccs1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539839755 938954535 /nfs/dbraw/zinc/95/45/35/938954535.db2.gz CDRPBKBZTRBBBV-UHFFFAOYSA-N 0 0 419.890 4.318 20 5 HIBDRN CCCCNC(=O)C1(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCCCC1 ZINC000539932118 938978974 /nfs/dbraw/zinc/97/89/74/938978974.db2.gz NZELHJKICOLKMU-UHFFFAOYSA-N 0 0 424.501 4.006 20 5 HIBDRN COc1cc(CSCc2ncn(-c3ccccc3)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000539952296 938981005 /nfs/dbraw/zinc/98/10/05/938981005.db2.gz RMYMCVSEYJVNON-UHFFFAOYSA-N 0 0 422.413 4.219 20 5 HIBDRN CCn1c2cc(Br)ccc2nc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000540005000 939036591 /nfs/dbraw/zinc/03/65/91/939036591.db2.gz LMFMVYDKHZBICM-UHFFFAOYSA-N 0 0 403.236 4.288 20 5 HIBDRN O=C([C@@H]1CC12CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2)N1CCCCC1 ZINC000540027623 939043244 /nfs/dbraw/zinc/04/32/44/939043244.db2.gz OBAPOVSLIKXAFA-IBGZPJMESA-N 0 0 420.513 4.276 20 5 HIBDRN CCc1nc2ccccc2n1C1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000540053436 939051498 /nfs/dbraw/zinc/05/14/98/939051498.db2.gz BPCRIUOWBSQGAE-INIZCTEOSA-N 0 0 421.501 4.171 20 5 HIBDRN CC(C)(CCCO)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000540119511 939079878 /nfs/dbraw/zinc/07/98/78/939079878.db2.gz DETXZAASYNDVPO-UHFFFAOYSA-N 0 0 419.909 4.389 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)n1 ZINC000540125400 939081830 /nfs/dbraw/zinc/08/18/30/939081830.db2.gz NSCTVWKQTFCCJN-UHFFFAOYSA-N 0 0 407.361 4.060 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000540210028 939128803 /nfs/dbraw/zinc/12/88/03/939128803.db2.gz PTHTYVZMGYHHPQ-LAUBAEHRSA-N 0 0 409.486 4.084 20 5 HIBDRN C[C@H](NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000540254095 939171882 /nfs/dbraw/zinc/17/18/82/939171882.db2.gz GWMWKGMCGUOYKH-UZCIPKQKSA-N 0 0 407.829 4.278 20 5 HIBDRN O=[N+]([O-])c1ccc(NCCCS(=O)(=O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000540283962 939183365 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O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000540624116 939322976 /nfs/dbraw/zinc/32/29/76/939322976.db2.gz VTLCKFOIHYBLJL-OAHLLOKOSA-N 0 0 422.281 4.412 20 5 HIBDRN CC(C)c1cccc(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)o2)c1 ZINC000540649833 939330760 /nfs/dbraw/zinc/33/07/60/939330760.db2.gz CILXTMBFEZMIKZ-UHFFFAOYSA-N 0 0 420.469 4.336 20 5 HIBDRN Cc1nn(C)c(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000540719008 939347853 /nfs/dbraw/zinc/34/78/53/939347853.db2.gz CGNQPBNYCLCCJH-CABCVRRESA-N 0 0 410.396 4.064 20 5 HIBDRN Cc1nn(C)c(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000540719016 939347900 /nfs/dbraw/zinc/34/79/00/939347900.db2.gz CGNQPBNYCLCCJH-HUUCEWRRSA-N 0 0 410.396 4.064 20 5 HIBDRN COc1cc(CCNC(=O)N2CCCC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000540730042 939351109 /nfs/dbraw/zinc/35/11/09/939351109.db2.gz NFBGFKLBXFFVEB-GOSISDBHSA-N 0 0 413.474 4.091 20 5 HIBDRN CC(=O)c1ccc(OCc2cc3c(cc2Br)OCCCO3)c([N+](=O)[O-])c1 ZINC000540730314 939351549 /nfs/dbraw/zinc/35/15/49/939351549.db2.gz UBUKZACZDYMFBV-UHFFFAOYSA-N 0 0 422.231 4.300 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1ccccc1 ZINC000540734584 939352788 /nfs/dbraw/zinc/35/27/88/939352788.db2.gz WSWBNQGCJJUCRZ-UHFFFAOYSA-N 0 0 401.488 4.198 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(=O)[nH]nc(CC)c1CC ZINC000540771296 939366580 /nfs/dbraw/zinc/36/65/80/939366580.db2.gz KXLLSLSUTPIDLG-UHFFFAOYSA-N 0 0 418.519 4.037 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540801465 939377549 /nfs/dbraw/zinc/37/75/49/939377549.db2.gz YVSNDRPZFLFGGJ-TZIWHRDSSA-N 0 0 419.884 4.270 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000540820393 939383619 /nfs/dbraw/zinc/38/36/19/939383619.db2.gz CHXWPWVWLMBTKW-OAHLLOKOSA-N 0 0 401.438 4.335 20 5 HIBDRN COc1ccc(CNC(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000540828336 939386839 /nfs/dbraw/zinc/38/68/39/939386839.db2.gz GAHWEGDEGYIRTC-UHFFFAOYSA-N 0 0 410.257 4.399 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000540850715 939393942 /nfs/dbraw/zinc/39/39/42/939393942.db2.gz MGVLLKXJSRXDMG-OAHLLOKOSA-N 0 0 423.498 4.122 20 5 HIBDRN O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000540859085 939398059 /nfs/dbraw/zinc/39/80/59/939398059.db2.gz SOIRXIMSZPISEK-UHFFFAOYSA-N 0 0 420.425 4.139 20 5 HIBDRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000540859497 939398456 /nfs/dbraw/zinc/39/84/56/939398456.db2.gz UUQMECNROZHIJH-OAHLLOKOSA-N 0 0 404.426 4.424 20 5 HIBDRN CCOC(=O)CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)c1ccccc1 ZINC000540863798 939401403 /nfs/dbraw/zinc/40/14/03/939401403.db2.gz DLOCUIXRSIFLRU-INIZCTEOSA-N 0 0 409.442 4.376 20 5 HIBDRN COc1ccc(-c2noc(CSCCc3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 ZINC000540868232 939404667 /nfs/dbraw/zinc/40/46/67/939404667.db2.gz QCBYEYFKGPXXIZ-UHFFFAOYSA-N 0 0 401.444 4.138 20 5 HIBDRN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nn1-c1cccc(F)c1 ZINC000540876797 939407226 /nfs/dbraw/zinc/40/72/26/939407226.db2.gz BTAKGRDJPOJFEK-UHFFFAOYSA-N 0 0 406.320 4.082 20 5 HIBDRN CCOc1cc(-c2ccccc2)sc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000540882756 939408774 /nfs/dbraw/zinc/40/87/74/939408774.db2.gz HRWVJJOZGYZXME-UHFFFAOYSA-N 0 0 409.467 4.316 20 5 HIBDRN O=[N+]([O-])c1c(N[C@@H](CCO)c2ccccc2Br)ccc2ncccc21 ZINC000541005122 939429525 /nfs/dbraw/zinc/42/95/25/939429525.db2.gz NEYHQMTXTBCACP-INIZCTEOSA-N 0 0 402.248 4.441 20 5 HIBDRN C[C@@](NC(=O)CCOc1ccccc1[N+](=O)[O-])(c1ccc(F)cc1)C(F)(F)F ZINC000541011730 939430999 /nfs/dbraw/zinc/43/09/99/939430999.db2.gz ULIDJJBPTMSQMU-QGZVFWFLSA-N 0 0 400.328 4.097 20 5 HIBDRN C[C@@](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)(c1ccc(F)cc1)C(F)(F)F ZINC000541011495 939431013 /nfs/dbraw/zinc/43/10/13/939431013.db2.gz YDYJXWFEKLUMER-GOSISDBHSA-N 0 0 422.338 4.127 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccn(-c2c(F)cccc2F)n1 ZINC000541068587 939448846 /nfs/dbraw/zinc/44/88/46/939448846.db2.gz LTYCMWSXHQFJPO-UHFFFAOYSA-N 0 0 412.274 4.330 20 5 HIBDRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000541068265 939448868 /nfs/dbraw/zinc/44/88/68/939448868.db2.gz SAPOJCHXZLRXEY-QGZVFWFLSA-N 0 0 421.375 4.052 20 5 HIBDRN CC(C)Cn1ncc2cc(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cnc21 ZINC000541068870 939448924 /nfs/dbraw/zinc/44/89/24/939448924.db2.gz NRGJRFDJEBFSHV-UHFFFAOYSA-N 0 0 407.352 4.267 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000541111710 939464072 /nfs/dbraw/zinc/46/40/72/939464072.db2.gz PLAQTVPXHFSMIJ-ZDUSSCGKSA-N 0 0 423.269 4.230 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000541112274 939464466 /nfs/dbraw/zinc/46/44/66/939464466.db2.gz YLCCPKPXKMNXLH-HNNXBMFYSA-N 0 0 422.281 4.456 20 5 HIBDRN Cc1ccc(C2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cn1 ZINC000541177200 939484419 /nfs/dbraw/zinc/48/44/19/939484419.db2.gz JIEZIYVFKXFPMT-UHFFFAOYSA-N 0 0 406.389 4.311 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(Oc3nncc4ccccc43)cc2)cccc1[N+](=O)[O-] ZINC000541245085 939487292 /nfs/dbraw/zinc/48/72/92/939487292.db2.gz QFTVQAVFLLAESV-UHFFFAOYSA-N 0 0 401.382 4.165 20 5 HIBDRN Cn1cc(CNc2ccc(Cl)c(C[S@](C)=O)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000541256786 939488012 /nfs/dbraw/zinc/48/80/12/939488012.db2.gz PWPXUDJBYXKZRP-NDEPHWFRSA-N 0 0 418.906 4.139 20 5 HIBDRN COc1ccc(C[C@@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000541265307 939488425 /nfs/dbraw/zinc/48/84/25/939488425.db2.gz MNNYBLLNYYIDNF-GFCCVEGCSA-N 0 0 424.906 4.105 20 5 HIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000541268233 939488579 /nfs/dbraw/zinc/48/85/79/939488579.db2.gz UKRPKPFODLANGZ-INIZCTEOSA-N 0 0 402.472 4.068 20 5 HIBDRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541274779 939488893 /nfs/dbraw/zinc/48/88/93/939488893.db2.gz XLIVBCPSGOBXJS-ADLMAVQZSA-N 0 0 412.870 4.372 20 5 HIBDRN O=C(Nc1nc(Cc2ccccc2Br)cs1)c1ccc([N+](=O)[O-])cn1 ZINC000541276271 939488976 /nfs/dbraw/zinc/48/89/76/939488976.db2.gz IMZKDQCQPGMKSG-UHFFFAOYSA-N 0 0 419.260 4.052 20 5 HIBDRN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000541282189 939489182 /nfs/dbraw/zinc/48/91/82/939489182.db2.gz MDAGVQULNMBFKL-VLIAUNLRSA-N 0 0 416.524 4.105 20 5 HIBDRN O=C(c1cnc(OCC2CC2)c(Cl)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000541294937 939489809 /nfs/dbraw/zinc/48/98/09/939489809.db2.gz JHOBYNNGMVIPDP-UHFFFAOYSA-N 0 0 401.850 4.237 20 5 HIBDRN COc1ccc(C2(CNC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CCC2)cc1 ZINC000541368875 939498486 /nfs/dbraw/zinc/49/84/86/939498486.db2.gz IUFJOEDMQMHZBG-UHFFFAOYSA-N 0 0 406.385 4.057 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(Br)s1 ZINC000541368998 939498534 /nfs/dbraw/zinc/49/85/34/939498534.db2.gz KLKRJHNAHRYCJB-GFCCVEGCSA-N 0 0 411.277 4.161 20 5 HIBDRN Cc1c(C[S@@](C)=O)cccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541432287 939514505 /nfs/dbraw/zinc/51/45/05/939514505.db2.gz RUVNGAXAEZDDNU-AREMUKBSSA-N 0 0 412.920 4.166 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)cc1[N+](=O)[O-] ZINC000541503586 939537947 /nfs/dbraw/zinc/53/79/47/939537947.db2.gz IGWFVEGRMNOPMD-UHFFFAOYSA-N 0 0 423.429 4.161 20 5 HIBDRN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000541509389 939540019 /nfs/dbraw/zinc/54/00/19/939540019.db2.gz CIGAZXAZOHKEJA-KKSFZXQISA-N 0 0 409.486 4.427 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000541525886 939544216 /nfs/dbraw/zinc/54/42/16/939544216.db2.gz WTSYTLCHHIASHF-UHFFFAOYSA-N 0 0 423.391 4.496 20 5 HIBDRN Cc1n[nH]c(C(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)c1[N+](=O)[O-] ZINC000541524977 939544307 /nfs/dbraw/zinc/54/43/07/939544307.db2.gz UFKSUGUQTBGAEY-HNNXBMFYSA-N 0 0 405.241 4.453 20 5 HIBDRN Cc1c(Br)c(N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000541577136 939559062 /nfs/dbraw/zinc/55/90/62/939559062.db2.gz IMMOHSNHCWNAHF-CQSZACIVSA-N 0 0 422.254 4.442 20 5 HIBDRN COc1cc2nc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)sc2cc1OC ZINC000541585022 939560780 /nfs/dbraw/zinc/56/07/80/939560780.db2.gz JYQGBCBRMVJCRS-SECBINFHSA-N 0 0 405.407 4.103 20 5 HIBDRN Cc1cccc(-c2nnc(Sc3ncc([N+](=O)[O-])c(C)c3Br)n2C)c1 ZINC000541590199 939561830 /nfs/dbraw/zinc/56/18/30/939561830.db2.gz KNIHMLVJPPOHPL-UHFFFAOYSA-N 0 0 420.292 4.316 20 5 HIBDRN O=C(NCc1cc(-c2ccccc2)on1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000563702748 945257832 /nfs/dbraw/zinc/25/78/32/945257832.db2.gz LWGMBJGPVZRBAM-UHFFFAOYSA-N 0 0 400.394 4.242 20 5 HIBDRN C[C@@H](C(=O)N(C)Cc1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000541605632 939567375 /nfs/dbraw/zinc/56/73/75/939567375.db2.gz WIVHYKUXILMYSK-SECBINFHSA-N 0 0 401.257 4.320 20 5 HIBDRN C[C@H](C(=O)NC1(c2ccc(Br)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541611057 939569458 /nfs/dbraw/zinc/56/94/58/939569458.db2.gz FMAWTFJVEMLZHD-NSHDSACASA-N 0 0 407.239 4.405 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541613475 939570724 /nfs/dbraw/zinc/57/07/24/939570724.db2.gz QLYFPEGOLVBXLI-BZUAXINKSA-N 0 0 415.465 4.085 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000541614990 939571208 /nfs/dbraw/zinc/57/12/08/939571208.db2.gz ZIHDGAGSXRCBEI-ZDUSSCGKSA-N 0 0 401.438 4.395 20 5 HIBDRN O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1 ZINC000541621579 939572842 /nfs/dbraw/zinc/57/28/42/939572842.db2.gz KYHMOCUDSHBELV-UHFFFAOYSA-N 0 0 420.356 4.001 20 5 HIBDRN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000541620921 939573128 /nfs/dbraw/zinc/57/31/28/939573128.db2.gz SMGCKBZPBCEASB-JOCHJYFZSA-N 0 0 422.529 4.009 20 5 HIBDRN Cc1cc(=O)n(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541628926 939575438 /nfs/dbraw/zinc/57/54/38/939575438.db2.gz RFTWMWIOBZPPOK-UHFFFAOYSA-N 0 0 401.488 4.137 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541635863 939578790 /nfs/dbraw/zinc/57/87/90/939578790.db2.gz SQVCGPZWUSWCLF-MAUKXSAKSA-N 0 0 404.463 4.496 20 5 HIBDRN C[C@H](C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541662943 939595127 /nfs/dbraw/zinc/59/51/27/939595127.db2.gz SFANKQBRRFWMGK-ZSOFBXJNSA-N 0 0 404.413 4.355 20 5 HIBDRN C[C@H](C(=O)NCCCc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000541664404 939595535 /nfs/dbraw/zinc/59/55/35/939595535.db2.gz FMTUHGIVXXZMHB-ZDUSSCGKSA-N 0 0 414.462 4.105 20 5 HIBDRN O=C(Nc1cnn(-c2ccccc2Br)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541784227 939629217 /nfs/dbraw/zinc/62/92/17/939629217.db2.gz WWAPKAUZXDEBEM-UHFFFAOYSA-N 0 0 420.198 4.326 20 5 HIBDRN Cc1nc(-c2cccc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)c2)oc1C ZINC000541799680 939636148 /nfs/dbraw/zinc/63/61/48/939636148.db2.gz XZQCMBRMGOYYBH-UHFFFAOYSA-N 0 0 401.444 4.284 20 5 HIBDRN O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000541810043 939639629 /nfs/dbraw/zinc/63/96/29/939639629.db2.gz JEACZLAUWYYLBO-GHTZIAJQSA-N 0 0 413.449 4.328 20 5 HIBDRN O=C(Nc1ccc(F)c(Br)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541931820 939657097 /nfs/dbraw/zinc/65/70/97/939657097.db2.gz BXKISLYUAQVKKE-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]2C ZINC000541933182 939657156 /nfs/dbraw/zinc/65/71/56/939657156.db2.gz MESAAKSXUJPNOI-VXGBXAGGSA-N 0 0 406.385 4.353 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cc(C4CCCC4)nn3C)cc2[N+](=O)[O-])C1 ZINC000541937612 939658311 /nfs/dbraw/zinc/65/83/11/939658311.db2.gz QEPWRYHMEAIHLV-OAHLLOKOSA-N 0 0 411.506 4.475 20 5 HIBDRN O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541943101 939659279 /nfs/dbraw/zinc/65/92/79/939659279.db2.gz PLSYAJFRFTVXBH-UHFFFAOYSA-N 0 0 420.372 4.076 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000541944520 939659837 /nfs/dbraw/zinc/65/98/37/939659837.db2.gz YSYOECJTVFXISN-UHFFFAOYSA-N 0 0 416.384 4.092 20 5 HIBDRN CC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)nc1 ZINC000541996119 939673782 /nfs/dbraw/zinc/67/37/82/939673782.db2.gz JMSQXLIRXPXVHN-UHFFFAOYSA-N 0 0 414.468 4.413 20 5 HIBDRN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541998140 939674875 /nfs/dbraw/zinc/67/48/75/939674875.db2.gz IOAIHGSWUDZXSL-MRXNPFEDSA-N 0 0 402.756 4.012 20 5 HIBDRN O=C(Nc1ccc(F)cc1)NC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542000703 939676630 /nfs/dbraw/zinc/67/66/30/939676630.db2.gz ZPFKMKMSBCFXEF-UHFFFAOYSA-N 0 0 406.845 4.173 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(NCc3ccc([N+](=O)[O-])cc3Cl)cc2)C[C@H](C)O1 ZINC000542005639 939681315 /nfs/dbraw/zinc/68/13/15/939681315.db2.gz BSKDRXDILHDOJO-KBPBESRZSA-N 0 0 403.866 4.110 20 5 HIBDRN O=C(CCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000542018261 939687923 /nfs/dbraw/zinc/68/79/23/939687923.db2.gz KVLNIWYMTDGUFP-GOSISDBHSA-N 0 0 423.391 4.016 20 5 HIBDRN Cc1ccc(Oc2ccccc2)c(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000542033002 939693512 /nfs/dbraw/zinc/69/35/12/939693512.db2.gz PYQJSSXHMTZQRD-UHFFFAOYSA-N 0 0 419.437 4.372 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1Oc1nn2cc(-c3cccnc3)nc2s1 ZINC000542044183 939697891 /nfs/dbraw/zinc/69/78/91/939697891.db2.gz QULDGXMSUXTDBO-UHFFFAOYSA-N 0 0 418.232 4.316 20 5 HIBDRN C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000542053740 939700097 /nfs/dbraw/zinc/70/00/97/939700097.db2.gz QTLGMOLIJHDDSF-FZKQIMNGSA-N 0 0 423.391 4.458 20 5 HIBDRN COc1cc(COc2ccc3c(c2F)CCC3=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000563721204 945265064 /nfs/dbraw/zinc/26/50/64/945265064.db2.gz CIUPMOLJEWDNAF-UHFFFAOYSA-N 0 0 411.332 4.094 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000542122395 939721429 /nfs/dbraw/zinc/72/14/29/939721429.db2.gz 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C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl ZINC000542252810 939772964 /nfs/dbraw/zinc/77/29/64/939772964.db2.gz HDQOZVJVCMWRFD-NSHDSACASA-N 0 0 403.287 4.026 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2cccc(Cl)c2O1 ZINC000542254895 939773595 /nfs/dbraw/zinc/77/35/95/939773595.db2.gz WJAWIOLWAIHNEQ-OAHLLOKOSA-N 0 0 412.833 4.252 20 5 HIBDRN COc1ccc(OCCN[C@@H](c2cccc(F)c2F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000542260657 939776066 /nfs/dbraw/zinc/77/60/66/939776066.db2.gz KTTDCOMXSGYWAY-INIZCTEOSA-N 0 0 406.307 4.154 20 5 HIBDRN O=C(Nc1nc(Cc2ccccc2)cs1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000542278759 939783001 /nfs/dbraw/zinc/78/30/01/939783001.db2.gz MPPDEWIBKODDCN-UHFFFAOYSA-N 0 0 405.439 4.080 20 5 HIBDRN C[C@@H]1C[C@H](CCNc2nc(NCC[C@@H]3CCO[C@H](C)C3)c([N+](=O)[O-])s2)CCO1 ZINC000542281797 939784215 /nfs/dbraw/zinc/78/42/15/939784215.db2.gz KCROWCMRXCNGAW-KLHDSHLOSA-N 0 0 412.556 4.286 20 5 HIBDRN O=C(Nc1nc(Cc2ccccc2)cs1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 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412.446 4.291 20 5 HIBDRN COc1ccccc1-c1noc([C@H](C)NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000542614439 939848504 /nfs/dbraw/zinc/84/85/04/939848504.db2.gz YKUVXZLUTUFCSI-ZDUSSCGKSA-N 0 0 421.413 4.159 20 5 HIBDRN C[C@H](NCc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 ZINC000542616712 939848969 /nfs/dbraw/zinc/84/89/69/939848969.db2.gz FLZPIQOPWFRUEV-NSHDSACASA-N 0 0 403.236 4.258 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000542719787 939856633 /nfs/dbraw/zinc/85/66/33/939856633.db2.gz NXRRBNQBFXHXQU-UHFFFAOYSA-N 0 0 415.208 4.143 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(COCc3ccco3)c2)c1 ZINC000542729598 939857474 /nfs/dbraw/zinc/85/74/74/939857474.db2.gz PQXIMSSUOUBWOM-UHFFFAOYSA-N 0 0 416.455 4.322 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000542864328 939863990 /nfs/dbraw/zinc/86/39/90/939863990.db2.gz VHRCYMHOBGJJNW-ZDUSSCGKSA-N 0 0 408.426 4.451 20 5 HIBDRN 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Cc1cc(C(=O)NCC(=O)Nc2ccccc2SC2CCCC2)ccc1[N+](=O)[O-] ZINC000543004588 939894100 /nfs/dbraw/zinc/89/41/00/939894100.db2.gz XFJBTDJQOWJBMP-UHFFFAOYSA-N 0 0 413.499 4.306 20 5 HIBDRN CN(Cc1ccc(Br)s1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000543126850 939959769 /nfs/dbraw/zinc/95/97/69/939959769.db2.gz XWKBDFYUZSXOHH-UHFFFAOYSA-N 0 0 401.307 4.170 20 5 HIBDRN COc1cccc([C@H]2C[C@H](C)CN2c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c1 ZINC000543131666 939963075 /nfs/dbraw/zinc/96/30/75/939963075.db2.gz CQMDOYFFHNPGTI-MGPUTAFESA-N 0 0 420.469 4.155 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCn2c3ccccc3c3ccccc32)s1 ZINC000543132927 939963975 /nfs/dbraw/zinc/96/39/75/939963975.db2.gz CRFQIWIDDZUBFK-UHFFFAOYSA-N 0 0 415.496 4.280 20 5 HIBDRN CCOCCCn1c2ccccc2nc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000543147055 939971418 /nfs/dbraw/zinc/97/14/18/939971418.db2.gz OPGNZEHGAPWSSM-UHFFFAOYSA-N 0 0 414.487 4.102 20 5 HIBDRN CCn1c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)nc2cc(F)ccc21 ZINC000543155152 939978786 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CCc1ccc([C@@H](Nc2cccc(-n3nnnc3C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543428085 940061469 /nfs/dbraw/zinc/06/14/69/940061469.db2.gz JGZXLMKVMVEWDT-NRFANRHFSA-N 0 0 404.430 4.236 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)[C@@H](C)CO1 ZINC000543435110 940063331 /nfs/dbraw/zinc/06/33/31/940063331.db2.gz GFZKOSJSANPOEW-LRDDRELGSA-N 0 0 406.280 4.336 20 5 HIBDRN Cc1c(Br)c(N2CCC(C(=O)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000543451186 940067124 /nfs/dbraw/zinc/06/71/24/940067124.db2.gz SPUXPRYNQSCKTN-UHFFFAOYSA-N 0 0 404.264 4.160 20 5 HIBDRN C[C@H](C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1F ZINC000543456266 940068390 /nfs/dbraw/zinc/06/83/90/940068390.db2.gz VTCDZMCTSUXPES-JTQLQIEISA-N 0 0 423.326 4.076 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000543464191 940072124 /nfs/dbraw/zinc/07/21/24/940072124.db2.gz FUYXIQOFQYWWHA-NSHDSACASA-N 0 0 414.418 4.185 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1)c1ccc([N+](=O)[O-])cc1F 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HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(Oc2cnccn2)c1 ZINC000543853502 940209436 /nfs/dbraw/zinc/20/94/36/940209436.db2.gz ZLORWAKDMIUUEO-UHFFFAOYSA-N 0 0 404.304 4.448 20 5 HIBDRN COC(=O)c1ccc(-c2nc(CNc3cc([N+](=O)[O-])ccc3OC(F)F)co2)cc1 ZINC000543863145 940215246 /nfs/dbraw/zinc/21/52/46/940215246.db2.gz MEXAIIKHXBVVMP-UHFFFAOYSA-N 0 0 419.340 4.250 20 5 HIBDRN COc1ccc(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000543886041 940226049 /nfs/dbraw/zinc/22/60/49/940226049.db2.gz USWBHECKIUOOIL-WMLDXEAASA-N 0 0 409.801 4.048 20 5 HIBDRN COc1ccc(NC(=O)NCCOc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000543889296 940227294 /nfs/dbraw/zinc/22/72/94/940227294.db2.gz JBKHVULPZOIBPR-UHFFFAOYSA-N 0 0 400.218 4.111 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1Br ZINC000543894289 940230501 /nfs/dbraw/zinc/23/05/01/940230501.db2.gz WGENKRPHGSRENM-SNVBAGLBSA-N 0 0 424.251 4.257 20 5 HIBDRN COc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000543930912 940251080 /nfs/dbraw/zinc/25/10/80/940251080.db2.gz PPNCVUYHSNQTTH-INIZCTEOSA-N 0 0 419.865 4.099 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]2Cc2c(F)cccc2Cl)s1 ZINC000543948369 940260546 /nfs/dbraw/zinc/26/05/46/940260546.db2.gz DUIRSJWBJOHNSN-SNVBAGLBSA-N 0 0 418.899 4.064 20 5 HIBDRN Cc1c(Cl)c(C(F)(F)F)nn1Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000563839826 945310218 /nfs/dbraw/zinc/31/02/18/945310218.db2.gz FMYBMKYYXHEHBI-UHFFFAOYSA-N 0 0 401.732 4.179 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NC[C@@H]2CCCCS2)cc1[N+](=O)[O-])c1ccccn1 ZINC000544058487 940313169 /nfs/dbraw/zinc/31/31/69/940313169.db2.gz ALTZVWPKQYGAGE-ZBFHGGJFSA-N 0 0 400.504 4.178 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000544064317 940315560 /nfs/dbraw/zinc/31/55/60/940315560.db2.gz OAFHRIJMXMAYLN-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000563841367 945311026 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Cc1c(Br)c(N2CCC[C@H]2CC(=O)c2cccs2)ncc1[N+](=O)[O-] ZINC000544394822 940410981 /nfs/dbraw/zinc/41/09/81/940410981.db2.gz RBNIDRQCFNESGL-NSHDSACASA-N 0 0 410.293 4.364 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)c21 ZINC000544396463 940411425 /nfs/dbraw/zinc/41/14/25/940411425.db2.gz DDSJCXADEXSKBO-JTQLQIEISA-N 0 0 409.393 4.397 20 5 HIBDRN CCOCCOCc1cccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)c1 ZINC000544396047 940411450 /nfs/dbraw/zinc/41/14/50/940411450.db2.gz UHSWUWWPSCXDEM-UHFFFAOYSA-N 0 0 424.295 4.226 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)c21 ZINC000544396464 940411465 /nfs/dbraw/zinc/41/14/65/940411465.db2.gz DDSJCXADEXSKBO-SNVBAGLBSA-N 0 0 409.393 4.397 20 5 HIBDRN Cc1cc(N2CCSCC2)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544422905 940422540 /nfs/dbraw/zinc/42/25/40/940422540.db2.gz GXAIIIVGLGTZAB-AWEZNQCLSA-N 0 0 403.479 4.338 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1CN1CCSCC1)c1ccc([N+](=O)[O-])cc1F ZINC000544426696 940425359 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0 0 420.410 4.138 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(-c3nc(-c4ccc(N5CCOCC5)c(F)c4)no3)cc2c1 ZINC000545008135 940533098 /nfs/dbraw/zinc/53/30/98/940533098.db2.gz WQRNAJFDTJJZOT-UHFFFAOYSA-N 0 0 410.361 4.034 20 5 HIBDRN CCC[C@@H]1C[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CCO1 ZINC000545008574 940533125 /nfs/dbraw/zinc/53/31/25/940533125.db2.gz INUHSWDHGZZUCF-TZMCWYRMSA-N 0 0 410.268 4.394 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(COCC(F)(F)F)cc3)no2)cc1 ZINC000545010512 940533333 /nfs/dbraw/zinc/53/33/33/940533333.db2.gz BEXUHMKLITWKMN-UHFFFAOYSA-N 0 0 409.320 4.303 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(Oc4ccccc4Cl)nc3)n2)nc1 ZINC000545070681 940538962 /nfs/dbraw/zinc/53/89/62/940538962.db2.gz ZPIDJYFDLMAGQX-UHFFFAOYSA-N 0 0 409.789 4.471 20 5 HIBDRN Cc1nn(C)c(-c2nc(-c3cccc(Oc4ccc(Cl)cc4)n3)no2)c1[N+](=O)[O-] ZINC000545075881 940539783 /nfs/dbraw/zinc/53/97/83/940539783.db2.gz VJIZFFBZOIIOHD-UHFFFAOYSA-N 0 0 412.793 4.194 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ccc(N5CCCC5)cn4)no3)cs2)cc1 ZINC000545089769 940541528 /nfs/dbraw/zinc/54/15/28/940541528.db2.gz JQOBNAKEVOBLJK-UHFFFAOYSA-N 0 0 420.454 4.431 20 5 HIBDRN CO[C@H](c1noc(-c2ccc([N+](=O)[O-])c(C)c2)n1)c1ccc(Br)cc1 ZINC000545101832 940542564 /nfs/dbraw/zinc/54/25/64/940542564.db2.gz RIWBWLBQZDRLPF-HNNXBMFYSA-N 0 0 404.220 4.452 20 5 HIBDRN CSc1ccc(C(=O)N[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000545108224 940543353 /nfs/dbraw/zinc/54/33/53/940543353.db2.gz RGIKXOWTAQMKPI-GOSISDBHSA-N 0 0 416.890 4.223 20 5 HIBDRN CC(C)(C(=O)Nc1nnc(Cc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000545111777 940543795 /nfs/dbraw/zinc/54/37/95/940543795.db2.gz ORWRNHSOQXJLGJ-UHFFFAOYSA-N 0 0 418.425 4.232 20 5 HIBDRN CO[C@H](C)c1nc(Cc2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)cs1 ZINC000545115342 940544293 /nfs/dbraw/zinc/54/42/93/940544293.db2.gz HBIHKSLDMNDDEO-SNVBAGLBSA-N 0 0 424.866 4.007 20 5 HIBDRN CC(C)(C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000545119556 940544574 /nfs/dbraw/zinc/54/45/74/940544574.db2.gz OEATVYYNSUOTCL-AWEZNQCLSA-N 0 0 405.857 4.060 20 5 HIBDRN CC1(CO)CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000545141857 940548990 /nfs/dbraw/zinc/54/89/90/940548990.db2.gz XOXXKWAJJLOXAX-UHFFFAOYSA-N 0 0 417.893 4.095 20 5 HIBDRN Cc1cc(Cc2noc(-c3ccc(CNC(=O)C4CCCC4)cc3)n2)ccc1[N+](=O)[O-] ZINC000545143671 940549621 /nfs/dbraw/zinc/54/96/21/940549621.db2.gz FGOZDALLRJXDGD-UHFFFAOYSA-N 0 0 420.469 4.350 20 5 HIBDRN CNc1ccc(-c2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)cc1[N+](=O)[O-] ZINC000545144343 940550104 /nfs/dbraw/zinc/55/01/04/940550104.db2.gz RMGBAFZYBBNUNR-ZDUSSCGKSA-N 0 0 416.821 4.175 20 5 HIBDRN CC(=O)Nc1ccc(/C=C\c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 ZINC000545146192 940550699 /nfs/dbraw/zinc/55/06/99/940550699.db2.gz XUMJLAIAKWOAMD-WTKPLQERSA-N 0 0 403.398 4.179 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000563962711 945330974 /nfs/dbraw/zinc/33/09/74/945330974.db2.gz 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OGBCUOHFUQHATK-UHFFFAOYSA-N 0 0 401.438 4.067 20 5 HIBDRN COCCOc1c(Cl)cccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000546529480 940845236 /nfs/dbraw/zinc/84/52/36/940845236.db2.gz ILLWPBLMXZHQFY-UHFFFAOYSA-N 0 0 410.829 4.329 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000546534506 940846431 /nfs/dbraw/zinc/84/64/31/940846431.db2.gz SVGASFDADVUNQF-GFCCVEGCSA-N 0 0 423.847 4.199 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1F ZINC000546536515 940846654 /nfs/dbraw/zinc/84/66/54/940846654.db2.gz IVBAFCOYDYDFPP-UHFFFAOYSA-N 0 0 422.416 4.298 20 5 HIBDRN COc1ccc(COCCCc2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000546547993 940849496 /nfs/dbraw/zinc/84/94/96/940849496.db2.gz MNMJNUWRCBDDSI-UHFFFAOYSA-N 0 0 408.414 4.284 20 5 HIBDRN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546769884 940879801 /nfs/dbraw/zinc/87/98/01/940879801.db2.gz YJOXUGPIGHCSRT-NSHDSACASA-N 0 0 403.287 4.424 20 5 HIBDRN Cc1nnc([C@H](C)N[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)s1 ZINC000546809618 940886393 /nfs/dbraw/zinc/88/63/93/940886393.db2.gz ZPICRAGJYCAPBP-SCLBCKFNSA-N 0 0 411.487 4.094 20 5 HIBDRN CCCc1c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cnn1-c1cc(C)ccn1 ZINC000546912469 940910749 /nfs/dbraw/zinc/91/07/49/940910749.db2.gz NWXQAOHUPRIMCQ-UHFFFAOYSA-N 0 0 407.474 4.353 20 5 HIBDRN COc1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC(C)C ZINC000546928401 940916109 /nfs/dbraw/zinc/91/61/09/940916109.db2.gz ZVHILHMIQOXPQG-UHFFFAOYSA-N 0 0 407.854 4.408 20 5 HIBDRN O=C(CC1CCCC1)NC1CCC(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000546944541 940921753 /nfs/dbraw/zinc/92/17/53/940921753.db2.gz MPHXBAAQDFAGQT-UHFFFAOYSA-N 0 0 412.490 4.291 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)c2nc(Cc3ccc(Br)cc3)no2)cc1 ZINC000546961184 940928165 /nfs/dbraw/zinc/92/81/65/940928165.db2.gz CIVOVRAGDZFBLJ-UHFFFAOYSA-N 0 0 410.174 4.471 20 5 HIBDRN COc1cc(OCc2nc(Cc3ccc(Cl)cc3Cl)no2)ccc1[N+](=O)[O-] ZINC000546959272 940928190 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412.446 4.440 20 5 HIBDRN Cc1c(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cnn1-c1cccc(C)c1 ZINC000547082647 940988258 /nfs/dbraw/zinc/98/82/58/940988258.db2.gz ACXLRYWICPMUDP-UHFFFAOYSA-N 0 0 404.430 4.102 20 5 HIBDRN COc1ccc(Cc2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)cc1OC(F)F ZINC000547089514 940990978 /nfs/dbraw/zinc/99/09/78/940990978.db2.gz DXSDBJIRVSNHAP-VURMDHGXSA-N 0 0 403.341 4.349 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(-c2ccc(Oc3cccnc3)cc2)n1 ZINC000547089189 940991167 /nfs/dbraw/zinc/99/11/67/940991167.db2.gz POVLSYNUISUNHS-UHFFFAOYSA-N 0 0 403.398 4.487 20 5 HIBDRN COc1ccc(CSCc2nc([C@@H]3CCOc4ccccc43)no2)cc1[N+](=O)[O-] ZINC000547104896 940997637 /nfs/dbraw/zinc/99/76/37/940997637.db2.gz XMFBGKNOWHFYGF-OAHLLOKOSA-N 0 0 413.455 4.334 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2csc(-c3ccc4c(c3)OCO4)n2)n1 ZINC000547106946 940999450 /nfs/dbraw/zinc/99/94/50/940999450.db2.gz OYEJVSXYJMOMDI-UHFFFAOYSA-N 0 0 408.395 4.472 20 5 HIBDRN 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941029948 /nfs/dbraw/zinc/02/99/48/941029948.db2.gz NSEVSOKCEYUDIL-UHFFFAOYSA-N 0 0 400.398 4.211 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)c1 ZINC000547225518 941037718 /nfs/dbraw/zinc/03/77/18/941037718.db2.gz AYWYKIWQHWSPQE-SFHVURJKSA-N 0 0 416.890 4.223 20 5 HIBDRN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCc1cc(Cl)cc2cccnc21 ZINC000547228538 941038287 /nfs/dbraw/zinc/03/82/87/941038287.db2.gz DJBUVWIHTDELEJ-UHFFFAOYSA-N 0 0 412.858 4.336 20 5 HIBDRN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCc1ccccc1Oc1cccnc1 ZINC000547254289 941044640 /nfs/dbraw/zinc/04/46/40/941044640.db2.gz NVKFOTOGGRWNSH-UHFFFAOYSA-N 0 0 420.450 4.321 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(Cc2nc(-c3ccccc3)nn2C)no1 ZINC000547254869 941044911 /nfs/dbraw/zinc/04/49/11/941044911.db2.gz AQRZCLGIGCXMIB-CYBMUJFWSA-N 0 0 422.470 4.217 20 5 HIBDRN C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000547264613 941047926 /nfs/dbraw/zinc/04/79/26/941047926.db2.gz 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CC(C)n1cc([C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cn1 ZINC000547710679 941072932 /nfs/dbraw/zinc/07/29/32/941072932.db2.gz WTWJMGOMKYSYEZ-LBPRGKRZSA-N 0 0 410.424 4.228 20 5 HIBDRN Cc1csc(Oc2ccc(NC(=O)CNc3ccccc3[N+](=O)[O-])cc2F)n1 ZINC000547751525 941074659 /nfs/dbraw/zinc/07/46/59/941074659.db2.gz FZXQJTJIFVPVRY-UHFFFAOYSA-N 0 0 402.407 4.342 20 5 HIBDRN C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000547773774 941075315 /nfs/dbraw/zinc/07/53/15/941075315.db2.gz NHNKLMITUJVYCO-INIZCTEOSA-N 0 0 423.494 4.176 20 5 HIBDRN CNc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc1[N+](=O)[O-] ZINC000547813952 941076792 /nfs/dbraw/zinc/07/67/92/941076792.db2.gz RUQIXENPDNWVAY-UHFFFAOYSA-N 0 0 407.814 4.200 20 5 HIBDRN CSc1cccc(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)c1[N+](=O)[O-] ZINC000547946831 941080048 /nfs/dbraw/zinc/08/00/48/941080048.db2.gz YUPGTVDWDQSURY-UHFFFAOYSA-N 0 0 402.472 4.453 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000547994391 941082635 /nfs/dbraw/zinc/08/26/35/941082635.db2.gz PZMSRKRQXWAEDO-UHFFFAOYSA-N 0 0 419.363 4.180 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000548003044 941083397 /nfs/dbraw/zinc/08/33/97/941083397.db2.gz GQXNPYPQXHWEMR-UHFFFAOYSA-N 0 0 422.407 4.304 20 5 HIBDRN CC(C)(C)OC(=O)C1(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCCC1 ZINC000548040322 941083984 /nfs/dbraw/zinc/08/39/84/941083984.db2.gz KWONRYZDHLFATI-UHFFFAOYSA-N 0 0 406.482 4.066 20 5 HIBDRN Cc1cccnc1OC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000548062523 941084974 /nfs/dbraw/zinc/08/49/74/941084974.db2.gz DDRAECOEKLPUDW-UHFFFAOYSA-N 0 0 421.906 4.114 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC000548089733 941086353 /nfs/dbraw/zinc/08/63/53/941086353.db2.gz TYXGDVYKCZBFBJ-UHFFFAOYSA-N 0 0 410.376 4.077 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000548094210 941086544 /nfs/dbraw/zinc/08/65/44/941086544.db2.gz BMOPXTAHKNGOSP-UHFFFAOYSA-N 0 0 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ZINC000552872275 941794918 /nfs/dbraw/zinc/79/49/18/941794918.db2.gz ZFCSNOYFUBGALP-HXUWFJFHSA-N 0 0 420.469 4.023 20 5 HIBDRN Cc1nn(C)c(C(=O)Nc2cccc(-c3ccc(Br)cc3)c2)c1[N+](=O)[O-] ZINC000553060275 941826472 /nfs/dbraw/zinc/82/64/72/941826472.db2.gz FCVOHMZPVMNSGH-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN COC(=O)c1cc(C)nc(Sc2nnc(-c3ccc(Cl)s3)o2)c1[N+](=O)[O-] ZINC000553076451 941829354 /nfs/dbraw/zinc/82/93/54/941829354.db2.gz MQPMZFHHDQTACA-UHFFFAOYSA-N 0 0 412.836 4.001 20 5 HIBDRN CC(C)(COc1ccc(C(F)(F)F)cn1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000553132368 941837779 /nfs/dbraw/zinc/83/77/79/941837779.db2.gz JUEYLTVWHDCRPQ-UHFFFAOYSA-N 0 0 413.381 4.283 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nc(C)c(-c3ccc(Cl)cc3)o2)n1 ZINC000553149172 941841102 /nfs/dbraw/zinc/84/11/02/941841102.db2.gz YYMXZFXPSBMLNO-UHFFFAOYSA-N 0 0 402.794 4.005 20 5 HIBDRN CCCCc1c(C)nc2nc(Sc3ncnc4sc([N+](=O)[O-])cc43)nn2c1C ZINC000553291598 941861710 /nfs/dbraw/zinc/86/17/10/941861710.db2.gz BEQJWYOLIZPRDV-UHFFFAOYSA-N 0 0 415.504 4.148 20 5 HIBDRN COc1cccc(Oc2ccc(CNc3ncnc4sc([N+](=O)[O-])cc43)cn2)c1 ZINC000553296566 941862769 /nfs/dbraw/zinc/86/27/69/941862769.db2.gz IJEDAZNGPDASLS-UHFFFAOYSA-N 0 0 409.427 4.408 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCOC[C@@H]2CC(F)F)cc1[N+](=O)[O-] ZINC000553313134 941865975 /nfs/dbraw/zinc/86/59/75/941865975.db2.gz XLIHHZGDFJDGSL-AWEZNQCLSA-N 0 0 402.463 4.229 20 5 HIBDRN COC(=O)c1cc(C)nc(N(Cc2ccco2)Cc2ccc(C)s2)c1[N+](=O)[O-] ZINC000553319435 941866952 /nfs/dbraw/zinc/86/69/52/941866952.db2.gz KIXOSZWRGJXEPZ-UHFFFAOYSA-N 0 0 401.444 4.255 20 5 HIBDRN CC1(C)CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](COc2ccccc2)O1 ZINC000553343169 941870075 /nfs/dbraw/zinc/87/00/75/941870075.db2.gz GYUTWGLPMSIPRD-AWEZNQCLSA-N 0 0 411.380 4.071 20 5 HIBDRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000553343195 941870222 /nfs/dbraw/zinc/87/02/22/941870222.db2.gz HUGCRZPTLVHJQO-UHFFFAOYSA-N 0 0 419.285 4.312 20 5 HIBDRN O=C(Nc1ccccc1Br)C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000553378533 941875752 /nfs/dbraw/zinc/87/57/52/941875752.db2.gz ATGPCZWDFGJBGK-UHFFFAOYSA-N 0 0 422.254 4.352 20 5 HIBDRN CN(C(=O)c1cn(C)nc1-c1ccccc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000553384313 941877695 /nfs/dbraw/zinc/87/76/95/941877695.db2.gz JDZHDGLLLUHNLZ-UHFFFAOYSA-N 0 0 419.466 4.395 20 5 HIBDRN COc1ccc(CC(=O)Nc2nc3c(cccc3Br)s2)cc1[N+](=O)[O-] ZINC000553410241 941880643 /nfs/dbraw/zinc/88/06/43/941880643.db2.gz UGWNYTFZKCMPTL-UHFFFAOYSA-N 0 0 422.260 4.157 20 5 HIBDRN Cc1noc(C)c1C(C)(C)NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000553410270 941880985 /nfs/dbraw/zinc/88/09/85/941880985.db2.gz WKNWBEXWTYDFTA-KBPBESRZSA-N 0 0 414.506 4.347 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000553422941 941882282 /nfs/dbraw/zinc/88/22/82/941882282.db2.gz SIGOQSYZXNJFPG-LRDDRELGSA-N 0 0 416.524 4.029 20 5 HIBDRN Cc1ccc(CNc2ncnc3sc([N+](=O)[O-])cc32)c(OC[C@@H]2CCCO2)c1 ZINC000553426288 941882754 /nfs/dbraw/zinc/88/27/54/941882754.db2.gz BHDYSTINIPPRDS-AWEZNQCLSA-N 0 0 400.460 4.078 20 5 HIBDRN COc1cccc(OC(F)(F)F)c1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000553474467 941891588 /nfs/dbraw/zinc/89/15/88/941891588.db2.gz RUYPYWBKIDAYLT-NSHDSACASA-N 0 0 413.352 4.062 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000553516838 941900848 /nfs/dbraw/zinc/90/08/48/941900848.db2.gz RGNFFZYOPUYOEO-SSDOTTSWSA-N 0 0 400.386 4.148 20 5 HIBDRN Cc1nnsc1CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000553525639 941902909 /nfs/dbraw/zinc/90/29/09/941902909.db2.gz ICAVWQIIVHISKO-UHFFFAOYSA-N 0 0 420.903 4.489 20 5 HIBDRN Cc1cc(C2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2)ccc1Br ZINC000553540823 941905192 /nfs/dbraw/zinc/90/51/92/941905192.db2.gz KSSFDZOWXBFAJE-UHFFFAOYSA-N 0 0 418.291 4.149 20 5 HIBDRN O=C1CSc2ccc(Nc3ncnc4sc([N+](=O)[O-])cc43)cc2N1CC(F)F ZINC000553564570 941910018 /nfs/dbraw/zinc/91/00/18/941910018.db2.gz XKIMBZWPAPYLEK-UHFFFAOYSA-N 0 0 423.426 4.047 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCOc3c(Br)cccc32)s1 ZINC000553591374 941915383 /nfs/dbraw/zinc/91/53/83/941915383.db2.gz XTLNEOJURGGNIP-NSHDSACASA-N 0 0 407.249 4.298 20 5 HIBDRN C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000553646378 941931997 /nfs/dbraw/zinc/93/19/97/941931997.db2.gz PNYIWFIJSKYXGP-LBPRGKRZSA-N 0 0 411.355 4.104 20 5 HIBDRN O=C(Nc1cccc(-c2ccccc2)c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000553662481 941937611 /nfs/dbraw/zinc/93/76/11/941937611.db2.gz OYRGJKVFJCYUJJ-UHFFFAOYSA-N 0 0 415.405 4.168 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 ZINC000553687598 941944193 /nfs/dbraw/zinc/94/41/93/941944193.db2.gz VSAPBQHCJYAUNM-NSHDSACASA-N 0 0 400.403 4.163 20 5 HIBDRN CC(C)(NC(=O)Cc1c[nH]c2cc(Br)ccc12)c1ccccc1[N+](=O)[O-] ZINC000553719067 941951564 /nfs/dbraw/zinc/95/15/64/941951564.db2.gz AXBVUSNOWUCFGN-UHFFFAOYSA-N 0 0 416.275 4.433 20 5 HIBDRN Cc1ccccc1NC(=O)Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000553719019 941951698 /nfs/dbraw/zinc/95/16/98/941951698.db2.gz YUQJIEPTVYZUQX-UHFFFAOYSA-N 0 0 424.460 4.076 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553721809 941951966 /nfs/dbraw/zinc/95/19/66/941951966.db2.gz KBAGVMDRNGNDLZ-PIGZYNQJSA-N 0 0 412.339 4.355 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000553830813 941979877 /nfs/dbraw/zinc/97/98/77/941979877.db2.gz WLVXIHRGIRHANO-QGZVFWFLSA-N 0 0 409.364 4.444 20 5 HIBDRN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000553852160 941983154 /nfs/dbraw/zinc/98/31/54/941983154.db2.gz AQTCXPJEGBDLCA-SJORKVTESA-N 0 0 400.422 4.032 20 5 HIBDRN CSC[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000553933359 942001759 /nfs/dbraw/zinc/00/17/59/942001759.db2.gz MCZSXLPTLCOZQM-KRWDZBQOSA-N 0 0 400.500 4.389 20 5 HIBDRN CSC[C@H]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000553934811 942002350 /nfs/dbraw/zinc/00/23/50/942002350.db2.gz LLRDOHRDTFHJKP-HOTGVXAUSA-N 0 0 414.531 4.378 20 5 HIBDRN O=C1[C@@H](Sc2ccc([N+](=O)[O-])cn2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000553935686 942002511 /nfs/dbraw/zinc/00/25/11/942002511.db2.gz JOBQQVHOEASQIM-HNNXBMFYSA-N 0 0 411.405 4.292 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000554054653 942026491 /nfs/dbraw/zinc/02/64/91/942026491.db2.gz NNDZQPJZEIAZMA-LLVKDONJSA-N 0 0 412.412 4.125 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000554062658 942027998 /nfs/dbraw/zinc/02/79/98/942027998.db2.gz ZOIWRYABKNXHBK-UHFFFAOYSA-N 0 0 413.352 4.208 20 5 HIBDRN CN(CC(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1)c1ccccc1[N+](=O)[O-] ZINC000554076664 942031145 /nfs/dbraw/zinc/03/11/45/942031145.db2.gz WXCOMPZYMCKIDE-UHFFFAOYSA-N 0 0 410.449 4.058 20 5 HIBDRN C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1OCCc2sccc21 ZINC000554205727 942066186 /nfs/dbraw/zinc/06/61/86/942066186.db2.gz ROELTIUFSHRDLA-WHEQGISXSA-N 0 0 404.491 4.175 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCn2c(cc3ccccc32)C1 ZINC000554306227 942097495 /nfs/dbraw/zinc/09/74/95/942097495.db2.gz HQOZEQCBQDBTKY-CQSZACIVSA-N 0 0 412.877 4.436 20 5 HIBDRN Cc1c(NC(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cccc1[N+](=O)[O-] ZINC000554348539 942109672 /nfs/dbraw/zinc/10/96/72/942109672.db2.gz IXZLVHMQHXLKDE-IBGZPJMESA-N 0 0 423.391 4.445 20 5 HIBDRN O=C1[C@H]2c3ccccc3CCN2C(=O)N1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000554394789 942124934 /nfs/dbraw/zinc/12/49/34/942124934.db2.gz GMXUNZWVDLJQHZ-OAQYLSRUSA-N 0 0 415.405 4.453 20 5 HIBDRN CCc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)C2)cc1 ZINC000554410730 942131376 /nfs/dbraw/zinc/13/13/76/942131376.db2.gz YDQNGZHFITUIMR-INIZCTEOSA-N 0 0 423.498 4.056 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)C1CCCC1 ZINC000554537598 942165160 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/nfs/dbraw/zinc/41/85/31/943418531.db2.gz RMZQFATVIMLUBL-UHFFFAOYSA-N 0 0 410.449 4.342 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c(F)c1N1CCOCC1 ZINC000558317180 943503673 /nfs/dbraw/zinc/50/36/73/943503673.db2.gz UGBISNGZHJHMCJ-VGOFRKELSA-N 0 0 415.465 4.150 20 5 HIBDRN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(F)(F)[C@@H](C)C1 ZINC000558467495 943567323 /nfs/dbraw/zinc/56/73/23/943567323.db2.gz XRTYAKHFMNRJAQ-NWDGAFQWSA-N 0 0 410.446 4.022 20 5 HIBDRN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(F)(F)[C@H](C)C1 ZINC000558467497 943567662 /nfs/dbraw/zinc/56/76/62/943567662.db2.gz XRTYAKHFMNRJAQ-VXGBXAGGSA-N 0 0 410.446 4.022 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(OC2CCCCC2)nc1 ZINC000558476929 943569943 /nfs/dbraw/zinc/56/99/43/943569943.db2.gz ANWDAKGEJWRXAJ-UHFFFAOYSA-N 0 0 412.490 4.085 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CCCOC(C)C)cc1 ZINC000558509300 943580121 /nfs/dbraw/zinc/58/01/21/943580121.db2.gz 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COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000558744737 943638079 /nfs/dbraw/zinc/63/80/79/943638079.db2.gz YCFUKWGZKXEUPT-FQEVSTJZSA-N 0 0 402.425 4.246 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c1 ZINC000558762691 943650059 /nfs/dbraw/zinc/65/00/59/943650059.db2.gz YRKOKSHCVPZFDO-UHFFFAOYSA-N 0 0 403.822 4.026 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(F)c(OC(F)F)cc1F ZINC000558772441 943655260 /nfs/dbraw/zinc/65/52/60/943655260.db2.gz OPKQSVWFFWSIHL-UHFFFAOYSA-N 0 0 401.316 4.181 20 5 HIBDRN CC(C)c1noc(Cc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)n1 ZINC000558791593 943664830 /nfs/dbraw/zinc/66/48/30/943664830.db2.gz LXCNEMSVLNXVIM-UHFFFAOYSA-N 0 0 419.441 4.355 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)c1 ZINC000558805084 943670617 /nfs/dbraw/zinc/67/06/17/943670617.db2.gz DVLGBSUDAOCATE-HNNXBMFYSA-N 0 0 401.463 4.132 20 5 HIBDRN CCc1nc2cc(CNC(=O)c3cc(SC)ccc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000558814009 943674464 /nfs/dbraw/zinc/67/44/64/943674464.db2.gz QEUODUOZCFMRGU-UHFFFAOYSA-N 0 0 410.499 4.494 20 5 HIBDRN Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000558851803 943700839 /nfs/dbraw/zinc/70/08/39/943700839.db2.gz ZRGMWRRJYGMTQW-UHFFFAOYSA-N 0 0 424.436 4.170 20 5 HIBDRN CC(C)Oc1ccc([C@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000558913813 943744002 /nfs/dbraw/zinc/74/40/02/943744002.db2.gz NUUGOWCTJWVLAW-INIZCTEOSA-N 0 0 413.474 4.028 20 5 HIBDRN CCS[C@@H](C)c1noc(CN(C)c2cc(C)c([N+](=O)[O-])cc2Br)n1 ZINC000558921917 943747359 /nfs/dbraw/zinc/74/73/59/943747359.db2.gz JFOYRBFGXJIJMT-JTQLQIEISA-N 0 0 415.313 4.499 20 5 HIBDRN Cc1cc(NCCc2nnc(-c3ccccc3)n2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000558939430 943759285 /nfs/dbraw/zinc/75/92/85/943759285.db2.gz YEKLKPVNHLDFCX-UHFFFAOYSA-N 0 0 405.380 4.372 20 5 HIBDRN CC(C)(C(=O)Nc1nc(CN2CCCCCC2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000558937331 943759651 /nfs/dbraw/zinc/75/96/51/943759651.db2.gz BOVADEWWFGCTHU-UHFFFAOYSA-N 0 0 420.510 4.483 20 5 HIBDRN O=C(Nc1cccc(Cl)c1Br)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000558950210 943768616 /nfs/dbraw/zinc/76/86/16/943768616.db2.gz GXMLVPVOOXJASV-UHFFFAOYSA-N 0 0 413.611 4.034 20 5 HIBDRN CSc1ccccc1NC(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559049797 943815687 /nfs/dbraw/zinc/81/56/87/943815687.db2.gz XTTQIMUTMFHPRY-UHFFFAOYSA-N 0 0 413.421 4.406 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@]4(CC=CCC4)C3)n2C[C@@H]2CCOC2)cc1 ZINC000559215613 943875749 /nfs/dbraw/zinc/87/57/49/943875749.db2.gz XAGNCULNFDBVKZ-FDDCHVKYSA-N 0 0 423.517 4.217 20 5 HIBDRN C[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ncc(Br)cn1 ZINC000559260224 943886946 /nfs/dbraw/zinc/88/69/46/943886946.db2.gz VRXROEKHYIPIDS-MRVPVSSYSA-N 0 0 405.174 4.017 20 5 HIBDRN CCc1ccc([C@@H]2COCCN2C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])o1 ZINC000559274350 943889156 /nfs/dbraw/zinc/88/91/56/943889156.db2.gz CMHNYVXOXTZDLL-SFHVURJKSA-N 0 0 407.426 4.026 20 5 HIBDRN 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ZINC000559891508 944077401 /nfs/dbraw/zinc/07/74/01/944077401.db2.gz ZMOVLIILGFSUAA-UHFFFAOYSA-N 0 0 401.329 4.058 20 5 HIBDRN COc1ccc(Cc2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)cc1OC ZINC000559923322 944086500 /nfs/dbraw/zinc/08/65/00/944086500.db2.gz YFGSHJPWJWGJJS-UHFFFAOYSA-N 0 0 409.320 4.272 20 5 HIBDRN O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4cc(OC(F)F)ccc4F)no3)cn2)cc1 ZINC000559931594 944089478 /nfs/dbraw/zinc/08/94/78/944089478.db2.gz UOKLSOREMRTICC-UHFFFAOYSA-N 0 0 417.303 4.238 20 5 HIBDRN CCOc1cc(NC(=O)CCc2cccc(N(C)C)c2)c([N+](=O)[O-])cc1OCC ZINC000560055099 944142596 /nfs/dbraw/zinc/14/25/96/944142596.db2.gz GAXXXYWKDTYUDA-UHFFFAOYSA-N 0 0 401.463 4.030 20 5 HIBDRN Cc1cc(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)ccc1[N+](=O)[O-] ZINC000560091701 944155818 /nfs/dbraw/zinc/15/58/18/944155818.db2.gz ZRFSGNMNWNCNJH-UHFFFAOYSA-N 0 0 403.866 4.471 20 5 HIBDRN CO[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)cccc21 ZINC000560100375 944159129 /nfs/dbraw/zinc/15/91/29/944159129.db2.gz QOGGBXXCWZPPHL-INIZCTEOSA-N 0 0 421.247 4.388 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2ccc(Br)cc2C1 ZINC000560122474 944168427 /nfs/dbraw/zinc/16/84/27/944168427.db2.gz DOIKEYCUGQSJGV-UHFFFAOYSA-N 0 0 412.243 4.104 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC(C)C)cc1 ZINC000560173216 944186636 /nfs/dbraw/zinc/18/66/36/944186636.db2.gz AHTXLJAURZESPN-OAHLLOKOSA-N 0 0 406.504 4.026 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C2(Cc3ccc(F)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000560197700 944193920 /nfs/dbraw/zinc/19/39/20/944193920.db2.gz SPNNECPPFAKPNR-MRXNPFEDSA-N 0 0 400.450 4.259 20 5 HIBDRN CCCOc1ccc(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000560514010 944239438 /nfs/dbraw/zinc/23/94/38/944239438.db2.gz AVYXQPSYURTAEC-OAQYLSRUSA-N 0 0 410.474 4.005 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1cc(F)cc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000560518713 944240365 /nfs/dbraw/zinc/24/03/65/944240365.db2.gz UYGWMSHZIVXZNF-KRWDZBQOSA-N 0 0 419.254 4.109 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1ccnc(OC2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000560529361 944243410 /nfs/dbraw/zinc/24/34/10/944243410.db2.gz MCEFOJNNGBOOSH-QFIPXVFZSA-N 0 0 421.501 4.314 20 5 HIBDRN Cn1ccnc1[C@H](NCCc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000560530416 944245143 /nfs/dbraw/zinc/24/51/43/944245143.db2.gz ZFYJBDIVHNBMHB-GOSISDBHSA-N 0 0 404.392 4.269 20 5 HIBDRN CC1(C)CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1c1ccncc1 ZINC000560546250 944250150 /nfs/dbraw/zinc/25/01/50/944250150.db2.gz WXBOZPOBTLHBMR-MRXNPFEDSA-N 0 0 423.254 4.178 20 5 HIBDRN Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2c1NCCC2 ZINC000560690408 944295926 /nfs/dbraw/zinc/29/59/26/944295926.db2.gz MPJKQCFKXGMGML-UHFFFAOYSA-N 0 0 404.264 4.205 20 5 HIBDRN COCCC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000560705516 944301186 /nfs/dbraw/zinc/30/11/86/944301186.db2.gz DMYFRJDENUYBDO-OAHLLOKOSA-N 0 0 406.866 4.197 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCCCc1ccc(Cl)s1 ZINC000560724911 944311219 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GGEYVXDLYZNZAQ-UHFFFAOYSA-N 0 0 413.474 4.256 20 5 HIBDRN Cc1ccc(S(=O)(=O)CCCOc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000573273939 948135546 /nfs/dbraw/zinc/13/55/46/948135546.db2.gz GHRFBOMNZULEHL-UHFFFAOYSA-N 0 0 403.378 4.165 20 5 HIBDRN COc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1OCC(F)(F)F ZINC000573400751 948183575 /nfs/dbraw/zinc/18/35/75/948183575.db2.gz DYFJNJSXZQAWKE-UHFFFAOYSA-N 0 0 420.290 4.004 20 5 HIBDRN C[C@@H](CNC(=O)c1ccccc1)c1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000573467571 948210011 /nfs/dbraw/zinc/21/00/11/948210011.db2.gz JGZOFONEQFIKFF-NSHDSACASA-N 0 0 420.347 4.197 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)n2)cc1 ZINC000573477522 948211909 /nfs/dbraw/zinc/21/19/09/948211909.db2.gz KPIATFUBCSKXDY-UHFFFAOYSA-N 0 0 405.382 4.186 20 5 HIBDRN CCCc1nc(C)c(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)o1 ZINC000573589490 948243100 /nfs/dbraw/zinc/24/31/00/948243100.db2.gz GSQZKMGUULIEDB-UHFFFAOYSA-N 0 0 408.458 4.386 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCCN2c2ncnc3sccc32)n1 ZINC000573603458 948247859 /nfs/dbraw/zinc/24/78/59/948247859.db2.gz ZSXMVTIXIHITOC-OAHLLOKOSA-N 0 0 408.443 4.299 20 5 HIBDRN Cc1ccc([C@@H](c2noc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)n2)C(C)C)cc1 ZINC000573645250 948264089 /nfs/dbraw/zinc/26/40/89/948264089.db2.gz OIINEPUJAADBDF-FQEVSTJZSA-N 0 0 423.473 4.074 20 5 HIBDRN C[C@]1(c2ccccc2)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000573811173 948300805 /nfs/dbraw/zinc/30/08/05/948300805.db2.gz ZEDVSERTCYTNJF-QFIPXVFZSA-N 0 0 414.527 4.263 20 5 HIBDRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000573836629 948306607 /nfs/dbraw/zinc/30/66/07/948306607.db2.gz HKJXFUAKIYNYAL-UHFFFAOYSA-N 0 0 418.409 4.219 20 5 HIBDRN O=C(CCc1ccc(Br)cc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573909978 948326719 /nfs/dbraw/zinc/32/67/19/948326719.db2.gz SKHCWCOAKGHHJT-UHFFFAOYSA-N 0 0 416.275 4.130 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 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CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000022161728 846538984 /nfs/dbraw/zinc/53/89/84/846538984.db2.gz ZAEUWXIQMMEPKY-LLVKDONJSA-N 0 0 406.485 4.223 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)c1 ZINC000022196743 846543794 /nfs/dbraw/zinc/54/37/94/846543794.db2.gz BZAGYOURUFQTEY-QGZVFWFLSA-N 0 0 402.472 4.130 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000022291657 846554092 /nfs/dbraw/zinc/55/40/92/846554092.db2.gz FXRUMYWMXIOOGF-CQSZACIVSA-N 0 0 420.560 4.403 20 5 HIBDRN Cc1nnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1-c1ccccc1C ZINC000022356696 846560459 /nfs/dbraw/zinc/56/04/59/846560459.db2.gz PNPNJXVYRFFXNB-CQSZACIVSA-N 0 0 411.487 4.220 20 5 HIBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc2oc3ccccc3c2c1 ZINC000022393652 846565104 /nfs/dbraw/zinc/56/51/04/846565104.db2.gz KDXBHFYCILLPCH-UHFFFAOYSA-N 0 0 403.350 4.041 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000022469709 846575003 /nfs/dbraw/zinc/57/50/03/846575003.db2.gz KHRNAGDHUCWLDZ-FZMZJTMJSA-N 0 0 408.863 4.219 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000022469821 846575290 /nfs/dbraw/zinc/57/52/90/846575290.db2.gz IDZFHZQJFCFKBN-OLZOCXBDSA-N 0 0 402.834 4.161 20 5 HIBDRN Cc1ccc(C)c(SCC(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000022477734 846577495 /nfs/dbraw/zinc/57/74/95/846577495.db2.gz FFNDOZGCXABBEI-HNNXBMFYSA-N 0 0 402.472 4.183 20 5 HIBDRN O=C(COc1ccc2c(c1)CCC(=O)N2)OCc1nc2ccccc2c2ccccc12 ZINC000022520519 846581071 /nfs/dbraw/zinc/58/10/71/846581071.db2.gz AXQGJGXLLREFEI-UHFFFAOYSA-N 0 0 412.445 4.395 20 5 HIBDRN CC(C)Cc1noc(COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000022526017 846582680 /nfs/dbraw/zinc/58/26/80/846582680.db2.gz KVRAGUWMKGBZTR-UHFFFAOYSA-N 0 0 410.430 4.145 20 5 HIBDRN COc1ccccc1C(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000022617849 846594727 /nfs/dbraw/zinc/59/47/27/846594727.db2.gz CLSWRXXBZIZTIS-UHFFFAOYSA-N 0 0 420.421 4.255 20 5 HIBDRN CC(C)(C)c1ccccc1NC(=O)COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000022657444 846598484 /nfs/dbraw/zinc/59/84/84/846598484.db2.gz NCAZEUYXFNUVBZ-UHFFFAOYSA-N 0 0 411.458 4.262 20 5 HIBDRN Cc1cc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000022736567 846612683 /nfs/dbraw/zinc/61/26/83/846612683.db2.gz PKRCIZHDKBCRGN-HZPDHXFCSA-N 0 0 406.438 4.479 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000022793619 846621819 /nfs/dbraw/zinc/62/18/19/846621819.db2.gz WXUSVOJBNWCGDI-MNOVXSKESA-N 0 0 411.241 4.324 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2C)ccc1Br ZINC000022911079 846636775 /nfs/dbraw/zinc/63/67/75/846636775.db2.gz LSDNZSIUOVQSIX-GFCCVEGCSA-N 0 0 421.247 4.158 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000023123301 846661651 /nfs/dbraw/zinc/66/16/51/846661651.db2.gz DWSUZEQFTOPMDB-CYBMUJFWSA-N 0 0 421.906 4.204 20 5 HIBDRN CNc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC000023388799 846693498 /nfs/dbraw/zinc/69/34/98/846693498.db2.gz GMTQOEONKFTFJM-NRFANRHFSA-N 0 0 401.426 4.032 20 5 HIBDRN Nc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000023470618 846705353 /nfs/dbraw/zinc/70/53/53/846705353.db2.gz HLIYFYXOMLERNM-UHFFFAOYSA-N 0 0 421.434 4.163 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)CSc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000023487012 846707626 /nfs/dbraw/zinc/70/76/26/846707626.db2.gz YKYVKKCWRFOJMX-GFCCVEGCSA-N 0 0 408.863 4.219 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000023510284 846711337 /nfs/dbraw/zinc/71/13/37/846711337.db2.gz PUYCWIGBRZCNEY-LBPRGKRZSA-N 0 0 414.405 4.333 20 5 HIBDRN Cc1c2ccccc2oc1C(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000023592754 846724982 /nfs/dbraw/zinc/72/49/82/846724982.db2.gz RAPXFYQXAOZCEJ-UHFFFAOYSA-N 0 0 418.199 4.452 20 5 HIBDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000023601380 846726555 /nfs/dbraw/zinc/72/65/55/846726555.db2.gz SFFNOFIXXXZZJA-UHFFFAOYSA-N 0 0 405.401 4.069 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000024049111 846782653 /nfs/dbraw/zinc/78/26/53/846782653.db2.gz QSCXWJBXMXXWDQ-LBPRGKRZSA-N 0 0 400.485 4.156 20 5 HIBDRN CC[C@@H](NC(=O)COC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000024124296 846792903 /nfs/dbraw/zinc/79/29/03/846792903.db2.gz GUMGJXIZPKLURG-OAHLLOKOSA-N 0 0 422.890 4.151 20 5 HIBDRN CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000024124638 846792964 /nfs/dbraw/zinc/79/29/64/846792964.db2.gz WDPSZJVLNDWGAK-CQSZACIVSA-N 0 0 416.499 4.382 20 5 HIBDRN COc1ccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000024210685 846801700 /nfs/dbraw/zinc/80/17/00/846801700.db2.gz OQFVOZKPNDTVQN-UHFFFAOYSA-N 0 0 418.862 4.173 20 5 HIBDRN O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000024210677 846801955 /nfs/dbraw/zinc/80/19/55/846801955.db2.gz 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C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000024975630 846898433 /nfs/dbraw/zinc/89/84/33/846898433.db2.gz LVOGOGHDXPIOKS-SNVBAGLBSA-N 0 0 421.841 4.087 20 5 HIBDRN C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1ccc(Cl)cn1 ZINC000024970057 846898787 /nfs/dbraw/zinc/89/87/87/846898787.db2.gz WPJOKQMUVVRROC-GFCCVEGCSA-N 0 0 424.913 4.254 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000024997919 846901665 /nfs/dbraw/zinc/90/16/65/846901665.db2.gz SGJDUEDNHWWZPO-OLZOCXBDSA-N 0 0 406.435 4.093 20 5 HIBDRN CN(Cc1cnn(C)c1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000025044063 846911292 /nfs/dbraw/zinc/91/12/92/846911292.db2.gz NMSQMFZMUUJRFP-UHFFFAOYSA-N 0 0 416.890 4.405 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1 ZINC000025040480 846911705 /nfs/dbraw/zinc/91/17/05/846911705.db2.gz OKQCOZKLPJHNQO-UHFFFAOYSA-N 0 0 402.457 4.137 20 5 HIBDRN Cc1nc(NC(=O)[C@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc1C ZINC000025374854 846970517 /nfs/dbraw/zinc/97/05/17/846970517.db2.gz NRYBHDXFLGTFIP-VIFPVBQESA-N 0 0 405.457 4.067 20 5 HIBDRN COC(=O)c1cc(C(=O)OCc2coc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c1 ZINC000025400516 846973831 /nfs/dbraw/zinc/97/38/31/846973831.db2.gz WKBCVOHJNLOGDI-UHFFFAOYSA-N 0 0 416.773 4.047 20 5 HIBDRN O=C(CN1CCC[C@H]1c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000025441905 846977993 /nfs/dbraw/zinc/97/79/93/846977993.db2.gz PRDNAZIJYZNLIT-KRWDZBQOSA-N 0 0 422.254 4.272 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1cccc(COC2CCOCC2)c1 ZINC000436397304 861741905 /nfs/dbraw/zinc/74/19/05/861741905.db2.gz LXPUICJTDZYJFR-UHFFFAOYSA-N 0 0 411.380 4.316 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000025615045 847007501 /nfs/dbraw/zinc/00/75/01/847007501.db2.gz KSDKVGZGIQTQHM-RDTXWAMCSA-N 0 0 416.499 4.456 20 5 HIBDRN COc1ccc(NC(=O)CNc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000025902454 847054618 /nfs/dbraw/zinc/05/46/18/847054618.db2.gz SOFQXPUAYYYUKN-UHFFFAOYSA-N 0 0 414.643 4.070 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000025907479 847055632 /nfs/dbraw/zinc/05/56/32/847055632.db2.gz CBEYPYQVVSFOOR-UHFFFAOYSA-N 0 0 415.833 4.245 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(C(C)(C)C)ccc1OC ZINC000025924779 847058073 /nfs/dbraw/zinc/05/80/73/847058073.db2.gz OBXKDEHCPCWCJY-CYBMUJFWSA-N 0 0 401.463 4.349 20 5 HIBDRN COc1ccc2cc(CN(C)Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)ccc2c1 ZINC000025926661 847059198 /nfs/dbraw/zinc/05/91/98/847059198.db2.gz WEERXQLUQUAZJF-UHFFFAOYSA-N 0 0 404.426 4.439 20 5 HIBDRN Cc1ccc(OCCN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000026092729 847082251 /nfs/dbraw/zinc/08/22/51/847082251.db2.gz FYTIHHYELNHRCH-UHFFFAOYSA-N 0 0 400.478 4.001 20 5 HIBDRN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)s1 ZINC000026224564 847106247 /nfs/dbraw/zinc/10/62/47/847106247.db2.gz ITGNFOWANUKJMN-VIFPVBQESA-N 0 0 416.377 4.476 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2nc3cc(Cl)ccc3s2)cc([N+](=O)[O-])c1 ZINC000026273824 847118104 /nfs/dbraw/zinc/11/81/04/847118104.db2.gz VSTFDLIPRRXKKE-UHFFFAOYSA-N 0 0 405.819 4.287 20 5 HIBDRN COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026346437 847129345 /nfs/dbraw/zinc/12/93/45/847129345.db2.gz VZWHTZDFAMGPGM-QFIPXVFZSA-N 0 0 405.454 4.415 20 5 HIBDRN CC(C)Cn1c(SCCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccco1 ZINC000026343274 847129422 /nfs/dbraw/zinc/12/94/22/847129422.db2.gz XTKCRGSZQRHVGU-UHFFFAOYSA-N 0 0 415.475 4.223 20 5 HIBDRN CN(CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026348224 847130090 /nfs/dbraw/zinc/13/00/90/847130090.db2.gz GFBXPOJNKGCFBG-NRFANRHFSA-N 0 0 413.474 4.133 20 5 HIBDRN O=C(CCSc1nnc(Nc2cccc(F)c2)s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026409502 847140851 /nfs/dbraw/zinc/14/08/51/847140851.db2.gz LHAVYYORYVEMQB-UHFFFAOYSA-N 0 0 419.463 4.450 20 5 HIBDRN C[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000026478557 847155675 /nfs/dbraw/zinc/15/56/75/847155675.db2.gz LYLYKHYGYYVFJK-SSDOTTSWSA-N 0 0 406.773 4.176 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)c(C)c1 ZINC000026644418 847180166 /nfs/dbraw/zinc/18/01/66/847180166.db2.gz AWCBVODERVJORZ-UHFFFAOYSA-N 0 0 420.469 4.357 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)COc2ccccc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000026709216 847188996 /nfs/dbraw/zinc/18/89/96/847188996.db2.gz RXQKWDFKJPTLTE-HNNXBMFYSA-N 0 0 414.458 4.150 20 5 HIBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(C)C)c1 ZINC000026747039 847192302 /nfs/dbraw/zinc/19/23/02/847192302.db2.gz RQWLCWIWDOMHJN-LJQANCHMSA-N 0 0 415.515 4.208 20 5 HIBDRN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000026853956 847208524 /nfs/dbraw/zinc/20/85/24/847208524.db2.gz VVLIKSSHHAKNKX-CQSZACIVSA-N 0 0 416.861 4.232 20 5 HIBDRN CCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000026908511 847220698 /nfs/dbraw/zinc/22/06/98/847220698.db2.gz MJYFXNAAPONBQP-UHFFFAOYSA-N 0 0 423.397 4.481 20 5 HIBDRN COc1ccc([C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C2CC2)cc1 ZINC000026950497 847225189 /nfs/dbraw/zinc/22/51/89/847225189.db2.gz MUUOGANGZHELSG-JOCHJYFZSA-N 0 0 409.486 4.087 20 5 HIBDRN CCc1ccc(CN(C)C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000027313175 847282285 /nfs/dbraw/zinc/28/22/85/847282285.db2.gz WRUJWFWODUSSDE-UHFFFAOYSA-N 0 0 412.467 4.187 20 5 HIBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000027533100 847315915 /nfs/dbraw/zinc/31/59/15/847315915.db2.gz WUZVYIFFQGWBRT-UHFFFAOYSA-N 0 0 421.885 4.408 20 5 HIBDRN O=C(NCc1cc(F)ccc1F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436422810 861780016 /nfs/dbraw/zinc/78/00/16/861780016.db2.gz XCAQKIZJZXZNSL-UHFFFAOYSA-N 0 0 400.331 4.168 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000027952476 847367324 /nfs/dbraw/zinc/36/73/24/847367324.db2.gz ZOMAXPIOEZMMED-CQSZACIVSA-N 0 0 417.512 4.081 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000027962359 847368707 /nfs/dbraw/zinc/36/87/07/847368707.db2.gz GMPBMWYMBZGRJP-SFHVURJKSA-N 0 0 420.537 4.363 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000027977153 847370724 /nfs/dbraw/zinc/37/07/24/847370724.db2.gz RDFDDDJYRQLJML-SFHVURJKSA-N 0 0 406.460 4.172 20 5 HIBDRN Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000028185863 847392996 /nfs/dbraw/zinc/39/29/96/847392996.db2.gz QDFDDQJKBFSTLX-YBEGLDIGSA-N 0 0 414.874 4.422 20 5 HIBDRN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccc(SC(F)F)cc1 ZINC000028279887 847401664 /nfs/dbraw/zinc/40/16/64/847401664.db2.gz RSXKUMUCILKYEY-UHFFFAOYSA-N 0 0 416.789 4.358 20 5 HIBDRN Cc1nc(-c2ccccc2)ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000028387658 847415042 /nfs/dbraw/zinc/41/50/42/847415042.db2.gz YESYSJTYFGWTMA-INIZCTEOSA-N 0 0 419.437 4.458 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cccc3ncccc32)c1 ZINC000028401109 847415596 /nfs/dbraw/zinc/41/55/96/847415596.db2.gz JXHXBEZWQDQHOT-GFCCVEGCSA-N 0 0 411.439 4.049 20 5 HIBDRN COc1ccc(OC)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000028468539 847424874 /nfs/dbraw/zinc/42/48/74/847424874.db2.gz PRLSHNFSUSTTNH-GJZGRUSLSA-N 0 0 413.474 4.347 20 5 HIBDRN COC[C@@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000028493916 847427716 /nfs/dbraw/zinc/42/77/16/847427716.db2.gz ZFVCTEIYYDSSTR-LLVKDONJSA-N 0 0 403.485 4.120 20 5 HIBDRN Cc1ccc(C)c(OCCC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000028675718 847444763 /nfs/dbraw/zinc/44/47/63/847444763.db2.gz ZSMKREIQXLCBEE-CQSZACIVSA-N 0 0 420.849 4.204 20 5 HIBDRN C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000028682691 847445751 /nfs/dbraw/zinc/44/57/51/847445751.db2.gz LCLBRHYZCAYRHR-NSHDSACASA-N 0 0 417.878 4.163 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H](C)c3ccccn3)cc2[N+](=O)[O-])n1 ZINC000028779575 847458992 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418.368 4.040 20 5 HIBDRN C[C@H](Cc1nnc(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000029378191 847555162 /nfs/dbraw/zinc/55/51/62/847555162.db2.gz TWURPQZKAWXROM-CQSZACIVSA-N 0 0 412.471 4.079 20 5 HIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000029583391 847583287 /nfs/dbraw/zinc/58/32/87/847583287.db2.gz KUKQHPVAJCFRSK-UHFFFAOYSA-N 0 0 410.377 4.252 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000029843948 847632114 /nfs/dbraw/zinc/63/21/14/847632114.db2.gz JRTDTFAXPMDLEV-FQEVSTJZSA-N 0 0 416.433 4.154 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(-n4ccnc4)cc3)cc2[N+](=O)[O-])C1 ZINC000029951456 847658485 /nfs/dbraw/zinc/65/84/85/847658485.db2.gz QZRDBAIGEOIPKA-MRXNPFEDSA-N 0 0 405.458 4.269 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(-n4ccnc4)cc3)cc2[N+](=O)[O-])C1 ZINC000029951457 847658958 /nfs/dbraw/zinc/65/89/58/847658958.db2.gz QZRDBAIGEOIPKA-INIZCTEOSA-N 0 0 405.458 4.269 20 5 HIBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(SC2CCCC2)cc1 ZINC000030184020 847687941 /nfs/dbraw/zinc/68/79/41/847687941.db2.gz QOURGWWOXHRODX-UHFFFAOYSA-N 0 0 413.499 4.388 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000030285171 847697770 /nfs/dbraw/zinc/69/77/70/847697770.db2.gz IZLHZBARHGIAKB-KRWDZBQOSA-N 0 0 410.455 4.348 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000030325894 847703248 /nfs/dbraw/zinc/70/32/48/847703248.db2.gz GYEQSBKKAWOMAH-SFHVURJKSA-N 0 0 420.537 4.363 20 5 HIBDRN CCOc1ncccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000030836580 847781225 /nfs/dbraw/zinc/78/12/25/847781225.db2.gz AZSBVBSOSTVXSR-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCc3nc4ccccc4s3)cc2[N+](=O)[O-])C1 ZINC000030970982 847803082 /nfs/dbraw/zinc/80/30/82/847803082.db2.gz JDDNKHYPAATXLP-CQSZACIVSA-N 0 0 410.499 4.371 20 5 HIBDRN CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000031078248 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Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000031708072 847934541 /nfs/dbraw/zinc/93/45/41/847934541.db2.gz BSBOLWZNHLVNGL-UHFFFAOYSA-N 0 0 400.822 4.068 20 5 HIBDRN CC(C)(C)CCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000031760722 847944375 /nfs/dbraw/zinc/94/43/75/847944375.db2.gz OCXCIJDQRXYYDO-UHFFFAOYSA-N 0 0 401.429 4.382 20 5 HIBDRN CCNc1nc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc2ccccc21 ZINC000031766776 847945621 /nfs/dbraw/zinc/94/56/21/847945621.db2.gz FGTDVVHJTXUSMZ-UHFFFAOYSA-N 0 0 411.487 4.399 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2nc(-c3ccccc3C)cs2)cc([N+](=O)[O-])c1 ZINC000031790884 847949300 /nfs/dbraw/zinc/94/93/00/847949300.db2.gz UCULZQCHFKJLPI-UHFFFAOYSA-N 0 0 411.439 4.456 20 5 HIBDRN Cc1ccc(-c2nnc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)n2C)cc1 ZINC000031840147 847958191 /nfs/dbraw/zinc/95/81/91/847958191.db2.gz UBGWCCKQDHJLKT-UHFFFAOYSA-N 0 0 408.443 4.041 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CSc3nnc(CCC4CCCC4)[nH]3)n2)c1 ZINC000031850437 847959282 /nfs/dbraw/zinc/95/92/82/847959282.db2.gz BRXHJRIPQSDROK-UHFFFAOYSA-N 0 0 400.464 4.178 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000031878748 847960250 /nfs/dbraw/zinc/96/02/50/847960250.db2.gz XHOYZOQVKNYHFR-UHFFFAOYSA-N 0 0 412.870 4.288 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000031896204 847962546 /nfs/dbraw/zinc/96/25/46/847962546.db2.gz VYCSHVRZQPRQRY-UHFFFAOYSA-N 0 0 403.847 4.313 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)COc1ccc(Br)cc1Cl ZINC000031930482 847966426 /nfs/dbraw/zinc/96/64/26/847966426.db2.gz RLQQIRFYZIDGQL-UHFFFAOYSA-N 0 0 413.655 4.048 20 5 HIBDRN Cc1ccc(OCc2nc(CC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000031930769 847966662 /nfs/dbraw/zinc/96/66/62/847966662.db2.gz GBZVSEKBCZXOIK-UHFFFAOYSA-N 0 0 411.483 4.140 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1Cl ZINC000032166274 847990333 /nfs/dbraw/zinc/99/03/33/847990333.db2.gz GXHODGBXZNDXFL-UHFFFAOYSA-N 0 0 400.822 4.473 20 5 HIBDRN COc1ccc(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000032676994 848062335 /nfs/dbraw/zinc/06/23/35/848062335.db2.gz UBRFGJKRWSUTRO-HNNXBMFYSA-N 0 0 407.426 4.068 20 5 HIBDRN O=C(c1cc2c(ccc3ccccc23)[nH]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000032680187 848062943 /nfs/dbraw/zinc/06/29/43/848062943.db2.gz ROWFVVUSFZQCEZ-UHFFFAOYSA-N 0 0 400.438 4.192 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2[N+](=O)[O-])C1 ZINC000032814470 848079595 /nfs/dbraw/zinc/07/95/95/848079595.db2.gz IDIUSGFBWUNHCU-MRXNPFEDSA-N 0 0 422.485 4.210 20 5 HIBDRN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033163398 848117218 /nfs/dbraw/zinc/11/72/18/848117218.db2.gz UIHDTGCKKJPXJR-UHFFFAOYSA-N 0 0 424.420 4.348 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000036763624 848160579 /nfs/dbraw/zinc/16/05/79/848160579.db2.gz SGCHBAXPIPIAIC-UHFFFAOYSA-N 0 0 405.458 4.250 20 5 HIBDRN C[C@H](c1cccs1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000038105501 848176950 /nfs/dbraw/zinc/17/69/50/848176950.db2.gz SDPMFBSWEHMEKK-SECBINFHSA-N 0 0 416.240 4.094 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000041141738 848203412 /nfs/dbraw/zinc/20/34/12/848203412.db2.gz LOCDIFGOCYCAOM-QFIPXVFZSA-N 0 0 417.465 4.414 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)Cc3ccc(O)cc3)cc2[N+](=O)[O-])n1 ZINC000041676442 848238985 /nfs/dbraw/zinc/23/89/85/848238985.db2.gz YMALGBFFANYIOU-UHFFFAOYSA-N 0 0 415.496 4.489 20 5 HIBDRN CCOc1ccc(C(=O)NCc2cccc(COCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000042072806 848281014 /nfs/dbraw/zinc/28/10/14/848281014.db2.gz RFHOIWBZRPCSMZ-UHFFFAOYSA-N 0 0 410.426 4.233 20 5 HIBDRN O=C(NCc1cccc(Br)c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000042354831 848320615 /nfs/dbraw/zinc/32/06/15/848320615.db2.gz HYDPZYQABHDZGK-UHFFFAOYSA-N 0 0 414.053 4.050 20 5 HIBDRN Cc1c(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000043347469 848412258 /nfs/dbraw/zinc/41/22/58/848412258.db2.gz GBPFKRFQBXWJDB-UHFFFAOYSA-N 0 0 402.882 4.296 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OCC ZINC000043838352 848476123 /nfs/dbraw/zinc/47/61/23/848476123.db2.gz YJBMLMPJZVHJOS-GFCCVEGCSA-N 0 0 417.418 4.004 20 5 HIBDRN C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000043838177 848476148 /nfs/dbraw/zinc/47/61/48/848476148.db2.gz CRWCMCPUAHVATC-LLVKDONJSA-N 0 0 421.379 4.169 20 5 HIBDRN Cc1ccc(-c2nnc(SCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)n2C)cc1 ZINC000044029416 848503811 /nfs/dbraw/zinc/50/38/11/848503811.db2.gz HNCLAQOSKJJHMG-UHFFFAOYSA-N 0 0 408.443 4.041 20 5 HIBDRN CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000044051187 848507511 /nfs/dbraw/zinc/50/75/11/848507511.db2.gz GHQXGLPVFGNPLZ-ZDUSSCGKSA-N 0 0 414.437 4.181 20 5 HIBDRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000044499069 848562519 /nfs/dbraw/zinc/56/25/19/848562519.db2.gz NRFYSIWRZPMEKC-CYBMUJFWSA-N 0 0 414.270 4.206 20 5 HIBDRN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000044757969 848598312 /nfs/dbraw/zinc/59/83/12/848598312.db2.gz YITZGQPAUIDBCP-UHFFFAOYSA-N 0 0 405.410 4.173 20 5 HIBDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000044759717 848599007 /nfs/dbraw/zinc/59/90/07/848599007.db2.gz ZJEXWFBIHGRGLD-UHFFFAOYSA-N 0 0 415.755 4.101 20 5 HIBDRN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc2ccccc2c2cccnc12 ZINC000044886912 848612975 /nfs/dbraw/zinc/61/29/75/848612975.db2.gz NGSPOTINBUTSKD-NRFANRHFSA-N 0 0 417.534 4.253 20 5 HIBDRN Cc1c([C@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000045517940 848687860 /nfs/dbraw/zinc/68/78/60/848687860.db2.gz YMIPYDGEGRRTFK-ZDUSSCGKSA-N 0 0 414.462 4.198 20 5 HIBDRN Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1[N+](=O)[O-] ZINC000045622013 848703936 /nfs/dbraw/zinc/70/39/36/848703936.db2.gz GIRJFKWPRMPFPL-OAQYLSRUSA-N 0 0 417.421 4.098 20 5 HIBDRN O=C(NCc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1Br ZINC000045625283 848704542 /nfs/dbraw/zinc/70/45/42/848704542.db2.gz OQZBUIUURCTKOW-UHFFFAOYSA-N 0 0 414.053 4.050 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1OC(F)(F)F ZINC000045677770 848711957 /nfs/dbraw/zinc/71/19/57/848711957.db2.gz QZZALLWACBPMOH-LLVKDONJSA-N 0 0 400.378 4.290 20 5 HIBDRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000045853219 848740406 /nfs/dbraw/zinc/74/04/06/848740406.db2.gz CZGTVWIOCCPMIU-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN O=c1c2cc3ccccc3cc2ncn1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000045870595 848743654 /nfs/dbraw/zinc/74/36/54/848743654.db2.gz KSAZICCURFGIGF-INIZCTEOSA-N 0 0 415.276 4.296 20 5 HIBDRN COc1ccc(Oc2cc(CNC(=O)Nc3cc([N+](=O)[O-])ccc3C)ccn2)cc1 ZINC000046000886 848769977 /nfs/dbraw/zinc/76/99/77/848769977.db2.gz HCRYCJPKHTZLDO-UHFFFAOYSA-N 0 0 408.414 4.421 20 5 HIBDRN CC[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 ZINC000046040904 848777884 /nfs/dbraw/zinc/77/78/84/848777884.db2.gz NFAUGEHNUHEDMM-KRWDZBQOSA-N 0 0 402.882 4.231 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000046183616 848796523 /nfs/dbraw/zinc/79/65/23/848796523.db2.gz HHWCHKLZEQKAEI-AWEZNQCLSA-N 0 0 404.488 4.113 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCCc4cc(F)ccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000046295491 848818006 /nfs/dbraw/zinc/81/80/06/848818006.db2.gz NYGURVWIYPRUCW-UHFFFAOYSA-N 0 0 408.433 4.189 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000046604758 848883745 /nfs/dbraw/zinc/88/37/45/848883745.db2.gz UFGMRHUOAOXJPI-ZDUSSCGKSA-N 0 0 401.488 4.242 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000046612275 848886954 /nfs/dbraw/zinc/88/69/54/848886954.db2.gz LWSLFYHVFZDLOP-UHFFFAOYSA-N 0 0 407.426 4.419 20 5 HIBDRN O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000046632274 848892651 /nfs/dbraw/zinc/89/26/51/848892651.db2.gz MHZHFURNHVGORE-UHFFFAOYSA-N 0 0 418.453 4.073 20 5 HIBDRN O=C(Nc1cccc(COCc2ccco2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000046684635 848910303 /nfs/dbraw/zinc/91/03/03/848910303.db2.gz CHRFFOHCXPTJFM-UHFFFAOYSA-N 0 0 418.409 4.343 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000046791546 848935297 /nfs/dbraw/zinc/93/52/97/848935297.db2.gz XIDHOHJCOHPPSM-CYBMUJFWSA-N 0 0 405.401 4.287 20 5 HIBDRN Cc1c([C@H](C)NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000046983529 848967555 /nfs/dbraw/zinc/96/75/55/848967555.db2.gz NSCMJJVMZZFGFL-AWEZNQCLSA-N 0 0 411.437 4.131 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000047225322 849007264 /nfs/dbraw/zinc/00/72/64/849007264.db2.gz IFYQGDBOPZIDAG-UHFFFAOYSA-N 0 0 408.241 4.390 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000047323381 849025229 /nfs/dbraw/zinc/02/52/29/849025229.db2.gz LEZMYWCSDAPCTM-UHFFFAOYSA-N 0 0 417.535 4.007 20 5 HIBDRN Cc1ccccc1NC(=O)Cc1nc(COc2ccc([N+](=O)[O-])cc2F)cs1 ZINC000047354909 849031534 /nfs/dbraw/zinc/03/15/34/849031534.db2.gz HZTHOJJBXZSOJF-UHFFFAOYSA-N 0 0 401.419 4.259 20 5 HIBDRN CCCOc1cc(NC(=O)NCc2cccc(C)n2)c([N+](=O)[O-])cc1OCCC ZINC000047395711 849038921 /nfs/dbraw/zinc/03/89/21/849038921.db2.gz ZKUHBCGNNOBFLY-UHFFFAOYSA-N 0 0 402.451 4.198 20 5 HIBDRN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744450 849103165 /nfs/dbraw/zinc/10/31/65/849103165.db2.gz FZDQXCSQXHBDTO-AWEZNQCLSA-N 0 0 413.865 4.181 20 5 HIBDRN Cc1cc(I)ccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000047805685 849117560 /nfs/dbraw/zinc/11/75/60/849117560.db2.gz ORBSZRHEVQKCQM-UHFFFAOYSA-N 0 0 413.240 4.317 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cccc(-c4cnco4)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000048205209 849190500 /nfs/dbraw/zinc/19/05/00/849190500.db2.gz YHGDAJFMQCZSDS-UHFFFAOYSA-N 0 0 417.425 4.364 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(F)cc1[N+](=O)[O-] ZINC000048246169 849197006 /nfs/dbraw/zinc/19/70/06/849197006.db2.gz CTUSANCEPYQKTN-UHFFFAOYSA-N 0 0 409.377 4.212 20 5 HIBDRN O=C(CCSc1ccccc1Cl)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048305625 849206221 /nfs/dbraw/zinc/20/62/21/849206221.db2.gz NHRLTXAQAQCGHA-UHFFFAOYSA-N 0 0 405.907 4.079 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000048481588 849230663 /nfs/dbraw/zinc/23/06/63/849230663.db2.gz MDQQKYBWRPUYQG-UHFFFAOYSA-N 0 0 419.441 4.081 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000049603369 849313257 /nfs/dbraw/zinc/31/32/57/849313257.db2.gz LEAHNNHNILJOPB-OAQYLSRUSA-N 0 0 406.442 4.157 20 5 HIBDRN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049602299 849313304 /nfs/dbraw/zinc/31/33/04/849313304.db2.gz OZRCYERMPFNJPS-CYBMUJFWSA-N 0 0 407.455 4.223 20 5 HIBDRN CC(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 ZINC000049636291 849316643 /nfs/dbraw/zinc/31/66/43/849316643.db2.gz OCNNZTZSUBMHKK-UHFFFAOYSA-N 0 0 405.410 4.276 20 5 HIBDRN CC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 ZINC000049759443 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UHUMACSNBFSORT-CYBMUJFWSA-N 0 0 422.407 4.166 20 5 HIBDRN Cn1ccc2c(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)cccc2c1=O ZINC000410352766 855944833 /nfs/dbraw/zinc/94/48/33/855944833.db2.gz JDSRSYJHOBFXQW-UHFFFAOYSA-N 0 0 415.405 4.491 20 5 HIBDRN Cn1ccc2c(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cccc2c1=O ZINC000410359569 855949594 /nfs/dbraw/zinc/94/95/94/855949594.db2.gz NUXZHXFHPOCTRM-UHFFFAOYSA-N 0 0 414.421 4.443 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000437398097 862741516 /nfs/dbraw/zinc/74/15/16/862741516.db2.gz RLNPOSUMQJBPHJ-UAPYVXQJSA-N 0 0 400.453 4.356 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000410391863 855969846 /nfs/dbraw/zinc/96/98/46/855969846.db2.gz WHOIYZJBQKDDBR-UHFFFAOYSA-N 0 0 402.300 4.083 20 5 HIBDRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000410424531 855991316 /nfs/dbraw/zinc/99/13/16/855991316.db2.gz GJCXYVDFBCSCOR-CQSZACIVSA-N 0 0 422.528 4.206 20 5 HIBDRN Cc1nc(NC(=O)c2c(N)cccc2[N+](=O)[O-])sc1Cc1ccc(F)c(F)c1F ZINC000410426649 855992373 /nfs/dbraw/zinc/99/23/73/855992373.db2.gz QTJXRHQTPCPOLC-UHFFFAOYSA-N 0 0 422.388 4.202 20 5 HIBDRN Cc1cn2cc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])ccc2n1 ZINC000425935492 856008178 /nfs/dbraw/zinc/00/81/78/856008178.db2.gz DMDWBYYIZCUXSK-UHFFFAOYSA-N 0 0 402.410 4.382 20 5 HIBDRN CC(C)(CO)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000437402846 862749866 /nfs/dbraw/zinc/74/98/66/862749866.db2.gz DKEWKTVEFUICCA-HNNXBMFYSA-N 0 0 423.416 4.120 20 5 HIBDRN COc1cccc(F)c1[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426052546 856075154 /nfs/dbraw/zinc/07/51/54/856075154.db2.gz YMLIPDRIQOGHFV-SNVBAGLBSA-N 0 0 415.343 4.322 20 5 HIBDRN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426058397 856078545 /nfs/dbraw/zinc/07/85/45/856078545.db2.gz DVLRRBPMYWAPMT-PKOBYXMFSA-N 0 0 423.391 4.152 20 5 HIBDRN Cn1cc(-c2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)c(C(F)(F)F)n1 ZINC000426200134 856171406 /nfs/dbraw/zinc/17/14/06/856171406.db2.gz VNVOEHVSFJZVLA-UHFFFAOYSA-N 0 0 411.343 4.151 20 5 HIBDRN C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(F)c1F ZINC000426198753 856171669 /nfs/dbraw/zinc/17/16/69/856171669.db2.gz MGDFXLHOLSKPKA-VIFPVBQESA-N 0 0 403.307 4.452 20 5 HIBDRN COC[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000426201500 856172786 /nfs/dbraw/zinc/17/27/86/856172786.db2.gz PMEUZXQNGOEQSF-INIZCTEOSA-N 0 0 412.273 4.131 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cnc(C3CCCC3)nc2N)no1 ZINC000426213562 856180763 /nfs/dbraw/zinc/18/07/63/856180763.db2.gz CFSGSCVWYYVJGE-CQSZACIVSA-N 0 0 408.462 4.411 20 5 HIBDRN CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426237927 856195180 /nfs/dbraw/zinc/19/51/80/856195180.db2.gz MSXMMUVTBFXIHN-LBPRGKRZSA-N 0 0 401.307 4.390 20 5 HIBDRN Nc1nc(C2CCCC2)ncc1-c1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000426238527 856195224 /nfs/dbraw/zinc/19/52/24/856195224.db2.gz OTVVZKSFZGSKRG-UHFFFAOYSA-N 0 0 420.351 4.360 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](COc2ccccc2)C1 ZINC000426262453 856208176 /nfs/dbraw/zinc/20/81/76/856208176.db2.gz FFSXQXIIVBHESV-CQSZACIVSA-N 0 0 423.391 4.224 20 5 HIBDRN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426262844 856209354 /nfs/dbraw/zinc/20/93/54/856209354.db2.gz HFNLIBYXZAPQRB-SGTLLEGYSA-N 0 0 423.391 4.147 20 5 HIBDRN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426265324 856210290 /nfs/dbraw/zinc/21/02/90/856210290.db2.gz UJAHXYPPKNZAEG-TVQRCGJNSA-N 0 0 413.318 4.486 20 5 HIBDRN CN(Cc1cc(F)cc(F)c1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426276455 856215722 /nfs/dbraw/zinc/21/57/22/856215722.db2.gz JUIRLRMRRZSLPR-UHFFFAOYSA-N 0 0 403.307 4.233 20 5 HIBDRN CCO[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000426277996 856216117 /nfs/dbraw/zinc/21/61/17/856216117.db2.gz UBCSCYWQADXXQW-KRWDZBQOSA-N 0 0 411.380 4.191 20 5 HIBDRN COC(=O)[C@H](C)CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000426442451 856292597 /nfs/dbraw/zinc/29/25/97/856292597.db2.gz AWJLRZRITIXWTM-CQSZACIVSA-N 0 0 414.483 4.160 20 5 HIBDRN O=C(NCc1ccc2sccc2c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000426492466 856317963 /nfs/dbraw/zinc/31/79/63/856317963.db2.gz RNDONRDAEKKLEC-UHFFFAOYSA-N 0 0 411.468 4.009 20 5 HIBDRN CC[C@@H](NC(=O)Cc1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1)c1ccccc1 ZINC000426568249 856353463 /nfs/dbraw/zinc/35/34/63/856353463.db2.gz ZOYOHVUZWWLBOB-QGZVFWFLSA-N 0 0 408.458 4.114 20 5 HIBDRN CC(C)(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Br)cc1 ZINC000426605139 856369269 /nfs/dbraw/zinc/36/92/69/856369269.db2.gz MIPKGJDFLSVUPC-UHFFFAOYSA-N 0 0 403.276 4.220 20 5 HIBDRN COc1ccc(NC(=O)CCSCc2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000426604753 856369297 /nfs/dbraw/zinc/36/92/97/856369297.db2.gz VAQUXLMPXIJOEL-UHFFFAOYSA-N 0 0 412.414 4.467 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426646324 856392457 /nfs/dbraw/zinc/39/24/57/856392457.db2.gz IOGXQUNESVTRMB-LJQANCHMSA-N 0 0 405.410 4.122 20 5 HIBDRN CC(C)(C(=O)NCc1nccn1CCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000426654501 856395489 /nfs/dbraw/zinc/39/54/89/856395489.db2.gz LXOYOPBFOKIWBL-UHFFFAOYSA-N 0 0 406.486 4.018 20 5 HIBDRN CN(c1ccccc1)c1ccc(C[NH2+]CCc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000426678976 856408031 /nfs/dbraw/zinc/40/80/31/856408031.db2.gz SUFKFEXUQIEGNK-UHFFFAOYSA-N 0 0 405.454 4.393 20 5 HIBDRN O=C([O-])CC[C@H](Cc1ccccc1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426726019 856437287 /nfs/dbraw/zinc/43/72/87/856437287.db2.gz GNFITKNDMHNBSS-QGZVFWFLSA-N 0 0 411.483 4.284 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000426733221 856441657 /nfs/dbraw/zinc/44/16/57/856441657.db2.gz LVZYDTMJOVPFOG-KRWDZBQOSA-N 0 0 408.241 4.168 20 5 HIBDRN Cc1cc2cc(C[NH2+][C@@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])oc2cc1C ZINC000426740866 856445601 /nfs/dbraw/zinc/44/56/01/856445601.db2.gz CIKHQEDQNGIUOW-FQEVSTJZSA-N 0 0 407.426 4.225 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000426739582 856445741 /nfs/dbraw/zinc/44/57/41/856445741.db2.gz DFUKSLIXZMFZEN-FQEVSTJZSA-N 0 0 421.409 4.247 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000426742417 856447175 /nfs/dbraw/zinc/44/71/75/856447175.db2.gz JONXISMYVZFUFE-QGZVFWFLSA-N 0 0 413.817 4.261 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000426776062 856471943 /nfs/dbraw/zinc/47/19/43/856471943.db2.gz WKQQQBLNHPZLQJ-UHFFFAOYSA-N 0 0 419.359 4.102 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000426784551 856476285 /nfs/dbraw/zinc/47/62/85/856476285.db2.gz RXYQQICWNVSCFH-UHFFFAOYSA-N 0 0 417.824 4.477 20 5 HIBDRN CC(C)c1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000426816869 856495124 /nfs/dbraw/zinc/49/51/24/856495124.db2.gz MOKNCFUULFIXBI-KRWDZBQOSA-N 0 0 407.264 4.396 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccccc2F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000426832947 856504444 /nfs/dbraw/zinc/50/44/44/856504444.db2.gz BEZSQJGYGDJKAN-UHFFFAOYSA-N 0 0 422.416 4.189 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccnc(Oc2ccccc2F)c1 ZINC000426853783 856513677 /nfs/dbraw/zinc/51/36/77/856513677.db2.gz MFSQDXAPELTWCH-UHFFFAOYSA-N 0 0 410.405 4.263 20 5 HIBDRN Cc1ccsc1[C@@H](CO)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426930857 856547719 /nfs/dbraw/zinc/54/77/19/856547719.db2.gz FRWQKORZNUEKFX-GOSISDBHSA-N 0 0 412.467 4.007 20 5 HIBDRN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000426955632 856562413 /nfs/dbraw/zinc/56/24/13/856562413.db2.gz KFLVSHSFHMUYDN-GJYPPUQNSA-N 0 0 405.454 4.315 20 5 HIBDRN C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427056179 856613973 /nfs/dbraw/zinc/61/39/73/856613973.db2.gz CHYISOPALIPZFC-MRXNPFEDSA-N 0 0 406.438 4.240 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C)nn1-c1ccccc1C(F)(F)F ZINC000427115428 856647522 /nfs/dbraw/zinc/64/75/22/856647522.db2.gz RTQIFLPKAGOFLF-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Sc3nc4ccccc4[nH]3)cc2)n1 ZINC000427123585 856651772 /nfs/dbraw/zinc/65/17/72/856651772.db2.gz KBXKECSNJOFNOL-UHFFFAOYSA-N 0 0 408.443 4.091 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000427122005 856652197 /nfs/dbraw/zinc/65/21/97/856652197.db2.gz NSEPVLDUCGFLSZ-UHFFFAOYSA-N 0 0 405.382 4.181 20 5 HIBDRN Cc1ccccc1CN(Cc1ccccc1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000437469912 862832211 /nfs/dbraw/zinc/83/22/11/862832211.db2.gz GHUMHTQRTXUYAI-UHFFFAOYSA-N 0 0 417.465 4.379 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000427266006 856743059 /nfs/dbraw/zinc/74/30/59/856743059.db2.gz PYJQOMCEGUEGEW-UHFFFAOYSA-N 0 0 415.789 4.354 20 5 HIBDRN COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000427284743 856750486 /nfs/dbraw/zinc/75/04/86/856750486.db2.gz PNAWSCXOYICJTM-UHFFFAOYSA-N 0 0 409.398 4.360 20 5 HIBDRN CC[C@H](CN(C)C(=O)c1nn(CC)cc1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000427328620 856775338 /nfs/dbraw/zinc/77/53/38/856775338.db2.gz DCBKFDNBUMBPTQ-LLVKDONJSA-N 0 0 415.277 4.048 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)n1 ZINC000427357899 856791903 /nfs/dbraw/zinc/79/19/03/856791903.db2.gz OPYBYBHELOQEEJ-IBGZPJMESA-N 0 0 416.840 4.465 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000437475403 862836468 /nfs/dbraw/zinc/83/64/68/862836468.db2.gz SQLUQJZWCLZNNQ-NSODJVPESA-N 0 0 410.804 4.356 20 5 HIBDRN CCn1ncc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1-c1ccccc1 ZINC000427366744 856797089 /nfs/dbraw/zinc/79/70/89/856797089.db2.gz OVWWRYDYIVNIEY-UHFFFAOYSA-N 0 0 420.469 4.162 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000427367791 856797261 /nfs/dbraw/zinc/79/72/61/856797261.db2.gz UXTLZBLRUPDGFE-SFHVURJKSA-N 0 0 422.441 4.411 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)n1 ZINC000427365541 856797499 /nfs/dbraw/zinc/79/74/99/856797499.db2.gz KBWKZTQQJGCVMW-KRWDZBQOSA-N 0 0 402.813 4.123 20 5 HIBDRN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427366827 856797638 /nfs/dbraw/zinc/79/76/38/856797638.db2.gz PJDGYFXFTOUTCF-QGZVFWFLSA-N 0 0 411.506 4.173 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000427381729 856802666 /nfs/dbraw/zinc/80/26/66/856802666.db2.gz JADULODAXNLVKL-IBGZPJMESA-N 0 0 411.845 4.366 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CC[C@@H](OCc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000427421786 856812967 /nfs/dbraw/zinc/81/29/67/856812967.db2.gz RNKQFXRVCNGDQW-HXUWFJFHSA-N 0 0 403.438 4.016 20 5 HIBDRN 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ZINC000429537365 857730402 /nfs/dbraw/zinc/73/04/02/857730402.db2.gz MLKYQASFHNENQT-INIZCTEOSA-N 0 0 420.347 4.019 20 5 HIBDRN O=C(Nc1ccnn1Cc1ccc(F)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000429578189 857762952 /nfs/dbraw/zinc/76/29/52/857762952.db2.gz LVKGJVXBXQSSPI-UHFFFAOYSA-N 0 0 409.421 4.175 20 5 HIBDRN Cc1nn(C)c(C)c1[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(F)(F)F ZINC000429596073 857779359 /nfs/dbraw/zinc/77/93/59/857779359.db2.gz WIZGHESCVZCXBF-HNNXBMFYSA-N 0 0 412.393 4.193 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000429753337 857872149 /nfs/dbraw/zinc/87/21/49/857872149.db2.gz XANIFVMHXPUOHE-SIKLNZKXSA-N 0 0 415.465 4.246 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000429753339 857872314 /nfs/dbraw/zinc/87/23/14/857872314.db2.gz XANIFVMHXPUOHE-UGKGYDQZSA-N 0 0 415.465 4.246 20 5 HIBDRN Cc1ccc(Cn2nccc2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000429788354 857885141 /nfs/dbraw/zinc/88/51/41/857885141.db2.gz APAQFVZMQZEAHD-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN COc1ccc(-c2nn(Cc3ccc([N+](=O)[O-])cc3OC)c(=O)c3ccccc32)cc1 ZINC000429795213 857887072 /nfs/dbraw/zinc/88/70/72/857887072.db2.gz QWVPVVVLOOMRMG-UHFFFAOYSA-N 0 0 417.421 4.037 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)nn1-c1ccc(Br)cc1 ZINC000429834259 857902645 /nfs/dbraw/zinc/90/26/45/857902645.db2.gz YSMDUFNBBAGEJB-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000429845730 857908160 /nfs/dbraw/zinc/90/81/60/857908160.db2.gz XTMIHEGEJALNDF-INIZCTEOSA-N 0 0 419.275 4.179 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429847519 857909287 /nfs/dbraw/zinc/90/92/87/857909287.db2.gz COUFGMYXZNHPNN-UHFFFAOYSA-N 0 0 401.271 4.255 20 5 HIBDRN CC(C)(C(=O)NCc1ccc(OCc2ccccn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000429860734 857914838 /nfs/dbraw/zinc/91/48/38/857914838.db2.gz UOAQGQAWQVZCIF-UHFFFAOYSA-N 0 0 405.454 4.163 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N[C@H]1CC12CCCC2 ZINC000429947776 857964099 /nfs/dbraw/zinc/96/40/99/857964099.db2.gz PIRBHEDGBZPFAJ-HNNXBMFYSA-N 0 0 417.512 4.195 20 5 HIBDRN Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000429962308 857970772 /nfs/dbraw/zinc/97/07/72/857970772.db2.gz INZOIVVZASTMHT-UHFFFAOYSA-N 0 0 415.405 4.265 20 5 HIBDRN COCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000429966940 857974333 /nfs/dbraw/zinc/97/43/33/857974333.db2.gz RGNIAWBSEGATBE-CYBMUJFWSA-N 0 0 407.264 4.207 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(Br)cc2C)cc1SC ZINC000430109940 858035337 /nfs/dbraw/zinc/03/53/37/858035337.db2.gz FOVXFPRVMWRANU-UHFFFAOYSA-N 0 0 412.265 4.044 20 5 HIBDRN Cc1cc([C@@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1Br ZINC000430242297 858094867 /nfs/dbraw/zinc/09/48/67/858094867.db2.gz RTBPJDDVHPQIIJ-KRWDZBQOSA-N 0 0 418.291 4.102 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(c3ccccn3)C3CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000430285562 858108974 /nfs/dbraw/zinc/10/89/74/858108974.db2.gz UIFGXOHWLHLHHW-UHFFFAOYSA-N 0 0 419.485 4.441 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430442006 858166820 /nfs/dbraw/zinc/16/68/20/858166820.db2.gz PYJKHSAPOSAGCT-LJQANCHMSA-N 0 0 402.878 4.041 20 5 HIBDRN Cn1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430481085 858190075 /nfs/dbraw/zinc/19/00/75/858190075.db2.gz DWKVRXITWTZHHX-UHFFFAOYSA-N 0 0 403.398 4.266 20 5 HIBDRN CC(C)(NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000430516962 858205024 /nfs/dbraw/zinc/20/50/24/858205024.db2.gz CANQIPNVZBQBKO-UHFFFAOYSA-N 0 0 409.486 4.066 20 5 HIBDRN CSc1nnc(CCCNc2c3c(ccc2[N+](=O)[O-])NCC3)n1C1CCCC1 ZINC000430513642 858205119 /nfs/dbraw/zinc/20/51/19/858205119.db2.gz GUUJJRLDGATHBU-UHFFFAOYSA-N 0 0 402.524 4.036 20 5 HIBDRN CC(C)CC(=O)Nc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000430529385 858208334 /nfs/dbraw/zinc/20/83/34/858208334.db2.gz NYOPLZZUMUKYAB-UHFFFAOYSA-N 0 0 401.438 4.384 20 5 HIBDRN Cc1cc(OCC(=O)N(C)CCCc2cc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000430553451 858216231 /nfs/dbraw/zinc/21/62/31/858216231.db2.gz OWAGLYQQLZMJGR-UHFFFAOYSA-N 0 0 409.442 4.028 20 5 HIBDRN COc1cc(C(C)=O)ccc1OCCCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000430554949 858216887 /nfs/dbraw/zinc/21/68/87/858216887.db2.gz WPVUDLWJZJSENI-UHFFFAOYSA-N 0 0 414.458 4.017 20 5 HIBDRN CCOc1cc(C(=O)NCC(C)(C)c2ccc(CC)cc2)c([N+](=O)[O-])cc1OC ZINC000430559646 858218318 /nfs/dbraw/zinc/21/83/18/858218318.db2.gz UCMRGQJXQWENOK-UHFFFAOYSA-N 0 0 400.475 4.272 20 5 HIBDRN O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430594140 858230970 /nfs/dbraw/zinc/23/09/70/858230970.db2.gz GADAGAIFYGZFGK-RHSMWYFYSA-N 0 0 403.276 4.499 20 5 HIBDRN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430642321 858244922 /nfs/dbraw/zinc/24/49/22/858244922.db2.gz OGJCALAXQJCNJM-JOYOIKCWSA-N 0 0 409.202 4.456 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c(-c3ccncc3)nc3ccccn32)c1 ZINC000430652732 858249707 /nfs/dbraw/zinc/24/97/07/858249707.db2.gz JDQHMMPJQMJGFW-UHFFFAOYSA-N 0 0 405.439 4.279 20 5 HIBDRN COc1ccc(CSCC(=O)N2c3ccccc3SC[C@H]2C)cc1[N+](=O)[O-] ZINC000430656839 858252409 /nfs/dbraw/zinc/25/24/09/858252409.db2.gz VDWNYSJLNWOWKL-CYBMUJFWSA-N 0 0 404.513 4.364 20 5 HIBDRN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000430659958 858253656 /nfs/dbraw/zinc/25/36/56/858253656.db2.gz BUXMJPAFQSWLKJ-OYHNWAKOSA-N 0 0 411.477 4.390 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000430668105 858259483 /nfs/dbraw/zinc/25/94/83/858259483.db2.gz XAMJNYSHJBRVMO-ODXCJYRJSA-N 0 0 402.422 4.195 20 5 HIBDRN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1OCC1CCOCC1 ZINC000430690761 858270615 /nfs/dbraw/zinc/27/06/15/858270615.db2.gz HQKJQYBLCQPJMP-UHFFFAOYSA-N 0 0 414.458 4.035 20 5 HIBDRN CCc1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cnn1-c1cccc(Cl)c1 ZINC000430826389 858319009 /nfs/dbraw/zinc/31/90/09/858319009.db2.gz HADFAMYCGIOEDJ-UHFFFAOYSA-N 0 0 414.849 4.322 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000430838276 858325963 /nfs/dbraw/zinc/32/59/63/858325963.db2.gz KIRCQBWYEVDWND-QGZVFWFLSA-N 0 0 415.449 4.425 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)CN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000430852515 858334088 /nfs/dbraw/zinc/33/40/88/858334088.db2.gz CHSSPCWVPUCXBT-LBPRGKRZSA-N 0 0 407.348 4.139 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cc2ccccc2c(=O)o1 ZINC000430920150 858371019 /nfs/dbraw/zinc/37/10/19/858371019.db2.gz TWPWJTWVSHKCQJ-UHFFFAOYSA-N 0 0 414.373 4.185 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(COc2ccccc2)CC1 ZINC000431027035 858408634 /nfs/dbraw/zinc/40/86/34/858408634.db2.gz ZHFVCVCPVBURDZ-UHFFFAOYSA-N 0 0 419.275 4.289 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1ccccn1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437680290 863021416 /nfs/dbraw/zinc/02/14/16/863021416.db2.gz LAMQZJPMTFBQGT-JOCHJYFZSA-N 0 0 402.454 4.453 20 5 HIBDRN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431069463 858432847 /nfs/dbraw/zinc/43/28/47/858432847.db2.gz LYAZVWUJJUHWKG-UHFFFAOYSA-N 0 0 410.474 4.196 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000431113294 858452137 /nfs/dbraw/zinc/45/21/37/858452137.db2.gz SMSLZQSGJRTHJY-UHFFFAOYSA-N 0 0 403.438 4.470 20 5 HIBDRN COc1cc(F)c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1OC ZINC000431176187 858487980 /nfs/dbraw/zinc/48/79/80/858487980.db2.gz BVTOXBWPCAOMOR-UHFFFAOYSA-N 0 0 413.199 4.074 20 5 HIBDRN Cc1c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc(Br)cc1[N+](=O)[O-] ZINC000431180055 858490384 /nfs/dbraw/zinc/49/03/84/858490384.db2.gz GENAYVQHJACGJW-HNNXBMFYSA-N 0 0 411.639 4.261 20 5 HIBDRN Cc1c(NC(=O)c2ccc(O[C@@H]3CCOC3)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000431181791 858491301 /nfs/dbraw/zinc/49/13/01/858491301.db2.gz SKIUEVNONVLFGF-OAHLLOKOSA-N 0 0 421.247 4.086 20 5 HIBDRN Cc1ccnn1-c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000431182526 858492024 /nfs/dbraw/zinc/49/20/24/858492024.db2.gz NLIINFMXUNUDEX-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F ZINC000431218995 858512415 /nfs/dbraw/zinc/51/24/15/858512415.db2.gz MSUZUUBOZHAAFI-UHFFFAOYSA-N 0 0 419.153 4.394 20 5 HIBDRN Cc1c(NC(=O)c2cc(=O)[nH]c3ccccc32)cc(Br)cc1[N+](=O)[O-] ZINC000431225618 858515684 /nfs/dbraw/zinc/51/56/84/858515684.db2.gz SEBVBAGUZUEKPG-UHFFFAOYSA-N 0 0 402.204 4.172 20 5 HIBDRN CC(=O)Nc1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1C ZINC000431233519 858521189 /nfs/dbraw/zinc/52/11/89/858521189.db2.gz BJNWBKGKOJVXJS-UHFFFAOYSA-N 0 0 406.236 4.185 20 5 HIBDRN CC(C)C(=O)Nc1ccc(C(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1 ZINC000431235824 858521829 /nfs/dbraw/zinc/52/18/29/858521829.db2.gz GXHABNQFEJXJLR-UHFFFAOYSA-N 0 0 421.247 4.214 20 5 HIBDRN Cc1c(NC(=O)Cc2ccccc2OC(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000431244022 858526575 /nfs/dbraw/zinc/52/65/75/858526575.db2.gz WVRNMLQUNMQJES-UHFFFAOYSA-N 0 0 415.190 4.448 20 5 HIBDRN Cc1c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cnn1-c1ccccc1 ZINC000431247937 858529708 /nfs/dbraw/zinc/52/97/08/858529708.db2.gz GXMHSXKBJUQMES-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000431255683 858534496 /nfs/dbraw/zinc/53/44/96/858534496.db2.gz MZEFEVFYNLFZSV-CKJXQJPGSA-N 0 0 422.547 4.142 20 5 HIBDRN CC(C)c1ccc(C(=O)N(CCc2ccccn2)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000431293947 858551049 /nfs/dbraw/zinc/55/10/49/858551049.db2.gz GSHVGGOZMIGVAN-UHFFFAOYSA-N 0 0 404.470 4.393 20 5 HIBDRN CC(C)(NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000431398422 858595064 /nfs/dbraw/zinc/59/50/64/858595064.db2.gz GBFCAYWYDLHWNT-UHFFFAOYSA-N 0 0 408.414 4.497 20 5 HIBDRN CC(C)(NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000431416003 858603943 /nfs/dbraw/zinc/60/39/43/858603943.db2.gz UOYBVEWMGMKQMP-UHFFFAOYSA-N 0 0 410.474 4.278 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3F)CC2)ccc1[N+](=O)[O-] ZINC000431431444 858611621 /nfs/dbraw/zinc/61/16/21/858611621.db2.gz FSWUOMXOLWKELI-UHFFFAOYSA-N 0 0 422.844 4.140 20 5 HIBDRN Cc1ccc(NC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000431435438 858613338 /nfs/dbraw/zinc/61/33/38/858613338.db2.gz QQDLDOBIHDOGRS-UHFFFAOYSA-N 0 0 413.865 4.487 20 5 HIBDRN O=C(NCCCCOCc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431447060 858620948 /nfs/dbraw/zinc/62/09/48/858620948.db2.gz SSPCQEKZXSZMKT-UHFFFAOYSA-N 0 0 407.264 4.084 20 5 HIBDRN CC(C)(C)c1csc(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000431449743 858621914 /nfs/dbraw/zinc/62/19/14/858621914.db2.gz BCPDDLXVIPCBKO-UHFFFAOYSA-N 0 0 412.309 4.084 20 5 HIBDRN COc1cccc(C2=CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)c1 ZINC000431462160 858628382 /nfs/dbraw/zinc/62/83/82/858628382.db2.gz YPTJAACTMOLOJE-UHFFFAOYSA-N 0 0 417.259 4.295 20 5 HIBDRN C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000431470125 858632289 /nfs/dbraw/zinc/63/22/89/858632289.db2.gz GQVXHTIMGXVSBS-ZETCQYMHSA-N 0 0 402.046 4.083 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000431487943 858640606 /nfs/dbraw/zinc/64/06/06/858640606.db2.gz YGSZOPZXFPADJL-OAHLLOKOSA-N 0 0 419.275 4.036 20 5 HIBDRN CC(C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000431532925 858659471 /nfs/dbraw/zinc/65/94/71/858659471.db2.gz PJWCMOHOMUYFOC-INIZCTEOSA-N 0 0 406.280 4.224 20 5 HIBDRN C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000431664248 858723256 /nfs/dbraw/zinc/72/32/56/858723256.db2.gz KRCPCOOBQGRQHO-LBPRGKRZSA-N 0 0 413.409 4.079 20 5 HIBDRN C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC000431736344 858774425 /nfs/dbraw/zinc/77/44/25/858774425.db2.gz NMXSZABYQRAZNC-GFCCVEGCSA-N 0 0 415.837 4.201 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431776911 858806897 /nfs/dbraw/zinc/80/68/97/858806897.db2.gz UVZPMGSICKTMAJ-KRWDZBQOSA-N 0 0 405.248 4.343 20 5 HIBDRN COc1ccccc1CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000431785959 858810778 /nfs/dbraw/zinc/81/07/78/858810778.db2.gz BRSOHYHADSYDJT-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000431890579 858858700 /nfs/dbraw/zinc/85/87/00/858858700.db2.gz SPCXFQLDHUPXTP-UHFFFAOYSA-N 0 0 404.426 4.158 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1cc2n(n1)CCCO2 ZINC000431895760 858860073 /nfs/dbraw/zinc/86/00/73/858860073.db2.gz GVYAQDRVXZDPNR-UHFFFAOYSA-N 0 0 402.457 4.039 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000431943216 858881052 /nfs/dbraw/zinc/88/10/52/858881052.db2.gz SATZSRGACAUABX-UHFFFAOYSA-N 0 0 423.238 4.180 20 5 HIBDRN Cc1ccc([C@H](C)N2C(=O)N[C@@H](Cc3cccc4ccccc43)C2=O)cc1[N+](=O)[O-] ZINC000431960133 858888498 /nfs/dbraw/zinc/88/84/98/858888498.db2.gz ZVAVONRXQDGWPI-YWZLYKJASA-N 0 0 403.438 4.281 20 5 HIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000432029160 858938850 /nfs/dbraw/zinc/93/88/50/858938850.db2.gz BCFPAAANSFHKAS-MRXNPFEDSA-N 0 0 419.485 4.180 20 5 HIBDRN COC(=O)c1cccc(NC2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)c1 ZINC000432053673 858952905 /nfs/dbraw/zinc/95/29/05/858952905.db2.gz QIJQLIFKRADVSO-UHFFFAOYSA-N 0 0 421.400 4.064 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccc4[nH]c(C)cc4c3)CC2)ccc1[N+](=O)[O-] ZINC000432055149 858954616 /nfs/dbraw/zinc/95/46/16/858954616.db2.gz PGYBOWBHQUWAJL-UHFFFAOYSA-N 0 0 423.473 4.137 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000432060465 858958696 /nfs/dbraw/zinc/95/86/96/858958696.db2.gz DRDGQGRBYKVGKH-UHFFFAOYSA-N 0 0 418.393 4.244 20 5 HIBDRN CC(C)CO[C@H](C)c1noc(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000467543946 881365410 /nfs/dbraw/zinc/36/54/10/881365410.db2.gz SAXKQGIXYYFUSQ-GFCCVEGCSA-N 0 0 409.464 4.011 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)Nc2cc3c(cc2Cl)CCC3=O)cc1[N+](=O)[O-] ZINC000432077460 858972277 /nfs/dbraw/zinc/97/22/77/858972277.db2.gz IVHBYLSPKNUVES-UHFFFAOYSA-N 0 0 415.254 4.140 20 5 HIBDRN COc1ccc(CNC(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000432082998 858976033 /nfs/dbraw/zinc/97/60/33/858976033.db2.gz XMIJJWILXFHCKZ-HNNXBMFYSA-N 0 0 411.380 4.139 20 5 HIBDRN O=C(Nc1c[nH]nc1[C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000432129818 859006036 /nfs/dbraw/zinc/00/60/36/859006036.db2.gz NFAMYOKGKUEFPI-AWEZNQCLSA-N 0 0 417.897 4.484 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000432132557 859008328 /nfs/dbraw/zinc/00/83/28/859008328.db2.gz DOZJPVJONPDKBY-NSHDSACASA-N 0 0 408.423 4.208 20 5 HIBDRN CS(=O)(=O)c1ccc(NCC[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000432133391 859009179 /nfs/dbraw/zinc/00/91/79/859009179.db2.gz LVFBQVJLFGXJNO-CQSZACIVSA-N 0 0 402.394 4.146 20 5 HIBDRN CCOC(=O)c1csc(C2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)n1 ZINC000432177834 859031827 /nfs/dbraw/zinc/03/18/27/859031827.db2.gz QRLQLLRFEZJIES-UHFFFAOYSA-N 0 0 412.471 4.160 20 5 HIBDRN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC[C@H]1c1ccccc1 ZINC000432187864 859037854 /nfs/dbraw/zinc/03/78/54/859037854.db2.gz XPJHGNFBMYHTQY-FUHWJXTLSA-N 0 0 405.454 4.174 20 5 HIBDRN COc1cc(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)cc([N+](=O)[O-])c1OC ZINC000432205992 859046428 /nfs/dbraw/zinc/04/64/28/859046428.db2.gz OFEIADMMXWWXNI-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c([N+](=O)[O-])c1 ZINC000432261236 859073191 /nfs/dbraw/zinc/07/31/91/859073191.db2.gz ZYFVOYZBOUEQOW-ZDUSSCGKSA-N 0 0 400.378 4.148 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c([N+](=O)[O-])c1 ZINC000432261235 859073334 /nfs/dbraw/zinc/07/33/34/859073334.db2.gz ZYFVOYZBOUEQOW-CYBMUJFWSA-N 0 0 400.378 4.148 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000432307337 859096383 /nfs/dbraw/zinc/09/63/83/859096383.db2.gz MBANSZOQRVNZFG-GFCCVEGCSA-N 0 0 420.796 4.493 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c1C ZINC000432306942 859096435 /nfs/dbraw/zinc/09/64/35/859096435.db2.gz KLBZPWZWGYLNKX-CQSZACIVSA-N 0 0 414.405 4.457 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000432308096 859096449 /nfs/dbraw/zinc/09/64/49/859096449.db2.gz QOAHPVYQHLPLCG-CQSZACIVSA-N 0 0 400.378 4.148 20 5 HIBDRN COc1ccc(CNC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000432378023 859131037 /nfs/dbraw/zinc/13/10/37/859131037.db2.gz OCWGOKXZJYFUNE-QGZVFWFLSA-N 0 0 405.401 4.318 20 5 HIBDRN C[C@@H](Sc1nnc2n(C)c3ccccc3n12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000432385997 859138006 /nfs/dbraw/zinc/13/80/06/859138006.db2.gz HLNPBLGHUQRTES-LLVKDONJSA-N 0 0 421.442 4.033 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000432422104 859157373 /nfs/dbraw/zinc/15/73/73/859157373.db2.gz CQJYVWYYLHTSKE-UHFFFAOYSA-N 0 0 413.865 4.487 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000432448750 859168451 /nfs/dbraw/zinc/16/84/51/859168451.db2.gz SSPBYQMPKURGRF-NXEZZACHSA-N 0 0 412.265 4.105 20 5 HIBDRN C[C@H]1COCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000432469642 859179292 /nfs/dbraw/zinc/17/92/92/859179292.db2.gz DVIDDERJOXIEET-SCLBCKFNSA-N 0 0 403.866 4.015 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Br)cc([N+](=O)[O-])c1 ZINC000432534929 859214945 /nfs/dbraw/zinc/21/49/45/859214945.db2.gz NESRRTMSNBAUHD-UHFFFAOYSA-N 0 0 421.247 4.403 20 5 HIBDRN CC(C)(NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1[N+](=O)[O-] ZINC000432695102 859299627 /nfs/dbraw/zinc/29/96/27/859299627.db2.gz KIDVDSRKCZCISG-UHFFFAOYSA-N 0 0 408.414 4.497 20 5 HIBDRN COCCOc1c(Cl)cccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000432769719 859350772 /nfs/dbraw/zinc/35/07/72/859350772.db2.gz TXNRBQDNLMASOX-UHFFFAOYSA-N 0 0 407.854 4.330 20 5 HIBDRN CC(C)(NC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000432770979 859351884 /nfs/dbraw/zinc/35/18/84/859351884.db2.gz ZANUDOXAOVNXLL-UHFFFAOYSA-N 0 0 424.501 4.207 20 5 HIBDRN O=C(NCc1ncoc1-c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000467604455 881411670 /nfs/dbraw/zinc/41/16/70/881411670.db2.gz WVYNOJAVHXCQJS-UHFFFAOYSA-N 0 0 421.331 4.121 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CC[C@H](C)S(=O)(=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000432812654 859370957 /nfs/dbraw/zinc/37/09/57/859370957.db2.gz JNPZPQQIHPHTGI-INIZCTEOSA-N 0 0 420.556 4.063 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000433025301 859485906 /nfs/dbraw/zinc/48/59/06/859485906.db2.gz JLZUGEWATYQEHP-ASHKIFAZSA-N 0 0 408.907 4.241 20 5 HIBDRN C[C@@H]1CC[S@](=O)CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000433032482 859490393 /nfs/dbraw/zinc/49/03/93/859490393.db2.gz RKVCVVJXBBBJGL-ASHKIFAZSA-N 0 0 408.907 4.383 20 5 HIBDRN CC[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(=O)OC ZINC000467629232 881429705 /nfs/dbraw/zinc/42/97/05/881429705.db2.gz JQKOXSULUQYUTF-CQSZACIVSA-N 0 0 408.863 4.081 20 5 HIBDRN COc1ccc([C@@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2nccn2C)cc1 ZINC000433137491 859535334 /nfs/dbraw/zinc/53/53/34/859535334.db2.gz UCGVOZLVUNJJQX-LEWJYISDSA-N 0 0 406.486 4.439 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1)n1cncn1 ZINC000433236844 859582922 /nfs/dbraw/zinc/58/29/22/859582922.db2.gz YTPMKRHHILWQEA-VBKZILBWSA-N 0 0 420.473 4.221 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000433318442 859637329 /nfs/dbraw/zinc/63/73/29/859637329.db2.gz GMNFTNUSZWLHQQ-UHFFFAOYSA-N 0 0 415.515 4.122 20 5 HIBDRN CC(C)(C)OC1CC(CCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000433473743 859720134 /nfs/dbraw/zinc/72/01/34/859720134.db2.gz YOQHBUSCMOGLPV-UHFFFAOYSA-N 0 0 401.410 4.302 20 5 HIBDRN CC(C)(c1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1)C(F)(F)F ZINC000433584397 859794976 /nfs/dbraw/zinc/79/49/76/859794976.db2.gz HWFVFOVFLLPHSX-UHFFFAOYSA-N 0 0 421.419 4.397 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2cc[nH]c2c1 ZINC000433602130 859804925 /nfs/dbraw/zinc/80/49/25/859804925.db2.gz CTTFGNWHHMALME-UHFFFAOYSA-N 0 0 407.352 4.329 20 5 HIBDRN CNC(=O)c1ccc(N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c([N+](=O)[O-])c1 ZINC000433760331 859880704 /nfs/dbraw/zinc/88/07/04/859880704.db2.gz SDVOJZDOARCQCL-LJQANCHMSA-N 0 0 407.474 4.227 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000433840109 859925952 /nfs/dbraw/zinc/92/59/52/859925952.db2.gz WIAFLSHYGWDGAM-CQSZACIVSA-N 0 0 421.457 4.185 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(OCC(F)(F)F)cn1 ZINC000433868154 859943328 /nfs/dbraw/zinc/94/33/28/859943328.db2.gz LSBCCGOYUAIQKO-UHFFFAOYSA-N 0 0 409.242 4.202 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000433897801 859956553 /nfs/dbraw/zinc/95/65/53/859956553.db2.gz PSBKILTXVVHSIH-UHFFFAOYSA-N 0 0 406.280 4.050 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000433949494 859996980 /nfs/dbraw/zinc/99/69/80/859996980.db2.gz RAGDOLVBYAUEMN-UHFFFAOYSA-N 0 0 410.478 4.236 20 5 HIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000434016314 860042371 /nfs/dbraw/zinc/04/23/71/860042371.db2.gz HJMLWTWVNBKQRM-UHFFFAOYSA-N 0 0 410.861 4.498 20 5 HIBDRN CC(C)[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccnc1 ZINC000434168765 860162945 /nfs/dbraw/zinc/16/29/45/860162945.db2.gz WIRRKQFHYRFUJH-MRXNPFEDSA-N 0 0 411.380 4.101 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000434180460 860173144 /nfs/dbraw/zinc/17/31/44/860173144.db2.gz CDZNHBGDODGYGA-QGZVFWFLSA-N 0 0 414.412 4.433 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1[N+](=O)[O-] ZINC000434183832 860174466 /nfs/dbraw/zinc/17/44/66/860174466.db2.gz PBHDRNSRRUVDBS-CYBMUJFWSA-N 0 0 411.487 4.423 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] ZINC000434193934 860181221 /nfs/dbraw/zinc/18/12/21/860181221.db2.gz OLXXVSBNNCWPJX-UHFFFAOYSA-N 0 0 422.445 4.015 20 5 HIBDRN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000434200979 860186785 /nfs/dbraw/zinc/18/67/85/860186785.db2.gz NAYDRYXGKGDAPR-DIFFPNOSSA-N 0 0 407.373 4.052 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)c(F)c1 ZINC000434213356 860198814 /nfs/dbraw/zinc/19/88/14/860198814.db2.gz HFVGTSNOHGHDFN-MRXNPFEDSA-N 0 0 409.801 4.122 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(Br)cc1C ZINC000434230063 860214396 /nfs/dbraw/zinc/21/43/96/860214396.db2.gz FDGRRWKINNMKDL-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN CCOc1cc(NC(=O)N(C)Cc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1OCC ZINC000434230552 860215094 /nfs/dbraw/zinc/21/50/94/860215094.db2.gz HUTVGMIZTVSPTM-UHFFFAOYSA-N 0 0 409.389 4.334 20 5 HIBDRN O=C(C[C@H]1CCCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccco1 ZINC000434243539 860224361 /nfs/dbraw/zinc/22/43/61/860224361.db2.gz DXZMIMHKKLWZKF-QGZVFWFLSA-N 0 0 409.442 4.187 20 5 HIBDRN COc1cc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1OC ZINC000434244569 860225846 /nfs/dbraw/zinc/22/58/46/860225846.db2.gz SPGCYORUMTXAOT-UHFFFAOYSA-N 0 0 402.834 4.195 20 5 HIBDRN C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000434262989 860239627 /nfs/dbraw/zinc/23/96/27/860239627.db2.gz ZPHRVPWIHPCLDM-HSZRJFAPSA-N 0 0 404.470 4.266 20 5 HIBDRN O=C(NCCOCC(F)(F)C(F)F)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000434311419 860273023 /nfs/dbraw/zinc/27/30/23/860273023.db2.gz GQAJDHQPQOKHSF-UHFFFAOYSA-N 0 0 416.327 4.034 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000434328743 860290978 /nfs/dbraw/zinc/29/09/78/860290978.db2.gz ZLAHPROGDOLISR-KDOFPFPSSA-N 0 0 423.391 4.114 20 5 HIBDRN CC(C)Oc1ccc(Br)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000434551923 860397042 /nfs/dbraw/zinc/39/70/42/860397042.db2.gz MEXJSQBCZYNXAM-UHFFFAOYSA-N 0 0 419.235 4.273 20 5 HIBDRN O=C(NCc1csc(CCc2ccccc2)n1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000434556798 860399802 /nfs/dbraw/zinc/39/98/02/860399802.db2.gz ASVVWCFRJZRCRS-UHFFFAOYSA-N 0 0 406.467 4.248 20 5 HIBDRN CSc1ccc(C(=O)NCc2csc(CCc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000434568059 860406293 /nfs/dbraw/zinc/40/62/93/860406293.db2.gz XFAWZKVGXMOCOC-UHFFFAOYSA-N 0 0 413.524 4.488 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000434606312 860424302 /nfs/dbraw/zinc/42/43/02/860424302.db2.gz LASGYMXAVSDZAG-UHFFFAOYSA-N 0 0 422.268 4.262 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2c(C)cc(C)c(C(C)=O)c2C)ccc1[N+](=O)[O-] ZINC000434639682 860442549 /nfs/dbraw/zinc/44/25/49/860442549.db2.gz ZPXHRTGMBRLJFW-UHFFFAOYSA-N 0 0 419.499 4.236 20 5 HIBDRN CN(Cc1cc(F)cc(F)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000434763479 860486155 /nfs/dbraw/zinc/48/61/55/860486155.db2.gz FNXJRSGLCZDAOP-UHFFFAOYSA-N 0 0 411.213 4.001 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CSc3nnc(NCCc4cccs4)s3)nc2c1 ZINC000434793735 860496722 /nfs/dbraw/zinc/49/67/22/860496722.db2.gz IWOAYQYHIVKPCN-UHFFFAOYSA-N 0 0 419.513 4.596 20 5 HIBDRN C[C@H](SCC(=O)C(C)(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434802228 860500144 /nfs/dbraw/zinc/50/01/44/860500144.db2.gz JYWTWEYIEGJOKE-NSHDSACASA-N 0 0 407.517 4.394 20 5 HIBDRN CCOc1cc(CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)ccc1OC(F)F ZINC000434832199 860511505 /nfs/dbraw/zinc/51/15/05/860511505.db2.gz CJMXBTLRMFKXRS-UHFFFAOYSA-N 0 0 407.373 4.368 20 5 HIBDRN C[C@H](c1ccccc1Cl)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000434836620 860514721 /nfs/dbraw/zinc/51/47/21/860514721.db2.gz ATWQMIGUJSMACH-CQSZACIVSA-N 0 0 400.866 4.268 20 5 HIBDRN CN(Cc1ccco1)C(=O)CNc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000434883519 860534441 /nfs/dbraw/zinc/53/44/41/860534441.db2.gz QBMXPGLCDUOBAR-UHFFFAOYSA-N 0 0 403.485 4.471 20 5 HIBDRN CC[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000434944187 860567296 /nfs/dbraw/zinc/56/72/96/860567296.db2.gz URSWKZCCGRTHTQ-INIZCTEOSA-N 0 0 418.881 4.208 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)CCCNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000434957484 860573476 /nfs/dbraw/zinc/57/34/76/860573476.db2.gz FDLXKSMLHHQAPT-CYBMUJFWSA-N 0 0 406.870 4.111 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)CCCNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000434957485 860573875 /nfs/dbraw/zinc/57/38/75/860573875.db2.gz FDLXKSMLHHQAPT-ZDUSSCGKSA-N 0 0 406.870 4.111 20 5 HIBDRN COc1cc(CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)c(SC)cc1OC ZINC000435041393 860611410 /nfs/dbraw/zinc/61/14/10/860611410.db2.gz IEHMXKDREQDRRP-UHFFFAOYSA-N 0 0 403.460 4.107 20 5 HIBDRN O=C(NCC1(Cc2ccccc2)CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000435296047 860725018 /nfs/dbraw/zinc/72/50/18/860725018.db2.gz CVLQTRZPLUODHV-UHFFFAOYSA-N 0 0 408.376 4.289 20 5 HIBDRN Cc1ccn(C2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)CC2)n1 ZINC000435322848 860734953 /nfs/dbraw/zinc/73/49/53/860734953.db2.gz HHFGFWGVVVHPCZ-UHFFFAOYSA-N 0 0 422.283 4.040 20 5 HIBDRN CO[C@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccccc1 ZINC000435325197 860736370 /nfs/dbraw/zinc/73/63/70/860736370.db2.gz ZEMLDSQWMDTBHB-MRXNPFEDSA-N 0 0 408.252 4.175 20 5 HIBDRN Cc1c(NC(=O)N[C@H](C)Cc2ccc(O)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000435324960 860736488 /nfs/dbraw/zinc/73/64/88/860736488.db2.gz XYVYSOQIYVBNRI-SNVBAGLBSA-N 0 0 408.252 4.124 20 5 HIBDRN Cc1c(NC(=O)NCCC[C@H]2CCCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000435327370 860737996 /nfs/dbraw/zinc/73/79/96/860737996.db2.gz GXNAHZWGMZBPNK-CYBMUJFWSA-N 0 0 400.273 4.137 20 5 HIBDRN Cc1c(NC(=O)NCCCOC2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435327001 860738482 /nfs/dbraw/zinc/73/84/82/860738482.db2.gz FRALZASZVQUVPJ-UHFFFAOYSA-N 0 0 400.273 4.137 20 5 HIBDRN Cc1noc(C)c1C[C@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435327120 860738525 /nfs/dbraw/zinc/73/85/25/860738525.db2.gz GDXWQFYZRVAHFL-QMMMGPOBSA-N 0 0 411.256 4.023 20 5 HIBDRN Cc1c(NC(=O)N[C@H](CCO)C2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435327571 860739150 /nfs/dbraw/zinc/73/91/50/860739150.db2.gz HTRFFYFKTISWAF-CQSZACIVSA-N 0 0 414.300 4.119 20 5 HIBDRN CCC[C@]1(COC)CCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435328396 860739906 /nfs/dbraw/zinc/73/99/06/860739906.db2.gz KWGLIYRLNWAMIC-QGZVFWFLSA-N 0 0 414.300 4.479 20 5 HIBDRN Cc1c(NC(=O)NCCCc2ccc(O)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000435328226 860739997 /nfs/dbraw/zinc/73/99/97/860739997.db2.gz KHSPDPWIXMYLBS-UHFFFAOYSA-N 0 0 408.252 4.126 20 5 HIBDRN COc1ccccc1CN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435328860 860740080 /nfs/dbraw/zinc/74/00/80/860740080.db2.gz NDLIJYUQUSWWGR-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1OC ZINC000435329337 860740564 /nfs/dbraw/zinc/74/05/64/860740564.db2.gz OXGFJPRBBCFIHU-UHFFFAOYSA-N 0 0 424.251 4.005 20 5 HIBDRN Cc1c(NC(=O)NCCC[C@@H]2CCCC[C@H]2O)cc(Br)cc1[N+](=O)[O-] ZINC000435328974 860740718 /nfs/dbraw/zinc/74/07/18/860740718.db2.gz NTRVYJNTHZMRPU-BLLLJJGKSA-N 0 0 414.300 4.119 20 5 HIBDRN CCS[C@@H]1CCC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435329491 860740727 /nfs/dbraw/zinc/74/07/27/860740727.db2.gz PXUZTDZKNKSZGY-BXUZGUMPSA-N 0 0 402.314 4.461 20 5 HIBDRN Cc1c(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435328951 860740855 /nfs/dbraw/zinc/74/08/55/860740855.db2.gz NPYSHKGMLCYZQN-PSASIEDQSA-N 0 0 410.190 4.470 20 5 HIBDRN Cc1c(NC(=O)N2CCC(OC(C)(C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435330436 860741360 /nfs/dbraw/zinc/74/13/60/860741360.db2.gz SSKAXMHRALIGIG-UHFFFAOYSA-N 0 0 414.300 4.477 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](CCCO)c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000435331082 860742250 /nfs/dbraw/zinc/74/22/50/860742250.db2.gz YPEFPTDDZFPKMH-HNNXBMFYSA-N 0 0 422.279 4.301 20 5 HIBDRN Cc1c(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cnn1CC(C)C ZINC000435331790 860743306 /nfs/dbraw/zinc/74/33/06/860743306.db2.gz ITWDCMVFZRTQAX-UHFFFAOYSA-N 0 0 410.272 4.471 20 5 HIBDRN Cc1c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccccc1 ZINC000435337913 860748102 /nfs/dbraw/zinc/74/81/02/860748102.db2.gz ZPSSFFIEKCTXTD-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C ZINC000435361587 860762112 /nfs/dbraw/zinc/76/21/12/860762112.db2.gz FZQKTOSQXVOMAB-MZNJEOGPSA-N 0 0 418.497 4.095 20 5 HIBDRN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cnn1-c1ccccc1 ZINC000435376571 860773668 /nfs/dbraw/zinc/77/36/68/860773668.db2.gz RUKINFSOTOZGLE-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCCC[C@H]2Oc2cccc(C)c2)c([N+](=O)[O-])cc1OC ZINC000435457018 860805528 /nfs/dbraw/zinc/80/55/28/860805528.db2.gz JCUXMTHXSHULNY-IEBWSBKVSA-N 0 0 414.458 4.040 20 5 HIBDRN C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435487795 860817812 /nfs/dbraw/zinc/81/78/12/860817812.db2.gz VSTZETOPKODHMW-STQMWFEESA-N 0 0 419.528 4.441 20 5 HIBDRN C[C@H](CC1CC1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435490559 860819657 /nfs/dbraw/zinc/81/96/57/860819657.db2.gz PPYWKLOJPJTKPE-LLVKDONJSA-N 0 0 405.501 4.051 20 5 HIBDRN O=C(NCCC1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435507327 860827481 /nfs/dbraw/zinc/82/74/81/860827481.db2.gz ZSCQQAGYJIXGNW-UHFFFAOYSA-N 0 0 419.528 4.443 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)cc(Br)c1F ZINC000435535900 860850651 /nfs/dbraw/zinc/85/06/51/860850651.db2.gz SFTSASTUYUHTEA-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000435538247 860852400 /nfs/dbraw/zinc/85/24/00/860852400.db2.gz ZYUORMPXIWSBQQ-ZDUSSCGKSA-N 0 0 406.822 4.067 20 5 HIBDRN COc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1[N+](=O)[O-] ZINC000435544302 860858615 /nfs/dbraw/zinc/85/86/15/860858615.db2.gz ZQTNBZNOFHBGMW-UHFFFAOYSA-N 0 0 409.423 4.403 20 5 HIBDRN COc1cccc(C(=O)NCc2ccc(COCc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000435548475 860864271 /nfs/dbraw/zinc/86/42/71/860864271.db2.gz OTALTOVVFREFGY-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000435569525 860889662 /nfs/dbraw/zinc/88/96/62/860889662.db2.gz KECRUCCNVYSUAC-SWLSCSKDSA-N 0 0 401.271 4.273 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(Br)c(Cl)c2F)c([N+](=O)[O-])c1 ZINC000435669300 860948249 /nfs/dbraw/zinc/94/82/49/860948249.db2.gz KKPDRLMNAUMYJG-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN CCOC(=O)c1cc(NCc2ccc(OCc3ccccn3)cc2)ccc1[N+](=O)[O-] ZINC000467780999 881602094 /nfs/dbraw/zinc/60/20/94/881602094.db2.gz YOLUCXUBCYGSMB-UHFFFAOYSA-N 0 0 407.426 4.358 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)c1[N+](=O)[O-] ZINC000435718492 861003680 /nfs/dbraw/zinc/00/36/80/861003680.db2.gz XGEYKEOXBJFETQ-UHFFFAOYSA-N 0 0 403.438 4.418 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c1[N+](=O)[O-] ZINC000435757068 861035740 /nfs/dbraw/zinc/03/57/40/861035740.db2.gz XJHCGNBJRZZSIV-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN CC[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC000435815731 861080927 /nfs/dbraw/zinc/08/09/27/861080927.db2.gz AAOGIEUZCQPDIV-CYBMUJFWSA-N 0 0 412.364 4.210 20 5 HIBDRN COc1cccc(C(=O)N[C@H](COCc2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000435817709 861083066 /nfs/dbraw/zinc/08/30/66/861083066.db2.gz PLCIMGUDTPUVMW-HXUWFJFHSA-N 0 0 406.438 4.291 20 5 HIBDRN COc1ccc(-n2c(NC(=O)c3cccc(OC)c3[N+](=O)[O-])nc3ccccc32)cc1 ZINC000435826407 861091442 /nfs/dbraw/zinc/09/14/42/861091442.db2.gz LTLMWMXJXWNEDI-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN COc1cccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000435870938 861132104 /nfs/dbraw/zinc/13/21/04/861132104.db2.gz QGRDVMNBGHDWLQ-INIZCTEOSA-N 0 0 408.414 4.021 20 5 HIBDRN COc1cccc(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1[N+](=O)[O-] ZINC000435912609 861174467 /nfs/dbraw/zinc/17/44/67/861174467.db2.gz YYRMDPCRROTKFQ-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN O=C(NCc1c(F)cc(F)c(F)c1F)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000435918242 861178815 /nfs/dbraw/zinc/17/88/15/861178815.db2.gz QEGBXZOKYGCYMV-UHFFFAOYSA-N 0 0 400.331 4.168 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000437757475 863080062 /nfs/dbraw/zinc/08/00/62/863080062.db2.gz JMYLSEIQVHWBOT-JCNLHEQBSA-N 0 0 407.392 4.402 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C ZINC000437783058 863100491 /nfs/dbraw/zinc/10/04/91/863100491.db2.gz WVAKKAVPRKHEPN-UHFFFAOYSA-N 0 0 403.460 4.338 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000437807183 863130242 /nfs/dbraw/zinc/13/02/42/863130242.db2.gz YYQRPTSBYOEJNE-MAZHCROVSA-N 0 0 405.401 4.421 20 5 HIBDRN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000437812048 863139529 /nfs/dbraw/zinc/13/95/29/863139529.db2.gz VCBKBFGOGPTQEE-UHFFFAOYSA-N 0 0 419.865 4.124 20 5 HIBDRN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000437932336 863308821 /nfs/dbraw/zinc/30/88/21/863308821.db2.gz ZWECASVKNLNYGN-OAHLLOKOSA-N 0 0 406.236 4.345 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000437946093 863319978 /nfs/dbraw/zinc/31/99/78/863319978.db2.gz GPPXRWMRWGVBDR-SFHVURJKSA-N 0 0 424.423 4.307 20 5 HIBDRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438007404 863367567 /nfs/dbraw/zinc/36/75/67/863367567.db2.gz CLNIUJLTHPJLSJ-OAHLLOKOSA-N 0 0 411.458 4.019 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438009118 863368564 /nfs/dbraw/zinc/36/85/64/863368564.db2.gz IGUPNVVSHYEUSB-GCJKJVERSA-N 0 0 409.486 4.437 20 5 HIBDRN O=C(NCC1(c2ccccc2)CCOCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438008203 863369004 /nfs/dbraw/zinc/36/90/04/863369004.db2.gz FXZNVGXJXVXRNO-UHFFFAOYSA-N 0 0 409.486 4.017 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000438013106 863372898 /nfs/dbraw/zinc/37/28/98/863372898.db2.gz OCNPKXOIOLCJLS-INIZCTEOSA-N 0 0 424.501 4.454 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438048796 863413404 /nfs/dbraw/zinc/41/34/04/863413404.db2.gz ITEARTIZMZIDLK-SAABIXHNSA-N 0 0 413.449 4.233 20 5 HIBDRN O=C(C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000438185311 863610795 /nfs/dbraw/zinc/61/07/95/863610795.db2.gz DEDLELMBRLIMES-INIZCTEOSA-N 0 0 406.360 4.491 20 5 HIBDRN CC1(C)Oc2ccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2O1 ZINC000438220537 863653560 /nfs/dbraw/zinc/65/35/60/863653560.db2.gz CDHNNYOGKYLIJZ-UHFFFAOYSA-N 0 0 413.430 4.177 20 5 HIBDRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000438229457 863668960 /nfs/dbraw/zinc/66/89/60/863668960.db2.gz HEEONBQJKHGSJB-UHFFFAOYSA-N 0 0 417.771 4.249 20 5 HIBDRN O=C1[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN1c1cc(Cl)ccc1Cl ZINC000438239202 863687334 /nfs/dbraw/zinc/68/73/34/863687334.db2.gz YUVKCFKOKUQCIJ-ZDUSSCGKSA-N 0 0 419.224 4.472 20 5 HIBDRN CC[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cccc(C(F)(F)F)c1 ZINC000438315448 863794608 /nfs/dbraw/zinc/79/46/08/863794608.db2.gz LPAAZOXQYUBATN-NVXWUHKLSA-N 0 0 422.407 4.215 20 5 HIBDRN COc1cc(C(=O)NCC(C)(C)C(C)C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000438396787 863846405 /nfs/dbraw/zinc/84/64/05/863846405.db2.gz UUEHGFRXTQFWCP-UHFFFAOYSA-N 0 0 407.492 4.051 20 5 HIBDRN O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000438521664 863946171 /nfs/dbraw/zinc/94/61/71/863946171.db2.gz BVCJCRZBMHQNDK-UHFFFAOYSA-N 0 0 413.783 4.264 20 5 HIBDRN Cn1cc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438538510 863964321 /nfs/dbraw/zinc/96/43/21/863964321.db2.gz FQZCTCRYZLTDGF-GXTWGEPZSA-N 0 0 410.396 4.094 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000438618038 864041869 /nfs/dbraw/zinc/04/18/69/864041869.db2.gz IJMSGXMMYZWUDX-INIZCTEOSA-N 0 0 412.412 4.163 20 5 HIBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438635816 864068547 /nfs/dbraw/zinc/06/85/47/864068547.db2.gz VZXRXPIZNHRNIZ-MRXNPFEDSA-N 0 0 423.238 4.021 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cccc1C(F)(F)F ZINC000438651612 864093074 /nfs/dbraw/zinc/09/30/74/864093074.db2.gz VMIXCJJRFKLMTP-UHFFFAOYSA-N 0 0 423.391 4.298 20 5 HIBDRN CC[C@@H](C)Oc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000438652353 864093920 /nfs/dbraw/zinc/09/39/20/864093920.db2.gz CHSDATIBONCOMU-MRXNPFEDSA-N 0 0 413.474 4.148 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000438665331 864118376 /nfs/dbraw/zinc/11/83/76/864118376.db2.gz LTDYIPQYDPBKOT-UHFFFAOYSA-N 0 0 423.391 4.075 20 5 HIBDRN CCCOc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)c1 ZINC000438668602 864126554 /nfs/dbraw/zinc/12/65/54/864126554.db2.gz YMOVDTRHSWQACG-UHFFFAOYSA-N 0 0 413.474 4.068 20 5 HIBDRN CN(Cc1nc(-c2ccc(OCc3cccnc3)cc2)no1)c1ccccc1[N+](=O)[O-] ZINC000438740846 864227786 /nfs/dbraw/zinc/22/77/86/864227786.db2.gz YMMPIBGMIGNPKW-UHFFFAOYSA-N 0 0 417.425 4.255 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000438837089 864329664 /nfs/dbraw/zinc/32/96/64/864329664.db2.gz BSRXDSXAWDUDJT-LJAQVGFWSA-N 0 0 408.479 4.392 20 5 HIBDRN Cc1c(CC(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cccc1[N+](=O)[O-] ZINC000438931164 864409494 /nfs/dbraw/zinc/40/94/94/864409494.db2.gz KYLYYNOSJFEOQP-UHFFFAOYSA-N 0 0 402.863 4.180 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cc(Br)ccc2C)cc1OC ZINC000438934160 864412266 /nfs/dbraw/zinc/41/22/66/864412266.db2.gz SAEUUQQIDOFIRC-UHFFFAOYSA-N 0 0 423.263 4.003 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000438941013 864416278 /nfs/dbraw/zinc/41/62/78/864416278.db2.gz YOQCJERYKUMGFD-CQSZACIVSA-N 0 0 412.877 4.412 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000438949184 864420744 /nfs/dbraw/zinc/42/07/44/864420744.db2.gz PZZCYMCREGJKIJ-UHFFFAOYSA-N 0 0 424.284 4.295 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000438947618 864420877 /nfs/dbraw/zinc/42/08/77/864420877.db2.gz LAAOPAWDNAFDJY-INIZCTEOSA-N 0 0 418.877 4.239 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000438960966 864430057 /nfs/dbraw/zinc/43/00/57/864430057.db2.gz IVWOPVRLOPJZRU-UHFFFAOYSA-N 0 0 418.805 4.150 20 5 HIBDRN CC(C)c1ccc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000438976168 864439670 /nfs/dbraw/zinc/43/96/70/864439670.db2.gz PRNVLGHREQEVHW-UHFFFAOYSA-N 0 0 421.453 4.171 20 5 HIBDRN Cc1cc(C)n(Cc2cccc(-c3noc(Cc4cccc([N+](=O)[O-])c4C)n3)c2)n1 ZINC000439003249 864456796 /nfs/dbraw/zinc/45/67/96/864456796.db2.gz HJVFYHFQRBDIQD-UHFFFAOYSA-N 0 0 403.442 4.406 20 5 HIBDRN COc1ccc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c(OCc2ccccc2)c1 ZINC000439028414 864483362 /nfs/dbraw/zinc/48/33/62/864483362.db2.gz QGINWIYWJLDGFX-UHFFFAOYSA-N 0 0 408.410 4.443 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccccc2Br)CC1 ZINC000439027432 864483868 /nfs/dbraw/zinc/48/38/68/864483868.db2.gz XMZMHAXDWIPICG-UHFFFAOYSA-N 0 0 419.275 4.142 20 5 HIBDRN COc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(OCc2ccccc2)c1 ZINC000439031651 864487115 /nfs/dbraw/zinc/48/71/15/864487115.db2.gz CARYCGHZEPCWNF-UHFFFAOYSA-N 0 0 422.393 4.163 20 5 HIBDRN CC(C)c1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000439105987 864542970 /nfs/dbraw/zinc/54/29/70/864542970.db2.gz KDWXTHBDZFQINA-UHFFFAOYSA-N 0 0 410.257 4.394 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000439104869 864543032 /nfs/dbraw/zinc/54/30/32/864543032.db2.gz BZUNLCQWHBGZSM-UHFFFAOYSA-N 0 0 419.840 4.187 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000439110714 864547429 /nfs/dbraw/zinc/54/74/29/864547429.db2.gz SZEDKJUKYNLMHR-MRXNPFEDSA-N 0 0 415.837 4.129 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000439112069 864548992 /nfs/dbraw/zinc/54/89/92/864548992.db2.gz IRPFRAWBVNXKRI-UHFFFAOYSA-N 0 0 419.503 4.047 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CCNC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000439111064 864549033 /nfs/dbraw/zinc/54/90/33/864549033.db2.gz KYQLQQBRLABXRE-UHFFFAOYSA-N 0 0 412.877 4.332 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000439112342 864549766 /nfs/dbraw/zinc/54/97/66/864549766.db2.gz OQBLBJXVURBYPL-GFCCVEGCSA-N 0 0 416.865 4.332 20 5 HIBDRN COc1cccc(Cc2nnc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)s2)c1 ZINC000439113483 864550491 /nfs/dbraw/zinc/55/04/91/864550491.db2.gz RBFUJNSFEWHKTH-UHFFFAOYSA-N 0 0 412.471 4.421 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439133397 864566886 /nfs/dbraw/zinc/56/68/86/864566886.db2.gz RUFDQECTTWFSHI-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000439140257 864572489 /nfs/dbraw/zinc/57/24/89/864572489.db2.gz HMXBFCXYEVMOCX-OKILXGFUSA-N 0 0 418.519 4.036 20 5 HIBDRN COCCN(C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000439142729 864575593 /nfs/dbraw/zinc/57/55/93/864575593.db2.gz RXDDKQFZHHXAHR-UHFFFAOYSA-N 0 0 405.863 4.460 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)cc2)cc1 ZINC000439146941 864579112 /nfs/dbraw/zinc/57/91/12/864579112.db2.gz OUSPFLKVNCZHOS-UHFFFAOYSA-N 0 0 419.437 4.345 20 5 HIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(OCc2ccccn2)cc1 ZINC000439151095 864583400 /nfs/dbraw/zinc/58/34/00/864583400.db2.gz JASOZDHYPLZPTN-UHFFFAOYSA-N 0 0 415.409 4.211 20 5 HIBDRN Cc1c(CC(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)cccc1[N+](=O)[O-] ZINC000439169798 864598395 /nfs/dbraw/zinc/59/83/95/864598395.db2.gz OFTQZQCPDWIJSA-NSHDSACASA-N 0 0 409.255 4.095 20 5 HIBDRN Cc1cc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439177695 864606242 /nfs/dbraw/zinc/60/62/42/864606242.db2.gz MDSACYCDDGIAHN-REWPJTCUSA-N 0 0 402.454 4.322 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)c1[N+](=O)[O-] ZINC000439198618 864624433 /nfs/dbraw/zinc/62/44/33/864624433.db2.gz CUUDJKLFOYGFPW-UHFFFAOYSA-N 0 0 421.335 4.339 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000439224052 864640626 /nfs/dbraw/zinc/64/06/26/864640626.db2.gz OGTNSILRONQCHL-UHFFFAOYSA-N 0 0 404.394 4.269 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000439238297 864655286 /nfs/dbraw/zinc/65/52/86/864655286.db2.gz PCPHWIKVBFQWRQ-UHFFFAOYSA-N 0 0 404.394 4.269 20 5 HIBDRN CCC(=O)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000467936409 881808029 /nfs/dbraw/zinc/80/80/29/881808029.db2.gz AQHRATDGCXYSDO-RVDMUPIBSA-N 0 0 409.467 4.231 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000467935331 881808198 /nfs/dbraw/zinc/80/81/98/881808198.db2.gz MAPXUWFBUHUBNE-UHFFFAOYSA-N 0 0 400.822 4.486 20 5 HIBDRN CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000439501779 864855677 /nfs/dbraw/zinc/85/56/77/864855677.db2.gz UBKJPXNBIWEYHD-SPLOXXLWSA-N 0 0 419.909 4.387 20 5 HIBDRN COC(=O)c1ccc(COc2ccc(/C=C\c3ccc([N+](=O)[O-])cn3)cc2OC)o1 ZINC000439531373 864866781 /nfs/dbraw/zinc/86/67/81/864866781.db2.gz XGNZMMPYCRMVMY-HYXAFXHYSA-N 0 0 410.382 4.127 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)nn1C ZINC000439605798 864927887 /nfs/dbraw/zinc/92/78/87/864927887.db2.gz BUFBTBSLCHKLAU-UHFFFAOYSA-N 0 0 402.863 4.694 20 5 HIBDRN CC[C@@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])Oc1ccccc1C(F)(F)F ZINC000439650937 864978016 /nfs/dbraw/zinc/97/80/16/864978016.db2.gz RDNOBVZCLBSXIK-LBPRGKRZSA-N 0 0 412.364 4.210 20 5 HIBDRN O=C(CCc1cc(Cl)ccc1Br)NCCc1ccccc1[N+](=O)[O-] ZINC000467981946 881832902 /nfs/dbraw/zinc/83/29/02/881832902.db2.gz UEUJJGFDCJDGBY-UHFFFAOYSA-N 0 0 411.683 4.302 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCC(C)(C)C[C@H](C)O)cc2[N+](=O)[O-])n1 ZINC000439726047 865058293 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ZINC000441744752 866831983 /nfs/dbraw/zinc/83/19/83/866831983.db2.gz YXDVEJBRWQEPOE-UHFFFAOYSA-N 0 0 407.348 4.085 20 5 HIBDRN Cc1c(NC(=O)N(C)Cc2cnc(C(C)C)nc2)cc(Br)cc1[N+](=O)[O-] ZINC000441758612 866838977 /nfs/dbraw/zinc/83/89/77/866838977.db2.gz FKTIOGRAHCYFHB-UHFFFAOYSA-N 0 0 422.283 4.243 20 5 HIBDRN CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000441839936 866898534 /nfs/dbraw/zinc/89/85/34/866898534.db2.gz UUEYFDXCIPUKSX-HXUWFJFHSA-N 0 0 415.465 4.097 20 5 HIBDRN O=C(NCc1cccc(COCC(F)(F)F)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000441892084 866957023 /nfs/dbraw/zinc/95/70/23/866957023.db2.gz CFCHOYPYZCHDIP-UHFFFAOYSA-N 0 0 402.756 4.257 20 5 HIBDRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000468163754 882035000 /nfs/dbraw/zinc/03/50/00/882035000.db2.gz IIOHAWRQKVQYML-MRXNPFEDSA-N 0 0 420.473 4.115 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)cc1[N+](=O)[O-] ZINC000441917579 866982509 /nfs/dbraw/zinc/98/25/09/866982509.db2.gz 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CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000442525954 867500195 /nfs/dbraw/zinc/50/01/95/867500195.db2.gz LWFJBLZMHLVEAN-BEFAXECRSA-N 0 0 415.877 4.263 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000442558925 867530062 /nfs/dbraw/zinc/53/00/62/867530062.db2.gz RIWYZKULWFWKQM-CQSZACIVSA-N 0 0 423.400 4.342 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(Br)c(F)cc1F ZINC000468210943 882092541 /nfs/dbraw/zinc/09/25/41/882092541.db2.gz ICHCFVZDFVMMDE-UHFFFAOYSA-N 0 0 405.582 4.470 20 5 HIBDRN O=C(NCc1nc(-c2ccccc2F)cs1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000468212641 882094812 /nfs/dbraw/zinc/09/48/12/882094812.db2.gz XJVFHQQZYNYFAJ-UHFFFAOYSA-N 0 0 412.446 4.362 20 5 HIBDRN CC(C)c1nnc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])[nH]1 ZINC000442636373 867578884 /nfs/dbraw/zinc/57/88/84/867578884.db2.gz IAKNPMPUVDZICR-ZDUSSCGKSA-N 0 0 411.487 4.479 20 5 HIBDRN O=C(NC[C@H](O)Cc1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442691149 867624676 /nfs/dbraw/zinc/62/46/76/867624676.db2.gz XHKKPYUNBVHTGJ-QGZVFWFLSA-N 0 0 408.479 4.079 20 5 HIBDRN O=C(NCCCOC[C@@H]1CCCO1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442712843 867642244 /nfs/dbraw/zinc/64/22/44/867642244.db2.gz KDWKDOKZYUVAMS-INIZCTEOSA-N 0 0 416.499 4.062 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000442924732 867743416 /nfs/dbraw/zinc/74/34/16/867743416.db2.gz PQANVRLTBCGMDA-CJMONDIMSA-N 0 0 402.422 4.158 20 5 HIBDRN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1ccc([N+](=O)[O-])cc1Br ZINC000442929479 867745510 /nfs/dbraw/zinc/74/55/10/867745510.db2.gz YIVMYCVYZYASIE-UHFFFAOYSA-N 0 0 421.125 4.214 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000442934851 867750201 /nfs/dbraw/zinc/75/02/01/867750201.db2.gz QMZCVVAEXNXKFF-WOJBJXKFSA-N 0 0 416.449 4.333 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC000442943575 867755358 /nfs/dbraw/zinc/75/53/58/867755358.db2.gz MOUUALFLCYTBPS-RTBURBONSA-N 0 0 402.472 4.251 20 5 HIBDRN Cc1cccc(Cl)c1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000443115302 867825551 /nfs/dbraw/zinc/82/55/51/867825551.db2.gz MSDVWAONHVSOHB-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1ccc(-c2cccc(CNC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2)cc1 ZINC000468232920 882125851 /nfs/dbraw/zinc/12/58/51/882125851.db2.gz CKZBGNMZTORWHC-UHFFFAOYSA-N 0 0 413.437 4.081 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1cc2ccccc2s1 ZINC000443390231 867949982 /nfs/dbraw/zinc/94/99/82/867949982.db2.gz TVSCHIVYBVMMIQ-LBPRGKRZSA-N 0 0 402.497 4.385 20 5 HIBDRN Cc1sc(NC(=O)c2cc3ccccc3c(=O)o2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000443418728 868002779 /nfs/dbraw/zinc/00/27/79/868002779.db2.gz OJEDHSLZXVPGLK-UHFFFAOYSA-N 0 0 407.407 4.385 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CNc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC000443474007 868061254 /nfs/dbraw/zinc/06/12/54/868061254.db2.gz HGGLOTQPDSWBBR-UHFFFAOYSA-N 0 0 410.821 4.329 20 5 HIBDRN CCN(Cc1c[nH]c2ccccc12)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000443490990 868068133 /nfs/dbraw/zinc/06/81/33/868068133.db2.gz MFFGZCWEXWPXJN-UHFFFAOYSA-N 0 0 403.442 4.067 20 5 HIBDRN CC[C@@H](c1ccc(Br)cc1)N1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000443509203 868075236 /nfs/dbraw/zinc/07/52/36/868075236.db2.gz KSQSTTALHMEOSC-AWEZNQCLSA-N 0 0 411.325 4.087 20 5 HIBDRN CCN(CC)C(=O)CS[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000443555373 868111096 /nfs/dbraw/zinc/11/10/96/868111096.db2.gz XCILFVXJVBWQKE-HXUWFJFHSA-N 0 0 415.515 4.185 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000468249338 882156167 /nfs/dbraw/zinc/15/61/67/882156167.db2.gz FLHRVRCLKKOBJM-UHFFFAOYSA-N 0 0 404.348 4.179 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443638463 868222824 /nfs/dbraw/zinc/22/28/24/868222824.db2.gz INDBJJITDKOWCT-CQSZACIVSA-N 0 0 412.421 4.002 20 5 HIBDRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443648558 868242138 /nfs/dbraw/zinc/24/21/38/868242138.db2.gz YYXDTGWLZJOVOC-ZIAGYGMSSA-N 0 0 412.421 4.082 20 5 HIBDRN Cc1nn(CCC(=O)NCc2ccc(C)cc2O[C@H](C)CC(C)C)c(C)c1[N+](=O)[O-] ZINC000468260305 882172221 /nfs/dbraw/zinc/17/22/21/882172221.db2.gz KMNBGCJWPMNHQX-MRXNPFEDSA-N 0 0 416.522 4.236 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c1 ZINC000443724116 868305312 /nfs/dbraw/zinc/30/53/12/868305312.db2.gz ZRJVYVIVFLIADY-UHFFFAOYSA-N 0 0 417.874 4.180 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c1 ZINC000443762863 868327256 /nfs/dbraw/zinc/32/72/56/868327256.db2.gz XCIXPPVMBUOATB-QFIPXVFZSA-N 0 0 408.479 4.072 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000443853573 868383380 /nfs/dbraw/zinc/38/33/80/868383380.db2.gz SJNWDDRJCSNYJV-CQSZACIVSA-N 0 0 417.259 4.235 20 5 HIBDRN O=C(C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000443853563 868383659 /nfs/dbraw/zinc/38/36/59/868383659.db2.gz SJNWDDRJCSNYJV-AWEZNQCLSA-N 0 0 417.259 4.235 20 5 HIBDRN Cc1nc(C2(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCCCCC2)no1 ZINC000443853729 868384258 /nfs/dbraw/zinc/38/42/58/868384258.db2.gz BBEMLTLCRUJLPS-UHFFFAOYSA-N 0 0 412.368 4.285 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000443859182 868390864 /nfs/dbraw/zinc/39/08/64/868390864.db2.gz LXMLOBHJHCSWCL-CQSZACIVSA-N 0 0 410.348 4.266 20 5 HIBDRN CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443860360 868392502 /nfs/dbraw/zinc/39/25/02/868392502.db2.gz ZITMLYLHDRWHNB-UHFFFAOYSA-N 0 0 402.350 4.413 20 5 HIBDRN Cc1c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cccc1C(=O)N1CCCC1 ZINC000443861511 868394627 /nfs/dbraw/zinc/39/46/27/868394627.db2.gz RRVSVCIAKBDTHZ-UHFFFAOYSA-N 0 0 421.375 4.410 20 5 HIBDRN C[C@H](O)C[C@@H]1CCCN1[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443875023 868406285 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408.252 4.175 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)cc1OC ZINC000443956066 868490948 /nfs/dbraw/zinc/49/09/48/868490948.db2.gz BYYUOMMDNLCGNQ-LLVKDONJSA-N 0 0 406.822 4.083 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000443965016 868497913 /nfs/dbraw/zinc/49/79/13/868497913.db2.gz WISBSBKYTHUHTA-UHFFFAOYSA-N 0 0 401.438 4.221 20 5 HIBDRN Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000443975300 868502955 /nfs/dbraw/zinc/50/29/55/868502955.db2.gz ZNQZQRBKTPALBM-INIZCTEOSA-N 0 0 416.421 4.059 20 5 HIBDRN Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000443991046 868514350 /nfs/dbraw/zinc/51/43/50/868514350.db2.gz VDVXIQKBAVVTKM-CQSZACIVSA-N 0 0 406.357 4.014 20 5 HIBDRN Cc1cccc2nc(C3CCN(c4nc(-c5ccc([N+](=O)[O-])cc5)no4)CC3)oc21 ZINC000443992355 868514433 /nfs/dbraw/zinc/51/44/33/868514433.db2.gz WTLQAOOGMMMWAI-UHFFFAOYSA-N 0 0 405.414 4.478 20 5 HIBDRN O=C(NC[C@@H]1CCOc2ccccc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444005335 868528313 /nfs/dbraw/zinc/52/83/13/868528313.db2.gz WHILILUBIDRIIP-ZDUSSCGKSA-N 0 0 420.415 4.256 20 5 HIBDRN O=C(NCCc1cccc(F)c1F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444007345 868530042 /nfs/dbraw/zinc/53/00/42/868530042.db2.gz FOLMBSJBRFJIQL-UHFFFAOYSA-N 0 0 414.358 4.210 20 5 HIBDRN COc1cccc(C[C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000444014396 868538540 /nfs/dbraw/zinc/53/85/40/868538540.db2.gz ZMLHQBZTWNNGIP-CYBMUJFWSA-N 0 0 422.431 4.329 20 5 HIBDRN Cn1cnc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)ccc21 ZINC000444014959 868538663 /nfs/dbraw/zinc/53/86/63/868538663.db2.gz YZNNYQFQKHTCHD-UHFFFAOYSA-N 0 0 401.426 4.346 20 5 HIBDRN CS[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444019221 868544984 /nfs/dbraw/zinc/54/49/84/868544984.db2.gz HUIDMJGRUXBDHV-ZIAGYGMSSA-N 0 0 402.466 4.364 20 5 HIBDRN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Oc1ccccc1 ZINC000444025175 868554193 /nfs/dbraw/zinc/55/41/93/868554193.db2.gz ZQGSXSIWOFQETG-CYBMUJFWSA-N 0 0 408.404 4.157 20 5 HIBDRN O=C(NCC1Cc2ccccc2C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444032157 868566086 /nfs/dbraw/zinc/56/60/86/868566086.db2.gz PGSGXHQBXVQUDA-UHFFFAOYSA-N 0 0 404.416 4.104 20 5 HIBDRN CCO[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1(C)C ZINC000444080836 868607089 /nfs/dbraw/zinc/60/70/89/868607089.db2.gz JDYGSKWATLRLQL-ROUUACIJSA-N 0 0 414.452 4.235 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccc1C ZINC000444100110 868616977 /nfs/dbraw/zinc/61/69/77/868616977.db2.gz FGFZKZRRFOBAFJ-UHFFFAOYSA-N 0 0 422.387 4.307 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1C ZINC000444109219 868623933 /nfs/dbraw/zinc/62/39/33/868623933.db2.gz ZPTNBAXWPQNFBJ-UHFFFAOYSA-N 0 0 422.387 4.307 20 5 HIBDRN CC1(C)CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC2(CCCC2)O1 ZINC000468288996 882213766 /nfs/dbraw/zinc/21/37/66/882213766.db2.gz WXRMVRFIXLPGGY-UHFFFAOYSA-N 0 0 401.488 4.282 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(F)cc(F)c1Br ZINC000468291644 882214477 /nfs/dbraw/zinc/21/44/77/882214477.db2.gz XNWOHDVUAVUFHZ-UHFFFAOYSA-N 0 0 405.582 4.470 20 5 HIBDRN C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc([S@](C)=O)cc1 ZINC000444236321 868684623 /nfs/dbraw/zinc/68/46/23/868684623.db2.gz HGFGAXYQOWUWBO-FZPQWHJUSA-N 0 0 422.481 4.049 20 5 HIBDRN CCC1(CC)[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@@H]1OC ZINC000444237896 868687479 /nfs/dbraw/zinc/68/74/79/868687479.db2.gz FIAAGJVXFJZSFW-MOPGFXCFSA-N 0 0 414.452 4.283 20 5 HIBDRN CS[C@H]1CCCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444249638 868696928 /nfs/dbraw/zinc/69/69/28/868696928.db2.gz IWGQJBKHCIALAS-ZDUSSCGKSA-N 0 0 402.466 4.317 20 5 HIBDRN CC[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Oc1cccc(F)c1 ZINC000444252210 868699788 /nfs/dbraw/zinc/69/97/88/868699788.db2.gz WSSRUAVOVVGXEJ-QGZVFWFLSA-N 0 0 404.441 4.408 20 5 HIBDRN O=C(c1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)c1cccc(O)c1 ZINC000444254244 868700345 /nfs/dbraw/zinc/70/03/45/868700345.db2.gz RVDRJLBDQCQONL-UHFFFAOYSA-N 0 0 416.433 4.336 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)c1[N+](=O)[O-] ZINC000444260843 868704237 /nfs/dbraw/zinc/70/42/37/868704237.db2.gz PGEHAFQVXZZSLW-UHFFFAOYSA-N 0 0 422.420 4.134 20 5 HIBDRN CCc1n[nH]c(C(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1[N+](=O)[O-] ZINC000444263897 868706218 /nfs/dbraw/zinc/70/62/18/868706218.db2.gz YAFILLWAKDNCQC-CYBMUJFWSA-N 0 0 413.503 4.454 20 5 HIBDRN CCc1n[nH]c(C(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3o2)c1[N+](=O)[O-] ZINC000444264346 868706523 /nfs/dbraw/zinc/70/65/23/868706523.db2.gz YZRDHOKWWHYUDT-UHFFFAOYSA-N 0 0 408.414 4.371 20 5 HIBDRN Cc1cc([C@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CCO2)ccc1F ZINC000444285035 868714081 /nfs/dbraw/zinc/71/40/81/868714081.db2.gz GCIFHIKRDKXPCI-HSZRJFAPSA-N 0 0 416.452 4.343 20 5 HIBDRN CC(C)C[C@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCO1 ZINC000444286686 868716285 /nfs/dbraw/zinc/71/62/85/868716285.db2.gz KTBPMZFXHOTSOD-CABCVRRESA-N 0 0 414.452 4.283 20 5 HIBDRN Cc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)nn1-c1cc(C)cc(C)c1 ZINC000444287889 868717646 /nfs/dbraw/zinc/71/76/46/868717646.db2.gz KEWMAZWOLIJPQI-UHFFFAOYSA-N 0 0 422.488 5.045 20 5 HIBDRN COC[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(F)c(F)c1 ZINC000444290837 868720533 /nfs/dbraw/zinc/72/05/33/868720533.db2.gz RZIZPZCRNYIDFZ-NRFANRHFSA-N 0 0 408.404 4.077 20 5 HIBDRN C[C@@H](CN(C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1nccs1 ZINC000444292116 868721965 /nfs/dbraw/zinc/72/19/65/868721965.db2.gz KDIBSMIVGDWOLK-NSHDSACASA-N 0 0 413.449 4.292 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000444302519 868734796 /nfs/dbraw/zinc/73/47/96/868734796.db2.gz JMVWQATUXVPCAT-MRXNPFEDSA-N 0 0 402.813 4.192 20 5 HIBDRN COCC[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccco1 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COc1cc(C(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1OC ZINC000468309827 882235665 /nfs/dbraw/zinc/23/56/65/882235665.db2.gz WQZFRJAZDYKXPB-NSHDSACASA-N 0 0 412.364 4.164 20 5 HIBDRN CC[C@@H](CO)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000444512637 868863980 /nfs/dbraw/zinc/86/39/80/868863980.db2.gz JVEVEGLCNYTUOO-QZFKAFNDSA-N 0 0 411.483 4.022 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000444514000 868865044 /nfs/dbraw/zinc/86/50/44/868865044.db2.gz GYWJZIVNWADBRD-UHFFFAOYSA-N 0 0 400.822 4.473 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(OC(C)C)cc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000444514882 868865948 /nfs/dbraw/zinc/86/59/48/868865948.db2.gz IXHMFSAADUEQMV-UHFFFAOYSA-N 0 0 415.837 4.177 20 5 HIBDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000444533332 868871072 /nfs/dbraw/zinc/87/10/72/868871072.db2.gz JCIVWFOSUYXMDI-UHFFFAOYSA-N 0 0 417.437 4.000 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000444532325 868871183 /nfs/dbraw/zinc/87/11/83/868871183.db2.gz SMXFPODKJKEYDK-UHFFFAOYSA-N 0 0 405.279 4.092 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000444555222 868880176 /nfs/dbraw/zinc/88/01/76/868880176.db2.gz SOYFMENRTQUOIO-MOPGFXCFSA-N 0 0 413.518 4.339 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000444555227 868880582 /nfs/dbraw/zinc/88/05/82/868880582.db2.gz SOYFMENRTQUOIO-RTBURBONSA-N 0 0 413.518 4.339 20 5 HIBDRN CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444619430 868910662 /nfs/dbraw/zinc/91/06/62/868910662.db2.gz XSTKHBPIQQCDEZ-XMMPIXPASA-N 0 0 406.482 4.019 20 5 HIBDRN Cc1ccc(C(=O)CC(C)(C)CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444631790 868919803 /nfs/dbraw/zinc/91/98/03/868919803.db2.gz MUFILQZXGCVBDM-UHFFFAOYSA-N 0 0 408.458 4.085 20 5 HIBDRN O=C(CC(c1ccccc1)c1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444630717 868919877 /nfs/dbraw/zinc/91/98/77/868919877.db2.gz IBTUHHAVUFOJNJ-UHFFFAOYSA-N 0 0 400.438 4.310 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000444635859 868923632 /nfs/dbraw/zinc/92/36/32/868923632.db2.gz MALXGKLTSBVYRN-UHFFFAOYSA-N 0 0 407.817 4.117 20 5 HIBDRN C[C@@H](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Br)cc1 ZINC000444640279 868925753 /nfs/dbraw/zinc/92/57/53/868925753.db2.gz RDLRPGDQAHCYKP-NSHDSACASA-N 0 0 417.263 4.044 20 5 HIBDRN CSc1cc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(Cl)cc1Cl ZINC000444644285 868926499 /nfs/dbraw/zinc/92/64/99/868926499.db2.gz MXFIWRALGWHWRH-UHFFFAOYSA-N 0 0 411.270 4.430 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc2c(s1)-c1ccccc1OC2 ZINC000444643559 868927662 /nfs/dbraw/zinc/92/76/62/868927662.db2.gz ZUJDGYQIRXQSKR-UHFFFAOYSA-N 0 0 406.423 4.022 20 5 HIBDRN Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000444657246 868935456 /nfs/dbraw/zinc/93/54/56/868935456.db2.gz BRFDGKOBKJCLFU-QGZVFWFLSA-N 0 0 405.458 4.092 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)nc2c1 ZINC000444658698 868937624 /nfs/dbraw/zinc/93/76/24/868937624.db2.gz ODYGZQGVRSAIKI-CQSZACIVSA-N 0 0 422.420 4.040 20 5 HIBDRN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000444664602 868944373 /nfs/dbraw/zinc/94/43/73/868944373.db2.gz MSZCIRWKUSYZMX-NEPJUHHUSA-N 0 0 403.389 4.017 20 5 HIBDRN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000444683352 868956062 /nfs/dbraw/zinc/95/60/62/868956062.db2.gz GCRWDFAOTMKZQK-INIZCTEOSA-N 0 0 417.263 4.189 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444687603 868958826 /nfs/dbraw/zinc/95/88/26/868958826.db2.gz BCAYSAIYAHZAPM-JTQLQIEISA-N 0 0 405.252 4.093 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000444720025 868974674 /nfs/dbraw/zinc/97/46/74/868974674.db2.gz BNILPBNDLAQKAX-UHFFFAOYSA-N 0 0 405.410 4.355 20 5 HIBDRN 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O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 ZINC000444812817 869024930 /nfs/dbraw/zinc/02/49/30/869024930.db2.gz OSZDGVNIXDPBNC-LRDDRELGSA-N 0 0 422.762 4.020 20 5 HIBDRN Cc1cccc(NC(=O)CN(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1C ZINC000444828247 869036380 /nfs/dbraw/zinc/03/63/80/869036380.db2.gz NHACTQHTAPMCQW-UHFFFAOYSA-N 0 0 413.477 4.009 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1OC ZINC000444852862 869055151 /nfs/dbraw/zinc/05/51/51/869055151.db2.gz DIUZJHMKRZFDNM-HNNXBMFYSA-N 0 0 416.477 4.498 20 5 HIBDRN O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444858388 869060603 /nfs/dbraw/zinc/06/06/03/869060603.db2.gz MMYPSQSOODICSA-UHFFFAOYSA-N 0 0 415.840 4.372 20 5 HIBDRN CN(c1ccccc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000444898298 869086212 /nfs/dbraw/zinc/08/62/12/869086212.db2.gz HBBMIOAWNIUYNK-UHFFFAOYSA-N 0 0 408.462 4.172 20 5 HIBDRN O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444955798 869127559 /nfs/dbraw/zinc/12/75/59/869127559.db2.gz AAEVXCAHIIAZAP-UHFFFAOYSA-N 0 0 404.304 4.029 20 5 HIBDRN O=C(NCc1csc(-c2ccco2)n1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444966819 869132314 /nfs/dbraw/zinc/13/23/14/869132314.db2.gz PAYMKWAXXOXIFW-UHFFFAOYSA-N 0 0 401.447 4.328 20 5 HIBDRN C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nc(-c2ccccc2)cs1 ZINC000445081385 869205861 /nfs/dbraw/zinc/20/58/61/869205861.db2.gz IKGPKEMFOGPGPG-GFCCVEGCSA-N 0 0 422.470 4.155 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445141206 869239095 /nfs/dbraw/zinc/23/90/95/869239095.db2.gz VFZDQEZCYMITFG-MRXNPFEDSA-N 0 0 415.468 4.219 20 5 HIBDRN C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1cnn(Cc2ccccc2)c1 ZINC000445144064 869241586 /nfs/dbraw/zinc/24/15/86/869241586.db2.gz QZKAZKVQTLWVOU-QGZVFWFLSA-N 0 0 422.488 4.417 20 5 HIBDRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000445164472 869251387 /nfs/dbraw/zinc/25/13/87/869251387.db2.gz WWPXDWIZMPKHLF-HNNXBMFYSA-N 0 0 414.461 4.285 20 5 HIBDRN C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000445169362 869256541 /nfs/dbraw/zinc/25/65/41/869256541.db2.gz XNKQLLBTPJJVLE-RYUDHWBXSA-N 0 0 405.501 4.051 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000445175370 869259928 /nfs/dbraw/zinc/25/99/28/869259928.db2.gz CDFJDWVKGBPBHN-HNNXBMFYSA-N 0 0 413.477 4.462 20 5 HIBDRN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445175962 869261100 /nfs/dbraw/zinc/26/11/00/869261100.db2.gz UOTAYYPOFWFZRS-MRXNPFEDSA-N 0 0 415.468 4.077 20 5 HIBDRN CN(Cc1ncon1)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000468345429 882280812 /nfs/dbraw/zinc/28/08/12/882280812.db2.gz FRZPNBNLPIZQEW-UHFFFAOYSA-N 0 0 404.835 4.055 20 5 HIBDRN CCc1cccc2c1OCC[C@@H]2NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000445192497 869268979 /nfs/dbraw/zinc/26/89/79/869268979.db2.gz MXSQZWMUUHRUGR-NSHDSACASA-N 0 0 411.277 4.235 20 5 HIBDRN CC(=O)Nc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1Cl ZINC000445195803 869270067 /nfs/dbraw/zinc/27/00/67/869270067.db2.gz PYBXCOODAIDUCF-UHFFFAOYSA-N 0 0 418.656 4.283 20 5 HIBDRN Cc1csc(-c2ccc(NC(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)n1 ZINC000445241919 869297405 /nfs/dbraw/zinc/29/74/05/869297405.db2.gz JJRMINIRXNIHOR-UHFFFAOYSA-N 0 0 408.443 4.225 20 5 HIBDRN Cc1ccc(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OCC(F)(F)F)c1 ZINC000445242028 869297442 /nfs/dbraw/zinc/29/74/42/869297442.db2.gz RZAZVSCLLQLRIG-UHFFFAOYSA-N 0 0 423.351 4.042 20 5 HIBDRN COc1cc(OC)c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000445254329 869308678 /nfs/dbraw/zinc/30/86/78/869308678.db2.gz YYBHSECQHPCXAB-UHFFFAOYSA-N 0 0 421.656 4.342 20 5 HIBDRN CC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000445258616 869311131 /nfs/dbraw/zinc/31/11/31/869311131.db2.gz IMZXFGYFHYLBOZ-UHFFFAOYSA-N 0 0 413.477 4.462 20 5 HIBDRN C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ncon1 ZINC000468348992 882286492 /nfs/dbraw/zinc/28/64/92/882286492.db2.gz YQHGDMMQKFYFKX-JTQLQIEISA-N 0 0 404.835 4.273 20 5 HIBDRN CC[C@@H](C)c1ccc(NC(=O)Cc2noc(CNc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000445275698 869322254 /nfs/dbraw/zinc/32/22/54/869322254.db2.gz VXTCXCDZUKVTIO-CQSZACIVSA-N 0 0 409.446 4.285 20 5 HIBDRN Cc1cccc(NC(=O)Cc2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)c1 ZINC000445313426 869367170 /nfs/dbraw/zinc/36/71/70/869367170.db2.gz AHYMLTRFWCDBPH-UHFFFAOYSA-N 0 0 424.460 4.076 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000468354424 882292863 /nfs/dbraw/zinc/29/28/63/882292863.db2.gz YTWJHZAQBZGDIB-NEPJUHHUSA-N 0 0 422.279 4.487 20 5 HIBDRN CCOc1ccc(-c2nc(CC(=O)Nc3c(C)cc(C)cc3C)no2)cc1[N+](=O)[O-] ZINC000445343311 869406721 /nfs/dbraw/zinc/40/67/21/869406721.db2.gz QBVQAHSXGOTPHN-UHFFFAOYSA-N 0 0 410.430 4.150 20 5 HIBDRN Cc1cc(C)c(NC(=O)Cc2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)c(C)c1 ZINC000445343948 869408486 /nfs/dbraw/zinc/40/84/86/869408486.db2.gz 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Cc1cc(-c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)ccc1[N+](=O)[O-] ZINC000445387214 869472277 /nfs/dbraw/zinc/47/22/77/869472277.db2.gz WQBJSIDGTXTOPH-UHFFFAOYSA-N 0 0 407.213 4.441 20 5 HIBDRN CCOc1cc(-c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc(Cl)c1O ZINC000445404123 869488185 /nfs/dbraw/zinc/48/81/85/869488185.db2.gz BLSLICJSQRMAOD-UHFFFAOYSA-N 0 0 414.805 4.406 20 5 HIBDRN CCCNC(=O)Cc1noc(-c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000445412704 869495900 /nfs/dbraw/zinc/49/59/00/869495900.db2.gz OTVAWYCZSXFMHR-UHFFFAOYSA-N 0 0 416.821 4.159 20 5 HIBDRN CCCS(=O)(=O)Cc1noc(/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000445455524 869533530 /nfs/dbraw/zinc/53/35/30/869533530.db2.gz PWJPFYIIJFFVKJ-CSKARUKUSA-N 0 0 419.484 4.202 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccc(Cl)cc3Cl)no2)ccc1-n1cncn1 ZINC000445455437 869533686 /nfs/dbraw/zinc/53/36/86/869533686.db2.gz KHKUFBHXBDUCTP-UHFFFAOYSA-N 0 0 403.185 4.199 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000445475935 869548998 /nfs/dbraw/zinc/54/89/98/869548998.db2.gz WQIOHDSTTRMATJ-ZETCQYMHSA-N 0 0 401.370 4.234 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CSc3nncn3-c3cccc(Cl)c3)n2)s1 ZINC000445481531 869553247 /nfs/dbraw/zinc/55/32/47/869553247.db2.gz LMTFGDHWBFWAAO-UHFFFAOYSA-N 0 0 420.863 4.233 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1OCC ZINC000445492396 869561197 /nfs/dbraw/zinc/56/11/97/869561197.db2.gz RCOLXYQJSHXCQF-HNNXBMFYSA-N 0 0 413.474 4.221 20 5 HIBDRN C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000445495500 869563336 /nfs/dbraw/zinc/56/33/36/869563336.db2.gz SPTQUEDZVGYZEE-GFCCVEGCSA-N 0 0 409.364 4.322 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(Cc3nccc4ccccc43)no2)ccc1N1CCCC1 ZINC000445508486 869572104 /nfs/dbraw/zinc/57/21/04/869572104.db2.gz FUGXMVRPACOENB-UHFFFAOYSA-N 0 0 401.426 4.384 20 5 HIBDRN CCOc1ccc(N(CC)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000445521173 869581787 /nfs/dbraw/zinc/58/17/87/869581787.db2.gz VSFZLKIOWKJRLB-UHFFFAOYSA-N 0 0 407.264 4.352 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000445528381 869585479 /nfs/dbraw/zinc/58/54/79/869585479.db2.gz NMAYTKCMYASOHQ-UHFFFAOYSA-N 0 0 423.448 4.290 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(C2CCSCC2)no1 ZINC000445551100 869608126 /nfs/dbraw/zinc/60/81/26/869608126.db2.gz SLPOPDGYRCYVLN-UHFFFAOYSA-N 0 0 402.398 4.262 20 5 HIBDRN Cn1cnnc1Sc1ccc(-c2nc(-c3ccc(Cl)s3)no2)cc1[N+](=O)[O-] ZINC000445560616 869617933 /nfs/dbraw/zinc/61/79/33/869617933.db2.gz UWNBPSJSNOXTHY-UHFFFAOYSA-N 0 0 420.863 4.306 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(OC)c(-c4ccccn4)c3)n2)c1 ZINC000445572070 869632360 /nfs/dbraw/zinc/63/23/60/869632360.db2.gz CMRXITHZWOUQST-UHFFFAOYSA-N 0 0 418.409 4.315 20 5 HIBDRN CCOc1ccc(/C=C/c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)cc1OC ZINC000445575365 869634931 /nfs/dbraw/zinc/63/49/31/869634931.db2.gz DGMURNAVMMYTFF-UXBLZVDNSA-N 0 0 411.414 4.155 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C\c3ccc(OC(F)F)cc3)n2)c1 ZINC000445576105 869636621 /nfs/dbraw/zinc/63/66/21/869636621.db2.gz VNAXMMLTELZBJO-WTKPLQERSA-N 0 0 403.341 4.349 20 5 HIBDRN Cc1nc(-c2cccc(Cl)c2)sc1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000445578162 869637926 /nfs/dbraw/zinc/63/79/26/869637926.db2.gz CXNBBBOHWGDHNB-UHFFFAOYSA-N 0 0 402.823 4.131 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(/C=C\c2cccc(OCc3ccccc3)c2)n1 ZINC000445578048 869638528 /nfs/dbraw/zinc/63/85/28/869638528.db2.gz BHMGIWFCWADFIA-KHPPLWFESA-N 0 0 403.398 4.128 20 5 HIBDRN Cc1cc(C)c(C[C@@H](c2nc(-c3c([N+](=O)[O-])ncn3C)no2)C(F)(F)F)c(C)c1 ZINC000445580971 869639904 /nfs/dbraw/zinc/63/99/04/869639904.db2.gz WAQCUKQORYZNSW-ZDUSSCGKSA-N 0 0 409.368 4.192 20 5 HIBDRN Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000445580536 869640017 /nfs/dbraw/zinc/64/00/17/869640017.db2.gz WRGUCILBIOFPTR-UHFFFAOYSA-N 0 0 402.823 4.131 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cccc(Oc4ccncc4)c3)n2)c1 ZINC000445580953 869640229 /nfs/dbraw/zinc/64/02/29/869640229.db2.gz 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COc1ccccc1C(C)(C)c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000445685490 869756270 /nfs/dbraw/zinc/75/62/70/869756270.db2.gz RVWIEECBZVNPAR-UHFFFAOYSA-N 0 0 406.398 4.233 20 5 HIBDRN O=C(Cc1noc(-c2ccc(-c3ccccc3)cc2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000445696348 869763356 /nfs/dbraw/zinc/76/33/56/869763356.db2.gz GINNMCHWZOAKJQ-UHFFFAOYSA-N 0 0 414.421 4.171 20 5 HIBDRN O=C(NCc1nc2cc(Cl)ccc2s1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445698051 869764566 /nfs/dbraw/zinc/76/45/66/869764566.db2.gz WQZRPNCUBSIROL-UHFFFAOYSA-N 0 0 402.863 4.126 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3nc(COCC(F)(F)C(F)F)no3)cs2)cc1 ZINC000445744789 869796694 /nfs/dbraw/zinc/79/66/94/869796694.db2.gz WZUQQAWRUZAVHG-UHFFFAOYSA-N 0 0 418.328 4.185 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc(COCC(F)(F)C(F)F)no2)c2ccccc12 ZINC000445750565 869800383 /nfs/dbraw/zinc/80/03/83/869800383.db2.gz KANHYNOBJOQCKZ-UHFFFAOYSA-N 0 0 421.350 4.003 20 5 HIBDRN COc1cccc([C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000445754716 869802413 /nfs/dbraw/zinc/80/24/13/869802413.db2.gz BBSJSQAFYPWRBD-SFHVURJKSA-N 0 0 419.275 4.272 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000445792807 869826958 /nfs/dbraw/zinc/82/69/58/869826958.db2.gz ZCNHNPXVQQKIRF-WMZOPIPTSA-N 0 0 403.276 4.352 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCCC[C@@H]1c1ccncc1 ZINC000445814923 869837577 /nfs/dbraw/zinc/83/75/77/869837577.db2.gz DUZOXTYDDZAXCG-GOSISDBHSA-N 0 0 418.291 4.439 20 5 HIBDRN COc1cc(Cc2noc([C@H]3C[C@H]3c3cccc(F)c3F)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445816889 869838842 /nfs/dbraw/zinc/83/88/42/869838842.db2.gz YSGHFVUZAXBFCN-KBPBESRZSA-N 0 0 417.368 4.135 20 5 HIBDRN COc1cc(Cc2noc(CSc3ccccc3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445816936 869838899 /nfs/dbraw/zinc/83/88/99/869838899.db2.gz CKWLVMUVSPGUDV-UHFFFAOYSA-N 0 0 401.444 4.187 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1ccco1)c1ccccn1 ZINC000445822315 869844487 /nfs/dbraw/zinc/84/44/87/869844487.db2.gz QOSQHKYDCGOYKM-UHFFFAOYSA-N 0 0 416.231 4.121 20 5 HIBDRN CCOc1ccccc1/C=C\c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000445822187 869844611 /nfs/dbraw/zinc/84/46/11/869844611.db2.gz PCUHNAQXNSFFIV-KTKRTIGZSA-N 0 0 411.414 4.155 20 5 HIBDRN Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3I)n2)c(C)o1 ZINC000445828406 869849092 /nfs/dbraw/zinc/84/90/92/869849092.db2.gz BROMJHLXLFUPAE-UHFFFAOYSA-N 0 0 411.155 4.126 20 5 HIBDRN C/C(=C/c1nc(CC(=O)NCc2cccc(Cl)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445835518 869852746 /nfs/dbraw/zinc/85/27/46/869852746.db2.gz VBPFTILBPNIYDO-LCYFTJDESA-N 0 0 412.833 4.051 20 5 HIBDRN C/C(=C\c1nc(CC(=O)NCc2cccc(Cl)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445835519 869852894 /nfs/dbraw/zinc/85/28/94/869852894.db2.gz VBPFTILBPNIYDO-UKTHLTGXSA-N 0 0 412.833 4.051 20 5 HIBDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000445912859 869883821 /nfs/dbraw/zinc/88/38/21/869883821.db2.gz NHSSPEKIAMLCTP-KRWDZBQOSA-N 0 0 409.486 4.489 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000445921799 869889425 /nfs/dbraw/zinc/88/94/25/869889425.db2.gz NJQTWKDKDFEUGO-UHFFFAOYSA-N 0 0 417.465 4.139 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000445943750 869902838 /nfs/dbraw/zinc/90/28/38/869902838.db2.gz KJDMVYIKPNZLRA-YPMHNXCESA-N 0 0 423.229 4.385 20 5 HIBDRN COC(=O)c1scc(C)c1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000445943944 869904313 /nfs/dbraw/zinc/90/43/13/869904313.db2.gz LGATWMMRJMSFMQ-UHFFFAOYSA-N 0 0 400.865 4.136 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(CC(F)(F)F)C1CCCC1 ZINC000445962858 869931039 /nfs/dbraw/zinc/93/10/39/869931039.db2.gz QATIWRIXMMOSQV-UHFFFAOYSA-N 0 0 409.202 4.233 20 5 HIBDRN O=[N+]([O-])c1ccccc1/C=C/c1nc(Cc2ccc(OCC(F)(F)F)nc2)no1 ZINC000446002532 869965412 /nfs/dbraw/zinc/96/54/12/869965412.db2.gz OLBSFTSLZGJQPO-SOFGYWHQSA-N 0 0 406.320 4.075 20 5 HIBDRN COc1nc(C)c(Br)cc1-c1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000446004028 869968268 /nfs/dbraw/zinc/96/82/68/869968268.db2.gz LUXVVNNOWCLBRM-SREVYHEPSA-N 0 0 417.219 4.290 20 5 HIBDRN O=c1cc(-c2nc([C@H]3CSc4ccccc4O3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446015050 869983118 /nfs/dbraw/zinc/98/31/18/869983118.db2.gz CLSCCZGCRYEOPI-OAHLLOKOSA-N 0 0 408.395 4.124 20 5 HIBDRN CC(=O)Nc1ccc(C)c(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1 ZINC000446016339 869984213 /nfs/dbraw/zinc/98/42/13/869984213.db2.gz QQFQLKLDLSMGRH-UHFFFAOYSA-N 0 0 410.455 4.262 20 5 HIBDRN CC[C@](C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc(C)cs1 ZINC000446043195 870004977 /nfs/dbraw/zinc/00/49/77/870004977.db2.gz QXPZGHYOVYCSDV-INIZCTEOSA-N 0 0 412.309 4.106 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCCc2c(F)cc(F)cc21 ZINC000446081564 870030814 /nfs/dbraw/zinc/03/08/14/870030814.db2.gz BKGVNXGRHDICFG-UHFFFAOYSA-N 0 0 403.204 4.290 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000446082202 870030887 /nfs/dbraw/zinc/03/08/87/870030887.db2.gz PALNVQAUJKKKMA-JSGCOSHPSA-N 0 0 411.277 4.069 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)cc1SC ZINC000446114861 870060483 /nfs/dbraw/zinc/06/04/83/870060483.db2.gz WVQVBYRRJIOLNM-UHFFFAOYSA-N 0 0 416.434 4.035 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000446135165 870079282 /nfs/dbraw/zinc/07/92/82/870079282.db2.gz BIDZFVIQKHUMMM-UHFFFAOYSA-N 0 0 415.449 4.369 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000446226604 870163274 /nfs/dbraw/zinc/16/32/74/870163274.db2.gz MTBWERNKMPXMTB-CRAIPNDOSA-N 0 0 408.285 4.385 20 5 HIBDRN Cc1cc(CC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n[nH]1 ZINC000446307361 870233475 /nfs/dbraw/zinc/23/34/75/870233475.db2.gz HUVUVOQMMDWANC-UHFFFAOYSA-N 0 0 418.812 4.070 20 5 HIBDRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000468450282 882388938 /nfs/dbraw/zinc/38/89/38/882388938.db2.gz XDZFOXMMAHMOJE-SJORKVTESA-N 0 0 424.501 4.098 20 5 HIBDRN O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000446365491 870275924 /nfs/dbraw/zinc/27/59/24/870275924.db2.gz YWOYJWZZNYHEQV-UHFFFAOYSA-N 0 0 421.638 4.653 20 5 HIBDRN CCCOc1cc(C)ccc1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000446401160 870302315 /nfs/dbraw/zinc/30/23/15/870302315.db2.gz ULUMUVHUOOYLFN-UHFFFAOYSA-N 0 0 404.488 4.353 20 5 HIBDRN Cc1nc(COc2cccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2)cs1 ZINC000446421528 870333462 /nfs/dbraw/zinc/33/34/62/870333462.db2.gz VTMGHSGFKMZOQN-UHFFFAOYSA-N 0 0 409.467 4.137 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000446422615 870335433 /nfs/dbraw/zinc/33/54/33/870335433.db2.gz LPDRNMOQSHMZRP-HXUWFJFHSA-N 0 0 424.888 4.469 20 5 HIBDRN CCCN(CCC)C(=O)c1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000446424241 870338563 /nfs/dbraw/zinc/33/85/63/870338563.db2.gz BYWNFABKIJHVNL-UHFFFAOYSA-N 0 0 409.486 4.056 20 5 HIBDRN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446436792 870356086 /nfs/dbraw/zinc/35/60/86/870356086.db2.gz XELVNBBREWYKKP-UHFFFAOYSA-N 0 0 424.482 4.085 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000446480976 870393051 /nfs/dbraw/zinc/39/30/51/870393051.db2.gz DWHQTWXOEZKSCJ-AWEZNQCLSA-N 0 0 404.417 4.092 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000446489223 870402891 /nfs/dbraw/zinc/40/28/91/870402891.db2.gz WDYMVEZFTGAUCF-CYBMUJFWSA-N 0 0 408.380 4.322 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000446490194 870404241 /nfs/dbraw/zinc/40/42/41/870404241.db2.gz JJXYBRJPGYMZSG-HUUCEWRRSA-N 0 0 417.893 4.493 20 5 HIBDRN COc1cc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c(SC)cc1OC ZINC000446491016 870404430 /nfs/dbraw/zinc/40/44/30/870404430.db2.gz SINDGFRXRDEYFA-UHFFFAOYSA-N 0 0 405.476 4.306 20 5 HIBDRN C[C@]1(c2ccccc2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446552494 870466588 /nfs/dbraw/zinc/46/65/88/870466588.db2.gz ZNSGREGWLBNGIQ-IBGZPJMESA-N 0 0 403.276 4.090 20 5 HIBDRN CC[C@@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000446602823 870509044 /nfs/dbraw/zinc/50/90/44/870509044.db2.gz CAPPIYVMBNTZBO-CYBMUJFWSA-N 0 0 401.850 4.373 20 5 HIBDRN CCCCOc1ccc(-c2nnc(CN3CCc4ccc([N+](=O)[O-])cc4C3)o2)cc1 ZINC000446737727 870645310 /nfs/dbraw/zinc/64/53/10/870645310.db2.gz ZELRKRQGFPFOFL-UHFFFAOYSA-N 0 0 408.458 4.382 20 5 HIBDRN CC[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1nc(C(F)(F)F)cs1 ZINC000446787938 870705692 /nfs/dbraw/zinc/70/56/92/870705692.db2.gz ZOYRIOJYPOVEKA-CYBMUJFWSA-N 0 0 414.409 4.289 20 5 HIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000446854316 870775177 /nfs/dbraw/zinc/77/51/77/870775177.db2.gz WVHHPAJGWLWDKC-UHFFFAOYSA-N 0 0 406.429 4.013 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000446894818 870814200 /nfs/dbraw/zinc/81/42/00/870814200.db2.gz RGUKWWZTIUASLS-SFHVURJKSA-N 0 0 413.437 4.333 20 5 HIBDRN Cc1cc(C)cc(C2=CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000446904803 870822603 /nfs/dbraw/zinc/82/26/03/870822603.db2.gz OUYSMDMXMXWFMW-UHFFFAOYSA-N 0 0 405.458 4.087 20 5 HIBDRN CC(C)(C)c1ccc2c(c1)CN(C(=O)NCc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000446907057 870825652 /nfs/dbraw/zinc/82/56/52/870825652.db2.gz UFGMDYHGBSZTNL-UHFFFAOYSA-N 0 0 407.474 4.037 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000446907918 870825724 /nfs/dbraw/zinc/82/57/24/870825724.db2.gz HDNAWKLQGACUNS-UHFFFAOYSA-N 0 0 413.437 4.410 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC2(CCCC2)c2c1cccc2F ZINC000446911202 870828668 /nfs/dbraw/zinc/82/86/68/870828668.db2.gz QAPBUTSZHYUMFC-UHFFFAOYSA-N 0 0 409.421 4.152 20 5 HIBDRN CC[C@@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1c1ccccc1 ZINC000446914726 870831400 /nfs/dbraw/zinc/83/14/00/870831400.db2.gz PKKQILKTFCBWRH-QAPCUYQASA-N 0 0 407.474 4.196 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2OC)cc1OC ZINC000468480889 882448143 /nfs/dbraw/zinc/44/81/43/882448143.db2.gz XIPPCYMITXPSIW-AWEZNQCLSA-N 0 0 423.487 4.011 20 5 HIBDRN C[C@@H]1[C@H](c2ccccc2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447016217 870894868 /nfs/dbraw/zinc/89/48/68/870894868.db2.gz IJFOYDRYUNRAKY-IUODEOHRSA-N 0 0 414.405 4.180 20 5 HIBDRN C[C@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447035195 870910921 /nfs/dbraw/zinc/91/09/21/870910921.db2.gz CCKVTIFCFVTTBR-SECBINFHSA-N 0 0 424.347 4.274 20 5 HIBDRN CCc1ccc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000447043111 870919585 /nfs/dbraw/zinc/91/95/85/870919585.db2.gz WPUMMJIWHWLQKF-UHFFFAOYSA-N 0 0 402.394 4.391 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cc1[N+](=O)[O-] ZINC000447176242 871069423 /nfs/dbraw/zinc/06/94/23/871069423.db2.gz MJIHOOOWJBSPFS-HNNXBMFYSA-N 0 0 424.432 4.135 20 5 HIBDRN CC(=O)N(C)c1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 ZINC000447191019 871081313 /nfs/dbraw/zinc/08/13/13/871081313.db2.gz GRCDYGCNICJONJ-UHFFFAOYSA-N 0 0 410.455 4.262 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c2cc(OC)ccc21 ZINC000447258099 871135700 /nfs/dbraw/zinc/13/57/00/871135700.db2.gz RXRAXGZZCIWUOX-UHFFFAOYSA-N 0 0 400.460 4.624 20 5 HIBDRN CCn1c(SCCCNC(=O)C2CCCC2)nc2cc3ccccc3cc2c1=O ZINC000447349097 871251615 /nfs/dbraw/zinc/25/16/15/871251615.db2.gz VDRYUZXWEGOPJD-UHFFFAOYSA-N 0 0 409.555 4.358 20 5 HIBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1c(F)ccc(Br)c1F ZINC000447421710 871326272 /nfs/dbraw/zinc/32/62/72/871326272.db2.gz HWPFMXCQLUHLFQ-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN Cc1c(NC(=O)C(=O)NC2(c3c(Cl)cccc3Cl)CCC2)cccc1[N+](=O)[O-] ZINC000447465394 871355519 /nfs/dbraw/zinc/35/55/19/871355519.db2.gz YAKABOOFYXMMKU-UHFFFAOYSA-N 0 0 422.268 4.344 20 5 HIBDRN CC(C)OCCOCc1cccc(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447601559 871508573 /nfs/dbraw/zinc/50/85/73/871508573.db2.gz QIKJBELNNKNEHS-PMACEKPBSA-N 0 0 402.495 4.329 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1(CO)CC(c2ccccc2)C1 ZINC000447623857 871529261 /nfs/dbraw/zinc/52/92/61/871529261.db2.gz GFTDVTUARLQJJO-UHFFFAOYSA-N 0 0 414.527 4.381 20 5 HIBDRN CN1C(=O)Cc2cc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)ccc21 ZINC000447667314 871597887 /nfs/dbraw/zinc/59/78/87/871597887.db2.gz WENNVDMXLVTPHS-UHFFFAOYSA-N 0 0 402.410 4.110 20 5 HIBDRN CC(C)Oc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)ccc1C(N)=O ZINC000447669439 871599540 /nfs/dbraw/zinc/59/95/40/871599540.db2.gz FYVMMYGYGCYFHG-UHFFFAOYSA-N 0 0 417.487 4.234 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H](Nc2ccccc2)C1 ZINC000447675875 871608532 /nfs/dbraw/zinc/60/85/32/871608532.db2.gz OTFQRBZZQUJNBV-GFCCVEGCSA-N 0 0 402.323 4.335 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@@H](C)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447691046 871626106 /nfs/dbraw/zinc/62/61/06/871626106.db2.gz NQFGHPYTYNQRPG-MRVPVSSYSA-N 0 0 407.343 4.037 20 5 HIBDRN Cc1cc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc([N+](=O)[O-])c1 ZINC000447694007 871631614 /nfs/dbraw/zinc/63/16/14/871631614.db2.gz PFHKHVADSUPBFH-UHFFFAOYSA-N 0 0 418.291 4.382 20 5 HIBDRN CN(C[C@@H]1OCCc2ccccc21)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447695839 871636383 /nfs/dbraw/zinc/63/63/83/871636383.db2.gz YWHDHPVTLNAVLI-HNNXBMFYSA-N 0 0 417.334 4.394 20 5 HIBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1C[C@H](O)Cc2ccccc21 ZINC000447713838 871655105 /nfs/dbraw/zinc/65/51/05/871655105.db2.gz KMWUOVTWYCESEA-GOSISDBHSA-N 0 0 406.463 4.310 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000447736206 871686378 /nfs/dbraw/zinc/68/63/78/871686378.db2.gz KKVNIFLKFHXRFI-CQSZACIVSA-N 0 0 418.291 4.004 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000447804543 871740847 /nfs/dbraw/zinc/74/08/47/871740847.db2.gz FVUMSTVDLSKLEX-GDBMZVCRSA-N 0 0 401.429 4.208 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H](c1ccccc1)c1ccccn1 ZINC000447810172 871742501 /nfs/dbraw/zinc/74/25/01/871742501.db2.gz GYERCZPDIUHIOJ-HSZRJFAPSA-N 0 0 404.470 4.024 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Sc1nnc(-c2cccs2)n1C ZINC000447810984 871743075 /nfs/dbraw/zinc/74/30/75/871743075.db2.gz LSURNTCEJKBYTC-UHFFFAOYSA-N 0 0 410.864 4.043 20 5 HIBDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000447862519 871786235 /nfs/dbraw/zinc/78/62/35/871786235.db2.gz VASKURAFVMZGEE-UHFFFAOYSA-N 0 0 406.402 4.070 20 5 HIBDRN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000447973916 871828924 /nfs/dbraw/zinc/82/89/24/871828924.db2.gz CZRHXHWDALTYCX-UONOGXRCSA-N 0 0 401.419 4.096 20 5 HIBDRN O=C(c1cc(Br)cc(NCc2cccc([N+](=O)[O-])c2)c1)N1CCCC1 ZINC000447977316 871831341 /nfs/dbraw/zinc/83/13/41/871831341.db2.gz NYEHBBCVSBWUMP-UHFFFAOYSA-N 0 0 404.264 4.205 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448026749 871865977 /nfs/dbraw/zinc/86/59/77/871865977.db2.gz JQHUCOOIOQMGGX-XOBRGWDASA-N 0 0 416.909 4.478 20 5 HIBDRN O=[N+]([O-])c1ccc(SCc2noc(Cc3ccc(Br)cc3)n2)nc1 ZINC000448038870 871872170 /nfs/dbraw/zinc/87/21/70/871872170.db2.gz MZVVKCGMGBKRSQ-UHFFFAOYSA-N 0 0 407.249 4.018 20 5 HIBDRN O=C1[C@@H](Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCCN1CC(F)(F)F ZINC000448054150 871883577 /nfs/dbraw/zinc/88/35/77/871883577.db2.gz NJXYXIBACBBFHK-KRWDZBQOSA-N 0 0 409.364 4.352 20 5 HIBDRN C[C@H](SCCn1cc([N+](=O)[O-])cn1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000448067148 871892244 /nfs/dbraw/zinc/89/22/44/871892244.db2.gz HPFRUQPWVZXDST-JTQLQIEISA-N 0 0 413.381 4.355 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2C(=O)CSc2ccc([N+](=O)[O-])cn2)cc1 ZINC000448103498 871948607 /nfs/dbraw/zinc/94/86/07/871948607.db2.gz TZEDUSBZCAZMAF-SFHVURJKSA-N 0 0 401.488 4.234 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n(-c2ccccc2)n1 ZINC000448172843 872047839 /nfs/dbraw/zinc/04/78/39/872047839.db2.gz FTKVDTYYNPUETC-CQSZACIVSA-N 0 0 404.426 4.196 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Oc2ccccc2C)cc([N+](=O)[O-])c1OC ZINC000448186182 872064713 /nfs/dbraw/zinc/06/47/13/872064713.db2.gz VYHQMGOHHHYCCY-APWZRJJASA-N 0 0 414.458 4.040 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000448222315 872133036 /nfs/dbraw/zinc/13/30/36/872133036.db2.gz HUKGXQHGYQECSH-AEFFLSMTSA-N 0 0 421.501 4.389 20 5 HIBDRN CCOc1ccc(-c2nc(CSCc3ccc(C(N)=O)cc3[N+](=O)[O-])co2)cc1 ZINC000448229698 872143219 /nfs/dbraw/zinc/14/32/19/872143219.db2.gz KOKQVGKECRWJGP-UHFFFAOYSA-N 0 0 413.455 4.181 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n(-c2ccccc2)n1 ZINC000448231452 872145486 /nfs/dbraw/zinc/14/54/86/872145486.db2.gz SHZXDFQQQGHGJS-CYBMUJFWSA-N 0 0 413.865 4.495 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000448430719 872379839 /nfs/dbraw/zinc/37/98/39/872379839.db2.gz FXUAJHMOTPYFIS-KSSFIOAISA-N 0 0 416.474 4.479 20 5 HIBDRN O=C(C[C@@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000448436244 872382633 /nfs/dbraw/zinc/38/26/33/872382633.db2.gz MIDFTLRVLSNROS-FQEVSTJZSA-N 0 0 413.449 4.190 20 5 HIBDRN CSc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000448442080 872384756 /nfs/dbraw/zinc/38/47/56/872384756.db2.gz CPZAQOCNRKDBDN-INIZCTEOSA-N 0 0 402.447 4.333 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000468561466 882617439 /nfs/dbraw/zinc/61/74/39/882617439.db2.gz UXRMLBVCKHFIEA-AWEZNQCLSA-N 0 0 412.446 4.247 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cc1SC ZINC000448530005 872526481 /nfs/dbraw/zinc/52/64/81/872526481.db2.gz BTTAGXXHYVUCJC-UHFFFAOYSA-N 0 0 420.331 4.282 20 5 HIBDRN O=C(Nc1cc(-c2cccc(F)c2)on1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000448545314 872556512 /nfs/dbraw/zinc/55/65/12/872556512.db2.gz YVBKOYLBHUCPMR-UHFFFAOYSA-N 0 0 410.386 4.765 20 5 HIBDRN O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)[C@@H]1Cc2ccccc21 ZINC000460121185 872592754 /nfs/dbraw/zinc/59/27/54/872592754.db2.gz MWLGQVGZLONUJM-GOSISDBHSA-N 0 0 400.394 4.319 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460139521 872635581 /nfs/dbraw/zinc/63/55/81/872635581.db2.gz NMAGNSHIVDWPQN-JOCHJYFZSA-N 0 0 421.428 4.428 20 5 HIBDRN O=[N+]([O-])c1ccc(-n2ccc(-c3nc(CCn4ccc5ccccc54)no3)n2)cc1 ZINC000460150328 872674331 /nfs/dbraw/zinc/67/43/31/872674331.db2.gz MEDZXOBUTWDMTQ-UHFFFAOYSA-N 0 0 400.398 4.028 20 5 HIBDRN CCc1ccc(-c2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1[N+](=O)[O-] ZINC000460156124 872689031 /nfs/dbraw/zinc/68/90/31/872689031.db2.gz RXIWNHXIBXTOKP-UHFFFAOYSA-N 0 0 420.347 4.407 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000468579673 882654810 /nfs/dbraw/zinc/65/48/10/882654810.db2.gz WMHYQPNNOKYVAI-INIZCTEOSA-N 0 0 404.264 4.074 20 5 HIBDRN CCn1c(-c2cccc(OC)c2OC)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000460199225 872774724 /nfs/dbraw/zinc/77/47/24/872774724.db2.gz SOGGDVPLYVFEJB-UHFFFAOYSA-N 0 0 423.473 4.059 20 5 HIBDRN C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000460227348 872813614 /nfs/dbraw/zinc/81/36/14/872813614.db2.gz KSVCUPBIIYZZFB-CYBMUJFWSA-N 0 0 423.391 4.411 20 5 HIBDRN CCn1c(Cc2c[nH]c3ccccc23)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000460230537 872817742 /nfs/dbraw/zinc/81/77/42/872817742.db2.gz AMVPLGMNXRQUDK-UHFFFAOYSA-N 0 0 416.485 4.447 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000460237231 872825840 /nfs/dbraw/zinc/82/58/40/872825840.db2.gz VCJGWVBHPKQQCP-HNNXBMFYSA-N 0 0 409.412 4.432 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000460300667 872891110 /nfs/dbraw/zinc/89/11/10/872891110.db2.gz AGMYMBTZVQFUHG-CQSZACIVSA-N 0 0 407.474 4.050 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000460309487 872896457 /nfs/dbraw/zinc/89/64/57/872896457.db2.gz YRWZCPQATCVAEC-FQEVSTJZSA-N 0 0 407.474 4.059 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000460314025 872899515 /nfs/dbraw/zinc/89/95/15/872899515.db2.gz ICOMUJMRHQORTN-LJQANCHMSA-N 0 0 423.473 4.232 20 5 HIBDRN CCOc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000460345405 872961828 /nfs/dbraw/zinc/96/18/28/872961828.db2.gz GDGKOGLEZRZZQQ-FQEVSTJZSA-N 0 0 402.472 4.280 20 5 HIBDRN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460354824 872976965 /nfs/dbraw/zinc/97/69/65/872976965.db2.gz UPDACLNLMOGGAG-AWEZNQCLSA-N 0 0 412.494 4.030 20 5 HIBDRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000460357202 872981200 /nfs/dbraw/zinc/98/12/00/872981200.db2.gz RKEPPKMTDTVPIJ-LZHZSBQWSA-N 0 0 411.483 4.077 20 5 HIBDRN Cc1ccc(NCCCNC(=O)c2ncoc2-c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000460357913 872982528 /nfs/dbraw/zinc/98/25/28/872982528.db2.gz ASIKJSGDIPQQAZ-UHFFFAOYSA-N 0 0 414.849 4.444 20 5 HIBDRN O=C(CCOc1ccc(F)cc1Cl)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460368607 873004459 /nfs/dbraw/zinc/00/44/59/873004459.db2.gz YYVFQZKASRGMOI-SFHVURJKSA-N 0 0 410.854 4.430 20 5 HIBDRN O=C(Nc1ccc(Br)c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000460377862 873016949 /nfs/dbraw/zinc/01/69/49/873016949.db2.gz AFENCNKEDFRCPI-UHFFFAOYSA-N 0 0 422.254 4.352 20 5 HIBDRN COc1cccc(-n2c(NC(=O)c3ccc([N+](=O)[O-])cc3F)nc3ccccc32)c1 ZINC000460390286 873035808 /nfs/dbraw/zinc/03/58/08/873035808.db2.gz VLCFEIQCCQWYBB-UHFFFAOYSA-N 0 0 406.373 4.334 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000460401794 873052638 /nfs/dbraw/zinc/05/26/38/873052638.db2.gz NNSGBBNCQQBOGU-MDOVXXIYSA-N 0 0 418.877 4.313 20 5 HIBDRN Cn1cc(C(=O)Nc2ccc(Br)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000460403585 873055759 /nfs/dbraw/zinc/05/57/59/873055759.db2.gz SDPOOGPENGWHSJ-UHFFFAOYSA-N 0 0 419.210 4.149 20 5 HIBDRN COc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460407946 873060103 /nfs/dbraw/zinc/06/01/03/873060103.db2.gz WFKQRZWGFACESH-LJQANCHMSA-N 0 0 413.474 4.295 20 5 HIBDRN CO[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CCc2ccccc2)[C@@H](C)C1 ZINC000460419035 873076369 /nfs/dbraw/zinc/07/63/69/873076369.db2.gz IBJMJAFMLBSZRK-LAUBAEHRSA-N 0 0 421.501 4.100 20 5 HIBDRN C[C@@H]1CSCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CCc1ccccc1 ZINC000460421083 873079308 /nfs/dbraw/zinc/07/93/08/873079308.db2.gz OLGGGACXQQWMDB-MRXNPFEDSA-N 0 0 409.515 4.038 20 5 HIBDRN C[C@H]1CSCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccc1 ZINC000460426535 873087694 /nfs/dbraw/zinc/08/76/94/873087694.db2.gz OLKXKKMYAWRQQL-INIZCTEOSA-N 0 0 409.515 4.038 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@H](C)Oc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000460430047 873093872 /nfs/dbraw/zinc/09/38/72/873093872.db2.gz VSMKQSHGYBZGFK-ZDUSSCGKSA-N 0 0 424.906 4.074 20 5 HIBDRN C[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000460437063 873105073 /nfs/dbraw/zinc/10/50/73/873105073.db2.gz NJMFKANNTDFEKZ-GFCCVEGCSA-N 0 0 413.257 4.254 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000460471257 873156127 /nfs/dbraw/zinc/15/61/27/873156127.db2.gz LAWJUMSKSHNFKD-UHFFFAOYSA-N 0 0 402.369 4.417 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000460497363 873183832 /nfs/dbraw/zinc/18/38/32/873183832.db2.gz CBNMQCUCYHOLOY-ZDUSSCGKSA-N 0 0 408.401 4.183 20 5 HIBDRN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCCc1ccccc1[N+](=O)[O-] ZINC000460510621 873197918 /nfs/dbraw/zinc/19/79/18/873197918.db2.gz ZEFUEHXBHQWTQZ-UHFFFAOYSA-N 0 0 415.902 4.197 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H](C)CO2)c1 ZINC000460556865 873275060 /nfs/dbraw/zinc/27/50/60/873275060.db2.gz VUDFHNRIHPUJET-YWZLYKJASA-N 0 0 402.878 4.396 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@@H](C)CO2)c1 ZINC000460580235 873315181 /nfs/dbraw/zinc/31/51/81/873315181.db2.gz FQPBMLNDTZDJCX-HTAPYJJXSA-N 0 0 407.470 4.155 20 5 HIBDRN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCN(c2ccccc2)CC1 ZINC000460587325 873324549 /nfs/dbraw/zinc/32/45/49/873324549.db2.gz ZWFVKQFWJZKCTI-UHFFFAOYSA-N 0 0 420.517 4.226 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2ccccc2n1-c1ccccc1F ZINC000460627191 873368031 /nfs/dbraw/zinc/36/80/31/873368031.db2.gz QCKZYFLXTCSHJU-UHFFFAOYSA-N 0 0 406.373 4.090 20 5 HIBDRN C[C@H]1CCCN(C(=O)c2cc(C(=O)N3CCC[C@H](C)CC3)cc([N+](=O)[O-])c2)CC1 ZINC000460649955 873390877 /nfs/dbraw/zinc/39/08/77/873390877.db2.gz BVNAIZZLDAJFEK-IRXDYDNUSA-N 0 0 401.507 4.119 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000460664180 873407409 /nfs/dbraw/zinc/40/74/09/873407409.db2.gz XFMQXQZJBVPZHS-UHFFFAOYSA-N 0 0 414.364 4.361 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000468613871 882726554 /nfs/dbraw/zinc/72/65/54/882726554.db2.gz UZKYMWWYNRVJRO-KRWDZBQOSA-N 0 0 405.401 4.024 20 5 HIBDRN 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O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462369865 875482774 /nfs/dbraw/zinc/48/27/74/875482774.db2.gz QZHRLEFRNARPRQ-JCNLHEQBSA-N 0 0 403.276 4.352 20 5 HIBDRN Cc1nn(C)c2cc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 ZINC000462379764 875491106 /nfs/dbraw/zinc/49/11/06/875491106.db2.gz UHBCPEPCDOUZTB-UHFFFAOYSA-N 0 0 421.379 4.249 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1OC(F)F ZINC000462387272 875497810 /nfs/dbraw/zinc/49/78/10/875497810.db2.gz FWPORPMQAINBCP-SNVBAGLBSA-N 0 0 423.199 4.355 20 5 HIBDRN CCCOc1ccc(Br)cc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000462390039 875501188 /nfs/dbraw/zinc/50/11/88/875501188.db2.gz ANQGUYQUXDEEAZ-UHFFFAOYSA-N 0 0 401.644 4.010 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000462400076 875508728 /nfs/dbraw/zinc/50/87/28/875508728.db2.gz FRSAVIIWGJWFEL-ZDUSSCGKSA-N 0 0 423.318 4.014 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000462415482 875523305 /nfs/dbraw/zinc/52/33/05/875523305.db2.gz GNBYOTWEVVKWLL-ZBFHGGJFSA-N 0 0 416.474 4.067 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000462434834 875540666 /nfs/dbraw/zinc/54/06/66/875540666.db2.gz CKKKBJQAQJYUTN-HXUWFJFHSA-N 0 0 419.481 4.454 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000462439308 875544069 /nfs/dbraw/zinc/54/40/69/875544069.db2.gz XNNKNASKFRKHES-QGZVFWFLSA-N 0 0 409.486 4.475 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000462441901 875547862 /nfs/dbraw/zinc/54/78/62/875547862.db2.gz RHYIZARASUBAQO-GOSISDBHSA-N 0 0 412.490 4.010 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000462447466 875553548 /nfs/dbraw/zinc/55/35/48/875553548.db2.gz OIWTYBXOQXXGGO-KBPBESRZSA-N 0 0 422.938 4.016 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCCOC)c(Cl)c1 ZINC000462488186 875597759 /nfs/dbraw/zinc/59/77/59/875597759.db2.gz VGKGDROOCHFQBO-HNNXBMFYSA-N 0 0 406.866 4.481 20 5 HIBDRN COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000462490038 875599307 /nfs/dbraw/zinc/59/93/07/875599307.db2.gz MSIHBEJIDIHAKY-HNNXBMFYSA-N 0 0 412.467 4.310 20 5 HIBDRN CCc1nccn1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462489450 875600574 /nfs/dbraw/zinc/60/05/74/875600574.db2.gz NNYVIEILWODWLA-GOSISDBHSA-N 0 0 407.474 4.169 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(N3CCCC3)s2)nc1OCc1ccccc1 ZINC000462505590 875622517 /nfs/dbraw/zinc/62/25/17/875622517.db2.gz WIHZKZIJUXRGRV-UHFFFAOYSA-N 0 0 415.500 4.172 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OCCn1ccnc1 ZINC000462506590 875622659 /nfs/dbraw/zinc/62/26/59/875622659.db2.gz SHKZRQZXKGBCOG-SFHVURJKSA-N 0 0 408.458 4.078 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(COc2cccc(C(=O)OC)c2)no1 ZINC000462506679 875622803 /nfs/dbraw/zinc/62/28/03/875622803.db2.gz BJKMPTPZIIYAOH-HNNXBMFYSA-N 0 0 411.414 4.080 20 5 HIBDRN Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000462567793 875693833 /nfs/dbraw/zinc/69/38/33/875693833.db2.gz BURKGTGRBDIIEO-CABCVRRESA-N 0 0 413.380 4.217 20 5 HIBDRN Cc1ccc(-c2nc(C)c(C(=O)Nc3cc(C)nc4ccc([N+](=O)[O-])cc43)s2)o1 ZINC000462570871 875695375 /nfs/dbraw/zinc/69/53/75/875695375.db2.gz YTPLJVOQPQCEEL-UHFFFAOYSA-N 0 0 408.439 4.459 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](CSc3ccccc3)C2)c(Cl)c1 ZINC000462584097 875702505 /nfs/dbraw/zinc/70/25/05/875702505.db2.gz IDNSMYXMUDDVHC-ZDUSSCGKSA-N 0 0 412.920 4.051 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(N(C)C)nc2ccccc12 ZINC000462611324 875723300 /nfs/dbraw/zinc/72/33/00/875723300.db2.gz FDUGRXCXABBYKD-KRWDZBQOSA-N 0 0 406.486 4.094 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000462610149 875723437 /nfs/dbraw/zinc/72/34/37/875723437.db2.gz CIZPYXIWDARMFK-GDBMZVCRSA-N 0 0 424.457 4.100 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(N(C)C)nc2ccccc12 ZINC000462611325 875723715 /nfs/dbraw/zinc/72/37/15/875723715.db2.gz FDUGRXCXABBYKD-QGZVFWFLSA-N 0 0 406.486 4.094 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(OC)ccc1OC(F)F ZINC000462614380 875726827 /nfs/dbraw/zinc/72/68/27/875726827.db2.gz LVZAGIUWHBHISL-AWEZNQCLSA-N 0 0 408.401 4.090 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H](OC)c1ccc(OC)cc1 ZINC000462626745 875738274 /nfs/dbraw/zinc/73/82/74/875738274.db2.gz OPDHXOYVTPAZJY-CEQIKUNHSA-N 0 0 400.475 4.065 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000462629817 875741209 /nfs/dbraw/zinc/74/12/09/875741209.db2.gz GDPMLAINLSXRTD-VOBQZIQPSA-N 0 0 404.413 4.088 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c2c(nn1C)CCCC2 ZINC000462630610 875741389 /nfs/dbraw/zinc/74/13/89/875741389.db2.gz ZVVSUSOGPDTYPI-UHFFFAOYSA-N 0 0 402.520 4.029 20 5 HIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000468905141 882959763 /nfs/dbraw/zinc/95/97/63/882959763.db2.gz IHRPASOIYRILRJ-UHFFFAOYSA-N 0 0 417.400 4.209 20 5 HIBDRN C[C@@H](NC(=O)Cn1ccc2c1cccc2[N+](=O)[O-])c1ccc(Br)cc1 ZINC000462635286 875746130 /nfs/dbraw/zinc/74/61/30/875746130.db2.gz CIWKXSRBRXKBHX-GFCCVEGCSA-N 0 0 402.248 4.189 20 5 HIBDRN CCCCNC(=O)c1ccc(Cl)cc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000462677908 875773905 /nfs/dbraw/zinc/77/39/05/875773905.db2.gz MJRMMBYTBPSBBX-UHFFFAOYSA-N 0 0 420.849 4.224 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000462722517 875800660 /nfs/dbraw/zinc/80/06/60/875800660.db2.gz PPXYBIJZUFTDBI-KBXCAEBGSA-N 0 0 424.906 4.016 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(c2cn[nH]c2)CC1 ZINC000462794127 875844529 /nfs/dbraw/zinc/84/45/29/875844529.db2.gz UDDWDQQOXLZNQV-UHFFFAOYSA-N 0 0 402.252 4.013 20 5 HIBDRN C[C@H](c1ccc(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000462819254 875859035 /nfs/dbraw/zinc/85/90/35/875859035.db2.gz RTLJZYKQDADTBL-GFCCVEGCSA-N 0 0 413.371 4.358 20 5 HIBDRN CN(Cc1cc2c(cc1OC(F)F)OCO2)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000462852421 875885621 /nfs/dbraw/zinc/88/56/21/875885621.db2.gz NMQYRZJOLAMJIM-UHFFFAOYSA-N 0 0 403.341 4.110 20 5 HIBDRN CN(CCc1cccc(Br)c1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000462864398 875894961 /nfs/dbraw/zinc/89/49/61/875894961.db2.gz USSCEVQZYLEFKN-UHFFFAOYSA-N 0 0 414.259 4.220 20 5 HIBDRN CCN(C[C@H](C)OC)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000462863163 875895331 /nfs/dbraw/zinc/89/53/31/875895331.db2.gz RIFBKZARLVJKGV-AWEZNQCLSA-N 0 0 405.882 4.357 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCC(F)(F)[C@H](CO)C2)ccc1Oc1ccccc1Cl ZINC000462868803 875899165 /nfs/dbraw/zinc/89/91/65/875899165.db2.gz BYYXTMYMJYXUEZ-AWEZNQCLSA-N 0 0 412.820 4.490 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000462882630 875910730 /nfs/dbraw/zinc/91/07/30/875910730.db2.gz GCSZKPCKPJLYHN-FQEVSTJZSA-N 0 0 422.403 4.071 20 5 HIBDRN CCOC(=O)c1ccnc(NCc2ccc(-c3cccc(OC)c3)cc2)c1[N+](=O)[O-] ZINC000462900398 875926611 /nfs/dbraw/zinc/92/66/11/875926611.db2.gz LQOMOURFEYUKBY-UHFFFAOYSA-N 0 0 407.426 4.454 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Sc2nncn2C)cc1 ZINC000462902123 875927842 /nfs/dbraw/zinc/92/78/42/875927842.db2.gz ZWACDWVEBGKZBV-OAHLLOKOSA-N 0 0 411.487 4.082 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2NC)cc1Cl ZINC000462908450 875933984 /nfs/dbraw/zinc/93/39/84/875933984.db2.gz KEHMHSLXYPYIFO-UHFFFAOYSA-N 0 0 404.854 4.024 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCCC2(CCOCC2)C1 ZINC000462910345 875935646 /nfs/dbraw/zinc/93/56/46/875935646.db2.gz HCVLGLHZVLQTDW-UHFFFAOYSA-N 0 0 406.280 4.303 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn(-c2ccc(F)cc2)nc1C ZINC000462914016 875940135 /nfs/dbraw/zinc/94/01/35/875940135.db2.gz PKELYQLLMUFWSN-QGZVFWFLSA-N 0 0 410.449 4.113 20 5 HIBDRN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462919341 875947335 /nfs/dbraw/zinc/94/73/35/875947335.db2.gz OSXOYIKQCGWORV-LPHOPBHVSA-N 0 0 409.467 4.368 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)c2ccncc21 ZINC000462930461 875959270 /nfs/dbraw/zinc/95/92/70/875959270.db2.gz BPQXJMYJFYFJJE-AWEZNQCLSA-N 0 0 421.375 4.305 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000462932152 875960242 /nfs/dbraw/zinc/96/02/42/875960242.db2.gz JTVBDTZYXKYDGY-JXFKEZNVSA-N 0 0 402.878 4.417 20 5 HIBDRN C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1ccc(Cl)cc1 ZINC000462938267 875961889 /nfs/dbraw/zinc/96/18/89/875961889.db2.gz BHSJQQSVHKRQSC-CQSZACIVSA-N 0 0 403.866 4.364 20 5 HIBDRN CCc1cc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc(-c2ccccn2)n1 ZINC000462946595 875967671 /nfs/dbraw/zinc/96/76/71/875967671.db2.gz RXPXJTFDQSBZMC-UHFFFAOYSA-N 0 0 405.458 4.057 20 5 HIBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000462950053 875968430 /nfs/dbraw/zinc/96/84/30/875968430.db2.gz OBIXGXJXXQRHSG-HNNXBMFYSA-N 0 0 424.888 4.076 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(-c2ccccn2)cs1 ZINC000462999243 876013607 /nfs/dbraw/zinc/01/36/07/876013607.db2.gz XUVFNPHNGRTVKK-INIZCTEOSA-N 0 0 410.499 4.041 20 5 HIBDRN Cc1cc(N[C@H](C)c2cccc(-n3ccnc3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463008594 876023748 /nfs/dbraw/zinc/02/37/48/876023748.db2.gz INFDREKQYOITJR-MRXNPFEDSA-N 0 0 400.442 4.141 20 5 HIBDRN COCCCCc1cccnc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000463010906 876026369 /nfs/dbraw/zinc/02/63/69/876026369.db2.gz NHUUAYYQCNRRRY-UHFFFAOYSA-N 0 0 415.493 4.158 20 5 HIBDRN CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000463032174 876052181 /nfs/dbraw/zinc/05/21/81/876052181.db2.gz XPBRRGPUXAVBIG-KRWDZBQOSA-N 0 0 400.504 4.262 20 5 HIBDRN CCn1c(=O)c2c3c(sc2nc1Sc1ncc(C)cc1[N+](=O)[O-])CCCC3 ZINC000463054307 876081484 /nfs/dbraw/zinc/08/14/84/876081484.db2.gz QUDRFGAFMAZFMC-UHFFFAOYSA-N 0 0 402.501 4.120 20 5 HIBDRN Cc1cnc(N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000463057647 876086915 /nfs/dbraw/zinc/08/69/15/876086915.db2.gz ROCPXOJHFYLFQV-UHFFFAOYSA-N 0 0 409.273 4.460 20 5 HIBDRN C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1ccccc1Cl ZINC000463076657 876107361 /nfs/dbraw/zinc/10/73/61/876107361.db2.gz XOXHLHCHHFEYOG-AWEZNQCLSA-N 0 0 403.866 4.364 20 5 HIBDRN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000463082352 876114545 /nfs/dbraw/zinc/11/45/45/876114545.db2.gz CKHJFMCBCLTATB-SUMWQHHRSA-N 0 0 405.248 4.007 20 5 HIBDRN C[C@H](c1ccsc1)N1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000463089595 876121051 /nfs/dbraw/zinc/12/10/51/876121051.db2.gz VTRPIJVYXIGPON-CABCVRRESA-N 0 0 405.545 4.042 20 5 HIBDRN O=C(NCc1csc(Br)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463110472 876149901 /nfs/dbraw/zinc/14/99/01/876149901.db2.gz CJIASDSXLSKYCU-UHFFFAOYSA-N 0 0 409.183 4.368 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1csc(-c2ccncc2)n1 ZINC000463129015 876173908 /nfs/dbraw/zinc/17/39/08/876173908.db2.gz HXJMIJFGMLBZAX-UHFFFAOYSA-N 0 0 412.474 4.312 20 5 HIBDRN CC(=O)N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)c1ccc(Cl)cc1 ZINC000463131465 876176912 /nfs/dbraw/zinc/17/69/12/876176912.db2.gz NQDRWOGFXLNEJQ-QGZVFWFLSA-N 0 0 412.833 4.002 20 5 HIBDRN C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463146383 876201094 /nfs/dbraw/zinc/20/10/94/876201094.db2.gz NXUYHZZHKGSXDT-VIFPVBQESA-N 0 0 404.291 4.089 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc3nc(-c4cscn4)[nH]c3c2)no1 ZINC000463163901 876218432 /nfs/dbraw/zinc/21/84/32/876218432.db2.gz DVMLHXQRCVWBSX-UHFFFAOYSA-N 0 0 420.410 4.320 20 5 HIBDRN Cc1cccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1C ZINC000463226138 876283147 /nfs/dbraw/zinc/28/31/47/876283147.db2.gz VHPNPZCQECOJNF-UHFFFAOYSA-N 0 0 407.392 4.193 20 5 HIBDRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000463226730 876284624 /nfs/dbraw/zinc/28/46/24/876284624.db2.gz MSIOLQMXWHKKOX-UHFFFAOYSA-N 0 0 407.455 4.324 20 5 HIBDRN C[C@@H](Sc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000463256707 876313800 /nfs/dbraw/zinc/31/38/00/876313800.db2.gz KKEJPPOOWNSCKF-CVEARBPZSA-N 0 0 417.535 4.209 20 5 HIBDRN CN(CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1[N+](=O)[O-] ZINC000463355532 876408544 /nfs/dbraw/zinc/40/85/44/876408544.db2.gz RYGQFTOFDRTECI-UHFFFAOYSA-N 0 0 422.466 4.217 20 5 HIBDRN CCCn1c(SCc2cc(OC)c(F)cc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC000463392882 876448423 /nfs/dbraw/zinc/44/84/23/876448423.db2.gz DROUJWKVZVOXDV-UHFFFAOYSA-N 0 0 403.439 4.098 20 5 HIBDRN CCn1c(=O)c2c(C)c(C)sc2nc1SCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463398080 876453317 /nfs/dbraw/zinc/45/33/17/876453317.db2.gz PDOJUUMIFIYQNP-UHFFFAOYSA-N 0 0 423.491 4.443 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(Br)cc2cccnc21 ZINC000463400166 876454975 /nfs/dbraw/zinc/45/49/75/876454975.db2.gz VRLBPIIBQQZZSW-NSHDSACASA-N 0 0 412.243 4.497 20 5 HIBDRN O=C(c1cccc2cc[nH]c21)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000463466281 876526443 /nfs/dbraw/zinc/52/64/43/876526443.db2.gz JCYQMHIMSGWMCZ-UHFFFAOYSA-N 0 0 418.375 4.057 20 5 HIBDRN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000463476729 876535596 /nfs/dbraw/zinc/53/55/96/876535596.db2.gz RYEHKJSVKRJXQI-JTQLQIEISA-N 0 0 415.298 4.429 20 5 HIBDRN COc1cc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c([N+](=O)[O-])cc1F ZINC000463486405 876544370 /nfs/dbraw/zinc/54/43/70/876544370.db2.gz ZZYYRXZRYOEOJA-UHFFFAOYSA-N 0 0 408.376 4.116 20 5 HIBDRN COc1ccc(N(CC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000463524041 876592622 /nfs/dbraw/zinc/59/26/22/876592622.db2.gz GCKAVACOPDOHEL-UHFFFAOYSA-N 0 0 415.471 4.003 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(Cl)cccc1I ZINC000463637587 876755568 /nfs/dbraw/zinc/75/55/68/876755568.db2.gz FEGNIOLOABPUEC-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN CN(Cc1cccc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463669733 876790884 /nfs/dbraw/zinc/79/08/84/876790884.db2.gz NRFZVKVBKZKGMO-UHFFFAOYSA-N 0 0 407.451 4.117 20 5 HIBDRN Cn1cc(Nc2cccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])c2)cn1 ZINC000468998804 883065458 /nfs/dbraw/zinc/06/54/58/883065458.db2.gz OPIFLCJJUYEXAL-UHFFFAOYSA-N 0 0 415.837 4.133 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000463684225 876805919 /nfs/dbraw/zinc/80/59/19/876805919.db2.gz OPCSQHOPPLVKAA-UHFFFAOYSA-N 0 0 402.712 4.306 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)cc([N+](=O)[O-])c1 ZINC000463694826 876814434 /nfs/dbraw/zinc/81/44/34/876814434.db2.gz FRAJHHCPVZUNIB-UHFFFAOYSA-N 0 0 409.373 4.198 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c2ncccc12 ZINC000463695635 876815540 /nfs/dbraw/zinc/81/55/40/876815540.db2.gz JVOUSYCOVJKKAD-INIZCTEOSA-N 0 0 417.874 4.322 20 5 HIBDRN COc1cccc(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)c1 ZINC000463698203 876818004 /nfs/dbraw/zinc/81/80/04/876818004.db2.gz BONGZPLCCPNVSN-CQSZACIVSA-N 0 0 423.391 4.021 20 5 HIBDRN Cc1noc(COc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)n1 ZINC000463715048 876834882 /nfs/dbraw/zinc/83/48/82/876834882.db2.gz LZJGENVQHLUVBM-UHFFFAOYSA-N 0 0 422.319 4.136 20 5 HIBDRN Cn1nc2c(c1CNC(=O)Nc1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)CCCC2 ZINC000463738818 876859681 /nfs/dbraw/zinc/85/96/81/876859681.db2.gz YSQNGAZOTBAFEE-UHFFFAOYSA-N 0 0 421.457 4.321 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000463750246 876873819 /nfs/dbraw/zinc/87/38/19/876873819.db2.gz XRNKDKNBHVKLAL-NSHDSACASA-N 0 0 410.348 4.365 20 5 HIBDRN C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000463770790 876892815 /nfs/dbraw/zinc/89/28/15/876892815.db2.gz NADRBVFZKNSPFK-KRWDZBQOSA-N 0 0 412.204 4.008 20 5 HIBDRN CCc1nc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)nn1-c1ccccc1Cl ZINC000469011290 883080095 /nfs/dbraw/zinc/08/00/95/883080095.db2.gz MOFIKCPAAGIRSZ-UHFFFAOYSA-N 0 0 422.832 4.192 20 5 HIBDRN C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000463855914 876976517 /nfs/dbraw/zinc/97/65/17/876976517.db2.gz DWUVDNAXRNDGEM-INIZCTEOSA-N 0 0 421.428 4.462 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N(CCCOc1ccccc1)C1CCOCC1 ZINC000463860382 876980828 /nfs/dbraw/zinc/98/08/28/876980828.db2.gz NAWGKHDUBMKLLJ-UHFFFAOYSA-N 0 0 412.486 4.004 20 5 HIBDRN Cc1ccc(O[C@H](C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 ZINC000463939395 877058971 /nfs/dbraw/zinc/05/89/71/877058971.db2.gz WYDSKQQEOWSOPH-CYBMUJFWSA-N 0 0 412.364 4.042 20 5 HIBDRN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000463941537 877061876 /nfs/dbraw/zinc/06/18/76/877061876.db2.gz UMDGMZWZHPKVKK-UHFFFAOYSA-N 0 0 406.364 4.027 20 5 HIBDRN C[S@@](=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000464012421 877148315 /nfs/dbraw/zinc/14/83/15/877148315.db2.gz MRSDYNDOCPFDEH-HHHXNRCGSA-N 0 0 418.418 4.082 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000464028729 877163319 /nfs/dbraw/zinc/16/33/19/877163319.db2.gz XEBKTTPGKAJRLW-FQEVSTJZSA-N 0 0 420.469 4.385 20 5 HIBDRN Cc1c(C(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000464040959 877179011 /nfs/dbraw/zinc/17/90/11/877179011.db2.gz OXQWFOQUYXBRAG-SFTDATJTSA-N 0 0 419.485 4.201 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000464041184 877180095 /nfs/dbraw/zinc/18/00/95/877180095.db2.gz MWSZOLVTROWOPM-AWEZNQCLSA-N 0 0 424.482 4.151 20 5 HIBDRN Cc1c(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000464040956 877180157 /nfs/dbraw/zinc/18/01/57/877180157.db2.gz OXQWFOQUYXBRAG-LEWJYISDSA-N 0 0 419.485 4.201 20 5 HIBDRN O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000464046847 877188255 /nfs/dbraw/zinc/18/82/55/877188255.db2.gz KROCMCWMLOAIIG-UHFFFAOYSA-N 0 0 403.316 4.472 20 5 HIBDRN CCC[C@H](NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(F)cc1F ZINC000464052351 877194032 /nfs/dbraw/zinc/19/40/32/877194032.db2.gz XSSRZHMDMYDHEC-INIZCTEOSA-N 0 0 405.401 4.086 20 5 HIBDRN CCC[C@@H](NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(F)cc1F ZINC000464052352 877194435 /nfs/dbraw/zinc/19/44/35/877194435.db2.gz XSSRZHMDMYDHEC-MRXNPFEDSA-N 0 0 405.401 4.086 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC000464055164 877199318 /nfs/dbraw/zinc/19/93/18/877199318.db2.gz RTMGSHNDJRMSRM-UHFFFAOYSA-N 0 0 409.486 4.167 20 5 HIBDRN Cc1n[nH]c(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1[N+](=O)[O-] ZINC000464077386 877228039 /nfs/dbraw/zinc/22/80/39/877228039.db2.gz QMEFERQVZNTTSX-OAHLLOKOSA-N 0 0 409.446 4.382 20 5 HIBDRN Cc1cc(N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)ccn1 ZINC000464164663 877330097 /nfs/dbraw/zinc/33/00/97/877330097.db2.gz QXAQDGIXFONLCU-UHFFFAOYSA-N 0 0 406.229 4.067 20 5 HIBDRN CCCN(CCc1cccs1)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000464193348 877363112 /nfs/dbraw/zinc/36/31/12/877363112.db2.gz WULNNMRDSFRRBQ-UHFFFAOYSA-N 0 0 414.430 4.361 20 5 HIBDRN CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000464201951 877372084 /nfs/dbraw/zinc/37/20/84/877372084.db2.gz VZZLGDIZSVGWKC-ABAIWWIYSA-N 0 0 416.259 4.240 20 5 HIBDRN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000464201953 877372791 /nfs/dbraw/zinc/37/27/91/877372791.db2.gz VZZLGDIZSVGWKC-NHYWBVRUSA-N 0 0 416.259 4.240 20 5 HIBDRN C[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])Sc1ccccc1 ZINC000464275203 877460955 /nfs/dbraw/zinc/46/09/55/877460955.db2.gz XPVKBRFJNCVPBE-LBPRGKRZSA-N 0 0 414.405 4.447 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000464323211 877513763 /nfs/dbraw/zinc/51/37/63/877513763.db2.gz FLTFUCLDOMHNSD-UHFFFAOYSA-N 0 0 423.494 4.325 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](CSc2ccccc2)C1 ZINC000464333778 877524935 /nfs/dbraw/zinc/52/49/35/877524935.db2.gz KFXLISZDJYKLCV-INIZCTEOSA-N 0 0 408.483 4.035 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464350248 877542171 /nfs/dbraw/zinc/54/21/71/877542171.db2.gz FXTIUWRKMZGJNS-DLBZAZTESA-N 0 0 420.387 4.186 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](CSc2ccccc2)C1 ZINC000464354884 877549649 /nfs/dbraw/zinc/54/96/49/877549649.db2.gz QQMXVUZKKXBQOJ-AWEZNQCLSA-N 0 0 409.467 4.103 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000464396439 877597434 /nfs/dbraw/zinc/59/74/34/877597434.db2.gz DUBRLIVUHGCBQD-KSMMKXTCSA-N 0 0 408.401 4.390 20 5 HIBDRN CN([C@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000464406943 877611403 /nfs/dbraw/zinc/61/14/03/877611403.db2.gz WUDCJFSNDJODBB-CQSZACIVSA-N 0 0 408.785 4.172 20 5 HIBDRN C[C@@H](Cc1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464414042 877620314 /nfs/dbraw/zinc/62/03/14/877620314.db2.gz ZJRHSOSZTYOPIN-ZDUSSCGKSA-N 0 0 419.890 4.048 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464453545 877671317 /nfs/dbraw/zinc/67/13/17/877671317.db2.gz BKFZOAOWOJQMIK-NSHDSACASA-N 0 0 410.927 4.478 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000464456163 877676352 /nfs/dbraw/zinc/67/63/52/877676352.db2.gz AVCICJVOBPBYPN-GFCCVEGCSA-N 0 0 400.818 4.124 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)c1 ZINC000464465571 877687927 /nfs/dbraw/zinc/68/79/27/877687927.db2.gz GWYWCCRKBQVMKX-UHFFFAOYSA-N 0 0 402.472 4.202 20 5 HIBDRN CSc1ccc(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000464490348 877709162 /nfs/dbraw/zinc/70/91/62/877709162.db2.gz YAAIGUWUMPNQSU-UHFFFAOYSA-N 0 0 402.472 4.202 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccs2)nn1C ZINC000464530278 877746996 /nfs/dbraw/zinc/74/69/96/877746996.db2.gz SQCIIDUZTAPXCK-UHFFFAOYSA-N 0 0 403.489 4.205 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@@H]1c1ccccc1 ZINC000464540485 877755955 /nfs/dbraw/zinc/75/59/55/877755955.db2.gz KHXHZXOSKYJGIY-ZBEGNZNMSA-N 0 0 422.222 4.033 20 5 HIBDRN Cc1cccc([C@@H]2CCCCN2C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1C ZINC000464580572 877804133 /nfs/dbraw/zinc/80/41/33/877804133.db2.gz AILPMLMSQLLKLX-NRFANRHFSA-N 0 0 405.458 4.160 20 5 HIBDRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000464599798 877827704 /nfs/dbraw/zinc/82/77/04/877827704.db2.gz AZFLZSXTLKMDAU-NRFANRHFSA-N 0 0 423.513 4.341 20 5 HIBDRN CSc1ccc(C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000464600369 877829208 /nfs/dbraw/zinc/82/92/08/877829208.db2.gz DBSMWLWJOWMKMC-LJQANCHMSA-N 0 0 414.527 4.489 20 5 HIBDRN COc1cc(CN2C[C@@H]3CCC(=O)c4cccc2c43)c([N+](=O)[O-])cc1OC(F)F ZINC000464624079 877842892 /nfs/dbraw/zinc/84/28/92/877842892.db2.gz PMXROIVKNGLVFA-NSHDSACASA-N 0 0 404.369 4.285 20 5 HIBDRN C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Oc1ccc(Cl)cc1 ZINC000464627770 877844585 /nfs/dbraw/zinc/84/45/85/877844585.db2.gz MEZSHGMTVWUFAE-OAHLLOKOSA-N 0 0 417.893 4.048 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464636805 877853710 /nfs/dbraw/zinc/85/37/10/877853710.db2.gz YFFNLZJKFTUIEO-VQTJNVASSA-N 0 0 400.862 4.422 20 5 HIBDRN Cc1ccc2nc(C)c(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2c1 ZINC000464639889 877858206 /nfs/dbraw/zinc/85/82/06/877858206.db2.gz WOZRXSZTZRTRQL-UHFFFAOYSA-N 0 0 405.454 4.443 20 5 HIBDRN COc1ccccc1CC(C)(C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464644998 877863251 /nfs/dbraw/zinc/86/32/51/877863251.db2.gz UQZFVOJKTLDVFU-UHFFFAOYSA-N 0 0 412.486 4.242 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2cc(Cl)ccc2O1 ZINC000464648489 877868963 /nfs/dbraw/zinc/86/89/63/877868963.db2.gz KCMZPVQDBXFCFP-SECBINFHSA-N 0 0 411.639 4.438 20 5 HIBDRN COc1cc(C(=O)Nc2cnc(C(F)(F)F)cc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000464655264 877876592 /nfs/dbraw/zinc/87/65/92/877876592.db2.gz FLVPZTYELKHUSB-UHFFFAOYSA-N 0 0 421.278 4.179 20 5 HIBDRN O=C(c1ccc(Br)c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464659582 877880879 /nfs/dbraw/zinc/88/08/79/877880879.db2.gz KXDMMMHOGRIYDH-UHFFFAOYSA-N 0 0 423.238 4.180 20 5 HIBDRN COc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12 ZINC000464662056 877882534 /nfs/dbraw/zinc/88/25/34/877882534.db2.gz RPQRNPYCCNJLIW-UHFFFAOYSA-N 0 0 406.438 4.440 20 5 HIBDRN O=C(CCOc1ccccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464662516 877883404 /nfs/dbraw/zinc/88/34/04/877883404.db2.gz MGSIRRIKPWBSCO-UHFFFAOYSA-N 0 0 404.850 4.087 20 5 HIBDRN CC(C)(C)c1noc2ncc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc21 ZINC000464664151 877884584 /nfs/dbraw/zinc/88/45/84/877884584.db2.gz OGKUGRMXKWYMAF-UHFFFAOYSA-N 0 0 424.457 4.112 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000464708694 877932550 /nfs/dbraw/zinc/93/25/50/877932550.db2.gz IFDCSBBVLRHPCH-CQSZACIVSA-N 0 0 422.407 4.426 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000464712115 877936177 /nfs/dbraw/zinc/93/61/77/877936177.db2.gz OILPBCPELNRCJR-LJQANCHMSA-N 0 0 400.862 4.381 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000464719116 877945799 /nfs/dbraw/zinc/94/57/99/877945799.db2.gz OSQKXVGEHPVMIF-REWPJTCUSA-N 0 0 423.513 4.401 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000464721630 877950535 /nfs/dbraw/zinc/95/05/35/877950535.db2.gz YGPGXNBQIOXMOM-UHFFFAOYSA-N 0 0 416.480 4.304 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000464724432 877955714 /nfs/dbraw/zinc/95/57/14/877955714.db2.gz RVKMZRWANOCZRD-UHFFFAOYSA-N 0 0 424.310 4.199 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000464724855 877956057 /nfs/dbraw/zinc/95/60/57/877956057.db2.gz UFMJSQZSYZBKSL-UHFFFAOYSA-N 0 0 412.396 4.362 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(OC)c(Br)c1 ZINC000464725168 877957282 /nfs/dbraw/zinc/95/72/82/877957282.db2.gz VNDIRWXWBRVVHX-UHFFFAOYSA-N 0 0 407.264 4.500 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1 ZINC000464769984 878011880 /nfs/dbraw/zinc/01/18/80/878011880.db2.gz BBMCONSCEFJLML-HNNXBMFYSA-N 0 0 417.893 4.427 20 5 HIBDRN COc1cc(NC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)c(OC)cc1Cl ZINC000464797877 878042133 /nfs/dbraw/zinc/04/21/33/878042133.db2.gz YOBQYDPBZBZAQV-UHFFFAOYSA-N 0 0 416.817 4.436 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)cc1OC ZINC000464801104 878042575 /nfs/dbraw/zinc/04/25/75/878042575.db2.gz ZDDBUTHPOXATDO-HNNXBMFYSA-N 0 0 424.453 4.412 20 5 HIBDRN COc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000503328181 912307190 /nfs/dbraw/zinc/30/71/90/912307190.db2.gz HJBCPXFXMFKXEV-ZDUSSCGKSA-N 0 0 404.850 4.406 20 5 HIBDRN C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](c2ccco2)C1 ZINC000464853067 878131423 /nfs/dbraw/zinc/13/14/23/878131423.db2.gz SDYKTZDTWFSBFY-LRDDRELGSA-N 0 0 422.279 4.362 20 5 HIBDRN Cc1cccc(Oc2cc(CNC(=O)COc3ccccc3[N+](=O)[O-])ccn2)c1C ZINC000464881763 878175674 /nfs/dbraw/zinc/17/56/74/878175674.db2.gz CVZTXAQDELDJBE-UHFFFAOYSA-N 0 0 407.426 4.094 20 5 HIBDRN Cc1ccc(OC(F)F)c(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000465023834 878388333 /nfs/dbraw/zinc/38/83/33/878388333.db2.gz PPBWBQMIMVBOLT-LLVKDONJSA-N 0 0 414.792 4.242 20 5 HIBDRN CC(C)COc1ccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl ZINC000465027255 878391875 /nfs/dbraw/zinc/39/18/75/878391875.db2.gz NYDUPZGVFAELDV-UHFFFAOYSA-N 0 0 420.849 4.235 20 5 HIBDRN CCCc1n[nH]c(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c1[N+](=O)[O-] ZINC000465047108 878410220 /nfs/dbraw/zinc/41/02/20/878410220.db2.gz QRDBXDFEMAZHKJ-UHFFFAOYSA-N 0 0 423.203 4.109 20 5 HIBDRN COc1ccc(OC(F)F)c(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000465074022 878434183 /nfs/dbraw/zinc/43/41/83/878434183.db2.gz BKHXEJFDHGWUIV-UHFFFAOYSA-N 0 0 420.290 4.154 20 5 HIBDRN C[C@H](c1ccccc1Cl)N(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000465073881 878434355 /nfs/dbraw/zinc/43/43/55/878434355.db2.gz JPOCNOPWEPXXSB-CYBMUJFWSA-N 0 0 416.861 4.314 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(=Cc2ccccc2F)CC1 ZINC000465101004 878473175 /nfs/dbraw/zinc/47/31/75/878473175.db2.gz FSNFAJWHRSICLB-UHFFFAOYSA-N 0 0 406.417 4.239 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000465137910 878520761 /nfs/dbraw/zinc/52/07/61/878520761.db2.gz VSEQZIYBHYZOQS-CQSZACIVSA-N 0 0 423.252 4.019 20 5 HIBDRN O=C(c1cc(Oc2ccccc2)ccn1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465143733 878524943 /nfs/dbraw/zinc/52/49/43/878524943.db2.gz CXIBNOLJFYDELX-UHFFFAOYSA-N 0 0 419.437 4.466 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000465203795 878609979 /nfs/dbraw/zinc/60/99/79/878609979.db2.gz FVWWSIBIBSXJQV-KBPBESRZSA-N 0 0 414.849 4.079 20 5 HIBDRN CCOC(=O)c1sc([C@@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)nc1C ZINC000465243633 878665052 /nfs/dbraw/zinc/66/50/52/878665052.db2.gz VCQMWELBUBDDBM-GFCCVEGCSA-N 0 0 406.464 4.036 20 5 HIBDRN CO[C@]1(C)C[C@@H](NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1(C)C ZINC000465265085 878694107 /nfs/dbraw/zinc/69/41/07/878694107.db2.gz MLXVEDFVMQSWPC-BPSNYSSFSA-N 0 0 412.490 4.096 20 5 HIBDRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000465297301 878740226 /nfs/dbraw/zinc/74/02/26/878740226.db2.gz UIBMLTWSHWCERT-UHFFFAOYSA-N 0 0 409.442 4.072 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000465346775 878780992 /nfs/dbraw/zinc/78/09/92/878780992.db2.gz XPHPVDPPKKMSSU-UHFFFAOYSA-N 0 0 417.824 4.032 20 5 HIBDRN O=C(NCCCn1ccc2ccccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465440914 878872997 /nfs/dbraw/zinc/87/29/97/878872997.db2.gz MFHIEWUQGQCOGS-UHFFFAOYSA-N 0 0 422.485 4.193 20 5 HIBDRN O=C(N[C@@H](c1cccs1)C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465495122 878935346 /nfs/dbraw/zinc/93/53/46/878935346.db2.gz QJGRMNGBYSQZAH-LJQANCHMSA-N 0 0 401.488 4.360 20 5 HIBDRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000465629487 879139627 /nfs/dbraw/zinc/13/96/27/879139627.db2.gz BEERUWKXQXONOA-PGRDOPGGSA-N 0 0 411.502 4.398 20 5 HIBDRN COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465633613 879146621 /nfs/dbraw/zinc/14/66/21/879146621.db2.gz PWGPGGRKVAAULJ-MRXNPFEDSA-N 0 0 413.474 4.226 20 5 HIBDRN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000503428242 912426203 /nfs/dbraw/zinc/42/62/03/912426203.db2.gz KSCCNCKUCHAYOS-UHFFFAOYSA-N 0 0 419.268 4.497 20 5 HIBDRN C[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000465724353 879301275 /nfs/dbraw/zinc/30/12/75/879301275.db2.gz NMQPOKLHKGXTFD-OAHLLOKOSA-N 0 0 401.438 4.090 20 5 HIBDRN Cc1cccc(C(C)(C)CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000465795119 879403864 /nfs/dbraw/zinc/40/38/64/879403864.db2.gz VLULIXIUPJYUDX-UHFFFAOYSA-N 0 0 411.502 4.434 20 5 HIBDRN Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465854354 879499631 /nfs/dbraw/zinc/49/96/31/879499631.db2.gz HVMJPOUWCZQPON-UHFFFAOYSA-N 0 0 422.485 4.180 20 5 HIBDRN Cc1sc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc1C(C)C ZINC000465876996 879529520 /nfs/dbraw/zinc/52/95/20/879529520.db2.gz MRTUSSKNRVQWLR-UHFFFAOYSA-N 0 0 418.519 4.236 20 5 HIBDRN COc1cc(Cl)ccc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465911083 879573940 /nfs/dbraw/zinc/57/39/40/879573940.db2.gz QFAPQFBYENUCAG-UHFFFAOYSA-N 0 0 419.865 4.010 20 5 HIBDRN CC(C)(CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 ZINC000465940194 879607428 /nfs/dbraw/zinc/60/74/28/879607428.db2.gz YDQWLIDVVCHQGE-UHFFFAOYSA-N 0 0 403.504 4.187 20 5 HIBDRN Cc1ccc(CN(Cc2ccco2)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000503455364 912480108 /nfs/dbraw/zinc/48/01/08/912480108.db2.gz 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CCOc1cc(NC(=O)N[C@@H](C)c2c(F)cccc2OC)c([N+](=O)[O-])cc1OCC ZINC000466123117 879837480 /nfs/dbraw/zinc/83/74/80/879837480.db2.gz MYWQZXPXVLBNNW-LBPRGKRZSA-N 0 0 421.425 4.423 20 5 HIBDRN CCOc1cc(NC(=O)NC[C@@H](C)Oc2ccccc2F)c([N+](=O)[O-])cc1OCC ZINC000466163959 879866844 /nfs/dbraw/zinc/86/68/44/879866844.db2.gz JIUXHVWHWYDDSI-CYBMUJFWSA-N 0 0 421.425 4.120 20 5 HIBDRN O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccc([N+](=O)[O-])cc1F ZINC000466246689 879960744 /nfs/dbraw/zinc/96/07/44/879960744.db2.gz IVSKSTWUYJOJRG-CQSZACIVSA-N 0 0 411.458 4.393 20 5 HIBDRN Cn1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 ZINC000466246096 879960755 /nfs/dbraw/zinc/96/07/55/879960755.db2.gz IVJCGOOZELAOAR-UHFFFAOYSA-N 0 0 402.863 4.063 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cnn(Cc2ccccc2Cl)c1 ZINC000466264246 879994101 /nfs/dbraw/zinc/99/41/01/879994101.db2.gz CMPOSUCXYUKHJX-UHFFFAOYSA-N 0 0 405.241 4.076 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1(c2ccc(Br)cc2)CC1 ZINC000466282697 880023116 /nfs/dbraw/zinc/02/31/16/880023116.db2.gz HLNPVTRYDDWQTH-UHFFFAOYSA-N 0 0 409.667 4.359 20 5 HIBDRN COc1ccc(C2(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCCC2)cc1OC ZINC000466283664 880025273 /nfs/dbraw/zinc/02/52/73/880025273.db2.gz SHEBWBRFARPVIR-UHFFFAOYSA-N 0 0 418.877 4.394 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000466284404 880026573 /nfs/dbraw/zinc/02/65/73/880026573.db2.gz ADEGQVXCBKNKRN-GFCCVEGCSA-N 0 0 408.252 4.255 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000466284405 880026867 /nfs/dbraw/zinc/02/68/67/880026867.db2.gz ADEGQVXCBKNKRN-LBPRGKRZSA-N 0 0 408.252 4.255 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1(c2cccc(Br)c2)CC1 ZINC000466287169 880031062 /nfs/dbraw/zinc/03/10/62/880031062.db2.gz IOPJMEWEYNBZRM-UHFFFAOYSA-N 0 0 409.667 4.359 20 5 HIBDRN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466290456 880035140 /nfs/dbraw/zinc/03/51/40/880035140.db2.gz QYPVULXCPKPWCL-UHFFFAOYSA-N 0 0 421.240 4.201 20 5 HIBDRN O=C(Cc1cccc(OCc2cccnc2)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466293600 880039713 /nfs/dbraw/zinc/03/97/13/880039713.db2.gz OWFWMAXOTYHCPG-UHFFFAOYSA-N 0 0 411.845 4.081 20 5 HIBDRN CCOc1c(Cl)cc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1Cl ZINC000466295909 880042704 /nfs/dbraw/zinc/04/27/04/880042704.db2.gz IDFXMGGJAMQIJM-UHFFFAOYSA-N 0 0 415.229 4.326 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000466320332 880074237 /nfs/dbraw/zinc/07/42/37/880074237.db2.gz ZPBRQAFJTVWEJT-INIZCTEOSA-N 0 0 412.776 4.063 20 5 HIBDRN Cc1ncc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000466434716 880209710 /nfs/dbraw/zinc/20/97/10/880209710.db2.gz MDFGVSDEBQQEKM-UHFFFAOYSA-N 0 0 403.442 4.435 20 5 HIBDRN CC(C)(C)Nc1ccccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000466443951 880219236 /nfs/dbraw/zinc/21/92/36/880219236.db2.gz OZVKCGYHGFZEEE-UHFFFAOYSA-N 0 0 412.446 4.132 20 5 HIBDRN COc1ccc(C(C)(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC ZINC000466454801 880234270 /nfs/dbraw/zinc/23/42/70/880234270.db2.gz KYAZMZLWZMEGRW-UHFFFAOYSA-N 0 0 410.373 4.130 20 5 HIBDRN COc1ccc(Cn2nc(C)c(CNCc3ccc([N+](=O)[O-])cc3Cl)c2C)cc1 ZINC000466462716 880243784 /nfs/dbraw/zinc/24/37/84/880243784.db2.gz MBJNFIPGSSORDP-UHFFFAOYSA-N 0 0 414.893 4.408 20 5 HIBDRN O=C(COc1ccccc1NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccnc1 ZINC000466474702 880257490 /nfs/dbraw/zinc/25/74/90/880257490.db2.gz QCPVHLKHABJHMC-UHFFFAOYSA-N 0 0 412.833 4.273 20 5 HIBDRN Cc1c(Br)c(N2CCO[C@H](c3cccc(Cl)c3)C2)ncc1[N+](=O)[O-] ZINC000466499723 880275725 /nfs/dbraw/zinc/27/57/25/880275725.db2.gz NFBGHMHALSJLSA-AWEZNQCLSA-N 0 0 412.671 4.292 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 ZINC000466505158 880280745 /nfs/dbraw/zinc/28/07/45/880280745.db2.gz KDANPPBBFILREJ-UHFFFAOYSA-N 0 0 413.474 4.364 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)c2cccc(OC)c2)cc1 ZINC000466512807 880287366 /nfs/dbraw/zinc/28/73/66/880287366.db2.gz GFPMSNBWKTZYAJ-UHFFFAOYSA-N 0 0 420.421 4.485 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1 ZINC000466519364 880295721 /nfs/dbraw/zinc/29/57/21/880295721.db2.gz OGQONYNCJAFKGD-UHFFFAOYSA-N 0 0 417.425 4.288 20 5 HIBDRN O=C(NCc1ccc(Br)s1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466568959 880344887 /nfs/dbraw/zinc/34/48/87/880344887.db2.gz YZZQGPSEWNVGPD-UHFFFAOYSA-N 0 0 404.673 4.072 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2F)cc([N+](=O)[O-])c1 ZINC000466576584 880353247 /nfs/dbraw/zinc/35/32/47/880353247.db2.gz WCQDZOIFDKBJHL-UHFFFAOYSA-N 0 0 401.177 4.470 20 5 HIBDRN Cc1sc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000466608055 880378067 /nfs/dbraw/zinc/37/80/67/880378067.db2.gz HEWKEGIVMCHNLQ-UHFFFAOYSA-N 0 0 400.287 4.234 20 5 HIBDRN Cc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(OC[C@H]2CCCO2)c1 ZINC000466640595 880413672 /nfs/dbraw/zinc/41/36/72/880413672.db2.gz MMRQFRWXDQXZLT-GOSISDBHSA-N 0 0 410.426 4.137 20 5 HIBDRN COC(=O)c1cccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1OC(C)C ZINC000466643423 880419370 /nfs/dbraw/zinc/41/93/70/880419370.db2.gz UQLHIFUWJMAGCL-LBPRGKRZSA-N 0 0 404.394 4.050 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)OC)c1OC(C)C ZINC000466652525 880428731 /nfs/dbraw/zinc/42/87/31/880428731.db2.gz YBNHPXYEZQCRKA-INIZCTEOSA-N 0 0 414.458 4.376 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(F)cccc1OC(F)F ZINC000466670299 880454719 /nfs/dbraw/zinc/45/47/19/880454719.db2.gz IOSAECOVLLWXNP-UHFFFAOYSA-N 0 0 411.380 4.456 20 5 HIBDRN COCc1ccc([C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)o1 ZINC000466672846 880459222 /nfs/dbraw/zinc/45/92/22/880459222.db2.gz QNKGXSPGIBMIDQ-INIZCTEOSA-N 0 0 423.263 4.003 20 5 HIBDRN CN(CCCOCc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000466746767 880528057 /nfs/dbraw/zinc/52/80/57/880528057.db2.gz AYJHJEIEYSPESK-UHFFFAOYSA-N 0 0 414.505 4.220 20 5 HIBDRN CN(CCn1cccn1)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466756665 880536552 /nfs/dbraw/zinc/53/65/52/880536552.db2.gz CYIMDBCQLUNVSK-UHFFFAOYSA-N 0 0 416.890 4.368 20 5 HIBDRN CCN(CC(=O)OC)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466864405 880631851 /nfs/dbraw/zinc/63/18/51/880631851.db2.gz KNOAEQFUJGTZQJ-UHFFFAOYSA-N 0 0 408.863 4.035 20 5 HIBDRN CCN(CC(=O)OC)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466866709 880634759 /nfs/dbraw/zinc/63/47/59/880634759.db2.gz UAIPNHVEFZLJRG-UHFFFAOYSA-N 0 0 408.863 4.035 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2Br)cc1OC ZINC000466873872 880641006 /nfs/dbraw/zinc/64/10/06/880641006.db2.gz SPMICXRFVRQENR-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc(F)ccc2Br)c([N+](=O)[O-])cc1OC ZINC000466906698 880672584 /nfs/dbraw/zinc/67/25/84/880672584.db2.gz RBNRPPKMJLVESD-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN Cc1ccc(-n2cc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cn2)c(C)c1 ZINC000466906170 880672694 /nfs/dbraw/zinc/67/26/94/880672694.db2.gz ZJOLCXGNHVBUAO-UHFFFAOYSA-N 0 0 402.458 4.410 20 5 HIBDRN C[C@@H](Nc1cccc2c1OCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000466991620 880803382 /nfs/dbraw/zinc/80/33/82/880803382.db2.gz JHCABYBGFPQBMA-LLVKDONJSA-N 0 0 409.364 4.378 20 5 HIBDRN CSc1ccc(F)cc1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000467013488 880817870 /nfs/dbraw/zinc/81/78/70/880817870.db2.gz KIHZKUIMJZDIMF-UHFFFAOYSA-N 0 0 420.853 4.267 20 5 HIBDRN O=C(Nc1cc(Br)c(F)cc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467018362 880821333 /nfs/dbraw/zinc/82/13/33/880821333.db2.gz IHSFNTYZXACXDS-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN O=C(Nc1cc(Br)c(F)cc1F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000467026322 880826792 /nfs/dbraw/zinc/82/67/92/880826792.db2.gz YNIBATVSURFAQL-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN O=C(Nc1cc(Br)c(F)cc1F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467030481 880829583 /nfs/dbraw/zinc/82/95/83/880829583.db2.gz BGVQPISTQCFCMM-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000467038687 880836403 /nfs/dbraw/zinc/83/64/03/880836403.db2.gz QFJXECQKVCCHLW-UHFFFAOYSA-N 0 0 421.419 4.455 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467060402 880847181 /nfs/dbraw/zinc/84/71/81/880847181.db2.gz RPHFMLDSPRIVRQ-UHFFFAOYSA-N 0 0 417.512 4.238 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)c1C ZINC000467062690 880847617 /nfs/dbraw/zinc/84/76/17/880847617.db2.gz HOFOTZOORFHAHC-INIZCTEOSA-N 0 0 420.487 4.011 20 5 HIBDRN Cc1sc(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000467064238 880848754 /nfs/dbraw/zinc/84/87/54/880848754.db2.gz MUKOQEAPFSRZEP-KRWDZBQOSA-N 0 0 423.903 4.081 20 5 HIBDRN O=C(C[C@H]1CCCCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000467076466 880851929 /nfs/dbraw/zinc/85/19/29/880851929.db2.gz VAUIEEZFGHWBSS-QGZVFWFLSA-N 0 0 422.528 4.004 20 5 HIBDRN COc1ccc(OC(F)F)c(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000467090263 880856724 /nfs/dbraw/zinc/85/67/24/880856724.db2.gz MPVKLMVBDJDZOM-UHFFFAOYSA-N 0 0 401.753 4.180 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000467101792 880863499 /nfs/dbraw/zinc/86/34/99/880863499.db2.gz ORRYDFPXCHIXOQ-QGZVFWFLSA-N 0 0 405.838 4.128 20 5 HIBDRN Cc1ccc(-n2cc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)cn2)c(C)c1 ZINC000467113321 880872194 /nfs/dbraw/zinc/87/21/94/880872194.db2.gz TWKWOZUAVQVDLT-UHFFFAOYSA-N 0 0 402.357 4.251 20 5 HIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000467195853 880925444 /nfs/dbraw/zinc/92/54/44/880925444.db2.gz NCWFCVOEVBWDIF-SFHVURJKSA-N 0 0 421.501 4.165 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000467215182 880945837 /nfs/dbraw/zinc/94/58/37/880945837.db2.gz GZZJVEHAQTUSBA-MRXNPFEDSA-N 0 0 403.822 4.024 20 5 HIBDRN Cc1ccc(OC2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000467219500 880950086 /nfs/dbraw/zinc/95/00/86/880950086.db2.gz UBVPHTISGPPRND-UHFFFAOYSA-N 0 0 403.866 4.310 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000467227063 880956415 /nfs/dbraw/zinc/95/64/15/880956415.db2.gz DFOOVJBBJDPADL-DLBZAZTESA-N 0 0 410.257 4.231 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000467228571 880958086 /nfs/dbraw/zinc/95/80/86/880958086.db2.gz IVBSNXACXJTUNS-QGZVFWFLSA-N 0 0 417.849 4.066 20 5 HIBDRN CO[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@@H]1C ZINC000467302603 881051681 /nfs/dbraw/zinc/05/16/81/881051681.db2.gz JFWCGFSLGHUIPP-KPOBHBOGSA-N 0 0 417.893 4.285 20 5 HIBDRN CCc1noc(-c2ccc(C)c(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000467345813 881099512 /nfs/dbraw/zinc/09/95/12/881099512.db2.gz IENAXZJQBNNPER-UHFFFAOYSA-N 0 0 415.837 4.491 20 5 HIBDRN Cc1sc(S(=O)(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000467403625 881190502 /nfs/dbraw/zinc/19/05/02/881190502.db2.gz IKXAPDXSWTUZLW-SECBINFHSA-N 0 0 408.423 4.365 20 5 HIBDRN Cc1c(NC(=O)CCN2CCc3c(Br)cccc3C2)cccc1[N+](=O)[O-] ZINC000503575441 912656624 /nfs/dbraw/zinc/65/66/24/912656624.db2.gz DSRJIKVKAFUZJE-UHFFFAOYSA-N 0 0 418.291 4.053 20 5 HIBDRN CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000503579310 912663405 /nfs/dbraw/zinc/66/34/05/912663405.db2.gz LRVHYRPBHHKIHZ-JOCHJYFZSA-N 0 0 419.481 4.403 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1C ZINC000469130512 883227073 /nfs/dbraw/zinc/22/70/73/883227073.db2.gz SGSPSRSTRKYRFL-UHFFFAOYSA-N 0 0 402.426 4.100 20 5 HIBDRN C[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000469155062 883252884 /nfs/dbraw/zinc/25/28/84/883252884.db2.gz NAOLWVXCNQYMMW-SJCJKPOMSA-N 0 0 416.279 4.190 20 5 HIBDRN COc1cc(S(=O)(=O)N(C2CC2)C2CC(c3ccccc3C)C2)ccc1[N+](=O)[O-] ZINC000469183823 883284142 /nfs/dbraw/zinc/28/41/42/883284142.db2.gz QXUOGPMWJYMPAC-UHFFFAOYSA-N 0 0 416.499 4.011 20 5 HIBDRN O=C(C[C@H]1CCCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000469257935 883355585 /nfs/dbraw/zinc/35/55/85/883355585.db2.gz VIHCMIZAGZQAAD-QGZVFWFLSA-N 0 0 422.441 4.031 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000469369014 883492882 /nfs/dbraw/zinc/49/28/82/883492882.db2.gz HGQAYDUUBNKPAA-UHFFFAOYSA-N 0 0 404.413 4.367 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000469370854 883495090 /nfs/dbraw/zinc/49/50/90/883495090.db2.gz GDWAUNAWNZLQFI-CQSZACIVSA-N 0 0 422.453 4.131 20 5 HIBDRN C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000469409127 883579298 /nfs/dbraw/zinc/57/92/98/883579298.db2.gz AMHOVOMMJOLJBU-AWEZNQCLSA-N 0 0 401.438 4.126 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000469437967 883626402 /nfs/dbraw/zinc/62/64/02/883626402.db2.gz FMSOUMKQFINIDJ-GFCCVEGCSA-N 0 0 418.421 4.031 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469450732 883651412 /nfs/dbraw/zinc/65/14/12/883651412.db2.gz SXFHTMSOMKAJEI-UHFFFAOYSA-N 0 0 405.401 4.368 20 5 HIBDRN Cc1ccc(CNc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000512373876 921113635 /nfs/dbraw/zinc/11/36/35/921113635.db2.gz AQXHNSFSJXXUTN-UHFFFAOYSA-N 0 0 411.483 4.340 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)C2 ZINC000469455966 883663928 /nfs/dbraw/zinc/66/39/28/883663928.db2.gz ASEDMCUSMLZFCP-HSZRJFAPSA-N 0 0 402.450 4.472 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)cc1Br ZINC000469498430 883743045 /nfs/dbraw/zinc/74/30/45/883743045.db2.gz WVNVQLQXZYLRNT-UHFFFAOYSA-N 0 0 417.263 4.153 20 5 HIBDRN CCOc1cc(C(=O)NC[C@@H](Cc2ccccc2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000469523745 883793899 /nfs/dbraw/zinc/79/38/99/883793899.db2.gz NUGOUSFAIQKZQP-QGZVFWFLSA-N 0 0 400.475 4.247 20 5 HIBDRN NC(=O)c1ccc(CN2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000469528636 883800549 /nfs/dbraw/zinc/80/05/49/883800549.db2.gz GZTXOBSECSMRSX-QGZVFWFLSA-N 0 0 407.392 4.440 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000469559997 883814508 /nfs/dbraw/zinc/81/45/08/883814508.db2.gz GMDNNFZCKUGIQC-RNCFNFMXSA-N 0 0 414.293 4.011 20 5 HIBDRN COc1cc(CN[C@H](C)c2ccc(Br)cc2OC)c([N+](=O)[O-])cc1F ZINC000469756549 883921257 /nfs/dbraw/zinc/92/12/57/883921257.db2.gz MPBQTPBJOSHLDR-SNVBAGLBSA-N 0 0 413.243 4.364 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)s1 ZINC000469878222 884068559 /nfs/dbraw/zinc/06/85/59/884068559.db2.gz CXIUOBHPJCXHEO-UHFFFAOYSA-N 0 0 409.402 4.361 20 5 HIBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@H](O)C1CC1 ZINC000469893542 884083791 /nfs/dbraw/zinc/08/37/91/884083791.db2.gz OXIUTEDLKFRDEP-SKTWIKFTSA-N 0 0 423.494 4.022 20 5 HIBDRN CC(C)[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000469920079 884110804 /nfs/dbraw/zinc/11/08/04/884110804.db2.gz SJMUBNYQTDHDOJ-LBPRGKRZSA-N 0 0 404.332 4.409 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1CCC2(CCCCC2)CC1 ZINC000469941496 884136757 /nfs/dbraw/zinc/13/67/57/884136757.db2.gz MBNFOCXXZZYDJS-UHFFFAOYSA-N 0 0 415.490 4.292 20 5 HIBDRN CC(C)(C)OC1CC(CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000469986373 884201443 /nfs/dbraw/zinc/20/14/43/884201443.db2.gz YJYSUDVXFNNOST-UHFFFAOYSA-N 0 0 403.504 4.432 20 5 HIBDRN C[C@H](CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(=O)c1cccc(F)c1 ZINC000470004425 884220480 /nfs/dbraw/zinc/22/04/80/884220480.db2.gz YKNSJUBSHCTDAT-OAHLLOKOSA-N 0 0 414.433 4.013 20 5 HIBDRN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)cc1[N+](=O)[O-] ZINC000470028761 884257445 /nfs/dbraw/zinc/25/74/45/884257445.db2.gz NZTTZINZKLCGNG-UHFFFAOYSA-N 0 0 407.451 4.332 20 5 HIBDRN Cc1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1Br ZINC000470031657 884263325 /nfs/dbraw/zinc/26/33/25/884263325.db2.gz RQLLSROVVUACKW-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1Br ZINC000470038242 884277346 /nfs/dbraw/zinc/27/73/46/884277346.db2.gz JISCZRYLEWJRRO-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)[C@H]1C ZINC000470075057 884331211 /nfs/dbraw/zinc/33/12/11/884331211.db2.gz LCVKUXAEJVFARD-YOEHRIQHSA-N 0 0 414.483 4.078 20 5 HIBDRN CC(C)Nc1ccc(Br)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000470084763 884342585 /nfs/dbraw/zinc/34/25/85/884342585.db2.gz XBDODKJXWVABAC-UHFFFAOYSA-N 0 0 408.252 4.195 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc(F)ccc1OC(F)F ZINC000470098949 884356976 /nfs/dbraw/zinc/35/69/76/884356976.db2.gz XHVWKYAFSMGFJN-UHFFFAOYSA-N 0 0 419.153 4.279 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCOc3c(Br)cccc32)cccc1[N+](=O)[O-] ZINC000503752744 912815849 /nfs/dbraw/zinc/81/58/49/912815849.db2.gz AVCJLLSMDWHMND-CQSZACIVSA-N 0 0 406.236 4.311 20 5 HIBDRN CC(C)Nc1ccc(Br)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000470107723 884367031 /nfs/dbraw/zinc/36/70/31/884367031.db2.gz NHYQOMQLMCCOMH-UHFFFAOYSA-N 0 0 421.295 4.253 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cccc(OCCF)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000470107734 884367226 /nfs/dbraw/zinc/36/72/26/884367226.db2.gz NJVOQOVNAZZUEF-UHFFFAOYSA-N 0 0 412.421 4.057 20 5 HIBDRN CC(C)Nc1ccc(Br)cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000470115043 884374887 /nfs/dbraw/zinc/37/48/87/884374887.db2.gz WZRBIOVFKLDJRK-UHFFFAOYSA-N 0 0 407.268 4.228 20 5 HIBDRN CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000470115477 884375422 /nfs/dbraw/zinc/37/54/22/884375422.db2.gz ZEPIVXNWHIIHMQ-HOTGVXAUSA-N 0 0 414.220 4.163 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000470116050 884376407 /nfs/dbraw/zinc/37/64/07/884376407.db2.gz RYRVZUFKMDXOLI-MRXNPFEDSA-N 0 0 424.423 4.259 20 5 HIBDRN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470127252 884390563 /nfs/dbraw/zinc/39/05/63/884390563.db2.gz XYTCPFLYYVKUFM-UHFFFAOYSA-N 0 0 400.341 4.382 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccnc(OC2CCCCC2)c1 ZINC000503776147 912821073 /nfs/dbraw/zinc/82/10/73/912821073.db2.gz RBHHHVDTLQDWGO-UHFFFAOYSA-N 0 0 401.488 4.110 20 5 HIBDRN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000503777389 912822261 /nfs/dbraw/zinc/82/22/61/912822261.db2.gz LXJBAJWFHDIRJW-UHFFFAOYSA-N 0 0 414.849 4.278 20 5 HIBDRN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470151445 884419674 /nfs/dbraw/zinc/41/96/74/884419674.db2.gz MJJJPRQDYTUQNH-UHFFFAOYSA-N 0 0 415.208 4.143 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccccc2Br)c1 ZINC000470162977 884437904 /nfs/dbraw/zinc/43/79/04/884437904.db2.gz MRIQJADCFBSSRN-NSHDSACASA-N 0 0 409.305 4.440 20 5 HIBDRN Cc1c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cnn1C1CCCC1 ZINC000470164094 884439716 /nfs/dbraw/zinc/43/97/16/884439716.db2.gz QYGBLTZTSCZIDJ-UHFFFAOYSA-N 0 0 412.368 4.408 20 5 HIBDRN C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000470171729 884452422 /nfs/dbraw/zinc/45/24/22/884452422.db2.gz NUIIGLVNJCPJHU-KXBFYZLASA-N 0 0 403.504 4.151 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(CCOc2ccccc2Cl)CC1 ZINC000470178237 884461178 /nfs/dbraw/zinc/46/11/78/884461178.db2.gz JDZXPGRPQBYTFO-SDXDJHTJSA-N 0 0 415.921 4.348 20 5 HIBDRN COc1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1OC1CCCC1 ZINC000503800326 912827408 /nfs/dbraw/zinc/82/74/08/912827408.db2.gz ZKGKVLPQKLQNIU-UHFFFAOYSA-N 0 0 413.474 4.266 20 5 HIBDRN Cc1ccccc1-c1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n(C)n1 ZINC000470190473 884488844 /nfs/dbraw/zinc/48/88/44/884488844.db2.gz MUWBGYBYKOZAQT-UHFFFAOYSA-N 0 0 405.458 4.156 20 5 HIBDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000470197410 884506118 /nfs/dbraw/zinc/50/61/18/884506118.db2.gz ZWBSAMRLTIPOTG-CQSZACIVSA-N 0 0 414.462 4.406 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000470204879 884520614 /nfs/dbraw/zinc/52/06/14/884520614.db2.gz BOZXSHMKYZLRDG-PXNSSMCTSA-N 0 0 404.470 4.436 20 5 HIBDRN COc1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000503838730 912836950 /nfs/dbraw/zinc/83/69/50/912836950.db2.gz GQOLJQZMGMBZDB-GOSISDBHSA-N 0 0 411.845 4.366 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000470260904 884604495 /nfs/dbraw/zinc/60/44/95/884604495.db2.gz JECZFGRFVYIPBQ-NZQKXSOJSA-N 0 0 423.513 4.156 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000503878915 912849698 /nfs/dbraw/zinc/84/96/98/912849698.db2.gz VPIZUHISGXCGKT-HXUWFJFHSA-N 0 0 411.845 4.122 20 5 HIBDRN O=C(C[C@@H](c1cccs1)n1cccc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000503884084 912850742 /nfs/dbraw/zinc/85/07/42/912850742.db2.gz KVOBPBUCPWHLQU-KRWDZBQOSA-N 0 0 403.891 4.450 20 5 HIBDRN Cc1sc(NC(=O)CCc2cccc([N+](=O)[O-])c2)nc1-c1c[nH]c2ncccc12 ZINC000503898041 912856089 /nfs/dbraw/zinc/85/60/89/912856089.db2.gz RKSWCLJUBNLSOP-UHFFFAOYSA-N 0 0 407.455 4.474 20 5 HIBDRN C[C@@H](C(=O)N1CCn2c(cc3c2cccc3Cl)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470337720 884723265 /nfs/dbraw/zinc/72/32/65/884723265.db2.gz PCBKTNFKJSIJRH-GFCCVEGCSA-N 0 0 401.825 4.488 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000470347822 884737786 /nfs/dbraw/zinc/73/77/86/884737786.db2.gz XDRVGAVMDXDDCN-CYBMUJFWSA-N 0 0 422.453 4.241 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000503900389 912857153 /nfs/dbraw/zinc/85/71/53/912857153.db2.gz HDABWMCUZMVYOQ-GFCCVEGCSA-N 0 0 421.316 4.423 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCc2c(Br)cccc2C1 ZINC000503900011 912857297 /nfs/dbraw/zinc/85/72/97/912857297.db2.gz GEPOCPBFZGYVPL-UHFFFAOYSA-N 0 0 416.275 4.130 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CSc2ccc(Br)cc21 ZINC000470357956 884750322 /nfs/dbraw/zinc/75/03/22/884750322.db2.gz VSVRJJBSPCUTNK-AWEZNQCLSA-N 0 0 422.304 4.046 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000470375566 884773116 /nfs/dbraw/zinc/77/31/16/884773116.db2.gz OPAWWPIDWCTKAW-UHFFFAOYSA-N 0 0 410.411 4.267 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000470381431 884780007 /nfs/dbraw/zinc/78/00/07/884780007.db2.gz DCSZNEOMJRWMDR-LBPRGKRZSA-N 0 0 419.865 4.489 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCC3)cc2)cc1OC ZINC000470509415 884897789 /nfs/dbraw/zinc/89/77/89/884897789.db2.gz MDEDFBMCEWGUQH-UHFFFAOYSA-N 0 0 400.431 4.148 20 5 HIBDRN Cc1c(CC(=O)N[C@@H]2CSc3ccc(Br)cc32)cccc1[N+](=O)[O-] ZINC000470528365 884923748 /nfs/dbraw/zinc/92/37/48/884923748.db2.gz UZDHWHPKSITUEL-CQSZACIVSA-N 0 0 407.289 4.171 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CSc2ccc(Br)cc21 ZINC000470528593 884925341 /nfs/dbraw/zinc/92/53/41/884925341.db2.gz MXWSICSGUXEDQU-OAHLLOKOSA-N 0 0 407.289 4.253 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCOCc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000470631913 885057681 /nfs/dbraw/zinc/05/76/81/885057681.db2.gz JVYVSLCNVTZLFD-IRXDYDNUSA-N 0 0 409.486 4.254 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000470634960 885060303 /nfs/dbraw/zinc/06/03/03/885060303.db2.gz RYJZJTHWJBMKLD-SFHVURJKSA-N 0 0 413.865 4.214 20 5 HIBDRN COC(=O)c1nc([C@@H]2CCCN2C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)sc1C ZINC000470644078 885067607 /nfs/dbraw/zinc/06/76/07/885067607.db2.gz YJMQJXMOMZERFJ-AWEZNQCLSA-N 0 0 418.475 4.132 20 5 HIBDRN COc1ccc(-c2nc(C)c(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)s2)c(F)c1 ZINC000503986361 912897827 /nfs/dbraw/zinc/89/78/27/912897827.db2.gz MNLNBSCAKCBWTO-UHFFFAOYSA-N 0 0 413.430 4.377 20 5 HIBDRN COc1cc(C(=O)N2CCC(C)(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000470686839 885119771 /nfs/dbraw/zinc/11/97/71/885119771.db2.gz XRKOSQYGECUEBE-UHFFFAOYSA-N 0 0 418.877 4.459 20 5 HIBDRN C[C@H](C(=O)N1CCC[C@H](OCc2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470688212 885122059 /nfs/dbraw/zinc/12/20/59/885122059.db2.gz KMGGROAXXVEMCR-YOEHRIQHSA-N 0 0 404.413 4.184 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000470688444 885123402 /nfs/dbraw/zinc/12/34/02/885123402.db2.gz FTIGDLWLZLMOQY-MLGOLLRUSA-N 0 0 419.528 4.150 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000470708095 885146956 /nfs/dbraw/zinc/14/69/56/885146956.db2.gz SDZOUSVICNTWEQ-YSGRDPCXSA-N 0 0 411.433 4.146 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000470708753 885147053 /nfs/dbraw/zinc/14/70/53/885147053.db2.gz DGHUDKGEZJOYDI-VOZBZGINSA-N 0 0 400.406 4.198 20 5 HIBDRN C[C@@H](Cc1ccccc1Br)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000470739547 885198613 /nfs/dbraw/zinc/19/86/13/885198613.db2.gz BZGDTXMFPXHDES-NSHDSACASA-N 0 0 411.683 4.301 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000470830717 885319764 /nfs/dbraw/zinc/31/97/64/885319764.db2.gz JLIKNXKKTKQOFN-UHFFFAOYSA-N 0 0 411.458 4.308 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000470836472 885328159 /nfs/dbraw/zinc/32/81/59/885328159.db2.gz NEOXSJHGILMCAO-UHFFFAOYSA-N 0 0 402.457 4.249 20 5 HIBDRN Cc1cc(CCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc(C)c1O ZINC000470902730 885407071 /nfs/dbraw/zinc/40/70/71/885407071.db2.gz AJOGCWWPWRHSDE-UHFFFAOYSA-N 0 0 404.441 4.115 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000470931699 885436490 /nfs/dbraw/zinc/43/64/90/885436490.db2.gz LNIVOFAZJXALQL-SCLBCKFNSA-N 0 0 404.850 4.249 20 5 HIBDRN CSc1ccccc1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000471025924 885531599 /nfs/dbraw/zinc/53/15/99/885531599.db2.gz RBUPWSGRJQZGHP-UHFFFAOYSA-N 0 0 424.320 4.150 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000471036359 885544751 /nfs/dbraw/zinc/54/47/51/885544751.db2.gz ZFUMEDMQNPLGSP-PGRDOPGGSA-N 0 0 424.501 4.102 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2c1CN(c1nccs1)C2 ZINC000471049004 885560653 /nfs/dbraw/zinc/56/06/53/885560653.db2.gz UBSGPIUUXLSIOT-UHFFFAOYSA-N 0 0 410.455 4.223 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000471051227 885565881 /nfs/dbraw/zinc/56/58/81/885565881.db2.gz WVHOSTYRMPSKRY-UHFFFAOYSA-N 0 0 422.228 4.133 20 5 HIBDRN Cc1nc(N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000471064382 885581922 /nfs/dbraw/zinc/58/19/22/885581922.db2.gz ZWMFVVPYESPOBO-HXUWFJFHSA-N 0 0 415.446 4.042 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000471073073 885591838 /nfs/dbraw/zinc/59/18/38/885591838.db2.gz SQHYRKOZKWMIDK-UHFFFAOYSA-N 0 0 419.485 4.172 20 5 HIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504047220 912953163 /nfs/dbraw/zinc/95/31/63/912953163.db2.gz XRMIEQXSLYVDPR-UHFFFAOYSA-N 0 0 408.241 4.018 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C ZINC000471092185 885621347 /nfs/dbraw/zinc/62/13/47/885621347.db2.gz HCGUZWDGTONCSW-UHFFFAOYSA-N 0 0 408.414 4.482 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000471113769 885647995 /nfs/dbraw/zinc/64/79/95/885647995.db2.gz PXNCHAWOZYTICR-UHFFFAOYSA-N 0 0 419.437 4.176 20 5 HIBDRN O=C(c1cccc(-n2ccc(C(F)(F)F)n2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000471162581 885717787 /nfs/dbraw/zinc/71/77/87/885717787.db2.gz WJDJYWRLGSRGPX-UHFFFAOYSA-N 0 0 402.332 4.002 20 5 HIBDRN Cc1cccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)Cc2ccccn2)c1 ZINC000471175468 885737070 /nfs/dbraw/zinc/73/70/70/885737070.db2.gz BNCCFTZZXMTQKG-UHFFFAOYSA-N 0 0 404.470 4.248 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000504076479 912980418 /nfs/dbraw/zinc/98/04/18/912980418.db2.gz KUNUWFMRGOUKQA-UHFFFAOYSA-N 0 0 401.488 4.359 20 5 HIBDRN C[C@H](NC(=O)COc1c(Cl)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000471291144 885875533 /nfs/dbraw/zinc/87/55/33/885875533.db2.gz FZTYWZSQNIOEKF-JTQLQIEISA-N 0 0 413.655 4.267 20 5 HIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000471295935 885881891 /nfs/dbraw/zinc/88/18/91/885881891.db2.gz DKIHCZWNERZUCQ-INIZCTEOSA-N 0 0 420.849 4.008 20 5 HIBDRN CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000471310901 885901295 /nfs/dbraw/zinc/90/12/95/885901295.db2.gz QKESGWMEDAFEAJ-HXUWFJFHSA-N 0 0 405.882 4.046 20 5 HIBDRN Cc1c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cccc1NC(=O)N(C)C ZINC000471322435 885915028 /nfs/dbraw/zinc/91/50/28/885915028.db2.gz ASEWCIIWCJZBIX-UHFFFAOYSA-N 0 0 420.853 4.058 20 5 HIBDRN Cc1ccc([C@@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)c(C)c1 ZINC000471336900 885940296 /nfs/dbraw/zinc/94/02/96/885940296.db2.gz QBOKKWUBFNGPSV-HXUWFJFHSA-N 0 0 407.514 4.444 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)cc1[N+](=O)[O-] ZINC000471339821 885945739 /nfs/dbraw/zinc/94/57/39/885945739.db2.gz GNRPVTDTXKOSDK-UHFFFAOYSA-N 0 0 411.458 4.181 20 5 HIBDRN CCc1ccc(C(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)cc1[N+](=O)[O-] ZINC000471341453 885948466 /nfs/dbraw/zinc/94/84/66/885948466.db2.gz RFTRARLWWLQLEF-UHFFFAOYSA-N 0 0 407.426 4.283 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cccc1NC(=O)N(C)C ZINC000471350410 885964840 /nfs/dbraw/zinc/96/48/40/885964840.db2.gz FTIPAYFIAYZEBD-ZDUSSCGKSA-N 0 0 402.476 4.116 20 5 HIBDRN Cc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cccc1NC(=O)N(C)C ZINC000471362292 885989191 /nfs/dbraw/zinc/98/91/91/885989191.db2.gz NCAUHKRANYYFPV-UHFFFAOYSA-N 0 0 421.251 4.012 20 5 HIBDRN Cc1c(NC(=O)N(C)C)cccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000471366126 886001288 /nfs/dbraw/zinc/00/12/88/886001288.db2.gz LCKWEHTWLVKKTA-UHFFFAOYSA-N 0 0 413.478 4.439 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000471381762 886027649 /nfs/dbraw/zinc/02/76/49/886027649.db2.gz CXOWNBKJLHVYAI-LJQANCHMSA-N 0 0 413.380 4.419 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2-c2nnc(C)o2)cc1SC ZINC000471393448 886042686 /nfs/dbraw/zinc/04/26/86/886042686.db2.gz SZPDBDJCUADHCL-UHFFFAOYSA-N 0 0 418.406 4.075 20 5 HIBDRN CCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC000471453829 886130260 /nfs/dbraw/zinc/13/02/60/886130260.db2.gz WBLGPFIVANFZPC-MRXNPFEDSA-N 0 0 418.515 4.045 20 5 HIBDRN CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC000471462814 886144194 /nfs/dbraw/zinc/14/41/94/886144194.db2.gz QEMMRIJOTWZOHR-INIZCTEOSA-N 0 0 410.392 4.333 20 5 HIBDRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000471472191 886163757 /nfs/dbraw/zinc/16/37/57/886163757.db2.gz QYZQANOMXHWJSD-UKRRQHHQSA-N 0 0 403.276 4.451 20 5 HIBDRN CN1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2cc(Cl)ccc21 ZINC000471496412 886196562 /nfs/dbraw/zinc/19/65/62/886196562.db2.gz MLMKRDLGOIZDDZ-UHFFFAOYSA-N 0 0 417.896 4.291 20 5 HIBDRN Cn1cc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000471552515 886261497 /nfs/dbraw/zinc/26/14/97/886261497.db2.gz SRFDKGCNJGQOKT-FUHWJXTLSA-N 0 0 408.433 4.201 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000471557381 886266840 /nfs/dbraw/zinc/26/68/40/886266840.db2.gz SVCBJARHSJKTSL-UHFFFAOYSA-N 0 0 420.400 4.301 20 5 HIBDRN C[C@H](C(=O)NCC1(CCOCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000471564553 886272808 /nfs/dbraw/zinc/27/28/08/886272808.db2.gz XALCRPMMTHOZLW-INIZCTEOSA-N 0 0 400.450 4.341 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000471582164 886292782 /nfs/dbraw/zinc/29/27/82/886292782.db2.gz TVHJTWNRDVUFEI-UHFFFAOYSA-N 0 0 411.389 4.116 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@]4(C3)OCc3ccccc34)cc2[N+](=O)[O-])C1 ZINC000471614061 886330125 /nfs/dbraw/zinc/33/01/25/886330125.db2.gz KTUZWBFVSIRYJY-BXKMTCNYSA-N 0 0 421.497 4.103 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC000504127366 913032246 /nfs/dbraw/zinc/03/22/46/913032246.db2.gz GCLXNSBIAMOSIF-SJORKVTESA-N 0 0 420.469 4.360 20 5 HIBDRN COC(=O)C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000471620090 886337344 /nfs/dbraw/zinc/33/73/44/886337344.db2.gz IBKANEVXUORXKF-NRFANRHFSA-N 0 0 406.438 4.101 20 5 HIBDRN O=C(Nc1ccc(Oc2ccccn2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000504128366 913032868 /nfs/dbraw/zinc/03/28/68/913032868.db2.gz MEUWXPREMVCWLT-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN CC(C)(C)Oc1cccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000504179467 913063184 /nfs/dbraw/zinc/06/31/84/913063184.db2.gz BUBJNMMVUYHQHS-UHFFFAOYSA-N 0 0 415.493 4.043 20 5 HIBDRN Cn1c(COc2ccc([N+](=O)[O-])cc2Br)nnc1-c1ccc(Cl)cc1 ZINC000471873521 886653336 /nfs/dbraw/zinc/65/33/36/886653336.db2.gz DHVCGSAAKZTJJS-UHFFFAOYSA-N 0 0 423.654 4.385 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCCC3=O)cc2[N+](=O)[O-])CC1 ZINC000471904179 886686686 /nfs/dbraw/zinc/68/66/86/886686686.db2.gz ALNPSCMBOKTZRJ-RBUKOAKNSA-N 0 0 413.518 4.195 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000471905589 886690206 /nfs/dbraw/zinc/69/02/06/886690206.db2.gz MMEHJSAINYQUEM-UHFFFAOYSA-N 0 0 404.488 4.123 20 5 HIBDRN COc1ccc(CC2CCN(c3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CC2)cc1 ZINC000504189748 913072852 /nfs/dbraw/zinc/07/28/52/913072852.db2.gz SOSFKHVIVAYQRO-UHFFFAOYSA-N 0 0 411.502 4.201 20 5 HIBDRN O=[N+]([O-])c1c(NCc2cc(Br)ccc2OC(F)F)nc2sccn21 ZINC000504196932 913080686 /nfs/dbraw/zinc/08/06/86/913080686.db2.gz YGHRXWNNOXVSSB-UHFFFAOYSA-N 0 0 419.207 4.280 20 5 HIBDRN COc1cccc(C=C2CCN(C(=O)NCc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000471992342 886818671 /nfs/dbraw/zinc/81/86/71/886818671.db2.gz NOZQOXHNIFXLID-UHFFFAOYSA-N 0 0 411.458 4.001 20 5 HIBDRN CCc1ccc(C(=O)N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC000471995996 886822057 /nfs/dbraw/zinc/82/20/57/886822057.db2.gz SDUGVOGIPNHNNN-KRWDZBQOSA-N 0 0 424.501 4.140 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC=C(c2c(F)cccc2F)CC1 ZINC000472009589 886832274 /nfs/dbraw/zinc/83/22/74/886832274.db2.gz NASRAFUFBXOQOR-UHFFFAOYSA-N 0 0 413.424 4.403 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCSC[C@H]1c1nccs1 ZINC000472083152 886883737 /nfs/dbraw/zinc/88/37/37/886883737.db2.gz KXVSCNSESDTYMG-LBPRGKRZSA-N 0 0 403.407 4.000 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl ZINC000472212391 887012370 /nfs/dbraw/zinc/01/23/70/887012370.db2.gz CTHOSXMFUCPKNW-UHFFFAOYSA-N 0 0 419.268 4.390 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000472212674 887012632 /nfs/dbraw/zinc/01/26/32/887012632.db2.gz MODNSUIUZCFEST-UHFFFAOYSA-N 0 0 421.428 4.235 20 5 HIBDRN CCCOc1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(OC(F)F)c1 ZINC000472268152 887082831 /nfs/dbraw/zinc/08/28/31/887082831.db2.gz MBARMIZMTRTLSB-UHFFFAOYSA-N 0 0 423.416 4.327 20 5 HIBDRN COc1ccccc1[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])OC(C)C ZINC000472471967 887333886 /nfs/dbraw/zinc/33/38/86/887333886.db2.gz RVDLMQXEFUFWHC-INIZCTEOSA-N 0 0 410.268 4.339 20 5 HIBDRN COCC(C)(C)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000472476740 887339207 /nfs/dbraw/zinc/33/92/07/887339207.db2.gz IUMBTPZUEZNIGZ-UHFFFAOYSA-N 0 0 408.401 4.264 20 5 HIBDRN O=C(NCC1(C2CC2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000504283617 913137280 /nfs/dbraw/zinc/13/72/80/913137280.db2.gz GDVJPTQHJZXUHT-UHFFFAOYSA-N 0 0 417.512 4.052 20 5 HIBDRN CSc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1[N+](=O)[O-] ZINC000472548799 887429656 /nfs/dbraw/zinc/42/96/56/887429656.db2.gz OPCFXZLKBUGTDI-NSHDSACASA-N 0 0 416.434 4.305 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000472553845 887438224 /nfs/dbraw/zinc/43/82/24/887438224.db2.gz IAOVSTAZXYXLJJ-FQEVSTJZSA-N 0 0 407.401 4.189 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000472562897 887450693 /nfs/dbraw/zinc/45/06/93/887450693.db2.gz TYANJWLXFFVHSN-UHFFFAOYSA-N 0 0 407.401 4.017 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000472603973 887475049 /nfs/dbraw/zinc/47/50/49/887475049.db2.gz FGRKWBTXIUQLNI-GOSISDBHSA-N 0 0 419.840 4.374 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](C)CC3(C)C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000472634507 887499445 /nfs/dbraw/zinc/49/94/45/887499445.db2.gz CDZCMQZOVQWZKC-HUUCEWRRSA-N 0 0 401.507 4.116 20 5 HIBDRN CCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000472638563 887503201 /nfs/dbraw/zinc/50/32/01/887503201.db2.gz ZHUKDRZKOWFVAP-AWEZNQCLSA-N 0 0 402.422 4.281 20 5 HIBDRN CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472695930 887548674 /nfs/dbraw/zinc/54/86/74/887548674.db2.gz XYFMRJJUXIJLTI-IBGZPJMESA-N 0 0 413.449 4.280 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000504312106 913161551 /nfs/dbraw/zinc/16/15/51/913161551.db2.gz YEFVEXBEAGUFNO-GFCCVEGCSA-N 0 0 424.407 4.139 20 5 HIBDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000504317143 913162826 /nfs/dbraw/zinc/16/28/26/913162826.db2.gz AXHIRSWYAYAMOA-ZDUSSCGKSA-N 0 0 405.458 4.389 20 5 HIBDRN Cc1noc(CSc2ccc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)cc2)n1 ZINC000504318443 913164991 /nfs/dbraw/zinc/16/49/91/913164991.db2.gz MYYSTLNXOITUBM-LBPRGKRZSA-N 0 0 410.455 4.170 20 5 HIBDRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000504319207 913165066 /nfs/dbraw/zinc/16/50/66/913165066.db2.gz WYUDZMIOMPFYDB-LBPRGKRZSA-N 0 0 411.439 4.401 20 5 HIBDRN COc1ccccc1OCc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)o1 ZINC000504319172 913165334 /nfs/dbraw/zinc/16/53/34/913165334.db2.gz WKINENBNSVIWPL-AWEZNQCLSA-N 0 0 408.410 4.367 20 5 HIBDRN Cc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1I ZINC000504327915 913171728 /nfs/dbraw/zinc/17/17/28/913171728.db2.gz AXERZCAKPOKRCN-LLVKDONJSA-N 0 0 422.222 4.099 20 5 HIBDRN C[C@@H]1C[C@H](O)CN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000473009070 887839473 /nfs/dbraw/zinc/83/94/73/887839473.db2.gz LXBRKIXLIHBMJM-MNZZCWISSA-N 0 0 423.494 4.117 20 5 HIBDRN COc1cc(CNC(C)(C)c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OC(F)F ZINC000473152647 887933834 /nfs/dbraw/zinc/93/38/34/887933834.db2.gz QFFMQVQIBNVYOL-UHFFFAOYSA-N 0 0 420.416 4.116 20 5 HIBDRN C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000473174112 887953142 /nfs/dbraw/zinc/95/31/42/887953142.db2.gz NJUZIUZIRLPNTJ-JTQLQIEISA-N 0 0 416.787 4.341 20 5 HIBDRN Cc1ccccc1-n1nc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c2c1CCC2 ZINC000504373102 913200265 /nfs/dbraw/zinc/20/02/65/913200265.db2.gz ZFPGJQQHOUKHTN-HNNXBMFYSA-N 0 0 402.454 4.169 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000473244040 888011274 /nfs/dbraw/zinc/01/12/74/888011274.db2.gz KMRYUXCNYVPHNG-UHFFFAOYSA-N 0 0 403.357 4.439 20 5 HIBDRN O=C(C[C@H](c1cccs1)n1cccc1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000473306215 888055088 /nfs/dbraw/zinc/05/50/88/888055088.db2.gz LSDWKEYSIQYNLH-QGZVFWFLSA-N 0 0 407.455 4.466 20 5 HIBDRN CCCN(CCC)C(=O)c1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000504380610 913206613 /nfs/dbraw/zinc/20/66/13/913206613.db2.gz FCGNUJMHLLHUQG-MRXNPFEDSA-N 0 0 409.486 4.448 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000473355453 888079701 /nfs/dbraw/zinc/07/97/01/888079701.db2.gz LTPWUIWZFUMHAG-ZDUSSCGKSA-N 0 0 412.204 4.032 20 5 HIBDRN Cc1[nH]nc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000473413598 888131428 /nfs/dbraw/zinc/13/14/28/888131428.db2.gz QNFKUICLTVPNLZ-UHFFFAOYSA-N 0 0 408.201 4.373 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000473429128 888149994 /nfs/dbraw/zinc/14/99/94/888149994.db2.gz BMTPHECVOKKFTC-UHFFFAOYSA-N 0 0 418.291 4.479 20 5 HIBDRN O=C(c1ccc(Cl)cc1)N1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473516668 888248129 /nfs/dbraw/zinc/24/81/29/888248129.db2.gz DDRKLJBZFLEIPF-UHFFFAOYSA-N 0 0 410.861 4.149 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)[C@H](C)c1ccccc1 ZINC000473534093 888271323 /nfs/dbraw/zinc/27/13/23/888271323.db2.gz UQBDUWWKBWKLEN-NWDGAFQWSA-N 0 0 424.238 4.121 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)[C@@H](C)c1ccccc1 ZINC000473534092 888272171 /nfs/dbraw/zinc/27/21/71/888272171.db2.gz UQBDUWWKBWKLEN-NEPJUHHUSA-N 0 0 424.238 4.121 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCC[C@]3(CCCOC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000473550906 888289154 /nfs/dbraw/zinc/28/91/54/888289154.db2.gz PHXAGXSMVNJOGR-HXOBKFHXSA-N 0 0 424.501 4.196 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)cc(F)cc1[N+](=O)[O-] ZINC000473596624 888340323 /nfs/dbraw/zinc/34/03/23/888340323.db2.gz CGMWTLRKXWVBJX-UHFFFAOYSA-N 0 0 409.421 4.107 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000473656260 888405428 /nfs/dbraw/zinc/40/54/28/888405428.db2.gz AJHROPKEHXOAPQ-WBVHZDCISA-N 0 0 409.417 4.113 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)Nc3cc([N+](=O)[O-])ccc3OC)n2)cc1 ZINC000473694381 888468152 /nfs/dbraw/zinc/46/81/52/888468152.db2.gz XIZMVROAEZZREN-GFCCVEGCSA-N 0 0 411.418 4.099 20 5 HIBDRN Cc1cc(NC(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC000473772007 888571961 /nfs/dbraw/zinc/57/19/61/888571961.db2.gz HNMSJZZMAAFFCX-AWEZNQCLSA-N 0 0 404.417 4.092 20 5 HIBDRN Cc1cc(NC(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000473791664 888606657 /nfs/dbraw/zinc/60/66/57/888606657.db2.gz YUUIYMKBHFTQSB-MRXNPFEDSA-N 0 0 412.494 4.481 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCCCC(C)(C)CO)cc2[N+](=O)[O-])n1 ZINC000473910414 888787408 /nfs/dbraw/zinc/78/74/08/888787408.db2.gz FMBJXEAXYKGDDP-UHFFFAOYSA-N 0 0 409.533 4.039 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(Oc2ccc(Oc3ncc(Br)cn3)cc2)n1 ZINC000473917950 888800314 /nfs/dbraw/zinc/80/03/14/888800314.db2.gz ZVPCSNDWTVHXLK-UHFFFAOYSA-N 0 0 403.192 4.435 20 5 HIBDRN CCCCCOC1CN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000473968915 888836580 /nfs/dbraw/zinc/83/65/80/888836580.db2.gz JLBRIGUUYVRKFX-MRXNPFEDSA-N 0 0 412.490 4.194 20 5 HIBDRN COC(=O)COc1ccc(CN[C@H](C)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000473984501 888846659 /nfs/dbraw/zinc/84/66/59/888846659.db2.gz ABJYFPQBYPEADS-LLVKDONJSA-N 0 0 413.257 4.304 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H](OCc2ccccn2)C1 ZINC000473994074 888855079 /nfs/dbraw/zinc/85/50/79/888855079.db2.gz VFYIMHMMEBOLPW-HXUWFJFHSA-N 0 0 419.437 4.213 20 5 HIBDRN COC(=O)COc1ccc(CNc2cccc(N3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000474004917 888863813 /nfs/dbraw/zinc/86/38/13/888863813.db2.gz AXNBBNGRIUBHMO-UHFFFAOYSA-N 0 0 413.474 4.139 20 5 HIBDRN Cn1cc(CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2ccc(F)cc21 ZINC000474084813 888911546 /nfs/dbraw/zinc/91/15/46/888911546.db2.gz SLXRMPZCIYYDHS-UHFFFAOYSA-N 0 0 410.449 4.142 20 5 HIBDRN CCOc1ccc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000474227431 889068401 /nfs/dbraw/zinc/06/84/01/889068401.db2.gz CMLZTAYAPUQULM-YJYMSZOUSA-N 0 0 404.850 4.249 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000474237978 889084256 /nfs/dbraw/zinc/08/42/56/889084256.db2.gz WJNSICDXXNHOCJ-QGZVFWFLSA-N 0 0 422.441 4.261 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)cc1[N+](=O)[O-] ZINC000474260429 889117468 /nfs/dbraw/zinc/11/74/68/889117468.db2.gz UACANKWXHHHOMV-UHFFFAOYSA-N 0 0 402.414 4.099 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000474308762 889175171 /nfs/dbraw/zinc/17/51/71/889175171.db2.gz VGAWEQALDWHNJV-HNNXBMFYSA-N 0 0 421.862 4.305 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000474340534 889214398 /nfs/dbraw/zinc/21/43/98/889214398.db2.gz KHBPYMKWJRSYHD-GJZGRUSLSA-N 0 0 420.412 4.346 20 5 HIBDRN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000504563272 913335838 /nfs/dbraw/zinc/33/58/38/913335838.db2.gz KQNCRAREWSQOHX-HNNXBMFYSA-N 0 0 404.426 4.424 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000474507338 889369420 /nfs/dbraw/zinc/36/94/20/889369420.db2.gz DICYGNSCAVTRLR-OAUYIBNBSA-N 0 0 405.401 4.421 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000474508369 889370770 /nfs/dbraw/zinc/37/07/70/889370770.db2.gz CIXFEWYXPXSOQK-ABAIWWIYSA-N 0 0 412.273 4.304 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H](CO)c2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000474508372 889372727 /nfs/dbraw/zinc/37/27/27/889372727.db2.gz CIXFEWYXPXSOQK-XHDPSFHLSA-N 0 0 412.273 4.304 20 5 HIBDRN CN(CC(=O)Nc1cccnc1-c1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000474538080 889412654 /nfs/dbraw/zinc/41/26/54/889412654.db2.gz WSTRDZDLXGWEPY-UHFFFAOYSA-N 0 0 402.863 4.447 20 5 HIBDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccccc1[N+](=O)[O-] ZINC000474648866 889512461 /nfs/dbraw/zinc/51/24/61/889512461.db2.gz HYHFPCQSSHBKNH-YUSALJHKSA-N 0 0 410.293 4.335 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000474758963 889617567 /nfs/dbraw/zinc/61/75/67/889617567.db2.gz QVXNVARPMAVUSR-CQSZACIVSA-N 0 0 411.355 4.452 20 5 HIBDRN COC(=O)c1cc(N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc(C)c1[N+](=O)[O-] ZINC000474771914 889629008 /nfs/dbraw/zinc/62/90/08/889629008.db2.gz FDQLFGCIIVDOOJ-UHFFFAOYSA-N 0 0 418.396 4.067 20 5 HIBDRN Cc1c(COC(C)(C)C)cccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000474778260 889635541 /nfs/dbraw/zinc/63/55/41/889635541.db2.gz ZGQSIMHEKXEFPG-UHFFFAOYSA-N 0 0 414.458 4.171 20 5 HIBDRN COCCCOc1cc(C)ccc1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000474786646 889643862 /nfs/dbraw/zinc/64/38/62/889643862.db2.gz BABWLNAHEQWIRG-UHFFFAOYSA-N 0 0 410.268 4.088 20 5 HIBDRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000474805981 889658496 /nfs/dbraw/zinc/65/84/96/889658496.db2.gz DLYHISOKFKOERA-IRXDYDNUSA-N 0 0 411.506 4.081 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000474811079 889663886 /nfs/dbraw/zinc/66/38/86/889663886.db2.gz UGJFVPYDCBDZRM-INIZCTEOSA-N 0 0 402.520 4.032 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4cccc([N+](=O)[O-])c4OC)CC3)c2c1 ZINC000474901683 889761161 /nfs/dbraw/zinc/76/11/61/889761161.db2.gz VHQHBOSRVHSGTP-UHFFFAOYSA-N 0 0 407.426 4.023 20 5 HIBDRN CN(Cc1nc2c(s1)CCCC2)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000474910312 889771275 /nfs/dbraw/zinc/77/12/75/889771275.db2.gz VPZMMKICGXTPAD-UHFFFAOYSA-N 0 0 409.895 4.011 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(Cc4ccc(F)cc4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000504638925 913389056 /nfs/dbraw/zinc/38/90/56/913389056.db2.gz NDCZGWCZPJJGFH-UHFFFAOYSA-N 0 0 407.405 4.236 20 5 HIBDRN COc1c(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cccc1[N+](=O)[O-] ZINC000475019655 889871594 /nfs/dbraw/zinc/87/15/94/889871594.db2.gz VNJAREVJHYCZEI-UHFFFAOYSA-N 0 0 419.437 4.094 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000475040758 889892501 /nfs/dbraw/zinc/89/25/01/889892501.db2.gz WMWLSOLYKVLACS-HNNXBMFYSA-N 0 0 406.442 4.226 20 5 HIBDRN Cc1ccc(-n2cccn2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000475066104 889911474 /nfs/dbraw/zinc/91/14/74/889911474.db2.gz KJJMKFJJJQQQQF-UHFFFAOYSA-N 0 0 415.247 4.033 20 5 HIBDRN Cc1nn(CCC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c(C)c1[N+](=O)[O-] ZINC000475129422 889991447 /nfs/dbraw/zinc/99/14/47/889991447.db2.gz MKRNYGHAENXUGD-UHFFFAOYSA-N 0 0 424.423 4.223 20 5 HIBDRN COc1cc(CN[C@@H]2CCOc3c(C)cccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000475144144 890011000 /nfs/dbraw/zinc/01/10/00/890011000.db2.gz FXGAIJUJAGRQCC-OAHLLOKOSA-N 0 0 408.401 4.169 20 5 HIBDRN COc1c(C(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000475180183 890050548 /nfs/dbraw/zinc/05/05/48/890050548.db2.gz WEPVCRDGNFCQBJ-HXUWFJFHSA-N 0 0 416.437 4.010 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(COC(C)(C)C)c1C ZINC000475182345 890052404 /nfs/dbraw/zinc/05/24/04/890052404.db2.gz KACILEDOSOQLTN-UHFFFAOYSA-N 0 0 401.463 4.278 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000475193304 890063560 /nfs/dbraw/zinc/06/35/60/890063560.db2.gz CDTNNHCIEQRLMZ-UHFFFAOYSA-N 0 0 417.775 4.333 20 5 HIBDRN Cc1c(C(=O)Nc2ccccc2N(C)C2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000475195840 890064667 /nfs/dbraw/zinc/06/46/67/890064667.db2.gz UDYXAUOCUJXWAR-UHFFFAOYSA-N 0 0 420.473 4.115 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc([S@](C)=O)cc1 ZINC000475198968 890067722 /nfs/dbraw/zinc/06/77/22/890067722.db2.gz YOMVERUHBATQCC-RRCUPVIRSA-N 0 0 415.393 4.234 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000475210098 890079321 /nfs/dbraw/zinc/07/93/21/890079321.db2.gz UERSDYFDAGLCJU-SFHVURJKSA-N 0 0 407.348 4.277 20 5 HIBDRN O=C(NCc1ccccc1-n1cccn1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475210668 890080837 /nfs/dbraw/zinc/08/08/37/890080837.db2.gz JLZRHHRKFVYUMT-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN COCC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(C)o1 ZINC000475216163 890085001 /nfs/dbraw/zinc/08/50/01/890085001.db2.gz BMYCXHPOCMVOHU-CYBMUJFWSA-N 0 0 401.341 4.414 20 5 HIBDRN CC[C@H](C)[C@@H](O)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000475232780 890103566 /nfs/dbraw/zinc/10/35/66/890103566.db2.gz MZGGPGAUTQAIPN-LRDDRELGSA-N 0 0 422.865 4.186 20 5 HIBDRN C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Br)cn1 ZINC000475236184 890110163 /nfs/dbraw/zinc/11/01/63/890110163.db2.gz QFKBDSCJOFJSNL-LBPRGKRZSA-N 0 0 419.279 4.188 20 5 HIBDRN Cc1nc(NC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c32)ccc1[N+](=O)[O-] ZINC000475308763 890220568 /nfs/dbraw/zinc/22/05/68/890220568.db2.gz CQSNCQUQUVIABN-UHFFFAOYSA-N 0 0 407.386 4.470 20 5 HIBDRN CCN(CC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(C)n1)c1cccc(C(F)(F)F)c1 ZINC000475310913 890225182 /nfs/dbraw/zinc/22/51/82/890225182.db2.gz RCGKNHHMPUZYLU-KRWDZBQOSA-N 0 0 410.396 4.339 20 5 HIBDRN Cc1nc(NC(=O)[C@@H](Oc2ccccc2Br)C(C)C)ccc1[N+](=O)[O-] ZINC000475313449 890226934 /nfs/dbraw/zinc/22/69/34/890226934.db2.gz PIJPJCULAGYSQM-INIZCTEOSA-N 0 0 408.252 4.103 20 5 HIBDRN COc1cccc(OC)c1Oc1ccc(CNc2cccc(OC)c2[N+](=O)[O-])cn1 ZINC000475359109 890283944 /nfs/dbraw/zinc/28/39/44/890283944.db2.gz UQWSEIABJYFARW-UHFFFAOYSA-N 0 0 411.414 4.420 20 5 HIBDRN CN(Cc1c([N+](=O)[O-])ncn1C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000475376085 890306080 /nfs/dbraw/zinc/30/60/80/890306080.db2.gz RIVJFDHRKQBCNP-UHFFFAOYSA-N 0 0 407.352 4.171 20 5 HIBDRN COc1c(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)cccc1[N+](=O)[O-] ZINC000475387009 890314524 /nfs/dbraw/zinc/31/45/24/890314524.db2.gz KZRWRLGOHJMGGK-UHFFFAOYSA-N 0 0 402.410 4.254 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H](C)C3CCOCC3)cc2[N+](=O)[O-])n1 ZINC000475410571 890338269 /nfs/dbraw/zinc/33/82/69/890338269.db2.gz MPVDKSHTRSTYMT-GFCCVEGCSA-N 0 0 407.517 4.056 20 5 HIBDRN COCCSc1ccc([C@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000504710429 913442693 /nfs/dbraw/zinc/44/26/93/913442693.db2.gz BJHIRKVJEWYESF-AWEZNQCLSA-N 0 0 406.529 4.303 20 5 HIBDRN CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC000504712642 913448322 /nfs/dbraw/zinc/44/83/22/913448322.db2.gz RFLQROMTICYDRF-CQSZACIVSA-N 0 0 411.487 4.167 20 5 HIBDRN CCOc1cc(N2CCN(Cc3ncc(C(C)(C)C)s3)CC2)ccc1[N+](=O)[O-] ZINC000475508819 890426440 /nfs/dbraw/zinc/42/64/40/890426440.db2.gz AIFZHGAXPHIINK-UHFFFAOYSA-N 0 0 404.536 4.070 20 5 HIBDRN Cc1ccc(C)c([C@H]2CCCN2C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC000475547036 890472795 /nfs/dbraw/zinc/47/27/95/890472795.db2.gz NBNKVXKDWFIPFV-LJQANCHMSA-N 0 0 423.469 4.263 20 5 HIBDRN COc1ccccc1-c1noc([C@@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000475555555 890482340 /nfs/dbraw/zinc/48/23/40/890482340.db2.gz QNAFYYIJFDYHQU-CYBMUJFWSA-N 0 0 411.418 4.153 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1OC ZINC000475574624 890504323 /nfs/dbraw/zinc/50/43/23/890504323.db2.gz LRXNSNGOBJUFTK-CYBMUJFWSA-N 0 0 401.463 4.229 20 5 HIBDRN CC[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475616753 890548585 /nfs/dbraw/zinc/54/85/85/890548585.db2.gz HMUFDXBOYHTKCB-PGRDOPGGSA-N 0 0 416.449 4.296 20 5 HIBDRN CC[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475616755 890548975 /nfs/dbraw/zinc/54/89/75/890548975.db2.gz HMUFDXBOYHTKCB-XMSQKQJNSA-N 0 0 416.449 4.296 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000475635871 890576428 /nfs/dbraw/zinc/57/64/28/890576428.db2.gz DBGKWGVCDADDRQ-UHFFFAOYSA-N 0 0 419.441 4.181 20 5 HIBDRN COc1cc([C@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc(OC)c1OC ZINC000475638326 890579448 /nfs/dbraw/zinc/57/94/48/890579448.db2.gz NTUUPQSPYMIRFL-ZDUSSCGKSA-N 0 0 403.435 4.120 20 5 HIBDRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 ZINC000475652780 890597481 /nfs/dbraw/zinc/59/74/81/890597481.db2.gz GPDUSPGRUYRTAB-MOPGFXCFSA-N 0 0 416.547 4.203 20 5 HIBDRN Cc1c(Br)c(N[C@H](c2cnn(C)c2)c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000475726005 890663164 /nfs/dbraw/zinc/66/31/64/890663164.db2.gz GOXPGBARDTXGGN-INIZCTEOSA-N 0 0 420.242 4.135 20 5 HIBDRN CN(C(=O)Cc1cnc2ccccc2c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000475806836 890741621 /nfs/dbraw/zinc/74/16/21/890741621.db2.gz KPOJKKMABABYGZ-UHFFFAOYSA-N 0 0 404.451 4.472 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000475852504 890787314 /nfs/dbraw/zinc/78/73/14/890787314.db2.gz ZATBWXLKDUDEOF-KRWDZBQOSA-N 0 0 423.238 4.019 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000475859094 890795259 /nfs/dbraw/zinc/79/52/59/890795259.db2.gz XUTAKKFGMQEENG-GOSISDBHSA-N 0 0 415.808 4.149 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000475862490 890799318 /nfs/dbraw/zinc/79/93/18/890799318.db2.gz INJNVXHZVUIRTM-MRXNPFEDSA-N 0 0 418.291 4.202 20 5 HIBDRN COC(=O)c1cccc(-c2nc(COc3ccc([N+](=O)[O-])c(OC)c3)cs2)c1 ZINC000475893516 890825599 /nfs/dbraw/zinc/82/55/99/890825599.db2.gz AIJXFWNBBKNAHT-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000476126418 891048490 /nfs/dbraw/zinc/04/84/90/891048490.db2.gz AUVXSIOGUJZFEQ-NHCUHLMSSA-N 0 0 419.485 4.282 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2cccc(Cl)c2O1 ZINC000476161298 891086189 /nfs/dbraw/zinc/08/61/89/891086189.db2.gz ULQASRKDRACMSN-CYBMUJFWSA-N 0 0 401.850 4.276 20 5 HIBDRN COc1c(C(=O)Nc2ccc3cccc(Br)c3n2)cccc1[N+](=O)[O-] ZINC000476275016 891196031 /nfs/dbraw/zinc/19/60/31/891196031.db2.gz RDCIFZJUPVRXDG-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN COc1c(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000476341773 891245806 /nfs/dbraw/zinc/24/58/06/891245806.db2.gz LKRUJUSIGIUASP-GFCCVEGCSA-N 0 0 411.241 4.204 20 5 HIBDRN CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476363901 891271182 /nfs/dbraw/zinc/27/11/82/891271182.db2.gz JWDYCUJHCKXCPV-UHFFFAOYSA-N 0 0 402.451 4.247 20 5 HIBDRN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000504821918 913540609 /nfs/dbraw/zinc/54/06/09/913540609.db2.gz ZNCALFWYDISNBV-UHFFFAOYSA-N 0 0 420.391 4.063 20 5 HIBDRN CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504826088 913544578 /nfs/dbraw/zinc/54/45/78/913544578.db2.gz SXDFYSBBYOQRLA-HNNXBMFYSA-N 0 0 414.462 4.265 20 5 HIBDRN O=[N+]([O-])c1ccc(CSc2nnc(CN3CCCC3)n2-c2ccccc2)c(F)c1 ZINC000476459836 891373814 /nfs/dbraw/zinc/37/38/14/891373814.db2.gz MGDRPPIHMBIBAT-UHFFFAOYSA-N 0 0 413.478 4.203 20 5 HIBDRN C[C@H](c1ccccc1)n1c(SCc2c([N+](=O)[O-])ncn2C)nnc1-c1ccccc1 ZINC000476486922 891396514 /nfs/dbraw/zinc/39/65/14/891396514.db2.gz UWVLYAPFPSYDBB-OAHLLOKOSA-N 0 0 420.498 4.488 20 5 HIBDRN CC[C@H](C)Cc1c(C)sc2[nH]c(SCc3c([N+](=O)[O-])ncn3C)nc(=O)c12 ZINC000476497090 891406960 /nfs/dbraw/zinc/40/69/60/891406960.db2.gz WDGFCOXEFLIXGP-VIFPVBQESA-N 0 0 407.521 4.228 20 5 HIBDRN COc1ccc(-c2cc3ncn(Cc4ccc([N+](=O)[O-])cc4F)c(=O)c3s2)cc1 ZINC000476500184 891412884 /nfs/dbraw/zinc/41/28/84/891412884.db2.gz NKVYYDFUMWVSQV-UHFFFAOYSA-N 0 0 411.414 4.229 20 5 HIBDRN CCCCCn1c(=O)c2ccc(Cl)cc2nc1SCc1c([N+](=O)[O-])ncn1C ZINC000476501895 891414503 /nfs/dbraw/zinc/41/45/03/891414503.db2.gz BJKLNBAIVWFWEG-UHFFFAOYSA-N 0 0 421.910 4.174 20 5 HIBDRN O=C(NC[C@@H]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000476533942 891446699 /nfs/dbraw/zinc/44/66/99/891446699.db2.gz LRAKCTOYEAWFEM-IUODEOHRSA-N 0 0 406.891 4.290 20 5 HIBDRN CCCN([C@H]1CCCc2cccnc21)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000476634079 891570894 /nfs/dbraw/zinc/57/08/94/891570894.db2.gz MRGOEGTWUUGXTM-SFHVURJKSA-N 0 0 403.504 4.085 20 5 HIBDRN CCOc1ccc(C(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000476799956 891784009 /nfs/dbraw/zinc/78/40/09/891784009.db2.gz DNYKFNHXKMPRFT-HFTRVMKXSA-N 0 0 418.490 4.109 20 5 HIBDRN CCOc1ccc(C(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000476799962 891784575 /nfs/dbraw/zinc/78/45/75/891784575.db2.gz DNYKFNHXKMPRFT-ZVZYQTTQSA-N 0 0 418.490 4.109 20 5 HIBDRN COc1ccc(NC(=O)c2cc(F)c(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000476859021 891825808 /nfs/dbraw/zinc/82/58/08/891825808.db2.gz YHTAZDZKEYOFTN-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000476979077 891906185 /nfs/dbraw/zinc/90/61/85/891906185.db2.gz DHKNFFYKTGGKRJ-SECBINFHSA-N 0 0 415.755 4.083 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000477010872 891939459 /nfs/dbraw/zinc/93/94/59/891939459.db2.gz NHAOKGPENRECBE-UHFFFAOYSA-N 0 0 423.231 4.467 20 5 HIBDRN CCn1c(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)nc2cccnc21 ZINC000477023575 891950768 /nfs/dbraw/zinc/95/07/68/891950768.db2.gz SEKMNEZKXUBUPB-UHFFFAOYSA-N 0 0 403.398 4.404 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCc4cc(-c5ccccc5)oc4C3)o2)cc1 ZINC000477056257 891989576 /nfs/dbraw/zinc/98/95/76/891989576.db2.gz JFGRLLMZOKUEOO-UHFFFAOYSA-N 0 0 402.410 4.463 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2ccc(C(N)=O)cc2F)cc1[N+](=O)[O-] ZINC000477105964 892038015 /nfs/dbraw/zinc/03/80/15/892038015.db2.gz AODKDWSMDBLATD-UHFFFAOYSA-N 0 0 405.451 4.223 20 5 HIBDRN CCN(C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1)CC(F)(F)F ZINC000477297327 892257639 /nfs/dbraw/zinc/25/76/39/892257639.db2.gz BGAJBSRBCRSYEM-GFCCVEGCSA-N 0 0 415.437 4.156 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000477350017 892315681 /nfs/dbraw/zinc/31/56/81/892315681.db2.gz LWEOSYJMMPCOMH-CQSZACIVSA-N 0 0 422.268 4.135 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000477357365 892321985 /nfs/dbraw/zinc/32/19/85/892321985.db2.gz TWSDQVSIZMGQEO-UHFFFAOYSA-N 0 0 403.442 4.212 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)CC[C@H](C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000477359215 892324209 /nfs/dbraw/zinc/32/42/09/892324209.db2.gz CMPMWPTUWGLUTP-SFHVURJKSA-N 0 0 411.502 4.226 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3cccc(-c4ccoc4)c3)CC2)ccc1[N+](=O)[O-] ZINC000477368150 892331890 /nfs/dbraw/zinc/33/18/90/892331890.db2.gz VCBMDXIKYFZCSZ-UHFFFAOYSA-N 0 0 421.453 4.216 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ccc(Br)c(F)c1 ZINC000477371796 892333307 /nfs/dbraw/zinc/33/33/07/892333307.db2.gz HXRGSYCCRWQREL-XFFZJAGNSA-N 0 0 416.206 4.151 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000477373509 892335159 /nfs/dbraw/zinc/33/51/59/892335159.db2.gz GSBDSXWEHZWIMR-CQSZACIVSA-N 0 0 404.825 4.431 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000477399504 892354299 /nfs/dbraw/zinc/35/42/99/892354299.db2.gz AFTSLAODTPLGGL-YJBOKZPZSA-N 0 0 409.820 4.010 20 5 HIBDRN CC(C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477440070 892390948 /nfs/dbraw/zinc/39/09/48/892390948.db2.gz CONNAVWRORFTJD-UHFFFAOYSA-N 0 0 409.255 4.476 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000477447012 892397847 /nfs/dbraw/zinc/39/78/47/892397847.db2.gz AGDNNCUBNXIUPY-UHFFFAOYSA-N 0 0 403.442 4.212 20 5 HIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000477455530 892412792 /nfs/dbraw/zinc/41/27/92/892412792.db2.gz UPULXVJGWXJEGT-UHFFFAOYSA-N 0 0 401.438 4.177 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000477490498 892490500 /nfs/dbraw/zinc/49/05/00/892490500.db2.gz NEYNAZNJZPYQAX-QGZVFWFLSA-N 0 0 422.268 4.074 20 5 HIBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000477671832 892804379 /nfs/dbraw/zinc/80/43/79/892804379.db2.gz UWRPEEKEZGIHSW-UHFFFAOYSA-N 0 0 407.474 4.149 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000477683152 892808645 /nfs/dbraw/zinc/80/86/45/892808645.db2.gz KTUVECKIXHRUPU-QGZVFWFLSA-N 0 0 416.499 4.438 20 5 HIBDRN Cc1nn(C)c(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c1[N+](=O)[O-] ZINC000477704360 892818296 /nfs/dbraw/zinc/81/82/96/892818296.db2.gz RYPSQHWRGURSME-UHFFFAOYSA-N 0 0 411.365 4.031 20 5 HIBDRN COC(=O)c1cnc(N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000477736339 892833385 /nfs/dbraw/zinc/83/33/85/892833385.db2.gz DHMCYBLROSHCFW-KRWDZBQOSA-N 0 0 412.833 4.221 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000477764842 892852785 /nfs/dbraw/zinc/85/27/85/892852785.db2.gz HQRNKWGMBIMGKP-TZMCWYRMSA-N 0 0 406.280 4.198 20 5 HIBDRN COC(=O)c1csc(-c2cccc(CNc3ncnc4cccc([N+](=O)[O-])c43)c2)n1 ZINC000477807526 892879003 /nfs/dbraw/zinc/87/90/03/892879003.db2.gz WQRGITNUYMTRQS-UHFFFAOYSA-N 0 0 421.438 4.060 20 5 HIBDRN Cc1c(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000477814959 892884757 /nfs/dbraw/zinc/88/47/57/892884757.db2.gz LKMIHYRJWZMYHX-SGTLLEGYSA-N 0 0 422.268 4.368 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000504970802 913709696 /nfs/dbraw/zinc/70/96/96/913709696.db2.gz JGVHTKYAGIFHSZ-UHFFFAOYSA-N 0 0 401.316 4.039 20 5 HIBDRN COc1ccc(N(CCC(C)C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000477905746 892979706 /nfs/dbraw/zinc/97/97/06/892979706.db2.gz RSLPXEPSDCZTGF-UHFFFAOYSA-N 0 0 408.458 4.482 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(OC2CCCC2)c1 ZINC000477907836 892982786 /nfs/dbraw/zinc/98/27/86/892982786.db2.gz ARPKITGEFVUKOT-OAHLLOKOSA-N 0 0 413.474 4.485 20 5 HIBDRN COC(=O)c1cc(C(=O)N(CCC(C)C)c2ccc(OC)cc2)cc([N+](=O)[O-])c1 ZINC000477923629 893009945 /nfs/dbraw/zinc/00/99/45/893009945.db2.gz WIMRITKHWVLIHV-UHFFFAOYSA-N 0 0 400.431 4.083 20 5 HIBDRN COc1cc(C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000477987722 893086394 /nfs/dbraw/zinc/08/63/94/893086394.db2.gz GXRZAERUHICQKB-UHFFFAOYSA-N 0 0 418.356 4.156 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000478031359 893157745 /nfs/dbraw/zinc/15/77/45/893157745.db2.gz UVSPRKUAMHYCBX-HNNXBMFYSA-N 0 0 423.860 4.025 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000478043857 893181976 /nfs/dbraw/zinc/18/19/76/893181976.db2.gz BWSYNICYSAMCDN-UHFFFAOYSA-N 0 0 409.423 4.160 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(CN(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000478047699 893190414 /nfs/dbraw/zinc/19/04/14/893190414.db2.gz NXWKZUFBCDSDOQ-UHFFFAOYSA-N 0 0 423.922 4.190 20 5 HIBDRN Cc1cc2sc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)nc2cc1F ZINC000478081306 893243032 /nfs/dbraw/zinc/24/30/32/893243032.db2.gz IHRSBCLIBCTESX-UHFFFAOYSA-N 0 0 412.402 4.218 20 5 HIBDRN COC(=O)c1cc(F)cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1F ZINC000478099344 893265675 /nfs/dbraw/zinc/26/56/75/893265675.db2.gz DAKSTAFXXGYNJO-UHFFFAOYSA-N 0 0 416.789 4.044 20 5 HIBDRN CC(C)c1ccsc1C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000478100247 893267567 /nfs/dbraw/zinc/26/75/67/893267567.db2.gz HRKFZHPNNUMCHV-UHFFFAOYSA-N 0 0 413.503 4.009 20 5 HIBDRN C[C@H](CCC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)c1ccccc1 ZINC000478100024 893267843 /nfs/dbraw/zinc/26/78/43/893267843.db2.gz GMKNRIBBWBETGN-QGZVFWFLSA-N 0 0 421.501 4.094 20 5 HIBDRN CC(C)c1ccc(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000478148138 893318431 /nfs/dbraw/zinc/31/84/31/893318431.db2.gz KGJLCPBRCMNDQL-OAHLLOKOSA-N 0 0 412.364 4.080 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000478162776 893330765 /nfs/dbraw/zinc/33/07/65/893330765.db2.gz LCMWLOICQQXFMA-QGZVFWFLSA-N 0 0 410.426 4.024 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000478202559 893364215 /nfs/dbraw/zinc/36/42/15/893364215.db2.gz UPUUBCQOAGLIPJ-WMLDXEAASA-N 0 0 408.376 4.285 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc([N+](=O)[O-])c1C ZINC000478237671 893401353 /nfs/dbraw/zinc/40/13/53/893401353.db2.gz RHWDRYORKXOVIL-UHFFFAOYSA-N 0 0 421.457 4.149 20 5 HIBDRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000478260017 893445266 /nfs/dbraw/zinc/44/52/66/893445266.db2.gz QLBXJVOCVJVPKX-UYAOXDASSA-N 0 0 411.477 4.403 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)cc([N+](=O)[O-])c1 ZINC000478267984 893460476 /nfs/dbraw/zinc/46/04/76/893460476.db2.gz OWKDSKQLRZAISW-UHFFFAOYSA-N 0 0 402.834 4.055 20 5 HIBDRN COC(=O)c1cnc(Sc2nnc(-c3ccc4ccccc4c3)o2)c([N+](=O)[O-])c1 ZINC000478280059 893481802 /nfs/dbraw/zinc/48/18/02/893481802.db2.gz LQQJRPRUANNNFD-UHFFFAOYSA-N 0 0 408.395 4.131 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000478279295 893482593 /nfs/dbraw/zinc/48/25/93/893482593.db2.gz CORGVBIUQPDUAV-UHFFFAOYSA-N 0 0 414.405 4.282 20 5 HIBDRN COC(=O)c1cnc(NCc2cccc(COCc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000478285131 893492353 /nfs/dbraw/zinc/49/23/53/893492353.db2.gz UAUVOVYJAJDNKL-UHFFFAOYSA-N 0 0 407.426 4.105 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc([N+](=O)[O-])c1C ZINC000478329293 893562070 /nfs/dbraw/zinc/56/20/70/893562070.db2.gz LLXSAKVXBQYINB-HNNXBMFYSA-N 0 0 408.458 4.116 20 5 HIBDRN O=C(CNc1cc(Cl)cc(C(F)(F)F)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000478330499 893566130 /nfs/dbraw/zinc/56/61/30/893566130.db2.gz PBYQFCWHTAOFCI-UHFFFAOYSA-N 0 0 417.727 4.046 20 5 HIBDRN O=C1C[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)CN1c1cc(Cl)cc(Cl)c1 ZINC000505043961 913784155 /nfs/dbraw/zinc/78/41/55/913784155.db2.gz JPPCGOUEZIXPCC-LLVKDONJSA-N 0 0 419.224 4.472 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 ZINC000478392067 893671149 /nfs/dbraw/zinc/67/11/49/893671149.db2.gz SFNIMWLKNOBALB-UHFFFAOYSA-N 0 0 413.437 4.083 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 ZINC000478395097 893675650 /nfs/dbraw/zinc/67/56/50/893675650.db2.gz YMMZCRFUPRDXLV-UHFFFAOYSA-N 0 0 413.437 4.083 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](CO)c2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000478451968 893769221 /nfs/dbraw/zinc/76/92/21/893769221.db2.gz CNEKUJOAKNIBLT-GFCCVEGCSA-N 0 0 401.271 4.087 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000478456639 893778312 /nfs/dbraw/zinc/77/83/12/893778312.db2.gz YLLWKGFMOMGANQ-CXAGYDPISA-N 0 0 411.285 4.320 20 5 HIBDRN O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000478490308 893810448 /nfs/dbraw/zinc/81/04/48/893810448.db2.gz NBFKOWZGNMOVQQ-CQSZACIVSA-N 0 0 423.174 4.384 20 5 HIBDRN CCCOc1ccc(C(C)(C)NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1 ZINC000478506688 893818381 /nfs/dbraw/zinc/81/83/81/893818381.db2.gz KQFWIHHTQNOQAX-UHFFFAOYSA-N 0 0 402.447 4.066 20 5 HIBDRN O=C(NCCc1cccc(OCC(F)(F)F)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000478533455 893835636 /nfs/dbraw/zinc/83/56/36/893835636.db2.gz ZPEJQYMZHQBVKY-UHFFFAOYSA-N 0 0 402.756 4.162 20 5 HIBDRN CCOc1cc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000478542705 893841138 /nfs/dbraw/zinc/84/11/38/893841138.db2.gz ZBSLMMSFRJQTPV-CTYIDZIISA-N 0 0 404.850 4.332 20 5 HIBDRN O=C(NCc1csc(-c2ccco2)n1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000478587897 893862396 /nfs/dbraw/zinc/86/23/96/893862396.db2.gz SPSMWWWKEMSKNT-UHFFFAOYSA-N 0 0 410.358 4.234 20 5 HIBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(OC)c(C)c1OC ZINC000478598299 893866973 /nfs/dbraw/zinc/86/69/73/893866973.db2.gz DSBBUTBXBZBCFA-UHFFFAOYSA-N 0 0 414.336 4.200 20 5 HIBDRN CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000505092412 913813503 /nfs/dbraw/zinc/81/35/03/913813503.db2.gz INUHJHYXUIFLTK-NEPJUHHUSA-N 0 0 416.259 4.144 20 5 HIBDRN COC(=O)CCCc1nnc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)s1 ZINC000478625785 893882658 /nfs/dbraw/zinc/88/26/58/893882658.db2.gz XVPXHJYBNRDULV-UHFFFAOYSA-N 0 0 418.500 4.283 20 5 HIBDRN O=C1C[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CN1c1cccc2ccccc21 ZINC000505101837 913817741 /nfs/dbraw/zinc/81/77/41/913817741.db2.gz BSMCBRRKJFTGII-INIZCTEOSA-N 0 0 400.394 4.319 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000478688336 893944236 /nfs/dbraw/zinc/94/42/36/893944236.db2.gz PWHCPDDKBYUKAJ-LBPRGKRZSA-N 0 0 419.791 4.138 20 5 HIBDRN Cc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1NC(=O)N(C)C ZINC000478702659 893965698 /nfs/dbraw/zinc/96/56/98/893965698.db2.gz JXYRVFDPBZEKPZ-UHFFFAOYSA-N 0 0 414.465 4.336 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c(OCC)c2)cc1 ZINC000478732994 894007622 /nfs/dbraw/zinc/00/76/22/894007622.db2.gz KTDGJSUVLRWDHZ-IBGZPJMESA-N 0 0 414.458 4.135 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1SC ZINC000505121292 913827267 /nfs/dbraw/zinc/82/72/67/913827267.db2.gz UYUPADIMUJOPPD-QGZVFWFLSA-N 0 0 422.890 4.192 20 5 HIBDRN CCSc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000505120936 913827667 /nfs/dbraw/zinc/82/76/67/913827667.db2.gz UUJHYDLSSANBAZ-IBGZPJMESA-N 0 0 413.499 4.259 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(CNC(=O)c2ccc([N+](=O)[O-])s2)on1 ZINC000478777658 894053480 /nfs/dbraw/zinc/05/34/80/894053480.db2.gz ZVOJAJSYVOPJBR-UHFFFAOYSA-N 0 0 409.423 4.403 20 5 HIBDRN Cc1c(CNC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000478818185 894091446 /nfs/dbraw/zinc/09/14/46/894091446.db2.gz ZMURIUITQVIUSK-CYBMUJFWSA-N 0 0 411.380 4.405 20 5 HIBDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC000478833117 894109385 /nfs/dbraw/zinc/10/93/85/894109385.db2.gz GYQAWAAEMWLJLC-GUYCJALGSA-N 0 0 418.412 4.250 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc([N+](=O)[O-])c1C ZINC000478834466 894111256 /nfs/dbraw/zinc/11/12/56/894111256.db2.gz KJYKVMILKJFZAJ-UHFFFAOYSA-N 0 0 419.437 4.441 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000478910452 894189733 /nfs/dbraw/zinc/18/97/33/894189733.db2.gz KMHKMEJRJIEVOK-ZDUSSCGKSA-N 0 0 404.637 4.410 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCOC(C)(C)[C@@H]2C)cc1 ZINC000478932075 894213616 /nfs/dbraw/zinc/21/36/16/894213616.db2.gz FRZNWLBPYIGFCD-AWEZNQCLSA-N 0 0 400.431 4.035 20 5 HIBDRN Cc1ccc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1 ZINC000478936412 894217057 /nfs/dbraw/zinc/21/70/57/894217057.db2.gz FHUOBOXHYKTTNQ-UHFFFAOYSA-N 0 0 415.515 4.362 20 5 HIBDRN Cc1oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)cc2c1C ZINC000479004573 894274577 /nfs/dbraw/zinc/27/45/77/894274577.db2.gz WHTUFVFKQIAJGO-HNNXBMFYSA-N 0 0 413.455 4.263 20 5 HIBDRN Cc1sc(NC(=O)c2ccncc2Br)nc1-c1cccc([N+](=O)[O-])c1 ZINC000479043102 894303452 /nfs/dbraw/zinc/30/34/52/894303452.db2.gz LQNSLSVGMSBPRB-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000505168166 913857089 /nfs/dbraw/zinc/85/70/89/913857089.db2.gz ROBMGIXZAOSYKP-IBGZPJMESA-N 0 0 403.438 4.314 20 5 HIBDRN CCn1c(CNC(=O)Nc2cccc([N+](=O)[O-])c2)nc2cc(Br)ccc21 ZINC000479168431 894436621 /nfs/dbraw/zinc/43/66/21/894436621.db2.gz YCWLJQRFCBGGNB-UHFFFAOYSA-N 0 0 418.251 4.049 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000479169234 894439439 /nfs/dbraw/zinc/43/94/39/894439439.db2.gz WICQMJOGNZBCPU-HXUWFJFHSA-N 0 0 405.454 4.086 20 5 HIBDRN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000479176457 894445467 /nfs/dbraw/zinc/44/54/67/894445467.db2.gz CVVQYTPCIDROFD-UHFFFAOYSA-N 0 0 412.421 4.171 20 5 HIBDRN Cc1nc(C)n(-c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000479199068 894464555 /nfs/dbraw/zinc/46/45/55/894464555.db2.gz ZUYJTVIUPWYOIL-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000479219509 894482063 /nfs/dbraw/zinc/48/20/63/894482063.db2.gz HRXRMZURBOVROX-UHFFFAOYSA-N 0 0 412.471 4.018 20 5 HIBDRN COC(=O)[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)c(Cl)c1 ZINC000479244324 894508296 /nfs/dbraw/zinc/50/82/96/894508296.db2.gz NJCLTXRQCRPYDG-GOSISDBHSA-N 0 0 411.241 4.028 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000505203029 913881093 /nfs/dbraw/zinc/88/10/93/913881093.db2.gz GQCVSVQUQPHBTL-RBUKOAKNSA-N 0 0 404.850 4.112 20 5 HIBDRN CCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCc2cccnc21 ZINC000479356272 894652969 /nfs/dbraw/zinc/65/29/69/894652969.db2.gz HQDRRJKEEMWRIL-FQEVSTJZSA-N 0 0 405.458 4.105 20 5 HIBDRN CCOc1cccc2cc([C@H](C)NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)oc21 ZINC000479366614 894665961 /nfs/dbraw/zinc/66/59/61/894665961.db2.gz SJKLDQQGWJHUBP-AWEZNQCLSA-N 0 0 420.425 4.416 20 5 HIBDRN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000479375154 894676980 /nfs/dbraw/zinc/67/69/80/894676980.db2.gz FUCKWBHIBVTVTC-UHFFFAOYSA-N 0 0 404.426 4.018 20 5 HIBDRN COc1ccc(OCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1[N+](=O)[O-] ZINC000479414069 894723247 /nfs/dbraw/zinc/72/32/47/894723247.db2.gz BRONRVYJNFHRNK-UHFFFAOYSA-N 0 0 400.456 4.393 20 5 HIBDRN CC(C)N(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000505235465 913896783 /nfs/dbraw/zinc/89/67/83/913896783.db2.gz KRIHHOVJSARNOQ-UHFFFAOYSA-N 0 0 404.470 4.389 20 5 HIBDRN O=C(Nc1ccc(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nc1)c1ccccc1 ZINC000479536465 894841055 /nfs/dbraw/zinc/84/10/55/894841055.db2.gz DYGFXBXHHCJTAH-ZWKOTPCHSA-N 0 0 406.446 4.034 20 5 HIBDRN CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CCO1 ZINC000479648705 894919609 /nfs/dbraw/zinc/91/96/09/894919609.db2.gz QKPRDWQPNNFQQL-QAPCUYQASA-N 0 0 410.536 4.047 20 5 HIBDRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000479655445 894929180 /nfs/dbraw/zinc/92/91/80/894929180.db2.gz MFDCLJCXTXUEJI-GOSISDBHSA-N 0 0 418.375 4.074 20 5 HIBDRN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000505261291 913917136 /nfs/dbraw/zinc/91/71/36/913917136.db2.gz VLRQRQRBMVAINV-UHFFFAOYSA-N 0 0 415.393 4.164 20 5 HIBDRN O=C(NCCCCc1nc(-c2cccnc2)cs1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000479670927 894949526 /nfs/dbraw/zinc/94/95/26/894949526.db2.gz JHYZSVUXILOMTP-UHFFFAOYSA-N 0 0 421.482 4.347 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000479670781 894949745 /nfs/dbraw/zinc/94/97/45/894949745.db2.gz DGSIFGAASKOGKM-CWTRNNRKSA-N 0 0 422.865 4.162 20 5 HIBDRN Cc1c(CNC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] ZINC000479679740 894963634 /nfs/dbraw/zinc/96/36/34/894963634.db2.gz ZJZNEVYTTLAMOP-GFCCVEGCSA-N 0 0 415.837 4.167 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)cc1SC ZINC000479698038 894988838 /nfs/dbraw/zinc/98/88/38/894988838.db2.gz AIFVEWRKJJWIDV-UHFFFAOYSA-N 0 0 417.468 4.407 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000479707038 895001705 /nfs/dbraw/zinc/00/17/05/895001705.db2.gz AIWFGZPASMIFLI-INIZCTEOSA-N 0 0 424.226 4.102 20 5 HIBDRN C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000479712621 895008922 /nfs/dbraw/zinc/00/89/22/895008922.db2.gz FYUSNKHSYHWDQK-LLVKDONJSA-N 0 0 417.878 4.163 20 5 HIBDRN C[C@H](SCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000479721065 895018586 /nfs/dbraw/zinc/01/85/86/895018586.db2.gz XUCVXGHXQUHJRE-VIFPVBQESA-N 0 0 408.398 4.016 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000479727086 895023659 /nfs/dbraw/zinc/02/36/59/895023659.db2.gz KOTAWJBTYHDKLI-RNODOKPDSA-N 0 0 401.850 4.095 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000479742898 895041392 /nfs/dbraw/zinc/04/13/92/895041392.db2.gz FFFIQWXALPVZON-VIFPVBQESA-N 0 0 416.425 4.183 20 5 HIBDRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000479750294 895049802 /nfs/dbraw/zinc/04/98/02/895049802.db2.gz VZICXANGERCEQP-UHFFFAOYSA-N 0 0 424.497 4.294 20 5 HIBDRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000479762439 895063460 /nfs/dbraw/zinc/06/34/60/895063460.db2.gz BTURSTWNXOVWLT-OAHLLOKOSA-N 0 0 421.291 4.459 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000479770533 895071410 /nfs/dbraw/zinc/07/14/10/895071410.db2.gz MVJWCOZIXHHJHJ-QBIMZIAESA-N 0 0 413.474 4.191 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cc(-c4ccccc4)on3)cc2)c(C)c1[N+](=O)[O-] ZINC000479843129 895172641 /nfs/dbraw/zinc/17/26/41/895172641.db2.gz WRLVXJZBZZUXEB-UHFFFAOYSA-N 0 0 417.425 4.364 20 5 HIBDRN O=C(CCOCC(F)(F)C(F)F)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000479891034 895237369 /nfs/dbraw/zinc/23/73/69/895237369.db2.gz YHNBCYROJWLFQY-UHFFFAOYSA-N 0 0 414.355 4.435 20 5 HIBDRN CCOCCOc1c(Cl)cccc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000479934452 895284152 /nfs/dbraw/zinc/28/41/52/895284152.db2.gz WGGPSPHVQNIEAX-UHFFFAOYSA-N 0 0 408.838 4.233 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(SC)cc1 ZINC000479972423 895327131 /nfs/dbraw/zinc/32/71/31/895327131.db2.gz RWOZDKPDWHNSBG-INIZCTEOSA-N 0 0 403.460 4.051 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccc(SC)cc1 ZINC000479976679 895329029 /nfs/dbraw/zinc/32/90/29/895329029.db2.gz GVZVCTRFHYEMBM-MRXNPFEDSA-N 0 0 403.460 4.051 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc([N+](=O)[O-])c1C ZINC000480042240 895390766 /nfs/dbraw/zinc/39/07/66/895390766.db2.gz IHSZMFJEPMJJIH-UHFFFAOYSA-N 0 0 417.849 4.054 20 5 HIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000480057091 895404363 /nfs/dbraw/zinc/40/43/63/895404363.db2.gz FZHGVUFSCBAGLI-UHFFFAOYSA-N 0 0 412.490 4.487 20 5 HIBDRN COc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1OCc1ccncc1 ZINC000480056769 895404443 /nfs/dbraw/zinc/40/44/43/895404443.db2.gz BADAQIYBHMCJMY-UHFFFAOYSA-N 0 0 422.441 4.208 20 5 HIBDRN CCC(=O)c1ccc(NCCC(=O)Nc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 ZINC000480064496 895413055 /nfs/dbraw/zinc/41/30/55/895413055.db2.gz WCRKNMUZTLFLPZ-UHFFFAOYSA-N 0 0 405.838 4.290 20 5 HIBDRN CSc1ccc(C(=O)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1[N+](=O)[O-] ZINC000480098995 895466308 /nfs/dbraw/zinc/46/63/08/895466308.db2.gz PEDLMTUYUVVMPG-VIFPVBQESA-N 0 0 416.425 4.183 20 5 HIBDRN COc1ccc(-c2ccc(CNCc3cccnc3OCC(F)F)o2)c([N+](=O)[O-])c1 ZINC000480127345 895503164 /nfs/dbraw/zinc/50/31/64/895503164.db2.gz OVXUJBOOMJAPGL-UHFFFAOYSA-N 0 0 419.384 4.192 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(CCc2ccccc2)CC1 ZINC000480149372 895532226 /nfs/dbraw/zinc/53/22/26/895532226.db2.gz BNKLFCFIKKMUBK-UHFFFAOYSA-N 0 0 404.470 4.266 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000480158269 895545018 /nfs/dbraw/zinc/54/50/18/895545018.db2.gz XFIDVYPAORMPTJ-CQSZACIVSA-N 0 0 421.356 4.294 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000480166227 895556264 /nfs/dbraw/zinc/55/62/64/895556264.db2.gz GQSYUGXVXDHPIV-GFCCVEGCSA-N 0 0 417.878 4.007 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCC(O[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000480179127 895571547 /nfs/dbraw/zinc/57/15/47/895571547.db2.gz JLWQCROFFKZWET-SFHVURJKSA-N 0 0 422.547 4.143 20 5 HIBDRN COc1ccc(NC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000480297303 895702148 /nfs/dbraw/zinc/70/21/48/895702148.db2.gz CHGHCNSLSWSADP-CQSZACIVSA-N 0 0 414.245 4.155 20 5 HIBDRN COc1cc(OC)cc([C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c2nccn2C)c1 ZINC000480330774 895734511 /nfs/dbraw/zinc/73/45/11/895734511.db2.gz GCYUOEOOUOWNRN-YCRPNKLZSA-N 0 0 410.474 4.094 20 5 HIBDRN COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2nccn2C)c1 ZINC000480333432 895736828 /nfs/dbraw/zinc/73/68/28/895736828.db2.gz IBHJOOJTUONOQF-YCRPNKLZSA-N 0 0 410.474 4.094 20 5 HIBDRN CSc1ccc(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000505333627 913998779 /nfs/dbraw/zinc/99/87/79/913998779.db2.gz PJNDASPZBOSGBX-UHFFFAOYSA-N 0 0 407.879 4.037 20 5 HIBDRN O=C(Nc1ccc(OCC(F)F)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000480369384 895776916 /nfs/dbraw/zinc/77/69/16/895776916.db2.gz GSGFBOWGBOXYAI-UHFFFAOYSA-N 0 0 401.163 4.254 20 5 HIBDRN COc1cccc(C(NC(=O)Cc2cccc([N+](=O)[O-])c2)c2cccc(OC)c2)c1 ZINC000480379096 895784640 /nfs/dbraw/zinc/78/46/40/895784640.db2.gz ABETXRXMCMLQDV-UHFFFAOYSA-N 0 0 406.438 4.060 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(N3CCC34CCC4)c([N+](=O)[O-])c2)c(C)c1 ZINC000480391433 895798121 /nfs/dbraw/zinc/79/81/21/895798121.db2.gz AWAQUDYMHDARSD-UHFFFAOYSA-N 0 0 401.488 4.145 20 5 HIBDRN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480434103 895826300 /nfs/dbraw/zinc/82/63/00/895826300.db2.gz GCBFANWFFXKBPJ-SJLPKXTDSA-N 0 0 420.252 4.113 20 5 HIBDRN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480440115 895830813 /nfs/dbraw/zinc/83/08/13/895830813.db2.gz STZAEZFAESLQJH-MSOLQXFVSA-N 0 0 420.252 4.113 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000480458652 895845307 /nfs/dbraw/zinc/84/53/07/895845307.db2.gz BADPHMDHZIRFQU-UHFFFAOYSA-N 0 0 414.487 4.125 20 5 HIBDRN O=[N+]([O-])c1ccc(NCCCCn2cc(Br)cn2)cc1OC(F)F ZINC000480495566 895867573 /nfs/dbraw/zinc/86/75/73/895867573.db2.gz BERUBIAKQZUHET-UHFFFAOYSA-N 0 0 405.199 4.048 20 5 HIBDRN COC(=O)c1nc([C@H]2CCCN2c2cc(C)nc3c2cccc3[N+](=O)[O-])sc1C ZINC000480578932 895938982 /nfs/dbraw/zinc/93/89/82/895938982.db2.gz JVQWJJKNULOGRZ-OAHLLOKOSA-N 0 0 412.471 4.344 20 5 HIBDRN COc1cc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc([N+](=O)[O-])c1C ZINC000480587669 895949989 /nfs/dbraw/zinc/94/99/89/895949989.db2.gz YJEQLJHWQVDSHV-GOSISDBHSA-N 0 0 424.375 4.144 20 5 HIBDRN CC[C@H](c1ccccc1)N(CC)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000480596904 895959348 /nfs/dbraw/zinc/95/93/48/895959348.db2.gz HHDRTOZIPJOITH-GOSISDBHSA-N 0 0 415.490 4.337 20 5 HIBDRN CCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 ZINC000480608028 895972922 /nfs/dbraw/zinc/97/29/22/895972922.db2.gz FXFVBMDBCBCVQM-UHFFFAOYSA-N 0 0 415.515 4.023 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000505371240 914034091 /nfs/dbraw/zinc/03/40/91/914034091.db2.gz BZWXJTNKCZAEOK-ZDUSSCGKSA-N 0 0 407.270 4.350 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3nc(-c4c(F)cccc4F)cs3)C2)nc1 ZINC000480773767 896137889 /nfs/dbraw/zinc/13/78/89/896137889.db2.gz UBFQGSSQHXEVJK-LBPRGKRZSA-N 0 0 417.441 4.078 20 5 HIBDRN COCCNc1ccccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000480802305 896169750 /nfs/dbraw/zinc/16/97/50/896169750.db2.gz ILAASKNRLGBYER-MRXNPFEDSA-N 0 0 412.490 4.142 20 5 HIBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(Br)cn1 ZINC000480836991 896212194 /nfs/dbraw/zinc/21/21/94/896212194.db2.gz CWAUEGPINVQEOD-LBPRGKRZSA-N 0 0 419.279 4.161 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)Cc2ccccc2C(F)(F)F)c1C ZINC000480936423 896286795 /nfs/dbraw/zinc/28/67/95/896286795.db2.gz NRXJQLMJGIJZPZ-UHFFFAOYSA-N 0 0 402.394 4.051 20 5 HIBDRN Cc1ccc2c(c1)CCN(C(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)C2 ZINC000481006511 896338966 /nfs/dbraw/zinc/33/89/66/896338966.db2.gz LTSCSHYZAVBDMC-UHFFFAOYSA-N 0 0 404.416 4.466 20 5 HIBDRN O=[N+]([O-])c1ccc(CCCCNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000481021941 896350884 /nfs/dbraw/zinc/35/08/84/896350884.db2.gz GTCNXIUEVZDHKX-UHFFFAOYSA-N 0 0 416.421 4.001 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000481048253 896373283 /nfs/dbraw/zinc/37/32/83/896373283.db2.gz KQHDEIJUBBYHNE-UHFFFAOYSA-N 0 0 416.421 4.299 20 5 HIBDRN C[C@H](NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000481060464 896382256 /nfs/dbraw/zinc/38/22/56/896382256.db2.gz PXRVQMZPNSJYTG-GTNSWQLSSA-N 0 0 412.273 4.386 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N(Cc1c(F)cccc1F)C1CC1 ZINC000481124887 896452284 /nfs/dbraw/zinc/45/22/84/896452284.db2.gz SHMVWLMAMMTIHY-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN C[C@@H]([C@H](C)NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000481191893 896543865 /nfs/dbraw/zinc/54/38/65/896543865.db2.gz PMIZZHVLCAGXNX-KBPBESRZSA-N 0 0 417.535 4.209 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000481197770 896549786 /nfs/dbraw/zinc/54/97/86/896549786.db2.gz JBCNOYKSAWLGIX-QGZVFWFLSA-N 0 0 424.526 4.237 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000505413345 914076803 /nfs/dbraw/zinc/07/68/03/914076803.db2.gz GNLLSUUMCHMVLT-MRXNPFEDSA-N 0 0 404.291 4.062 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(F)c(Br)cc2s1 ZINC000481290189 896635078 /nfs/dbraw/zinc/63/50/78/896635078.db2.gz JSIFPIZBNFHSNF-UHFFFAOYSA-N 0 0 411.212 4.062 20 5 HIBDRN Cc1nc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1Br ZINC000481339352 896705418 /nfs/dbraw/zinc/70/54/18/896705418.db2.gz KFGHABYBLCDDMT-UHFFFAOYSA-N 0 0 405.252 4.257 20 5 HIBDRN CCn1c(SCc2cc(C(=O)OC)sc2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481352574 896727837 /nfs/dbraw/zinc/72/78/37/896727837.db2.gz ZEFOMCLYXUHQSV-UHFFFAOYSA-N 0 0 418.500 4.322 20 5 HIBDRN CCn1c(SCc2nc(-c3ccsc3)no2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481358077 896734081 /nfs/dbraw/zinc/73/40/81/896734081.db2.gz JRCOPHWQTZQPEE-UHFFFAOYSA-N 0 0 414.472 4.277 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000505428433 914093964 /nfs/dbraw/zinc/09/39/64/914093964.db2.gz LZHNWZXTZNOHEF-HNNXBMFYSA-N 0 0 406.332 4.385 20 5 HIBDRN O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000481366226 896750767 /nfs/dbraw/zinc/75/07/67/896750767.db2.gz BLKGGGXKAYHKCU-KRWDZBQOSA-N 0 0 415.412 4.269 20 5 HIBDRN O=C(N[C@H](C1CCCC1)C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000481366227 896751505 /nfs/dbraw/zinc/75/15/05/896751505.db2.gz BLKGGGXKAYHKCU-QGZVFWFLSA-N 0 0 415.412 4.269 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000481402133 896808190 /nfs/dbraw/zinc/80/81/90/896808190.db2.gz KITRNHKHTVVJJU-UHFFFAOYSA-N 0 0 418.222 4.176 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000481431670 896831896 /nfs/dbraw/zinc/83/18/96/896831896.db2.gz DZHUFEAJNSTALG-LJQANCHMSA-N 0 0 414.487 4.051 20 5 HIBDRN CCC(CC)(C(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000481473461 896860932 /nfs/dbraw/zinc/86/09/32/896860932.db2.gz NJVRPRMEKKPWJV-UHFFFAOYSA-N 0 0 400.475 4.295 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000481520243 896886455 /nfs/dbraw/zinc/88/64/55/896886455.db2.gz MRWWIBGHDVKNGT-QGZVFWFLSA-N 0 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898545508 /nfs/dbraw/zinc/54/55/08/898545508.db2.gz HHPQZOIXGAGKFR-GOSISDBHSA-N 0 0 411.502 4.024 20 5 HIBDRN C[C@@H](N[C@H](C)c1ccc(Br)cn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000482967583 898600755 /nfs/dbraw/zinc/60/07/55/898600755.db2.gz XOGLUROLNLWVIA-GHMZBOCLSA-N 0 0 418.251 4.214 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000483106517 898800893 /nfs/dbraw/zinc/80/08/93/898800893.db2.gz COEJLXQNFNRVHR-UHFFFAOYSA-N 0 0 416.499 4.403 20 5 HIBDRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000483118603 898807762 /nfs/dbraw/zinc/80/77/62/898807762.db2.gz ZKRXNWHJQDFZJY-UHFFFAOYSA-N 0 0 420.425 4.011 20 5 HIBDRN CCN(Cc1ccc(OC)cc1)C(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000483130590 898812967 /nfs/dbraw/zinc/81/29/67/898812967.db2.gz PGYPHQSSWHUUOI-UHFFFAOYSA-N 0 0 404.488 4.004 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000483151097 898826926 /nfs/dbraw/zinc/82/69/26/898826926.db2.gz CCXRHUPUCCXLDP-UHFFFAOYSA-N 0 0 421.844 4.114 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000505588143 914294892 /nfs/dbraw/zinc/29/48/92/914294892.db2.gz VMXVEKHHMUFCBU-DOTOQJQBSA-N 0 0 419.403 4.500 20 5 HIBDRN Cc1cc(C)c(-c2nnc(SCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)o2)c(C)c1 ZINC000483270122 898909044 /nfs/dbraw/zinc/90/90/44/898909044.db2.gz MLUVLMYKBJQWHU-UHFFFAOYSA-N 0 0 424.482 4.251 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000505591750 914297360 /nfs/dbraw/zinc/29/73/60/914297360.db2.gz UGDDFJOLMSENBY-UHFFFAOYSA-N 0 0 407.239 4.187 20 5 HIBDRN COc1c(C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000483307161 898937424 /nfs/dbraw/zinc/93/74/24/898937424.db2.gz LUOTWIWXSDWVLU-UHFFFAOYSA-N 0 0 401.419 4.354 20 5 HIBDRN CCOC(=O)[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccc(O)c1 ZINC000483347470 898980960 /nfs/dbraw/zinc/98/09/60/898980960.db2.gz WGWHJXCRHXNDQO-HXUWFJFHSA-N 0 0 412.467 4.423 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(CC(F)(F)F)c2nc(C)cs2)cc1SC ZINC000483367958 899003862 /nfs/dbraw/zinc/00/38/62/899003862.db2.gz ANPDBEUDVAEPAV-UHFFFAOYSA-N 0 0 421.422 4.299 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCC(Oc3ccccc3)CC2)cc1SC ZINC000483371550 899007818 /nfs/dbraw/zinc/00/78/18/899007818.db2.gz HDHZEKZZYNMSKO-UHFFFAOYSA-N 0 0 402.472 4.009 20 5 HIBDRN CCc1cnc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)o1 ZINC000505601162 914307351 /nfs/dbraw/zinc/30/73/51/914307351.db2.gz CFIYRNVGKFPOSY-UHFFFAOYSA-N 0 0 414.849 4.341 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000483419770 899048559 /nfs/dbraw/zinc/04/85/59/899048559.db2.gz QFVQTHYSEMMCRL-LSDHHAIUSA-N 0 0 417.487 4.026 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1SC ZINC000483436012 899068358 /nfs/dbraw/zinc/06/83/58/899068358.db2.gz GUKPNNOBNOYLEH-LPHOPBHVSA-N 0 0 420.462 4.115 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCOc2cccc3ccccc32)cc1SC ZINC000483439223 899073570 /nfs/dbraw/zinc/07/35/70/899073570.db2.gz NNKCCXGMCIFTRL-UHFFFAOYSA-N 0 0 412.467 4.287 20 5 HIBDRN C[C@H]1CN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)S1=O ZINC000483441953 899076798 /nfs/dbraw/zinc/07/67/98/899076798.db2.gz QRCLTSGBEUOOQE-KBPBESRZSA-N 0 0 408.907 4.382 20 5 HIBDRN CCOc1cc(O)ccc1NC(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-] ZINC000483487429 899140718 /nfs/dbraw/zinc/14/07/18/899140718.db2.gz FROJTRVZKKZRIU-UHFFFAOYSA-N 0 0 405.407 4.141 20 5 HIBDRN CCOc1cc(NC(=O)N(CCOC)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000483493613 899148332 /nfs/dbraw/zinc/14/83/32/899148332.db2.gz XFYQWQKUJVOCSP-HUUCEWRRSA-N 0 0 409.483 4.061 20 5 HIBDRN CCn1c(CNCc2ccc([N+](=O)[O-])cc2F)nc2cc(Br)ccc21 ZINC000483492428 899148583 /nfs/dbraw/zinc/14/85/83/899148583.db2.gz UDSKJHIVJHNEAN-UHFFFAOYSA-N 0 0 407.243 4.156 20 5 HIBDRN COc1ccc2nc(C3CC3)cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2c1 ZINC000505623629 914323590 /nfs/dbraw/zinc/32/35/90/914323590.db2.gz UNDUUTHUYWOLJW-UHFFFAOYSA-N 0 0 403.438 4.228 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(F)cc1Br ZINC000483608079 899259055 /nfs/dbraw/zinc/25/90/55/899259055.db2.gz SSNHWEUDJLSDBK-UHFFFAOYSA-N 0 0 412.215 4.169 20 5 HIBDRN Cc1cc(Sc2ncccn2)ccc1NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000483715949 899374657 /nfs/dbraw/zinc/37/46/57/899374657.db2.gz TULRMHWIBHLVJF-UHFFFAOYSA-N 0 0 409.471 4.475 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC2(CCOCC2)c2ccccc21 ZINC000483769925 899431356 /nfs/dbraw/zinc/43/13/56/899431356.db2.gz OJLQFRJRHTXGFC-CQSZACIVSA-N 0 0 415.877 4.144 20 5 HIBDRN CO[C@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 ZINC000483802708 899477122 /nfs/dbraw/zinc/47/71/22/899477122.db2.gz TVBVPAPSRQWKPG-AWEZNQCLSA-N 0 0 423.828 4.110 20 5 HIBDRN Cc1c(NC(=O)NC[C@@H](C)Oc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000483858678 899542160 /nfs/dbraw/zinc/54/21/60/899542160.db2.gz FANWDXYEDHJNJG-LLVKDONJSA-N 0 0 408.252 4.255 20 5 HIBDRN Cc1nc2ccc(C(=O)N(C)c3nc(-c4ccccc4[N+](=O)[O-])cs3)cc2n1C ZINC000483982311 899625500 /nfs/dbraw/zinc/62/55/00/899625500.db2.gz RBJKXXMHOPCDNJ-UHFFFAOYSA-N 0 0 407.455 4.190 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1C ZINC000484088673 899720872 /nfs/dbraw/zinc/72/08/72/899720872.db2.gz LQJPVDVACOEEJC-CQSZACIVSA-N 0 0 410.474 4.350 20 5 HIBDRN Cc1onc(-c2ccccc2C)c1C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000484095238 899725023 /nfs/dbraw/zinc/72/50/23/899725023.db2.gz HQLUCRQCOYWGIP-UHFFFAOYSA-N 0 0 402.410 4.397 20 5 HIBDRN COc1ccc(F)cc1CC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000484104416 899730655 /nfs/dbraw/zinc/73/06/55/899730655.db2.gz FMCVUJATIFVZAT-UHFFFAOYSA-N 0 0 401.419 4.356 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000505691619 914380482 /nfs/dbraw/zinc/38/04/82/914380482.db2.gz ITQJMHHSVPPTSE-UHFFFAOYSA-N 0 0 415.534 4.147 20 5 HIBDRN COc1ccc(CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 ZINC000484262925 899840207 /nfs/dbraw/zinc/84/02/07/899840207.db2.gz LDHIPUPEEVCCET-MRXNPFEDSA-N 0 0 420.469 4.230 20 5 HIBDRN CCc1ccc([C@H]2CN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCO2)cc1 ZINC000484340723 899891004 /nfs/dbraw/zinc/89/10/04/899891004.db2.gz NNWGMJOKJZYVMO-VBKZILBWSA-N 0 0 417.893 4.211 20 5 HIBDRN CCc1ccc([C@H]2CN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCO2)cc1 ZINC000484340719 899891098 /nfs/dbraw/zinc/89/10/98/899891098.db2.gz NNWGMJOKJZYVMO-JLTOFOAXSA-N 0 0 417.893 4.211 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000484363202 899910040 /nfs/dbraw/zinc/91/00/40/899910040.db2.gz CXAYRWBYTRTHCG-OAHLLOKOSA-N 0 0 422.441 4.351 20 5 HIBDRN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000484437154 899944041 /nfs/dbraw/zinc/94/40/41/899944041.db2.gz IKSCOLXNZSUOBW-JXFKEZNVSA-N 0 0 400.500 4.369 20 5 HIBDRN Cc1c(CNC(=O)Nc2cccc3c2CN(c2ccccn2)C3)cccc1[N+](=O)[O-] ZINC000484474382 899967957 /nfs/dbraw/zinc/96/79/57/899967957.db2.gz KELBAVYFKDICJX-UHFFFAOYSA-N 0 0 403.442 4.140 20 5 HIBDRN COc1cc(C(=O)NC2(Cc3cccc(F)c3)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000484511072 900002469 /nfs/dbraw/zinc/00/24/69/900002469.db2.gz LVLZQXQNHKTSDT-UHFFFAOYSA-N 0 0 424.375 4.239 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cc1[N+](=O)[O-] ZINC000484584821 900049331 /nfs/dbraw/zinc/04/93/31/900049331.db2.gz OOEBUYIHUIXQLC-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000484594200 900057595 /nfs/dbraw/zinc/05/75/95/900057595.db2.gz AZGMRUWMYLOENJ-UHFFFAOYSA-N 0 0 419.210 4.149 20 5 HIBDRN COc1ccc(Nc2nnc(SCc3ccc([N+](=O)[O-])c(OC)c3)s2)cc1 ZINC000484648790 900093954 /nfs/dbraw/zinc/09/39/54/900093954.db2.gz YMHMFEMAMLWSNM-UHFFFAOYSA-N 0 0 404.473 4.499 20 5 HIBDRN O=C(CSc1nnc(-c2cc3ccccc3o2)o1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000484724596 900154775 /nfs/dbraw/zinc/15/47/75/900154775.db2.gz HYSFHBKSDLQHRL-UHFFFAOYSA-N 0 0 422.422 4.072 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000505741826 914420487 /nfs/dbraw/zinc/42/04/87/914420487.db2.gz KSBIXLMPZOHIQC-UHFFFAOYSA-N 0 0 400.504 4.022 20 5 HIBDRN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000484819747 900221764 /nfs/dbraw/zinc/22/17/64/900221764.db2.gz APFOHWSTBHKQSI-UHFFFAOYSA-N 0 0 420.290 4.367 20 5 HIBDRN CC[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1ccccc1F ZINC000484824465 900226797 /nfs/dbraw/zinc/22/67/97/900226797.db2.gz VMDIRKZGWMASSK-INIZCTEOSA-N 0 0 401.438 4.239 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000484868629 900257189 /nfs/dbraw/zinc/25/71/89/900257189.db2.gz UNRCGVWGZAVDIU-YADHBBJMSA-N 0 0 422.481 4.348 20 5 HIBDRN O=[N+]([O-])c1c(NCC2(c3ccc4c(c3)OCO4)CCOCC2)ccc2ncccc21 ZINC000484874516 900261903 /nfs/dbraw/zinc/26/19/03/900261903.db2.gz DSFNSMZWYRDJAR-UHFFFAOYSA-N 0 0 407.426 4.032 20 5 HIBDRN COc1cc(CCNC(=O)C[C@H](c2ccccc2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000484882427 900268089 /nfs/dbraw/zinc/26/80/89/900268089.db2.gz SJKIWHQLNUUMDD-SFHVURJKSA-N 0 0 400.475 4.101 20 5 HIBDRN COc1ccccc1N(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000484900844 900280252 /nfs/dbraw/zinc/28/02/52/900280252.db2.gz PILUBGFWKQRNSY-UHFFFAOYSA-N 0 0 407.264 4.350 20 5 HIBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000484902987 900283763 /nfs/dbraw/zinc/28/37/63/900283763.db2.gz GAADHDDHHVGDBZ-SFHVURJKSA-N 0 0 414.259 4.483 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1ccc(C)cc1 ZINC000485007344 900357822 /nfs/dbraw/zinc/35/78/22/900357822.db2.gz WKQFNMWPNNRGMH-UHFFFAOYSA-N 0 0 402.516 4.349 20 5 HIBDRN COc1ccc(-c2nc(C)c([C@@H](C)Nc3ccc(C(N)=O)cc3[N+](=O)[O-])s2)cc1 ZINC000505772817 914439222 /nfs/dbraw/zinc/43/92/22/914439222.db2.gz JUGKSZOCVCFUPT-LLVKDONJSA-N 0 0 412.471 4.307 20 5 HIBDRN CN(CCOc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485097316 900407482 /nfs/dbraw/zinc/40/74/82/900407482.db2.gz RPIXAMQQRZDNHM-UHFFFAOYSA-N 0 0 400.765 4.001 20 5 HIBDRN CCCCCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC)CC1 ZINC000505775366 914441732 /nfs/dbraw/zinc/44/17/32/914441732.db2.gz BQDCURQDQVTBHJ-UHFFFAOYSA-N 0 0 421.563 4.256 20 5 HIBDRN CCCCn1ncc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C(C)C ZINC000485144822 900444413 /nfs/dbraw/zinc/44/44/13/900444413.db2.gz KVJPGUILXWNGRD-UHFFFAOYSA-N 0 0 414.510 4.069 20 5 HIBDRN CCc1noc(COc2ccc(Oc3ncc([N+](=O)[O-])cc3Br)cc2)n1 ZINC000485156205 900454618 /nfs/dbraw/zinc/45/46/18/900454618.db2.gz CFDZCFLRKYTLMR-UHFFFAOYSA-N 0 0 421.207 4.069 20 5 HIBDRN CCOc1cc(Br)c(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000485158424 900457229 /nfs/dbraw/zinc/45/72/29/900457229.db2.gz HRZPTJVRHYGJFL-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN COc1ccc(Cc2nnc(Sc3ccc4ncccc4c3[N+](=O)[O-])o2)cc1OC ZINC000485170366 900467298 /nfs/dbraw/zinc/46/72/98/900467298.db2.gz FENJWZSTDINJRP-UHFFFAOYSA-N 0 0 424.438 4.285 20 5 HIBDRN CCCCn1ncc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1C(C)C ZINC000485187394 900481910 /nfs/dbraw/zinc/48/19/10/900481910.db2.gz YIFBPLUKVBEYSD-UHFFFAOYSA-N 0 0 414.510 4.069 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC000485187765 900483767 /nfs/dbraw/zinc/48/37/67/900483767.db2.gz IFJCDIULCSDHOR-JTQLQIEISA-N 0 0 424.226 4.109 20 5 HIBDRN COc1cc(C(=O)N(CC(F)(F)F)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000485221817 900508112 /nfs/dbraw/zinc/50/81/12/900508112.db2.gz RGMVMNXNPITAQJ-UHFFFAOYSA-N 0 0 412.311 4.152 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000485233304 900518536 /nfs/dbraw/zinc/51/85/36/900518536.db2.gz BURZRXFWSWJTDR-NRFANRHFSA-N 0 0 409.486 4.228 20 5 HIBDRN COc1ccc(C)cc1NC(=O)CSc1ccc(Br)cc1[N+](=O)[O-] ZINC000485265716 900548776 /nfs/dbraw/zinc/54/87/76/900548776.db2.gz VPCYPCZHPUPMNU-UHFFFAOYSA-N 0 0 411.277 4.405 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1F ZINC000485280757 900559613 /nfs/dbraw/zinc/55/96/13/900559613.db2.gz BPDYLHNZDAWQEQ-SNVBAGLBSA-N 0 0 409.801 4.365 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000505792634 914457339 /nfs/dbraw/zinc/45/73/39/914457339.db2.gz JTEUETRVLYBWQX-UHFFFAOYSA-N 0 0 410.499 4.272 20 5 HIBDRN Cc1cc(C)n(Cc2cccc(-c3noc(COc4ccc([N+](=O)[O-])c(C)c4)n3)c2)n1 ZINC000485366176 900661738 /nfs/dbraw/zinc/66/17/38/900661738.db2.gz YPINYVWTYJESOG-UHFFFAOYSA-N 0 0 419.441 4.394 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(OC[C@@H]3CCCCO3)CC2)nc1-c1ccc(F)cc1 ZINC000485390812 900686918 /nfs/dbraw/zinc/68/69/18/900686918.db2.gz NNMYVRSNEAGBHR-IBGZPJMESA-N 0 0 415.465 4.350 20 5 HIBDRN O=C(c1ccco1)N1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485392448 900688932 /nfs/dbraw/zinc/68/89/32/900688932.db2.gz UWYXUFMCFBWDCN-UHFFFAOYSA-N 0 0 410.405 4.106 20 5 HIBDRN Cc1c(NS(=O)(=O)c2ccc3ncccc3c2)cc(Br)cc1[N+](=O)[O-] ZINC000485395043 900692277 /nfs/dbraw/zinc/69/22/77/900692277.db2.gz BUXLBSVOXVZOCD-UHFFFAOYSA-N 0 0 422.260 4.015 20 5 HIBDRN O=C(c1ccoc1)N1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485403993 900701924 /nfs/dbraw/zinc/70/19/24/900701924.db2.gz LDBUNDUGVJEELO-UHFFFAOYSA-N 0 0 410.405 4.106 20 5 HIBDRN COCCn1cc2c(n1)[C@@H](Nc1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CCC2 ZINC000485405304 900703779 /nfs/dbraw/zinc/70/37/79/900703779.db2.gz KQKFLMWEDSLTND-KRWDZBQOSA-N 0 0 411.437 4.128 20 5 HIBDRN CS(=O)(=O)Cc1ccc(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cc1 ZINC000485404901 900704094 /nfs/dbraw/zinc/70/40/94/900704094.db2.gz LOWHVOWKNWBEMV-UHFFFAOYSA-N 0 0 401.419 4.084 20 5 HIBDRN COc1ccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1 ZINC000485409054 900706582 /nfs/dbraw/zinc/70/65/82/900706582.db2.gz LYHSADNENFHHIR-UHFFFAOYSA-N 0 0 416.499 4.333 20 5 HIBDRN O=C(NCCCOC1CCOCC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000485443261 900740111 /nfs/dbraw/zinc/74/01/11/900740111.db2.gz TVLSQQWZLYHHME-UHFFFAOYSA-N 0 0 416.499 4.062 20 5 HIBDRN CC(C)(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000485495236 900784527 /nfs/dbraw/zinc/78/45/27/900784527.db2.gz BRUFPIYEQVKSRN-UHFFFAOYSA-N 0 0 401.257 4.266 20 5 HIBDRN CSc1cccc(C(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000485514256 900799193 /nfs/dbraw/zinc/79/91/93/900799193.db2.gz ITGGEZTXQFURDJ-HNNXBMFYSA-N 0 0 424.425 4.132 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCCc3cccc(F)c3F)cc2[N+](=O)[O-])C1 ZINC000485568501 900838271 /nfs/dbraw/zinc/83/82/71/900838271.db2.gz JVBYNAVASRIRHI-CQSZACIVSA-N 0 0 403.429 4.082 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1nnc(-c2ccccc2)s1 ZINC000485589795 900852525 /nfs/dbraw/zinc/85/25/25/900852525.db2.gz BJBXYWNCPITDGO-UHFFFAOYSA-N 0 0 423.376 4.454 20 5 HIBDRN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000485592198 900854735 /nfs/dbraw/zinc/85/47/35/900854735.db2.gz UTMPJHDIZACMQP-LBPRGKRZSA-N 0 0 404.291 4.272 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cnc(-c2ccccc2)nc1 ZINC000485595722 900857427 /nfs/dbraw/zinc/85/74/27/900857427.db2.gz AMNSGDAPFCCWLA-UHFFFAOYSA-N 0 0 417.347 4.392 20 5 HIBDRN CCCc1nc(C)c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)s1 ZINC000485616812 900873542 /nfs/dbraw/zinc/87/35/42/900873542.db2.gz BOEOBHKZOBENRI-UHFFFAOYSA-N 0 0 413.503 4.426 20 5 HIBDRN O=C(NC[C@H](c1ccccc1)C(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000485621656 900877512 /nfs/dbraw/zinc/87/75/12/900877512.db2.gz IMZLKJQKIFKPKH-QGZVFWFLSA-N 0 0 421.419 4.274 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000485653567 900906496 /nfs/dbraw/zinc/90/64/96/900906496.db2.gz GJLQYWCQXZXURK-GOSISDBHSA-N 0 0 406.385 4.394 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000485685750 900935888 /nfs/dbraw/zinc/93/58/88/900935888.db2.gz YWULZYQAXZCURC-UHFFFAOYSA-N 0 0 410.348 4.019 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c1[N+](=O)[O-] ZINC000485728807 900980621 /nfs/dbraw/zinc/98/06/21/900980621.db2.gz BGJCHNOSZPEFHK-UHFFFAOYSA-N 0 0 419.890 4.458 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000485731912 900983936 /nfs/dbraw/zinc/98/39/36/900983936.db2.gz ISVPLDRRUSCIOR-KBPBESRZSA-N 0 0 401.488 4.183 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@@]2(CCCOC2)C1 ZINC000485733378 900987617 /nfs/dbraw/zinc/98/76/17/900987617.db2.gz NGGHNZVCGKAODV-HSZRJFAPSA-N 0 0 410.470 4.207 20 5 HIBDRN CC(=O)c1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c(C)nc1C ZINC000485743317 900998488 /nfs/dbraw/zinc/99/84/88/900998488.db2.gz QQUCCPRELMFISI-UHFFFAOYSA-N 0 0 410.455 4.493 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1C ZINC000485748801 901004110 /nfs/dbraw/zinc/00/41/10/901004110.db2.gz BXOZNUNEZVLVTH-UHFFFAOYSA-N 0 0 410.821 4.179 20 5 HIBDRN O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000485762874 901019436 /nfs/dbraw/zinc/01/94/36/901019436.db2.gz RYWJCDIHZDVZJH-GFCCVEGCSA-N 0 0 424.682 4.019 20 5 HIBDRN COCCOc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000485766853 901023283 /nfs/dbraw/zinc/02/32/83/901023283.db2.gz NPONXMSODPCHCF-UHFFFAOYSA-N 0 0 422.437 4.451 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000485772444 901028921 /nfs/dbraw/zinc/02/89/21/901028921.db2.gz NEODGYNOSNZSCK-DNVCBOLYSA-N 0 0 420.412 4.402 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000485841777 901087022 /nfs/dbraw/zinc/08/70/22/901087022.db2.gz FLGNEQSPPAJVCU-UHFFFAOYSA-N 0 0 405.545 4.405 20 5 HIBDRN CC(C)(C)c1ccc(-c2noc(CCCn3c4ccc([N+](=O)[O-])cc4oc3=O)n2)cc1 ZINC000485855682 901098737 /nfs/dbraw/zinc/09/87/37/901098737.db2.gz BIUZGWMAOHGLGV-UHFFFAOYSA-N 0 0 422.441 4.483 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(C)c(C)nn1-c1ccc(Cl)cc1 ZINC000485858631 901100360 /nfs/dbraw/zinc/10/03/60/901100360.db2.gz KWKPETXTUXOYKN-UHFFFAOYSA-N 0 0 400.822 4.312 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)Cc3ccc(F)cc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000485902432 901132124 /nfs/dbraw/zinc/13/21/24/901132124.db2.gz XFFNJHMPSDBWBM-UHFFFAOYSA-N 0 0 410.449 4.176 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(c2c(F)cccc2F)CC1 ZINC000485906065 901135414 /nfs/dbraw/zinc/13/54/14/901135414.db2.gz MGUOHKOBFWXRGF-CYBMUJFWSA-N 0 0 419.428 4.088 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000485925235 901151029 /nfs/dbraw/zinc/15/10/29/901151029.db2.gz LNBSRIOTNMOBGJ-QKNQBKEWSA-N 0 0 400.500 4.083 20 5 HIBDRN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000485941829 901162723 /nfs/dbraw/zinc/16/27/23/901162723.db2.gz BTCQPCXIPSFURF-MRXNPFEDSA-N 0 0 403.438 4.267 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC(c2c(F)cccc2F)CC1 ZINC000485942949 901162735 /nfs/dbraw/zinc/16/27/35/901162735.db2.gz TWCXOVKMGVYKGN-UHFFFAOYSA-N 0 0 416.833 4.095 20 5 HIBDRN COC(=O)c1cc(NC(=O)COc2c(Cl)cccc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000485948963 901170158 /nfs/dbraw/zinc/17/01/58/901170158.db2.gz DYRQLIJMTPXDAX-UHFFFAOYSA-N 0 0 413.213 4.014 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c(C)c([N+](=O)[O-])c1 ZINC000485952024 901170854 /nfs/dbraw/zinc/17/08/54/901170854.db2.gz OUOMNSVVXIUXEN-CABCVRRESA-N 0 0 422.359 4.451 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H](C)c2ccc(Br)cc2)c(C)c([N+](=O)[O-])c1 ZINC000485960766 901177621 /nfs/dbraw/zinc/17/76/21/901177621.db2.gz ZSOQIJGSWUDEQV-SNVBAGLBSA-N 0 0 421.247 4.195 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000485965048 901180234 /nfs/dbraw/zinc/18/02/34/901180234.db2.gz HCPAWACXFNOGFH-ZDUSSCGKSA-N 0 0 413.499 4.329 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(CCC(F)(F)F)cc2)c(C)c([N+](=O)[O-])c1 ZINC000485963510 901180963 /nfs/dbraw/zinc/18/09/63/901180963.db2.gz ZXGJCYVOOIBSPO-UHFFFAOYSA-N 0 0 410.348 4.437 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)F)c(C)c([N+](=O)[O-])c1 ZINC000485981278 901201003 /nfs/dbraw/zinc/20/10/03/901201003.db2.gz OLFPQMBIICSECP-ZIAGYGMSSA-N 0 0 420.368 4.033 20 5 HIBDRN COc1cc(C(=O)Nc2cnc(C)nc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000485986932 901205657 /nfs/dbraw/zinc/20/56/57/901205657.db2.gz GRZVLBDDUYVREK-UHFFFAOYSA-N 0 0 414.805 4.400 20 5 HIBDRN COc1ccc(-c2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)cc1[N+](=O)[O-] ZINC000485990990 901210254 /nfs/dbraw/zinc/21/02/54/901210254.db2.gz PWRHSXUIMKDPNC-UHFFFAOYSA-N 0 0 415.768 4.299 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2ncccc2I)cc(C(F)(F)F)c1 ZINC000486013901 901222451 /nfs/dbraw/zinc/22/24/51/901222451.db2.gz FAYLUOGNOHKSNB-UHFFFAOYSA-N 0 0 423.132 4.225 20 5 HIBDRN O=C(CCc1cccc(Br)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486018575 901226205 /nfs/dbraw/zinc/22/62/05/901226205.db2.gz RXOJCBAHQAIYLU-UHFFFAOYSA-N 0 0 403.276 4.481 20 5 HIBDRN O=c1c(Cl)c(/C=C\c2csc([N+](=O)[O-])c2)nc2ccc(Br)cn12 ZINC000486030317 901234525 /nfs/dbraw/zinc/23/45/25/901234525.db2.gz POQRCUKTUCVRND-IWQZZHSRSA-N 0 0 412.652 4.251 20 5 HIBDRN Cc1ccc(-c2noc(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2)cc1F ZINC000486048654 901247562 /nfs/dbraw/zinc/24/75/62/901247562.db2.gz ZGIQKZYAWAPMCS-UHFFFAOYSA-N 0 0 424.432 4.216 20 5 HIBDRN CN(Cc1ccc(F)c(Cl)c1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486085718 901273841 /nfs/dbraw/zinc/27/38/41/901273841.db2.gz AWEGGVSMSSVQFY-UHFFFAOYSA-N 0 0 407.648 4.484 20 5 HIBDRN O=C(Cc1ccc(F)c(Br)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486097294 901285739 /nfs/dbraw/zinc/28/57/39/901285739.db2.gz PQIYACYLZGANKL-UHFFFAOYSA-N 0 0 407.239 4.230 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000486103228 901290044 /nfs/dbraw/zinc/29/00/44/901290044.db2.gz QCTVFPATLQZLTM-NRFANRHFSA-N 0 0 411.483 4.373 20 5 HIBDRN Cn1c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc2ccc(F)cc21 ZINC000486124161 901310504 /nfs/dbraw/zinc/31/05/04/901310504.db2.gz FLYNVFGTEWHXOV-UHFFFAOYSA-N 0 0 420.400 4.452 20 5 HIBDRN O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1sc(Br)cc1[N+](=O)[O-] ZINC000486125262 901311862 /nfs/dbraw/zinc/31/18/62/901311862.db2.gz HVCUGBKLNXOIKH-SNVBAGLBSA-N 0 0 415.240 4.202 20 5 HIBDRN O=C(Nc1ccc(C(F)(F)F)nn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486129433 901316330 /nfs/dbraw/zinc/31/63/30/901316330.db2.gz XZIAVSRUVYEURP-UHFFFAOYSA-N 0 0 418.331 4.235 20 5 HIBDRN CN(C)C(=O)Nc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(Cl)c1 ZINC000486136760 901325039 /nfs/dbraw/zinc/32/50/39/901325039.db2.gz UUMOPUSMEVLOFO-UHFFFAOYSA-N 0 0 416.865 4.147 20 5 HIBDRN COc1ccc(Br)c(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000486155318 901343775 /nfs/dbraw/zinc/34/37/75/901343775.db2.gz UYPBBWUSSHIXSI-UHFFFAOYSA-N 0 0 419.275 4.100 20 5 HIBDRN Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nn1-c1ccc(C)cc1 ZINC000486160709 901349441 /nfs/dbraw/zinc/34/94/41/901349441.db2.gz CORGCPVOEUYQMB-UHFFFAOYSA-N 0 0 421.276 4.474 20 5 HIBDRN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000486166687 901353164 /nfs/dbraw/zinc/35/31/64/901353164.db2.gz RARDUCOQHKZQMC-UHFFFAOYSA-N 0 0 420.347 4.125 20 5 HIBDRN O=C(CNc1cccc(COC2CCCCC2)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000486167431 901354360 /nfs/dbraw/zinc/35/43/60/901354360.db2.gz OXUBNJHOWKEINQ-UHFFFAOYSA-N 0 0 409.486 4.445 20 5 HIBDRN C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000486179715 901365600 /nfs/dbraw/zinc/36/56/00/901365600.db2.gz XTRIDMOIKFLKSC-ITMYJUKJSA-N 0 0 411.277 4.102 20 5 HIBDRN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486182169 901368413 /nfs/dbraw/zinc/36/84/13/901368413.db2.gz BVBHXXBISVWMBE-UNMCSNQZSA-N 0 0 420.469 4.284 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1F ZINC000486188090 901373111 /nfs/dbraw/zinc/37/31/11/901373111.db2.gz OSVASLLUHBNBHY-SSDOTTSWSA-N 0 0 403.229 4.058 20 5 HIBDRN CSc1cccc(C(=O)NCCc2nc3ccccc3n2C(F)F)c1[N+](=O)[O-] ZINC000486220534 901404116 /nfs/dbraw/zinc/40/41/16/901404116.db2.gz GNGVQJINEDUJMF-UHFFFAOYSA-N 0 0 406.414 4.034 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccccc2CN2CCSCC2)c1[N+](=O)[O-] ZINC000486238884 901420689 /nfs/dbraw/zinc/42/06/89/901420689.db2.gz FCDUMAXEHMGBFZ-UHFFFAOYSA-N 0 0 403.529 4.118 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCSc2c(F)cccc21 ZINC000486254462 901437570 /nfs/dbraw/zinc/43/75/70/901437570.db2.gz SRGZLDOZQXBKAV-OAHLLOKOSA-N 0 0 409.870 4.466 20 5 HIBDRN C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000486272271 901455152 /nfs/dbraw/zinc/45/51/52/901455152.db2.gz RASOUABZBFJJEO-NSHDSACASA-N 0 0 404.879 4.461 20 5 HIBDRN O=C(Nc1ccn(CC(F)(F)F)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486313485 901492151 /nfs/dbraw/zinc/49/21/51/901492151.db2.gz ASLMTZLVIAEXBB-UHFFFAOYSA-N 0 0 420.347 4.185 20 5 HIBDRN O=C(NCc1ccccc1Br)c1sc(Br)cc1[N+](=O)[O-] ZINC000486327781 901504377 /nfs/dbraw/zinc/50/43/77/901504377.db2.gz JJQKRKAPVPMJDG-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000486330675 901507180 /nfs/dbraw/zinc/50/71/80/901507180.db2.gz VMANSVJDGXVQML-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000486338578 901513162 /nfs/dbraw/zinc/51/31/62/901513162.db2.gz JKJUIYUEZMRLJD-OAHLLOKOSA-N 0 0 420.421 4.394 20 5 HIBDRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486363641 901532930 /nfs/dbraw/zinc/53/29/30/901532930.db2.gz YUWNJQYZVLANFB-UHFFFAOYSA-N 0 0 401.488 4.034 20 5 HIBDRN C[C@@](O)(C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1CCC1 ZINC000486394532 901557692 /nfs/dbraw/zinc/55/76/92/901557692.db2.gz MUQKKJRCPINOSH-FQEVSTJZSA-N 0 0 422.840 4.347 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)cc2)n1 ZINC000486410861 901570121 /nfs/dbraw/zinc/57/01/21/901570121.db2.gz VBWOQWAAGFLIHU-CQSZACIVSA-N 0 0 414.412 4.095 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1[N+](=O)[O-] ZINC000486413086 901571631 /nfs/dbraw/zinc/57/16/31/901571631.db2.gz WHUUTWJPYVRVJW-NSHDSACASA-N 0 0 416.434 4.305 20 5 HIBDRN CCc1c(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000486414892 901573326 /nfs/dbraw/zinc/57/33/26/901573326.db2.gz WNZUKSMWABGSRF-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000486415081 901573449 /nfs/dbraw/zinc/57/34/49/901573449.db2.gz GTCQNINJBHMDIQ-GOSISDBHSA-N 0 0 410.499 4.301 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1sccc1Br ZINC000486419734 901578283 /nfs/dbraw/zinc/57/82/83/901578283.db2.gz OFESABNEFQRSKA-UHFFFAOYSA-N 0 0 418.700 4.114 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccnc(OCc3ccccc3)c2)c1[N+](=O)[O-] ZINC000486421142 901579628 /nfs/dbraw/zinc/57/96/28/901579628.db2.gz WQCMSIKWIBWUNK-UHFFFAOYSA-N 0 0 409.467 4.221 20 5 HIBDRN CSc1cccc(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c1[N+](=O)[O-] ZINC000486427875 901587450 /nfs/dbraw/zinc/58/74/50/901587450.db2.gz KBKHMYFWVUJUAU-UHFFFAOYSA-N 0 0 424.269 4.457 20 5 HIBDRN CCCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H](C)c1ccccc1OC ZINC000486429202 901588576 /nfs/dbraw/zinc/58/85/76/901588576.db2.gz WRIHERCCLGRRDM-MRXNPFEDSA-N 0 0 408.458 4.403 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1[N+](=O)[O-] ZINC000486431106 901590080 /nfs/dbraw/zinc/59/00/80/901590080.db2.gz IUQLHRZUPRJBHQ-NSHDSACASA-N 0 0 416.434 4.305 20 5 HIBDRN CSc1cccc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000486431739 901591488 /nfs/dbraw/zinc/59/14/88/901591488.db2.gz JEDLEALAZDVKLD-QGZVFWFLSA-N 0 0 400.500 4.181 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1cccc(C)c1 ZINC000486444074 901601653 /nfs/dbraw/zinc/60/16/53/901601653.db2.gz FCLFTXZJAOQVJE-UHFFFAOYSA-N 0 0 402.516 4.349 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4nccnc4c3)cc2[N+](=O)[O-])C1 ZINC000486448590 901608982 /nfs/dbraw/zinc/60/89/82/901608982.db2.gz VLNILUNRXSRFJM-GASCZTMLSA-N 0 0 405.458 4.273 20 5 HIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000505915384 914559706 /nfs/dbraw/zinc/55/97/06/914559706.db2.gz MVMFGCSLBBAPIR-NRFANRHFSA-N 0 0 408.433 4.235 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000486591768 901731644 /nfs/dbraw/zinc/73/16/44/901731644.db2.gz LIULWTUTJACMAV-CQSZACIVSA-N 0 0 401.419 4.027 20 5 HIBDRN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000486592049 901731960 /nfs/dbraw/zinc/73/19/60/901731960.db2.gz URVVUROIUWRWCL-UHFFFAOYSA-N 0 0 400.822 4.182 20 5 HIBDRN CC[C@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000486610143 901746311 /nfs/dbraw/zinc/74/63/11/901746311.db2.gz ZYQCPXPQXXVJTA-HNNXBMFYSA-N 0 0 411.227 4.386 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H](C)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000486611867 901747914 /nfs/dbraw/zinc/74/79/14/901747914.db2.gz NAOSZWJNZXXSMR-LBPRGKRZSA-N 0 0 417.512 4.324 20 5 HIBDRN CCCCCC(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC)CC1 ZINC000486613837 901749129 /nfs/dbraw/zinc/74/91/29/901749129.db2.gz FCAYHNXLPFVFIL-UHFFFAOYSA-N 0 0 407.536 4.008 20 5 HIBDRN C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000486615923 901750561 /nfs/dbraw/zinc/75/05/61/901750561.db2.gz MNPNXQCQPOSTBQ-QMMMGPOBSA-N 0 0 400.382 4.135 20 5 HIBDRN O=C(COc1ccc(F)c(Cl)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486691981 901797433 /nfs/dbraw/zinc/79/74/33/901797433.db2.gz WKEDPQRQAZHSMI-UHFFFAOYSA-N 0 0 406.719 4.101 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(Br)cs1 ZINC000486695088 901799686 /nfs/dbraw/zinc/79/96/86/901799686.db2.gz FYCPLTYERWXCQD-UHFFFAOYSA-N 0 0 409.183 4.368 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000486710160 901806713 /nfs/dbraw/zinc/80/67/13/901806713.db2.gz ADVLNOCPRDNYHU-WBVHZDCISA-N 0 0 400.500 4.352 20 5 HIBDRN COc1ccc(Cl)cc1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486730289 901817931 /nfs/dbraw/zinc/81/79/31/901817931.db2.gz WTQSACSPTMTLJK-UHFFFAOYSA-N 0 0 402.756 4.135 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1OC[C@H]1CCCO1 ZINC000486732665 901819406 /nfs/dbraw/zinc/81/94/06/901819406.db2.gz HIQVFFXCLXCOPD-MRXNPFEDSA-N 0 0 424.375 4.101 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(N2CCCC2)c(F)c1 ZINC000486738801 901821940 /nfs/dbraw/zinc/82/19/40/901821940.db2.gz RRTCXADTKWQDHB-UHFFFAOYSA-N 0 0 411.355 4.283 20 5 HIBDRN O=C(Nc1ccccc1Cc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000486757860 901833859 /nfs/dbraw/zinc/83/38/59/901833859.db2.gz CBVGOTRFRCZKPW-UHFFFAOYSA-N 0 0 405.458 4.251 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000486806417 901865855 /nfs/dbraw/zinc/86/58/55/901865855.db2.gz ZLCGGJKWUOORIB-LBPRGKRZSA-N 0 0 418.812 4.038 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000486821511 901874970 /nfs/dbraw/zinc/87/49/70/901874970.db2.gz SEEMZRAHXRHRKG-XOBRGWDASA-N 0 0 411.845 4.316 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-n2ccnc2)c1 ZINC000486822049 901875304 /nfs/dbraw/zinc/87/53/04/901875304.db2.gz UNSSRCJFTVYLKP-UHFFFAOYSA-N 0 0 410.499 4.459 20 5 HIBDRN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CCOC1 ZINC000486824656 901877866 /nfs/dbraw/zinc/87/78/66/901877866.db2.gz HHPRMCXBDBKBPD-FQEVSTJZSA-N 0 0 403.866 4.017 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC=C(c2cccc3ccccc32)CC1 ZINC000486848551 901894027 /nfs/dbraw/zinc/89/40/27/901894027.db2.gz WMVXACYYIXGXMI-UHFFFAOYSA-N 0 0 402.406 4.406 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@@H]2CCSc3ccccc32)c(C)c([N+](=O)[O-])c1 ZINC000486865895 901910850 /nfs/dbraw/zinc/91/08/50/901910850.db2.gz HJXZKRMPDPWVMQ-CQSZACIVSA-N 0 0 401.444 4.048 20 5 HIBDRN COC(=O)c1cc(NC(=O)NC2(c3nc(C)cs3)CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000486867097 901912992 /nfs/dbraw/zinc/91/29/92/901912992.db2.gz LDOZJZHGCUZWLL-UHFFFAOYSA-N 0 0 418.475 4.046 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486868051 901914260 /nfs/dbraw/zinc/91/42/60/901914260.db2.gz LOEOQIOHKWIMOW-WBMJQRKESA-N 0 0 415.421 4.239 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H]2CCc3cc(Cl)ccc32)c(C)c([N+](=O)[O-])c1 ZINC000486875118 901920619 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CCc1cccnc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000505989279 914656250 /nfs/dbraw/zinc/65/62/50/914656250.db2.gz GOFZTRZIRLWGBK-UHFFFAOYSA-N 0 0 422.407 4.426 20 5 HIBDRN CC(=O)Nc1ccc(C)c(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000488339935 902774927 /nfs/dbraw/zinc/77/49/27/902774927.db2.gz YTUMAMBBOHIFQW-UHFFFAOYSA-N 0 0 410.352 4.202 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1nc2ccccc2s1 ZINC000488423848 902820366 /nfs/dbraw/zinc/82/03/66/902820366.db2.gz YVFPPQJMNPZPBV-UHFFFAOYSA-N 0 0 403.485 4.220 20 5 HIBDRN CC1(C)CCc2nc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)ncc2C1 ZINC000488447725 902829703 /nfs/dbraw/zinc/82/97/03/902829703.db2.gz XIQHPVBFOCLYMK-UHFFFAOYSA-N 0 0 409.471 4.276 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000488481592 902847370 /nfs/dbraw/zinc/84/73/70/902847370.db2.gz KYJCFHRUZWOFBF-UHFFFAOYSA-N 0 0 407.879 4.348 20 5 HIBDRN COc1ccc(Br)cc1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488492967 902853881 /nfs/dbraw/zinc/85/38/81/902853881.db2.gz XIJXGFXQPZUWQO-UHFFFAOYSA-N 0 0 422.279 4.100 20 5 HIBDRN O=c1c(Cl)c(NCc2ccc(C3CC3)cc2F)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000488505176 902859770 /nfs/dbraw/zinc/85/97/70/902859770.db2.gz RCGPVNYJVTZQEU-UHFFFAOYSA-N 0 0 414.824 4.423 20 5 HIBDRN C[C@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000488758430 902982141 /nfs/dbraw/zinc/98/21/41/902982141.db2.gz JFNYTDOLWXIZGI-JTQLQIEISA-N 0 0 403.307 4.431 20 5 HIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000488773276 902989556 /nfs/dbraw/zinc/98/95/56/902989556.db2.gz FDVJBXCQXRBKIK-UHFFFAOYSA-N 0 0 416.315 4.027 20 5 HIBDRN CCC(C)(C)OCc1cccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1C ZINC000488784608 902998117 /nfs/dbraw/zinc/99/81/17/902998117.db2.gz PTFDYZNZYZEKBS-UHFFFAOYSA-N 0 0 423.473 4.441 20 5 HIBDRN C[C@H](Sc1nnc(-c2ccc(Cl)s2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000488801426 903007136 /nfs/dbraw/zinc/00/71/36/903007136.db2.gz GAFAQEILLJGIEJ-QMMMGPOBSA-N 0 0 410.864 4.479 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2nnc(Cc3cccc(F)c3)o2)cccc1[N+](=O)[O-] ZINC000488812277 903018022 /nfs/dbraw/zinc/01/80/22/903018022.db2.gz DCFLMRLJXQGQCQ-LBPRGKRZSA-N 0 0 416.434 4.135 20 5 HIBDRN CCOC(=O)c1cc2cc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)ccc2s1 ZINC000506008314 914681752 /nfs/dbraw/zinc/68/17/52/914681752.db2.gz QSCHOWVMHBDJDO-UHFFFAOYSA-N 0 0 410.411 4.115 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000488883017 903057118 /nfs/dbraw/zinc/05/71/18/903057118.db2.gz WBNLGRISUDYHID-CYBMUJFWSA-N 0 0 415.519 4.173 20 5 HIBDRN O=C(Nc1ccc(OCc2ccncc2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488938539 903086980 /nfs/dbraw/zinc/08/69/80/903086980.db2.gz SNNVCNFMHKKNOQ-UHFFFAOYSA-N 0 0 415.352 4.423 20 5 HIBDRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000489033501 903139774 /nfs/dbraw/zinc/13/97/74/903139774.db2.gz JJDNIZUVDWEQJH-OAHLLOKOSA-N 0 0 415.465 4.159 20 5 HIBDRN 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PDSWWTWVKHTDBA-UHFFFAOYSA-N 0 0 402.756 4.462 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cs1 ZINC000506126625 914814498 /nfs/dbraw/zinc/81/44/98/914814498.db2.gz UVYNKIFGYWFCGF-LBPRGKRZSA-N 0 0 411.409 4.097 20 5 HIBDRN CO[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccc(Cl)c1 ZINC000491313077 904530729 /nfs/dbraw/zinc/53/07/29/904530729.db2.gz SBNABQFIUYSSQF-IBGZPJMESA-N 0 0 403.866 4.310 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000491313350 904532346 /nfs/dbraw/zinc/53/23/46/904532346.db2.gz WZJLAPZJJPPVRD-VXKWHMMOSA-N 0 0 409.486 4.498 20 5 HIBDRN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)CC3 ZINC000491507295 904627629 /nfs/dbraw/zinc/62/76/29/904627629.db2.gz IFQHFMFXHLYHAH-AWEZNQCLSA-N 0 0 400.438 4.220 20 5 HIBDRN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000491572387 904656948 /nfs/dbraw/zinc/65/69/48/904656948.db2.gz MQYFJIHICURVMO-UHFFFAOYSA-N 0 0 405.476 4.059 20 5 HIBDRN CCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000491597604 904667660 /nfs/dbraw/zinc/66/76/60/904667660.db2.gz XFQKDWNWCCATSM-UHFFFAOYSA-N 0 0 411.867 4.014 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1[N+](=O)[O-] ZINC000491719982 904688026 /nfs/dbraw/zinc/68/80/26/904688026.db2.gz KPNHDQLHUFPWNV-UHFFFAOYSA-N 0 0 424.438 4.216 20 5 HIBDRN COc1cc(CNc2ccccc2-c2nnc(C)o2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491963570 904746828 /nfs/dbraw/zinc/74/68/28/904746828.db2.gz ZEUGJNBQZHJCKM-UHFFFAOYSA-N 0 0 420.372 4.218 20 5 HIBDRN COc1cc([C@H](NCc2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc(OC)c1OC ZINC000492583106 904873643 /nfs/dbraw/zinc/87/36/43/904873643.db2.gz ZGEGKUQIZHIGHW-KRWDZBQOSA-N 0 0 400.353 4.014 20 5 HIBDRN Cc1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])ccc1NC(=O)c1ccco1 ZINC000492710938 904892396 /nfs/dbraw/zinc/89/23/96/904892396.db2.gz OZIFYDDEZULZJW-UHFFFAOYSA-N 0 0 411.439 4.479 20 5 HIBDRN CCOc1cc(CN[C@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000492872396 904931486 /nfs/dbraw/zinc/93/14/86/904931486.db2.gz KUFWNGKGDHHTSZ-KRWDZBQOSA-N 0 0 421.379 4.010 20 5 HIBDRN O=C(COc1ccc(Br)cc1F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492909426 904945674 /nfs/dbraw/zinc/94/56/74/904945674.db2.gz CBYJESSQDQASTA-UHFFFAOYSA-N 0 0 423.238 4.066 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000493108513 905022536 /nfs/dbraw/zinc/02/25/36/905022536.db2.gz WNPVGNXLAVRHAD-OAHLLOKOSA-N 0 0 423.473 4.066 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC000493134968 905028991 /nfs/dbraw/zinc/02/89/91/905028991.db2.gz UQDUCSSEVNYIPR-UHFFFAOYSA-N 0 0 422.338 4.046 20 5 HIBDRN COc1ccc(OC)c(CN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)c1 ZINC000493134542 905029432 /nfs/dbraw/zinc/02/94/32/905029432.db2.gz SXFBVGBPWIBJGP-OAHLLOKOSA-N 0 0 413.474 4.356 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000493185658 905044232 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IMBCLTKZXDPMFR-HNNXBMFYSA-N 0 0 410.474 4.458 20 5 HIBDRN CCN(Cc1ccc(OC)cc1OC)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000493281178 905078017 /nfs/dbraw/zinc/07/80/17/905078017.db2.gz OLXACNPIPITRIP-HNNXBMFYSA-N 0 0 401.463 4.213 20 5 HIBDRN CCO[C@@H](C)c1nc(CN2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cs1 ZINC000493285088 905078584 /nfs/dbraw/zinc/07/85/84/905078584.db2.gz YBGFHEYSNSOIKH-AWEZNQCLSA-N 0 0 424.954 4.120 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000493466111 905130162 /nfs/dbraw/zinc/13/01/62/905130162.db2.gz PSYWZIYYYGQWMU-OAHLLOKOSA-N 0 0 422.281 4.298 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000493476466 905135878 /nfs/dbraw/zinc/13/58/78/905135878.db2.gz CTFDLNOQIDOSNA-HNNXBMFYSA-N 0 0 404.291 4.159 20 5 HIBDRN O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000493567743 905164037 /nfs/dbraw/zinc/16/40/37/905164037.db2.gz WKAPJPLQNHBAOL-NRFANRHFSA-N 0 0 418.453 4.115 20 5 HIBDRN COCCN(Cc1cc(Br)cs1)c1ncc([N+](=O)[O-])cc1Cl ZINC000493679795 905191884 /nfs/dbraw/zinc/19/18/84/905191884.db2.gz MOEGYMOXOMGKDM-UHFFFAOYSA-N 0 0 406.689 4.120 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1[N+](=O)[O-] ZINC000493706228 905200075 /nfs/dbraw/zinc/20/00/75/905200075.db2.gz KUNQVWKQTPEKCV-UHFFFAOYSA-N 0 0 411.483 4.171 20 5 HIBDRN O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000493776974 905217799 /nfs/dbraw/zinc/21/77/99/905217799.db2.gz RABZFAQJRIFVCY-LBPRGKRZSA-N 0 0 411.355 4.152 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493959504 905309934 /nfs/dbraw/zinc/30/99/34/905309934.db2.gz DGOSVLCUCHDYKV-AWEZNQCLSA-N 0 0 411.549 4.482 20 5 HIBDRN COc1ccccc1OC[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000494009334 905350864 /nfs/dbraw/zinc/35/08/64/905350864.db2.gz APYUSUNWOWVPJV-LBPRGKRZSA-N 0 0 412.364 4.067 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H](C)c2ccco2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000512419880 921147963 /nfs/dbraw/zinc/14/79/63/921147963.db2.gz DSCYCSUGKYJORT-LBPRGKRZSA-N 0 0 417.443 4.065 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(-c4cc[nH]n4)c3)cc2[N+](=O)[O-])C1 ZINC000494089451 905424494 /nfs/dbraw/zinc/42/44/94/905424494.db2.gz NHTGNCWHTGOAMX-HNNXBMFYSA-N 0 0 405.458 4.474 20 5 HIBDRN Cc1nc(C)n(Cc2cccc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)n1 ZINC000494117458 905462472 /nfs/dbraw/zinc/46/24/72/905462472.db2.gz UGHSERXWIPBNDR-UHFFFAOYSA-N 0 0 420.473 4.048 20 5 HIBDRN C[C@H](c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)N1CCOCC1 ZINC000494186361 905521499 /nfs/dbraw/zinc/52/14/99/905521499.db2.gz RORNHQBGTAAFEH-QGZVFWFLSA-N 0 0 424.501 4.185 20 5 HIBDRN C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000494198334 905530925 /nfs/dbraw/zinc/53/09/25/905530925.db2.gz MRTCXKPYODUMAP-SNVBAGLBSA-N 0 0 407.352 4.050 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000494233592 905560916 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Cc1nccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1Br ZINC000525850073 930466176 /nfs/dbraw/zinc/46/61/76/930466176.db2.gz LXTWMTBKLZOFPF-UHFFFAOYSA-N 0 0 410.293 4.235 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cc(O)c2ccccc2c1)c1ccccc1[N+](=O)[O-] ZINC000525924164 930484483 /nfs/dbraw/zinc/48/44/83/930484483.db2.gz SMFKAZWLTUVXRT-LJQANCHMSA-N 0 0 422.437 4.266 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000525937839 930489884 /nfs/dbraw/zinc/48/98/84/930489884.db2.gz ZLJXJAAHNZHXLT-KGLIPLIRSA-N 0 0 402.882 4.371 20 5 HIBDRN Cc1ccc(-c2ncccc2NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)s1 ZINC000526099460 930532436 /nfs/dbraw/zinc/53/24/36/930532436.db2.gz HMWUJEPRJHMCFH-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000527178125 930607006 /nfs/dbraw/zinc/60/70/06/930607006.db2.gz ZLWQJGWPKDQBCN-GFCCVEGCSA-N 0 0 419.469 4.099 20 5 HIBDRN Cc1csc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1I ZINC000527311336 930632086 /nfs/dbraw/zinc/63/20/86/930632086.db2.gz KCEIHZUGRMTGRS-UHFFFAOYSA-N 0 0 416.240 4.438 20 5 HIBDRN CC(C)c1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000527373640 930650477 /nfs/dbraw/zinc/65/04/77/930650477.db2.gz OPOCNUSAOQDEDJ-UHFFFAOYSA-N 0 0 421.497 4.415 20 5 HIBDRN O=C(NCc1ncccc1F)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000530302475 930679534 /nfs/dbraw/zinc/67/95/34/930679534.db2.gz AAVCXDLJLYDVGF-UHFFFAOYSA-N 0 0 414.824 4.324 20 5 HIBDRN C[C@H](C(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000530316614 930682515 /nfs/dbraw/zinc/68/25/15/930682515.db2.gz VLUFZYASUXNCKY-QFYYESIMSA-N 0 0 416.783 4.220 20 5 HIBDRN CC(=O)CCc1ccc2oc(C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)c(C)c2c1 ZINC000530341534 930687263 /nfs/dbraw/zinc/68/72/63/930687263.db2.gz MMQFUUAXGLWFOU-UHFFFAOYSA-N 0 0 422.437 4.074 20 5 HIBDRN COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c2ccccc21 ZINC000530448356 930712842 /nfs/dbraw/zinc/71/28/42/930712842.db2.gz XUGXGECVBAKLCL-INIZCTEOSA-N 0 0 400.456 4.012 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000530544281 930741958 /nfs/dbraw/zinc/74/19/58/930741958.db2.gz WTNJRKMLHYNHJO-UHFFFAOYSA-N 0 0 418.291 4.479 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000530564041 930749505 /nfs/dbraw/zinc/74/95/05/930749505.db2.gz IGJRLAAARSCEBJ-FQEVSTJZSA-N 0 0 408.433 4.420 20 5 HIBDRN CC(C)(NC(=O)Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000530747637 930815477 /nfs/dbraw/zinc/81/54/77/930815477.db2.gz FPQVOSDZERPOJV-UHFFFAOYSA-N 0 0 415.450 4.233 20 5 HIBDRN CCC(=O)Nc1ccc(C(=O)COc2c(C)cc(Br)cc2[N+](=O)[O-])cc1 ZINC000530766551 930819563 /nfs/dbraw/zinc/81/95/63/930819563.db2.gz BIYUSUMCYPWAJN-UHFFFAOYSA-N 0 0 421.247 4.276 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000530779850 930821673 /nfs/dbraw/zinc/82/16/73/930821673.db2.gz NEWRSMQYNLNFQG-UHFFFAOYSA-N 0 0 409.486 4.022 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(Br)ccc1-n1cccn1 ZINC000530790368 930824682 /nfs/dbraw/zinc/82/46/82/930824682.db2.gz XGPGKHHDJKTHDA-UHFFFAOYSA-N 0 0 415.247 4.114 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000531018152 930886194 /nfs/dbraw/zinc/88/61/94/930886194.db2.gz JRAORSMIXUJUMZ-UHFFFAOYSA-N 0 0 401.422 4.318 20 5 HIBDRN COc1ccccc1[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000531028245 930889935 /nfs/dbraw/zinc/88/99/35/930889935.db2.gz OSVWTJUOWOCFSE-QGZVFWFLSA-N 0 0 419.275 4.272 20 5 HIBDRN O=C(Nc1cc(C(F)(F)F)ccc1O)c1ccc([N+](=O)[O-])cc1Br ZINC000531114701 930927273 /nfs/dbraw/zinc/92/72/73/930927273.db2.gz VILHMQNEEGLQEP-UHFFFAOYSA-N 0 0 405.126 4.334 20 5 HIBDRN COc1cccc(C(NCc2ccc(OC)c([N+](=O)[O-])c2)c2cccc(OC)c2)c1 ZINC000531121613 930931787 /nfs/dbraw/zinc/93/17/87/930931787.db2.gz YQPYFFNHVBWMPG-UHFFFAOYSA-N 0 0 408.454 4.500 20 5 HIBDRN CN(c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000531216732 930970242 /nfs/dbraw/zinc/97/02/42/930970242.db2.gz RFLISMKSJXCWMM-UHFFFAOYSA-N 0 0 418.291 4.098 20 5 HIBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(F)cc1Cl ZINC000531243503 930979570 /nfs/dbraw/zinc/97/95/70/930979570.db2.gz UANWGRPCFFAARL-UHFFFAOYSA-N 0 0 417.618 4.476 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000531253432 930983017 /nfs/dbraw/zinc/98/30/17/930983017.db2.gz SMNVRLVFYAWNOJ-UHFFFAOYSA-N 0 0 405.838 4.348 20 5 HIBDRN CCC(=O)Nc1ccc(C)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000531266378 930989136 /nfs/dbraw/zinc/98/91/36/930989136.db2.gz RUZNNYUKZHBKBP-UHFFFAOYSA-N 0 0 420.263 4.195 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000531426015 931052268 /nfs/dbraw/zinc/05/22/68/931052268.db2.gz VZSJHHVMGVAYAD-ZDUSSCGKSA-N 0 0 403.154 4.391 20 5 HIBDRN CCOc1cc(C(=O)NCc2ccc(C)cc2OCC2CC2)c([N+](=O)[O-])cc1OC ZINC000531513992 931086294 /nfs/dbraw/zinc/08/62/94/931086294.db2.gz UICAERCXFOSVGR-UHFFFAOYSA-N 0 0 414.458 4.029 20 5 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CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000531869358 931228551 /nfs/dbraw/zinc/22/85/51/931228551.db2.gz GRUWQKYHCLKWRI-GFCCVEGCSA-N 0 0 416.396 4.198 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000531885679 931235350 /nfs/dbraw/zinc/23/53/50/931235350.db2.gz KYAXOTYNPLNFKK-UHFFFAOYSA-N 0 0 414.405 4.182 20 5 HIBDRN Cc1cc(N2CCSCC2)ccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000532030697 931290433 /nfs/dbraw/zinc/29/04/33/931290433.db2.gz SIEFOXFJJHBJRK-UHFFFAOYSA-N 0 0 412.515 4.047 20 5 HIBDRN CC(C)(C(=O)N1CCc2cccc(Br)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000532051499 931297397 /nfs/dbraw/zinc/29/73/97/931297397.db2.gz ZZGWXYPRKDKGOO-UHFFFAOYSA-N 0 0 403.276 4.220 20 5 HIBDRN CC(C)(C)Oc1cccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000532089447 931307641 /nfs/dbraw/zinc/30/76/41/931307641.db2.gz SJVLFOIINSVYES-UHFFFAOYSA-N 0 0 409.389 4.340 20 5 HIBDRN O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532398193 931422552 /nfs/dbraw/zinc/42/25/52/931422552.db2.gz WSWOUDIFVZMRKR-UHFFFAOYSA-N 0 0 403.320 4.400 20 5 HIBDRN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532398997 931422606 /nfs/dbraw/zinc/42/26/06/931422606.db2.gz CLQSQJNAWJBGAF-STQMWFEESA-N 0 0 416.865 4.299 20 5 HIBDRN O=C(NCc1cnn(CC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000532436173 931432967 /nfs/dbraw/zinc/43/29/67/931432967.db2.gz MTWLPYHBQFIEMA-UHFFFAOYSA-N 0 0 420.347 4.076 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000532480370 931455316 /nfs/dbraw/zinc/45/53/16/931455316.db2.gz QTNKAKJNYWLIAW-MRXNPFEDSA-N 0 0 424.404 4.492 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000532519625 931472488 /nfs/dbraw/zinc/47/24/88/931472488.db2.gz LNOSJYKENIBQHR-GOSISDBHSA-N 0 0 424.284 4.222 20 5 HIBDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(C)c1 ZINC000532754753 931623369 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JGLQZUDGZOOCSB-IIBYNOLFSA-N 0 0 418.453 4.335 20 5 HIBDRN COc1ccc(NC(=O)CNC2(c3c(Cl)cccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000539332362 938843159 /nfs/dbraw/zinc/84/31/59/938843159.db2.gz SXYXQCMINRHDPW-UHFFFAOYSA-N 0 0 410.257 4.128 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1NS(C)(=O)=O ZINC000539337465 938844361 /nfs/dbraw/zinc/84/43/61/938844361.db2.gz SOPDGBVKXQGQHD-UHFFFAOYSA-N 0 0 423.516 4.028 20 5 HIBDRN COc1ccccc1O[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000539355580 938847327 /nfs/dbraw/zinc/84/73/27/938847327.db2.gz HCYSBOBXQMWWFB-AWEZNQCLSA-N 0 0 404.488 4.301 20 5 HIBDRN CCc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)sc1C(=O)OC ZINC000539356756 938847591 /nfs/dbraw/zinc/84/75/91/938847591.db2.gz LDDRIYLYMXJDCG-UHFFFAOYSA-N 0 0 409.489 4.153 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000539370311 938850346 /nfs/dbraw/zinc/85/03/46/938850346.db2.gz GVCARLFEBLUESB-QWHCGFSZSA-N 0 0 419.275 4.444 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000539412165 938856975 /nfs/dbraw/zinc/85/69/75/938856975.db2.gz JCGLZWNIYKKSHL-UHFFFAOYSA-N 0 0 400.822 4.144 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC000539431486 938859556 /nfs/dbraw/zinc/85/95/56/938859556.db2.gz KSKLTWAGJFIFID-LJQANCHMSA-N 0 0 417.465 4.336 20 5 HIBDRN COc1cc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(OC)c1Br ZINC000539444494 938861465 /nfs/dbraw/zinc/86/14/65/938861465.db2.gz NWHIILNDOMGBNL-UHFFFAOYSA-N 0 0 410.224 4.327 20 5 HIBDRN O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000539445607 938861694 /nfs/dbraw/zinc/86/16/94/938861694.db2.gz WUXBHGVMNKGLSM-HOTGVXAUSA-N 0 0 416.302 4.152 20 5 HIBDRN O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000539482730 938866843 /nfs/dbraw/zinc/86/68/43/938866843.db2.gz HSFOLWYKTZBXTR-INIZCTEOSA-N 0 0 412.833 4.078 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])cc2Cl)n[nH]1 ZINC000539525342 938873291 /nfs/dbraw/zinc/87/32/91/938873291.db2.gz LIWLSHHGFJMLQH-UHFFFAOYSA-N 0 0 415.837 4.058 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000539527489 938873458 /nfs/dbraw/zinc/87/34/58/938873458.db2.gz NHNYWQFMNCJINI-WMZHIEFXSA-N 0 0 412.486 4.265 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1 ZINC000539528565 938873868 /nfs/dbraw/zinc/87/38/68/938873868.db2.gz WTUIHFCXVLTTEU-MRXNPFEDSA-N 0 0 417.437 4.041 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1 ZINC000539528556 938873999 /nfs/dbraw/zinc/87/39/99/938873999.db2.gz WTUIHFCXVLTTEU-INIZCTEOSA-N 0 0 417.437 4.041 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2ccc(Br)s2)c1 ZINC000539553656 938879207 /nfs/dbraw/zinc/87/92/07/938879207.db2.gz VGTGNMBRWSZLIC-LLVKDONJSA-N 0 0 413.293 4.374 20 5 HIBDRN CCOc1cc(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c([N+](=O)[O-])cc1OCC ZINC000539601128 938886388 /nfs/dbraw/zinc/88/63/88/938886388.db2.gz GCGSZLLNIJLWDE-CYBMUJFWSA-N 0 0 402.451 4.120 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 ZINC000539630103 938890394 /nfs/dbraw/zinc/89/03/94/938890394.db2.gz LYARGVZDVXUSGD-UHFFFAOYSA-N 0 0 422.528 4.167 20 5 HIBDRN Cc1cc(NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000539650182 938893961 /nfs/dbraw/zinc/89/39/61/938893961.db2.gz GKLPZGAMOBGTDJ-UHFFFAOYSA-N 0 0 410.451 4.129 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCOc2cccc(F)c21 ZINC000539663556 938896551 /nfs/dbraw/zinc/89/65/51/938896551.db2.gz QJRJBWIJTTYJBW-UHFFFAOYSA-N 0 0 407.401 4.385 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC(=O)OC)CC1 ZINC000539669977 938898037 /nfs/dbraw/zinc/89/80/37/938898037.db2.gz BJLWVDONGSKXJI-UHFFFAOYSA-N 0 0 408.520 4.292 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCc3c(F)cc(Br)cc32)cc1[N+](=O)[O-] ZINC000539681976 938900129 /nfs/dbraw/zinc/90/01/29/938900129.db2.gz WXMUDAFEZQEKQO-UHFFFAOYSA-N 0 0 423.238 4.488 20 5 HIBDRN COc1cc(CNc2nnc(C(C)C)s2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539709191 938908241 /nfs/dbraw/zinc/90/82/41/938908241.db2.gz YWVQWZJWRKNLTH-UHFFFAOYSA-N 0 0 406.386 4.132 20 5 HIBDRN O=C(Nc1ccc2nncn2c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000539713637 938909382 /nfs/dbraw/zinc/90/93/82/938909382.db2.gz LANZTGVYMLSEEI-UHFFFAOYSA-N 0 0 422.832 4.155 20 5 HIBDRN Cc1sc(NC(=O)c2cc(OCC(F)F)ccn2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000539778715 938933763 /nfs/dbraw/zinc/93/37/63/938933763.db2.gz IQNKMWVECIMKJL-UHFFFAOYSA-N 0 0 420.397 4.318 20 5 HIBDRN CNc1ccc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000539812850 938940652 /nfs/dbraw/zinc/94/06/52/938940652.db2.gz VPEZOYDLUXCDPO-AWEZNQCLSA-N 0 0 419.306 4.271 20 5 HIBDRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)n2)c1 ZINC000539874479 938963091 /nfs/dbraw/zinc/96/30/91/938963091.db2.gz QVEBKGMADHTJFB-CQSZACIVSA-N 0 0 410.430 4.070 20 5 HIBDRN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@@H]2C1 ZINC000539901126 938973841 /nfs/dbraw/zinc/97/38/41/938973841.db2.gz OYUGAMXFVQJTPJ-DJKXOVBDSA-N 0 0 406.866 4.277 20 5 HIBDRN COc1cc(CN(C)Cc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000539929269 938978602 /nfs/dbraw/zinc/97/86/02/938978602.db2.gz SPOKZLMJCJNTFG-UHFFFAOYSA-N 0 0 400.353 4.143 20 5 HIBDRN C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000539939712 938979628 /nfs/dbraw/zinc/97/96/28/938979628.db2.gz BPWBOGSRMJBEQP-FZMZJTMJSA-N 0 0 408.813 4.221 20 5 HIBDRN CCn1c2cc(Br)ccc2nc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000540007379 939037721 /nfs/dbraw/zinc/03/77/21/939037721.db2.gz GUZSNVIYERJLTB-UHFFFAOYSA-N 0 0 403.236 4.288 20 5 HIBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540039025 939046153 /nfs/dbraw/zinc/04/61/53/939046153.db2.gz WEJKUONCTWGIJR-CYBMUJFWSA-N 0 0 404.348 4.215 20 5 HIBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cn1 ZINC000563592213 945223768 /nfs/dbraw/zinc/22/37/68/945223768.db2.gz BUONUSQGZHXWRV-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN Cc1n[nH]c(C(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1[N+](=O)[O-] ZINC000540196429 939121301 /nfs/dbraw/zinc/12/13/01/939121301.db2.gz NXVPDEQDOUFJCS-LBPRGKRZSA-N 0 0 402.760 4.180 20 5 HIBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000540239221 939158881 /nfs/dbraw/zinc/15/88/81/939158881.db2.gz FGMIQLZPKXLDNX-YVEFUNNKSA-N 0 0 407.264 4.172 20 5 HIBDRN CCN1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540254644 939172326 /nfs/dbraw/zinc/17/23/26/939172326.db2.gz OARIWMWAHFDGOJ-OALUTQOASA-N 0 0 420.872 4.022 20 5 HIBDRN CCCN1C(=O)CCc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000540254356 939172532 /nfs/dbraw/zinc/17/25/32/939172532.db2.gz YHKMCQOECVKBPO-UHFFFAOYSA-N 0 0 401.850 4.119 20 5 HIBDRN Cc1cc2cc(C(=O)NCCCNc3ncnc4ccc([N+](=O)[O-])cc43)oc2cc1C ZINC000540321155 939193764 /nfs/dbraw/zinc/19/37/64/939193764.db2.gz WLRFKPITSHVRKY-UHFFFAOYSA-N 0 0 419.441 4.133 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCSc3ccccc32)c(C(F)(F)F)c1 ZINC000540335926 939198973 /nfs/dbraw/zinc/19/89/73/939198973.db2.gz SYSSSBVVXDPXOI-UHFFFAOYSA-N 0 0 418.418 4.305 20 5 HIBDRN C[C@@H](NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000540376677 939217373 /nfs/dbraw/zinc/21/73/73/939217373.db2.gz QPAOJQKUZZZAKU-KDOFPFPSSA-N 0 0 424.482 4.278 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(F)c(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000540452763 939256001 /nfs/dbraw/zinc/25/60/01/939256001.db2.gz BHFXUYYTRDBUFN-UHFFFAOYSA-N 0 0 401.163 4.287 20 5 HIBDRN O=C(N[C@H]1COc2ccccc2C1=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000540509761 939281749 /nfs/dbraw/zinc/28/17/49/939281749.db2.gz UQVMVJYOMCNPCF-IBGZPJMESA-N 0 0 420.446 4.120 20 5 HIBDRN O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000540536674 939295323 /nfs/dbraw/zinc/29/53/23/939295323.db2.gz CEWCDLUUNVPANH-KRWDZBQOSA-N 0 0 412.833 4.078 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCO[C@H](CCc2ccccc2)C1 ZINC000540566958 939306814 /nfs/dbraw/zinc/30/68/14/939306814.db2.gz JPCPRYSMOFSSSJ-HXUWFJFHSA-N 0 0 417.465 4.131 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)Cc2csc(Br)c2)c1 ZINC000540614942 939320853 /nfs/dbraw/zinc/32/08/53/939320853.db2.gz LXERMLROBQXNKQ-UHFFFAOYSA-N 0 0 413.293 4.155 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)c1 ZINC000540626926 939323482 /nfs/dbraw/zinc/32/34/82/939323482.db2.gz SHZDTPJXEYENFS-UHFFFAOYSA-N 0 0 414.458 4.195 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000540735768 939353406 /nfs/dbraw/zinc/35/34/06/939353406.db2.gz DQJVQPLGEVBSBQ-UHFFFAOYSA-N 0 0 401.488 4.489 20 5 HIBDRN Cc1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)nn1-c1cc(C)cc(C)c1 ZINC000540744747 939356042 /nfs/dbraw/zinc/35/60/42/939356042.db2.gz REZDUVGGGGPFGD-UHFFFAOYSA-N 0 0 416.441 4.144 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)cc([N+](=O)[O-])c1OC ZINC000540747542 939357369 /nfs/dbraw/zinc/35/73/69/939357369.db2.gz MKFUMWXDQHXFTI-UHFFFAOYSA-N 0 0 416.821 4.012 20 5 HIBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1 ZINC000540796085 939375392 /nfs/dbraw/zinc/37/53/92/939375392.db2.gz BMGAOBXODMUHCC-UHFFFAOYSA-N 0 0 419.466 4.295 20 5 HIBDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000540826790 939386372 /nfs/dbraw/zinc/38/63/72/939386372.db2.gz PBAQWWUIXNBPFL-GDBMZVCRSA-N 0 0 405.520 4.294 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000540892676 939412537 /nfs/dbraw/zinc/41/25/37/939412537.db2.gz AZGVKMXWXKOAAE-JKSUJKDBSA-N 0 0 423.694 4.473 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000540907455 939415063 /nfs/dbraw/zinc/41/50/63/939415063.db2.gz RVHCHQLRVGXQGI-UHFFFAOYSA-N 0 0 420.412 4.387 20 5 HIBDRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000540908894 939415176 /nfs/dbraw/zinc/41/51/76/939415176.db2.gz ZMPWWZAYPFBRJE-SFHVURJKSA-N 0 0 407.392 4.226 20 5 HIBDRN COCC(=O)Nc1cccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000540915063 939416746 /nfs/dbraw/zinc/41/67/46/939416746.db2.gz APBCSSKKXDJLPX-QHCPKHFHSA-N 0 0 405.454 4.059 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000541006318 939429991 /nfs/dbraw/zinc/42/99/91/939429991.db2.gz KSGZGTVDNBPHAN-QAPCUYQASA-N 0 0 406.385 4.155 20 5 HIBDRN Cc1cccc([C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c2ccccn2)c1 ZINC000541031850 939436472 /nfs/dbraw/zinc/43/64/72/939436472.db2.gz GLPJBBYYTIHRRN-IBGZPJMESA-N 0 0 413.380 4.419 20 5 HIBDRN COC(=O)c1ccc(-c2nc(CSCCOc3ccc([N+](=O)[O-])cc3)co2)cc1 ZINC000541073570 939451052 /nfs/dbraw/zinc/45/10/52/939451052.db2.gz BWOZOWZOUMSACR-UHFFFAOYSA-N 0 0 414.439 4.349 20 5 HIBDRN COc1ccc(NC(=O)NCc2cccc(OC)c2OC2CCCC2)cc1[N+](=O)[O-] ZINC000541106544 939462502 /nfs/dbraw/zinc/46/25/02/939462502.db2.gz MVXUJLZGOFESMB-UHFFFAOYSA-N 0 0 415.446 4.255 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)N[C@H](C)c2ccc(SC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000541127464 939470610 /nfs/dbraw/zinc/47/06/10/939470610.db2.gz VWOLHASUJUWANS-OAHLLOKOSA-N 0 0 415.515 4.011 20 5 HIBDRN O=C(Nc1ccccc1NCC1CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000541134023 939473005 /nfs/dbraw/zinc/47/30/05/939473005.db2.gz YIYHCSDWKYZFKP-UHFFFAOYSA-N 0 0 420.473 4.420 20 5 HIBDRN COc1ccc(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000541139727 939474272 /nfs/dbraw/zinc/47/42/72/939474272.db2.gz DYEKFTCPDQRCCV-UHFFFAOYSA-N 0 0 418.759 4.111 20 5 HIBDRN Cc1ccc(C2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CC2)cn1 ZINC000541182902 939484731 /nfs/dbraw/zinc/48/47/31/939484731.db2.gz RAWFKWZUFKMMAI-UHFFFAOYSA-N 0 0 402.882 4.083 20 5 HIBDRN Cc1cccc(Nc2nnc(SC[C@@H](O)COc3ccccc3[N+](=O)[O-])s2)c1 ZINC000541259857 939488171 /nfs/dbraw/zinc/48/81/71/939488171.db2.gz BXKKDGSVJOSZNU-AWEZNQCLSA-N 0 0 418.500 4.030 20 5 HIBDRN O=C(Nc1csc(-c2ccccn2)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000541271865 939488720 /nfs/dbraw/zinc/48/87/20/939488720.db2.gz FJGGEAFMAQIYFC-UHFFFAOYSA-N 0 0 409.452 4.489 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc(Br)c3cccnc23)c1 ZINC000541296581 939489879 /nfs/dbraw/zinc/48/98/79/939489879.db2.gz JBAMZJVMLKOXGH-UHFFFAOYSA-N 0 0 417.215 4.271 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541297853 939489937 /nfs/dbraw/zinc/48/99/37/939489937.db2.gz NTAHXFLAMPCHPA-UHFFFAOYSA-N 0 0 422.312 4.225 20 5 HIBDRN Cc1c([C@@H](C)NC(=O)CSc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000541306557 939490355 /nfs/dbraw/zinc/49/03/55/939490355.db2.gz BBDQKANNTJBVRP-CYBMUJFWSA-N 0 0 414.462 4.198 20 5 HIBDRN CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ncccc1Br ZINC000541316387 939490660 /nfs/dbraw/zinc/49/06/60/939490660.db2.gz KTAICYUAIPBZDG-UHFFFAOYSA-N 0 0 404.142 4.048 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc(Br)s1 ZINC000541369001 939498477 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410.470 4.178 20 5 HIBDRN C[C@H](C(=O)NCc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541576730 939559071 /nfs/dbraw/zinc/55/90/71/939559071.db2.gz QOHVACVESFRIKH-NSHDSACASA-N 0 0 400.328 4.095 20 5 HIBDRN Cc1c(Br)c(N2CCC[C@H]2c2cccc(N(C)C)c2)ncc1[N+](=O)[O-] ZINC000541576286 939559189 /nfs/dbraw/zinc/55/91/89/939559189.db2.gz GDPDMYZFMRAOIL-HNNXBMFYSA-N 0 0 405.296 4.468 20 5 HIBDRN O=C(c1ccnc(O[C@@H]2CCOC2)c1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000541581941 939559829 /nfs/dbraw/zinc/55/98/29/939559829.db2.gz GCFDLYSSOAPNCW-OAQYLSRUSA-N 0 0 419.437 4.005 20 5 HIBDRN CC[C@](C)(COc1ncccc1Cl)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541595803 939562961 /nfs/dbraw/zinc/56/29/61/939562961.db2.gz WZVNKBLHJPBQHU-HXPMCKFVSA-N 0 0 409.845 4.250 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541604279 939566757 /nfs/dbraw/zinc/56/67/57/939566757.db2.gz XFOGESKLLLVVFT-ZDUSSCGKSA-N 0 0 408.389 4.123 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541608832 939568985 /nfs/dbraw/zinc/56/89/85/939568985.db2.gz XELVGPSFCWAPLJ-HNNXBMFYSA-N 0 0 413.449 4.492 20 5 HIBDRN C[C@H](C(=O)N(C)CCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541623349 939573269 /nfs/dbraw/zinc/57/32/69/939573269.db2.gz MVCOITYVGXTICJ-LBPRGKRZSA-N 0 0 409.255 4.301 20 5 HIBDRN Cc1noc(C)c1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541623830 939573919 /nfs/dbraw/zinc/57/39/19/939573919.db2.gz ZFNFEZSVNPGKEK-UHFFFAOYSA-N 0 0 403.504 4.454 20 5 HIBDRN CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541637133 939579421 /nfs/dbraw/zinc/57/94/21/939579421.db2.gz NOUJLVSCACLNDV-IEBWSBKVSA-N 0 0 404.463 4.205 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](C)c2nccs2)cc1 ZINC000541651712 939587713 /nfs/dbraw/zinc/58/77/13/939587713.db2.gz ZXEMXUMTROJFOG-ZDUSSCGKSA-N 0 0 413.455 4.386 20 5 HIBDRN C[C@H](C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1F 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CS(=O)(=O)c1cccc(N2CCC(F)(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000542138735 939727784 /nfs/dbraw/zinc/72/77/84/939727784.db2.gz OOEDFZKWFKDFSX-UHFFFAOYSA-N 0 0 412.870 4.117 20 5 HIBDRN CN(C(=O)c1cncnc1-c1ccccc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000542179304 939746888 /nfs/dbraw/zinc/74/68/88/939746888.db2.gz PWQJAEKTBCWDAV-UHFFFAOYSA-N 0 0 417.450 4.452 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(NC(=O)C2CC2)c1 ZINC000542192676 939751463 /nfs/dbraw/zinc/75/14/63/939751463.db2.gz JBPMKLHDXSFCFJ-UHFFFAOYSA-N 0 0 405.863 4.328 20 5 HIBDRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000542194882 939752476 /nfs/dbraw/zinc/75/24/76/939752476.db2.gz GBRGGFNNHQGTRQ-UHFFFAOYSA-N 0 0 402.472 4.210 20 5 HIBDRN CC(C)N1CCc2nc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])sc2C1 ZINC000542199442 939753658 /nfs/dbraw/zinc/75/36/58/939753658.db2.gz FDRIBKCZNLDDMD-UHFFFAOYSA-N 0 0 414.409 4.089 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](n2ncc3ccccc32)C1 ZINC000542202545 939755042 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AXGOVDZJBYNVIZ-SFHVURJKSA-N 0 0 409.442 4.037 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000545274395 940559747 /nfs/dbraw/zinc/55/97/47/940559747.db2.gz BFZXELDQBQBMRF-CYBMUJFWSA-N 0 0 421.295 4.070 20 5 HIBDRN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c2ncccc12 ZINC000545314392 940561371 /nfs/dbraw/zinc/56/13/71/940561371.db2.gz OBPCXSXJEXLTLN-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN CC(C)OC[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCO1 ZINC000545322593 940561903 /nfs/dbraw/zinc/56/19/03/940561903.db2.gz CJSWXHAANKQZOV-IBGZPJMESA-N 0 0 404.438 4.152 20 5 HIBDRN Cc1nnc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)s1 ZINC000545353735 940564320 /nfs/dbraw/zinc/56/43/20/940564320.db2.gz WMCWCBQUJPEFJY-LLVKDONJSA-N 0 0 400.485 4.397 20 5 HIBDRN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1OC(C)C ZINC000545453849 940570598 /nfs/dbraw/zinc/57/05/98/940570598.db2.gz FCRFSEXEPNNYNG-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC(C)C ZINC000545453289 940570641 /nfs/dbraw/zinc/57/06/41/940570641.db2.gz RKQWCYGHEMAFHF-GFCCVEGCSA-N 0 0 408.838 4.450 20 5 HIBDRN CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000545469728 940571230 /nfs/dbraw/zinc/57/12/30/940571230.db2.gz QRGGYXAXFXWHAK-NRFANRHFSA-N 0 0 411.483 4.098 20 5 HIBDRN COc1ccc(Cl)cc1Cc1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000545532565 940573576 /nfs/dbraw/zinc/57/35/76/940573576.db2.gz IFSPAOKHUPKEOE-UHFFFAOYSA-N 0 0 411.805 4.083 20 5 HIBDRN CCOc1c(Cl)cc(-c2noc(-c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1OC ZINC000545534309 940573625 /nfs/dbraw/zinc/57/36/25/940573625.db2.gz OJEGNKVIZSZAAL-UHFFFAOYSA-N 0 0 405.794 4.381 20 5 HIBDRN CC(=O)c1cccc(OCc2cc(-c3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)no2)c1 ZINC000545569674 940575173 /nfs/dbraw/zinc/57/51/73/940575173.db2.gz OBAXPUBJSOOADC-UHFFFAOYSA-N 0 0 420.381 4.390 20 5 HIBDRN Cc1ccc(-c2noc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)n2)cc1[N+](=O)[O-] ZINC000545570093 940575196 /nfs/dbraw/zinc/57/51/96/940575196.db2.gz LNBGZIAKVNNRSI-HNNXBMFYSA-N 0 0 416.846 4.262 20 5 HIBDRN COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3C)n2)ccc1OC[C@H]1CCCO1 ZINC000545571790 940575318 /nfs/dbraw/zinc/57/53/18/940575318.db2.gz UONSOGYOANRIAL-MRXNPFEDSA-N 0 0 411.414 4.187 20 5 HIBDRN COc1cc(-c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)ccc1OC[C@@H]1CCCO1 ZINC000545576645 940575559 /nfs/dbraw/zinc/57/55/59/940575559.db2.gz YOVZIFGLMRMRBC-QKIXSCASSA-N 0 0 423.425 4.382 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3Cn3cccn3)no2)ccc1NC1CC1 ZINC000545587073 940576003 /nfs/dbraw/zinc/57/60/03/940576003.db2.gz RLDIEUFOIYBQRS-UHFFFAOYSA-N 0 0 402.414 4.131 20 5 HIBDRN CC(C)C(=O)Nc1cccc(-c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000545593237 940576324 /nfs/dbraw/zinc/57/63/24/940576324.db2.gz PIQLSEXNLBWRSM-UHFFFAOYSA-N 0 0 409.446 4.284 20 5 HIBDRN COCC(=O)Nc1ccc(-c2noc([C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000545594281 940576434 /nfs/dbraw/zinc/57/64/34/940576434.db2.gz VDOJGELADPDACH-GFCCVEGCSA-N 0 0 414.443 4.083 20 5 HIBDRN O=[N+]([O-])c1ccc2c(ccn2Cc2nc(Cc3coc(-c4cccs4)n3)no2)c1 ZINC000545596343 940576528 /nfs/dbraw/zinc/57/65/28/940576528.db2.gz LQGKDFKRIOTIFK-UHFFFAOYSA-N 0 0 407.411 4.288 20 5 HIBDRN CC(=O)Nc1ccc(-c2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000545626230 940577896 /nfs/dbraw/zinc/57/78/96/940577896.db2.gz MPPKHGUAYKQOHS-SNVBAGLBSA-N 0 0 402.794 4.397 20 5 HIBDRN CCOc1ccc(Br)cc1-c1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000545636186 940578292 /nfs/dbraw/zinc/57/82/92/940578292.db2.gz FTAZMZHYAUBULO-UHFFFAOYSA-N 0 0 420.219 4.385 20 5 HIBDRN CCCOc1ccc(Br)cc1-c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000545640121 940578501 /nfs/dbraw/zinc/57/85/01/940578501.db2.gz ICSSVRJYJOCXAG-UHFFFAOYSA-N 0 0 407.224 4.202 20 5 HIBDRN CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(-n3c(C)c[nH]c3=O)c2)no1 ZINC000545655547 940579076 /nfs/dbraw/zinc/57/90/76/940579076.db2.gz XIJAZQSUPDJJPI-RAXLEYEMSA-N 0 0 403.398 4.405 20 5 HIBDRN COc1ccc(Cc2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)c(Cl)c1OC ZINC000545659060 940579323 /nfs/dbraw/zinc/57/93/23/940579323.db2.gz WNYDBGMYHKWTRH-UHFFFAOYSA-N 0 0 414.805 4.388 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(/C=C/c2ccc(Br)o2)n1 ZINC000545673838 940580030 /nfs/dbraw/zinc/58/00/30/940580030.db2.gz HZWBDLJXIHLFLK-SOFGYWHQSA-N 0 0 405.208 4.158 20 5 HIBDRN COc1ccc(-c2nc(-c3ccc(OCc4ccccc4)nc3)no2)cc1[N+](=O)[O-] ZINC000545673246 940580040 /nfs/dbraw/zinc/58/00/40/940580040.db2.gz NMSINFGRLWUDFL-UHFFFAOYSA-N 0 0 404.382 4.294 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3nc([C@@H]4OCCc5ccccc54)no3)cs2)cc1 ZINC000545709524 940581794 /nfs/dbraw/zinc/58/17/94/940581794.db2.gz SLNXXAYDSICQCU-QGZVFWFLSA-N 0 0 406.423 4.430 20 5 HIBDRN O=C1C[C@H](c2noc(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)n2)CN1C1CC1 ZINC000545718058 940582155 /nfs/dbraw/zinc/58/21/55/940582155.db2.gz JOPUEBCOLWHMRQ-AWEZNQCLSA-N 0 0 422.466 4.274 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 ZINC000545722191 940582327 /nfs/dbraw/zinc/58/23/27/940582327.db2.gz ZWRDUNINTGMASD-KBPBESRZSA-N 0 0 410.455 4.352 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(COc3ccc(F)cc3)n2)c(Br)c1 ZINC000545739607 940583189 /nfs/dbraw/zinc/58/31/89/940583189.db2.gz ZSOPAINBOCVPCO-UHFFFAOYSA-N 0 0 408.183 4.049 20 5 HIBDRN CCOc1cn(-c2ccccc2)nc1-c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000545779147 940587620 /nfs/dbraw/zinc/58/76/20/940587620.db2.gz GALIRHRSBQHIFE-UHFFFAOYSA-N 0 0 405.414 4.128 20 5 HIBDRN Cc1ccc(C2(c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)CCOCC2)cc1 ZINC000545780764 940588114 /nfs/dbraw/zinc/58/81/14/940588114.db2.gz MZDGNTPGWKTRNX-UHFFFAOYSA-N 0 0 418.453 4.455 20 5 HIBDRN Cc1cc(C)n(Cc2cccc(-c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)c2)n1 ZINC000545781195 940589472 /nfs/dbraw/zinc/58/94/72/940589472.db2.gz OCYYFJUVXHSWJP-UHFFFAOYSA-N 0 0 403.442 4.406 20 5 HIBDRN C[C@@H](Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)C(=O)c1cccc(F)c1 ZINC000545782729 940590090 /nfs/dbraw/zinc/59/00/90/940590090.db2.gz KHMQOQAWKFYURQ-LBPRGKRZSA-N 0 0 408.389 4.251 20 5 HIBDRN COc1cc(C2(c3nc(Cc4ccc([N+](=O)[O-])c(OC)c4)no3)CCC2)ccc1C ZINC000545785945 940593025 /nfs/dbraw/zinc/59/30/25/940593025.db2.gz JKFACNYGQXJFKH-UHFFFAOYSA-N 0 0 409.442 4.364 20 5 HIBDRN CC(C)(C)c1nc(Cc2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)cs1 ZINC000545804994 940604171 /nfs/dbraw/zinc/60/41/71/940604171.db2.gz DYCCXSRXKKPLQB-UHFFFAOYSA-N 0 0 401.492 4.367 20 5 HIBDRN Cc1cc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)c(C)c(C)c1C ZINC000545814624 940609144 /nfs/dbraw/zinc/60/91/44/940609144.db2.gz LRIFPELKZCFWPB-UHFFFAOYSA-N 0 0 411.483 4.050 20 5 HIBDRN CC(C)c1ccc(C(=O)[C@H](C)Sc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)cc1 ZINC000545816688 940610833 /nfs/dbraw/zinc/61/08/33/940610833.db2.gz JDOFVTJACXYHCK-ZDUSSCGKSA-N 0 0 411.483 4.329 20 5 HIBDRN Cc1cc(Cc2noc([C@@]3(C)CCCN(C(=O)c4ccccc4)C3)n2)ccc1[N+](=O)[O-] ZINC000545852739 940636059 /nfs/dbraw/zinc/63/60/59/940636059.db2.gz KIMBIDRBGVOHPG-QHCPKHFHSA-N 0 0 420.469 4.071 20 5 HIBDRN Cc1ncc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000545960993 940665788 /nfs/dbraw/zinc/66/57/88/940665788.db2.gz MHUWHALUKMAHKG-KBPBESRZSA-N 0 0 409.490 4.305 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000545959241 940665896 /nfs/dbraw/zinc/66/58/96/940665896.db2.gz SERPLEGNKMUTFE-UHFFFAOYSA-N 0 0 414.393 4.062 20 5 HIBDRN COc1ccc(CNc2nnc(C(F)F)s2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000546060649 940686418 /nfs/dbraw/zinc/68/64/18/940686418.db2.gz FORAVUVLFDYRPN-UHFFFAOYSA-N 0 0 422.413 4.584 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC000546063501 940687041 /nfs/dbraw/zinc/68/70/41/940687041.db2.gz JOIHCTYFJHQJRG-UHFFFAOYSA-N 0 0 418.421 4.410 20 5 HIBDRN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546063271 940687367 /nfs/dbraw/zinc/68/73/67/940687367.db2.gz BKNUUNOYEDNJPW-LBPRGKRZSA-N 0 0 402.394 4.136 20 5 HIBDRN CN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ncc2c(n1)-c1ccccc1SC2 ZINC000563999691 945342203 /nfs/dbraw/zinc/34/22/03/945342203.db2.gz XPKSAGIZLGZXNN-UHFFFAOYSA-N 0 0 424.507 4.413 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCc2c1cccc2C(F)(F)F ZINC000546151544 940715072 /nfs/dbraw/zinc/71/50/72/940715072.db2.gz IPMFEWGFCQEUBK-UHFFFAOYSA-N 0 0 402.332 4.002 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000546160123 940717338 /nfs/dbraw/zinc/71/73/38/940717338.db2.gz HDVWGFJOZVVOCT-UHFFFAOYSA-N 0 0 423.469 4.184 20 5 HIBDRN COc1cc(-c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)ccc1OC(C)C ZINC000546242106 940743219 /nfs/dbraw/zinc/74/32/19/940743219.db2.gz JLLDZDXGMWTPTB-UHFFFAOYSA-N 0 0 422.397 4.361 20 5 HIBDRN CC(=O)Nc1ccccc1-c1noc(-c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000546252684 940749050 /nfs/dbraw/zinc/74/90/50/940749050.db2.gz WQXQFYBQFRDBJE-UHFFFAOYSA-N 0 0 417.219 4.341 20 5 HIBDRN Nc1ccc(-c2noc([C@H]3C[C@H]3c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] ZINC000546257281 940750705 /nfs/dbraw/zinc/75/07/05/940750705.db2.gz MTOPUHLPGKFZPG-STQMWFEESA-N 0 0 401.220 4.261 20 5 HIBDRN Nc1ccc(-c2noc([C@@H]3C[C@@H]3c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] ZINC000546257278 940750779 /nfs/dbraw/zinc/75/07/79/940750779.db2.gz MTOPUHLPGKFZPG-CHWSQXEVSA-N 0 0 401.220 4.261 20 5 HIBDRN Cc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)c1 ZINC000546260020 940751920 /nfs/dbraw/zinc/75/19/20/940751920.db2.gz WWGCZRTWUKXVAW-MRXNPFEDSA-N 0 0 407.430 4.365 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CN(Cc3ccccc3)[C@H](CO)C3CC3)cs2)c1 ZINC000546268272 940753384 /nfs/dbraw/zinc/75/33/84/940753384.db2.gz RSBUOPYKYGIALK-OAQYLSRUSA-N 0 0 409.511 4.491 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)ccc1OC(F)F ZINC000546276582 940758140 /nfs/dbraw/zinc/75/81/40/940758140.db2.gz UBJISBZFVYNMMC-UHFFFAOYSA-N 0 0 413.340 4.158 20 5 HIBDRN O=[N+]([O-])c1cccc(OCc2nc(Cc3ccc(OCc4ccccn4)cc3)no2)c1 ZINC000546277443 940758904 /nfs/dbraw/zinc/75/89/04/940758904.db2.gz NLUUPWHCBYSMIG-UHFFFAOYSA-N 0 0 418.409 4.122 20 5 HIBDRN Cc1c(Cc2nc(Cc3nc(=O)c4c(C5CC5)csc4[nH]3)no2)cccc1[N+](=O)[O-] ZINC000546281398 940761051 /nfs/dbraw/zinc/76/10/51/940761051.db2.gz XDQHDJHEXWWLQZ-UHFFFAOYSA-N 0 0 423.454 4.056 20 5 HIBDRN CCc1ccc(-c2nc(Cc3nc(=O)c4c(C5CC5)csc4[nH]3)no2)cc1[N+](=O)[O-] ZINC000546283277 940762342 /nfs/dbraw/zinc/76/23/42/940762342.db2.gz VCQCWWUUSCSZBO-UHFFFAOYSA-N 0 0 423.454 4.386 20 5 HIBDRN C[C@H]1CCCN(c2ccc(-c3nc(-c4ccc(NC(N)=O)cc4)no3)cc2[N+](=O)[O-])C1 ZINC000546310256 940777170 /nfs/dbraw/zinc/77/71/70/940777170.db2.gz VDGDEHHTKXHVFX-ZDUSSCGKSA-N 0 0 422.445 4.039 20 5 HIBDRN CC(=O)N(c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000564009792 945347907 /nfs/dbraw/zinc/34/79/07/945347907.db2.gz JCUINPKMOBQMJW-UHFFFAOYSA-N 0 0 417.849 4.171 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(Cc3ccc(OCc4ccncc4)cc3)no2)cc1 ZINC000546329543 940787464 /nfs/dbraw/zinc/78/74/64/940787464.db2.gz PMLXXFAUDZSIMF-UHFFFAOYSA-N 0 0 418.409 4.122 20 5 HIBDRN Cc1c[nH]c(=O)n1-c1cccc(-c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000546356385 940800441 /nfs/dbraw/zinc/80/04/41/940800441.db2.gz JPHFZHAYQGGXFH-UHFFFAOYSA-N 0 0 409.427 4.137 20 5 HIBDRN COc1ccc(Cc2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1OC ZINC000546360918 940801474 /nfs/dbraw/zinc/80/14/74/940801474.db2.gz JLPHCJXWIADCEA-BJMVGYQFSA-N 0 0 401.806 4.410 20 5 HIBDRN COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])cc3)n2)c(Br)c1OC ZINC000546363188 940802235 /nfs/dbraw/zinc/80/22/35/940802235.db2.gz QRGQVJISLFAMEI-UHFFFAOYSA-N 0 0 420.219 4.015 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2n[nH]c3ccc(Br)cc32)n1 ZINC000546399031 940810776 /nfs/dbraw/zinc/81/07/76/940810776.db2.gz AVUGSSFPNPOVFI-UHFFFAOYSA-N 0 0 400.192 4.259 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2ccccc2I)n1 ZINC000546403277 940812015 /nfs/dbraw/zinc/81/20/15/940812015.db2.gz ZXMRXPGYROLZBZ-UHFFFAOYSA-N 0 0 421.194 4.149 20 5 HIBDRN O=c1[nH]c2ccc(-c3noc(-c4csc(-c5cccc([N+](=O)[O-])c5)n4)n3)cc2[nH]1 ZINC000546420325 940815982 /nfs/dbraw/zinc/81/59/82/940815982.db2.gz JPSVSBBWCUVZSL-UHFFFAOYSA-N 0 0 406.383 4.017 20 5 HIBDRN O=C1C[C@@H](c2noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n2)CN1c1ccccc1 ZINC000546425006 940817042 /nfs/dbraw/zinc/81/70/42/940817042.db2.gz QCZXNWWRYQMLQF-CYBMUJFWSA-N 0 0 406.423 4.380 20 5 HIBDRN COc1c(-c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)cnc2ccccc21 ZINC000546431260 940818734 /nfs/dbraw/zinc/81/87/34/940818734.db2.gz HVKSVSLBZWSLAR-UHFFFAOYSA-N 0 0 415.365 4.122 20 5 HIBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(CN(C(=O)c2ccccc2)C2CC2)no1 ZINC000546444170 940821460 /nfs/dbraw/zinc/82/14/60/940821460.db2.gz UYZGIDMCKGFONT-SQFISAMPSA-N 0 0 404.426 4.343 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(CCCOc3ccccc3)n2)c(Br)c1 ZINC000546445597 940821724 /nfs/dbraw/zinc/82/17/24/940821724.db2.gz TUNXJNRMYSGOJA-UHFFFAOYSA-N 0 0 418.247 4.343 20 5 HIBDRN COc1cc(Cc2noc(-c3cnn(-c4cccc(C)c4)c3C)n2)ccc1[N+](=O)[O-] ZINC000546468374 940828080 /nfs/dbraw/zinc/82/80/80/940828080.db2.gz QDAROKWRVHDMPU-UHFFFAOYSA-N 0 0 405.414 4.047 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3csc(-c4ccc(F)c(F)c4)n3)n2)nc1 ZINC000546484792 940832827 /nfs/dbraw/zinc/83/28/27/940832827.db2.gz FDUZTJHWPPEJOB-UHFFFAOYSA-N 0 0 401.354 4.032 20 5 HIBDRN Cc1c(Cc2noc(C3CCN(c4nc5ccccc5o4)CC3)n2)cccc1[N+](=O)[O-] ZINC000546486025 940833206 /nfs/dbraw/zinc/83/32/06/940833206.db2.gz PEEZXTPYOKNMLD-UHFFFAOYSA-N 0 0 419.441 4.402 20 5 HIBDRN Cc1cc2cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)oc2c(Br)c1 ZINC000546486270 940833254 /nfs/dbraw/zinc/83/32/54/940833254.db2.gz ZTGSWLVCDSFEPZ-UHFFFAOYSA-N 0 0 415.203 4.448 20 5 HIBDRN Cc1nc(-c2ccccc2)ncc1-c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000546490042 940834502 /nfs/dbraw/zinc/83/45/02/940834502.db2.gz SPVZQLSVDJBSPV-UHFFFAOYSA-N 0 0 412.409 4.482 20 5 HIBDRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 ZINC000546490884 940834988 /nfs/dbraw/zinc/83/49/88/940834988.db2.gz RRKILUXCDYQVGU-SJCJKPOMSA-N 0 0 417.425 4.311 20 5 HIBDRN CCC(=O)c1ccc(OCc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 ZINC000546491641 940835225 /nfs/dbraw/zinc/83/52/25/940835225.db2.gz JWHLUZKUHSKGST-UHFFFAOYSA-N 0 0 406.398 4.222 20 5 HIBDRN C[C@H](Cc1ccc(F)c(Br)c1)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000546492743 940835528 /nfs/dbraw/zinc/83/55/28/940835528.db2.gz DEIDWJIKFMXSKX-SNVBAGLBSA-N 0 0 421.226 4.211 20 5 HIBDRN Cc1cc(Cc2noc(CCCc3nc(-c4cccs4)no3)n2)ccc1[N+](=O)[O-] ZINC000546493463 940835732 /nfs/dbraw/zinc/83/57/32/940835732.db2.gz CGDYJKHONRWBII-UHFFFAOYSA-N 0 0 411.443 4.164 20 5 HIBDRN Cc1noc(CCCc2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)n1 ZINC000546494196 940835894 /nfs/dbraw/zinc/83/58/94/940835894.db2.gz VEPTXRFVHUSFGR-UHFFFAOYSA-N 0 0 407.386 4.304 20 5 HIBDRN CCCOc1c(Cl)cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1OC ZINC000546494046 940835955 /nfs/dbraw/zinc/83/59/55/940835955.db2.gz RWUYAPNXMPAJBS-UHFFFAOYSA-N 0 0 404.810 4.081 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(/C=C/c3ccc(OCc4cccnc4)cc3)n2)nc1 ZINC000546494616 940835977 /nfs/dbraw/zinc/83/59/77/940835977.db2.gz KCUMVYHNPWXZHV-BJMVGYQFSA-N 0 0 415.409 4.108 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(Cc3n[nH]c(-c4ccccc4)n3)no2)cc(C(F)(F)F)c1 ZINC000546503167 940838077 /nfs/dbraw/zinc/83/80/77/940838077.db2.gz KAMHNFADOSVSCI-UHFFFAOYSA-N 0 0 416.319 4.040 20 5 HIBDRN C[C@@H]1C[C@@H](c2noc(-c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)n2)CCO1 ZINC000546512486 940840317 /nfs/dbraw/zinc/84/03/17/940840317.db2.gz CIKWRIUTAYRRAW-ZJUUUORDSA-N 0 0 424.244 4.420 20 5 HIBDRN Cn1ccc([C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccc(Cl)cc2)n1 ZINC000546523342 940842744 /nfs/dbraw/zinc/84/27/44/940842744.db2.gz KTVLAAIAZYUHHN-IBGZPJMESA-N 0 0 410.817 4.247 20 5 HIBDRN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCc1csc(-c2cccs2)n1 ZINC000546524288 940843091 /nfs/dbraw/zinc/84/30/91/940843091.db2.gz YHDNUTVCMZXAHS-UHFFFAOYSA-N 0 0 416.509 4.319 20 5 HIBDRN CCN(Cc1ccc(OC)cc1OC)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000546527642 940844628 /nfs/dbraw/zinc/84/46/28/940844628.db2.gz ZFYVONKUIHOCQS-UHFFFAOYSA-N 0 0 404.438 4.077 20 5 HIBDRN COc1ccc(-c2nsc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC000546535196 940846519 /nfs/dbraw/zinc/84/65/19/940846519.db2.gz CDKFFJRMKWLNPQ-UHFFFAOYSA-N 0 0 416.434 4.177 20 5 HIBDRN O=[N+]([O-])c1ccccc1/C=C\c1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1 ZINC000546543211 940848295 /nfs/dbraw/zinc/84/82/95/940848295.db2.gz HWDOESZQQQSYFG-HJWRWDBZSA-N 0 0 409.352 4.203 20 5 HIBDRN Cc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)n1Cc1ccncc1 ZINC000546556555 940851984 /nfs/dbraw/zinc/85/19/84/940851984.db2.gz XPLKKVAJOBMMCE-UHFFFAOYSA-N 0 0 404.470 4.261 20 5 HIBDRN COc1ccc(OC)c(/C=C\c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000546559165 940852914 /nfs/dbraw/zinc/85/29/14/940852914.db2.gz NSJFAXQHHDTAFM-BAQGIRSFSA-N 0 0 406.398 4.238 20 5 HIBDRN COCCn1cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c2ccccc21 ZINC000546559801 940852968 /nfs/dbraw/zinc/85/29/68/940852968.db2.gz IMUMKCMTEPALNM-UHFFFAOYSA-N 0 0 417.425 4.318 20 5 HIBDRN Cn1ccc([C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)n1 ZINC000546559834 940853221 /nfs/dbraw/zinc/85/32/21/940853221.db2.gz IJYHOGITZZGPAD-QGZVFWFLSA-N 0 0 405.241 4.155 20 5 HIBDRN CCN(Cc1ccccc1Br)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000546669861 940867956 /nfs/dbraw/zinc/86/79/56/940867956.db2.gz VPEOXTZSPKKXJU-UHFFFAOYSA-N 0 0 407.264 4.175 20 5 HIBDRN COc1ccc(CSCC(=O)NC2CC(C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000546696920 940870015 /nfs/dbraw/zinc/87/00/15/940870015.db2.gz UNPJOKHXTHZWRZ-UHFFFAOYSA-N 0 0 400.500 4.073 20 5 HIBDRN O=C(NCc1cc(Cl)cc2c1OCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000546753224 940877256 /nfs/dbraw/zinc/87/72/56/940877256.db2.gz MXVLJIUNFJAHQL-UHFFFAOYSA-N 0 0 401.850 4.057 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCc2c1cccc2C(F)(F)F ZINC000546755637 940877606 /nfs/dbraw/zinc/87/76/06/940877606.db2.gz UQACYDRSRHDKQT-UHFFFAOYSA-N 0 0 406.769 4.018 20 5 HIBDRN Cc1cc(Br)cn2cc(CNc3ccc([N+](=O)[O-])c4cccnc34)nc12 ZINC000546758547 940878279 /nfs/dbraw/zinc/87/82/79/940878279.db2.gz RARMGGRLDALROS-UHFFFAOYSA-N 0 0 412.247 4.474 20 5 HIBDRN Cc1nnc([C@@H](C)N[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)s1 ZINC000546809617 940886455 /nfs/dbraw/zinc/88/64/55/940886455.db2.gz ZPICRAGJYCAPBP-FZKQIMNGSA-N 0 0 411.487 4.094 20 5 HIBDRN Cc1ccc(F)c2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CCC2 ZINC000546855208 940896047 /nfs/dbraw/zinc/89/60/47/940896047.db2.gz YGTJFSRWFLURHJ-UHFFFAOYSA-N 0 0 418.368 4.203 20 5 HIBDRN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](c1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000546933606 940918188 /nfs/dbraw/zinc/91/81/88/940918188.db2.gz PGILJNXYTMQXRI-LLVKDONJSA-N 0 0 405.336 4.035 20 5 HIBDRN COc1cc(-c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)ccc1OC(C)C ZINC000546940616 940919870 /nfs/dbraw/zinc/91/98/70/940919870.db2.gz VFOZIUKJDKOEBB-UHFFFAOYSA-N 0 0 408.414 4.444 20 5 HIBDRN COc1ccc(CSCc2nc(CSCc3ccco3)no2)cc1[N+](=O)[O-] ZINC000546953099 940925803 /nfs/dbraw/zinc/92/58/03/940925803.db2.gz YKDRVGIYJMMCCB-UHFFFAOYSA-N 0 0 407.473 4.446 20 5 HIBDRN Cn1ncc2c1C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)CC2 ZINC000546961534 940928181 /nfs/dbraw/zinc/92/81/81/940928181.db2.gz GDSPEVYQDWAKEU-LBPRGKRZSA-N 0 0 414.512 4.285 20 5 HIBDRN CC(=O)Nc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000546959031 940928186 /nfs/dbraw/zinc/92/81/86/940928186.db2.gz AQAAJXFOIHMCLB-UHFFFAOYSA-N 0 0 403.192 4.033 20 5 HIBDRN Nc1ccc(-c2noc(CSCc3cc(-c4cccs4)on3)n2)cc1[N+](=O)[O-] ZINC000546963311 940929535 /nfs/dbraw/zinc/92/95/35/940929535.db2.gz UAMYLQSSIAHMHM-UHFFFAOYSA-N 0 0 415.456 4.377 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(-c3cc(F)ccc3I)n2)cc1 ZINC000546965789 940930394 /nfs/dbraw/zinc/93/03/94/940930394.db2.gz SIPHQVRWWXTHPL-UHFFFAOYSA-N 0 0 411.130 4.056 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC000546979773 940935195 /nfs/dbraw/zinc/93/51/95/940935195.db2.gz OQQJUGSBFLPTIU-JTQLQIEISA-N 0 0 403.778 4.209 20 5 HIBDRN Cc1ccc(-n2cnnc2SCc2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)cc1C ZINC000546986253 940940072 /nfs/dbraw/zinc/94/00/72/940940072.db2.gz AKSQFNJIQJUMKR-UHFFFAOYSA-N 0 0 422.470 4.443 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc(Cc3cc(F)cc(F)c3)no2)c2ccccc12 ZINC000547000411 940949282 /nfs/dbraw/zinc/94/92/82/940949282.db2.gz QVCZLAUIXZWDHF-UHFFFAOYSA-N 0 0 403.388 4.455 20 5 HIBDRN C/C(=C/c1nc(-c2ccccc2CN2CCOCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000547001519 940950224 /nfs/dbraw/zinc/95/02/24/940950224.db2.gz PUDHCUJMCUDWLI-PEZBUJJGSA-N 0 0 406.442 4.038 20 5 HIBDRN CC(C)(C)c1ccc(-c2nc(-c3ccc(Cn4cncn4)cc3)no2)cc1[N+](=O)[O-] ZINC000547004078 940951855 /nfs/dbraw/zinc/95/18/55/940951855.db2.gz GHHNVWHCRKTOIX-UHFFFAOYSA-N 0 0 404.430 4.249 20 5 HIBDRN C[C@H]1CCC[C@H](c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)C1 ZINC000547057641 940977158 /nfs/dbraw/zinc/97/71/58/940977158.db2.gz ZYXVKANGBOHUDA-RYUDHWBXSA-N 0 0 400.464 4.218 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc([N+](=O)[O-])s3)n2)ccc1OCC(F)(F)F ZINC000547058413 940977864 /nfs/dbraw/zinc/97/78/64/940977864.db2.gz JZLPKKKABNNMTC-UHFFFAOYSA-N 0 0 415.349 4.247 20 5 HIBDRN O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3cccnc3OC3CCCC3)no2)c1 ZINC000547074943 940984901 /nfs/dbraw/zinc/98/49/01/940984901.db2.gz LGASGEGOCMAJJW-UHFFFAOYSA-N 0 0 405.414 4.364 20 5 HIBDRN COCCOc1cccc(-c2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000547081656 940987754 /nfs/dbraw/zinc/98/77/54/940987754.db2.gz DMVGSBKBJYHFHS-GFCCVEGCSA-N 0 0 419.821 4.463 20 5 HIBDRN CSc1ccc(O[C@H](C)c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1 ZINC000547088069 940990493 /nfs/dbraw/zinc/99/04/93/940990493.db2.gz VQILRNXZNAJMNU-CYBMUJFWSA-N 0 0 400.460 4.494 20 5 HIBDRN C/C(=C\c1nc([C@H]2CN(Cc3ccccc3)CCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000547091503 940992122 /nfs/dbraw/zinc/99/21/22/940992122.db2.gz FPJMUPTWEVRRPE-MQMQVCBVSA-N 0 0 406.442 4.112 20 5 HIBDRN 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941522014 /nfs/dbraw/zinc/52/20/14/941522014.db2.gz GLNDOBPNGOEFKI-UHFFFAOYSA-N 0 0 415.446 4.120 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(F)(c2cccnc2)CC1 ZINC000551676944 941524708 /nfs/dbraw/zinc/52/47/08/941524708.db2.gz XJLXLNQHNNBFQV-UHFFFAOYSA-N 0 0 409.870 4.223 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)cc1[N+](=O)[O-] ZINC000551691326 941527331 /nfs/dbraw/zinc/52/73/31/941527331.db2.gz VAHWELKJUMYGDY-UHFFFAOYSA-N 0 0 416.865 4.328 20 5 HIBDRN COc1cc(C(=O)NCCC2(O)CCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000551695780 941528260 /nfs/dbraw/zinc/52/82/60/941528260.db2.gz GIYJOEIJAQBMMM-UHFFFAOYSA-N 0 0 420.849 4.084 20 5 HIBDRN O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)C1(Cc2ccccc2Br)CC1 ZINC000551803359 941548244 /nfs/dbraw/zinc/54/82/44/941548244.db2.gz VSRYNJPETJOAIO-UHFFFAOYSA-N 0 0 415.287 4.265 20 5 HIBDRN CCCOc1ccc(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000552033557 941571519 /nfs/dbraw/zinc/57/15/19/941571519.db2.gz IMJIXMMYGSGJRD-NRFANRHFSA-N 0 0 410.474 4.005 20 5 HIBDRN COc1ccc(CN2C[C@@H](CO)c3ccccc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552083938 941581794 /nfs/dbraw/zinc/58/17/94/941581794.db2.gz DTOFAOHMCADGOU-IBGZPJMESA-N 0 0 420.465 4.279 20 5 HIBDRN COc1ccc(-c2ccc(/C=C\c3nccc(-c4cnn(C)c4)n3)o2)c([N+](=O)[O-])c1 ZINC000552116304 941588491 /nfs/dbraw/zinc/58/84/91/941588491.db2.gz NXVKLGASCAOAGG-YVMONPNESA-N 0 0 403.398 4.224 20 5 HIBDRN COc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1[N+](=O)[O-] ZINC000552141694 941592669 /nfs/dbraw/zinc/59/26/69/941592669.db2.gz QQJXPSGJYSGNDB-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CO[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000552248655 941614172 /nfs/dbraw/zinc/61/41/72/941614172.db2.gz OBRDFEAWCWUUFA-OALUTQOASA-N 0 0 400.866 4.048 20 5 HIBDRN Cn1ccnc1[C@H](NCc1nc2cc(Cl)ccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000552252669 941614701 /nfs/dbraw/zinc/61/47/01/941614701.db2.gz SUSYGNNGJHHBMN-GOSISDBHSA-N 0 0 413.890 4.471 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000552262422 941616808 /nfs/dbraw/zinc/61/68/08/941616808.db2.gz WDDDTZPSPUEOMF-YJBOKZPZSA-N 0 0 420.556 4.253 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000552269330 941618797 /nfs/dbraw/zinc/61/87/97/941618797.db2.gz WIPYYZVQEDDKEL-LJQANCHMSA-N 0 0 418.396 4.068 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000552271846 941619728 /nfs/dbraw/zinc/61/97/28/941619728.db2.gz VJNDEYDSBACAKG-ZAAXVRCTSA-N 0 0 424.497 4.122 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1ncc(-c2ccccc2)s1 ZINC000552281004 941621498 /nfs/dbraw/zinc/62/14/98/941621498.db2.gz AYRXGLKKKSUERN-GXDHUFHOSA-N 0 0 402.435 4.373 20 5 HIBDRN Cc1cc(N2CCCCCC2)ccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000552294781 941624896 /nfs/dbraw/zinc/62/48/96/941624896.db2.gz DIRTWAWYRPFXLO-UHFFFAOYSA-N 0 0 424.501 4.042 20 5 HIBDRN Cn1cc([C@H]2N(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000552307225 941628339 /nfs/dbraw/zinc/62/83/39/941628339.db2.gz ZQOWIHNPUJMYDL-HXUWFJFHSA-N 0 0 405.458 4.295 20 5 HIBDRN Cn1ccnc1[C@H](NCCn1ccc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000552324691 941632163 /nfs/dbraw/zinc/63/21/63/941632163.db2.gz GOHJSEDHEBXSBP-HXUWFJFHSA-N 0 0 409.877 4.316 20 5 HIBDRN Cc1cn(-c2ccccc2)nc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552395619 941655847 /nfs/dbraw/zinc/65/58/47/941655847.db2.gz NCLXGJFNTMLWJB-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccccc2F)C1 ZINC000552417048 941664783 /nfs/dbraw/zinc/66/47/83/941664783.db2.gz SYWFKBJZVJRPHS-UHFFFAOYSA-N 0 0 405.223 4.344 20 5 HIBDRN COc1cc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000552423220 941666030 /nfs/dbraw/zinc/66/60/30/941666030.db2.gz YFJSUYOGLZLCKQ-BJKOFHAPSA-N 0 0 424.497 4.326 20 5 HIBDRN CCc1csc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 ZINC000552483974 941684672 /nfs/dbraw/zinc/68/46/72/941684672.db2.gz UNXSAXDDHIIHKA-UHFFFAOYSA-N 0 0 424.482 4.163 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(C)c3c2CCCN3)cc1[N+](=O)[O-] ZINC000552540923 941702204 /nfs/dbraw/zinc/70/22/04/941702204.db2.gz XCTGSRILWNXJBO-UHFFFAOYSA-N 0 0 401.488 4.142 20 5 HIBDRN COc1ccc(C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000552580422 941711777 /nfs/dbraw/zinc/71/17/77/941711777.db2.gz FHLAGTJUKQTLOE-IBGZPJMESA-N 0 0 404.850 4.155 20 5 HIBDRN CCCc1nc(C)c(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 ZINC000552608277 941720460 /nfs/dbraw/zinc/72/04/60/941720460.db2.gz HXLMBWRGJXFAHQ-AWEZNQCLSA-N 0 0 423.473 4.342 20 5 HIBDRN C[C@@H](Cc1ccc(Br)cc1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000552607290 941720478 /nfs/dbraw/zinc/72/04/78/941720478.db2.gz TZCSREXEYXAROC-AWEZNQCLSA-N 0 0 405.292 4.237 20 5 HIBDRN CCCOc1c(Cl)cc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000552608664 941721286 /nfs/dbraw/zinc/72/12/86/941721286.db2.gz WXNGPEXAYIQESC-UHFFFAOYSA-N 0 0 406.866 4.360 20 5 HIBDRN O=C(Nc1cccc(-c2ccc(F)cc2Cl)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000552759856 941754378 /nfs/dbraw/zinc/75/43/78/941754378.db2.gz ZXWCXAWGWULJOA-UHFFFAOYSA-N 0 0 415.764 4.430 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000552792512 941764533 /nfs/dbraw/zinc/76/45/33/941764533.db2.gz JEBGCUUEXGWFQD-ZDUSSCGKSA-N 0 0 410.396 4.480 20 5 HIBDRN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000552829629 941780713 /nfs/dbraw/zinc/78/07/13/941780713.db2.gz OMKUPIPOVZTRGJ-LPHOPBHVSA-N 0 0 409.467 4.226 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000552839215 941783942 /nfs/dbraw/zinc/78/39/42/941783942.db2.gz POIYHXPLKJPHLC-UGSOOPFHSA-N 0 0 408.376 4.145 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@](C)(c3ccccc3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000552848954 941786836 /nfs/dbraw/zinc/78/68/36/941786836.db2.gz BPBUGTWWSZVBPH-QHCPKHFHSA-N 0 0 419.485 4.068 20 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ZINC000553255172 941857028 /nfs/dbraw/zinc/85/70/28/941857028.db2.gz QCCQVNCPZLPZNV-UHFFFAOYSA-N 0 0 413.846 4.633 20 5 HIBDRN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553378865 941875842 /nfs/dbraw/zinc/87/58/42/941875842.db2.gz BQOWQMFDAXHVFH-FZKQIMNGSA-N 0 0 408.376 4.145 20 5 HIBDRN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553381585 941876948 /nfs/dbraw/zinc/87/69/48/941876948.db2.gz YRVUZQUMCFUYQJ-ACJLOTCBSA-N 0 0 408.376 4.145 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCN(c3ccccc3Br)C2)s1 ZINC000553386733 941877884 /nfs/dbraw/zinc/87/78/84/941877884.db2.gz AUTRAZHLNRCEAI-JTQLQIEISA-N 0 0 420.292 4.053 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[S@@](C)=O)cc1 ZINC000553412451 941881282 /nfs/dbraw/zinc/88/12/82/941881282.db2.gz OYPHHPHVJPWMNF-MUUNZHRXSA-N 0 0 420.556 4.151 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000553427133 941882753 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/nfs/dbraw/zinc/05/43/37/942054337.db2.gz ZUNYQQQEQGDZKG-UHFFFAOYSA-N 0 0 407.879 4.071 20 5 HIBDRN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(F)cc1 ZINC000554181045 942059912 /nfs/dbraw/zinc/05/99/12/942059912.db2.gz LBWDLSAKOUVKBO-UHFFFAOYSA-N 0 0 424.270 4.347 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000554269534 942085935 /nfs/dbraw/zinc/08/59/35/942085935.db2.gz BAOQJXUESIKUMN-IEBWSBKVSA-N 0 0 416.478 4.344 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000554273395 942086362 /nfs/dbraw/zinc/08/63/62/942086362.db2.gz FHYVPFJOVFRMEQ-GFCCVEGCSA-N 0 0 404.776 4.463 20 5 HIBDRN CCC(=O)Nc1ccc(Cl)c(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000554343721 942107894 /nfs/dbraw/zinc/10/78/94/942107894.db2.gz ZYRNWJLTWFKVCP-UHFFFAOYSA-N 0 0 401.810 4.259 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)C1CC1 ZINC000554388519 942122587 /nfs/dbraw/zinc/12/25/87/942122587.db2.gz SXIWZQKQOCGPGU-LJQANCHMSA-N 0 0 400.500 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COc1cccc(-c2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)c1[N+](=O)[O-] ZINC000554816821 942257514 /nfs/dbraw/zinc/25/75/14/942257514.db2.gz VPSXWLMSTWLYLY-LBPRGKRZSA-N 0 0 417.805 4.142 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)Cc1nnc(-c2ccccc2Br)o1 ZINC000554847505 942285551 /nfs/dbraw/zinc/28/55/51/942285551.db2.gz WITZMRSKOLHVFU-UHFFFAOYSA-N 0 0 417.263 4.082 20 5 HIBDRN CCOc1ccc(Br)cc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554861494 942295650 /nfs/dbraw/zinc/29/56/50/942295650.db2.gz YLJBXQDOKWESTC-UHFFFAOYSA-N 0 0 422.279 4.462 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1 ZINC000554871335 942302381 /nfs/dbraw/zinc/30/23/81/942302381.db2.gz SWSWSERWTBOXSW-UHFFFAOYSA-N 0 0 411.483 4.398 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 ZINC000554916763 942318090 /nfs/dbraw/zinc/31/80/90/942318090.db2.gz PARBUBSIVQDVHM-UHFFFAOYSA-N 0 0 418.396 4.007 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)c(C)c([N+](=O)[O-])c1 ZINC000554941631 942326404 /nfs/dbraw/zinc/32/64/04/942326404.db2.gz QHJYVERKSJVIBT-CYBMUJFWSA-N 0 0 412.442 4.271 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000555019093 942358639 /nfs/dbraw/zinc/35/86/39/942358639.db2.gz FNQXOQFUSYKEKH-JTQLQIEISA-N 0 0 410.257 4.280 20 5 HIBDRN CCN1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555125418 942392560 /nfs/dbraw/zinc/39/25/60/942392560.db2.gz LFISONSEABYXOJ-XLIONFOSSA-N 0 0 417.872 4.189 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000555134347 942398265 /nfs/dbraw/zinc/39/82/65/942398265.db2.gz CALNATUJUPQWOP-CQSZACIVSA-N 0 0 421.519 4.196 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCC(c3noc4cc(F)ccc43)CC2)c(Br)c1 ZINC000555139054 942400160 /nfs/dbraw/zinc/40/01/60/942400160.db2.gz AOLHZDSIZWEQBT-UHFFFAOYSA-N 0 0 421.226 4.417 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ncc(-c2ccccc2F)s1 ZINC000555203732 942430517 /nfs/dbraw/zinc/43/05/17/942430517.db2.gz PPMVCXPCOHLRGQ-UHFFFAOYSA-N 0 0 424.413 4.423 20 5 HIBDRN C[C@@H](C(=O)N1CCOc2ccc(Br)cc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000555203096 942430757 /nfs/dbraw/zinc/43/07/57/942430757.db2.gz ZNKFGEOAGUKIEJ-LLVKDONJSA-N 0 0 423.238 4.021 20 5 HIBDRN C[C@H](c1ccc(F)cc1)N1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1=O ZINC000555240952 942442361 /nfs/dbraw/zinc/44/23/61/942442361.db2.gz GNAWNJGKJBOBGZ-VLIAUNLRSA-N 0 0 408.433 4.446 20 5 HIBDRN CCCCOC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)CC1 ZINC000555358665 942493498 /nfs/dbraw/zinc/49/34/98/942493498.db2.gz YLAHMZCRZNKUQV-UHFFFAOYSA-N 0 0 401.511 4.295 20 5 HIBDRN O=[N+]([O-])c1cccc(Br)c1OC[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000555566497 942646526 /nfs/dbraw/zinc/64/65/26/942646526.db2.gz PDHIKRQGMGQMTN-KSSFIOAISA-N 0 0 422.275 4.191 20 5 HIBDRN C[C@@H](C(=O)NCCc1cc(Cl)ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000555737285 942716487 /nfs/dbraw/zinc/71/64/87/942716487.db2.gz CICCTQNYQBLSNI-LLVKDONJSA-N 0 0 411.683 4.473 20 5 HIBDRN 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XZMMIMCSMYHXDS-UHFFFAOYSA-N 0 0 410.430 4.083 20 5 HIBDRN CC[C@H]1CCCC[C@@H]1c1noc(CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)n1 ZINC000556388292 942854726 /nfs/dbraw/zinc/85/47/26/942854726.db2.gz SYQNMMSGDIVZAE-ZFWWWQNUSA-N 0 0 400.435 4.202 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1cccs1)C1Cc2ccccc2C1 ZINC000556406379 942858347 /nfs/dbraw/zinc/85/83/47/942858347.db2.gz NWFKSOQQHRANEJ-UHFFFAOYSA-N 0 0 414.508 4.015 20 5 HIBDRN CN(C(=O)c1csc(C(F)(F)F)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000556428071 942864247 /nfs/dbraw/zinc/86/42/47/942864247.db2.gz ZBBZIVMMTPEOII-UHFFFAOYSA-N 0 0 414.390 4.470 20 5 HIBDRN CC(C)C(C)(C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000556450342 942870696 /nfs/dbraw/zinc/87/06/96/942870696.db2.gz NHAUJWFXTDTDDG-UHFFFAOYSA-N 0 0 401.429 4.381 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)CNC(=O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000556482668 942881431 /nfs/dbraw/zinc/88/14/31/942881431.db2.gz PROSTLQIJWYINH-UHFFFAOYSA-N 0 0 423.391 4.280 20 5 HIBDRN Cc1ccc(Br)c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000556498417 942884928 /nfs/dbraw/zinc/88/49/28/942884928.db2.gz METLSTYNBXSYQO-UHFFFAOYSA-N 0 0 419.279 4.020 20 5 HIBDRN C[C@H](CCCC(F)(F)F)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556539598 942894528 /nfs/dbraw/zinc/89/45/28/942894528.db2.gz WGCJQTKMKJILSS-LLVKDONJSA-N 0 0 403.401 4.068 20 5 HIBDRN CC(C)(C(=O)NCCc1nc2cc(Cl)ccc2s1)c1ccccc1[N+](=O)[O-] ZINC000556582808 942905903 /nfs/dbraw/zinc/90/59/03/942905903.db2.gz WFVAPYUTKQCKLO-UHFFFAOYSA-N 0 0 403.891 4.494 20 5 HIBDRN Cn1ccnc1[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000556883086 942949705 /nfs/dbraw/zinc/94/97/05/942949705.db2.gz BBBNXKZWJQFMMM-NRFANRHFSA-N 0 0 405.458 4.047 20 5 HIBDRN CO[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000556885074 942950975 /nfs/dbraw/zinc/95/09/75/942950975.db2.gz LDADFVJOYHHKPI-OALUTQOASA-N 0 0 400.866 4.048 20 5 HIBDRN Cc1cc(F)ccc1N1CCC[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556886597 942951088 /nfs/dbraw/zinc/95/10/88/942951088.db2.gz WZZPAERILZCAHZ-UGKGYDQZSA-N 0 0 423.492 4.124 20 5 HIBDRN Cn1ccnc1[C@@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000556893554 942955722 /nfs/dbraw/zinc/95/57/22/942955722.db2.gz VOTACMIPLCLXQN-FQEVSTJZSA-N 0 0 422.876 4.428 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000557059752 943007897 /nfs/dbraw/zinc/00/78/97/943007897.db2.gz GBGBDIMIPATFAT-IBGZPJMESA-N 0 0 404.850 4.155 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 ZINC000557079363 943015210 /nfs/dbraw/zinc/01/52/10/943015210.db2.gz JZICDKRHJGBULC-UHFFFAOYSA-N 0 0 411.502 4.028 20 5 HIBDRN Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000557096837 943019364 /nfs/dbraw/zinc/01/93/64/943019364.db2.gz ACTLLYCXQSPBFH-UHFFFAOYSA-N 0 0 420.473 4.117 20 5 HIBDRN C[C@H]1COCC[C@H]1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000557111243 943021853 /nfs/dbraw/zinc/02/18/53/943021853.db2.gz JGLDBOQLWXGTIK-ZFWWWQNUSA-N 0 0 404.850 4.443 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1 ZINC000557334209 943074634 /nfs/dbraw/zinc/07/46/34/943074634.db2.gz MKLGEFLMJSGSPU-UHFFFAOYSA-N 0 0 420.796 4.235 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000557356341 943083946 /nfs/dbraw/zinc/08/39/46/943083946.db2.gz LCDLQYRNIYZIPJ-UHFFFAOYSA-N 0 0 418.500 4.479 20 5 HIBDRN CN(Cc1nc(-c2cccs2)no1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000557355789 943084083 /nfs/dbraw/zinc/08/40/83/943084083.db2.gz NREZXWOOCUGMJC-UHFFFAOYSA-N 0 0 424.891 4.110 20 5 HIBDRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000557369345 943089371 /nfs/dbraw/zinc/08/93/71/943089371.db2.gz LMEPJOHHAOMZAN-UHFFFAOYSA-N 0 0 410.392 4.472 20 5 HIBDRN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000557399336 943102883 /nfs/dbraw/zinc/10/28/83/943102883.db2.gz MIEORFNZOSHRJQ-NSHDSACASA-N 0 0 423.395 4.080 20 5 HIBDRN CCCc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000557458170 943139500 /nfs/dbraw/zinc/13/95/00/943139500.db2.gz WIYSODBHHGFZHQ-ZIAGYGMSSA-N 0 0 410.396 4.355 20 5 HIBDRN NC(=O)c1cccc(N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1[N+](=O)[O-] ZINC000557473916 943151528 /nfs/dbraw/zinc/15/15/28/943151528.db2.gz XWNPZCNFLLBNNF-UHFFFAOYSA-N 0 0 416.890 4.341 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2Sc2nnc(-c3ccccc3F)n2C2CC2)s1 ZINC000557476268 943153132 /nfs/dbraw/zinc/15/31/32/943153132.db2.gz JLHAPIZLUBFJNG-UHFFFAOYSA-N 0 0 414.447 4.483 20 5 HIBDRN CCOc1ccc(CCC2CCN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])CC2)cc1 ZINC000557475222 943153902 /nfs/dbraw/zinc/15/39/02/943153902.db2.gz FZWRCXSHKOBUMQ-UHFFFAOYSA-N 0 0 413.474 4.024 20 5 HIBDRN CC(C)(C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1)c1ccccc1[N+](=O)[O-] ZINC000557483451 943159082 /nfs/dbraw/zinc/15/90/82/943159082.db2.gz MJODSCUSQUHPGM-UHFFFAOYSA-N 0 0 416.481 4.469 20 5 HIBDRN O=C(Nc1ccc(F)cc1OC1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000557501730 943171866 /nfs/dbraw/zinc/17/18/66/943171866.db2.gz LVVOBLHRWRTQGX-UHFFFAOYSA-N 0 0 400.362 4.290 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)n1 ZINC000557633273 943240393 /nfs/dbraw/zinc/24/03/93/943240393.db2.gz ZXKUVRMEZWUCET-CQSZACIVSA-N 0 0 424.482 4.118 20 5 HIBDRN C[C@H]1COCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000557651759 943248111 /nfs/dbraw/zinc/24/81/11/943248111.db2.gz HVAWRNJCLDGWTG-LSDHHAIUSA-N 0 0 417.893 4.263 20 5 HIBDRN C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNc3ccc([N+](=O)[O-])cc3Cl)c2)C1=O ZINC000557672749 943254696 /nfs/dbraw/zinc/25/46/96/943254696.db2.gz PQRAESKRYHCLKG-FQEVSTJZSA-N 0 0 414.849 4.085 20 5 HIBDRN Cc1c(Br)c(N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)ncc1[N+](=O)[O-] ZINC000557696318 943260878 /nfs/dbraw/zinc/26/08/78/943260878.db2.gz ANAQNINNVTUCQE-OAGGEKHMSA-N 0 0 418.291 4.070 20 5 HIBDRN CC[C@@H](C)n1nc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C ZINC000557700066 943262895 /nfs/dbraw/zinc/26/28/95/943262895.db2.gz PTPGFHRTGXOOAI-SNVBAGLBSA-N 0 0 416.425 4.820 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000557829582 943305664 /nfs/dbraw/zinc/30/56/64/943305664.db2.gz BLGHBXJQCHNQMB-WBVHZDCISA-N 0 0 407.392 4.354 20 5 HIBDRN Cc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1I ZINC000557943359 943335844 /nfs/dbraw/zinc/33/58/44/943335844.db2.gz LMTIFNQGRGYJSG-UHFFFAOYSA-N 0 0 407.167 4.225 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000557942674 943335977 /nfs/dbraw/zinc/33/59/77/943335977.db2.gz ZPGDTVQQSOWMNR-DOTOQJQBSA-N 0 0 400.475 4.367 20 5 HIBDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000557975119 943344640 /nfs/dbraw/zinc/34/46/40/943344640.db2.gz POQDPSRFKZFPMV-UHFFFAOYSA-N 0 0 400.385 4.032 20 5 HIBDRN CC(C)(NC(=O)CCCCCNC(=O)NC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000557976814 943344975 /nfs/dbraw/zinc/34/49/75/943344975.db2.gz FZTGTIDVHAIIHO-UHFFFAOYSA-N 0 0 418.538 4.138 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCn2c(cc3ccccc32)C1 ZINC000557993245 943349029 /nfs/dbraw/zinc/34/90/29/943349029.db2.gz MFFIQNVFACUWKV-AWEZNQCLSA-N 0 0 413.861 4.403 20 5 HIBDRN Cc1ccc2c(c1)CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CCO2 ZINC000558017563 943357170 /nfs/dbraw/zinc/35/71/70/943357170.db2.gz GJRBGSGCKYPLOA-UHFFFAOYSA-N 0 0 409.364 4.026 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000558230471 943447321 /nfs/dbraw/zinc/44/73/21/943447321.db2.gz XVQJQSYBIBPGNP-LJQANCHMSA-N 0 0 423.391 4.445 20 5 HIBDRN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000558270340 943471957 /nfs/dbraw/zinc/47/19/57/943471957.db2.gz ZWMABDAHRMDABW-UHFFFAOYSA-N 0 0 410.396 4.386 20 5 HIBDRN Cc1cc(C)n(-c2ccc(Cl)c(-c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)n2)n1 ZINC000558365488 943528004 /nfs/dbraw/zinc/52/80/04/943528004.db2.gz SGFKIAITPWZUQC-UHFFFAOYSA-N 0 0 424.848 4.395 20 5 HIBDRN CCc1nn(C)c(NCc2cc(-c3c(OC)ccc4ccccc43)no2)c1[N+](=O)[O-] ZINC000558372948 943531680 /nfs/dbraw/zinc/53/16/80/943531680.db2.gz MGQIHENAUDCOOZ-UHFFFAOYSA-N 0 0 407.430 4.320 20 5 HIBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@H](NC(=O)c2ccccc2)C2CC2)no1 ZINC000558395555 943546154 /nfs/dbraw/zinc/54/61/54/943546154.db2.gz VHWNNKZDROZIFF-FNDLEWIFSA-N 0 0 404.426 4.419 20 5 HIBDRN C[C@@H](c1nc(CC(=O)Nc2ccccc2Cl)no1)c1ccc([N+](=O)[O-])cc1F ZINC000558461388 943565817 /nfs/dbraw/zinc/56/58/17/943565817.db2.gz CTVRLXUWLLFGQC-SNVBAGLBSA-N 0 0 404.785 4.103 20 5 HIBDRN Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)ccc1-c1ccccc1 ZINC000558581596 943607786 /nfs/dbraw/zinc/60/77/86/943607786.db2.gz CVWCOTJARBZJCH-UHFFFAOYSA-N 0 0 418.453 4.054 20 5 HIBDRN O=C(NCCc1cn[nH]c1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000558586147 943609077 /nfs/dbraw/zinc/60/90/77/943609077.db2.gz CHDIRICAXOIMQH-UHFFFAOYSA-N 0 0 402.863 4.095 20 5 HIBDRN NC(=O)c1ccnc(N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000558599544 943614221 /nfs/dbraw/zinc/61/42/21/943614221.db2.gz OKMSROJTCMTIDZ-MRXNPFEDSA-N 0 0 400.797 4.083 20 5 HIBDRN C[C@@H](C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000558694793 943629429 /nfs/dbraw/zinc/62/94/29/943629429.db2.gz UPIOHSPBIMMGQF-DOMZBBRYSA-N 0 0 408.285 4.400 20 5 HIBDRN C[C@H](C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000558694595 943629977 /nfs/dbraw/zinc/62/99/77/943629977.db2.gz ISQXUGNZPSBRJA-SCLBCKFNSA-N 0 0 408.376 4.317 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c1 ZINC000558759373 943649100 /nfs/dbraw/zinc/64/91/00/943649100.db2.gz ASQBCWOESCNMSY-MRXNPFEDSA-N 0 0 421.453 4.459 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CSc3ccc(Br)cc32)c1 ZINC000558792325 943664738 /nfs/dbraw/zinc/66/47/38/943664738.db2.gz RRRBPLMWCGMCLE-CQSZACIVSA-N 0 0 423.288 4.333 20 5 HIBDRN CC[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000558893125 943724654 /nfs/dbraw/zinc/72/46/54/943724654.db2.gz NYHZEZGQORJYHC-ZDUSSCGKSA-N 0 0 416.425 4.405 20 5 HIBDRN CSc1nnc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])s1 ZINC000559038871 943811786 /nfs/dbraw/zinc/81/17/86/943811786.db2.gz IVIXUIXJSALOME-UHFFFAOYSA-N 0 0 418.525 4.249 20 5 HIBDRN O=C(NC1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1)c1ccccc1 ZINC000559037372 943812041 /nfs/dbraw/zinc/81/20/41/943812041.db2.gz QRWFKSANEVACCD-UHFFFAOYSA-N 0 0 407.392 4.008 20 5 HIBDRN C[C@@H]1CC[C@@]2(CCN(c3nnc(-c4ccc([N+](=O)[O-])cc4)n3C[C@H]3CCCO3)C2)C1 ZINC000559137088 943851908 /nfs/dbraw/zinc/85/19/08/943851908.db2.gz BGGNVXSLPMKTGT-ZWDAVXSWSA-N 0 0 411.506 4.049 20 5 HIBDRN Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)cc2s1 ZINC000559260907 943887360 /nfs/dbraw/zinc/88/73/60/943887360.db2.gz SKVJDJXDHMJRPZ-UHFFFAOYSA-N 0 0 412.456 4.035 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000559349238 943903001 /nfs/dbraw/zinc/90/30/01/943903001.db2.gz WPQIYOFXAJCLKC-AWEZNQCLSA-N 0 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CCOC(=O)C[C@H](C)CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000559955631 944098831 /nfs/dbraw/zinc/09/88/31/944098831.db2.gz FUQGNHRVJGXOHL-AWEZNQCLSA-N 0 0 401.419 4.098 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCn4c(cc5c4cccc5Cl)C3)o2)cc1 ZINC000559989899 944115122 /nfs/dbraw/zinc/11/51/22/944115122.db2.gz WJYXOMUPMZSYNS-UHFFFAOYSA-N 0 0 409.833 4.269 20 5 HIBDRN O=[N+]([O-])c1ccc(CNCc2cccc(I)c2)c(Cl)c1 ZINC000560082653 944151750 /nfs/dbraw/zinc/15/17/50/944151750.db2.gz VDGZMTYZKGLVMO-UHFFFAOYSA-N 0 0 402.619 4.143 20 5 HIBDRN O=c1c2c3c(sc2nc(Sc2ccc([N+](=O)[O-])nc2)n1-c1ccccc1)CCC3 ZINC000560121109 944167604 /nfs/dbraw/zinc/16/76/04/944167604.db2.gz KSZOYXMGGPFZPB-UHFFFAOYSA-N 0 0 422.491 4.390 20 5 HIBDRN CCO[C@H](C)c1ncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000560129273 944170377 /nfs/dbraw/zinc/17/03/77/944170377.db2.gz WIRMWCIQTYZOIW-MRVPVSSYSA-N 0 0 400.254 4.164 20 5 HIBDRN COCCOCc1cc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ccc1F ZINC000560132482 944171978 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CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000011705609 845826844 /nfs/dbraw/zinc/82/68/44/845826844.db2.gz BBXZNZQAIVVERB-GOSISDBHSA-N 0 0 404.850 4.136 20 5 HIBDRN CCN(CC)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccco1 ZINC000436307013 861611213 /nfs/dbraw/zinc/61/12/13/861611213.db2.gz MCFCGIDKMLURTQ-OAQYLSRUSA-N 0 0 403.482 4.087 20 5 HIBDRN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000012018030 845847567 /nfs/dbraw/zinc/84/75/67/845847567.db2.gz YZXHAAGZTKGGIA-UHFFFAOYSA-N 0 0 403.797 4.298 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N[C@H](C(N)=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000012047554 845850197 /nfs/dbraw/zinc/85/01/97/845850197.db2.gz YUWUTNLLAUCXRH-FQEVSTJZSA-N 0 0 421.478 4.011 20 5 HIBDRN CNc1ccc(C(=O)O[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000012470667 845873288 /nfs/dbraw/zinc/87/32/88/845873288.db2.gz ISGATDRYRVTPLJ-HXUWFJFHSA-N 0 0 405.410 4.173 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000012479507 845874579 /nfs/dbraw/zinc/87/45/79/845874579.db2.gz YHOQHIRYUYRULZ-LJQANCHMSA-N 0 0 414.433 4.208 20 5 HIBDRN Cc1c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccccc1 ZINC000012592573 845878552 /nfs/dbraw/zinc/87/85/52/845878552.db2.gz MONJHBGLROKOHO-CQSZACIVSA-N 0 0 419.397 4.057 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccccc1[N+](=O)[O-] ZINC000012860754 845895317 /nfs/dbraw/zinc/89/53/17/845895317.db2.gz HQOGNMCTQGXJFI-MRXNPFEDSA-N 0 0 413.455 4.017 20 5 HIBDRN CC[C@@H](C)c1ccccc1OCC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000012905074 845897246 /nfs/dbraw/zinc/89/72/46/845897246.db2.gz TXEBBDCLANKIKL-CYBMUJFWSA-N 0 0 420.849 4.322 20 5 HIBDRN Cc1cccc(CCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000012938526 845898221 /nfs/dbraw/zinc/89/82/21/845898221.db2.gz IFWIQBPZIOAGGS-CYBMUJFWSA-N 0 0 424.375 4.425 20 5 HIBDRN CCCCCCn1nc(C(=O)OCc2ccccc2[N+](=O)[O-])c2ccccc2c1=O ZINC000013106711 845906312 /nfs/dbraw/zinc/90/63/12/845906312.db2.gz OJJVACUAFDWAOT-UHFFFAOYSA-N 0 0 409.442 4.242 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(CC2CCCCC2)CC1 ZINC000436316489 861620300 /nfs/dbraw/zinc/62/03/00/861620300.db2.gz XCKYDPYTWMHGFJ-UHFFFAOYSA-N 0 0 403.526 4.019 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c1C ZINC000014100013 845925279 /nfs/dbraw/zinc/92/52/79/845925279.db2.gz OABREJKAANXHES-UHFFFAOYSA-N 0 0 413.499 4.261 20 5 HIBDRN O=C(Nc1nc2c(s1)CCCCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014130285 845927165 /nfs/dbraw/zinc/92/71/65/845927165.db2.gz HRQRDXXAKUQYCV-UHFFFAOYSA-N 0 0 400.504 4.175 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000014375908 845943906 /nfs/dbraw/zinc/94/39/06/845943906.db2.gz ICFFRBGZYYJKQQ-INIZCTEOSA-N 0 0 424.375 4.426 20 5 HIBDRN Cn1ccnc1[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(F)cc1 ZINC000014402203 845945983 /nfs/dbraw/zinc/94/59/83/845945983.db2.gz UZCVUDZAOGMUQR-GOSISDBHSA-N 0 0 410.430 4.202 20 5 HIBDRN COc1ccccc1CCN(C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436320671 861624568 /nfs/dbraw/zinc/62/45/68/861624568.db2.gz UUHRLVIAYHDZRM-UHFFFAOYSA-N 0 0 422.431 4.283 20 5 HIBDRN CCCn1c2ccccc2nc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000014626203 845965097 /nfs/dbraw/zinc/96/50/97/845965097.db2.gz IGLFHWBECZRZGW-UHFFFAOYSA-N 0 0 403.236 4.369 20 5 HIBDRN CCSc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)s1 ZINC000014740006 845976444 /nfs/dbraw/zinc/97/64/44/845976444.db2.gz BWDGPKLIVIEBGB-UHFFFAOYSA-N 0 0 415.500 4.423 20 5 HIBDRN O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014906229 845991524 /nfs/dbraw/zinc/99/15/24/845991524.db2.gz SVPPCOATSZCBMD-UHFFFAOYSA-N 0 0 409.364 4.349 20 5 HIBDRN CCNC(=O)c1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000015022954 846000993 /nfs/dbraw/zinc/00/09/93/846000993.db2.gz AVCCVFKSWWVWGI-UHFFFAOYSA-N 0 0 418.453 4.209 20 5 HIBDRN O=c1c(Cl)c(Oc2ccccc2[N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cn1 ZINC000015111820 846009928 /nfs/dbraw/zinc/00/99/28/846009928.db2.gz JSTNOZDOTXYUCM-UHFFFAOYSA-N 0 0 412.711 4.000 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015171225 846015713 /nfs/dbraw/zinc/01/57/13/846015713.db2.gz BICZMPKCKPPFFG-UHFFFAOYSA-N 0 0 420.313 4.354 20 5 HIBDRN O=C1C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(=S)N1c1ccccc1F ZINC000015257136 846024917 /nfs/dbraw/zinc/02/49/17/846024917.db2.gz ZQUMMEKTXIAXKC-PTNGSMBKSA-N 0 0 409.398 4.256 20 5 HIBDRN COc1ccc2cc(CN(C)S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)ccc2c1 ZINC000015335042 846035741 /nfs/dbraw/zinc/03/57/41/846035741.db2.gz TVUIKKDVAUWDGT-UHFFFAOYSA-N 0 0 414.483 4.194 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2)c1C ZINC000015330253 846035988 /nfs/dbraw/zinc/03/59/88/846035988.db2.gz DXHLPDZGYVBIOK-UHFFFAOYSA-N 0 0 400.456 4.196 20 5 HIBDRN CN(Cc1ccccc1Br)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000015380085 846042076 /nfs/dbraw/zinc/04/20/76/846042076.db2.gz HYCCQHWOQWXYIK-UHFFFAOYSA-N 0 0 404.264 4.204 20 5 HIBDRN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015473105 846052045 /nfs/dbraw/zinc/05/20/45/846052045.db2.gz VOCKIXJETOTPNH-UHFFFAOYSA-N 0 0 421.419 4.489 20 5 HIBDRN CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000015546909 846061531 /nfs/dbraw/zinc/06/15/31/846061531.db2.gz LKRXRGUXRMQKJL-OAHLLOKOSA-N 0 0 424.320 4.367 20 5 HIBDRN COc1ccc(Cl)cc1CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000015551164 846061961 /nfs/dbraw/zinc/06/19/61/846061961.db2.gz CPRULELUUMLNDQ-NSHDSACASA-N 0 0 412.273 4.369 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2C)nc1-c1ccccc1 ZINC000015613983 846073191 /nfs/dbraw/zinc/07/31/91/846073191.db2.gz WAXUKSPLPHJBPO-UHFFFAOYSA-N 0 0 411.439 4.456 20 5 HIBDRN COc1ccc(C)cc1CC(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000015624481 846075163 /nfs/dbraw/zinc/07/51/63/846075163.db2.gz HPSVNFHRRPONQK-UHFFFAOYSA-N 0 0 420.421 4.312 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000015640417 846078068 /nfs/dbraw/zinc/07/80/68/846078068.db2.gz MYKWABXDMUHUJQ-UHFFFAOYSA-N 0 0 419.363 4.483 20 5 HIBDRN COc1cc(CN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000015652174 846080232 /nfs/dbraw/zinc/08/02/32/846080232.db2.gz RUPKDUSDNBKXJB-UHFFFAOYSA-N 0 0 400.765 4.130 20 5 HIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1OC(F)F ZINC000015710091 846086289 /nfs/dbraw/zinc/08/62/89/846086289.db2.gz CKFYBFTXBGOVKS-SECBINFHSA-N 0 0 414.748 4.034 20 5 HIBDRN C[C@@H](OC(=O)c1c2ccccc2cc2ccccc21)C(=O)Nc1sccc1C(N)=O ZINC000015798031 846093142 /nfs/dbraw/zinc/09/31/42/846093142.db2.gz DWPQFMOALJZTDD-CYBMUJFWSA-N 0 0 418.474 4.337 20 5 HIBDRN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)/C=C/c1cccc(F)c1 ZINC000016014867 846113488 /nfs/dbraw/zinc/11/34/88/846113488.db2.gz MXYXPCAECHXURZ-MDZDMXLPSA-N 0 0 410.405 4.234 20 5 HIBDRN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000016110210 846125744 /nfs/dbraw/zinc/12/57/44/846125744.db2.gz FAIWJAAFQPNVFY-MRXNPFEDSA-N 0 0 401.463 4.301 20 5 HIBDRN Cc1c(Cl)cccc1-n1ccnc1SCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000016132065 846127336 /nfs/dbraw/zinc/12/73/36/846127336.db2.gz XVADCQJPIFGNKJ-UHFFFAOYSA-N 0 0 402.863 4.134 20 5 HIBDRN COc1cc(CCNC(=O)c2oc3ccc(Cl)cc3c2C)c([N+](=O)[O-])cc1OC ZINC000016144051 846129563 /nfs/dbraw/zinc/12/95/63/846129563.db2.gz RGRHFHFKJVUQTD-UHFFFAOYSA-N 0 0 418.833 4.293 20 5 HIBDRN Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016166280 846132642 /nfs/dbraw/zinc/13/26/42/846132642.db2.gz MZCJLTWOEWHAAP-OAHLLOKOSA-N 0 0 405.410 4.149 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000016196502 846137420 /nfs/dbraw/zinc/13/74/20/846137420.db2.gz FWJUROHEQASHIQ-SECBINFHSA-N 0 0 412.826 4.293 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000016196807 846137576 /nfs/dbraw/zinc/13/75/76/846137576.db2.gz OSBXBWSQPXMXHZ-NSHDSACASA-N 0 0 408.863 4.004 20 5 HIBDRN Cc1[nH]c2ccccc2c1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000016296071 846149140 /nfs/dbraw/zinc/14/91/40/846149140.db2.gz DKVZOXMCVFNKQI-NSHDSACASA-N 0 0 401.806 4.222 20 5 HIBDRN COc1ccc(OC)c(NC(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 ZINC000016324856 846154008 /nfs/dbraw/zinc/15/40/08/846154008.db2.gz HQJYWKHYAYPHLZ-UHFFFAOYSA-N 0 0 414.439 4.358 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cc(Br)ccc1F ZINC000016387060 846163621 /nfs/dbraw/zinc/16/36/21/846163621.db2.gz IELRWWRWWFCPIG-YFHOEESVSA-N 0 0 416.206 4.151 20 5 HIBDRN COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)cc1OC ZINC000016458721 846174631 /nfs/dbraw/zinc/17/46/31/846174631.db2.gz QPLRNHFDXXHKKD-UHFFFAOYSA-N 0 0 422.437 4.220 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc2[N+](=O)[O-])cc1 ZINC000016511040 846180707 /nfs/dbraw/zinc/18/07/07/846180707.db2.gz JFRIUERVUAYVSW-UHFFFAOYSA-N 0 0 423.494 4.290 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1occc1-c1ccccc1 ZINC000016537441 846181056 /nfs/dbraw/zinc/18/10/56/846181056.db2.gz OZDYQAOCLCPYNR-ZDUSSCGKSA-N 0 0 410.382 4.047 20 5 HIBDRN C[C@@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000016615179 846189918 /nfs/dbraw/zinc/18/99/18/846189918.db2.gz NDVRMIRQNODTOU-NEPJUHHUSA-N 0 0 417.805 4.370 20 5 HIBDRN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436339860 861649550 /nfs/dbraw/zinc/64/95/50/861649550.db2.gz FFJUZQFPEKQAFW-LJQANCHMSA-N 0 0 402.425 4.301 20 5 HIBDRN Cc1cc(C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000016700364 846197930 /nfs/dbraw/zinc/19/79/30/846197930.db2.gz KUGIRQGODAIQDU-UHFFFAOYSA-N 0 0 404.348 4.419 20 5 HIBDRN C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)Nc1c(F)cccc1F ZINC000016800349 846212050 /nfs/dbraw/zinc/21/20/50/846212050.db2.gz DIGHJBDADCSNNN-VIFPVBQESA-N 0 0 406.366 4.272 20 5 HIBDRN CC(C)CNC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000016906077 846219005 /nfs/dbraw/zinc/21/90/05/846219005.db2.gz HSXXYUNHPDHZBW-ZDUSSCGKSA-N 0 0 420.849 4.358 20 5 HIBDRN Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N)c1 ZINC000017150040 846233536 /nfs/dbraw/zinc/23/35/36/846233536.db2.gz XGOCRGBLXMFMEK-UHFFFAOYSA-N 0 0 413.503 4.203 20 5 HIBDRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)OCc1nc3ccccc3c3ccccc13)C2=O ZINC000017156036 846234207 /nfs/dbraw/zinc/23/42/07/846234207.db2.gz RXMMLKURTCBMNL-MRXNPFEDSA-N 0 0 424.456 4.424 20 5 HIBDRN Cc1c(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cccc1[N+](=O)[O-] ZINC000017269999 846237880 /nfs/dbraw/zinc/23/78/80/846237880.db2.gz ZXORFIILVBYCKV-UHFFFAOYSA-N 0 0 415.500 4.289 20 5 HIBDRN Cc1c2ccc3ccccc3c2oc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000017231212 846238619 /nfs/dbraw/zinc/23/86/19/846238619.db2.gz PAFOYBBEZDEQOK-UHFFFAOYSA-N 0 0 404.378 4.259 20 5 HIBDRN CCOc1ccc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000017291280 846240946 /nfs/dbraw/zinc/24/09/46/846240946.db2.gz 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ZINC000023050515 846653108 /nfs/dbraw/zinc/65/31/08/846653108.db2.gz ONXOCKGVQIPVJQ-UHFFFAOYSA-N 0 0 418.862 4.173 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000023102958 846659493 /nfs/dbraw/zinc/65/94/93/846659493.db2.gz WAIHYFSQXWZDKW-HNNXBMFYSA-N 0 0 422.485 4.035 20 5 HIBDRN C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N1CCc2sccc2C1 ZINC000023213917 846671185 /nfs/dbraw/zinc/67/11/85/846671185.db2.gz SKESFMCJLJWPAM-JTQLQIEISA-N 0 0 405.526 4.332 20 5 HIBDRN Cc1cccc(OCCNC(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000023214175 846671314 /nfs/dbraw/zinc/67/13/14/846671314.db2.gz GFZWPGOHHNHXHC-ZDUSSCGKSA-N 0 0 417.512 4.189 20 5 HIBDRN COCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000023271256 846679084 /nfs/dbraw/zinc/67/90/84/846679084.db2.gz DPLVXTHXQWEYJQ-GFCCVEGCSA-N 0 0 419.890 4.458 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000023486232 846705983 /nfs/dbraw/zinc/70/59/83/846705983.db2.gz DSWLDWIXJMKXPN-UHFFFAOYSA-N 0 0 411.028 4.009 20 5 HIBDRN CN(c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000023606314 846728694 /nfs/dbraw/zinc/72/86/94/846728694.db2.gz ONITUJTTZXIRRD-UHFFFAOYSA-N 0 0 419.846 4.261 20 5 HIBDRN C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000023792577 846750772 /nfs/dbraw/zinc/75/07/72/846750772.db2.gz MFRUVJBEYULDBN-ZDUSSCGKSA-N 0 0 406.280 4.427 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1ccccn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000023997001 846770382 /nfs/dbraw/zinc/77/03/82/846770382.db2.gz JTMCMPJKDYLWOX-HSZRJFAPSA-N 0 0 416.481 4.112 20 5 HIBDRN Cn1ccnc1[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(F)c1 ZINC000024015961 846773890 /nfs/dbraw/zinc/77/38/90/846773890.db2.gz HLXJILNEROJYJR-GOSISDBHSA-N 0 0 410.430 4.202 20 5 HIBDRN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000024124814 846793406 /nfs/dbraw/zinc/79/34/06/846793406.db2.gz SXCNRAXIVOIJQZ-INIZCTEOSA-N 0 0 416.499 4.056 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3c(cccc3F)s2)cccc1[N+](=O)[O-] ZINC000024176141 846796210 /nfs/dbraw/zinc/79/62/10/846796210.db2.gz GJEZCKVQKLHALX-LLVKDONJSA-N 0 0 402.403 4.441 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])OCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000024485711 846830166 /nfs/dbraw/zinc/83/01/66/846830166.db2.gz GBLFRFFPMTYZEO-UHFFFAOYSA-N 0 0 411.435 4.025 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000024512297 846834065 /nfs/dbraw/zinc/83/40/65/846834065.db2.gz OGDTYWSVADFCMR-UHFFFAOYSA-N 0 0 421.240 4.164 20 5 HIBDRN COc1ccc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1Br ZINC000436381449 861723897 /nfs/dbraw/zinc/72/38/97/861723897.db2.gz ALAXWOBNIROTAT-UHFFFAOYSA-N 0 0 406.158 4.392 20 5 HIBDRN O=C(Nc1ccccc1SC1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000024579759 846841323 /nfs/dbraw/zinc/84/13/23/846841323.db2.gz ZWOPNOJFJFDAGE-UHFFFAOYSA-N 0 0 409.471 4.463 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000436385855 861727472 /nfs/dbraw/zinc/72/74/72/861727472.db2.gz OTMQGDTWUNGLOF-AWEZNQCLSA-N 0 0 419.306 4.188 20 5 HIBDRN COc1ccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c2ccccc2)cc1 ZINC000024973244 846898985 /nfs/dbraw/zinc/89/89/85/846898985.db2.gz CMXHUZXBIGQQMN-QHCPKHFHSA-N 0 0 406.438 4.196 20 5 HIBDRN CSc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000024998037 846901692 /nfs/dbraw/zinc/90/16/92/846901692.db2.gz KURSKGMOXLYDSP-OLZOCXBDSA-N 0 0 420.512 4.368 20 5 HIBDRN O=C(Nc1cccnc1-n1cccn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000025009747 846904774 /nfs/dbraw/zinc/90/47/74/846904774.db2.gz XNRBYXCPVMUTKZ-UHFFFAOYSA-N 0 0 414.425 4.040 20 5 HIBDRN CC(C)(C)c1ccc(OCc2nnc(SCc3ccccc3[N+](=O)[O-])n2N)cc1 ZINC000025116319 846930218 /nfs/dbraw/zinc/93/02/18/846930218.db2.gz HBKNKZZNWZTXBX-UHFFFAOYSA-N 0 0 413.503 4.069 20 5 HIBDRN O=C(NC[C@@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000025388247 846973139 /nfs/dbraw/zinc/97/31/39/846973139.db2.gz ALQBQCZLFBDUIV-MRXNPFEDSA-N 0 0 422.462 4.316 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC(c4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000025517664 846991471 /nfs/dbraw/zinc/99/14/71/846991471.db2.gz SKBZBDZWSIUBBH-UHFFFAOYSA-N 0 0 418.497 4.476 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000025760426 847032739 /nfs/dbraw/zinc/03/27/39/847032739.db2.gz ZYCLRFFHTHRUJH-UHFFFAOYSA-N 0 0 413.430 4.008 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(Cl)c3ncccc23)c([N+](=O)[O-])cc1OC ZINC000026087602 847081478 /nfs/dbraw/zinc/08/14/78/847081478.db2.gz HKYPESIDUQZEBO-UHFFFAOYSA-N 0 0 401.806 4.456 20 5 HIBDRN CC(=O)N(c1nc(COC(=O)c2c(C)cccc2[N+](=O)[O-])cs1)c1ccccc1 ZINC000026118745 847088751 /nfs/dbraw/zinc/08/87/51/847088751.db2.gz DDAPNTVTDVLKJC-UHFFFAOYSA-N 0 0 411.439 4.401 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000026118790 847090210 /nfs/dbraw/zinc/09/02/10/847090210.db2.gz PWONRZIKPAEZTE-LLVKDONJSA-N 0 0 411.241 4.244 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000026119553 847090287 /nfs/dbraw/zinc/09/02/87/847090287.db2.gz JHAKHYSSZXYDIE-CQSZACIVSA-N 0 0 412.442 4.316 20 5 HIBDRN Cc1ccc2sc(N(Cc3ccccc3)C(=O)Cn3cnc([N+](=O)[O-])c3)nc2c1C ZINC000026123651 847091489 /nfs/dbraw/zinc/09/14/89/847091489.db2.gz OLMYTVFOEDCLLT-UHFFFAOYSA-N 0 0 421.482 4.251 20 5 HIBDRN CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1cccs1 ZINC000026221206 847104866 /nfs/dbraw/zinc/10/48/66/847104866.db2.gz RCHWEKCUYKFZNA-UHFFFAOYSA-N 0 0 417.516 4.364 20 5 HIBDRN CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 ZINC000026221202 847105023 /nfs/dbraw/zinc/10/50/23/847105023.db2.gz JHKZUSSWFLBCGI-UHFFFAOYSA-N 0 0 403.489 4.056 20 5 HIBDRN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)s1 ZINC000026224562 847106436 /nfs/dbraw/zinc/10/64/36/847106436.db2.gz ITGNFOWANUKJMN-SECBINFHSA-N 0 0 416.377 4.476 20 5 HIBDRN CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1 ZINC000026251381 847112266 /nfs/dbraw/zinc/11/22/66/847112266.db2.gz SNEANJIWYWLLOV-UHFFFAOYSA-N 0 0 411.487 4.303 20 5 HIBDRN C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026347308 847130369 /nfs/dbraw/zinc/13/03/69/847130369.db2.gz AMFYWZLKTWPHNL-CHWSQXEVSA-N 0 0 412.515 4.211 20 5 HIBDRN COc1ccc(NC(=O)CCSc2nnc(-c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 ZINC000026371607 847136289 /nfs/dbraw/zinc/13/62/89/847136289.db2.gz HAKLWFUNKLFSFS-UHFFFAOYSA-N 0 0 414.443 4.083 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000026530304 847164055 /nfs/dbraw/zinc/16/40/55/847164055.db2.gz DOKHDKHDFPFABI-UHFFFAOYSA-N 0 0 401.875 4.425 20 5 HIBDRN O=Cc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000026535769 847164891 /nfs/dbraw/zinc/16/48/91/847164891.db2.gz QPHLVBCRNLDKDL-UHFFFAOYSA-N 0 0 402.712 4.097 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3cc(F)ccc3s2)cccc1[N+](=O)[O-] ZINC000026533071 847165053 /nfs/dbraw/zinc/16/50/53/847165053.db2.gz JKFLIPYVBABUSN-NSHDSACASA-N 0 0 402.403 4.441 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000026565764 847169875 /nfs/dbraw/zinc/16/98/75/847169875.db2.gz YXALMAZKJBCEAC-OAQYLSRUSA-N 0 0 412.467 4.258 20 5 HIBDRN CCc1c(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n[nH]c1-c1ccncc1 ZINC000436410654 861761050 /nfs/dbraw/zinc/76/10/50/861761050.db2.gz LHLHUNJTVKPYQR-UHFFFAOYSA-N 0 0 409.449 4.281 20 5 HIBDRN Cc1ccc(C(=O)C2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000026640547 847178898 /nfs/dbraw/zinc/17/88/98/847178898.db2.gz ZHKGQWWWXXDEKJ-QGZVFWFLSA-N 0 0 409.486 4.134 20 5 HIBDRN CC(=O)c1ccc(N2CCN([C@H](C)c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 ZINC000026758896 847193203 /nfs/dbraw/zinc/19/32/03/847193203.db2.gz UVJPQWBNLQYTSO-CQSZACIVSA-N 0 0 410.499 4.290 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3ccc(F)cc3s2)cccc1[N+](=O)[O-] ZINC000026817981 847202004 /nfs/dbraw/zinc/20/20/04/847202004.db2.gz FCOODPYMGLRCKR-LLVKDONJSA-N 0 0 402.403 4.441 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000026823262 847202973 /nfs/dbraw/zinc/20/29/73/847202973.db2.gz CUJKNAFFFXAGGP-LJQANCHMSA-N 0 0 413.474 4.168 20 5 HIBDRN CCCc1nnc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000026834043 847205148 /nfs/dbraw/zinc/20/51/48/847205148.db2.gz JLLAITJZDSNACN-STQMWFEESA-N 0 0 403.508 4.133 20 5 HIBDRN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000026926501 847223253 /nfs/dbraw/zinc/22/32/53/847223253.db2.gz JZQDGSMWAPHGIF-UHFFFAOYSA-N 0 0 405.454 4.282 20 5 HIBDRN Cc1cc(N2CCCC2)ccc1NC(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000026924287 847223312 /nfs/dbraw/zinc/22/33/12/847223312.db2.gz MOWZNVUIJHYUCH-UHFFFAOYSA-N 0 0 416.909 4.227 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1OC ZINC000026985899 847231130 /nfs/dbraw/zinc/23/11/30/847231130.db2.gz WDUKYVIFDCFTAI-UHFFFAOYSA-N 0 0 422.821 4.069 20 5 HIBDRN O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000027225962 847269619 /nfs/dbraw/zinc/26/96/19/847269619.db2.gz APKSGFWSQJOKGA-UHFFFAOYSA-N 0 0 413.611 4.034 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3cc(Cl)ccc3o2)cccc1[N+](=O)[O-] ZINC000027427176 847302217 /nfs/dbraw/zinc/30/22/17/847302217.db2.gz ZRSJVWUEAZDWDS-NSHDSACASA-N 0 0 402.790 4.487 20 5 HIBDRN Cc1cccnc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000027651881 847332716 /nfs/dbraw/zinc/33/27/16/847332716.db2.gz MODZRKJVDHYNSB-UHFFFAOYSA-N 0 0 413.437 4.332 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)O[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1[N+](=O)[O-] ZINC000027920238 847364038 /nfs/dbraw/zinc/36/40/38/847364038.db2.gz VSILLMXAOUOOTF-OAHLLOKOSA-N 0 0 424.413 4.283 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000027939125 847366485 /nfs/dbraw/zinc/36/64/85/847366485.db2.gz PZLPWIAJJYLCEC-UHFFFAOYSA-N 0 0 415.398 4.041 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000027974697 847369713 /nfs/dbraw/zinc/36/97/13/847369713.db2.gz FJYBZRLRQCOOPI-HNNXBMFYSA-N 0 0 403.485 4.039 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000027981672 847371337 /nfs/dbraw/zinc/37/13/37/847371337.db2.gz ZHCQWGSHHRCUIL-UHFFFAOYSA-N 0 0 402.403 4.307 20 5 HIBDRN C[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1Cl ZINC000027989515 847372866 /nfs/dbraw/zinc/37/28/66/847372866.db2.gz JXAZOYJCAOADHW-LBPRGKRZSA-N 0 0 404.806 4.241 20 5 HIBDRN Cc1cccc(Oc2ccc(NC(=O)Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)cc2)c1 ZINC000028005311 847375112 /nfs/dbraw/zinc/37/51/12/847375112.db2.gz FCBYGHLIEKYPLW-UHFFFAOYSA-N 0 0 419.393 4.242 20 5 HIBDRN Cc1ccc(C)c(OCCC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000028675720 847444728 /nfs/dbraw/zinc/44/47/28/847444728.db2.gz ZSMKREIQXLCBEE-AWEZNQCLSA-N 0 0 420.849 4.204 20 5 HIBDRN CCOc1ccc(CCC2CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)cc1 ZINC000028795114 847461831 /nfs/dbraw/zinc/46/18/31/847461831.db2.gz LPAORJSMRIHIEY-UHFFFAOYSA-N 0 0 422.485 4.079 20 5 HIBDRN CCOc1ccc(C(=O)CCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OCC ZINC000028875011 847470369 /nfs/dbraw/zinc/47/03/69/847470369.db2.gz RRIOESRMOVXPSQ-UHFFFAOYSA-N 0 0 400.431 4.302 20 5 HIBDRN Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cs1 ZINC000029106075 847507441 /nfs/dbraw/zinc/50/74/41/847507441.db2.gz VUWZNXBHXQRVKB-LLVKDONJSA-N 0 0 412.427 4.426 20 5 HIBDRN CNC(=O)Nc1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000029156091 847516169 /nfs/dbraw/zinc/51/61/69/847516169.db2.gz UDMQZZXFDHCRHY-UHFFFAOYSA-N 0 0 419.441 4.211 20 5 HIBDRN O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000029252909 847531020 /nfs/dbraw/zinc/53/10/20/847531020.db2.gz VPYLHZLMKLYCSO-UHFFFAOYSA-N 0 0 409.467 4.478 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000436438927 861802374 /nfs/dbraw/zinc/80/23/74/861802374.db2.gz KGHZNCDKUWYWBB-QGZVFWFLSA-N 0 0 416.861 4.316 20 5 HIBDRN CN(C(=O)COC(=O)Cc1coc2ccc3ccccc3c12)c1ccc([N+](=O)[O-])cc1 ZINC000029382039 847556644 /nfs/dbraw/zinc/55/66/44/847556644.db2.gz GFBBXKXNYSONMJ-UHFFFAOYSA-N 0 0 418.405 4.243 20 5 HIBDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000029426058 847562624 /nfs/dbraw/zinc/56/26/24/847562624.db2.gz DEWRHAMVRKHKRP-GFCCVEGCSA-N 0 0 416.430 4.325 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2cnn(Cc3cccs3)c2n1 ZINC000029600027 847586834 /nfs/dbraw/zinc/58/68/34/847586834.db2.gz ZWBFAERDYZMURM-UHFFFAOYSA-N 0 0 411.418 4.149 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1[N+](=O)[O-] ZINC000029614474 847589213 /nfs/dbraw/zinc/58/92/13/847589213.db2.gz NAUIYLKDXBTTOO-UHFFFAOYSA-N 0 0 409.421 4.280 20 5 HIBDRN CCNc1ccc(C(=O)N2CCc3cc(OCC)c(OCC)cc3C2)cc1[N+](=O)[O-] ZINC000029708830 847604858 /nfs/dbraw/zinc/60/48/58/847604858.db2.gz BSCPZEFLJMTJIE-UHFFFAOYSA-N 0 0 413.474 4.023 20 5 HIBDRN COc1cccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)c2c[nH]c3ccccc32)c1OC ZINC000029852639 847634802 /nfs/dbraw/zinc/63/48/02/847634802.db2.gz ILSCRTNKCYSGPY-QGZVFWFLSA-N 0 0 421.457 4.071 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000030317127 847702538 /nfs/dbraw/zinc/70/25/38/847702538.db2.gz ZEUKWTQVTQAPDK-GFCCVEGCSA-N 0 0 424.284 4.241 20 5 HIBDRN C[C@@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000030369240 847707786 /nfs/dbraw/zinc/70/77/86/847707786.db2.gz NOJGEROZNBOUKM-ABAIWWIYSA-N 0 0 410.879 4.318 20 5 HIBDRN C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000030395304 847711820 /nfs/dbraw/zinc/71/18/20/847711820.db2.gz QUCZTGCBWMCJMU-OAHLLOKOSA-N 0 0 410.474 4.013 20 5 HIBDRN COc1cccc2c1N(C(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)CCC2 ZINC000030575135 847740095 /nfs/dbraw/zinc/74/00/95/847740095.db2.gz IUAMBOYRZDIQLE-UHFFFAOYSA-N 0 0 420.469 4.058 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)Nc3nnc4ccccn43)cc2[N+](=O)[O-])cc1 ZINC000030693052 847760402 /nfs/dbraw/zinc/76/04/02/847760402.db2.gz BLHZMCGBASRUHB-UHFFFAOYSA-N 0 0 405.439 4.349 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000031128913 847826968 /nfs/dbraw/zinc/82/69/68/847826968.db2.gz PDTRERKVURMCHG-HNNXBMFYSA-N 0 0 406.442 4.330 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000031176100 847835872 /nfs/dbraw/zinc/83/58/72/847835872.db2.gz ZZYNFOAGWZVGPR-UHFFFAOYSA-N 0 0 405.458 4.065 20 5 HIBDRN Cc1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)ccc1Br ZINC000031262997 847852962 /nfs/dbraw/zinc/85/29/62/847852962.db2.gz MJZMYFPDXDYHRS-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000031396703 847874599 /nfs/dbraw/zinc/87/45/99/847874599.db2.gz TVRPSPFBWVOCTE-ZIAGYGMSSA-N 0 0 413.499 4.301 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2ccc(Br)cc2)c1 ZINC000031484373 847894303 /nfs/dbraw/zinc/89/43/03/847894303.db2.gz ZGWLJDCNOCSWDT-CYBMUJFWSA-N 0 0 407.264 4.312 20 5 HIBDRN NC(=O)c1ccc(CSc2nc3c(n2-c2ccccc2)CCCC3)c([N+](=O)[O-])c1 ZINC000031634430 847921389 /nfs/dbraw/zinc/92/13/89/847921389.db2.gz SXHLKNFOGMXTGE-UHFFFAOYSA-N 0 0 408.483 4.051 20 5 HIBDRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000031702097 847933295 /nfs/dbraw/zinc/93/32/95/847933295.db2.gz VUYWKCKKRZEXAD-MRVPVSSYSA-N 0 0 401.163 4.042 20 5 HIBDRN C[C@H]1CCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2ccccc21 ZINC000031784796 847947821 /nfs/dbraw/zinc/94/78/21/847947821.db2.gz VBGRJGFFMPLOJA-ZDUSSCGKSA-N 0 0 409.471 4.029 20 5 HIBDRN COc1cccc(-n2ccnc2SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000031844609 847957999 /nfs/dbraw/zinc/95/79/99/847957999.db2.gz OPXAFXSTDJIQLO-UHFFFAOYSA-N 0 0 409.427 4.131 20 5 HIBDRN Cc1sc2nc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)nc(N)c2c1C ZINC000031851871 847958669 /nfs/dbraw/zinc/95/86/69/847958669.db2.gz KUGAYQWTSXPKSD-UHFFFAOYSA-N 0 0 414.472 4.141 20 5 HIBDRN CCC(CC)c1nnc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000031877775 847959882 /nfs/dbraw/zinc/95/98/82/847959882.db2.gz CEMXKYZUMQQGTE-UHFFFAOYSA-N 0 0 410.521 4.230 20 5 HIBDRN Cc1c(C(=O)Nc2ccccc2Cc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000031874801 847960465 /nfs/dbraw/zinc/96/04/65/847960465.db2.gz QDPHNLHVARXTPK-UHFFFAOYSA-N 0 0 413.437 4.327 20 5 HIBDRN COc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cs2)cc1OC ZINC000031930725 847966890 /nfs/dbraw/zinc/96/68/90/847966890.db2.gz PDLKXNUYTRWBOA-UHFFFAOYSA-N 0 0 413.455 4.008 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1[N+](=O)[O-] ZINC000031993980 847977042 /nfs/dbraw/zinc/97/70/42/847977042.db2.gz KOHLBNGIVCDANJ-UHFFFAOYSA-N 0 0 400.435 4.465 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000032165144 847989963 /nfs/dbraw/zinc/98/99/63/847989963.db2.gz CPTOCOIHXKSFKK-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN O=C(NCc1cccc(Oc2ccccc2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000032362441 848012626 /nfs/dbraw/zinc/01/26/26/848012626.db2.gz XFHNNSMDHOEPDH-UHFFFAOYSA-N 0 0 406.394 4.088 20 5 HIBDRN Cc1sc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000032413738 848021473 /nfs/dbraw/zinc/02/14/73/848021473.db2.gz BFOATQZEAUHSBH-UHFFFAOYSA-N 0 0 421.276 4.224 20 5 HIBDRN O=C(c1cccc(OCc2cccs2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000032680193 848062836 /nfs/dbraw/zinc/06/28/36/848062836.db2.gz VGLQZDULSFEENC-UHFFFAOYSA-N 0 0 423.494 4.198 20 5 HIBDRN Cc1cccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000032890029 848090351 /nfs/dbraw/zinc/09/03/51/848090351.db2.gz MLGOFUSVIJMRPP-CYBMUJFWSA-N 0 0 400.435 4.347 20 5 HIBDRN O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000032970767 848097359 /nfs/dbraw/zinc/09/73/59/848097359.db2.gz IALGNKRRXRZZBQ-UHFFFAOYSA-N 0 0 402.454 4.388 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000032981988 848098163 /nfs/dbraw/zinc/09/81/63/848098163.db2.gz KSQLETPNPNXIAQ-GOSISDBHSA-N 0 0 419.466 4.368 20 5 HIBDRN CCOC(=O)COc1cccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000033189549 848122602 /nfs/dbraw/zinc/12/26/02/848122602.db2.gz DFJPJPRUHOKHGU-UHFFFAOYSA-N 0 0 400.431 4.087 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1[N+](=O)[O-] ZINC000033215294 848126280 /nfs/dbraw/zinc/12/62/80/848126280.db2.gz BJIQTVIRQWOCMX-UHFFFAOYSA-N 0 0 413.455 4.494 20 5 HIBDRN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000033228719 848129744 /nfs/dbraw/zinc/12/97/44/848129744.db2.gz SBVKCEZCHQKJDA-UHFFFAOYSA-N 0 0 406.398 4.074 20 5 HIBDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c12 ZINC000036644612 848152005 /nfs/dbraw/zinc/15/20/05/848152005.db2.gz LRGVSPOZHHJSSY-UHFFFAOYSA-N 0 0 405.389 4.243 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c([N+](=O)[O-])cc1OC ZINC000036739857 848159612 /nfs/dbraw/zinc/15/96/12/848159612.db2.gz OZEZAGDSXJOMRB-UHFFFAOYSA-N 0 0 418.409 4.408 20 5 HIBDRN COc1ccc(CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1[N+](=O)[O-] ZINC000042107886 848287134 /nfs/dbraw/zinc/28/71/34/848287134.db2.gz KMYPJJDKFLZYKL-UHFFFAOYSA-N 0 0 403.485 4.073 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000042132514 848291079 /nfs/dbraw/zinc/29/10/79/848291079.db2.gz OSXSQVIVLVVSQU-CVEARBPZSA-N 0 0 408.458 4.251 20 5 HIBDRN Cc1c(CSc2nc3ccccc3c(=O)n2-c2cccnc2)cccc1[N+](=O)[O-] ZINC000042152525 848294340 /nfs/dbraw/zinc/29/43/40/848294340.db2.gz QPYZXFZZCSWNSG-UHFFFAOYSA-N 0 0 404.451 4.290 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2ccccc2c2cccnc12 ZINC000042231843 848306309 /nfs/dbraw/zinc/30/63/09/848306309.db2.gz HNDPYESDRZCKKB-UHFFFAOYSA-N 0 0 413.477 4.497 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccco1)Cc1ccccc1 ZINC000042348010 848320330 /nfs/dbraw/zinc/32/03/30/848320330.db2.gz DMOJRTNDEHPQFM-UHFFFAOYSA-N 0 0 402.410 4.216 20 5 HIBDRN C[C@H](Sc1nnc(C(C)(C)C)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000042569829 848329549 /nfs/dbraw/zinc/32/95/49/848329549.db2.gz KQJSSVOXTYOKFH-QMMMGPOBSA-N 0 0 418.397 4.413 20 5 HIBDRN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000042697613 848345048 /nfs/dbraw/zinc/34/50/48/848345048.db2.gz RHKLRYFMZVRCOY-UHFFFAOYSA-N 0 0 410.455 4.090 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000042759856 848352878 /nfs/dbraw/zinc/35/28/78/848352878.db2.gz BMVKOBYNITUSJT-UHFFFAOYSA-N 0 0 415.833 4.418 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H]1c1ccncc1 ZINC000042797080 848355298 /nfs/dbraw/zinc/35/52/98/848355298.db2.gz WBYMMYGEHVCAJH-MRXNPFEDSA-N 0 0 408.380 4.174 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(Br)ccc1F ZINC000042918422 848365439 /nfs/dbraw/zinc/36/54/39/848365439.db2.gz KWVAYXBKHDHBAJ-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1csc(Cc2ccccc2)n1 ZINC000042918030 848365823 /nfs/dbraw/zinc/36/58/23/848365823.db2.gz NKYFCPMBYPVGAI-UHFFFAOYSA-N 0 0 405.382 4.496 20 5 HIBDRN O=C(CCc1ncc(-c2ccccc2)o1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918187 848365966 /nfs/dbraw/zinc/36/59/66/848365966.db2.gz AFEKQVFDHYHXGR-UHFFFAOYSA-N 0 0 403.341 4.423 20 5 HIBDRN COc1ccc(C(=O)NCc2cccc(COCc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000043092425 848382972 /nfs/dbraw/zinc/38/29/72/848382972.db2.gz KFRAQCFQIHIODR-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000043149079 848391144 /nfs/dbraw/zinc/39/11/44/848391144.db2.gz VSVHEQNCUKGSAT-UHFFFAOYSA-N 0 0 418.453 4.046 20 5 HIBDRN COc1cc(CCNC(=O)Nc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC ZINC000043264131 848401207 /nfs/dbraw/zinc/40/12/07/848401207.db2.gz OZMOOFOYLWAVBP-UHFFFAOYSA-N 0 0 414.245 4.283 20 5 HIBDRN Cc1cc(NC2CCN(C(=O)c3ccccc3O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000436714773 861902866 /nfs/dbraw/zinc/90/28/66/861902866.db2.gz VBJSWRTVIVUFRA-UHFFFAOYSA-N 0 0 423.391 4.344 20 5 HIBDRN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1-c1ccc(Br)cc1 ZINC000043583392 848441016 /nfs/dbraw/zinc/44/10/16/848441016.db2.gz PWWQJBNHNIDERQ-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000043758975 848460589 /nfs/dbraw/zinc/46/05/89/848460589.db2.gz YFXLZAHAGJGLMF-UHFFFAOYSA-N 0 0 417.469 4.264 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000043926911 848490469 /nfs/dbraw/zinc/49/04/69/848490469.db2.gz YXGAZNKMZFHMRN-UHFFFAOYSA-N 0 0 406.394 4.066 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(CCC4CCCC4)[nH]3)o2)cc1 ZINC000044128300 848518339 /nfs/dbraw/zinc/51/83/39/848518339.db2.gz RAVXZAAIZXIZIZ-UHFFFAOYSA-N 0 0 400.464 4.178 20 5 HIBDRN Cc1c(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000044333054 848546737 /nfs/dbraw/zinc/54/67/37/848546737.db2.gz PRTPUHPBVDAIKH-UHFFFAOYSA-N 0 0 410.451 4.129 20 5 HIBDRN CCCOc1ccc([C@@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000044738865 848596241 /nfs/dbraw/zinc/59/62/41/848596241.db2.gz LCRUBORTQKEOHO-CQSZACIVSA-N 0 0 404.488 4.362 20 5 HIBDRN Cc1c(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cccc1[N+](=O)[O-] ZINC000045354904 848669890 /nfs/dbraw/zinc/66/98/90/848669890.db2.gz SUJRYLCFAGGMJI-UHFFFAOYSA-N 0 0 423.400 4.312 20 5 HIBDRN CCN(CCc1ccccc1)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000045466111 848682638 /nfs/dbraw/zinc/68/26/38/848682638.db2.gz ACJMSVBVRHBZAJ-UHFFFAOYSA-N 0 0 406.486 4.161 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(CC)[C@H](C)c2cccc(OC)c2)cc([N+](=O)[O-])c1 ZINC000045507898 848686605 /nfs/dbraw/zinc/68/66/05/848686605.db2.gz KSLCHOFNEDBDGY-CQSZACIVSA-N 0 0 400.431 4.003 20 5 HIBDRN O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000045570934 848692572 /nfs/dbraw/zinc/69/25/72/848692572.db2.gz FSQKMOTUDLFLHA-UHFFFAOYSA-N 0 0 411.458 4.425 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000045714904 848716104 /nfs/dbraw/zinc/71/61/04/848716104.db2.gz FHBUNHIISUDZMJ-LJQANCHMSA-N 0 0 400.481 4.271 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2)cs1 ZINC000045766962 848724960 /nfs/dbraw/zinc/72/49/60/848724960.db2.gz URFBZYUDJRKRPA-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000045931562 848752828 /nfs/dbraw/zinc/75/28/28/848752828.db2.gz MZSVJNKPLJWBTI-UHFFFAOYSA-N 0 0 415.446 4.013 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000045937794 848755167 /nfs/dbraw/zinc/75/51/67/848755167.db2.gz VXFWTJBFVXISSB-UHFFFAOYSA-N 0 0 415.393 4.072 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000045938099 848755329 /nfs/dbraw/zinc/75/53/29/848755329.db2.gz LOPHPYBHXWVWLR-UHFFFAOYSA-N 0 0 409.364 4.011 20 5 HIBDRN CCOc1cc(C(=O)NCCc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC ZINC000046205599 848802410 /nfs/dbraw/zinc/80/24/10/848802410.db2.gz RJZVAEFXFKNMAB-UHFFFAOYSA-N 0 0 413.257 4.281 20 5 HIBDRN CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)c1cccc(OC)c1 ZINC000046213015 848804825 /nfs/dbraw/zinc/80/48/25/848804825.db2.gz UKILQIQDGNFIFN-OAHLLOKOSA-N 0 0 418.515 4.455 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000046308514 848820483 /nfs/dbraw/zinc/82/04/83/848820483.db2.gz RDAHSNLYMTWFPD-UHFFFAOYSA-N 0 0 410.405 4.040 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000046357845 848831618 /nfs/dbraw/zinc/83/16/18/848831618.db2.gz DDPDWAWCEGWDEI-UHFFFAOYSA-N 0 0 404.348 4.295 20 5 HIBDRN CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1OC(F)F ZINC000046609808 848885446 /nfs/dbraw/zinc/88/54/46/848885446.db2.gz RIJSWRFEYYNODM-UHFFFAOYSA-N 0 0 400.765 4.178 20 5 HIBDRN CCC(=O)Nc1ccc(C)c(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000046679668 848908720 /nfs/dbraw/zinc/90/87/20/848908720.db2.gz UWFAZEBFQAQJLL-UHFFFAOYSA-N 0 0 417.487 4.132 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(COCCOc2ccccc2)c1 ZINC000046689748 848911352 /nfs/dbraw/zinc/91/13/52/848911352.db2.gz JNOIWCKZWPQIDG-UHFFFAOYSA-N 0 0 406.438 4.372 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000046791545 848935423 /nfs/dbraw/zinc/93/54/23/848935423.db2.gz XIDHOHJCOHPPSM-ZDUSSCGKSA-N 0 0 405.401 4.287 20 5 HIBDRN O=c1c2ccccc2nc(SCc2csc([N+](=O)[O-])c2)n1Cc1cccnc1 ZINC000047172155 848997317 /nfs/dbraw/zinc/99/73/17/848997317.db2.gz BCNROTZZIBGDHE-UHFFFAOYSA-N 0 0 410.480 4.102 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000047729263 849100323 /nfs/dbraw/zinc/10/03/23/849100323.db2.gz QJSLRPZQVQSEFX-LLVKDONJSA-N 0 0 402.838 4.023 20 5 HIBDRN C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745578 849103051 /nfs/dbraw/zinc/10/30/51/849103051.db2.gz PLIZBJCYYYZQSE-CQSZACIVSA-N 0 0 401.417 4.223 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 ZINC000047797270 849114659 /nfs/dbraw/zinc/11/46/59/849114659.db2.gz IWNIWTPIWSBHQQ-LBPRGKRZSA-N 0 0 412.364 4.426 20 5 HIBDRN O=C(NCc1cc(-c2ccccc2)no1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866162 849130468 /nfs/dbraw/zinc/13/04/68/849130468.db2.gz WAIVFTXXYUNJQS-UHFFFAOYSA-N 0 0 404.329 4.173 20 5 HIBDRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000048103115 849167449 /nfs/dbraw/zinc/16/74/49/849167449.db2.gz YHHCDKBQYFTVDS-MRXNPFEDSA-N 0 0 410.474 4.273 20 5 HIBDRN CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000048215666 849192162 /nfs/dbraw/zinc/19/21/62/849192162.db2.gz KITWLNNYLHTKBH-UHFFFAOYSA-N 0 0 415.515 4.325 20 5 HIBDRN Cc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000048297068 849204841 /nfs/dbraw/zinc/20/48/41/849204841.db2.gz DKAAIGGAYGLTON-HXUWFJFHSA-N 0 0 416.437 4.199 20 5 HIBDRN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000048371172 849212968 /nfs/dbraw/zinc/21/29/68/849212968.db2.gz GCIDMEKLWSBETH-UHFFFAOYSA-N 0 0 404.426 4.477 20 5 HIBDRN CCn1c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nc2ccccc21 ZINC000049604280 849313520 /nfs/dbraw/zinc/31/35/20/849313520.db2.gz AJPFZRPJBMRXLM-UHFFFAOYSA-N 0 0 408.336 4.158 20 5 HIBDRN CC(C)n1ncc2cc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cnc21 ZINC000050296248 849369763 /nfs/dbraw/zinc/36/97/63/849369763.db2.gz VARIRTMQBBYDLZ-UHFFFAOYSA-N 0 0 408.443 4.296 20 5 HIBDRN COCCOc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 ZINC000050333785 849373778 /nfs/dbraw/zinc/37/37/78/849373778.db2.gz DXVSNNVGGXZDFT-UHFFFAOYSA-N 0 0 413.455 4.304 20 5 HIBDRN COCCCOc1ccccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050340084 849374741 /nfs/dbraw/zinc/37/47/41/849374741.db2.gz BUYRVXXAYGBPOW-UHFFFAOYSA-N 0 0 413.455 4.386 20 5 HIBDRN O=C(NCc1cscn1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000050408794 849380834 /nfs/dbraw/zinc/38/08/34/849380834.db2.gz WGEMPMZBFQBIFC-UHFFFAOYSA-N 0 0 402.863 4.247 20 5 HIBDRN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000050633516 849401129 /nfs/dbraw/zinc/40/11/29/849401129.db2.gz SBKXUNNVFBBXJG-MRXNPFEDSA-N 0 0 404.850 4.078 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCc1cscn1)c1ccccc1 ZINC000051164847 849438549 /nfs/dbraw/zinc/43/85/49/849438549.db2.gz IHQUXSRZSMKYFW-QGZVFWFLSA-N 0 0 402.863 4.174 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000052237794 849562348 /nfs/dbraw/zinc/56/23/48/849562348.db2.gz PQOBLHBKKWOCSJ-INIZCTEOSA-N 0 0 409.533 4.028 20 5 HIBDRN COc1ccc(CNc2nnc(Sc3ccc(C(C)=O)cc3[N+](=O)[O-])s2)cc1 ZINC000052720493 849618395 /nfs/dbraw/zinc/61/83/95/849618395.db2.gz XFLJRCJDJYVGGQ-UHFFFAOYSA-N 0 0 416.484 4.421 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@H](C)c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000052769803 849624466 /nfs/dbraw/zinc/62/44/66/849624466.db2.gz AWLABTZWVDQFEW-CQSZACIVSA-N 0 0 413.503 4.267 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000052900100 849640768 /nfs/dbraw/zinc/64/07/68/849640768.db2.gz DLAVKLKHQKWKHH-AWEZNQCLSA-N 0 0 407.392 4.133 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 ZINC000052916221 849643782 /nfs/dbraw/zinc/64/37/82/849643782.db2.gz CUVXVLKJKHMTRV-AWEZNQCLSA-N 0 0 419.441 4.374 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052979294 849651817 /nfs/dbraw/zinc/65/18/17/849651817.db2.gz JOGCBZCESBCAHQ-CYBMUJFWSA-N 0 0 407.386 4.323 20 5 HIBDRN C[C@H](c1ccccc1F)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000053124652 849669695 /nfs/dbraw/zinc/66/96/95/849669695.db2.gz GTNPVOOZBSTPJW-LLVKDONJSA-N 0 0 410.243 4.128 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N(Cc2ccccn2)C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053128953 849669925 /nfs/dbraw/zinc/66/99/25/849669925.db2.gz BFTNOOMZVLTAPE-INIZCTEOSA-N 0 0 417.469 4.363 20 5 HIBDRN CN(Cc1cc(Br)cs1)C(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053487880 849721332 /nfs/dbraw/zinc/72/13/32/849721332.db2.gz CGVNAZKCMWWADT-UHFFFAOYSA-N 0 0 419.684 4.110 20 5 HIBDRN Cn1cc(C(=O)NCCc2cccc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053501350 849722331 /nfs/dbraw/zinc/72/23/31/849722331.db2.gz QFGIWERGTNCGAA-UHFFFAOYSA-N 0 0 400.438 4.121 20 5 HIBDRN CNC(=O)c1ccc(NCc2ccc(-c3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 ZINC000053554866 849731248 /nfs/dbraw/zinc/73/12/48/849731248.db2.gz JQSIPYFLEXNLHI-UHFFFAOYSA-N 0 0 408.439 4.436 20 5 HIBDRN CC(C)c1nnc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 ZINC000053796753 849759229 /nfs/dbraw/zinc/75/92/29/849759229.db2.gz YCIMGXJYRZKLMW-GFCCVEGCSA-N 0 0 412.475 4.390 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000053988251 849788104 /nfs/dbraw/zinc/78/81/04/849788104.db2.gz LGENHAYQRKQYAG-UHFFFAOYSA-N 0 0 415.833 4.174 20 5 HIBDRN CC(C)c1nccn1Cc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000054011668 849798056 /nfs/dbraw/zinc/79/80/56/849798056.db2.gz SFSAKJFQEMYFBG-UHFFFAOYSA-N 0 0 404.430 4.092 20 5 HIBDRN NC(=O)c1ccc(CSc2nc(-c3ccco3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000054251112 849832294 /nfs/dbraw/zinc/83/22/94/849832294.db2.gz MEUFELWMWMWZFG-UHFFFAOYSA-N 0 0 406.423 4.189 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000054591322 849892341 /nfs/dbraw/zinc/89/23/41/849892341.db2.gz GMOBQMGEUWGMSC-HNNXBMFYSA-N 0 0 413.499 4.340 20 5 HIBDRN O=C(Cc1ccccc1)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)ccc1F ZINC000055446514 850026625 /nfs/dbraw/zinc/02/66/25/850026625.db2.gz AMXQSPHTGSPWGC-UHFFFAOYSA-N 0 0 411.364 4.307 20 5 HIBDRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000055453146 850027177 /nfs/dbraw/zinc/02/71/77/850027177.db2.gz VCLHCSDHRKQAHT-UHFFFAOYSA-N 0 0 414.405 4.153 20 5 HIBDRN C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000055464393 850031872 /nfs/dbraw/zinc/03/18/72/850031872.db2.gz RMOWAOXASZSZMB-NSHDSACASA-N 0 0 418.862 4.268 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000055467413 850032952 /nfs/dbraw/zinc/03/29/52/850032952.db2.gz HZBJQJHJAKRGKR-CQSZACIVSA-N 0 0 409.467 4.077 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H]1CCc1ccccc1 ZINC000055484964 850038067 /nfs/dbraw/zinc/03/80/67/850038067.db2.gz 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CUCSMAUMLWQSOW-UHFFFAOYSA-N 0 0 400.435 4.075 20 5 HIBDRN CC[C@@H](C)CN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000303457071 854957750 /nfs/dbraw/zinc/95/77/50/854957750.db2.gz KWQOZELPVXNMCB-CYBMUJFWSA-N 0 0 401.429 4.335 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303458788 854959382 /nfs/dbraw/zinc/95/93/82/854959382.db2.gz NKJNMWVZUIWVDL-UHFFFAOYSA-N 0 0 410.257 4.393 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)[C@@H]2CCCc3nc(C)sc32)cc1[N+](=O)[O-] ZINC000303469710 854967162 /nfs/dbraw/zinc/96/71/62/854967162.db2.gz IPEYVSCTBKLWEQ-OAHLLOKOSA-N 0 0 421.544 4.138 20 5 HIBDRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000303552629 855035506 /nfs/dbraw/zinc/03/55/06/855035506.db2.gz HHHZUMDLSGHSKZ-UHFFFAOYSA-N 0 0 423.803 4.017 20 5 HIBDRN CCCCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@@H](CC)c1ccccc1 ZINC000303628949 855086982 /nfs/dbraw/zinc/08/69/82/855086982.db2.gz YGGBSSCFOVOLJB-SFHVURJKSA-N 0 0 418.515 4.392 20 5 HIBDRN Cc1cccc(-c2ccc(CNC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000303673878 855124541 /nfs/dbraw/zinc/12/45/41/855124541.db2.gz HELQEOFHUWYPSH-KRWDZBQOSA-N 0 0 417.465 4.005 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N(CC(F)(F)F)c1ccc(Br)cc1 ZINC000303703165 855142112 /nfs/dbraw/zinc/14/21/12/855142112.db2.gz OJGQOVUMJGXCCQ-UHFFFAOYSA-N 0 0 417.181 4.495 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437361182 862646737 /nfs/dbraw/zinc/64/67/37/862646737.db2.gz BQERYWBXSODVCT-UHFFFAOYSA-N 0 0 407.348 4.102 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000303734895 855160217 /nfs/dbraw/zinc/16/02/17/855160217.db2.gz GDCIGMYGCVEMCA-MOPGFXCFSA-N 0 0 414.527 4.364 20 5 HIBDRN Cc1c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(Cl)c1 ZINC000303746104 855168399 /nfs/dbraw/zinc/16/83/99/855168399.db2.gz AOEDPUNWCAREDW-UHFFFAOYSA-N 0 0 412.877 4.495 20 5 HIBDRN O=C(Nc1ccc(COC2CCCC2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000303754680 855175375 /nfs/dbraw/zinc/17/53/75/855175375.db2.gz CQOQKCDSISAJMV-UHFFFAOYSA-N 0 0 406.442 4.492 20 5 HIBDRN Cc1cc(C)n(-c2ccc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2F)n1 ZINC000303805190 855209719 /nfs/dbraw/zinc/20/97/19/855209719.db2.gz MLCXUONFCUFJBO-UHFFFAOYSA-N 0 0 410.449 4.289 20 5 HIBDRN O=C(NCC1(O)CCCCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000303860042 855255619 /nfs/dbraw/zinc/25/56/19/855255619.db2.gz TVDDDSAZCYUVJZ-UHFFFAOYSA-N 0 0 404.850 4.466 20 5 HIBDRN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000303893575 855274689 /nfs/dbraw/zinc/27/46/89/855274689.db2.gz ZUPZPHKHSUGDSX-QGZVFWFLSA-N 0 0 411.439 4.138 20 5 HIBDRN O=C1[C@@H](Sc2nnc(-c3ccc(Cl)s3)o2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303926592 855296133 /nfs/dbraw/zinc/29/61/33/855296133.db2.gz UQXJFOMNJIMKEP-LBPRGKRZSA-N 0 0 422.875 4.257 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000304004665 855339718 /nfs/dbraw/zinc/33/97/18/855339718.db2.gz KPRIFHVKOFMYIS-AWEZNQCLSA-N 0 0 418.563 4.444 20 5 HIBDRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000320313270 855388657 /nfs/dbraw/zinc/38/86/57/855388657.db2.gz CXRDWSQKUTWMRQ-VIFPVBQESA-N 0 0 419.684 4.050 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1I ZINC000320338363 855388738 /nfs/dbraw/zinc/38/87/38/855388738.db2.gz JEHIMBGFUOOWDN-UHFFFAOYSA-N 0 0 414.174 4.153 20 5 HIBDRN COc1ccc(C(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1Cl ZINC000322945843 855393312 /nfs/dbraw/zinc/39/33/12/855393312.db2.gz RQADRJJUWQECQK-UHFFFAOYSA-N 0 0 400.612 4.281 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)ccc1Br ZINC000325620889 855404715 /nfs/dbraw/zinc/40/47/15/855404715.db2.gz JGVBXKJPJNBLBM-UHFFFAOYSA-N 0 0 403.154 4.306 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(I)ccc1Cl ZINC000385917126 855442014 /nfs/dbraw/zinc/44/20/14/855442014.db2.gz JEZNRHRSJJEVJW-UHFFFAOYSA-N 0 0 416.602 4.034 20 5 HIBDRN Cc1ccc(-n2nc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c3c2CCCC3)cc1 ZINC000409497313 855509485 /nfs/dbraw/zinc/50/94/85/855509485.db2.gz BUJFRSBCPDMPKP-INIZCTEOSA-N 0 0 404.470 4.459 20 5 HIBDRN Cc1csc(-c2cccc(S(=O)(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000409518157 855520308 /nfs/dbraw/zinc/52/03/08/855520308.db2.gz KSFBEIGILBTWAW-UHFFFAOYSA-N 0 0 417.512 4.240 20 5 HIBDRN COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)o2)cc1 ZINC000409528989 855525818 /nfs/dbraw/zinc/52/58/18/855525818.db2.gz MSRIWEGJZTWZBW-UHFFFAOYSA-N 0 0 414.443 4.001 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(NCc3ncnn3C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000409532747 855527696 /nfs/dbraw/zinc/52/76/96/855527696.db2.gz COTIGWVLRCVAEJ-UHFFFAOYSA-N 0 0 408.462 4.114 20 5 HIBDRN CN(Cc1ccc(Cl)c(F)c1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000409536746 855530435 /nfs/dbraw/zinc/53/04/35/855530435.db2.gz RFXBQLKSAPCEQA-UHFFFAOYSA-N 0 0 407.648 4.484 20 5 HIBDRN COc1ccc(F)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1OC ZINC000409540102 855532029 /nfs/dbraw/zinc/53/20/29/855532029.db2.gz YDAIVPYPGPBDBE-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000409586342 855553844 /nfs/dbraw/zinc/55/38/44/855553844.db2.gz QQAKZQDKGUEHLY-QGZVFWFLSA-N 0 0 420.263 4.271 20 5 HIBDRN C[C@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000409696322 855606759 /nfs/dbraw/zinc/60/67/59/855606759.db2.gz HCDQTLUDPQYQTF-MEDUHNTESA-N 0 0 420.263 4.241 20 5 HIBDRN C[C@@H]1CN(c2ccccc2NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000437384757 862701386 /nfs/dbraw/zinc/70/13/86/862701386.db2.gz MBMGGGDSWMNRTG-IAGOWNOFSA-N 0 0 424.501 4.405 20 5 HIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409804112 855661863 /nfs/dbraw/zinc/66/18/63/855661863.db2.gz FTTLHKOGYNOTHM-KUHUBIRLSA-N 0 0 415.808 4.652 20 5 HIBDRN Cc1ccccc1Cc1nc(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000409838171 855680144 /nfs/dbraw/zinc/68/01/44/855680144.db2.gz VARVUPOSKULWJR-UHFFFAOYSA-N 0 0 412.471 4.139 20 5 HIBDRN Cn1c2ccc(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc2nc1C(F)F ZINC000409912371 855719612 /nfs/dbraw/zinc/71/96/12/855719612.db2.gz OXNNLIKUXUMXOT-UHFFFAOYSA-N 0 0 408.792 4.045 20 5 HIBDRN COc1ccc(-c2nc(C)c(C(=O)NCCc3cccc([N+](=O)[O-])c3)s2)c(F)c1 ZINC000409988962 855764543 /nfs/dbraw/zinc/76/45/43/855764543.db2.gz SIBNYSCUPUIGHW-UHFFFAOYSA-N 0 0 415.446 4.147 20 5 HIBDRN COc1cc(OCC(=O)NC(C)(C)c2ccc(OCC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000410035581 855789480 /nfs/dbraw/zinc/78/94/80/855789480.db2.gz DASUQYCZMJGWCG-UHFFFAOYSA-N 0 0 416.474 4.069 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)ccc1[N+](=O)[O-] ZINC000410041192 855793426 /nfs/dbraw/zinc/79/34/26/855793426.db2.gz AOCJXNSISLJQQU-HSZRJFAPSA-N 0 0 418.449 4.448 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000410052252 855801307 /nfs/dbraw/zinc/80/13/07/855801307.db2.gz IRNJVWXLQGZLKX-CYBMUJFWSA-N 0 0 403.870 4.193 20 5 HIBDRN CC(C)(C)OC(=O)CCCCCNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000410060742 855804984 /nfs/dbraw/zinc/80/49/84/855804984.db2.gz BOOGKSOHKMFCNG-UHFFFAOYSA-N 0 0 421.313 4.051 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 ZINC000410153608 855841078 /nfs/dbraw/zinc/84/10/78/855841078.db2.gz GEPCTSMGZNTCHW-UHFFFAOYSA-N 0 0 420.878 4.142 20 5 HIBDRN CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC000410178532 855852096 /nfs/dbraw/zinc/85/20/96/855852096.db2.gz IRBGCIMPAIHRLQ-AWEZNQCLSA-N 0 0 400.431 4.286 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(N2CCc3ccccc32)CC1 ZINC000410279574 855898412 /nfs/dbraw/zinc/89/84/12/855898412.db2.gz PRDAAKHWQKWHHR-LJQANCHMSA-N 0 0 407.514 4.217 20 5 HIBDRN CSc1ccc(C(=O)NCc2ccnc(N3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000410314959 855924044 /nfs/dbraw/zinc/92/40/44/855924044.db2.gz PVVGIMYKBHMBOH-UHFFFAOYSA-N 0 0 400.504 4.022 20 5 HIBDRN Cc1csc(-c2cccc(S(=O)(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)c2)n1 ZINC000410330776 855932456 /nfs/dbraw/zinc/93/24/56/855932456.db2.gz ZYGHGJHYHINGOW-UHFFFAOYSA-N 0 0 403.485 4.444 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000410395359 855972132 /nfs/dbraw/zinc/97/21/32/855972132.db2.gz OFDPIPUDLLDUFV-UHFFFAOYSA-N 0 0 404.728 4.207 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2F)c2ncccc21 ZINC000410420451 855988021 /nfs/dbraw/zinc/98/80/21/855988021.db2.gz GAVPYFRCWSUIPL-UHFFFAOYSA-N 0 0 416.217 4.390 20 5 HIBDRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000410424529 855991530 /nfs/dbraw/zinc/99/15/30/855991530.db2.gz GJCXYVDFBCSCOR-AWEZNQCLSA-N 0 0 422.528 4.206 20 5 HIBDRN Cc1c(NC(=O)c2cc3ccccc3c3cccnc23)cccc1N1C(=O)N[C@H](C)C1=O ZINC000425932618 856006560 /nfs/dbraw/zinc/00/65/60/856006560.db2.gz VSUAXJDIKAZUGZ-OAHLLOKOSA-N 0 0 424.460 4.393 20 5 HIBDRN O=C(Nc1ccc(-c2ncon2)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000425940663 856011472 /nfs/dbraw/zinc/01/14/72/856011472.db2.gz BUICDICSOSIRGC-UHFFFAOYSA-N 0 0 416.393 4.476 20 5 HIBDRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1 ZINC000426010383 856044956 /nfs/dbraw/zinc/04/49/56/856044956.db2.gz LQMJSPGWFGGWBK-FMEYXAORSA-N 0 0 417.897 4.189 20 5 HIBDRN CC(C)(C)NC(=O)c1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000437402871 862750752 /nfs/dbraw/zinc/75/07/52/862750752.db2.gz IGGRJRRSXRSSFW-UHFFFAOYSA-N 0 0 410.474 4.320 20 5 HIBDRN O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000426044852 856069059 /nfs/dbraw/zinc/06/90/59/856069059.db2.gz UHAVCESXBKOAKB-AWEZNQCLSA-N 0 0 407.879 4.291 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000426141545 856135509 /nfs/dbraw/zinc/13/55/09/856135509.db2.gz SSUSYWDNOJSXDO-QHCPKHFHSA-N 0 0 414.477 4.099 20 5 HIBDRN CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000426217912 856183041 /nfs/dbraw/zinc/18/30/41/856183041.db2.gz BVZDDTVKTFJTCC-WIYYLYMNSA-N 0 0 411.506 4.098 20 5 HIBDRN CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C12CCC2 ZINC000426265050 856210297 /nfs/dbraw/zinc/21/02/97/856210297.db2.gz SRTDNMRKDXRDDE-HZPDHXFCSA-N 0 0 415.412 4.103 20 5 HIBDRN CC(C)CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)c1ccc(Br)cc1 ZINC000426307563 856235955 /nfs/dbraw/zinc/23/59/55/856235955.db2.gz RZZHOOHRDHDZMP-UHFFFAOYSA-N 0 0 423.311 4.124 20 5 HIBDRN Cc1c(CNC(=O)NCc2nc(-c3ccccc3F)cs2)cccc1[N+](=O)[O-] ZINC000426401585 856275347 /nfs/dbraw/zinc/27/53/47/856275347.db2.gz AIRDNEZGKAXFID-UHFFFAOYSA-N 0 0 400.435 4.165 20 5 HIBDRN CC[C@]1(CO)CCCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000426462698 856303898 /nfs/dbraw/zinc/30/38/98/856303898.db2.gz RVMULIXCQXUCFP-GGAORHGYSA-N 0 0 411.502 4.068 20 5 HIBDRN Cc1nsc(C)c1-c1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000426592883 856363821 /nfs/dbraw/zinc/36/38/21/856363821.db2.gz IDIYUKHHSJVZET-UHFFFAOYSA-N 0 0 413.381 4.392 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CCSCc1cccc(OC(F)F)c1 ZINC000426606667 856370429 /nfs/dbraw/zinc/37/04/29/856370429.db2.gz ZZRRITVBXLBNCF-UHFFFAOYSA-N 0 0 412.414 4.467 20 5 HIBDRN CC[C@](C)(NC(=O)c1ccccc1)c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000426606188 856370499 /nfs/dbraw/zinc/37/04/99/856370499.db2.gz VAIONXWZAIGZQB-QFIPXVFZSA-N 0 0 408.458 4.359 20 5 HIBDRN O=C([O-])c1ccc(N2CCC([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)cc1 ZINC000426632702 856383667 /nfs/dbraw/zinc/38/36/67/856383667.db2.gz ZAMRSMXOCGFJMG-UHFFFAOYSA-N 0 0 421.453 4.312 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+]C[C@H](Cc3ccc(C)cc3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426640010 856387997 /nfs/dbraw/zinc/38/79/97/856387997.db2.gz PXFSICMEHOLMLS-KRWDZBQOSA-N 0 0 424.453 4.205 20 5 HIBDRN Cc1ccccc1C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000426639762 856388536 /nfs/dbraw/zinc/38/85/36/856388536.db2.gz OTHZCVTYSWCKES-KRWDZBQOSA-N 0 0 411.483 4.060 20 5 HIBDRN CC(C)(C(=O)NCc1csc(CCc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000426657048 856396995 /nfs/dbraw/zinc/39/69/95/856396995.db2.gz LFIBWFIZFPDHDG-UHFFFAOYSA-N 0 0 409.511 4.431 20 5 HIBDRN C[C@H](CCCC(=O)[O-])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426661635 856399647 /nfs/dbraw/zinc/39/96/47/856399647.db2.gz UYCBJMFYRNMRES-MRXNPFEDSA-N 0 0 408.458 4.181 20 5 HIBDRN O=C([O-])C1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000426675569 856407058 /nfs/dbraw/zinc/40/70/58/856407058.db2.gz UFDUIYLWXVTJDI-UHFFFAOYSA-N 0 0 420.469 4.181 20 5 HIBDRN CSCC[C@H]([NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426681887 856411196 /nfs/dbraw/zinc/41/11/96/856411196.db2.gz ZUORZCWGHFKPLT-INIZCTEOSA-N 0 0 406.529 4.350 20 5 HIBDRN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000426700385 856419480 /nfs/dbraw/zinc/41/94/80/856419480.db2.gz QLEJRTHSUOCZGP-LJQANCHMSA-N 0 0 410.401 4.312 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000426725685 856437122 /nfs/dbraw/zinc/43/71/22/856437122.db2.gz CZLLOBGJNSMBAJ-HXUWFJFHSA-N 0 0 423.400 4.261 20 5 HIBDRN CC(C)c1ccc(C[NH2+][C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000426727627 856438339 /nfs/dbraw/zinc/43/83/39/856438339.db2.gz PFPRFNQDBZQRSN-HXUWFJFHSA-N 0 0 408.458 4.210 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000426730622 856439413 /nfs/dbraw/zinc/43/94/13/856439413.db2.gz LTSMJAVBYQPOAJ-DEOSSOPVSA-N 0 0 415.449 4.267 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000426730625 856439621 /nfs/dbraw/zinc/43/96/21/856439621.db2.gz LTSMJAVBYQPOAJ-XMMPIXPASA-N 0 0 415.449 4.267 20 5 HIBDRN CC(C)(C)c1ccc(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])s1 ZINC000426745525 856450089 /nfs/dbraw/zinc/45/00/89/856450089.db2.gz HDCFZTJVQOCEHO-QGZVFWFLSA-N 0 0 401.488 4.221 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+][C@H](C(=O)[O-])C3(C)CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000426748061 856452756 /nfs/dbraw/zinc/45/27/56/856452756.db2.gz UNGMVHKECDIOLR-LJQANCHMSA-N 0 0 402.447 4.377 20 5 HIBDRN O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426762362 856463609 /nfs/dbraw/zinc/46/36/09/856463609.db2.gz JOYUYWFJWRHCMM-QGZVFWFLSA-N 0 0 418.808 4.433 20 5 HIBDRN COc1ccc(Oc2ccc(C[NH2+][C@@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)[O-])cc2)cc1 ZINC000426765042 856465106 /nfs/dbraw/zinc/46/51/06/856465106.db2.gz JTZBTCRRQHWRFO-QFIPXVFZSA-N 0 0 422.437 4.181 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3cccc(C)c3Cl)s2)n1 ZINC000426876898 856523280 /nfs/dbraw/zinc/52/32/80/856523280.db2.gz UUMDCBVCXXKLPY-UHFFFAOYSA-N 0 0 405.867 4.073 20 5 HIBDRN C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000426900271 856532674 /nfs/dbraw/zinc/53/26/74/856532674.db2.gz FNXCONIWGBNTIS-SECBINFHSA-N 0 0 402.398 4.366 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1nc(-c2ccccc2F)cs1 ZINC000426901817 856533753 /nfs/dbraw/zinc/53/37/53/856533753.db2.gz XNDISWDNBIWXOJ-UHFFFAOYSA-N 0 0 400.435 4.199 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccc(F)cc3NC3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000426908191 856537148 /nfs/dbraw/zinc/53/71/48/856537148.db2.gz DGWSRLKSNPZWFQ-UHFFFAOYSA-N 0 0 423.448 4.422 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(C(F)(F)F)c(OC)c2)c([N+](=O)[O-])cc1OC ZINC000426944013 856554605 /nfs/dbraw/zinc/55/46/05/856554605.db2.gz UARSYYDKADYPHQ-UHFFFAOYSA-N 0 0 414.336 4.282 20 5 HIBDRN COC1CCC(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000427066050 856617833 /nfs/dbraw/zinc/61/78/33/856617833.db2.gz XSYQNXBLCFFIPI-KLHKWILBSA-N 0 0 412.490 4.098 20 5 HIBDRN CC(C)(C)[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@H]1O ZINC000427079926 856624660 /nfs/dbraw/zinc/62/46/60/856624660.db2.gz ZWAVEENNLFCTSH-TZIWHRDSSA-N 0 0 412.486 4.043 20 5 HIBDRN CCc1c(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cnn1CCC(C)C ZINC000427106347 856640458 /nfs/dbraw/zinc/64/04/58/856640458.db2.gz FPCYHOUDWQRNLH-UHFFFAOYSA-N 0 0 410.478 4.146 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000427109719 856643796 /nfs/dbraw/zinc/64/37/96/856643796.db2.gz WCADURRFYGEMEE-AWEZNQCLSA-N 0 0 413.455 4.039 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000427112871 856645896 /nfs/dbraw/zinc/64/58/96/856645896.db2.gz DOSPQSREDWETFF-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)n1 ZINC000427120410 856650382 /nfs/dbraw/zinc/65/03/82/856650382.db2.gz BUVVKCKZKZYIMO-UHFFFAOYSA-N 0 0 423.401 4.097 20 5 HIBDRN CCOC(=O)c1c(C[C@H](C)CC)c(C)sc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427122003 856652112 /nfs/dbraw/zinc/65/21/12/856652112.db2.gz NSCZLDWAZRCCQB-LLVKDONJSA-N 0 0 422.507 4.199 20 5 HIBDRN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000427143994 856668124 /nfs/dbraw/zinc/66/81/24/856668124.db2.gz QLJAESHDGGYOEM-QUCCMNQESA-N 0 0 403.438 4.307 20 5 HIBDRN COc1cc(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000437458766 862822336 /nfs/dbraw/zinc/82/23/36/862822336.db2.gz KFYXTYRPSWZGNY-MQMHXKEQSA-N 0 0 424.375 4.307 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCOc2ccncc21 ZINC000427171727 856689490 /nfs/dbraw/zinc/68/94/90/856689490.db2.gz OGNFDRMSSZVFQJ-UHFFFAOYSA-N 0 0 424.844 4.295 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000437465446 862828114 /nfs/dbraw/zinc/82/81/14/862828114.db2.gz FXELWUMNWYIFRI-CTYIDZIISA-N 0 0 407.239 4.101 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC(C)(C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000427264937 856742925 /nfs/dbraw/zinc/74/29/25/856742925.db2.gz KDAQMESIUQFKGN-UHFFFAOYSA-N 0 0 402.472 4.041 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1 ZINC000427264596 856743353 /nfs/dbraw/zinc/74/33/53/856743353.db2.gz GVSLZVJQAMKHIQ-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2ccccc2O1 ZINC000427271027 856745363 /nfs/dbraw/zinc/74/53/63/856745363.db2.gz AKRYCJGSKFGYPS-UHFFFAOYSA-N 0 0 405.248 4.104 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2C)n1 ZINC000427282559 856750248 /nfs/dbraw/zinc/75/02/48/856750248.db2.gz TWHKGHLIFOHOGW-UHFFFAOYSA-N 0 0 416.441 4.225 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(CC34CC5CC(CC(C5)C3)C4)cs2)n1 ZINC000427315050 856766723 /nfs/dbraw/zinc/76/67/23/856766723.db2.gz SLRTYVJUPOBVJT-UHFFFAOYSA-N 0 0 415.519 4.279 20 5 HIBDRN CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000427371518 856798875 /nfs/dbraw/zinc/79/88/75/856798875.db2.gz CVRJCBIJUJJDJJ-UHFFFAOYSA-N 0 0 409.364 4.389 20 5 HIBDRN C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000427425023 856815275 /nfs/dbraw/zinc/81/52/75/856815275.db2.gz SOENJPPJJBTUIS-XYVMCAHJSA-N 0 0 401.507 4.116 20 5 HIBDRN CCc1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1CCC(C)C ZINC000427440355 856820846 /nfs/dbraw/zinc/82/08/46/856820846.db2.gz YGHOLRXNQBWGQG-UHFFFAOYSA-N 0 0 413.522 4.255 20 5 HIBDRN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427439338 856821018 /nfs/dbraw/zinc/82/10/18/856821018.db2.gz PSIVTILCHUVXLT-HXUWFJFHSA-N 0 0 421.844 4.381 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1NC(=O)Cc1cccs1 ZINC000427454564 856826871 /nfs/dbraw/zinc/82/68/71/856826871.db2.gz BGGUDJFUAXSDKR-UHFFFAOYSA-N 0 0 411.439 4.098 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)n1 ZINC000427454468 856827148 /nfs/dbraw/zinc/82/71/48/856827148.db2.gz AGARTLRNPXPVTG-KRWDZBQOSA-N 0 0 422.485 4.060 20 5 HIBDRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)o1 ZINC000437484387 862843137 /nfs/dbraw/zinc/84/31/37/862843137.db2.gz JFIQYNSTFUZCGN-UGSOOPFHSA-N 0 0 400.431 4.150 20 5 HIBDRN O=C(c1ccc(OCc2ccccc2)nc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437485908 862843595 /nfs/dbraw/zinc/84/35/95/862843595.db2.gz ZVIPUDRQOXASQB-UHFFFAOYSA-N 0 0 403.438 4.374 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000427547954 856859952 /nfs/dbraw/zinc/85/99/52/856859952.db2.gz BDVCHKDXGKOVEY-UTKZUKDTSA-N 0 0 413.499 4.123 20 5 HIBDRN CN(Cc1ccc(Br)c(F)c1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000427579744 856875619 /nfs/dbraw/zinc/87/56/19/856875619.db2.gz MBOCHIUSBKVPOU-UHFFFAOYSA-N 0 0 406.211 4.250 20 5 HIBDRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427591549 856880501 /nfs/dbraw/zinc/88/05/01/856880501.db2.gz LJKLUQJNJMYNLE-UHFFFAOYSA-N 0 0 424.432 4.298 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1c(Cl)cccc1Oc1ccccc1Cl ZINC000427598004 856883008 /nfs/dbraw/zinc/88/30/08/856883008.db2.gz AMWLCNVENFFZDJ-UHFFFAOYSA-N 0 0 421.240 4.320 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000427599680 856883979 /nfs/dbraw/zinc/88/39/79/856883979.db2.gz POKKTMZWDPMPKG-UHFFFAOYSA-N 0 0 421.240 4.320 20 5 HIBDRN O=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427604154 856885031 /nfs/dbraw/zinc/88/50/31/856885031.db2.gz NQLZJXHBGPFLLU-UHFFFAOYSA-N 0 0 419.437 4.352 20 5 HIBDRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)o1 ZINC000437490216 862847607 /nfs/dbraw/zinc/84/76/07/862847607.db2.gz LSXNBRHQCCVSQB-KUHUBIRLSA-N 0 0 423.473 4.253 20 5 HIBDRN CC(=O)N[C@@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000437489645 862847855 /nfs/dbraw/zinc/84/78/55/862847855.db2.gz INKZBQWIIAMNJQ-IBGZPJMESA-N 0 0 415.877 4.007 20 5 HIBDRN COCCN(Cc1ccc(Br)s1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000427722168 856922314 /nfs/dbraw/zinc/92/23/14/856922314.db2.gz KMNKRBRPQWIYBX-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN C[C@@H](CCCC(F)(F)F)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000427731964 856927491 /nfs/dbraw/zinc/92/74/91/856927491.db2.gz SIOPIXYLLRQHCL-VIFPVBQESA-N 0 0 402.291 4.387 20 5 HIBDRN COCCN(Cc1cc(Br)cs1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000427762662 856944054 /nfs/dbraw/zinc/94/40/54/856944054.db2.gz PYTCIAQUDKVQCN-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C)c(Br)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000427768340 856946156 /nfs/dbraw/zinc/94/61/56/856946156.db2.gz ZXCYQSLDWUGUDS-UHFFFAOYSA-N 0 0 409.236 4.244 20 5 HIBDRN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427780881 856951777 /nfs/dbraw/zinc/95/17/77/856951777.db2.gz OLQAZDHATYPZJN-IBGZPJMESA-N 0 0 421.453 4.066 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3[nH]c(-c4ccccc4)nc3c2)cc([N+](=O)[O-])c1OC ZINC000427805310 856963305 /nfs/dbraw/zinc/96/33/05/856963305.db2.gz ZGAQOHYWMPFJDO-UHFFFAOYSA-N 0 0 418.409 4.408 20 5 HIBDRN COc1ccc(Nc2ccccc2C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000427813354 856966324 /nfs/dbraw/zinc/96/63/24/856966324.db2.gz SFZDSPMEZRAKSY-UHFFFAOYSA-N 0 0 421.457 4.021 20 5 HIBDRN C[C@H]1[C@H](CO)CCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000427818447 856968262 /nfs/dbraw/zinc/96/82/62/856968262.db2.gz PCUMLYRTQCXQBH-STQMWFEESA-N 0 0 406.891 4.242 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000427848530 856979851 /nfs/dbraw/zinc/97/98/51/856979851.db2.gz COFIHTSGDYEHPF-UHFFFAOYSA-N 0 0 421.375 4.136 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000427846761 856980015 /nfs/dbraw/zinc/98/00/15/856980015.db2.gz SUCHUZYFJWIXMT-UHFFFAOYSA-N 0 0 423.391 4.293 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1csc2ccccc12 ZINC000427868069 856988526 /nfs/dbraw/zinc/98/85/26/856988526.db2.gz VVZWXHJVOUDGCY-UHFFFAOYSA-N 0 0 423.372 4.083 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000427894665 856997291 /nfs/dbraw/zinc/99/72/91/856997291.db2.gz JLCFBHMSYWOLNG-UHFFFAOYSA-N 0 0 423.759 4.415 20 5 HIBDRN COc1cc(C(=O)N(CC2CCC2)CC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000427922654 857008875 /nfs/dbraw/zinc/00/88/75/857008875.db2.gz LNFKOCXBRQDVOE-UHFFFAOYSA-N 0 0 412.311 4.009 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(SCc2cccs2)s1 ZINC000427957810 857022201 /nfs/dbraw/zinc/02/22/01/857022201.db2.gz HHVNJHXSYLPXQN-UHFFFAOYSA-N 0 0 408.486 4.061 20 5 HIBDRN Cc1cccc2c1OC[C@@H](NC(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)C2 ZINC000427980081 857031040 /nfs/dbraw/zinc/03/10/40/857031040.db2.gz RRIAWCNNWMELGH-HNNXBMFYSA-N 0 0 420.415 4.001 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N(Cc1ccc(F)cc1)CC1CC1 ZINC000428019016 857043609 /nfs/dbraw/zinc/04/36/09/857043609.db2.gz YHBHFTOWAMXOEO-UHFFFAOYSA-N 0 0 409.417 4.100 20 5 HIBDRN Cn1nc(-c2ccsc2)cc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000428074088 857063555 /nfs/dbraw/zinc/06/35/55/857063555.db2.gz MSEDHVLPZWSWBZ-UHFFFAOYSA-N 0 0 400.463 4.396 20 5 HIBDRN C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437527323 862867816 /nfs/dbraw/zinc/86/78/16/862867816.db2.gz KUGWJBOQXKICDA-IVZQSRNASA-N 0 0 423.469 4.131 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000428212456 857112393 /nfs/dbraw/zinc/11/23/93/857112393.db2.gz WUIPBOLLPGZFEG-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])c(CO)c2)c(C)n1CCc1cccs1 ZINC000428251367 857127270 /nfs/dbraw/zinc/12/72/70/857127270.db2.gz ZFRVAEAFSQBJNP-UHFFFAOYSA-N 0 0 414.483 4.071 20 5 HIBDRN CCc1ccc(-c2nc(Cn3cc([N+](=O)[O-])cc(Br)c3=O)cs2)cc1 ZINC000428329722 857156012 /nfs/dbraw/zinc/15/60/12/857156012.db2.gz MRUKZMKVSCHRTE-UHFFFAOYSA-N 0 0 420.288 4.253 20 5 HIBDRN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cc4ccccc4c4cccnc34)n2)c1 ZINC000428360301 857172176 /nfs/dbraw/zinc/17/21/76/857172176.db2.gz COIHTKMGRLDLHT-HNNXBMFYSA-N 0 0 408.465 4.368 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000428419074 857197733 /nfs/dbraw/zinc/19/77/33/857197733.db2.gz AOBQBOOXSGMGTH-LBPRGKRZSA-N 0 0 423.391 4.192 20 5 HIBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC[C@@H]2CCC[C@@H]21 ZINC000428516464 857235383 /nfs/dbraw/zinc/23/53/83/857235383.db2.gz MSESTLCBMKFXEM-BBRMVZONSA-N 0 0 411.424 4.231 20 5 HIBDRN CC[C@]1(CO)CCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000428527042 857240645 /nfs/dbraw/zinc/24/06/45/857240645.db2.gz AMTAVTKSCDIXIW-IBGZPJMESA-N 0 0 421.544 4.136 20 5 HIBDRN Cc1c2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cc2nn1C ZINC000428616618 857279539 /nfs/dbraw/zinc/27/95/39/857279539.db2.gz AUOYWKYCVZIUQL-UHFFFAOYSA-N 0 0 400.413 4.268 20 5 HIBDRN CS(=O)(=O)c1ccc(CNc2ccc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000428649103 857289086 /nfs/dbraw/zinc/28/90/86/857289086.db2.gz FBCUVSOBIULNBK-UHFFFAOYSA-N 0 0 419.684 4.026 20 5 HIBDRN Cc1nc(C)n(Cc2cccc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2)n1 ZINC000428770928 857328265 /nfs/dbraw/zinc/32/82/65/857328265.db2.gz HBCNZXNIURBLOI-UHFFFAOYSA-N 0 0 422.489 4.294 20 5 HIBDRN Cc1c(NC(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000437583164 862898295 /nfs/dbraw/zinc/89/82/95/862898295.db2.gz SCRWYLTUIZYODN-OAHLLOKOSA-N 0 0 402.882 4.467 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000428789892 857340630 /nfs/dbraw/zinc/34/06/30/857340630.db2.gz PRGKGLFENYIYRS-XIKOKIGWSA-N 0 0 420.391 4.452 20 5 HIBDRN O=C(N[C@H]1CCC[C@H]1CCO)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000428791118 857341357 /nfs/dbraw/zinc/34/13/57/857341357.db2.gz DKWHYICRZXIHAP-GUYCJALGSA-N 0 0 404.850 4.321 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000428821366 857360252 /nfs/dbraw/zinc/36/02/52/857360252.db2.gz UTBZWAJMWGTXRO-JTQLQIEISA-N 0 0 411.227 4.322 20 5 HIBDRN CC[C@@H](NC(=O)Nc1cccc(C(=O)N2CCCC2)c1C)c1cccc([N+](=O)[O-])c1 ZINC000429065818 857489832 /nfs/dbraw/zinc/48/98/32/857489832.db2.gz RZUKXRKEELMQTP-LJQANCHMSA-N 0 0 410.474 4.412 20 5 HIBDRN COc1cc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000429148752 857531405 /nfs/dbraw/zinc/53/14/05/857531405.db2.gz FBYNKUOWEKVATL-BTDLBPIBSA-N 0 0 414.430 4.058 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429171711 857540807 /nfs/dbraw/zinc/54/08/07/857540807.db2.gz OKDCMBSNUCWPFH-MRXNPFEDSA-N 0 0 421.906 4.062 20 5 HIBDRN O=C(CN1CCC(c2ncccc2Cl)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429221002 857560884 /nfs/dbraw/zinc/56/08/84/857560884.db2.gz ILOKXKQDVGSINE-UHFFFAOYSA-N 0 0 409.273 4.115 20 5 HIBDRN CC(C)(NCc1cc2c(cc1Br)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000429257255 857578540 /nfs/dbraw/zinc/57/85/40/857578540.db2.gz SHQIQECTXXRQLD-UHFFFAOYSA-N 0 0 407.264 4.153 20 5 HIBDRN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429364030 857622510 /nfs/dbraw/zinc/62/25/10/857622510.db2.gz LDVGQXFBTYGVRK-GOSISDBHSA-N 0 0 403.482 4.493 20 5 HIBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429364032 857622932 /nfs/dbraw/zinc/62/29/32/857622932.db2.gz LDVGQXFBTYGVRK-SFHVURJKSA-N 0 0 403.482 4.493 20 5 HIBDRN CCOC(=O)c1csc(C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000429568715 857754446 /nfs/dbraw/zinc/75/44/46/857754446.db2.gz QNPSMUHGJXHDEU-UHFFFAOYSA-N 0 0 409.895 4.261 20 5 HIBDRN Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1Br ZINC000437629296 862953095 /nfs/dbraw/zinc/95/30/95/862953095.db2.gz YKOBJBBKFAOELT-UHFFFAOYSA-N 0 0 415.190 4.448 20 5 HIBDRN CC(C)(CO)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000437632065 862956669 /nfs/dbraw/zinc/95/66/69/862956669.db2.gz UKCWPKVYIWJJOH-FQEVSTJZSA-N 0 0 411.502 4.071 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CNc1cc(Cl)ccc1N1CCC(CO)CC1 ZINC000429800135 857889802 /nfs/dbraw/zinc/88/98/02/857889802.db2.gz BLBWIPGDPNYHKF-UHFFFAOYSA-N 0 0 405.882 4.078 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)c3ccc(Br)cc3[N+](=O)[O-])o2)cs1 ZINC000429811158 857892618 /nfs/dbraw/zinc/89/26/18/857892618.db2.gz SVHNGAKOLWSRCE-UHFFFAOYSA-N 0 0 422.260 4.312 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429822040 857897522 /nfs/dbraw/zinc/89/75/22/857897522.db2.gz SQSJIFKJCSDUCY-IAGOWNOFSA-N 0 0 423.238 4.147 20 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/nfs/dbraw/zinc/01/10/61/858011061.db2.gz ZRCGKJWRFMELEI-UHFFFAOYSA-N 0 0 413.249 4.156 20 5 HIBDRN CS(=O)(=O)CC[C@@H]1CCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000430107299 858034339 /nfs/dbraw/zinc/03/43/39/858034339.db2.gz WNAZOOQSXDGZBU-HNNXBMFYSA-N 0 0 408.545 4.113 20 5 HIBDRN CC(C)(NC(=O)NCc1ccc(F)cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000430113056 858036905 /nfs/dbraw/zinc/03/69/05/858036905.db2.gz HCUKAEPZWMVFLY-UHFFFAOYSA-N 0 0 410.243 4.231 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000430239655 858093764 /nfs/dbraw/zinc/09/37/64/858093764.db2.gz KYBDNSXYXPWMGV-HNNXBMFYSA-N 0 0 404.772 4.099 20 5 HIBDRN O=C(N[C@H]1Cc2cccc(O)c2C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000430243848 858094764 /nfs/dbraw/zinc/09/47/64/858094764.db2.gz VCRRQOQSUISITF-HNNXBMFYSA-N 0 0 406.463 4.349 20 5 HIBDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000430426202 858156214 /nfs/dbraw/zinc/15/62/14/858156214.db2.gz MBHANJKNCWEFNY-XQAQDONZSA-N 0 0 404.264 4.274 20 5 HIBDRN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000430483889 858191573 /nfs/dbraw/zinc/19/15/73/858191573.db2.gz PTRJUZNZGUUUJZ-CYBMUJFWSA-N 0 0 413.783 4.276 20 5 HIBDRN COc1ccc(CCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000430527817 858208439 /nfs/dbraw/zinc/20/84/39/858208439.db2.gz VQJXRAJHCJDEDQ-UHFFFAOYSA-N 0 0 421.291 4.350 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NCCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000430532514 858209193 /nfs/dbraw/zinc/20/91/93/858209193.db2.gz RABOYYRQHJURKW-UHFFFAOYSA-N 0 0 411.502 4.064 20 5 HIBDRN CC(C)(NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000430541170 858212772 /nfs/dbraw/zinc/21/27/72/858212772.db2.gz AWQVNVIUYFPTSL-UHFFFAOYSA-N 0 0 408.433 4.073 20 5 HIBDRN CC(C)(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000430554173 858215566 /nfs/dbraw/zinc/21/55/66/858215566.db2.gz VDLWILUFWJTDQC-UHFFFAOYSA-N 0 0 415.449 4.114 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000430598039 858232196 /nfs/dbraw/zinc/23/21/96/858232196.db2.gz NLFDXOJSIJHNQN-WMZOPIPTSA-N 0 0 419.275 4.316 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000430643538 858245475 /nfs/dbraw/zinc/24/54/75/858245475.db2.gz RPJCEWOZCVAICT-ACJLOTCBSA-N 0 0 419.275 4.268 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)ccc1[N+](=O)[O-] ZINC000430784610 858304242 /nfs/dbraw/zinc/30/42/42/858304242.db2.gz QWVUPYIJOHOPPP-UHFFFAOYSA-N 0 0 404.394 4.015 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)ccc1[N+](=O)[O-] ZINC000430795046 858307528 /nfs/dbraw/zinc/30/75/28/858307528.db2.gz SRNZMPIOXIPXQY-UHFFFAOYSA-N 0 0 406.442 4.121 20 5 HIBDRN Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430803286 858310814 /nfs/dbraw/zinc/31/08/14/858310814.db2.gz SAACGIXFJJAXHC-UHFFFAOYSA-N 0 0 408.414 4.157 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H](c2cccc(Br)c2)N(C)C1=O ZINC000430858060 858337610 /nfs/dbraw/zinc/33/76/10/858337610.db2.gz OIHRKHDZBMQCHA-MEDUHNTESA-N 0 0 418.247 4.054 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@H]4CCC[C@H]43)o2)c(Br)c1 ZINC000430861133 858340928 /nfs/dbraw/zinc/34/09/28/858340928.db2.gz AKIXJCHEHCCJQD-AEFFLSMTSA-N 0 0 407.264 4.371 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)CN(CCc2ccc(Cl)cc2Cl)C1=O ZINC000430884735 858354930 /nfs/dbraw/zinc/35/49/30/858354930.db2.gz XMLWYUFRZKUHPU-GFCCVEGCSA-N 0 0 422.268 4.470 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCSC2(CCCCC2)C1 ZINC000430890209 858356396 /nfs/dbraw/zinc/35/63/96/858356396.db2.gz RPGVEEZUTAILMW-UHFFFAOYSA-N 0 0 418.437 4.428 20 5 HIBDRN CC(C)c1ccccc1OCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430938941 858375712 /nfs/dbraw/zinc/37/57/12/858375712.db2.gz DKQWSPKXXBXQAT-UHFFFAOYSA-N 0 0 407.264 4.290 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431073924 858435548 /nfs/dbraw/zinc/43/55/48/858435548.db2.gz NUHLXTOKEURQOG-SNVBAGLBSA-N 0 0 417.809 4.190 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NC[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000431083770 858439549 /nfs/dbraw/zinc/43/95/49/858439549.db2.gz MMSNQOQNBHIMMD-KBPBESRZSA-N 0 0 404.417 4.328 20 5 HIBDRN O=C(NC[C@@H]1CCC(F)(F)C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000431086444 858441101 /nfs/dbraw/zinc/44/11/01/858441101.db2.gz SWKWTEMMQHSFIJ-SECBINFHSA-N 0 0 419.215 4.253 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431109765 858450489 /nfs/dbraw/zinc/45/04/89/858450489.db2.gz XIZIIXOSDQHQFR-LLVKDONJSA-N 0 0 401.810 4.489 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000431131963 858461625 /nfs/dbraw/zinc/46/16/25/858461625.db2.gz HFUPSIIYGLOEND-INIZCTEOSA-N 0 0 407.239 4.403 20 5 HIBDRN COc1ccc(O[C@H](C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000431174352 858487180 /nfs/dbraw/zinc/48/71/80/858487180.db2.gz BHUXMTZETNAGCA-LLVKDONJSA-N 0 0 409.236 4.080 20 5 HIBDRN CCOc1ccc(OCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000431178707 858489631 /nfs/dbraw/zinc/48/96/31/858489631.db2.gz DSKIPJACTABUKU-UHFFFAOYSA-N 0 0 409.236 4.082 20 5 HIBDRN Cc1c(NC(=O)c2coc(Br)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431185317 858494106 /nfs/dbraw/zinc/49/41/06/858494106.db2.gz XWFKYXDMQOJSBJ-UHFFFAOYSA-N 0 0 404.014 4.274 20 5 HIBDRN COc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000431212809 858506776 /nfs/dbraw/zinc/50/67/76/858506776.db2.gz UVCIANIOOXUGOL-UHFFFAOYSA-N 0 0 408.252 4.423 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)nn1[C@H](C)C1CC1 ZINC000431218448 858510881 /nfs/dbraw/zinc/51/08/81/858510881.db2.gz BOTKLIKBKPXMGX-LLVKDONJSA-N 0 0 407.268 4.394 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])Nc1ccc(F)cc1Cl ZINC000431221541 858513875 /nfs/dbraw/zinc/51/38/75/858513875.db2.gz ULRUKKREFHHMOB-UHFFFAOYSA-N 0 0 403.591 4.167 20 5 HIBDRN COc1ccc(SCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000431222268 858513903 /nfs/dbraw/zinc/51/39/03/858513903.db2.gz GCRKPEAMCPKZFT-UHFFFAOYSA-N 0 0 411.277 4.405 20 5 HIBDRN COC(=O)c1ccc(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000431241263 858524742 /nfs/dbraw/zinc/52/47/42/858524742.db2.gz AJISXUOKDMAPIY-UHFFFAOYSA-N 0 0 421.247 4.024 20 5 HIBDRN CC1(C)Cc2ccc(Cl)c(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)c2O1 ZINC000431241612 858525859 /nfs/dbraw/zinc/52/58/59/858525859.db2.gz DWAUTKSGCHECRI-UHFFFAOYSA-N 0 0 412.833 4.400 20 5 HIBDRN COc1cc(OC2CC2)ccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431245607 858527823 /nfs/dbraw/zinc/52/78/23/858527823.db2.gz GOJUANXQRHGLHL-UHFFFAOYSA-N 0 0 421.247 4.468 20 5 HIBDRN CN1C(=O)N(Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C(=O)C1(C)C ZINC000431246815 858528534 /nfs/dbraw/zinc/52/85/34/858528534.db2.gz GYINULKIGVPPKA-UHFFFAOYSA-N 0 0 421.812 4.352 20 5 HIBDRN O=[N+]([O-])c1cccc(Br)c1OCc1nc(CCc2ccccc2)no1 ZINC000431249118 858529937 /nfs/dbraw/zinc/52/99/37/858529937.db2.gz SYOXESFTHSAGQR-UHFFFAOYSA-N 0 0 404.220 4.105 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431342471 858572785 /nfs/dbraw/zinc/57/27/85/858572785.db2.gz UPIWKYLYZGZPFX-UHFFFAOYSA-N 0 0 422.666 4.465 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000431349856 858575234 /nfs/dbraw/zinc/57/52/34/858575234.db2.gz MWTZJDJWQHZLBW-GFCCVEGCSA-N 0 0 415.247 4.034 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3c(C)cccc3CC)CC2)ccc1[N+](=O)[O-] ZINC000431428293 858610071 /nfs/dbraw/zinc/61/00/71/858610071.db2.gz CVKVMSNIQQBDPL-UHFFFAOYSA-N 0 0 412.490 4.218 20 5 HIBDRN O=C(NCc1ccc(-c2ccncc2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431442440 858617759 /nfs/dbraw/zinc/61/77/59/858617759.db2.gz BEAMEMDTPZJZEB-UHFFFAOYSA-N 0 0 412.243 4.349 20 5 HIBDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431499470 858645593 /nfs/dbraw/zinc/64/55/93/858645593.db2.gz HVVKFWPPXSDMPR-GFCCVEGCSA-N 0 0 404.264 4.090 20 5 HIBDRN Cc1cc(N[C@@H](C)c2ncc(Br)cn2)c(Br)cc1[N+](=O)[O-] ZINC000431501148 858646426 /nfs/dbraw/zinc/64/64/26/858646426.db2.gz WFJBEJBKIXFIJG-QMMMGPOBSA-N 0 0 416.073 4.391 20 5 HIBDRN CCCc1n[nH]c(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000431504954 858647046 /nfs/dbraw/zinc/64/70/46/858647046.db2.gz ADQZGDSKBWQJFS-UHFFFAOYSA-N 0 0 421.668 4.039 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3ncccc3C(F)(F)F)co2)cc1 ZINC000431557119 858669164 /nfs/dbraw/zinc/66/91/64/858669164.db2.gz DLSKLDVLNLYVJQ-NDEPHWFRSA-N 0 0 411.361 4.113 20 5 HIBDRN CCCc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000431591390 858680261 /nfs/dbraw/zinc/68/02/61/858680261.db2.gz CVOZLJJYEHLGGI-UHFFFAOYSA-N 0 0 412.490 4.300 20 5 HIBDRN COc1c(F)cc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000431605609 858685622 /nfs/dbraw/zinc/68/56/22/858685622.db2.gz BVDGNIXUVWAQDF-UHFFFAOYSA-N 0 0 414.480 4.332 20 5 HIBDRN CCN(CC)C(=O)c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431623508 858695796 /nfs/dbraw/zinc/69/57/96/858695796.db2.gz IKSQAFYILWBXJG-UHFFFAOYSA-N 0 0 420.263 4.092 20 5 HIBDRN COc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000431665737 858724528 /nfs/dbraw/zinc/72/45/28/858724528.db2.gz GSNRQIQPURQEOH-MRXNPFEDSA-N 0 0 420.849 4.070 20 5 HIBDRN Cc1c(CN2C(=O)[C@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)cccc1[N+](=O)[O-] ZINC000431727067 858766402 /nfs/dbraw/zinc/76/64/02/858766402.db2.gz SFVCHPZSPVYTDU-INIZCTEOSA-N 0 0 408.241 4.345 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CC(C)(C)c3ccccc32)cc1[N+](=O)[O-] ZINC000431871916 858849003 /nfs/dbraw/zinc/84/90/03/858849003.db2.gz SCRVYBXFKVVKKZ-INIZCTEOSA-N 0 0 423.498 4.027 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NCc3ccn(C4CCCC4)n3)cc2[N+](=O)[O-])CC1 ZINC000431888206 858856931 /nfs/dbraw/zinc/85/69/31/858856931.db2.gz VCFDKFIKHBTUDV-UHFFFAOYSA-N 0 0 411.506 4.073 20 5 HIBDRN Cc1c([C@@H](C)NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000431904540 858863272 /nfs/dbraw/zinc/86/32/72/858863272.db2.gz SWOMSPWJZKJAHB-CQSZACIVSA-N 0 0 410.449 4.383 20 5 HIBDRN CC1(C)CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1c1ccncc1 ZINC000431907387 858865208 /nfs/dbraw/zinc/86/52/08/858865208.db2.gz PDWIRAXVXWNNNA-INIZCTEOSA-N 0 0 408.380 4.301 20 5 HIBDRN CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000431937017 858877963 /nfs/dbraw/zinc/87/79/63/858877963.db2.gz JSWQVSGOZSAYEC-AWEZNQCLSA-N 0 0 409.393 4.172 20 5 HIBDRN CC(C)COC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccco1 ZINC000431944481 858881241 /nfs/dbraw/zinc/88/12/41/858881241.db2.gz YMHDHYNPMQKJTN-OAHLLOKOSA-N 0 0 411.252 4.094 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1nccn1Cc1ccccc1 ZINC000467536189 881356926 /nfs/dbraw/zinc/35/69/26/881356926.db2.gz DQWAGTALDBRZAO-UHFFFAOYSA-N 0 0 424.482 4.071 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000432091130 858982438 /nfs/dbraw/zinc/98/24/38/858982438.db2.gz UTSJMXPHBKHMBH-MRXNPFEDSA-N 0 0 418.291 4.132 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000432155473 859020892 /nfs/dbraw/zinc/02/08/92/859020892.db2.gz LDPMARURYQFHCH-HNNXBMFYSA-N 0 0 412.412 4.495 20 5 HIBDRN Cc1cc(NCc2cccc(N3CCOCC3)c2)c(Br)cc1[N+](=O)[O-] ZINC000432163371 859024279 /nfs/dbraw/zinc/02/42/79/859024279.db2.gz AYDBKNHWLTVZFI-UHFFFAOYSA-N 0 0 406.280 4.114 20 5 HIBDRN COc1cc(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)c([N+](=O)[O-])cc1OC ZINC000432208326 859047846 /nfs/dbraw/zinc/04/78/46/859047846.db2.gz NZBNIKNHLUEZOV-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN Cc1cccc(Oc2ccc(NC(=O)Cn3cc(Cl)cc([N+](=O)[O-])c3=O)cc2)c1 ZINC000432246316 859067370 /nfs/dbraw/zinc/06/73/70/859067370.db2.gz MIAWZALOQIHQBN-UHFFFAOYSA-N 0 0 413.817 4.149 20 5 HIBDRN CCO[C@@H](C)c1nc(CN2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cs1 ZINC000432310466 859097321 /nfs/dbraw/zinc/09/73/21/859097321.db2.gz BFKRRKKZYOBQCG-ZDUSSCGKSA-N 0 0 410.927 4.124 20 5 HIBDRN COc1cc(NC2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)cc(OC)c1 ZINC000432327722 859104765 /nfs/dbraw/zinc/10/47/65/859104765.db2.gz ICAQIQWKLXTLNE-UHFFFAOYSA-N 0 0 408.458 4.241 20 5 HIBDRN O=C(c1cccc(Cl)c1)N1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432328657 859105971 /nfs/dbraw/zinc/10/59/71/859105971.db2.gz XROCDHFNJNUJJG-UHFFFAOYSA-N 0 0 410.861 4.149 20 5 HIBDRN CO[C@H](C)c1nc(CN2CCCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cs1 ZINC000432337834 859108660 /nfs/dbraw/zinc/10/86/60/859108660.db2.gz SXMNBMCFIJPTNO-CYBMUJFWSA-N 0 0 410.927 4.124 20 5 HIBDRN O=[N+]([O-])c1cccc2c(N3CCO[C@H](c4ccc(OC(F)F)cc4)C3)ccnc21 ZINC000432346937 859113753 /nfs/dbraw/zinc/11/37/53/859113753.db2.gz MQMCBPYMOQMGAC-SFHVURJKSA-N 0 0 401.369 4.322 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000432417919 859155020 /nfs/dbraw/zinc/15/50/20/859155020.db2.gz PCTSCDDZRQZKRU-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(C3CC3)nn2)cc1 ZINC000432426677 859160093 /nfs/dbraw/zinc/16/00/93/859160093.db2.gz UBHPPIYDZCFZLQ-UHFFFAOYSA-N 0 0 412.453 4.727 20 5 HIBDRN C[C@@H]1CC[S@@](=O)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000432443069 859166333 /nfs/dbraw/zinc/16/63/33/859166333.db2.gz TUCMDMXBQMNRLD-DBDZUICISA-N 0 0 422.890 4.024 20 5 HIBDRN Cc1cc(C)c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(Br)c1 ZINC000432539570 859217022 /nfs/dbraw/zinc/21/70/22/859217022.db2.gz WYYFGDKMUGPWEP-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CCCc1c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cnn1-c1ccc(C)cc1 ZINC000432547820 859220816 /nfs/dbraw/zinc/22/08/16/859220816.db2.gz UTLXOZFVKJAFMY-UHFFFAOYSA-N 0 0 424.457 4.311 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432621058 859259107 /nfs/dbraw/zinc/25/91/07/859259107.db2.gz UTIRJVGAGNUHBM-MRXNPFEDSA-N 0 0 412.446 4.235 20 5 HIBDRN CCOc1cc(NC(=O)N2Cc3ccccc3O[C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000432646905 859270717 /nfs/dbraw/zinc/27/07/17/859270717.db2.gz ZEQMPFXSRFGEDM-AWEZNQCLSA-N 0 0 415.446 4.207 20 5 HIBDRN Cn1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000432685616 859293007 /nfs/dbraw/zinc/29/30/07/859293007.db2.gz OXBNRHZZAMQABL-UHFFFAOYSA-N 0 0 409.627 4.150 20 5 HIBDRN Cc1ccc(-c2cccnc2)cc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000432797023 859364562 /nfs/dbraw/zinc/36/45/62/859364562.db2.gz JTBDVBZJCDOMTO-UHFFFAOYSA-N 0 0 404.426 4.260 20 5 HIBDRN COc1ccc(Br)c(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000432831666 859377642 /nfs/dbraw/zinc/37/76/42/859377642.db2.gz VJWAIMAOJUQBPE-UHFFFAOYSA-N 0 0 408.252 4.423 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N1CCC(c2ncc3n2CCCC3)CC1 ZINC000432920997 859431382 /nfs/dbraw/zinc/43/13/82/859431382.db2.gz XWQQZTNIZTVZEZ-UHFFFAOYSA-N 0 0 405.296 4.274 20 5 HIBDRN COc1ccc2c(c1)[C@@H](C(=O)N(C)c1nc(-c3ccccc3[N+](=O)[O-])cs1)CC2 ZINC000432997724 859470309 /nfs/dbraw/zinc/47/03/09/859470309.db2.gz YKFYBZXPRPQYSN-HNNXBMFYSA-N 0 0 409.467 4.420 20 5 HIBDRN C[C@H]1CN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000433025303 859485688 /nfs/dbraw/zinc/48/56/88/859485688.db2.gz JLZUGEWATYQEHP-PGGUUEOZSA-N 0 0 408.907 4.241 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433315862 859633835 /nfs/dbraw/zinc/63/38/35/859633835.db2.gz CMWWHCXEFSAPMX-DZGCQCFKSA-N 0 0 403.866 4.073 20 5 HIBDRN COCCCN(Cc1ccncc1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000433442801 859704929 /nfs/dbraw/zinc/70/49/29/859704929.db2.gz KUCIQRZKTZKAJC-UHFFFAOYSA-N 0 0 405.454 4.264 20 5 HIBDRN COc1ccc(CNC(=O)N(C)Cc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000433561896 859780047 /nfs/dbraw/zinc/78/00/47/859780047.db2.gz UZWPRGRCUIGKQG-UHFFFAOYSA-N 0 0 422.279 4.016 20 5 HIBDRN CC(=O)Nc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1F ZINC000433584524 859795060 /nfs/dbraw/zinc/79/50/60/859795060.db2.gz UYKKKMFPZJBTAJ-UHFFFAOYSA-N 0 0 400.391 4.068 20 5 HIBDRN O=C(COc1cc(F)cc([N+](=O)[O-])c1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000433664653 859830181 /nfs/dbraw/zinc/83/01/81/859830181.db2.gz PGIRFUWLMMTIEI-IBGZPJMESA-N 0 0 404.394 4.219 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000433725190 859855667 /nfs/dbraw/zinc/85/56/67/859855667.db2.gz TUYUUMYZKJVAPG-UHFFFAOYSA-N 0 0 400.341 4.382 20 5 HIBDRN Cn1cc(-c2cc(F)ccc2NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000433800665 859898477 /nfs/dbraw/zinc/89/84/77/859898477.db2.gz FRRKBUAQDXUPCJ-UHFFFAOYSA-N 0 0 409.421 4.331 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1[N+](=O)[O-] ZINC000433827383 859917665 /nfs/dbraw/zinc/91/76/65/859917665.db2.gz YJXDXKJBONGLGR-UHFFFAOYSA-N 0 0 405.867 4.394 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])ccc1OCCC(C)C ZINC000433837578 859924238 /nfs/dbraw/zinc/92/42/38/859924238.db2.gz FXPDVOIIAASHJY-AWEZNQCLSA-N 0 0 418.494 4.366 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)c1[N+](=O)[O-] ZINC000433943234 859991037 /nfs/dbraw/zinc/99/10/37/859991037.db2.gz TWZHVJJRMRLYRV-UHFFFAOYSA-N 0 0 404.430 4.247 20 5 HIBDRN Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433950489 859998301 /nfs/dbraw/zinc/99/83/01/859998301.db2.gz XMFULXOIBKRNDS-UHFFFAOYSA-N 0 0 410.478 4.485 20 5 HIBDRN Cc1c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cccc1NC(=O)c1ccccc1 ZINC000433987622 860018515 /nfs/dbraw/zinc/01/85/15/860018515.db2.gz HSVJFLVPCGXWTA-UHFFFAOYSA-N 0 0 407.430 4.254 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000433994499 860024684 /nfs/dbraw/zinc/02/46/84/860024684.db2.gz SMFCUQFSYNDMBS-CYBMUJFWSA-N 0 0 407.268 4.181 20 5 HIBDRN COCCN(C(=O)c1ccc(F)cc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000434008234 860036816 /nfs/dbraw/zinc/03/68/16/860036816.db2.gz LEMRAMIBGVZZML-UHFFFAOYSA-N 0 0 415.446 4.459 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000434009361 860037325 /nfs/dbraw/zinc/03/73/25/860037325.db2.gz XLFCVALTJGEUFZ-UHFFFAOYSA-N 0 0 407.426 4.236 20 5 HIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000434020736 860043874 /nfs/dbraw/zinc/04/38/74/860043874.db2.gz HZBAGBZWYGSNEL-UHFFFAOYSA-N 0 0 410.861 4.498 20 5 HIBDRN Cc1ccn(C2CCN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])CC2)n1 ZINC000434026631 860049107 /nfs/dbraw/zinc/04/91/07/860049107.db2.gz URSVNCNDHNEEFX-UHFFFAOYSA-N 0 0 420.469 4.156 20 5 HIBDRN CCOc1cc(C(=O)N2CCC(F)(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000434053689 860067306 /nfs/dbraw/zinc/06/73/06/860067306.db2.gz PEZSCHVHWKGQOC-UHFFFAOYSA-N 0 0 402.422 4.103 20 5 HIBDRN CC(C)[C@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000434168278 860163113 /nfs/dbraw/zinc/16/31/13/860163113.db2.gz UDHUYHSFJCNGJT-FQEVSTJZSA-N 0 0 410.518 4.396 20 5 HIBDRN O=C(Nc1cc(C(F)(F)F)ccn1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000434227484 860211538 /nfs/dbraw/zinc/21/15/38/860211538.db2.gz YICRKOBVSVCLDC-UHFFFAOYSA-N 0 0 410.352 4.084 20 5 HIBDRN C[C@]1(CCc2ccccc2)CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000434242778 860224276 /nfs/dbraw/zinc/22/42/76/860224276.db2.gz MVNXOERLTNLDSG-QHCPKHFHSA-N 0 0 404.470 4.266 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000434242516 860224476 /nfs/dbraw/zinc/22/44/76/860224476.db2.gz AFLONVFUSVMYEI-UHFFFAOYSA-N 0 0 414.845 4.354 20 5 HIBDRN Cn1cc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000434250078 860230085 /nfs/dbraw/zinc/23/00/85/860230085.db2.gz PVQPPLPPERJHEA-XMMPIXPASA-N 0 0 418.497 4.480 20 5 HIBDRN CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CCC(CO)CC1 ZINC000434260375 860237733 /nfs/dbraw/zinc/23/77/33/860237733.db2.gz PJPBVAGPRVLBCM-UHFFFAOYSA-N 0 0 400.500 4.369 20 5 HIBDRN O=C(NCC1(O)CCCC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467722872 881520786 /nfs/dbraw/zinc/52/07/86/881520786.db2.gz BEZGSQQBYINRDU-UHFFFAOYSA-N 0 0 406.891 4.434 20 5 HIBDRN CCCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000434326787 860288353 /nfs/dbraw/zinc/28/83/53/860288353.db2.gz NWGIFWPNNSEMLK-UHFFFAOYSA-N 0 0 407.264 4.119 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000434328789 860290806 /nfs/dbraw/zinc/29/08/06/860290806.db2.gz ZYCANYXPIACSBQ-IBGZPJMESA-N 0 0 404.898 4.499 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(Br)ccc2OC(C)C)cc1[N+](=O)[O-] ZINC000434330021 860292221 /nfs/dbraw/zinc/29/22/21/860292221.db2.gz HSWCEVVRLAFUAE-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000434343493 860302229 /nfs/dbraw/zinc/30/22/29/860302229.db2.gz HDMGVWIZJHVJSN-UHFFFAOYSA-N 0 0 410.396 4.480 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000434413659 860340012 /nfs/dbraw/zinc/34/00/12/860340012.db2.gz XGAAXZZBRQJHOM-UHFFFAOYSA-N 0 0 405.248 4.115 20 5 HIBDRN CC(C)Oc1ccc(Br)cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000434552939 860397727 /nfs/dbraw/zinc/39/77/27/860397727.db2.gz BMBAEAVSIIUTEX-UHFFFAOYSA-N 0 0 408.252 4.195 20 5 HIBDRN C[C@]1(CCc2ccccc2)CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000434588063 860414628 /nfs/dbraw/zinc/41/46/28/860414628.db2.gz SRZOGQUGUPCZCJ-QHCPKHFHSA-N 0 0 405.454 4.334 20 5 HIBDRN O=C(CN[C@@H](c1cc(F)ccc1F)C(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000434668164 860452514 /nfs/dbraw/zinc/45/25/14/860452514.db2.gz YIUDUPLSWRMIHJ-HNNXBMFYSA-N 0 0 405.735 4.061 20 5 HIBDRN CCN(C(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1nc2ccccc2s1 ZINC000434718199 860468664 /nfs/dbraw/zinc/46/86/64/860468664.db2.gz OIEUPTMKKVNVOC-UHFFFAOYSA-N 0 0 412.515 4.468 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000467740514 881543959 /nfs/dbraw/zinc/54/39/59/881543959.db2.gz GXFRIOPFLANKOE-BHIYHBOVSA-N 0 0 406.548 4.499 20 5 HIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434838475 860515369 /nfs/dbraw/zinc/51/53/69/860515369.db2.gz ZXBQQKMXMYVIBT-UHFFFAOYSA-N 0 0 405.458 4.479 20 5 HIBDRN COc1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(OC)c(C)c1OC ZINC000434901928 860545553 /nfs/dbraw/zinc/54/55/53/860545553.db2.gz GEOIDJVLENIVMY-UHFFFAOYSA-N 0 0 415.446 4.126 20 5 HIBDRN O=C(N[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1)c1ccc2ccccc2c1 ZINC000434957085 860573680 /nfs/dbraw/zinc/57/36/80/860573680.db2.gz ATRPUIXMSDBAIR-SFHVURJKSA-N 0 0 410.861 4.195 20 5 HIBDRN COc1ccc(CN2CCC(Nc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC000435026264 860605075 /nfs/dbraw/zinc/60/50/75/860605075.db2.gz LXZSDEGWSCRILS-UHFFFAOYSA-N 0 0 420.307 4.442 20 5 HIBDRN CCc1cc(C)cc(CC)c1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000435170101 860675741 /nfs/dbraw/zinc/67/57/41/860675741.db2.gz BQPYPGDJDHFLOR-UHFFFAOYSA-N 0 0 424.501 4.018 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000467756187 881570410 /nfs/dbraw/zinc/57/04/10/881570410.db2.gz UFCYFMBQNFIKTG-UTXMOHQDSA-N 0 0 412.939 4.128 20 5 HIBDRN Cc1c(NC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000435325475 860736535 /nfs/dbraw/zinc/73/65/35/860736535.db2.gz AIMQPNVRUCUWBZ-SNVBAGLBSA-N 0 0 418.251 4.425 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@@H]2c2ccncc2)cc(Br)cc1[N+](=O)[O-] ZINC000435326305 860737067 /nfs/dbraw/zinc/73/70/67/860737067.db2.gz CJSPCKBXWJPALF-OAHLLOKOSA-N 0 0 405.252 4.430 20 5 HIBDRN Cc1c(NC(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435327118 860738521 /nfs/dbraw/zinc/73/85/21/860738521.db2.gz GDWFAXDLWYHMAY-OAHLLOKOSA-N 0 0 424.299 4.308 20 5 HIBDRN COC(=O)Cc1cccc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000435327870 860739193 /nfs/dbraw/zinc/73/91/93/860739193.db2.gz JDZHMPDTFAOKMP-UHFFFAOYSA-N 0 0 422.235 4.025 20 5 HIBDRN Cc1c(NC(=O)N2CCO[C@@H](c3ccccc3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435328716 860739977 /nfs/dbraw/zinc/73/99/77/860739977.db2.gz MMFRNAKKUORHNX-QGZVFWFLSA-N 0 0 420.263 4.271 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@@H]2c2cccnc2)cc(Br)cc1[N+](=O)[O-] ZINC000435330564 860741427 /nfs/dbraw/zinc/74/14/27/860741427.db2.gz UJWRNRUSNISMSL-OAHLLOKOSA-N 0 0 405.252 4.430 20 5 HIBDRN COc1cc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc(OC)c1 ZINC000435330520 860741712 /nfs/dbraw/zinc/74/17/12/860741712.db2.gz UCMJAJQBBDJCRZ-UHFFFAOYSA-N 0 0 410.224 4.327 20 5 HIBDRN Cc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cnn1-c1ccccc1F ZINC000435341957 860749134 /nfs/dbraw/zinc/74/91/34/860749134.db2.gz BNVRNYPWHWZKHG-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(Cl)c(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000467758546 881576843 /nfs/dbraw/zinc/57/68/43/881576843.db2.gz OIEJBWVWHMRZJD-UHFFFAOYSA-N 0 0 423.922 4.190 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(Sc2ccncc2)cc1 ZINC000435367859 860765750 /nfs/dbraw/zinc/76/57/50/860765750.db2.gz BIRXNSUADLTAIG-UHFFFAOYSA-N 0 0 423.450 4.093 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1F ZINC000435377043 860774144 /nfs/dbraw/zinc/77/41/44/860774144.db2.gz XMOSKWYSOLNOEX-CYBMUJFWSA-N 0 0 400.435 4.347 20 5 HIBDRN Cc1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cnn1-c1ccccc1F ZINC000435381567 860777874 /nfs/dbraw/zinc/77/78/74/860777874.db2.gz UQTJISNRTACYHA-UHFFFAOYSA-N 0 0 409.421 4.081 20 5 HIBDRN CCCOc1ccc2c(c1)CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C2 ZINC000435389518 860781569 /nfs/dbraw/zinc/78/15/69/860781569.db2.gz KYEDLSFQLWBVOP-OAHLLOKOSA-N 0 0 400.500 4.449 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435427628 860796675 /nfs/dbraw/zinc/79/66/75/860796675.db2.gz MVJJHWNPSQMXDO-UHFFFAOYSA-N 0 0 419.261 4.394 20 5 HIBDRN O=C(CCOC[C@@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435444391 860801308 /nfs/dbraw/zinc/80/13/08/860801308.db2.gz SJXFLZUMQKYCGC-AWEZNQCLSA-N 0 0 408.501 4.332 20 5 HIBDRN Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000435446342 860801358 /nfs/dbraw/zinc/80/13/58/860801358.db2.gz JSOIOEUPUZMPTK-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=C(CN1CCCCCC1=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435453180 860804165 /nfs/dbraw/zinc/80/41/65/860804165.db2.gz RMFABAVHWOSHKS-UHFFFAOYSA-N 0 0 405.501 4.149 20 5 HIBDRN C[C@H]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435472272 860810810 /nfs/dbraw/zinc/81/08/10/860810810.db2.gz DVTKLKHYXSBTBE-LBPRGKRZSA-N 0 0 405.501 4.005 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c1[N+](=O)[O-] ZINC000435564382 860885995 /nfs/dbraw/zinc/88/59/95/860885995.db2.gz CCOFOEQVFMZYII-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN O=C(c1cc(N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000435591739 860899405 /nfs/dbraw/zinc/89/94/05/860899405.db2.gz DOKQVLCBZJOHKL-PPUGGXLSSA-N 0 0 401.413 4.467 20 5 HIBDRN CCCOc1cc(NC(=O)N(C)C2CCC(CO)CC2)c([N+](=O)[O-])cc1OCCC ZINC000435667215 860947183 /nfs/dbraw/zinc/94/71/83/860947183.db2.gz ICJPWJRNDBBLFU-UHFFFAOYSA-N 0 0 423.510 4.187 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCCc2ccccn2)cc1 ZINC000435717229 861001438 /nfs/dbraw/zinc/00/14/38/861001438.db2.gz KQGGGSZUJMTKHZ-UHFFFAOYSA-N 0 0 407.426 4.153 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 ZINC000435817288 861082362 /nfs/dbraw/zinc/08/23/62/861082362.db2.gz NFROSAKGIQFDBP-UHFFFAOYSA-N 0 0 408.404 4.240 20 5 HIBDRN CCC1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCC1 ZINC000435823441 861088638 /nfs/dbraw/zinc/08/86/38/861088638.db2.gz CMLAQGDHHZOIEG-UHFFFAOYSA-N 0 0 419.528 4.443 20 5 HIBDRN O=C(NCCSc1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435824452 861090537 /nfs/dbraw/zinc/09/05/37/861090537.db2.gz CVISZPJUVCILRV-UHFFFAOYSA-N 0 0 410.445 4.482 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000467788467 881612215 /nfs/dbraw/zinc/61/22/15/881612215.db2.gz PVFSFWVOPYBSSV-UHFFFAOYSA-N 0 0 408.479 4.266 20 5 HIBDRN O=C(NCCCOC1CCCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435828581 861094186 /nfs/dbraw/zinc/09/41/86/861094186.db2.gz SWEORTKFLUQOAU-UHFFFAOYSA-N 0 0 414.452 4.429 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000467792004 881615966 /nfs/dbraw/zinc/61/59/66/881615966.db2.gz ZACCDOGMXAAHCN-CYBMUJFWSA-N 0 0 417.874 4.350 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(CC3CCC3)[C@@H](C)CO)cc2[N+](=O)[O-])n1 ZINC000435856898 861116819 /nfs/dbraw/zinc/11/68/19/861116819.db2.gz LPVCYGAXXBDAGA-ZDUSSCGKSA-N 0 0 421.544 4.134 20 5 HIBDRN COc1ccc(CCN(CC(C)(C)C)C(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000435863903 861124806 /nfs/dbraw/zinc/12/48/06/861124806.db2.gz CRCBEBNVLDZNJK-UHFFFAOYSA-N 0 0 400.475 4.343 20 5 HIBDRN CC(=O)Nc1ccc(F)c(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000435866392 861127683 /nfs/dbraw/zinc/12/76/83/861127683.db2.gz VFKHPOJWYRAWON-UHFFFAOYSA-N 0 0 407.376 4.170 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000435879874 861139143 /nfs/dbraw/zinc/13/91/43/861139143.db2.gz MCJUKGCBXBNUBH-HXUWFJFHSA-N 0 0 420.415 4.173 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000435879872 861139628 /nfs/dbraw/zinc/13/96/28/861139628.db2.gz MCJUKGCBXBNUBH-FQEVSTJZSA-N 0 0 420.415 4.173 20 5 HIBDRN COc1cccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] ZINC000435902863 861160720 /nfs/dbraw/zinc/16/07/20/861160720.db2.gz OPBNPYWIMNDLDC-SNVBAGLBSA-N 0 0 415.393 4.099 20 5 HIBDRN CCOC(=O)c1cc(NCc2ccc(C)cc2OC[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000467795584 881619354 /nfs/dbraw/zinc/61/93/54/881619354.db2.gz CQLKVIPMYYDESX-INIZCTEOSA-N 0 0 414.458 4.107 20 5 HIBDRN CCOC(=O)c1cc(NCc2ccc(NC(=O)c3cccnc3)cc2)ccc1[N+](=O)[O-] ZINC000467803267 881627975 /nfs/dbraw/zinc/62/79/75/881627975.db2.gz ORCAFCUZSDFPLX-UHFFFAOYSA-N 0 0 420.425 4.031 20 5 HIBDRN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000437817367 863153230 /nfs/dbraw/zinc/15/32/30/863153230.db2.gz SXWMDNAORYWLSO-UHFFFAOYSA-N 0 0 419.865 4.124 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437929540 863305937 /nfs/dbraw/zinc/30/59/37/863305937.db2.gz HXMSPDXSTCOHMT-UHFFFAOYSA-N 0 0 422.894 4.381 20 5 HIBDRN C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Oc1ccccc1Cl ZINC000437973876 863341672 /nfs/dbraw/zinc/34/16/72/863341672.db2.gz HMOADEBVRADOSF-CQSZACIVSA-N 0 0 403.866 4.390 20 5 HIBDRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437976267 863343514 /nfs/dbraw/zinc/34/35/14/863343514.db2.gz JJCQBZDCLVFUCW-KRWDZBQOSA-N 0 0 414.893 4.201 20 5 HIBDRN COc1cc(F)c([C@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC ZINC000437976830 863345652 /nfs/dbraw/zinc/34/56/52/863345652.db2.gz PZOMSFFESPPNRW-ZDUSSCGKSA-N 0 0 417.437 4.186 20 5 HIBDRN COc1ccc(CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(Cl)c1 ZINC000437983203 863348566 /nfs/dbraw/zinc/34/85/66/863348566.db2.gz BMUSQFSKWWFBJI-UHFFFAOYSA-N 0 0 403.866 4.174 20 5 HIBDRN Cc1ccc(-c2nc(CNC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)co2)cc1 ZINC000437996551 863359138 /nfs/dbraw/zinc/35/91/38/863359138.db2.gz STRWLVIOTGLZQH-UHFFFAOYSA-N 0 0 406.442 4.432 20 5 HIBDRN O=C(NCc1csc(Br)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438004738 863365798 /nfs/dbraw/zinc/36/57/98/863365798.db2.gz RSLXKOSWELASPK-UHFFFAOYSA-N 0 0 410.293 4.293 20 5 HIBDRN O=C(NCc1sccc1Br)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438007856 863367193 /nfs/dbraw/zinc/36/71/93/863367193.db2.gz DXVAZRGXXNZOBI-UHFFFAOYSA-N 0 0 410.293 4.293 20 5 HIBDRN O=C(NCc1nc(-c2ccncc2)cs1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438048211 863410877 /nfs/dbraw/zinc/41/08/77/863410877.db2.gz ISNOQEBQADXKPB-UHFFFAOYSA-N 0 0 408.361 4.062 20 5 HIBDRN O=C(Nc1nc2ccsc2s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438489233 863906957 /nfs/dbraw/zinc/90/69/57/863906957.db2.gz FWLLJXOWXNELMX-UHFFFAOYSA-N 0 0 404.473 4.341 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000438530317 863954997 /nfs/dbraw/zinc/95/49/97/863954997.db2.gz RRQJDYYLHAHMEE-QHCPKHFHSA-N 0 0 423.513 4.105 20 5 HIBDRN O=C(NCc1cccs1)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000438550561 863980422 /nfs/dbraw/zinc/98/04/22/863980422.db2.gz ZESKHYNAIRCORT-UHFFFAOYSA-N 0 0 415.858 4.492 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H](CC(F)(F)F)C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000438618039 864042645 /nfs/dbraw/zinc/04/26/45/864042645.db2.gz IJMSGXMMYZWUDX-MRXNPFEDSA-N 0 0 412.412 4.163 20 5 HIBDRN CCOc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Cl ZINC000438654527 864095850 /nfs/dbraw/zinc/09/58/50/864095850.db2.gz GZZKTNOUQVETNY-UHFFFAOYSA-N 0 0 419.865 4.023 20 5 HIBDRN Cc1oc2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2c1C ZINC000438663712 864115934 /nfs/dbraw/zinc/11/59/34/864115934.db2.gz XPHYQVVNVKYIFQ-UHFFFAOYSA-N 0 0 409.442 4.334 20 5 HIBDRN Cn1cc(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438676350 864137390 /nfs/dbraw/zinc/13/73/90/864137390.db2.gz DBIKRIHBXZXUBO-MJGOQNOKSA-N 0 0 404.470 4.137 20 5 HIBDRN CC(C)CN(c1cccc(O)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000438751378 864242277 /nfs/dbraw/zinc/24/22/77/864242277.db2.gz CMLBHPBQCJMOOY-UHFFFAOYSA-N 0 0 419.286 4.459 20 5 HIBDRN CCN(c1cccc(C)c1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438805271 864295855 /nfs/dbraw/zinc/29/58/55/864295855.db2.gz LYCVAZJZYVRTBL-UHFFFAOYSA-N 0 0 413.293 4.189 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3cc(Br)ccn3)cc2[N+](=O)[O-])C1 ZINC000438813364 864305601 /nfs/dbraw/zinc/30/56/01/864305601.db2.gz SIOCXLVGFZRQQB-LBPRGKRZSA-N 0 0 419.279 4.241 20 5 HIBDRN COC(=O)c1cccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)c1 ZINC000438822245 864316367 /nfs/dbraw/zinc/31/63/67/864316367.db2.gz VJLDYSUQRIONFJ-UHFFFAOYSA-N 0 0 411.417 4.040 20 5 HIBDRN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(C)c1 ZINC000438837362 864331382 /nfs/dbraw/zinc/33/13/82/864331382.db2.gz SDTNBKZSLPWKHZ-CYBMUJFWSA-N 0 0 417.487 4.380 20 5 HIBDRN CCc1ccc(CC)c(NC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000438844515 864337599 /nfs/dbraw/zinc/33/75/99/864337599.db2.gz XAHBMPBSZAYBGL-UHFFFAOYSA-N 0 0 401.463 4.101 20 5 HIBDRN CCOc1ccc(Oc2cc(CNC(=O)Cc3cccc([N+](=O)[O-])c3C)ccn2)cc1 ZINC000438892152 864373513 /nfs/dbraw/zinc/37/35/13/864373513.db2.gz CCBWTAYVKNJYRD-UHFFFAOYSA-N 0 0 421.453 4.348 20 5 HIBDRN Cc1c(CC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cccc1[N+](=O)[O-] ZINC000438912699 864391919 /nfs/dbraw/zinc/39/19/19/864391919.db2.gz WFJMVBJILWWRJE-KRWDZBQOSA-N 0 0 424.432 4.041 20 5 HIBDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438916427 864394724 /nfs/dbraw/zinc/39/47/24/864394724.db2.gz JQBFSPDXZNVTBO-UHFFFAOYSA-N 0 0 421.375 4.314 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2c(NC(C)=O)ccc(C)c21 ZINC000438935415 864412241 /nfs/dbraw/zinc/41/22/41/864412241.db2.gz IVRDIMMFTVLQGC-GOSISDBHSA-N 0 0 409.486 4.410 20 5 HIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000438938138 864414913 /nfs/dbraw/zinc/41/49/13/864414913.db2.gz NKPNCBYSEMKXSS-UHFFFAOYSA-N 0 0 404.470 4.082 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000438950474 864422080 /nfs/dbraw/zinc/42/20/80/864422080.db2.gz QSSOOQHTLHIBLX-QGZVFWFLSA-N 0 0 404.850 4.369 20 5 HIBDRN CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000438954454 864425199 /nfs/dbraw/zinc/42/51/99/864425199.db2.gz JTNOCPADMZQVSF-UHFFFAOYSA-N 0 0 401.850 4.037 20 5 HIBDRN O=C(Nc1ccc2ccoc2c1)c1ccc([N+](=O)[O-])cc1I ZINC000467907360 881769922 /nfs/dbraw/zinc/76/99/22/881769922.db2.gz CQHPBTYPJBVYAV-UHFFFAOYSA-N 0 0 408.151 4.198 20 5 HIBDRN Cc1c(CC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000439076314 864527050 /nfs/dbraw/zinc/52/70/50/864527050.db2.gz GAKOZXHMFVDADU-UHFFFAOYSA-N 0 0 418.375 4.348 20 5 HIBDRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439083359 864532178 /nfs/dbraw/zinc/53/21/78/864532178.db2.gz CDMNXJAFVWBLBA-IIBYNOLFSA-N 0 0 411.506 4.063 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000439099430 864539707 /nfs/dbraw/zinc/53/97/07/864539707.db2.gz STDCOEKTMFSLTQ-LLVKDONJSA-N 0 0 409.364 4.394 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000439104644 864542125 /nfs/dbraw/zinc/54/21/25/864542125.db2.gz BFNCMTNJJMMDEU-UHFFFAOYSA-N 0 0 413.449 4.348 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000439106046 864542855 /nfs/dbraw/zinc/54/28/55/864542855.db2.gz GXRNDLZNGZPBAV-ZIAGYGMSSA-N 0 0 403.866 4.423 20 5 HIBDRN CC(C)c1ccc(C(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)cc1[N+](=O)[O-] ZINC000439109433 864547390 /nfs/dbraw/zinc/54/73/90/864547390.db2.gz PFLKLGBVHMQDEE-SFHVURJKSA-N 0 0 409.446 4.290 20 5 HIBDRN CC(C)c1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000439111660 864548407 /nfs/dbraw/zinc/54/84/07/864548407.db2.gz XHNKIHRUEISPKJ-SFHVURJKSA-N 0 0 415.877 4.249 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000439116275 864552720 /nfs/dbraw/zinc/55/27/20/864552720.db2.gz JOGBDQNPCCNSMP-UHFFFAOYSA-N 0 0 408.376 4.475 20 5 HIBDRN CC(C)c1ccc(C(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000439117321 864553772 /nfs/dbraw/zinc/55/37/72/864553772.db2.gz SHALTWADGFULBO-MRXNPFEDSA-N 0 0 424.501 4.075 20 5 HIBDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000439119665 864555600 /nfs/dbraw/zinc/55/56/00/864555600.db2.gz RFFXGKMTERUHDG-INIZCTEOSA-N 0 0 409.486 4.407 20 5 HIBDRN O=c1[nH]c(N2CCC(c3nc4ccccc4s3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000439132557 864566737 /nfs/dbraw/zinc/56/67/37/864566737.db2.gz PFXMFEJKNKWVJA-UHFFFAOYSA-N 0 0 407.455 4.237 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccccc2Br)CC1 ZINC000439132735 864567141 /nfs/dbraw/zinc/56/71/41/864567141.db2.gz YHUPBFWAVAMRGU-UHFFFAOYSA-N 0 0 418.291 4.447 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000439140259 864573672 /nfs/dbraw/zinc/57/36/72/864573672.db2.gz HMXBFCXYEVMOCX-ZIAGYGMSSA-N 0 0 418.519 4.036 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000439159172 864589121 /nfs/dbraw/zinc/58/91/21/864589121.db2.gz WLOLNUCUNDHUSN-GFCCVEGCSA-N 0 0 400.822 4.021 20 5 HIBDRN COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c(C)c1 ZINC000439222748 864640969 /nfs/dbraw/zinc/64/09/69/864640969.db2.gz LCJJZRNFJJEVKE-UHFFFAOYSA-N 0 0 412.467 4.307 20 5 HIBDRN CCN(C1CCCCC1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000439244153 864661590 /nfs/dbraw/zinc/66/15/90/864661590.db2.gz GPRGAEXUYWNZBW-UHFFFAOYSA-N 0 0 405.314 4.009 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)N(C)[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000439244208 864661715 /nfs/dbraw/zinc/66/17/15/864661715.db2.gz GXUKCAJGMPNUDW-SNVBAGLBSA-N 0 0 419.322 4.109 20 5 HIBDRN Cc1nc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])ccc1Br ZINC000439246324 864663469 /nfs/dbraw/zinc/66/34/69/864663469.db2.gz LMRNTGYLBJBRGS-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN COCCCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000439295245 864720328 /nfs/dbraw/zinc/72/03/28/864720328.db2.gz MIFLDBMZMHAFQF-UHFFFAOYSA-N 0 0 422.279 4.134 20 5 HIBDRN O=C(Nc1cc([C@H]2CCCO2)[nH]n1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000467924388 881797182 /nfs/dbraw/zinc/79/71/82/881797182.db2.gz KDUODCGGVGTRGM-GOSISDBHSA-N 0 0 409.402 4.606 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC(CO)CC1 ZINC000467927547 881801952 /nfs/dbraw/zinc/80/19/52/881801952.db2.gz PHGSFBQZHJQYNY-UHFFFAOYSA-N 0 0 406.891 4.244 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H](CO)c1cccc(Cl)c1F ZINC000439383775 864812738 /nfs/dbraw/zinc/81/27/38/864812738.db2.gz HXTVTZUEPPIVIZ-LBPRGKRZSA-N 0 0 421.734 4.261 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000439437383 864831460 /nfs/dbraw/zinc/83/14/60/864831460.db2.gz KAASNLTUKISQKZ-QGZVFWFLSA-N 0 0 423.391 4.374 20 5 HIBDRN Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2)c1 ZINC000439524500 864864193 /nfs/dbraw/zinc/86/41/93/864864193.db2.gz GCSMESVCMILUQN-UHFFFAOYSA-N 0 0 419.437 4.368 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000467940807 881810729 /nfs/dbraw/zinc/81/07/29/881810729.db2.gz DTORYJHIAOWEGW-GOSISDBHSA-N 0 0 409.446 4.258 20 5 HIBDRN O=[N+]([O-])c1ccc(Nc2cccc(C(F)(F)F)c2)c(NCc2nnnn2C2CC2)c1 ZINC000439554393 864880313 /nfs/dbraw/zinc/88/03/13/864880313.db2.gz YKNCBQHRDMLPKY-UHFFFAOYSA-N 0 0 419.367 4.291 20 5 HIBDRN COC(=O)c1c(C2CC2)csc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000439662485 864992048 /nfs/dbraw/zinc/99/20/48/864992048.db2.gz CFGGQDFJOGNMHC-UHFFFAOYSA-N 0 0 422.484 4.303 20 5 HIBDRN COC(=O)c1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1OC(C)C ZINC000439674761 865008251 /nfs/dbraw/zinc/00/82/51/865008251.db2.gz PXXQHZWALVEGEO-UHFFFAOYSA-N 0 0 415.446 4.225 20 5 HIBDRN Cc1cc(N[C@H](C)c2ccc(-n3cccn3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439695561 865032119 /nfs/dbraw/zinc/03/21/19/865032119.db2.gz ZHSZUPSPDNHJMB-MRXNPFEDSA-N 0 0 400.442 4.141 20 5 HIBDRN COc1ccc2c(c1)CCN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 ZINC000439699557 865036534 /nfs/dbraw/zinc/03/65/34/865036534.db2.gz VMRLFIMCXRLQIP-UHFFFAOYSA-N 0 0 409.364 4.255 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NCCCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000439703178 865041163 /nfs/dbraw/zinc/04/11/63/865041163.db2.gz HCEKXVBMFSLLQH-UHFFFAOYSA-N 0 0 410.348 4.367 20 5 HIBDRN Cc1cc(Sc2ncccn2)ccc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467983734 881833697 /nfs/dbraw/zinc/83/36/97/881833697.db2.gz MGVKFLOLYLLXEA-UHFFFAOYSA-N 0 0 409.471 4.209 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccccc3-c3cn[nH]c3)cc2)c(C)c1[N+](=O)[O-] ZINC000439758668 865085690 /nfs/dbraw/zinc/08/56/90/865085690.db2.gz RNHADEDXAWQMOK-UHFFFAOYSA-N 0 0 416.441 4.099 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H](C2CCCCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000439841153 865153539 /nfs/dbraw/zinc/15/35/39/865153539.db2.gz CNHYHWBDGQYZDH-QGZVFWFLSA-N 0 0 420.453 4.464 20 5 HIBDRN CCCCOc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)c(C)c1 ZINC000439840626 865153823 /nfs/dbraw/zinc/15/38/23/865153823.db2.gz JAEBCTVRIOPNOI-UHFFFAOYSA-N 0 0 415.446 4.058 20 5 HIBDRN Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000439866678 865173398 /nfs/dbraw/zinc/17/33/98/865173398.db2.gz MUONWWXELCXADQ-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2cccc(Br)c2C1 ZINC000439878949 865189543 /nfs/dbraw/zinc/18/95/43/865189543.db2.gz DXOZJOZSRQCKDD-UHFFFAOYSA-N 0 0 420.263 4.346 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000439890403 865203469 /nfs/dbraw/zinc/20/34/69/865203469.db2.gz MWWQPBCPYOSBQN-LBPRGKRZSA-N 0 0 403.439 4.307 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000439903397 865213113 /nfs/dbraw/zinc/21/31/13/865213113.db2.gz PXOSMGQQDMMFCI-UHFFFAOYSA-N 0 0 409.446 4.281 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000439905143 865215573 /nfs/dbraw/zinc/21/55/73/865215573.db2.gz SVMBVAPMBVKZBV-CQSZACIVSA-N 0 0 412.446 4.003 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1-n1nc(C)cc1C ZINC000439926894 865229828 /nfs/dbraw/zinc/22/98/28/865229828.db2.gz IMZFCNMALOAJFY-UHFFFAOYSA-N 0 0 409.446 4.118 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000439938212 865237596 /nfs/dbraw/zinc/23/75/96/865237596.db2.gz ZPKXOACTIXAITC-SFHVURJKSA-N 0 0 423.828 4.391 20 5 HIBDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440032511 865317556 /nfs/dbraw/zinc/31/75/56/865317556.db2.gz XFFJIGPYUPGKDQ-LJQANCHMSA-N 0 0 421.291 4.161 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCc4c[nH]nc4C3)cc2[N+](=O)[O-])cc1 ZINC000468067809 881884638 /nfs/dbraw/zinc/88/46/38/881884638.db2.gz GZCXTZOAWCGXJM-MRXNPFEDSA-N 0 0 408.483 4.065 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCC[C@@H](C)CC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000468070141 881885957 /nfs/dbraw/zinc/88/59/57/881885957.db2.gz HMWAHHOVCSGREU-KGLIPLIRSA-N 0 0 419.503 4.338 20 5 HIBDRN Cc1c(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000440431693 865731969 /nfs/dbraw/zinc/73/19/69/865731969.db2.gz XTZSIQZYPBHPJP-UHFFFAOYSA-N 0 0 424.482 4.116 20 5 HIBDRN O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000468095567 881900638 /nfs/dbraw/zinc/90/06/38/881900638.db2.gz FSZPQHDJTISZIO-UHFFFAOYSA-N 0 0 400.303 4.353 20 5 HIBDRN O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000440472001 865776476 /nfs/dbraw/zinc/77/64/76/865776476.db2.gz SGNPNNQRXWALPZ-UHFFFAOYSA-N 0 0 408.351 4.369 20 5 HIBDRN CCN(CC)C(=O)CCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440475252 865780650 /nfs/dbraw/zinc/78/06/50/865780650.db2.gz FLIPSDBOLHNNAW-UHFFFAOYSA-N 0 0 415.515 4.124 20 5 HIBDRN Cc1nn(CCC(=O)N(C)c2ccc(OCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000440569380 865821732 /nfs/dbraw/zinc/82/17/32/865821732.db2.gz RFZYCRLHBSDIQW-UHFFFAOYSA-N 0 0 408.458 4.040 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc(OC)c1OC ZINC000440609005 865835695 /nfs/dbraw/zinc/83/56/95/865835695.db2.gz JTRXGBVGNBXKJK-UHFFFAOYSA-N 0 0 422.437 4.468 20 5 HIBDRN COCCOc1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000440608023 865835783 /nfs/dbraw/zinc/83/57/83/865835783.db2.gz CLRJIFMOJYIRIM-UHFFFAOYSA-N 0 0 406.438 4.467 20 5 HIBDRN O=C(c1cn2cc(Cl)cc(Cl)c2n1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000440619254 865842227 /nfs/dbraw/zinc/84/22/27/865842227.db2.gz BULKAABBTLTHRO-QGZVFWFLSA-N 0 0 423.281 4.437 20 5 HIBDRN Cc1cc(CSc2ncccc2C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)no1 ZINC000440619268 865842400 /nfs/dbraw/zinc/84/24/00/865842400.db2.gz BWCJIDMUOLTSCA-UHFFFAOYSA-N 0 0 421.438 4.379 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440624673 865844853 /nfs/dbraw/zinc/84/48/53/865844853.db2.gz MPKZCNMHFYBYJR-AWEZNQCLSA-N 0 0 424.526 4.457 20 5 HIBDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000440625971 865845825 /nfs/dbraw/zinc/84/58/25/865845825.db2.gz PTBKFQXRKNNINR-UHFFFAOYSA-N 0 0 416.441 4.598 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000440827237 865942010 /nfs/dbraw/zinc/94/20/10/865942010.db2.gz XHVCMJBOZSNYIY-JOCHJYFZSA-N 0 0 414.433 4.363 20 5 HIBDRN COC(=O)c1ccc(-c2nc(COc3ccc(C(C)=O)cc3[N+](=O)[O-])cs2)cc1 ZINC000440842100 865952616 /nfs/dbraw/zinc/95/26/16/865952616.db2.gz IHYYPSJNWCOFBU-UHFFFAOYSA-N 0 0 412.423 4.287 20 5 HIBDRN Cc1c(CSC(C)C)cccc1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000441021513 866087750 /nfs/dbraw/zinc/08/77/50/866087750.db2.gz BIGWMXPRXWFPSG-UHFFFAOYSA-N 0 0 401.488 4.430 20 5 HIBDRN CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441064619 866148815 /nfs/dbraw/zinc/14/88/15/866148815.db2.gz OLAQKLPFBPXTQS-CQSZACIVSA-N 0 0 402.472 4.158 20 5 HIBDRN O=C(NCCOc1ncccc1F)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441076739 866170751 /nfs/dbraw/zinc/17/07/51/866170751.db2.gz YIMAPVOFDYWPOU-UHFFFAOYSA-N 0 0 413.430 4.089 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000441324631 866396755 /nfs/dbraw/zinc/39/67/55/866396755.db2.gz NZSSDIFXJCXRIN-UHFFFAOYSA-N 0 0 409.364 4.284 20 5 HIBDRN CN(c1ccccc1)c1ccc(CN[C@]2(CO)CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000441328486 866398789 /nfs/dbraw/zinc/39/87/89/866398789.db2.gz ISBNMVUYKJACDE-DEOSSOPVSA-N 0 0 419.481 4.123 20 5 HIBDRN CN(c1ccccc1)c1ccc(CN[C@@]2(CO)CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000441328488 866399120 /nfs/dbraw/zinc/39/91/20/866399120.db2.gz ISBNMVUYKJACDE-XMMPIXPASA-N 0 0 419.481 4.123 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN[C@]3(CO)CCOc4ccccc43)o2)c(Cl)c1 ZINC000441357834 866427209 /nfs/dbraw/zinc/42/72/09/866427209.db2.gz NDQSUCBZGMLCAY-NRFANRHFSA-N 0 0 414.845 4.268 20 5 HIBDRN CCC1(O)CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000441369316 866437880 /nfs/dbraw/zinc/43/78/80/866437880.db2.gz DFLBHZNXXUNZHC-LJQANCHMSA-N 0 0 417.893 4.165 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNCc3ccncc3OCC(F)F)cs2)c1 ZINC000441381262 866452204 /nfs/dbraw/zinc/45/22/04/866452204.db2.gz RQQVTNWVYIUTTF-UHFFFAOYSA-N 0 0 406.414 4.047 20 5 HIBDRN COc1ccc(OCCN2C[C@H](c3ccccc3Cl)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000441388142 866459745 /nfs/dbraw/zinc/45/97/45/866459745.db2.gz RIMNJHLQEZOYOU-JLTOFOAXSA-N 0 0 406.866 4.098 20 5 HIBDRN CC(C)c1ncc(CN(C)C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cn1 ZINC000441398167 866471380 /nfs/dbraw/zinc/47/13/80/866471380.db2.gz VHXGUNJXFLIHSV-MRXNPFEDSA-N 0 0 411.506 4.017 20 5 HIBDRN CC(C)c1ncc(CN(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cn1 ZINC000441422336 866499998 /nfs/dbraw/zinc/49/99/98/866499998.db2.gz PSPSPWISIMZXIM-UHFFFAOYSA-N 0 0 420.469 4.359 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](OC)C[C@@H]2C)cc1 ZINC000441427455 866505482 /nfs/dbraw/zinc/50/54/82/866505482.db2.gz HEWIOEGJLVWZDC-KBXCAEBGSA-N 0 0 400.431 4.035 20 5 HIBDRN CCCN(C(=O)c1cc(N2CCCC2=O)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000441436902 866514172 /nfs/dbraw/zinc/51/41/72/866514172.db2.gz PLPZSOWGRSBZPA-UHFFFAOYSA-N 0 0 401.850 4.432 20 5 HIBDRN C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000441443212 866520597 /nfs/dbraw/zinc/52/05/97/866520597.db2.gz DPZCZERYXYXSNQ-ZDUSSCGKSA-N 0 0 410.337 4.298 20 5 HIBDRN CCCN(C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441450411 866526721 /nfs/dbraw/zinc/52/67/21/866526721.db2.gz REWASTHIRQIRTQ-QZTJIDSGSA-N 0 0 411.502 4.261 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H](C)CO2)c1 ZINC000441459509 866536392 /nfs/dbraw/zinc/53/63/92/866536392.db2.gz BISREDYYQUHTHO-OXJNMPFZSA-N 0 0 408.458 4.224 20 5 HIBDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441504010 866585569 /nfs/dbraw/zinc/58/55/69/866585569.db2.gz VLWLVRMIPQBGQP-FQEVSTJZSA-N 0 0 410.499 4.058 20 5 HIBDRN CSc1cccc(C(=O)N2CCOc3c(Br)cccc32)c1[N+](=O)[O-] ZINC000441528163 866603530 /nfs/dbraw/zinc/60/35/30/866603530.db2.gz YMTUPIVZMOHSPF-UHFFFAOYSA-N 0 0 409.261 4.118 20 5 HIBDRN COC[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C1CC1 ZINC000441559075 866633804 /nfs/dbraw/zinc/63/38/04/866633804.db2.gz QKZXAQBTOBUGMH-HNNXBMFYSA-N 0 0 420.849 4.204 20 5 HIBDRN COc1ccc(NC(C)=O)cc1N(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000441616722 866714747 /nfs/dbraw/zinc/71/47/47/866714747.db2.gz YKEIPDMNDGQMLJ-CYBMUJFWSA-N 0 0 417.437 4.246 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441796842 866865689 /nfs/dbraw/zinc/86/56/89/866865689.db2.gz AFXMXDQNQVLNRF-ZIAGYGMSSA-N 0 0 421.881 4.103 20 5 HIBDRN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000441842561 866901054 /nfs/dbraw/zinc/90/10/54/866901054.db2.gz ZIYKWHLMSQOFHA-HXUWFJFHSA-N 0 0 415.465 4.097 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000442073983 867104995 /nfs/dbraw/zinc/10/49/95/867104995.db2.gz QGFDSGYVKCISPW-MRXNPFEDSA-N 0 0 419.865 4.099 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)ccc1C ZINC000468173154 882050812 /nfs/dbraw/zinc/05/08/12/882050812.db2.gz GPJHCBNXQRGYKF-UHFFFAOYSA-N 0 0 422.890 4.142 20 5 HIBDRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000442128394 867151078 /nfs/dbraw/zinc/15/10/78/867151078.db2.gz PADQFSACCDFZNS-BZNIZROVSA-N 0 0 405.838 4.088 20 5 HIBDRN CC[C@@H](C)[C@@H](NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000442173327 867196757 /nfs/dbraw/zinc/19/67/57/867196757.db2.gz PGTSMRPRFOJGJQ-KZULUSFZSA-N 0 0 403.866 4.399 20 5 HIBDRN CCc1c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000468184523 882060434 /nfs/dbraw/zinc/06/04/34/882060434.db2.gz VYLPGKIKCJBZFQ-UHFFFAOYSA-N 0 0 414.849 4.404 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1nc(-c2ccccc2F)cs1 ZINC000468194447 882071740 /nfs/dbraw/zinc/07/17/40/882071740.db2.gz GHVWWHJZURLCTE-UHFFFAOYSA-N 0 0 410.430 4.198 20 5 HIBDRN Cc1c(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)sc2ccc(Cl)cc12 ZINC000442585486 867545675 /nfs/dbraw/zinc/54/56/75/867545675.db2.gz YZKUYRJVNLCYEX-UHFFFAOYSA-N 0 0 403.847 4.026 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCc1nc(C2(c3cccc(Br)c3)CC2)no1 ZINC000442605215 867555208 /nfs/dbraw/zinc/55/52/08/867555208.db2.gz ZVQQJEOZRFVHLZ-UHFFFAOYSA-N 0 0 415.247 4.432 20 5 HIBDRN COc1ccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1O ZINC000442633097 867575858 /nfs/dbraw/zinc/57/58/58/867575858.db2.gz HSTSORMROOMGFO-UHFFFAOYSA-N 0 0 410.451 4.390 20 5 HIBDRN O=C(NC[C@@H](CO)Cc1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442714093 867642861 /nfs/dbraw/zinc/64/28/61/867642861.db2.gz KSPOBBWDMUZVDW-SFHVURJKSA-N 0 0 422.506 4.327 20 5 HIBDRN Cc1ccc(C[C@H](CO)NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 ZINC000442764077 867667654 /nfs/dbraw/zinc/66/76/54/867667654.db2.gz FCPVNAXGEQNUHD-GOSISDBHSA-N 0 0 422.506 4.388 20 5 HIBDRN O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442812942 867685083 /nfs/dbraw/zinc/68/50/83/867685083.db2.gz SAFFYIUCPITYRU-AWEZNQCLSA-N 0 0 424.482 4.615 20 5 HIBDRN Cn1c(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])nnc1C1CCC1 ZINC000442882283 867714859 /nfs/dbraw/zinc/71/48/59/867714859.db2.gz QGYPQDNJENFPGC-UHFFFAOYSA-N 0 0 423.498 4.072 20 5 HIBDRN CC(C)c1ncc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cn1 ZINC000442975545 867772640 /nfs/dbraw/zinc/77/26/40/867772640.db2.gz RMMOJEYAPPMASC-UHFFFAOYSA-N 0 0 422.435 4.145 20 5 HIBDRN O=C(Nc1ccc(Oc2cccc(F)c2)c(Br)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000442974809 867773052 /nfs/dbraw/zinc/77/30/52/867773052.db2.gz IMOHWTSAKQFYEC-UHFFFAOYSA-N 0 0 421.182 4.264 20 5 HIBDRN CC(C)(C)c1nc(CS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cs1 ZINC000443211905 867876784 /nfs/dbraw/zinc/87/67/84/867876784.db2.gz ZUOPHIZTRJKEFV-UHFFFAOYSA-N 0 0 419.322 4.085 20 5 HIBDRN COc1ccc(-c2nc(C)c(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)s2)c(F)c1 ZINC000443460292 868050670 /nfs/dbraw/zinc/05/06/70/868050670.db2.gz KSCYDWZZUATAPA-UHFFFAOYSA-N 0 0 413.430 4.377 20 5 HIBDRN C[C@@H](Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000443474662 868061342 /nfs/dbraw/zinc/06/13/42/868061342.db2.gz JRNADERUNYKMIJ-VIFPVBQESA-N 0 0 405.170 4.342 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(OC(F)(F)F)cc1O ZINC000443560596 868114416 /nfs/dbraw/zinc/11/44/16/868114416.db2.gz RBQBPDWRJGGNJT-UHFFFAOYSA-N 0 0 420.727 4.260 20 5 HIBDRN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccn(-c4c(F)cccc4F)n3)CC2)cc1 ZINC000443612706 868179302 /nfs/dbraw/zinc/17/93/02/868179302.db2.gz GTSWXIVIMGWGDK-UHFFFAOYSA-N 0 0 414.412 4.102 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1csc(Br)c1)C1CC1 ZINC000443637037 868218722 /nfs/dbraw/zinc/21/87/22/868218722.db2.gz FEHMZZORJXIHAR-UHFFFAOYSA-N 0 0 424.320 4.330 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443648540 868240287 /nfs/dbraw/zinc/24/02/87/868240287.db2.gz YYXDTGWLZJOVOC-KBPBESRZSA-N 0 0 412.421 4.082 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000443670517 868275466 /nfs/dbraw/zinc/27/54/66/868275466.db2.gz VIPZLJAKCYEKPA-UHFFFAOYSA-N 0 0 415.421 4.311 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1 ZINC000443688859 868290522 /nfs/dbraw/zinc/29/05/22/868290522.db2.gz VYESMHYUNNNGOY-UHFFFAOYSA-N 0 0 414.405 4.108 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000443689616 868292286 /nfs/dbraw/zinc/29/22/86/868292286.db2.gz XYIREESUKNJSKP-HXUWFJFHSA-N 0 0 416.886 4.457 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H](CCc2ccccc2)c2ccccc2)c1 ZINC000443690747 868292761 /nfs/dbraw/zinc/29/27/61/868292761.db2.gz FIKABGZWYLBYDA-QFIPXVFZSA-N 0 0 410.495 4.388 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000443700597 868295457 /nfs/dbraw/zinc/29/54/57/868295457.db2.gz TXMKMLRSHPBZGK-UHFFFAOYSA-N 0 0 418.421 4.082 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c1 ZINC000443702413 868297166 /nfs/dbraw/zinc/29/71/66/868297166.db2.gz JKKNUQUPCFKRPZ-FQEVSTJZSA-N 0 0 416.886 4.457 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCC(c2ccccc2)c2ccccc2)c1 ZINC000443712121 868300032 /nfs/dbraw/zinc/30/00/32/868300032.db2.gz UECLPCROJZANQL-UHFFFAOYSA-N 0 0 410.495 4.236 20 5 HIBDRN CCOc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443752074 868323246 /nfs/dbraw/zinc/32/32/46/868323246.db2.gz BXCYKXIYQPBGDK-LJQANCHMSA-N 0 0 406.504 4.200 20 5 HIBDRN C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1c(Cl)cccc1Cl ZINC000443786440 868331068 /nfs/dbraw/zinc/33/10/68/868331068.db2.gz WNSFGGNBGILSOD-LLVKDONJSA-N 0 0 403.287 4.125 20 5 HIBDRN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000443796433 868336018 /nfs/dbraw/zinc/33/60/18/868336018.db2.gz AYKUAZFYUSBOFX-UHFFFAOYSA-N 0 0 415.453 4.293 20 5 HIBDRN CCCOc1ccc(CCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 ZINC000443828208 868359914 /nfs/dbraw/zinc/35/99/14/868359914.db2.gz NZJBTXCEJNZCAR-UHFFFAOYSA-N 0 0 400.431 4.116 20 5 HIBDRN Cc1nc(C2CCCC2)sc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000443831919 868362609 /nfs/dbraw/zinc/36/26/09/868362609.db2.gz ZASGSTFZTFQXLL-UHFFFAOYSA-N 0 0 403.460 4.431 20 5 HIBDRN COc1ccc(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000443860099 868392379 /nfs/dbraw/zinc/39/23/79/868392379.db2.gz OUPPWOFWVWKISL-AWEZNQCLSA-N 0 0 406.719 4.429 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000443870597 868402693 /nfs/dbraw/zinc/40/26/93/868402693.db2.gz ULFMCHPRSGAGRF-INIZCTEOSA-N 0 0 408.376 4.435 20 5 HIBDRN CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000443876110 868407539 /nfs/dbraw/zinc/40/75/39/868407539.db2.gz NCSQIGKSWFLTOT-UHFFFAOYSA-N 0 0 415.755 4.221 20 5 HIBDRN O=C(Nc1nc2ccc(F)cn2n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000443919571 868456403 /nfs/dbraw/zinc/45/64/03/868456403.db2.gz ABXNDAQWCZGSDI-UHFFFAOYSA-N 0 0 409.402 4.180 20 5 HIBDRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000443944225 868480438 /nfs/dbraw/zinc/48/04/38/868480438.db2.gz GJVKYHIKFIJDSP-LJQANCHMSA-N 0 0 413.474 4.433 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000443943761 868480495 /nfs/dbraw/zinc/48/04/95/868480495.db2.gz DVTPDCZUDGEPBM-UHFFFAOYSA-N 0 0 411.245 4.279 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000443951449 868486922 /nfs/dbraw/zinc/48/69/22/868486922.db2.gz XTDJEKYXHBPQLK-UHFFFAOYSA-N 0 0 401.810 4.237 20 5 HIBDRN COCCOc1ccc([C@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1OC ZINC000443950449 868486988 /nfs/dbraw/zinc/48/69/88/868486988.db2.gz VCMXGRVGFDEXBJ-HNNXBMFYSA-N 0 0 417.462 4.128 20 5 HIBDRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000443954321 868489864 /nfs/dbraw/zinc/48/98/64/868489864.db2.gz AGIIVTLUPYLYOC-KRWDZBQOSA-N 0 0 402.878 4.421 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000443957855 868492307 /nfs/dbraw/zinc/49/23/07/868492307.db2.gz FEVZIHNPZLVAEW-UHFFFAOYSA-N 0 0 416.821 4.094 20 5 HIBDRN CCOC(=O)C[C@@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000443961447 868494960 /nfs/dbraw/zinc/49/49/60/868494960.db2.gz PSQAYNQZNKRHIS-MRXNPFEDSA-N 0 0 403.410 4.167 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H](c4nccn4C)C3)c([N+](=O)[O-])c2)cc1 ZINC000443965325 868497799 /nfs/dbraw/zinc/49/77/99/868497799.db2.gz RAONOJDNIGQFGJ-GOSISDBHSA-N 0 0 419.485 4.273 20 5 HIBDRN COc1cc([C@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000443966588 868499276 /nfs/dbraw/zinc/49/92/76/868499276.db2.gz WWZCEKIBBBBNTH-ZDUSSCGKSA-N 0 0 403.435 4.120 20 5 HIBDRN CCOc1cc(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)c([N+](=O)[O-])cc1OC ZINC000443969064 868500874 /nfs/dbraw/zinc/50/08/74/868500874.db2.gz RCIZNIXOEFJWKB-NSHDSACASA-N 0 0 406.822 4.083 20 5 HIBDRN CCOc1ccc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)cc1[N+](=O)[O-] ZINC000443977638 868506233 /nfs/dbraw/zinc/50/62/33/868506233.db2.gz JCHOWDICSSFKKM-UHFFFAOYSA-N 0 0 416.484 4.486 20 5 HIBDRN Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000443981873 868507260 /nfs/dbraw/zinc/50/72/60/868507260.db2.gz GBYJVOGHXKBUPV-AWEZNQCLSA-N 0 0 402.394 4.184 20 5 HIBDRN CCc1nc([C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cs1 ZINC000444005269 868528117 /nfs/dbraw/zinc/52/81/17/868528117.db2.gz QCHKPXVKKITYEX-JTQLQIEISA-N 0 0 413.449 4.469 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cn1 ZINC000444008167 868530700 /nfs/dbraw/zinc/53/07/00/868530700.db2.gz DWPZDFFDLCJTMQ-UHFFFAOYSA-N 0 0 423.419 4.073 20 5 HIBDRN CS[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444019218 868544064 /nfs/dbraw/zinc/54/40/64/868544064.db2.gz HUIDMJGRUXBDHV-UONOGXRCSA-N 0 0 402.466 4.364 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000444034605 868569320 /nfs/dbraw/zinc/56/93/20/868569320.db2.gz PMIIQERGKAMNQA-MRXNPFEDSA-N 0 0 402.813 4.192 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000444044891 868581567 /nfs/dbraw/zinc/58/15/67/868581567.db2.gz LNDXGVSABPZWSR-UHFFFAOYSA-N 0 0 408.336 4.080 20 5 HIBDRN O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444075809 868604244 /nfs/dbraw/zinc/60/42/44/868604244.db2.gz QCJBBRUQJJDPAT-VBKZILBWSA-N 0 0 404.416 4.321 20 5 HIBDRN O=C(NCC1(c2cccc(F)c2)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444079076 868604830 /nfs/dbraw/zinc/60/48/30/868604830.db2.gz XDIXZVBETOGGLX-UHFFFAOYSA-N 0 0 404.416 4.421 20 5 HIBDRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1(C)C ZINC000444080540 868607052 /nfs/dbraw/zinc/60/70/52/868607052.db2.gz IYOBEUDIHUJFJZ-RTBURBONSA-N 0 0 414.452 4.235 20 5 HIBDRN CC[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Oc1ccccc1F ZINC000444100160 868616927 /nfs/dbraw/zinc/61/69/27/868616927.db2.gz FVIJHKQMCFMUJD-MRXNPFEDSA-N 0 0 404.441 4.408 20 5 HIBDRN CCN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H](COC)Cc1ccccc1 ZINC000444106014 868621324 /nfs/dbraw/zinc/62/13/24/868621324.db2.gz MTKIANNZDYGPOW-HXUWFJFHSA-N 0 0 414.505 4.401 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(F)cc(F)c1Br ZINC000468288124 882211529 /nfs/dbraw/zinc/21/15/29/882211529.db2.gz SXRWTMNTGVRNHN-UHFFFAOYSA-N 0 0 410.174 4.229 20 5 HIBDRN O=C(Nc1cc(C2CCCCC2)[nH]n1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444172437 868648963 /nfs/dbraw/zinc/64/89/63/868648963.db2.gz AKGMNIOMIMQZDM-UHFFFAOYSA-N 0 0 422.435 4.983 20 5 HIBDRN COc1cccc2c1CC[C@@H]2NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444225872 868676443 /nfs/dbraw/zinc/67/64/43/868676443.db2.gz NNUBJVFGMYOXIO-IBGZPJMESA-N 0 0 420.415 4.385 20 5 HIBDRN O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444233918 868681832 /nfs/dbraw/zinc/68/18/32/868681832.db2.gz CLVXUULRYVHQKJ-HNNXBMFYSA-N 0 0 412.436 4.181 20 5 HIBDRN C[C@H](Cc1cccc(O)c1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444243647 868692565 /nfs/dbraw/zinc/69/25/65/868692565.db2.gz HOFOTHFLYKCHAQ-GFCCVEGCSA-N 0 0 408.404 4.026 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cs1 ZINC000444244932 868693909 /nfs/dbraw/zinc/69/39/09/868693909.db2.gz RZLOQLPNWFBZRS-STQMWFEESA-N 0 0 417.491 4.392 20 5 HIBDRN CS[C@H]1CCCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444254843 868700520 /nfs/dbraw/zinc/70/05/20/868700520.db2.gz VMQSCNYYAKANDQ-AWEZNQCLSA-N 0 0 402.466 4.317 20 5 HIBDRN CCc1n[nH]c(C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1[N+](=O)[O-] ZINC000444259390 868704679 /nfs/dbraw/zinc/70/46/79/868704679.db2.gz KWVHKGQFMKYGJZ-AWEZNQCLSA-N 0 0 408.458 4.389 20 5 HIBDRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444282847 868711625 /nfs/dbraw/zinc/71/16/25/868711625.db2.gz CBPRMJRGRWYKPH-QKFKETGDSA-N 0 0 404.441 4.326 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000444282255 868712555 /nfs/dbraw/zinc/71/25/55/868712555.db2.gz ABZZDTSAOHAZTJ-OAHLLOKOSA-N 0 0 418.468 4.438 20 5 HIBDRN C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1[N+](=O)[O-] ZINC000444284854 868713581 /nfs/dbraw/zinc/71/35/81/868713581.db2.gz GDOUUIJGKSRMIP-GFCCVEGCSA-N 0 0 405.385 4.220 20 5 HIBDRN O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444285234 868713885 /nfs/dbraw/zinc/71/38/85/868713885.db2.gz GPTFRHUIRBOPFI-KRWDZBQOSA-N 0 0 415.468 4.219 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444285236 868714223 /nfs/dbraw/zinc/71/42/23/868714223.db2.gz GPTFRHUIRBOPFI-QGZVFWFLSA-N 0 0 415.468 4.219 20 5 HIBDRN CC(C)(C)Oc1cccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)n1 ZINC000444293257 868722054 /nfs/dbraw/zinc/72/20/54/868722054.db2.gz WFSCHCJEUOSVQK-UHFFFAOYSA-N 0 0 419.456 4.323 20 5 HIBDRN Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)nn1[C@@H](C)C1CC1 ZINC000444301298 868732987 /nfs/dbraw/zinc/73/29/87/868732987.db2.gz LSMLZVSXVKBDSB-LBPRGKRZSA-N 0 0 422.435 4.688 20 5 HIBDRN Cn1c(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)nc2c1cccc2Cl ZINC000444307658 868739484 /nfs/dbraw/zinc/73/94/84/868739484.db2.gz AJRHWSJSFSGSSX-UHFFFAOYSA-N 0 0 402.841 4.474 20 5 HIBDRN CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444314599 868745340 /nfs/dbraw/zinc/74/53/40/868745340.db2.gz JAXZSGMTNCTEGV-IBGZPJMESA-N 0 0 411.505 4.422 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)cc1[N+](=O)[O-] ZINC000444318817 868747078 /nfs/dbraw/zinc/74/70/78/868747078.db2.gz OLTRCTVZGPJZHU-UHFFFAOYSA-N 0 0 413.377 4.059 20 5 HIBDRN CC1(C)CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC2(CCCC2)O1 ZINC000468300133 882222795 /nfs/dbraw/zinc/22/27/95/882222795.db2.gz YPJIYFPRODOFRV-UHFFFAOYSA-N 0 0 404.510 4.105 20 5 HIBDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000444347801 868779915 /nfs/dbraw/zinc/77/99/15/868779915.db2.gz WNPCMWJECLHQNF-UHFFFAOYSA-N 0 0 413.474 4.169 20 5 HIBDRN CCc1n[nH]c(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)c1[N+](=O)[O-] ZINC000444367508 868793134 /nfs/dbraw/zinc/79/31/34/868793134.db2.gz INRCMACOTQFHFF-RXVVDRJESA-N 0 0 420.469 4.260 20 5 HIBDRN CCc1[nH]nc(C(=O)N2CCCc3cc(N4CCCC[C@@H]4CC)ccc32)c1[N+](=O)[O-] ZINC000444370590 868796584 /nfs/dbraw/zinc/79/65/84/868796584.db2.gz ZYZDCLBORRQPPL-INIZCTEOSA-N 0 0 411.506 4.242 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000444409633 868815221 /nfs/dbraw/zinc/81/52/21/868815221.db2.gz KMDYAUKHWOXJDZ-ACJLOTCBSA-N 0 0 406.891 4.329 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Nc2ncccn2)cc1 ZINC000444418188 868820919 /nfs/dbraw/zinc/82/09/19/868820919.db2.gz UCAFTKBZWHYZFX-GFCCVEGCSA-N 0 0 413.821 4.188 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(C)(F)F)c2)ccc1[N+](=O)[O-] ZINC000444440805 868829257 /nfs/dbraw/zinc/82/92/57/868829257.db2.gz CNVAVQSIRCWGCM-SFHVURJKSA-N 0 0 417.412 4.258 20 5 HIBDRN Cn1cc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc21 ZINC000444442232 868829869 /nfs/dbraw/zinc/82/98/69/868829869.db2.gz VWBLSNZDKGPEET-UHFFFAOYSA-N 0 0 406.269 4.295 20 5 HIBDRN CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(OCc2ccccc2)cc1 ZINC000444462282 868838200 /nfs/dbraw/zinc/83/82/00/868838200.db2.gz FBASGRPBVIECMA-UHFFFAOYSA-N 0 0 420.421 4.222 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000444555225 868880061 /nfs/dbraw/zinc/88/00/61/868880061.db2.gz SOYFMENRTQUOIO-OALUTQOASA-N 0 0 413.518 4.339 20 5 HIBDRN Cc1cccc2nc(C3CCN(C(=O)Cn4ccc5cc([N+](=O)[O-])ccc54)CC3)oc21 ZINC000444562920 868884185 /nfs/dbraw/zinc/88/41/85/868884185.db2.gz ORWRDNMBULVVMZ-UHFFFAOYSA-N 0 0 418.453 4.405 20 5 HIBDRN C[C@H](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000444630285 868919519 /nfs/dbraw/zinc/91/95/19/868919519.db2.gz GFEYNEBWJZZQQH-LLVKDONJSA-N 0 0 406.364 4.300 20 5 HIBDRN O=C(CCc1ccc(-c2ccccc2F)o1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444631453 868920040 /nfs/dbraw/zinc/92/00/40/868920040.db2.gz LYYSYEFXVRYYQJ-UHFFFAOYSA-N 0 0 408.389 4.119 20 5 HIBDRN COc1cc(-c2ccccc2)sc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444640673 868926531 /nfs/dbraw/zinc/92/65/31/868926531.db2.gz DKHOVIXBWZRCAF-UHFFFAOYSA-N 0 0 408.439 4.138 20 5 HIBDRN O=C(CSc1cc(Cl)ccc1Cl)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444647733 868928836 /nfs/dbraw/zinc/92/88/36/868928836.db2.gz VZVHNZMQJWAWIF-UHFFFAOYSA-N 0 0 411.270 4.186 20 5 HIBDRN O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444705193 868965042 /nfs/dbraw/zinc/96/50/42/868965042.db2.gz MHGVLPZNVKZARA-UHFFFAOYSA-N 0 0 408.417 4.096 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000444741234 868984159 /nfs/dbraw/zinc/98/41/59/868984159.db2.gz XWDITOFDYYIXTK-UHFFFAOYSA-N 0 0 401.507 4.405 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1[N+](=O)[O-] ZINC000444754790 868987142 /nfs/dbraw/zinc/98/71/42/868987142.db2.gz BSEYCXKQEBZSNP-CYBMUJFWSA-N 0 0 408.739 4.267 20 5 HIBDRN Cc1cccc2nc(C3CCN([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)oc21 ZINC000444763320 868990693 /nfs/dbraw/zinc/99/06/93/868990693.db2.gz CVUQFFHDSRKIAQ-HNNXBMFYSA-N 0 0 408.458 4.251 20 5 HIBDRN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000444814247 869026200 /nfs/dbraw/zinc/02/62/00/869026200.db2.gz SUIBIEOXHFIYIH-BZNIZROVSA-N 0 0 422.762 4.020 20 5 HIBDRN O=C(NCCCCOc1ccc(F)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444831095 869038325 /nfs/dbraw/zinc/03/83/25/869038325.db2.gz AGOYUIOZEUBFDO-UHFFFAOYSA-N 0 0 404.441 4.409 20 5 HIBDRN CC(C)C(=O)Nc1ccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000444831560 869038419 /nfs/dbraw/zinc/03/84/19/869038419.db2.gz CNZBZDLLJVPRCX-UHFFFAOYSA-N 0 0 413.477 4.206 20 5 HIBDRN CN(C)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccccc1Cl ZINC000444834212 869040908 /nfs/dbraw/zinc/04/09/08/869040908.db2.gz JWFZGHUBMWWXKV-OAQYLSRUSA-N 0 0 419.912 4.367 20 5 HIBDRN O=C(NC1CC1)c1ccc(N2CCn3c(cc4c3cccc4Cl)C2)c([N+](=O)[O-])c1 ZINC000444865507 869065843 /nfs/dbraw/zinc/06/58/43/869065843.db2.gz OKPJTNXPVCQUPS-UHFFFAOYSA-N 0 0 410.861 4.115 20 5 HIBDRN C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1Cl ZINC000444880870 869075099 /nfs/dbraw/zinc/07/50/99/869075099.db2.gz CZFPKACKKLFVFK-VIFPVBQESA-N 0 0 408.245 4.338 20 5 HIBDRN C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000444886362 869077276 /nfs/dbraw/zinc/07/72/76/869077276.db2.gz PKLOVQQNPRWHOS-SNVBAGLBSA-N 0 0 407.352 4.050 20 5 HIBDRN C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(C(F)(F)F)c1 ZINC000444891538 869078743 /nfs/dbraw/zinc/07/87/43/869078743.db2.gz WRTKDDVGMXUJCQ-JTQLQIEISA-N 0 0 407.352 4.050 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cc(Oc2ccc(F)cc2)ccn1 ZINC000444893884 869080916 /nfs/dbraw/zinc/08/09/16/869080916.db2.gz HJYGDLDNVNTRJS-UHFFFAOYSA-N 0 0 412.377 4.252 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000444894684 869081977 /nfs/dbraw/zinc/08/19/77/869081977.db2.gz AOMQZULHQGEAKA-UHFFFAOYSA-N 0 0 419.235 4.169 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000444900078 869087410 /nfs/dbraw/zinc/08/74/10/869087410.db2.gz RVNKKGLHMUGKOK-CYBMUJFWSA-N 0 0 416.503 4.350 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000444903662 869090854 /nfs/dbraw/zinc/09/08/54/869090854.db2.gz NVUCJJHGZJJPGW-UHFFFAOYSA-N 0 0 424.226 4.095 20 5 HIBDRN CC(C)Oc1c(Cl)cccc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444904729 869092422 /nfs/dbraw/zinc/09/24/22/869092422.db2.gz RYQWANADMRYONF-UHFFFAOYSA-N 0 0 403.826 4.233 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000444915182 869101466 /nfs/dbraw/zinc/10/14/66/869101466.db2.gz VAUZUSJJFCPPHW-UHFFFAOYSA-N 0 0 410.430 4.355 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@H]1O ZINC000468329763 882262480 /nfs/dbraw/zinc/26/24/80/882262480.db2.gz SVHXRWKFQUNNFY-SJKOYZFVSA-N 0 0 406.891 4.242 20 5 HIBDRN CN(C)c1cc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c2ccccc2n1 ZINC000444999805 869154340 /nfs/dbraw/zinc/15/43/40/869154340.db2.gz MFVRTRGICDNTPJ-UHFFFAOYSA-N 0 0 422.488 4.226 20 5 HIBDRN COc1ccc(C[C@@H](C)NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1OC ZINC000445015859 869166286 /nfs/dbraw/zinc/16/62/86/869166286.db2.gz ZRWLQITWYUZVIC-OAHLLOKOSA-N 0 0 416.477 4.060 20 5 HIBDRN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445017114 869167585 /nfs/dbraw/zinc/16/75/85/869167585.db2.gz FYKWICACISEBNG-CQSZACIVSA-N 0 0 407.426 4.204 20 5 HIBDRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000445130554 869232917 /nfs/dbraw/zinc/23/29/17/869232917.db2.gz BXHBJEQTOAVZRY-OWJWWREXSA-N 0 0 416.477 4.196 20 5 HIBDRN C[C@@H]1C[C@H]1[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1 ZINC000445143458 869240741 /nfs/dbraw/zinc/24/07/41/869240741.db2.gz RMIIEUHODJSNPW-VWCVUJCZSA-N 0 0 413.865 4.321 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)cc2Cl)cc1[N+](=O)[O-] ZINC000445148107 869242764 /nfs/dbraw/zinc/24/27/64/869242764.db2.gz ZIDFPTIVEOCDPK-ZDUSSCGKSA-N 0 0 419.865 4.160 20 5 HIBDRN O=C(N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445149418 869243696 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ZINC000445348654 869413427 /nfs/dbraw/zinc/41/34/27/869413427.db2.gz FOEBOMFXBVOXBE-UHFFFAOYSA-N 0 0 402.410 4.097 20 5 HIBDRN Cc1cc(-c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)cc([N+](=O)[O-])c1 ZINC000445363769 869430393 /nfs/dbraw/zinc/43/03/93/869430393.db2.gz GBFAPTSRFAQVHP-UHFFFAOYSA-N 0 0 407.213 4.441 20 5 HIBDRN O=C(Cc1noc(COc2ccccc2[N+](=O)[O-])n1)Nc1ccc(Cl)cc1Cl ZINC000445369087 869440572 /nfs/dbraw/zinc/44/05/72/869440572.db2.gz SHCPEHULVFFVSO-UHFFFAOYSA-N 0 0 423.212 4.045 20 5 HIBDRN O=C(Cc1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1)Nc1ccc(Cl)cc1Cl ZINC000445371994 869445224 /nfs/dbraw/zinc/44/52/24/869445224.db2.gz NOTXUAQULDEJEI-UHFFFAOYSA-N 0 0 411.176 4.272 20 5 HIBDRN CCCNC(=O)Cc1noc(-c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 ZINC000445402563 869486768 /nfs/dbraw/zinc/48/67/68/869486768.db2.gz OOONNGQHKNWGMI-UHFFFAOYSA-N 0 0 412.471 4.173 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1-c1nc(CC(=O)Nc2ccccc2C(F)(F)F)no1 ZINC000445417787 869500394 /nfs/dbraw/zinc/50/03/94/869500394.db2.gz MZMKIUXVRBWLNK-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN CC(C)(C)c1csc(NC(=O)Cc2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)n1 ZINC000445418889 869501985 /nfs/dbraw/zinc/50/19/85/869501985.db2.gz OWYSPOUYKQUJTD-HJWRWDBZSA-N 0 0 413.459 4.083 20 5 HIBDRN CCOc1cc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1O ZINC000445432141 869517101 /nfs/dbraw/zinc/51/71/01/869517101.db2.gz RKLIXEMJZORIAK-UHFFFAOYSA-N 0 0 405.794 4.024 20 5 HIBDRN CC(C)CCSc1ccc(-c2nc(CC(=O)NCC(C)C)no2)cc1[N+](=O)[O-] ZINC000445433153 869517973 /nfs/dbraw/zinc/51/79/73/869517973.db2.gz ABBHIZXVGHLKMF-UHFFFAOYSA-N 0 0 406.508 4.098 20 5 HIBDRN COc1cc(OC)cc(-c2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000445450490 869530107 /nfs/dbraw/zinc/53/01/07/869530107.db2.gz UDLOEAREUVMRAA-SNVBAGLBSA-N 0 0 405.794 4.455 20 5 HIBDRN COc1cc(OC)cc(-c2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000445450489 869530112 /nfs/dbraw/zinc/53/01/12/869530112.db2.gz UDLOEAREUVMRAA-JTQLQIEISA-N 0 0 405.794 4.455 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(-c3cnc4c(cnn4Cc4ccccc4)c3)n2)s1 ZINC000445471308 869545186 /nfs/dbraw/zinc/54/51/86/869545186.db2.gz LOLPOPPCFUVCIB-UHFFFAOYSA-N 0 0 404.411 4.166 20 5 HIBDRN Cc1c(Br)cc(-c2nc([C@H]3COc4ccccc4O3)no2)cc1[N+](=O)[O-] ZINC000445483072 869554181 /nfs/dbraw/zinc/55/41/81/869554181.db2.gz UZCIFUDKASKXDG-OAHLLOKOSA-N 0 0 418.203 4.228 20 5 HIBDRN Cc1ccc(NC(=O)CS[C@H](C)c2nc(-c3ccc([N+](=O)[O-])s3)no2)cc1 ZINC000445482541 869554499 /nfs/dbraw/zinc/55/44/99/869554499.db2.gz QLDHUGVAXSUTQD-LLVKDONJSA-N 0 0 404.473 4.448 20 5 HIBDRN Cc1c2ccccc2oc1-c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000445488557 869558123 /nfs/dbraw/zinc/55/81/23/869558123.db2.gz CYRBINFZXGUPMM-UHFFFAOYSA-N 0 0 410.411 4.091 20 5 HIBDRN CCCOc1ccc([C@@H](C)NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000445495427 869563572 /nfs/dbraw/zinc/56/35/72/869563572.db2.gz VRSHOXXTOFZOMY-OAHLLOKOSA-N 0 0 413.474 4.221 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000445503724 869568198 /nfs/dbraw/zinc/56/81/98/869568198.db2.gz NCZYAJSSLNJYGC-OAQYLSRUSA-N 0 0 409.417 4.331 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(OC(F)F)cc1 ZINC000445513450 869575314 /nfs/dbraw/zinc/57/53/14/869575314.db2.gz FWWHORSTIRPGDU-UHFFFAOYSA-N 0 0 401.163 4.140 20 5 HIBDRN C/C=C/c1ccc(OCc2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)c(OC)c1 ZINC000445572941 869633562 /nfs/dbraw/zinc/63/35/62/869633562.db2.gz GQOQSGHMGDIRDH-SNAWJCMRSA-N 0 0 411.414 4.198 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cnn(CC(C)C)c3C(F)F)n2)c1 ZINC000445574158 869633786 /nfs/dbraw/zinc/63/37/86/869633786.db2.gz KOTFWCXFRMDHEU-UHFFFAOYSA-N 0 0 407.377 4.034 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cccc(OCC(F)(F)F)c3)n2)c1 ZINC000445574733 869635219 /nfs/dbraw/zinc/63/52/19/869635219.db2.gz NGEKESWIYNRWKU-UHFFFAOYSA-N 0 0 409.320 4.185 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3csc(-c4cccs4)n3)n2)c1 ZINC000445574970 869635267 /nfs/dbraw/zinc/63/52/67/869635267.db2.gz NTEATVLIBWOMOK-UHFFFAOYSA-N 0 0 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ZINC000447326802 871216519 /nfs/dbraw/zinc/21/65/19/871216519.db2.gz SPCQZIKYEHUXLI-UHFFFAOYSA-N 0 0 408.483 4.343 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1SCc1noc(-c2ccccc2O)n1 ZINC000447353477 871258360 /nfs/dbraw/zinc/25/83/60/871258360.db2.gz FUTYOBITJNXKMX-UHFFFAOYSA-N 0 0 408.233 4.405 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000447358040 871263150 /nfs/dbraw/zinc/26/31/50/871263150.db2.gz XOGDKZWHSYVDQS-NSHDSACASA-N 0 0 410.257 4.334 20 5 HIBDRN COC(=O)[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1Cl ZINC000447397988 871308198 /nfs/dbraw/zinc/30/81/98/871308198.db2.gz PZULKMRXFHBSST-HNNXBMFYSA-N 0 0 402.756 4.271 20 5 HIBDRN C[C@@H](Oc1cc(Br)cc(F)c1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000447413528 871321894 /nfs/dbraw/zinc/32/18/94/871321894.db2.gz PHIIUUHGPLCYLO-MRVPVSSYSA-N 0 0 401.163 4.042 20 5 HIBDRN Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000447426617 871331754 /nfs/dbraw/zinc/33/17/54/871331754.db2.gz MUKJSTOLFKZBDF-HNNXBMFYSA-N 0 0 423.391 4.268 20 5 HIBDRN O=C(NCc1nc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1)c1ccccc1 ZINC000447585931 871494752 /nfs/dbraw/zinc/49/47/52/871494752.db2.gz KXUIKYCFGYPIGN-HXUWFJFHSA-N 0 0 422.510 4.149 20 5 HIBDRN O=C(NCc1ccccc1)c1cccc(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447602435 871511284 /nfs/dbraw/zinc/51/12/84/871511284.db2.gz SNPNBMVNCUYGQA-NHCUHLMSSA-N 0 0 419.485 4.317 20 5 HIBDRN Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000447651637 871576742 /nfs/dbraw/zinc/57/67/42/871576742.db2.gz HTHSTXKILVHVRS-IBGZPJMESA-N 0 0 408.414 4.224 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCO[C@H](Cc2ccccc2)C1 ZINC000447671434 871603810 /nfs/dbraw/zinc/60/38/10/871603810.db2.gz QGSQVNSDXQKEJM-CYBMUJFWSA-N 0 0 417.334 4.092 20 5 HIBDRN O=C(c1cc(N2CCn3c(cc4ccc(Cl)cc43)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000447673825 871604755 /nfs/dbraw/zinc/60/47/55/871604755.db2.gz WIQOUQMCXYDUIT-UHFFFAOYSA-N 0 0 424.888 4.459 20 5 HIBDRN CCOc1ccc(Oc2cc(CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)ccn2)cc1 ZINC000447678280 871611563 /nfs/dbraw/zinc/61/15/63/871611563.db2.gz JTDQQEIGTPFBJH-UHFFFAOYSA-N 0 0 405.414 4.091 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCC(F)(F)F)CC(F)(F)F ZINC000468518528 882529028 /nfs/dbraw/zinc/52/90/28/882529028.db2.gz QANJPDZWGWLTLE-MRVPVSSYSA-N 0 0 422.709 4.359 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1cnn(-c2ccccc2)c1 ZINC000447681721 871613403 /nfs/dbraw/zinc/61/34/03/871613403.db2.gz QWSNAALJLQRLRU-UHFFFAOYSA-N 0 0 413.306 4.442 20 5 HIBDRN CN(Cc1cc(C(C)(C)C)n[nH]1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447692982 871629302 /nfs/dbraw/zinc/62/93/02/871629302.db2.gz AEHKDGHVIMHZDH-UHFFFAOYSA-N 0 0 407.343 4.301 20 5 HIBDRN C[C@H]1Oc2ccc(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])cc2NC1=O ZINC000447692907 871629972 /nfs/dbraw/zinc/62/99/72/871629972.db2.gz JPUKDJCDJLPMFZ-SSDOTTSWSA-N 0 0 418.278 4.107 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)nc2c1 ZINC000447694183 871631358 /nfs/dbraw/zinc/63/13/58/871631358.db2.gz PTGGCNMBQJVZSQ-CYBMUJFWSA-N 0 0 408.393 4.044 20 5 HIBDRN CN(CCOc1ccccc1F)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447694835 871634284 /nfs/dbraw/zinc/63/42/84/871634284.db2.gz UJGADOAWBUCKLB-UHFFFAOYSA-N 0 0 409.286 4.298 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000447701095 871643428 /nfs/dbraw/zinc/64/34/28/871643428.db2.gz YSHGCJCBMOHKEU-QFIPXVFZSA-N 0 0 414.527 4.446 20 5 HIBDRN CC1(C)NC(=O)N(c2cccc(NC(=O)c3cc4ccccc4c4cccnc34)c2)C1=O ZINC000447837593 871763524 /nfs/dbraw/zinc/76/35/24/871763524.db2.gz VVLZHEXGOIFCLJ-UHFFFAOYSA-N 0 0 424.460 4.475 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448026747 871866234 /nfs/dbraw/zinc/86/62/34/871866234.db2.gz JQHUCOOIOQMGGX-VBKZILBWSA-N 0 0 416.909 4.478 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000448053980 871884078 /nfs/dbraw/zinc/88/40/78/871884078.db2.gz LNLPUURXXIIQND-GOSISDBHSA-N 0 0 403.460 4.188 20 5 HIBDRN Cc1cc(C[C@H](C)Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)n(-c2ccccc2)n1 ZINC000448058944 871886856 /nfs/dbraw/zinc/88/68/56/871886856.db2.gz UXOUUCSADUAONS-AWEZNQCLSA-N 0 0 405.458 4.017 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1noc(C2CCCCC2)n1 ZINC000448077311 871898173 /nfs/dbraw/zinc/89/81/73/871898173.db2.gz MJHGEALSZYTDSC-UHFFFAOYSA-N 0 0 418.475 4.257 20 5 HIBDRN CCOC(=O)[C@@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)Cc2ccccc21 ZINC000448101302 871945760 /nfs/dbraw/zinc/94/57/60/871945760.db2.gz BOKGVACNLCFBEG-HXUWFJFHSA-N 0 0 418.453 4.027 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000448111934 871961214 /nfs/dbraw/zinc/96/12/14/871961214.db2.gz QUHVCZROWONDIL-SNVBAGLBSA-N 0 0 404.448 4.372 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000448182072 872059355 /nfs/dbraw/zinc/05/93/55/872059355.db2.gz WWDSZKAMYSXDTE-OAHLLOKOSA-N 0 0 419.485 4.024 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCC(F)(F)F)CC(F)(F)F ZINC000468541295 882579632 /nfs/dbraw/zinc/57/96/32/882579632.db2.gz FVBLSXHQUFWKBU-SECBINFHSA-N 0 0 404.332 4.419 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000448222318 872133695 /nfs/dbraw/zinc/13/36/95/872133695.db2.gz HUKGXQHGYQECSH-WMZOPIPTSA-N 0 0 421.501 4.389 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000448222316 872133783 /nfs/dbraw/zinc/13/37/83/872133783.db2.gz HUKGXQHGYQECSH-FUHWJXTLSA-N 0 0 421.501 4.389 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n(-c2ccccc2)n1 ZINC000448363392 872312445 /nfs/dbraw/zinc/31/24/45/872312445.db2.gz BWNGTVVESWFRBZ-HNNXBMFYSA-N 0 0 407.474 4.458 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCCC[C@@H]3C[C@H](C)O)cc2[N+](=O)[O-])n1 ZINC000468555572 882599956 /nfs/dbraw/zinc/59/99/56/882599956.db2.gz QPJTZIPWQJVJGM-DZGCQCFKSA-N 0 0 421.544 4.277 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000468559947 882610527 /nfs/dbraw/zinc/61/05/27/882610527.db2.gz KTRJMWYPGMHKPM-KRWDZBQOSA-N 0 0 418.291 4.003 20 5 HIBDRN CCC(C)(C)c1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000448405386 872355679 /nfs/dbraw/zinc/35/56/79/872355679.db2.gz PUISAVLAVVSVAI-UHFFFAOYSA-N 0 0 421.400 4.461 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000448434737 872380495 /nfs/dbraw/zinc/38/04/95/872380495.db2.gz HZERRAJDBJNFHX-MRXNPFEDSA-N 0 0 404.825 4.194 20 5 HIBDRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000448457695 872409427 /nfs/dbraw/zinc/40/94/27/872409427.db2.gz BNIJOHYAMCTLIW-UHFFFAOYSA-N 0 0 417.771 4.249 20 5 HIBDRN O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000448459730 872414762 /nfs/dbraw/zinc/41/47/62/872414762.db2.gz QXAGIFYIMLKKEX-ZDUSSCGKSA-N 0 0 421.144 4.372 20 5 HIBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N(c1cccc(N2CCCC2)c1)C1CCCCCC1 ZINC000460117042 872587247 /nfs/dbraw/zinc/58/72/47/872587247.db2.gz ZDIWFZQOEVGDFL-UHFFFAOYSA-N 0 0 411.506 4.148 20 5 HIBDRN O=C(Cc1noc(/C=C/c2cccc([N+](=O)[O-])c2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000460153710 872683994 /nfs/dbraw/zinc/68/39/94/872683994.db2.gz ZCSBSVJIFOHKIV-BQYQJAHWSA-N 0 0 418.331 4.348 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1cnn(C)c1 ZINC000460160619 872699363 /nfs/dbraw/zinc/69/93/63/872699363.db2.gz BMSFFCKOEDZZJZ-UHFFFAOYSA-N 0 0 402.863 4.410 20 5 HIBDRN CCOC(=O)c1cc(-c2nc(CCn3ccc4ccccc43)no2)cc([N+](=O)[O-])c1 ZINC000460167761 872719437 /nfs/dbraw/zinc/71/94/37/872719437.db2.gz VTVWULYEIWHPJC-UHFFFAOYSA-N 0 0 406.398 4.019 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c1 ZINC000460169079 872723042 /nfs/dbraw/zinc/72/30/42/872723042.db2.gz HOTRGHDDCOMDAQ-UHFFFAOYSA-N 0 0 407.401 4.476 20 5 HIBDRN C[C@H]1CCN(C)c2ccccc2N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000460202995 872780979 /nfs/dbraw/zinc/78/09/79/872780979.db2.gz HJZXCJWMUKGKBM-AWEZNQCLSA-N 0 0 403.866 4.279 20 5 HIBDRN CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460222712 872808815 /nfs/dbraw/zinc/80/88/15/872808815.db2.gz QBDFSTDVDRIQFD-AWEZNQCLSA-N 0 0 411.437 4.048 20 5 HIBDRN CCn1c(CSc2ccc(C)cc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460233681 872821535 /nfs/dbraw/zinc/82/15/35/872821535.db2.gz QRYJGSOPGHVRAJ-UHFFFAOYSA-N 0 0 409.515 4.370 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=C(c2c(F)cccc2F)CC1 ZINC000460243124 872832104 /nfs/dbraw/zinc/83/21/04/872832104.db2.gz VBMSGGIQPMTDRS-UHFFFAOYSA-N 0 0 411.412 4.445 20 5 HIBDRN COC(C)(C)C[C@H](C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000460271605 872861293 /nfs/dbraw/zinc/86/12/93/872861293.db2.gz ZTKKKDOPUQFYLA-LSDHHAIUSA-N 0 0 400.479 4.096 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 ZINC000460284494 872873434 /nfs/dbraw/zinc/87/34/34/872873434.db2.gz QMLBECPPVBHWEF-QGZVFWFLSA-N 0 0 413.503 4.120 20 5 HIBDRN CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000460294626 872885308 /nfs/dbraw/zinc/88/53/08/872885308.db2.gz BCPXRMHHEGFGJE-HNNXBMFYSA-N 0 0 413.453 4.164 20 5 HIBDRN CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460303040 872892942 /nfs/dbraw/zinc/89/29/42/872892942.db2.gz FOUNFZSEBVABIN-SFTDATJTSA-N 0 0 419.485 4.014 20 5 HIBDRN CCn1c([C@@H]2COc3ccccc3O2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000460305653 872894221 /nfs/dbraw/zinc/89/42/21/872894221.db2.gz UOPRDZVPSVRFEW-FQEVSTJZSA-N 0 0 423.473 4.134 20 5 HIBDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000460342720 872957911 /nfs/dbraw/zinc/95/79/11/872957911.db2.gz VAVAGQSZWKQZNC-CYBMUJFWSA-N 0 0 423.391 4.269 20 5 HIBDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000460357204 872982099 /nfs/dbraw/zinc/98/20/99/872982099.db2.gz RKEPPKMTDTVPIJ-XMLVGPMBSA-N 0 0 411.483 4.077 20 5 HIBDRN Cc1sc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1[N+](=O)[O-] ZINC000468589248 882673845 /nfs/dbraw/zinc/67/38/45/882673845.db2.gz RIKHDIGIZMUJTM-CQSZACIVSA-N 0 0 424.320 4.444 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)CO1 ZINC000460389922 873036079 /nfs/dbraw/zinc/03/60/79/873036079.db2.gz RIYGVXMUCNSWSC-FZKQIMNGSA-N 0 0 419.275 4.268 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000460423370 873083422 /nfs/dbraw/zinc/08/34/22/873083422.db2.gz XFKOPKOEJGYTDQ-AWEZNQCLSA-N 0 0 403.866 4.046 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000460475013 873161818 /nfs/dbraw/zinc/16/18/18/873161818.db2.gz YSCXUPBKXMWCBL-UHFFFAOYSA-N 0 0 401.850 4.321 20 5 HIBDRN CCOc1ccc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000460475767 873161889 /nfs/dbraw/zinc/16/18/89/873161889.db2.gz MXBMUFDSZXIHCC-UHFFFAOYSA-N 0 0 400.328 4.337 20 5 HIBDRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460486358 873172801 /nfs/dbraw/zinc/17/28/01/873172801.db2.gz DCNQXHPRUCGQLA-MRXNPFEDSA-N 0 0 405.454 4.112 20 5 HIBDRN C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460486357 873172875 /nfs/dbraw/zinc/17/28/75/873172875.db2.gz DCNQXHPRUCGQLA-INIZCTEOSA-N 0 0 405.454 4.112 20 5 HIBDRN C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Oc1cccc(F)c1 ZINC000460495471 873180069 /nfs/dbraw/zinc/18/00/69/873180069.db2.gz OTHLNGJXQWYPQU-GFCCVEGCSA-N 0 0 401.419 4.055 20 5 HIBDRN Cc1ccccc1-n1ncc(C(=O)NCCc2ccccc2[N+](=O)[O-])c1C(F)(F)F ZINC000460503292 873188797 /nfs/dbraw/zinc/18/87/97/873188797.db2.gz KQDOBEHLYUGJLH-UHFFFAOYSA-N 0 0 418.375 4.080 20 5 HIBDRN Cc1c2cc(Br)ccc2oc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460506011 873193316 /nfs/dbraw/zinc/19/33/16/873193316.db2.gz YVEKNSOUWQJVHK-UHFFFAOYSA-N 0 0 403.232 4.384 20 5 HIBDRN CC[C@H](Cc1cccc(Br)c1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460506229 873193564 /nfs/dbraw/zinc/19/35/64/873193564.db2.gz BZWBJROFFAZJSK-OAHLLOKOSA-N 0 0 405.292 4.285 20 5 HIBDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000468601900 882700432 /nfs/dbraw/zinc/70/04/32/882700432.db2.gz XIUYLMJLIXNYPA-ZFOVBUMHSA-N 0 0 417.531 4.328 20 5 HIBDRN COc1cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)c([N+](=O)[O-])cc1OC ZINC000460533460 873231005 /nfs/dbraw/zinc/23/10/05/873231005.db2.gz MDMZNZPXWAWNMW-UHFFFAOYSA-N 0 0 424.375 4.440 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C[C@H]2CCCO2)C2CCC(C)CC2)cc1OC ZINC000460547986 873254355 /nfs/dbraw/zinc/25/43/55/873254355.db2.gz GJVFNESADDUGIY-OFLPRAFFSA-N 0 0 420.506 4.202 20 5 HIBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000460551815 873263054 /nfs/dbraw/zinc/26/30/54/873263054.db2.gz FCZRMZYBAIYFEG-MRXNPFEDSA-N 0 0 409.458 4.152 20 5 HIBDRN CC(C)Cn1c(Cc2ccccn2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000460602816 873344473 /nfs/dbraw/zinc/34/44/73/873344473.db2.gz UZHPIYVEQYGRSJ-UHFFFAOYSA-N 0 0 408.506 4.243 20 5 HIBDRN COCC[C@H]1CCCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)C1 ZINC000460610083 873353120 /nfs/dbraw/zinc/35/31/20/873353120.db2.gz WVEUFRYEUOLHNN-QGZVFWFLSA-N 0 0 401.511 4.152 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000460654397 873395323 /nfs/dbraw/zinc/39/53/23/873395323.db2.gz GSFOMCPDPBMGBB-QFBILLFUSA-N 0 0 414.527 4.489 20 5 HIBDRN C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[C@@H]1c1ccccc1 ZINC000460657611 873399339 /nfs/dbraw/zinc/39/93/39/873399339.db2.gz QKIAQVPTXMTSIY-NQIIRXRSSA-N 0 0 407.514 4.463 20 5 HIBDRN CCn1c(S[C@H]2CCCN(CC(C)(C)C)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000460676942 873424360 /nfs/dbraw/zinc/42/43/60/873424360.db2.gz XYWHKDFUDAXLHP-INIZCTEOSA-N 0 0 417.535 4.002 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](c2ccc(F)cc2F)C(C)C)c([N+](=O)[O-])cc1OC ZINC000468622002 882741649 /nfs/dbraw/zinc/74/16/49/882741649.db2.gz NOZQPOGEUBSGAO-IBGZPJMESA-N 0 0 408.401 4.407 20 5 HIBDRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000468622293 882743393 /nfs/dbraw/zinc/74/33/93/882743393.db2.gz UDYIINCBJPNXCS-INIZCTEOSA-N 0 0 421.457 4.218 20 5 HIBDRN CC(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460855848 873756284 /nfs/dbraw/zinc/75/62/84/873756284.db2.gz DXUVAEJFQDWGPT-OAQYLSRUSA-N 0 0 419.485 4.081 20 5 HIBDRN CCCO[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)CC1 ZINC000460904028 873813021 /nfs/dbraw/zinc/81/30/21/873813021.db2.gz HUHJFPCHVWQPOY-IBGZPJMESA-N 0 0 401.511 4.295 20 5 HIBDRN CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1)[C@H]1CCc2ccccc21 ZINC000460916638 873822550 /nfs/dbraw/zinc/82/25/50/873822550.db2.gz XYAASVBFPXITID-CTNGQTDRSA-N 0 0 419.485 4.156 20 5 HIBDRN Cc1cc(C)nc(NC(=O)c2cc(C(=O)Nc3cc(C)cc(C)n3)cc([N+](=O)[O-])c2)c1 ZINC000461025879 873891781 /nfs/dbraw/zinc/89/17/81/873891781.db2.gz RKDWMFLIKGMATN-UHFFFAOYSA-N 0 0 419.441 4.123 20 5 HIBDRN CC[C@@]1(C)CCN(C(=O)c2cc(C(=O)N3CC[C@](C)(CC)C3)cc([N+](=O)[O-])c2)C1 ZINC000461029816 873893653 /nfs/dbraw/zinc/89/36/53/873893653.db2.gz VHRMKPSDQHWLBP-VXKWHMMOSA-N 0 0 401.507 4.119 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000461035915 873897384 /nfs/dbraw/zinc/89/73/84/873897384.db2.gz DCAORLBZXOWKIS-YWZLYKJASA-N 0 0 412.511 4.286 20 5 HIBDRN COC(=O)c1c2c(cnn2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1Cl ZINC000461045282 873910819 /nfs/dbraw/zinc/91/08/19/873910819.db2.gz OABQGQATLGTKGX-UHFFFAOYSA-N 0 0 412.789 4.088 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N(CC3CC3)CC3CCC3)n2C[C@H]2CCCO2)cc1 ZINC000461056229 873930571 /nfs/dbraw/zinc/93/05/71/873930571.db2.gz WIWGVMXLGSGHIG-HXUWFJFHSA-N 0 0 411.506 4.049 20 5 HIBDRN CCN(Cc1ccccc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000461068275 873955068 /nfs/dbraw/zinc/95/50/68/873955068.db2.gz RSASPVMQMLPZKT-HXUWFJFHSA-N 0 0 407.474 4.059 20 5 HIBDRN COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000461086063 873997173 /nfs/dbraw/zinc/99/71/73/873997173.db2.gz PGXGCYMRGTYRJY-GOSISDBHSA-N 0 0 408.458 4.164 20 5 HIBDRN CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(C(=O)N2[C@@H](C)CC[C@@H]2CC)cc([N+](=O)[O-])c1 ZINC000461099348 874018187 /nfs/dbraw/zinc/01/81/87/874018187.db2.gz DTFRGYOYLLPILB-STEAMIEHSA-N 0 0 401.507 4.401 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000461110592 874032814 /nfs/dbraw/zinc/03/28/14/874032814.db2.gz GIBQSJCJNCVKSY-KRWDZBQOSA-N 0 0 413.232 4.183 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3nccc4sccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000461117381 874041429 /nfs/dbraw/zinc/04/14/29/874041429.db2.gz UDFWDPJJLZXZDS-UHFFFAOYSA-N 0 0 407.455 4.318 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO2)c2ccccc21 ZINC000461123191 874051354 /nfs/dbraw/zinc/05/13/54/874051354.db2.gz IBJZYGGDFQVZGY-CRAIPNDOSA-N 0 0 405.458 4.288 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@H]3c3ccccc3)n2C[C@@H]2CCCO2)cc1 ZINC000461129027 874062845 /nfs/dbraw/zinc/06/28/45/874062845.db2.gz MNMPHSVGNPGYQM-LEWJYISDSA-N 0 0 419.485 4.374 20 5 HIBDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461186461 874178562 /nfs/dbraw/zinc/17/85/62/874178562.db2.gz GQHDMJVYAMXTMD-UHFFFAOYSA-N 0 0 411.365 4.031 20 5 HIBDRN C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccc(-c2ccncc2)cc1 ZINC000468671860 882802726 /nfs/dbraw/zinc/80/27/26/882802726.db2.gz GMJIUKKNNXEYJB-INIZCTEOSA-N 0 0 418.453 4.191 20 5 HIBDRN C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccc(-c2ccncc2)cc1 ZINC000468671861 882802879 /nfs/dbraw/zinc/80/28/79/882802879.db2.gz GMJIUKKNNXEYJB-MRXNPFEDSA-N 0 0 418.453 4.191 20 5 HIBDRN CC(C)c1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000461263062 874270632 /nfs/dbraw/zinc/27/06/32/874270632.db2.gz IGSCSSZONJQPSS-LPHOPBHVSA-N 0 0 402.878 4.220 20 5 HIBDRN COc1ccc(-c2ccc(CNC(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)cc2)cc1 ZINC000461275522 874283328 /nfs/dbraw/zinc/28/33/28/874283328.db2.gz SQWWCHODQSWEEH-UHFFFAOYSA-N 0 0 402.410 4.077 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(-c3ccoc3)n1Cc1cccs1)CC2 ZINC000461317256 874325462 /nfs/dbraw/zinc/32/54/62/874325462.db2.gz NZUWNMQGGKYSAU-UHFFFAOYSA-N 0 0 407.455 4.119 20 5 HIBDRN COc1cc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)ccc1OCCC(C)C ZINC000468701492 882820925 /nfs/dbraw/zinc/82/09/25/882820925.db2.gz NZQMBOUICWJVQD-UHFFFAOYSA-N 0 0 422.503 4.044 20 5 HIBDRN CC(C)(c1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1)C(F)(F)F ZINC000461401907 874410192 /nfs/dbraw/zinc/41/01/92/874410192.db2.gz AOWQLXQGJXWIJB-UHFFFAOYSA-N 0 0 408.376 4.470 20 5 HIBDRN O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461402282 874411682 /nfs/dbraw/zinc/41/16/82/874411682.db2.gz OQQVAOIMZYYEMY-UHFFFAOYSA-N 0 0 409.829 4.345 20 5 HIBDRN CCCOc1c(Cl)cc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000461406601 874419343 /nfs/dbraw/zinc/41/93/43/874419343.db2.gz LNGIERQUXAZNRC-UHFFFAOYSA-N 0 0 420.849 4.080 20 5 HIBDRN Cc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1Oc1ccncc1 ZINC000461406795 874419385 /nfs/dbraw/zinc/41/93/85/874419385.db2.gz MMFDNBYCLZYPIO-UHFFFAOYSA-N 0 0 405.410 4.125 20 5 HIBDRN O=C(c1csc(-c2ccccc2Cl)n1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461412528 874428810 /nfs/dbraw/zinc/42/88/10/874428810.db2.gz DGIMBDPVWBLONR-UHFFFAOYSA-N 0 0 415.858 4.407 20 5 HIBDRN COC(=O)[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000461412395 874429232 /nfs/dbraw/zinc/42/92/32/874429232.db2.gz BNUHZUNRODPPSS-LJQANCHMSA-N 0 0 419.437 4.025 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3N)n2)cc1Cl ZINC000468739608 882837475 /nfs/dbraw/zinc/83/74/75/882837475.db2.gz ZEQYBXIJIIATAL-UHFFFAOYSA-N 0 0 404.835 4.215 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(-n2ncc3ccccc32)cc1 ZINC000468736942 882835720 /nfs/dbraw/zinc/83/57/20/882835720.db2.gz HQOHIWWMVAQHNR-UHFFFAOYSA-N 0 0 409.423 4.130 20 5 HIBDRN CCOCc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1Cc1cccs1 ZINC000461488291 874552612 /nfs/dbraw/zinc/55/26/12/874552612.db2.gz HRDQKHCKGQUCMC-UHFFFAOYSA-N 0 0 413.503 4.002 20 5 HIBDRN C[C@@H]1[C@H](C)SCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1 ZINC000461497259 874568539 /nfs/dbraw/zinc/56/85/39/874568539.db2.gz KBJJQONTYQJELH-KGLIPLIRSA-N 0 0 415.544 4.293 20 5 HIBDRN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1)[C@H]1CCc2ccccc21 ZINC000461519217 874599919 /nfs/dbraw/zinc/59/99/19/874599919.db2.gz DQGVRYCOWAHNNT-IERDGZPVSA-N 0 0 419.485 4.014 20 5 HIBDRN Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 ZINC000461526938 874611063 /nfs/dbraw/zinc/61/10/63/874611063.db2.gz USEMUZSUFPTOCL-QZTJIDSGSA-N 0 0 421.501 4.396 20 5 HIBDRN C[C@H](C1CCCCC1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 ZINC000461535132 874622597 /nfs/dbraw/zinc/62/25/97/874622597.db2.gz RPJGBEFEKIHHMZ-IAGOWNOFSA-N 0 0 413.522 4.295 20 5 HIBDRN 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CCOc1cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)c([N+](=O)[O-])cc1OC ZINC000462760416 875824576 /nfs/dbraw/zinc/82/45/76/875824576.db2.gz JGHUTKAXVGOANK-UHFFFAOYSA-N 0 0 410.430 4.057 20 5 HIBDRN CCc1noc(-c2ccc(CCNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)n1 ZINC000462804871 875853249 /nfs/dbraw/zinc/85/32/49/875853249.db2.gz QXLVOGUMGNKQJP-UHFFFAOYSA-N 0 0 404.373 4.463 20 5 HIBDRN CN(CCc1cccc(Br)c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000462836973 875870980 /nfs/dbraw/zinc/87/09/80/875870980.db2.gz VDAUVWZUAJKXPI-UHFFFAOYSA-N 0 0 403.232 4.418 20 5 HIBDRN CCN(C[C@@H](C)OC)C(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000462873989 875903904 /nfs/dbraw/zinc/90/39/04/875903904.db2.gz ZQEFDDPVXKFDEN-CQSZACIVSA-N 0 0 416.499 4.045 20 5 HIBDRN C[C@@H]1CN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC[C@@H]1c1ccccc1 ZINC000462892928 875918108 /nfs/dbraw/zinc/91/81/08/875918108.db2.gz DLZBTCNSIHQGBT-BEFAXECRSA-N 0 0 424.888 4.424 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000462900829 875926198 /nfs/dbraw/zinc/92/61/98/875926198.db2.gz DWVFPUUMKYWLGP-KRWDZBQOSA-N 0 0 422.485 4.083 20 5 HIBDRN CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000462903176 875928024 /nfs/dbraw/zinc/92/80/24/875928024.db2.gz BNQKURSGNZQNMZ-IBGZPJMESA-N 0 0 411.502 4.349 20 5 HIBDRN CCOC(=O)c1ccnc(NCc2ccc(-c3ccc(OC)cc3)cc2)c1[N+](=O)[O-] ZINC000462912746 875937879 /nfs/dbraw/zinc/93/78/79/875937879.db2.gz KYQGOMWLKZQAED-UHFFFAOYSA-N 0 0 407.426 4.454 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000462925692 875954191 /nfs/dbraw/zinc/95/41/91/875954191.db2.gz UJYRVJSBFSSGDM-MRXNPFEDSA-N 0 0 402.520 4.245 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccccc2OC(F)(F)F)c2ccncc21 ZINC000462941164 875964155 /nfs/dbraw/zinc/96/41/55/875964155.db2.gz IUKCDISOSWYJGM-CYBMUJFWSA-N 0 0 421.375 4.305 20 5 HIBDRN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Oc1ccc(Br)cc1 ZINC000462956428 875972878 /nfs/dbraw/zinc/97/28/78/875972878.db2.gz ZQHGZXKAPYASHF-NSHDSACASA-N 0 0 420.263 4.121 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](CO)(c2ccccc2)C1 ZINC000462968328 875982661 /nfs/dbraw/zinc/98/26/61/875982661.db2.gz KSOURXJDTXTJMO-QFIPXVFZSA-N 0 0 414.527 4.263 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Nc2cccc(OC)c2)CC1 ZINC000462988693 876003297 /nfs/dbraw/zinc/00/32/97/876003297.db2.gz FYJPZKJAFAKOFL-GOSISDBHSA-N 0 0 411.502 4.275 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000462992744 876006928 /nfs/dbraw/zinc/00/69/28/876006928.db2.gz FYSDKYNIFGYYHW-XPIZARPCSA-N 0 0 400.450 4.291 20 5 HIBDRN Cc1ncn(-c2ccc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000463035061 876056449 /nfs/dbraw/zinc/05/64/49/876056449.db2.gz FLVGBPWHQZBREF-UHFFFAOYSA-N 0 0 402.458 4.410 20 5 HIBDRN Cc1cnc(Sc2nc3scc(-c4ccccc4)c3c(=O)n2C)c([N+](=O)[O-])c1 ZINC000463051476 876079052 /nfs/dbraw/zinc/07/90/52/876079052.db2.gz IIOREPOEZWRMDP-UHFFFAOYSA-N 0 0 410.480 4.425 20 5 HIBDRN CS(=O)(=O)C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000463058143 876086563 /nfs/dbraw/zinc/08/65/63/876086563.db2.gz YEVTXUCUPOIYDD-IBGZPJMESA-N 0 0 416.524 4.199 20 5 HIBDRN COCCOCc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000463065109 876094690 /nfs/dbraw/zinc/09/46/90/876094690.db2.gz OQZWXJVVKZOHII-UHFFFAOYSA-N 0 0 413.455 4.134 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@H](C)c2ccsc2)CC1 ZINC000463089597 876121730 /nfs/dbraw/zinc/12/17/30/876121730.db2.gz VTRPIJVYXIGPON-HUUCEWRRSA-N 0 0 405.545 4.042 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463106549 876144939 /nfs/dbraw/zinc/14/49/39/876144939.db2.gz QRHMAWVWDJNRCX-UHFFFAOYSA-N 0 0 422.338 4.177 20 5 HIBDRN COc1ccc(Br)c(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000463132518 876180461 /nfs/dbraw/zinc/18/04/61/876180461.db2.gz PUNQIFZJBOJLSJ-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN O=C(COc1ccc(Br)cc1F)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000463137431 876187040 /nfs/dbraw/zinc/18/70/40/876187040.db2.gz QWKIZJCTOIGDFV-UHFFFAOYSA-N 0 0 420.194 4.062 20 5 HIBDRN C[C@H]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC12CCCCC2 ZINC000463174972 876231421 /nfs/dbraw/zinc/23/14/21/876231421.db2.gz XSFJKJHBHRFZQL-INIZCTEOSA-N 0 0 415.490 4.102 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1ccoc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000463264246 876322242 /nfs/dbraw/zinc/32/22/42/876322242.db2.gz YKALZOWZQUMANN-ZDUSSCGKSA-N 0 0 414.336 4.019 20 5 HIBDRN CN(CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000463329855 876385997 /nfs/dbraw/zinc/38/59/97/876385997.db2.gz PCIBFIXNIUIVBD-UHFFFAOYSA-N 0 0 417.771 4.264 20 5 HIBDRN CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000463346238 876399726 /nfs/dbraw/zinc/39/97/26/876399726.db2.gz UFPMUVSROXAFMC-UHFFFAOYSA-N 0 0 409.364 4.394 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1N[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000468964325 883031231 /nfs/dbraw/zinc/03/12/31/883031231.db2.gz OKWGWYDPDVXJEU-HNNXBMFYSA-N 0 0 405.227 4.431 20 5 HIBDRN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463448461 876508439 /nfs/dbraw/zinc/50/84/39/876508439.db2.gz DPNNFJUSZLLDGH-INIZCTEOSA-N 0 0 411.380 4.164 20 5 HIBDRN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])sc2c1 ZINC000463475134 876534322 /nfs/dbraw/zinc/53/43/22/876534322.db2.gz FNBMPMCOPHDTBQ-UHFFFAOYSA-N 0 0 424.360 4.434 20 5 HIBDRN CN(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000463473881 876534385 /nfs/dbraw/zinc/53/43/85/876534385.db2.gz YPPWKJPHIRKACU-MRXNPFEDSA-N 0 0 415.799 4.300 20 5 HIBDRN CCOc1cc(NC(=O)N2CCn3c(cc4ccccc43)C2)c([N+](=O)[O-])cc1OCC ZINC000463561165 876649755 /nfs/dbraw/zinc/64/97/55/876649755.db2.gz ABDNKKGQWPVFIE-UHFFFAOYSA-N 0 0 424.457 4.395 20 5 HIBDRN CN(C)c1ccc2cc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2n1 ZINC000463653501 876774242 /nfs/dbraw/zinc/77/42/42/876774242.db2.gz BLIFBGOQIYBGGQ-UHFFFAOYSA-N 0 0 404.348 4.480 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CCC2)c2ncccc12 ZINC000463667491 876789560 /nfs/dbraw/zinc/78/95/60/876789560.db2.gz SLVTYUMFDWKQDM-UHFFFAOYSA-N 0 0 411.483 4.134 20 5 HIBDRN COc1cc(S(=O)(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000469002527 883068559 /nfs/dbraw/zinc/06/85/59/883068559.db2.gz PPPLFHUQABLLRO-LBPRGKRZSA-N 0 0 410.879 4.171 20 5 HIBDRN Cc1cc(Br)cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000463725550 876845404 /nfs/dbraw/zinc/84/54/04/876845404.db2.gz COVHYLFBWORIEO-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1ccc(CCN(CC(F)(F)F)C(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000463923103 877043877 /nfs/dbraw/zinc/04/38/77/877043877.db2.gz CTNDQMHFCUMABL-UHFFFAOYSA-N 0 0 410.392 4.306 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000463947954 877069897 /nfs/dbraw/zinc/06/98/97/877069897.db2.gz FIEBBTZBBLPZBO-FPOVZHCZSA-N 0 0 405.458 4.458 20 5 HIBDRN Cc1nc(C(F)(F)F)sc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000463958898 877082674 /nfs/dbraw/zinc/08/26/74/877082674.db2.gz RCZNZFKXWIAPND-CYBMUJFWSA-N 0 0 403.407 4.266 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cs1 ZINC000463972963 877098928 /nfs/dbraw/zinc/09/89/28/877098928.db2.gz FWFHVOHQJXXZNM-QWHCGFSZSA-N 0 0 409.533 4.288 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000463990761 877124791 /nfs/dbraw/zinc/12/47/91/877124791.db2.gz AMHNNQYJHKOHAB-SNVBAGLBSA-N 0 0 402.756 4.464 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cs1 ZINC000463995889 877131602 /nfs/dbraw/zinc/13/16/02/877131602.db2.gz MZZGHFNBJLHZNT-AWEZNQCLSA-N 0 0 418.519 4.021 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000463996861 877133339 /nfs/dbraw/zinc/13/33/39/877133339.db2.gz OBEQWWPOXDHMTE-HXUWFJFHSA-N 0 0 417.465 4.250 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000464002521 877137108 /nfs/dbraw/zinc/13/71/08/877137108.db2.gz ICAHNUNLLILPCN-SFHVURJKSA-N 0 0 401.438 4.193 20 5 HIBDRN COc1ccc(-c2ncc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000464006020 877141557 /nfs/dbraw/zinc/14/15/57/877141557.db2.gz LMEFMWOUDMMIBB-UHFFFAOYSA-N 0 0 411.483 4.480 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000464008048 877142602 /nfs/dbraw/zinc/14/26/02/877142602.db2.gz TTZWTTHPJTWVQP-GFCCVEGCSA-N 0 0 409.364 4.046 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000464039547 877176724 /nfs/dbraw/zinc/17/67/24/877176724.db2.gz BGXQTXGFIXXPTI-LLVKDONJSA-N 0 0 410.257 4.334 20 5 HIBDRN Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000464052615 877194244 /nfs/dbraw/zinc/19/42/44/877194244.db2.gz RCOLOOBTPCUMEN-IFMALSPDSA-N 0 0 404.470 4.497 20 5 HIBDRN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000464075251 877224718 /nfs/dbraw/zinc/22/47/18/877224718.db2.gz WMTRGSCVIBTXEK-CYBMUJFWSA-N 0 0 424.350 4.488 20 5 HIBDRN COc1cc(CNc2ccc(NC(C)=O)cc2C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000464081636 877233139 /nfs/dbraw/zinc/23/31/39/877233139.db2.gz JBWRJFYSLCDIDP-UHFFFAOYSA-N 0 0 401.316 4.332 20 5 HIBDRN Cc1cccc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1[N+](=O)[O-] ZINC000464124127 877278674 /nfs/dbraw/zinc/27/86/74/877278674.db2.gz XEGPYNSUJASHKK-UHFFFAOYSA-N 0 0 405.458 4.064 20 5 HIBDRN Cc1sc(C(=O)N(CCCOc2ccccc2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000464181571 877352014 /nfs/dbraw/zinc/35/20/14/877352014.db2.gz NUUMERKYLNTMEK-UHFFFAOYSA-N 0 0 404.488 4.055 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccccc2F)C2CCCC2)c2ncccc12 ZINC000464204791 877375837 /nfs/dbraw/zinc/37/58/37/877375837.db2.gz GPWFEPWBHGMFSA-UHFFFAOYSA-N 0 0 415.446 4.420 20 5 HIBDRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000503248923 912229233 /nfs/dbraw/zinc/22/92/33/912229233.db2.gz XJBBAJNDGCXIFP-UHFFFAOYSA-N 0 0 411.727 4.100 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c2ncccc12 ZINC000464220427 877392083 /nfs/dbraw/zinc/39/20/83/877392083.db2.gz VSXPVBPWJUADHH-QGZVFWFLSA-N 0 0 415.446 4.198 20 5 HIBDRN Cc1oc2ccccc2c1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000464248222 877426385 /nfs/dbraw/zinc/42/63/85/877426385.db2.gz CZPBVQHDVLAPHP-UHFFFAOYSA-N 0 0 417.259 4.313 20 5 HIBDRN C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Sc1ccccc1 ZINC000464254731 877433874 /nfs/dbraw/zinc/43/38/74/877433874.db2.gz AZVLZDLCQXWUAR-QGZVFWFLSA-N 0 0 402.519 4.452 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000464263088 877444970 /nfs/dbraw/zinc/44/49/70/877444970.db2.gz XZSZHNYGBCIBHQ-ZDUSSCGKSA-N 0 0 405.435 4.439 20 5 HIBDRN COc1cc(C(=O)NC[C@@H](C)Sc2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000464276329 877462906 /nfs/dbraw/zinc/46/29/06/877462906.db2.gz PBETWJLJBMIUJI-LLVKDONJSA-N 0 0 412.414 4.115 20 5 HIBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(S[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000503258759 912238137 /nfs/dbraw/zinc/23/81/37/912238137.db2.gz XKVUKQCIEXBIJW-INIZCTEOSA-N 0 0 422.528 4.081 20 5 HIBDRN CCc1cc(NC(=O)c2sc(C(C)(C)OC)nc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000464286016 877473923 /nfs/dbraw/zinc/47/39/23/877473923.db2.gz XIXBPHFWKAATMU-UHFFFAOYSA-N 0 0 414.487 4.026 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)cc([N+](=O)[O-])c1 ZINC000464303346 877492420 /nfs/dbraw/zinc/49/24/20/877492420.db2.gz ZQPJZLCWWHHQTN-BFUOFWGJSA-N 0 0 400.406 4.134 20 5 HIBDRN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000464309365 877500053 /nfs/dbraw/zinc/50/00/53/877500053.db2.gz YGXWRBUCYPTWER-AWEZNQCLSA-N 0 0 420.208 4.019 20 5 HIBDRN CCOc1ccc(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])c2ncccc12 ZINC000464328742 877519844 /nfs/dbraw/zinc/51/98/44/877519844.db2.gz RKTCAQLKBZNNST-UHFFFAOYSA-N 0 0 411.414 4.201 20 5 HIBDRN CCOc1ccc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1[N+](=O)[O-] ZINC000464329490 877519930 /nfs/dbraw/zinc/51/99/30/877519930.db2.gz ORPWQVPERIGSBZ-UHFFFAOYSA-N 0 0 418.862 4.342 20 5 HIBDRN O=C(NCc1cccc(-c2cccnc2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000464343637 877534451 /nfs/dbraw/zinc/53/44/51/877534451.db2.gz ZPBSCBRWQLPKPD-UHFFFAOYSA-N 0 0 412.243 4.349 20 5 HIBDRN Cn1cc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000464348375 877540809 /nfs/dbraw/zinc/54/08/09/877540809.db2.gz ATBKQICTFPGMIW-MRXNPFEDSA-N 0 0 422.510 4.250 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](CSc2ccccc2)C1 ZINC000464352433 877545728 /nfs/dbraw/zinc/54/57/28/877545728.db2.gz CRXCBBAAPLYRNQ-INIZCTEOSA-N 0 0 408.483 4.035 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000464396440 877597114 /nfs/dbraw/zinc/59/71/14/877597114.db2.gz DUBRLIVUHGCBQD-LPMFXHHGSA-N 0 0 408.401 4.390 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)c2ccc(OC)cn2)cc1 ZINC000464436642 877650066 /nfs/dbraw/zinc/65/00/66/877650066.db2.gz KNLBWRGQJCUCRW-UHFFFAOYSA-N 0 0 409.398 4.076 20 5 HIBDRN 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CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000465196232 878597283 /nfs/dbraw/zinc/59/72/83/878597283.db2.gz LNFONLVNPMDCGQ-LBPRGKRZSA-N 0 0 418.475 4.198 20 5 HIBDRN CO[C@@H](CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000465200197 878603698 /nfs/dbraw/zinc/60/36/98/878603698.db2.gz ZSQWPFXLKBSIHN-HNNXBMFYSA-N 0 0 409.533 4.302 20 5 HIBDRN COc1cc(C(=O)NC[C@H](OC)C(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000465203972 878609378 /nfs/dbraw/zinc/60/93/78/878609378.db2.gz FTCKRAAWWCVAAA-IBGZPJMESA-N 0 0 422.865 4.450 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000465204097 878611767 /nfs/dbraw/zinc/61/17/67/878611767.db2.gz FVWWSIBIBSXJQV-UONOGXRCSA-N 0 0 414.849 4.079 20 5 HIBDRN CC[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000465248297 878671675 /nfs/dbraw/zinc/67/16/75/878671675.db2.gz AWMZIPFESSVELH-LLVKDONJSA-N 0 0 405.423 4.430 20 5 HIBDRN COc1cc(C(=O)Nc2cnn(C)c2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000465259797 878685811 /nfs/dbraw/zinc/68/58/11/878685811.db2.gz JLUKVNSMQJYHBT-UHFFFAOYSA-N 0 0 416.821 4.343 20 5 HIBDRN Cc1ncccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000465297503 878740955 /nfs/dbraw/zinc/74/09/55/878740955.db2.gz KNYJNAVJMXCUNL-UHFFFAOYSA-N 0 0 413.437 4.332 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccc(OC)cc3)CC2)cc1OC ZINC000465307160 878752193 /nfs/dbraw/zinc/75/21/93/878752193.db2.gz NSXMUNYLVDUFBV-UHFFFAOYSA-N 0 0 414.458 4.031 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1ccc(OC)cc1 ZINC000503401043 912380504 /nfs/dbraw/zinc/38/05/04/912380504.db2.gz ZZHPJCYRZJBQQE-AWEZNQCLSA-N 0 0 404.488 4.303 20 5 HIBDRN O=C(CCc1cc2ccccc2[nH]c1=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000503413588 912397337 /nfs/dbraw/zinc/39/73/37/912397337.db2.gz GXBYFKPURZGCLO-OAQYLSRUSA-N 0 0 409.467 4.055 20 5 HIBDRN O=C(CCc1cc2ccccc2[nH]c1=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000503413587 912398027 /nfs/dbraw/zinc/39/80/27/912398027.db2.gz 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CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000465703755 879268077 /nfs/dbraw/zinc/26/80/77/879268077.db2.gz BRWVSYQMFUUHCM-YOEHRIQHSA-N 0 0 401.463 4.442 20 5 HIBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 ZINC000503444881 912465791 /nfs/dbraw/zinc/46/57/91/912465791.db2.gz BLULXYPHUVJWPO-OAQYLSRUSA-N 0 0 413.499 4.176 20 5 HIBDRN CO[C@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000465982656 879654642 /nfs/dbraw/zinc/65/46/42/879654642.db2.gz QACNPZBWMJERBN-LJQANCHMSA-N 0 0 405.882 4.258 20 5 HIBDRN C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)cc1 ZINC000465984139 879657092 /nfs/dbraw/zinc/65/70/92/879657092.db2.gz OTSHXNYLFWTAKL-QGZVFWFLSA-N 0 0 407.474 4.164 20 5 HIBDRN C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000465993423 879670263 /nfs/dbraw/zinc/67/02/63/879670263.db2.gz WYWNZCYWNDQKDO-HNNXBMFYSA-N 0 0 415.494 4.409 20 5 HIBDRN 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HIBDRN CN(Cc1cc[nH]n1)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466438041 880213470 /nfs/dbraw/zinc/21/34/70/880213470.db2.gz HQIZKHRAJYPMNX-UHFFFAOYSA-N 0 0 402.863 4.395 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000466501996 880277113 /nfs/dbraw/zinc/27/71/13/880277113.db2.gz AFWIKLVPDHTIIM-SFHVURJKSA-N 0 0 419.865 4.040 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 ZINC000466503771 880278255 /nfs/dbraw/zinc/27/82/55/880278255.db2.gz FKXBBQXZKIEYJM-UHFFFAOYSA-N 0 0 411.414 4.228 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(SC)n1-c1ccc(F)cc1 ZINC000466506453 880282013 /nfs/dbraw/zinc/28/20/13/880282013.db2.gz TVZQTPSHZAIVPW-UHFFFAOYSA-N 0 0 416.434 4.293 20 5 HIBDRN O=[N+]([O-])c1ccc(CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(Cl)c1 ZINC000466514225 880287406 /nfs/dbraw/zinc/28/74/06/880287406.db2.gz IVERVHTUEKYDTK-UHFFFAOYSA-N 0 0 409.678 4.175 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000466516639 880291750 /nfs/dbraw/zinc/29/17/50/880291750.db2.gz RQPIUDANFQKKKC-UHFFFAOYSA-N 0 0 421.409 4.137 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000466568637 880344665 /nfs/dbraw/zinc/34/46/65/880344665.db2.gz YZVNTQKXWAIPBM-LBPRGKRZSA-N 0 0 407.854 4.216 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCCO2)c1 ZINC000466637073 880411436 /nfs/dbraw/zinc/41/14/36/880411436.db2.gz XQSMSHDVCQIXIE-INIZCTEOSA-N 0 0 416.499 4.113 20 5 HIBDRN O=C(Nc1cc(Br)c(F)cc1F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000466700673 880491655 /nfs/dbraw/zinc/49/16/55/880491655.db2.gz UVFOLNXHKKNGEB-UHFFFAOYSA-N 0 0 412.190 4.226 20 5 HIBDRN COCc1ccc([C@@H]2CCCN2C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)o1 ZINC000466716277 880506153 /nfs/dbraw/zinc/50/61/53/880506153.db2.gz GFXXNHQXDUOYEX-HNNXBMFYSA-N 0 0 423.263 4.382 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000466788350 880567971 /nfs/dbraw/zinc/56/79/71/880567971.db2.gz JQLZLXXZRSFUOI-UHFFFAOYSA-N 0 0 416.840 4.798 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000466791676 880570721 /nfs/dbraw/zinc/57/07/21/880570721.db2.gz ROBCKDVBHRIKGP-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN C[C@@H](Cn1ccnc1)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466790695 880570785 /nfs/dbraw/zinc/57/07/85/880570785.db2.gz MRRQBVRQIWLVKX-ZDUSSCGKSA-N 0 0 416.890 4.414 20 5 HIBDRN COCC[C@@H]1CCCCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000466831029 880600723 /nfs/dbraw/zinc/60/07/23/880600723.db2.gz JRRQPQZOSGYIJQ-MSOLQXFVSA-N 0 0 403.523 4.110 20 5 HIBDRN COCc1ccc([C@H]2CCCN2C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])o1 ZINC000466846726 880616194 /nfs/dbraw/zinc/61/61/94/880616194.db2.gz BVNTVKQBVOPMTI-CQSZACIVSA-N 0 0 406.460 4.042 20 5 HIBDRN COCc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000466848621 880619177 /nfs/dbraw/zinc/61/91/77/880619177.db2.gz XQUDEWFEPLFFJL-IUODEOHRSA-N 0 0 408.838 4.119 20 5 HIBDRN COCc1ccc([C@H]2CCCN2C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000466852838 880621809 /nfs/dbraw/zinc/62/18/09/880621809.db2.gz ADNGQGHASOGWJA-OAHLLOKOSA-N 0 0 408.838 4.120 20 5 HIBDRN Cc1noc(CCNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 ZINC000466868169 880636254 /nfs/dbraw/zinc/63/62/54/880636254.db2.gz OZVJJZATCVIYEU-UHFFFAOYSA-N 0 0 418.862 4.063 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(CN(C)C)c(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000467027137 880826919 /nfs/dbraw/zinc/82/69/19/880826919.db2.gz UHJNVEWKXSWHME-NSHDSACASA-N 0 0 424.270 4.300 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000467029577 880829006 /nfs/dbraw/zinc/82/90/06/880829006.db2.gz VWAKTLOQYXXIRG-CYBMUJFWSA-N 0 0 407.473 4.022 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1nnc(-c2ccccc2)s1 ZINC000467040055 880837036 /nfs/dbraw/zinc/83/70/36/880837036.db2.gz GNJIYFMNOAFGMA-CYBMUJFWSA-N 0 0 403.485 4.098 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)cc1[N+](=O)[O-] ZINC000467083800 880853515 /nfs/dbraw/zinc/85/35/15/880853515.db2.gz GZLKHUXOOPEFDG-UHFFFAOYSA-N 0 0 422.466 4.258 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000467099983 880862366 /nfs/dbraw/zinc/86/23/66/880862366.db2.gz DLZDTFPLPCQIKL-UHFFFAOYSA-N 0 0 416.739 4.219 20 5 HIBDRN COCCN(C(=O)c1ccncc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000467107996 880867542 /nfs/dbraw/zinc/86/75/42/880867542.db2.gz XDPSQJVWKMPOMU-UHFFFAOYSA-N 0 0 418.862 4.060 20 5 HIBDRN O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467107903 880867797 /nfs/dbraw/zinc/86/77/97/880867797.db2.gz WFBMMFJXKONXOB-UHFFFAOYSA-N 0 0 404.401 4.062 20 5 HIBDRN Cc1nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1Br ZINC000467125433 880879541 /nfs/dbraw/zinc/87/95/41/880879541.db2.gz IMRYWUTXSSPFJS-VIFPVBQESA-N 0 0 414.643 4.120 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000467146232 880885798 /nfs/dbraw/zinc/88/57/98/880885798.db2.gz CIDAXNKPRCMEGS-CYBMUJFWSA-N 0 0 418.881 4.407 20 5 HIBDRN COc1cc(CCC2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000467166873 880897041 /nfs/dbraw/zinc/89/70/41/880897041.db2.gz XTGJHROOHPLPCL-UHFFFAOYSA-N 0 0 416.449 4.236 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000467211062 880940358 /nfs/dbraw/zinc/94/03/58/880940358.db2.gz HCSCHHKREHKJJI-CRAIPNDOSA-N 0 0 407.829 4.107 20 5 HIBDRN CN(C)c1cccc([C@@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000467214318 880943944 /nfs/dbraw/zinc/94/39/44/880943944.db2.gz PWSAJJZTTZUAJL-IBGZPJMESA-N 0 0 402.882 4.361 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000467221821 880951150 /nfs/dbraw/zinc/95/11/50/880951150.db2.gz DNMATQFLGUXSTM-KRWDZBQOSA-N 0 0 410.257 4.185 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000467222014 880951479 /nfs/dbraw/zinc/95/14/79/880951479.db2.gz GJPXYORACQTVNH-UHFFFAOYSA-N 0 0 419.709 4.275 20 5 HIBDRN CCOC(=O)C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1C ZINC000467234215 880960387 /nfs/dbraw/zinc/96/03/87/880960387.db2.gz ZTABPDYNIWQQKW-SFHVURJKSA-N 0 0 419.865 4.050 20 5 HIBDRN COc1cc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)ccc1Br ZINC000467373046 881147833 /nfs/dbraw/zinc/14/78/33/881147833.db2.gz ITDWSRADTQQRKN-UHFFFAOYSA-N 0 0 414.643 4.341 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000467390507 881173419 /nfs/dbraw/zinc/17/34/19/881173419.db2.gz PIQFTDLVNLRBAH-HNNXBMFYSA-N 0 0 423.828 4.267 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467392881 881176846 /nfs/dbraw/zinc/17/68/46/881176846.db2.gz IWBHLFZGPUIVDN-NSHDSACASA-N 0 0 423.541 4.436 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000467438785 881237762 /nfs/dbraw/zinc/23/77/62/881237762.db2.gz IHBKURCUNPUBDN-UHFFFAOYSA-N 0 0 423.860 4.485 20 5 HIBDRN CCC[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000467438524 881237918 /nfs/dbraw/zinc/23/79/18/881237918.db2.gz OIJLATYMKNFKGL-SFHVURJKSA-N 0 0 419.428 4.299 20 5 HIBDRN CCC[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000467438523 881238158 /nfs/dbraw/zinc/23/81/58/881238158.db2.gz OIJLATYMKNFKGL-GOSISDBHSA-N 0 0 419.428 4.299 20 5 HIBDRN Cc1c(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1F ZINC000467461743 881270290 /nfs/dbraw/zinc/27/02/90/881270290.db2.gz YZOUFHHEICXZAZ-UHFFFAOYSA-N 0 0 403.801 4.203 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000469079443 883166159 /nfs/dbraw/zinc/16/61/59/883166159.db2.gz RYLYRRBYUQAEPF-UGSOOPFHSA-N 0 0 406.891 4.329 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000469110304 883202222 /nfs/dbraw/zinc/20/22/22/883202222.db2.gz QYIGKSHQULTDDU-UHFFFAOYSA-N 0 0 410.518 4.445 20 5 HIBDRN CCCc1c(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cnn1-c1cccc(F)c1 ZINC000469127382 883223395 /nfs/dbraw/zinc/22/33/95/883223395.db2.gz WTXYXDYWQFPZJF-UHFFFAOYSA-N 0 0 418.450 4.019 20 5 HIBDRN O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000469182688 883282045 /nfs/dbraw/zinc/28/20/45/883282045.db2.gz FTFDFHDSJQZFIX-UHFFFAOYSA-N 0 0 412.858 4.392 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000469208363 883307285 /nfs/dbraw/zinc/30/72/85/883307285.db2.gz WKZKEKDWKFCQIP-SFHVURJKSA-N 0 0 408.462 4.210 20 5 HIBDRN Cn1ccnc1Sc1ccc(F)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000503602805 912696459 /nfs/dbraw/zinc/69/64/59/912696459.db2.gz OGLRTMBOHMOPSZ-UHFFFAOYSA-N 0 0 416.434 4.026 20 5 HIBDRN CCCC[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)cc1 ZINC000503608719 912704728 /nfs/dbraw/zinc/70/47/28/912704728.db2.gz LJHIOGWDEZXSOG-QGZVFWFLSA-N 0 0 419.865 4.243 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N(CC(F)(F)F)[C@@H]1CCOC1 ZINC000469312316 883413124 /nfs/dbraw/zinc/41/31/24/883413124.db2.gz XCRPYQSWLPNLOX-OAHLLOKOSA-N 0 0 409.364 4.132 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469355481 883477569 /nfs/dbraw/zinc/47/75/69/883477569.db2.gz ZAJQFPGWXXJTSC-NWDGAFQWSA-N 0 0 422.279 4.044 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@H](c3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000469370853 883494937 /nfs/dbraw/zinc/49/49/37/883494937.db2.gz GDWAUNAWNZLQFI-AWEZNQCLSA-N 0 0 422.453 4.131 20 5 HIBDRN Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000469394598 883550903 /nfs/dbraw/zinc/55/09/03/883550903.db2.gz BFZVOTHHYHRSFP-QFIPXVFZSA-N 0 0 423.469 4.026 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cccc2C(=O)OC)[nH]1 ZINC000503634042 912735129 /nfs/dbraw/zinc/73/51/29/912735129.db2.gz AMHNVRJOVLBCHB-UHFFFAOYSA-N 0 0 414.443 4.012 20 5 HIBDRN NC(=O)c1ccc(CN2CCCC[C@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000469528635 883800707 /nfs/dbraw/zinc/80/07/07/883800707.db2.gz GZTXOBSECSMRSX-KRWDZBQOSA-N 0 0 407.392 4.440 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000503646418 912750914 /nfs/dbraw/zinc/75/09/14/912750914.db2.gz CKJSRAVEPAKQBD-CYBMUJFWSA-N 0 0 418.375 4.160 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCSc4ccncc43)cc2[N+](=O)[O-])C1 ZINC000469534160 883803735 /nfs/dbraw/zinc/80/37/35/883803735.db2.gz XKFMOOVEJANFRE-GJZGRUSLSA-N 0 0 412.515 4.225 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000469706551 883881179 /nfs/dbraw/zinc/88/11/79/883881179.db2.gz TYJUZNMUEOCRHW-UHFFFAOYSA-N 0 0 413.764 4.145 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)ccc(Br)c1F ZINC000469761231 883928173 /nfs/dbraw/zinc/92/81/73/883928173.db2.gz ACTNUNLSLOMNFC-UHFFFAOYSA-N 0 0 419.609 4.261 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)CCNc2ccccc2[N+](=O)[O-])s1 ZINC000469889696 884080839 /nfs/dbraw/zinc/08/08/39/884080839.db2.gz MXIAJKCUOURYSC-UHFFFAOYSA-N 0 0 401.423 4.002 20 5 HIBDRN CC(C)(C)OC1CC(CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000470005496 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ILSOAJZFNWHNDT-UHFFFAOYSA-N 0 0 403.398 4.305 20 5 HIBDRN C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470133330 884396588 /nfs/dbraw/zinc/39/65/88/884396588.db2.gz MENTYETYSSRBGI-AWEZNQCLSA-N 0 0 409.421 4.025 20 5 HIBDRN Cn1ccc([C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccc(Cl)cc2)n1 ZINC000470145561 884412245 /nfs/dbraw/zinc/41/22/45/884412245.db2.gz WKIOHRKGOQYLBH-QGZVFWFLSA-N 0 0 403.801 4.032 20 5 HIBDRN C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000470171726 884452691 /nfs/dbraw/zinc/45/26/91/884452691.db2.gz NUIIGLVNJCPJHU-BEFAXECRSA-N 0 0 403.504 4.151 20 5 HIBDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000470194630 884502078 /nfs/dbraw/zinc/50/20/78/884502078.db2.gz PRNDJNMYYIMFNW-UHFFFAOYSA-N 0 0 402.813 4.122 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)n1 ZINC000470241225 884570617 /nfs/dbraw/zinc/57/06/17/884570617.db2.gz GMKKPXKAQNAJLH-ZDUSSCGKSA-N 0 0 407.430 4.127 20 5 HIBDRN 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CO[C@H](CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(F)(F)F ZINC000470354984 884748801 /nfs/dbraw/zinc/74/88/01/884748801.db2.gz MWSVPXZDCBQTJS-MRXNPFEDSA-N 0 0 413.352 4.476 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000470376167 884772818 /nfs/dbraw/zinc/77/28/18/884772818.db2.gz WIOPIUJPTANPGM-NSHDSACASA-N 0 0 403.822 4.396 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000470385928 884788408 /nfs/dbraw/zinc/78/84/08/884788408.db2.gz FXDMZOYESGDGSY-UHFFFAOYSA-N 0 0 421.787 4.460 20 5 HIBDRN CCOc1ccc([C@H](C)[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000503921405 912866270 /nfs/dbraw/zinc/86/62/70/912866270.db2.gz UXIPBKOBDAZOLE-FXAWDEMLSA-N 0 0 407.470 4.247 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000470522372 884915565 /nfs/dbraw/zinc/91/55/65/884915565.db2.gz PDBVYKMMHYSMJE-CYBMUJFWSA-N 0 0 419.865 4.252 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CSc2ccc(Br)cc21 ZINC000470528592 884924372 /nfs/dbraw/zinc/92/43/72/884924372.db2.gz MXWSICSGUXEDQU-HNNXBMFYSA-N 0 0 407.289 4.253 20 5 HIBDRN O=C(c1cc(-c2ccccn2)no1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000470543285 884950183 /nfs/dbraw/zinc/95/01/83/884950183.db2.gz LYSMTJRHAOGEEB-UHFFFAOYSA-N 0 0 400.394 4.492 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CNc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000470555888 884969717 /nfs/dbraw/zinc/96/97/17/884969717.db2.gz KRBVRCHVHVTTBL-UHFFFAOYSA-N 0 0 407.474 4.490 20 5 HIBDRN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000470580998 884997156 /nfs/dbraw/zinc/99/71/56/884997156.db2.gz FEXDBNDAZJTFOV-IBGZPJMESA-N 0 0 401.850 4.118 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1 ZINC000470639088 885063716 /nfs/dbraw/zinc/06/37/16/885063716.db2.gz WAWTVGAVQIAZND-UHFFFAOYSA-N 0 0 408.798 4.167 20 5 HIBDRN CN(c1ccccc1)c1ccc(CNc2ccc(-c3nncn3C)cn2)cc1[N+](=O)[O-] ZINC000470651971 885073464 /nfs/dbraw/zinc/07/34/64/885073464.db2.gz OMKOIDAXQRZREZ-UHFFFAOYSA-N 0 0 415.457 4.165 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000470669813 885098206 /nfs/dbraw/zinc/09/82/06/885098206.db2.gz LSFISAORVVMVMK-UHFFFAOYSA-N 0 0 400.431 4.130 20 5 HIBDRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470692932 885129494 /nfs/dbraw/zinc/12/94/94/885129494.db2.gz IRMMHEGMNCFKKG-UHFFFAOYSA-N 0 0 411.418 4.154 20 5 HIBDRN Cc1ccccc1-n1ncc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1C(F)(F)F ZINC000470697912 885136573 /nfs/dbraw/zinc/13/65/73/885136573.db2.gz UQUVEJBFLUQMIW-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470702791 885141839 /nfs/dbraw/zinc/14/18/39/885141839.db2.gz GATPLSNZOYFDRU-QMMMGPOBSA-N 0 0 401.163 4.042 20 5 HIBDRN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470706134 885143171 /nfs/dbraw/zinc/14/31/71/885143171.db2.gz DCRPPJQFUBDPGV-UHFFFAOYSA-N 0 0 402.407 4.278 20 5 HIBDRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000470741515 885201977 /nfs/dbraw/zinc/20/19/77/885201977.db2.gz YATUTRAODCDONS-UHFFFAOYSA-N 0 0 407.348 4.246 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F ZINC000470742218 885203817 /nfs/dbraw/zinc/20/38/17/885203817.db2.gz ACKDGBLJZRFBFC-LLVKDONJSA-N 0 0 404.373 4.229 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000470806048 885295439 /nfs/dbraw/zinc/29/54/39/885295439.db2.gz ZXNWWAZDLXAVGQ-UHFFFAOYSA-N 0 0 403.442 4.315 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000470834389 885325834 /nfs/dbraw/zinc/32/58/34/885325834.db2.gz VJBIMWPJXUJWSZ-LBPRGKRZSA-N 0 0 407.264 4.176 20 5 HIBDRN CCn1c(SCCn2cc([N+](=O)[O-])cn2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000470845992 885343270 /nfs/dbraw/zinc/34/32/70/885343270.db2.gz WNKIKPAOAGBWFS-UHFFFAOYSA-N 0 0 400.508 4.160 20 5 HIBDRN Cc1cc(N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)ncc1[N+](=O)[O-] ZINC000470864207 885354796 /nfs/dbraw/zinc/35/47/96/885354796.db2.gz MRBBQUHDCWFHHG-UHFFFAOYSA-N 0 0 409.273 4.460 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 ZINC000470878024 885367714 /nfs/dbraw/zinc/36/77/14/885367714.db2.gz SAUCNYANTABVHN-KNQAVFIVSA-N 0 0 420.469 4.200 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000470920859 885427690 /nfs/dbraw/zinc/42/76/90/885427690.db2.gz VANVQLJJNZMCGX-HVETUWLQSA-N 0 0 409.486 4.082 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000470963122 885461563 /nfs/dbraw/zinc/46/15/63/885461563.db2.gz ZCANKYLQVZYYKQ-HXUWFJFHSA-N 0 0 406.442 4.118 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000470962398 885461923 /nfs/dbraw/zinc/46/19/23/885461923.db2.gz DXUCABQDCYCFEN-UHFFFAOYSA-N 0 0 414.458 4.360 20 5 HIBDRN C[C@H](Oc1cnc2ccccc2c1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000470966449 885467243 /nfs/dbraw/zinc/46/72/43/885467243.db2.gz KAMVKXOZYZQPIA-QKKBWIMNSA-N 0 0 409.467 4.185 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1[N+](=O)[O-] ZINC000471079351 885606079 /nfs/dbraw/zinc/60/60/79/885606079.db2.gz APRYDNCWFWWOGX-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000471085278 885613347 /nfs/dbraw/zinc/61/33/47/885613347.db2.gz LDCQRVUUFWFRLG-UHFFFAOYSA-N 0 0 400.822 4.393 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(C2CCCC2)c(C(=O)OC)s1 ZINC000471086417 885614748 /nfs/dbraw/zinc/61/47/48/885614748.db2.gz NJNMRIKIASFMKB-UHFFFAOYSA-N 0 0 419.459 4.147 20 5 HIBDRN Cc1c(NC(=O)c2cc(F)c(F)cc2I)cccc1[N+](=O)[O-] ZINC000471092076 885621106 /nfs/dbraw/zinc/62/11/06/885621106.db2.gz YYCVWLHKPAKVII-UHFFFAOYSA-N 0 0 418.137 4.038 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000471142995 885687254 /nfs/dbraw/zinc/68/72/54/885687254.db2.gz ICCQOYORVQLIPW-UHFFFAOYSA-N 0 0 406.442 4.446 20 5 HIBDRN CCOc1cc(NC(=O)CCc2nnc(C3CCCC3)o2)c([N+](=O)[O-])cc1OCC ZINC000471144840 885689289 /nfs/dbraw/zinc/68/92/89/885689289.db2.gz KCKXNHVONDTYJE-UHFFFAOYSA-N 0 0 418.450 4.004 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000471178971 885742638 /nfs/dbraw/zinc/74/26/38/885742638.db2.gz UQMKRHXMKWMGEA-NQIIRXRSSA-N 0 0 419.485 4.186 20 5 HIBDRN CCCOc1cc(F)ccc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000471261147 885839855 /nfs/dbraw/zinc/83/98/55/885839855.db2.gz RNFWNBYIQQGVMQ-UHFFFAOYSA-N 0 0 414.336 4.385 20 5 HIBDRN COCCC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000471309419 885899231 /nfs/dbraw/zinc/89/92/31/885899231.db2.gz GSBRTWBCWNDMPF-HNNXBMFYSA-N 0 0 421.291 4.125 20 5 HIBDRN CSc1ccccc1CN(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000471317035 885907149 /nfs/dbraw/zinc/90/71/49/885907149.db2.gz LANVXSDWDRKIKK-UHFFFAOYSA-N 0 0 424.526 4.451 20 5 HIBDRN CN1c2ccc(Br)cc2N(C(=O)c2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000471320178 885911197 /nfs/dbraw/zinc/91/11/97/885911197.db2.gz BOSIMQFHBKOZTI-UHFFFAOYSA-N 0 0 410.293 4.294 20 5 HIBDRN COCCCC[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC000471337308 885942159 /nfs/dbraw/zinc/94/21/59/885942159.db2.gz RXOUIJGWBLQTSQ-OAQYLSRUSA-N 0 0 408.458 4.068 20 5 HIBDRN Cc1c(NC(=O)N(C)C)cccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000471346944 885956832 /nfs/dbraw/zinc/95/68/32/885956832.db2.gz XCSWWSIRIJLAAU-UHFFFAOYSA-N 0 0 402.426 4.052 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(OC)cc(OC)cc1OC ZINC000504093210 913004802 /nfs/dbraw/zinc/00/48/02/913004802.db2.gz QGTWOFNPQTUONW-UHFFFAOYSA-N 0 0 420.487 4.053 20 5 HIBDRN COc1cccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2cc(F)ccc2OC)c1 ZINC000471447155 886117067 /nfs/dbraw/zinc/11/70/67/886117067.db2.gz PCJUSGZYVGBJBB-OAQYLSRUSA-N 0 0 410.401 4.271 20 5 HIBDRN COc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000471452644 886128388 /nfs/dbraw/zinc/12/83/88/886128388.db2.gz OEBRABCESIUMNX-INIZCTEOSA-N 0 0 402.447 4.138 20 5 HIBDRN CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC000471462815 886144479 /nfs/dbraw/zinc/14/44/79/886144479.db2.gz QEMMRIJOTWZOHR-MRXNPFEDSA-N 0 0 410.392 4.333 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(Sc2ccc(Cl)cc2)c1 ZINC000471483188 886180145 /nfs/dbraw/zinc/18/01/45/886180145.db2.gz IVAXNBHMLGJTEJ-UHFFFAOYSA-N 0 0 415.858 4.200 20 5 HIBDRN CCc1ccc(Cl)c(CC)c1NC(=O)CCCn1ccc(C)c([N+](=O)[O-])c1=O ZINC000471495929 886197091 /nfs/dbraw/zinc/19/70/91/886197091.db2.gz LUNJMIYXLMMZEJ-UHFFFAOYSA-N 0 0 405.882 4.262 20 5 HIBDRN COC[C@H](NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1ccco1 ZINC000471511749 886213029 /nfs/dbraw/zinc/21/30/29/886213029.db2.gz LPAAMRBJJSSMMQ-ZDUSSCGKSA-N 0 0 419.484 4.221 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)c(Br)cc2C)c([N+](=O)[O-])cc1OC ZINC000471529188 886233502 /nfs/dbraw/zinc/23/35/02/886233502.db2.gz UVHZOVPZHZLLIW-UHFFFAOYSA-N 0 0 413.199 4.074 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000471532488 886236758 /nfs/dbraw/zinc/23/67/58/886236758.db2.gz OHUBOLPRZHTUPZ-YWZLYKJASA-N 0 0 418.515 4.367 20 5 HIBDRN Cc1cc(Br)c(F)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000471533924 886238706 /nfs/dbraw/zinc/23/87/06/886238706.db2.gz YSKGMXLBNAOZSL-UHFFFAOYSA-N 0 0 406.211 4.467 20 5 HIBDRN COc1ccc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000471534244 886238740 /nfs/dbraw/zinc/23/87/40/886238740.db2.gz WVCWLJHHJWMMLY-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN COc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(-n2cccn2)c1 ZINC000471537154 886242616 /nfs/dbraw/zinc/24/26/16/886242616.db2.gz LORRVLBTFJLKDA-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CCO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C12CCOCC2 ZINC000471546986 886254443 /nfs/dbraw/zinc/25/44/43/886254443.db2.gz GYOKBVMWRQVKHB-OALUTQOASA-N 0 0 422.547 4.047 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000471572525 886282921 /nfs/dbraw/zinc/28/29/21/886282921.db2.gz UTUJJRIGKXWOHI-FQEVSTJZSA-N 0 0 400.475 4.164 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)OC(C)C ZINC000471573118 886284300 /nfs/dbraw/zinc/28/43/00/886284300.db2.gz HTIQVBIZBPJYOT-JLTOFOAXSA-N 0 0 404.438 4.129 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)OC(C)C ZINC000471573123 886284727 /nfs/dbraw/zinc/28/47/27/886284727.db2.gz HTIQVBIZBPJYOT-XOBRGWDASA-N 0 0 404.438 4.129 20 5 HIBDRN CO[C@H]1CC[C@H](NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000471695675 886403578 /nfs/dbraw/zinc/40/35/78/886403578.db2.gz ZHRNXHWFRPHXFQ-HOTGVXAUSA-N 0 0 403.866 4.158 20 5 HIBDRN Cc1cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c(Br)s1 ZINC000471698874 886405679 /nfs/dbraw/zinc/40/56/79/886405679.db2.gz TVDLBFCNBIJZGC-UHFFFAOYSA-N 0 0 407.249 4.165 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)cc1C ZINC000471714160 886424703 /nfs/dbraw/zinc/42/47/03/886424703.db2.gz ORFVTCFXXPXOMP-UHFFFAOYSA-N 0 0 411.439 4.374 20 5 HIBDRN CCc1ccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1[N+](=O)[O-] ZINC000471820965 886564443 /nfs/dbraw/zinc/56/44/43/886564443.db2.gz OVTQEDVBMBOPGT-UHFFFAOYSA-N 0 0 402.397 4.171 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000471833784 886589497 /nfs/dbraw/zinc/58/94/97/886589497.db2.gz CMLJIDPOZJTDMV-UHFFFAOYSA-N 0 0 402.712 4.306 20 5 HIBDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000471872825 886650446 /nfs/dbraw/zinc/65/04/46/886650446.db2.gz XCFGWLIIRYCHDK-LBPRGKRZSA-N 0 0 401.369 4.020 20 5 HIBDRN Cc1ccc(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000471876121 886655190 /nfs/dbraw/zinc/65/51/90/886655190.db2.gz KKWBPDZREQHQST-IBGZPJMESA-N 0 0 417.874 4.020 20 5 HIBDRN Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000471891190 886673575 /nfs/dbraw/zinc/67/35/75/886673575.db2.gz WJFUVQIXNIYDEH-UHFFFAOYSA-N 0 0 406.442 4.069 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000471990251 886816197 /nfs/dbraw/zinc/81/61/97/886816197.db2.gz WXOFLTCWGASRLH-VQIMIIECSA-N 0 0 402.882 4.432 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000471990248 886816260 /nfs/dbraw/zinc/81/62/60/886816260.db2.gz WXOFLTCWGASRLH-APWZRJJASA-N 0 0 402.882 4.432 20 5 HIBDRN C[C@H](NC(=O)N1CCC[C@H](OCc2ccccc2F)C1)c1ccccc1[N+](=O)[O-] ZINC000472143714 886940428 /nfs/dbraw/zinc/94/04/28/886940428.db2.gz GZUWVCFIIHQREO-RDJZCZTQSA-N 0 0 401.438 4.186 20 5 HIBDRN COCCC1(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCC1 ZINC000472168543 886969472 /nfs/dbraw/zinc/96/94/72/886969472.db2.gz GNLZULRBDUXCBT-MRXNPFEDSA-N 0 0 412.490 4.100 20 5 HIBDRN CCN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000472201638 887002017 /nfs/dbraw/zinc/00/20/17/887002017.db2.gz ROHHZYRVXFRZGQ-UHFFFAOYSA-N 0 0 413.377 4.310 20 5 HIBDRN O=C(c1ccc2nc(C(F)(F)F)cn2c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000472339159 887174930 /nfs/dbraw/zinc/17/49/30/887174930.db2.gz SJNUCLDYFTYCMY-QGZVFWFLSA-N 0 0 422.388 4.149 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1 ZINC000472364440 887201224 /nfs/dbraw/zinc/20/12/24/887201224.db2.gz AFTLOCBTYMSTJY-GFCCVEGCSA-N 0 0 405.414 4.180 20 5 HIBDRN Cc1cc(-c2noc([C@@H](C)NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)n2)ccc1F ZINC000472375574 887216706 /nfs/dbraw/zinc/21/67/06/887216706.db2.gz UDAGFKYSIACJQI-LLVKDONJSA-N 0 0 418.812 4.166 20 5 HIBDRN CCSCc1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)no1 ZINC000472382928 887225825 /nfs/dbraw/zinc/22/58/25/887225825.db2.gz DTVHKXPFGVXQJS-UHFFFAOYSA-N 0 0 404.473 4.236 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC000472387691 887232160 /nfs/dbraw/zinc/23/21/60/887232160.db2.gz YNCPGZFNRHHCKV-LBPRGKRZSA-N 0 0 416.434 4.062 20 5 HIBDRN 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889920920 /nfs/dbraw/zinc/92/09/20/889920920.db2.gz BPHOUIFFBIVASC-CYBMUJFWSA-N 0 0 409.273 4.004 20 5 HIBDRN CCCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000504656104 913396823 /nfs/dbraw/zinc/39/68/23/913396823.db2.gz VHECHOWXKKUSMZ-OAHLLOKOSA-N 0 0 414.462 4.265 20 5 HIBDRN CC(C)CN(CC(C)(C)C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000475170538 890036574 /nfs/dbraw/zinc/03/65/74/890036574.db2.gz BYMBLBVHNWYAPM-UHFFFAOYSA-N 0 0 405.524 4.019 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(-n2ccnn2)cc1 ZINC000475193140 890063210 /nfs/dbraw/zinc/06/32/10/890063210.db2.gz SCYXZUDHWFGLFL-NSHDSACASA-N 0 0 420.351 4.077 20 5 HIBDRN Cc1cccc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)n1 ZINC000475212295 890082260 /nfs/dbraw/zinc/08/22/60/890082260.db2.gz MWIOPUUGTVRYQX-UHFFFAOYSA-N 0 0 423.395 4.108 20 5 HIBDRN CC(C)n1cc2c(n1)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 ZINC000475220606 890089842 /nfs/dbraw/zinc/08/98/42/890089842.db2.gz SKDVWQRHETWSNZ-CYBMUJFWSA-N 0 0 411.384 4.070 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cn(-c2ccccc2)nn1 ZINC000475233665 890105563 /nfs/dbraw/zinc/10/55/63/890105563.db2.gz MGEJNUWQJQSMJL-NSHDSACASA-N 0 0 420.351 4.077 20 5 HIBDRN C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475235339 890107809 /nfs/dbraw/zinc/10/78/09/890107809.db2.gz OVENCNIODWXJPI-ZDUSSCGKSA-N 0 0 411.380 4.419 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cc(C(C)=O)ccc2Cl)cc1[N+](=O)[O-] ZINC000475295638 890201915 /nfs/dbraw/zinc/20/19/15/890201915.db2.gz GIAKVBISWAJZNE-UHFFFAOYSA-N 0 0 408.863 4.331 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000475301436 890210318 /nfs/dbraw/zinc/21/03/18/890210318.db2.gz WVDNGGCMRRZRHW-VXGBXAGGSA-N 0 0 410.293 4.116 20 5 HIBDRN CCc1nc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)nn1-c1c(Cl)cccc1Cl ZINC000475301961 890210342 /nfs/dbraw/zinc/21/03/42/890210342.db2.gz XSONUEFSZLSKGS-UHFFFAOYSA-N 0 0 421.244 4.000 20 5 HIBDRN 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416.499 4.437 20 5 HIBDRN O=C(c1cc2sc(N3CCCC3)nc2s1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000476094551 891015341 /nfs/dbraw/zinc/01/53/41/891015341.db2.gz ZAIGFGZLSWIHSS-UHFFFAOYSA-N 0 0 400.485 4.069 20 5 HIBDRN COc1cccc(C2=CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c1 ZINC000476143036 891065265 /nfs/dbraw/zinc/06/52/65/891065265.db2.gz IGTGEWZAZSOKFP-UHFFFAOYSA-N 0 0 421.497 4.136 20 5 HIBDRN C[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000476346490 891250592 /nfs/dbraw/zinc/25/05/92/891250592.db2.gz GZGYXGJHOZGYGS-ZDUSSCGKSA-N 0 0 411.433 4.165 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000476457330 891369874 /nfs/dbraw/zinc/36/98/74/891369874.db2.gz HGULMCGAAHDVFP-UHFFFAOYSA-N 0 0 410.434 4.007 20 5 HIBDRN O=C(NC[C@H]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000476533944 891447424 /nfs/dbraw/zinc/44/74/24/891447424.db2.gz LRAKCTOYEAWFEM-SWLSCSKDSA-N 0 0 406.891 4.290 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000504838499 913561880 /nfs/dbraw/zinc/56/18/80/913561880.db2.gz JKXHHNKMMHCCCS-GFCCVEGCSA-N 0 0 421.276 4.272 20 5 HIBDRN CC(C)CN([C@H]1CCCc2cccnc21)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000476570284 891488649 /nfs/dbraw/zinc/48/86/49/891488649.db2.gz ULOADRXJTNDKLP-INIZCTEOSA-N 0 0 423.922 4.368 20 5 HIBDRN CCCN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000476581829 891507951 /nfs/dbraw/zinc/50/79/51/891507951.db2.gz OQWVSDIKNWQESB-GOSISDBHSA-N 0 0 403.504 4.085 20 5 HIBDRN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c2cccc(F)c2O1 ZINC000476609546 891544141 /nfs/dbraw/zinc/54/41/41/891544141.db2.gz LNVLARMGEJNBIG-MRVPVSSYSA-N 0 0 421.233 4.017 20 5 HIBDRN CCCN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000476637295 891575636 /nfs/dbraw/zinc/57/56/36/891575636.db2.gz WSYNNBDJJHFMHN-QGZVFWFLSA-N 0 0 403.504 4.085 20 5 HIBDRN COc1c(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000476661814 891609051 /nfs/dbraw/zinc/60/90/51/891609051.db2.gz OHNNREKLQSQEAD-AWEZNQCLSA-N 0 0 420.290 4.238 20 5 HIBDRN Cc1cc(C)n(-c2ccc(-c3noc(-c4cc5cc([N+](=O)[O-])ccc5o4)n3)cn2)n1 ZINC000504854010 913580319 /nfs/dbraw/zinc/58/03/19/913580319.db2.gz TWKKCEJBPDSGTG-UHFFFAOYSA-N 0 0 402.370 4.256 20 5 HIBDRN COc1ccccc1Oc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000476711208 891670853 /nfs/dbraw/zinc/67/08/53/891670853.db2.gz KXASGDGOINIQNY-UHFFFAOYSA-N 0 0 421.453 4.438 20 5 HIBDRN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000504865219 913595089 /nfs/dbraw/zinc/59/50/89/913595089.db2.gz VMMSGMBFKBBKQZ-SNVBAGLBSA-N 0 0 411.241 4.034 20 5 HIBDRN Cc1sc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)nc1-c1ccc2c(c1)CCC2 ZINC000476931632 891875651 /nfs/dbraw/zinc/87/56/51/891875651.db2.gz YEBPYCKGFHTSOL-UHFFFAOYSA-N 0 0 411.487 4.086 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000476945592 891884608 /nfs/dbraw/zinc/88/46/08/891884608.db2.gz NDRXVTRURZNTSS-UHFFFAOYSA-N 0 0 410.861 4.067 20 5 HIBDRN COc1ccc(C2(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CCCC2)cc1 ZINC000476981190 891908287 /nfs/dbraw/zinc/90/82/87/891908287.db2.gz OBBBKSBPAJUAHU-UHFFFAOYSA-N 0 0 410.879 4.005 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000477058611 891991755 /nfs/dbraw/zinc/99/17/55/891991755.db2.gz QWVKEAGYALDSQE-UHFFFAOYSA-N 0 0 421.478 4.256 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000477069356 892002888 /nfs/dbraw/zinc/00/28/88/892002888.db2.gz QTEZCXQKTHMXOK-UHFFFAOYSA-N 0 0 421.856 4.487 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(Sc2nncn2C)cc1 ZINC000477191274 892114169 /nfs/dbraw/zinc/11/41/69/892114169.db2.gz MCAVCZSFNDVZHT-UHFFFAOYSA-N 0 0 403.851 4.089 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@]2(C1)OCc1ccccc12 ZINC000477194500 892118058 /nfs/dbraw/zinc/11/80/58/892118058.db2.gz RVIHLDJUVACYTM-OAQYLSRUSA-N 0 0 415.877 4.022 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000477203021 892132795 /nfs/dbraw/zinc/13/27/95/892132795.db2.gz ABYRVYNPUGNJLC-UHFFFAOYSA-N 0 0 410.817 4.456 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(CSC2CCOCC2)c1 ZINC000477213607 892143927 /nfs/dbraw/zinc/14/39/27/892143927.db2.gz HFVVQZBDFBVHAI-UHFFFAOYSA-N 0 0 404.463 4.327 20 5 HIBDRN COCCC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000477262387 892213962 /nfs/dbraw/zinc/21/39/62/892213962.db2.gz WHTIMIJBDYPEPS-UHFFFAOYSA-N 0 0 413.312 4.003 20 5 HIBDRN Cc1ccc(OCCCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 ZINC000504913944 913648780 /nfs/dbraw/zinc/64/87/80/913648780.db2.gz IRAPFCKSFOWQJI-UHFFFAOYSA-N 0 0 412.364 4.043 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)ccc1[N+](=O)[O-] ZINC000477376022 892336447 /nfs/dbraw/zinc/33/64/47/892336447.db2.gz SQXSHJLEXIYTPY-UHFFFAOYSA-N 0 0 422.485 4.054 20 5 HIBDRN CC(C)(C)c1cccc(OCCCn2cc(Br)c(=O)c([N+](=O)[O-])c2)c1 ZINC000477397800 892353243 /nfs/dbraw/zinc/35/32/43/892353243.db2.gz MGKMWIAPGPXRTQ-UHFFFAOYSA-N 0 0 409.280 4.286 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000477471487 892450181 /nfs/dbraw/zinc/45/01/81/892450181.db2.gz ONBIZIUTLSCSDK-NSHDSACASA-N 0 0 413.400 4.470 20 5 HIBDRN Cc1ccc(-c2ccc(C)c(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)c2)o1 ZINC000477546825 892589344 /nfs/dbraw/zinc/58/93/44/892589344.db2.gz SHHVRNLQTNFNQB-UHFFFAOYSA-N 0 0 403.398 4.305 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CC[C@H](c2ccccc2)C1 ZINC000477590283 892666114 /nfs/dbraw/zinc/66/61/14/892666114.db2.gz SECBZKSPMHIBCT-SFHVURJKSA-N 0 0 423.494 4.390 20 5 HIBDRN COc1ccc(C2(CNC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CCOCC2)cc1 ZINC000477606122 892692597 /nfs/dbraw/zinc/69/25/97/892692597.db2.gz IMSGWMFOTHOOMW-UHFFFAOYSA-N 0 0 418.877 4.043 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000512380700 921118113 /nfs/dbraw/zinc/11/81/13/921118113.db2.gz GPHVBCYUHSAJQV-GOSISDBHSA-N 0 0 412.339 4.090 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000477616582 892712004 /nfs/dbraw/zinc/71/20/04/892712004.db2.gz NVXOCJVNMNZBHX-UHFFFAOYSA-N 0 0 413.817 4.332 20 5 HIBDRN CCOC[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000477616981 892717519 /nfs/dbraw/zinc/71/75/19/892717519.db2.gz PGMNEYNXYMUKRK-HNNXBMFYSA-N 0 0 417.893 4.359 20 5 HIBDRN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000477622498 892731099 /nfs/dbraw/zinc/73/10/99/892731099.db2.gz QWEXCVHZTMFZKW-CQSZACIVSA-N 0 0 424.284 4.227 20 5 HIBDRN CCNc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000477672357 892804202 /nfs/dbraw/zinc/80/42/02/892804202.db2.gz FHLXREOJDIEOTO-LJQANCHMSA-N 0 0 413.474 4.148 20 5 HIBDRN Cn1cc(-c2cc(F)ccc2NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000477704507 892819104 /nfs/dbraw/zinc/81/91/04/892819104.db2.gz PSDFKNJQZRSKHM-UHFFFAOYSA-N 0 0 408.311 4.406 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](c3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000504965547 913702107 /nfs/dbraw/zinc/70/21/07/913702107.db2.gz NVVULLNYKLPBRC-QGZVFWFLSA-N 0 0 400.500 4.161 20 5 HIBDRN O=C(NCc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1)c1cccs1 ZINC000504968670 913707805 /nfs/dbraw/zinc/70/78/05/913707805.db2.gz HJWQBTCAFDMDBH-UHFFFAOYSA-N 0 0 406.423 4.303 20 5 HIBDRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000477801754 892875570 /nfs/dbraw/zinc/87/55/70/892875570.db2.gz WHDLBRTYQOPGIV-UHFFFAOYSA-N 0 0 404.854 4.004 20 5 HIBDRN O=C(NCC1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1)c1ccccn1 ZINC000477860002 892918347 /nfs/dbraw/zinc/91/83/47/892918347.db2.gz XEJRCGVXNGOQGC-UHFFFAOYSA-N 0 0 424.504 4.065 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000478025787 893147417 /nfs/dbraw/zinc/14/74/17/893147417.db2.gz ORSFLCLWMIYVFX-OAHLLOKOSA-N 0 0 422.407 4.034 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000478025786 893148549 /nfs/dbraw/zinc/14/85/49/893148549.db2.gz ORSFLCLWMIYVFX-HNNXBMFYSA-N 0 0 422.407 4.034 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc([N+](=O)[O-])c1C ZINC000478059568 893217914 /nfs/dbraw/zinc/21/79/14/893217914.db2.gz HDOJYQRRQDDKIC-UHFFFAOYSA-N 0 0 411.439 4.490 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1OC ZINC000478063829 893223220 /nfs/dbraw/zinc/22/32/20/893223220.db2.gz QHPNLJASBAEZKE-UHFFFAOYSA-N 0 0 418.471 4.390 20 5 HIBDRN O=C(NCCCc1ccccc1F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000478105459 893272150 /nfs/dbraw/zinc/27/21/50/893272150.db2.gz MBOQSNOOXNENSL-UHFFFAOYSA-N 0 0 400.328 4.038 20 5 HIBDRN CS(=O)(=O)c1cccc([C@@H](NCc2ccc([N+](=O)[O-])cc2F)c2ccccc2)c1 ZINC000478167049 893334418 /nfs/dbraw/zinc/33/44/18/893334418.db2.gz AUSGIIBQQWHSAB-NRFANRHFSA-N 0 0 414.458 4.017 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000478250499 893423523 /nfs/dbraw/zinc/42/35/23/893423523.db2.gz KNFOLPOMEDACIF-JSGCOSHPSA-N 0 0 424.375 4.410 20 5 HIBDRN COc1cc(CCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1OCC(F)(F)F ZINC000505025694 913767094 /nfs/dbraw/zinc/76/70/94/913767094.db2.gz XRFMNHIPVNOICU-UHFFFAOYSA-N 0 0 424.375 4.066 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000478270929 893465958 /nfs/dbraw/zinc/46/59/58/893465958.db2.gz WURNBSDWGULQEV-CJNGLKHVSA-N 0 0 421.266 4.491 20 5 HIBDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)CCC2 ZINC000478310994 893533913 /nfs/dbraw/zinc/53/39/13/893533913.db2.gz VKKNCCRRDCITQU-INIZCTEOSA-N 0 0 400.504 4.338 20 5 HIBDRN O=C(NCCCCOc1ccc(Cl)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000478319787 893547489 /nfs/dbraw/zinc/54/74/89/893547489.db2.gz YEUWVEMVODDOGB-UHFFFAOYSA-N 0 0 414.849 4.023 20 5 HIBDRN Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1F ZINC000478323029 893553204 /nfs/dbraw/zinc/55/32/04/893553204.db2.gz IUJBBWZRGNHJJM-INIZCTEOSA-N 0 0 405.227 4.431 20 5 HIBDRN NC(=O)Nc1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1F ZINC000478329323 893562326 /nfs/dbraw/zinc/56/23/26/893562326.db2.gz URIJFKDGKZTFGH-UHFFFAOYSA-N 0 0 409.377 4.220 20 5 HIBDRN CCN(CC1CCC1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000478332655 893566593 /nfs/dbraw/zinc/56/65/93/893566593.db2.gz SGPYDPALKCAENE-UHFFFAOYSA-N 0 0 413.440 4.479 20 5 HIBDRN COCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccco1 ZINC000505040141 913781847 /nfs/dbraw/zinc/78/18/47/913781847.db2.gz RTAPAAMVWHZYAW-FQEVSTJZSA-N 0 0 409.442 4.308 20 5 HIBDRN COc1ccc(OC[C@@H](O)COC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000478351492 893598214 /nfs/dbraw/zinc/59/82/14/893598214.db2.gz BSOSGGUAHHSUGR-LJQANCHMSA-N 0 0 409.438 4.149 20 5 HIBDRN C[C@@H](CC[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)OCc1ccccc1 ZINC000478385637 893660483 /nfs/dbraw/zinc/66/04/83/893660483.db2.gz UKQRQSZMLIVTSL-OFJJUDJNSA-N 0 0 414.483 4.494 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2cc(Br)cc(F)c21 ZINC000478390755 893667297 /nfs/dbraw/zinc/66/72/97/893667297.db2.gz JYJNKTZUXTZQPB-UHFFFAOYSA-N 0 0 411.252 4.178 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cccc1[N+](=O)[O-] ZINC000478401239 893683993 /nfs/dbraw/zinc/68/39/93/893683993.db2.gz SCIAFAWXZLOFKZ-LBPRGKRZSA-N 0 0 403.389 4.208 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1Br ZINC000478424664 893717681 /nfs/dbraw/zinc/71/76/81/893717681.db2.gz GMXOYORGTWPZSX-LBPRGKRZSA-N 0 0 422.279 4.235 20 5 HIBDRN O=C(NCCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000478502961 893816981 /nfs/dbraw/zinc/81/69/81/893816981.db2.gz VFOARKYXGDOIGI-UHFFFAOYSA-N 0 0 402.756 4.162 20 5 HIBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000478512252 893821363 /nfs/dbraw/zinc/82/13/63/893821363.db2.gz APTCQCMWWYBLQG-UHFFFAOYSA-N 0 0 422.488 4.203 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000478514747 893822861 /nfs/dbraw/zinc/82/28/61/893822861.db2.gz 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ICYXFITZERRITF-GOSISDBHSA-N 0 0 406.417 4.286 20 5 HIBDRN O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479389383 894691675 /nfs/dbraw/zinc/69/16/75/894691675.db2.gz PFBHFRCOFNNNRW-SFHVURJKSA-N 0 0 406.417 4.286 20 5 HIBDRN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000479392261 894696152 /nfs/dbraw/zinc/69/61/52/894696152.db2.gz KYQAMDFSJQDFJZ-MRXNPFEDSA-N 0 0 414.483 4.115 20 5 HIBDRN CC(C)CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000479398617 894700619 /nfs/dbraw/zinc/70/06/19/894700619.db2.gz UWXUCILAKGPXTL-HXUWFJFHSA-N 0 0 419.485 4.351 20 5 HIBDRN CC[C@H]1[C@H](C)CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000479411374 894720189 /nfs/dbraw/zinc/72/01/89/894720189.db2.gz AMBOZADOAVXDNS-CJNGLKHVSA-N 0 0 413.440 4.477 20 5 HIBDRN CCC[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000479475104 894797839 /nfs/dbraw/zinc/79/78/39/894797839.db2.gz LAWRZPBXHQEDJS-SJORKVTESA-N 0 0 406.280 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AXINUUHDNVNYBH-UHFFFAOYSA-N 0 0 411.380 4.152 20 5 HIBDRN C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2cccc(F)c2O1 ZINC000479713156 895009362 /nfs/dbraw/zinc/00/93/62/895009362.db2.gz MRNUNAQGSLVPSG-OAHLLOKOSA-N 0 0 402.425 4.108 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2nc1N1CCCC1 ZINC000479752412 895051407 /nfs/dbraw/zinc/05/14/07/895051407.db2.gz JZYPMTQUSMASDL-UHFFFAOYSA-N 0 0 423.498 4.177 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000479753330 895052392 /nfs/dbraw/zinc/05/23/92/895052392.db2.gz KVVUWUUIMOFZLM-BKTGTZMESA-N 0 0 413.474 4.191 20 5 HIBDRN Cc1ccn(-c2ccccc2CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000479754203 895054580 /nfs/dbraw/zinc/05/45/80/895054580.db2.gz VJBDGIGNHMATDI-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN CCC(CC)[C@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCO1 ZINC000479786466 895088891 /nfs/dbraw/zinc/08/88/91/895088891.db2.gz HPMGHFBYQOSCLG-WZONZLPQSA-N 0 0 406.526 4.255 20 5 HIBDRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000479787762 895090426 /nfs/dbraw/zinc/09/04/26/895090426.db2.gz ZUSLOLGQMSIXMQ-CQSZACIVSA-N 0 0 406.280 4.154 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2ccc(-n3nc(C)cc3C)cc2)cc([N+](=O)[O-])c1C ZINC000479796909 895099982 /nfs/dbraw/zinc/09/99/82/895099982.db2.gz MIIBXOISJMGUBB-MRXNPFEDSA-N 0 0 408.458 4.205 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000479820854 895135951 /nfs/dbraw/zinc/13/59/51/895135951.db2.gz WECFCINFXSVCTP-LBPRGKRZSA-N 0 0 414.805 4.237 20 5 HIBDRN O=C(NCCCCCOC1CCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479826653 895145321 /nfs/dbraw/zinc/14/53/21/895145321.db2.gz ATQGKPBCEUIEEB-UHFFFAOYSA-N 0 0 400.479 4.030 20 5 HIBDRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000479829522 895149733 /nfs/dbraw/zinc/14/97/33/895149733.db2.gz HZDLQRMZRQMKBV-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)c1 ZINC000479863759 895201554 /nfs/dbraw/zinc/20/15/54/895201554.db2.gz NCCZLKGTWUTDGL-UHFFFAOYSA-N 0 0 405.313 4.112 20 5 HIBDRN COc1cc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc([N+](=O)[O-])c1C ZINC000479871468 895213375 /nfs/dbraw/zinc/21/33/75/895213375.db2.gz IOKIKHSPKIPMTF-UHFFFAOYSA-N 0 0 418.862 4.260 20 5 HIBDRN Cc1nn(Cc2nc(-c3cc(Br)cs3)no2)c2ccc([N+](=O)[O-])cc12 ZINC000479940225 895291172 /nfs/dbraw/zinc/29/11/72/895291172.db2.gz NTZORZFTGBNZOB-UHFFFAOYSA-N 0 0 420.248 4.175 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000480054334 895402152 /nfs/dbraw/zinc/40/21/52/895402152.db2.gz OPCIBMRBXBTBSL-UHFFFAOYSA-N 0 0 418.453 4.155 20 5 HIBDRN COc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1OCC(F)(F)F ZINC000480059064 895406757 /nfs/dbraw/zinc/40/67/57/895406757.db2.gz LLVRKCKKYCEXAT-UHFFFAOYSA-N 0 0 413.352 4.175 20 5 HIBDRN Cc1c(CNC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cccc1[N+](=O)[O-] ZINC000480059910 895406835 /nfs/dbraw/zinc/40/68/35/895406835.db2.gz NQUISHYHAIWKGA-OAHLLOKOSA-N 0 0 412.421 4.273 20 5 HIBDRN Cc1c(CNC(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000480067619 895417537 /nfs/dbraw/zinc/41/75/37/895417537.db2.gz MVJNGXMUQWEZNX-ICSRJNTNSA-N 0 0 401.438 4.104 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc([N+](=O)[O-])c1C ZINC000480091447 895454035 /nfs/dbraw/zinc/45/40/35/895454035.db2.gz GLFCXOOAFZAFLR-UHFFFAOYSA-N 0 0 404.473 4.361 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)cc([N+](=O)[O-])c1C ZINC000480095726 895459709 /nfs/dbraw/zinc/45/97/09/895459709.db2.gz NREYTGFFKXCLAX-UHFFFAOYSA-N 0 0 403.398 4.102 20 5 HIBDRN O=[N+]([O-])c1cc(F)cc(NCc2noc(Cc3ccc(Br)cc3)n2)c1 ZINC000480159266 895544708 /nfs/dbraw/zinc/54/47/08/895544708.db2.gz BBVVJIHDYHKPOU-UHFFFAOYSA-N 0 0 407.199 4.082 20 5 HIBDRN O=C(CNc1cc(F)cc([N+](=O)[O-])c1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000480167290 895555820 /nfs/dbraw/zinc/55/58/20/895555820.db2.gz LEWBVCOKBYQCJX-INIZCTEOSA-N 0 0 414.418 4.178 20 5 HIBDRN C[C@@H]1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000480169269 895560599 /nfs/dbraw/zinc/56/05/99/895560599.db2.gz LBFRPZFTSKMNNO-IAGOWNOFSA-N 0 0 404.470 4.247 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCC(O[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000480179126 895570959 /nfs/dbraw/zinc/57/09/59/895570959.db2.gz JLWQCROFFKZWET-GOSISDBHSA-N 0 0 422.547 4.143 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000505327834 913991967 /nfs/dbraw/zinc/99/19/67/913991967.db2.gz ZHLCUZVNFVPWEM-HNNXBMFYSA-N 0 0 409.467 4.008 20 5 HIBDRN COc1ccc(NC(=O)CNc2cc3sc(C)nc3cc2Cl)c([N+](=O)[O-])c1 ZINC000480299269 895704668 /nfs/dbraw/zinc/70/46/68/895704668.db2.gz BXIJGGTYHHQAML-UHFFFAOYSA-N 0 0 406.851 4.226 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc2sc(C)nc2cc1Cl ZINC000480311964 895715742 /nfs/dbraw/zinc/71/57/42/895715742.db2.gz TXUQSADHOILRIJ-UHFFFAOYSA-N 0 0 406.851 4.226 20 5 HIBDRN Cc1c(C)c(C)c(CS(=O)(=O)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1C 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ZPABDWLTODWEOU-UHFFFAOYSA-N 0 0 416.384 4.255 20 5 HIBDRN CNC(=O)c1cc2cc(Nc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)ccc2[nH]1 ZINC000480586645 895948089 /nfs/dbraw/zinc/94/80/89/895948089.db2.gz ZICNCXYMLQNSNU-UHFFFAOYSA-N 0 0 417.425 4.153 20 5 HIBDRN COCCCC[C@@H](NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000480602773 895968507 /nfs/dbraw/zinc/96/85/07/895968507.db2.gz BOBNRFAHXQXVMD-GOSISDBHSA-N 0 0 406.504 4.048 20 5 HIBDRN CSc1ccccc1CN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480616206 895982163 /nfs/dbraw/zinc/98/21/63/895982163.db2.gz TVULTHIQOIQVOM-UHFFFAOYSA-N 0 0 421.327 4.444 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccccc2)CC1 ZINC000480618813 895985871 /nfs/dbraw/zinc/98/58/71/895985871.db2.gz FYEBXMYMMMPIMF-UHFFFAOYSA-N 0 0 400.500 4.353 20 5 HIBDRN COc1cc(CCNC(=O)N(C)[C@@H](C)c2cc(C)ccc2C)c([N+](=O)[O-])cc1OC ZINC000480625153 895992644 /nfs/dbraw/zinc/99/26/44/895992644.db2.gz SUBGVJQXAQUWKG-INIZCTEOSA-N 0 0 415.490 4.174 20 5 HIBDRN Cc1sc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000480771181 896133942 /nfs/dbraw/zinc/13/39/42/896133942.db2.gz ULXRYMKBNFXVNL-UHFFFAOYSA-N 0 0 408.423 4.108 20 5 HIBDRN Cc1c(Br)c(N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)ncc1[N+](=O)[O-] ZINC000480823881 896197121 /nfs/dbraw/zinc/19/71/21/896197121.db2.gz BJSUVVMKBWXFOQ-LSDHHAIUSA-N 0 0 414.263 4.214 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@H](C)c2ccc(Br)cn2)c([N+](=O)[O-])c1 ZINC000480826702 896200214 /nfs/dbraw/zinc/20/02/14/896200214.db2.gz KZHSJJBHOIZLNF-LLVKDONJSA-N 0 0 407.268 4.064 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000480847292 896218241 /nfs/dbraw/zinc/21/82/41/896218241.db2.gz POIQPSRODWQGCH-UHFFFAOYSA-N 0 0 418.490 4.324 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(F)c1 ZINC000480848946 896219108 /nfs/dbraw/zinc/21/91/08/896219108.db2.gz SDDIHBQTQQMMOX-UHFFFAOYSA-N 0 0 415.421 4.279 20 5 HIBDRN Cc1cc(N[C@H](C)c2ccc(Br)cn2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000480851895 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XPHSHZCBVDLIDB-UHFFFAOYSA-N 0 0 414.462 4.218 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC000481368236 896755570 /nfs/dbraw/zinc/75/55/70/896755570.db2.gz ZHDKDWSMVYTAHT-UHFFFAOYSA-N 0 0 423.454 4.191 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000481398861 896806163 /nfs/dbraw/zinc/80/61/63/896806163.db2.gz FSNGZWJMMPPZIV-UHFFFAOYSA-N 0 0 418.222 4.176 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000481420634 896823084 /nfs/dbraw/zinc/82/30/84/896823084.db2.gz BTGHACGQEPXVJE-UHFFFAOYSA-N 0 0 413.478 4.121 20 5 HIBDRN Cc1c(CNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000481460828 896854496 /nfs/dbraw/zinc/85/44/96/896854496.db2.gz CMIRBOVYTAOTSL-OAQYLSRUSA-N 0 0 417.465 4.081 20 5 HIBDRN CCOc1c(Br)cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000481470504 896859591 /nfs/dbraw/zinc/85/95/91/896859591.db2.gz ZUFDZVKRLBQCOO-UHFFFAOYSA-N 0 0 423.263 4.003 20 5 HIBDRN Cc1c(CNC(=O)COc2ccc(Br)cc2Cl)cccc1[N+](=O)[O-] ZINC000481483079 896865867 /nfs/dbraw/zinc/86/58/67/896865867.db2.gz YTLDWXWONXUNRZ-UHFFFAOYSA-N 0 0 413.655 4.014 20 5 HIBDRN COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1OC ZINC000481542251 896902634 /nfs/dbraw/zinc/90/26/34/896902634.db2.gz HZTBTRXGRMUEQU-UHFFFAOYSA-N 0 0 404.488 4.290 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN3CCO[C@H](c4ccc(F)cc4Cl)C3)n2)cc1 ZINC000481567669 896946439 /nfs/dbraw/zinc/94/64/39/896946439.db2.gz CMTAERPBADREEC-KRWDZBQOSA-N 0 0 418.812 4.011 20 5 HIBDRN COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)ccc1O ZINC000481574352 896953404 /nfs/dbraw/zinc/95/34/04/896953404.db2.gz OEPJCBBIIRCUOX-UHFFFAOYSA-N 0 0 404.488 4.329 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)c([N+](=O)[O-])cc1OCC ZINC000481584235 896965033 /nfs/dbraw/zinc/96/50/33/896965033.db2.gz JRVMSZJHKFQASY-CRAIPNDOSA-N 0 0 423.510 4.498 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000481600192 896979872 /nfs/dbraw/zinc/97/98/72/896979872.db2.gz REEYDZYAEJGTJK-BFUOFWGJSA-N 0 0 421.856 4.096 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)cs1 ZINC000481604755 896985094 /nfs/dbraw/zinc/98/50/94/896985094.db2.gz MFMUFTNKLJHKEH-AWEZNQCLSA-N 0 0 401.257 4.131 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000481614407 896996531 /nfs/dbraw/zinc/99/65/31/896996531.db2.gz QKVOONHMSLYLEF-QGZVFWFLSA-N 0 0 413.218 4.209 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(OC(F)F)c(F)c1 ZINC000481641609 897026860 /nfs/dbraw/zinc/02/68/60/897026860.db2.gz PVHAAMYVTXGYAU-UHFFFAOYSA-N 0 0 403.744 4.353 20 5 HIBDRN Cc1ccc(NC(=O)c2nnc(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 ZINC000505456955 914127063 /nfs/dbraw/zinc/12/70/63/914127063.db2.gz GLHITUPZPURWCL-AWEZNQCLSA-N 0 0 411.487 4.166 20 5 HIBDRN CN(Cc1ccc(F)cc1Br)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000481678428 897061001 /nfs/dbraw/zinc/06/10/01/897061001.db2.gz UDSDJWPOYNIBDU-UHFFFAOYSA-N 0 0 420.238 4.179 20 5 HIBDRN COc1ccccc1OCC(=O)Nc1cccc(Nc2nc(C)ccc2[N+](=O)[O-])c1 ZINC000481696877 897084550 /nfs/dbraw/zinc/08/45/50/897084550.db2.gz WDTNJKSPLSNPAJ-UHFFFAOYSA-N 0 0 408.414 4.068 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(NCC2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000481707589 897096640 /nfs/dbraw/zinc/09/66/40/897096640.db2.gz UDYXJFXFCVYMPL-UHFFFAOYSA-N 0 0 406.280 4.221 20 5 HIBDRN COCCCOc1ccccc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481716503 897110218 /nfs/dbraw/zinc/11/02/18/897110218.db2.gz SQRQIENBGWFAFC-UHFFFAOYSA-N 0 0 407.854 4.028 20 5 HIBDRN O=C(NCCc1c[nH]c2ncccc12)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000505459961 914130432 /nfs/dbraw/zinc/13/04/32/914130432.db2.gz JZMRONHGEOXNSV-UHFFFAOYSA-N 0 0 402.410 4.236 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000481781746 897163709 /nfs/dbraw/zinc/16/37/09/897163709.db2.gz WWERSOMHVFPVMC-UHFFFAOYSA-N 0 0 418.169 4.010 20 5 HIBDRN Cc1ccc(-n2c(Sc3ncc(C)cc3[N+](=O)[O-])nnc2-c2ccccn2)cc1 ZINC000481816988 897189709 /nfs/dbraw/zinc/18/97/09/897189709.db2.gz SCCLDCDYNYOMSI-UHFFFAOYSA-N 0 0 404.455 4.401 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(C)c(-c3ncco3)c2)cc1[N+](=O)[O-] ZINC000481839461 897205880 /nfs/dbraw/zinc/20/58/80/897205880.db2.gz KNZXKNBSMMMRRB-UHFFFAOYSA-N 0 0 413.455 4.439 20 5 HIBDRN Cc1cnc(Sc2nnc(-c3ccccc3F)n2Cc2ccco2)c([N+](=O)[O-])c1 ZINC000481840018 897207470 /nfs/dbraw/zinc/20/74/70/897207470.db2.gz NFUGAAIYRPYWHZ-UHFFFAOYSA-N 0 0 411.418 4.488 20 5 HIBDRN Cc1csc(Sc2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)cc2Cl)n1 ZINC000481866429 897234999 /nfs/dbraw/zinc/23/49/99/897234999.db2.gz NLPLWRJMELECHL-UHFFFAOYSA-N 0 0 409.880 4.150 20 5 HIBDRN CCS(=O)(=O)c1c(Cl)cccc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000481887556 897262711 /nfs/dbraw/zinc/26/27/11/897262711.db2.gz ASVWUAQLHDSAMT-UHFFFAOYSA-N 0 0 408.907 4.206 20 5 HIBDRN CCS(=O)(=O)c1c(Cl)cccc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000481896238 897273839 /nfs/dbraw/zinc/27/38/39/897273839.db2.gz REHNQRYPSKHBED-UHFFFAOYSA-N 0 0 408.907 4.206 20 5 HIBDRN COCc1cccc(CNC(=O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000481942963 897329365 /nfs/dbraw/zinc/32/93/65/897329365.db2.gz DVLFWRFPQOKSCH-UHFFFAOYSA-N 0 0 420.465 4.027 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000481957905 897347322 /nfs/dbraw/zinc/34/73/22/897347322.db2.gz RAOLSABTBWPSHS-CYBMUJFWSA-N 0 0 405.501 4.203 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000481965120 897355229 /nfs/dbraw/zinc/35/52/29/897355229.db2.gz GDRZJSUMQNREGX-UHFFFAOYSA-N 0 0 413.437 4.191 20 5 HIBDRN O=C(COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000481977927 897371191 /nfs/dbraw/zinc/37/11/91/897371191.db2.gz BMUAVXYBFPHNMF-UHFFFAOYSA-N 0 0 408.479 4.211 20 5 HIBDRN COc1ccc(NC(=O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])c(OC)c1 ZINC000481982713 897377126 /nfs/dbraw/zinc/37/71/26/897377126.db2.gz QLNOCXQTXUBNLW-UHFFFAOYSA-N 0 0 422.437 4.220 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000481983009 897377811 /nfs/dbraw/zinc/37/78/11/897377811.db2.gz JFLKLVLUYCPVQU-HNNXBMFYSA-N 0 0 411.336 4.040 20 5 HIBDRN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)s1 ZINC000482011885 897410835 /nfs/dbraw/zinc/41/08/35/897410835.db2.gz CZVWSEDIJBFIFA-UHFFFAOYSA-N 0 0 403.851 4.273 20 5 HIBDRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482018854 897422693 /nfs/dbraw/zinc/42/26/93/897422693.db2.gz YNLBBPIDHOZFDD-QGZVFWFLSA-N 0 0 419.359 4.142 20 5 HIBDRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000482024391 897430809 /nfs/dbraw/zinc/43/08/09/897430809.db2.gz HZWXEXIUGWUTKF-OAHLLOKOSA-N 0 0 403.438 4.342 20 5 HIBDRN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1C(F)(F)F ZINC000482034351 897446901 /nfs/dbraw/zinc/44/69/01/897446901.db2.gz KNBOJXMANQCDGI-LBPRGKRZSA-N 0 0 409.202 4.408 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000482036461 897450844 /nfs/dbraw/zinc/45/08/44/897450844.db2.gz FDMQAWCQNCLLLV-OAHLLOKOSA-N 0 0 420.453 4.384 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2OC(F)(F)F)cc1SC ZINC000482071992 897507741 /nfs/dbraw/zinc/50/77/41/897507741.db2.gz FFICKKDQZMTXAV-UHFFFAOYSA-N 0 0 416.377 4.154 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000482124600 897580715 /nfs/dbraw/zinc/58/07/15/897580715.db2.gz IDFGPMXCSMDOTI-QVKFZJNVSA-N 0 0 402.516 4.066 20 5 HIBDRN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000482142469 897602499 /nfs/dbraw/zinc/60/24/99/897602499.db2.gz KWFJQJUDRPCWFX-NSHDSACASA-N 0 0 424.404 4.416 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000482148583 897610448 /nfs/dbraw/zinc/61/04/48/897610448.db2.gz ZTQZBKXOFUAABS-OAHLLOKOSA-N 0 0 417.771 4.360 20 5 HIBDRN COc1cc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)ccc1OC1CCCC1 ZINC000482160549 897624740 /nfs/dbraw/zinc/62/47/40/897624740.db2.gz AANGAXZPLNQRHI-UHFFFAOYSA-N 0 0 409.442 4.336 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000482179856 897647218 /nfs/dbraw/zinc/64/72/18/897647218.db2.gz OZSLPPDSTSMKAJ-MRXNPFEDSA-N 0 0 408.227 4.081 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000482212031 897693229 /nfs/dbraw/zinc/69/32/29/897693229.db2.gz PDOWKBFVUSNLRV-AAEUAGOBSA-N 0 0 406.426 4.026 20 5 HIBDRN CCS[C@@H]1CCC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000482227601 897707315 /nfs/dbraw/zinc/70/73/15/897707315.db2.gz GQFFTXLPLSNUHX-WCQYABFASA-N 0 0 406.426 4.330 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1OC ZINC000482228542 897707588 /nfs/dbraw/zinc/70/75/88/897707588.db2.gz UHOQOGGMTDTZNO-AAEUAGOBSA-N 0 0 404.385 4.101 20 5 HIBDRN O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000482262879 897746614 /nfs/dbraw/zinc/74/66/14/897746614.db2.gz SLYVIWRQNOPIOW-GFCCVEGCSA-N 0 0 418.375 4.104 20 5 HIBDRN CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000482313673 897812157 /nfs/dbraw/zinc/81/21/57/897812157.db2.gz TWIFAEUGENOCQF-LJQANCHMSA-N 0 0 418.877 4.476 20 5 HIBDRN COc1ccc([C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cc1 ZINC000482350949 897863312 /nfs/dbraw/zinc/86/33/12/897863312.db2.gz KXRJBHBSRNMNSN-OAHLLOKOSA-N 0 0 417.771 4.360 20 5 HIBDRN O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000482433174 897991162 /nfs/dbraw/zinc/99/11/62/897991162.db2.gz FQRMKVNEFOCQNC-INIZCTEOSA-N 0 0 415.318 4.244 20 5 HIBDRN COCCOc1ccc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000482559088 898151174 /nfs/dbraw/zinc/15/11/74/898151174.db2.gz QZEBSALYRCIOMH-UHFFFAOYSA-N 0 0 416.764 4.127 20 5 HIBDRN Cc1cc(Br)c(O)c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000482693134 898293390 /nfs/dbraw/zinc/29/33/90/898293390.db2.gz LUQCPDWCMYDJRP-JTQLQIEISA-N 0 0 411.277 4.491 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOc2ncccc21 ZINC000482764556 898372790 /nfs/dbraw/zinc/37/27/90/898372790.db2.gz CSSHYCOJHLCUSN-UHFFFAOYSA-N 0 0 411.801 4.475 20 5 HIBDRN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482766658 898375059 /nfs/dbraw/zinc/37/50/59/898375059.db2.gz KGJFGRYRTWYFAN-FQEVSTJZSA-N 0 0 416.840 4.222 20 5 HIBDRN COc1ccc(Cc2nnc(SCc3c(F)cc([N+](=O)[O-])cc3F)o2)cc1OC ZINC000505547188 914248447 /nfs/dbraw/zinc/24/84/47/914248447.db2.gz OBRTYWOYROAGDK-UHFFFAOYSA-N 0 0 423.397 4.156 20 5 HIBDRN COc1cc(C(=O)N(C)CCOc2ccccc2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000482828243 898436463 /nfs/dbraw/zinc/43/64/63/898436463.db2.gz OPRRUGRLBBXRRS-UHFFFAOYSA-N 0 0 416.474 4.061 20 5 HIBDRN O=C(Nc1cccc(Oc2ccncc2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000482828114 898436607 /nfs/dbraw/zinc/43/66/07/898436607.db2.gz SARZGEPXLSDUEO-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN COc1cc(C(=O)N(C)CCOc2ccccc2C(C)(C)C)cc([N+](=O)[O-])c1OC ZINC000482859275 898470879 /nfs/dbraw/zinc/47/08/79/898470879.db2.gz MOPKRTTYONTFNL-UHFFFAOYSA-N 0 0 416.474 4.061 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1SC ZINC000482876722 898490666 /nfs/dbraw/zinc/49/06/66/898490666.db2.gz ILKXHPDOXPNPHV-UHFFFAOYSA-N 0 0 417.487 4.106 20 5 HIBDRN O=C(NCCCO[C@@H]1CCCc2ccccc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000505555520 914259061 /nfs/dbraw/zinc/25/90/61/914259061.db2.gz NUXWRVPWQUAGBV-JOCHJYFZSA-N 0 0 409.486 4.383 20 5 HIBDRN O=C(CSc1nccc2ccccc21)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000482911910 898530624 /nfs/dbraw/zinc/53/06/24/898530624.db2.gz SZWAZEAVTHGVJY-UHFFFAOYSA-N 0 0 401.875 4.247 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000482943183 898566660 /nfs/dbraw/zinc/56/66/60/898566660.db2.gz ULUGLYYXKZVVCY-UHFFFAOYSA-N 0 0 416.840 4.162 20 5 HIBDRN O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482985376 898624476 /nfs/dbraw/zinc/62/44/76/898624476.db2.gz XMOSBRKGLPVOOM-UHFFFAOYSA-N 0 0 414.824 4.191 20 5 HIBDRN CCCc1c(NC(=O)c2ccc([N+](=O)[O-])s2)cnn1-c1cc(F)c(OC)cc1F ZINC000482987290 898628647 /nfs/dbraw/zinc/62/86/47/898628647.db2.gz WGJXOEHDTHVTDC-UHFFFAOYSA-N 0 0 422.413 4.334 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000483017724 898675098 /nfs/dbraw/zinc/67/50/98/898675098.db2.gz FGJLPLXPELUKCW-UHFFFAOYSA-N 0 0 401.825 4.416 20 5 HIBDRN O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000483033093 898696854 /nfs/dbraw/zinc/69/68/54/898696854.db2.gz RWFFFICPERXFMT-UHFFFAOYSA-N 0 0 415.808 4.259 20 5 HIBDRN CCC[C@@](C)(CC)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000483060188 898737022 /nfs/dbraw/zinc/73/70/22/898737022.db2.gz VHKOCYOOSPPHGM-QGZVFWFLSA-N 0 0 411.505 4.039 20 5 HIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1SCc1nccn1CC(F)(F)F ZINC000483061936 898740767 /nfs/dbraw/zinc/74/07/67/898740767.db2.gz QQODTWCSTQGJDB-UHFFFAOYSA-N 0 0 404.417 4.138 20 5 HIBDRN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)Nc1ccccc1 ZINC000483122582 898809964 /nfs/dbraw/zinc/80/99/64/898809964.db2.gz PSHGZKZQZDIYOD-UHFFFAOYSA-N 0 0 407.451 4.115 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000483236653 898881450 /nfs/dbraw/zinc/88/14/50/898881450.db2.gz HMWOXWJZZSXLJE-LLVKDONJSA-N 0 0 402.838 4.023 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483243529 898885034 /nfs/dbraw/zinc/88/50/34/898885034.db2.gz VNMSNEBRYFVNMS-OAHLLOKOSA-N 0 0 404.772 4.099 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc(Br)c(Cl)s3)C2)nc1 ZINC000483268025 898906902 /nfs/dbraw/zinc/90/69/02/898906902.db2.gz ZKWSRTBFLSMXFE-SECBINFHSA-N 0 0 417.716 4.154 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(N(C)C)ccc3c2)cc1SC ZINC000483374799 899011173 /nfs/dbraw/zinc/01/11/73/899011173.db2.gz LRBWKZUSYXVUQH-UHFFFAOYSA-N 0 0 412.471 4.192 20 5 HIBDRN Cc1cc(C)c(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1I ZINC000483411917 899042535 /nfs/dbraw/zinc/04/25/35/899042535.db2.gz DLWVOMUIZJODCH-UHFFFAOYSA-N 0 0 414.174 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CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2cncc2C)CC1 ZINC000505638328 914340355 /nfs/dbraw/zinc/34/03/55/914340355.db2.gz SMEXHYHLZHKROO-UHFFFAOYSA-N 0 0 402.520 4.469 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC2(CCOCC2)c2ccccc21 ZINC000483765821 899427931 /nfs/dbraw/zinc/42/79/31/899427931.db2.gz YIJSLDILMWPLSU-OAHLLOKOSA-N 0 0 406.442 4.274 20 5 HIBDRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000483771437 899432723 /nfs/dbraw/zinc/43/27/23/899432723.db2.gz GLTJKVSVJCBYTF-UHFFFAOYSA-N 0 0 401.316 4.339 20 5 HIBDRN Cc1c(CNC(=O)C(=O)Nc2ccccc2Oc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000483823279 899501377 /nfs/dbraw/zinc/50/13/77/899501377.db2.gz UDIOZULITPDEIL-UHFFFAOYSA-N 0 0 423.400 4.090 20 5 HIBDRN Cc1c(CNC(=O)C(=O)Nc2c(F)cccc2Oc2ccccc2)cccc1[N+](=O)[O-] ZINC000483827582 899504464 /nfs/dbraw/zinc/50/44/64/899504464.db2.gz ZBJLXKFMXJNLLW-UHFFFAOYSA-N 0 0 423.400 4.090 20 5 HIBDRN CCCC[C@@H](NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)c1ccc(OC)cc1 ZINC000483855288 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C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1ccc2c(c1)NC(=O)CO2 ZINC000485401570 900699110 /nfs/dbraw/zinc/69/91/10/900699110.db2.gz GVORZNQKDCIXKL-GFCCVEGCSA-N 0 0 408.389 4.300 20 5 HIBDRN O=[N+]([O-])c1ccc(NCCc2cc(-c3ccncc3)n[nH]2)nc1-c1ccc(F)cc1 ZINC000485407227 900705113 /nfs/dbraw/zinc/70/51/13/900705113.db2.gz MWSRWPWPEORABN-UHFFFAOYSA-N 0 0 404.405 4.236 20 5 HIBDRN CNC(=O)c1ccc(N2CCC[C@H]2c2ccc(Br)c(C)c2)c([N+](=O)[O-])c1 ZINC000485406253 900705338 /nfs/dbraw/zinc/70/53/38/900705338.db2.gz LIBXOHFMCZFDDE-INIZCTEOSA-N 0 0 418.291 4.367 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(N3CCCC3)s2)nc1-c1ccc(F)cc1 ZINC000485417885 900715790 /nfs/dbraw/zinc/71/57/90/900715790.db2.gz OLSCKZJZRUEIHV-UHFFFAOYSA-N 0 0 403.464 4.399 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000485427206 900725144 /nfs/dbraw/zinc/72/51/44/900725144.db2.gz BPOSFWIDOLXMHI-GFCCVEGCSA-N 0 0 409.364 4.080 20 5 HIBDRN C[C@H](c1ccccc1)N(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1CCCC1 ZINC000485470781 900764004 /nfs/dbraw/zinc/76/40/04/900764004.db2.gz RVJPKYPMYLHPJW-OAHLLOKOSA-N 0 0 416.499 4.144 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000485484509 900775701 /nfs/dbraw/zinc/77/57/01/900775701.db2.gz ABVYYSYDMMXRKS-UHFFFAOYSA-N 0 0 406.360 4.056 20 5 HIBDRN Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000485483954 900775907 /nfs/dbraw/zinc/77/59/07/900775907.db2.gz YRVZTRGRWOFZEU-SMDDNHRTSA-N 0 0 414.409 4.121 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(=O)Nc2ccccc21 ZINC000485484136 900776435 /nfs/dbraw/zinc/77/64/35/900776435.db2.gz ZTEXXIRYQPUDLT-UHFFFAOYSA-N 0 0 417.421 4.163 20 5 HIBDRN O=[N+]([O-])c1cc(COc2cc(Br)cc(F)c2F)c2c(c1)COCO2 ZINC000485486833 900778670 /nfs/dbraw/zinc/77/86/70/900778670.db2.gz FNZYQEUQUQLBHW-UHFFFAOYSA-N 0 0 402.147 4.081 20 5 HIBDRN COc1ccccc1[C@H]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000485529933 900809557 /nfs/dbraw/zinc/80/95/57/900809557.db2.gz HTHYVAZECZMWMT-JTQLQIEISA-N 0 0 411.277 4.057 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000485551442 900825739 /nfs/dbraw/zinc/82/57/39/900825739.db2.gz UXXZNEGIIDDZFG-OAHLLOKOSA-N 0 0 404.426 4.042 20 5 HIBDRN CCCN1C(=O)CCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)ccc21 ZINC000485575630 900842303 /nfs/dbraw/zinc/84/23/03/900842303.db2.gz HWHJIPHUPGDINV-UHFFFAOYSA-N 0 0 419.384 4.138 20 5 HIBDRN Cc1sc(NC(=O)CCOCC(F)(F)C(F)F)nc1-c1cccc([N+](=O)[O-])c1 ZINC000485586376 900849844 /nfs/dbraw/zinc/84/98/44/900849844.db2.gz TYFRZXNAAFIGKZ-UHFFFAOYSA-N 0 0 421.372 4.272 20 5 HIBDRN CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n1 ZINC000485596962 900858322 /nfs/dbraw/zinc/85/83/22/900858322.db2.gz YOMAEWVJUGNGOY-ZDUSSCGKSA-N 0 0 422.507 4.096 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1nc2c(s1)CCCC2 ZINC000485607865 900867393 /nfs/dbraw/zinc/86/73/93/900867393.db2.gz 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CC(C)Oc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nn1 ZINC000485713962 900963384 /nfs/dbraw/zinc/96/33/84/900963384.db2.gz RPKSUBRCINJIGQ-UHFFFAOYSA-N 0 0 408.414 4.003 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)cc([N+](=O)[O-])c1C ZINC000485720423 900968742 /nfs/dbraw/zinc/96/87/42/900968742.db2.gz QYQJHKQVTULDMB-UHFFFAOYSA-N 0 0 413.817 4.377 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C12CCC2 ZINC000485720251 900968911 /nfs/dbraw/zinc/96/89/11/900968911.db2.gz VVNDLYRRKGYHFZ-NHCUHLMSSA-N 0 0 410.470 4.251 20 5 HIBDRN C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000485725821 900976774 /nfs/dbraw/zinc/97/67/74/900976774.db2.gz PTQJOROBEIMWAH-AWEZNQCLSA-N 0 0 403.454 4.261 20 5 HIBDRN COc1cc(C)ccc1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485728415 900980741 /nfs/dbraw/zinc/98/07/41/900980741.db2.gz ZAJQXXPNQKCLFV-UHFFFAOYSA-N 0 0 406.438 4.421 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC000485739299 900993872 /nfs/dbraw/zinc/99/38/72/900993872.db2.gz RXUCLTBTMQUYNH-MRXNPFEDSA-N 0 0 402.472 4.311 20 5 HIBDRN CSc1cccc(C(=O)NCCc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000485751645 901006546 /nfs/dbraw/zinc/00/65/46/901006546.db2.gz QTUKLUQHBCPDJT-UHFFFAOYSA-N 0 0 400.378 4.188 20 5 HIBDRN CSc1cccc(C(=O)NC2(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000485753943 901009793 /nfs/dbraw/zinc/00/97/93/901009793.db2.gz DUYAKJMJDDYQMU-UHFFFAOYSA-N 0 0 407.289 4.498 20 5 HIBDRN CCCCOc1ccc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1OC ZINC000485765015 901021549 /nfs/dbraw/zinc/02/15/49/901021549.db2.gz UIVMZMHBZCJXNI-UHFFFAOYSA-N 0 0 404.488 4.434 20 5 HIBDRN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])c2)n1 ZINC000485768350 901024975 /nfs/dbraw/zinc/02/49/75/901024975.db2.gz RXADXNZEBMZQPB-UHFFFAOYSA-N 0 0 410.455 4.294 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000485771249 901027940 /nfs/dbraw/zinc/02/79/40/901027940.db2.gz CJLUDXIWOSSGMI-QFIPXVFZSA-N 0 0 422.391 4.198 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](CSc2ccccc2)C1 ZINC000485774317 901030592 /nfs/dbraw/zinc/03/05/92/901030592.db2.gz RFKQBOAHAWUJOU-ZDUSSCGKSA-N 0 0 408.426 4.451 20 5 HIBDRN CC(C)C(=O)c1cnccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485773195 901030802 /nfs/dbraw/zinc/03/08/02/901030802.db2.gz VOEKZWPFXZDNFM-UHFFFAOYSA-N 0 0 419.437 4.082 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cccs2)c2ccc3c(c2)CCCC3)n1 ZINC000485775277 901032083 /nfs/dbraw/zinc/03/20/83/901032083.db2.gz RUYNYRMIIJSUST-IBGZPJMESA-N 0 0 410.499 4.271 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cs1 ZINC000485795110 901046930 /nfs/dbraw/zinc/04/69/30/901046930.db2.gz RXOFGSGVKWBROV-JTQLQIEISA-N 0 0 415.418 4.022 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000485825709 901073422 /nfs/dbraw/zinc/07/34/22/901073422.db2.gz OMUFJGSQWJDVFS-MRXNPFEDSA-N 0 0 401.894 4.466 20 5 HIBDRN CC[C@@H](C(=O)N1CCC(Nc2cc(OC)c(F)cc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000485840112 901085605 /nfs/dbraw/zinc/08/56/05/901085605.db2.gz JYOFEYCOPPSBIO-QGZVFWFLSA-N 0 0 415.465 4.339 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000485850694 901093849 /nfs/dbraw/zinc/09/38/49/901093849.db2.gz FKDXYYOHDYCAPG-UHFFFAOYSA-N 0 0 422.391 4.275 20 5 HIBDRN COc1cc(-c2nc(-c3cccc(Br)c3C)no2)cc([N+](=O)[O-])c1OC ZINC000485855692 901098863 /nfs/dbraw/zinc/09/88/63/901098863.db2.gz MZJRBRASSUVQOC-UHFFFAOYSA-N 0 0 420.219 4.400 20 5 HIBDRN C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485892670 901126040 /nfs/dbraw/zinc/12/60/40/901126040.db2.gz YWXDAHDUIGESNP-SNVBAGLBSA-N 0 0 410.293 4.294 20 5 HIBDRN Cc1sc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nc1-c1ccc(C)cc1 ZINC000485894696 901127443 /nfs/dbraw/zinc/12/74/43/901127443.db2.gz SKORAIQKDQVGPP-UHFFFAOYSA-N 0 0 411.439 4.359 20 5 HIBDRN CC[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000485916012 901142460 /nfs/dbraw/zinc/14/24/60/901142460.db2.gz AHNFPHXMLSEZQR-FQEVSTJZSA-N 0 0 422.485 4.405 20 5 HIBDRN C[C@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000485918850 901143793 /nfs/dbraw/zinc/14/37/93/901143793.db2.gz GJHMWSIRTQGPSP-MRVPVSSYSA-N 0 0 419.684 4.270 20 5 HIBDRN O=C(Nc1ccc(F)cc1OC(F)F)c1sc(Br)cc1[N+](=O)[O-] ZINC000485920484 901145711 /nfs/dbraw/zinc/14/57/11/901145711.db2.gz LAUKQFSQYRXLHF-UHFFFAOYSA-N 0 0 411.155 4.412 20 5 HIBDRN CCc1ccc([C@@H](COC)NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])o1 ZINC000485929857 901153960 /nfs/dbraw/zinc/15/39/60/901153960.db2.gz UWJOPHBWLJRRSA-HXUWFJFHSA-N 0 0 424.453 4.447 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(Cl)c(Cl)cc2OC)c(C)c([N+](=O)[O-])c1 ZINC000485951556 901170687 /nfs/dbraw/zinc/17/06/87/901170687.db2.gz OBVFQSMXUCNWSZ-UHFFFAOYSA-N 0 0 413.213 4.258 20 5 HIBDRN COC(=O)c1cc(NC(=O)Cc2csc(-c3cccs3)n2)c(C)c([N+](=O)[O-])c1 ZINC000485973168 901191472 /nfs/dbraw/zinc/19/14/72/901191472.db2.gz BFKMRHYAIGJRJG-UHFFFAOYSA-N 0 0 417.468 4.056 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1oc2ccc(F)cc2c1C ZINC000485989740 901208412 /nfs/dbraw/zinc/20/84/12/901208412.db2.gz MPRXIMMLQRBIQT-UHFFFAOYSA-N 0 0 418.446 4.457 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](Oc3ncccc3F)C2)nc1OCc1ccccc1 ZINC000486001243 901215801 /nfs/dbraw/zinc/21/58/01/901215801.db2.gz GZSJAABGVARRRE-QGZVFWFLSA-N 0 0 424.432 4.151 20 5 HIBDRN CCc1cc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc(-c2ccncc2)n1 ZINC000486017005 901225886 /nfs/dbraw/zinc/22/58/86/901225886.db2.gz MLSBPVJZIBWLQG-UHFFFAOYSA-N 0 0 403.364 4.062 20 5 HIBDRN O=C(Nc1ccccc1)c1ccc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1 ZINC000486016923 901226052 /nfs/dbraw/zinc/22/60/52/901226052.db2.gz NXAQSEHXOOLINA-UHFFFAOYSA-N 0 0 417.347 4.268 20 5 HIBDRN C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000486021476 901228775 /nfs/dbraw/zinc/22/87/75/901228775.db2.gz YIHSQPYNDFFROO-HOTGVXAUSA-N 0 0 424.501 4.031 20 5 HIBDRN 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CC1CCC(Oc2cc(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)ccn2)CC1 ZINC000505953781 914607414 /nfs/dbraw/zinc/60/74/14/914607414.db2.gz PBWISHLMJNHTAN-UHFFFAOYSA-N 0 0 408.458 4.359 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CCCC[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000487642489 902269023 /nfs/dbraw/zinc/26/90/23/902269023.db2.gz XEQUACJWEMVKAN-SFHVURJKSA-N 0 0 408.433 4.430 20 5 HIBDRN Cc1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])sc1Cc1c(F)cccc1F ZINC000487641859 902269060 /nfs/dbraw/zinc/26/90/60/902269060.db2.gz YMIOWUWNVQYDOY-UHFFFAOYSA-N 0 0 403.410 4.410 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000487650975 902275017 /nfs/dbraw/zinc/27/50/17/902275017.db2.gz JNPVIMIVXCDLRK-AULYBMBSSA-N 0 0 414.330 4.497 20 5 HIBDRN COCCCn1c(=O)c2ccccc2nc1SCc1c(Cl)cccc1[N+](=O)[O-] ZINC000487658539 902279054 /nfs/dbraw/zinc/27/90/54/902279054.db2.gz ADKZMCAROVHDOO-UHFFFAOYSA-N 0 0 419.890 4.287 20 5 HIBDRN O=C(Nc1cccc(OCc2cccnc2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487658376 902279484 /nfs/dbraw/zinc/27/94/84/902279484.db2.gz MXNQVVIDMCUUFA-UHFFFAOYSA-N 0 0 415.352 4.423 20 5 HIBDRN CCNC(=O)Nc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000487675919 902286375 /nfs/dbraw/zinc/28/63/75/902286375.db2.gz MZODWPDNHJDQHI-LBPRGKRZSA-N 0 0 420.853 4.104 20 5 HIBDRN Cn1c(SCc2c(Cl)cccc2[N+](=O)[O-])nnc1[C@H]1COc2ccccc2O1 ZINC000487681702 902289439 /nfs/dbraw/zinc/28/94/39/902289439.db2.gz YAVHHRJGNCGAKS-MRXNPFEDSA-N 0 0 418.862 4.182 20 5 HIBDRN CCN(C(=O)c1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1Cl)C(C)C ZINC000487718996 902315505 /nfs/dbraw/zinc/31/55/05/902315505.db2.gz URFZGVDDHGAMAF-UHFFFAOYSA-N 0 0 403.866 4.300 20 5 HIBDRN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487752946 902341383 /nfs/dbraw/zinc/34/13/83/902341383.db2.gz DLLCFGXYQZEOQD-ZDUSSCGKSA-N 0 0 424.682 4.019 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N[C@H](c1ccccc1)C1CCCCC1 ZINC000487879594 902423296 /nfs/dbraw/zinc/42/32/96/902423296.db2.gz QTYCVVWJWACUHA-HSZRJFAPSA-N 0 0 419.481 4.348 20 5 HIBDRN CCCCCC(=O)Nc1ccc(C(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)cc1 ZINC000487887179 902429612 /nfs/dbraw/zinc/42/96/12/902429612.db2.gz XRJWXJDYNOGKAO-UHFFFAOYSA-N 0 0 421.453 4.311 20 5 HIBDRN O=C(NCc1csc(Br)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000487976304 902500047 /nfs/dbraw/zinc/50/00/47/902500047.db2.gz RPBDGBJLQWKWHJ-UHFFFAOYSA-N 0 0 410.293 4.293 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)COc2ccccc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000487980077 902501984 /nfs/dbraw/zinc/50/19/84/902501984.db2.gz KBTDFBIOAOOTDU-CYBMUJFWSA-N 0 0 412.364 4.101 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000487981619 902504763 /nfs/dbraw/zinc/50/47/63/902504763.db2.gz ODLOUUGJJYRAKP-MRXNPFEDSA-N 0 0 415.449 4.249 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000488002065 902523463 /nfs/dbraw/zinc/52/34/63/902523463.db2.gz MLRHOTGSEGAPPJ-HNNXBMFYSA-N 0 0 412.490 4.314 20 5 HIBDRN COc1ccccc1NC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000488006280 902524867 /nfs/dbraw/zinc/52/48/67/902524867.db2.gz LLQROAZFOPAYLW-UHFFFAOYSA-N 0 0 407.426 4.476 20 5 HIBDRN CC(C)(NC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000488035558 902554156 /nfs/dbraw/zinc/55/41/56/902554156.db2.gz XAPYTPLIYZYGHF-OALUTQOASA-N 0 0 401.438 4.189 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488042125 902558414 /nfs/dbraw/zinc/55/84/14/902558414.db2.gz JXSVTIUUJCUOJF-CQSZACIVSA-N 0 0 410.449 4.265 20 5 HIBDRN C[C@@H](NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000488054834 902568967 /nfs/dbraw/zinc/56/89/67/902568967.db2.gz ZVGFLEYUOCPSEZ-SNVBAGLBSA-N 0 0 406.320 4.155 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(C(=O)c2ccccc2)CC1 ZINC000488075784 902585448 /nfs/dbraw/zinc/58/54/48/902585448.db2.gz OXDCFLGMGZJFFM-UHFFFAOYSA-N 0 0 415.877 4.095 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000488076852 902585934 /nfs/dbraw/zinc/58/59/34/902585934.db2.gz FQTTZRQWHZEQTH-INIZCTEOSA-N 0 0 409.486 4.201 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000488082689 902589601 /nfs/dbraw/zinc/58/96/01/902589601.db2.gz YRSQZOCCFQDDAX-HXOBKFHXSA-N 0 0 409.486 4.023 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488134747 902632167 /nfs/dbraw/zinc/63/21/67/902632167.db2.gz BDCKBMOFMPDXMA-UHFFFAOYSA-N 0 0 407.474 4.132 20 5 HIBDRN COC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000488149867 902642703 /nfs/dbraw/zinc/64/27/03/902642703.db2.gz MHHRCADMIHYQLM-ABAIWWIYSA-N 0 0 413.257 4.173 20 5 HIBDRN O=C(N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000488217739 902697928 /nfs/dbraw/zinc/69/79/28/902697928.db2.gz LEZAIPNKIPLDRZ-OAHLLOKOSA-N 0 0 423.231 4.478 20 5 HIBDRN CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000488219978 902699712 /nfs/dbraw/zinc/69/97/12/902699712.db2.gz JKLIKMSGQCWIOS-UHFFFAOYSA-N 0 0 419.268 4.346 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(=O)OC(C)(C)C ZINC000488241820 902716768 /nfs/dbraw/zinc/71/67/68/902716768.db2.gz ZGYFDNAOYKJSNV-CYBMUJFWSA-N 0 0 402.472 4.206 20 5 HIBDRN Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1C(=O)N(C)C(C)C ZINC000488246913 902721383 /nfs/dbraw/zinc/72/13/83/902721383.db2.gz DXXPNKZAMNWDBN-UHFFFAOYSA-N 0 0 401.488 4.114 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N(C)CCCn3ccnc3)cc2[N+](=O)[O-])cc1 ZINC000488256571 902730380 /nfs/dbraw/zinc/73/03/80/902730380.db2.gz AMMKEWOGZSBGBP-UHFFFAOYSA-N 0 0 410.499 4.413 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCN(C)c3ncccc32)cc1[N+](=O)[O-] ZINC000488282932 902745241 /nfs/dbraw/zinc/74/52/41/902745241.db2.gz JIHWUJQLJNVJGZ-UHFFFAOYSA-N 0 0 400.504 4.225 20 5 HIBDRN COc1c(C)cc(CN(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC000488374408 902788820 /nfs/dbraw/zinc/78/88/20/902788820.db2.gz SAOJLSUERKQBKP-UHFFFAOYSA-N 0 0 405.882 4.258 20 5 HIBDRN O=[N+]([O-])c1ccc(Oc2nc(-c3cccnc3)nc3c2CCC3)c(Br)c1 ZINC000488411976 902814870 /nfs/dbraw/zinc/81/48/70/902814870.db2.gz NUNNIDTUECROAW-UHFFFAOYSA-N 0 0 413.231 4.490 20 5 HIBDRN O=C(NCCCO[C@@H]1CCCc2ccccc21)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000505993122 914662553 /nfs/dbraw/zinc/66/25/53/914662553.db2.gz QMGVYOHZPKKSTF-OAQYLSRUSA-N 0 0 421.453 4.063 20 5 HIBDRN CS(=O)(=O)c1ccc(NCc2ccc(-c3ccccc3)cc2F)c([N+](=O)[O-])c1 ZINC000488669449 902930142 /nfs/dbraw/zinc/93/01/42/902930142.db2.gz FOFRLYIOWGMYEB-UHFFFAOYSA-N 0 0 400.431 4.417 20 5 HIBDRN CN(C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1Cl)C1CCCCC1 ZINC000488700221 902950461 /nfs/dbraw/zinc/95/04/61/902950461.db2.gz VICKHTJYMGPLGG-UHFFFAOYSA-N 0 0 404.854 4.233 20 5 HIBDRN COC[C@@H](NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000488786743 903000054 /nfs/dbraw/zinc/00/00/54/903000054.db2.gz QOWDFBYYRAJPPB-CQSZACIVSA-N 0 0 416.808 4.336 20 5 HIBDRN Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C(=O)N1CCCCC1 ZINC000488877715 903054204 /nfs/dbraw/zinc/05/42/04/903054204.db2.gz IPIICTHEBKIAJB-UHFFFAOYSA-N 0 0 401.850 4.435 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000488916581 903075539 /nfs/dbraw/zinc/07/55/39/903075539.db2.gz JDAQDFUMKTWZKZ-UHFFFAOYSA-N 0 0 409.533 4.017 20 5 HIBDRN CC(C)N(Cc1cccs1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488970384 903100317 /nfs/dbraw/zinc/10/03/17/903100317.db2.gz MKBHACGCGBVZGO-UHFFFAOYSA-N 0 0 419.322 4.018 20 5 HIBDRN Cn1c2ccccc2nc1-c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000489017038 903122558 /nfs/dbraw/zinc/12/25/58/903122558.db2.gz RRWKKVILSZGRSD-UHFFFAOYSA-N 0 0 416.393 4.130 20 5 HIBDRN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489045651 903150810 /nfs/dbraw/zinc/15/08/10/903150810.db2.gz RCRPNOFHRXTZTE-HNNXBMFYSA-N 0 0 401.488 4.330 20 5 HIBDRN CC(C)c1nc(C2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000489138407 903226658 /nfs/dbraw/zinc/22/66/58/903226658.db2.gz LRADIVPEDAOALI-UHFFFAOYSA-N 0 0 415.494 4.013 20 5 HIBDRN CCc1noc(-c2ccc(CCNC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 ZINC000489146423 903230982 /nfs/dbraw/zinc/23/09/82/903230982.db2.gz YZBXHSKYABWYGU-OAHLLOKOSA-N 0 0 423.473 4.119 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000489169250 903242469 /nfs/dbraw/zinc/24/24/69/903242469.db2.gz HDGFWJGMLVZALE-IBGZPJMESA-N 0 0 404.470 4.408 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000489183089 903248779 /nfs/dbraw/zinc/24/87/79/903248779.db2.gz ZUXNRQWJKHKWKR-HNNXBMFYSA-N 0 0 415.515 4.114 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1O ZINC000489198239 903256717 /nfs/dbraw/zinc/25/67/17/903256717.db2.gz SAEHFFLUHMQOLP-UHFFFAOYSA-N 0 0 410.382 4.362 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000489221755 903271686 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QDHJPFSYTIQUEF-GFCCVEGCSA-N 0 0 423.458 4.172 20 5 HIBDRN O=[N+]([O-])c1ccn(CCSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)n1 ZINC000489397891 903365747 /nfs/dbraw/zinc/36/57/47/903365747.db2.gz SCIHODKWZUZVTD-UHFFFAOYSA-N 0 0 416.850 4.078 20 5 HIBDRN CCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1CC ZINC000489661953 903527636 /nfs/dbraw/zinc/52/76/36/903527636.db2.gz DHCVKZQZQZIMEG-NRFANRHFSA-N 0 0 409.486 4.271 20 5 HIBDRN O=C(CSc1nnc(CCc2ccccc2)o1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000489670955 903534089 /nfs/dbraw/zinc/53/40/89/903534089.db2.gz ZSCYBQALSAPVCA-UHFFFAOYSA-N 0 0 418.862 4.147 20 5 HIBDRN O=C(NC[C@@H]1CCC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000489681559 903541609 /nfs/dbraw/zinc/54/16/09/903541609.db2.gz VDHSTARNXWCVAD-PBHICJAKSA-N 0 0 417.893 4.141 20 5 HIBDRN C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489794647 903603778 /nfs/dbraw/zinc/60/37/78/903603778.db2.gz WFSWMZSMLZJOGI-LLVKDONJSA-N 0 0 417.878 4.163 20 5 HIBDRN O=C(COc1ccccc1Br)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000489873687 903645933 /nfs/dbraw/zinc/64/59/33/903645933.db2.gz SDYOYOXAJXWNGF-QGZVFWFLSA-N 0 0 423.288 4.010 20 5 HIBDRN CC(C)n1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)nc2ccccc21 ZINC000489879078 903647647 /nfs/dbraw/zinc/64/76/47/903647647.db2.gz ACDCEEKNFCLTIT-UHFFFAOYSA-N 0 0 418.400 4.099 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000489898124 903658164 /nfs/dbraw/zinc/65/81/64/903658164.db2.gz GTAVODYXPQNNKT-DOMZBBRYSA-N 0 0 420.453 4.432 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000489912184 903668968 /nfs/dbraw/zinc/66/89/68/903668968.db2.gz DXSXGBWQYSEHPG-APWZRJJASA-N 0 0 413.474 4.346 20 5 HIBDRN O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489965243 903699596 /nfs/dbraw/zinc/69/95/96/903699596.db2.gz LZMYVIZJKWLLDY-GQCTYLIASA-N 0 0 408.342 4.063 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000489982221 903710599 /nfs/dbraw/zinc/71/05/99/903710599.db2.gz NYBYPYSTDRPWII-GFCCVEGCSA-N 0 0 410.442 4.145 20 5 HIBDRN COc1cc(Br)ccc1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000489997984 903717594 /nfs/dbraw/zinc/71/75/94/903717594.db2.gz MLMYLSHURXXIRE-UHFFFAOYSA-N 0 0 411.277 4.018 20 5 HIBDRN CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490042730 903737766 /nfs/dbraw/zinc/73/77/66/903737766.db2.gz JBTUPTRATXUFMM-MRXNPFEDSA-N 0 0 423.473 4.192 20 5 HIBDRN COc1ccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000490119851 903776731 /nfs/dbraw/zinc/77/67/31/903776731.db2.gz QRVJKXKBIFZYMJ-HSZRJFAPSA-N 0 0 405.454 4.441 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000490205357 903827491 /nfs/dbraw/zinc/82/74/91/903827491.db2.gz WZZYSMPMKFKTJM-IBGZPJMESA-N 0 0 418.457 4.352 20 5 HIBDRN Cc1cc(C(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)n1-c1nccs1 ZINC000490206545 903827507 /nfs/dbraw/zinc/82/75/07/903827507.db2.gz IBSSIMZTWNMJDC-UHFFFAOYSA-N 0 0 410.499 4.306 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000490230688 903840500 /nfs/dbraw/zinc/84/05/00/903840500.db2.gz PGOQYCFDDOWHTH-CQSZACIVSA-N 0 0 416.474 4.107 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000490285021 903875163 /nfs/dbraw/zinc/87/51/63/903875163.db2.gz MMMVYJXNMMRRTC-UHFFFAOYSA-N 0 0 418.519 4.316 20 5 HIBDRN COC(=O)c1cccc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1OC(C)C ZINC000490354043 903947636 /nfs/dbraw/zinc/94/76/36/903947636.db2.gz JEIQNRROQXPBSK-UHFFFAOYSA-N 0 0 411.414 4.436 20 5 HIBDRN Cc1cc(F)ccc1C1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000490365762 903957176 /nfs/dbraw/zinc/95/71/76/903957176.db2.gz IWOOJTDDMMLIEU-UHFFFAOYSA-N 0 0 411.437 4.008 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000490365483 903957584 /nfs/dbraw/zinc/95/75/84/903957584.db2.gz KJVYUMMBOXUUPQ-OLZOCXBDSA-N 0 0 418.240 4.429 20 5 HIBDRN O=C(CSc1cccc(C(F)(F)F)c1)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000490366801 903959950 /nfs/dbraw/zinc/95/99/50/903959950.db2.gz MITNFUTYEPGBOH-UHFFFAOYSA-N 0 0 423.376 4.130 20 5 HIBDRN COc1cc(CN2C[C@H](C)OC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490374288 903966271 /nfs/dbraw/zinc/96/62/71/903966271.db2.gz SJDWFWBLHIONTL-KSSFIOAISA-N 0 0 422.428 4.209 20 5 HIBDRN O=C(Nc1nnc(/C=C\c2ccco2)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000490377376 903970412 /nfs/dbraw/zinc/97/04/12/903970412.db2.gz ZCZLYLOBCFUNJB-XQRVVYSFSA-N 0 0 410.333 4.481 20 5 HIBDRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000490400650 903985816 /nfs/dbraw/zinc/98/58/16/903985816.db2.gz JZXIGERJEVIUNF-UHFFFAOYSA-N 0 0 409.820 4.377 20 5 HIBDRN C[C@H]1CN(Cc2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)C[C@H](C)O1 ZINC000490403984 903987329 /nfs/dbraw/zinc/98/73/29/903987329.db2.gz XCTMAYQRTCAFPK-ROUUACIJSA-N 0 0 423.513 4.009 20 5 HIBDRN CC(C)(C)CNC(=O)c1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000490431973 904006228 /nfs/dbraw/zinc/00/62/28/904006228.db2.gz LLQPZTCKCDSOCA-UHFFFAOYSA-N 0 0 409.486 4.176 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCO[C@H](c2cccs2)C1 ZINC000490585375 904116755 /nfs/dbraw/zinc/11/67/55/904116755.db2.gz MNAOFXIPPLLONP-FQEVSTJZSA-N 0 0 423.494 4.482 20 5 HIBDRN CN(Cc1cccn1C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000490588425 904120372 /nfs/dbraw/zinc/12/03/72/904120372.db2.gz REDJQPQUYFDGKY-UHFFFAOYSA-N 0 0 412.877 4.471 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H]1n1ccnc1 ZINC000490590420 904121665 /nfs/dbraw/zinc/12/16/65/904121665.db2.gz VTLIJMUYMDKWOT-VGOFRKELSA-N 0 0 419.485 4.127 20 5 HIBDRN O=C(NCc1ccccc1N1CCCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000490641439 904151273 /nfs/dbraw/zinc/15/12/73/904151273.db2.gz XPZLPCIQUBDYMV-UHFFFAOYSA-N 0 0 405.401 4.117 20 5 HIBDRN CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000490654092 904156322 /nfs/dbraw/zinc/15/63/22/904156322.db2.gz GEPXKICEJCABRZ-GFCCVEGCSA-N 0 0 422.434 4.261 20 5 HIBDRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000490711857 904185948 /nfs/dbraw/zinc/18/59/48/904185948.db2.gz UWTHPIDNZGIHDE-GOSISDBHSA-N 0 0 423.473 4.006 20 5 HIBDRN CC1CCN(C(=O)c2ccccc2NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000490718084 904189779 /nfs/dbraw/zinc/18/97/79/904189779.db2.gz AMPKRSULJMNOPK-UHFFFAOYSA-N 0 0 406.442 4.201 20 5 HIBDRN CCn1c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccc(F)cc21 ZINC000490763658 904217194 /nfs/dbraw/zinc/21/71/94/904217194.db2.gz ZSVYVBLCLLXVRW-UHFFFAOYSA-N 0 0 411.418 4.479 20 5 HIBDRN CCOC(=O)c1cc(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000490782688 904229809 /nfs/dbraw/zinc/22/98/09/904229809.db2.gz KBCULBCFIHGQPH-QGZVFWFLSA-N 0 0 424.375 4.238 20 5 HIBDRN C[C@@H](Nc1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000490901933 904310158 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423.444 4.422 20 5 HIBDRN Cc1csc(-c2ccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2)n1 ZINC000506116889 914809513 /nfs/dbraw/zinc/80/95/13/914809513.db2.gz CGTSSJYIQMKHHF-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000491105707 904429249 /nfs/dbraw/zinc/42/92/49/904429249.db2.gz LPCKMBDTJXQGBO-KNQAVFIVSA-N 0 0 409.486 4.063 20 5 HIBDRN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000491105709 904429400 /nfs/dbraw/zinc/42/94/00/904429400.db2.gz LPCKMBDTJXQGBO-UGKGYDQZSA-N 0 0 409.486 4.063 20 5 HIBDRN C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000491195492 904477080 /nfs/dbraw/zinc/47/70/80/904477080.db2.gz WFVTUKQKGHWZKU-AWEZNQCLSA-N 0 0 418.906 4.166 20 5 HIBDRN Cc1cc([C@@H]2CN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CCO2)ccc1F ZINC000491196702 904479287 /nfs/dbraw/zinc/47/92/87/904479287.db2.gz RVVGQEOTZIRKGJ-LIRRHRJNSA-N 0 0 412.421 4.227 20 5 HIBDRN Cc1cc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccc1F ZINC000491446253 904601976 /nfs/dbraw/zinc/60/19/76/904601976.db2.gz VJBRPBAHBHTYSY-KRWDZBQOSA-N 0 0 403.410 4.247 20 5 HIBDRN Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)c1[N+](=O)[O-] ZINC000491650050 904681166 /nfs/dbraw/zinc/68/11/66/904681166.db2.gz TVPCWWQRAISHBZ-UHFFFAOYSA-N 0 0 402.472 4.262 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)F)c2ncccc12 ZINC000491977420 904748191 /nfs/dbraw/zinc/74/81/91/904748191.db2.gz PAXDOZJMLZRPMT-UHFFFAOYSA-N 0 0 405.382 4.475 20 5 HIBDRN CCOc1cc(CSCc2noc(-c3ccc(OC)cc3)n2)ccc1[N+](=O)[O-] ZINC000492001227 904757513 /nfs/dbraw/zinc/75/75/13/904757513.db2.gz QENZSCUUGLYEPE-UHFFFAOYSA-N 0 0 401.444 4.486 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000506196683 914841354 /nfs/dbraw/zinc/84/13/54/914841354.db2.gz NXGMNDBKLVZQSR-NRFANRHFSA-N 0 0 417.469 4.283 20 5 HIBDRN COC(=O)[C@H](NCc1c(Cl)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000492207882 904814918 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20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1c(C)nc2sccn21 ZINC000506218223 914849881 /nfs/dbraw/zinc/84/98/81/914849881.db2.gz VGCLUDGEJVGBNF-UHFFFAOYSA-N 0 0 404.517 4.387 20 5 HIBDRN COc1cc(CN(C)Cc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000506220329 914850154 /nfs/dbraw/zinc/85/01/54/914850154.db2.gz WFRBDLDXUJNKPG-UHFFFAOYSA-N 0 0 400.353 4.143 20 5 HIBDRN CCCS(=O)(=O)Nc1cccc(NCc2ccc([N+](=O)[O-])c(OCC)c2)c1C ZINC000492647242 904882490 /nfs/dbraw/zinc/88/24/90/904882490.db2.gz DBLFWDOJBPBLHF-UHFFFAOYSA-N 0 0 407.492 4.066 20 5 HIBDRN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000506228604 914852475 /nfs/dbraw/zinc/85/24/75/914852475.db2.gz WERDIVDTMVLEFW-LJQANCHMSA-N 0 0 409.490 4.288 20 5 HIBDRN O=C(c1cnn(Cc2ccccc2Cl)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492777844 904901351 /nfs/dbraw/zinc/90/13/51/904901351.db2.gz ZRVBTFKOIPFGDK-UHFFFAOYSA-N 0 0 410.861 4.298 20 5 HIBDRN CCOc1ncccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 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CC[C@H](NC(=O)c1cc(NC(=O)N(C)C)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000501113401 910301086 /nfs/dbraw/zinc/30/10/86/910301086.db2.gz SOSOIJHQVBYCHC-KRWDZBQOSA-N 0 0 404.854 4.223 20 5 HIBDRN Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1[N+](=O)[O-] ZINC000501124184 910307070 /nfs/dbraw/zinc/30/70/70/910307070.db2.gz YDNJMAAIGHAMBO-KRWDZBQOSA-N 0 0 420.263 4.271 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1CN(c1nccs1)S(=O)(=O)c1ccccc1 ZINC000501151231 910325749 /nfs/dbraw/zinc/32/57/49/910325749.db2.gz POIOKPXVAFAGSK-UHFFFAOYSA-N 0 0 409.876 4.100 20 5 HIBDRN O=[N+]([O-])c1cc(C[S@@](=O)Cc2ccc(Cl)c(Cl)c2)c2c(c1)COCO2 ZINC000501204961 910368525 /nfs/dbraw/zinc/36/85/25/910368525.db2.gz KEWYWSPKFGQOFW-VWLOTQADSA-N 0 0 402.255 4.217 20 5 HIBDRN O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000501297427 910452665 /nfs/dbraw/zinc/45/26/65/910452665.db2.gz YYISMVSTJIVJNE-LBPRGKRZSA-N 0 0 415.602 4.013 20 5 HIBDRN COc1ccc([C@H]2C[C@H](NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)cc1F 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PZGLHFYVDYAYKK-UHFFFAOYSA-N 0 0 424.409 4.334 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccncc1 ZINC000502709193 911743437 /nfs/dbraw/zinc/74/34/37/911743437.db2.gz OENFFTKESQWLID-MRXNPFEDSA-N 0 0 421.453 4.377 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccncc1 ZINC000502709192 911744072 /nfs/dbraw/zinc/74/40/72/911744072.db2.gz OENFFTKESQWLID-INIZCTEOSA-N 0 0 421.453 4.377 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1OCc1ccncc1 ZINC000502725547 911754628 /nfs/dbraw/zinc/75/46/28/911754628.db2.gz XREYDEALOQCMIG-INIZCTEOSA-N 0 0 421.453 4.377 20 5 HIBDRN CNC(=O)c1ccc(N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000502782739 911806635 /nfs/dbraw/zinc/80/66/35/911806635.db2.gz ZPWODOOWUZEQOG-IBGZPJMESA-N 0 0 410.861 4.399 20 5 HIBDRN Cc1c(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000502891766 911887214 /nfs/dbraw/zinc/88/72/14/911887214.db2.gz HBBSEUUUSZBGFT-UHFFFAOYSA-N 0 0 410.451 4.129 20 5 HIBDRN O=C(Nc1ccc(Nc2ccccc2)nc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000502990947 911967872 /nfs/dbraw/zinc/96/78/72/911967872.db2.gz XVCQWRKRKWMNFB-UHFFFAOYSA-N 0 0 400.398 4.171 20 5 HIBDRN CCOc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000502992099 911968739 /nfs/dbraw/zinc/96/87/39/911968739.db2.gz TVEWNQUHKWHUKM-UHFFFAOYSA-N 0 0 410.426 4.438 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(F)cc2c1OCOC2 ZINC000503005274 911981128 /nfs/dbraw/zinc/98/11/28/911981128.db2.gz RHKSLBXEVPBWPP-UHFFFAOYSA-N 0 0 406.435 4.033 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc(OC)ccc1OC ZINC000503021899 911993576 /nfs/dbraw/zinc/99/35/76/911993576.db2.gz SHQBSVRTQVRJHT-UHFFFAOYSA-N 0 0 404.488 4.087 20 5 HIBDRN Cc1c(N[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cccc1N1C(=O)CCNC1=O ZINC000503031621 912000542 /nfs/dbraw/zinc/00/05/42/912000542.db2.gz JGKGAFJEWMMOFY-APWZRJJASA-N 0 0 422.485 4.173 20 5 HIBDRN COc1ccc2ccccc2c1CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CCCC1 ZINC000503036893 912006440 /nfs/dbraw/zinc/00/64/40/912006440.db2.gz YGOOSFGSWAVIBY-UHFFFAOYSA-N 0 0 408.458 4.075 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)nc1 ZINC000503063764 912027547 /nfs/dbraw/zinc/02/75/47/912027547.db2.gz OXYFDQFFHWURLQ-QGZVFWFLSA-N 0 0 424.501 4.087 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1cc(F)cc(F)c1 ZINC000503065650 912029337 /nfs/dbraw/zinc/02/93/37/912029337.db2.gz ZQTBGAZKAPMIPD-UHFFFAOYSA-N 0 0 419.409 4.286 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(=O)OC)c2ccccc21 ZINC000503068111 912034215 /nfs/dbraw/zinc/03/42/15/912034215.db2.gz IQTSPPQTSTZEKN-INIZCTEOSA-N 0 0 400.456 4.014 20 5 HIBDRN O=C(NCCCc1nc(-c2ccncc2)cs1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000503093274 912063506 /nfs/dbraw/zinc/06/35/06/912063506.db2.gz CAZOWGRHMUTYDW-UHFFFAOYSA-N 0 0 408.439 4.222 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)N(c2cccc(N3CCCC3)c2)C2CCCCCC2)n1 ZINC000503099897 912068971 /nfs/dbraw/zinc/06/89/71/912068971.db2.gz 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CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](c2ccc(OC)c(F)c2)C1 ZINC000506318722 914915107 /nfs/dbraw/zinc/91/51/07/914915107.db2.gz UGRVYQJIVDBFDW-KBAYOESNSA-N 0 0 400.450 4.374 20 5 HIBDRN COc1c(Cl)cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl ZINC000506320658 914921815 /nfs/dbraw/zinc/92/18/15/914921815.db2.gz HXAHFUSBDYORGM-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](C)Cc2ccccc2F)c([N+](=O)[O-])cc1OCC ZINC000506338505 914952841 /nfs/dbraw/zinc/95/28/41/914952841.db2.gz ANIPLNDJVYRUES-CYBMUJFWSA-N 0 0 405.426 4.284 20 5 HIBDRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000506352323 914970971 /nfs/dbraw/zinc/97/09/71/914970971.db2.gz GQQHTKQBYDNZAD-HNNXBMFYSA-N 0 0 414.483 4.451 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000506480873 915086253 /nfs/dbraw/zinc/08/62/53/915086253.db2.gz NIPFVLUYIAEFPM-KRWDZBQOSA-N 0 0 423.485 4.408 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2C(=O)COc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC000506541735 915189896 /nfs/dbraw/zinc/18/98/96/915189896.db2.gz YEPBXLAQPCHKEI-KRWDZBQOSA-N 0 0 419.865 4.175 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC(OCc3ccccc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000506546458 915194286 /nfs/dbraw/zinc/19/42/86/915194286.db2.gz MRRUHVADRUUNGZ-UHFFFAOYSA-N 0 0 418.877 4.143 20 5 HIBDRN COc1ccc(COc2c(Cl)cncc2[N+](=O)[O-])c(Br)c1OC ZINC000506554931 915201497 /nfs/dbraw/zinc/20/14/97/915201497.db2.gz LUGVAABJJDYJDO-UHFFFAOYSA-N 0 0 403.616 4.002 20 5 HIBDRN O=[N+]([O-])c1cc(CN(CCCO)CC(F)(F)F)ccc1Oc1ccc(F)cc1 ZINC000513381851 921755095 /nfs/dbraw/zinc/75/50/95/921755095.db2.gz UDSRKVQFZVSWQF-UHFFFAOYSA-N 0 0 402.344 4.273 20 5 HIBDRN O=C(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Nc1cccc2ccccc21 ZINC000506625438 915285566 /nfs/dbraw/zinc/28/55/66/915285566.db2.gz OWEIPDKSQPEMNJ-UHFFFAOYSA-N 0 0 405.435 4.331 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2cc3ccccc3s2)cc1OC ZINC000506684277 915362269 /nfs/dbraw/zinc/36/22/69/915362269.db2.gz XJMHPNUVFSZWOZ-UHFFFAOYSA-N 0 0 400.456 4.189 20 5 HIBDRN COc1cc(COc2ccccc2-n2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000506686833 915365036 /nfs/dbraw/zinc/36/50/36/915365036.db2.gz AFKNNVQWWMFCJU-UHFFFAOYSA-N 0 0 405.357 4.012 20 5 HIBDRN CC(C)N(CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000513402357 921771035 /nfs/dbraw/zinc/77/10/35/921771035.db2.gz VAWQCEWKJZQUPQ-HNNXBMFYSA-N 0 0 405.445 4.303 20 5 HIBDRN O=C(NCCc1cc(C(F)(F)F)ccn1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000506758027 915455808 /nfs/dbraw/zinc/45/58/08/915455808.db2.gz GYOTZRCEXSVOIS-UHFFFAOYSA-N 0 0 411.383 4.068 20 5 HIBDRN CCCN(CC(=O)Nc1ccccc1C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506772993 915485871 /nfs/dbraw/zinc/48/58/71/915485871.db2.gz CJBYFHMGWYOUBJ-UHFFFAOYSA-N 0 0 421.501 4.154 20 5 HIBDRN COc1ccccc1O[C@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513411185 921780609 /nfs/dbraw/zinc/78/06/09/921780609.db2.gz KRIQYPNAEMQRNS-QAPCUYQASA-N 0 0 424.457 4.258 20 5 HIBDRN CNC(=O)c1ccc(NCC(C)(C)c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000506786289 915511442 /nfs/dbraw/zinc/51/14/42/915511442.db2.gz LBNDEUDUEWKDRN-UHFFFAOYSA-N 0 0 406.280 4.107 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2cccc(OCCc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000506810719 915565022 /nfs/dbraw/zinc/56/50/22/915565022.db2.gz DZJQJCNYOPGSEN-UHFFFAOYSA-N 0 0 419.437 4.102 20 5 HIBDRN C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1nc2ccccc2n1C(F)F ZINC000506810440 915565955 /nfs/dbraw/zinc/56/59/55/915565955.db2.gz BAOHSHDXRCPBSN-SNVBAGLBSA-N 0 0 401.373 4.397 20 5 HIBDRN CC(C)(C)Oc1cccc(C[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000506881496 915674830 /nfs/dbraw/zinc/67/48/30/915674830.db2.gz OZXDJFMFWAQQRS-GDLZYMKVSA-N 0 0 415.471 4.271 20 5 HIBDRN Cc1cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cnc1N1CCCC[C@H]1C ZINC000507007215 915819094 /nfs/dbraw/zinc/81/90/94/915819094.db2.gz OYPSDMFHVUGZFX-MRXNPFEDSA-N 0 0 409.490 4.267 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc(C(F)(F)F)c[nH]3)cc2[N+](=O)[O-])C1 ZINC000507021763 915827583 /nfs/dbraw/zinc/82/75/83/915827583.db2.gz KYTZSUYATPDUCB-QWRGUYRKSA-N 0 0 411.384 4.071 20 5 HIBDRN COc1ccc(Br)cc1[C@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000507030445 915831219 /nfs/dbraw/zinc/83/12/19/915831219.db2.gz UKPOYYRLUCFHOW-GFCCVEGCSA-N 0 0 423.292 4.417 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000507094147 915865971 /nfs/dbraw/zinc/86/59/71/915865971.db2.gz KLROLBCKPCDPAP-AWEZNQCLSA-N 0 0 415.519 4.112 20 5 HIBDRN CN(Cc1cc(Br)c2c(c1)OCCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000507121368 915878824 /nfs/dbraw/zinc/87/88/24/915878824.db2.gz OLANHVBZZQOAGK-UHFFFAOYSA-N 0 0 407.264 4.151 20 5 HIBDRN C[C@@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 ZINC000507185089 915932862 /nfs/dbraw/zinc/93/28/62/915932862.db2.gz VQOGZYMDHXDGNV-FZKQIMNGSA-N 0 0 418.291 4.379 20 5 HIBDRN COc1ccc(CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)C)c(OC)c1 ZINC000507199851 915949630 /nfs/dbraw/zinc/94/96/30/915949630.db2.gz BJSIOSOFVVAAGE-UHFFFAOYSA-N 0 0 416.474 4.279 20 5 HIBDRN C[C@@H](N[C@H](C)c1ccc(Br)cc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000507245055 916005783 /nfs/dbraw/zinc/00/57/83/916005783.db2.gz WDWOONLGPWHHGD-GHMZBOCLSA-N 0 0 410.243 4.174 20 5 HIBDRN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000507248064 916008875 /nfs/dbraw/zinc/00/88/75/916008875.db2.gz SEYBYDOQMIRGMK-MNOVXSKESA-N 0 0 410.243 4.174 20 5 HIBDRN COc1cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)ccc1[N+](=O)[O-] ZINC000507271598 916036011 /nfs/dbraw/zinc/03/60/11/916036011.db2.gz WNHSCUJOKPLUGA-IBGZPJMESA-N 0 0 406.442 4.361 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000507333439 916090911 /nfs/dbraw/zinc/09/09/11/916090911.db2.gz ULGDWUGRGSCLPK-ZDUSSCGKSA-N 0 0 421.469 4.384 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000507357529 916113523 /nfs/dbraw/zinc/11/35/23/916113523.db2.gz GSBYQYGGFWFAHC-SFHVURJKSA-N 0 0 400.500 4.181 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000507391441 916150410 /nfs/dbraw/zinc/15/04/10/916150410.db2.gz OBTSGPCIJAMDQD-UHFFFAOYSA-N 0 0 417.874 4.347 20 5 HIBDRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(SC(C)C)cc2)cc1[N+](=O)[O-] ZINC000507471118 916241493 /nfs/dbraw/zinc/24/14/93/916241493.db2.gz WZCGLHLOVBDXAY-CYBMUJFWSA-N 0 0 410.517 4.143 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1nc(C(F)(F)F)cs1 ZINC000507585963 916340286 /nfs/dbraw/zinc/34/02/86/916340286.db2.gz ODFOVFBVSBUSND-UHFFFAOYSA-N 0 0 419.406 4.302 20 5 HIBDRN Cc1ccccc1-c1noc([C@H](C)Sc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)n1 ZINC000507620441 916379390 /nfs/dbraw/zinc/37/93/90/916379390.db2.gz UYJHFCFLDCOQSN-LBPRGKRZSA-N 0 0 419.484 4.210 20 5 HIBDRN O=C(Cc1ccc(OCc2ccccn2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000507695407 916473537 /nfs/dbraw/zinc/47/35/37/916473537.db2.gz VKMGBKFQBFHTBU-UHFFFAOYSA-N 0 0 403.438 4.091 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)Nc3nnc4n3CCCC4)cc2[N+](=O)[O-])cc1 ZINC000507700620 916481291 /nfs/dbraw/zinc/48/12/91/916481291.db2.gz AWQNBEGMIRRSPF-UHFFFAOYSA-N 0 0 409.471 4.235 20 5 HIBDRN COc1cc(Br)c(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000507785361 916568438 /nfs/dbraw/zinc/56/84/38/916568438.db2.gz RSGOJIZKICZQIE-JTQLQIEISA-N 0 0 424.251 4.257 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000507801670 916584270 /nfs/dbraw/zinc/58/42/70/916584270.db2.gz MWKIHORNICPLNE-UHFFFAOYSA-N 0 0 418.496 4.150 20 5 HIBDRN COc1ccc(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000507824702 916622374 /nfs/dbraw/zinc/62/23/74/916622374.db2.gz QBWKPLHATNNGHP-LBPRGKRZSA-N 0 0 407.264 4.117 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507921077 916800611 /nfs/dbraw/zinc/80/06/11/916800611.db2.gz OQLGKLJHRCGRFJ-ZDUSSCGKSA-N 0 0 406.357 4.014 20 5 HIBDRN O=C(Cn1cccc([N+](=O)[O-])c1=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000507932258 916805155 /nfs/dbraw/zinc/80/51/55/916805155.db2.gz APYYEGGKVQFCKI-UHFFFAOYSA-N 0 0 415.858 4.200 20 5 HIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000507934755 916806882 /nfs/dbraw/zinc/80/68/82/916806882.db2.gz WLSFHBONHPIASD-INIZCTEOSA-N 0 0 413.865 4.092 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c2ccccc2OC)cc1 ZINC000507975822 916825592 /nfs/dbraw/zinc/82/55/92/916825592.db2.gz SCXFNGMMEDLMAH-JOCHJYFZSA-N 0 0 422.437 4.140 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000508016604 916853058 /nfs/dbraw/zinc/85/30/58/916853058.db2.gz UNQAKRXFVRUZOE-GFCCVEGCSA-N 0 0 402.394 4.304 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000508042194 916870679 /nfs/dbraw/zinc/87/06/79/916870679.db2.gz FHHBGIYPOBUQRI-GFCCVEGCSA-N 0 0 402.394 4.304 20 5 HIBDRN Cc1cc(N2CCCCCC2)ccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000508098931 916915086 /nfs/dbraw/zinc/91/50/86/916915086.db2.gz CIDDQTWBJLWBAR-UHFFFAOYSA-N 0 0 403.504 4.226 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000508198836 917019077 /nfs/dbraw/zinc/01/90/77/917019077.db2.gz YOQCFCHKUJGBLQ-NSHDSACASA-N 0 0 419.359 4.228 20 5 HIBDRN C[C@@H](O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000508206401 917025641 /nfs/dbraw/zinc/02/56/41/917025641.db2.gz SHZPZPKHJKFHCY-CHWSQXEVSA-N 0 0 406.891 4.242 20 5 HIBDRN O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000508209604 917028531 /nfs/dbraw/zinc/02/85/31/917028531.db2.gz CLLXQADIDPEBQM-UHFFFAOYSA-N 0 0 417.371 4.053 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000508688385 917450827 /nfs/dbraw/zinc/45/08/27/917450827.db2.gz WKVURWNGPNURNE-UHFFFAOYSA-N 0 0 422.832 4.180 20 5 HIBDRN Cc1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c2cc(Br)ccc2n1 ZINC000508784932 917539826 /nfs/dbraw/zinc/53/98/26/917539826.db2.gz OLMYTPBFHXQSON-UHFFFAOYSA-N 0 0 412.243 4.417 20 5 HIBDRN CCOc1ccc(C2=CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3OC)CC2)cc1 ZINC000508790214 917545600 /nfs/dbraw/zinc/54/56/00/917545600.db2.gz RMBNDBRGIUCZMX-UHFFFAOYSA-N 0 0 411.458 4.001 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NCc2ccccc2Cn2cncn2)c([N+](=O)[O-])c1 ZINC000508815913 917570722 /nfs/dbraw/zinc/57/07/22/917570722.db2.gz FIAFYUFQJWKYNE-UHFFFAOYSA-N 0 0 413.437 4.078 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCc3cnc4ccccc4c3)cc2[N+](=O)[O-])C1 ZINC000508949761 917706461 /nfs/dbraw/zinc/70/64/61/917706461.db2.gz KXGBZGOOVIBGLA-MRXNPFEDSA-N 0 0 404.470 4.309 20 5 HIBDRN COc1cc(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000508951599 917708444 /nfs/dbraw/zinc/70/84/44/917708444.db2.gz SYYMMTCKWXNVOH-SFHVURJKSA-N 0 0 410.401 4.293 20 5 HIBDRN CN(C)C(=O)C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)c2ccc(Cl)cc21 ZINC000509007961 917761475 /nfs/dbraw/zinc/76/14/75/917761475.db2.gz KBJHMLFKCANQBN-NSHDSACASA-N 0 0 409.820 4.109 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c(F)c1 ZINC000509007434 917761993 /nfs/dbraw/zinc/76/19/93/917761993.db2.gz HGWWBCXCCTXBDC-CQSZACIVSA-N 0 0 405.449 4.418 20 5 HIBDRN CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000509018452 917772105 /nfs/dbraw/zinc/77/21/05/917772105.db2.gz ZTRMSVISTUJURM-UHFFFAOYSA-N 0 0 410.211 4.323 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000509039418 917792221 /nfs/dbraw/zinc/79/22/21/917792221.db2.gz KLOVKBKBWJWTAB-QFIPXVFZSA-N 0 0 424.478 4.218 20 5 HIBDRN COc1cc(CSCc2ncnn2C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000509133805 917862180 /nfs/dbraw/zinc/86/21/80/917862180.db2.gz ANROUWZRESUAOT-UHFFFAOYSA-N 0 0 416.450 4.027 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2c(cccc2F)n1C ZINC000509143691 917868036 /nfs/dbraw/zinc/86/80/36/917868036.db2.gz MRKMOJOKDLVDRQ-UHFFFAOYSA-N 0 0 416.478 4.095 20 5 HIBDRN C[C@H](NC(=O)C1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000509161151 917878078 /nfs/dbraw/zinc/87/80/78/917878078.db2.gz JMWZMOJLZMCHKR-LBPRGKRZSA-N 0 0 419.528 4.441 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000509178201 917889196 /nfs/dbraw/zinc/88/91/96/917889196.db2.gz JRCXACXBUMCGCO-LJQANCHMSA-N 0 0 410.442 4.154 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000509182585 917893074 /nfs/dbraw/zinc/89/30/74/917893074.db2.gz ULVQLDDLKUXTBC-SFHVURJKSA-N 0 0 410.442 4.154 20 5 HIBDRN O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000509294341 917975540 /nfs/dbraw/zinc/97/55/40/917975540.db2.gz OGSGNRUEPKWCGE-HNNXBMFYSA-N 0 0 422.338 4.343 20 5 HIBDRN O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000509330843 918000668 /nfs/dbraw/zinc/00/06/68/918000668.db2.gz IYBAEMXTERXASM-KRWDZBQOSA-N 0 0 422.338 4.343 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3nccs3)CC2)s1 ZINC000509372072 918037955 /nfs/dbraw/zinc/03/79/55/918037955.db2.gz LSCOBBKRAOHFHS-UHFFFAOYSA-N 0 0 400.529 4.098 20 5 HIBDRN 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ZINC000509510997 918158746 /nfs/dbraw/zinc/15/87/46/918158746.db2.gz ZGYRWNLEQZRNBK-XMMPIXPASA-N 0 0 418.497 4.145 20 5 HIBDRN C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)C1 ZINC000509521191 918170531 /nfs/dbraw/zinc/17/05/31/918170531.db2.gz QZTPQYPDZSSSCC-KRWDZBQOSA-N 0 0 411.502 4.325 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1 ZINC000509549576 918198812 /nfs/dbraw/zinc/19/88/12/918198812.db2.gz QTRJYWFDPBAFTA-IFMALSPDSA-N 0 0 409.486 4.471 20 5 HIBDRN Cc1cc(N2CCOCC2)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000509549319 918198928 /nfs/dbraw/zinc/19/89/28/918198928.db2.gz NEDFECOBEMWPKN-UHFFFAOYSA-N 0 0 412.490 4.182 20 5 HIBDRN NC(=O)[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000509585770 918234728 /nfs/dbraw/zinc/23/47/28/918234728.db2.gz VUVFIXQTLQIRQX-FQEVSTJZSA-N 0 0 411.845 4.357 20 5 HIBDRN CCc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Br)cc1 ZINC000509647924 918285356 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O=[N+]([O-])c1ccc(OCCSc2nnc(COc3ccc(Cl)cc3)o2)cc1 ZINC000520688195 928735532 /nfs/dbraw/zinc/73/55/32/928735532.db2.gz QKESWVMIEYHDNS-UHFFFAOYSA-N 0 0 407.835 4.381 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000520735139 928784294 /nfs/dbraw/zinc/78/42/94/928784294.db2.gz FJWFSIJDMIIPLF-UHFFFAOYSA-N 0 0 406.394 4.463 20 5 HIBDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000520808372 928828250 /nfs/dbraw/zinc/82/82/50/928828250.db2.gz XXKZJZITVDZZGI-KRWDZBQOSA-N 0 0 424.501 4.282 20 5 HIBDRN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000520814842 928831202 /nfs/dbraw/zinc/83/12/02/928831202.db2.gz NYODCXQSFZSLGK-HXUWFJFHSA-N 0 0 407.474 4.037 20 5 HIBDRN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000520832760 928836727 /nfs/dbraw/zinc/83/67/27/928836727.db2.gz RKBVXWLWEMRALY-GOSISDBHSA-N 0 0 415.471 4.001 20 5 HIBDRN O=C(Nc1ccnc2ccnn21)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000520878897 928857210 /nfs/dbraw/zinc/85/72/10/928857210.db2.gz DCWVWQKDEAOTBC-UHFFFAOYSA-N 0 0 409.789 4.336 20 5 HIBDRN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000520966185 928893025 /nfs/dbraw/zinc/89/30/25/928893025.db2.gz UGVUJZCEQQNGSZ-QWHCGFSZSA-N 0 0 419.865 4.074 20 5 HIBDRN Cc1cc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc([N+](=O)[O-])c1 ZINC000520967866 928894187 /nfs/dbraw/zinc/89/41/87/928894187.db2.gz DIHQSXWKPCMMIZ-UHFFFAOYSA-N 0 0 410.817 4.456 20 5 HIBDRN CC(=O)c1cccc(O[C@@H](C)C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1 ZINC000521022086 928940235 /nfs/dbraw/zinc/94/02/35/928940235.db2.gz HTOVOGBMMDXHSI-AWEZNQCLSA-N 0 0 424.375 4.156 20 5 HIBDRN O=C(Nc1cccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c1)[C@@H]1CCCO1 ZINC000521075917 928975241 /nfs/dbraw/zinc/97/52/41/928975241.db2.gz ZQCBACSCUXDUAH-NRFANRHFSA-N 0 0 423.469 4.302 20 5 HIBDRN COc1ccc(N([C@@H](C)C2CC2)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000521075676 928975294 /nfs/dbraw/zinc/97/52/94/928975294.db2.gz ISKFFHFRDZSNAR-HNNXBMFYSA-N 0 0 404.488 4.214 20 5 HIBDRN CCOc1cccc([C@H](C)NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000521108945 929000290 /nfs/dbraw/zinc/00/02/90/929000290.db2.gz CWLVTIBXJQFTHL-AWEZNQCLSA-N 0 0 404.488 4.113 20 5 HIBDRN O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1cccc([N+](=O)[O-])c1 ZINC000521112758 929002375 /nfs/dbraw/zinc/00/23/75/929002375.db2.gz GBQSXJNXZWRVEP-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN CC(C)(c1noc(-c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1)c1ccc(Cl)cc1 ZINC000521113695 929003238 /nfs/dbraw/zinc/00/32/38/929003238.db2.gz TVGMEEILDQFUEL-UHFFFAOYSA-N 0 0 421.862 4.028 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000521131161 929012823 /nfs/dbraw/zinc/01/28/23/929012823.db2.gz JFUAYTYVLKATDV-MRXNPFEDSA-N 0 0 405.857 4.090 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000521157418 929031490 /nfs/dbraw/zinc/03/14/90/929031490.db2.gz RRWPYIHVJYCFFN-GFCCVEGCSA-N 0 0 402.394 4.304 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000521157419 929031768 /nfs/dbraw/zinc/03/17/68/929031768.db2.gz RRWPYIHVJYCFFN-LBPRGKRZSA-N 0 0 402.394 4.304 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000521158943 929032806 /nfs/dbraw/zinc/03/28/06/929032806.db2.gz ITFZDCRHPYGJDQ-GFCCVEGCSA-N 0 0 402.394 4.304 20 5 HIBDRN Cn1nc(-c2ccccc2)nc1Cc1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000521223044 929066599 /nfs/dbraw/zinc/06/65/99/929066599.db2.gz VLRJAHWSCIIEJM-UHFFFAOYSA-N 0 0 418.438 4.246 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000521266748 929091091 /nfs/dbraw/zinc/09/10/91/929091091.db2.gz SCRJYVPLZWHHSG-SNVBAGLBSA-N 0 0 402.756 4.351 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000521277121 929095917 /nfs/dbraw/zinc/09/59/17/929095917.db2.gz ZGHFYFSDGSDJKQ-JTQLQIEISA-N 0 0 418.755 4.231 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c[nH]nc1-c1ccccc1Cl ZINC000521322326 929136414 /nfs/dbraw/zinc/13/64/14/929136414.db2.gz JBPYCXANNOUOPZ-UHFFFAOYSA-N 0 0 409.833 4.092 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000521330209 929146724 /nfs/dbraw/zinc/14/67/24/929146724.db2.gz FWFBMRKMHXPLFP-KRWDZBQOSA-N 0 0 408.414 4.021 20 5 HIBDRN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000521359537 929180709 /nfs/dbraw/zinc/18/07/09/929180709.db2.gz HZNJQYHIAKHBDF-HXUWFJFHSA-N 0 0 419.485 4.466 20 5 HIBDRN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521382341 929197700 /nfs/dbraw/zinc/19/77/00/929197700.db2.gz OAXFTVCWQOCHMQ-UHFFFAOYSA-N 0 0 423.429 4.219 20 5 HIBDRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000521389983 929201792 /nfs/dbraw/zinc/20/17/92/929201792.db2.gz HLGWKKXDJYLFTI-SFHVURJKSA-N 0 0 404.850 4.323 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000521550867 929291782 /nfs/dbraw/zinc/29/17/82/929291782.db2.gz FKHYUOANIABCKS-UHFFFAOYSA-N 0 0 420.400 4.192 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)cccc1[N+](=O)[O-] ZINC000521566919 929301524 /nfs/dbraw/zinc/30/15/24/929301524.db2.gz JOKLIBUXZHLCHE-UHFFFAOYSA-N 0 0 402.410 4.382 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC000521608310 929327164 /nfs/dbraw/zinc/32/71/64/929327164.db2.gz YVEVLKJDZDYJGP-GFCCVEGCSA-N 0 0 415.247 4.034 20 5 HIBDRN CCOc1cc(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)c([N+](=O)[O-])cc1OCC ZINC000521620527 929332102 /nfs/dbraw/zinc/33/21/02/929332102.db2.gz VHRAOCBICYQPOU-HOTGVXAUSA-N 0 0 400.431 4.143 20 5 HIBDRN CCOc1cccc([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000521670683 929357961 /nfs/dbraw/zinc/35/79/61/929357961.db2.gz VTVGBLDRPJLREL-QGZVFWFLSA-N 0 0 400.478 4.431 20 5 HIBDRN COc1cc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000521760392 929421015 /nfs/dbraw/zinc/42/10/15/929421015.db2.gz LUDFOZGNPIDMJF-UHFFFAOYSA-N 0 0 424.428 4.350 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NCc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000521763668 929425265 /nfs/dbraw/zinc/42/52/65/929425265.db2.gz YTSAJTFCYMVIMA-UHFFFAOYSA-N 0 0 405.241 4.478 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000521765386 929427337 /nfs/dbraw/zinc/42/73/37/929427337.db2.gz TYCQDVQXZUEENQ-UHFFFAOYSA-N 0 0 424.478 4.438 20 5 HIBDRN Cn1c(C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)ccc1[N+](=O)[O-] ZINC000521850774 929499966 /nfs/dbraw/zinc/49/99/66/929499966.db2.gz SIHAJHNQYNJDTM-UHFFFAOYSA-N 0 0 424.501 4.435 20 5 HIBDRN COc1ccccc1-c1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000521891554 929540074 /nfs/dbraw/zinc/54/00/74/929540074.db2.gz BYOWAZNDVMIZCO-UHFFFAOYSA-N 0 0 408.336 4.327 20 5 HIBDRN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000521960684 929598429 /nfs/dbraw/zinc/59/84/29/929598429.db2.gz ARSGYNBNLFCALL-LJQANCHMSA-N 0 0 405.458 4.076 20 5 HIBDRN Cn1c(=O)oc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)ccc21 ZINC000524493664 929642353 /nfs/dbraw/zinc/64/23/53/929642353.db2.gz JBLWMVXEOCIXPA-UHFFFAOYSA-N 0 0 421.434 4.443 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccc(SC)cc1 ZINC000524497802 929644626 /nfs/dbraw/zinc/64/46/26/929644626.db2.gz ZSKOOTSUXHXVIE-OAHLLOKOSA-N 0 0 420.512 4.073 20 5 HIBDRN Cn1cccc1[C@H]1CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000524515050 929660372 /nfs/dbraw/zinc/66/03/72/929660372.db2.gz CFYTWFHWBSQCKA-MRXNPFEDSA-N 0 0 410.396 4.118 20 5 HIBDRN Cc1ccc(C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2ccccn2)cc1 ZINC000524545200 929675881 /nfs/dbraw/zinc/67/58/81/929675881.db2.gz PFANEYZOGVYURQ-IBGZPJMESA-N 0 0 400.438 4.493 20 5 HIBDRN C[C@@H](NC(=O)Nc1nnc(Cc2ccccc2F)s1)c1cccc([N+](=O)[O-])c1 ZINC000524566609 929692578 /nfs/dbraw/zinc/69/25/78/929692578.db2.gz WWNWIHDGVDBINK-LLVKDONJSA-N 0 0 401.423 4.059 20 5 HIBDRN CCCCOCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Br)cc1 ZINC000524576067 929696284 /nfs/dbraw/zinc/69/62/84/929696284.db2.gz AOPIVRIJYHKBTP-UHFFFAOYSA-N 0 0 410.268 4.149 20 5 HIBDRN O=C(NCc1ccccc1OCC1CC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000524610690 929719788 /nfs/dbraw/zinc/71/97/88/929719788.db2.gz ASTPQDATYXTELL-UHFFFAOYSA-N 0 0 407.373 4.307 20 5 HIBDRN Cn1cc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000524656248 929770043 /nfs/dbraw/zinc/77/00/43/929770043.db2.gz ZKTYAHKDJYHMJX-UHFFFAOYSA-N 0 0 408.462 4.094 20 5 HIBDRN CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000524702850 929805110 /nfs/dbraw/zinc/80/51/10/929805110.db2.gz YYGWBKCQFLZAEU-HSZRJFAPSA-N 0 0 423.444 4.454 20 5 HIBDRN COC(=O)c1ccc(Br)c(C)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000524769758 929824140 /nfs/dbraw/zinc/82/41/40/929824140.db2.gz MNCCDCJSVPZONA-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(c1cccc(F)c1)C1CCOCC1 ZINC000524835103 929851876 /nfs/dbraw/zinc/85/18/76/929851876.db2.gz QVYVMOPLNFSIJU-AWEZNQCLSA-N 0 0 404.463 4.427 20 5 HIBDRN COc1cc(OCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000524847164 929855669 /nfs/dbraw/zinc/85/56/69/929855669.db2.gz SOZATPZVWNYESC-FQEVSTJZSA-N 0 0 424.428 4.222 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1(c2cccc(Br)c2)CC1 ZINC000524857649 929860975 /nfs/dbraw/zinc/86/09/75/929860975.db2.gz FEGYFDCLHCUMMY-UHFFFAOYSA-N 0 0 414.259 4.118 20 5 HIBDRN CCCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000524860728 929862290 /nfs/dbraw/zinc/86/22/90/929862290.db2.gz SWOUVSQBGASHML-VQTJNVASSA-N 0 0 420.506 4.202 20 5 HIBDRN Cc1cccc(NC2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000524977163 929941660 /nfs/dbraw/zinc/94/16/60/929941660.db2.gz KMWAYRGCZGQNHX-UHFFFAOYSA-N 0 0 417.893 4.429 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000525005157 929967532 /nfs/dbraw/zinc/96/75/32/929967532.db2.gz QMPVZMIAIDXGPD-UHFFFAOYSA-N 0 0 410.430 4.494 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](CC)C(C)(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000525022792 929982585 /nfs/dbraw/zinc/98/25/85/929982585.db2.gz NEDJOSIPAPMSIB-FQEVSTJZSA-N 0 0 400.475 4.488 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC ZINC000525025078 929984044 /nfs/dbraw/zinc/98/40/44/929984044.db2.gz QNRHWAVKPYKWLF-UHFFFAOYSA-N 0 0 418.352 4.330 20 5 HIBDRN COc1cc(C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)cc([N+](=O)[O-])c1OC ZINC000525031377 929990207 /nfs/dbraw/zinc/99/02/07/929990207.db2.gz KCKMQUHUFXYSQT-JTQLQIEISA-N 0 0 413.257 4.452 20 5 HIBDRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000525048322 930002142 /nfs/dbraw/zinc/00/21/42/930002142.db2.gz HEGSRZJLFYIADZ-UHFFFAOYSA-N 0 0 419.865 4.042 20 5 HIBDRN COc1cc(C(=O)N[C@H](COc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000525052212 930005695 /nfs/dbraw/zinc/00/56/95/930005695.db2.gz MZTONPOUCNGLNR-LJQANCHMSA-N 0 0 422.437 4.162 20 5 HIBDRN COc1ccc(S[C@H](C)C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000525102641 930036426 /nfs/dbraw/zinc/03/64/26/930036426.db2.gz XEWPDEYNOSHLAC-YJYMSZOUSA-N 0 0 404.513 4.358 20 5 HIBDRN O=C(COc1ccc(Br)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000525105086 930038532 /nfs/dbraw/zinc/03/85/32/930038532.db2.gz XYKYRQKHGGHJPH-QGZVFWFLSA-N 0 0 423.288 4.010 20 5 HIBDRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000525115067 930045269 /nfs/dbraw/zinc/04/52/69/930045269.db2.gz FBBVLUBGNWMCAZ-UHFFFAOYSA-N 0 0 414.849 4.258 20 5 HIBDRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000525142610 930060894 /nfs/dbraw/zinc/06/08/94/930060894.db2.gz ABYXCSJSKTVHCH-UHFFFAOYSA-N 0 0 403.438 4.014 20 5 HIBDRN CCOC(=O)c1csc(N(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000525148401 930065128 /nfs/dbraw/zinc/06/51/28/930065128.db2.gz AGVSGKOCQWDFHG-UHFFFAOYSA-N 0 0 417.487 4.335 20 5 HIBDRN C[C@@H](Oc1cccc(Br)c1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000525151145 930065608 /nfs/dbraw/zinc/06/56/08/930065608.db2.gz IATZWFFGIOYLIZ-VXGBXAGGSA-N 0 0 405.248 4.102 20 5 HIBDRN C[C@@H](Oc1cccc(Br)c1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000525151143 930066061 /nfs/dbraw/zinc/06/60/61/930066061.db2.gz IATZWFFGIOYLIZ-NWDGAFQWSA-N 0 0 405.248 4.102 20 5 HIBDRN C[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000525260630 930115399 /nfs/dbraw/zinc/11/53/99/930115399.db2.gz VGIRKNIRIRKLLX-AWEZNQCLSA-N 0 0 422.407 4.206 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000525285664 930132279 /nfs/dbraw/zinc/13/22/79/930132279.db2.gz HXMFLHXNGDLZIV-UHFFFAOYSA-N 0 0 416.340 4.376 20 5 HIBDRN COC(=O)c1cc(NC(=O)CCOc2cccc(Cl)c2Cl)cc([N+](=O)[O-])c1 ZINC000525285746 930132668 /nfs/dbraw/zinc/13/26/68/930132668.db2.gz AIRVBSUZWBAUBX-UHFFFAOYSA-N 0 0 413.213 4.096 20 5 HIBDRN CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(-c2ccccc2)cc1 ZINC000525289313 930134155 /nfs/dbraw/zinc/13/41/55/930134155.db2.gz XKWSCNRZLHYSGX-UHFFFAOYSA-N 0 0 404.422 4.239 20 5 HIBDRN Cc1ccc(NCCCNC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000525320308 930159008 /nfs/dbraw/zinc/15/90/08/930159008.db2.gz LCJSDGUNMZKYTI-MRXNPFEDSA-N 0 0 423.473 4.421 20 5 HIBDRN COc1cccc(Oc2ncccc2CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000525480190 930269436 /nfs/dbraw/zinc/26/94/36/930269436.db2.gz KQWSQNLFXPHHQY-UHFFFAOYSA-N 0 0 421.453 4.385 20 5 HIBDRN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000525489582 930276163 /nfs/dbraw/zinc/27/61/63/930276163.db2.gz LYMQWNJQTLDROB-HNNXBMFYSA-N 0 0 418.877 4.117 20 5 HIBDRN COc1ccc(Br)cc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000525518983 930297778 /nfs/dbraw/zinc/29/77/78/930297778.db2.gz GVFDMZCODDVYEQ-SNVBAGLBSA-N 0 0 411.277 4.485 20 5 HIBDRN COc1ccc(CNC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)cc1[N+](=O)[O-] ZINC000525537006 930309654 /nfs/dbraw/zinc/30/96/54/930309654.db2.gz XHIRNXLZFGRRPJ-UHFFFAOYSA-N 0 0 419.865 4.171 20 5 HIBDRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000525536790 930309944 /nfs/dbraw/zinc/30/99/44/930309944.db2.gz MSQZVPVZYFAVSI-UHFFFAOYSA-N 0 0 403.866 4.205 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2ncn1CCCCOc1ccccc1C(F)(F)F ZINC000525559974 930327770 /nfs/dbraw/zinc/32/77/70/930327770.db2.gz VNBFQZNHKBGBJB-UHFFFAOYSA-N 0 0 407.348 4.183 20 5 HIBDRN COc1ccc([C@@H](C)CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000525588739 930348996 /nfs/dbraw/zinc/34/89/96/930348996.db2.gz IKOOXBBVYOTWDY-LBPRGKRZSA-N 0 0 407.264 4.290 20 5 HIBDRN COc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000525598141 930354680 /nfs/dbraw/zinc/35/46/80/930354680.db2.gz VRODGYXBHBODET-QGZVFWFLSA-N 0 0 410.398 4.093 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(=O)OC(C)(C)C)c1ccccc1 ZINC000525599336 930355330 /nfs/dbraw/zinc/35/53/30/930355330.db2.gz MKGSUIMRRBSYPY-OAHLLOKOSA-N 0 0 416.499 4.450 20 5 HIBDRN Cc1nn(C)c(C(=O)N[C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000525600401 930355361 /nfs/dbraw/zinc/35/53/61/930355361.db2.gz UUWADEHAVCMGGT-QGZVFWFLSA-N 0 0 416.840 4.257 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(CC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000525599623 930355393 /nfs/dbraw/zinc/35/53/93/930355393.db2.gz CCOSYKJOXWAIOA-UHFFFAOYSA-N 0 0 402.472 4.305 20 5 HIBDRN CC(C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000525628050 930371999 /nfs/dbraw/zinc/37/19/99/930371999.db2.gz ORUXFCJUSZZMAU-UHFFFAOYSA-N 0 0 407.264 4.173 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC2(c3cccc(Br)c3)CCOCC2)c1 ZINC000525657616 930388871 /nfs/dbraw/zinc/38/88/71/930388871.db2.gz HVACELMUUFUZET-UHFFFAOYSA-N 0 0 419.275 4.101 20 5 HIBDRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(Cl)cc1 ZINC000525671936 930398391 /nfs/dbraw/zinc/39/83/91/930398391.db2.gz XUYRWPMQXTYUIS-PSZVPEGOSA-N 0 0 402.834 4.147 20 5 HIBDRN O=C(c1cc(Br)ccc1F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000525682538 930402788 /nfs/dbraw/zinc/40/27/88/930402788.db2.gz LHHLQCYZLUYGIN-INIZCTEOSA-N 0 0 411.252 4.384 20 5 HIBDRN CC(C)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000526131438 930540961 /nfs/dbraw/zinc/54/09/61/930540961.db2.gz NNOLWNVPCCRFLC-UHFFFAOYSA-N 0 0 402.394 4.358 20 5 HIBDRN CSc1nnc(CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)s1 ZINC000527091038 930585167 /nfs/dbraw/zinc/58/51/67/930585167.db2.gz KCGFERIBARYIIC-UHFFFAOYSA-N 0 0 412.562 4.236 20 5 HIBDRN O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000527250590 930620434 /nfs/dbraw/zinc/62/04/34/930620434.db2.gz ZBWPHXOULALJKW-UHFFFAOYSA-N 0 0 414.324 4.356 20 5 HIBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCCCC1=O ZINC000527257868 930620970 /nfs/dbraw/zinc/62/09/70/930620970.db2.gz SLLDLHBPCUWJQV-OAHLLOKOSA-N 0 0 419.547 4.008 20 5 HIBDRN O=C(Nc1cccc(Cl)c1Cl)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000527349519 930643440 /nfs/dbraw/zinc/64/34/40/930643440.db2.gz MWHVYYFHYIHWTJ-UHFFFAOYSA-N 0 0 408.241 4.031 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 ZINC000527373166 930650942 /nfs/dbraw/zinc/65/09/42/930650942.db2.gz IYBUBDCZUNWUDH-UHFFFAOYSA-N 0 0 424.844 4.134 20 5 HIBDRN C[C@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000527440743 930656535 /nfs/dbraw/zinc/65/65/35/930656535.db2.gz UKBBETUELCRQMO-RMLVOYDJSA-N 0 0 407.239 4.272 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCc2cc(Br)cc(F)c2C1 ZINC000530322755 930683756 /nfs/dbraw/zinc/68/37/56/930683756.db2.gz COMYWQCJLLEEEG-UHFFFAOYSA-N 0 0 412.190 4.226 20 5 HIBDRN CC(C)(C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(OC(F)(F)F)cc1 ZINC000530400843 930701711 /nfs/dbraw/zinc/70/17/11/930701711.db2.gz YYSUTUFXJZAPOV-UHFFFAOYSA-N 0 0 408.376 4.356 20 5 HIBDRN Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000530422703 930706848 /nfs/dbraw/zinc/70/68/48/930706848.db2.gz PZUWULYAZHCAAU-UHFFFAOYSA-N 0 0 401.806 4.020 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000530484078 930722887 /nfs/dbraw/zinc/72/28/87/930722887.db2.gz BVNKWANCFYHTAC-DLBZAZTESA-N 0 0 406.360 4.182 20 5 HIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000530619272 930774935 /nfs/dbraw/zinc/77/49/35/930774935.db2.gz KRQXACFTJRUNIH-GOSISDBHSA-N 0 0 419.359 4.309 20 5 HIBDRN CCOC(=O)c1ccnc(N2CCC[C@@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000530730520 930810639 /nfs/dbraw/zinc/81/06/39/930810639.db2.gz VFRUZZAKHKUDQQ-OAHLLOKOSA-N 0 0 420.263 4.271 20 5 HIBDRN C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000530750128 930816272 /nfs/dbraw/zinc/81/62/72/930816272.db2.gz ADCLHKBSUMCRCQ-JTQLQIEISA-N 0 0 411.805 4.271 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)CCc1c(F)cccc1Cl ZINC000530773200 930820425 /nfs/dbraw/zinc/82/04/25/930820425.db2.gz XMHAQCLCHHKTEB-UHFFFAOYSA-N 0 0 422.659 4.166 20 5 HIBDRN COC(=O)CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000530998201 930880019 /nfs/dbraw/zinc/88/00/19/930880019.db2.gz KUQIGBMABBZXNR-UHFFFAOYSA-N 0 0 412.442 4.193 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000531021822 930887016 /nfs/dbraw/zinc/88/70/16/930887016.db2.gz USDBSFCVZQQIPO-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=C(N[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1)c1ccc2ccccc2c1 ZINC000531040455 930894470 /nfs/dbraw/zinc/89/44/70/930894470.db2.gz CQMDOPOGRZIYDO-FQEVSTJZSA-N 0 0 418.453 4.174 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1c2ccccc2-c2ccccc21 ZINC000531113069 930927434 /nfs/dbraw/zinc/92/74/34/930927434.db2.gz MPQJOIFYHCZKDV-UHFFFAOYSA-N 0 0 402.406 4.208 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc(Br)cc1 ZINC000531220765 930972058 /nfs/dbraw/zinc/97/20/58/930972058.db2.gz BZUARKLSXLIGRJ-INIZCTEOSA-N 0 0 404.264 4.133 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000531252127 930982762 /nfs/dbraw/zinc/98/27/62/930982762.db2.gz JPWVRJVERFXYFO-HXUWFJFHSA-N 0 0 421.497 4.075 20 5 HIBDRN Cc1nn(C)c(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1[N+](=O)[O-] ZINC000531280586 930997792 /nfs/dbraw/zinc/99/77/92/930997792.db2.gz OMYFJXRFMXHABA-JTQLQIEISA-N 0 0 419.894 4.213 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC3(c4ccc(F)cc4)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000531447037 931060545 /nfs/dbraw/zinc/06/05/45/931060545.db2.gz OQAPWVQVVCSRIL-UHFFFAOYSA-N 0 0 408.433 4.015 20 5 HIBDRN CN(c1ccccc1)C1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000531465027 931067692 /nfs/dbraw/zinc/06/76/92/931067692.db2.gz HHBIEXXVMZZUDM-UHFFFAOYSA-N 0 0 417.893 4.145 20 5 HIBDRN O=C(NCc1cccc(COCc2ccco2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000531500194 931079467 /nfs/dbraw/zinc/07/94/67/931079467.db2.gz CZBWTBPWRINPAW-UHFFFAOYSA-N 0 0 421.453 4.173 20 5 HIBDRN CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000531505212 931082786 /nfs/dbraw/zinc/08/27/86/931082786.db2.gz MCFZLWUUFSWSCY-SNVBAGLBSA-N 0 0 411.218 4.335 20 5 HIBDRN CCOc1ccc(Br)cc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000531521034 931090592 /nfs/dbraw/zinc/09/05/92/931090592.db2.gz ZFNCHFKHEUIORT-UHFFFAOYSA-N 0 0 420.263 4.346 20 5 HIBDRN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000531557116 931102010 /nfs/dbraw/zinc/10/20/10/931102010.db2.gz HALOZRCJTBYISH-UHFFFAOYSA-N 0 0 408.411 4.269 20 5 HIBDRN C[C@@]1(c2ccccc2)CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000531594875 931113466 /nfs/dbraw/zinc/11/34/66/931113466.db2.gz DZPWNQOGBJVBBQ-NRFANRHFSA-N 0 0 409.467 4.106 20 5 HIBDRN CC[C@@H](Cc1ccccc1Br)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000531595530 931114395 /nfs/dbraw/zinc/11/43/95/931114395.db2.gz IYKXAVDTDDEXEO-HNNXBMFYSA-N 0 0 421.291 4.046 20 5 HIBDRN C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cn(-c2ccccc2)nn1 ZINC000531609330 931123108 /nfs/dbraw/zinc/12/31/08/931123108.db2.gz KJHWCUIVWMPRCY-CQSZACIVSA-N 0 0 406.471 4.150 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC[C@H]3c3cccc(C)n3)cc2)c(C)c1[N+](=O)[O-] ZINC000531731227 931176368 /nfs/dbraw/zinc/17/63/68/931176368.db2.gz JGTPIBRZOAFTOF-NRFANRHFSA-N 0 0 419.485 4.137 20 5 HIBDRN Cc1cccc([C@H]2CCCN2C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000531731494 931176520 /nfs/dbraw/zinc/17/65/20/931176520.db2.gz JUEQDPFLZOVLPS-QGZVFWFLSA-N 0 0 422.407 4.483 20 5 HIBDRN CC(C)(NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cn(-c2ccccc2)nn1 ZINC000531783164 931195869 /nfs/dbraw/zinc/19/58/69/931195869.db2.gz KZFYSGVDOOFPHJ-UHFFFAOYSA-N 0 0 403.442 4.460 20 5 HIBDRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000531828869 931211330 /nfs/dbraw/zinc/21/13/30/931211330.db2.gz KEFPWFRVOWNVSZ-QGZVFWFLSA-N 0 0 412.490 4.483 20 5 HIBDRN NC(=O)NCc1ccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000532023922 931287699 /nfs/dbraw/zinc/28/76/99/931287699.db2.gz ATSXQQVAIFGTAR-UHFFFAOYSA-N 0 0 422.466 4.167 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000532118710 931320069 /nfs/dbraw/zinc/32/00/69/931320069.db2.gz XIFVSVBJPDPLGD-HZPDHXFCSA-N 0 0 405.495 4.118 20 5 HIBDRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c1)CO2 ZINC000532170156 931335656 /nfs/dbraw/zinc/33/56/56/931335656.db2.gz NVEWYSXIBHPUFP-QRWLVFNGSA-N 0 0 418.453 4.335 20 5 HIBDRN C[C@H](Cc1nc2ccccc2s1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000532184927 931339274 /nfs/dbraw/zinc/33/92/74/931339274.db2.gz YILLPCRLERKTHI-NEPJUHHUSA-N 0 0 419.890 4.373 20 5 HIBDRN COCCOc1cc(C)ccc1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000532289022 931385878 /nfs/dbraw/zinc/38/58/78/931385878.db2.gz FVVNQKBAZLYLAE-UHFFFAOYSA-N 0 0 413.499 4.342 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000532480369 931455339 /nfs/dbraw/zinc/45/53/39/931455339.db2.gz QTNKAKJNYWLIAW-INIZCTEOSA-N 0 0 424.404 4.492 20 5 HIBDRN CNc1ccc(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1[N+](=O)[O-] ZINC000532590340 931548059 /nfs/dbraw/zinc/54/80/59/931548059.db2.gz ULOLRUMHEIBWBC-UHFFFAOYSA-N 0 0 405.336 4.093 20 5 HIBDRN O=C(c1cc(Cl)c2c(c1)OCCCO2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000532613384 931554641 /nfs/dbraw/zinc/55/46/41/931554641.db2.gz JIFOBHBWQRDLOE-UHFFFAOYSA-N 0 0 402.834 4.214 20 5 HIBDRN O=C(NCC1(O)Cc2ccccc2C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000532624172 931557815 /nfs/dbraw/zinc/55/78/15/931557815.db2.gz VQHZXUSLTYIYBQ-UHFFFAOYSA-N 0 0 420.490 4.006 20 5 HIBDRN O=C1[C@@H](N2CCC[C@H](c3nc4ccccc4s3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532625855 931558815 /nfs/dbraw/zinc/55/88/15/931558815.db2.gz PZRLDQDSVDNQCO-KXBFYZLASA-N 0 0 422.510 4.189 20 5 HIBDRN O=C(NC[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000532692891 931589859 /nfs/dbraw/zinc/58/98/59/931589859.db2.gz MGBFAKPUSNAERG-CQSZACIVSA-N 0 0 420.872 4.421 20 5 HIBDRN CN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000532753561 931623454 /nfs/dbraw/zinc/62/34/54/931623454.db2.gz VBVXTWOUYZEXRP-QHCPKHFHSA-N 0 0 421.522 4.262 20 5 HIBDRN COc1cc(C)cc(CNCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000532783044 931630622 /nfs/dbraw/zinc/63/06/22/931630622.db2.gz NOGVYCDNZHVSJB-UHFFFAOYSA-N 0 0 414.380 4.151 20 5 HIBDRN COc1ccc(CC(=O)N(C)[C@@H](C)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000532789912 931631916 /nfs/dbraw/zinc/63/19/16/931631916.db2.gz JTMWSJDHDFVQOC-LBPRGKRZSA-N 0 0 407.264 4.128 20 5 HIBDRN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000532820874 931641385 /nfs/dbraw/zinc/64/13/85/931641385.db2.gz SGZHUGHTJZREON-AHRSYUTCSA-N 0 0 410.495 4.433 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(Oc2ccccc2Cl)CC1 ZINC000532825604 931643024 /nfs/dbraw/zinc/64/30/24/931643024.db2.gz QMERBVKHQXMTSI-UHFFFAOYSA-N 0 0 403.866 4.039 20 5 HIBDRN Cc1c(C(=O)N(C)c2cccc([N+](=O)[O-])c2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000532828156 931644688 /nfs/dbraw/zinc/64/46/88/931644688.db2.gz XDZKFOPUOWZLQR-UHFFFAOYSA-N 0 0 413.437 4.428 20 5 HIBDRN Cc1ccccc1[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532921754 931695917 /nfs/dbraw/zinc/69/59/17/931695917.db2.gz LQXZXYGEFFJHHW-SFHVURJKSA-N 0 0 418.291 4.441 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000532928960 931698341 /nfs/dbraw/zinc/69/83/41/931698341.db2.gz JDXNCSGROAHRLH-GFCCVEGCSA-N 0 0 411.380 4.254 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000532932805 931702834 /nfs/dbraw/zinc/70/28/34/931702834.db2.gz LASKYLRRLWJYHB-LBPRGKRZSA-N 0 0 414.409 4.159 20 5 HIBDRN Cc1ncsc1CN(C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000532960542 931714070 /nfs/dbraw/zinc/71/40/70/931714070.db2.gz RCYQQDFMKDBGMD-FQEVSTJZSA-N 0 0 410.499 4.480 20 5 HIBDRN CCn1c(SCc2cnc(OC)c(Cl)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000533091483 931769023 /nfs/dbraw/zinc/76/90/23/931769023.db2.gz CRQSWTLSKBCDGH-UHFFFAOYSA-N 0 0 405.867 4.223 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000533187005 931804052 /nfs/dbraw/zinc/80/40/52/931804052.db2.gz UWKQLIBGFFVILA-UHFFFAOYSA-N 0 0 409.467 4.010 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000533244517 931817379 /nfs/dbraw/zinc/81/73/79/931817379.db2.gz RBOIKNGGQAWQOB-INIZCTEOSA-N 0 0 424.404 4.492 20 5 HIBDRN Cc1ccccc1[C@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533251378 931819735 /nfs/dbraw/zinc/81/97/35/931819735.db2.gz NUBWHPUTKNXXOU-ZDUSSCGKSA-N 0 0 406.280 4.297 20 5 HIBDRN Cc1ccc([C@@H]2CCCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)o1 ZINC000533295403 931831742 /nfs/dbraw/zinc/83/17/42/931831742.db2.gz YTJYVVCGQSHZIS-INIZCTEOSA-N 0 0 422.279 4.424 20 5 HIBDRN C[C@@H]1c2c(F)cccc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000533328570 931839226 /nfs/dbraw/zinc/83/92/26/931839226.db2.gz TWQBVYGALXBJOA-SNVBAGLBSA-N 0 0 418.368 4.061 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000533327065 931839474 /nfs/dbraw/zinc/83/94/74/931839474.db2.gz DJLBBVVKUGQKOZ-SFHVURJKSA-N 0 0 408.376 4.435 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1NCc1ncoc1-c1ccccc1 ZINC000533329927 931840333 /nfs/dbraw/zinc/84/03/33/931840333.db2.gz ULVZWEPLKXYRKO-UHFFFAOYSA-N 0 0 421.194 4.467 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(CC(=O)Nc4ccc([N+](=O)[O-])cc4C)CC3)c2c1 ZINC000533351414 931846195 /nfs/dbraw/zinc/84/61/95/931846195.db2.gz HDUBDUDHDXVUFA-UHFFFAOYSA-N 0 0 420.469 4.121 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426835 931865119 /nfs/dbraw/zinc/86/51/19/931865119.db2.gz JEZKKZZRHWYSBV-PBHICJAKSA-N 0 0 424.432 4.440 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426838 931865139 /nfs/dbraw/zinc/86/51/39/931865139.db2.gz JEZKKZZRHWYSBV-YOEHRIQHSA-N 0 0 424.432 4.440 20 5 HIBDRN COc1cc(C[NH2+]C[C@@H](C)c2c(C)noc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000533562973 931901262 /nfs/dbraw/zinc/90/12/62/931901262.db2.gz NWNMUWWOPNGTKP-SNVBAGLBSA-N 0 0 417.384 4.043 20 5 HIBDRN Cc1nnccc1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000533576774 931906055 /nfs/dbraw/zinc/90/60/55/931906055.db2.gz QLTZRGAKEBMIKH-UHFFFAOYSA-N 0 0 416.796 4.208 20 5 HIBDRN CN(C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000533606206 931919228 /nfs/dbraw/zinc/91/92/28/931919228.db2.gz JVWZDIXJYGAQHQ-NRFANRHFSA-N 0 0 403.438 4.119 20 5 HIBDRN CN(C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000533606207 931919930 /nfs/dbraw/zinc/91/99/30/931919930.db2.gz JVWZDIXJYGAQHQ-OAQYLSRUSA-N 0 0 403.438 4.119 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)cc3O)cc2)c(C)c1[N+](=O)[O-] ZINC000533618542 931927223 /nfs/dbraw/zinc/92/72/23/931927223.db2.gz RHKANCOWZVOGCL-UHFFFAOYSA-N 0 0 400.822 4.068 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2cnn(C[C@H](O)COc3cc(Cl)ccc3Cl)c2)cc1 ZINC000533675445 931964285 /nfs/dbraw/zinc/96/42/85/931964285.db2.gz ODHKAFHHJOJVFX-INIZCTEOSA-N 0 0 408.241 4.205 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000533729992 931995722 /nfs/dbraw/zinc/99/57/22/931995722.db2.gz ASLGCJDTPCJNEI-WMZOPIPTSA-N 0 0 407.474 4.188 20 5 HIBDRN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000533745800 932005679 /nfs/dbraw/zinc/00/56/79/932005679.db2.gz IHBSODXFIOQVDN-QAPCUYQASA-N 0 0 424.526 4.425 20 5 HIBDRN CSc1ccc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1[N+](=O)[O-] ZINC000533845883 932058187 /nfs/dbraw/zinc/05/81/87/932058187.db2.gz RJNPSUMRIVOGPQ-UHFFFAOYSA-N 0 0 406.467 4.484 20 5 HIBDRN Cc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(OC[C@@H]2CCCO2)c1 ZINC000533853856 932063076 /nfs/dbraw/zinc/06/30/76/932063076.db2.gz FPKWFWPKIMAHFS-KRWDZBQOSA-N 0 0 411.458 4.051 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(COCC(F)(F)F)cc1 ZINC000533886638 932081158 /nfs/dbraw/zinc/08/11/58/932081158.db2.gz JWICQHLWDUQQQM-UHFFFAOYSA-N 0 0 421.375 4.014 20 5 HIBDRN CC[C@@H](C)[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc2ccccc2[nH]1 ZINC000533901079 932089893 /nfs/dbraw/zinc/08/98/93/932089893.db2.gz LXUUQYDZWDIQTA-LRTDBIEQSA-N 0 0 405.458 4.399 20 5 HIBDRN Cc1nnc(Sc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)n1[C@H]1CCC[C@@H](C)C1 ZINC000533909002 932094380 /nfs/dbraw/zinc/09/43/80/932094380.db2.gz PAYLJLJIHYTJAY-RISCZKNCSA-N 0 0 401.492 4.282 20 5 HIBDRN Cc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])ccc1NC(=O)c1cccs1 ZINC000533927210 932104499 /nfs/dbraw/zinc/10/44/99/932104499.db2.gz YVZPPAIEFYCOTE-UHFFFAOYSA-N 0 0 409.467 4.489 20 5 HIBDRN COc1ccccc1COc1cccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C ZINC000533954665 932129049 /nfs/dbraw/zinc/12/90/49/932129049.db2.gz RTDBVRCCTDWXMP-UHFFFAOYSA-N 0 0 421.453 4.202 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000533963051 932138939 /nfs/dbraw/zinc/13/89/39/932138939.db2.gz DUMKVOIWSDOAKW-CRAIPNDOSA-N 0 0 403.360 4.310 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000533997652 932176511 /nfs/dbraw/zinc/17/65/11/932176511.db2.gz MHAFCWJYJSGJFN-BBRMVZONSA-N 0 0 420.453 4.261 20 5 HIBDRN O=C(c1cc(Br)cc2cccnc21)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000534000112 932181559 /nfs/dbraw/zinc/18/15/59/932181559.db2.gz VVKOHFILJFUPNP-UHFFFAOYSA-N 0 0 412.243 4.499 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)CCc3ccccc3Cl)co2)cc1 ZINC000534063219 932241596 /nfs/dbraw/zinc/24/15/96/932241596.db2.gz UUJJNLOOGCMWJC-UHFFFAOYSA-N 0 0 406.847 4.061 20 5 HIBDRN CC(C)c1cc(Br)ccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000534074123 932253150 /nfs/dbraw/zinc/25/31/50/932253150.db2.gz XQPVYEZWHLARJJ-UHFFFAOYSA-N 0 0 407.220 4.462 20 5 HIBDRN C[C@H](O)[C@H]1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000534109403 932283740 /nfs/dbraw/zinc/28/37/40/932283740.db2.gz AVNUSIMHEDSSPA-DKICVRJWSA-N 0 0 417.893 4.021 20 5 HIBDRN Cc1c(Cl)cccc1Nc1nnc(SCCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000534199606 932327745 /nfs/dbraw/zinc/32/77/45/932327745.db2.gz NBKYXJHPEYDRIN-UHFFFAOYSA-N 0 0 423.907 4.106 20 5 HIBDRN CN1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534391449 932415533 /nfs/dbraw/zinc/41/55/33/932415533.db2.gz KQRNSKIXEXVEPI-MJGOQNOKSA-N 0 0 416.840 4.044 20 5 HIBDRN CN1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534391591 932415645 /nfs/dbraw/zinc/41/56/45/932415645.db2.gz UFBIQOHDJNUNDJ-LPHOPBHVSA-N 0 0 417.824 4.309 20 5 HIBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N(Cc1ccccc1)c1nc2c(cccc2C)s1 ZINC000534399807 932424262 /nfs/dbraw/zinc/42/42/62/932424262.db2.gz VVJGJLSDQITMCM-UHFFFAOYSA-N 0 0 421.482 4.251 20 5 HIBDRN O=[N+]([O-])c1cccc2c1CCN(Cc1nc(-c3ccc(Br)s3)no1)C2 ZINC000534509503 932539245 /nfs/dbraw/zinc/53/92/45/932539245.db2.gz JQFBHKIOVKACGT-UHFFFAOYSA-N 0 0 421.276 4.027 20 5 HIBDRN Cc1ccc(C(C)C)c(Oc2ccc(CN[C@H](CO)c3cnn(C)c3)cc2[N+](=O)[O-])c1 ZINC000534514828 932540664 /nfs/dbraw/zinc/54/06/64/932540664.db2.gz NFHVXTBOFJPWIN-HXUWFJFHSA-N 0 0 424.501 4.376 20 5 HIBDRN COCc1c(Br)cccc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534569900 932572533 /nfs/dbraw/zinc/57/25/33/932572533.db2.gz LHOWGMDAECXYJN-UHFFFAOYSA-N 0 0 420.263 4.094 20 5 HIBDRN Cn1c(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc2cc(C(F)(F)F)ccc21 ZINC000534573154 932573810 /nfs/dbraw/zinc/57/38/10/932573810.db2.gz DYBFAJJRSFSYIW-UHFFFAOYSA-N 0 0 403.360 4.304 20 5 HIBDRN O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1[N+](=O)[O-] ZINC000534578085 932576018 /nfs/dbraw/zinc/57/60/18/932576018.db2.gz WIXDQXWHHQVOGE-UHFFFAOYSA-N 0 0 421.734 4.000 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000534598015 932583237 /nfs/dbraw/zinc/58/32/37/932583237.db2.gz ITPSRXATGBRASW-INIZCTEOSA-N 0 0 415.449 4.463 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCCc1cccc(C(F)(F)F)c1 ZINC000534643012 932615102 /nfs/dbraw/zinc/61/51/02/932615102.db2.gz AEWUODAQDSDKLR-UHFFFAOYSA-N 0 0 405.376 4.386 20 5 HIBDRN O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000534645078 932618031 /nfs/dbraw/zinc/61/80/31/932618031.db2.gz LDSMUTLSCYWTQH-UHFFFAOYSA-N 0 0 409.793 4.021 20 5 HIBDRN C[C@H](Nc1cccc2c1CN(c1nccs1)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000534688824 932658942 /nfs/dbraw/zinc/65/89/42/932658942.db2.gz BBQAGODZQOMTFV-ZDUSSCGKSA-N 0 0 409.471 4.011 20 5 HIBDRN CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000534698558 932670710 /nfs/dbraw/zinc/67/07/10/932670710.db2.gz YATNFQJTQNOLRL-HNNXBMFYSA-N 0 0 415.515 4.091 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000534715643 932684191 /nfs/dbraw/zinc/68/41/91/932684191.db2.gz RWJXDLPEZAOZBR-GOSISDBHSA-N 0 0 413.865 4.214 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000534732867 932701398 /nfs/dbraw/zinc/70/13/98/932701398.db2.gz YNVAEOURVTVSSK-CQSZACIVSA-N 0 0 406.866 4.021 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000534733853 932703197 /nfs/dbraw/zinc/70/31/97/932703197.db2.gz MYYFORWINHQAPB-KGLIPLIRSA-N 0 0 406.866 4.019 20 5 HIBDRN CC(C)Cn1ncc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1C(F)F ZINC000534737044 932707303 /nfs/dbraw/zinc/70/73/03/932707303.db2.gz LURGLFTUDHJRQP-SFHVURJKSA-N 0 0 410.446 4.273 20 5 HIBDRN CC(C)Cn1ncc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C(F)F ZINC000534737043 932707326 /nfs/dbraw/zinc/70/73/26/932707326.db2.gz LURGLFTUDHJRQP-GOSISDBHSA-N 0 0 410.446 4.273 20 5 HIBDRN O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000534745017 932716161 /nfs/dbraw/zinc/71/61/61/932716161.db2.gz FOAKVTJVGNJUJD-UHFFFAOYSA-N 0 0 416.397 4.367 20 5 HIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000534745550 932717206 /nfs/dbraw/zinc/71/72/06/932717206.db2.gz RXCMYZSELPUSOW-VXGBXAGGSA-N 0 0 406.320 4.112 20 5 HIBDRN COc1cc(C(=O)Nc2cc(-c3ncco3)ccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000534751989 932728239 /nfs/dbraw/zinc/72/82/39/932728239.db2.gz NGZGBVLDKSPVEO-UHFFFAOYSA-N 0 0 419.340 4.421 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000534758261 932735792 /nfs/dbraw/zinc/73/57/92/932735792.db2.gz SEKMGZNTANZVCL-UHFFFAOYSA-N 0 0 412.833 4.038 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCc2c3ccccc3[nH]c2C1 ZINC000534782717 932764408 /nfs/dbraw/zinc/76/44/08/932764408.db2.gz SQGUPDUXKDETKJ-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534787765 932768966 /nfs/dbraw/zinc/76/89/66/932768966.db2.gz SFZYEGFLQUIGIH-UHFFFAOYSA-N 0 0 417.469 4.244 20 5 HIBDRN O=C(CCc1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000534880108 932820921 /nfs/dbraw/zinc/82/09/21/932820921.db2.gz ODKGSKKVOIAVAB-HXUWFJFHSA-N 0 0 416.481 4.302 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3ccc(C(F)(F)F)nc3)cc2[N+](=O)[O-])CC1 ZINC000534921492 932839529 /nfs/dbraw/zinc/83/95/29/932839529.db2.gz DGCGOJYUCNIUCJ-UHFFFAOYSA-N 0 0 408.380 4.497 20 5 HIBDRN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc21 ZINC000534984508 932875354 /nfs/dbraw/zinc/87/53/54/932875354.db2.gz DARZKKPZOPIQAV-UHFFFAOYSA-N 0 0 422.441 4.100 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000535015092 932884986 /nfs/dbraw/zinc/88/49/86/932884986.db2.gz MIIQNILGEFCKRL-AWEZNQCLSA-N 0 0 408.520 4.291 20 5 HIBDRN Cc1cc(C)cc(N(C)C(=O)c2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000535021971 932886427 /nfs/dbraw/zinc/88/64/27/932886427.db2.gz CXCDXAFMGARMKA-UHFFFAOYSA-N 0 0 410.211 4.093 20 5 HIBDRN CNc1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000535058457 932894905 /nfs/dbraw/zinc/89/49/05/932894905.db2.gz NMCSWMAGCXWPCZ-LJQANCHMSA-N 0 0 410.861 4.399 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000535140004 932959380 /nfs/dbraw/zinc/95/93/80/932959380.db2.gz BTTAHKMOUODIMH-AWEZNQCLSA-N 0 0 411.549 4.482 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CC[C@@H](C3CCOCC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000535162751 932979827 /nfs/dbraw/zinc/97/98/27/932979827.db2.gz QJULIDRZLSTJLM-QFBILLFUSA-N 0 0 424.501 4.052 20 5 HIBDRN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccccc1Cc1ccccc1 ZINC000535247545 933035567 /nfs/dbraw/zinc/03/55/67/933035567.db2.gz NMTMBLVCYHGONT-UHFFFAOYSA-N 0 0 401.466 4.182 20 5 HIBDRN O=C(NCc1nc2cc(Cl)ccc2s1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535250926 933036447 /nfs/dbraw/zinc/03/64/47/933036447.db2.gz HQDCAHGLXMJXRN-UHFFFAOYSA-N 0 0 402.863 4.126 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)ccc1OC(C)C ZINC000535251209 933036593 /nfs/dbraw/zinc/03/65/93/933036593.db2.gz IVOPJRTXOJHFPL-OAHLLOKOSA-N 0 0 413.474 4.220 20 5 HIBDRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535289158 933052105 /nfs/dbraw/zinc/05/21/05/933052105.db2.gz NIZPMMXFYVXVET-UHFFFAOYSA-N 0 0 413.380 4.046 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535289911 933052634 /nfs/dbraw/zinc/05/26/34/933052634.db2.gz UJYIIJOYQCYQGR-UHFFFAOYSA-N 0 0 422.416 4.189 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535289540 933053015 /nfs/dbraw/zinc/05/30/15/933053015.db2.gz OQAQZHXUIPWCPM-JKSUJKDBSA-N 0 0 406.360 4.182 20 5 HIBDRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000535303096 933060581 /nfs/dbraw/zinc/06/05/81/933060581.db2.gz KIRWMGWQSIMCIZ-GDLZYMKVSA-N 0 0 415.515 4.232 20 5 HIBDRN Cc1cccc(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000535307987 933063303 /nfs/dbraw/zinc/06/33/03/933063303.db2.gz QUYMOIVNAXYYKA-UHFFFAOYSA-N 0 0 417.771 4.169 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccc(COCc2ccco2)c1 ZINC000535359951 933091270 /nfs/dbraw/zinc/09/12/70/933091270.db2.gz IARZOAFYSFBQBM-UHFFFAOYSA-N 0 0 419.437 4.245 20 5 HIBDRN CC(C)C[C@H](C)Oc1cc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ccn1 ZINC000535388665 933109568 /nfs/dbraw/zinc/10/95/68/933109568.db2.gz KWALPBWKVXIQTG-HNNXBMFYSA-N 0 0 410.474 4.143 20 5 HIBDRN C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000535397505 933114566 /nfs/dbraw/zinc/11/45/66/933114566.db2.gz ZAFOYESKGXADLD-RBZFPXEDSA-N 0 0 413.861 4.261 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000535428545 933130924 /nfs/dbraw/zinc/13/09/24/933130924.db2.gz RUCQWHRSGDYJSW-BLLLJJGKSA-N 0 0 411.380 4.016 20 5 HIBDRN O=C([C@H]1COc2ccc(Br)cc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000535443651 933138977 /nfs/dbraw/zinc/13/89/77/933138977.db2.gz UCFOAWVLLQOMBP-INIZCTEOSA-N 0 0 417.259 4.025 20 5 HIBDRN Cc1cc(C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000535455060 933147121 /nfs/dbraw/zinc/14/71/21/933147121.db2.gz SGCWDJXDFCBJOC-UHFFFAOYSA-N 0 0 420.347 4.299 20 5 HIBDRN Cc1nc(COc2cccc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)c2)cs1 ZINC000535458997 933150219 /nfs/dbraw/zinc/15/02/19/933150219.db2.gz LAVXPZLZULPYPM-UHFFFAOYSA-N 0 0 409.427 4.067 20 5 HIBDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000535487801 933177201 /nfs/dbraw/zinc/17/72/01/933177201.db2.gz BAXIYJGQKSTKRB-UHFFFAOYSA-N 0 0 424.501 4.140 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000535505994 933199434 /nfs/dbraw/zinc/19/94/34/933199434.db2.gz AMJLTHIZURFCJY-YCRPNKLZSA-N 0 0 406.442 4.148 20 5 HIBDRN COc1ccccc1CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCCO1 ZINC000535523727 933213742 /nfs/dbraw/zinc/21/37/42/933213742.db2.gz FUCKAIAIYBPJDE-OAQYLSRUSA-N 0 0 423.469 4.440 20 5 HIBDRN Cn1c2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2nc1C(C)(C)C ZINC000535564166 933244983 /nfs/dbraw/zinc/24/49/83/933244983.db2.gz XRYRLZRWNMIJIS-UHFFFAOYSA-N 0 0 418.457 4.217 20 5 HIBDRN O=[N+]([O-])c1ccc(NCCCS(=O)(=O)Cc2ccccc2)nc1-c1ccccc1 ZINC000535592517 933259424 /nfs/dbraw/zinc/25/94/24/933259424.db2.gz BHERZABEMJKWRD-UHFFFAOYSA-N 0 0 411.483 4.074 20 5 HIBDRN Cc1ccc(Br)c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000535610047 933266096 /nfs/dbraw/zinc/26/60/96/933266096.db2.gz HVCWSUWHIYBPPC-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000535656121 933300663 /nfs/dbraw/zinc/30/06/63/933300663.db2.gz UXJZHAPORBODCJ-UHFFFAOYSA-N 0 0 411.650 4.364 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000535662973 933307155 /nfs/dbraw/zinc/30/71/55/933307155.db2.gz VZWICNGMCFKVET-HNNXBMFYSA-N 0 0 416.499 4.358 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000535666376 933311768 /nfs/dbraw/zinc/31/17/68/933311768.db2.gz PQBIFILGQXVYCC-BBRMVZONSA-N 0 0 408.520 4.195 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(C(C)C)CC1 ZINC000535676747 933326615 /nfs/dbraw/zinc/32/66/15/933326615.db2.gz QBHWITXHRIVYAT-UHFFFAOYSA-N 0 0 408.520 4.195 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000535680803 933332253 /nfs/dbraw/zinc/33/22/53/933332253.db2.gz POPJUZAMKXTMQV-UHFFFAOYSA-N 0 0 424.862 4.164 20 5 HIBDRN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535696013 933350887 /nfs/dbraw/zinc/35/08/87/933350887.db2.gz 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ZOQWCABHRNFHBX-INIZCTEOSA-N 0 0 413.474 4.148 20 5 HIBDRN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000537347988 933729907 /nfs/dbraw/zinc/72/99/07/933729907.db2.gz QIBIPPWTZFXGJE-AWEZNQCLSA-N 0 0 424.423 4.079 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H](OCc3ccccc3F)C2)c1 ZINC000537384598 933748915 /nfs/dbraw/zinc/74/89/15/933748915.db2.gz VGWRYLFKQAOKGU-SFHVURJKSA-N 0 0 416.449 4.019 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000537391916 933753801 /nfs/dbraw/zinc/75/38/01/933753801.db2.gz VKLGZSMWRGYVQB-GFCCVEGCSA-N 0 0 415.471 4.459 20 5 HIBDRN Cc1cc(NC(=O)c2cc(C)n(-c3ccc(C)cc3)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537399211 933758037 /nfs/dbraw/zinc/75/80/37/933758037.db2.gz PYBIQVKHXMHOGF-UHFFFAOYSA-N 0 0 416.441 4.144 20 5 HIBDRN Cc1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000537491651 933795369 /nfs/dbraw/zinc/79/53/69/933795369.db2.gz QTDBQSYTNHMZCS-UHFFFAOYSA-N 0 0 400.822 4.150 20 5 HIBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2ccccc2F)c2ccccc2F)c1 ZINC000562461525 945082024 /nfs/dbraw/zinc/08/20/24/945082024.db2.gz LGIFFWMSJSONQT-UHFFFAOYSA-N 0 0 404.394 4.269 20 5 HIBDRN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000562549135 945097503 /nfs/dbraw/zinc/09/75/03/945097503.db2.gz OTENWNDTUGOFNS-OAQYLSRUSA-N 0 0 420.415 4.173 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Br)c2COC)c1 ZINC000562751334 945113052 /nfs/dbraw/zinc/11/30/52/945113052.db2.gz OEYNOYIUGMMQSE-UHFFFAOYSA-N 0 0 409.236 4.155 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000562764184 945117782 /nfs/dbraw/zinc/11/77/82/945117782.db2.gz AGQNQLGVSHFKKO-UHFFFAOYSA-N 0 0 412.364 4.419 20 5 HIBDRN Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000537560087 938323930 /nfs/dbraw/zinc/32/39/30/938323930.db2.gz BFRQWJLNVOMBCE-INIZCTEOSA-N 0 0 412.494 4.481 20 5 HIBDRN CC(C)c1ccc(-c2nc(C(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)cs2)cc1 ZINC000537577136 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CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000538556556 938648637 /nfs/dbraw/zinc/64/86/37/938648637.db2.gz DBLGCLNBLIVRBE-ZDUSSCGKSA-N 0 0 419.469 4.196 20 5 HIBDRN C[C@@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000538581317 938654801 /nfs/dbraw/zinc/65/48/01/938654801.db2.gz NRZJBXSJLAQZOQ-KUHUBIRLSA-N 0 0 421.419 4.455 20 5 HIBDRN Cn1c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cc2nc1C(F)F ZINC000538594194 938657769 /nfs/dbraw/zinc/65/77/69/938657769.db2.gz JNYAIGOFIRILIJ-UHFFFAOYSA-N 0 0 412.299 4.273 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000538623152 938664570 /nfs/dbraw/zinc/66/45/70/938664570.db2.gz HUAKSCSGSZETCT-CABCVRRESA-N 0 0 409.483 4.107 20 5 HIBDRN Cc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000538661595 938677295 /nfs/dbraw/zinc/67/72/95/938677295.db2.gz HLEYJBJIXABAET-MRXNPFEDSA-N 0 0 406.446 4.100 20 5 HIBDRN O=C(CCc1cc(Br)cs1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538695098 938685818 /nfs/dbraw/zinc/68/58/18/938685818.db2.gz CSZHQTKDGKBRPT-UHFFFAOYSA-N 0 0 417.712 4.364 20 5 HIBDRN O=C(N[C@@H](CO)c1cccc(F)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000538699151 938686250 /nfs/dbraw/zinc/68/62/50/938686250.db2.gz RERRTHWMHQRGMO-FQEVSTJZSA-N 0 0 412.442 4.349 20 5 HIBDRN C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000538720346 938690226 /nfs/dbraw/zinc/69/02/26/938690226.db2.gz UVFYEYGAUOCVLB-KGLIPLIRSA-N 0 0 424.906 4.048 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000538744087 938699629 /nfs/dbraw/zinc/69/96/29/938699629.db2.gz LBTWKSRTFQPXGZ-OAHLLOKOSA-N 0 0 419.428 4.130 20 5 HIBDRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1C ZINC000538811377 938719004 /nfs/dbraw/zinc/71/90/04/938719004.db2.gz KGUFOOKOOOOCPI-UHFFFAOYSA-N 0 0 419.503 4.232 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(-c2nncs2)cc1 ZINC000538824112 938720354 /nfs/dbraw/zinc/72/03/54/938720354.db2.gz GWEIORIPEAGCOO-UHFFFAOYSA-N 0 0 412.474 4.312 20 5 HIBDRN COc1ccc(-c2ccc(CNc3cc(C(=O)N(C)C)ccc3C)o2)c([N+](=O)[O-])c1 ZINC000538837818 938722979 /nfs/dbraw/zinc/72/29/79/938722979.db2.gz FLFCEHZCUDEUPL-UHFFFAOYSA-N 0 0 409.442 4.486 20 5 HIBDRN COc1ccc(-c2ccc(CNc3cccc([C@H]4CNC(=O)C4)c3)o2)c([N+](=O)[O-])c1 ZINC000538857030 938726273 /nfs/dbraw/zinc/72/62/73/938726273.db2.gz JOCWFEIXYRUIFB-OAHLLOKOSA-N 0 0 407.426 4.079 20 5 HIBDRN CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000538857249 938726276 /nfs/dbraw/zinc/72/62/76/938726276.db2.gz BSSZWJDGKGCTCX-VDZSZVPASA-N 0 0 417.531 4.328 20 5 HIBDRN O=C(Cc1cccc(OCc2cccnc2)c1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000538860620 938726816 /nfs/dbraw/zinc/72/68/16/938726816.db2.gz HUSXVVIIZPFYOC-UHFFFAOYSA-N 0 0 414.421 4.298 20 5 HIBDRN C[C@@H]1C[C@@H](CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 ZINC000538863686 938727761 /nfs/dbraw/zinc/72/77/61/938727761.db2.gz IOZHNODQRKYAEW-CABCVRRESA-N 0 0 417.893 4.405 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000538908732 938736042 /nfs/dbraw/zinc/73/60/42/938736042.db2.gz UKXNBZDZGOIPRT-QLJPJBMISA-N 0 0 411.227 4.002 20 5 HIBDRN CC(C)(C)Oc1cc(N2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000538926873 938739100 /nfs/dbraw/zinc/73/91/00/938739100.db2.gz GVHCJISCGIKRCK-GOSISDBHSA-N 0 0 415.534 4.391 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000538934411 938741263 /nfs/dbraw/zinc/74/12/63/938741263.db2.gz XDJXIUHGIGYJJV-HWPZZCPQSA-N 0 0 400.328 4.259 20 5 HIBDRN Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000539023962 938772324 /nfs/dbraw/zinc/77/23/24/938772324.db2.gz JAVWAEPCLGZJEV-UHFFFAOYSA-N 0 0 400.822 4.121 20 5 HIBDRN COc1ccc(NC(=O)CN[C@@H](C)c2cc(F)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000539242599 938824506 /nfs/dbraw/zinc/82/45/06/938824506.db2.gz BKGHWXCHWGWUGT-VIFPVBQESA-N 0 0 416.236 4.339 20 5 HIBDRN CCc1ccc(NC(=O)c2nnc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000539281204 938832773 /nfs/dbraw/zinc/83/27/73/938832773.db2.gz RJHFAKWRVXTIOJ-ZDUSSCGKSA-N 0 0 411.487 4.112 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000539291423 938834784 /nfs/dbraw/zinc/83/47/84/938834784.db2.gz IBRSYJFDRTUXOF-UXHICEINSA-N 0 0 415.877 4.452 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000539296545 938835623 /nfs/dbraw/zinc/83/56/23/938835623.db2.gz CFQAHTBIDOKNCH-QGZVFWFLSA-N 0 0 403.504 4.255 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000539349526 938846395 /nfs/dbraw/zinc/84/63/95/938846395.db2.gz XAAPNVWSYRKGRT-UHFFFAOYSA-N 0 0 404.879 4.326 20 5 HIBDRN O=C(Nc1cc(F)c(Br)c(F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000539352915 938847122 /nfs/dbraw/zinc/84/71/22/938847122.db2.gz QZUYQVSXUVUCSU-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN Cc1noc(CCC(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)n1 ZINC000539356064 938847355 /nfs/dbraw/zinc/84/73/55/938847355.db2.gz XUXZXAYWYAPIIE-UHFFFAOYSA-N 0 0 415.475 4.032 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000539357622 938847629 /nfs/dbraw/zinc/84/76/29/938847629.db2.gz NORVZPHJMWBKLQ-UHFFFAOYSA-N 0 0 406.411 4.304 20 5 HIBDRN CN(C(=O)CN[C@@H](COCc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000539361322 938848384 /nfs/dbraw/zinc/84/83/84/938848384.db2.gz RNGLKYSPTPDRQO-QHCPKHFHSA-N 0 0 419.481 4.105 20 5 HIBDRN CCn1c2ccc(C)cc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000539412040 938856944 /nfs/dbraw/zinc/85/69/44/938856944.db2.gz IXBCHWCIBPXFNE-UHFFFAOYSA-N 0 0 403.236 4.288 20 5 HIBDRN CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000539434533 938859779 /nfs/dbraw/zinc/85/97/79/938859779.db2.gz KHAIAGBTIMDXQA-WBVHZDCISA-N 0 0 424.375 4.221 20 5 HIBDRN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000539434532 938859891 /nfs/dbraw/zinc/85/98/91/938859891.db2.gz KHAIAGBTIMDXQA-RDJZCZTQSA-N 0 0 424.375 4.221 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nn1-c1ccc(C)cc1 ZINC000539453293 938862697 /nfs/dbraw/zinc/86/26/97/938862697.db2.gz JLAQTNFAOMZWCA-UHFFFAOYSA-N 0 0 405.458 4.250 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000539519910 938872555 /nfs/dbraw/zinc/87/25/55/938872555.db2.gz DIJWNGZITSRTPT-SECBINFHSA-N 0 0 414.311 4.389 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c1 ZINC000539520142 938873013 /nfs/dbraw/zinc/87/30/13/938873013.db2.gz RNIVHUVYHVFEHF-UHFFFAOYSA-N 0 0 409.446 4.219 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000539527490 938873472 /nfs/dbraw/zinc/87/34/72/938873472.db2.gz NHNYWQFMNCJINI-XXBNENTESA-N 0 0 412.486 4.265 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000539538867 938875763 /nfs/dbraw/zinc/87/57/63/938875763.db2.gz XCTRUMAQRYSQKB-UKRRQHHQSA-N 0 0 405.907 4.124 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539568984 938881577 /nfs/dbraw/zinc/88/15/77/938881577.db2.gz UXBYJZANDJUAKE-LJQANCHMSA-N 0 0 421.419 4.237 20 5 HIBDRN Cc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)nn1-c1ccc(C)cc1 ZINC000539655681 938895053 /nfs/dbraw/zinc/89/50/53/938895053.db2.gz DZJFAMUIYNHSEH-NRFANRHFSA-N 0 0 408.483 4.285 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000539669492 938897901 /nfs/dbraw/zinc/89/79/01/938897901.db2.gz KRVZCCPXZGRUII-AWEZNQCLSA-N 0 0 408.520 4.291 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000539692215 938903222 /nfs/dbraw/zinc/90/32/22/938903222.db2.gz YDNKKESZEPGVLT-NHYWBVRUSA-N 0 0 408.813 4.185 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000539692213 938903400 /nfs/dbraw/zinc/90/34/00/938903400.db2.gz YDNKKESZEPGVLT-IAQYHMDHSA-N 0 0 408.813 4.185 20 5 HIBDRN CCC[C@H](Nc1cc(C(=O)N2CCOCC2)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000539734001 938916353 /nfs/dbraw/zinc/91/63/53/938916353.db2.gz BVYQHWDUHIZWDC-IBGZPJMESA-N 0 0 413.474 4.029 20 5 HIBDRN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539747663 938920103 /nfs/dbraw/zinc/92/01/03/938920103.db2.gz VUHSDXSFRFUDCU-CQSZACIVSA-N 0 0 417.897 4.434 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cccc1[N+](=O)[O-] ZINC000539761364 938926756 /nfs/dbraw/zinc/92/67/56/938926756.db2.gz GRGIMCOQDOCRHH-INIZCTEOSA-N 0 0 406.446 4.100 20 5 HIBDRN O=C(CCCc1cc(Cl)sc1Cl)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000539780622 938934177 /nfs/dbraw/zinc/93/41/77/938934177.db2.gz NRYMNSTYZCTYET-UHFFFAOYSA-N 0 0 400.287 4.266 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000539840621 938954315 /nfs/dbraw/zinc/95/43/15/938954315.db2.gz HHXGGINIKVIHAX-UHFFFAOYSA-N 0 0 404.470 4.031 20 5 HIBDRN C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000539843840 938955394 /nfs/dbraw/zinc/95/53/94/938955394.db2.gz DNCMHFYLHZEMNR-MRVPVSSYSA-N 0 0 421.327 4.490 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 ZINC000539846072 938956230 /nfs/dbraw/zinc/95/62/30/938956230.db2.gz MKYPUCYJOHUGOB-UHFFFAOYSA-N 0 0 418.453 4.097 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000539861957 938960472 /nfs/dbraw/zinc/96/04/72/938960472.db2.gz CCRVZVYIOKZTFB-LJQANCHMSA-N 0 0 408.401 4.168 20 5 HIBDRN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000539893671 938969475 /nfs/dbraw/zinc/96/94/75/938969475.db2.gz YPMHJEFQCGOFQF-UHFFFAOYSA-N 0 0 400.263 4.378 20 5 HIBDRN COc1ccccc1COC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000539907827 938975636 /nfs/dbraw/zinc/97/56/36/938975636.db2.gz YWXVADBYTIVFNN-UHFFFAOYSA-N 0 0 404.850 4.078 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000540014209 939039798 /nfs/dbraw/zinc/03/97/98/939039798.db2.gz DQQLKJKPUFAUCJ-JLTOFOAXSA-N 0 0 401.438 4.184 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540104616 939073368 /nfs/dbraw/zinc/07/33/68/939073368.db2.gz YPFOYXOWJHAGQH-CLOONOSVSA-N 0 0 412.489 4.049 20 5 HIBDRN CCOCCN(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000540121237 939080507 /nfs/dbraw/zinc/08/05/07/939080507.db2.gz VDFGMBAHBZWABN-UHFFFAOYSA-N 0 0 417.512 4.464 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H]3CCO[C@H](C(C)C)C3)cc2[N+](=O)[O-])n1 ZINC000540123884 939081411 /nfs/dbraw/zinc/08/14/11/939081411.db2.gz WXYFXXCWEPUEJE-HOCLYGCPSA-N 0 0 421.544 4.444 20 5 HIBDRN CSc1cc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccn1 ZINC000540138504 939087454 /nfs/dbraw/zinc/08/74/54/939087454.db2.gz PURWFYXPNIOROR-UHFFFAOYSA-N 0 0 417.434 4.139 20 5 HIBDRN Cc1ccc([C@@H](C)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1[N+](=O)[O-] ZINC000540167275 939099825 /nfs/dbraw/zinc/09/98/25/939099825.db2.gz AAWKLLPSIBEJTM-SNVBAGLBSA-N 0 0 413.787 4.469 20 5 HIBDRN COc1ccc(CN[C@@H](C)c2ccccc2I)cc1[N+](=O)[O-] ZINC000540170017 939101817 /nfs/dbraw/zinc/10/18/17/939101817.db2.gz CDFGCMDTFOAJNC-NSHDSACASA-N 0 0 412.227 4.059 20 5 HIBDRN Cc1n[nH]c(C(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1[N+](=O)[O-] ZINC000540196428 939120830 /nfs/dbraw/zinc/12/08/30/939120830.db2.gz NXVPDEQDOUFJCS-GFCCVEGCSA-N 0 0 402.760 4.180 20 5 HIBDRN O=C(Nc1ccc(F)cc1OCC(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000540197619 939122567 /nfs/dbraw/zinc/12/25/67/939122567.db2.gz BXDFGUPJEXYPBT-UHFFFAOYSA-N 0 0 419.153 4.393 20 5 HIBDRN CCN1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540228033 939147428 /nfs/dbraw/zinc/14/74/28/939147428.db2.gz LLAQYGNOUJEFKW-TZIWHRDSSA-N 0 0 419.884 4.272 20 5 HIBDRN CCN1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540254643 939172351 /nfs/dbraw/zinc/17/23/51/939172351.db2.gz OARIWMWAHFDGOJ-MOPGFXCFSA-N 0 0 420.872 4.022 20 5 HIBDRN COCCOc1c(Cl)cc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1Cl ZINC000540255357 939173234 /nfs/dbraw/zinc/17/32/34/939173234.db2.gz YVQXKBUXWJELHU-UHFFFAOYSA-N 0 0 415.229 4.188 20 5 HIBDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC000540316270 939192144 /nfs/dbraw/zinc/19/21/44/939192144.db2.gz TXWAIYIJIQJQJE-CQSZACIVSA-N 0 0 404.426 4.106 20 5 HIBDRN C[C@@H](NC(=O)N[C@@H](C)Cc1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC000540327232 939195977 /nfs/dbraw/zinc/19/59/77/939195977.db2.gz UEWNRUDXHHSHHV-QWHCGFSZSA-N 0 0 406.280 4.349 20 5 HIBDRN Cc1cc(C(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)c(C)n1-c1nccs1 ZINC000540345359 939201684 /nfs/dbraw/zinc/20/16/84/939201684.db2.gz JTMFEFUNMOWCQX-UHFFFAOYSA-N 0 0 415.862 4.345 20 5 HIBDRN O=C(CN[C@H](COc1ccccc1F)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000540367697 939212665 /nfs/dbraw/zinc/21/26/65/939212665.db2.gz GRFFZEDVOMHMJQ-LJQANCHMSA-N 0 0 409.417 4.082 20 5 HIBDRN O=C(Nc1cc(F)c(Br)c(F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000540454290 939256997 /nfs/dbraw/zinc/25/69/97/939256997.db2.gz MVMOTYBAKOCZCO-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(OC)c1OC ZINC000540457832 939259861 /nfs/dbraw/zinc/25/98/61/939259861.db2.gz DJMNHXNQXYECAV-UHFFFAOYSA-N 0 0 406.460 4.373 20 5 HIBDRN COc1ccc(-c2csc3[nH]c(CC(=O)c4cccc([N+](=O)[O-])c4)nc(=O)c23)cc1 ZINC000540506200 939280601 /nfs/dbraw/zinc/28/06/01/939280601.db2.gz ALTCZLVNMJDOMX-UHFFFAOYSA-N 0 0 421.434 4.406 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC000540532206 939292872 /nfs/dbraw/zinc/29/28/72/939292872.db2.gz NSDRQUGAGVHKBS-UHFFFAOYSA-N 0 0 400.431 4.112 20 5 HIBDRN CC(C)(C)C(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000540533919 939293812 /nfs/dbraw/zinc/29/38/12/939293812.db2.gz CNUZBYRPQKRYAH-UHFFFAOYSA-N 0 0 403.523 4.001 20 5 HIBDRN CC(C)[C@@H](O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000540560422 939305453 /nfs/dbraw/zinc/30/54/53/939305453.db2.gz PSWHSWVNWBBFFS-LJQANCHMSA-N 0 0 400.500 4.273 20 5 HIBDRN CC(C)(C)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)c1 ZINC000540587350 939311575 /nfs/dbraw/zinc/31/15/75/939311575.db2.gz BHWNINGMMFKTOG-UHFFFAOYSA-N 0 0 413.459 4.120 20 5 HIBDRN Cc1c(C(=O)Nc2ccc3c(Cl)ccc(C)c3n2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000540613307 939320174 /nfs/dbraw/zinc/32/01/74/939320174.db2.gz KUGFAMWJOIFYRM-UHFFFAOYSA-N 0 0 422.832 4.246 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540636466 939325585 /nfs/dbraw/zinc/32/55/85/939325585.db2.gz RAAKDIKQBWPLGW-IAGOWNOFSA-N 0 0 424.423 4.303 20 5 HIBDRN COc1cc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)ncc1Br ZINC000540654083 939331712 /nfs/dbraw/zinc/33/17/12/939331712.db2.gz ZSZWXRMLWCCHAH-UHFFFAOYSA-N 0 0 421.276 4.497 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnc(OCC(F)(F)F)c1 ZINC000540685713 939338990 /nfs/dbraw/zinc/33/89/90/939338990.db2.gz XTULBTGDSNSQFI-UHFFFAOYSA-N 0 0 412.368 4.373 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N(c1cccc(F)c1)C1CCOCC1 ZINC000540718843 939347833 /nfs/dbraw/zinc/34/78/33/939347833.db2.gz ARJGSOZWNHFKNV-UHFFFAOYSA-N 0 0 423.238 4.322 20 5 HIBDRN Cc1cc(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000540749798 939358249 /nfs/dbraw/zinc/35/82/49/939358249.db2.gz ORZQBOVPZBWIDK-ZDUSSCGKSA-N 0 0 408.380 4.172 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000540770080 939366064 /nfs/dbraw/zinc/36/60/64/939366064.db2.gz NHFUEHBKMKVHPC-CABCVRRESA-N 0 0 407.536 4.006 20 5 HIBDRN Cc1nn(CCC(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000540777440 939368477 /nfs/dbraw/zinc/36/84/77/939368477.db2.gz FLIXMKFHFCJSKA-IAGOWNOFSA-N 0 0 424.423 4.270 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccccc2O)CC1 ZINC000540786743 939372159 /nfs/dbraw/zinc/37/21/59/939372159.db2.gz WDMYHWFWZFQDFW-UHFFFAOYSA-N 0 0 415.515 4.155 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCCOc2cc(F)ccc21 ZINC000540789599 939373139 /nfs/dbraw/zinc/37/31/39/939373139.db2.gz CTCUFQJENHKDIK-HNNXBMFYSA-N 0 0 408.813 4.186 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)c2)c1 ZINC000540867192 939404498 /nfs/dbraw/zinc/40/44/98/939404498.db2.gz ZDORHZKPKMAHOF-UHFFFAOYSA-N 0 0 412.254 4.143 20 5 HIBDRN CN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000540881124 939408544 /nfs/dbraw/zinc/40/85/44/939408544.db2.gz VYHNOUWUHBDHAF-HNNXBMFYSA-N 0 0 418.755 4.036 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)c1 ZINC000540923379 939418087 /nfs/dbraw/zinc/41/80/87/939418087.db2.gz JDVLZDFOMQZEOZ-UHFFFAOYSA-N 0 0 403.851 4.316 20 5 HIBDRN CNc1ccc(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000540969510 939422334 /nfs/dbraw/zinc/42/23/34/939422334.db2.gz ZGTOCDQBZNTKKE-AWEZNQCLSA-N 0 0 419.306 4.271 20 5 HIBDRN Cn1ccnc1Sc1ccccc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000540977939 939422803 /nfs/dbraw/zinc/42/28/03/939422803.db2.gz CXMPROVFLZANNM-UHFFFAOYSA-N 0 0 420.397 4.333 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n1 ZINC000541005612 939429880 /nfs/dbraw/zinc/42/98/80/939429880.db2.gz PIROSVSXDAKFEB-ZDUSSCGKSA-N 0 0 420.395 4.052 20 5 HIBDRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541008154 939430360 /nfs/dbraw/zinc/43/03/60/939430360.db2.gz PYEIAGORTAGMOA-UHFFFAOYSA-N 0 0 422.384 4.333 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)cc2)o1 ZINC000541016600 939431818 /nfs/dbraw/zinc/43/18/18/939431818.db2.gz XILHCNXUZYXTSM-UHFFFAOYSA-N 0 0 404.329 4.061 20 5 HIBDRN C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000541022730 939433063 /nfs/dbraw/zinc/43/30/63/939433063.db2.gz DMINUMWKYSTNLN-JTQLQIEISA-N 0 0 420.397 4.206 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n1 ZINC000541051822 939442607 /nfs/dbraw/zinc/44/26/07/939442607.db2.gz OTDNYYRJTYSBHY-UHFFFAOYSA-N 0 0 405.410 4.121 20 5 HIBDRN Cc1cccc([C@H]2CCCCN2C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000541094147 939458307 /nfs/dbraw/zinc/45/83/07/939458307.db2.gz MRHRUBNDLFNVGJ-OAQYLSRUSA-N 0 0 409.486 4.004 20 5 HIBDRN COc1ccc(NC(=O)N2CCc3cc(Br)cc(C)c3C2)cc1[N+](=O)[O-] ZINC000541106188 939462382 /nfs/dbraw/zinc/46/23/82/939462382.db2.gz QHZCNVHESDBPDE-UHFFFAOYSA-N 0 0 420.263 4.265 20 5 HIBDRN COc1ccc(OCCn2nc(-c3cccs3)c3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000541123036 939469337 /nfs/dbraw/zinc/46/93/37/939469337.db2.gz NKKJOLLQNLBFTQ-UHFFFAOYSA-N 0 0 423.450 4.121 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000541136108 939473510 /nfs/dbraw/zinc/47/35/10/939473510.db2.gz VKIYTXNFXCIVHS-SFHVURJKSA-N 0 0 422.403 4.491 20 5 HIBDRN CC[C@@H](C)[C@H](NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000541138496 939474278 /nfs/dbraw/zinc/47/42/78/939474278.db2.gz JJDPCCROQJLXQE-XIKOKIGWSA-N 0 0 419.865 4.099 20 5 HIBDRN COc1ccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1[N+](=O)[O-] ZINC000541140120 939474556 /nfs/dbraw/zinc/47/45/56/939474556.db2.gz NKDJANKSLDGXMA-UHFFFAOYSA-N 0 0 418.409 4.082 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(CCCn2ccnc2)CC1 ZINC000541186784 939484856 /nfs/dbraw/zinc/48/48/56/939484856.db2.gz OBAKMEOTRVYJHN-UHFFFAOYSA-N 0 0 413.522 4.016 20 5 HIBDRN CC(C)COc1ncc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1Cl ZINC000541186804 939484907 /nfs/dbraw/zinc/48/49/07/939484907.db2.gz OZTPOVFRSWXPHX-UHFFFAOYSA-N 0 0 421.837 4.092 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2nn(C3CCCCC3)cc2C)cc1[N+](=O)[O-] ZINC000541278505 939488996 /nfs/dbraw/zinc/48/89/96/939488996.db2.gz QMCIKSIAIFYHEQ-UHFFFAOYSA-N 0 0 418.519 4.485 20 5 HIBDRN CCOC(=O)C[C@@H](C)N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000541277865 939489019 /nfs/dbraw/zinc/48/90/19/939489019.db2.gz FTUMJOKXSDXGGZ-CYBMUJFWSA-N 0 0 420.849 4.454 20 5 HIBDRN Cc1c2ccccc2sc1C(=O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000541285061 939489317 /nfs/dbraw/zinc/48/93/17/939489317.db2.gz CJQOOIAFDUSHFP-UHFFFAOYSA-N 0 0 421.272 4.233 20 5 HIBDRN CC(C)Oc1cccc(CNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000541287269 939489383 /nfs/dbraw/zinc/48/93/83/939489383.db2.gz RXKGBCGLXAWZPX-UHFFFAOYSA-N 0 0 412.364 4.096 20 5 HIBDRN COc1cc(Br)cc(C)c1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000541287740 939489457 /nfs/dbraw/zinc/48/94/57/939489457.db2.gz XSDDGDXPBOWLHE-UHFFFAOYSA-N 0 0 411.277 4.405 20 5 HIBDRN O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000541297985 939489947 /nfs/dbraw/zinc/48/99/47/939489947.db2.gz MFYBIZRYZVTJHG-UHFFFAOYSA-N 0 0 414.314 4.358 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000541298699 939490008 /nfs/dbraw/zinc/49/00/08/939490008.db2.gz KBFZVOZIHICVPK-ZDUSSCGKSA-N 0 0 404.492 4.062 20 5 HIBDRN Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccncc1 ZINC000541306248 939490313 /nfs/dbraw/zinc/49/03/13/939490313.db2.gz JGQXCSJDUCAOPC-UHFFFAOYSA-N 0 0 422.466 4.281 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000541315975 939490611 /nfs/dbraw/zinc/49/06/11/939490611.db2.gz PGGCSMFJCSHECG-LJQANCHMSA-N 0 0 415.446 4.393 20 5 HIBDRN CC(C)(C)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000541325256 939490989 /nfs/dbraw/zinc/49/09/89/939490989.db2.gz FAFPSUUMSTVPDT-SFHVURJKSA-N 0 0 412.458 4.024 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cnc2ccccc2c1C(F)(F)F ZINC000541332848 939491348 /nfs/dbraw/zinc/49/13/48/939491348.db2.gz WTLSPICVWJNMSP-UHFFFAOYSA-N 0 0 405.332 4.100 20 5 HIBDRN CCCC(=O)Nc1cccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000541398277 939505301 /nfs/dbraw/zinc/50/53/01/939505301.db2.gz GVSGWXQDNNVHNF-UHFFFAOYSA-N 0 0 421.906 4.395 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1ccc(OC(F)F)cc1 ZINC000541403548 939506477 /nfs/dbraw/zinc/50/64/77/939506477.db2.gz LSYSWASVJGHNPN-UHFFFAOYSA-N 0 0 416.833 4.301 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000541450719 939519855 /nfs/dbraw/zinc/51/98/55/939519855.db2.gz HNJGLGPBEKTNIJ-UHFFFAOYSA-N 0 0 414.462 4.218 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1ccco1)Cc1cccc(C)c1 ZINC000541526231 939544410 /nfs/dbraw/zinc/54/44/10/939544410.db2.gz VSLKBTCUCBINPD-UHFFFAOYSA-N 0 0 409.442 4.417 20 5 HIBDRN CCc1ccc([C@@H](NCc2n[nH]cc2Br)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541542658 939548673 /nfs/dbraw/zinc/54/86/73/939548673.db2.gz QLLKZXHMAXDGFW-KRWDZBQOSA-N 0 0 405.252 4.115 20 5 HIBDRN CCc1ccc([C@H](NC[C@H](O)COc2cccc(C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541547497 939550635 /nfs/dbraw/zinc/55/06/35/939550635.db2.gz YKKXOQNGYMNBIU-WMZHIEFXSA-N 0 0 410.470 4.178 20 5 HIBDRN Cc1c(Br)c(N(Cc2ccco2)Cc2cccnc2)ncc1[N+](=O)[O-] ZINC000541577237 939559250 /nfs/dbraw/zinc/55/92/50/939559250.db2.gz OHCFHDNGPOBVFX-UHFFFAOYSA-N 0 0 403.236 4.256 20 5 HIBDRN CN(C)c1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000541580900 939559912 /nfs/dbraw/zinc/55/99/12/939559912.db2.gz CEVUIYGRJRKSEQ-OAQYLSRUSA-N 0 0 408.483 4.097 20 5 HIBDRN C[C@H](C(=O)N(C)Cc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000541583970 939560354 /nfs/dbraw/zinc/56/03/54/939560354.db2.gz VFQCQCLIMLGFQF-NSHDSACASA-N 0 0 400.328 4.395 20 5 HIBDRN Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000541584608 939560816 /nfs/dbraw/zinc/56/08/16/939560816.db2.gz LCQMILYEONDYQD-YWZLYKJASA-N 0 0 416.449 4.345 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000541592669 939562091 /nfs/dbraw/zinc/56/20/91/939562091.db2.gz VCJNCFJUDVBHLU-QKKBWIMNSA-N 0 0 409.417 4.147 20 5 HIBDRN O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCCCC1 ZINC000541596088 939563074 /nfs/dbraw/zinc/56/30/74/939563074.db2.gz GTGJAOZHHMJPGJ-UHFFFAOYSA-N 0 0 419.547 4.010 20 5 HIBDRN C[C@@H](Cc1ccccc1Br)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541601981 939566048 /nfs/dbraw/zinc/56/60/48/939566048.db2.gz AKRMYAUVHDNQMK-RYUDHWBXSA-N 0 0 409.255 4.347 20 5 HIBDRN C[C@H](C(=O)N(C)Cc1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000541605633 939567577 /nfs/dbraw/zinc/56/75/77/939567577.db2.gz WIVHYKUXILMYSK-VIFPVBQESA-N 0 0 401.257 4.320 20 5 HIBDRN C[C@H](C(=O)Nc1cc(F)ccc1Sc1nccn1C)c1ccc([N+](=O)[O-])cc1F ZINC000541608741 939568567 /nfs/dbraw/zinc/56/85/67/939568567.db2.gz YHLOODPYKZUNKH-NSHDSACASA-N 0 0 418.425 4.500 20 5 HIBDRN C[C@@H](C(=O)NCC1(c2ccccc2Br)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541626082 939574254 /nfs/dbraw/zinc/57/42/54/939574254.db2.gz RPYIXCRANUXKGX-GFCCVEGCSA-N 0 0 421.266 4.448 20 5 HIBDRN C[C@@H]1N(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCC12CCOCC2 ZINC000541626538 939574294 /nfs/dbraw/zinc/57/42/94/939574294.db2.gz MKVKGZYDQBSVAU-LBPRGKRZSA-N 0 0 406.280 4.301 20 5 HIBDRN CC(C)COC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000541626009 939574541 /nfs/dbraw/zinc/57/45/41/939574541.db2.gz CNBNGXOKLRIIFL-DYVFJYSZSA-N 0 0 409.870 4.172 20 5 HIBDRN COC(=O)c1sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)nc1C1CCCC1 ZINC000541648469 939585883 /nfs/dbraw/zinc/58/58/83/939585883.db2.gz REEOUWLBCHWWSR-UHFFFAOYSA-N 0 0 415.427 4.494 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)C[C@H]3c3cccnc3)cc2)c(C)c1[N+](=O)[O-] ZINC000541650596 939587728 /nfs/dbraw/zinc/58/77/28/939587728.db2.gz QOBJHHNSRBPVCP-VFNWGFHPSA-N 0 0 419.485 4.075 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541661456 939593937 /nfs/dbraw/zinc/59/39/37/939593937.db2.gz YZAJUDWXOUXALR-KSSFIOAISA-N 0 0 424.375 4.328 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541661455 939594082 /nfs/dbraw/zinc/59/40/82/939594082.db2.gz YZAJUDWXOUXALR-KDOFPFPSSA-N 0 0 424.375 4.328 20 5 HIBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)Cn1ccnc1 ZINC000541671549 939596348 /nfs/dbraw/zinc/59/63/48/939596348.db2.gz XRGIBYBBNUPNIK-HNNXBMFYSA-N 0 0 402.520 4.140 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCC[C@@H]3c3cc[nH]n3)cc2[N+](=O)[O-])C1 ZINC000563705370 945260296 /nfs/dbraw/zinc/26/02/96/945260296.db2.gz BDBUIOYELRLHMT-GPMSIDNRSA-N 0 0 411.506 4.168 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000541739335 939618181 /nfs/dbraw/zinc/61/81/81/939618181.db2.gz GMCSLOOLPQKCER-SFHVURJKSA-N 0 0 408.376 4.087 20 5 HIBDRN C[C@@H](C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc([N+](=O)[O-])cc1F ZINC000541748770 939620272 /nfs/dbraw/zinc/62/02/72/939620272.db2.gz VAEABYNSFDEXAG-YJYMSZOUSA-N 0 0 400.454 4.343 20 5 HIBDRN Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000541761567 939623824 /nfs/dbraw/zinc/62/38/24/939623824.db2.gz GZNJZYTTWSIAGQ-JOCHJYFZSA-N 0 0 424.476 4.418 20 5 HIBDRN C[C@H](C(=O)Nc1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000541799392 939636019 /nfs/dbraw/zinc/63/60/19/939636019.db2.gz XDRWSEJRSXHVIC-VIFPVBQESA-N 0 0 423.326 4.280 20 5 HIBDRN O=C(NCC1(c2ccccc2Cl)CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541833873 939644786 /nfs/dbraw/zinc/64/47/86/939644786.db2.gz RNRHAACWVBHRHM-UHFFFAOYSA-N 0 0 407.829 4.257 20 5 HIBDRN CN(Cc1ccccc1Br)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541938557 939658339 /nfs/dbraw/zinc/65/83/39/939658339.db2.gz ARICTPVEGBWLSQ-UHFFFAOYSA-N 0 0 415.190 4.231 20 5 HIBDRN Cn1cc(Br)c(=O)c(NC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000541941313 939658726 /nfs/dbraw/zinc/65/87/26/939658726.db2.gz NDKANXFYPRPRMI-UHFFFAOYSA-N 0 0 408.255 4.102 20 5 HIBDRN Cc1ccc([C@H](NC(=O)COc2nc(C)cc(C)c2[N+](=O)[O-])c2cccs2)cc1 ZINC000541980855 939669364 /nfs/dbraw/zinc/66/93/64/939669364.db2.gz IDWGJKHVFQYUMG-IBGZPJMESA-N 0 0 411.483 4.261 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2cc(C)ccn2)CC1 ZINC000542001635 939676509 /nfs/dbraw/zinc/67/65/09/939676509.db2.gz MQENPTPRVGPPJT-UHFFFAOYSA-N 0 0 401.488 4.094 20 5 HIBDRN COc1ccc(C(=O)NCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1[N+](=O)[O-] ZINC000542022240 939689238 /nfs/dbraw/zinc/68/92/38/939689238.db2.gz UQHJSHSPOALNOQ-UHFFFAOYSA-N 0 0 413.474 4.219 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000542055041 939700680 /nfs/dbraw/zinc/70/06/80/939700680.db2.gz JYPGNADVSRWQSU-JOCHJYFZSA-N 0 0 411.502 4.068 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCOCC2(CC2)C1 ZINC000542093871 939709409 /nfs/dbraw/zinc/70/94/09/939709409.db2.gz QGYSXMSXXXFQOM-UHFFFAOYSA-N 0 0 415.877 4.113 20 5 HIBDRN CNc1ccc(C(=O)N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000542186759 939749284 /nfs/dbraw/zinc/74/92/84/939749284.db2.gz OUYNSCYDVWSVSC-UHFFFAOYSA-N 0 0 423.300 4.296 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000542192318 939751595 /nfs/dbraw/zinc/75/15/95/939751595.db2.gz SGLLHEYUOSIPML-UTKZUKDTSA-N 0 0 400.500 4.279 20 5 HIBDRN Cc1c(Br)c(=O)n(Cc2c(Cl)ccc3cccnc32)cc1[N+](=O)[O-] ZINC000542217491 939761948 /nfs/dbraw/zinc/76/19/48/939761948.db2.gz BYMCSWOAXBSQMF-UHFFFAOYSA-N 0 0 408.639 4.077 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCc1cccc(COCC(F)(F)F)c1 ZINC000542224699 939764300 /nfs/dbraw/zinc/76/43/00/939764300.db2.gz OZMFWTKGZLEATP-UHFFFAOYSA-N 0 0 414.405 4.082 20 5 HIBDRN Cc1cc(Br)cnc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542224545 939764385 /nfs/dbraw/zinc/76/43/85/939764385.db2.gz DQLRBXIULXGYHY-UHFFFAOYSA-N 0 0 416.684 4.445 20 5 HIBDRN COc1cccc([C@H]2C[C@H](C)CN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000542255261 939774022 /nfs/dbraw/zinc/77/40/22/939774022.db2.gz QSKYZLWSLABHOA-ORAYPTAESA-N 0 0 403.866 4.278 20 5 HIBDRN COc1cccc([C@@H]2C[C@@H](C)CN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000542255262 939774061 /nfs/dbraw/zinc/77/40/61/939774061.db2.gz QSKYZLWSLABHOA-YJYMSZOUSA-N 0 0 403.866 4.278 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000542261964 939776369 /nfs/dbraw/zinc/77/63/69/939776369.db2.gz YKQADXXLVNIEPC-LBPRGKRZSA-N 0 0 407.264 4.176 20 5 HIBDRN COc1c(C)cnc(CN(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000542355232 939806424 /nfs/dbraw/zinc/80/64/24/939806424.db2.gz WMRIZPDSWVADIP-UHFFFAOYSA-N 0 0 409.895 4.019 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000542358530 939806977 /nfs/dbraw/zinc/80/69/77/939806977.db2.gz CZJTWCREQBPVNH-CQSZACIVSA-N 0 0 420.874 4.433 20 5 HIBDRN C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000542401968 939815203 /nfs/dbraw/zinc/81/52/03/939815203.db2.gz KASLTYXLXOVBIX-NHYWBVRUSA-N 0 0 412.920 4.390 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2C[C@H](C)C[C@H]2c2cccc(OC)c2)cc([N+](=O)[O-])c1 ZINC000542442120 939823691 /nfs/dbraw/zinc/82/36/91/939823691.db2.gz VKCYICBTFSOIGF-VLIAUNLRSA-N 0 0 412.442 4.003 20 5 HIBDRN CC(C)CN(C(=O)c1cccc2ncnn21)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000542459354 939826466 /nfs/dbraw/zinc/82/64/66/939826466.db2.gz RURRVPUJQWAJML-UHFFFAOYSA-N 0 0 422.470 4.064 20 5 HIBDRN CCc1ccc([C@H](NCc2ccc(-n3cncn3)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542494429 939832699 /nfs/dbraw/zinc/83/26/99/939832699.db2.gz JOSDRRYVBVLEFP-JOCHJYFZSA-N 0 0 403.442 4.210 20 5 HIBDRN Cc1c(Br)c(N[C@@H](C)c2cccc(-n3cccn3)c2)ncc1[N+](=O)[O-] ZINC000542505992 939834267 /nfs/dbraw/zinc/83/42/67/939834267.db2.gz GCOSUFKJRCNPKB-LBPRGKRZSA-N 0 0 402.252 4.420 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ncnc3cccc([N+](=O)[O-])c31)O[C@@H](C)C2 ZINC000542508161 939834492 /nfs/dbraw/zinc/83/44/92/939834492.db2.gz XDLYTUUKDKNLKM-RVSPLBMKSA-N 0 0 406.442 4.228 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000542510132 939834872 /nfs/dbraw/zinc/83/48/72/939834872.db2.gz JAUKCCGGSZYHRH-WJPUGNRLSA-N 0 0 400.450 4.430 20 5 HIBDRN Cc1c(Br)c(N[C@H](c2nccn2C)c2ccccc2F)ncc1[N+](=O)[O-] ZINC000542519072 939836317 /nfs/dbraw/zinc/83/63/17/939836317.db2.gz HVSLTXPYEBAREZ-HNNXBMFYSA-N 0 0 420.242 4.135 20 5 HIBDRN C[C@H](C(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000542530399 939838265 /nfs/dbraw/zinc/83/82/65/939838265.db2.gz ADRRVCAZVLKYIW-BTYIYWSLSA-N 0 0 421.428 4.334 20 5 HIBDRN 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/nfs/dbraw/zinc/35/42/48/940354248.db2.gz BUEMUQOLOOPPJX-MRXNPFEDSA-N 0 0 410.854 4.080 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000544242825 940365537 /nfs/dbraw/zinc/36/55/37/940365537.db2.gz NOKAZABLNBCAOF-UHFFFAOYSA-N 0 0 410.373 4.320 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000544275842 940376853 /nfs/dbraw/zinc/37/68/53/940376853.db2.gz WZBQWOGIRHUZDG-MRXNPFEDSA-N 0 0 422.547 4.145 20 5 HIBDRN CCc1cc(N2CC[C@H](n3cnc4ccccc43)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000544353690 940397906 /nfs/dbraw/zinc/39/79/06/940397906.db2.gz MHDIRGYLYZJKCB-IBGZPJMESA-N 0 0 414.469 4.415 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1OC1CCOCC1 ZINC000544399414 940412483 /nfs/dbraw/zinc/41/24/83/940412483.db2.gz KJSHCBZRJPTOSZ-AWEZNQCLSA-N 0 0 402.422 4.342 20 5 HIBDRN Cc1ccc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(OC[C@@H]2CCCO2)c1 ZINC000544418161 940418701 /nfs/dbraw/zinc/41/87/01/940418701.db2.gz 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ZINC000544796586 940514942 /nfs/dbraw/zinc/51/49/42/940514942.db2.gz FFIBJGPVUBGJTB-OAHLLOKOSA-N 0 0 411.458 4.143 20 5 HIBDRN CCN1C(=O)CCc2cc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc21 ZINC000544800536 940515430 /nfs/dbraw/zinc/51/54/30/940515430.db2.gz VHPBMWZPHWPAIF-UHFFFAOYSA-N 0 0 408.458 4.090 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)nc1C(C)C ZINC000544861519 940519999 /nfs/dbraw/zinc/51/99/99/940519999.db2.gz POAHLAPQEHNTAE-UHFFFAOYSA-N 0 0 402.432 4.085 20 5 HIBDRN CCCc1c(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cnn1-c1cc(C)ccn1 ZINC000544877062 940521209 /nfs/dbraw/zinc/52/12/09/940521209.db2.gz KADDYWUQRCZTFH-UHFFFAOYSA-N 0 0 410.434 4.089 20 5 HIBDRN COc1ccc(OC)c(-c2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000544898803 940523048 /nfs/dbraw/zinc/52/30/48/940523048.db2.gz ROZCLNHFVOBLNT-JTQLQIEISA-N 0 0 405.794 4.455 20 5 HIBDRN CC(C)c1nc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)nn1-c1ccccc1F ZINC000544915321 940524960 /nfs/dbraw/zinc/52/49/60/940524960.db2.gz HUDZURPDGFIAMI-UHFFFAOYSA-N 0 0 408.393 4.079 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)c(-n2ccc(-c3nc(Cc4ccccn4)no3)n2)c(Cl)c1 ZINC000544928750 940526172 /nfs/dbraw/zinc/52/61/72/940526172.db2.gz AAKWDFCAPAWZHA-UHFFFAOYSA-N 0 0 417.212 4.123 20 5 HIBDRN O=[N+]([O-])c1cc(F)cc(-c2nc(Cc3ccc(OCc4ccccn4)cc3)no2)c1 ZINC000544961332 940528820 /nfs/dbraw/zinc/52/88/20/940528820.db2.gz LRQDWGSOAKFQAW-UHFFFAOYSA-N 0 0 406.373 4.349 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1nc(Cc2cc(Br)ccc2F)no1 ZINC000544961726 940528865 /nfs/dbraw/zinc/52/88/65/940528865.db2.gz YRCGQBDCHFNHBP-UHFFFAOYSA-N 0 0 421.226 4.125 20 5 HIBDRN COCCOc1ccc(-c2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1F ZINC000544999491 940532225 /nfs/dbraw/zinc/53/22/25/940532225.db2.gz OKGHZEAYDKEIJZ-NSHDSACASA-N 0 0 405.357 4.100 20 5 HIBDRN Cc1ccccc1NCCc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000545013211 940533588 /nfs/dbraw/zinc/53/35/88/940533588.db2.gz KOGITMSABIENKD-UHFFFAOYSA-N 0 0 417.263 4.294 20 5 HIBDRN 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940539273 /nfs/dbraw/zinc/53/92/73/940539273.db2.gz BCNINLDUBZBPNG-UHFFFAOYSA-N 0 0 402.414 4.386 20 5 HIBDRN CCCc1nc2ccccc2n1CCc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000545077678 940539935 /nfs/dbraw/zinc/53/99/35/940539935.db2.gz LJNNZBBQQVBYGO-UHFFFAOYSA-N 0 0 405.458 4.422 20 5 HIBDRN CCCN(CC)C(=O)c1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)cc1 ZINC000545079424 940540306 /nfs/dbraw/zinc/54/03/06/940540306.db2.gz ZFJBIICNOKKCLU-UHFFFAOYSA-N 0 0 408.458 4.416 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(CCc3ncc(-c4ccc(Cl)cc4)o3)n2)nc1 ZINC000545079148 940540336 /nfs/dbraw/zinc/54/03/36/940540336.db2.gz YKGLRSYMXMIBJQ-UHFFFAOYSA-N 0 0 411.805 4.057 20 5 HIBDRN COc1cc(Cc2noc(-c3cnc(-c4ccccc4)nc3C)n2)ccc1[N+](=O)[O-] ZINC000545080814 940540633 /nfs/dbraw/zinc/54/06/33/940540633.db2.gz SGRJMRVFLSDFGE-UHFFFAOYSA-N 0 0 403.398 4.010 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(-c3nc(-c4ccc(OC5CCOCC5)cc4)no3)c2c1 ZINC000545082613 940540770 /nfs/dbraw/zinc/54/07/70/940540770.db2.gz UZLIQVUJJFVLEF-UHFFFAOYSA-N 0 0 406.398 4.351 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3cc(OC4CCC4)ccn3)no2)ccc1OC(F)F ZINC000545099092 940542387 /nfs/dbraw/zinc/54/23/87/940542387.db2.gz OCTJFORPXUJEBP-UHFFFAOYSA-N 0 0 404.329 4.240 20 5 HIBDRN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCc1ccc(F)c(Br)c1 ZINC000545111308 940543799 /nfs/dbraw/zinc/54/37/99/940543799.db2.gz PPAORTIGTHAJIV-UHFFFAOYSA-N 0 0 424.251 4.036 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000545121451 940544795 /nfs/dbraw/zinc/54/47/95/940544795.db2.gz KTYGZJJXBHLDNZ-LBPRGKRZSA-N 0 0 409.483 4.224 20 5 HIBDRN C[C@@H](c1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1)N1CCOCC1 ZINC000545125122 940545318 /nfs/dbraw/zinc/54/53/18/940545318.db2.gz DXLLLYJHHZIVCQ-HNNXBMFYSA-N 0 0 415.465 4.043 20 5 HIBDRN COc1ccc2c(c1)CCC[C@@H]2c1noc(COc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000545132939 940546985 /nfs/dbraw/zinc/54/69/85/940546985.db2.gz IXKPIOPUDGWFDM-KRWDZBQOSA-N 0 0 411.414 4.042 20 5 HIBDRN COc1ccc(COCCCc2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc1 ZINC000545133346 940547089 /nfs/dbraw/zinc/54/70/89/940547089.db2.gz PBCPIUKEDQTXHY-UHFFFAOYSA-N 0 0 422.441 4.139 20 5 HIBDRN Cc1c(Cc2nc(-c3ccc(C(=O)N4CCC[C@H]4C)cc3)no2)cccc1[N+](=O)[O-] ZINC000545143028 940549368 /nfs/dbraw/zinc/54/93/68/940549368.db2.gz XWHMVMHPAJRCNW-CQSZACIVSA-N 0 0 406.442 4.169 20 5 HIBDRN Cc1cc(C)n(Cc2cccc(-c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)c2)n1 ZINC000545145545 940550312 /nfs/dbraw/zinc/55/03/12/940550312.db2.gz JHAUQWOCTUSAMT-UHFFFAOYSA-N 0 0 403.442 4.406 20 5 HIBDRN Cn1ccc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc2)n1 ZINC000545151224 940551503 /nfs/dbraw/zinc/55/15/03/940551503.db2.gz GHFMPLNZYVPBBT-KRWDZBQOSA-N 0 0 403.801 4.032 20 5 HIBDRN Cc1cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1-c1ccccc1 ZINC000545176931 940554429 /nfs/dbraw/zinc/55/44/29/940554429.db2.gz RKCKJKUEZBRLOO-UHFFFAOYSA-N 0 0 417.469 4.319 20 5 HIBDRN COc1cc(CN(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)ccc1OC(F)F ZINC000545211525 940556135 /nfs/dbraw/zinc/55/61/35/940556135.db2.gz JUUGQUFTAPSURX-UHFFFAOYSA-N 0 0 409.389 4.486 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 ZINC000545251795 940558633 /nfs/dbraw/zinc/55/86/33/940558633.db2.gz KDQJMOLENWZHCX-UHFFFAOYSA-N 0 0 406.442 4.229 20 5 HIBDRN Cc1cc(NC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000545329723 940562104 /nfs/dbraw/zinc/56/21/04/940562104.db2.gz ZDTFSGDGWAWVSG-UHFFFAOYSA-N 0 0 404.426 4.477 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000545357303 940564697 /nfs/dbraw/zinc/56/46/97/940564697.db2.gz AAWRFFBAWWCAHP-KRWDZBQOSA-N 0 0 402.497 4.060 20 5 HIBDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000545372792 940566421 /nfs/dbraw/zinc/56/64/21/940566421.db2.gz OZFHPMLUADPHQQ-CHWSQXEVSA-N 0 0 420.849 4.006 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N(Cc1cccs1)c1ccc(F)cc1 ZINC000545386875 940567741 /nfs/dbraw/zinc/56/77/41/940567741.db2.gz ICHMYGKTEMBUED-UHFFFAOYSA-N 0 0 406.460 4.332 20 5 HIBDRN CCN(CCC1CC1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000545452609 940570588 /nfs/dbraw/zinc/57/05/88/940570588.db2.gz KTXURVSSQZJVLI-UHFFFAOYSA-N 0 0 413.440 4.479 20 5 HIBDRN COc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC(C)C ZINC000545455383 940570660 /nfs/dbraw/zinc/57/06/60/940570660.db2.gz HELROZNAXUFVJP-UHFFFAOYSA-N 0 0 413.474 4.246 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc1 ZINC000545457514 940570783 /nfs/dbraw/zinc/57/07/83/940570783.db2.gz ITHGHJITGVEGBF-UHFFFAOYSA-N 0 0 412.870 4.039 20 5 HIBDRN COC(=O)c1sc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)nc1C1CCCC1 ZINC000545492854 940571958 /nfs/dbraw/zinc/57/19/58/940571958.db2.gz UDZGEJPJIXGUDS-UHFFFAOYSA-N 0 0 414.443 4.229 20 5 HIBDRN C[C@@H](Oc1ccc(Br)cc1)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000545531872 940573542 /nfs/dbraw/zinc/57/35/42/940573542.db2.gz BVDNXJUEPDBLIS-LLVKDONJSA-N 0 0 404.220 4.471 20 5 HIBDRN Cn1ccnc1Sc1ncc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1Cl ZINC000545554465 940574542 /nfs/dbraw/zinc/57/45/42/940574542.db2.gz PKVWPTDOIVSTOV-UHFFFAOYSA-N 0 0 414.834 4.245 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(-c3cccc(S(=O)(=O)Cc4ccccc4)c3)n2)cc1 ZINC000545554524 940574561 /nfs/dbraw/zinc/57/45/61/940574561.db2.gz TZHUWXBKNCPIQR-UHFFFAOYSA-N 0 0 421.434 4.286 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(-c3nc(Cc4cn5ccccc5n4)no3)cc2[N+](=O)[O-])C1 ZINC000545600181 940576732 /nfs/dbraw/zinc/57/67/32/940576732.db2.gz BCVPKSXBQNCSSX-OAHLLOKOSA-N 0 0 418.457 4.120 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)c2nc(Cc3nc4ccccc4n3C(F)F)no2)cc1 ZINC000545618376 940577525 /nfs/dbraw/zinc/57/75/25/940577525.db2.gz QTBMUXDQQKAMLP-UHFFFAOYSA-N 0 0 421.310 4.454 20 5 HIBDRN COCc1cccc(-c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)c1 ZINC000545632227 940578190 /nfs/dbraw/zinc/57/81/90/940578190.db2.gz QGPXESICHWHDGI-UHFFFAOYSA-N 0 0 422.363 4.465 20 5 HIBDRN COc1ccc(Br)cc1-c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000545633047 940578193 /nfs/dbraw/zinc/57/81/93/940578193.db2.gz DHDFKVFWUALTPX-UHFFFAOYSA-N 0 0 419.235 4.052 20 5 HIBDRN COc1ccc(S[C@@H](C)c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1 ZINC000545671063 940579868 /nfs/dbraw/zinc/57/98/68/940579868.db2.gz WLDYODSZYQNUHW-ZDUSSCGKSA-N 0 0 400.460 4.494 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(CCCOc2ccc(Cl)cc2)n1 ZINC000545676303 940580118 /nfs/dbraw/zinc/58/01/18/940580118.db2.gz RFFLNJOYSXSMQM-UHFFFAOYSA-N 0 0 402.838 4.297 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)cc(C(F)(F)F)c1 ZINC000545708664 940581779 /nfs/dbraw/zinc/58/17/79/940581779.db2.gz LLNKHBLKRWDXJP-UHFFFAOYSA-N 0 0 420.347 4.167 20 5 HIBDRN Cc1cccc2c(Cc3noc(-c4ccn(-c5ccccc5[N+](=O)[O-])n4)n3)c[nH]c21 ZINC000545712618 940581858 /nfs/dbraw/zinc/58/18/58/940581858.db2.gz OOHRCSNZZCUDDP-UHFFFAOYSA-N 0 0 400.398 4.211 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(CCCc3ccccc3Cl)no2)ccc1-n1cncn1 ZINC000545717979 940582119 /nfs/dbraw/zinc/58/21/19/940582119.db2.gz HDLFZYQLTHBQRF-UHFFFAOYSA-N 0 0 410.821 4.054 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 ZINC000545722194 940582313 /nfs/dbraw/zinc/58/23/13/940582313.db2.gz ZWRDUNINTGMASD-ZIAGYGMSSA-N 0 0 410.455 4.352 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccc5nccnc5c4)no3)cs2)c1 ZINC000545735639 940582973 /nfs/dbraw/zinc/58/29/73/940582973.db2.gz SQOHQMXUNSBGAK-UHFFFAOYSA-N 0 0 402.395 4.379 20 5 HIBDRN COCCOc1ccc(-c2noc(-c3ccc(SC)c([N+](=O)[O-])c3)n2)cc1F ZINC000545743823 940583389 /nfs/dbraw/zinc/58/33/89/940583389.db2.gz YZZZBRFSJICPLU-UHFFFAOYSA-N 0 0 405.407 4.198 20 5 HIBDRN COc1ccc2cccc(Cc3noc(COc4ccc([N+](=O)[O-])c(OC)c4)n3)c2c1 ZINC000545751552 940583767 /nfs/dbraw/zinc/58/37/67/940583767.db2.gz KAXMBZUEOPKWTR-UHFFFAOYSA-N 0 0 421.409 4.318 20 5 HIBDRN COc1cc(Cc2noc(-c3cnc4onc(C(C)(C)C)c4c3)n2)ccc1[N+](=O)[O-] ZINC000545761108 940584376 /nfs/dbraw/zinc/58/43/76/940584376.db2.gz ILRCVZZUVWALSV-UHFFFAOYSA-N 0 0 409.402 4.078 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc([C@H]3C[C@H]3c3ccccc3OC(F)(F)F)n2)nc1 ZINC000545777225 940585093 /nfs/dbraw/zinc/58/50/93/940585093.db2.gz LLGRROURFORGHM-KBPBESRZSA-N 0 0 406.320 4.133 20 5 HIBDRN CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC000545778753 940586948 /nfs/dbraw/zinc/58/69/48/940586948.db2.gz CPMQBWUSTADZJL-KRWDZBQOSA-N 0 0 405.414 4.397 20 5 HIBDRN Cc1cc(Br)ccc1SCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000545780150 940588087 /nfs/dbraw/zinc/58/80/87/940588087.db2.gz OOILXIAGVDYOJT-UHFFFAOYSA-N 0 0 421.276 4.327 20 5 HIBDRN COc1ccc(Br)c(Cc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c1 ZINC000545781396 940589427 /nfs/dbraw/zinc/58/94/27/940589427.db2.gz FDNRCIQDXJHDLM-UHFFFAOYSA-N 0 0 418.247 4.239 20 5 HIBDRN CC(C)NC(=O)CCCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 ZINC000545782050 940589482 /nfs/dbraw/zinc/58/94/82/940589482.db2.gz QNBHFJYVMRVFPM-UHFFFAOYSA-N 0 0 410.430 4.284 20 5 HIBDRN CCCCOc1ccc(/C=C\c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1OC ZINC000545785413 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UXAGFLRYMTYCNO-UHFFFAOYSA-N 0 0 408.433 4.204 20 5 HIBDRN CC(C)(NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000546068835 940690206 /nfs/dbraw/zinc/69/02/06/940690206.db2.gz FOFWPWHICSJABO-UHFFFAOYSA-N 0 0 403.287 4.256 20 5 HIBDRN CNc1ccc(-c2nc(Cc3ccc(-n4nc(C)cc4C)cc3)no2)cc1[N+](=O)[O-] ZINC000546247734 940746456 /nfs/dbraw/zinc/74/64/56/940746456.db2.gz YFBXSKWGOMSWHU-UHFFFAOYSA-N 0 0 404.430 4.080 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(/C=C/c3ccc(I)o3)n2)cc1 ZINC000546259251 940751261 /nfs/dbraw/zinc/75/12/61/940751261.db2.gz OYVWFDCNDOZHOX-SOFGYWHQSA-N 0 0 409.139 4.013 20 5 HIBDRN Cn1cnnc1Sc1ccc(-c2nc(-c3cccc4[nH]ccc43)no2)cc1[N+](=O)[O-] ZINC000546276455 940758285 /nfs/dbraw/zinc/75/82/85/940758285.db2.gz SGQDQTRGQSJNRX-UHFFFAOYSA-N 0 0 419.426 4.073 20 5 HIBDRN Cc1c(Cc2nc(Cc3ccc(OCc4ccccn4)cc3)no2)cccc1[N+](=O)[O-] ZINC000546285518 940764291 /nfs/dbraw/zinc/76/42/91/940764291.db2.gz YVUFJSWHWAVLDE-UHFFFAOYSA-N 0 0 416.437 4.442 20 5 HIBDRN O=C(Nc1cccc(-c2noc(COc3ccccc3[N+](=O)[O-])n2)c1)c1ccco1 ZINC000546318356 940781337 /nfs/dbraw/zinc/78/13/37/940781337.db2.gz SEQIPWNLOHUFIP-UHFFFAOYSA-N 0 0 406.354 4.069 20 5 HIBDRN COc1ccc(OCc2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 ZINC000546326522 940786183 /nfs/dbraw/zinc/78/61/83/940786183.db2.gz HRPBDAJOFPEXAN-UHFFFAOYSA-N 0 0 410.411 4.356 20 5 HIBDRN Cc1ccc(Cc2noc(-c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)n2)cn1 ZINC000546339663 940793785 /nfs/dbraw/zinc/79/37/85/940793785.db2.gz LNUQYIVAFWFQLL-HUUCEWRRSA-N 0 0 407.474 4.421 20 5 HIBDRN COc1cc(Cc2noc(Cc3cccc([N+](=O)[O-])c3)n2)ccc1OCC(F)(F)F ZINC000546343666 940795819 /nfs/dbraw/zinc/79/58/19/940795819.db2.gz FGUNDDBKFMKRQN-UHFFFAOYSA-N 0 0 423.347 4.109 20 5 HIBDRN CCOc1ccc(Br)cc1-c1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000546346424 940796933 /nfs/dbraw/zinc/79/69/33/940796933.db2.gz UPYHYHUCWGPAEP-UHFFFAOYSA-N 0 0 420.219 4.385 20 5 HIBDRN COCCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)c1 ZINC000546373674 940804366 /nfs/dbraw/zinc/80/43/66/940804366.db2.gz NVQJTHMKMLUYPV-UHFFFAOYSA-N 0 0 420.219 4.100 20 5 HIBDRN O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc(Cc2ccc(Oc3ncccn3)cc2)no1 ZINC000546380965 940806025 /nfs/dbraw/zinc/80/60/25/940806025.db2.gz HQBXYFJEDAWJHW-WEVVVXLNSA-N 0 0 419.372 4.460 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(Cc2ccc(F)c(Br)c2)n1 ZINC000546380758 940806061 /nfs/dbraw/zinc/80/60/61/940806061.db2.gz JZSUFTWPPOPOBA-UHFFFAOYSA-N 0 0 421.226 4.125 20 5 HIBDRN Cc1c(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)nnn1-c1cccc2ncccc21 ZINC000546398087 940810398 /nfs/dbraw/zinc/81/03/98/940810398.db2.gz PFLVTDJGVVDYDZ-UHFFFAOYSA-N 0 0 413.397 4.058 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2csc(I)c2)n1 ZINC000546400216 940811111 /nfs/dbraw/zinc/81/11/11/940811111.db2.gz ACSYGNVNALWTGQ-UHFFFAOYSA-N 0 0 413.196 4.286 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3nc([C@@H]4OCCc5ccccc54)no3)cs2)c1 ZINC000546424625 940816982 /nfs/dbraw/zinc/81/69/82/940816982.db2.gz LSTRDQVHFYMGPM-QGZVFWFLSA-N 0 0 406.423 4.430 20 5 HIBDRN O=c1[nH]c2ccc(-c3noc(-c4csc(-c5ccc([N+](=O)[O-])cc5)n4)n3)cc2[nH]1 ZINC000546426764 940817725 /nfs/dbraw/zinc/81/77/25/940817725.db2.gz PZMWKQIMQZXUBW-UHFFFAOYSA-N 0 0 406.383 4.017 20 5 HIBDRN Cc1cncc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 ZINC000546449366 940822862 /nfs/dbraw/zinc/82/28/62/940822862.db2.gz GOVTXTHHUYZTPT-GORDUTHDSA-N 0 0 401.220 4.205 20 5 HIBDRN COc1cc(-c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)c2ccccc2n1 ZINC000546451834 940823467 /nfs/dbraw/zinc/82/34/67/940823467.db2.gz COJGOVBGBGXQKW-UHFFFAOYSA-N 0 0 415.365 4.122 20 5 HIBDRN CC(=O)N(C)CCc1noc(-c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 ZINC000546451062 940823474 /nfs/dbraw/zinc/82/34/74/940823474.db2.gz HKIVPFATLGHFTO-UHFFFAOYSA-N 0 0 412.471 4.125 20 5 HIBDRN CC(C)(C)c1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)no1 ZINC000546452468 940823866 /nfs/dbraw/zinc/82/38/66/940823866.db2.gz WIGPAGGRSYIVOQ-UHFFFAOYSA-N 0 0 407.224 4.284 20 5 HIBDRN Cc1ccc(-c2noc(Cn3ccc(=O)c([N+](=O)[O-])c3)n2)c(Sc2ccccc2)c1 ZINC000546464898 940826976 /nfs/dbraw/zinc/82/69/76/940826976.db2.gz KICKGWAXXMNJIY-UHFFFAOYSA-N 0 0 420.450 4.314 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc(-c2cccc(OCC(F)(F)F)n2)no1 ZINC000546474437 940830362 /nfs/dbraw/zinc/83/03/62/940830362.db2.gz WCYQZKLPLJLPCZ-UHFFFAOYSA-N 0 0 405.292 4.129 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ccnc(OCC(F)(F)F)c4)n3)c2c1 ZINC000546488138 940833830 /nfs/dbraw/zinc/83/38/30/940833830.db2.gz MPQSXXAMUUCKIB-UHFFFAOYSA-N 0 0 419.319 4.053 20 5 HIBDRN Cc1nn(-c2ccccc2)c2sc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)cc12 ZINC000546489242 940834593 /nfs/dbraw/zinc/83/45/93/940834593.db2.gz UFTOWMMEUGATMN-UHFFFAOYSA-N 0 0 418.438 4.339 20 5 HIBDRN CCN(CC)C(=O)c1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 ZINC000546490599 940834956 /nfs/dbraw/zinc/83/49/56/940834956.db2.gz JFVKMVXJNLKNBJ-UHFFFAOYSA-N 0 0 419.441 4.199 20 5 HIBDRN Cc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)nc(-c2ccc(Cl)cc2)n1 ZINC000546492836 940835569 /nfs/dbraw/zinc/83/55/69/940835569.db2.gz CMLROBFSXJYYPV-UHFFFAOYSA-N 0 0 408.805 4.049 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(-c3nc([C@@H]4CCO[C@H](C)C4)no3)cc2[N+](=O)[O-])C1 ZINC000546508219 940839091 /nfs/dbraw/zinc/83/90/91/940839091.db2.gz AFUDIVBIKGMGMM-QKPAOTATSA-N 0 0 400.479 4.410 20 5 HIBDRN CO[C@@H](c1noc(COc2ccccc2[N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000546513972 940840227 /nfs/dbraw/zinc/84/02/27/940840227.db2.gz CJQFZOYBNLRWPC-MRXNPFEDSA-N 0 0 420.219 4.055 20 5 HIBDRN CNc1ccc(-c2nc([C@@H](OC)c3ccc(Br)cc3)no2)cc1[N+](=O)[O-] ZINC000546515075 940840611 /nfs/dbraw/zinc/84/06/11/940840611.db2.gz CWXLMTPCDODFOB-HNNXBMFYSA-N 0 0 419.235 4.185 20 5 HIBDRN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCc1c(F)cccc1Br ZINC000546524807 940843533 /nfs/dbraw/zinc/84/35/33/940843533.db2.gz VZFGEECSSWHQMV-UHFFFAOYSA-N 0 0 424.251 4.036 20 5 HIBDRN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCc1ccc(Cl)c2cccnc12 ZINC000546526814 940844153 /nfs/dbraw/zinc/84/41/53/940844153.db2.gz MEIBBJJPCPWCCA-UHFFFAOYSA-N 0 0 412.858 4.336 20 5 HIBDRN CCCC(=O)Nc1cccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000546535440 940846320 /nfs/dbraw/zinc/84/63/20/940846320.db2.gz FSDUCTUVUKGDBP-UHFFFAOYSA-N 0 0 401.438 4.067 20 5 HIBDRN Cc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)ccc1C(=O)NC(C)C ZINC000546537081 940846966 /nfs/dbraw/zinc/84/69/66/940846966.db2.gz ATGQRAGRAKENOS-UHFFFAOYSA-N 0 0 401.438 4.097 20 5 HIBDRN Cn1cncc1Cc1noc(-c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000546554129 940851136 /nfs/dbraw/zinc/85/11/36/940851136.db2.gz JQUDOHQHQYGLAX-UHFFFAOYSA-N 0 0 411.805 4.415 20 5 HIBDRN CCc1ccc(-c2nc(-c3ccc(C(=O)N4CCC[C@H]4C)cc3)no2)cc1[N+](=O)[O-] ZINC000546558948 940853035 /nfs/dbraw/zinc/85/30/35/940853035.db2.gz BZMAZDNUABUUQO-CQSZACIVSA-N 0 0 406.442 4.499 20 5 HIBDRN CC(C)(C(=O)NCCCOc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1F ZINC000546564312 940854405 /nfs/dbraw/zinc/85/44/05/940854405.db2.gz QGHYKEYMGGWFEI-UHFFFAOYSA-N 0 0 411.433 4.145 20 5 HIBDRN C[C@H](NC(=O)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000546574240 940856208 /nfs/dbraw/zinc/85/62/08/940856208.db2.gz HQRGYFRGMYUGOT-DJJJIMSYSA-N 0 0 413.865 4.132 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2cccc(OCC)c2[N+](=O)[O-])C1 ZINC000546578182 940856939 /nfs/dbraw/zinc/85/69/39/940856939.db2.gz JNKVQPWOFYGJTP-CQSZACIVSA-N 0 0 417.428 4.011 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000546611379 940861020 /nfs/dbraw/zinc/86/10/20/940861020.db2.gz LEUWXGBTVYEIHL-AWEZNQCLSA-N 0 0 413.430 4.407 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000546661736 940866424 /nfs/dbraw/zinc/86/64/24/940866424.db2.gz HVDYECTYGYQKAX-KRWDZBQOSA-N 0 0 420.453 4.262 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000546664157 940866793 /nfs/dbraw/zinc/86/67/93/940866793.db2.gz CQRXXSHJYLLRKC-UHFFFAOYSA-N 0 0 401.419 4.432 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000546665519 940867207 /nfs/dbraw/zinc/86/72/07/940867207.db2.gz QMLVYVSYYBZCAX-UHFFFAOYSA-N 0 0 400.822 4.393 20 5 HIBDRN COc1ccc(CC(=O)Nc2c(-c3ccccc3)nc3ccccn32)cc1[N+](=O)[O-] ZINC000546702430 940870778 /nfs/dbraw/zinc/87/07/78/940870778.db2.gz VUCYICNPMWWODU-UHFFFAOYSA-N 0 0 402.410 4.099 20 5 HIBDRN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000546729559 940873842 /nfs/dbraw/zinc/87/38/42/940873842.db2.gz NXFVTIMVFRVPSC-UHFFFAOYSA-N 0 0 416.377 4.048 20 5 HIBDRN CC(C)(C)Cc1nc2cc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000546791808 940883925 /nfs/dbraw/zinc/88/39/25/940883925.db2.gz WNKISUODVSUJQO-UHFFFAOYSA-N 0 0 403.460 4.267 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000546801384 940885463 /nfs/dbraw/zinc/88/54/63/940885463.db2.gz BUNUNJJUJNKPBT-NRFANRHFSA-N 0 0 410.495 4.388 20 5 HIBDRN CCN1C(=O)CCc2cc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc21 ZINC000546813966 940887196 /nfs/dbraw/zinc/88/71/96/940887196.db2.gz WUQLVOCWWPXPLR-UHFFFAOYSA-N 0 0 407.348 4.165 20 5 HIBDRN CCc1ccc([C@H](N[C@H]2CCCc3cn(CCOC)nc32)c2ccc([N+](=O)[O-])cc2)o1 ZINC000546930213 940917073 /nfs/dbraw/zinc/91/70/73/940917073.db2.gz CCOPRFCAYMRGDM-NZQKXSOJSA-N 0 0 424.501 4.350 20 5 HIBDRN Cn1ccnc1SCc1cccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c1 ZINC000546948755 940923896 /nfs/dbraw/zinc/92/38/96/940923896.db2.gz FURBEZIUHQDWBW-UHFFFAOYSA-N 0 0 407.455 4.261 20 5 HIBDRN O=[N+]([O-])c1ccccc1Cc1noc(Cc2csc(-c3ccc4c(c3)OCO4)n2)n1 ZINC000546948635 940923907 /nfs/dbraw/zinc/92/39/07/940923907.db2.gz PHMBLAMMIDAORU-UHFFFAOYSA-N 0 0 422.422 4.012 20 5 HIBDRN CC(=O)Nc1ccccc1-c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000546958248 940927157 /nfs/dbraw/zinc/92/71/57/940927157.db2.gz PGTITQNCMBXEMY-UHFFFAOYSA-N 0 0 407.411 4.394 20 5 HIBDRN COc1cc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)cc(OC)c1Br ZINC000546981039 940935992 /nfs/dbraw/zinc/93/59/92/940935992.db2.gz BZTWZUBHXDXJEI-UHFFFAOYSA-N 0 0 420.219 4.400 20 5 HIBDRN COc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3C)n2)ccc1OC[C@H]1CCCO1 ZINC000546988856 940942621 /nfs/dbraw/zinc/94/26/21/940942621.db2.gz KWJRJUMZAXIONT-OAHLLOKOSA-N 0 0 411.414 4.187 20 5 HIBDRN Cc1ccc(-c2noc(Cc3csc(-c4ccc5c(c4)OCO5)n3)n2)cc1[N+](=O)[O-] ZINC000546991308 940944809 /nfs/dbraw/zinc/94/48/09/940944809.db2.gz BIINOQRSWGDETB-UHFFFAOYSA-N 0 0 422.422 4.396 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1nc(Cc2ccc(OC(F)(F)F)cc2)no1 ZINC000547022794 940961230 /nfs/dbraw/zinc/96/12/30/940961230.db2.gz PADLCSXCQUQZMV-UHFFFAOYSA-N 0 0 408.336 4.122 20 5 HIBDRN CC(=O)Nc1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 ZINC000547037206 940969479 /nfs/dbraw/zinc/96/94/79/940969479.db2.gz QRLSWEHDVQBYTJ-UHFFFAOYSA-N 0 0 410.433 4.211 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc(-c3cccnc3N3CCCC3)no2)c2ccccc12 ZINC000547082865 940988123 /nfs/dbraw/zinc/98/81/23/940988123.db2.gz YJGCVKHBMGKPPG-UHFFFAOYSA-N 0 0 423.476 4.248 20 5 HIBDRN CS[C@@H]1C(=O)Nc2ccc(-c3noc(/C=C\c4ccc(F)cc4[N+](=O)[O-])n3)cc21 ZINC000547123157 941003992 /nfs/dbraw/zinc/00/39/92/941003992.db2.gz GNVNJGVOWVEHEA-IMXKFXGHSA-N 0 0 412.402 4.311 20 5 HIBDRN CCOc1ccc(-c2nc(-c3ccc4c(c3)[C@@H](SC)C(=O)N4)no2)cc1[N+](=O)[O-] ZINC000547127114 941004982 /nfs/dbraw/zinc/00/49/82/941004982.db2.gz NBBVFYQVYWRGSV-MRXNPFEDSA-N 0 0 412.427 4.067 20 5 HIBDRN COc1cc(OCc2nc(Cc3cc(Cl)ccc3Cl)no2)ccc1[N+](=O)[O-] ZINC000547141173 941010264 /nfs/dbraw/zinc/01/02/64/941010264.db2.gz ZAPHJNXMOWLJGU-UHFFFAOYSA-N 0 0 410.213 4.463 20 5 HIBDRN Cc1cccnc1/C=C\c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000547151750 941012652 /nfs/dbraw/zinc/01/26/52/941012652.db2.gz WOFIIWWVIXXXSZ-SREVYHEPSA-N 0 0 401.220 4.205 20 5 HIBDRN Cc1csc(Sc2ccc(-c3nc(COCC4CC4)no3)cc2[N+](=O)[O-])n1 ZINC000547155881 941014151 /nfs/dbraw/zinc/01/41/51/941014151.db2.gz IPHNKMUHCZLPJM-UHFFFAOYSA-N 0 0 404.473 4.488 20 5 HIBDRN Cc1ccc(-c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)c(N2CCOCC2)c1 ZINC000547173030 941020784 /nfs/dbraw/zinc/02/07/84/941020784.db2.gz WSXXNSYPSISMFI-DAXSKMNVSA-N 0 0 410.405 4.099 20 5 HIBDRN O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(-c4nccn5ccnc45)n3)cc2)c1 ZINC000547179170 941022971 /nfs/dbraw/zinc/02/29/71/941022971.db2.gz PWKSFQQNJAXYRP-UHFFFAOYSA-N 0 0 400.354 4.147 20 5 HIBDRN COc1cc(Cc2noc(-c3cc(Br)ccc3F)n2)ccc1[N+](=O)[O-] ZINC000547194173 941027600 /nfs/dbraw/zinc/02/76/00/941027600.db2.gz ASNWHJBVCSVWBH-UHFFFAOYSA-N 0 0 408.183 4.146 20 5 HIBDRN Cc1nn(CCc2nc(-c3ccccc3OCC3CCCC3)no2)c(C)c1[N+](=O)[O-] ZINC000547194346 941027716 /nfs/dbraw/zinc/02/77/16/941027716.db2.gz IJCKQUZZRQJMRT-UHFFFAOYSA-N 0 0 411.462 4.270 20 5 HIBDRN Cc1c(Cc2noc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cccc1[N+](=O)[O-] ZINC000547198402 941028880 /nfs/dbraw/zinc/02/88/80/941028880.db2.gz PDJYHKHSFVMDNI-AWEZNQCLSA-N 0 0 412.833 4.051 20 5 HIBDRN Cc1cc(-c2noc(CCc3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)n2)ccc1F ZINC000547201135 941030406 /nfs/dbraw/zinc/03/04/06/941030406.db2.gz UDHJHRHRQKZZNI-UHFFFAOYSA-N 0 0 423.404 4.160 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000547240642 941041161 /nfs/dbraw/zinc/04/11/61/941041161.db2.gz DRZVAEYEKTZNSS-CQSZACIVSA-N 0 0 418.465 4.024 20 5 HIBDRN CC(C)(C(=O)NCc1ccnc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000547240737 941041395 /nfs/dbraw/zinc/04/13/95/941041395.db2.gz JOXNQPCQOAKFCV-UHFFFAOYSA-N 0 0 423.444 4.302 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000547246379 941042162 /nfs/dbraw/zinc/04/21/62/941042162.db2.gz KCWQWHUTWYJYSG-CYBMUJFWSA-N 0 0 404.438 4.215 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(CCc4ccc(OC(F)F)cc4)n3)c2c1 ZINC000547263816 941047401 /nfs/dbraw/zinc/04/74/01/941047401.db2.gz IOFKFPPQULAFOD-UHFFFAOYSA-N 0 0 414.368 4.437 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCc1nc(-c2cc(Cl)ccc2O[C@H]2CCOC2)no1 ZINC000547264278 941047634 /nfs/dbraw/zinc/04/76/34/941047634.db2.gz SUZRORJBJMHZSA-ZDUSSCGKSA-N 0 0 416.821 4.078 20 5 HIBDRN 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20 5 HIBDRN CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(OCc2ccccc2)cc1 ZINC000548706839 941120683 /nfs/dbraw/zinc/12/06/83/941120683.db2.gz KMPPVDRNMUIUFP-UHFFFAOYSA-N 0 0 406.394 4.179 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])cc1OCC ZINC000548733594 941121819 /nfs/dbraw/zinc/12/18/19/941121819.db2.gz JHSGQAPSMSELRJ-AWEZNQCLSA-N 0 0 419.409 4.177 20 5 HIBDRN O=c1[nH]cnc2cc(N3CC[C@](F)(c4cccc(C(F)(F)F)c4)C3)c([N+](=O)[O-])cc12 ZINC000548870029 941127365 /nfs/dbraw/zinc/12/73/65/941127365.db2.gz SPTVLQLIBWTYAS-GOSISDBHSA-N 0 0 422.338 4.338 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1 ZINC000548951010 941132741 /nfs/dbraw/zinc/13/27/41/941132741.db2.gz WWOZUABEZYLOML-HNNXBMFYSA-N 0 0 411.458 4.260 20 5 HIBDRN CCc1nc2cc(CNC(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2n1C1CC1 ZINC000548952916 941133234 /nfs/dbraw/zinc/13/32/34/941133234.db2.gz ZEBXXTNSPPSKTR-UHFFFAOYSA-N 0 0 409.446 4.172 20 5 HIBDRN 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4.219 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000549392257 941185393 /nfs/dbraw/zinc/18/53/93/941185393.db2.gz UERFJZYYEVNLPB-UHFFFAOYSA-N 0 0 424.379 4.192 20 5 HIBDRN CC(C)([C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000549543408 941198886 /nfs/dbraw/zinc/19/88/86/941198886.db2.gz JISIJEJRMKQKQY-HXUWFJFHSA-N 0 0 405.445 4.284 20 5 HIBDRN O=C(c1ccc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1)N1CCC(O)CC1 ZINC000549689534 941204598 /nfs/dbraw/zinc/20/45/98/941204598.db2.gz PWARVYWOEFAISH-UHFFFAOYSA-N 0 0 421.453 4.064 20 5 HIBDRN O=[N+]([O-])c1ccc(OC[C@@H](O)COCc2ccccc2F)c(-c2cccs2)c1 ZINC000549782138 941207270 /nfs/dbraw/zinc/20/72/70/941207270.db2.gz FSALRKNYNFPWDD-INIZCTEOSA-N 0 0 403.431 4.419 20 5 HIBDRN O=[N+]([O-])c1cc(CNS(=O)(=O)Cc2ccc(C(F)F)cc2)cc(C(F)(F)F)c1 ZINC000549813770 941208226 /nfs/dbraw/zinc/20/82/26/941208226.db2.gz GNJVXWZAJSMQHH-UHFFFAOYSA-N 0 0 424.347 4.171 20 5 HIBDRN 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ZINC000550561593 941339446 /nfs/dbraw/zinc/33/94/46/941339446.db2.gz HJWFEGQJLXSOQR-GOSISDBHSA-N 0 0 419.275 4.052 20 5 HIBDRN Cc1cccc2oc(CCNC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)nc21 ZINC000550653682 941350513 /nfs/dbraw/zinc/35/05/13/941350513.db2.gz SXKAKQDPFDCOMY-UHFFFAOYSA-N 0 0 418.247 4.088 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccnc1)C(C)C ZINC000550661236 941351268 /nfs/dbraw/zinc/35/12/68/941351268.db2.gz UETIQGGLJDLTJN-INIZCTEOSA-N 0 0 406.280 4.230 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000550798978 941368643 /nfs/dbraw/zinc/36/86/43/941368643.db2.gz SUANEZHIXKPXKP-UHFFFAOYSA-N 0 0 401.875 4.273 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(COc4ccc(Cl)c(F)c4)n3)c2c1 ZINC000551031075 941398539 /nfs/dbraw/zinc/39/85/39/941398539.db2.gz ILACMAAJXUAWIU-UHFFFAOYSA-N 0 0 402.769 4.421 20 5 HIBDRN CC(C)c1[nH]nc(-c2nc(-c3cccc(OCc4ccccc4)n3)no2)c1[N+](=O)[O-] ZINC000551110937 941412047 /nfs/dbraw/zinc/41/20/47/941412047.db2.gz FFJGDYRBNRZHOI-UHFFFAOYSA-N 0 0 406.402 4.132 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000551164870 941420512 /nfs/dbraw/zinc/42/05/12/941420512.db2.gz KPNULSMWAOSFSI-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN O=C(NCCc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000551250317 941435420 /nfs/dbraw/zinc/43/54/20/941435420.db2.gz IRWBGVDACKCANQ-UHFFFAOYSA-N 0 0 413.299 4.061 20 5 HIBDRN Cc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc(C)n1 ZINC000551268673 941439891 /nfs/dbraw/zinc/43/98/91/941439891.db2.gz JEYUAZRSHSLZQY-UHFFFAOYSA-N 0 0 417.263 4.314 20 5 HIBDRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000551335779 941455042 /nfs/dbraw/zinc/45/50/42/941455042.db2.gz JOAVYCYBNUDQRE-QFYYESIMSA-N 0 0 418.247 4.204 20 5 HIBDRN Cc1nn(CCc2nc(C3(c4ccc(F)cc4)CCCCC3)no2)c(C)c1[N+](=O)[O-] ZINC000551429753 941477656 /nfs/dbraw/zinc/47/76/56/941477656.db2.gz OEGNUSKSBXBJJH-UHFFFAOYSA-N 0 0 413.453 4.423 20 5 HIBDRN Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551480696 941488079 /nfs/dbraw/zinc/48/80/79/941488079.db2.gz HFRKKSDRQWCJFY-UHFFFAOYSA-N 0 0 422.441 4.433 20 5 HIBDRN CCS[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000551493818 941489765 /nfs/dbraw/zinc/48/97/65/941489765.db2.gz USZVZHKSDRHFED-DZGCQCFKSA-N 0 0 407.536 4.011 20 5 HIBDRN CC[C@@H]1CCCC[C@H]1c1noc(-c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)n1 ZINC000551536178 941497112 /nfs/dbraw/zinc/49/71/12/941497112.db2.gz PJJXEVDEICYKSS-HUUCEWRRSA-N 0 0 409.446 4.183 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000551603987 941510151 /nfs/dbraw/zinc/51/01/51/941510151.db2.gz XTUUPAFMZCVUJM-LLVKDONJSA-N 0 0 414.270 4.095 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(c1ccccc1)[C@H]1CCOC1 ZINC000551655868 941520168 /nfs/dbraw/zinc/52/01/68/941520168.db2.gz LTIKQXOFXGXJHL-AWEZNQCLSA-N 0 0 405.248 4.101 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCC(F)(c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000551665670 941521584 /nfs/dbraw/zinc/52/15/84/941521584.db2.gz GENZQMCCEVYVNZ-UHFFFAOYSA-N 0 0 422.254 4.162 20 5 HIBDRN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000551667699 941521862 /nfs/dbraw/zinc/52/18/62/941521862.db2.gz GDPLWWLJFUVDLC-UHFFFAOYSA-N 0 0 404.488 4.327 20 5 HIBDRN C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC000551761576 941540276 /nfs/dbraw/zinc/54/02/76/941540276.db2.gz SSXAXDZGLPJGCJ-GFCCVEGCSA-N 0 0 414.849 4.453 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(F)(c2ccccn2)CC1 ZINC000551998401 941565189 /nfs/dbraw/zinc/56/51/89/941565189.db2.gz RTRFBGQGDSARBM-UHFFFAOYSA-N 0 0 415.468 4.037 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1c(O)cc(Br)cc1Cl ZINC000552022632 941569775 /nfs/dbraw/zinc/56/97/75/941569775.db2.gz ZEJOSNWENWAHJU-UHFFFAOYSA-N 0 0 414.643 4.157 20 5 HIBDRN Cn1ccnc1[C@@H](NCCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000552040506 941571953 /nfs/dbraw/zinc/57/19/53/941571953.db2.gz UICCNAWACWQRDN-FQEVSTJZSA-N 0 0 419.510 4.374 20 5 HIBDRN Cn1ccnc1[C@H](NCCc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000552043414 941572640 /nfs/dbraw/zinc/57/26/40/941572640.db2.gz LWDLVOFMCMGGQP-GOSISDBHSA-N 0 0 415.291 4.013 20 5 HIBDRN C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000552064098 941577683 /nfs/dbraw/zinc/57/76/83/941577683.db2.gz XJSTXDYETYBYPJ-LIRRHRJNSA-N 0 0 400.866 4.128 20 5 HIBDRN COc1cc(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc(OC)c1C ZINC000552064898 941577707 /nfs/dbraw/zinc/57/77/07/941577707.db2.gz XENHWIZQSHZZOJ-UHFFFAOYSA-N 0 0 412.389 4.185 20 5 HIBDRN CCOc1ccc([C@H](C)Nc2cc(F)c(N3CCOCC3)cc2F)cc1[N+](=O)[O-] ZINC000552087720 941582894 /nfs/dbraw/zinc/58/28/94/941582894.db2.gz OWQXUDBRKKBAAY-ZDUSSCGKSA-N 0 0 407.417 4.281 20 5 HIBDRN Cn1ccnc1[C@H](NCCn1ccc2cc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000552090666 941583271 /nfs/dbraw/zinc/58/32/71/941583271.db2.gz QHPGZRRJFXKASC-HXUWFJFHSA-N 0 0 409.877 4.316 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NCc2nc3ccccc3o2)cc1[N+](=O)[O-])c1ccccn1 ZINC000552150437 941594272 /nfs/dbraw/zinc/59/42/72/941594272.db2.gz DOHRIEQEWKSOEU-CQSZACIVSA-N 0 0 417.425 4.234 20 5 HIBDRN Cn1ccnc1[C@H](NCc1ccccc1OC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552224357 941607948 /nfs/dbraw/zinc/60/79/48/941607948.db2.gz UYJVUTOJBSTJPY-QGZVFWFLSA-N 0 0 406.364 4.106 20 5 HIBDRN Cc1cc(F)ccc1N1CCC[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552244155 941612817 /nfs/dbraw/zinc/61/28/17/941612817.db2.gz WEHVKCLPGLETHC-UGKGYDQZSA-N 0 0 423.492 4.124 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCCOc1ccccc1Br ZINC000552271311 941619223 /nfs/dbraw/zinc/61/92/23/941619223.db2.gz BTEHNBZKJYXJNN-UHFFFAOYSA-N 0 0 421.291 4.217 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000552271845 941619753 /nfs/dbraw/zinc/61/97/53/941619753.db2.gz VJNDEYDSBACAKG-QSFXBCCZSA-N 0 0 424.497 4.122 20 5 HIBDRN Cn1ccnc1[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000552289586 941623266 /nfs/dbraw/zinc/62/32/66/941623266.db2.gz CEFDBOYPUDCCGB-RTWAWAEBSA-N 0 0 408.458 4.088 20 5 HIBDRN Cn1ccnc1[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000552289584 941623587 /nfs/dbraw/zinc/62/35/87/941623587.db2.gz CEFDBOYPUDCCGB-LEWJYISDSA-N 0 0 408.458 4.088 20 5 HIBDRN C[C@H](NC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1cccc2ccccc21 ZINC000552299175 941626629 /nfs/dbraw/zinc/62/66/29/941626629.db2.gz URTKCPGSBOOAGU-INIZCTEOSA-N 0 0 400.438 4.489 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c(C)cc1Br ZINC000552411303 941662042 /nfs/dbraw/zinc/66/20/42/941662042.db2.gz UDPRBBZQQNPNKF-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000552491166 941686908 /nfs/dbraw/zinc/68/69/08/941686908.db2.gz FJWKUAXZUWNHHK-JTQLQIEISA-N 0 0 416.787 4.020 20 5 HIBDRN CCC1(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCOCC1 ZINC000552578695 941711721 /nfs/dbraw/zinc/71/17/21/941711721.db2.gz SMJHWIWMFCGBIB-INIZCTEOSA-N 0 0 412.490 4.100 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000552581684 941712703 /nfs/dbraw/zinc/71/27/03/941712703.db2.gz FCDWHKFNHWVHIC-HXUWFJFHSA-N 0 0 402.878 4.465 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000552581683 941712797 /nfs/dbraw/zinc/71/27/97/941712797.db2.gz FCDWHKFNHWVHIC-FQEVSTJZSA-N 0 0 402.878 4.465 20 5 HIBDRN CCc1nc(C)c(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)o1 ZINC000552620071 941725810 /nfs/dbraw/zinc/72/58/10/941725810.db2.gz IACKBEIXJWHUGI-UHFFFAOYSA-N 0 0 418.500 4.300 20 5 HIBDRN Cc1cc(F)ccc1C1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000552625705 941726613 /nfs/dbraw/zinc/72/66/13/941726613.db2.gz OLTKINFWAWOIEM-UHFFFAOYSA-N 0 0 409.417 4.316 20 5 HIBDRN COc1ccccc1O[C@H]1CCCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000552724045 941745700 /nfs/dbraw/zinc/74/57/00/941745700.db2.gz IEDKTJHZBORFTM-WBVHZDCISA-N 0 0 416.499 4.154 20 5 HIBDRN COc1ccccc1O[C@@H]1CCCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000552724043 941745800 /nfs/dbraw/zinc/74/58/00/941745800.db2.gz IEDKTJHZBORFTM-NVXWUHKLSA-N 0 0 416.499 4.154 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC=C(c4ccncc4)C3)cc2[N+](=O)[O-])C1 ZINC000552733092 941747837 /nfs/dbraw/zinc/74/78/37/941747837.db2.gz NVVGHHYPCKMKOU-ROUUACIJSA-N 0 0 420.513 4.402 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000552746938 941751215 /nfs/dbraw/zinc/75/12/15/941751215.db2.gz PGDOHXZCEICUFJ-UHFFFAOYSA-N 0 0 414.215 4.377 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000552841927 941785433 /nfs/dbraw/zinc/78/54/33/941785433.db2.gz LOICVILZBFUCFS-FOIQADDNSA-N 0 0 420.473 4.253 20 5 HIBDRN COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc2cccnc21 ZINC000552860534 941789767 /nfs/dbraw/zinc/78/97/67/941789767.db2.gz YCFZONKLLYIFJN-UHFFFAOYSA-N 0 0 416.231 4.095 20 5 HIBDRN CCn1c(Sc2ncnc3sc([N+](=O)[O-])cc32)nnc1-c1ccccc1OC ZINC000552925546 941804413 /nfs/dbraw/zinc/80/44/13/941804413.db2.gz YHBYIWSCZLBZDI-UHFFFAOYSA-N 0 0 414.472 4.038 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2NCc2ccc(OCCOc3ccccc3)nc2)s1 ZINC000552953552 941807426 /nfs/dbraw/zinc/80/74/26/941807426.db2.gz WIRCJCBJDQQSKN-UHFFFAOYSA-N 0 0 423.454 4.064 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000552971469 941810711 /nfs/dbraw/zinc/81/07/11/941810711.db2.gz YHSYTHSGPAYBFP-LBPRGKRZSA-N 0 0 407.455 4.849 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@H](c2ccccc2)c2ccccc2OC)c1[N+](=O)[O-] ZINC000553056760 941825362 /nfs/dbraw/zinc/82/53/62/941825362.db2.gz WGEXJHIGATUGKT-LJQANCHMSA-N 0 0 407.426 4.295 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)c1ccc(Br)cc1 ZINC000553087019 941830604 /nfs/dbraw/zinc/83/06/04/941830604.db2.gz ZLLFEBHVSWTPBF-UHFFFAOYSA-N 0 0 405.292 4.336 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC000553099706 941832692 /nfs/dbraw/zinc/83/26/92/941832692.db2.gz WDIRZEOJAZBCOM-OAHLLOKOSA-N 0 0 423.473 4.091 20 5 HIBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1c2ccc(Br)cc2[C@@H]2CCCC[C@@H]21 ZINC000553113695 941834864 /nfs/dbraw/zinc/83/48/64/941834864.db2.gz JPZBRHIQKYXVRH-WFASDCNBSA-N 0 0 417.263 4.021 20 5 HIBDRN O=c1[nH]c(N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000553147572 941840816 /nfs/dbraw/zinc/84/08/16/941840816.db2.gz GTTLUGYPBBKBBC-LBPRGKRZSA-N 0 0 421.240 4.208 20 5 HIBDRN COCCCOc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000553224634 941852367 /nfs/dbraw/zinc/85/23/67/941852367.db2.gz KEUHFVZHNHGBNM-UHFFFAOYSA-N 0 0 420.437 4.074 20 5 HIBDRN C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNc3ccc(Cl)cc3[N+](=O)[O-])c2)C1=O ZINC000553226144 941852824 /nfs/dbraw/zinc/85/28/24/941852824.db2.gz BFEDSOKVFSFIOS-FQEVSTJZSA-N 0 0 414.849 4.085 20 5 HIBDRN NC(=O)c1cccc(N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c1[N+](=O)[O-] ZINC000553241654 941855590 /nfs/dbraw/zinc/85/55/90/941855590.db2.gz NDKKRGQJABPPBV-GFCCVEGCSA-N 0 0 409.273 4.081 20 5 HIBDRN Cn1c(Sc2ncnc3sc([N+](=O)[O-])cc32)nnc1-c1ccc(Cl)cc1 ZINC000553241946 941855715 /nfs/dbraw/zinc/85/57/15/941855715.db2.gz BMCANCHRPCFLPA-UHFFFAOYSA-N 0 0 404.864 4.200 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(COCc3ccccc3)c2)n1 ZINC000553279774 941860073 /nfs/dbraw/zinc/86/00/73/941860073.db2.gz GOYCUQLFHRJANR-UHFFFAOYSA-N 0 0 407.426 4.105 20 5 HIBDRN CCSc1cccc(CNC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000553322420 941867156 /nfs/dbraw/zinc/86/71/56/941867156.db2.gz LKHUEYZXRIGNRJ-UHFFFAOYSA-N 0 0 406.529 4.265 20 5 HIBDRN C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 ZINC000553335167 941869458 /nfs/dbraw/zinc/86/94/58/941869458.db2.gz RJRFSTJNSGKGNL-YOEHRIQHSA-N 0 0 423.498 4.098 20 5 HIBDRN Cn1c(Sc2ncnc3sc([N+](=O)[O-])cc32)nnc1-c1cccc(Cl)c1 ZINC000553483118 941892786 /nfs/dbraw/zinc/89/27/86/941892786.db2.gz PQJVUXRLNBHJSK-UHFFFAOYSA-N 0 0 404.864 4.200 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CS(=O)(=O)c4ccccc43)o2)c(Cl)c1 ZINC000553581098 941913610 /nfs/dbraw/zinc/91/36/10/941913610.db2.gz MIMNXOYDEOFZBQ-KRWDZBQOSA-N 0 0 418.858 4.126 20 5 HIBDRN Cc1cc(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553598199 941917154 /nfs/dbraw/zinc/91/71/54/941917154.db2.gz AVXQCFJLXXVKCJ-FSSWDIPSSA-N 0 0 416.481 4.369 20 5 HIBDRN CC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(OC)c(OC)c1 ZINC000553598321 941918311 /nfs/dbraw/zinc/91/83/11/941918311.db2.gz HGXKYQDFJVHCPT-SFHVURJKSA-N 0 0 413.474 4.411 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000553607473 941919128 /nfs/dbraw/zinc/91/91/28/941919128.db2.gz MRIAQDOCFJPOEX-UHFFFAOYSA-N 0 0 403.364 4.145 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CSC[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000553676494 941942225 /nfs/dbraw/zinc/94/22/25/941942225.db2.gz JWUDEIILECFGOO-KDOFPFPSSA-N 0 0 421.544 4.176 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000553712571 941949624 /nfs/dbraw/zinc/94/96/24/941949624.db2.gz UFJZFLOTKXXOIH-AWEZNQCLSA-N 0 0 406.426 4.277 20 5 HIBDRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000553726875 941953851 /nfs/dbraw/zinc/95/38/51/941953851.db2.gz OVKIZCWLOFDPAV-KRWDZBQOSA-N 0 0 424.501 4.199 20 5 HIBDRN O=C(NCC1=CCCOC1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000553731692 941954989 /nfs/dbraw/zinc/95/49/89/941954989.db2.gz OWXCRNSJWQRXGH-UHFFFAOYSA-N 0 0 404.875 4.476 20 5 HIBDRN O=[N+]([O-])c1cc(CN[C@@H](CO)c2ccc(F)cc2)ccc1Oc1ccc(F)cc1 ZINC000553801457 941972600 /nfs/dbraw/zinc/97/26/00/941972600.db2.gz XESYOZNHTPPOPM-IBGZPJMESA-N 0 0 400.381 4.489 20 5 HIBDRN O=C1[C@H](Sc2ccc([N+](=O)[O-])cn2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000553935687 942002280 /nfs/dbraw/zinc/00/22/80/942002280.db2.gz JOBQQVHOEASQIM-OAHLLOKOSA-N 0 0 411.405 4.292 20 5 HIBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(-c2ccccc2)c1 ZINC000554027660 942022096 /nfs/dbraw/zinc/02/20/96/942022096.db2.gz FSBMBSZYNVSFOV-UHFFFAOYSA-N 0 0 409.829 4.284 20 5 HIBDRN CC(C)(NC(=O)CCCc1nc(-c2cccs2)no1)c1ccccc1[N+](=O)[O-] ZINC000554060263 942027589 /nfs/dbraw/zinc/02/75/89/942027589.db2.gz ATIUFTPLCSNCEF-UHFFFAOYSA-N 0 0 400.460 4.081 20 5 HIBDRN Cc1cc(-c2noc(CCC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])n2)ccc1F ZINC000554072357 942029655 /nfs/dbraw/zinc/02/96/55/942029655.db2.gz CQNBRKOZQLGJQJ-UHFFFAOYSA-N 0 0 412.421 4.076 20 5 HIBDRN O=C(CN1CCCC[C@H]1c1nnc(C2CCC2)o1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000554275761 942086981 /nfs/dbraw/zinc/08/69/81/942086981.db2.gz GPVQXGPWEOXGSH-HNNXBMFYSA-N 0 0 419.869 4.064 20 5 HIBDRN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000554303075 942095961 /nfs/dbraw/zinc/09/59/61/942095961.db2.gz NDYSRSYYYLWBRL-MOPGFXCFSA-N 0 0 408.458 4.323 20 5 HIBDRN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000554303077 942096511 /nfs/dbraw/zinc/09/65/11/942096511.db2.gz NDYSRSYYYLWBRL-RBUKOAKNSA-N 0 0 408.458 4.323 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000554338053 942107073 /nfs/dbraw/zinc/10/70/73/942107073.db2.gz KXNUJWPCTHZUKS-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000554408757 942130740 /nfs/dbraw/zinc/13/07/40/942130740.db2.gz GTJCARHCUAKKMA-KRWDZBQOSA-N 0 0 400.500 4.353 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](c2ccccc2)C1 ZINC000554410445 942131688 /nfs/dbraw/zinc/13/16/88/942131688.db2.gz WFIJOONEMXGSQU-MRXNPFEDSA-N 0 0 403.276 4.306 20 5 HIBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000554675683 942195343 /nfs/dbraw/zinc/19/53/43/942195343.db2.gz NRQNPJIXFZMMAT-SFHVURJKSA-N 0 0 405.248 4.138 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000554758680 942224251 /nfs/dbraw/zinc/22/42/51/942224251.db2.gz ZKNNMOUSAFKHRE-QGZVFWFLSA-N 0 0 424.354 4.361 20 5 HIBDRN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000554776462 942232418 /nfs/dbraw/zinc/23/24/18/942232418.db2.gz OGAVKWKORGHTRF-MOXGXCLJSA-N 0 0 400.500 4.398 20 5 HIBDRN CCOc1cc(C(=O)N(C)[C@H](CC)c2cccc(OC)c2)c([N+](=O)[O-])cc1OC ZINC000554794751 942242201 /nfs/dbraw/zinc/24/22/01/942242201.db2.gz GMBWHXBHTPDNRP-QGZVFWFLSA-N 0 0 402.447 4.234 20 5 HIBDRN COC(=O)c1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc1C(C)C ZINC000554809328 942252889 /nfs/dbraw/zinc/25/28/89/942252889.db2.gz LYFRXXQHLYJPPB-UHFFFAOYSA-N 0 0 405.457 4.428 20 5 HIBDRN CC(C)c1ccc(-c2nc(C3(C(=O)NCc4ccccc4F)CC3)no2)cc1[N+](=O)[O-] ZINC000554831900 942270180 /nfs/dbraw/zinc/27/01/80/942270180.db2.gz FIEDHRMIJWNUBB-UHFFFAOYSA-N 0 0 424.432 4.255 20 5 HIBDRN O=C(NC1(c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)CCCC1)c1ccccc1 ZINC000554833386 942271557 /nfs/dbraw/zinc/27/15/57/942271557.db2.gz RJFJGHKULKSRLJ-VAWYXSNFSA-N 0 0 404.426 4.348 20 5 HIBDRN Cc1ccccc1[C@H](c1noc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1)C(C)C ZINC000554845027 942283264 /nfs/dbraw/zinc/28/32/64/942283264.db2.gz ALKMLLWPVUJDQW-GOSISDBHSA-N 0 0 415.471 4.145 20 5 HIBDRN COCCO[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000554877916 942305153 /nfs/dbraw/zinc/30/51/53/942305153.db2.gz RRBYRXGTEUMCKU-FQEVSTJZSA-N 0 0 415.446 4.046 20 5 HIBDRN COc1cc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccc1Br ZINC000554885089 942307970 /nfs/dbraw/zinc/30/79/70/942307970.db2.gz KEMPKVSCTOLVBF-UHFFFAOYSA-N 0 0 408.252 4.072 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCCC2 ZINC000554946603 942328820 /nfs/dbraw/zinc/32/88/20/942328820.db2.gz SJLOMKRXQMSCNM-UHFFFAOYSA-N 0 0 417.487 4.446 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000554969229 942337768 /nfs/dbraw/zinc/33/77/68/942337768.db2.gz HZOUQUQIMYHLBS-IBGZPJMESA-N 0 0 422.441 4.411 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000555010559 942355428 /nfs/dbraw/zinc/35/54/28/942355428.db2.gz BAMUHIXZGXUKPN-UHFFFAOYSA-N 0 0 409.389 4.431 20 5 HIBDRN COc1cc(C)c(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OC ZINC000555064604 942374314 /nfs/dbraw/zinc/37/43/14/942374314.db2.gz IHWMHPCZPKORJR-UHFFFAOYSA-N 0 0 412.364 4.211 20 5 HIBDRN Cc1nc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[nH]c1C ZINC000555070367 942376269 /nfs/dbraw/zinc/37/62/69/942376269.db2.gz BETBOUWNDCAYKI-LLVKDONJSA-N 0 0 403.489 4.178 20 5 HIBDRN O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000555075993 942377806 /nfs/dbraw/zinc/37/78/06/942377806.db2.gz GKNSZEPBUAIHBX-HNNXBMFYSA-N 0 0 407.392 4.320 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000555089875 942382565 /nfs/dbraw/zinc/38/25/65/942382565.db2.gz ZNYGTZCJPLSESQ-UHFFFAOYSA-N 0 0 423.448 4.112 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC000555088943 942382603 /nfs/dbraw/zinc/38/26/03/942382603.db2.gz KWRRUJTWEFZOPW-UHFFFAOYSA-N 0 0 406.490 4.110 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2cc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000555141144 942400995 /nfs/dbraw/zinc/40/09/95/942400995.db2.gz CCJSUGJJNZAOQU-IBGZPJMESA-N 0 0 423.494 4.039 20 5 HIBDRN O=[N+]([O-])c1ccc(OC2CCN(c3nnc(C4CC4)n3Cc3ccccc3)CC2)cc1 ZINC000555154214 942407861 /nfs/dbraw/zinc/40/78/61/942407861.db2.gz WGNKZHHARODYBF-UHFFFAOYSA-N 0 0 419.485 4.160 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)C[C@H](C)S1 ZINC000555181037 942420521 /nfs/dbraw/zinc/42/05/21/942420521.db2.gz SNTSVNZZZKPCDO-IYBDPMFKSA-N 0 0 409.515 4.232 20 5 HIBDRN O=C(Nc1ccc(Oc2cccc(F)c2)c(Br)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000555319815 942475150 /nfs/dbraw/zinc/47/51/50/942475150.db2.gz ZJRGIAMUTRXIHO-UHFFFAOYSA-N 0 0 421.182 4.264 20 5 HIBDRN Cc1nccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1F ZINC000555475017 942577078 /nfs/dbraw/zinc/57/70/78/942577078.db2.gz JYWFXSLFBDFOLY-UHFFFAOYSA-N 0 0 422.338 4.177 20 5 HIBDRN CC(C)(C)[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)C1 ZINC000555486233 942588063 /nfs/dbraw/zinc/58/80/63/942588063.db2.gz DHXSFKYKLZSHGJ-AEFFLSMTSA-N 0 0 413.522 4.152 20 5 HIBDRN CC(C)C1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCCO2)CC1 ZINC000555490930 942592949 /nfs/dbraw/zinc/59/29/49/942592949.db2.gz HNJIXGNYRMIHPH-FQEVSTJZSA-N 0 0 413.522 4.295 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OC[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000555564368 942645214 /nfs/dbraw/zinc/64/52/14/942645214.db2.gz HECQBXPPNASDPA-QPPBQGQZSA-N 0 0 423.465 4.458 20 5 HIBDRN Cc1c(Cl)c(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)nc2ccccc12 ZINC000555742019 942718019 /nfs/dbraw/zinc/71/80/19/942718019.db2.gz IGHASECZRGVKRH-UHFFFAOYSA-N 0 0 424.888 4.063 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cncnc2)cc1 ZINC000555887005 942766151 /nfs/dbraw/zinc/76/61/51/942766151.db2.gz FFNOVQRQDQDLBL-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN COC(=O)c1cc(C)nc(N2CCC(c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] ZINC000555901360 942768568 /nfs/dbraw/zinc/76/85/68/942768568.db2.gz VFBXTTKIGNPSBQ-UHFFFAOYSA-N 0 0 412.471 4.079 20 5 HIBDRN COc1cc(Cc2noc([C@H](C)CSc3ccccc3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000556015905 942785774 /nfs/dbraw/zinc/78/57/74/942785774.db2.gz BXUWYDQULNZWBJ-CYBMUJFWSA-N 0 0 415.471 4.482 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000556296376 942835174 /nfs/dbraw/zinc/83/51/74/942835174.db2.gz CYKGGIWLDORHNU-LBPRGKRZSA-N 0 0 414.805 4.237 20 5 HIBDRN COc1ccc(Cn2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cn2)cc1 ZINC000556305444 942837215 /nfs/dbraw/zinc/83/72/15/942837215.db2.gz NSXRLIWLBYMYDK-UHFFFAOYSA-N 0 0 401.810 4.146 20 5 HIBDRN CCOC(=O)c1c(C)c2ccccc2nc1COc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000556339766 942845236 /nfs/dbraw/zinc/84/52/36/942845236.db2.gz CSCHYFKFHJHRRF-UHFFFAOYSA-N 0 0 408.410 4.410 20 5 HIBDRN C[C@H](NS(=O)(=O)c1cccc(Br)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000556378721 942852430 /nfs/dbraw/zinc/85/24/30/942852430.db2.gz DSOODHIVWSSFQH-VIFPVBQESA-N 0 0 419.684 4.050 20 5 HIBDRN CCOc1cc(C(=O)Nc2c(C)cnc3c(OC)cccc32)c([N+](=O)[O-])cc1OC ZINC000556434504 942865949 /nfs/dbraw/zinc/86/59/49/942865949.db2.gz UHWLDCWJNJXUPD-UHFFFAOYSA-N 0 0 411.414 4.120 20 5 HIBDRN O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000556480886 942881078 /nfs/dbraw/zinc/88/10/78/942881078.db2.gz BPINLZIGZCLEEX-UHFFFAOYSA-N 0 0 417.830 4.030 20 5 HIBDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000556521969 942891318 /nfs/dbraw/zinc/89/13/18/942891318.db2.gz VSFBSJDMWWJTRZ-JCNLHEQBSA-N 0 0 409.486 4.202 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000556559875 942898694 /nfs/dbraw/zinc/89/86/94/942898694.db2.gz BMOBXSRDMPCMKK-PKOBYXMFSA-N 0 0 409.486 4.283 20 5 HIBDRN COC(=O)c1ccc(CNCc2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 ZINC000556599299 942911277 /nfs/dbraw/zinc/91/12/77/942911277.db2.gz ZUKZPECBODHTNM-UHFFFAOYSA-N 0 0 413.655 4.087 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1F ZINC000556638451 942923485 /nfs/dbraw/zinc/92/34/85/942923485.db2.gz MYQBTHUYGYFQBG-ZDUSSCGKSA-N 0 0 412.421 4.247 20 5 HIBDRN COc1ccc(C[C@H](C)CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1OC ZINC000556639282 942924013 /nfs/dbraw/zinc/92/40/13/942924013.db2.gz KUTRJKVXVSSURO-ZDUSSCGKSA-N 0 0 401.463 4.229 20 5 HIBDRN CC(C)CC(=O)Nc1cccc(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000556870800 942945816 /nfs/dbraw/zinc/94/58/16/942945816.db2.gz ILDFEGPRAVCQLA-JOCHJYFZSA-N 0 0 421.501 4.192 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](c4ccncc4)C3)cc2[N+](=O)[O-])C1 ZINC000556873360 942946733 /nfs/dbraw/zinc/94/67/33/942946733.db2.gz VWHDHQLYULDLQG-XLIONFOSSA-N 0 0 408.502 4.246 20 5 HIBDRN Cn1ccnc1[C@@H](NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000556891241 942954291 /nfs/dbraw/zinc/95/42/91/942954291.db2.gz COWNQBBRSYRKMT-ROUUACIJSA-N 0 0 404.392 4.353 20 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ZINC000557280281 943066118 /nfs/dbraw/zinc/06/61/18/943066118.db2.gz ROJJIBLEYQHEMK-AWEZNQCLSA-N 0 0 416.503 4.233 20 5 HIBDRN COc1cc(CN(c2ncnc3sc([N+](=O)[O-])cc32)C2CC2)ccc1OC(F)F ZINC000557475207 943153713 /nfs/dbraw/zinc/15/37/13/943153713.db2.gz FIOAJWPYSSXDAE-UHFFFAOYSA-N 0 0 422.413 4.379 20 5 HIBDRN COCCn1c2ccc(Cl)cc2nc1Sc1ncnc2sc([N+](=O)[O-])cc21 ZINC000557478035 943155725 /nfs/dbraw/zinc/15/57/25/943155725.db2.gz IXVZETLWCWHCJL-UHFFFAOYSA-N 0 0 421.891 4.400 20 5 HIBDRN CCOC(=O)C(C)(C)c1csc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000557497184 943168389 /nfs/dbraw/zinc/16/83/89/943168389.db2.gz ZGHPEWRUSSWYAM-UHFFFAOYSA-N 0 0 419.503 4.442 20 5 HIBDRN COC1(C)CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000557571013 943214160 /nfs/dbraw/zinc/21/41/60/943214160.db2.gz HUGALFAMGHOKFZ-IBGZPJMESA-N 0 0 417.893 4.429 20 5 HIBDRN COC(=O)c1cc(C)nc(N2CC=C(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000557625787 943236290 /nfs/dbraw/zinc/23/62/90/943236290.db2.gz 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ZINC000569910211 947043698 /nfs/dbraw/zinc/04/36/98/947043698.db2.gz BBKKIEJYQZAEGF-HYBUGGRVSA-N 0 0 423.465 4.458 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc(CC(F)(F)F)cs1 ZINC000569961079 947053729 /nfs/dbraw/zinc/05/37/29/947053729.db2.gz ZAWHNHZLRFUTHH-UHFFFAOYSA-N 0 0 417.412 4.355 20 5 HIBDRN C[C@H](C(=O)NCc1ccc(-n2cnc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 ZINC000570018673 947076699 /nfs/dbraw/zinc/07/66/99/947076699.db2.gz PYILVSUCXQRUCE-INIZCTEOSA-N 0 0 400.438 4.354 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 ZINC000570084540 947090877 /nfs/dbraw/zinc/09/08/77/947090877.db2.gz JIRGYLVHJUMDFP-UHFFFAOYSA-N 0 0 424.375 4.499 20 5 HIBDRN COC(=O)C(C)(C)c1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 ZINC000570204679 947142165 /nfs/dbraw/zinc/14/21/65/947142165.db2.gz TVHBILMBYFEROG-UHFFFAOYSA-N 0 0 410.348 4.317 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000570245313 947163890 /nfs/dbraw/zinc/16/38/90/947163890.db2.gz 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ZINC000571716600 947758695 /nfs/dbraw/zinc/75/86/95/947758695.db2.gz BFOVRXOCHVCDSJ-UHFFFAOYSA-N 0 0 404.220 4.392 20 5 HIBDRN O=c1[nH]cnc2cc(N[C@H]3CSc4ccc(Br)cc43)c([N+](=O)[O-])cc12 ZINC000571735329 947771345 /nfs/dbraw/zinc/77/13/45/947771345.db2.gz LUXHKWJKSGHRRB-ZDUSSCGKSA-N 0 0 419.260 4.265 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(CC(F)(F)F)CC1 ZINC000571783233 947781526 /nfs/dbraw/zinc/78/15/26/947781526.db2.gz BVVKJEPMDSRREE-UHFFFAOYSA-N 0 0 409.202 4.091 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(F)c1 ZINC000571795897 947786083 /nfs/dbraw/zinc/78/60/83/947786083.db2.gz BAUPOBWKQQYRHD-UHFFFAOYSA-N 0 0 400.410 4.367 20 5 HIBDRN COc1ccc2c(C)cc3nnc(Sc4ncnc5sc([N+](=O)[O-])cc54)n3c2c1 ZINC000571868838 947806373 /nfs/dbraw/zinc/80/63/73/947806373.db2.gz XEWDDEMJCUKAPP-UHFFFAOYSA-N 0 0 424.467 4.264 20 5 HIBDRN C[C@H](C(=O)NCC1(c2ccccc2Br)CC1)c1cccc([N+](=O)[O-])c1 ZINC000571941978 947817359 /nfs/dbraw/zinc/81/73/59/947817359.db2.gz GRZQAJSPYRABNX-ZDUSSCGKSA-N 0 0 403.276 4.309 20 5 HIBDRN CCOc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)ccc1OC ZINC000571943744 947817812 /nfs/dbraw/zinc/81/78/12/947817812.db2.gz DNLRJVXVMWAQNN-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN O=C(CCc1nc(-c2ccsc2)no1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000571945781 947818956 /nfs/dbraw/zinc/81/89/56/947818956.db2.gz RHQADJWMTRPGKG-UHFFFAOYSA-N 0 0 423.248 4.040 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC[C@H]1c1ncon1 ZINC000572049641 947833347 /nfs/dbraw/zinc/83/33/47/947833347.db2.gz SLEUUFYEOIQXLN-HNNXBMFYSA-N 0 0 414.805 4.401 20 5 HIBDRN COCCN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](C)c1ccccc1 ZINC000572214300 947867116 /nfs/dbraw/zinc/86/71/16/947867116.db2.gz ZODMMGDRWLNEGQ-MRXNPFEDSA-N 0 0 410.474 4.038 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000572390122 947893094 /nfs/dbraw/zinc/89/30/94/947893094.db2.gz YLVPGCHCFMRCMJ-IBGZPJMESA-N 0 0 408.376 4.054 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000572471021 947914650 /nfs/dbraw/zinc/91/46/50/947914650.db2.gz AKECXFRJUVDJDF-QGZVFWFLSA-N 0 0 410.348 4.016 20 5 HIBDRN CCCc1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cnn1-c1ccccc1C ZINC000572674131 947977067 /nfs/dbraw/zinc/97/70/67/947977067.db2.gz JUIRVPAEDCKOPB-UHFFFAOYSA-N 0 0 408.414 4.022 20 5 HIBDRN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000572783755 948008797 /nfs/dbraw/zinc/00/87/97/948008797.db2.gz AZKWVVQVCQYZHZ-UHFFFAOYSA-N 0 0 407.348 4.102 20 5 HIBDRN O=C(NCc1nc2cc(F)ccc2o1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000572804064 948015873 /nfs/dbraw/zinc/01/58/73/948015873.db2.gz OZQHVALGXJCESE-UHFFFAOYSA-N 0 0 423.350 4.170 20 5 HIBDRN CCOc1cc(N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)ccc1[N+](=O)[O-] ZINC000572902513 948033353 /nfs/dbraw/zinc/03/33/53/948033353.db2.gz GCGBFNXAEIBFSJ-KBXCAEBGSA-N 0 0 401.438 4.297 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1OCC(F)F ZINC000572984311 948051754 /nfs/dbraw/zinc/05/17/54/948051754.db2.gz ZRDLUZCJABOMRZ-UHFFFAOYSA-N 0 0 400.765 4.300 20 5 HIBDRN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000573011625 948057085 /nfs/dbraw/zinc/05/70/85/948057085.db2.gz GCCOBJJYLILPRK-IAGOWNOFSA-N 0 0 405.248 4.007 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000573041356 948067533 /nfs/dbraw/zinc/06/75/33/948067533.db2.gz JVSSOSSASXOWRN-JKSUJKDBSA-N 0 0 415.450 4.205 20 5 HIBDRN Cc1ccc(F)c(-c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 ZINC000573044351 948068264 /nfs/dbraw/zinc/06/82/64/948068264.db2.gz XDSIQXAZKGPMAW-GOSISDBHSA-N 0 0 410.405 4.378 20 5 HIBDRN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 ZINC000573139962 948085748 /nfs/dbraw/zinc/08/57/48/948085748.db2.gz UCRIHJPQOJHZDF-WDEREUQCSA-N 0 0 416.425 4.446 20 5 HIBDRN CC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 ZINC000573139959 948086041 /nfs/dbraw/zinc/08/60/41/948086041.db2.gz UCRIHJPQOJHZDF-GHMZBOCLSA-N 0 0 416.425 4.446 20 5 HIBDRN O=[N+]([O-])c1cccc(Oc2ccc(-c3noc([C@@H]4OC[C@H]5COCC[C@@H]54)n3)cc2)c1 ZINC000573292011 948148413 /nfs/dbraw/zinc/14/84/13/948148413.db2.gz KOQCHLDXJKKZQN-MDASCCDHSA-N 0 0 409.398 4.161 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cnc(-c2ccccc2)nc1 ZINC000573313615 948155540 /nfs/dbraw/zinc/15/55/40/948155540.db2.gz YZDPTPYMLABURE-UHFFFAOYSA-N 0 0 402.332 4.001 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000573355417 948164627 /nfs/dbraw/zinc/16/46/27/948164627.db2.gz AKHBWCHACLZPPG-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN COc1ccc(CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C2CC2)cc1 ZINC000573380716 948174938 /nfs/dbraw/zinc/17/49/38/948174938.db2.gz JCQVXXBJJRSMEK-UHFFFAOYSA-N 0 0 408.458 4.001 20 5 HIBDRN Cc1cc(Cc2noc(-c3cnn(-c4ccncc4)c3C(F)F)n2)ccc1[N+](=O)[O-] ZINC000573644161 948264250 /nfs/dbraw/zinc/26/42/50/948264250.db2.gz 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402.838 4.102 20 5 HIBDRN COc1cccc(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] ZINC000436003655 861290652 /nfs/dbraw/zinc/29/06/52/861290652.db2.gz BGOAOGXGMCSHRJ-UHFFFAOYSA-N 0 0 412.339 4.223 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c1 ZINC000436004893 861292373 /nfs/dbraw/zinc/29/23/73/861292373.db2.gz KNMPWXGDRSYLPX-HAQNSBGRSA-N 0 0 423.238 4.181 20 5 HIBDRN COc1cccc(C(=O)NCCc2cccc(OCc3ccccc3)c2)c1[N+](=O)[O-] ZINC000436021149 861313588 /nfs/dbraw/zinc/31/35/88/861313588.db2.gz MXNQIRZNDGDBSK-UHFFFAOYSA-N 0 0 406.438 4.155 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000436027433 861320828 /nfs/dbraw/zinc/32/08/28/861320828.db2.gz AGVSRWIKONNZAH-UHFFFAOYSA-N 0 0 424.284 4.295 20 5 HIBDRN O=C(Nc1cccc(-n2ccnc2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436061381 861344728 /nfs/dbraw/zinc/34/47/28/861344728.db2.gz BILDAXDOSSTXQO-UHFFFAOYSA-N 0 0 416.387 4.398 20 5 HIBDRN O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436074248 861353780 /nfs/dbraw/zinc/35/37/80/861353780.db2.gz JPRLZBUIOXPRHF-UHFFFAOYSA-N 0 0 411.461 4.056 20 5 HIBDRN C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1cccc([N+](=O)[O-])c1 ZINC000436075879 861355655 /nfs/dbraw/zinc/35/56/55/861355655.db2.gz OGJGZCWOCGEKFZ-LBPRGKRZSA-N 0 0 405.385 4.220 20 5 HIBDRN CC(C)COC1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000436078809 861358458 /nfs/dbraw/zinc/35/84/58/861358458.db2.gz YQPJWNSVDQLBBA-UHFFFAOYSA-N 0 0 414.452 4.237 20 5 HIBDRN COCc1ccccc1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436084612 861363995 /nfs/dbraw/zinc/36/39/95/861363995.db2.gz RFOFQHXIWXNSKR-UHFFFAOYSA-N 0 0 408.404 4.036 20 5 HIBDRN O=C(Nc1ccc(-n2cccn2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436085891 861365212 /nfs/dbraw/zinc/36/52/12/861365212.db2.gz VSASAXPMARXJKR-UHFFFAOYSA-N 0 0 416.387 4.398 20 5 HIBDRN CCOc1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1OC ZINC000436089660 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C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)Nc1c(F)cccc1F ZINC000018456685 846327313 /nfs/dbraw/zinc/32/73/13/846327313.db2.gz LPMQNUNTRCJCTE-LLVKDONJSA-N 0 0 406.385 4.355 20 5 HIBDRN CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000018456727 846327435 /nfs/dbraw/zinc/32/74/35/846327435.db2.gz JFIZDFOYDWNAGR-CQSZACIVSA-N 0 0 412.442 4.279 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(F)cc3)c[nH]2)c([N+](=O)[O-])c1 ZINC000018457930 846327629 /nfs/dbraw/zinc/32/76/29/846327629.db2.gz GLOAXOQFHKQAMN-NSHDSACASA-N 0 0 416.434 4.252 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000018941783 846347133 /nfs/dbraw/zinc/34/71/33/846347133.db2.gz UGEHGWGTSUJACU-AWEZNQCLSA-N 0 0 410.499 4.411 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000019284846 846360660 /nfs/dbraw/zinc/36/06/60/846360660.db2.gz YXEMOZUCTKEPKN-ZDUSSCGKSA-N 0 0 400.431 4.085 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1OC ZINC000019358289 846364233 /nfs/dbraw/zinc/36/42/33/846364233.db2.gz WIEXITXAJRVISR-UHFFFAOYSA-N 0 0 424.457 4.331 20 5 HIBDRN CCOc1cc(C(=O)OCC(=O)c2cccc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000019473089 846365644 /nfs/dbraw/zinc/36/56/44/846365644.db2.gz IADUMCJKUFJGDM-UHFFFAOYSA-N 0 0 409.394 4.195 20 5 HIBDRN C[C@@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000019617251 846368954 /nfs/dbraw/zinc/36/89/54/846368954.db2.gz DHKGJAHYMQBRRT-LLVKDONJSA-N 0 0 415.402 4.041 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cccc4cccnc43)cc2)c(C)c1[N+](=O)[O-] ZINC000020012554 846375295 /nfs/dbraw/zinc/37/52/95/846375295.db2.gz FMNXKKMAVADPBC-UHFFFAOYSA-N 0 0 401.426 4.257 20 5 HIBDRN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000020461508 846385363 /nfs/dbraw/zinc/38/53/63/846385363.db2.gz NYXRIQHBWTZDAD-UHFFFAOYSA-N 0 0 416.411 4.354 20 5 HIBDRN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000020676518 846387851 /nfs/dbraw/zinc/38/78/51/846387851.db2.gz CVEDUVQOBHGPEY-UHFFFAOYSA-N 0 0 417.830 4.395 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000020889003 846393212 /nfs/dbraw/zinc/39/32/12/846393212.db2.gz YNIUNUPSPRICGC-UHFFFAOYSA-N 0 0 407.426 4.059 20 5 HIBDRN O=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1Cc1ccc2c(c1)OCO2 ZINC000020926219 846395902 /nfs/dbraw/zinc/39/59/02/846395902.db2.gz HOJPPIHQBUSLLL-OAQYLSRUSA-N 0 0 403.394 4.090 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000021188443 846414830 /nfs/dbraw/zinc/41/48/30/846414830.db2.gz NXXZERRTAAHRBB-LJQANCHMSA-N 0 0 402.859 4.316 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000021346240 846432866 /nfs/dbraw/zinc/43/28/66/846432866.db2.gz RLBMSIUSDUHFOB-MRVPVSSYSA-N 0 0 418.274 4.076 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000436353191 861676227 /nfs/dbraw/zinc/67/62/27/861676227.db2.gz LGGWHCSJIRGWGG-UHFFFAOYSA-N 0 0 411.315 4.242 20 5 HIBDRN CC[C@@H](NC(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000021740548 846489435 /nfs/dbraw/zinc/48/94/35/846489435.db2.gz POUHMBAVAJVQME-QGZVFWFLSA-N 0 0 422.890 4.151 20 5 HIBDRN C[C@H](OC(=O)CSc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000022015296 846520484 /nfs/dbraw/zinc/52/04/84/846520484.db2.gz VPGHZUGPAKKCFU-JTQLQIEISA-N 0 0 412.826 4.050 20 5 HIBDRN O=C(COC(=O)CSc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000022040269 846524312 /nfs/dbraw/zinc/52/43/12/846524312.db2.gz HDFJYOFPZIVPMH-UHFFFAOYSA-N 0 0 415.254 4.176 20 5 HIBDRN CCSc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000022041973 846524379 /nfs/dbraw/zinc/52/43/79/846524379.db2.gz SCWJJLUZFLXKMX-SSDOTTSWSA-N 0 0 404.926 4.331 20 5 HIBDRN CCOc1ccc(-c2nc(COC(=O)c3ccccc3[N+](=O)[O-])cs2)cc1OC ZINC000022139284 846535715 /nfs/dbraw/zinc/53/57/15/846535715.db2.gz BCZOHKZMRFAXOK-UHFFFAOYSA-N 0 0 414.439 4.483 20 5 HIBDRN CCOc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])cc3)cs2)cc1OC ZINC000022139546 846536096 /nfs/dbraw/zinc/53/60/96/846536096.db2.gz VTKFQQSRPNSQFK-UHFFFAOYSA-N 0 0 414.439 4.483 20 5 HIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000022162444 846538727 /nfs/dbraw/zinc/53/87/27/846538727.db2.gz VPKINVCUTGGKKC-GXTWGEPZSA-N 0 0 420.512 4.287 20 5 HIBDRN C[C@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000022171759 846540760 /nfs/dbraw/zinc/54/07/60/846540760.db2.gz FMPFUSANPCAFMH-JTQLQIEISA-N 0 0 419.463 4.448 20 5 HIBDRN Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C ZINC000022183761 846541732 /nfs/dbraw/zinc/54/17/32/846541732.db2.gz BXWFVJHKDHISQR-LBPRGKRZSA-N 0 0 421.247 4.158 20 5 HIBDRN Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2C)cc1 ZINC000022359727 846561539 /nfs/dbraw/zinc/56/15/39/846561539.db2.gz UYTMLEDULBYGOZ-CQSZACIVSA-N 0 0 411.487 4.126 20 5 HIBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000022418657 846568415 /nfs/dbraw/zinc/56/84/15/846568415.db2.gz ZKGIOYALSNLGQP-UHFFFAOYSA-N 0 0 402.403 4.435 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000022469701 846575561 /nfs/dbraw/zinc/57/55/61/846575561.db2.gz KHRNAGDHUCWLDZ-SMDDNHRTSA-N 0 0 408.863 4.219 20 5 HIBDRN CCNc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000022486483 846577122 /nfs/dbraw/zinc/57/71/22/846577122.db2.gz ROFZROBLVBLSCQ-ZDUSSCGKSA-N 0 0 419.865 4.481 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022527275 846582702 /nfs/dbraw/zinc/58/27/02/846582702.db2.gz GQZZWUWLNXEYKA-JOABDTNPSA-N 0 0 414.461 4.387 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 ZINC000022669245 846599815 /nfs/dbraw/zinc/59/98/15/846599815.db2.gz YDYISTNAWYWUPV-RYUDHWBXSA-N 0 0 416.817 4.417 20 5 HIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCC[C@H]1c1cccs1 ZINC000022795122 846621597 /nfs/dbraw/zinc/62/15/97/846621597.db2.gz WSSWDXCHRXHUPT-ABAIWWIYSA-N 0 0 408.863 4.219 20 5 HIBDRN CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000022833800 846627508 /nfs/dbraw/zinc/62/75/08/846627508.db2.gz QOQMVRLHVURZJX-CQSZACIVSA-N 0 0 422.393 4.241 20 5 HIBDRN Cc1cc(C(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2C)c(C)n1Cc1ccco1 ZINC000022836451 846627579 /nfs/dbraw/zinc/62/75/79/846627579.db2.gz AAXGNZYLOCEAIT-MRXNPFEDSA-N 0 0 410.426 4.391 20 5 HIBDRN O=C(/C=C/c1ccccc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000022924161 846637828 /nfs/dbraw/zinc/63/78/28/846637828.db2.gz LLCKXIIFFGXXFA-VMPITWQZSA-N 0 0 423.366 4.115 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000022924054 846637854 /nfs/dbraw/zinc/63/78/54/846637854.db2.gz FIJMTXFZCOARBY-UHFFFAOYSA-N 0 0 420.263 4.092 20 5 HIBDRN O=C(NCc1coc(-c2cccs2)n1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000023195079 846666840 /nfs/dbraw/zinc/66/68/40/846666840.db2.gz WVRAARCJYMCWFG-UHFFFAOYSA-N 0 0 412.471 4.232 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000023384595 846692522 /nfs/dbraw/zinc/69/25/22/846692522.db2.gz PIEVYEYGYVMCJN-YWZLYKJASA-N 0 0 400.500 4.048 20 5 HIBDRN C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000023443950 846702857 /nfs/dbraw/zinc/70/28/57/846702857.db2.gz FVNLCRNJQIYZIX-VIFPVBQESA-N 0 0 416.739 4.451 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000023504172 846710796 /nfs/dbraw/zinc/71/07/96/846710796.db2.gz FIUBUXUTJKDGQX-AWEZNQCLSA-N 0 0 423.498 4.481 20 5 HIBDRN Cc1cccc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] ZINC000023695336 846741160 /nfs/dbraw/zinc/74/11/60/846741160.db2.gz ZCDPIKBCENKIKS-HNNXBMFYSA-N 0 0 410.499 4.032 20 5 HIBDRN COC(=O)c1cc(C(=O)OCc2csc(-c3ccc(F)cc3)n2)cc([N+](=O)[O-])c1 ZINC000023953147 846762155 /nfs/dbraw/zinc/76/21/55/846762155.db2.gz IVPXBAMTFNKLTB-UHFFFAOYSA-N 0 0 416.386 4.001 20 5 HIBDRN Cc1c(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000024248663 846806515 /nfs/dbraw/zinc/80/65/15/846806515.db2.gz FMGGKXVOJXLUHD-CQSZACIVSA-N 0 0 407.835 4.432 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc([N+](=O)[O-])c1 ZINC000024585156 846842485 /nfs/dbraw/zinc/84/24/85/846842485.db2.gz MUWLSNUTKSQPNS-CYBMUJFWSA-N 0 0 400.456 4.303 20 5 HIBDRN O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000024675465 846853058 /nfs/dbraw/zinc/85/30/58/846853058.db2.gz VCNBISXUQBPNMW-UHFFFAOYSA-N 0 0 424.269 4.213 20 5 HIBDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000024720794 846858711 /nfs/dbraw/zinc/85/87/11/846858711.db2.gz GQCVLFREDHEPPG-UHFFFAOYSA-N 0 0 417.878 4.177 20 5 HIBDRN O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1Cl ZINC000024780540 846865955 /nfs/dbraw/zinc/86/59/55/846865955.db2.gz QOYPFUZNLHKDFA-UHFFFAOYSA-N 0 0 415.254 4.176 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000024997913 846901643 /nfs/dbraw/zinc/90/16/43/846901643.db2.gz SGJDUEDNHWWZPO-CHWSQXEVSA-N 0 0 406.435 4.093 20 5 HIBDRN CCc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000024997929 846902302 /nfs/dbraw/zinc/90/23/02/846902302.db2.gz LDEJVPBDUMZJJL-KGLIPLIRSA-N 0 0 402.472 4.208 20 5 HIBDRN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000024997947 846902337 /nfs/dbraw/zinc/90/23/37/846902337.db2.gz OPJSVYMUUPJLNL-ARFHVFGLSA-N 0 0 416.499 4.193 20 5 HIBDRN CCCNc1nnc(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 ZINC000025054555 846914006 /nfs/dbraw/zinc/91/40/06/846914006.db2.gz WBXKWCQMIVJJRA-UHFFFAOYSA-N 0 0 406.436 4.171 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000025091127 846923588 /nfs/dbraw/zinc/92/35/88/846923588.db2.gz ZSGKRQBFVWHNQD-HUUCEWRRSA-N 0 0 417.535 4.209 20 5 HIBDRN Cn1cc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cn1 ZINC000025311096 846957533 /nfs/dbraw/zinc/95/75/33/846957533.db2.gz HTGSAPZUNTXINP-UHFFFAOYSA-N 0 0 411.468 4.342 20 5 HIBDRN O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000025423434 846975663 /nfs/dbraw/zinc/97/56/63/846975663.db2.gz TXSMFCWAPBVUSA-CQSZACIVSA-N 0 0 410.293 4.194 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025528834 846993732 /nfs/dbraw/zinc/99/37/32/846993732.db2.gz ZCDHAUWMSAXGDU-UHFFFAOYSA-N 0 0 422.460 4.017 20 5 HIBDRN COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000025552178 846999878 /nfs/dbraw/zinc/99/98/78/846999878.db2.gz IMLQCTNGIXYMRZ-AWEZNQCLSA-N 0 0 412.471 4.217 20 5 HIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000025765938 847033503 /nfs/dbraw/zinc/03/35/03/847033503.db2.gz SZQDCXLTWBFGEJ-UHFFFAOYSA-N 0 0 410.474 4.432 20 5 HIBDRN COc1ccc(OC)c(CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000025806764 847040085 /nfs/dbraw/zinc/04/00/85/847040085.db2.gz WELAUSFTNDNAJW-AWEZNQCLSA-N 0 0 416.499 4.284 20 5 HIBDRN C[C@H](OCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000025968168 847064805 /nfs/dbraw/zinc/06/48/05/847064805.db2.gz ZHQVFZVOXLFWOT-SFHVURJKSA-N 0 0 411.502 4.095 20 5 HIBDRN COc1ccc(NC(=O)[C@H](OC(=O)c2c(C)cccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000026122478 847091710 /nfs/dbraw/zinc/09/17/10/847091710.db2.gz YYBFXLBZBUVWDN-OAQYLSRUSA-N 0 0 420.421 4.449 20 5 HIBDRN Cc1c2cc(F)ccc2oc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000026358351 847132209 /nfs/dbraw/zinc/13/22/09/847132209.db2.gz HBEGVCMIXJBGPO-GFCCVEGCSA-N 0 0 400.362 4.281 20 5 HIBDRN CC(C)[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000026383435 847137441 /nfs/dbraw/zinc/13/74/41/847137441.db2.gz NHFZXRQQCMNTOA-VLIAUNLRSA-N 0 0 416.499 4.360 20 5 HIBDRN O=C(CCSc1nnc(Nc2cccc(F)c2)s1)Nc1ccccc1[N+](=O)[O-] ZINC000026409496 847140823 /nfs/dbraw/zinc/14/08/23/847140823.db2.gz RVRAEVCQBWEOFG-UHFFFAOYSA-N 0 0 419.463 4.450 20 5 HIBDRN Cc1ccccc1CNC(=O)[C@@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C ZINC000026580930 847172149 /nfs/dbraw/zinc/17/21/49/847172149.db2.gz IFSZOHQSFCEIRH-MRXNPFEDSA-N 0 0 417.534 4.192 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C2CC2)cccc1[N+](=O)[O-] ZINC000026829395 847203850 /nfs/dbraw/zinc/20/38/50/847203850.db2.gz BDNBSWQLMBGKDG-CYBMUJFWSA-N 0 0 424.486 4.011 20 5 HIBDRN CC(C)c1cc(C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccccc2n1 ZINC000026851217 847208438 /nfs/dbraw/zinc/20/84/38/847208438.db2.gz KTEXZSLSXHRVJR-UHFFFAOYSA-N 0 0 419.437 4.013 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ncn(Cc3cccc(F)c3)n2)s1 ZINC000436414131 861766752 /nfs/dbraw/zinc/76/67/52/861766752.db2.gz QKIMBVQCSWIZQD-UHFFFAOYSA-N 0 0 423.473 4.392 20 5 HIBDRN COCCN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000026973261 847228355 /nfs/dbraw/zinc/22/83/55/847228355.db2.gz POTZOUDTCPROMN-UHFFFAOYSA-N 0 0 403.485 4.220 20 5 HIBDRN Cc1cccn2cc(COc3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)nc12 ZINC000027344624 847286739 /nfs/dbraw/zinc/28/67/39/847286739.db2.gz FMFSVMIZPBVAMB-UHFFFAOYSA-N 0 0 402.410 4.382 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3cc(Cl)ccc3o2)cccc1[N+](=O)[O-] ZINC000027427171 847302391 /nfs/dbraw/zinc/30/23/91/847302391.db2.gz ZRSJVWUEAZDWDS-LLVKDONJSA-N 0 0 402.790 4.487 20 5 HIBDRN CSc1ccc(C(=O)OCCCc2nc(-c3cccs3)no2)cc1[N+](=O)[O-] ZINC000027491625 847313082 /nfs/dbraw/zinc/31/30/82/847313082.db2.gz BPWWJHVUDCRZKU-UHFFFAOYSA-N 0 0 405.457 4.218 20 5 HIBDRN Cc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1 ZINC000027644210 847331437 /nfs/dbraw/zinc/33/14/37/847331437.db2.gz JWGVFFBCTVPDFR-UHFFFAOYSA-N 0 0 413.437 4.332 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC000027900335 847362004 /nfs/dbraw/zinc/36/20/04/847362004.db2.gz INKICAAWWBABGC-HTAPYJJXSA-N 0 0 409.486 4.045 20 5 HIBDRN Cc1csc(-c2ccc(OS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000028046896 847380022 /nfs/dbraw/zinc/38/00/22/847380022.db2.gz FLLGNKLXDWOOPW-UHFFFAOYSA-N 0 0 410.860 4.448 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)c2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000028055215 847381261 /nfs/dbraw/zinc/38/12/61/847381261.db2.gz OWEOCXNJOYNNJR-JTQLQIEISA-N 0 0 420.821 4.198 20 5 HIBDRN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000028393170 847414651 /nfs/dbraw/zinc/41/46/51/847414651.db2.gz HTGPVKGFOOZVEH-UHFFFAOYSA-N 0 0 420.903 4.472 20 5 HIBDRN CSc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000028400309 847415901 /nfs/dbraw/zinc/41/59/01/847415901.db2.gz KSYOBHLCBUYZQH-NSHDSACASA-N 0 0 406.485 4.223 20 5 HIBDRN O=C(CCc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000028413737 847417896 /nfs/dbraw/zinc/41/78/96/847417896.db2.gz LALBNGFCILMCPJ-UHFFFAOYSA-N 0 0 408.285 4.183 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000028424269 847420080 /nfs/dbraw/zinc/42/00/80/847420080.db2.gz WIVCMAUIJNMPEU-HZPDHXFCSA-N 0 0 406.438 4.479 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000028424815 847420378 /nfs/dbraw/zinc/42/03/78/847420378.db2.gz IYQFFHWRBWQKSM-JKSUJKDBSA-N 0 0 410.470 4.205 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000028424808 847420609 /nfs/dbraw/zinc/42/06/09/847420609.db2.gz IYQFFHWRBWQKSM-HZPDHXFCSA-N 0 0 410.470 4.205 20 5 HIBDRN COc1ccc(OC)c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000028468535 847424692 /nfs/dbraw/zinc/42/46/92/847424692.db2.gz PRLSHNFSUSTTNH-HUUCEWRRSA-N 0 0 413.474 4.347 20 5 HIBDRN O=C(COC(=O)C1(c2ccc(Cl)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000028611227 847437193 /nfs/dbraw/zinc/43/71/93/847437193.db2.gz DDIRVRUGPMZPSF-UHFFFAOYSA-N 0 0 409.225 4.115 20 5 HIBDRN O=C(Cn1c(COc2ccccc2)nc2ccccc21)OCc1cccc([N+](=O)[O-])c1 ZINC000028618530 847437275 /nfs/dbraw/zinc/43/72/75/847437275.db2.gz FGFUIPOHXAIITG-UHFFFAOYSA-N 0 0 417.421 4.267 20 5 HIBDRN CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000028614388 847437288 /nfs/dbraw/zinc/43/72/88/847437288.db2.gz CTKOIYPIEVAOLM-UHFFFAOYSA-N 0 0 417.805 4.199 20 5 HIBDRN CCOc1ccc(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000028669848 847442559 /nfs/dbraw/zinc/44/25/59/847442559.db2.gz CHAWWRRDNLJHKR-UHFFFAOYSA-N 0 0 419.481 4.105 20 5 HIBDRN C[C@@H](OC(=O)/C=C/c1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000028670165 847442761 /nfs/dbraw/zinc/44/27/61/847442761.db2.gz DOEJAZNLIXDBDY-OALRPVAKSA-N 0 0 409.225 4.485 20 5 HIBDRN COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000028781464 847459142 /nfs/dbraw/zinc/45/91/42/847459142.db2.gz YCIUDSCLOZUKJO-UHFFFAOYSA-N 0 0 400.412 4.197 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Nc2cc(C(C)(C)C)ccc2OC)c([N+](=O)[O-])c1 ZINC000028799906 847462445 /nfs/dbraw/zinc/46/24/45/847462445.db2.gz MOBFTLFEJNYJSY-ZDUSSCGKSA-N 0 0 401.463 4.349 20 5 HIBDRN COc1cc(F)ccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000028905638 847475656 /nfs/dbraw/zinc/47/56/56/847475656.db2.gz GSBFMHHRMCDLDZ-SECBINFHSA-N 0 0 401.316 4.200 20 5 HIBDRN CN(C(=O)CN1CCC(c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000028966828 847485852 /nfs/dbraw/zinc/48/58/52/847485852.db2.gz VYACMLQRLGVJOA-UHFFFAOYSA-N 0 0 410.499 4.047 20 5 HIBDRN COc1cc(C(=O)N(C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000029005144 847491836 /nfs/dbraw/zinc/49/18/36/847491836.db2.gz AQNLDNYUCMTPQR-UHFFFAOYSA-N 0 0 400.765 4.130 20 5 HIBDRN CC(C)[C@@H](NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000029270684 847535571 /nfs/dbraw/zinc/53/55/71/847535571.db2.gz WNWPKOHNTAJADQ-GOSISDBHSA-N 0 0 408.813 4.058 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(NCc3nnc(C4CCC4)n3C)c([N+](=O)[O-])c2)cc1 ZINC000436442665 861803981 /nfs/dbraw/zinc/80/39/81/861803981.db2.gz QKZJGYSQQTVXEZ-UHFFFAOYSA-N 0 0 420.473 4.164 20 5 HIBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(NC(=O)c2cccs2)cc1 ZINC000029480335 847569591 /nfs/dbraw/zinc/56/95/91/847569591.db2.gz ZGRZTTWPSSVDJP-UHFFFAOYSA-N 0 0 411.439 4.194 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cccc1[N+](=O)[O-] ZINC000029613316 847587876 /nfs/dbraw/zinc/58/78/76/847587876.db2.gz ZXSZLWUGTPSSNW-UHFFFAOYSA-N 0 0 409.421 4.280 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000029650412 847596828 /nfs/dbraw/zinc/59/68/28/847596828.db2.gz SISAZZVIPDVYJZ-IYBDPMFKSA-N 0 0 424.501 4.072 20 5 HIBDRN Cc1ccc(S(=O)(=O)c2ccc(CN(C)Cc3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000029724619 847609141 /nfs/dbraw/zinc/60/91/41/847609141.db2.gz VKTOMVWVUGTJOK-UHFFFAOYSA-N 0 0 410.495 4.368 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000029794798 847621279 /nfs/dbraw/zinc/62/12/79/847621279.db2.gz NZHQDOOPZQFIMO-UHFFFAOYSA-N 0 0 423.410 4.440 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000029903322 847645314 /nfs/dbraw/zinc/64/53/14/847645314.db2.gz SVZVPTXTIDBVPR-UHFFFAOYSA-N 0 0 404.728 4.207 20 5 HIBDRN O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029936408 847653397 /nfs/dbraw/zinc/65/33/97/847653397.db2.gz FVOFSEQJABQYJX-OAQYLSRUSA-N 0 0 411.458 4.064 20 5 HIBDRN CS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000436470138 861817241 /nfs/dbraw/zinc/81/72/41/861817241.db2.gz QHXLQDVTNCESID-GOSISDBHSA-N 0 0 422.890 4.019 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1cccs1)Cc1cccs1 ZINC000030324205 847703395 /nfs/dbraw/zinc/70/33/95/847703395.db2.gz BHNMIFQLMHBYQP-UHFFFAOYSA-N 0 0 408.526 4.417 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 ZINC000030859268 847786581 /nfs/dbraw/zinc/78/65/81/847786581.db2.gz KZMQHNRBOPSCLV-MRXNPFEDSA-N 0 0 403.866 4.111 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CCCc4ccccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000030896063 847792801 /nfs/dbraw/zinc/79/28/01/847792801.db2.gz BLEIMCLINXMXGN-NRFANRHFSA-N 0 0 418.497 4.306 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCc3nc4ccccc4s3)cc2[N+](=O)[O-])C1 ZINC000030970985 847803037 /nfs/dbraw/zinc/80/30/37/847803037.db2.gz JDDNKHYPAATXLP-AWEZNQCLSA-N 0 0 410.499 4.371 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000031022634 847809734 /nfs/dbraw/zinc/80/97/34/847809734.db2.gz CBHXTTYOCNCOFN-CYBMUJFWSA-N 0 0 402.476 4.244 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c1 ZINC000031076236 847818674 /nfs/dbraw/zinc/81/86/74/847818674.db2.gz MHFKJYPLEAIGRT-UHFFFAOYSA-N 0 0 400.378 4.488 20 5 HIBDRN CCOc1ccc2nc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)sc2c1 ZINC000031226146 847846900 /nfs/dbraw/zinc/84/69/00/847846900.db2.gz GJZGSVBUWGCSKK-UHFFFAOYSA-N 0 0 409.427 4.041 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])o2)cs1 ZINC000031586880 847913204 /nfs/dbraw/zinc/91/32/04/847913204.db2.gz NRSQAQVVTDQBGI-UHFFFAOYSA-N 0 0 401.444 4.013 20 5 HIBDRN CC(C)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000031674121 847926039 /nfs/dbraw/zinc/92/60/39/847926039.db2.gz OENXSRLZSFNMHO-NSHDSACASA-N 0 0 404.248 4.144 20 5 HIBDRN O=C(Nc1cccc(Cl)c1F)c1cc([N+](=O)[O-])ccc1I ZINC000031693174 847931312 /nfs/dbraw/zinc/93/13/12/847931312.db2.gz LPDRYAUPMHIXSO-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000031708865 847934552 /nfs/dbraw/zinc/93/45/52/847934552.db2.gz NVYJHXRRPBCJNB-UHFFFAOYSA-N 0 0 412.833 4.329 20 5 HIBDRN CC(C)(C)C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000031801239 847952370 /nfs/dbraw/zinc/95/23/70/847952370.db2.gz XQPSCHILAGBXMX-MRXNPFEDSA-N 0 0 415.515 4.080 20 5 HIBDRN Cc1c(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cccc1[N+](=O)[O-] ZINC000031895304 847962451 /nfs/dbraw/zinc/96/24/51/847962451.db2.gz OXSKMXLHISWKGI-GOSISDBHSA-N 0 0 405.857 4.263 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1[N+](=O)[O-] ZINC000031916117 847964443 /nfs/dbraw/zinc/96/44/43/847964443.db2.gz SZSWXBHRFKLJQM-UHFFFAOYSA-N 0 0 400.485 4.236 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)cs1 ZINC000032047524 847982342 /nfs/dbraw/zinc/98/23/42/847982342.db2.gz FVVWNDODPXXXKB-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccccc1[N+](=O)[O-] ZINC000032215820 847992074 /nfs/dbraw/zinc/99/20/74/847992074.db2.gz XWHQURBBYKIXOV-QGZVFWFLSA-N 0 0 423.425 4.063 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000032367573 848013498 /nfs/dbraw/zinc/01/34/98/848013498.db2.gz HAMYBGWPABKFII-UHFFFAOYSA-N 0 0 400.500 4.243 20 5 HIBDRN C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000032483575 848037384 /nfs/dbraw/zinc/03/73/84/848037384.db2.gz FCYYBLDZALGJLH-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN Cc1c(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cccc1[N+](=O)[O-] ZINC000032517741 848043320 /nfs/dbraw/zinc/04/33/20/848043320.db2.gz LYUYWSZNLSURBV-LZGZYFLISA-N 0 0 413.518 4.199 20 5 HIBDRN O=C(c1ccccc1O)N1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000436578845 861858881 /nfs/dbraw/zinc/85/88/81/861858881.db2.gz SPEMXWWZOWTNCO-UHFFFAOYSA-N 0 0 410.257 4.324 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000032677447 848062150 /nfs/dbraw/zinc/06/21/50/848062150.db2.gz HJHJXHBUVUJDSL-OAHLLOKOSA-N 0 0 407.426 4.068 20 5 HIBDRN CCCCOc1ccc(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1OC ZINC000032750018 848071475 /nfs/dbraw/zinc/07/14/75/848071475.db2.gz GTUUMZPMXNXOJE-UHFFFAOYSA-N 0 0 404.488 4.434 20 5 HIBDRN O=C(COc1cc(F)ccc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000032854197 848084202 /nfs/dbraw/zinc/08/42/02/848084202.db2.gz QAHGLRSGKGJDOC-OAHLLOKOSA-N 0 0 415.402 4.145 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(NC(N)=O)c2)cc1 ZINC000032938424 848094263 /nfs/dbraw/zinc/09/42/63/848094263.db2.gz UFFALQSFJCNMSN-UHFFFAOYSA-N 0 0 422.397 4.139 20 5 HIBDRN CNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 ZINC000033157791 848115977 /nfs/dbraw/zinc/11/59/77/848115977.db2.gz PSXWAFULFOIJMK-UHFFFAOYSA-N 0 0 421.409 4.008 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc(C(F)(F)F)cs1 ZINC000036759703 848160931 /nfs/dbraw/zinc/16/09/31/848160931.db2.gz GOXOBAMELIGFDW-UHFFFAOYSA-N 0 0 403.385 4.269 20 5 HIBDRN CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 ZINC000036802161 848164643 /nfs/dbraw/zinc/16/46/43/848164643.db2.gz ALPHKXBISLCGND-NSHDSACASA-N 0 0 403.489 4.054 20 5 HIBDRN O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1cc([N+](=O)[O-])ccc1F ZINC000039210262 848182928 /nfs/dbraw/zinc/18/29/28/848182928.db2.gz NKQIJMYCIHDMNH-UHFFFAOYSA-N 0 0 411.176 4.001 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCCCC2 ZINC000039565076 848190721 /nfs/dbraw/zinc/19/07/21/848190721.db2.gz VSBVTLQYDVCMFI-LBPRGKRZSA-N 0 0 418.471 4.118 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000040311560 848197848 /nfs/dbraw/zinc/19/78/48/848197848.db2.gz VXTIJBBDCBLSMJ-NRFANRHFSA-N 0 0 403.394 4.291 20 5 HIBDRN COc1ccccc1-c1csc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 ZINC000040969540 848199752 /nfs/dbraw/zinc/19/97/52/848199752.db2.gz NPPABLPOYHSBNS-UHFFFAOYSA-N 0 0 414.399 4.196 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Sc1ccccc1 ZINC000041411550 848214083 /nfs/dbraw/zinc/21/40/83/848214083.db2.gz FLHXVOQUNAYIPP-UHFFFAOYSA-N 0 0 407.451 4.001 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000041851730 848257699 /nfs/dbraw/zinc/25/76/99/848257699.db2.gz OCNWEIHPGJBTIA-GOSISDBHSA-N 0 0 401.438 4.275 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCc2c(F)cc(F)cc21 ZINC000041866504 848260220 /nfs/dbraw/zinc/26/02/20/848260220.db2.gz UJCAUXCYHNCKRY-UHFFFAOYSA-N 0 0 404.416 4.412 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000041882315 848261975 /nfs/dbraw/zinc/26/19/75/848261975.db2.gz RVCJFYFGCBMPPB-ZDUSSCGKSA-N 0 0 406.529 4.436 20 5 HIBDRN COc1ccc(NC(=O)CCSc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 ZINC000041904105 848265172 /nfs/dbraw/zinc/26/51/72/848265172.db2.gz ZOQCQWJIHALBFV-UHFFFAOYSA-N 0 0 401.366 4.138 20 5 HIBDRN CC1(C)Cc2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2C(=O)C1 ZINC000042652766 848339484 /nfs/dbraw/zinc/33/94/84/848339484.db2.gz ZIRZKKBUMOPPLD-UHFFFAOYSA-N 0 0 414.487 4.059 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] ZINC000042730744 848348671 /nfs/dbraw/zinc/34/86/71/848348671.db2.gz POUMLOBNKNGOHH-UHFFFAOYSA-N 0 0 414.414 4.127 20 5 HIBDRN COc1ccc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000043092938 848383879 /nfs/dbraw/zinc/38/38/79/848383879.db2.gz WBSFAVYZUPVSGJ-HNNXBMFYSA-N 0 0 419.437 4.347 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000043379052 848415942 /nfs/dbraw/zinc/41/59/42/848415942.db2.gz FHAALNHYJBNGOT-UHFFFAOYSA-N 0 0 415.500 4.403 20 5 HIBDRN CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000043388837 848416941 /nfs/dbraw/zinc/41/69/41/848416941.db2.gz IXYYJLJLHCQRQW-UHFFFAOYSA-N 0 0 417.897 4.122 20 5 HIBDRN Cc1cc(Br)ccc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000043448917 848424930 /nfs/dbraw/zinc/42/49/30/848424930.db2.gz HSRVUYBITQGUMD-UHFFFAOYSA-N 0 0 419.279 4.020 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000043769879 848462923 /nfs/dbraw/zinc/46/29/23/848462923.db2.gz FTXQSRIOFDSLAO-UHFFFAOYSA-N 0 0 413.437 4.115 20 5 HIBDRN CCCOc1cc(NC(=O)NCc2nc(C)cs2)c([N+](=O)[O-])cc1OCCC ZINC000043878481 848485601 /nfs/dbraw/zinc/48/56/01/848485601.db2.gz BFOOHLLFAOXUAR-UHFFFAOYSA-N 0 0 408.480 4.259 20 5 HIBDRN COC(=O)/C=C\c1ccc(Sc2nnc(C)n2-c2ccccc2C)c([N+](=O)[O-])c1 ZINC000043930423 848491837 /nfs/dbraw/zinc/49/18/37/848491837.db2.gz IDXLUODMWWAXMW-LUAWRHEFSA-N 0 0 410.455 4.130 20 5 HIBDRN O=C(Nc1ccc(OC2CCCC2)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000044326441 848545814 /nfs/dbraw/zinc/54/58/14/848545814.db2.gz FGCOADBGOMRPIU-UHFFFAOYSA-N 0 0 410.474 4.270 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cc1OC ZINC000044619986 848579449 /nfs/dbraw/zinc/57/94/49/848579449.db2.gz ZOPMRMZIQURNJC-LLVKDONJSA-N 0 0 410.373 4.095 20 5 HIBDRN COc1cc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 ZINC000044635081 848585537 /nfs/dbraw/zinc/58/55/37/848585537.db2.gz IYSFYUKEVOOTCF-HNNXBMFYSA-N 0 0 414.458 4.181 20 5 HIBDRN CC(C)Oc1ccc([C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000045237685 848650844 /nfs/dbraw/zinc/65/08/44/848650844.db2.gz LMPBVRWOZBVCGC-KRWDZBQOSA-N 0 0 411.502 4.476 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cc1OC ZINC000045413831 848677816 /nfs/dbraw/zinc/67/78/16/848677816.db2.gz UMZKHKDWAZGMAI-CQSZACIVSA-N 0 0 402.447 4.280 20 5 HIBDRN CCOc1cc(C(=O)N(CC)[C@H](C)c2cccc(OC)c2)c([N+](=O)[O-])cc1OC ZINC000045508057 848686188 /nfs/dbraw/zinc/68/61/88/848686188.db2.gz SNNKORLIKZXETE-CQSZACIVSA-N 0 0 402.447 4.234 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(CC)[C@H](C)c2cccc(OC)c2)cc1OC ZINC000045508334 848686407 /nfs/dbraw/zinc/68/64/07/848686407.db2.gz DHRNYTCHSBYIRM-CQSZACIVSA-N 0 0 402.447 4.234 20 5 HIBDRN CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H](C)c1cccc(OC)c1 ZINC000045507948 848686451 /nfs/dbraw/zinc/68/64/51/848686451.db2.gz NLYNQVPSDORFFN-KRWDZBQOSA-N 0 0 411.502 4.430 20 5 HIBDRN CCOc1cc(C(=O)N(CC)[C@@H](C)c2cccc(OC)c2)c([N+](=O)[O-])cc1OC ZINC000045508055 848686692 /nfs/dbraw/zinc/68/66/92/848686692.db2.gz SNNKORLIKZXETE-AWEZNQCLSA-N 0 0 402.447 4.234 20 5 HIBDRN Cc1c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccc(F)cc1 ZINC000045517810 848687972 /nfs/dbraw/zinc/68/79/72/848687972.db2.gz WEHLBPVMEZZLOD-LLVKDONJSA-N 0 0 402.813 4.372 20 5 HIBDRN Cc1ccc(C)c(Oc2ccc(CNC(=O)NCc3ccccc3[N+](=O)[O-])cn2)c1 ZINC000045623046 848704066 /nfs/dbraw/zinc/70/40/66/848704066.db2.gz ZGWGIDCXDAXYPY-UHFFFAOYSA-N 0 0 406.442 4.398 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])cc1OC(F)F ZINC000045667966 848710023 /nfs/dbraw/zinc/71/00/23/848710023.db2.gz QNBFWLHHXSORKE-JTQLQIEISA-N 0 0 406.341 4.442 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000045740457 848720617 /nfs/dbraw/zinc/72/06/17/848720617.db2.gz OVSKTRXULAKDGC-UHFFFAOYSA-N 0 0 411.336 4.223 20 5 HIBDRN C[C@@H](c1nc(-c2ccccc2)no1)N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000045808442 848733011 /nfs/dbraw/zinc/73/30/11/848733011.db2.gz QRWLAPTWRFCTLM-IRXDYDNUSA-N 0 0 407.474 4.085 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2Br)cc1OC ZINC000045990539 848767432 /nfs/dbraw/zinc/76/74/32/848767432.db2.gz KLWORTSHWZXEMB-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN COc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(C(F)(F)F)c1 ZINC000046151346 848790096 /nfs/dbraw/zinc/79/00/96/848790096.db2.gz ZZJVYNMFXGQDRG-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 ZINC000046181254 848797131 /nfs/dbraw/zinc/79/71/31/848797131.db2.gz DYWLXYKWDILYON-UHFFFAOYSA-N 0 0 412.364 4.255 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1Br ZINC000046238577 848809862 /nfs/dbraw/zinc/80/98/62/848809862.db2.gz SUQPRXUTOZPWCS-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000046342071 848826527 /nfs/dbraw/zinc/82/65/27/848826527.db2.gz VHPVPTSWJNVYOY-KBPBESRZSA-N 0 0 403.866 4.110 20 5 HIBDRN CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc(Br)c1O ZINC000436758825 861948300 /nfs/dbraw/zinc/94/83/00/861948300.db2.gz ZQEJYFRCBUCOSJ-UHFFFAOYSA-N 0 0 406.192 4.179 20 5 HIBDRN COc1ccc(Oc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccn2)cc1 ZINC000046457507 848852165 /nfs/dbraw/zinc/85/21/65/848852165.db2.gz IEEFZIUTAIGEHS-UHFFFAOYSA-N 0 0 413.817 4.374 20 5 HIBDRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000046638748 848894172 /nfs/dbraw/zinc/89/41/72/848894172.db2.gz SGHDZZVGJMGANS-UHFFFAOYSA-N 0 0 408.498 4.457 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000046709251 848916336 /nfs/dbraw/zinc/91/63/36/848916336.db2.gz QFYIAICXMQXWGV-OAHLLOKOSA-N 0 0 401.463 4.070 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000046717349 848917980 /nfs/dbraw/zinc/91/79/80/848917980.db2.gz KKSNHFXLSLBZKP-IAGOWNOFSA-N 0 0 424.501 4.154 20 5 HIBDRN CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000046864905 848950614 /nfs/dbraw/zinc/95/06/14/848950614.db2.gz YAMAACNAMQMBQQ-UHFFFAOYSA-N 0 0 422.470 4.139 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cc1OC ZINC000046999590 848970688 /nfs/dbraw/zinc/97/06/88/848970688.db2.gz PKDVADMVOXYLOM-AWEZNQCLSA-N 0 0 402.447 4.280 20 5 HIBDRN O=C(NC1CCN(c2ccccn2)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000047123577 848987986 /nfs/dbraw/zinc/98/79/86/848987986.db2.gz OPQVCGFQKHVIKH-UHFFFAOYSA-N 0 0 417.469 4.132 20 5 HIBDRN COc1cc(-c2nnc(SCc3csc([N+](=O)[O-])c3)o2)cc(OC)c1OC ZINC000047171854 848997588 /nfs/dbraw/zinc/99/75/88/848997588.db2.gz WHCPWXCLWJHPFJ-UHFFFAOYSA-N 0 0 409.445 4.024 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(OCc2csc(-c3ccc(OC)cc3)n2)c1 ZINC000047354836 849030975 /nfs/dbraw/zinc/03/09/75/849030975.db2.gz TXPYMPJUZLRXNW-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN Cc1c(OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000047355543 849031380 /nfs/dbraw/zinc/03/13/80/849031380.db2.gz AVNZISLFZGICIC-INIZCTEOSA-N 0 0 411.439 4.314 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(Sc3nncs3)cc2)cc1[N+](=O)[O-] ZINC000047407746 849041273 /nfs/dbraw/zinc/04/12/73/849041273.db2.gz VMJSFGBJHUIFKA-UHFFFAOYSA-N 0 0 402.457 4.249 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000047507466 849059323 /nfs/dbraw/zinc/05/93/23/849059323.db2.gz VAFWOAGJJREEOV-CQSZACIVSA-N 0 0 417.487 4.194 20 5 HIBDRN C[C@@H](CCc1ccco1)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000047741564 849101835 /nfs/dbraw/zinc/10/18/35/849101835.db2.gz HFRYVTPJIDYDHW-NSHDSACASA-N 0 0 402.394 4.436 20 5 HIBDRN O=C(NCc1ccc(OC(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047864822 849128962 /nfs/dbraw/zinc/12/89/62/849128962.db2.gz XIDSUBBBNCBXEN-UHFFFAOYSA-N 0 0 403.288 4.119 20 5 HIBDRN CCOc1ncccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000047974544 849145811 /nfs/dbraw/zinc/14/58/11/849145811.db2.gz RFANNMVCHRQURR-UHFFFAOYSA-N 0 0 401.366 4.138 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000048104002 849167462 /nfs/dbraw/zinc/16/74/62/849167462.db2.gz USHLLMQBVAKBNA-HZPDHXFCSA-N 0 0 410.474 4.492 20 5 HIBDRN O=C(Nc1cccc(OC(F)F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000048266555 849200394 /nfs/dbraw/zinc/20/03/94/849200394.db2.gz CEQUXICDSKURQT-UHFFFAOYSA-N 0 0 406.263 4.390 20 5 HIBDRN Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048305937 849206454 /nfs/dbraw/zinc/20/64/54/849206454.db2.gz YKNGVIFXZVGZJB-UHFFFAOYSA-N 0 0 414.512 4.051 20 5 HIBDRN Cc1c(CS(=O)(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] ZINC000048717152 849258985 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HIBDRN CCOc1ccc(C2(CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CCOCC2)cc1 ZINC000056520200 850382398 /nfs/dbraw/zinc/38/23/98/850382398.db2.gz PZCKOSVFMQNENQ-UHFFFAOYSA-N 0 0 413.474 4.172 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056765243 850473605 /nfs/dbraw/zinc/47/36/05/850473605.db2.gz KKTWYCIUMBOABR-INIZCTEOSA-N 0 0 410.474 4.350 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000056834143 850498850 /nfs/dbraw/zinc/49/88/50/850498850.db2.gz KZJKMRHWGPIUQC-MRXNPFEDSA-N 0 0 404.264 4.404 20 5 HIBDRN C[C@@H](NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056977716 850528414 /nfs/dbraw/zinc/52/84/14/850528414.db2.gz JXACQOXWLOLJCM-CYBMUJFWSA-N 0 0 404.854 4.027 20 5 HIBDRN Cc1c(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000057357704 850612888 /nfs/dbraw/zinc/61/28/88/850612888.db2.gz KCOZMADIGBMSRP-UHFFFAOYSA-N 0 0 419.275 4.101 20 5 HIBDRN Cc1nc2ccccc2c2c(NC(=O)c3cccc(-n4cnnn4)c3)c3ccccc3n21 ZINC000057355099 850613293 /nfs/dbraw/zinc/61/32/93/850613293.db2.gz FPPBXPSQEKJGBT-UHFFFAOYSA-N 0 0 419.448 4.177 20 5 HIBDRN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000057358259 850614386 /nfs/dbraw/zinc/61/43/86/850614386.db2.gz TYMVUMRWKCWLOA-LJQANCHMSA-N 0 0 408.458 4.004 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)CCCCCC3)cc1OC ZINC000057360940 850615458 /nfs/dbraw/zinc/61/54/58/850615458.db2.gz MTWJPLQDFGSAMZ-UHFFFAOYSA-N 0 0 405.476 4.370 20 5 HIBDRN Cc1ccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)cc1[N+](=O)[O-] ZINC000057376166 850618729 /nfs/dbraw/zinc/61/87/29/850618729.db2.gz SZHFZECLFFGDLH-UHFFFAOYSA-N 0 0 419.275 4.101 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000057509719 850655281 /nfs/dbraw/zinc/65/52/81/850655281.db2.gz ONDRRBQRBWAWOD-UHFFFAOYSA-N 0 0 410.451 4.203 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCc3c2cccc3O)nc1N[C@@H]1CCc2c1cccc2O ZINC000436996670 862169841 /nfs/dbraw/zinc/16/98/41/862169841.db2.gz DRVHYTATIDRLRW-QZTJIDSGSA-N 0 0 418.453 4.600 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CC2 ZINC000058492952 850838545 /nfs/dbraw/zinc/83/85/45/850838545.db2.gz ZBECCPCQFHHUJP-UHFFFAOYSA-N 0 0 406.769 4.018 20 5 HIBDRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)c12 ZINC000058550505 850853709 /nfs/dbraw/zinc/85/37/09/850853709.db2.gz PQKUPQRHWQRIFX-UHFFFAOYSA-N 0 0 407.455 4.190 20 5 HIBDRN COc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c([N+](=O)[O-])c1 ZINC000058565465 850857184 /nfs/dbraw/zinc/85/71/84/850857184.db2.gz FQYVDILJARHRJU-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000058631143 850873489 /nfs/dbraw/zinc/87/34/89/850873489.db2.gz JQDQOKGBGZKAPA-AWEZNQCLSA-N 0 0 421.400 4.444 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000058670802 850884394 /nfs/dbraw/zinc/88/43/94/850884394.db2.gz GHXLKLSBPKTPPT-ZDUSSCGKSA-N 0 0 408.458 4.009 20 5 HIBDRN COc1ccc2c(c1)CCN2C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000058715996 850899788 /nfs/dbraw/zinc/89/97/88/850899788.db2.gz AWBLFRGUFVFEDI-UHFFFAOYSA-N 0 0 412.389 4.304 20 5 HIBDRN COc1ccc2c(c1)CCN2C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000058715846 850900311 /nfs/dbraw/zinc/90/03/11/850900311.db2.gz NAJGKTSWTJPRLV-IYBDPMFKSA-N 0 0 409.486 4.289 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000437009789 862185781 /nfs/dbraw/zinc/18/57/81/862185781.db2.gz LXRPVEHPUNJKON-SFHVURJKSA-N 0 0 420.506 4.359 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000059118610 850984604 /nfs/dbraw/zinc/98/46/04/850984604.db2.gz NEISACWRRXUWOQ-CYBMUJFWSA-N 0 0 401.488 4.231 20 5 HIBDRN Cc1c(C(=O)Nc2ccccc2-n2cc(Br)cn2)cccc1[N+](=O)[O-] ZINC000059254141 850988310 /nfs/dbraw/zinc/98/83/10/850988310.db2.gz DKUHHODDIOMAFT-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1CN1CCc2ccccc21 ZINC000059338162 850998688 /nfs/dbraw/zinc/99/86/88/850998688.db2.gz IIQVSCFLIUGKJU-UHFFFAOYSA-N 0 0 403.438 4.175 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(Cn1ncn(-c2ccccc2)c1=S)CC(F)(F)F ZINC000059579203 851008448 /nfs/dbraw/zinc/00/84/48/851008448.db2.gz ROEQGOYRLFSDFM-UHFFFAOYSA-N 0 0 423.420 4.333 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000059734081 851009466 /nfs/dbraw/zinc/00/94/66/851009466.db2.gz DLMISUBNFIUESG-OAHLLOKOSA-N 0 0 422.485 4.352 20 5 HIBDRN CCOc1c(Cl)cc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000059781227 851012779 /nfs/dbraw/zinc/01/27/79/851012779.db2.gz IZEHOROHAZQYGQ-GFCCVEGCSA-N 0 0 424.906 4.453 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000059810144 851014796 /nfs/dbraw/zinc/01/47/96/851014796.db2.gz OURIUIAVHWIGOW-IBGZPJMESA-N 0 0 419.275 4.394 20 5 HIBDRN CCOC1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 ZINC000059889454 851022251 /nfs/dbraw/zinc/02/22/51/851022251.db2.gz YYPIUVGXOYMFND-UHFFFAOYSA-N 0 0 407.517 4.152 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 ZINC000060033599 851033026 /nfs/dbraw/zinc/03/30/26/851033026.db2.gz XRGAASZCULOBJM-UHFFFAOYSA-N 0 0 402.410 4.409 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])cc3Cl)cc2)C[C@@H](C)O1 ZINC000060082441 851039004 /nfs/dbraw/zinc/03/90/04/851039004.db2.gz ZJKHZAUGHRSTEB-ZIAGYGMSSA-N 0 0 403.866 4.110 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccsc2)c2cccnc2)c1C ZINC000060363643 851078879 /nfs/dbraw/zinc/07/88/79/851078879.db2.gz DFXVPDFYUUCBKG-UHFFFAOYSA-N 0 0 403.485 4.064 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccnn3Cc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000060439827 851100341 /nfs/dbraw/zinc/10/03/41/851100341.db2.gz DEDSMSDNOQZJQE-KRWDZBQOSA-N 0 0 419.485 4.328 20 5 HIBDRN CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000060442381 851101702 /nfs/dbraw/zinc/10/17/02/851101702.db2.gz OORUQBWHKPXPPI-UHFFFAOYSA-N 0 0 422.485 4.231 20 5 HIBDRN CCOC1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000060493723 851119900 /nfs/dbraw/zinc/11/99/00/851119900.db2.gz LMTODVHOCFZZMW-FQEVSTJZSA-N 0 0 417.893 4.429 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2)cc1C ZINC000060497200 851121477 /nfs/dbraw/zinc/12/14/77/851121477.db2.gz ORWLWYHXEZPTHM-UHFFFAOYSA-N 0 0 400.456 4.196 20 5 HIBDRN O=C(Nc1cccc(Oc2cccnn2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437029279 862213524 /nfs/dbraw/zinc/21/35/24/862213524.db2.gz PPSRUTDPVINXBD-UHFFFAOYSA-N 0 0 404.304 4.448 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N2CCC(c3cccc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000060729903 851199589 /nfs/dbraw/zinc/19/95/89/851199589.db2.gz GFPFXQPIPHQBPL-UHFFFAOYSA-N 0 0 417.465 4.401 20 5 HIBDRN O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000060775154 851210158 /nfs/dbraw/zinc/21/01/58/851210158.db2.gz HAJJEGMUFKLCOU-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN COc1ccc(CN(c2ccccc2)S(=O)(=O)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000060817207 851219658 /nfs/dbraw/zinc/21/96/58/851219658.db2.gz NCKDIZGWRBTMBK-UHFFFAOYSA-N 0 0 412.467 4.307 20 5 HIBDRN CCCNC(=O)c1cccc(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000060859740 851233971 /nfs/dbraw/zinc/23/39/71/851233971.db2.gz JTNCMMLJIDRNFD-UHFFFAOYSA-N 0 0 405.458 4.112 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)c([N+](=O)[O-])c1 ZINC000060875215 851238139 /nfs/dbraw/zinc/23/81/39/851238139.db2.gz NOZQOYKRWNQRNQ-UHFFFAOYSA-N 0 0 416.397 4.363 20 5 HIBDRN O=[N+]([O-])c1cc(CNCc2nnc3ccccn32)ccc1Oc1ccccc1Cl ZINC000061029238 851278614 /nfs/dbraw/zinc/27/86/14/851278614.db2.gz ARGUMSWUFCATIC-UHFFFAOYSA-N 0 0 409.833 4.373 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ncc(Cc2ccc(Cl)cc2C)s1 ZINC000061164048 851308997 /nfs/dbraw/zinc/30/89/97/851308997.db2.gz CCLCEEIPIQDZBN-UHFFFAOYSA-N 0 0 419.894 4.138 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(CCc3ccncc3)CC2)s1 ZINC000061310650 851344829 /nfs/dbraw/zinc/34/48/29/851344829.db2.gz FGHZZMZETKPZPY-UHFFFAOYSA-N 0 0 408.527 4.079 20 5 HIBDRN Cc1ccc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000061523434 851394483 /nfs/dbraw/zinc/39/44/83/851394483.db2.gz TXMSUQMALKVCED-UHFFFAOYSA-N 0 0 400.438 4.231 20 5 HIBDRN C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(c1ccccc1)c1ccccc1 ZINC000061575666 851408928 /nfs/dbraw/zinc/40/89/28/851408928.db2.gz GGTLCMQQTYHJMD-INIZCTEOSA-N 0 0 404.422 4.046 20 5 HIBDRN Cc1ccc(C)n1-c1sccc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000061619194 851414446 /nfs/dbraw/zinc/41/44/46/851414446.db2.gz SMRUZFIYWAXLJO-UHFFFAOYSA-N 0 0 410.499 4.026 20 5 HIBDRN O=C(NCCc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437048675 862241879 /nfs/dbraw/zinc/24/18/79/862241879.db2.gz FCRJZNQBOXSNSR-UHFFFAOYSA-N 0 0 413.299 4.061 20 5 HIBDRN COc1ccc([C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 ZINC000063069450 851610299 /nfs/dbraw/zinc/61/02/99/851610299.db2.gz VZWFFIVYFJHNLR-NRFANRHFSA-N 0 0 409.417 4.331 20 5 HIBDRN Cc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1cc(C)ccc1C ZINC000437070541 862266026 /nfs/dbraw/zinc/26/60/26/862266026.db2.gz CUMCCORXUOFQMB-UHFFFAOYSA-N 0 0 416.441 4.144 20 5 HIBDRN CCOCCOc1c(Cl)cccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000063312085 851657694 /nfs/dbraw/zinc/65/76/94/851657694.db2.gz FPVGEFCAVLQPRJ-CYBMUJFWSA-N 0 0 407.854 4.103 20 5 HIBDRN CC(C)Cc1nc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cs1 ZINC000063593759 851721024 /nfs/dbraw/zinc/72/10/24/851721024.db2.gz DZBIPNPFOKMVQP-UHFFFAOYSA-N 0 0 401.410 4.455 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CC=C(c3cccc4ccccc43)CC2)cc([N+](=O)[O-])c1 ZINC000063691940 851742205 /nfs/dbraw/zinc/74/22/05/851742205.db2.gz SIPUAWQJGUTVGN-UHFFFAOYSA-N 0 0 416.433 4.464 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)cnn2Cc2cc(F)ccc2F)c1 ZINC000063830238 851773647 /nfs/dbraw/zinc/77/36/47/851773647.db2.gz MMQPRPQVANFSTL-UHFFFAOYSA-N 0 0 418.425 4.400 20 5 HIBDRN Cc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cs2)c(C)c1 ZINC000063897928 851788531 /nfs/dbraw/zinc/78/85/31/851788531.db2.gz ANJAEWMQRZMHBX-UHFFFAOYSA-N 0 0 422.510 4.298 20 5 HIBDRN CCCN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000063951626 851803093 /nfs/dbraw/zinc/80/30/93/851803093.db2.gz GDMUCCTUURLIQP-UHFFFAOYSA-N 0 0 423.494 4.382 20 5 HIBDRN CCCCOc1cccc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c1 ZINC000064113378 851829484 /nfs/dbraw/zinc/82/94/84/851829484.db2.gz GZDOTYPXLILXHI-UHFFFAOYSA-N 0 0 408.458 4.350 20 5 HIBDRN CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000064321586 851871375 /nfs/dbraw/zinc/87/13/75/851871375.db2.gz LFTWUJXWIDJEKQ-UHFFFAOYSA-N 0 0 416.478 4.486 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000064420111 851893811 /nfs/dbraw/zinc/89/38/11/851893811.db2.gz ZHOWQAKAODBVRQ-QWHCGFSZSA-N 0 0 422.865 4.300 20 5 HIBDRN Cc1ccc(OCCCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000064421129 851893902 /nfs/dbraw/zinc/89/39/02/851893902.db2.gz RRZGUDIKBCSDGY-OAHLLOKOSA-N 0 0 406.866 4.299 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccccc1C(F)(F)F ZINC000064421313 851894073 /nfs/dbraw/zinc/89/40/73/851894073.db2.gz YUFYCHCHLGGSEQ-NSHDSACASA-N 0 0 416.783 4.393 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(OCc3ccccc3F)cc2)cc([N+](=O)[O-])c1 ZINC000064423538 851895504 /nfs/dbraw/zinc/89/55/04/851895504.db2.gz SUNHYKGTXMPEPH-UHFFFAOYSA-N 0 0 424.384 4.352 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-])c1ccccn1 ZINC000064670152 851950151 /nfs/dbraw/zinc/95/01/51/851950151.db2.gz KUEDTTUNPPDGIH-AWEZNQCLSA-N 0 0 420.425 4.186 20 5 HIBDRN COc1cccc(C[C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000064737774 851972100 /nfs/dbraw/zinc/97/21/00/851972100.db2.gz FGYZHNXZUPVJDJ-YOEHRIQHSA-N 0 0 418.877 4.258 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(OC)c1OC(F)F ZINC000437118915 862305161 /nfs/dbraw/zinc/30/51/61/862305161.db2.gz XLJRMOXJEQVGEP-UHFFFAOYSA-N 0 0 422.384 4.018 20 5 HIBDRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000064758131 851978967 /nfs/dbraw/zinc/97/89/67/851978967.db2.gz ZURJFSBACNOEHD-IERDGZPVSA-N 0 0 413.474 4.055 20 5 HIBDRN CC1(C)COCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000064812980 851991595 /nfs/dbraw/zinc/99/15/95/851991595.db2.gz RWZKVVNEVKTWQZ-UHFFFAOYSA-N 0 0 403.866 4.111 20 5 HIBDRN COc1ccc(Cl)c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 ZINC000064830566 851997888 /nfs/dbraw/zinc/99/78/88/851997888.db2.gz QSDVEOLCMHMUOZ-UHFFFAOYSA-N 0 0 414.849 4.371 20 5 HIBDRN COC(=O)c1ccc(Cl)c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000064896303 852014623 /nfs/dbraw/zinc/01/46/23/852014623.db2.gz DCVVBRLPKDLVTD-UHFFFAOYSA-N 0 0 417.830 4.411 20 5 HIBDRN Cc1sc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] ZINC000064902235 852016860 /nfs/dbraw/zinc/01/68/60/852016860.db2.gz YSJFKQUNLVJDBT-UHFFFAOYSA-N 0 0 410.377 4.099 20 5 HIBDRN CNC(=O)c1ccc(Sc2nnc(Nc3ccc(C)cc3)s2)c([N+](=O)[O-])c1 ZINC000064904903 852017877 /nfs/dbraw/zinc/01/78/77/852017877.db2.gz JMHDRCSWPZWOSH-UHFFFAOYSA-N 0 0 401.473 4.009 20 5 HIBDRN CCc1cc(NCc2c(OC)cc(OC)cc2OC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064914717 852019816 /nfs/dbraw/zinc/01/98/16/852019816.db2.gz NDYKYWSIQDDCDO-UHFFFAOYSA-N 0 0 424.457 4.252 20 5 HIBDRN CNC(=O)c1ccc(NCC(C)(C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000064914378 852019888 /nfs/dbraw/zinc/01/98/88/852019888.db2.gz JBFGFEXAGUQPIL-UHFFFAOYSA-N 0 0 406.280 4.107 20 5 HIBDRN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000065061362 852049333 /nfs/dbraw/zinc/04/93/33/852049333.db2.gz XCBZDKLCQHEAJB-SFHVURJKSA-N 0 0 408.458 4.340 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000437128886 862317696 /nfs/dbraw/zinc/31/76/96/862317696.db2.gz DNQSULUBNORDNC-AWEZNQCLSA-N 0 0 415.494 4.003 20 5 HIBDRN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437138764 862330358 /nfs/dbraw/zinc/33/03/58/862330358.db2.gz SGOGDZQCEAVLFY-QGZVFWFLSA-N 0 0 410.348 4.424 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)OC(C)(C)C2)cc1 ZINC000065611497 852198447 /nfs/dbraw/zinc/19/84/47/852198447.db2.gz GRHFPSIISAGJPM-AWEZNQCLSA-N 0 0 400.431 4.035 20 5 HIBDRN CC(C)(C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000437140524 862332207 /nfs/dbraw/zinc/33/22/07/862332207.db2.gz AXYQIOPERAWIMX-UHFFFAOYSA-N 0 0 409.364 4.394 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)cc1 ZINC000065685194 852218667 /nfs/dbraw/zinc/21/86/67/852218667.db2.gz FGGDSZLNMURAHS-LJQANCHMSA-N 0 0 404.488 4.082 20 5 HIBDRN Cc1ccc(S(=O)(=O)c2ccc(CSc3ncccc3[N+](=O)[O-])cc2)cc1 ZINC000065692660 852220568 /nfs/dbraw/zinc/22/05/68/852220568.db2.gz GAVYCTQXRNWMBR-UHFFFAOYSA-N 0 0 400.481 4.423 20 5 HIBDRN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065709303 852228448 /nfs/dbraw/zinc/22/84/48/852228448.db2.gz QFTYFSBDHXFTGB-LLVKDONJSA-N 0 0 407.348 4.292 20 5 HIBDRN Cc1ccc(OC2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC2)cc1C ZINC000065734698 852238797 /nfs/dbraw/zinc/23/87/97/852238797.db2.gz OKOQQPMIXKQHMJ-UHFFFAOYSA-N 0 0 407.470 4.236 20 5 HIBDRN CC(C)Oc1ccc(CC[C@@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000065735773 852239980 /nfs/dbraw/zinc/23/99/80/852239980.db2.gz FASPDLLAEAJITF-QGZVFWFLSA-N 0 0 409.486 4.474 20 5 HIBDRN CC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1Cl ZINC000437144725 862336064 /nfs/dbraw/zinc/33/60/64/862336064.db2.gz WHWGGBSMOSWSLF-UHFFFAOYSA-N 0 0 401.728 4.478 20 5 HIBDRN CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000065846823 852282764 /nfs/dbraw/zinc/28/27/64/852282764.db2.gz BFMFJDLARLSHIH-UHFFFAOYSA-N 0 0 403.307 4.357 20 5 HIBDRN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CCS1 ZINC000437150140 862342860 /nfs/dbraw/zinc/34/28/60/862342860.db2.gz ITNOUORYDPYBFN-KRWDZBQOSA-N 0 0 402.472 4.363 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)Nc2cnn(C(C)(C)C)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000065922233 852317565 /nfs/dbraw/zinc/31/75/65/852317565.db2.gz USOGKWJSOHXILF-CQSZACIVSA-N 0 0 408.462 4.367 20 5 HIBDRN COc1cc(OCC(=O)N(C)C(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000066014899 852355055 /nfs/dbraw/zinc/35/50/55/852355055.db2.gz MHQSDVGQKSQSBL-UHFFFAOYSA-N 0 0 406.438 4.230 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000066030751 852358713 /nfs/dbraw/zinc/35/87/13/852358713.db2.gz LCEZYEWYDBUMSE-UHFFFAOYSA-N 0 0 411.458 4.052 20 5 HIBDRN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000069101465 852382898 /nfs/dbraw/zinc/38/28/98/852382898.db2.gz KCOTVIPYRKMVFS-UHFFFAOYSA-N 0 0 414.849 4.278 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000069447536 852395350 /nfs/dbraw/zinc/39/53/50/852395350.db2.gz IRYWRXRHUQUNNA-CQSZACIVSA-N 0 0 405.248 4.470 20 5 HIBDRN O=C(CCCCc1nc2ccccc2s1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000069754281 852402475 /nfs/dbraw/zinc/40/24/75/852402475.db2.gz MRTYGVMNIZRZGV-UHFFFAOYSA-N 0 0 424.526 4.266 20 5 HIBDRN COc1cccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1OC ZINC000069834897 852404323 /nfs/dbraw/zinc/40/43/23/852404323.db2.gz UWMKOALHFLFIQB-UHFFFAOYSA-N 0 0 413.455 4.307 20 5 HIBDRN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000071892185 852426484 /nfs/dbraw/zinc/42/64/84/852426484.db2.gz PJIRNEZQEGCSLI-SFHVURJKSA-N 0 0 408.285 4.469 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2n1C ZINC000071923855 852432148 /nfs/dbraw/zinc/43/21/48/852432148.db2.gz QMJCXQKGLXLBIM-SNVBAGLBSA-N 0 0 420.878 4.263 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCCSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000071960196 852447583 /nfs/dbraw/zinc/44/75/83/852447583.db2.gz MOITXBDAEYNZFC-UHFFFAOYSA-N 0 0 418.784 4.481 20 5 HIBDRN COc1ccc(Cl)cc1-c1nc(SCCOc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000071960124 852447605 /nfs/dbraw/zinc/44/76/05/852447605.db2.gz WAZWXCSXNGJIDA-UHFFFAOYSA-N 0 0 406.851 4.213 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000071990113 852455787 /nfs/dbraw/zinc/45/57/87/852455787.db2.gz OEWUCZRKEDTMAV-UHFFFAOYSA-N 0 0 417.531 4.469 20 5 HIBDRN COc1cc(C)c(CN(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC ZINC000437167254 862360823 /nfs/dbraw/zinc/36/08/23/862360823.db2.gz SOTOEDLJXVCTDR-UHFFFAOYSA-N 0 0 412.364 4.211 20 5 HIBDRN O=C(Cc1nc(COc2ccc([N+](=O)[O-])cc2Cl)cs1)Nc1ccccc1 ZINC000072036745 852479134 /nfs/dbraw/zinc/47/91/34/852479134.db2.gz HTLNVCRAEUOCAN-UHFFFAOYSA-N 0 0 403.847 4.465 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2C)nc1-c1ccccc1 ZINC000072042881 852483305 /nfs/dbraw/zinc/48/33/05/852483305.db2.gz BGWIOWOSEBJQMW-UHFFFAOYSA-N 0 0 411.439 4.456 20 5 HIBDRN CCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000072070597 852495122 /nfs/dbraw/zinc/49/51/22/852495122.db2.gz RBLWMWTZZKHJQL-NRFANRHFSA-N 0 0 424.501 4.041 20 5 HIBDRN Cc1nn(CN(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c(C)c1Br ZINC000078603911 852519721 /nfs/dbraw/zinc/51/97/21/852519721.db2.gz CMNDHHMZALCMNB-UHFFFAOYSA-N 0 0 421.217 4.193 20 5 HIBDRN O=C1[C@@H](Sc2nnc(NC3CCCCC3)s2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000078768054 852527835 /nfs/dbraw/zinc/52/78/35/852527835.db2.gz UEAHLDXGOOVDLS-HNNXBMFYSA-N 0 0 419.532 4.089 20 5 HIBDRN Cc1cccc2nc(CNC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cn21 ZINC000078772354 852529336 /nfs/dbraw/zinc/52/93/36/852529336.db2.gz FAIYSGBMJAGHKI-UHFFFAOYSA-N 0 0 401.426 4.225 20 5 HIBDRN O=C(NCCCOc1cccc2cccnc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078923996 852535712 /nfs/dbraw/zinc/53/57/12/852535712.db2.gz DAPNXZGQYPDCBL-UHFFFAOYSA-N 0 0 400.822 4.387 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000079308026 852541812 /nfs/dbraw/zinc/54/18/12/852541812.db2.gz VGRFRKQPGPOGSG-QGZVFWFLSA-N 0 0 422.485 4.310 20 5 HIBDRN O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc2ccccc2c2cccnc12 ZINC000084536137 852544536 /nfs/dbraw/zinc/54/45/36/852544536.db2.gz KXZKJVICORRZRI-NRFANRHFSA-N 0 0 411.505 4.019 20 5 HIBDRN O=C(OCc1ccc(Br)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000096463122 852548654 /nfs/dbraw/zinc/54/86/54/852548654.db2.gz IBDYGXXXGGFENZ-UHFFFAOYSA-N 0 0 415.037 4.477 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OC ZINC000097326324 852601786 /nfs/dbraw/zinc/60/17/86/852601786.db2.gz LOQXNBFNYGGDBE-HNNXBMFYSA-N 0 0 413.474 4.012 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2ncn1CCCCOc1cccc(C(F)(F)F)c1 ZINC000097497804 852620256 /nfs/dbraw/zinc/62/02/56/852620256.db2.gz CKOLQRQYTXFUOG-UHFFFAOYSA-N 0 0 407.348 4.183 20 5 HIBDRN Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000097542645 852623469 /nfs/dbraw/zinc/62/34/69/852623469.db2.gz UUHHKGKCSNRPLA-UHFFFAOYSA-N 0 0 412.421 4.192 20 5 HIBDRN Cc1cc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000097572854 852633496 /nfs/dbraw/zinc/63/34/96/852633496.db2.gz YHSFVTQRRUWJOD-UHFFFAOYSA-N 0 0 408.526 4.417 20 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ZINC000146610118 853572409 /nfs/dbraw/zinc/57/24/09/853572409.db2.gz AUBOFNUNRWMIGO-UHFFFAOYSA-N 0 0 410.401 4.252 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000146571663 853572644 /nfs/dbraw/zinc/57/26/44/853572644.db2.gz NHVUCFGYHMUCJV-INIZCTEOSA-N 0 0 410.879 4.173 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)c1 ZINC000147089666 853581763 /nfs/dbraw/zinc/58/17/63/853581763.db2.gz LUVMJDZQMYAXOT-CQSZACIVSA-N 0 0 414.458 4.424 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)c1 ZINC000147473279 853588306 /nfs/dbraw/zinc/58/83/06/853588306.db2.gz KPSQBMRCXFSUBH-UHFFFAOYSA-N 0 0 419.437 4.094 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000148253148 853603702 /nfs/dbraw/zinc/60/37/02/853603702.db2.gz HJYXQTCYXZGIAA-UHFFFAOYSA-N 0 0 407.455 4.405 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000149485957 853625431 /nfs/dbraw/zinc/62/54/31/853625431.db2.gz 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C[C@H](Cc1cccc(Br)c1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000195678465 853753004 /nfs/dbraw/zinc/75/30/04/853753004.db2.gz JRDPSMJMMGAQKV-GFCCVEGCSA-N 0 0 409.305 4.197 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000195711654 853773989 /nfs/dbraw/zinc/77/39/89/853773989.db2.gz FGLOEVVNSRUTFJ-UHFFFAOYSA-N 0 0 411.458 4.052 20 5 HIBDRN CCn1ncc2ccc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc21 ZINC000195731219 853782942 /nfs/dbraw/zinc/78/29/42/853782942.db2.gz WDNSYYKQTMPFBP-UHFFFAOYSA-N 0 0 421.379 4.424 20 5 HIBDRN C[C@@H](OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000212303277 853819614 /nfs/dbraw/zinc/81/96/14/853819614.db2.gz BYIAVOULDJCLHW-ZJRUKIMVSA-N 0 0 409.225 4.485 20 5 HIBDRN O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cccc([N+](=O)[O-])c1 ZINC000216810105 853858649 /nfs/dbraw/zinc/85/86/49/853858649.db2.gz DYUDYKCDWZVJTJ-UHFFFAOYSA-N 0 0 416.768 4.285 20 5 HIBDRN COc1cc(OCC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)ccc1[N+](=O)[O-] ZINC000217177886 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HIBDRN CCCN1C(=O)CCc2cc(Nc3ncc(Br)cc3[N+](=O)[O-])ccc21 ZINC000301956216 854503852 /nfs/dbraw/zinc/50/38/52/854503852.db2.gz LPVARXNBNBHNPP-UHFFFAOYSA-N 0 0 405.252 4.185 20 5 HIBDRN O=C1CCCN1CC[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)c2ccccc21 ZINC000301954332 854504244 /nfs/dbraw/zinc/50/42/44/854504244.db2.gz KLDSPANCFXDYSY-INIZCTEOSA-N 0 0 402.454 4.391 20 5 HIBDRN COc1cc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301983393 854509314 /nfs/dbraw/zinc/50/93/14/854509314.db2.gz YLNLEIRFADUTDW-UHFFFAOYSA-N 0 0 414.359 4.237 20 5 HIBDRN O=c1c(Cl)c(N2CCC[C@@H]2c2cccc(F)c2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000302001617 854513964 /nfs/dbraw/zinc/51/39/64/854513964.db2.gz WRZOKVQXJSJQHL-QGZVFWFLSA-N 0 0 414.824 4.275 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccc(Br)cc2Cl)s1 ZINC000302007174 854515798 /nfs/dbraw/zinc/51/57/98/854515798.db2.gz WEVDRMJDMLYTBU-UHFFFAOYSA-N 0 0 412.670 4.268 20 5 HIBDRN Cc1cc(N2CCCN(C(=O)CCc3ccccc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302013662 854516501 /nfs/dbraw/zinc/51/65/01/854516501.db2.gz KYAGPPIGLZANNP-UHFFFAOYSA-N 0 0 418.497 4.123 20 5 HIBDRN O=C(c1cc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000302021284 854517024 /nfs/dbraw/zinc/51/70/24/854517024.db2.gz NYCGCFJKWKAPCW-QGZVFWFLSA-N 0 0 414.893 4.175 20 5 HIBDRN COc1cc(F)c([N+](=O)[O-])c(Nc2cc(OC)c(Br)c(OC)c2)c1 ZINC000302033132 854518823 /nfs/dbraw/zinc/51/88/23/854518823.db2.gz SUFNJSXTZNAMQA-UHFFFAOYSA-N 0 0 401.188 4.266 20 5 HIBDRN C[C@H]1C[C@H](c2cccnc2)N(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000302126529 854533902 /nfs/dbraw/zinc/53/39/02/854533902.db2.gz IMPDMEKNGIPKLU-XHDPSFHLSA-N 0 0 409.227 4.182 20 5 HIBDRN C[C@@H]1C[C@@H](c2cccnc2)N(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000302126526 854534283 /nfs/dbraw/zinc/53/42/83/854534283.db2.gz IMPDMEKNGIPKLU-ABAIWWIYSA-N 0 0 409.227 4.182 20 5 HIBDRN COc1ccc(-n2c(Sc3ncc([N+](=O)[O-])cn3)nnc2-c2cccc(C)c2)cc1 ZINC000302137793 854535763 /nfs/dbraw/zinc/53/57/63/854535763.db2.gz CABHJGJSRZXEHP-UHFFFAOYSA-N 0 0 420.454 4.101 20 5 HIBDRN O=C(CNc1ccc([N+](=O)[O-])cc1OC(F)F)Nc1ccc(Br)cc1 ZINC000302146858 854537039 /nfs/dbraw/zinc/53/70/39/854537039.db2.gz IHKDRAAPHWZBOK-UHFFFAOYSA-N 0 0 416.178 4.009 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(OC(F)F)c1 ZINC000302221901 854552721 /nfs/dbraw/zinc/55/27/21/854552721.db2.gz MRHDROCKBHGIEJ-NSHDSACASA-N 0 0 406.311 4.253 20 5 HIBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000302231587 854554466 /nfs/dbraw/zinc/55/44/66/854554466.db2.gz SDCHLVHXCUWUKZ-SECBINFHSA-N 0 0 406.265 4.444 20 5 HIBDRN CN(Cc1nccn1Cc1ccccc1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000302406387 854569664 /nfs/dbraw/zinc/56/96/64/854569664.db2.gz GRZXRUGVNIIFNU-UHFFFAOYSA-N 0 0 401.264 4.239 20 5 HIBDRN Cc1cc2c(ncnc2N2CCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)s1 ZINC000302495784 854575898 /nfs/dbraw/zinc/57/58/98/854575898.db2.gz BGLTXHNAEXEQBS-UHFFFAOYSA-N 0 0 420.498 4.091 20 5 HIBDRN Cc1cc(NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302523850 854578919 /nfs/dbraw/zinc/57/89/19/854578919.db2.gz JMADJTRMTGOTOH-KBXCAEBGSA-N 0 0 410.396 4.256 20 5 HIBDRN Cc1cccc2nc(C3CCN(c4cc5c(cc4[N+](=O)[O-])CCC(=O)N5)CC3)oc21 ZINC000302513073 854579044 /nfs/dbraw/zinc/57/90/44/854579044.db2.gz UEKOZLMYSYTIPJ-UHFFFAOYSA-N 0 0 406.442 4.313 20 5 HIBDRN Cc1cccc2ncnc(Oc3cc([N+](=O)[O-])ccc3I)c12 ZINC000302567015 854586244 /nfs/dbraw/zinc/58/62/44/854586244.db2.gz WVECYENVFHKNDF-UHFFFAOYSA-N 0 0 407.167 4.243 20 5 HIBDRN COc1ccc2oc([C@H](C)Nc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)c(C)c2c1 ZINC000302664616 854600863 /nfs/dbraw/zinc/60/08/63/854600863.db2.gz PSLZHWGNAWTVGN-LBPRGKRZSA-N 0 0 404.444 4.235 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CNc3cc(C)c([N+](=O)[O-])cc3Br)cn2)n1 ZINC000302675705 854601630 /nfs/dbraw/zinc/60/16/30/854601630.db2.gz MOIVBPBOKOVPDE-UHFFFAOYSA-N 0 0 416.279 4.475 20 5 HIBDRN COc1ccc(OC)c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000302687609 854604204 /nfs/dbraw/zinc/60/42/04/854604204.db2.gz MXBQOVRLGAKYBN-UHFFFAOYSA-N 0 0 413.352 4.072 20 5 HIBDRN Cc1cc(NC2CCC(O)(c3cccnc3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302699561 854607114 /nfs/dbraw/zinc/60/71/14/854607114.db2.gz UMEUFQFVCRXXIE-UHFFFAOYSA-N 0 0 406.280 4.303 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000302704440 854609311 /nfs/dbraw/zinc/60/93/11/854609311.db2.gz BWMITBPEJUVZIG-IBGZPJMESA-N 0 0 408.458 4.401 20 5 HIBDRN COC(=O)c1cnc(NCc2ccc(-c3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 ZINC000302753366 854621742 /nfs/dbraw/zinc/62/17/42/854621742.db2.gz HZBKUCOKZQOJMH-UHFFFAOYSA-N 0 0 410.411 4.258 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302773784 854630918 /nfs/dbraw/zinc/63/09/18/854630918.db2.gz NVGFZLJMCZUNFB-NSHDSACASA-N 0 0 402.394 4.060 20 5 HIBDRN Cc1ccc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)c(-n2cc(Cl)cn2)n1 ZINC000302784269 854632802 /nfs/dbraw/zinc/63/28/02/854632802.db2.gz UMWNVJDJZYWIRP-UHFFFAOYSA-N 0 0 409.780 4.351 20 5 HIBDRN Cc1ccc(Cn2nccc2NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000302795163 854635337 /nfs/dbraw/zinc/63/53/37/854635337.db2.gz XFJJDJZPXZJVLR-UHFFFAOYSA-N 0 0 419.485 4.003 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000302810119 854642939 /nfs/dbraw/zinc/64/29/39/854642939.db2.gz MPWVSRKXOFEDRO-MRVPVSSYSA-N 0 0 423.249 4.089 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000302839469 854651165 /nfs/dbraw/zinc/65/11/65/854651165.db2.gz ZFFKMGOZKBBAOA-QGZVFWFLSA-N 0 0 403.866 4.078 20 5 HIBDRN Cc1cc(NC(=O)c2csc(-c3ccc(C)o3)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302924660 854682378 /nfs/dbraw/zinc/68/23/78/854682378.db2.gz BUCYMJGCKOBXSA-UHFFFAOYSA-N 0 0 409.427 4.366 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n(-c2ccccc2F)n1 ZINC000302925228 854683291 /nfs/dbraw/zinc/68/32/91/854683291.db2.gz BEMNOMDXCSWBQG-ZDUSSCGKSA-N 0 0 400.435 4.347 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)c2)n1 ZINC000303030128 854730866 /nfs/dbraw/zinc/73/08/66/854730866.db2.gz QURDRJXFYHBYPT-UHFFFAOYSA-N 0 0 418.375 4.346 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000303046959 854737271 /nfs/dbraw/zinc/73/72/71/854737271.db2.gz XJBZVWFIUXJIJZ-CQSZACIVSA-N 0 0 417.512 4.375 20 5 HIBDRN CC(C)NC(=O)c1ccc(NCc2ccnc(OC3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000303081493 854752421 /nfs/dbraw/zinc/75/24/21/854752421.db2.gz DJMTZGVERXAFKH-UHFFFAOYSA-N 0 0 412.490 4.452 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1Br ZINC000437334480 862606867 /nfs/dbraw/zinc/60/68/67/862606867.db2.gz FFLMULNYKJATBX-QMTHXVAHSA-N 0 0 413.630 4.436 20 5 HIBDRN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(CCc1ccccc1)c1ccccc1 ZINC000303336795 854879802 /nfs/dbraw/zinc/87/98/02/854879802.db2.gz CJXPXLKLQMCQQG-UHFFFAOYSA-N 0 0 413.437 4.065 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000303337201 854879861 /nfs/dbraw/zinc/87/98/61/854879861.db2.gz 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CCCc1[nH]nc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)c1[N+](=O)[O-] ZINC000303526181 855013171 /nfs/dbraw/zinc/01/31/71/855013171.db2.gz VVCQXXJNKOBHRO-UHFFFAOYSA-N 0 0 412.475 4.081 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)c1C ZINC000303536905 855022993 /nfs/dbraw/zinc/02/29/93/855022993.db2.gz SVTBGJOLGQRXIH-UHFFFAOYSA-N 0 0 419.503 4.305 20 5 HIBDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)Cn1c3ccccc3c(=O)c3ccccc31)CCC2 ZINC000303556996 855039012 /nfs/dbraw/zinc/03/90/12/855039012.db2.gz WWWBUSCQSQIACM-NRFANRHFSA-N 0 0 417.534 4.456 20 5 HIBDRN O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)Nc1ccccc1 ZINC000303576586 855051472 /nfs/dbraw/zinc/05/14/72/855051472.db2.gz LYRXTFCHAUPGAT-UHFFFAOYSA-N 0 0 405.410 4.146 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303669487 855121451 /nfs/dbraw/zinc/12/14/51/855121451.db2.gz JINGNMYNBVIWQP-UHFFFAOYSA-N 0 0 411.302 4.126 20 5 HIBDRN Cc1cccc(-c2ccc(CNC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000303673879 855124825 /nfs/dbraw/zinc/12/48/25/855124825.db2.gz HELQEOFHUWYPSH-QGZVFWFLSA-N 0 0 417.465 4.005 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000303708375 855144484 /nfs/dbraw/zinc/14/44/84/855144484.db2.gz PKIOWEGRENVBSW-UYAOXDASSA-N 0 0 415.534 4.183 20 5 HIBDRN O=[N+]([O-])c1c(N[C@@H]2CCN(c3ccccc3OC(F)F)C2)ccc2ncccc21 ZINC000303713285 855146546 /nfs/dbraw/zinc/14/65/46/855146546.db2.gz ZMKJTORUGBHLNO-CYBMUJFWSA-N 0 0 400.385 4.435 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000303734896 855160245 /nfs/dbraw/zinc/16/02/45/855160245.db2.gz GDCIGMYGCVEMCA-OALUTQOASA-N 0 0 414.527 4.364 20 5 HIBDRN O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303760944 855181019 /nfs/dbraw/zinc/18/10/19/855181019.db2.gz OJVCCYHHSUMABX-LEWJYISDSA-N 0 0 407.514 4.339 20 5 HIBDRN CN(CCOc1ccccc1Cl)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437361957 862649692 /nfs/dbraw/zinc/64/96/92/862649692.db2.gz ADUYWRVVIUZLOE-UHFFFAOYSA-N 0 0 402.756 4.418 20 5 HIBDRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303797552 855203837 /nfs/dbraw/zinc/20/38/37/855203837.db2.gz RRMMWHBMOXXARU-IUODEOHRSA-N 0 0 423.300 4.188 20 5 HIBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1ccc(NC(=O)C(C)C)cc1 ZINC000303831259 855230234 /nfs/dbraw/zinc/23/02/34/855230234.db2.gz LORNJOQNHOSNBM-UHFFFAOYSA-N 0 0 403.410 4.117 20 5 HIBDRN Cc1cccc2c(CCNC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c[nH]c21 ZINC000303839908 855237447 /nfs/dbraw/zinc/23/74/47/855237447.db2.gz CUANSOGQSYKTSX-UHFFFAOYSA-N 0 0 406.467 4.481 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000303859514 855254610 /nfs/dbraw/zinc/25/46/10/855254610.db2.gz GFWJKWCNTNBRTN-KDOFPFPSSA-N 0 0 402.422 4.037 20 5 HIBDRN CCn1c(SCCOc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccs1 ZINC000303864596 855258924 /nfs/dbraw/zinc/25/89/24/855258924.db2.gz HCSORHSUACRSBZ-UHFFFAOYSA-N 0 0 406.489 4.114 20 5 HIBDRN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000303893569 855274600 /nfs/dbraw/zinc/27/46/00/855274600.db2.gz ZUPZPHKHSUGDSX-KRWDZBQOSA-N 0 0 411.439 4.138 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000303965913 855326558 /nfs/dbraw/zinc/32/65/58/855326558.db2.gz QDMWKFADBJKATP-KSFYIVLOSA-N 0 0 409.486 4.388 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000437369850 862666968 /nfs/dbraw/zinc/66/69/68/862666968.db2.gz OYVSIRDDLAGQFO-FDLBOYPASA-N 0 0 414.767 4.105 20 5 HIBDRN Cc1csc([C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)n1 ZINC000304029846 855342498 /nfs/dbraw/zinc/34/24/98/855342498.db2.gz MQRWQWYAIWNSIV-OAHLLOKOSA-N 0 0 400.485 4.364 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000304045218 855344498 /nfs/dbraw/zinc/34/44/98/855344498.db2.gz OGYRMQLSVWRGDI-UHFFFAOYSA-N 0 0 422.338 4.124 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(F)c(Br)c(Cl)c2)cc1[N+](=O)[O-] ZINC000323741999 855396714 /nfs/dbraw/zinc/39/67/14/855396714.db2.gz QDLQRVUZJHUODS-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN CNc1ccc(C(=O)Nc2cccc3cc(Br)cnc32)cc1[N+](=O)[O-] ZINC000328289492 855423005 /nfs/dbraw/zinc/42/30/05/855423005.db2.gz KKLGIQYXTLYQFM-UHFFFAOYSA-N 0 0 401.220 4.200 20 5 HIBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cscc1Br ZINC000405015676 855481318 /nfs/dbraw/zinc/48/13/18/855481318.db2.gz LCCZUSGDGWHTOG-UHFFFAOYSA-N 0 0 406.055 4.434 20 5 HIBDRN CC[C@@H](NS(=O)(=O)c1cccc(-c2nc(C)cs2)c1)c1cccc([N+](=O)[O-])c1 ZINC000409498911 855510491 /nfs/dbraw/zinc/51/04/91/855510491.db2.gz JNSHYEKLCIGDJC-GOSISDBHSA-N 0 0 417.512 4.456 20 5 HIBDRN O=C(NCC1(c2ccc(F)cc2F)CC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000409528885 855524474 /nfs/dbraw/zinc/52/44/74/855524474.db2.gz JEFMRDLMPJJJMK-UHFFFAOYSA-N 0 0 417.231 4.159 20 5 HIBDRN O=C(Nc1ccc(Oc2cccnc2)nc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000409531808 855526556 /nfs/dbraw/zinc/52/65/56/855526556.db2.gz UCBWUQXRLYNSHA-UHFFFAOYSA-N 0 0 421.232 4.253 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000437383841 862698994 /nfs/dbraw/zinc/69/89/94/862698994.db2.gz LICKIPLBQGFXQO-JKSUJKDBSA-N 0 0 406.891 4.162 20 5 HIBDRN Cc1csc(-c2cccc(S(=O)(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2)n1 ZINC000409574234 855547559 /nfs/dbraw/zinc/54/75/59/855547559.db2.gz HIZUUIBUGBKZSF-CYBMUJFWSA-N 0 0 403.485 4.066 20 5 HIBDRN Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000409585985 855553735 /nfs/dbraw/zinc/55/37/35/855553735.db2.gz PPKYDLWYCXVCKA-QGZVFWFLSA-N 0 0 420.263 4.271 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc(C)c1C ZINC000409612433 855565050 /nfs/dbraw/zinc/56/50/50/855565050.db2.gz QSOVYXTYJQFVGQ-UHFFFAOYSA-N 0 0 413.249 4.075 20 5 HIBDRN COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000409678704 855598432 /nfs/dbraw/zinc/59/84/32/855598432.db2.gz MUXYRNMYRKKPAF-UHFFFAOYSA-N 0 0 424.413 4.121 20 5 HIBDRN O=C(N[C@H]1CCCC12CCOCC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000409798198 855658549 /nfs/dbraw/zinc/65/85/49/855658549.db2.gz FCALPPKADIYXDX-NRFANRHFSA-N 0 0 410.470 4.253 20 5 HIBDRN Cc1cc(-c2noc(CSCCC(=O)Nc3ccccc3[N+](=O)[O-])n2)ccc1F ZINC000409849301 855686314 /nfs/dbraw/zinc/68/63/14/855686314.db2.gz HOUJVSXNZLZEEN-UHFFFAOYSA-N 0 0 416.434 4.354 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N[C@@H]3CCOc4c(F)cccc43)cc2[N+](=O)[O-])CC1 ZINC000409860786 855692274 /nfs/dbraw/zinc/69/22/74/855692274.db2.gz IHTMMSBXSZIJKU-GOSISDBHSA-N 0 0 413.449 4.224 20 5 HIBDRN O=C(CCn1nc2c3c1cccc3C(=O)c1ccccc1-2)Nc1ccccc1[N+](=O)[O-] ZINC000409869601 855697636 /nfs/dbraw/zinc/69/76/36/855697636.db2.gz JLMXGBNZSZBELP-UHFFFAOYSA-N 0 0 412.405 4.185 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 ZINC000409888504 855707811 /nfs/dbraw/zinc/70/78/11/855707811.db2.gz REZKAPACJWDCST-CQSZACIVSA-N 0 0 420.425 4.202 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F)O[C@@H](C)C2 ZINC000409906343 855716570 /nfs/dbraw/zinc/71/65/70/855716570.db2.gz YALIYUNCYSPXMP-PJODQICGSA-N 0 0 400.406 4.198 20 5 HIBDRN Cc1c(NC(=O)c2cc3ccccc3c(=O)o2)cc(Br)cc1[N+](=O)[O-] ZINC000409967232 855750204 /nfs/dbraw/zinc/75/02/04/855750204.db2.gz YYHBEBWLXMJAKG-UHFFFAOYSA-N 0 0 403.188 4.024 20 5 HIBDRN Cc1nn(CCC(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000410003637 855773153 /nfs/dbraw/zinc/77/31/53/855773153.db2.gz ZNLQHOYPYQAPHF-UHFFFAOYSA-N 0 0 424.505 4.229 20 5 HIBDRN CCn1c(SCCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 ZINC000410057384 855804160 /nfs/dbraw/zinc/80/41/60/855804160.db2.gz YGVXHKNEVUCDCX-UHFFFAOYSA-N 0 0 415.450 4.133 20 5 HIBDRN CCOc1ccccc1CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000410062933 855805986 /nfs/dbraw/zinc/80/59/86/855805986.db2.gz TYMZAANYCLPBKY-UHFFFAOYSA-N 0 0 411.380 4.131 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000410082718 855811482 /nfs/dbraw/zinc/81/14/82/855811482.db2.gz NCAUXJFCIZYOCT-UHFFFAOYSA-N 0 0 400.500 4.183 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000410095200 855817283 /nfs/dbraw/zinc/81/72/83/855817283.db2.gz PZFMQMJWNPRMFA-UHFFFAOYSA-N 0 0 408.458 4.398 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3C[C@H](C)OC[C@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000437393314 862725053 /nfs/dbraw/zinc/72/50/53/862725053.db2.gz QPBCRMHINKKFMB-MBSDFSHPSA-N 0 0 423.513 4.433 20 5 HIBDRN Cc1nc(-c2ccc(CCNC(=O)NCc3ccccc3[N+](=O)[O-])s2)cs1 ZINC000410149913 855839551 /nfs/dbraw/zinc/83/95/51/855839551.db2.gz YCVPPRFUGKTNET-UHFFFAOYSA-N 0 0 402.501 4.130 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(OC(F)F)c3)no2)c(Br)c1 ZINC000410174513 855850497 /nfs/dbraw/zinc/85/04/97/855850497.db2.gz SZEVZCGVGYKWIV-UHFFFAOYSA-N 0 0 413.134 4.071 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000410194211 855857742 /nfs/dbraw/zinc/85/77/42/855857742.db2.gz UCLJVZJVMBEYQQ-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@@H]1CCOC1 ZINC000410238789 855875842 /nfs/dbraw/zinc/87/58/42/855875842.db2.gz WHJNAVZHANNGRW-UKRRQHHQSA-N 0 0 403.866 4.015 20 5 HIBDRN CCCn1nccc1C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000410256474 855884491 /nfs/dbraw/zinc/88/44/91/855884491.db2.gz MTDQCGNAPCESER-UHFFFAOYSA-N 0 0 422.938 4.353 20 5 HIBDRN Cc1c(NC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000410267233 855891311 /nfs/dbraw/zinc/89/13/11/855891311.db2.gz RBEAOZYXXJDKAL-UHFFFAOYSA-N 0 0 404.426 4.477 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H](C)c2ccccc2SC)cc1[N+](=O)[O-] ZINC000410290655 855907524 /nfs/dbraw/zinc/90/75/24/855907524.db2.gz MRWKYWVFGWBOQW-CYBMUJFWSA-N 0 0 406.529 4.436 20 5 HIBDRN CC(C)(C(=O)N1CCC(N2CCc3ccccc32)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000410294529 855911670 /nfs/dbraw/zinc/91/16/70/855911670.db2.gz ZKTDSBJEIZTPOL-UHFFFAOYSA-N 0 0 411.477 4.065 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2ccc(C(F)(F)F)cc2=O)cc1OC ZINC000410317475 855924727 /nfs/dbraw/zinc/92/47/27/855924727.db2.gz SCCFKAWUQRYUFO-GFCCVEGCSA-N 0 0 414.380 4.257 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc2[nH]ccc21 ZINC000425983030 856029653 /nfs/dbraw/zinc/02/96/53/856029653.db2.gz ZGEAAHUTSKJJNK-UHFFFAOYSA-N 0 0 422.422 4.239 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc2[nH]ccc21 ZINC000425981501 856030067 /nfs/dbraw/zinc/03/00/67/856030067.db2.gz YYYAMRFXYCINLY-UHFFFAOYSA-N 0 0 407.304 4.134 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000426040234 856065658 /nfs/dbraw/zinc/06/56/58/856065658.db2.gz TZXBZIQYWYUZMA-UWVGGRQHSA-N 0 0 402.398 4.500 20 5 HIBDRN CCS[C@@H]1CCC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426041733 856067207 /nfs/dbraw/zinc/06/72/07/856067207.db2.gz HEEUSISIZLJXSR-DZGCQCFKSA-N 0 0 405.442 4.477 20 5 HIBDRN CC(C)c1noc(CCCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 ZINC000426092040 856102707 /nfs/dbraw/zinc/10/27/07/856102707.db2.gz PVJNXOFPKDUIPW-UHFFFAOYSA-N 0 0 424.457 4.043 20 5 HIBDRN CN(C)c1cccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000426126992 856125179 /nfs/dbraw/zinc/12/51/79/856125179.db2.gz LCZULKBXBQJPRR-UHFFFAOYSA-N 0 0 405.454 4.170 20 5 HIBDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426237926 856195594 /nfs/dbraw/zinc/19/55/94/856195594.db2.gz MSXMMUVTBFXIHN-GFCCVEGCSA-N 0 0 401.307 4.390 20 5 HIBDRN CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCc2ccccc2C1 ZINC000426261650 856208148 /nfs/dbraw/zinc/20/81/48/856208148.db2.gz AZWWOEVXOUBTDN-QGZVFWFLSA-N 0 0 407.392 4.313 20 5 HIBDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426265322 856209929 /nfs/dbraw/zinc/20/99/29/856209929.db2.gz UJAHXYPPKNZAEG-NOZJJQNGSA-N 0 0 413.318 4.486 20 5 HIBDRN COc1cccc(Cl)c1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426272704 856213424 /nfs/dbraw/zinc/21/34/24/856213424.db2.gz ZJDCKUCCSVMSBF-UHFFFAOYSA-N 0 0 417.771 4.275 20 5 HIBDRN CCS[C@H]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426274813 856214707 /nfs/dbraw/zinc/21/47/07/856214707.db2.gz DLLGADRBJQYXMX-ZFWWWQNUSA-N 0 0 405.442 4.429 20 5 HIBDRN CC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000426279700 856217658 /nfs/dbraw/zinc/21/76/58/856217658.db2.gz ZDKAJNYSJBUCAU-CQSZACIVSA-N 0 0 421.379 4.440 20 5 HIBDRN O=C(NCc1cccc(Br)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426296375 856228172 /nfs/dbraw/zinc/22/81/72/856228172.db2.gz RNKHTTYDNIXZOF-UHFFFAOYSA-N 0 0 404.264 4.232 20 5 HIBDRN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)Cc1ccsc1 ZINC000426303096 856232844 /nfs/dbraw/zinc/23/28/44/856232844.db2.gz LANULPOZTNJSAK-LBPRGKRZSA-N 0 0 411.321 4.441 20 5 HIBDRN CCc1ccc([C@@H](NCc2cc3ccccc3n(C)c2=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000426314697 856240066 /nfs/dbraw/zinc/24/00/66/856240066.db2.gz QSLYTLZCNIVKPT-QHCPKHFHSA-N 0 0 417.465 4.481 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(C2CC2)c2ccccc21 ZINC000426328792 856248469 /nfs/dbraw/zinc/24/84/69/856248469.db2.gz DODYKJSVVYIWSK-UHFFFAOYSA-N 0 0 406.467 4.348 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1Nc1ccc(F)cc1 ZINC000426381314 856266420 /nfs/dbraw/zinc/26/64/20/856266420.db2.gz NSHPXHHADCODFO-UHFFFAOYSA-N 0 0 403.801 4.356 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)[C@@H]3OCCc4sccc43)n2)c1 ZINC000426404917 856277151 /nfs/dbraw/zinc/27/71/51/856277151.db2.gz KPEGJMLGPYJXCG-VOJFVSQTSA-N 0 0 401.444 4.056 20 5 HIBDRN CC(C)(c1nc(CC(=O)Nc2ccc(F)c(Cl)c2)no1)c1ccccc1[N+](=O)[O-] ZINC000426442146 856292133 /nfs/dbraw/zinc/29/21/33/856292133.db2.gz ZYFNPZNMLXYWAP-UHFFFAOYSA-N 0 0 418.812 4.277 20 5 HIBDRN CC(C)(c1nc(-c2cccc(OCC(F)(F)F)n2)no1)c1ccccc1[N+](=O)[O-] ZINC000426457944 856301343 /nfs/dbraw/zinc/30/13/43/856301343.db2.gz ZMTNGEVJBNAGMO-UHFFFAOYSA-N 0 0 408.336 4.307 20 5 HIBDRN COC[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000426576132 856356332 /nfs/dbraw/zinc/35/63/32/856356332.db2.gz AMOXIADOCFSIGQ-IBGZPJMESA-N 0 0 403.866 4.310 20 5 HIBDRN COC[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000426615690 856374369 /nfs/dbraw/zinc/37/43/69/856374369.db2.gz MLVKXBFDTXCNTL-LJQANCHMSA-N 0 0 403.866 4.310 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+]C[C@]3(CC(=O)[O-])CC[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000426630907 856383149 /nfs/dbraw/zinc/38/31/49/856383149.db2.gz WERQNRXLRUACOC-SPLOXXLWSA-N 0 0 402.447 4.234 20 5 HIBDRN CCc1nn(C)cc1-c1noc(-c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000426635865 856386499 /nfs/dbraw/zinc/38/64/99/856386499.db2.gz CBONPTDICSGMME-OKILXGFUSA-N 0 0 410.478 4.090 20 5 HIBDRN CC[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)CC(=O)[O-] ZINC000426637677 856387509 /nfs/dbraw/zinc/38/75/09/856387509.db2.gz FZLYJOGNAGQTAU-LLVKDONJSA-N 0 0 411.252 4.208 20 5 HIBDRN COC(=O)c1c(F)ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1C ZINC000426700305 856419517 /nfs/dbraw/zinc/41/95/17/856419517.db2.gz PSABBEHWIMDDNX-UHFFFAOYSA-N 0 0 404.397 4.168 20 5 HIBDRN O=C([O-])C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 ZINC000426704897 856422204 /nfs/dbraw/zinc/42/22/04/856422204.db2.gz UDOINBBGTKZYTI-GFCCVEGCSA-N 0 0 414.792 4.198 20 5 HIBDRN CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000426709195 856425960 /nfs/dbraw/zinc/42/59/60/856425960.db2.gz BKFVYDCPOVPFEO-BURFUSLBSA-N 0 0 401.507 4.116 20 5 HIBDRN O=C([O-])[C@@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000426736217 856442882 /nfs/dbraw/zinc/44/28/82/856442882.db2.gz IEFGZNPBNFMRMG-QGZVFWFLSA-N 0 0 417.874 4.157 20 5 HIBDRN C[C@@]1(C(=O)[O-])CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426747215 856451588 /nfs/dbraw/zinc/45/15/88/856451588.db2.gz NSHQBWOAKGRVBS-NFBKMPQASA-N 0 0 420.469 4.181 20 5 HIBDRN COC(=O)CCN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000426750451 856453823 /nfs/dbraw/zinc/45/38/23/856453823.db2.gz NIUZBRCCPPLWQT-UHFFFAOYSA-N 0 0 402.472 4.160 20 5 HIBDRN CC(C)c1ccc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426763005 856464787 /nfs/dbraw/zinc/46/47/87/856464787.db2.gz PEGJAUKUWZRJPY-KRWDZBQOSA-N 0 0 421.291 4.266 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000437427070 862801920 /nfs/dbraw/zinc/80/19/20/862801920.db2.gz LTPNTYCERYVQSY-HDJSIYSDSA-N 0 0 404.463 4.148 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000426862823 856516721 /nfs/dbraw/zinc/51/67/21/856516721.db2.gz BOZOWFQFIHXAHF-CQSZACIVSA-N 0 0 422.304 4.346 20 5 HIBDRN CC(C)[C@@H]1C[C@@H](CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000426868785 856519730 /nfs/dbraw/zinc/51/97/30/856519730.db2.gz KHNVJHSDZAONSY-FVJLSDCUSA-N 0 0 408.502 4.320 20 5 HIBDRN CC[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1OCC(=O)N(C)C ZINC000426887886 856527751 /nfs/dbraw/zinc/52/77/51/856527751.db2.gz AOABLUGEVFGGTK-SFHVURJKSA-N 0 0 408.458 4.173 20 5 HIBDRN CS(=O)(=O)c1ccc(N[C@H](COc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000426895010 856531207 /nfs/dbraw/zinc/53/12/07/856531207.db2.gz FOYJCWMATTVWMO-HXUWFJFHSA-N 0 0 412.467 4.231 20 5 HIBDRN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000426955635 856562335 /nfs/dbraw/zinc/56/23/35/856562335.db2.gz KFLVSHSFHMUYDN-MDZRGWNJSA-N 0 0 405.454 4.315 20 5 HIBDRN Cc1cc(=O)c(C(=O)N2CCC[C@@H]2CCC2CCCC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000427100639 856636092 /nfs/dbraw/zinc/63/60/92/856636092.db2.gz NEEWSBOIRALLCI-GOSISDBHSA-N 0 0 424.501 4.024 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000427109720 856643996 /nfs/dbraw/zinc/64/39/96/856643996.db2.gz WCADURRFYGEMEE-CQSZACIVSA-N 0 0 413.455 4.039 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)n1 ZINC000427114468 856646365 /nfs/dbraw/zinc/64/63/65/856646365.db2.gz MVUUHZOWWBACEM-UHFFFAOYSA-N 0 0 412.258 4.494 20 5 HIBDRN CCCn1c(C)cc(-c2csc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])n2)c1C ZINC000427115306 856647569 /nfs/dbraw/zinc/64/75/69/856647569.db2.gz UEDWKIRGOKDLBM-UHFFFAOYSA-N 0 0 402.480 4.015 20 5 HIBDRN COc1cc(CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C2CC2)ccc1OC(F)F ZINC000427118613 856649188 /nfs/dbraw/zinc/64/91/88/856649188.db2.gz ZKYLLENGBDKGJQ-UHFFFAOYSA-N 0 0 422.384 4.018 20 5 HIBDRN C[C@@H](C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1)c1ccc([N+](=O)[O-])cc1F ZINC000427187368 856700469 /nfs/dbraw/zinc/70/04/69/856700469.db2.gz QOAYZFXDRDHOPC-GFCCVEGCSA-N 0 0 401.825 4.488 20 5 HIBDRN COc1ccc(CS(=O)(=O)[C@@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000427193528 856704880 /nfs/dbraw/zinc/70/48/80/856704880.db2.gz OOULUNYYDCMDRS-NSHDSACASA-N 0 0 414.277 4.042 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)n1 ZINC000427259396 856740503 /nfs/dbraw/zinc/74/05/03/856740503.db2.gz ZNYCNOZCPLZMHL-QGZVFWFLSA-N 0 0 402.813 4.123 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)n1 ZINC000427350685 856786995 /nfs/dbraw/zinc/78/69/95/856786995.db2.gz VCSOCQQOWRKBTB-NSHDSACASA-N 0 0 424.301 4.254 20 5 HIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000427356872 856790714 /nfs/dbraw/zinc/79/07/14/856790714.db2.gz JHTHELJVFAXOLP-RYUDHWBXSA-N 0 0 409.273 4.350 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)n1 ZINC000427368417 856796889 /nfs/dbraw/zinc/79/68/89/856796889.db2.gz XTQDCNZDXBKBDK-SNVBAGLBSA-N 0 0 419.894 4.388 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)n1 ZINC000427375374 856800263 /nfs/dbraw/zinc/80/02/63/856800263.db2.gz LQUZIRVDTSSCRU-UHFFFAOYSA-N 0 0 411.289 4.360 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n1 ZINC000427376857 856801065 /nfs/dbraw/zinc/80/10/65/856801065.db2.gz UKKWZKKNJLQXDX-TZIWHRDSSA-N 0 0 404.470 4.402 20 5 HIBDRN CCc1c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cnn1CCC(C)C ZINC000427378365 856801635 /nfs/dbraw/zinc/80/16/35/856801635.db2.gz BTUAKGQHCJPNNO-HXUWFJFHSA-N 0 0 402.520 4.288 20 5 HIBDRN COc1cc(C(=O)N[C@](C)(CO)C(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427388993 856803457 /nfs/dbraw/zinc/80/34/57/856803457.db2.gz FFLHBUANVIWAFG-HXUWFJFHSA-N 0 0 422.865 4.186 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000427390366 856803804 /nfs/dbraw/zinc/80/38/04/856803804.db2.gz JKCKFBFAVNYWQO-CABCVRRESA-N 0 0 410.396 4.238 20 5 HIBDRN CCc1ccc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1[N+](=O)[O-] ZINC000427410830 856809383 /nfs/dbraw/zinc/80/93/83/856809383.db2.gz CJGYYBIKQCLJGJ-HXUWFJFHSA-N 0 0 410.861 4.462 20 5 HIBDRN O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000427432114 856817545 /nfs/dbraw/zinc/81/75/45/856817545.db2.gz QOAQVACXIJQMQV-UHFFFAOYSA-N 0 0 407.430 4.242 20 5 HIBDRN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427439337 856820909 /nfs/dbraw/zinc/82/09/09/856820909.db2.gz PSIVTILCHUVXLT-FQEVSTJZSA-N 0 0 421.844 4.381 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000427479535 856837032 /nfs/dbraw/zinc/83/70/32/856837032.db2.gz LSDYDNHFKLSEON-CYBMUJFWSA-N 0 0 410.499 4.431 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000427574978 856873900 /nfs/dbraw/zinc/87/39/00/856873900.db2.gz PXXZPDRQMZVXPT-UHFFFAOYSA-N 0 0 419.466 4.012 20 5 HIBDRN O=C(CCCc1nnc(-c2ccccc2)o1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427578053 856874855 /nfs/dbraw/zinc/87/48/55/856874855.db2.gz DSUZUBPDBADPGB-UHFFFAOYSA-N 0 0 406.442 4.159 20 5 HIBDRN O=C(CCCc1ccc(O)c(F)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427605324 856885159 /nfs/dbraw/zinc/88/51/59/856885159.db2.gz YFBOUUKHXSUUCC-UHFFFAOYSA-N 0 0 400.328 4.097 20 5 HIBDRN Cc1c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000427604672 856885338 /nfs/dbraw/zinc/88/53/38/856885338.db2.gz QKKHLJSLJQWJMO-UHFFFAOYSA-N 0 0 423.391 4.335 20 5 HIBDRN Cc1cc(C)n(-c2ccc(-c3noc(C(C)(C)c4ccccc4[N+](=O)[O-])n3)cn2)n1 ZINC000427638241 856894343 /nfs/dbraw/zinc/89/43/43/856894343.db2.gz JYYYMKQSCOCOKF-UHFFFAOYSA-N 0 0 404.430 4.168 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CC[C@@H](C)C(F)(F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000427651471 856897553 /nfs/dbraw/zinc/89/75/53/856897553.db2.gz QEPFDRAWOOJOMB-ZIAGYGMSSA-N 0 0 404.417 4.280 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@H]2c2cccc(OC)c2)n1 ZINC000427712938 856919358 /nfs/dbraw/zinc/91/93/58/856919358.db2.gz OIQLDAFWGNZQEG-DENIHFKCSA-N 0 0 420.469 4.191 20 5 HIBDRN COC(=O)c1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1Br ZINC000427728642 856925737 /nfs/dbraw/zinc/92/57/37/856925737.db2.gz WJKJVVJWQULTHT-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN COCCN(Cc1ccc(Br)s1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000427735570 856929886 /nfs/dbraw/zinc/92/98/86/856929886.db2.gz JTGKQWWGYKTAOR-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)s1 ZINC000427796862 856959364 /nfs/dbraw/zinc/95/93/64/856959364.db2.gz JYXIUURDFPRVTD-UHFFFAOYSA-N 0 0 415.496 4.072 20 5 HIBDRN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ncc1Br ZINC000427838435 856976410 /nfs/dbraw/zinc/97/64/10/856976410.db2.gz HKRBXPSWCQCJRL-UHFFFAOYSA-N 0 0 422.282 4.259 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccc(O)cc1)CC1CC1 ZINC000427884960 856993388 /nfs/dbraw/zinc/99/33/88/856993388.db2.gz VAQCMVDMWUTDBN-CYBMUJFWSA-N 0 0 404.850 4.160 20 5 HIBDRN CO[C@H](C)c1nc(CN2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cs1 ZINC000437512246 862860767 /nfs/dbraw/zinc/86/07/67/862860767.db2.gz DZBANQJGCDFKQC-CQSZACIVSA-N 0 0 424.954 4.120 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2ncc(-c3ccc(Br)cc3)o2)cc1CO ZINC000428076486 857064179 /nfs/dbraw/zinc/06/41/79/857064179.db2.gz UEQMVWJTAAYSKW-UHFFFAOYSA-N 0 0 405.204 4.084 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(COc2ccc([N+](=O)[O-])c(CO)c2)on1 ZINC000428078874 857065446 /nfs/dbraw/zinc/06/54/46/857065446.db2.gz UFPSRMLJKYVPMQ-UHFFFAOYSA-N 0 0 406.394 4.483 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(F)c3-c3nc[nH]n3)cc2[N+](=O)[O-])C1 ZINC000428236382 857122161 /nfs/dbraw/zinc/12/21/61/857122161.db2.gz HABLBXBGDWWLRJ-ZDUSSCGKSA-N 0 0 424.436 4.008 20 5 HIBDRN COc1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC)cc1Cl ZINC000437544024 862876840 /nfs/dbraw/zinc/87/68/40/862876840.db2.gz ZAHLFHXDIIELLK-UHFFFAOYSA-N 0 0 405.838 4.462 20 5 HIBDRN COC(=O)[C@@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccc(OC)c(Cl)c1 ZINC000428402600 857192220 /nfs/dbraw/zinc/19/22/20/857192220.db2.gz RXSLZEDDDQJAJQ-IBGZPJMESA-N 0 0 406.866 4.384 20 5 HIBDRN CC(C)(c1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1)C(F)(F)F ZINC000428441528 857205217 /nfs/dbraw/zinc/20/52/17/857205217.db2.gz QGLJDDYRVSVVLJ-UHFFFAOYSA-N 0 0 419.363 4.268 20 5 HIBDRN CC[C@]1(CO)CCCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000428451566 857207371 /nfs/dbraw/zinc/20/73/71/857207371.db2.gz CLDSPGJVQLAXAR-QHCPKHFHSA-N 0 0 414.502 4.167 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCOc2ccc(F)cc2C1 ZINC000428462981 857210928 /nfs/dbraw/zinc/21/09/28/857210928.db2.gz VBBCJHWAQAVZCF-UHFFFAOYSA-N 0 0 424.378 4.133 20 5 HIBDRN Cc1ccc(OCCCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c(C)c1 ZINC000428497743 857226718 /nfs/dbraw/zinc/22/67/18/857226718.db2.gz INWMNMOACLPVJN-UHFFFAOYSA-N 0 0 400.431 4.171 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CCC[C@@H]21 ZINC000428521735 857237962 /nfs/dbraw/zinc/23/79/62/857237962.db2.gz XLZPDAFBPPFTLV-JTSKRJEESA-N 0 0 416.481 4.391 20 5 HIBDRN CC(C)(C)Oc1cc(NCc2ccc(S(C)(=O)=O)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000428653876 857290382 /nfs/dbraw/zinc/29/03/82/857290382.db2.gz TURJOMIVEOUJHC-UHFFFAOYSA-N 0 0 412.895 4.441 20 5 HIBDRN CC(C)NC(=O)c1ccc(N2CCC(c3ncccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000428673375 857295045 /nfs/dbraw/zinc/29/50/45/857295045.db2.gz TYVGEPYLLYGVLP-UHFFFAOYSA-N 0 0 402.882 4.165 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N(C)Cc3cn4c(n3)CCCC4)c([N+](=O)[O-])c2)cc1 ZINC000428696705 857300642 /nfs/dbraw/zinc/30/06/42/857300642.db2.gz ZLXOEUQDKAKDAH-UHFFFAOYSA-N 0 0 419.485 4.325 20 5 HIBDRN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000428699055 857301221 /nfs/dbraw/zinc/30/12/21/857301221.db2.gz GZKMDTVKAQQVFN-AZUAARDMSA-N 0 0 421.856 4.283 20 5 HIBDRN CC[C@@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000428734317 857313825 /nfs/dbraw/zinc/31/38/25/857313825.db2.gz YZVFUWSZMRSAGG-LJQANCHMSA-N 0 0 406.891 4.386 20 5 HIBDRN CCC1(C)CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000428829296 857364489 /nfs/dbraw/zinc/36/44/89/857364489.db2.gz ZWFIJERRXUJBOM-UHFFFAOYSA-N 0 0 401.850 4.373 20 5 HIBDRN CC(C)(C)C(=O)c1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000428858738 857375164 /nfs/dbraw/zinc/37/51/64/857375164.db2.gz XLLBAMXFGLGLRL-UHFFFAOYSA-N 0 0 410.474 4.178 20 5 HIBDRN COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC(F)F)c1 ZINC000428902292 857402601 /nfs/dbraw/zinc/40/26/01/857402601.db2.gz QHEIBHFFKCHTCY-LLVKDONJSA-N 0 0 423.372 4.174 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1nnc(C2CC2)n1-c1ccccc1 ZINC000429191908 857546506 /nfs/dbraw/zinc/54/65/06/857546506.db2.gz YXLHIWNSJQDDPG-UHFFFAOYSA-N 0 0 410.455 4.299 20 5 HIBDRN CC(C)(NCC(=O)NCCc1cccc(Cl)c1Cl)c1ccccc1[N+](=O)[O-] ZINC000429227856 857564114 /nfs/dbraw/zinc/56/41/14/857564114.db2.gz AKHNUZKMDSWYBX-UHFFFAOYSA-N 0 0 410.301 4.085 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429259420 857579422 /nfs/dbraw/zinc/57/94/22/857579422.db2.gz YAXVZDXSEZDPRE-FQEVSTJZSA-N 0 0 411.502 4.182 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429261292 857580499 /nfs/dbraw/zinc/58/04/99/857580499.db2.gz FFKTZXPQCIIINK-GJZGRUSLSA-N 0 0 411.437 4.056 20 5 HIBDRN CC(C)(NCC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1ccccc1[N+](=O)[O-] ZINC000429275811 857586703 /nfs/dbraw/zinc/58/67/03/857586703.db2.gz QZVJEDSTJDIBHF-UHFFFAOYSA-N 0 0 418.497 4.217 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc3c(cc2Cl)CCC3=O)cc1OC ZINC000429504409 857702837 /nfs/dbraw/zinc/70/28/37/857702837.db2.gz PVVQEEPFLIQBCW-UHFFFAOYSA-N 0 0 404.806 4.037 20 5 HIBDRN CCCc1c(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000429626842 857805330 /nfs/dbraw/zinc/80/53/30/857805330.db2.gz PKPUZVOTVMEFOC-UHFFFAOYSA-N 0 0 411.437 4.236 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000429798863 857889746 /nfs/dbraw/zinc/88/97/46/857889746.db2.gz LBUWFYDADVAJAT-LBPRGKRZSA-N 0 0 403.236 4.115 20 5 HIBDRN CC(C)(C(=O)NCc1ccnc(OCc2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000429833027 857901578 /nfs/dbraw/zinc/90/15/78/857901578.db2.gz PFXWNCNPNWCQRX-UHFFFAOYSA-N 0 0 405.454 4.163 20 5 HIBDRN COC(=O)c1cccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1Br ZINC000429876703 857924272 /nfs/dbraw/zinc/92/42/72/857924272.db2.gz LQGXXAUYDGZQII-UHFFFAOYSA-N 0 0 421.247 4.060 20 5 HIBDRN O=C(NCc1ccccc1OC(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429930962 857954821 /nfs/dbraw/zinc/95/48/21/857954821.db2.gz XJGDJNIYPQRODJ-UHFFFAOYSA-N 0 0 419.153 4.186 20 5 HIBDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429940838 857959236 /nfs/dbraw/zinc/95/92/36/857959236.db2.gz CRLHKVNHGBQRBY-UHFFFAOYSA-N 0 0 418.247 4.267 20 5 HIBDRN Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])c2)n1 ZINC000429946020 857962644 /nfs/dbraw/zinc/96/26/44/857962644.db2.gz RPRFPIHFVMIGJE-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429973404 857976642 /nfs/dbraw/zinc/97/66/42/857976642.db2.gz VQRKVNRHOHOYLH-UHFFFAOYSA-N 0 0 421.144 4.445 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000437644718 862974860 /nfs/dbraw/zinc/97/48/60/862974860.db2.gz XHUOAULOXAHHKY-DZGCQCFKSA-N 0 0 410.257 4.266 20 5 HIBDRN Cc1cc(Br)cnc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430080850 858022476 /nfs/dbraw/zinc/02/24/76/858022476.db2.gz PBIXMUCAGJGILS-SECBINFHSA-N 0 0 414.643 4.120 20 5 HIBDRN O=C(NCCC1Cc2ccccc2C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000430111855 858036892 /nfs/dbraw/zinc/03/68/92/858036892.db2.gz VENRUTXVDXLTIP-UHFFFAOYSA-N 0 0 418.443 4.494 20 5 HIBDRN COc1cccc2c1ncc(C)c2NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000430128007 858044617 /nfs/dbraw/zinc/04/46/17/858044617.db2.gz SCQPCLHZUSPEDO-UHFFFAOYSA-N 0 0 406.442 4.313 20 5 HIBDRN COCCN(Cc1ccc(Br)s1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430238085 858093752 /nfs/dbraw/zinc/09/37/52/858093752.db2.gz QACYJPAQWFOJCS-UHFFFAOYSA-N 0 0 415.309 4.076 20 5 HIBDRN Cc1nc(CN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)c2ccc(F)cc2)cs1 ZINC000430412298 858149361 /nfs/dbraw/zinc/14/93/61/858149361.db2.gz XENIFBAUVQLJDI-UHFFFAOYSA-N 0 0 415.446 4.419 20 5 HIBDRN Cc1nc(C)c(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)s1 ZINC000430413829 858150246 /nfs/dbraw/zinc/15/02/46/858150246.db2.gz AAFSMPXWDAIPET-UHFFFAOYSA-N 0 0 404.473 4.118 20 5 HIBDRN COCCCOc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000430435195 858161323 /nfs/dbraw/zinc/16/13/23/858161323.db2.gz YAWBPTTYGWGTRI-UHFFFAOYSA-N 0 0 413.455 4.386 20 5 HIBDRN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430488775 858195476 /nfs/dbraw/zinc/19/54/76/858195476.db2.gz ZOVXRTOGGQZTBU-CYBMUJFWSA-N 0 0 424.682 4.019 20 5 HIBDRN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC000430494779 858198986 /nfs/dbraw/zinc/19/89/86/858198986.db2.gz WZIUOHKGMBGZQA-JTQLQIEISA-N 0 0 421.240 4.372 20 5 HIBDRN Cc1nc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C2CC2)n1 ZINC000430502703 858202675 /nfs/dbraw/zinc/20/26/75/858202675.db2.gz VCCLFHWDPCADAL-UHFFFAOYSA-N 0 0 412.393 4.320 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000430526520 858207370 /nfs/dbraw/zinc/20/73/70/858207370.db2.gz RMQSQYRCVSOBPY-GOSISDBHSA-N 0 0 417.893 4.054 20 5 HIBDRN Cc1cc(OCC(=O)Nc2c(-c3cccs3)nc3ccccn32)ccc1[N+](=O)[O-] ZINC000430544929 858213610 /nfs/dbraw/zinc/21/36/10/858213610.db2.gz AMGJLYBTAJZKGE-UHFFFAOYSA-N 0 0 408.439 4.297 20 5 HIBDRN Cc1ccc(-c2noc(CCC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000430544840 858213632 /nfs/dbraw/zinc/21/36/32/858213632.db2.gz HAYSDPMPEZLLGE-UHFFFAOYSA-N 0 0 412.421 4.076 20 5 HIBDRN CN1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])c2cc(Cl)ccc21 ZINC000430588582 858228865 /nfs/dbraw/zinc/22/88/65/858228865.db2.gz FDKHRARYPMIBBN-UHFFFAOYSA-N 0 0 410.655 4.107 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000430598037 858232099 /nfs/dbraw/zinc/23/20/99/858232099.db2.gz NLFDXOJSIJHNQN-FUHWJXTLSA-N 0 0 419.275 4.316 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000430635021 858243084 /nfs/dbraw/zinc/24/30/84/858243084.db2.gz UFQCLGFXLHELMJ-GFCCVEGCSA-N 0 0 415.247 4.034 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnc2ccc(Oc3ccccc3)cc2c1O ZINC000430664799 858257834 /nfs/dbraw/zinc/25/78/34/858257834.db2.gz POVHCPGMVSEFEP-UHFFFAOYSA-N 0 0 415.405 4.159 20 5 HIBDRN CSc1ccc(C(=O)Nc2c(-c3ccncc3)nc3ccccn32)cc1[N+](=O)[O-] ZINC000430667277 858258517 /nfs/dbraw/zinc/25/85/17/858258517.db2.gz MZXUIARULLLXRL-UHFFFAOYSA-N 0 0 405.439 4.279 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1cnc2ccc(Oc3ccccc3)cc2c1O ZINC000430667335 858258538 /nfs/dbraw/zinc/25/85/38/858258538.db2.gz NGQNTPVOKYCVHN-UHFFFAOYSA-N 0 0 415.405 4.159 20 5 HIBDRN CCOc1cc(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000430668103 858259745 /nfs/dbraw/zinc/25/97/45/858259745.db2.gz XAMJNYSHJBRVMO-FKIZINRSSA-N 0 0 402.422 4.195 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(F)cc2OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000430702003 858273825 /nfs/dbraw/zinc/27/38/25/858273825.db2.gz GASNFLMWLLBGAC-UHFFFAOYSA-N 0 0 402.300 4.001 20 5 HIBDRN Cc1noc(C)c1C(C)(C)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000430804110 858310461 /nfs/dbraw/zinc/31/04/61/858310461.db2.gz XMCDTBOBMWQRRB-UHFFFAOYSA-N 0 0 400.460 4.264 20 5 HIBDRN Cc1cc(OCC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)ccc1[N+](=O)[O-] ZINC000430831004 858322155 /nfs/dbraw/zinc/32/21/55/858322155.db2.gz SEGCWOGVZZQWCD-UHFFFAOYSA-N 0 0 422.825 4.232 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H](c2cccc(Br)c2)N(C)C1=O ZINC000430858059 858337866 /nfs/dbraw/zinc/33/78/66/858337866.db2.gz OIHRKHDZBMQCHA-BZNIZROVSA-N 0 0 418.247 4.054 20 5 HIBDRN O=C(NCCc1ccc(F)cc1Cl)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430910593 858367258 /nfs/dbraw/zinc/36/72/58/858367258.db2.gz VYBKREDGRXCDIM-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN CN1C(=O)N(CCc2ccc([N+](=O)[O-])cc2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000431027275 858408497 /nfs/dbraw/zinc/40/84/97/858408497.db2.gz VGWPJRFGYRECNM-MRXNPFEDSA-N 0 0 408.241 4.079 20 5 HIBDRN Cc1ccc(C)n1C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000431033008 858411683 /nfs/dbraw/zinc/41/16/83/858411683.db2.gz MWYFMCCQOQJLFF-UHFFFAOYSA-N 0 0 406.280 4.253 20 5 HIBDRN C[C@@H]1CCCN(Cc2csc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000431077734 858437259 /nfs/dbraw/zinc/43/72/59/858437259.db2.gz PUMGCYLRKRNOKD-CQSZACIVSA-N 0 0 417.535 4.340 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000431142125 858467853 /nfs/dbraw/zinc/46/78/53/858467853.db2.gz ZXXMAQBOLSVBLR-QGZVFWFLSA-N 0 0 407.239 4.403 20 5 HIBDRN COc1cc(C)ccc1OCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431176810 858487956 /nfs/dbraw/zinc/48/79/56/858487956.db2.gz DMWYPTBEVRVOHW-UHFFFAOYSA-N 0 0 409.236 4.000 20 5 HIBDRN CCCCn1ncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1CC ZINC000431180038 858490306 /nfs/dbraw/zinc/49/03/06/858490306.db2.gz FZYVKHOCHUMOSR-UHFFFAOYSA-N 0 0 409.284 4.477 20 5 HIBDRN Cc1c(NC(=O)c2ccc(O[C@H]3CCOC3)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000431181790 858491137 /nfs/dbraw/zinc/49/11/37/858491137.db2.gz SKIUEVNONVLFGF-HNNXBMFYSA-N 0 0 421.247 4.086 20 5 HIBDRN Cc1c(NC(=O)c2ccoc2Br)cc(Br)cc1[N+](=O)[O-] ZINC000431182739 858491973 /nfs/dbraw/zinc/49/19/73/858491973.db2.gz VSPLIDUCCKUULK-UHFFFAOYSA-N 0 0 404.014 4.274 20 5 HIBDRN Cc1cc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cnc2C)ccc1Br ZINC000431183523 858492929 /nfs/dbraw/zinc/49/29/29/858492929.db2.gz XZTKHQORKYWFEY-KRWDZBQOSA-N 0 0 404.264 4.346 20 5 HIBDRN COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431185146 858493851 /nfs/dbraw/zinc/49/38/51/858493851.db2.gz XGJXTHKQGVWLLI-LSDHHAIUSA-N 0 0 405.248 4.417 20 5 HIBDRN C[C@@H](NC(=O)COc1c(Br)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000431215283 858509145 /nfs/dbraw/zinc/50/91/45/858509145.db2.gz CCPRJQNJLVWJNG-SNVBAGLBSA-N 0 0 413.655 4.267 20 5 HIBDRN CN(Cc1ccc(Cl)s1)C(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000431216964 858510318 /nfs/dbraw/zinc/51/03/18/858510318.db2.gz PYBXIAAYBMAUGZ-UHFFFAOYSA-N 0 0 419.684 4.110 20 5 HIBDRN Cc1c(NC(=O)c2cccnc2C(F)(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000431238155 858522948 /nfs/dbraw/zinc/52/29/48/858522948.db2.gz SBHTUJRVPCAJGV-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431243074 858526676 /nfs/dbraw/zinc/52/66/76/858526676.db2.gz BGYARKJOYDRZQN-UHFFFAOYSA-N 0 0 421.247 4.058 20 5 HIBDRN CO[C@@](C)(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccccc1F ZINC000431255507 858534414 /nfs/dbraw/zinc/53/44/14/858534414.db2.gz BRJWYVFRISGQEO-QGZVFWFLSA-N 0 0 411.227 4.305 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCSC2(CCCCC2)C1 ZINC000431423886 858607574 /nfs/dbraw/zinc/60/75/74/858607574.db2.gz VPHAXWDASRWAGA-UHFFFAOYSA-N 0 0 406.551 4.433 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000437714960 863046857 /nfs/dbraw/zinc/04/68/57/863046857.db2.gz DNCBICRWKWVJFX-FQEVSTJZSA-N 0 0 418.444 4.482 20 5 HIBDRN O=c1c(Cl)c(N2CCC[C@@H](c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000431503377 858647278 /nfs/dbraw/zinc/64/72/78/858647278.db2.gz AQWQNMZBYNIWNV-MRXNPFEDSA-N 0 0 410.861 4.178 20 5 HIBDRN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000431565094 858671996 /nfs/dbraw/zinc/67/19/96/858671996.db2.gz OHULSMILQTUCGO-KRWDZBQOSA-N 0 0 402.472 4.083 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccc(SC)cc3)CC2)ccc1[N+](=O)[O-] ZINC000431596937 858682392 /nfs/dbraw/zinc/68/23/92/858682392.db2.gz QXQORJAZJMXJIT-UHFFFAOYSA-N 0 0 416.503 4.070 20 5 HIBDRN O=C(c1cccc(OCC(F)(F)F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000431625637 858697031 /nfs/dbraw/zinc/69/70/31/858697031.db2.gz ZIQMJSZMDCSZNN-UHFFFAOYSA-N 0 0 424.375 4.220 20 5 HIBDRN Cc1nn(CCC(=O)N2CC[C@@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000437727579 863056884 /nfs/dbraw/zinc/05/68/84/863056884.db2.gz YINWZSFGPRFJEW-XIKOKIGWSA-N 0 0 424.423 4.427 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000431735262 858773264 /nfs/dbraw/zinc/77/32/64/858773264.db2.gz HZCATPGZMDKNQD-GOSISDBHSA-N 0 0 416.909 4.447 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431777444 858806564 /nfs/dbraw/zinc/80/65/64/858806564.db2.gz BDXVVMISYHNVOK-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431837455 858834620 /nfs/dbraw/zinc/83/46/20/858834620.db2.gz LJSYZTGPVCYERV-SNVBAGLBSA-N 0 0 413.821 4.356 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000431868455 858847412 /nfs/dbraw/zinc/84/74/12/858847412.db2.gz BTRMIIDUPKTRKR-AWEZNQCLSA-N 0 0 401.463 4.216 20 5 HIBDRN CC[NH+](CC)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000431870099 858848128 /nfs/dbraw/zinc/84/81/28/858848128.db2.gz MAEORZOBNKUZMX-GOSISDBHSA-N 0 0 404.536 4.274 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc2c(c1)COC2 ZINC000431887829 858857036 /nfs/dbraw/zinc/85/70/36/858857036.db2.gz RMRLCKGFEOALJE-UHFFFAOYSA-N 0 0 412.389 4.052 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCc3ccn(C4CCCC4)n3)cc2[N+](=O)[O-])C1 ZINC000431908185 858865295 /nfs/dbraw/zinc/86/52/95/858865295.db2.gz YVGGUNQKGREBMQ-INIZCTEOSA-N 0 0 411.506 4.073 20 5 HIBDRN Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000431999510 858914772 /nfs/dbraw/zinc/91/47/72/858914772.db2.gz CZHSUMRGHYCWBK-SNVBAGLBSA-N 0 0 413.402 4.107 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000432045313 858948672 /nfs/dbraw/zinc/94/86/72/858948672.db2.gz ANBMAEJKSWJYKF-UHFFFAOYSA-N 0 0 421.494 4.325 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000432092702 858984162 /nfs/dbraw/zinc/98/41/62/858984162.db2.gz YSEUBUUDPDKSTA-OAHLLOKOSA-N 0 0 418.291 4.132 20 5 HIBDRN Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000432221408 859054670 /nfs/dbraw/zinc/05/46/70/859054670.db2.gz NTSPMDLPKJURFZ-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000432238486 859062298 /nfs/dbraw/zinc/06/22/98/859062298.db2.gz RLMLOIFHARQHRF-UHFFFAOYSA-N 0 0 406.829 4.311 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)Cn3nc(C)c4cc([N+](=O)[O-])ccc43)c2)cs1 ZINC000432243762 859064709 /nfs/dbraw/zinc/06/47/09/859064709.db2.gz ABUFVSWAPPICAU-UHFFFAOYSA-N 0 0 407.455 4.324 20 5 HIBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)cc1 ZINC000432262168 859074607 /nfs/dbraw/zinc/07/46/07/859074607.db2.gz LKRRQJCRXOHRPV-INIZCTEOSA-N 0 0 414.405 4.023 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000432273895 859079397 /nfs/dbraw/zinc/07/93/97/859079397.db2.gz FIVDSFGADACFAG-LLVKDONJSA-N 0 0 420.796 4.493 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000432308095 859096547 /nfs/dbraw/zinc/09/65/47/859096547.db2.gz QOAHPVYQHLPLCG-AWEZNQCLSA-N 0 0 400.378 4.148 20 5 HIBDRN O=C(c1ccc(Cl)cc1)N1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432328422 859105602 /nfs/dbraw/zinc/10/56/02/859105602.db2.gz XFUVFZUICVXLOA-UHFFFAOYSA-N 0 0 410.861 4.149 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000432429515 859161276 /nfs/dbraw/zinc/16/12/76/859161276.db2.gz PQCDVXZFXFZXRF-UHFFFAOYSA-N 0 0 424.226 4.095 20 5 HIBDRN O=C(NCCC1CC(O)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000432434503 859162953 /nfs/dbraw/zinc/16/29/53/859162953.db2.gz NJDPZWSRHYFEHH-UHFFFAOYSA-N 0 0 406.891 4.290 20 5 HIBDRN COc1ccc(NC(=O)N2CCC(n3c(C)nc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000432441819 859166058 /nfs/dbraw/zinc/16/60/58/859166058.db2.gz KQHVKMBPYAFGDG-UHFFFAOYSA-N 0 0 409.446 4.131 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCOC[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000432450283 859169822 /nfs/dbraw/zinc/16/98/22/859169822.db2.gz UQAFPFOZNKONTG-SWLSCSKDSA-N 0 0 420.849 4.204 20 5 HIBDRN Cc1ccc(Br)cc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432483130 859186480 /nfs/dbraw/zinc/18/64/80/859186480.db2.gz MKDOKVIDHUGWJM-UHFFFAOYSA-N 0 0 416.231 4.231 20 5 HIBDRN C[C@@H]1CC2(CCC2)CN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000432590598 859243735 /nfs/dbraw/zinc/24/37/35/859243735.db2.gz BSTLIGCHCFEKOO-LLVKDONJSA-N 0 0 409.273 4.492 20 5 HIBDRN CCOc1cc(NC(=O)N2CC(C)(C)[C@H]2c2ccncc2)c([N+](=O)[O-])cc1OCC ZINC000432629321 859262346 /nfs/dbraw/zinc/26/23/46/859262346.db2.gz CNGHQZUUZAXCIE-LJQANCHMSA-N 0 0 414.462 4.402 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432635012 859264493 /nfs/dbraw/zinc/26/44/93/859264493.db2.gz VJKZTBCUTOXMPF-OAHLLOKOSA-N 0 0 410.455 4.175 20 5 HIBDRN O=C(Nc1c(F)cccc1N1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432673538 859284876 /nfs/dbraw/zinc/28/48/76/859284876.db2.gz WVSXVDAGJOZUHF-UHFFFAOYSA-N 0 0 408.227 4.349 20 5 HIBDRN COC(=O)c1ccccc1CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000432733690 859325366 /nfs/dbraw/zinc/32/53/66/859325366.db2.gz ISDHPLUEYXCHOK-UHFFFAOYSA-N 0 0 411.458 4.176 20 5 HIBDRN O=C(c1cc2ccccc2s1)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000432923415 859432528 /nfs/dbraw/zinc/43/25/28/859432528.db2.gz SKHBHXVNGDPAMZ-UHFFFAOYSA-N 0 0 418.478 4.320 20 5 HIBDRN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432932318 859436707 /nfs/dbraw/zinc/43/67/07/859436707.db2.gz HOSXIUKZUQNCQO-NSHDSACASA-N 0 0 417.263 4.218 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000432952208 859444769 /nfs/dbraw/zinc/44/47/69/859444769.db2.gz WQEQAPGHSLSJHW-UHFFFAOYSA-N 0 0 419.279 4.466 20 5 HIBDRN CCc1cc(NC(=O)c2c(C)onc2-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000432992283 859468534 /nfs/dbraw/zinc/46/85/34/859468534.db2.gz NXCRSHPTAFAASG-UHFFFAOYSA-N 0 0 402.410 4.343 20 5 HIBDRN COc1ccc(NC(=O)CN2CC[C@@H](C(F)(F)F)c3ccccc32)c([N+](=O)[O-])c1 ZINC000433014413 859478308 /nfs/dbraw/zinc/47/83/08/859478308.db2.gz DRUZMRURTLOALO-CQSZACIVSA-N 0 0 409.364 4.098 20 5 HIBDRN O=C(Nc1n[nH]c(-c2ccncc2)n1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000433110614 859525055 /nfs/dbraw/zinc/52/50/55/859525055.db2.gz PVRZWPHDYSEVLA-UHFFFAOYSA-N 0 0 418.438 4.178 20 5 HIBDRN O=C(COc1cc(F)cc([N+](=O)[O-])c1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000433654198 859825729 /nfs/dbraw/zinc/82/57/29/859825729.db2.gz AMNMMGRGHZUYRG-MRXNPFEDSA-N 0 0 415.402 4.145 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2C(=O)COc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000433663524 859829335 /nfs/dbraw/zinc/82/93/35/859829335.db2.gz JHXDNKRMZRANCQ-HXUWFJFHSA-N 0 0 402.422 4.265 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c1[N+](=O)[O-] ZINC000433747344 859872659 /nfs/dbraw/zinc/87/26/59/859872659.db2.gz LPRGKKONZQBGNT-UHFFFAOYSA-N 0 0 406.748 4.288 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1[N+](=O)[O-] ZINC000433759013 859879834 /nfs/dbraw/zinc/87/98/34/859879834.db2.gz PEGZEVPLUZEPTQ-HXUWFJFHSA-N 0 0 420.469 4.286 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c1[N+](=O)[O-] ZINC000433771860 859885538 /nfs/dbraw/zinc/88/55/38/859885538.db2.gz VTOOZMPYTTTZHR-HNNXBMFYSA-N 0 0 424.505 4.392 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000433894412 859954021 /nfs/dbraw/zinc/95/40/21/859954021.db2.gz BKJLBSSKTALBRS-SFHVURJKSA-N 0 0 401.850 4.234 20 5 HIBDRN NC(=O)c1ccccc1Oc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000433978092 860012954 /nfs/dbraw/zinc/01/29/54/860012954.db2.gz YHUQBUBZZRIKMR-UHFFFAOYSA-N 0 0 411.801 4.392 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000433980432 860014380 /nfs/dbraw/zinc/01/43/80/860014380.db2.gz IMCGWSXTAPJCDJ-JKSUJKDBSA-N 0 0 417.893 4.048 20 5 HIBDRN CCOc1cc(NC(=O)NCCc2cc3ccccc3[nH]2)c([N+](=O)[O-])cc1OCC ZINC000433990233 860021353 /nfs/dbraw/zinc/02/13/53/860021353.db2.gz MBETXFMBUAOUDQ-UHFFFAOYSA-N 0 0 412.446 4.238 20 5 HIBDRN CN(Cc1cc(Cl)ccc1F)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000433995949 860025971 /nfs/dbraw/zinc/02/59/71/860025971.db2.gz XDMSXKFDNJMDQX-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)c(C)ccc2Cl)cc1OC ZINC000434029827 860050699 /nfs/dbraw/zinc/05/06/99/860050699.db2.gz DXLBAGVIZYPGIG-UHFFFAOYSA-N 0 0 408.838 4.151 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(OCC2CCCC2)CC1 ZINC000434165091 860159463 /nfs/dbraw/zinc/15/94/63/860159463.db2.gz VJJZRBFPVFCGMQ-UHFFFAOYSA-N 0 0 400.397 4.425 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)c1[N+](=O)[O-] ZINC000434187674 860177418 /nfs/dbraw/zinc/17/74/18/860177418.db2.gz SQSRCPXPYCEDCQ-HNNXBMFYSA-N 0 0 421.295 4.475 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000434281111 860249322 /nfs/dbraw/zinc/24/93/22/860249322.db2.gz PSBKWUVLUWEVHU-INIZCTEOSA-N 0 0 411.506 4.086 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@H](CC(F)(F)F)C1 ZINC000434289588 860255878 /nfs/dbraw/zinc/25/58/78/860255878.db2.gz UZHPZFCETXZXFD-SNVBAGLBSA-N 0 0 410.342 4.374 20 5 HIBDRN CC[C@@H](NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000434304910 860267084 /nfs/dbraw/zinc/26/70/84/860267084.db2.gz AIIGZBSCPMJCIO-HXUWFJFHSA-N 0 0 413.449 4.490 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n(C2CCOCC2)n1 ZINC000434316352 860277140 /nfs/dbraw/zinc/27/71/40/860277140.db2.gz GUWXTFZFCZMLOH-UHFFFAOYSA-N 0 0 421.457 4.447 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000434319899 860279887 /nfs/dbraw/zinc/27/98/87/860279887.db2.gz WSXNVLIATKIXJM-MLGOLLRUSA-N 0 0 420.453 4.262 20 5 HIBDRN Cc1nn(CCC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000434328790 860290694 /nfs/dbraw/zinc/29/06/94/860290694.db2.gz ZYCANYXPIACSBQ-LJQANCHMSA-N 0 0 404.898 4.499 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000434328744 860291104 /nfs/dbraw/zinc/29/11/04/860291104.db2.gz ZLAHPROGDOLISR-KSSFIOAISA-N 0 0 423.391 4.114 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCN(c2ccccc2)C1 ZINC000434361248 860311179 /nfs/dbraw/zinc/31/11/79/860311179.db2.gz VSEHOAYHWDJKEI-MRXNPFEDSA-N 0 0 416.909 4.007 20 5 HIBDRN O=C(NCCc1ccccc1Br)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000434464595 860362267 /nfs/dbraw/zinc/36/22/67/860362267.db2.gz DYUKBCUPAHRDRC-UHFFFAOYSA-N 0 0 418.291 4.274 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(n3ccc(C)n3)CC2)cc1OC ZINC000434492479 860371735 /nfs/dbraw/zinc/37/17/35/860371735.db2.gz HHJVHSWAKZSPFP-MRXNPFEDSA-N 0 0 416.522 4.370 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2csc(-c3ccsc3)n2)ccc1[N+](=O)[O-] ZINC000434640330 860442475 /nfs/dbraw/zinc/44/24/75/860442475.db2.gz JOCKSJYEYWLZDA-UHFFFAOYSA-N 0 0 424.525 4.294 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000434638936 860442644 /nfs/dbraw/zinc/44/26/44/860442644.db2.gz CRKQMPXHRCDFJZ-UHFFFAOYSA-N 0 0 403.378 4.127 20 5 HIBDRN O=c1cc(CNc2cc([N+](=O)[O-])ccc2Sc2cccs2)nc2ccccn12 ZINC000434883743 860535044 /nfs/dbraw/zinc/53/50/44/860535044.db2.gz SHEITPOOBPEBLZ-UHFFFAOYSA-N 0 0 410.480 4.428 20 5 HIBDRN CCOc1ccc(CN(CCCn2ccnc2)c2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000434941128 860565872 /nfs/dbraw/zinc/56/58/72/860565872.db2.gz ASJYPJXKPPYWAI-UHFFFAOYSA-N 0 0 415.881 4.335 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000467751283 881559334 /nfs/dbraw/zinc/55/93/34/881559334.db2.gz FNQWEWALNARLLX-CYHLAULCSA-N 0 0 400.397 4.015 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc2sc(C)nc2cc1Cl ZINC000435182017 860683395 /nfs/dbraw/zinc/68/33/95/860683395.db2.gz ICMWSLMQFSBWGF-UHFFFAOYSA-N 0 0 406.851 4.497 20 5 HIBDRN COCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@H]1CC[C@H](C)C1 ZINC000435322295 860734040 /nfs/dbraw/zinc/73/40/40/860734040.db2.gz BOFLPDCOQREWDW-FZMZJTMJSA-N 0 0 414.300 4.335 20 5 HIBDRN Cc1c(NC(=O)N(C)CCc2ccccc2O)cc(Br)cc1[N+](=O)[O-] ZINC000435323619 860734810 /nfs/dbraw/zinc/73/48/10/860734810.db2.gz NYWULKUVKCNACZ-UHFFFAOYSA-N 0 0 408.252 4.078 20 5 HIBDRN Cc1c(NC(=O)N2CCC(OCC(C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435323326 860735036 /nfs/dbraw/zinc/73/50/36/860735036.db2.gz LRWOGBYQICKBHG-UHFFFAOYSA-N 0 0 414.300 4.335 20 5 HIBDRN COC[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000435322634 860735064 /nfs/dbraw/zinc/73/50/64/860735064.db2.gz FNCJFITZECRONU-CYBMUJFWSA-N 0 0 412.240 4.076 20 5 HIBDRN Cc1c(NC(=O)NCc2ccn(C3CCCC3)n2)cc(Br)cc1[N+](=O)[O-] ZINC000435323678 860735416 /nfs/dbraw/zinc/73/54/16/860735416.db2.gz OLTBXNFCTRAKIA-UHFFFAOYSA-N 0 0 422.283 4.299 20 5 HIBDRN Cc1c(NC(=O)N2CC[C@H](CC(F)(F)F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435324409 860735756 /nfs/dbraw/zinc/73/57/56/860735756.db2.gz WJHDNAYLBXAYRG-SECBINFHSA-N 0 0 410.190 4.472 20 5 HIBDRN Cc1cnc(C(C)(C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000435326552 860737286 /nfs/dbraw/zinc/73/72/86/860737286.db2.gz DJCYKUCPHOSEKB-UHFFFAOYSA-N 0 0 413.297 4.487 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435327117 860738123 /nfs/dbraw/zinc/73/81/23/860738123.db2.gz GDWFAXDLWYHMAY-HNNXBMFYSA-N 0 0 424.299 4.308 20 5 HIBDRN Cc1c(NC(=O)N(C)CCOc2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000435329688 860741452 /nfs/dbraw/zinc/74/14/52/860741452.db2.gz QRNQMRHDAIUGKR-UHFFFAOYSA-N 0 0 408.252 4.208 20 5 HIBDRN CCc1nc(CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cs1 ZINC000435330210 860741608 /nfs/dbraw/zinc/74/16/08/860741608.db2.gz SFMUNPYKAFWLJO-UHFFFAOYSA-N 0 0 413.297 4.049 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc(Br)cc1[N+](=O)[O-] ZINC000435331167 860742447 /nfs/dbraw/zinc/74/24/47/860742447.db2.gz YXUQLBTXKXDUEI-IAOVAPTHSA-N 0 0 402.248 4.126 20 5 HIBDRN Cc1c(CC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000435332001 860743333 /nfs/dbraw/zinc/74/33/33/860743333.db2.gz JQLYJFKCPIUDTB-UHFFFAOYSA-N 0 0 412.877 4.025 20 5 HIBDRN Cc1c(NC(=O)N2CCOC[C@H]2c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000435333460 860744239 /nfs/dbraw/zinc/74/42/39/860744239.db2.gz PVCHWXMMDWAUFN-KRWDZBQOSA-N 0 0 420.263 4.271 20 5 HIBDRN COCCOc1ccc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000435334108 860744743 /nfs/dbraw/zinc/74/47/43/860744743.db2.gz WOHQKZCUUVIOCV-UHFFFAOYSA-N 0 0 424.251 4.335 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000435381408 860777224 /nfs/dbraw/zinc/77/72/24/860777224.db2.gz WFRBDLYSGZTALZ-GFCCVEGCSA-N 0 0 418.812 4.287 20 5 HIBDRN CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000435439207 860799131 /nfs/dbraw/zinc/79/91/31/860799131.db2.gz UAFSVALSCHGFEV-UHFFFAOYSA-N 0 0 402.209 4.023 20 5 HIBDRN C[S@](=O)c1ccc(CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000435455554 860804853 /nfs/dbraw/zinc/80/48/53/860804853.db2.gz WSRHMMOREHMWHR-LJAQVGFWSA-N 0 0 410.451 4.306 20 5 HIBDRN CC[C@@H]1CCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435472582 860811011 /nfs/dbraw/zinc/81/10/11/860811011.db2.gz GDLHGWIAHBUQFV-GFCCVEGCSA-N 0 0 405.501 4.147 20 5 HIBDRN CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435506947 860827197 /nfs/dbraw/zinc/82/71/97/860827197.db2.gz XXVCKMYEWHAFPI-NWDGAFQWSA-N 0 0 407.517 4.297 20 5 HIBDRN O=C(c1ccc(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000435586755 860898025 /nfs/dbraw/zinc/89/80/25/860898025.db2.gz YRPOLMQOJICQIV-SAABIXHNSA-N 0 0 415.877 4.079 20 5 HIBDRN CCc1ccnc(CNc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])c1 ZINC000435604984 860908847 /nfs/dbraw/zinc/90/88/47/860908847.db2.gz GIIMTPWIRFDZNR-UHFFFAOYSA-N 0 0 419.437 4.182 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] ZINC000435658858 860938820 /nfs/dbraw/zinc/93/88/20/860938820.db2.gz CNFMZSQVCJQEBE-UHFFFAOYSA-N 0 0 406.398 4.500 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cc(Br)ccc2NC2CC2)ccc1[N+](=O)[O-] ZINC000435754362 861032488 /nfs/dbraw/zinc/03/24/88/861032488.db2.gz DSFVCNVGBQDHFH-UHFFFAOYSA-N 0 0 420.263 4.258 20 5 HIBDRN COc1cccc(C(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)c1[N+](=O)[O-] ZINC000435805845 861072981 /nfs/dbraw/zinc/07/29/81/861072981.db2.gz BQTJOUWGBOVFEC-UHFFFAOYSA-N 0 0 407.426 4.338 20 5 HIBDRN COc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1OC ZINC000435814450 861078483 /nfs/dbraw/zinc/07/84/83/861078483.db2.gz VQMLHPHSPYXNSM-UHFFFAOYSA-N 0 0 410.376 4.229 20 5 HIBDRN COc1cccc(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000435815921 861079794 /nfs/dbraw/zinc/07/97/94/861079794.db2.gz HYCDJDACOAOERK-GFCCVEGCSA-N 0 0 411.241 4.204 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccccc2)C2Cc3ccccc3C2)c(F)c1 ZINC000467789501 881611164 /nfs/dbraw/zinc/61/11/64/881611164.db2.gz SQFGDXQCNNHDAL-UHFFFAOYSA-N 0 0 412.442 4.097 20 5 HIBDRN CCOC(=O)c1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000435821718 861087082 /nfs/dbraw/zinc/08/70/82/861087082.db2.gz HNUXAPHPXXZCDC-UHFFFAOYSA-N 0 0 404.397 4.249 20 5 HIBDRN CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435823525 861088573 /nfs/dbraw/zinc/08/85/73/861088573.db2.gz DMQGEIPXTPITJP-TZMCWYRMSA-N 0 0 419.528 4.441 20 5 HIBDRN CCOC(=O)c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000435837926 861100429 /nfs/dbraw/zinc/10/04/29/861100429.db2.gz WTWMGWTYXZDVPD-UHFFFAOYSA-N 0 0 422.387 4.389 20 5 HIBDRN C[C@H](CO)N(CC1CCC1)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000435859523 861117058 /nfs/dbraw/zinc/11/70/58/861117058.db2.gz AELNQIUGKIUHOG-OAHLLOKOSA-N 0 0 400.500 4.369 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)c1[N+](=O)[O-] ZINC000435874432 861134012 /nfs/dbraw/zinc/13/40/12/861134012.db2.gz KIVGFCJYVBWLBY-UHFFFAOYSA-N 0 0 418.409 4.082 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c1[N+](=O)[O-] ZINC000435877603 861135878 /nfs/dbraw/zinc/13/58/78/861135878.db2.gz SKEPADRVDBCOOF-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN Cc1cc(Cl)c(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1Cl ZINC000435911452 861173072 /nfs/dbraw/zinc/17/30/72/861173072.db2.gz MHLUBAUNLZMXMU-UHFFFAOYSA-N 0 0 422.224 4.116 20 5 HIBDRN O=C(NCc1c(F)cc(F)c(F)c1F)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435919335 861178786 /nfs/dbraw/zinc/17/87/86/861178786.db2.gz WVDXPZKPZYJXSA-UHFFFAOYSA-N 0 0 400.331 4.168 20 5 HIBDRN CCn1cnnc1-c1ccccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437774085 863092341 /nfs/dbraw/zinc/09/23/41/863092341.db2.gz NGSQCZAIEGXTPF-UHFFFAOYSA-N 0 0 406.446 4.070 20 5 HIBDRN CCOc1cccc2[nH]cc(CC(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)c21 ZINC000437897226 863268289 /nfs/dbraw/zinc/26/82/89/863268289.db2.gz RSLDNWXWGSHYQL-NRFANRHFSA-N 0 0 411.483 4.292 20 5 HIBDRN CCOc1cccc2[nH]cc(CC(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)c21 ZINC000437897228 863268638 /nfs/dbraw/zinc/26/86/38/863268638.db2.gz RSLDNWXWGSHYQL-OAQYLSRUSA-N 0 0 411.483 4.292 20 5 HIBDRN Cc1ccc(-c2nnco2)cc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438079862 863474710 /nfs/dbraw/zinc/47/47/10/863474710.db2.gz PUCOSJMHJVNJEM-UHFFFAOYSA-N 0 0 423.429 4.029 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438150741 863571801 /nfs/dbraw/zinc/57/18/01/863571801.db2.gz WUQBGHZIGBHRHJ-PSVSLLHZSA-N 0 0 405.248 4.040 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2)no1 ZINC000438231517 863671130 /nfs/dbraw/zinc/67/11/30/863671130.db2.gz WSJSTTCLGBMOEA-UHFFFAOYSA-N 0 0 423.429 4.029 20 5 HIBDRN CCc1ncsc1NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000438236825 863682020 /nfs/dbraw/zinc/68/20/20/863682020.db2.gz QGQLSDGHRFDROK-UHFFFAOYSA-N 0 0 424.482 4.163 20 5 HIBDRN O=C1[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN1c1cc(Cl)ccc1Cl ZINC000438239201 863688733 /nfs/dbraw/zinc/68/87/33/863688733.db2.gz YUVKCFKOKUQCIJ-CYBMUJFWSA-N 0 0 419.224 4.472 20 5 HIBDRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000438240943 863695333 /nfs/dbraw/zinc/69/53/33/863695333.db2.gz VRTGNBQDUBDTOP-UHFFFAOYSA-N 0 0 422.363 4.077 20 5 HIBDRN CC[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cccc(C(F)(F)F)c1 ZINC000438315447 863794974 /nfs/dbraw/zinc/79/49/74/863794974.db2.gz LPAAZOXQYUBATN-DOTOQJQBSA-N 0 0 422.407 4.215 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000438320374 863800256 /nfs/dbraw/zinc/80/02/56/863800256.db2.gz PYKFYIAOZVVLMK-XHDPSFHLSA-N 0 0 420.256 4.133 20 5 HIBDRN COc1cc(CN2CCC(c3nc4cccc(C)c4o3)CC2)c([N+](=O)[O-])cc1OC ZINC000438338296 863812071 /nfs/dbraw/zinc/81/20/71/863812071.db2.gz JJFKGCIWDSXBKG-UHFFFAOYSA-N 0 0 411.458 4.441 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)O[C@H](C)[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000438387541 863840996 /nfs/dbraw/zinc/84/09/96/863840996.db2.gz XDHGMBPOKZSUMF-YNEHKIRRSA-N 0 0 407.517 4.149 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000438400271 863848045 /nfs/dbraw/zinc/84/80/45/863848045.db2.gz PGRUQQZJGDRRKM-MAUKXSAKSA-N 0 0 405.376 4.242 20 5 HIBDRN Cc1c(NC(=O)C(=O)NCc2ccc(Sc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000438406026 863851751 /nfs/dbraw/zinc/85/17/51/863851751.db2.gz YAVHJIKIPPBBJU-UHFFFAOYSA-N 0 0 421.478 4.309 20 5 HIBDRN COc1ccc(Oc2ccc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cn2)cc1 ZINC000438427407 863860716 /nfs/dbraw/zinc/86/07/16/863860716.db2.gz CZQBBWDYUWIUIV-UHFFFAOYSA-N 0 0 408.414 4.455 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCS[C@@H]2CCCC[C@H]21 ZINC000438450606 863875240 /nfs/dbraw/zinc/87/52/40/863875240.db2.gz FWLYFLZHSHITGK-HUUCEWRRSA-N 0 0 404.410 4.036 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCO[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000438558662 863991628 /nfs/dbraw/zinc/99/16/28/863991628.db2.gz SAKGYVKYRNTHGH-YADHBBJMSA-N 0 0 421.453 4.250 20 5 HIBDRN O=C(Nc1ccsc1Cl)c1ccc([N+](=O)[O-])cc1I ZINC000438574435 864007432 /nfs/dbraw/zinc/00/74/32/864007432.db2.gz UIZUYVREBXHNSC-UHFFFAOYSA-N 0 0 408.604 4.167 20 5 HIBDRN COc1cnccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000438629007 864057717 /nfs/dbraw/zinc/05/77/17/864057717.db2.gz MPGYUJMVXZZWDU-HNNXBMFYSA-N 0 0 406.442 4.102 20 5 HIBDRN Cc1ccccc1-c1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 ZINC000438643760 864081301 /nfs/dbraw/zinc/08/13/01/864081301.db2.gz GCOXXDFOLMGCEU-UHFFFAOYSA-N 0 0 412.424 4.771 20 5 HIBDRN CSc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000438652982 864093673 /nfs/dbraw/zinc/09/36/73/864093673.db2.gz DNSLQRNIAQVHLR-UHFFFAOYSA-N 0 0 421.906 4.346 20 5 HIBDRN O=C(Nc1cccc(Oc2ccccn2)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000438657583 864101904 /nfs/dbraw/zinc/10/19/04/864101904.db2.gz SFONOJHZFRLJES-UHFFFAOYSA-N 0 0 419.441 4.136 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000438665417 864119117 /nfs/dbraw/zinc/11/91/17/864119117.db2.gz PVLSUFSQEUBSPP-UHFFFAOYSA-N 0 0 410.257 4.277 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCCC(C)(C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000467874102 881732442 /nfs/dbraw/zinc/73/24/42/881732442.db2.gz JYHWNJLWRNWEJY-CYBMUJFWSA-N 0 0 419.503 4.338 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438696171 864165439 /nfs/dbraw/zinc/16/54/39/864165439.db2.gz ULWLMPWENAJJGY-QZTJIDSGSA-N 0 0 414.527 4.475 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCc4cc(Br)ccc43)o2)cc1 ZINC000438719069 864202604 /nfs/dbraw/zinc/20/26/04/864202604.db2.gz DZPPHGWPLJKBQK-UHFFFAOYSA-N 0 0 415.247 4.360 20 5 HIBDRN Cc1cc(C)cc(N(C)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000438806715 864297429 /nfs/dbraw/zinc/29/74/29/864297429.db2.gz OXMZPFFEOPKCKO-UHFFFAOYSA-N 0 0 413.293 4.108 20 5 HIBDRN COc1ccc(CCN(CC(C)C)C(=O)Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000438824366 864318832 /nfs/dbraw/zinc/31/88/32/864318832.db2.gz CYPSPEIFIOCXPE-UHFFFAOYSA-N 0 0 414.502 4.190 20 5 HIBDRN Cc1c(CC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cccc1[N+](=O)[O-] ZINC000438833683 864327205 /nfs/dbraw/zinc/32/72/05/864327205.db2.gz IGLABLFSOWDPTK-UHFFFAOYSA-N 0 0 404.348 4.289 20 5 HIBDRN CCn1c(S[C@H](C(=O)OC)c2ccccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000438897725 864379669 /nfs/dbraw/zinc/37/96/69/864379669.db2.gz VJWHAXFSXPPWEF-KRWDZBQOSA-N 0 0 412.471 4.188 20 5 HIBDRN Cc1c(CC(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000438911708 864391023 /nfs/dbraw/zinc/39/10/23/864391023.db2.gz RAYCQPCBVBFGIG-UHFFFAOYSA-N 0 0 418.453 4.406 20 5 HIBDRN COc1ccc(Br)cc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438937287 864413323 /nfs/dbraw/zinc/41/33/23/864413323.db2.gz OZGYYORLZCLHCQ-UHFFFAOYSA-N 0 0 413.655 4.258 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC000438945669 864419630 /nfs/dbraw/zinc/41/96/30/864419630.db2.gz HTJSZNGPEGVSBZ-UHFFFAOYSA-N 0 0 406.891 4.322 20 5 HIBDRN COC(=O)[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000438951046 864422468 /nfs/dbraw/zinc/42/24/68/864422468.db2.gz RYMMEEKVWUXRJT-IBGZPJMESA-N 0 0 412.829 4.354 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)cc1[N+](=O)[O-] ZINC000438968214 864434085 /nfs/dbraw/zinc/43/40/85/864434085.db2.gz XIVJDZGQJIXCNE-UHFFFAOYSA-N 0 0 412.414 4.312 20 5 HIBDRN COCCOc1ccc([C@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1OC ZINC000438969810 864435482 /nfs/dbraw/zinc/43/54/82/864435482.db2.gz FFGWHDWYXLMSEA-HNNXBMFYSA-N 0 0 416.474 4.243 20 5 HIBDRN Cc1c(CC(=O)Nc2cc(Br)ccc2-n2cccn2)cccc1[N+](=O)[O-] ZINC000438980699 864442977 /nfs/dbraw/zinc/44/29/77/864442977.db2.gz ADXXGEMCQVZFOO-UHFFFAOYSA-N 0 0 415.247 4.033 20 5 HIBDRN Cc1c(CC(=O)N(Cc2cccc(Br)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000439035691 864491533 /nfs/dbraw/zinc/49/15/33/864491533.db2.gz DFXGMGPREWOFSY-UHFFFAOYSA-N 0 0 403.276 4.399 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(c2ccccc2Br)CC1 ZINC000439036735 864493962 /nfs/dbraw/zinc/49/39/62/864493962.db2.gz WVCBISZABNHACN-UHFFFAOYSA-N 0 0 403.276 4.306 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000439106045 864543087 /nfs/dbraw/zinc/54/30/87/864543087.db2.gz GXRNDLZNGZPBAV-OKILXGFUSA-N 0 0 403.866 4.423 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(OC(F)F)c1 ZINC000439105151 864543298 /nfs/dbraw/zinc/54/32/98/864543298.db2.gz HJIMFYXQGUXCJM-UHFFFAOYSA-N 0 0 414.748 4.197 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000439110713 864547648 /nfs/dbraw/zinc/54/76/48/864547648.db2.gz SZEDKJUKYNLMHR-INIZCTEOSA-N 0 0 415.837 4.129 20 5 HIBDRN Cc1nn(CCC(=O)N(C)c2ccc(C(F)(F)F)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000439124216 864559914 /nfs/dbraw/zinc/55/99/14/864559914.db2.gz OUSQMZJWCXSJEU-UHFFFAOYSA-N 0 0 404.776 4.133 20 5 HIBDRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439125966 864561733 /nfs/dbraw/zinc/56/17/33/864561733.db2.gz YFZYRZAMHOMYHB-LJQANCHMSA-N 0 0 413.499 4.180 20 5 HIBDRN COC(=O)c1cc(-c2csc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)n2)c[nH]1 ZINC000439127384 864562926 /nfs/dbraw/zinc/56/29/26/864562926.db2.gz BFHAGYAOHQXRMI-UHFFFAOYSA-N 0 0 414.443 4.209 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)cc1[N+](=O)[O-] ZINC000439127429 864562978 /nfs/dbraw/zinc/56/29/78/864562978.db2.gz BVYMSCVBIDVFTP-UHFFFAOYSA-N 0 0 420.469 4.355 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000439136971 864569133 /nfs/dbraw/zinc/56/91/33/864569133.db2.gz GVLXTWSFGPJECS-UHFFFAOYSA-N 0 0 410.348 4.463 20 5 HIBDRN C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000439137231 864569762 /nfs/dbraw/zinc/56/97/62/864569762.db2.gz RVSVCRGHUWMWRS-LLVKDONJSA-N 0 0 400.378 4.144 20 5 HIBDRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439145961 864577823 /nfs/dbraw/zinc/57/78/23/864577823.db2.gz GMINIBVRDROYBI-UHFFFAOYSA-N 0 0 403.866 4.274 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000439146954 864579343 /nfs/dbraw/zinc/57/93/43/864579343.db2.gz PATUENJTIZBLJB-UHFFFAOYSA-N 0 0 403.866 4.461 20 5 HIBDRN CC(C)n1cc(Br)cc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000439149696 864582268 /nfs/dbraw/zinc/58/22/68/864582268.db2.gz DFKFOWDKEPEEKR-UHFFFAOYSA-N 0 0 418.251 4.382 20 5 HIBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1F ZINC000439157435 864589597 /nfs/dbraw/zinc/58/95/97/864589597.db2.gz SRYZODCYAFURBS-UHFFFAOYSA-N 0 0 401.619 4.355 20 5 HIBDRN O=C(Nc1nnc(-c2ccsc2)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000439213082 864634466 /nfs/dbraw/zinc/63/44/66/864634466.db2.gz HTCAQUHNZOWCKF-UHFFFAOYSA-N 0 0 400.363 4.446 20 5 HIBDRN COc1cccc(CS(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000439220160 864637758 /nfs/dbraw/zinc/63/77/58/864637758.db2.gz BVXLVSRJGLJJAI-UHFFFAOYSA-N 0 0 412.467 4.140 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000439232246 864649348 /nfs/dbraw/zinc/64/93/48/864649348.db2.gz DYFFTZJADRLMPH-UHFFFAOYSA-N 0 0 410.451 4.021 20 5 HIBDRN Cc1c(CC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000439286939 864708572 /nfs/dbraw/zinc/70/85/72/864708572.db2.gz OPFHRBCVUYXNFE-UHFFFAOYSA-N 0 0 412.273 4.121 20 5 HIBDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000439377445 864809837 /nfs/dbraw/zinc/80/98/37/864809837.db2.gz JKIUABLPCZIAGA-CQSZACIVSA-N 0 0 413.499 4.162 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000439387346 864813914 /nfs/dbraw/zinc/81/39/14/864813914.db2.gz NRACZVOYPCUUOQ-UHFFFAOYSA-N 0 0 403.410 4.105 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439462817 864840737 /nfs/dbraw/zinc/84/07/37/864840737.db2.gz ADTBTOVEDIOKME-UHFFFAOYSA-N 0 0 410.449 4.301 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000439564671 864889486 /nfs/dbraw/zinc/88/94/86/864889486.db2.gz YJBNAMMWYOMMKD-JSGCOSHPSA-N 0 0 410.396 4.340 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2Cl)C2CCCC2)cc1[N+](=O)[O-] ZINC000439622547 864946619 /nfs/dbraw/zinc/94/66/19/864946619.db2.gz ZEGNKCLYHZLEGF-UHFFFAOYSA-N 0 0 415.877 4.467 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(-c3nc(C)co3)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000467960047 881821628 /nfs/dbraw/zinc/82/16/28/881821628.db2.gz QWJCZVDUKFXXHF-UHFFFAOYSA-N 0 0 419.340 4.421 20 5 HIBDRN Cc1coc(-c2cccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000467966066 881825079 /nfs/dbraw/zinc/82/50/79/881825079.db2.gz WBBPBPJDOQUTEE-UHFFFAOYSA-N 0 0 403.398 4.211 20 5 HIBDRN 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ZINC000441403397 866478644 /nfs/dbraw/zinc/47/86/44/866478644.db2.gz PYYWOTBCCKBTAY-UHFFFAOYSA-N 0 0 419.485 4.393 20 5 HIBDRN CCCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441445570 866522097 /nfs/dbraw/zinc/52/20/97/866522097.db2.gz GLFXEHRCSMAKAG-LJQANCHMSA-N 0 0 403.866 4.259 20 5 HIBDRN CCCN(C(=O)c1cc(COc2cccc(C(C)=O)c2)on1)c1cccc([N+](=O)[O-])c1 ZINC000441445281 866522215 /nfs/dbraw/zinc/52/22/15/866522215.db2.gz YOWMMNGIHFPJNE-UHFFFAOYSA-N 0 0 423.425 4.421 20 5 HIBDRN CCCN(C(=O)CCCc1nc(-c2ccc(OC)cc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000441458788 866533493 /nfs/dbraw/zinc/53/34/93/866533493.db2.gz QHBRRMUSMJEAAW-UHFFFAOYSA-N 0 0 424.457 4.419 20 5 HIBDRN CCCN(C(=O)c1cccc(I)c1)c1cccc([N+](=O)[O-])c1 ZINC000441486474 866567146 /nfs/dbraw/zinc/56/71/46/866567146.db2.gz MWJDDNORRNHZLC-UHFFFAOYSA-N 0 0 410.211 4.256 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000441490751 866574450 /nfs/dbraw/zinc/57/44/50/866574450.db2.gz 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868616215 /nfs/dbraw/zinc/61/62/15/868616215.db2.gz RKEGLGZMXOFFLO-INIZCTEOSA-N 0 0 411.380 4.405 20 5 HIBDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444097941 868616224 /nfs/dbraw/zinc/61/62/24/868616224.db2.gz DNQCWJUQSSZXCT-FOGNVHKLSA-N 0 0 418.518 4.252 20 5 HIBDRN CCN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H](COC)Cc1ccccc1 ZINC000444106013 868621162 /nfs/dbraw/zinc/62/11/62/868621162.db2.gz MTKIANNZDYGPOW-FQEVSTJZSA-N 0 0 414.505 4.401 20 5 HIBDRN CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444107869 868622695 /nfs/dbraw/zinc/62/26/95/868622695.db2.gz WVFDLTLFMDIDIG-IAGOWNOFSA-N 0 0 402.466 4.364 20 5 HIBDRN O=C(NC[C@@H]1SCCc2ccccc21)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444167982 868645871 /nfs/dbraw/zinc/64/58/71/868645871.db2.gz GJYAJQJSYXHQBN-QFIPXVFZSA-N 0 0 400.503 4.442 20 5 HIBDRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444177687 868652252 /nfs/dbraw/zinc/65/22/52/868652252.db2.gz ZFJWOBOHYZHTFD-WHEQGISXSA-N 0 0 414.452 4.141 20 5 HIBDRN C[C@H](O)C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 ZINC000444224801 868674968 /nfs/dbraw/zinc/67/49/68/868674968.db2.gz KDURIQXTELOSRT-DOTOQJQBSA-N 0 0 418.468 4.105 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H](c2ccsc2)O1 ZINC000444226394 868676031 /nfs/dbraw/zinc/67/60/31/868676031.db2.gz ONNMYOHWJRFCBS-LHSJRXKWSA-N 0 0 404.491 4.345 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000444232641 868681835 /nfs/dbraw/zinc/68/18/35/868681835.db2.gz BJMOPRLWSONCCY-UHFFFAOYSA-N 0 0 404.416 4.274 20 5 HIBDRN COc1cccc(C(C)(C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000444234976 868682751 /nfs/dbraw/zinc/68/27/51/868682751.db2.gz FGQVUIWDAWWQTQ-UHFFFAOYSA-N 0 0 400.478 4.398 20 5 HIBDRN CN(C)c1nc2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cc2o1 ZINC000444239057 868687183 /nfs/dbraw/zinc/68/71/83/868687183.db2.gz PYCFOYLHZYQSCC-UHFFFAOYSA-N 0 0 416.412 4.280 20 5 HIBDRN O=C(NCCc1cc2ccccc2[nH]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444238014 868687720 /nfs/dbraw/zinc/68/77/20/868687720.db2.gz MJISDQLEMBFDNR-UHFFFAOYSA-N 0 0 417.415 4.413 20 5 HIBDRN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444239193 868689663 /nfs/dbraw/zinc/68/96/63/868689663.db2.gz BZPPTURPAJQYQI-AQKFKSFVSA-N 0 0 416.427 4.275 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2c(F)cc(F)cc2C1 ZINC000444250195 868696512 /nfs/dbraw/zinc/69/65/12/868696512.db2.gz JYYRGUIBUVGCMF-UHFFFAOYSA-N 0 0 408.379 4.297 20 5 HIBDRN COc1ccc(CCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c(Cl)c1 ZINC000444249208 868696914 /nfs/dbraw/zinc/69/69/14/868696914.db2.gz SDTJEHPYRJDKIM-UHFFFAOYSA-N 0 0 424.859 4.455 20 5 HIBDRN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444255165 868700630 /nfs/dbraw/zinc/70/06/30/868700630.db2.gz XXQRWIYWOWDLMK-XORNHQRDSA-N 0 0 416.427 4.418 20 5 HIBDRN COc1cccc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c1[N+](=O)[O-] ZINC000444266857 868705658 /nfs/dbraw/zinc/70/56/58/868705658.db2.gz MIEVHYJFLKDYHE-UHFFFAOYSA-N 0 0 424.482 4.142 20 5 HIBDRN COc1cc2c(cc1F)CN(C(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)CC2 ZINC000444293840 868724673 /nfs/dbraw/zinc/72/46/73/868724673.db2.gz XKLCBXVOYFHEHB-UHFFFAOYSA-N 0 0 420.415 4.167 20 5 HIBDRN CCc1n[nH]c(C(=O)NC(CCc2ccccc2)CCc2ccccc2)c1[N+](=O)[O-] ZINC000444301833 868732837 /nfs/dbraw/zinc/73/28/37/868732837.db2.gz HEAZJJBZTBDIFJ-UHFFFAOYSA-N 0 0 406.486 4.244 20 5 HIBDRN O=C(NCc1cc(Cl)cc2c1OCC2)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444309220 868740239 /nfs/dbraw/zinc/74/02/39/868740239.db2.gz FUCLBMYLIVBDPD-UHFFFAOYSA-N 0 0 422.843 4.339 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](C2CCCCC2)C1 ZINC000444312509 868743210 /nfs/dbraw/zinc/74/32/10/868743210.db2.gz MAMWXMSOTRELRT-FQEVSTJZSA-N 0 0 408.473 4.242 20 5 HIBDRN COc1cccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1[N+](=O)[O-] ZINC000444319568 868750607 /nfs/dbraw/zinc/75/06/07/868750607.db2.gz CWKACDWIVZUOSZ-UHFFFAOYSA-N 0 0 417.874 4.353 20 5 HIBDRN COCC[C@H]1CCCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444321839 868751754 /nfs/dbraw/zinc/75/17/54/868751754.db2.gz ULKGUKCFOCFPSW-CQSZACIVSA-N 0 0 414.452 4.238 20 5 HIBDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000444343088 868772351 /nfs/dbraw/zinc/77/23/51/868772351.db2.gz MKZMJVMNDAMHGX-UHFFFAOYSA-N 0 0 417.437 4.000 20 5 HIBDRN CCc1n[nH]c(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000444353617 868781585 /nfs/dbraw/zinc/78/15/85/868781585.db2.gz UGVYDLOUNGNKTE-DZGCQCFKSA-N 0 0 410.396 4.307 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)CC3(c4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000444366830 868794145 /nfs/dbraw/zinc/79/41/45/868794145.db2.gz RVJQKROBEBBBNA-UHFFFAOYSA-N 0 0 418.497 4.260 20 5 HIBDRN O=C(Nc1ccc(OC2COC2)cc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000444531029 868870473 /nfs/dbraw/zinc/87/04/73/868870473.db2.gz HRBLHXLDWVBKTM-UHFFFAOYSA-N 0 0 405.410 4.368 20 5 HIBDRN O=C(NCc1ccc2c(n1)CCCC2)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444545451 868876742 /nfs/dbraw/zinc/87/67/42/868876742.db2.gz LHAVVEZRVRPMRP-UHFFFAOYSA-N 0 0 401.441 4.024 20 5 HIBDRN O=C(CCCOc1cccc(Cl)c1Cl)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444637019 868922912 /nfs/dbraw/zinc/92/29/12/868922912.db2.gz OTISOMQQFSELGA-UHFFFAOYSA-N 0 0 423.256 4.253 20 5 HIBDRN C[C@H]1CCC[C@@H](OCCCCCC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444639648 868925590 /nfs/dbraw/zinc/92/55/90/868925590.db2.gz ZMSMRXFDPWYKTJ-DOTOQJQBSA-N 0 0 402.495 4.243 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CN(CCCO)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000444658122 868934852 /nfs/dbraw/zinc/93/48/52/868934852.db2.gz AKBNQBAKYLTDSK-UHFFFAOYSA-N 0 0 416.481 4.445 20 5 HIBDRN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2n1C(F)F ZINC000444683600 868958881 /nfs/dbraw/zinc/95/88/81/868958881.db2.gz YOBAZFIINHKWBI-JTQLQIEISA-N 0 0 423.807 4.282 20 5 HIBDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000444699758 868963951 /nfs/dbraw/zinc/96/39/51/868963951.db2.gz DYYQYDYVENNZFO-FZKQIMNGSA-N 0 0 414.849 4.260 20 5 HIBDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000444716197 868972423 /nfs/dbraw/zinc/97/24/23/868972423.db2.gz OPNUTFSUINDDCB-KZULUSFZSA-N 0 0 424.284 4.302 20 5 HIBDRN O=C(Cn1ccc2ccccc2c1=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000468318834 882249547 /nfs/dbraw/zinc/24/95/47/882249547.db2.gz IAPLLVUCOZWYFX-UHFFFAOYSA-N 0 0 413.433 4.143 20 5 HIBDRN COc1cc(C(=O)N[C@@H](CO)C(C)(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444756926 868988253 /nfs/dbraw/zinc/98/82/53/868988253.db2.gz SHQUOTPMDXFVTR-SFHVURJKSA-N 0 0 422.865 4.186 20 5 HIBDRN COc1cc(C(=O)N[C@H](CO)C(C)(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444756924 868988508 /nfs/dbraw/zinc/98/85/08/868988508.db2.gz SHQUOTPMDXFVTR-GOSISDBHSA-N 0 0 422.865 4.186 20 5 HIBDRN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000444814245 869027061 /nfs/dbraw/zinc/02/70/61/869027061.db2.gz SUIBIEOXHFIYIH-BDJLRTHQSA-N 0 0 422.762 4.020 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC=C(c2ccc(F)cc2)CC1 ZINC000444825777 869035019 /nfs/dbraw/zinc/03/50/19/869035019.db2.gz KLBJSJBIWZEDGS-UHFFFAOYSA-N 0 0 411.252 4.487 20 5 HIBDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000444831040 869038086 /nfs/dbraw/zinc/03/80/86/869038086.db2.gz XUMKYVMANIHPGS-UHFFFAOYSA-N 0 0 421.219 4.292 20 5 HIBDRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444913160 869099698 /nfs/dbraw/zinc/09/96/98/869099698.db2.gz OQFGIVOOEJNXJK-HNNXBMFYSA-N 0 0 422.489 4.480 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000444920393 869104752 /nfs/dbraw/zinc/10/47/52/869104752.db2.gz KFTLCDQBRUTMDB-LLVKDONJSA-N 0 0 413.352 4.427 20 5 HIBDRN CC(C)[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1Cl ZINC000444966555 869132337 /nfs/dbraw/zinc/13/23/37/869132337.db2.gz OMJHINGEVHOHFV-GOSISDBHSA-N 0 0 401.854 4.321 20 5 HIBDRN COc1ccc(CNC(=O)N2C[C@@H](c3ccccc3)c3ccccc32)cc1[N+](=O)[O-] ZINC000444981915 869142180 /nfs/dbraw/zinc/14/21/80/869142180.db2.gz RJOWRMJXIRLNPK-IBGZPJMESA-N 0 0 403.438 4.465 20 5 HIBDRN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444989688 869147001 /nfs/dbraw/zinc/14/70/01/869147001.db2.gz HKALQDJQJPKUFR-QGZVFWFLSA-N 0 0 400.434 4.101 20 5 HIBDRN CN(c1ccccc1)C1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000444993785 869149133 /nfs/dbraw/zinc/14/91/33/869149133.db2.gz BIHVMGXFKJBBBC-UHFFFAOYSA-N 0 0 411.505 4.422 20 5 HIBDRN O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445000933 869155418 /nfs/dbraw/zinc/15/54/18/869155418.db2.gz QXERPDRTHFGHLN-UHFFFAOYSA-N 0 0 416.387 4.602 20 5 HIBDRN O=C(NCc1nc(C(F)(F)F)cs1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445005668 869158651 /nfs/dbraw/zinc/15/86/51/869158651.db2.gz MBNVFMNJFHEBPY-UHFFFAOYSA-N 0 0 403.385 4.087 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1[N+](=O)[O-] ZINC000445020353 869170102 /nfs/dbraw/zinc/17/01/02/869170102.db2.gz NSSQQBZNDHHLLG-CQSZACIVSA-N 0 0 401.422 4.389 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1ncon1 ZINC000468339881 882274352 /nfs/dbraw/zinc/27/43/52/882274352.db2.gz DEKHEFPMTWFAMT-SNVBAGLBSA-N 0 0 404.835 4.273 20 5 HIBDRN CC(C)(C)c1nc(CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cs1 ZINC000445133432 869234238 /nfs/dbraw/zinc/23/42/38/869234238.db2.gz HSSUAMQCKBCSKB-UHFFFAOYSA-N 0 0 405.523 4.408 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445132829 869234514 /nfs/dbraw/zinc/23/45/14/869234514.db2.gz HPFOFGFJPXMCJQ-PSLXWICFSA-N 0 0 404.441 4.326 20 5 HIBDRN O=C(N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445149417 869244481 /nfs/dbraw/zinc/24/44/81/869244481.db2.gz KWWSGDLJUDABCQ-AWEZNQCLSA-N 0 0 415.755 4.249 20 5 HIBDRN Cc1ccc(-c2ncccc2NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000445161982 869250127 /nfs/dbraw/zinc/25/01/27/869250127.db2.gz RYPSCEFJAIUQQY-UHFFFAOYSA-N 0 0 408.443 4.225 20 5 HIBDRN COc1cc(OCC(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000468344619 882280027 /nfs/dbraw/zinc/28/00/27/882280027.db2.gz VCDMCQJDCJOLKV-IBGZPJMESA-N 0 0 408.401 4.164 20 5 HIBDRN O=C(NCc1cc(Br)cs1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445171865 869258232 /nfs/dbraw/zinc/25/82/32/869258232.db2.gz IFONYBVURLRRJJ-UHFFFAOYSA-N 0 0 413.296 4.435 20 5 HIBDRN O=C(NCCCOc1cccc2cccnc21)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445172911 869258387 /nfs/dbraw/zinc/25/83/87/869258387.db2.gz MCPWDERNSCVZOS-UHFFFAOYSA-N 0 0 423.472 4.428 20 5 HIBDRN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000445216909 869280606 /nfs/dbraw/zinc/28/06/06/869280606.db2.gz UATSOBJGOBPKQN-SANMLTNESA-N 0 0 410.473 4.343 20 5 HIBDRN Cc1ccc(F)c(-c2cc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)n[nH]2)c1 ZINC000445224091 869284344 /nfs/dbraw/zinc/28/43/44/869284344.db2.gz WVDGBCKXNJAMKV-UHFFFAOYSA-N 0 0 412.424 4.771 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3ccc4nsnc4c3)n2)c(Br)c1 ZINC000445235635 869290988 /nfs/dbraw/zinc/29/09/88/869290988.db2.gz OUIXRGPTYORSHY-UHFFFAOYSA-N 0 0 418.232 4.003 20 5 HIBDRN CC(C)Cn1ccc2cc(NC(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)ccc21 ZINC000445245113 869301585 /nfs/dbraw/zinc/30/15/85/869301585.db2.gz SUWNTVBLRWMMOE-UHFFFAOYSA-N 0 0 406.446 4.404 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000445244539 869301803 /nfs/dbraw/zinc/30/18/03/869301803.db2.gz QUNSYWKFGYMLCT-UHFFFAOYSA-N 0 0 408.443 4.280 20 5 HIBDRN CC[C@H](c1noc(CCn2cc([N+](=O)[O-])nc2C)n1)c1ccc(Br)cc1 ZINC000445256937 869309878 /nfs/dbraw/zinc/30/98/78/869309878.db2.gz DUGHBJIYMNCNGB-AWEZNQCLSA-N 0 0 420.267 4.030 20 5 HIBDRN CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000445270971 869317320 /nfs/dbraw/zinc/31/73/20/869317320.db2.gz 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RPGIJVMGFFTIQI-UHFFFAOYSA-N 0 0 417.878 4.099 20 5 HIBDRN COC[C@H](C)CC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000446176352 870114542 /nfs/dbraw/zinc/11/45/42/870114542.db2.gz WGJTWEDKBWSGAG-GFCCVEGCSA-N 0 0 410.829 4.468 20 5 HIBDRN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000446204952 870137660 /nfs/dbraw/zinc/13/76/60/870137660.db2.gz HTLZRBBDNCGHDJ-OAQYLSRUSA-N 0 0 410.861 4.219 20 5 HIBDRN CCCOc1ccc(C(=O)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000446228980 870167098 /nfs/dbraw/zinc/16/70/98/870167098.db2.gz SGWVXXVIJVXGBL-UHFFFAOYSA-N 0 0 414.461 4.083 20 5 HIBDRN Cc1ccc(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OCC2CC2)c1 ZINC000446297759 870225368 /nfs/dbraw/zinc/22/53/68/870225368.db2.gz IPZIGYZTNIFPRD-UHFFFAOYSA-N 0 0 420.469 4.023 20 5 HIBDRN Cc1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(OCC(F)(F)F)c1 ZINC000446333165 870247005 /nfs/dbraw/zinc/24/70/05/870247005.db2.gz QOLZJPWEAOEVCC-UHFFFAOYSA-N 0 0 402.756 4.428 20 5 HIBDRN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c(OC(C)C)c1 ZINC000446407086 870311594 /nfs/dbraw/zinc/31/15/94/870311594.db2.gz UDWSZPXWJUIPDB-UHFFFAOYSA-N 0 0 407.264 4.383 20 5 HIBDRN COc1ccc(OC)c(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000446426708 870342577 /nfs/dbraw/zinc/34/25/77/870342577.db2.gz UAZWNCKSNULCLQ-UHFFFAOYSA-N 0 0 408.410 4.443 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cc(-n2cccn2)ccn1 ZINC000446431340 870349749 /nfs/dbraw/zinc/34/97/49/870349749.db2.gz MRUACXXYLAUGLW-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000446435359 870353581 /nfs/dbraw/zinc/35/35/81/870353581.db2.gz XUSZBVSZRZHSSY-IBGZPJMESA-N 0 0 410.861 4.079 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1cccc(Br)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446441523 870360105 /nfs/dbraw/zinc/36/01/05/870360105.db2.gz AWVLRERFALUKKE-MSOLQXFVSA-N 0 0 401.260 4.046 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccccc2F)C2CCCC2)cc([N+](=O)[O-])c1OC ZINC000446441068 870360417 /nfs/dbraw/zinc/36/04/17/870360417.db2.gz REHAEOUZKNAYKT-IBGZPJMESA-N 0 0 402.422 4.412 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000446488448 870400645 /nfs/dbraw/zinc/40/06/45/870400645.db2.gz MTKOAVYLGFLNES-KKSFZXQISA-N 0 0 413.474 4.350 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000446489224 870402846 /nfs/dbraw/zinc/40/28/46/870402846.db2.gz WDYMVEZFTGAUCF-ZDUSSCGKSA-N 0 0 408.380 4.322 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000446490193 870404380 /nfs/dbraw/zinc/40/43/80/870404380.db2.gz JJXYBRJPGYMZSG-GJZGRUSLSA-N 0 0 417.893 4.493 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000446495436 870411277 /nfs/dbraw/zinc/41/12/77/870411277.db2.gz OXFMGDRTTVRAGY-HNNXBMFYSA-N 0 0 402.882 4.467 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000446498756 870416480 /nfs/dbraw/zinc/41/64/80/870416480.db2.gz 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CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446900268 870818746 /nfs/dbraw/zinc/81/87/46/870818746.db2.gz NXGHKYGPDIHMQU-KRWDZBQOSA-N 0 0 409.490 4.332 20 5 HIBDRN COc1cc(Oc2ccccc2)ccc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000446907620 870825443 /nfs/dbraw/zinc/82/54/43/870825443.db2.gz XLYGFASRQWVTJN-UHFFFAOYSA-N 0 0 423.425 4.455 20 5 HIBDRN Cc1cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1NC(=O)c1ccco1 ZINC000446909130 870825549 /nfs/dbraw/zinc/82/55/49/870825549.db2.gz VNJCWKCKUDCFBY-UHFFFAOYSA-N 0 0 420.425 4.339 20 5 HIBDRN CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446935459 870845459 /nfs/dbraw/zinc/84/54/59/870845459.db2.gz FIKDTVASJRZANG-UHFFFAOYSA-N 0 0 414.814 4.149 20 5 HIBDRN CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446939040 870849875 /nfs/dbraw/zinc/84/98/75/870849875.db2.gz LIDYTMNQJYOBLA-UHFFFAOYSA-N 0 0 408.785 4.088 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)c(C(F)(F)F)c1 ZINC000446948790 870856625 /nfs/dbraw/zinc/85/66/25/870856625.db2.gz CPOBYBXFSGJJPZ-UHFFFAOYSA-N 0 0 422.331 4.033 20 5 HIBDRN CSc1ccccc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447008922 870890204 /nfs/dbraw/zinc/89/02/04/870890204.db2.gz XNESDSNTGPDATH-UHFFFAOYSA-N 0 0 406.407 4.161 20 5 HIBDRN Cc1nc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])sc1Cc1ccc(F)cc1F ZINC000447012363 870891516 /nfs/dbraw/zinc/89/15/16/870891516.db2.gz CEVXVLYEABUSSR-UHFFFAOYSA-N 0 0 421.429 4.328 20 5 HIBDRN Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000447019310 870895881 /nfs/dbraw/zinc/89/58/81/870895881.db2.gz WMVCZGQVPYDLRZ-INIZCTEOSA-N 0 0 414.405 4.448 20 5 HIBDRN Cc1ccc(C[C@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000447038076 870914456 /nfs/dbraw/zinc/91/44/56/870914456.db2.gz KEZQZWZCAPZBLQ-ZDUSSCGKSA-N 0 0 416.421 4.174 20 5 HIBDRN Cc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(-c2nc(C3CC3)no2)c1 ZINC000447046804 870924133 /nfs/dbraw/zinc/92/41/33/870924133.db2.gz ILYWCBDKAWPRGC-UHFFFAOYSA-N 0 0 419.441 4.421 20 5 HIBDRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000447056886 870936429 /nfs/dbraw/zinc/93/64/29/870936429.db2.gz AKWZSSXWKNQBQD-GDLZYMKVSA-N 0 0 415.515 4.232 20 5 HIBDRN CCOC(=O)c1ccnc(NCc2ccc(C)cc2OCC(F)(F)F)c1[N+](=O)[O-] ZINC000447065592 870945229 /nfs/dbraw/zinc/94/52/29/870945229.db2.gz BLPLXFMPZZNBAS-UHFFFAOYSA-N 0 0 413.352 4.028 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CNc2cc(-c3cccnc3)nn2CCO)s1 ZINC000447084123 870974883 /nfs/dbraw/zinc/97/48/83/870974883.db2.gz DBVMIRGFHAWMEB-UHFFFAOYSA-N 0 0 421.482 4.186 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)NC2(c3c(Cl)cccc3Cl)CCC2)cc1[N+](=O)[O-] ZINC000447465590 871356771 /nfs/dbraw/zinc/35/67/71/871356771.db2.gz YYXVHTFSZBIMJH-UHFFFAOYSA-N 0 0 422.268 4.344 20 5 HIBDRN Cc1sc(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc1C(C)C ZINC000447524432 871388457 /nfs/dbraw/zinc/38/84/57/871388457.db2.gz QDXCPNFMEUCDRR-UHFFFAOYSA-N 0 0 403.504 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ZINC000447686910 871619054 /nfs/dbraw/zinc/61/90/54/871619054.db2.gz GYQBMSFOEQRVOZ-UHFFFAOYSA-N 0 0 407.343 4.114 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCN(Cc2cccs2)CC1 ZINC000447686603 871619467 /nfs/dbraw/zinc/61/94/67/871619467.db2.gz RGQUHCOHCVNFCX-UHFFFAOYSA-N 0 0 422.379 4.028 20 5 HIBDRN Cc1ccc2[nH]c(CNc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])nc2c1 ZINC000447688048 871622044 /nfs/dbraw/zinc/62/20/44/871622044.db2.gz WKIBGQYBSYXUKI-UHFFFAOYSA-N 0 0 401.295 4.441 20 5 HIBDRN Cc1cc(N2CCC(Oc3ccncc3C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000447692056 871628050 /nfs/dbraw/zinc/62/80/50/871628050.db2.gz YGNWCYYEOMJWFW-UHFFFAOYSA-N 0 0 405.458 4.111 20 5 HIBDRN C[C@@H]1Oc2ccc(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])cc2NC1=O ZINC000447692908 871629200 /nfs/dbraw/zinc/62/92/00/871629200.db2.gz JPUKDJCDJLPMFZ-ZETCQYMHSA-N 0 0 418.278 4.107 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000447693892 871632032 /nfs/dbraw/zinc/63/20/32/871632032.db2.gz 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Cc1cccc(C)c1-n1nnnc1SCc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000448100459 871941739 /nfs/dbraw/zinc/94/17/39/871941739.db2.gz CWIWHOIUXABINB-UHFFFAOYSA-N 0 0 409.393 4.498 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000448102375 871947350 /nfs/dbraw/zinc/94/73/50/871947350.db2.gz JXCGACXCLNUGRW-UHFFFAOYSA-N 0 0 414.468 4.034 20 5 HIBDRN Cc1ccc(C2=NN(C(=O)CSc3ccc([N+](=O)[O-])cn3)[C@@H](c3ccco3)C2)cc1 ZINC000448113543 871963245 /nfs/dbraw/zinc/96/32/45/871963245.db2.gz ZDQPRVDFVNHGDC-GOSISDBHSA-N 0 0 422.466 4.361 20 5 HIBDRN O=c1c(Cl)cc(C(F)(F)F)cn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000448115714 871971195 /nfs/dbraw/zinc/97/11/95/871971195.db2.gz GTYABGCJPKGGLM-UHFFFAOYSA-N 0 0 400.662 4.496 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)s1 ZINC000448169278 872044136 /nfs/dbraw/zinc/04/41/36/872044136.db2.gz RDKGCSWRLHVVPI-UHFFFAOYSA-N 0 0 418.949 4.255 20 5 HIBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCN(C2CC2)c2cc(F)ccc21 ZINC000448398382 872345743 /nfs/dbraw/zinc/34/57/43/872345743.db2.gz SQPWRQYQTSFDJQ-UHFFFAOYSA-N 0 0 409.339 4.382 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000448449654 872394951 /nfs/dbraw/zinc/39/49/51/872394951.db2.gz WZAJYBFMVDIBKX-UHFFFAOYSA-N 0 0 415.352 4.468 20 5 HIBDRN Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000448453670 872401081 /nfs/dbraw/zinc/40/10/81/872401081.db2.gz AZOGXCQYCCSIJC-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000448457207 872410245 /nfs/dbraw/zinc/41/02/45/872410245.db2.gz QPJWQWTXTXAXEH-UHFFFAOYSA-N 0 0 420.347 4.462 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000468561467 882616791 /nfs/dbraw/zinc/61/67/91/882616791.db2.gz UXRMLBVCKHFIEA-CQSZACIVSA-N 0 0 412.446 4.247 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)c1 ZINC000460111667 872578251 /nfs/dbraw/zinc/57/82/51/872578251.db2.gz 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CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)s1 ZINC000460301674 872891099 /nfs/dbraw/zinc/89/10/99/872891099.db2.gz ZTIRYPVRTCELMJ-ZDUSSCGKSA-N 0 0 400.508 4.398 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cc1[N+](=O)[O-] ZINC000460322846 872918116 /nfs/dbraw/zinc/91/81/16/872918116.db2.gz AQMIJQKHXDPDDC-UHFFFAOYSA-N 0 0 419.368 4.095 20 5 HIBDRN Cc1ccc2nc(CNC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cn2c1 ZINC000460325209 872922789 /nfs/dbraw/zinc/92/27/89/872922789.db2.gz IAKJGRHBYXBZMO-UHFFFAOYSA-N 0 0 416.437 4.060 20 5 HIBDRN Cc1cnc([C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)s1 ZINC000460328184 872931184 /nfs/dbraw/zinc/93/11/84/872931184.db2.gz OXDFUPYSVJBKQB-OAHLLOKOSA-N 0 0 400.485 4.364 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCSc3ncccc32)cc1[N+](=O)[O-])c1ccccn1 ZINC000460357248 872982509 /nfs/dbraw/zinc/98/25/09/872982509.db2.gz GASPOCMJXUKQKH-CQSZACIVSA-N 0 0 421.482 4.310 20 5 HIBDRN 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/nfs/dbraw/zinc/08/92/93/874089293.db2.gz FXASRUIZBXKBFY-VQTJNVASSA-N 0 0 411.506 4.191 20 5 HIBDRN COc1cc(OC)cc(-c2cccc(NCc3cc(OC)c(O)cc3[N+](=O)[O-])n2)c1 ZINC000461196801 874195121 /nfs/dbraw/zinc/19/51/21/874195121.db2.gz MPZFSOJWBSUBFI-UHFFFAOYSA-N 0 0 411.414 4.000 20 5 HIBDRN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000461305431 874311304 /nfs/dbraw/zinc/31/13/04/874311304.db2.gz DSMBVRPBZLEKDD-QGZVFWFLSA-N 0 0 422.510 4.459 20 5 HIBDRN CSCCCN(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1 ZINC000461320617 874329721 /nfs/dbraw/zinc/32/97/21/874329721.db2.gz IBENHBSYUGTSLS-UHFFFAOYSA-N 0 0 403.533 4.152 20 5 HIBDRN CCC1(O)CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000461324180 874335359 /nfs/dbraw/zinc/33/53/59/874335359.db2.gz QOBRXEBXDAHCAP-UHFFFAOYSA-N 0 0 400.500 4.432 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCc1cccc(C(F)(F)F)c1 ZINC000468697991 882819096 /nfs/dbraw/zinc/81/90/96/882819096.db2.gz BZUBIOYSSJTOLP-UHFFFAOYSA-N 0 0 402.394 4.062 20 5 HIBDRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461388729 874395659 /nfs/dbraw/zinc/39/56/59/874395659.db2.gz QPNBOSSPOKBLNC-CYBMUJFWSA-N 0 0 408.376 4.213 20 5 HIBDRN O=C(c1ccc(Br)c(Cl)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461395378 874402625 /nfs/dbraw/zinc/40/26/25/874402625.db2.gz FABZNRMNUVDQOJ-UHFFFAOYSA-N 0 0 411.639 4.046 20 5 HIBDRN COc1cc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2N)ccc1OCc1ccccc1 ZINC000468725880 882830491 /nfs/dbraw/zinc/83/04/91/882830491.db2.gz AGMCATBOSKTDTN-UHFFFAOYSA-N 0 0 421.453 4.037 20 5 HIBDRN O=C(c1ccc(Sc2ccccn2)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461404247 874416846 /nfs/dbraw/zinc/41/68/46/874416846.db2.gz QSHAFVOVNDGNCV-UHFFFAOYSA-N 0 0 407.451 4.176 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461404593 874417351 /nfs/dbraw/zinc/41/73/51/874417351.db2.gz GTBZRSDVXCMCOQ-LLVKDONJSA-N 0 0 411.241 4.090 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461404594 874417388 /nfs/dbraw/zinc/41/73/88/874417388.db2.gz GTBZRSDVXCMCOQ-NSHDSACASA-N 0 0 411.241 4.090 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000468724235 882829574 /nfs/dbraw/zinc/82/95/74/882829574.db2.gz JYOGBFITUNECML-MRXNPFEDSA-N 0 0 422.510 4.052 20 5 HIBDRN CCCOc1ccc(Oc2ncccc2CNC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000468732428 882833583 /nfs/dbraw/zinc/83/35/83/882833583.db2.gz GIOATASFPCIUPG-UHFFFAOYSA-N 0 0 422.441 4.083 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(F)cc2NC(C)C)cc1[N+](=O)[O-] ZINC000461464535 874522840 /nfs/dbraw/zinc/52/28/40/874522840.db2.gz RTADOITYDLCDSP-UHFFFAOYSA-N 0 0 407.467 4.435 20 5 HIBDRN C[C@@H]1SCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)[C@H]1C ZINC000461497258 874568187 /nfs/dbraw/zinc/56/81/87/874568187.db2.gz KBJJQONTYQJELH-KBPBESRZSA-N 0 0 415.544 4.293 20 5 HIBDRN Cn1c(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)nnc1C1CCC1 ZINC000461498505 874571792 /nfs/dbraw/zinc/57/17/92/874571792.db2.gz OGFMFMUOKBUCDB-UHFFFAOYSA-N 0 0 423.498 4.072 20 5 HIBDRN Nc1c(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cccc1[N+](=O)[O-] ZINC000468747868 882841507 /nfs/dbraw/zinc/84/15/07/882841507.db2.gz MVDOBBFOWCDZNT-QGZVFWFLSA-N 0 0 411.849 4.198 20 5 HIBDRN Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461526937 874610640 /nfs/dbraw/zinc/61/06/40/874610640.db2.gz USEMUZSUFPTOCL-MSOLQXFVSA-N 0 0 421.501 4.396 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3c3ccccc3)n2C[C@H]2CCOC2)c1 ZINC000461525918 874610831 /nfs/dbraw/zinc/61/08/31/874610831.db2.gz REPCLEJKMAZHKH-DYESRHJHSA-N 0 0 419.485 4.231 20 5 HIBDRN Cc1noc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1C ZINC000461534437 874620950 /nfs/dbraw/zinc/62/09/50/874620950.db2.gz UHERNLXTGNSRNT-UHFFFAOYSA-N 0 0 412.368 4.074 20 5 HIBDRN C[C@H](C1CCCCC1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461535134 874622295 /nfs/dbraw/zinc/62/22/95/874622295.db2.gz RPJGBEFEKIHHMZ-SJORKVTESA-N 0 0 413.522 4.295 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@H]3C3CCCC3)n2C[C@@H]2CCOC2)cc1 ZINC000461558408 874649256 /nfs/dbraw/zinc/64/92/56/874649256.db2.gz ISARRZDLBMGHLW-JXFKEZNVSA-N 0 0 411.506 4.049 20 5 HIBDRN C[C@@H](C1CCCCC1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 ZINC000461567411 874665429 /nfs/dbraw/zinc/66/54/29/874665429.db2.gz RZYNBFHELNHSEL-IRXDYDNUSA-N 0 0 413.522 4.295 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)n1 ZINC000461589889 874706221 /nfs/dbraw/zinc/70/62/21/874706221.db2.gz XBYCRXCQHYTDDH-OAHLLOKOSA-N 0 0 403.442 4.370 20 5 HIBDRN CC[C@@H](NC(=O)c1cc(C)n(-c2c(F)cccc2F)n1)c1cccc([N+](=O)[O-])c1 ZINC000468779134 882856337 /nfs/dbraw/zinc/85/63/37/882856337.db2.gz BLHQCUKOOMLWDK-QGZVFWFLSA-N 0 0 400.385 4.248 20 5 HIBDRN CCOc1ccc(Nc2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)cc1 ZINC000461617671 874765253 /nfs/dbraw/zinc/76/52/53/874765253.db2.gz WCSBDJPCWJEGCO-HNNXBMFYSA-N 0 0 409.446 4.032 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000461635001 874791607 /nfs/dbraw/zinc/79/16/07/874791607.db2.gz ZFJDMHBWEGRQFN-KJEZJMDVSA-N 0 0 424.482 4.153 20 5 HIBDRN CC(C)CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1)C1CCCC1 ZINC000461648036 874804367 /nfs/dbraw/zinc/80/43/67/874804367.db2.gz OMBBJIUEBREKGD-QGZVFWFLSA-N 0 0 413.522 4.295 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N(CC3CC3)C3CCC3)n2C[C@H]2CCCCO2)cc1 ZINC000461669310 874821033 /nfs/dbraw/zinc/82/10/33/874821033.db2.gz PFFXUEJSQMMZDA-HXUWFJFHSA-N 0 0 411.506 4.191 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCOC1 ZINC000461707173 874857109 /nfs/dbraw/zinc/85/71/09/874857109.db2.gz VKJRBHHLSKQFTQ-GOSISDBHSA-N 0 0 415.538 4.226 20 5 HIBDRN Cc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461730640 874877189 /nfs/dbraw/zinc/87/71/89/874877189.db2.gz NTXAOEZHIKWFSG-UHFFFAOYSA-N 0 0 411.355 4.024 20 5 HIBDRN Cc1cc(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(F)cc1[N+](=O)[O-] ZINC000461737977 874883111 /nfs/dbraw/zinc/88/31/11/874883111.db2.gz XXRAXQRFPPIDSG-UHFFFAOYSA-N 0 0 403.723 4.369 20 5 HIBDRN Cc1nc2ccccc2n1CCCCCS(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000461744193 874887564 /nfs/dbraw/zinc/88/75/64/874887564.db2.gz CRQNBCFDEKRJPI-UHFFFAOYSA-N 0 0 415.515 4.347 20 5 HIBDRN Cc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c(F)cc1[N+](=O)[O-] ZINC000461776341 874902368 /nfs/dbraw/zinc/90/23/68/874902368.db2.gz BVFJMSFZEFTQSC-UHFFFAOYSA-N 0 0 407.829 4.256 20 5 HIBDRN CC(C)C[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCCO1 ZINC000461806658 874919522 /nfs/dbraw/zinc/91/95/22/874919522.db2.gz DJLZPZAIADJUIA-WOJBJXKFSA-N 0 0 413.522 4.437 20 5 HIBDRN COC(=O)CCCC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000461826279 874953874 /nfs/dbraw/zinc/95/38/74/874953874.db2.gz LCOICRMBKSHQPX-UHFFFAOYSA-N 0 0 424.812 4.139 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N(CC3CC3)CC3CC3)n2C[C@H]2CCCCO2)cc1 ZINC000461847043 874988100 /nfs/dbraw/zinc/98/81/00/874988100.db2.gz CMSDYSNSZYRDIY-HXUWFJFHSA-N 0 0 411.506 4.049 20 5 HIBDRN Cc1cc(N2CCC(OC[C@H]3CCCCO3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461943541 875076527 /nfs/dbraw/zinc/07/65/27/875076527.db2.gz GRUUDRWBMPHVSM-OAHLLOKOSA-N 0 0 402.413 4.477 20 5 HIBDRN Cc1cc(N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461960719 875086675 /nfs/dbraw/zinc/08/66/75/875086675.db2.gz SCGIVPLCEUCZNG-UHFFFAOYSA-N 0 0 411.477 4.450 20 5 HIBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1OCCCO ZINC000461995436 875115965 /nfs/dbraw/zinc/11/59/65/875115965.db2.gz QJTPLISHAULFMZ-NSHDSACASA-N 0 0 413.243 4.431 20 5 HIBDRN COc1ccc(C(=O)C2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cc1 ZINC000462087502 875197000 /nfs/dbraw/zinc/19/70/00/875197000.db2.gz JOLNQTZZRMSFDJ-UHFFFAOYSA-N 0 0 406.385 4.304 20 5 HIBDRN COc1cccc(N2CC[C@H](CNc3ccc([N+](=O)[O-])cc3Br)C2)c1 ZINC000462089503 875197955 /nfs/dbraw/zinc/19/79/55/875197955.db2.gz AIUZZGYRYFBACE-CYBMUJFWSA-N 0 0 406.280 4.304 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000468878402 882914687 /nfs/dbraw/zinc/91/46/87/882914687.db2.gz HQNSKCCTTCAUGV-NSHDSACASA-N 0 0 423.263 4.083 20 5 HIBDRN C[C@H]1C[C@@H](c2ccccc2)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462131240 875231745 /nfs/dbraw/zinc/23/17/45/875231745.db2.gz RBRSADQYKKNVCG-WCQYABFASA-N 0 0 415.298 4.468 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000462174733 875272797 /nfs/dbraw/zinc/27/27/97/875272797.db2.gz IHIBEGQQVJNUEF-GDBMZVCRSA-N 0 0 419.528 4.198 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000462244306 875361011 /nfs/dbraw/zinc/36/10/11/875361011.db2.gz FJDIANVWFYDXRU-CXAGYDPISA-N 0 0 407.373 4.238 20 5 HIBDRN CC[C@@H](c1ccncc1)N(CC)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462333037 875449558 /nfs/dbraw/zinc/44/95/58/875449558.db2.gz IJRGPLXASZSWPP-AWEZNQCLSA-N 0 0 418.302 4.459 20 5 HIBDRN O=C(c1ccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1)N1CCCCC1 ZINC000462390324 875501133 /nfs/dbraw/zinc/50/11/33/875501133.db2.gz AGVWLISSTWVHDA-UHFFFAOYSA-N 0 0 405.401 4.434 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000462421018 875526695 /nfs/dbraw/zinc/52/66/95/875526695.db2.gz NQLIESZIQFZENM-NRFANRHFSA-N 0 0 420.513 4.342 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000462419106 875526822 /nfs/dbraw/zinc/52/68/22/875526822.db2.gz IWZUWMUKUYJNFE-RDJZCZTQSA-N 0 0 424.501 4.325 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000462419104 875527125 /nfs/dbraw/zinc/52/71/25/875527125.db2.gz IWZUWMUKUYJNFE-DOTOQJQBSA-N 0 0 424.501 4.325 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000462427768 875533408 /nfs/dbraw/zinc/53/34/08/875533408.db2.gz AXGABBZKWYJVAW-AWEZNQCLSA-N 0 0 403.866 4.157 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000462436914 875542537 /nfs/dbraw/zinc/54/25/37/875542537.db2.gz NAASUYYTXVFCCW-WBVHZDCISA-N 0 0 400.475 4.448 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C1CCC(C(F)(F)F)CC1 ZINC000462460544 875565345 /nfs/dbraw/zinc/56/53/45/875565345.db2.gz SPXADJCGWKVHIP-UHFFFAOYSA-N 0 0 421.224 4.301 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000462479130 875585500 /nfs/dbraw/zinc/58/55/00/875585500.db2.gz FOTOMUUOGUSHIU-OAHLLOKOSA-N 0 0 405.458 4.465 20 5 HIBDRN CC(C)n1cnnc1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462485664 875595769 /nfs/dbraw/zinc/59/57/69/875595769.db2.gz FDESMYOZBAEOOP-SFHVURJKSA-N 0 0 422.489 4.125 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000462489841 875600359 /nfs/dbraw/zinc/60/03/59/875600359.db2.gz DXYRRVNKLTUEIH-UHFFFAOYSA-N 0 0 411.483 4.176 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000462489549 875600657 /nfs/dbraw/zinc/60/06/57/875600657.db2.gz 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HIBDRN Cc1ccc(-c2nc(CC(=O)Nc3cc(C)nc4ccc([N+](=O)[O-])cc43)cs2)o1 ZINC000462575292 875699479 /nfs/dbraw/zinc/69/94/79/875699479.db2.gz DRBZOUQAZZKGAO-UHFFFAOYSA-N 0 0 408.439 4.079 20 5 HIBDRN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000462589729 875706842 /nfs/dbraw/zinc/70/68/42/875706842.db2.gz IJBYFBFSMIDKRG-QRQCRPRQSA-N 0 0 423.469 4.113 20 5 HIBDRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000462597411 875712855 /nfs/dbraw/zinc/71/28/55/875712855.db2.gz SMRBBTNCEXWQRN-AWEZNQCLSA-N 0 0 418.457 4.150 20 5 HIBDRN Cc1cc(NC(=O)c2ccccc2-c2nc(C(C)C)no2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462595717 875713257 /nfs/dbraw/zinc/71/32/57/875713257.db2.gz PGQWWHLUWXXORS-UHFFFAOYSA-N 0 0 417.425 4.299 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2cccc(OC)c2)nn1C ZINC000462606805 875720896 /nfs/dbraw/zinc/72/08/96/875720896.db2.gz YRKDEFBUTGNNSJ-INIZCTEOSA-N 0 0 408.458 4.211 20 5 HIBDRN 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ZINC000469014464 883080984 /nfs/dbraw/zinc/08/09/84/883080984.db2.gz PURFGLBSKWLOBB-GFCCVEGCSA-N 0 0 413.455 4.227 20 5 HIBDRN CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000463843826 876966228 /nfs/dbraw/zinc/96/62/28/876966228.db2.gz GCGIENAREQSZRW-XMMPIXPASA-N 0 0 418.497 4.373 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc([N+](=O)[O-])cc1Br ZINC000463921398 877040682 /nfs/dbraw/zinc/04/06/82/877040682.db2.gz OYUZFXYOVKEXPP-UHFFFAOYSA-N 0 0 422.666 4.465 20 5 HIBDRN C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Oc1ccccc1F ZINC000463936543 877056893 /nfs/dbraw/zinc/05/68/93/877056893.db2.gz UECKDRIUEKTEFM-LBPRGKRZSA-N 0 0 401.419 4.055 20 5 HIBDRN Cc1ccc(O[C@@H](C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 ZINC000463939396 877059158 /nfs/dbraw/zinc/05/91/58/877059158.db2.gz WYDSKQQEOWSOPH-ZDUSSCGKSA-N 0 0 412.364 4.042 20 5 HIBDRN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000463944740 877065337 /nfs/dbraw/zinc/06/53/37/877065337.db2.gz MTKCXNUEARDAJC-UHFFFAOYSA-N 0 0 410.430 4.107 20 5 HIBDRN CCOC(=O)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccc(F)cc1 ZINC000463951396 877073849 /nfs/dbraw/zinc/07/38/49/877073849.db2.gz ADOPXQSJNYAPSZ-KRWDZBQOSA-N 0 0 403.410 4.167 20 5 HIBDRN Cc1cccc(Br)c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000463958136 877081465 /nfs/dbraw/zinc/08/14/65/877081465.db2.gz MNHGUKUVRWFYQT-UHFFFAOYSA-N 0 0 419.275 4.349 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000463957559 877081653 /nfs/dbraw/zinc/08/16/53/877081653.db2.gz ITZFUSBYSQHYIY-UHFFFAOYSA-N 0 0 409.442 4.304 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000463991489 877125998 /nfs/dbraw/zinc/12/59/98/877125998.db2.gz RKFWDVHWPZMLOZ-UHFFFAOYSA-N 0 0 419.437 4.259 20 5 HIBDRN CCCCN(Cc1ccccc1F)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000464033154 877168779 /nfs/dbraw/zinc/16/87/79/877168779.db2.gz QMBALMPWCCDUEQ-UHFFFAOYSA-N 0 0 401.438 4.118 20 5 HIBDRN Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000464053368 877196617 /nfs/dbraw/zinc/19/66/17/877196617.db2.gz ZZMGTASLFPTKQW-FGZHOGPDSA-N 0 0 404.470 4.497 20 5 HIBDRN Cc1ccc(NCCCNC(=O)c2cccc(-c3noc(C4CC4)n3)c2)c([N+](=O)[O-])c1 ZINC000464077031 877227072 /nfs/dbraw/zinc/22/70/72/877227072.db2.gz ZWEGPEDLBAJKDK-UHFFFAOYSA-N 0 0 421.457 4.063 20 5 HIBDRN CSc1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)c2cc(F)ccc2F)c1 ZINC000464114703 877270515 /nfs/dbraw/zinc/27/05/15/877270515.db2.gz DCOAVJRMSZRGJX-GOSISDBHSA-N 0 0 403.410 4.442 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000464184307 877355068 /nfs/dbraw/zinc/35/50/68/877355068.db2.gz SLDYWBYHCDRTCT-AWEZNQCLSA-N 0 0 411.845 4.394 20 5 HIBDRN COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(C)C ZINC000464257186 877435331 /nfs/dbraw/zinc/43/53/31/877435331.db2.gz FMKONGCBUNKNFF-LBPRGKRZSA-N 0 0 408.838 4.450 20 5 HIBDRN C[C@H](CC(F)(F)F)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000464276369 877462683 /nfs/dbraw/zinc/46/26/83/877462683.db2.gz PHNWZXVJVQQLPN-SSDOTTSWSA-N 0 0 411.167 4.158 20 5 HIBDRN CCOC(=O)c1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000464281653 877469097 /nfs/dbraw/zinc/46/90/97/877469097.db2.gz OXSNXBGNZBBJRJ-UHFFFAOYSA-N 0 0 411.439 4.172 20 5 HIBDRN CCOc1ccc(NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])c2ncccc12 ZINC000464342022 877531938 /nfs/dbraw/zinc/53/19/38/877531938.db2.gz WGVUJSOATPUCEO-UHFFFAOYSA-N 0 0 411.414 4.201 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000464344707 877535395 /nfs/dbraw/zinc/53/53/95/877535395.db2.gz UCEHEXYQXGMIJV-MRXNPFEDSA-N 0 0 408.483 4.035 20 5 HIBDRN O=C(NCc1ccc(OCc2ccccc2F)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000464361323 877557431 /nfs/dbraw/zinc/55/74/31/877557431.db2.gz HQYFQEVQNQVJHH-UHFFFAOYSA-N 0 0 409.417 4.312 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000464398434 877600208 /nfs/dbraw/zinc/60/02/08/877600208.db2.gz ASDRYKQARATULA-SFHVURJKSA-N 0 0 413.522 4.063 20 5 HIBDRN Cc1ccccc1[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000464404627 877607818 /nfs/dbraw/zinc/60/78/18/877607818.db2.gz QOFIDGSDCPCOBE-JKSUJKDBSA-N 0 0 411.483 4.018 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3ccccc3)CC2)c2ncccc12 ZINC000464426107 877636944 /nfs/dbraw/zinc/63/69/44/877636944.db2.gz LSNAZVYODHHUQG-QGZVFWFLSA-N 0 0 411.483 4.101 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nccc(-c2ccco2)n1 ZINC000464457549 877677703 /nfs/dbraw/zinc/67/77/03/877677703.db2.gz GFZZVHTZCQVITD-UHFFFAOYSA-N 0 0 421.335 4.104 20 5 HIBDRN COCC[C@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC000503282433 912262383 /nfs/dbraw/zinc/26/23/83/912262383.db2.gz RQTOXYLUACGFMT-AWEZNQCLSA-N 0 0 406.236 4.110 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000503288771 912271095 /nfs/dbraw/zinc/27/10/95/912271095.db2.gz ZQHHAMIQNXSKKG-JOCHJYFZSA-N 0 0 413.437 4.003 20 5 HIBDRN CC(C)(C(=O)Nc1nc2cc(Br)ccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000464558334 877774806 /nfs/dbraw/zinc/77/48/06/877774806.db2.gz QIUZVVFABMAMSM-UHFFFAOYSA-N 0 0 403.236 4.150 20 5 HIBDRN Cc1cccc([C@@H]2CCCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000464588621 877813958 /nfs/dbraw/zinc/81/39/58/877813958.db2.gz WMDRUHKTAFPMSB-NRFANRHFSA-N 0 0 409.486 4.085 20 5 HIBDRN COc1cc(C2(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)CC2)ccc1C ZINC000464623936 877842249 /nfs/dbraw/zinc/84/22/49/877842249.db2.gz DFXIJJNDYILETC-UHFFFAOYSA-N 0 0 410.470 4.013 20 5 HIBDRN C[C@@H]1CCc2sc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2C1 ZINC000464639958 877858226 /nfs/dbraw/zinc/85/82/26/877858226.db2.gz QMSYTSYCINAGDV-CQSZACIVSA-N 0 0 400.500 4.465 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)cc1SC ZINC000464641754 877859093 /nfs/dbraw/zinc/85/90/93/877859093.db2.gz ZGOLNBBYZCSQFI-LLVKDONJSA-N 0 0 410.879 4.176 20 5 HIBDRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000464656573 877878086 /nfs/dbraw/zinc/87/80/86/877878086.db2.gz YKXRFURYWKMIFY-GOSISDBHSA-N 0 0 402.878 4.421 20 5 HIBDRN COc1ccc(SCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464658042 877878768 /nfs/dbraw/zinc/87/87/68/877878768.db2.gz BFXKHHVNIZXLFR-UHFFFAOYSA-N 0 0 416.499 4.156 20 5 HIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOc2c(Cl)cc(Br)cc21 ZINC000464657462 877879195 /nfs/dbraw/zinc/87/91/95/877879195.db2.gz CCVCMOKJSGNOTJ-UHFFFAOYSA-N 0 0 415.602 4.189 20 5 HIBDRN O=C(COc1cccc2ccccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464660001 877880687 /nfs/dbraw/zinc/88/06/87/877880687.db2.gz HVNVIEXRQHSHKX-UHFFFAOYSA-N 0 0 406.438 4.197 20 5 HIBDRN Cc1c(C(=O)Nc2cc(Cl)ccc2OC(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000464660461 877881907 /nfs/dbraw/zinc/88/19/07/877881907.db2.gz CPWZSYNMNMVDHB-UHFFFAOYSA-N 0 0 415.837 4.177 20 5 HIBDRN Cc1cc(C(F)(F)F)ncc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000464661479 877882807 /nfs/dbraw/zinc/88/28/07/877882807.db2.gz PLBJKQFBJINTJN-UHFFFAOYSA-N 0 0 418.169 4.261 20 5 HIBDRN Cc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccccc1C ZINC000464661382 877882865 /nfs/dbraw/zinc/88/28/65/877882865.db2.gz JZFNNOPJLFNDKJ-UHFFFAOYSA-N 0 0 420.469 4.081 20 5 HIBDRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464663420 877883501 /nfs/dbraw/zinc/88/35/01/877883501.db2.gz OJYJZILNTLFUJI-UHFFFAOYSA-N 0 0 418.877 4.476 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464663020 877883646 /nfs/dbraw/zinc/88/36/46/877883646.db2.gz VFPOJCZATYIYOK-MOPGFXCFSA-N 0 0 400.862 4.422 20 5 HIBDRN Cn1c2ccccc2c(Cl)c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464667085 877887590 /nfs/dbraw/zinc/88/75/90/877887590.db2.gz UTNPXYGEVILTBH-UHFFFAOYSA-N 0 0 413.861 4.424 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1C(=O)N1CCCC2(C1)CCCCCC2 ZINC000464691985 877906422 /nfs/dbraw/zinc/90/64/22/877906422.db2.gz PJHCRADKRYYUBJ-INIZCTEOSA-N 0 0 419.547 4.224 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1C ZINC000464721380 877948565 /nfs/dbraw/zinc/94/85/65/877948565.db2.gz WMEKCWRUVBHWSK-AVRDEDQJSA-N 0 0 420.469 4.368 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC000464720948 877948744 /nfs/dbraw/zinc/94/87/44/877948744.db2.gz SRGVEBIVQKQOPX-UHFFFAOYSA-N 0 0 416.499 4.273 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000464721382 877949142 /nfs/dbraw/zinc/94/91/42/877949142.db2.gz WMPSMPKCFUOFDH-UHFFFAOYSA-N 0 0 415.247 4.358 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000464721016 877949271 /nfs/dbraw/zinc/94/92/71/877949271.db2.gz UOJHKVILZCYUMS-UHFFFAOYSA-N 0 0 409.398 4.020 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000464738095 877974542 /nfs/dbraw/zinc/97/45/42/877974542.db2.gz NYSFWVFGQSLCNF-QFIPXVFZSA-N 0 0 417.465 4.342 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464777537 878022422 /nfs/dbraw/zinc/02/24/22/878022422.db2.gz VFTBNHCESHDNPR-CVEARBPZSA-N 0 0 401.894 4.085 20 5 HIBDRN C[C@H](c1nc(-c2cccs2)no1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464781414 878027005 /nfs/dbraw/zinc/02/70/05/878027005.db2.gz ZFTRWGTVXJIHQD-CYBMUJFWSA-N 0 0 400.460 4.311 20 5 HIBDRN CCN(CC)C(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)c1 ZINC000464799374 878042872 /nfs/dbraw/zinc/04/28/72/878042872.db2.gz OSTVOBOMZUJCSC-UHFFFAOYSA-N 0 0 421.453 4.248 20 5 HIBDRN CC[C@@](C)(NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000464805417 878050992 /nfs/dbraw/zinc/05/09/92/878050992.db2.gz LEQVGJBCZGKHHB-QGZVFWFLSA-N 0 0 401.435 4.385 20 5 HIBDRN CCOc1cccc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1OC(F)F ZINC000464810412 878061266 /nfs/dbraw/zinc/06/12/66/878061266.db2.gz OUKNGDFKXKESAU-LBPRGKRZSA-N 0 0 409.389 4.155 20 5 HIBDRN C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](c2ccccc2)CO1 ZINC000464961312 878302529 /nfs/dbraw/zinc/30/25/29/878302529.db2.gz MAPTYGGQVSOFRY-KUHUBIRLSA-N 0 0 409.467 4.321 20 5 HIBDRN CCOc1cccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1OC(F)F ZINC000465021699 878384921 /nfs/dbraw/zinc/38/49/21/878384921.db2.gz WDPRSAQYIPFOKL-UHFFFAOYSA-N 0 0 400.765 4.178 20 5 HIBDRN C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000465051665 878414704 /nfs/dbraw/zinc/41/47/04/878414704.db2.gz SPKIBNWBGAFJJD-JTQLQIEISA-N 0 0 411.241 4.093 20 5 HIBDRN CC(C)c1ccc(CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C2CC2)cc1 ZINC000465054264 878416104 /nfs/dbraw/zinc/41/61/04/878416104.db2.gz UYTGVTXVABQLJE-UHFFFAOYSA-N 0 0 410.470 4.223 20 5 HIBDRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2NC1=O ZINC000465068711 878428161 /nfs/dbraw/zinc/42/81/61/878428161.db2.gz STVAYLPWDNUGCL-HWPZZCPQSA-N 0 0 418.837 4.240 20 5 HIBDRN 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ZINC000465130008 878510516 /nfs/dbraw/zinc/51/05/16/878510516.db2.gz PDEBBCUQRZRLCN-HXUWFJFHSA-N 0 0 404.850 4.075 20 5 HIBDRN CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465129188 878511075 /nfs/dbraw/zinc/51/10/75/878511075.db2.gz DNKZIULMMOHMLY-OAQYLSRUSA-N 0 0 418.877 4.418 20 5 HIBDRN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465161244 878542509 /nfs/dbraw/zinc/54/25/09/878542509.db2.gz AGFOUCAWIDFGFU-MOPGFXCFSA-N 0 0 410.470 4.093 20 5 HIBDRN Cc1ccc2[nH]c(CNC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)nc2c1 ZINC000465198127 878601602 /nfs/dbraw/zinc/60/16/02/878601602.db2.gz TXRGRWGYTUWVSC-HOTGVXAUSA-N 0 0 421.501 4.192 20 5 HIBDRN C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(-n2cccn2)c1 ZINC000465204274 878611522 /nfs/dbraw/zinc/61/15/22/878611522.db2.gz HSEATAIYPMDSEL-CQSZACIVSA-N 0 0 419.466 4.395 20 5 HIBDRN CCOC(=O)c1sc([C@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)nc1C ZINC000465243634 878665333 /nfs/dbraw/zinc/66/53/33/878665333.db2.gz VCQMWELBUBDDBM-LBPRGKRZSA-N 0 0 406.464 4.036 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)cc([N+](=O)[O-])c1OC ZINC000465261561 878690510 /nfs/dbraw/zinc/69/05/10/878690510.db2.gz KVUSWVSXNLAFFM-IBGZPJMESA-N 0 0 402.422 4.412 20 5 HIBDRN CO[C@]1(C)C[C@@H](NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1(C)C ZINC000465265087 878693536 /nfs/dbraw/zinc/69/35/36/878693536.db2.gz MLXVEDFVMQSWPC-JSVDNDDVSA-N 0 0 412.490 4.096 20 5 HIBDRN COc1ccc(C2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000465382398 878823817 /nfs/dbraw/zinc/82/38/17/878823817.db2.gz OHTHSAFEISSMAT-UHFFFAOYSA-N 0 0 418.877 4.432 20 5 HIBDRN O=C(NCc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465459135 878889370 /nfs/dbraw/zinc/88/93/70/878889370.db2.gz ONSUKPQIHZOMMP-UHFFFAOYSA-N 0 0 423.391 4.367 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1ccccc1OC ZINC000503417351 912404336 /nfs/dbraw/zinc/40/43/36/912404336.db2.gz 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HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000465999904 879676564 /nfs/dbraw/zinc/67/65/64/879676564.db2.gz GAAMTDKQAQOAHQ-CYBMUJFWSA-N 0 0 404.854 4.047 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])cc1OCC ZINC000466096565 879815084 /nfs/dbraw/zinc/81/50/84/879815084.db2.gz WROWLVAMUZPWKC-KRWDZBQOSA-N 0 0 420.491 4.430 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1cccc(Br)c1 ZINC000466147035 879854889 /nfs/dbraw/zinc/85/48/89/879854889.db2.gz SKZCGSOTQXXTEJ-QGZVFWFLSA-N 0 0 418.291 4.447 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)NCCc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000466150505 879856997 /nfs/dbraw/zinc/85/69/97/879856997.db2.gz YRIZCYWCEBAUSE-UHFFFAOYSA-N 0 0 420.469 4.126 20 5 HIBDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000466154450 879859475 /nfs/dbraw/zinc/85/94/75/879859475.db2.gz PXPYMONNHSBFOB-GOSISDBHSA-N 0 0 411.502 4.396 20 5 HIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)NCCc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000466157978 879861483 /nfs/dbraw/zinc/86/14/83/879861483.db2.gz PJGJIQCHNUYKIZ-UHFFFAOYSA-N 0 0 422.485 4.216 20 5 HIBDRN Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000466160284 879863774 /nfs/dbraw/zinc/86/37/74/879863774.db2.gz WKKJIZQVONCALM-UHFFFAOYSA-N 0 0 404.470 4.426 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000466235727 879941968 /nfs/dbraw/zinc/94/19/68/879941968.db2.gz KQLNXINGDPECJO-QGZVFWFLSA-N 0 0 407.495 4.183 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000466252821 879972619 /nfs/dbraw/zinc/97/26/19/879972619.db2.gz DQBJKABAIYPVMJ-MRXNPFEDSA-N 0 0 423.494 4.019 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1COc2ccc(F)cc21 ZINC000466260328 879987917 /nfs/dbraw/zinc/98/79/17/879987917.db2.gz OMMPFUVRMWXYMP-LBPRGKRZSA-N 0 0 416.352 4.095 20 5 HIBDRN O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466285160 880028632 /nfs/dbraw/zinc/02/86/32/880028632.db2.gz 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ZINC000470519231 884909923 /nfs/dbraw/zinc/90/99/23/884909923.db2.gz KYARXBLFPQCRBJ-UHFFFAOYSA-N 0 0 418.384 4.399 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CNc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000470539891 884942390 /nfs/dbraw/zinc/94/23/90/884942390.db2.gz OFRALCCVTSYMQR-UHFFFAOYSA-N 0 0 411.315 4.286 20 5 HIBDRN Cc1c(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cccc1N1C(=O)CCNC1=O ZINC000503953204 912881238 /nfs/dbraw/zinc/88/12/38/912881238.db2.gz NPTZWUIFXLVXJV-GOSISDBHSA-N 0 0 408.458 4.184 20 5 HIBDRN CCC1(CC)CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[S@@]1=O ZINC000470599055 885023689 /nfs/dbraw/zinc/02/36/89/885023689.db2.gz CZRXJVQLQCEBLE-LJAQVGFWSA-N 0 0 415.515 4.102 20 5 HIBDRN O=C(Nc1cccc(COCc2ccco2)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470616264 885040377 /nfs/dbraw/zinc/04/03/77/885040377.db2.gz BUHQRIYCVWOLGF-UHFFFAOYSA-N 0 0 423.425 4.200 20 5 HIBDRN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000470630037 885056028 /nfs/dbraw/zinc/05/60/28/885056028.db2.gz XHLJHVHRKOKSCN-FQLMCAECSA-N 0 0 413.440 4.490 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000503975988 912892634 /nfs/dbraw/zinc/89/26/34/912892634.db2.gz DYGZZQNRRSITOI-LBPRGKRZSA-N 0 0 411.380 4.053 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCOCc2ccccc21 ZINC000470637230 885062306 /nfs/dbraw/zinc/06/23/06/885062306.db2.gz YTVXFVAZRITAJJ-UHFFFAOYSA-N 0 0 403.438 4.384 20 5 HIBDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470658407 885083152 /nfs/dbraw/zinc/08/31/52/885083152.db2.gz AYZMAEJKLYKLSZ-UHFFFAOYSA-N 0 0 423.800 4.151 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000470662967 885088149 /nfs/dbraw/zinc/08/81/49/885088149.db2.gz NAFRSKYGFKVQIA-UHFFFAOYSA-N 0 0 400.431 4.130 20 5 HIBDRN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000470663202 885088647 /nfs/dbraw/zinc/08/86/47/885088647.db2.gz OCHHPTHWTIUACY-ICSRJNTNSA-N 0 0 405.458 4.449 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C)O[C@H](C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000470688445 885123955 /nfs/dbraw/zinc/12/39/55/885123955.db2.gz FTIGDLWLZLMOQY-WBMJQRKESA-N 0 0 419.528 4.150 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCC(C)(c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000470694604 885131349 /nfs/dbraw/zinc/13/13/49/885131349.db2.gz RKQSYKSKUBFUMH-UHFFFAOYSA-N 0 0 416.861 4.229 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000470709682 885148804 /nfs/dbraw/zinc/14/88/04/885148804.db2.gz LYGTUJVKRKVQFO-MRXNPFEDSA-N 0 0 421.428 4.378 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000470735381 885189804 /nfs/dbraw/zinc/18/98/04/885189804.db2.gz FMLIHHSTTFOKFA-BONVTDFDSA-N 0 0 411.277 4.021 20 5 HIBDRN CCOc1cc(C(=O)N(Cc2cccs2)CC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000470786469 885263222 /nfs/dbraw/zinc/26/32/22/885263222.db2.gz ZOOIFVQAXPGMPV-UHFFFAOYSA-N 0 0 418.393 4.268 20 5 HIBDRN C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1-n1cccn1 ZINC000470793295 885273705 /nfs/dbraw/zinc/27/37/05/885273705.db2.gz PGNICSSAHFUTAU-GFCCVEGCSA-N 0 0 417.372 4.265 20 5 HIBDRN C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](c2ccsc2)O1 ZINC000470793681 885275660 /nfs/dbraw/zinc/27/56/60/885275660.db2.gz QMSZXIBSVSECHX-BMIGLBTASA-N 0 0 413.402 4.252 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000470798322 885285608 /nfs/dbraw/zinc/28/56/08/885285608.db2.gz SFDZNAAOOUIPHJ-UHFFFAOYSA-N 0 0 401.419 4.432 20 5 HIBDRN CC1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 ZINC000470813874 885303015 /nfs/dbraw/zinc/30/30/15/885303015.db2.gz WIQHZHCGYLKFDK-UHFFFAOYSA-N 0 0 406.891 4.386 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000470843577 885338662 /nfs/dbraw/zinc/33/86/62/885338662.db2.gz YABMFQDSTLBRGP-SNVBAGLBSA-N 0 0 418.247 4.338 20 5 HIBDRN O=c1nc(SCCn2cc([N+](=O)[O-])cn2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000470855411 885352319 /nfs/dbraw/zinc/35/23/19/885352319.db2.gz RLHBERXMWFEBQZ-UHFFFAOYSA-N 0 0 417.447 4.100 20 5 HIBDRN C[C@@H](Sc1nnc(C2CC2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000470861543 885353901 /nfs/dbraw/zinc/35/39/01/885353901.db2.gz YTUWAYSQIDYSDZ-SSDOTTSWSA-N 0 0 418.422 4.462 20 5 HIBDRN Cc1cc(N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)ncc1[N+](=O)[O-] ZINC000470864708 885354729 /nfs/dbraw/zinc/35/47/29/885354729.db2.gz BVJSZFMPPRONOV-FQEVSTJZSA-N 0 0 415.446 4.042 20 5 HIBDRN Cc1cc(Nc2ccc(CCn3cc(Br)cn3)cc2)ncc1[N+](=O)[O-] ZINC000470866632 885355572 /nfs/dbraw/zinc/35/55/72/885355572.db2.gz ODPCKPKNLCTFNS-UHFFFAOYSA-N 0 0 402.252 4.244 20 5 HIBDRN O=[N+]([O-])c1cn(C[C@@H](O)Cn2c3ccccc3c3ccccc32)nc1-c1ccncc1 ZINC000470879479 885369906 /nfs/dbraw/zinc/36/99/06/885369906.db2.gz HPUVDNPHWASSQU-QGZVFWFLSA-N 0 0 413.437 4.022 20 5 HIBDRN CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)Cn3ccc([N+](=O)[O-])n3)c2)cc1 ZINC000470893046 885389866 /nfs/dbraw/zinc/38/98/66/885389866.db2.gz QLACTVZGAVVPLB-KRWDZBQOSA-N 0 0 422.485 4.465 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000470897402 885396803 /nfs/dbraw/zinc/39/68/03/885396803.db2.gz NPOUNZUSMPWLLA-UHFFFAOYSA-N 0 0 409.442 4.353 20 5 HIBDRN COc1cc2[nH]c(CCCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2c(OC)c1 ZINC000470915662 885424263 /nfs/dbraw/zinc/42/42/63/885424263.db2.gz FFUQRWHOWPJMAR-UHFFFAOYSA-N 0 0 417.849 4.109 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](OCc3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000470922315 885427962 /nfs/dbraw/zinc/42/79/62/885427962.db2.gz WFRANYVNNYRIRN-AEFFLSMTSA-N 0 0 415.465 4.051 20 5 HIBDRN Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000470922539 885428494 /nfs/dbraw/zinc/42/84/94/885428494.db2.gz ZGGAMNXQZHLREC-UHFFFAOYSA-N 0 0 415.449 4.354 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000470948739 885447842 /nfs/dbraw/zinc/44/78/42/885447842.db2.gz UAAXDTSOZKWZSA-UHFFFAOYSA-N 0 0 419.275 4.218 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000470951565 885451211 /nfs/dbraw/zinc/45/12/11/885451211.db2.gz YECPFHDTOAAAHT-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000470961495 885459258 /nfs/dbraw/zinc/45/92/58/885459258.db2.gz RHFBCZUDTBBONF-UHFFFAOYSA-N 0 0 409.364 4.023 20 5 HIBDRN COc1cc(F)c(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1OC ZINC000470961197 885459370 /nfs/dbraw/zinc/45/93/70/885459370.db2.gz VXZCLWNNIHPMGG-UHFFFAOYSA-N 0 0 417.418 4.435 20 5 HIBDRN Cc1ccc([C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccn2)cc1 ZINC000471077167 885601949 /nfs/dbraw/zinc/60/19/49/885601949.db2.gz ZALIGDSROCXEQZ-NRFANRHFSA-N 0 0 410.861 4.269 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000471112955 885648559 /nfs/dbraw/zinc/64/85/59/885648559.db2.gz MYKKPDKCRNDXNJ-UHFFFAOYSA-N 0 0 413.257 4.247 20 5 HIBDRN Cn1nc(C(F)F)c2cc(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)sc21 ZINC000471121681 885659266 /nfs/dbraw/zinc/65/92/66/885659266.db2.gz JGAXLDKWTGUHSW-UHFFFAOYSA-N 0 0 400.794 4.064 20 5 HIBDRN Cc1cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c(Br)s1 ZINC000471147456 885693034 /nfs/dbraw/zinc/69/30/34/885693034.db2.gz LJIGHPQBDGIJHE-UHFFFAOYSA-N 0 0 413.249 4.141 20 5 HIBDRN CCOc1ccc(NC(=O)c2c(OCC)cccc2[N+](=O)[O-])cc1Br ZINC000471154017 885703340 /nfs/dbraw/zinc/70/33/40/885703340.db2.gz KPFQESMQMARTQP-UHFFFAOYSA-N 0 0 409.236 4.407 20 5 HIBDRN CN(C)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)nc1 ZINC000471186752 885754177 /nfs/dbraw/zinc/75/41/77/885754177.db2.gz JKZBFMMSNJDTOL-UHFFFAOYSA-N 0 0 422.466 4.095 20 5 HIBDRN CC(C)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(O)c1 ZINC000471216963 885790117 /nfs/dbraw/zinc/79/01/17/885790117.db2.gz UFVDWWXTFWKCOW-UHFFFAOYSA-N 0 0 422.279 4.164 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC)c(Cl)c1 ZINC000504075986 912980561 /nfs/dbraw/zinc/98/05/61/912980561.db2.gz ZZPOBUKPHFAEOY-UHFFFAOYSA-N 0 0 407.879 4.362 20 5 HIBDRN COCCCC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000471336188 885939755 /nfs/dbraw/zinc/93/97/55/885939755.db2.gz LCDCBYCKGLAARX-FQEVSTJZSA-N 0 0 411.502 4.483 20 5 HIBDRN COCCCC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000471336189 885940370 /nfs/dbraw/zinc/94/03/70/885940370.db2.gz LCDCBYCKGLAARX-HXUWFJFHSA-N 0 0 411.502 4.483 20 5 HIBDRN COCCCC[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC000471337307 885941828 /nfs/dbraw/zinc/94/18/28/885941828.db2.gz RXOUIJGWBLQTSQ-NRFANRHFSA-N 0 0 408.458 4.068 20 5 HIBDRN Cc1ccc(OCCCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1C ZINC000471358166 885981114 /nfs/dbraw/zinc/98/11/14/885981114.db2.gz NDAUSCHVPYPDGI-UHFFFAOYSA-N 0 0 400.431 4.171 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccn2)cc1 ZINC000471386932 886034790 /nfs/dbraw/zinc/03/47/90/886034790.db2.gz YPLFLDVXEJXNKM-LJQANCHMSA-N 0 0 413.380 4.419 20 5 HIBDRN Cc1nnc(-c2cc(F)ccc2NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000471389306 886038796 /nfs/dbraw/zinc/03/87/96/886038796.db2.gz AJQIJQIQZPCJHO-UHFFFAOYSA-N 0 0 422.825 4.477 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000471433308 886090691 /nfs/dbraw/zinc/09/06/91/886090691.db2.gz PRQMHDSMOVICAM-TVQRCGJNSA-N 0 0 413.630 4.436 20 5 HIBDRN CCNc1ccc(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)cc1[N+](=O)[O-] ZINC000471450769 886123510 /nfs/dbraw/zinc/12/35/10/886123510.db2.gz JWGVLYGQYUEKKA-UHFFFAOYSA-N 0 0 408.380 4.056 20 5 HIBDRN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000471457602 886133930 /nfs/dbraw/zinc/13/39/30/886133930.db2.gz FRKHIZDIGBTGQM-LPHOPBHVSA-N 0 0 404.470 4.089 20 5 HIBDRN C/C=C/c1ccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])c3ncccc23)c(OC)c1 ZINC000471469962 886160198 /nfs/dbraw/zinc/16/01/98/886160198.db2.gz FQUIAJLLFXNSOJ-WMHVBEDNSA-N 0 0 410.426 4.003 20 5 HIBDRN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000471472190 886164248 /nfs/dbraw/zinc/16/42/48/886164248.db2.gz QYZQANOMXHWJSD-HIFRSBDPSA-N 0 0 403.276 4.451 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000471518264 886220479 /nfs/dbraw/zinc/22/04/79/886220479.db2.gz OYLNRGGWJBBQCG-UHFFFAOYSA-N 0 0 414.805 4.193 20 5 HIBDRN Cc1cc(Br)c(F)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000471532369 886237065 /nfs/dbraw/zinc/23/70/65/886237065.db2.gz QXDIUPINHNPWGV-UHFFFAOYSA-N 0 0 406.211 4.398 20 5 HIBDRN Cc1cc(Br)c(F)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000471536077 886241480 /nfs/dbraw/zinc/24/14/80/886241480.db2.gz HHZZSAFHLWMMSH-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C12CCOCC2 ZINC000471546987 886254890 /nfs/dbraw/zinc/25/48/90/886254890.db2.gz GYOKBVMWRQVKHB-RBUKOAKNSA-N 0 0 422.547 4.047 20 5 HIBDRN O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000471564221 886272668 /nfs/dbraw/zinc/27/26/68/886272668.db2.gz UWTIHLXBAMFCGV-UHFFFAOYSA-N 0 0 408.389 4.308 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)OC(C)C ZINC000471573121 886284101 /nfs/dbraw/zinc/28/41/01/886284101.db2.gz HTIQVBIZBPJYOT-VLIAUNLRSA-N 0 0 404.438 4.129 20 5 HIBDRN CCN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000471589167 886300296 /nfs/dbraw/zinc/30/02/96/886300296.db2.gz ZXRLXQIHCOKGSK-UHFFFAOYSA-N 0 0 424.276 4.054 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@]4(C3)OCc3ccccc34)cc2[N+](=O)[O-])C1 ZINC000471614062 886330632 /nfs/dbraw/zinc/33/06/32/886330632.db2.gz KTUZWBFVSIRYJY-MZNJEOGPSA-N 0 0 421.497 4.103 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)c1 ZINC000471696066 886404145 /nfs/dbraw/zinc/40/41/45/886404145.db2.gz ZJQMSDBVDAIGSE-RBUKOAKNSA-N 0 0 400.500 4.430 20 5 HIBDRN CC(C)n1nc2c(c1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])CCC2 ZINC000471710004 886418795 /nfs/dbraw/zinc/41/87/95/886418795.db2.gz WXMPOLMZULXDGR-UHFFFAOYSA-N 0 0 412.368 4.054 20 5 HIBDRN CCOCCC1(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000471830347 886582889 /nfs/dbraw/zinc/58/28/89/886582889.db2.gz CRWFBTIXHXABOT-UHFFFAOYSA-N 0 0 403.504 4.435 20 5 HIBDRN CCc1ccc(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] ZINC000471870666 886648278 /nfs/dbraw/zinc/64/82/78/886648278.db2.gz LQPXCGRQANOEJA-UHFFFAOYSA-N 0 0 410.499 4.166 20 5 HIBDRN COC(=O)c1ccc(-c2nc(COc3ccc([N+](=O)[O-])c4ncccc34)co2)cc1 ZINC000471877220 886657416 /nfs/dbraw/zinc/65/74/16/886657416.db2.gz PYYBTXLVWKVPLA-UHFFFAOYSA-N 0 0 405.366 4.164 20 5 HIBDRN CCc1ccc(C(=O)Nc2c(C)cnn2Cc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000471879092 886659196 /nfs/dbraw/zinc/65/91/96/886659196.db2.gz YRZREDDBNWVYGH-UHFFFAOYSA-N 0 0 400.385 4.241 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000471910970 886695844 /nfs/dbraw/zinc/69/58/44/886695844.db2.gz KMYZDJCUXQHAPU-UHFFFAOYSA-N 0 0 424.501 4.142 20 5 HIBDRN Cc1cc(Br)c(F)cc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000471969924 886801572 /nfs/dbraw/zinc/80/15/72/886801572.db2.gz VLQPBLYQKQEWFI-UHFFFAOYSA-N 0 0 407.199 4.467 20 5 HIBDRN O=C(NCCc1ccccc1OC(F)F)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000472081470 886882653 /nfs/dbraw/zinc/88/26/53/886882653.db2.gz AUYRHRMDYLGJSP-UHFFFAOYSA-N 0 0 417.315 4.162 20 5 HIBDRN O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000472133904 886926436 /nfs/dbraw/zinc/92/64/36/886926436.db2.gz CZQJCOAPZNHCBM-UHFFFAOYSA-N 0 0 411.364 4.055 20 5 HIBDRN COCCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000472169348 886969573 /nfs/dbraw/zinc/96/95/73/886969573.db2.gz FOKJZRMNRUVODJ-KRWDZBQOSA-N 0 0 405.882 4.085 20 5 HIBDRN COCCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CCC1 ZINC000472173332 886973003 /nfs/dbraw/zinc/97/30/03/886973003.db2.gz OQYFUUPAFOYVEG-UHFFFAOYSA-N 0 0 414.458 4.332 20 5 HIBDRN CSc1cccc(C)c1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000472227234 887031690 /nfs/dbraw/zinc/03/16/90/887031690.db2.gz VKYPSTXRIONKRR-UHFFFAOYSA-N 0 0 415.500 4.157 20 5 HIBDRN Cc1ccc(SC[C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000472281469 887099351 /nfs/dbraw/zinc/09/93/51/887099351.db2.gz UATMFAFMJMXTTQ-KRWDZBQOSA-N 0 0 413.543 4.417 20 5 HIBDRN O=C(c1ccc2nc(C(F)(F)F)cn2c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000472339158 887174283 /nfs/dbraw/zinc/17/42/83/887174283.db2.gz SJNUCLDYFTYCMY-KRWDZBQOSA-N 0 0 422.388 4.149 20 5 HIBDRN CC(C)(C)c1cnc(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000472378155 887219520 /nfs/dbraw/zinc/21/95/20/887219520.db2.gz CJMHNMTYOQGEBW-UHFFFAOYSA-N 0 0 414.384 4.018 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000472416574 887265246 /nfs/dbraw/zinc/26/52/46/887265246.db2.gz PMRMNKKUIGCDFP-NSHDSACASA-N 0 0 400.822 4.352 20 5 HIBDRN O=C(NCCOCC(F)F)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000472437931 887285031 /nfs/dbraw/zinc/28/50/31/887285031.db2.gz FCJLMKBRGJLOHB-UHFFFAOYSA-N 0 0 416.833 4.411 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000472464631 887323491 /nfs/dbraw/zinc/32/34/91/887323491.db2.gz IOPILFIELZPEFZ-VIFPVBQESA-N 0 0 413.381 4.313 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(OC(F)F)c1 ZINC000472505778 887373391 /nfs/dbraw/zinc/37/33/91/887373391.db2.gz URFVBNBGRUBPCC-ZDUSSCGKSA-N 0 0 419.363 4.021 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000472546536 887427614 /nfs/dbraw/zinc/42/76/14/887427614.db2.gz ZVFZFWSLIACXAD-NRFANRHFSA-N 0 0 421.428 4.163 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000472568186 887454832 /nfs/dbraw/zinc/45/48/32/887454832.db2.gz FBRPMVWCNASYIG-HNNXBMFYSA-N 0 0 421.428 4.009 20 5 HIBDRN CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000472619178 887487394 /nfs/dbraw/zinc/48/73/94/887487394.db2.gz FHZIFBBUKLVTDS-GFCCVEGCSA-N 0 0 405.451 4.050 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1Oc1ccccc1 ZINC000472628178 887492901 /nfs/dbraw/zinc/49/29/01/887492901.db2.gz HFWVZXVSRSUTOJ-CQSZACIVSA-N 0 0 423.400 4.342 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2sc(C)nc2CC(C)C)cc1[N+](=O)[O-] ZINC000472700622 887553044 /nfs/dbraw/zinc/55/30/44/887553044.db2.gz FGWSOZXKILOGLW-UHFFFAOYSA-N 0 0 409.533 4.439 20 5 HIBDRN Cc1ccc(O[C@H](C)C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(Br)c1 ZINC000504306050 913156940 /nfs/dbraw/zinc/15/69/40/913156940.db2.gz ZGNDOXRGHBQXIC-QWHCGFSZSA-N 0 0 419.275 4.411 20 5 HIBDRN C[C@@H](N(Cc1ccccc1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000472730470 887577302 /nfs/dbraw/zinc/57/73/02/887577302.db2.gz BSNIWJPSCJDQHF-CQSZACIVSA-N 0 0 401.438 4.136 20 5 HIBDRN Cc1ccccc1CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000504317576 913163677 /nfs/dbraw/zinc/16/36/77/913163677.db2.gz GFBRUELHPRZOCY-UHFFFAOYSA-N 0 0 421.419 4.203 20 5 HIBDRN COc1ccc(C(=O)CCCCc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cc1 ZINC000472794649 887641339 /nfs/dbraw/zinc/64/13/39/887641339.db2.gz TUFMVZNYWQNUEI-UHFFFAOYSA-N 0 0 409.442 4.481 20 5 HIBDRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(OCC2CC2)c1 ZINC000472818230 887662114 /nfs/dbraw/zinc/66/21/14/887662114.db2.gz SGWJIUIQMJBINH-UHFFFAOYSA-N 0 0 408.357 4.246 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]43)cc2[N+](=O)[O-])n1 ZINC000472895395 887744041 /nfs/dbraw/zinc/74/40/41/887744041.db2.gz HSEVZAVLUINUDY-IIAWOOMASA-N 0 0 419.528 4.198 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)cc1 ZINC000472911267 887756927 /nfs/dbraw/zinc/75/69/27/887756927.db2.gz CCSWESDSZGBTHR-MISYRCLQSA-N 0 0 412.442 4.083 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2cc(Cl)c(=O)n(C)c2)cc1[N+](=O)[O-] ZINC000472925715 887772269 /nfs/dbraw/zinc/77/22/69/887772269.db2.gz MZUIBFYVQRPSSY-UHFFFAOYSA-N 0 0 409.895 4.337 20 5 HIBDRN CO[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000472951753 887801034 /nfs/dbraw/zinc/80/10/34/887801034.db2.gz KHOWGVJAJWFWDG-GOEBONIOSA-N 0 0 403.866 4.158 20 5 HIBDRN COc1cc(C(=O)NC2(Cc3ccccc3)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000472976640 887821107 /nfs/dbraw/zinc/82/11/07/887821107.db2.gz HLFOLNSVDPNMEC-UHFFFAOYSA-N 0 0 406.385 4.100 20 5 HIBDRN COc1cccc(C=C2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC2)c1 ZINC000472977880 887822166 /nfs/dbraw/zinc/82/21/66/887822166.db2.gz LKEJGTXGMQTSOI-UHFFFAOYSA-N 0 0 418.453 4.109 20 5 HIBDRN COc1cccc(C=C2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000473014617 887842572 /nfs/dbraw/zinc/84/25/72/887842572.db2.gz KLCMMSRVFDHWTJ-UHFFFAOYSA-N 0 0 415.877 4.375 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000473229606 888002263 /nfs/dbraw/zinc/00/22/63/888002263.db2.gz FWBPSRINWYVIIR-LJQANCHMSA-N 0 0 406.442 4.118 20 5 HIBDRN COc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)C)cc2C(C)C)cc1[N+](=O)[O-] ZINC000473233930 888004647 /nfs/dbraw/zinc/00/46/47/888004647.db2.gz BMKYAZJWPZOMDC-UHFFFAOYSA-N 0 0 413.474 4.105 20 5 HIBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl ZINC000473407057 888124694 /nfs/dbraw/zinc/12/46/94/888124694.db2.gz MZGMPECOGFXRCR-UHFFFAOYSA-N 0 0 420.212 4.318 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000504402025 913222293 /nfs/dbraw/zinc/22/22/93/913222293.db2.gz URVDDQRQSSZIBJ-LLVKDONJSA-N 0 0 409.423 4.038 20 5 HIBDRN CCCCCC(=O)NC1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000473504141 888230450 /nfs/dbraw/zinc/23/04/50/888230450.db2.gz AXAIZGAGTCBKON-UHFFFAOYSA-N 0 0 412.328 4.331 20 5 HIBDRN COc1ccc(-c2nc(SCc3cccc([N+](=O)[O-])c3)n[nH]2)cc1Br ZINC000473510955 888239571 /nfs/dbraw/zinc/23/95/71/888239571.db2.gz RKUKCODGTJSLOQ-UHFFFAOYSA-N 0 0 421.276 4.443 20 5 HIBDRN COc1cc(N[C@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000473514360 888244794 /nfs/dbraw/zinc/24/47/94/888244794.db2.gz USGJLXDNCSJJBD-INIZCTEOSA-N 0 0 408.458 4.241 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1)c1cc2ccccc2o1 ZINC000473516281 888246936 /nfs/dbraw/zinc/24/69/36/888246936.db2.gz BBWUAIPRYQOQRY-QGZVFWFLSA-N 0 0 416.437 4.288 20 5 HIBDRN COCCCC[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000473517183 888248714 /nfs/dbraw/zinc/24/87/14/888248714.db2.gz HFZRNDNJNVCWFQ-LJQANCHMSA-N 0 0 409.442 4.136 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000473656257 888405233 /nfs/dbraw/zinc/40/52/33/888405233.db2.gz AJHROPKEHXOAPQ-DOTOQJQBSA-N 0 0 409.417 4.113 20 5 HIBDRN CCOC1CC(CCNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000473724486 888501225 /nfs/dbraw/zinc/50/12/25/888501225.db2.gz PGWDYOWTJDWCLS-UHFFFAOYSA-N 0 0 419.503 4.013 20 5 HIBDRN Cc1cc(NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000473764391 888560379 /nfs/dbraw/zinc/56/03/79/888560379.db2.gz MKLYUABKUCVDGG-INIZCTEOSA-N 0 0 406.446 4.100 20 5 HIBDRN Cc1cc(NC(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000473771795 888570614 /nfs/dbraw/zinc/57/06/14/888570614.db2.gz FYLLNSFGXFTRDA-KRWDZBQOSA-N 0 0 407.373 4.110 20 5 HIBDRN Cc1cc(NC(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000473780562 888585198 /nfs/dbraw/zinc/58/51/98/888585198.db2.gz BNNMVKARQMDHET-UHFFFAOYSA-N 0 0 406.446 4.100 20 5 HIBDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000473788202 888599661 /nfs/dbraw/zinc/59/96/61/888599661.db2.gz PUQCNBGJTXEIRU-HNNXBMFYSA-N 0 0 419.441 4.433 20 5 HIBDRN O=c1nc(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]c2sc3c(c21)CCCC3 ZINC000473790042 888602935 /nfs/dbraw/zinc/60/29/35/888602935.db2.gz SYMMGYQNJDYBSU-UHFFFAOYSA-N 0 0 413.484 4.353 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000473859373 888711743 /nfs/dbraw/zinc/71/17/43/888711743.db2.gz BDFFWTNUYBOUSQ-KRWDZBQOSA-N 0 0 409.486 4.000 20 5 HIBDRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000473955554 888827499 /nfs/dbraw/zinc/82/74/99/888827499.db2.gz GAMKSCJSMJRKKH-CQSZACIVSA-N 0 0 419.503 4.047 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2cnn(Cc3csc(-c4ccc5c(c4)OCO5)n3)c2)cc1 ZINC000504493987 913283548 /nfs/dbraw/zinc/28/35/48/913283548.db2.gz SLOMITSKNFLRQH-UHFFFAOYSA-N 0 0 406.423 4.359 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H](OCc2ccccn2)C1 ZINC000473994073 888854995 /nfs/dbraw/zinc/85/49/95/888854995.db2.gz VFYIMHMMEBOLPW-FQEVSTJZSA-N 0 0 419.437 4.213 20 5 HIBDRN CC[C@@H](NC(=O)N1CCC(Nc2nc(C)cs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000474034850 888881658 /nfs/dbraw/zinc/88/16/58/888881658.db2.gz UPWPRBZVPJGSSG-QGZVFWFLSA-N 0 0 403.508 4.097 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(I)c(C)cc1C ZINC000474072381 888899753 /nfs/dbraw/zinc/89/97/53/888899753.db2.gz IFRTVTYSKAZALB-UHFFFAOYSA-N 0 0 410.211 4.377 20 5 HIBDRN C[C@H](NC(=O)NCCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000474118011 888937711 /nfs/dbraw/zinc/93/77/11/888937711.db2.gz QEOBSJMNKXNYSO-ZDUSSCGKSA-N 0 0 411.380 4.139 20 5 HIBDRN Cc1ccc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Br ZINC000474152606 888984059 /nfs/dbraw/zinc/98/40/59/888984059.db2.gz VCLXSCPLTYACMD-UHFFFAOYSA-N 0 0 403.276 4.399 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1[N+](=O)[O-] ZINC000474163489 889003247 /nfs/dbraw/zinc/00/32/47/889003247.db2.gz GQFSTUGECWOCPO-UHFFFAOYSA-N 0 0 410.396 4.411 20 5 HIBDRN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)NCCc1cccc(Cl)c1Cl ZINC000504515958 913301991 /nfs/dbraw/zinc/30/19/91/913301991.db2.gz PDSHSOLPFOCSHC-UHFFFAOYSA-N 0 0 419.268 4.124 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)cc1OC ZINC000474275359 889139490 /nfs/dbraw/zinc/13/94/90/889139490.db2.gz PFJNNVYMYIOWTO-JKSUJKDBSA-N 0 0 422.522 4.353 20 5 HIBDRN Cn1c(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000474288497 889154556 /nfs/dbraw/zinc/15/45/56/889154556.db2.gz KSOHEXAFVNIODU-LLVKDONJSA-N 0 0 409.286 4.376 20 5 HIBDRN CCc1onc(-c2ccccc2Cl)c1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000474291269 889157475 /nfs/dbraw/zinc/15/74/75/889157475.db2.gz JXCAGTHNDRPUEF-UHFFFAOYSA-N 0 0 414.849 4.308 20 5 HIBDRN COC(=O)COc1ccc(CN[C@@H](c2ccccc2)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000474362700 889240379 /nfs/dbraw/zinc/24/03/79/889240379.db2.gz KFMGYQVHGGDHPM-QHCPKHFHSA-N 0 0 424.428 4.165 20 5 HIBDRN Cc1cc(=O)n(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] ZINC000474386865 889258964 /nfs/dbraw/zinc/25/89/64/889258964.db2.gz FHZWRSLVFPAORO-UHFFFAOYSA-N 0 0 413.817 4.149 20 5 HIBDRN COc1cc(CN(C(=O)c2cccc([N+](=O)[O-])c2OC)C2CC2)ccc1OC(F)F ZINC000474388460 889260341 /nfs/dbraw/zinc/26/03/41/889260341.db2.gz FPSPUXIPYYUOOO-UHFFFAOYSA-N 0 0 422.384 4.018 20 5 HIBDRN COc1ccc([C@H]2C[C@H](N[C@@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000504561047 913333480 /nfs/dbraw/zinc/33/34/80/913333480.db2.gz NEPRLLIIFVAYLS-CBGDNZLLSA-N 0 0 410.449 4.101 20 5 HIBDRN C/C=C\C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000474619106 889481927 /nfs/dbraw/zinc/48/19/27/889481927.db2.gz DTOGQQJFYOQUHX-SFAKSCPVSA-N 0 0 406.891 4.456 20 5 HIBDRN C/C=C/C[C@@H](CO)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000474631508 889494162 /nfs/dbraw/zinc/49/41/62/889494162.db2.gz GFKDPGARNRAYRU-HSWBROFVSA-N 0 0 406.891 4.456 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2cccnc2)cc1 ZINC000474732945 889588429 /nfs/dbraw/zinc/58/84/29/889588429.db2.gz NUZGGKJXDGECGD-INIZCTEOSA-N 0 0 413.437 4.334 20 5 HIBDRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474737721 889592987 /nfs/dbraw/zinc/59/29/87/889592987.db2.gz DWNGPTZUUXBVIG-HUUCEWRRSA-N 0 0 417.893 4.019 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(COCC(F)(F)F)cc1 ZINC000474780545 889638500 /nfs/dbraw/zinc/63/85/00/889638500.db2.gz MPCSNLMXTNTILQ-UHFFFAOYSA-N 0 0 420.185 4.443 20 5 HIBDRN COC(=O)c1cc(NCc2ccnc(Oc3ccc(OC)cc3)c2)cc(C)c1[N+](=O)[O-] ZINC000474780217 889639039 /nfs/dbraw/zinc/63/90/39/889639039.db2.gz NLYIAQONZIHAOD-UHFFFAOYSA-N 0 0 423.425 4.498 20 5 HIBDRN COC(=O)c1cc(NCCc2nc(-c3cccc(Cl)c3)no2)cc(C)c1[N+](=O)[O-] ZINC000474790500 889647257 /nfs/dbraw/zinc/64/72/57/889647257.db2.gz MQCVBLRQLXGGHQ-UHFFFAOYSA-N 0 0 416.821 4.048 20 5 HIBDRN COc1c(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cccc1[N+](=O)[O-] ZINC000474955223 889811062 /nfs/dbraw/zinc/81/10/62/889811062.db2.gz QFUWRMCWCAZGRC-UHFFFAOYSA-N 0 0 416.327 4.273 20 5 HIBDRN COc1c(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000474954727 889811319 /nfs/dbraw/zinc/81/13/19/889811319.db2.gz PZIACJUFJYTKAI-UHFFFAOYSA-N 0 0 422.485 4.479 20 5 HIBDRN COc1c(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cccc1[N+](=O)[O-] ZINC000474974174 889829499 /nfs/dbraw/zinc/82/94/99/889829499.db2.gz SPFLBVBGTAJZSN-UHFFFAOYSA-N 0 0 422.393 4.163 20 5 HIBDRN COc1c(C(=O)Nc2ccccc2-c2nnc(-c3ccccc3)[nH]2)cccc1[N+](=O)[O-] ZINC000475024963 889876972 /nfs/dbraw/zinc/87/69/72/889876972.db2.gz VQYBIOYJJDFWDY-UHFFFAOYSA-N 0 0 415.409 4.308 20 5 HIBDRN COc1cc(CN(CCO)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475134595 890001188 /nfs/dbraw/zinc/00/11/88/890001188.db2.gz ZILOWOMHJIPZON-UHFFFAOYSA-N 0 0 408.454 4.181 20 5 HIBDRN COc1c(C(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)cccc1[N+](=O)[O-] ZINC000475163893 890028813 /nfs/dbraw/zinc/02/88/13/890028813.db2.gz KQSIJMSXUYGTAL-UHFFFAOYSA-N 0 0 402.410 4.409 20 5 HIBDRN COc1c(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)cccc1[N+](=O)[O-] ZINC000475180260 890050174 /nfs/dbraw/zinc/05/01/74/890050174.db2.gz DQMPTSWFEOHRCV-UHFFFAOYSA-N 0 0 405.382 4.181 20 5 HIBDRN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475182359 890052686 /nfs/dbraw/zinc/05/26/86/890052686.db2.gz FOGUGOQBINWRJT-MUUNZHRXSA-N 0 0 415.393 4.015 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCO[C@H](c2ccccc2F)C1 ZINC000475202848 890071062 /nfs/dbraw/zinc/07/10/62/890071062.db2.gz BFDVHZBYAHVWSC-INIZCTEOSA-N 0 0 413.327 4.358 20 5 HIBDRN Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475202427 890071337 /nfs/dbraw/zinc/07/13/37/890071337.db2.gz DLGZPPRWOFLJJU-UHFFFAOYSA-N 0 0 424.379 4.333 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(-n2cncn2)cc1 ZINC000475205930 890076341 /nfs/dbraw/zinc/07/63/41/890076341.db2.gz SQLIUGDPTLEIFI-NSHDSACASA-N 0 0 420.351 4.077 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000475225923 890096229 /nfs/dbraw/zinc/09/62/29/890096229.db2.gz VZNQYTQFZIBDAU-AWEZNQCLSA-N 0 0 413.352 4.420 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000475231475 890101225 /nfs/dbraw/zinc/10/12/25/890101225.db2.gz HTUZBWZTEGKUBS-SFHVURJKSA-N 0 0 423.391 4.419 20 5 HIBDRN CN(c1ccccc1)c1ccc(CNCc2ncnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000475280708 890177576 /nfs/dbraw/zinc/17/75/76/890177576.db2.gz OSWDAGBLEGIUTA-UHFFFAOYSA-N 0 0 414.469 4.233 20 5 HIBDRN Cc1nc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)ccc1[N+](=O)[O-] ZINC000475315531 890231538 /nfs/dbraw/zinc/23/15/38/890231538.db2.gz AABSJPQAISTCEP-UHFFFAOYSA-N 0 0 421.438 4.232 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000475364135 890293806 /nfs/dbraw/zinc/29/38/06/890293806.db2.gz ZVAKDRBPGJXPCL-FCHUYYIVSA-N 0 0 417.469 4.011 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[C@H]1CC(=O)c2ccccc21 ZINC000475483170 890388726 /nfs/dbraw/zinc/38/87/26/890388726.db2.gz ZPNKHARAYWZVSP-SFHVURJKSA-N 0 0 400.390 4.135 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCCOc2ccccc21 ZINC000504715249 913450421 /nfs/dbraw/zinc/45/04/21/913450421.db2.gz IUDRCTSXHPHLFX-OAHLLOKOSA-N 0 0 423.391 4.446 20 5 HIBDRN COc1c(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cccc1[N+](=O)[O-] ZINC000475530188 890454366 /nfs/dbraw/zinc/45/43/66/890454366.db2.gz MXZMGBVZLAXNOF-UHFFFAOYSA-N 0 0 421.240 4.407 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000504727025 913462961 /nfs/dbraw/zinc/46/29/61/913462961.db2.gz YMPPWOSRQUBJRZ-QGZVFWFLSA-N 0 0 412.471 4.427 20 5 HIBDRN COc1ccc(CCNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1OC(F)F ZINC000475575673 890505885 /nfs/dbraw/zinc/50/58/85/890505885.db2.gz PKNNUMGRSBXNCV-UHFFFAOYSA-N 0 0 409.389 4.186 20 5 HIBDRN CC[C@@H](NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000475639629 890580436 /nfs/dbraw/zinc/58/04/36/890580436.db2.gz FUCBMLROQVNBKX-WIYYLYMNSA-N 0 0 422.489 4.301 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000475641156 890582825 /nfs/dbraw/zinc/58/28/25/890582825.db2.gz SNOBEZKQTXRGAI-AWEZNQCLSA-N 0 0 411.462 4.378 20 5 HIBDRN CCN(CC)C(=O)CCC1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000475644025 890585711 /nfs/dbraw/zinc/58/57/11/890585711.db2.gz XWSDXKNEAVDLJQ-UHFFFAOYSA-N 0 0 404.511 4.104 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000475727945 890665320 /nfs/dbraw/zinc/66/53/20/890665320.db2.gz REDSHHBQRWRYKY-UHFFFAOYSA-N 0 0 420.853 4.024 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000475727296 890665453 /nfs/dbraw/zinc/66/54/53/890665453.db2.gz DMXCQOANCLLTKE-UHFFFAOYSA-N 0 0 409.255 4.070 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCCOc4ccccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000504746898 913485694 /nfs/dbraw/zinc/48/56/94/913485694.db2.gz BQXMZDDPKZQYSX-HXUWFJFHSA-N 0 0 420.469 4.100 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])[C@H]1CC(=O)c2ccccc21 ZINC000475843905 890778296 /nfs/dbraw/zinc/77/82/96/890778296.db2.gz CCYRDOHARBVSBL-IBGZPJMESA-N 0 0 402.406 4.483 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1oc2ccccc2c1OC ZINC000475872002 890808856 /nfs/dbraw/zinc/80/88/56/890808856.db2.gz YICKFWADJFSISP-UHFFFAOYSA-N 0 0 416.455 4.018 20 5 HIBDRN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000476120702 891043292 /nfs/dbraw/zinc/04/32/92/891043292.db2.gz VVZQAXGOXYQREQ-AWEZNQCLSA-N 0 0 418.877 4.360 20 5 HIBDRN O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476143871 891066502 /nfs/dbraw/zinc/06/65/02/891066502.db2.gz JJJBRTMFPSMYCH-UHFFFAOYSA-N 0 0 411.364 4.259 20 5 HIBDRN O=C(NCc1cccc(COCC(F)(F)F)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000476159472 891084500 /nfs/dbraw/zinc/08/45/00/891084500.db2.gz NVWVDLNHNHMEDI-UHFFFAOYSA-N 0 0 407.348 4.085 20 5 HIBDRN Cc1c(C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000476204195 891135271 /nfs/dbraw/zinc/13/52/71/891135271.db2.gz QUEBXVNCGJNIPX-RXVVDRJESA-N 0 0 419.485 4.015 20 5 HIBDRN COc1c(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000476233638 891157070 /nfs/dbraw/zinc/15/70/70/891157070.db2.gz DVZZNCOJFTUMOJ-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CC(C)(C)[C@H]3c3ccncc3)cc2[N+](=O)[O-])CC1 ZINC000476286873 891204631 /nfs/dbraw/zinc/20/46/31/891204631.db2.gz GYJOSHXMXVMMAJ-OAQYLSRUSA-N 0 0 408.502 4.449 20 5 HIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(F)c(Br)cc1Cl ZINC000476456731 891370289 /nfs/dbraw/zinc/37/02/89/891370289.db2.gz ZZASYJVDCYVOJJ-UHFFFAOYSA-N 0 0 413.590 4.278 20 5 HIBDRN CCCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000504830208 913550693 /nfs/dbraw/zinc/55/06/93/913550693.db2.gz FNBUMOINPZPPJI-UHFFFAOYSA-N 0 0 404.470 4.391 20 5 HIBDRN CCc1cccc(CC)c1Nc1nnc(SCc2c([N+](=O)[O-])ncn2C)s1 ZINC000476516535 891432073 /nfs/dbraw/zinc/43/20/73/891432073.db2.gz YNJNEKJBTPLMGN-UHFFFAOYSA-N 0 0 404.521 4.341 20 5 HIBDRN O=C(NC[C@H]1CC[C@H](O)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000476551095 891466597 /nfs/dbraw/zinc/46/65/97/891466597.db2.gz RHGHSHISRPUIMK-JSGCOSHPSA-N 0 0 406.891 4.290 20 5 HIBDRN COc1nn(C)cc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000476574752 891496726 /nfs/dbraw/zinc/49/67/26/891496726.db2.gz OJNGVCUYHAYAPZ-UHFFFAOYSA-N 0 0 402.794 4.035 20 5 HIBDRN CC(C)CN([C@H]1CCCc2cccnc21)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000476642653 891581715 /nfs/dbraw/zinc/58/17/15/891581715.db2.gz XIICZRDISOYADA-INIZCTEOSA-N 0 0 423.922 4.368 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)cc([N+](=O)[O-])c1OC ZINC000476699097 891655312 /nfs/dbraw/zinc/65/53/12/891655312.db2.gz OJEAYPYWHFRZLF-UHFFFAOYSA-N 0 0 417.418 4.435 20 5 HIBDRN O=C(Nc1n[nH]c2cc(F)ccc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000476805533 891791824 /nfs/dbraw/zinc/79/18/24/891791824.db2.gz PMWYZAKEMPRUBS-UHFFFAOYSA-N 0 0 408.339 4.227 20 5 HIBDRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000476993664 891920499 /nfs/dbraw/zinc/92/04/99/891920499.db2.gz IKACVQWVCFBAKO-FZKQIMNGSA-N 0 0 423.391 4.014 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000476997842 891924190 /nfs/dbraw/zinc/92/41/90/891924190.db2.gz RXFWBPCXPNPKLG-UGSOOPFHSA-N 0 0 423.391 4.014 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000477042506 891968482 /nfs/dbraw/zinc/96/84/82/891968482.db2.gz XOAIIAODSDRLRA-FQEVSTJZSA-N 0 0 410.451 4.057 20 5 HIBDRN CN(C)S(=O)(=O)c1ccc(Nc2cccc(CCC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000477112072 892044229 /nfs/dbraw/zinc/04/42/29/892044229.db2.gz QEAGTKOOIVQZSH-UHFFFAOYSA-N 0 0 417.409 4.084 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2ccc(Br)o2)no1 ZINC000477186046 892105549 /nfs/dbraw/zinc/10/55/49/892105549.db2.gz CYLHXKRPDMMVBE-UHFFFAOYSA-N 0 0 414.599 4.275 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000477224888 892159804 /nfs/dbraw/zinc/15/98/04/892159804.db2.gz DEZOPKFYKFUKSZ-CQSZACIVSA-N 0 0 423.391 4.021 20 5 HIBDRN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1c(F)cccc1Cl ZINC000477269937 892220713 /nfs/dbraw/zinc/22/07/13/892220713.db2.gz CQQOUCOMICPEKK-CYBMUJFWSA-N 0 0 405.857 4.481 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c1 ZINC000477358288 892323549 /nfs/dbraw/zinc/32/35/49/892323549.db2.gz WHVHKTCAWVVMKR-UHFFFAOYSA-N 0 0 410.499 4.452 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3csc4ccccc34)CC2)ccc1[N+](=O)[O-] ZINC000477360749 892326106 /nfs/dbraw/zinc/32/61/06/892326106.db2.gz YYKGYOCHITVDPK-UHFFFAOYSA-N 0 0 411.483 4.171 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000477366289 892331082 /nfs/dbraw/zinc/33/10/82/892331082.db2.gz NKULQTNNLKEZFP-UHFFFAOYSA-N 0 0 403.442 4.212 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1nccn1CCCc1ccccc1 ZINC000477376397 892338439 /nfs/dbraw/zinc/33/84/39/892338439.db2.gz HZKCQEPXNFZRES-UHFFFAOYSA-N 0 0 412.877 4.316 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000477392658 892349548 /nfs/dbraw/zinc/34/95/48/892349548.db2.gz MNRQDRRMKQFODW-UHFFFAOYSA-N 0 0 416.890 4.129 20 5 HIBDRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000504918950 913653918 /nfs/dbraw/zinc/65/39/18/913653918.db2.gz LTBLKDZNWPLEPM-MRXNPFEDSA-N 0 0 423.238 4.482 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCCc2ccc(F)cc21 ZINC000477476771 892460378 /nfs/dbraw/zinc/46/03/78/892460378.db2.gz GEMHGTQYJIVTFM-KRWDZBQOSA-N 0 0 407.239 4.233 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000477484903 892473404 /nfs/dbraw/zinc/47/34/04/892473404.db2.gz ZAZNSPVCUVGEDP-OAHLLOKOSA-N 0 0 408.813 4.200 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCCc2ccc(F)cc21 ZINC000477499158 892506061 /nfs/dbraw/zinc/50/60/61/892506061.db2.gz ADYJWKOROHYKMO-NRFANRHFSA-N 0 0 400.453 4.488 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000477554803 892600261 /nfs/dbraw/zinc/60/02/61/892600261.db2.gz WHXYKAKFAUKCGI-IBGZPJMESA-N 0 0 406.360 4.275 20 5 HIBDRN Cc1ccccc1C1(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000477604541 892683825 /nfs/dbraw/zinc/68/38/25/892683825.db2.gz ADUAXSQXTUWXKW-UHFFFAOYSA-N 0 0 402.878 4.343 20 5 HIBDRN CCOC[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000477616983 892716388 /nfs/dbraw/zinc/71/63/88/892716388.db2.gz PGMNEYNXYMUKRK-OAHLLOKOSA-N 0 0 417.893 4.359 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000477620485 892723397 /nfs/dbraw/zinc/72/33/97/892723397.db2.gz VJNVCHYWOUVVFI-UHFFFAOYSA-N 0 0 408.283 4.314 20 5 HIBDRN Cc1nc(-c2ccccc2NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cs1 ZINC000477677348 892806167 /nfs/dbraw/zinc/80/61/67/892806167.db2.gz VHKARZMRWALCIT-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000477680060 892807229 /nfs/dbraw/zinc/80/72/29/892807229.db2.gz MXZZYXHDHNQLSR-ZDUSSCGKSA-N 0 0 410.430 4.015 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000477704303 892818342 /nfs/dbraw/zinc/81/83/42/892818342.db2.gz RMHTWUMGECCCNO-LBPRGKRZSA-N 0 0 400.435 4.254 20 5 HIBDRN CC(C)(C)Oc1cc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000477706494 892819759 /nfs/dbraw/zinc/81/97/59/892819759.db2.gz VQLQNERTQFBAPH-QGZVFWFLSA-N 0 0 401.438 4.124 20 5 HIBDRN O=C(Nc1cccc2c1CCO2)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000477721008 892825944 /nfs/dbraw/zinc/82/59/44/892825944.db2.gz RQAOJLNRMQJNEE-UHFFFAOYSA-N 0 0 419.224 4.275 20 5 HIBDRN COC(=O)c1cnc(NCc2ccc(Oc3ccccc3OC)cc2)c([N+](=O)[O-])c1 ZINC000477748676 892841541 /nfs/dbraw/zinc/84/15/41/892841541.db2.gz ZJSYOPGUIQOWAY-UHFFFAOYSA-N 0 0 409.398 4.189 20 5 HIBDRN COc1ccc(NC(=O)CN(C)C2c3ccccc3-c3ccccc32)c([N+](=O)[O-])c1 ZINC000477749332 892842558 /nfs/dbraw/zinc/84/25/58/892842558.db2.gz VNNRPBPVRLVAPT-UHFFFAOYSA-N 0 0 403.438 4.244 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000477764841 892852694 /nfs/dbraw/zinc/85/26/94/892852694.db2.gz HQRNKWGMBIMGKP-OCCSQVGLSA-N 0 0 406.280 4.198 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000477795349 892871936 /nfs/dbraw/zinc/87/19/36/892871936.db2.gz IBRFSKGLHPIKJM-UHFFFAOYSA-N 0 0 402.834 4.055 20 5 HIBDRN COc1cc(OCC(=O)N2CCC(c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000477807329 892879205 /nfs/dbraw/zinc/87/92/05/892879205.db2.gz BARZPIJSFZWRMI-UHFFFAOYSA-N 0 0 404.850 4.042 20 5 HIBDRN O=C(Nc1ccc(NC(=O)c2ccccc2)cn1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000477885409 892950657 /nfs/dbraw/zinc/95/06/57/892950657.db2.gz CAALTPYSSOVNJC-UHFFFAOYSA-N 0 0 402.366 4.241 20 5 HIBDRN COc1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc([N+](=O)[O-])c1C ZINC000477887086 892950736 /nfs/dbraw/zinc/95/07/36/892950736.db2.gz DMCDHWBBUDPCHJ-UHFFFAOYSA-N 0 0 400.822 4.062 20 5 HIBDRN COc1ccc(N(CCC(C)C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000477891153 892957469 /nfs/dbraw/zinc/95/74/69/892957469.db2.gz BYEFUFQDJAZVNC-UHFFFAOYSA-N 0 0 408.458 4.482 20 5 HIBDRN COC1(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCC1 ZINC000477927262 893015013 /nfs/dbraw/zinc/01/50/13/893015013.db2.gz MUORKLCZKFWMQF-UHFFFAOYSA-N 0 0 406.426 4.171 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000477927520 893016195 /nfs/dbraw/zinc/01/61/95/893016195.db2.gz OIOTWXNRIRJJED-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN Cc1sc(C(=O)Nc2cc(I)ccc2C)cc1[N+](=O)[O-] ZINC000477945002 893035573 /nfs/dbraw/zinc/03/55/73/893035573.db2.gz XMIQTMBPYVYZEQ-UHFFFAOYSA-N 0 0 402.213 4.130 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000477977341 893073772 /nfs/dbraw/zinc/07/37/72/893073772.db2.gz MSOCQCFINYWACS-NXEZZACHSA-N 0 0 413.318 4.183 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000478043976 893184069 /nfs/dbraw/zinc/18/40/69/893184069.db2.gz XNRQUCKJXNVBLT-UHFFFAOYSA-N 0 0 412.671 4.325 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(C(=O)OC)c1F ZINC000478086076 893249872 /nfs/dbraw/zinc/24/98/72/893249872.db2.gz NYHSNYNWOVOYOH-UHFFFAOYSA-N 0 0 410.398 4.414 20 5 HIBDRN C[C@@H](OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000478136636 893307884 /nfs/dbraw/zinc/30/78/84/893307884.db2.gz YEKWKPFHQMOIJD-MRXNPFEDSA-N 0 0 404.422 4.370 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000478159469 893328084 /nfs/dbraw/zinc/32/80/84/893328084.db2.gz SZAHHUKLOYNUQM-HNNXBMFYSA-N 0 0 417.512 4.347 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000478170228 893337617 /nfs/dbraw/zinc/33/76/17/893337617.db2.gz MMUBKMPGSBPCJC-UHFFFAOYSA-N 0 0 405.454 4.192 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@H](c4ccc(F)cc4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000478179927 893344200 /nfs/dbraw/zinc/34/42/00/893344200.db2.gz WEHLFGXRTAKMEQ-FQEVSTJZSA-N 0 0 422.460 4.225 20 5 HIBDRN CCn1c(CNc2ncc([N+](=O)[O-])cc2Cl)nc2cc(Br)ccc21 ZINC000478185085 893349106 /nfs/dbraw/zinc/34/91/06/893349106.db2.gz YZNPDCPSQGIRDS-UHFFFAOYSA-N 0 0 410.659 4.387 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000478209866 893370814 /nfs/dbraw/zinc/37/08/14/893370814.db2.gz TZQIUMDTEXKWFZ-CQSZACIVSA-N 0 0 407.239 4.055 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc([C@H]3CCCN(c4ncccc4C(F)(F)F)C3)n2)c1 ZINC000505024094 913763164 /nfs/dbraw/zinc/76/31/64/913763164.db2.gz KXMSPWKCXVVXCG-ZDUSSCGKSA-N 0 0 419.363 4.443 20 5 HIBDRN COc1cc(CCNC(=O)c2c(C)[nH]c3ccc(Cl)cc32)c([N+](=O)[O-])cc1OC ZINC000478253152 893430246 /nfs/dbraw/zinc/43/02/46/893430246.db2.gz JMSOBOXOPZKYLT-UHFFFAOYSA-N 0 0 417.849 4.028 20 5 HIBDRN Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC000478282095 893488157 /nfs/dbraw/zinc/48/81/57/893488157.db2.gz VCCMXJLJTCMIFN-MRXNPFEDSA-N 0 0 405.227 4.431 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000478288401 893497216 /nfs/dbraw/zinc/49/72/16/893497216.db2.gz QQMGHRHSTBZZMD-UHFFFAOYSA-N 0 0 418.368 4.106 20 5 HIBDRN CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)CCC2 ZINC000478292395 893503810 /nfs/dbraw/zinc/50/38/10/893503810.db2.gz KNTQKGNQVQWLKA-QGZVFWFLSA-N 0 0 414.531 4.364 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(NC(N)=O)c1 ZINC000478324641 893554361 /nfs/dbraw/zinc/55/43/61/893554361.db2.gz PQVLRKHYRXZMDT-UHFFFAOYSA-N 0 0 406.439 4.225 20 5 HIBDRN COc1ccc(OC[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)cc1[N+](=O)[O-] ZINC000478398608 893681650 /nfs/dbraw/zinc/68/16/50/893681650.db2.gz KMNUGLJZGDITAG-YADARESESA-N 0 0 423.465 4.458 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000505069451 913803943 /nfs/dbraw/zinc/80/39/43/913803943.db2.gz XHKUJTRCPXYRSG-ZDUSSCGKSA-N 0 0 406.529 4.484 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000478469168 893796296 /nfs/dbraw/zinc/79/62/96/893796296.db2.gz QWMZICBYXFVWGE-ZUZCIYMTSA-N 0 0 415.298 4.232 20 5 HIBDRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000478485013 893807156 /nfs/dbraw/zinc/80/71/56/893807156.db2.gz SEBSFEYCUSRQES-INIZCTEOSA-N 0 0 421.291 4.125 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c1C ZINC000478489130 893809580 /nfs/dbraw/zinc/80/95/80/893809580.db2.gz MADRLLBYVILDKE-LLVKDONJSA-N 0 0 416.821 4.106 20 5 HIBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000478522818 893828450 /nfs/dbraw/zinc/82/84/50/893828450.db2.gz ORFOFIWLLUBHCP-UHFFFAOYSA-N 0 0 414.849 4.066 20 5 HIBDRN COc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(C)cc1C ZINC000478539592 893839365 /nfs/dbraw/zinc/83/93/65/893839365.db2.gz GBPLWUTWOOKZAA-UHFFFAOYSA-N 0 0 408.458 4.334 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000478553729 893846590 /nfs/dbraw/zinc/84/65/90/893846590.db2.gz NBAKMAZFRPEVDB-MORSLUCNSA-N 0 0 408.401 4.160 20 5 HIBDRN Cn1cc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000478563726 893850461 /nfs/dbraw/zinc/85/04/61/893850461.db2.gz WBLVBHJWIXQJGV-JCNLHEQBSA-N 0 0 410.861 4.325 20 5 HIBDRN CCNC(=O)c1cc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)nc2ccccc21 ZINC000478581602 893858751 /nfs/dbraw/zinc/85/87/51/893858751.db2.gz PAHLSYSPECHYTJ-UHFFFAOYSA-N 0 0 416.384 4.106 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc([N+](=O)[O-])c1C ZINC000478584315 893860260 /nfs/dbraw/zinc/86/02/60/893860260.db2.gz VVCOYHZSKFWBNM-QFIPXVFZSA-N 0 0 416.437 4.308 20 5 HIBDRN CCCCn1ccnc1-c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000478607812 893872558 /nfs/dbraw/zinc/87/25/58/893872558.db2.gz IFVNYUGGSVMCGN-UHFFFAOYSA-N 0 0 422.441 4.282 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1NC(=O)N(C)C ZINC000478646924 893893598 /nfs/dbraw/zinc/89/35/98/893893598.db2.gz BWHXAGWSPJEYEI-UHFFFAOYSA-N 0 0 402.426 4.052 20 5 HIBDRN Cc1ccc(I)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000478649580 893895418 /nfs/dbraw/zinc/89/54/18/893895418.db2.gz FLXUUOODHJQOFO-UHFFFAOYSA-N 0 0 424.238 4.424 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc([N+](=O)[O-])c1C ZINC000478670128 893918572 /nfs/dbraw/zinc/91/85/72/893918572.db2.gz RSXSUDFXBXKBOW-UHFFFAOYSA-N 0 0 406.442 4.364 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)cc([N+](=O)[O-])c1C ZINC000478671866 893922415 /nfs/dbraw/zinc/92/24/15/893922415.db2.gz FZERIRHDELPAHY-CQSZACIVSA-N 0 0 402.447 4.199 20 5 HIBDRN COc1cc(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc([N+](=O)[O-])c1C ZINC000478692858 893951954 /nfs/dbraw/zinc/95/19/54/893951954.db2.gz HWWJZHOMZJLXBQ-UHFFFAOYSA-N 0 0 411.389 4.168 20 5 HIBDRN CC(=O)N[C@H](C)C1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000478704018 893967490 /nfs/dbraw/zinc/96/74/90/893967490.db2.gz YRBAXPVGSVRGSO-OAHLLOKOSA-N 0 0 421.563 4.110 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCc2cccc3ccccc32)cc1OC ZINC000505117030 913825004 /nfs/dbraw/zinc/82/50/04/913825004.db2.gz JSHCSMTZMHBZLT-UHFFFAOYSA-N 0 0 408.454 4.470 20 5 HIBDRN CCOc1cc(OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)ccc1[N+](=O)[O-] ZINC000478731592 894005628 /nfs/dbraw/zinc/00/56/28/894005628.db2.gz RICPAXPJWLWKKQ-UHFFFAOYSA-N 0 0 414.414 4.053 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C3CCCCC3)nn2C)cc1OC ZINC000478754024 894030329 /nfs/dbraw/zinc/03/03/29/894030329.db2.gz DWDLJZARPZRWDY-UHFFFAOYSA-N 0 0 402.451 4.036 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnn(C[C@@H](O)COc3ccc(Cl)cc3Cl)c2)c1 ZINC000478772202 894047398 /nfs/dbraw/zinc/04/73/98/894047398.db2.gz MRZLVGPCUFYBMZ-MRXNPFEDSA-N 0 0 408.241 4.205 20 5 HIBDRN CNc1c(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cccc1[N+](=O)[O-] ZINC000478782816 894059387 /nfs/dbraw/zinc/05/93/87/894059387.db2.gz PBZGYZIBGPRQGD-UHFFFAOYSA-N 0 0 407.814 4.200 20 5 HIBDRN C[C@H](OC[C@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccc(Cl)cc1 ZINC000478791218 894066931 /nfs/dbraw/zinc/06/69/31/894066931.db2.gz BHQFUTJEEKHEEQ-VBKZILBWSA-N 0 0 401.850 4.250 20 5 HIBDRN COc1ccc(Oc2cc(CNC(=O)NCc3cccc([N+](=O)[O-])c3C)ccn2)cc1 ZINC000478797139 894072179 /nfs/dbraw/zinc/07/21/79/894072179.db2.gz NKRMANDJDROSNI-UHFFFAOYSA-N 0 0 422.441 4.099 20 5 HIBDRN CCO[C@H]1C[C@@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000478809683 894083843 /nfs/dbraw/zinc/08/38/43/894083843.db2.gz CPQMTCBSVMVWPC-SJORKVTESA-N 0 0 401.488 4.138 20 5 HIBDRN CCO[C@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C12CCCCC2 ZINC000478852190 894130696 /nfs/dbraw/zinc/13/06/96/894130696.db2.gz VOWSOCCAIGISQF-SFTDATJTSA-N 0 0 415.534 4.055 20 5 HIBDRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc([N+](=O)[O-])cnc3C)s2)cc1 ZINC000505147467 913842452 /nfs/dbraw/zinc/84/24/52/913842452.db2.gz VBCWNZYAISQSHN-GFCCVEGCSA-N 0 0 412.471 4.230 20 5 HIBDRN CCOc1cc(CN(C)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000478887310 894168518 /nfs/dbraw/zinc/16/85/18/894168518.db2.gz RLUIBVVZHCHCMC-UHFFFAOYSA-N 0 0 424.400 4.184 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)ccc1[N+](=O)[O-] ZINC000478898199 894179083 /nfs/dbraw/zinc/17/90/83/894179083.db2.gz OKTJLTDFWGNUBP-UHFFFAOYSA-N 0 0 418.881 4.309 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000478948238 894229903 /nfs/dbraw/zinc/22/99/03/894229903.db2.gz CHPRKHAWXGWTJC-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1cc([N+](=O)[O-])n[nH]1 ZINC000505163409 913854142 /nfs/dbraw/zinc/85/41/42/913854142.db2.gz DOQPCRVIZKKBFL-AWEZNQCLSA-N 0 0 409.833 4.015 20 5 HIBDRN CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000479119865 894388615 /nfs/dbraw/zinc/38/86/15/894388615.db2.gz HSHCXTCTOYHWFE-CQSZACIVSA-N 0 0 410.474 4.350 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000479183019 894450851 /nfs/dbraw/zinc/45/08/51/894450851.db2.gz PFRDCZITNOISJP-NRFANRHFSA-N 0 0 417.465 4.160 20 5 HIBDRN Cc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000479270740 894544158 /nfs/dbraw/zinc/54/41/58/894544158.db2.gz VRHQENODADOFMG-KRWDZBQOSA-N 0 0 423.238 4.019 20 5 HIBDRN Cc1cn(-c2ccccc2Cl)nc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479380928 894682521 /nfs/dbraw/zinc/68/25/21/894682521.db2.gz UQYHNRUFHXNGPU-UHFFFAOYSA-N 0 0 419.268 4.368 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NC[C@H](C)C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000479386276 894687737 /nfs/dbraw/zinc/68/77/37/894687737.db2.gz UIUUZXABDARLQI-QMMMGPOBSA-N 0 0 405.423 4.439 20 5 HIBDRN O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000479391462 894693587 /nfs/dbraw/zinc/69/35/87/894693587.db2.gz QGNXGBLVUGONOA-IBGZPJMESA-N 0 0 406.417 4.286 20 5 HIBDRN CCC(=O)c1ccc(NCC(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000479399768 894703376 /nfs/dbraw/zinc/70/33/76/894703376.db2.gz XIJVZOUUNCSKNI-UHFFFAOYSA-N 0 0 406.236 4.001 20 5 HIBDRN COc1ccc(OCc2nc(-c3ccc(Br)s3)no2)cc1[N+](=O)[O-] ZINC000479403054 894707164 /nfs/dbraw/zinc/70/71/64/894707164.db2.gz WYTXTEJCPDKFHX-UHFFFAOYSA-N 0 0 412.221 4.056 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OCC ZINC000505239394 913899205 /nfs/dbraw/zinc/89/92/05/913899205.db2.gz NELVRIWPPHQSKX-CYBMUJFWSA-N 0 0 403.435 4.284 20 5 HIBDRN CNC(=O)c1ccc(NC(c2cccc(OC)c2)c2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000479464384 894788337 /nfs/dbraw/zinc/78/83/37/894788337.db2.gz LXMYOCFHQVWBOX-UHFFFAOYSA-N 0 0 421.453 4.173 20 5 HIBDRN O=[N+]([O-])c1cc(CSCc2ccc(Cl)cc2-n2cncn2)c2c(c1)COCO2 ZINC000479613152 894885347 /nfs/dbraw/zinc/88/53/47/894885347.db2.gz YVCGZEAXTQSJJF-UHFFFAOYSA-N 0 0 418.862 4.129 20 5 HIBDRN CC(C)(C)OCc1cccc(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000479617298 894887853 /nfs/dbraw/zinc/88/78/53/894887853.db2.gz LPNLKNNGHOEDAO-UHFFFAOYSA-N 0 0 408.458 4.026 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)cc1OC ZINC000479671637 894951665 /nfs/dbraw/zinc/95/16/65/894951665.db2.gz GTEZNOAMEHHRKY-BUXKBTBVSA-N 0 0 422.865 4.162 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000479676608 894958801 /nfs/dbraw/zinc/95/88/01/894958801.db2.gz OXDUOGGRNFLIQV-SNVBAGLBSA-N 0 0 421.379 4.010 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC2(CCCC2)c2c1cccc2F ZINC000479714041 895010902 /nfs/dbraw/zinc/01/09/02/895010902.db2.gz JIOZPJVLFWDBKT-UHFFFAOYSA-N 0 0 406.417 4.392 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)ccc1OC(C)C ZINC000479715038 895012394 /nfs/dbraw/zinc/01/23/94/895012394.db2.gz CRBZCGSGUPADHN-HNNXBMFYSA-N 0 0 424.457 4.067 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000479732345 895031241 /nfs/dbraw/zinc/03/12/41/895031241.db2.gz XMYIKTOFPDJODT-JLTOFOAXSA-N 0 0 417.893 4.354 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(C)onc1-c1cccc(Cl)c1 ZINC000479744362 895043497 /nfs/dbraw/zinc/04/34/97/895043497.db2.gz LDKIWAPEOWBAGG-UHFFFAOYSA-N 0 0 401.806 4.150 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000479746444 895045680 /nfs/dbraw/zinc/04/56/80/895045680.db2.gz OKLYMEMQSMEGOB-OAHLLOKOSA-N 0 0 400.454 4.389 20 5 HIBDRN Cc1cc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)sc1Br ZINC000479751690 895050945 /nfs/dbraw/zinc/05/09/45/895050945.db2.gz JKVZFQLRTPRIFC-YFHOEESVSA-N 0 0 418.272 4.381 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000479753333 895051948 /nfs/dbraw/zinc/05/19/48/895051948.db2.gz KVVUWUUIMOFZLM-VMDGZTHMSA-N 0 0 413.474 4.191 20 5 HIBDRN Cc1c(CNC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000479754692 895054514 /nfs/dbraw/zinc/05/45/14/895054514.db2.gz MYPCBXXFWRLOIK-HNNXBMFYSA-N 0 0 422.407 4.000 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000479770385 895071661 /nfs/dbraw/zinc/07/16/61/895071661.db2.gz GYAHZLBBKDPIQI-ZNOIYHFQSA-N 0 0 413.474 4.191 20 5 HIBDRN COC(=O)c1ccc([C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000479771672 895073859 /nfs/dbraw/zinc/07/38/59/895073859.db2.gz OOEPECZTGSBASF-OAHLLOKOSA-N 0 0 411.336 4.115 20 5 HIBDRN O=C(N[C@H](CC1CCCC1)c1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000505278221 913935494 /nfs/dbraw/zinc/93/54/94/913935494.db2.gz JDVVQMRTTHJPBP-LJQANCHMSA-N 0 0 405.458 4.227 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)cc([N+](=O)[O-])c1C ZINC000479974502 895328496 /nfs/dbraw/zinc/32/84/96/895328496.db2.gz GGKHXGKSIJSCRA-UHFFFAOYSA-N 0 0 400.431 4.030 20 5 HIBDRN Cc1c(CNC(=O)N(C)Cc2cc(Br)ccc2F)cccc1[N+](=O)[O-] ZINC000480063740 895411743 /nfs/dbraw/zinc/41/17/43/895411743.db2.gz WOOONWKPMWHWBE-UHFFFAOYSA-N 0 0 410.243 4.146 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@H](C)CO2)c1 ZINC000480065182 895413951 /nfs/dbraw/zinc/41/39/51/895413951.db2.gz WLWWIJIYGLNMDY-JPYJTQIMSA-N 0 0 423.513 4.414 20 5 HIBDRN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000480065714 895416240 /nfs/dbraw/zinc/41/62/40/895416240.db2.gz XBZRCJAFOFLISL-PXAZEXFGSA-N 0 0 400.822 4.265 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000505305440 913965776 /nfs/dbraw/zinc/96/57/76/913965776.db2.gz TXQYGUGOSWGFEB-CYBMUJFWSA-N 0 0 421.906 4.182 20 5 HIBDRN CC(C)NC(=O)c1ccc(N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000480067855 895418437 /nfs/dbraw/zinc/41/84/37/895418437.db2.gz CKMUTCHGAOEZDQ-VLIAUNLRSA-N 0 0 417.893 4.353 20 5 HIBDRN CCC(=O)c1ccc(N[C@H](CC)c2ccccc2OCC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000480075501 895429000 /nfs/dbraw/zinc/42/90/00/895429000.db2.gz SSIAFDQOMDXRMJ-QGZVFWFLSA-N 0 0 413.474 4.218 20 5 HIBDRN O=C(Cc1ccc(Br)c(F)c1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000505306178 913967371 /nfs/dbraw/zinc/96/73/71/913967371.db2.gz XNBUPBLKWYYBSQ-UHFFFAOYSA-N 0 0 404.195 4.226 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000480086756 895449347 /nfs/dbraw/zinc/44/93/47/895449347.db2.gz GICXOJQIWOUNME-UHFFFAOYSA-N 0 0 419.239 4.208 20 5 HIBDRN CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000480096398 895462545 /nfs/dbraw/zinc/46/25/45/895462545.db2.gz NWIUUQHMODJZEI-UHFFFAOYSA-N 0 0 404.348 4.072 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000505309311 913971747 /nfs/dbraw/zinc/97/17/47/913971747.db2.gz AREMRXJCKMUFBK-UHFFFAOYSA-N 0 0 401.806 4.061 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000480165103 895554560 /nfs/dbraw/zinc/55/45/60/895554560.db2.gz MPHLNSLUHQMXMK-UHFFFAOYSA-N 0 0 413.474 4.228 20 5 HIBDRN COc1cc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)cc([N+](=O)[O-])c1C ZINC000480168446 895558625 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ZINC000485411725 900709379 /nfs/dbraw/zinc/70/93/79/900709379.db2.gz LGZLCWCBSLCEJG-UHFFFAOYSA-N 0 0 408.418 4.138 20 5 HIBDRN Cc1cc([C@@H]2CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)ccc1Br ZINC000485411824 900709719 /nfs/dbraw/zinc/70/97/19/900709719.db2.gz SLEBWINKCKPIDW-AWEZNQCLSA-N 0 0 402.252 4.050 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)nc1-c1ccc(F)cc1 ZINC000485419582 900716864 /nfs/dbraw/zinc/71/68/64/900716864.db2.gz YUKPISIOTQPNTE-HNNXBMFYSA-N 0 0 408.437 4.175 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000485420315 900718842 /nfs/dbraw/zinc/71/88/42/900718842.db2.gz HUVWAPDMPKAONZ-ZDUSSCGKSA-N 0 0 408.241 4.202 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC000485426873 900725037 /nfs/dbraw/zinc/72/50/37/900725037.db2.gz RVZLUZSGPQKAKM-UHFFFAOYSA-N 0 0 420.425 4.150 20 5 HIBDRN CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000485466194 900759904 /nfs/dbraw/zinc/75/99/04/900759904.db2.gz 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C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000485620402 900875869 /nfs/dbraw/zinc/87/58/69/900875869.db2.gz MCDXMKMSJSXHAI-SMDDNHRTSA-N 0 0 416.783 4.478 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000485624110 900878659 /nfs/dbraw/zinc/87/86/59/900878659.db2.gz GYNXZKFTHYVSFS-OAHLLOKOSA-N 0 0 407.474 4.127 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)ccc1OC1CCOCC1 ZINC000485655418 900907882 /nfs/dbraw/zinc/90/78/82/900907882.db2.gz MNNCCQXWSGOAID-UHFFFAOYSA-N 0 0 422.384 4.315 20 5 HIBDRN Cc1cc(Br)cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000485666849 900917194 /nfs/dbraw/zinc/91/71/94/900917194.db2.gz GDSROPGKWCALHV-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485684834 900935261 /nfs/dbraw/zinc/93/52/61/900935261.db2.gz NCUBLJUMRKNZJP-ZETCQYMHSA-N 0 0 401.204 4.222 20 5 HIBDRN O=C(Nc1cccnc1N1CCCCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000485688017 900938941 /nfs/dbraw/zinc/93/89/41/900938941.db2.gz XWXJYYBHKAPPDP-UHFFFAOYSA-N 0 0 411.281 4.056 20 5 HIBDRN COc1cccc(Cl)c1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485699387 900950292 /nfs/dbraw/zinc/95/02/92/900950292.db2.gz HJPIKDFEHRIMGO-UHFFFAOYSA-N 0 0 405.657 4.011 20 5 HIBDRN COc1cc(C(=O)N2CCC(c3ccsc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000485718280 900967887 /nfs/dbraw/zinc/96/78/87/900967887.db2.gz KICYIZIGPOHPIM-UHFFFAOYSA-N 0 0 412.414 4.286 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1[N+](=O)[O-] ZINC000485735236 900989396 /nfs/dbraw/zinc/98/93/96/900989396.db2.gz FZLDPBLBMFBEKH-UHFFFAOYSA-N 0 0 411.439 4.092 20 5 HIBDRN CN(C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000485740836 900995267 /nfs/dbraw/zinc/99/52/67/900995267.db2.gz YKSAVHUELTYADK-RDTXWAMCSA-N 0 0 422.268 4.084 20 5 HIBDRN CSc1cccc(C(=O)N(C)Cc2cc(Br)ccc2F)c1[N+](=O)[O-] ZINC000485747818 901003453 /nfs/dbraw/zinc/00/34/53/901003453.db2.gz AVMNQQLXQIFODH-UHFFFAOYSA-N 0 0 413.268 4.491 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485756483 901013127 /nfs/dbraw/zinc/01/31/27/901013127.db2.gz XBSMJCJHUGSURY-INIZCTEOSA-N 0 0 416.890 4.223 20 5 HIBDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485758041 901016499 /nfs/dbraw/zinc/01/64/99/901016499.db2.gz KRLFWYFTFMAJHS-RNFRBKRXSA-N 0 0 401.204 4.222 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)cc([N+](=O)[O-])c1C ZINC000485765374 901021834 /nfs/dbraw/zinc/02/18/34/901021834.db2.gz WKYJMGOSWVYJHB-UHFFFAOYSA-N 0 0 408.414 4.400 20 5 HIBDRN COc1cc(C(=O)NCC2(c3ccc(F)cc3F)CCCC2)cc([N+](=O)[O-])c1OC ZINC000485773530 901030448 /nfs/dbraw/zinc/03/04/48/901030448.db2.gz MODKCSBZAKWKDP-UHFFFAOYSA-N 0 0 420.412 4.132 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2cccs2)c2ccc3c(c2)CCCC3)n1 ZINC000485775280 901032118 /nfs/dbraw/zinc/03/21/18/901032118.db2.gz RUYNYRMIIJSUST-LJQANCHMSA-N 0 0 410.499 4.271 20 5 HIBDRN Cc1ccc(-c2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)co2)cc1 ZINC000485791105 901044087 /nfs/dbraw/zinc/04/40/87/901044087.db2.gz LKZAKASHKGNNRY-UHFFFAOYSA-N 0 0 403.341 4.090 20 5 HIBDRN Cn1c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc2ccc(Br)cc21 ZINC000485837994 901082935 /nfs/dbraw/zinc/08/29/35/901082935.db2.gz DASXZFKMHWWLEE-UHFFFAOYSA-N 0 0 415.291 4.409 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000485846241 901090153 /nfs/dbraw/zinc/09/01/53/901090153.db2.gz MQDVHHBUBXHMGV-NSHDSACASA-N 0 0 421.240 4.493 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN3CCC(c4c(F)cccc4F)CC3)n2)cc1 ZINC000485855576 901098688 /nfs/dbraw/zinc/09/86/88/901098688.db2.gz CADJYBDYRZVNRC-UHFFFAOYSA-N 0 0 400.385 4.303 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)N2CCC(c3c(F)cccc3F)CC2)c([N+](=O)[O-])c1 ZINC000485890578 901124520 /nfs/dbraw/zinc/12/45/20/901124520.db2.gz CDMOFNMBBBHAOA-ZDUSSCGKSA-N 0 0 419.428 4.088 20 5 HIBDRN C[C@H]1CCN(C)c2ccccc2N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485892669 901126126 /nfs/dbraw/zinc/12/61/26/901126126.db2.gz YWXDAHDUIGESNP-JTQLQIEISA-N 0 0 410.293 4.294 20 5 HIBDRN CSc1ccc(F)cc1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485923172 901148948 /nfs/dbraw/zinc/14/89/48/901148948.db2.gz PPNPTRXLVYMUKR-UHFFFAOYSA-N 0 0 405.270 4.210 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2csc(-c3ccc(C)cc3)n2)c(C)c([N+](=O)[O-])c1 ZINC000485943372 901162613 /nfs/dbraw/zinc/16/26/13/901162613.db2.gz URPONPSYJFZKHS-UHFFFAOYSA-N 0 0 411.439 4.374 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000485962053 901179143 /nfs/dbraw/zinc/17/91/43/901179143.db2.gz BKTOBVAGMUGFTP-NEPJUHHUSA-N 0 0 406.797 4.225 20 5 HIBDRN CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000485974943 901191371 /nfs/dbraw/zinc/19/13/71/901191371.db2.gz OFUNLMGFUOLURC-CYBMUJFWSA-N 0 0 400.431 4.221 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000485983220 901201931 /nfs/dbraw/zinc/20/19/31/901201931.db2.gz WARPFRSQZDXCHV-UHFFFAOYSA-N 0 0 408.245 4.243 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)cc1 ZINC000485988938 901206865 /nfs/dbraw/zinc/20/68/65/901206865.db2.gz IULFDBQXOKLMML-UHFFFAOYSA-N 0 0 415.768 4.202 20 5 HIBDRN Cc1nc(-c2ccncc2)nc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C ZINC000486005158 901219277 /nfs/dbraw/zinc/21/92/77/901219277.db2.gz PHNCGLHVVJADCP-UHFFFAOYSA-N 0 0 403.364 4.116 20 5 HIBDRN Cc1nc2scc(CC(C)C)c2c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000486009449 901221083 /nfs/dbraw/zinc/22/10/83/901221083.db2.gz XSVFEPBVVQNDLP-UHFFFAOYSA-N 0 0 400.508 4.144 20 5 HIBDRN Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2F)n1 ZINC000486012067 901221785 /nfs/dbraw/zinc/22/17/85/901221785.db2.gz BVDHRTJFLUKSSS-UHFFFAOYSA-N 0 0 408.433 4.341 20 5 HIBDRN Cc1cccc(N(CC(=O)N2CCCCC2)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000486018329 901225648 /nfs/dbraw/zinc/22/56/48/901225648.db2.gz PHSSYCRMAPKYTB-UHFFFAOYSA-N 0 0 421.453 4.309 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2cc(-c3ccccc3)nc3ncnn32)cc(C(F)(F)F)c1 ZINC000486020229 901227608 /nfs/dbraw/zinc/22/76/08/901227608.db2.gz QNZCTXPXLQAJSR-UHFFFAOYSA-N 0 0 414.347 4.330 20 5 HIBDRN O=c1c(Cl)c(/C=C\c2ccc([N+](=O)[O-])cc2)nc2ccc(Br)cn12 ZINC000486027632 901232635 /nfs/dbraw/zinc/23/26/35/901232635.db2.gz IEGXELMWEFYLLE-CLTKARDFSA-N 0 0 406.623 4.189 20 5 HIBDRN CCOC(=O)c1nnc(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])s1 ZINC000486028668 901234938 /nfs/dbraw/zinc/23/49/38/901234938.db2.gz MBGGFXZRTDMEIK-UHFFFAOYSA-N 0 0 415.452 4.005 20 5 HIBDRN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486084051 901272854 /nfs/dbraw/zinc/27/28/54/901272854.db2.gz GJJXFELLPDYKDN-CYBMUJFWSA-N 0 0 423.847 4.020 20 5 HIBDRN O=C(N[C@H]1CCCOc2cc(F)ccc21)c1sc(Br)cc1[N+](=O)[O-] ZINC000486125258 901312516 /nfs/dbraw/zinc/31/25/16/901312516.db2.gz HVCUGBKLNXOIKH-JTQLQIEISA-N 0 0 415.240 4.202 20 5 HIBDRN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(C(F)F)CC1 ZINC000486139491 901327469 /nfs/dbraw/zinc/32/74/69/901327469.db2.gz UDAHCECKCMYYLS-NSHDSACASA-N 0 0 410.446 4.022 20 5 HIBDRN O=C(N[C@@H]1COc2ccc(F)cc21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486146265 901333171 /nfs/dbraw/zinc/33/31/71/901333171.db2.gz SCLBEVHLQWOZDW-LJQANCHMSA-N 0 0 408.385 4.176 20 5 HIBDRN COC[C@H](Cc1ccccc1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486182811 901368065 /nfs/dbraw/zinc/36/80/65/901368065.db2.gz DMDPXITVBPLBGK-FQEVSTJZSA-N 0 0 420.465 4.161 20 5 HIBDRN O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486182168 901368152 /nfs/dbraw/zinc/36/81/52/901368152.db2.gz BVBHXXBISVWMBE-RBBKRZOGSA-N 0 0 420.469 4.284 20 5 HIBDRN COc1cc(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000486200820 901386277 /nfs/dbraw/zinc/38/62/77/901386277.db2.gz SOUUKZNZNODARE-UHFFFAOYSA-N 0 0 418.515 4.463 20 5 HIBDRN COC(=O)c1cc(NCc2nnc(-c3cccc(Cl)c3)o2)c(C)c([N+](=O)[O-])c1 ZINC000486202989 901388179 /nfs/dbraw/zinc/38/81/79/901388179.db2.gz DVDRKAQRDUGVDL-UHFFFAOYSA-N 0 0 402.794 4.005 20 5 HIBDRN CSc1cccc(C(=O)N2CCc3c(Br)cccc3C2)c1[N+](=O)[O-] ZINC000486219892 901402031 /nfs/dbraw/zinc/40/20/31/901402031.db2.gz DOGJELNCUCDXNE-UHFFFAOYSA-N 0 0 407.289 4.278 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000486248171 901430921 /nfs/dbraw/zinc/43/09/21/901430921.db2.gz ZDDIHNZTDWNYQZ-UHFFFAOYSA-N 0 0 411.487 4.235 20 5 HIBDRN CCCN(C(=O)c1cccc(SC)c1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000486248984 901432459 /nfs/dbraw/zinc/43/24/59/901432459.db2.gz GQYOCZVEKPKMTQ-AWEZNQCLSA-N 0 0 401.488 4.196 20 5 HIBDRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c1C ZINC000486257167 901440970 /nfs/dbraw/zinc/44/09/70/901440970.db2.gz MROVHMONLDVGNW-UHFFFAOYSA-N 0 0 423.516 4.029 20 5 HIBDRN COc1ccc([C@H](NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(F)(F)F)cc1 ZINC000505896361 914537540 /nfs/dbraw/zinc/53/75/40/914537540.db2.gz QXDBGFOOOUFUCE-SFHVURJKSA-N 0 0 411.380 4.134 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000486295130 901476806 /nfs/dbraw/zinc/47/68/06/901476806.db2.gz UZHMBBVGIFEFTE-YLJYHZDGSA-N 0 0 417.893 4.258 20 5 HIBDRN O=C(c1c(F)ccc(Br)c1F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000486317200 901494981 /nfs/dbraw/zinc/49/49/81/901494981.db2.gz JTXAOCNXOQYZCV-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1ccccn1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486316851 901495023 /nfs/dbraw/zinc/49/50/23/901495023.db2.gz FOGSQHWDFLOHMQ-HNNXBMFYSA-N 0 0 418.272 4.333 20 5 HIBDRN CCCOc1cccc(CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000486320635 901498091 /nfs/dbraw/zinc/49/80/91/901498091.db2.gz PKOHHMNUENUPJX-UHFFFAOYSA-N 0 0 413.293 4.180 20 5 HIBDRN Cc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n(-c2ccccc2C)n1 ZINC000486350540 901521632 /nfs/dbraw/zinc/52/16/32/901521632.db2.gz PIMHILNWZOZCID-UHFFFAOYSA-N 0 0 419.485 4.252 20 5 HIBDRN COc1cccc2c1CCCCN2C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486421947 901580793 /nfs/dbraw/zinc/58/07/93/901580793.db2.gz BYVZQZQZMYONHE-UHFFFAOYSA-N 0 0 411.277 4.411 20 5 HIBDRN CC[C@@H]1c2ccsc2CCN1C(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000486427813 901586756 /nfs/dbraw/zinc/58/67/56/901586756.db2.gz JLSZDWJTDQZDMC-CQSZACIVSA-N 0 0 411.430 4.206 20 5 HIBDRN CCn1c2ccc(Br)cc2nc1NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000486437531 901596426 /nfs/dbraw/zinc/59/64/26/901596426.db2.gz XCSGVUHZGZGDEN-UHFFFAOYSA-N 0 0 403.236 4.288 20 5 HIBDRN CC(=O)CSCC(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000486441508 901600253 /nfs/dbraw/zinc/60/02/53/901600253.db2.gz IGQJTZGYTQDEDI-UHFFFAOYSA-N 0 0 407.517 4.030 20 5 HIBDRN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486450797 901610456 /nfs/dbraw/zinc/61/04/56/901610456.db2.gz MHQGNWRKDWJLPU-BWAGFHJFSA-N 0 0 422.481 4.251 20 5 HIBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN(c2ccccn2)CC1 ZINC000486460874 901620509 /nfs/dbraw/zinc/62/05/09/901620509.db2.gz NPCGWRSCVSHXPN-UHFFFAOYSA-N 0 0 420.494 4.103 20 5 HIBDRN CSc1cccc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c1[N+](=O)[O-] ZINC000486574514 901718384 /nfs/dbraw/zinc/71/83/84/901718384.db2.gz WLZLGEGQBMIKEN-UHFFFAOYSA-N 0 0 419.478 4.335 20 5 HIBDRN O=C(NCc1cscn1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000486585453 901726219 /nfs/dbraw/zinc/72/62/19/901726219.db2.gz LJVMXPVJSUKMOL-UHFFFAOYSA-N 0 0 402.863 4.247 20 5 HIBDRN Cc1cc(C)c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1Br ZINC000486600070 901738470 /nfs/dbraw/zinc/73/84/70/901738470.db2.gz IGIYWOVRIDBJRW-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Br)c(C)cc2C)cc([N+](=O)[O-])c1OC ZINC000486599914 901738582 /nfs/dbraw/zinc/73/85/82/901738582.db2.gz KHDTVYJLMLZQQF-UHFFFAOYSA-N 0 0 409.236 4.244 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(Cn4cccn4)cc3)cc2[N+](=O)[O-])C1 ZINC000486626038 901760547 /nfs/dbraw/zinc/76/05/47/901760547.db2.gz KLQYNUPOXRFJLL-QGZVFWFLSA-N 0 0 419.485 4.328 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000486749439 901827805 /nfs/dbraw/zinc/82/78/05/901827805.db2.gz CBYRPOOMEQHHQN-UHFFFAOYSA-N 0 0 421.457 4.239 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCc2nc(C)no2)cc1 ZINC000486780136 901848660 /nfs/dbraw/zinc/84/86/60/901848660.db2.gz PIIVZISVINGLOJ-UHFFFAOYSA-N 0 0 414.443 4.230 20 5 HIBDRN CC(C)c1c(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cnn1-c1ccccc1 ZINC000486789432 901855117 /nfs/dbraw/zinc/85/51/17/901855117.db2.gz AOYBOTSCJJUYEY-UHFFFAOYSA-N 0 0 400.460 4.051 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)cc1OC ZINC000486818530 901872804 /nfs/dbraw/zinc/87/28/04/901872804.db2.gz BVSKEJNVFWEZOH-MRXNPFEDSA-N 0 0 416.327 4.175 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@@H]2c2ccccc2OC)c(C)c([N+](=O)[O-])c1 ZINC000486853404 901899306 /nfs/dbraw/zinc/89/93/06/901899306.db2.gz AGQWKYAYGDIHHQ-QGZVFWFLSA-N 0 0 413.430 4.067 20 5 HIBDRN CCN(C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)[C@@H](C)c1cccc(O)c1 ZINC000486863422 901908270 /nfs/dbraw/zinc/90/82/70/901908270.db2.gz GFAMIBOKZNENRY-ZDUSSCGKSA-N 0 0 401.419 4.010 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(C)[C@H](C)c2cc(F)ccc2F)c(C)c([N+](=O)[O-])c1 ZINC000486866410 901911150 /nfs/dbraw/zinc/91/11/50/901911150.db2.gz IJBZESUCUMJXQO-LLVKDONJSA-N 0 0 407.373 4.193 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@H]2Cc2ccc(C)cc2)c(C)c([N+](=O)[O-])c1 ZINC000486870451 901915179 /nfs/dbraw/zinc/91/51/79/901915179.db2.gz ROXSYAXUDALGKK-SFHVURJKSA-N 0 0 411.458 4.237 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCCCC[C@@H]2c2ccco2)c(C)c([N+](=O)[O-])c1 ZINC000486873649 901919717 /nfs/dbraw/zinc/91/97/17/901919717.db2.gz TWWVHEPLENFGPQ-MRXNPFEDSA-N 0 0 401.419 4.432 20 5 HIBDRN CCN(C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)[C@@H](C)Cc1ccsc1 ZINC000486880656 901927350 /nfs/dbraw/zinc/92/73/50/901927350.db2.gz DQVCAYCLLKYDRL-LBPRGKRZSA-N 0 0 405.476 4.236 20 5 HIBDRN CC[C@H](C)n1ncc(NC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)c1C1CC1 ZINC000486885197 901931493 /nfs/dbraw/zinc/93/14/93/901931493.db2.gz SWCLLWMVGUMPGV-NSHDSACASA-N 0 0 415.450 4.379 20 5 HIBDRN 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ZINC000487349682 902156829 /nfs/dbraw/zinc/15/68/29/902156829.db2.gz CPEZRMNUZPABSA-UHFFFAOYSA-N 0 0 424.848 4.137 20 5 HIBDRN Cc1cccc2nc(C3CCN(C(=O)Cc4c(F)cc([N+](=O)[O-])cc4F)CC3)oc21 ZINC000487398507 902182923 /nfs/dbraw/zinc/18/29/23/902182923.db2.gz WPZMTQPPOLQQSJ-UHFFFAOYSA-N 0 0 415.396 4.271 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000487416466 902198527 /nfs/dbraw/zinc/19/85/27/902198527.db2.gz XHJFJHMMJQEWJA-UHFFFAOYSA-N 0 0 421.844 4.045 20 5 HIBDRN CSc1ccc(C(=O)N2CCN(c3cccc4cnccc43)C[C@H]2C)cc1[N+](=O)[O-] ZINC000487587470 902247669 /nfs/dbraw/zinc/24/76/69/902247669.db2.gz XBMWQXPUDAUMNA-OAHLLOKOSA-N 0 0 422.510 4.216 20 5 HIBDRN C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000487615666 902253006 /nfs/dbraw/zinc/25/30/06/902253006.db2.gz FVJAUUKSTVCBMS-HNNXBMFYSA-N 0 0 416.437 4.240 20 5 HIBDRN O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000487646284 902271448 /nfs/dbraw/zinc/27/14/48/902271448.db2.gz BZQWLCDCOIFRIM-UHFFFAOYSA-N 0 0 415.381 4.049 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCCOc2cccc(C)c2C)cc1SC ZINC000487670595 902283567 /nfs/dbraw/zinc/28/35/67/902283567.db2.gz XVIROQGQMOADPO-UHFFFAOYSA-N 0 0 404.488 4.141 20 5 HIBDRN CC1(C)Cc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)sc2C(=O)C1 ZINC000487676883 902286545 /nfs/dbraw/zinc/28/65/45/902286545.db2.gz QQAFDCAWJKALGR-UHFFFAOYSA-N 0 0 411.386 4.060 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1CSc1nnc([C@H]2COc3ccccc3O2)o1 ZINC000487745005 902336756 /nfs/dbraw/zinc/33/67/56/902336756.db2.gz ZDPQRGPPWWLIJP-OAHLLOKOSA-N 0 0 405.819 4.436 20 5 HIBDRN O=C(NCc1sccc1Br)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000487917706 902449756 /nfs/dbraw/zinc/44/97/56/902449756.db2.gz PJXIJLYQANKVQG-UHFFFAOYSA-N 0 0 410.293 4.293 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Br)cc1[N+](=O)[O-] ZINC000487983190 902505652 /nfs/dbraw/zinc/50/56/52/902505652.db2.gz UJJOYRZZUDLRKQ-QWHCGFSZSA-N 0 0 407.264 4.310 20 5 HIBDRN C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000487983123 902506414 /nfs/dbraw/zinc/50/64/14/902506414.db2.gz JXCYDEYFAUMXCY-CQSZACIVSA-N 0 0 413.865 4.037 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 ZINC000505969925 914632647 /nfs/dbraw/zinc/63/26/47/914632647.db2.gz JNYJOZVDQKNMHC-UHFFFAOYSA-N 0 0 419.393 4.143 20 5 HIBDRN C[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000488013239 902532478 /nfs/dbraw/zinc/53/24/78/902532478.db2.gz VZESDLCLOSYRNI-FZKQIMNGSA-N 0 0 423.391 4.285 20 5 HIBDRN Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000488024174 902543160 /nfs/dbraw/zinc/54/31/60/902543160.db2.gz OQGAQQPXPJKQLR-LBPRGKRZSA-N 0 0 416.275 4.498 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2cnn3c2nccc3-c2ccccc2)cc1[N+](=O)[O-] ZINC000488045064 902562099 /nfs/dbraw/zinc/56/20/99/902562099.db2.gz CHZLMJNECXFGET-HNNXBMFYSA-N 0 0 401.426 4.104 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2cnn3c2nccc3-c2ccccc2)cc1[N+](=O)[O-] ZINC000488045074 902562386 /nfs/dbraw/zinc/56/23/86/902562386.db2.gz CHZLMJNECXFGET-OAHLLOKOSA-N 0 0 401.426 4.104 20 5 HIBDRN O=C(c1ccc(Cl)cc1)N1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488065644 902579164 /nfs/dbraw/zinc/57/91/64/902579164.db2.gz CRGOMPBXUSOGHV-UHFFFAOYSA-N 0 0 410.861 4.149 20 5 HIBDRN COc1ccccc1[C@H]1CCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488069684 902580314 /nfs/dbraw/zinc/58/03/14/902580314.db2.gz AWBRUHXJIKBMRA-QGZVFWFLSA-N 0 0 403.866 4.346 20 5 HIBDRN COc1ccc(Cl)cc1CN(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488071621 902582717 /nfs/dbraw/zinc/58/27/17/902582717.db2.gz HAABFGFHIQVDKQ-UHFFFAOYSA-N 0 0 412.273 4.294 20 5 HIBDRN Cc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1F ZINC000488074754 902584108 /nfs/dbraw/zinc/58/41/08/902584108.db2.gz ZJMIRZLOQOHWQD-CQSZACIVSA-N 0 0 412.421 4.211 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000488082693 902589377 /nfs/dbraw/zinc/58/93/77/902589377.db2.gz YRSQZOCCFQDDAX-UZUQRXQVSA-N 0 0 409.486 4.023 20 5 HIBDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000488088734 902592612 /nfs/dbraw/zinc/59/26/12/902592612.db2.gz IKAVPGWVGFUDKV-ZIAGYGMSSA-N 0 0 401.488 4.220 20 5 HIBDRN O=C(Nc1ccc(Cl)cn1)C1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488087998 902592730 /nfs/dbraw/zinc/59/27/30/902592730.db2.gz KTGIIUSONMLTMX-UHFFFAOYSA-N 0 0 411.849 4.047 20 5 HIBDRN Cc1ccc(C(=O)N2CCSCC2)cc1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000488112835 902613613 /nfs/dbraw/zinc/61/36/13/902613613.db2.gz RABXYZJUHPUNSD-UHFFFAOYSA-N 0 0 405.907 4.358 20 5 HIBDRN O=C(Nc1ccc(F)cc1)NC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488117112 902616750 /nfs/dbraw/zinc/61/67/50/902616750.db2.gz YNIQQHMKHVACRA-UHFFFAOYSA-N 0 0 409.421 4.073 20 5 HIBDRN COC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000488149874 902642807 /nfs/dbraw/zinc/64/28/07/902642807.db2.gz MHHRCADMIHYQLM-XHDPSFHLSA-N 0 0 413.257 4.173 20 5 HIBDRN COC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000488149004 902643018 /nfs/dbraw/zinc/64/30/18/902643018.db2.gz KGTOZHYWABAUQT-CQSZACIVSA-N 0 0 413.655 4.128 20 5 HIBDRN Cc1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1C(C)C ZINC000488254996 902729002 /nfs/dbraw/zinc/72/90/02/902729002.db2.gz YUNRJVAABSHBDA-VIFPVBQESA-N 0 0 417.413 4.214 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCSc2ccc(Br)cc21 ZINC000505990523 914658166 /nfs/dbraw/zinc/65/81/66/914658166.db2.gz HHPYHTKVBAPNIE-AWEZNQCLSA-N 0 0 410.293 4.385 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000488388684 902798192 /nfs/dbraw/zinc/79/81/92/902798192.db2.gz HLUYKBLAFJLKTH-NRFANRHFSA-N 0 0 417.893 4.269 20 5 HIBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000488403335 902810468 /nfs/dbraw/zinc/81/04/68/902810468.db2.gz CUIDXYLHZOWUHS-ZDUSSCGKSA-N 0 0 408.285 4.421 20 5 HIBDRN CC(C)n1ncc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1-c1ccccc1 ZINC000488403876 902810844 /nfs/dbraw/zinc/81/08/44/902810844.db2.gz YGSMWWDKDNMGAD-UHFFFAOYSA-N 0 0 419.485 4.002 20 5 HIBDRN O=C(NCc1ccc(Oc2ccccc2)nc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488428683 902822520 /nfs/dbraw/zinc/82/25/20/902822520.db2.gz FABUWLQXFXNEJB-UHFFFAOYSA-N 0 0 415.352 4.314 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000488451977 902831962 /nfs/dbraw/zinc/83/19/62/902831962.db2.gz SNEIYPAETACCFC-UHFFFAOYSA-N 0 0 416.359 4.392 20 5 HIBDRN C[C@@H](N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1)C(F)(F)F ZINC000488457562 902834200 /nfs/dbraw/zinc/83/42/00/902834200.db2.gz DAUPKKJJSYQYBA-CQSZACIVSA-N 0 0 423.391 4.096 20 5 HIBDRN O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1)c1ccoc1 ZINC000488465485 902838768 /nfs/dbraw/zinc/83/87/68/902838768.db2.gz BRJOKOSKKLJZGO-UHFFFAOYSA-N 0 0 417.324 4.294 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000505993890 914662205 /nfs/dbraw/zinc/66/22/05/914662205.db2.gz VQAZLJCPEMCJGX-SUQGKYDKSA-N 0 0 424.423 4.057 20 5 HIBDRN COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)ccc1SC ZINC000488498183 902855712 /nfs/dbraw/zinc/85/57/12/902855712.db2.gz WIZMGGAMTWCBCQ-UHFFFAOYSA-N 0 0 412.414 4.199 20 5 HIBDRN O=C(NCc1ccc(Cl)cc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000488521586 902868218 /nfs/dbraw/zinc/86/82/18/902868218.db2.gz SSLUFGXYUYUHNT-UHFFFAOYSA-N 0 0 407.829 4.140 20 5 HIBDRN COCC1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000488651697 902919835 /nfs/dbraw/zinc/91/98/35/902919835.db2.gz AGWWUWDNLFPIGH-FQEVSTJZSA-N 0 0 417.893 4.286 20 5 HIBDRN Cc1cc(NCc2cc3ccccc3n(C)c2=O)c(Br)cc1[N+](=O)[O-] ZINC000488683877 902943663 /nfs/dbraw/zinc/94/36/63/902943663.db2.gz AONDBSFCZMIPQJ-UHFFFAOYSA-N 0 0 402.248 4.130 20 5 HIBDRN CC(=O)Nc1cccc(-n2cnnc2SCc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000488750162 902980273 /nfs/dbraw/zinc/98/02/73/902980273.db2.gz NKVYPPDCJQREGA-UHFFFAOYSA-N 0 0 403.851 4.080 20 5 HIBDRN CCOc1ccc(-c2nc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)cs2)cc1 ZINC000488787931 903001868 /nfs/dbraw/zinc/00/18/68/903001868.db2.gz RZXUTUTYLKGAAO-UHFFFAOYSA-N 0 0 413.503 4.151 20 5 HIBDRN Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000488889289 903059758 /nfs/dbraw/zinc/05/97/58/903059758.db2.gz IYQUXCSNDNRRCO-GFCCVEGCSA-N 0 0 413.293 4.047 20 5 HIBDRN Cc1cccc2cc(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])oc21 ZINC000488900434 903067035 /nfs/dbraw/zinc/06/70/35/903067035.db2.gz YJPQGPAAFONYLM-QGZVFWFLSA-N 0 0 410.426 4.462 20 5 HIBDRN Cc1ccc(-c2nc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)sc2C)s1 ZINC000488916116 903073855 /nfs/dbraw/zinc/07/38/55/903073855.db2.gz LJXSUXWJWCGCBY-UHFFFAOYSA-N 0 0 403.441 4.378 20 5 HIBDRN COc1cc(OC)c(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F ZINC000488931992 903084550 /nfs/dbraw/zinc/08/45/50/903084550.db2.gz KVXRHHRVUGAOKD-UHFFFAOYSA-N 0 0 417.315 4.092 20 5 HIBDRN CC1(C)Cc2ccc(Br)cc2[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000488969785 903101312 /nfs/dbraw/zinc/10/13/12/903101312.db2.gz DQKOSGSWDATZQX-MRXNPFEDSA-N 0 0 402.252 4.136 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccc4c(c3)CCCO4)cc2)c(C)c1[N+](=O)[O-] ZINC000506014702 914690057 /nfs/dbraw/zinc/69/00/57/914690057.db2.gz KGNCMQZZEWHDKE-UHFFFAOYSA-N 0 0 406.442 4.034 20 5 HIBDRN C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000489088514 903190005 /nfs/dbraw/zinc/19/00/05/903190005.db2.gz NHIRNHSREFUWBT-INIZCTEOSA-N 0 0 413.437 4.334 20 5 HIBDRN O=C(Nc1cc(F)c(Br)cc1F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000489102887 903198181 /nfs/dbraw/zinc/19/81/81/903198181.db2.gz NZTFJNWFAFCCNZ-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n(-c2cc(C)ccn2)n1 ZINC000489111805 903203536 /nfs/dbraw/zinc/20/35/36/903203536.db2.gz QCMKGGRIEOQZFO-UHFFFAOYSA-N 0 0 408.462 4.235 20 5 HIBDRN CC(C)(C)OC1CC(CC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)C1 ZINC000489136688 903224811 /nfs/dbraw/zinc/22/48/11/903224811.db2.gz XZFMCSPBUSEOHU-UHFFFAOYSA-N 0 0 402.413 4.470 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H]3CCOC4(CCC4)C3)cc2[N+](=O)[O-])n1 ZINC000489162626 903238536 /nfs/dbraw/zinc/23/85/36/903238536.db2.gz SJKHCAOBWNPVFW-AWEZNQCLSA-N 0 0 419.528 4.342 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000489169020 903242214 /nfs/dbraw/zinc/24/22/14/903242214.db2.gz GPTKAGKYSAWUFM-UHFFFAOYSA-N 0 0 416.286 4.217 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000489249187 903285988 /nfs/dbraw/zinc/28/59/88/903285988.db2.gz GAYMXADZVBYVPF-KUHUBIRLSA-N 0 0 410.561 4.127 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1[N+](=O)[O-] ZINC000489253662 903290678 /nfs/dbraw/zinc/29/06/78/903290678.db2.gz NZJPJXXVUIVHIL-QGZVFWFLSA-N 0 0 420.469 4.438 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1Br)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000489258213 903293448 /nfs/dbraw/zinc/29/34/48/903293448.db2.gz VRHKMYYRGZSRLY-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000489282514 903305524 /nfs/dbraw/zinc/30/55/24/903305524.db2.gz UUSVJRPKAQTYHH-FQEVSTJZSA-N 0 0 404.470 4.408 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1CCCc1ccccc1 ZINC000489299085 903318133 /nfs/dbraw/zinc/31/81/33/903318133.db2.gz WEQIBKOZMXKLEZ-QGZVFWFLSA-N 0 0 405.454 4.476 20 5 HIBDRN CCn1c(SCC(=O)N(C)[C@@H]2CCCC[C@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489397016 903366035 /nfs/dbraw/zinc/36/60/35/903366035.db2.gz AZDGMRQOPVUIPS-RHSMWYFYSA-N 0 0 417.535 4.002 20 5 HIBDRN Cc1ccc(-c2nnc(SCCn3cc([N+](=O)[O-])cn3)n2-c2ccccc2)cc1 ZINC000489453152 903393016 /nfs/dbraw/zinc/39/30/16/903393016.db2.gz WNMJQNDPLYERNY-UHFFFAOYSA-N 0 0 406.471 4.140 20 5 HIBDRN CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489462379 903399062 /nfs/dbraw/zinc/39/90/62/903399062.db2.gz XUALOTPQNPZOGD-LBPRGKRZSA-N 0 0 422.470 4.375 20 5 HIBDRN Cc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)N(C)C(C)C ZINC000489542133 903453216 /nfs/dbraw/zinc/45/32/16/903453216.db2.gz ANHJIHIZCWVYRA-UHFFFAOYSA-N 0 0 418.881 4.359 20 5 HIBDRN CCOCCOc1cc(C)ccc1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489559393 903464692 /nfs/dbraw/zinc/46/46/92/903464692.db2.gz QDYUNLDLJJUKPN-UHFFFAOYSA-N 0 0 415.490 4.053 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000489559014 903464776 /nfs/dbraw/zinc/46/47/76/903464776.db2.gz PENXKWUQVFFPAC-LBPRGKRZSA-N 0 0 415.837 4.167 20 5 HIBDRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000489595922 903486853 /nfs/dbraw/zinc/48/68/53/903486853.db2.gz IXVNHZIADPROCW-UHFFFAOYSA-N 0 0 411.867 4.215 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000489607715 903495790 /nfs/dbraw/zinc/49/57/90/903495790.db2.gz VUBTXFCZVASUET-GDBMZVCRSA-N 0 0 418.490 4.491 20 5 HIBDRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccc(F)cc1 ZINC000489658435 903524152 /nfs/dbraw/zinc/52/41/52/903524152.db2.gz JUDQHKUAHMCSAX-UHFFFAOYSA-N 0 0 415.450 4.052 20 5 HIBDRN O=C(NCC1(c2ccccc2)CCOCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489705332 903549549 /nfs/dbraw/zinc/54/95/49/903549549.db2.gz JNHDPJBKIYCBJD-UHFFFAOYSA-N 0 0 409.486 4.017 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)n2)c(C)c([N+](=O)[O-])c1 ZINC000489751978 903579673 /nfs/dbraw/zinc/57/96/73/903579673.db2.gz DHHQMWDRZXTSDV-UHFFFAOYSA-N 0 0 422.441 4.053 20 5 HIBDRN C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000489794649 903603886 /nfs/dbraw/zinc/60/38/86/903603886.db2.gz WFSWMZSMLZJOGI-NSHDSACASA-N 0 0 417.878 4.163 20 5 HIBDRN CC(=O)[C@@H]1C[C@H](Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1(C)C ZINC000489815927 903611907 /nfs/dbraw/zinc/61/19/07/903611907.db2.gz WMMZUQCHXFXPJV-OCCSQVGLSA-N 0 0 422.279 4.125 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489882370 903649207 /nfs/dbraw/zinc/64/92/07/903649207.db2.gz IBSMGBADORRIBL-KRWDZBQOSA-N 0 0 422.441 4.231 20 5 HIBDRN C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1-c1ccc(Cl)cc1 ZINC000489920617 903675401 /nfs/dbraw/zinc/67/54/01/903675401.db2.gz UGLYAUMPOKUWLU-AWEZNQCLSA-N 0 0 413.865 4.172 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000489959084 903697995 /nfs/dbraw/zinc/69/79/95/903697995.db2.gz RMIFJSSSFAMOLA-CRAIPNDOSA-N 0 0 400.500 4.352 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000489959090 903698208 /nfs/dbraw/zinc/69/82/08/903698208.db2.gz RMIFJSSSFAMOLA-YJBOKZPZSA-N 0 0 400.500 4.352 20 5 HIBDRN Cc1cc(C(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)n1CC(F)(F)F ZINC000490011466 903723270 /nfs/dbraw/zinc/72/32/70/903723270.db2.gz KMDVYAAAMTYMQI-UHFFFAOYSA-N 0 0 409.408 4.423 20 5 HIBDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000490033723 903735578 /nfs/dbraw/zinc/73/55/78/903735578.db2.gz NXCBFODAODBSBM-NSHDSACASA-N 0 0 420.347 4.078 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490057296 903747526 /nfs/dbraw/zinc/74/75/26/903747526.db2.gz QUOBXXCASDHHGE-HNNXBMFYSA-N 0 0 414.531 4.057 20 5 HIBDRN COC[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000490062460 903751762 /nfs/dbraw/zinc/75/17/62/903751762.db2.gz ZWQSXBOYBYCBBH-KRWDZBQOSA-N 0 0 412.273 4.160 20 5 HIBDRN Cc1c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cccc1NC(=O)c1ccccc1 ZINC000490095711 903768229 /nfs/dbraw/zinc/76/82/29/903768229.db2.gz QCINRENFHHBLNT-UHFFFAOYSA-N 0 0 415.409 4.284 20 5 HIBDRN CC1(C)CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H]1c1cccnc1 ZINC000490119929 903777330 /nfs/dbraw/zinc/77/73/30/903777330.db2.gz NKJHBTCQTHJWJP-HNNXBMFYSA-N 0 0 416.286 4.068 20 5 HIBDRN Cc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccco1 ZINC000490162145 903802808 /nfs/dbraw/zinc/80/28/08/903802808.db2.gz ULRGODXINCVLFW-UHFFFAOYSA-N 0 0 411.439 4.479 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(Cc2nnc(-c3ccc(Br)o3)o2)C2CC2)c1 ZINC000490179630 903812665 /nfs/dbraw/zinc/81/26/65/903812665.db2.gz BKBKYQSAJCTTQA-UHFFFAOYSA-N 0 0 419.235 4.165 20 5 HIBDRN COc1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n1 ZINC000490181183 903813562 /nfs/dbraw/zinc/81/35/62/903813562.db2.gz DWGXHUWOTCUASW-UHFFFAOYSA-N 0 0 409.467 4.122 20 5 HIBDRN Cc1ccc(C(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000490196747 903822037 /nfs/dbraw/zinc/82/20/37/903822037.db2.gz LJHURUPTFQLBMU-ICSRJNTNSA-N 0 0 403.429 4.135 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCO[C@@H](c2ccco2)C1 ZINC000490212737 903830034 /nfs/dbraw/zinc/83/00/34/903830034.db2.gz YXCAWYFXEJKICF-OAQYLSRUSA-N 0 0 407.426 4.014 20 5 HIBDRN O=C(Nc1csc2ccccc12)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000490246734 903851467 /nfs/dbraw/zinc/85/14/67/903851467.db2.gz NJJUGLXSLJDEQQ-CYBMUJFWSA-N 0 0 401.469 4.114 20 5 HIBDRN C[C@H](NC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000490248745 903852659 /nfs/dbraw/zinc/85/26/59/903852659.db2.gz OZFGLCXOPOMWBF-AWEZNQCLSA-N 0 0 419.503 4.191 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000490264416 903863090 /nfs/dbraw/zinc/86/30/90/903863090.db2.gz XCWDHOLBJNBOBJ-IPYPFGDCSA-N 0 0 406.446 4.262 20 5 HIBDRN CC(C)N1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490289785 903879139 /nfs/dbraw/zinc/87/91/39/903879139.db2.gz QXJJEBJSZBKJQE-UNMCSNQZSA-N 0 0 417.456 4.146 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000490290741 903879154 /nfs/dbraw/zinc/87/91/54/903879154.db2.gz SYMAADPMXDKYNF-BREXMAIKSA-N 0 0 420.834 4.269 20 5 HIBDRN CCNC(=O)Nc1ccc(C)c(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000490321678 903901714 /nfs/dbraw/zinc/90/17/14/903901714.db2.gz VUXHGHRCYKVLGI-UHFFFAOYSA-N 0 0 411.462 4.241 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000490361666 903954674 /nfs/dbraw/zinc/95/46/74/903954674.db2.gz FFVQIQQGESBOQO-UONOGXRCSA-N 0 0 417.347 4.141 20 5 HIBDRN O=[N+]([O-])c1cccc([C@H](NCc2ccncc2OC[C@H]2CCOC2)c2ccccc2)c1 ZINC000490364976 903957959 /nfs/dbraw/zinc/95/79/59/903957959.db2.gz IXZKUVUBDFSKFL-MHECFPHRSA-N 0 0 419.481 4.284 20 5 HIBDRN O=C(C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1)N(Cc1ccccc1)C1CC1 ZINC000490397460 903983163 /nfs/dbraw/zinc/98/31/63/903983163.db2.gz GWLORMHRDJOJCW-UHFFFAOYSA-N 0 0 411.477 4.137 20 5 HIBDRN CC(C)CCn1ncc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1C(C)C ZINC000490496972 904049388 /nfs/dbraw/zinc/04/93/88/904049388.db2.gz YAQPGBCCANVAGN-UHFFFAOYSA-N 0 0 410.478 4.399 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000490500851 904052618 /nfs/dbraw/zinc/05/26/18/904052618.db2.gz NAXYJNDYGRKVMB-GOSISDBHSA-N 0 0 412.829 4.436 20 5 HIBDRN CC(C)CCn1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1C(C)C ZINC000490544444 904089901 /nfs/dbraw/zinc/08/99/01/904089901.db2.gz GGLJXDHLQKTXEL-UHFFFAOYSA-N 0 0 420.535 4.298 20 5 HIBDRN Cc1cccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)n(C)c21 ZINC000490590535 904121970 /nfs/dbraw/zinc/12/19/70/904121970.db2.gz WCCXPCHBHNTZFS-UHFFFAOYSA-N 0 0 412.515 4.468 20 5 HIBDRN COc1ccc(CSCC(=O)N(CC(F)F)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000490614857 904139488 /nfs/dbraw/zinc/13/94/88/904139488.db2.gz CIMWIMZSTDIMNS-UHFFFAOYSA-N 0 0 414.405 4.274 20 5 HIBDRN Cc1cccc(O)c1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000490644820 904153166 /nfs/dbraw/zinc/15/31/66/904153166.db2.gz MDAQWEVDUIFLEP-UHFFFAOYSA-N 0 0 407.213 4.354 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)nn1-c1cccc(F)c1 ZINC000490664593 904162507 /nfs/dbraw/zinc/16/25/07/904162507.db2.gz WHWHJXRFIKFAAV-UHFFFAOYSA-N 0 0 406.320 4.082 20 5 HIBDRN CCOc1cc(C(=O)N(C)[C@@H](COC)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000490840838 904281028 /nfs/dbraw/zinc/28/10/28/904281028.db2.gz ZJIRXIQVSIXULN-KRWDZBQOSA-N 0 0 422.865 4.115 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000490927995 904322704 /nfs/dbraw/zinc/32/27/04/904322704.db2.gz HTAQTSPDCVCEBM-UHFFFAOYSA-N 0 0 404.394 4.097 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@]2(c2ccccc2)C(F)(F)F)cc([N+](=O)[O-])c1OC ZINC000490957581 904336609 /nfs/dbraw/zinc/33/66/09/904336609.db2.gz WOKDAFLKGAZMIQ-LJQANCHMSA-N 0 0 424.375 4.306 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2ccccc2F)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490961779 904338575 /nfs/dbraw/zinc/33/85/75/904338575.db2.gz CIYXSBCFSOQQLH-QGZVFWFLSA-N 0 0 412.465 4.077 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@]1(c1ccccc1)C(F)(F)F ZINC000491004597 904364356 /nfs/dbraw/zinc/36/43/56/904364356.db2.gz PWHGPPLBNGIGJI-IBGZPJMESA-N 0 0 408.376 4.444 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000491022852 904374517 /nfs/dbraw/zinc/37/45/17/904374517.db2.gz XMKZWCBSBXFQRW-AWEZNQCLSA-N 0 0 401.463 4.216 20 5 HIBDRN COc1cc(CNc2cc(CO)ccc2Cl)c([N+](=O)[O-])cc1OCC(F)F ZINC000491034193 904385165 /nfs/dbraw/zinc/38/51/65/904385165.db2.gz GSVMOCASCBYORH-UHFFFAOYSA-N 0 0 402.781 4.005 20 5 HIBDRN CN(C)c1ncn(-c2cccc(NC(=O)c3cc4ccccc4c4cccnc34)c2)n1 ZINC000506106725 914806601 /nfs/dbraw/zinc/80/66/01/914806601.db2.gz CDGGRPQQKSYNEE-UHFFFAOYSA-N 0 0 408.465 4.287 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)NCC)c1 ZINC000506109424 914807292 /nfs/dbraw/zinc/80/72/92/914807292.db2.gz NEUIMOIANCQCBY-UHFFFAOYSA-N 0 0 402.476 4.491 20 5 HIBDRN CCNc1ccc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1[N+](=O)[O-] ZINC000491099110 904425009 /nfs/dbraw/zinc/42/50/09/904425009.db2.gz DVKSBXYXHDRXJT-HNNXBMFYSA-N 0 0 414.531 4.382 20 5 HIBDRN CC(C)(NC(=O)N[C@@H]1c2ccccc2CC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000491170967 904467369 /nfs/dbraw/zinc/46/73/69/904467369.db2.gz IHLBZHNLNQRLDW-HXUWFJFHSA-N 0 0 409.486 4.223 20 5 HIBDRN Cc1cc([C@H]2CN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCO2)ccc1F ZINC000491175989 904469186 /nfs/dbraw/zinc/46/91/86/904469186.db2.gz YXXZIYOORZAUED-BFUOFWGJSA-N 0 0 421.856 4.096 20 5 HIBDRN Cc1cc([C@H]2CN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CCO2)ccc1F ZINC000491196698 904478928 /nfs/dbraw/zinc/47/89/28/904478928.db2.gz RVVGQEOTZIRKGJ-IFXJQAMLSA-N 0 0 412.421 4.227 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)cc([N+](=O)[O-])c1 ZINC000491271737 904513443 /nfs/dbraw/zinc/51/34/43/904513443.db2.gz QMFLSJJFQAOPEO-UHFFFAOYSA-N 0 0 402.472 4.180 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(F)c(OC(F)F)cc1F ZINC000491322657 904535829 /nfs/dbraw/zinc/53/58/29/904535829.db2.gz MALLIRIASJQKGM-UHFFFAOYSA-N 0 0 407.707 4.450 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000506155930 914827310 /nfs/dbraw/zinc/82/73/10/914827310.db2.gz MQHMOJKMOIELSJ-FQEVSTJZSA-N 0 0 403.442 4.423 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)N(Cc2cscn2)c2ccccc2)cc1[N+](=O)[O-] ZINC000491602163 904670759 /nfs/dbraw/zinc/67/07/59/904670759.db2.gz RNIJSDITEHQECS-UHFFFAOYSA-N 0 0 403.485 4.064 20 5 HIBDRN COc1ccc(CN(Cc2ccccc2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000491687589 904684846 /nfs/dbraw/zinc/68/48/46/904684846.db2.gz YWQSODMRWSNZBK-UHFFFAOYSA-N 0 0 406.438 4.211 20 5 HIBDRN Cc1cc(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)cc([N+](=O)[O-])c1 ZINC000491830599 904703884 /nfs/dbraw/zinc/70/38/84/904703884.db2.gz QFZGDCNSTQWRES-UHFFFAOYSA-N 0 0 402.472 4.262 20 5 HIBDRN COc1cc(CNc2cccc(-c3cc[nH]n3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491900969 904724553 /nfs/dbraw/zinc/72/45/53/904724553.db2.gz JZFMEWLKNKLAHD-UHFFFAOYSA-N 0 0 404.373 4.250 20 5 HIBDRN CN1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000492265261 904826048 /nfs/dbraw/zinc/82/60/48/904826048.db2.gz DGIWKEQIACLOOV-PKOBYXMFSA-N 0 0 401.894 4.087 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC000506211302 914846435 /nfs/dbraw/zinc/84/64/35/914846435.db2.gz RPQIFJMILFGIID-CVEARBPZSA-N 0 0 421.563 4.254 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000506211304 914846730 /nfs/dbraw/zinc/84/67/30/914846730.db2.gz RPQIFJMILFGIID-HZPDHXFCSA-N 0 0 421.563 4.254 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000492397995 904842786 /nfs/dbraw/zinc/84/27/86/904842786.db2.gz VJEPCIOPGWARFL-QGZVFWFLSA-N 0 0 415.515 4.050 20 5 HIBDRN CCOc1cc(CNc2ccc(S(=O)(=O)C3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000492515747 904862719 /nfs/dbraw/zinc/86/27/19/904862719.db2.gz RZKSXLFGQGDUEV-UHFFFAOYSA-N 0 0 404.488 4.322 20 5 HIBDRN COc1cc([C@H](NCc2ccc([N+](=O)[O-])cc2F)C(F)(F)F)cc(OC)c1OC ZINC000492558746 904868530 /nfs/dbraw/zinc/86/85/30/904868530.db2.gz OMTFIUOBSLFLLT-KRWDZBQOSA-N 0 0 418.343 4.153 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1cc(F)c(N2CCOCC2)cc1F ZINC000506221381 914850338 /nfs/dbraw/zinc/85/03/38/914850338.db2.gz TYRBPSTXPWTSNU-UHFFFAOYSA-N 0 0 407.417 4.109 20 5 HIBDRN O=C(CN[C@@H](c1ccccc1OC(F)F)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000492602269 904875725 /nfs/dbraw/zinc/87/57/25/904875725.db2.gz OYIIJXUGPBPSKE-HNNXBMFYSA-N 0 0 419.306 4.028 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000506225245 914851374 /nfs/dbraw/zinc/85/13/74/914851374.db2.gz IEVZKBLYSRGPMK-GOSISDBHSA-N 0 0 424.906 4.011 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000492675927 904886450 /nfs/dbraw/zinc/88/64/50/904886450.db2.gz BFLADOMHYMXKBW-MRXNPFEDSA-N 0 0 404.348 4.198 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000506227836 914852589 /nfs/dbraw/zinc/85/25/89/914852589.db2.gz RGCBPAZBKZPEQV-GOSISDBHSA-N 0 0 400.504 4.192 20 5 HIBDRN O=C(c1cccc(-c2noc(C3CC3)n2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492915261 904950927 /nfs/dbraw/zinc/95/09/27/904950927.db2.gz YIVMTUGWLRWFRV-UHFFFAOYSA-N 0 0 404.426 4.327 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000492938955 904959839 /nfs/dbraw/zinc/95/98/39/904959839.db2.gz WZWOMENKZQNVLD-CRAIPNDOSA-N 0 0 413.449 4.408 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000493133523 905027669 /nfs/dbraw/zinc/02/76/69/905027669.db2.gz PPQBDXFIMIWXAA-JXFKEZNVSA-N 0 0 415.465 4.494 20 5 HIBDRN Cc1ccccc1-c1nc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)no1 ZINC000493201580 905046676 /nfs/dbraw/zinc/04/66/76/905046676.db2.gz NCQRTAOWVASBHI-UHFFFAOYSA-N 0 0 421.438 4.007 20 5 HIBDRN COc1cc(C)c(CN(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000493240335 905062232 /nfs/dbraw/zinc/06/22/32/905062232.db2.gz VMIVCWPBEHUTHV-OAHLLOKOSA-N 0 0 401.463 4.131 20 5 HIBDRN Cc1c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cccc1C(=O)Nc1ccccc1 ZINC000493250396 905066735 /nfs/dbraw/zinc/06/67/35/905066735.db2.gz RTNJAFUGPVBELP-UHFFFAOYSA-N 0 0 415.409 4.284 20 5 HIBDRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])nc21 ZINC000493317690 905085879 /nfs/dbraw/zinc/08/58/79/905085879.db2.gz FFJMKJLEYPVRJH-JTQLQIEISA-N 0 0 421.500 4.009 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000493441394 905123419 /nfs/dbraw/zinc/12/34/19/905123419.db2.gz DYZCUSFEGYUJNL-ZDUSSCGKSA-N 0 0 405.501 4.203 20 5 HIBDRN O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000493567997 905164084 /nfs/dbraw/zinc/16/40/84/905164084.db2.gz WKAPJPLQNHBAOL-OAQYLSRUSA-N 0 0 418.453 4.115 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000493571475 905165064 /nfs/dbraw/zinc/16/50/64/905165064.db2.gz CGQRGILRFDRWAS-CQSZACIVSA-N 0 0 420.290 4.238 20 5 HIBDRN CCOC(=O)c1ccnc(N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1[N+](=O)[O-] ZINC000493734906 905205745 /nfs/dbraw/zinc/20/57/45/905205745.db2.gz GMANTFXWVAMABV-UHFFFAOYSA-N 0 0 418.453 4.398 20 5 HIBDRN CCCN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493906428 905260563 /nfs/dbraw/zinc/26/05/63/905260563.db2.gz LFMSAQJYHCCGBQ-QGZVFWFLSA-N 0 0 403.504 4.085 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1[N+](=O)[O-] ZINC000493917624 905268417 /nfs/dbraw/zinc/26/84/17/905268417.db2.gz SPOVDYJJLPNADF-GFCCVEGCSA-N 0 0 424.482 4.206 20 5 HIBDRN CC(C)c1ccc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c(C(C)C)c1 ZINC000512401414 921136450 /nfs/dbraw/zinc/13/64/50/921136450.db2.gz MEFUOXDXOJVHII-UHFFFAOYSA-N 0 0 411.458 4.206 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1nc2c(cccc2Br)s1 ZINC000494050395 905387645 /nfs/dbraw/zinc/38/76/45/905387645.db2.gz RFNBALNSUHMZKO-UHFFFAOYSA-N 0 0 407.249 4.289 20 5 HIBDRN COc1cc(CNc2cc(C)n(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494055600 905393211 /nfs/dbraw/zinc/39/32/11/905393211.db2.gz IWCRLCWPPBEXAW-UHFFFAOYSA-N 0 0 418.400 4.354 20 5 HIBDRN CNC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 ZINC000494062683 905398789 /nfs/dbraw/zinc/39/87/89/905398789.db2.gz LHKXIMXZLKHHQN-UHFFFAOYSA-N 0 0 402.476 4.347 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccccc1[N+](=O)[O-] ZINC000494121686 905466402 /nfs/dbraw/zinc/46/64/02/905466402.db2.gz JPFZEYSZOIMXOK-CYBMUJFWSA-N 0 0 405.857 4.060 20 5 HIBDRN Cc1nn(CCC(=O)Nc2cc(Cl)ccc2OC2CCCC2)c(C)c1[N+](=O)[O-] ZINC000494221187 905550596 /nfs/dbraw/zinc/55/05/96/905550596.db2.gz VVSILIVJJXOWPA-UHFFFAOYSA-N 0 0 406.870 4.412 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000494252902 905578504 /nfs/dbraw/zinc/57/85/04/905578504.db2.gz CFCZGAHGRVTDLT-HNNXBMFYSA-N 0 0 405.838 4.152 20 5 HIBDRN O=C(NCc1ccc(Br)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494409643 905700188 /nfs/dbraw/zinc/70/01/88/905700188.db2.gz ZOHCXSOEPWJPCR-UHFFFAOYSA-N 0 0 404.264 4.232 20 5 HIBDRN C/C(=C\c1ccccc1)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000494418616 905705734 /nfs/dbraw/zinc/70/57/34/905705734.db2.gz ORMIQNULTULJCI-JLHYYAGUSA-N 0 0 414.405 4.338 20 5 HIBDRN Cc1ccc(N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N(C)C(C)C ZINC000494443715 905728327 /nfs/dbraw/zinc/72/83/27/905728327.db2.gz BYRLOWFNIYBQAR-INIZCTEOSA-N 0 0 412.490 4.213 20 5 HIBDRN CC1(C)CCCN(C(=O)c2ccc(C(=O)N3CCCC(C)(C)C3)c([N+](=O)[O-])c2)C1 ZINC000494477931 905758455 /nfs/dbraw/zinc/75/84/55/905758455.db2.gz XLWWFVFUXSNGND-UHFFFAOYSA-N 0 0 401.507 4.119 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC=C(c2ccc(O)cc2)CC1 ZINC000512456502 921174224 /nfs/dbraw/zinc/17/42/24/921174224.db2.gz GPBATDHRYZQUEO-UHFFFAOYSA-N 0 0 422.359 4.171 20 5 HIBDRN Cc1nn(CCC(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)c(C)c1[N+](=O)[O-] ZINC000494493324 905779293 /nfs/dbraw/zinc/77/92/93/905779293.db2.gz JNEVVOIUUPUYBF-OAQYLSRUSA-N 0 0 404.470 4.269 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)cc1 ZINC000494495740 905783533 /nfs/dbraw/zinc/78/35/33/905783533.db2.gz OGSOBPCVDZGYDI-AEFFLSMTSA-N 0 0 418.812 4.057 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(OC(F)F)cc1F ZINC000512467097 921180050 /nfs/dbraw/zinc/18/00/50/921180050.db2.gz CHRLLTDFTDCMIL-UHFFFAOYSA-N 0 0 419.153 4.279 20 5 HIBDRN CC(C)(C)[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)cc1 ZINC000494719442 905922601 /nfs/dbraw/zinc/92/26/01/905922601.db2.gz FNGFVMRKLOOLKK-SFHVURJKSA-N 0 0 403.458 4.064 20 5 HIBDRN CSc1ccc(C(=O)N(C)Cc2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000494856873 906040409 /nfs/dbraw/zinc/04/04/09/906040409.db2.gz MLOONMPICNZRQG-UHFFFAOYSA-N 0 0 413.268 4.491 20 5 HIBDRN C[C@@H](C(=O)N(C)Cc1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000494864240 906047533 /nfs/dbraw/zinc/04/75/33/906047533.db2.gz MHXOUHJQZDRAQG-SNVBAGLBSA-N 0 0 413.218 4.398 20 5 HIBDRN COc1cccc(CCCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000494880264 906057676 /nfs/dbraw/zinc/05/76/76/906057676.db2.gz CYCMMNFACPUKOP-UHFFFAOYSA-N 0 0 411.380 4.054 20 5 HIBDRN CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000512505480 921204252 /nfs/dbraw/zinc/20/42/52/921204252.db2.gz XZMPHPYYRUUKOH-UHFFFAOYSA-N 0 0 404.348 4.466 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCOc2ccc(F)cc21 ZINC000495037111 906192751 /nfs/dbraw/zinc/19/27/51/906192751.db2.gz PPXAWIQYEFXNDW-OAHLLOKOSA-N 0 0 413.327 4.076 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000495144053 906269661 /nfs/dbraw/zinc/26/96/61/906269661.db2.gz YIYSHTAQKHQYJF-UHFFFAOYSA-N 0 0 422.485 4.417 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000512539094 921223214 /nfs/dbraw/zinc/22/32/14/921223214.db2.gz PCRPROALYXDYGU-HZPDHXFCSA-N 0 0 424.501 4.397 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](O)Cc1ccccc1 ZINC000495204171 906304988 /nfs/dbraw/zinc/30/49/88/906304988.db2.gz APVHVFDWABACEP-BEFAXECRSA-N 0 0 402.516 4.065 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1ccc2ccccc2n1 ZINC000495211910 906309575 /nfs/dbraw/zinc/30/95/75/906309575.db2.gz PJVYHFLIWMJHPA-UHFFFAOYSA-N 0 0 404.348 4.161 20 5 HIBDRN Cc1cn2c(n1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C)CCC2 ZINC000495329402 906379483 /nfs/dbraw/zinc/37/94/83/906379483.db2.gz LPZFXKDRDCWNMD-OAHLLOKOSA-N 0 0 402.520 4.155 20 5 HIBDRN C[C@@H]1CCC[C@H](NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)[C@H]1C ZINC000495365402 906407177 /nfs/dbraw/zinc/40/71/77/906407177.db2.gz DSLZLLKGWUOGIA-VCBZYWHSSA-N 0 0 409.555 4.120 20 5 HIBDRN COc1cc(CCC2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)cc(OC)c1 ZINC000495422494 906443224 /nfs/dbraw/zinc/44/32/24/906443224.db2.gz CYSUAXWXUMMTSY-UHFFFAOYSA-N 0 0 412.486 4.405 20 5 HIBDRN COc1cc(CCNC(=O)c2cc(Cl)ccc2OC(C)C)c([N+](=O)[O-])cc1OC ZINC000495496986 906486245 /nfs/dbraw/zinc/48/62/45/906486245.db2.gz KZACLWQBGMLYGM-UHFFFAOYSA-N 0 0 422.865 4.025 20 5 HIBDRN COc1ccc(OC)c([C@@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000495501330 906489918 /nfs/dbraw/zinc/48/99/18/906489918.db2.gz HPCQPEGETSPQLO-GFCCVEGCSA-N 0 0 413.455 4.227 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000512566164 921241046 /nfs/dbraw/zinc/24/10/46/921241046.db2.gz VNKCQKQGVIZWJU-KRWDZBQOSA-N 0 0 406.446 4.366 20 5 HIBDRN CCOCCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000495917559 906577338 /nfs/dbraw/zinc/57/73/38/906577338.db2.gz OPYKFCAOWXFDSH-KRWDZBQOSA-N 0 0 416.499 4.014 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2ccnn2C)C1 ZINC000512587492 921251295 /nfs/dbraw/zinc/25/12/95/921251295.db2.gz OVUDZGBJAHFFMU-OAHLLOKOSA-N 0 0 402.520 4.240 20 5 HIBDRN O=C(Nc1ccc(NCCc2ccccc2)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000496379842 906670455 /nfs/dbraw/zinc/67/04/55/906670455.db2.gz PDLQDXCLHJTKFS-UHFFFAOYSA-N 0 0 405.410 4.230 20 5 HIBDRN Cc1c(Br)cc(C(=O)N[C@@H](C)CC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000496389735 906671734 /nfs/dbraw/zinc/67/17/34/906671734.db2.gz DJCCMBFSOZARBZ-VIFPVBQESA-N 0 0 411.277 4.119 20 5 HIBDRN CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000496640915 906726688 /nfs/dbraw/zinc/72/66/88/906726688.db2.gz CNFAPZRAHIDQDB-QRWLVFNGSA-N 0 0 417.893 4.093 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1OC ZINC000512618554 921263975 /nfs/dbraw/zinc/26/39/75/921263975.db2.gz JYHWBQVVGSLYHA-GJZGRUSLSA-N 0 0 413.474 4.347 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(SC[C@@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 ZINC000497346564 906843660 /nfs/dbraw/zinc/84/36/60/906843660.db2.gz DRZWOLQKIBCEGE-HNNXBMFYSA-N 0 0 422.528 4.284 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)CO1 ZINC000497354579 906848983 /nfs/dbraw/zinc/84/89/83/906848983.db2.gz JHSVVHGMIIMXOF-SCLBCKFNSA-N 0 0 406.385 4.107 20 5 HIBDRN O=[N+]([O-])c1ccc2nc(N3CCO[C@H](c4ccc(OC(F)F)cc4)C3)ccc2c1 ZINC000497536253 907027161 /nfs/dbraw/zinc/02/71/61/907027161.db2.gz YGVHGYDWXZJGKZ-SFHVURJKSA-N 0 0 401.369 4.322 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cc(-c4ccccc4)[nH]n3)cc2)c(C)c1[N+](=O)[O-] ZINC000497567974 907054073 /nfs/dbraw/zinc/05/40/73/907054073.db2.gz OHZMCRCTHNXPOC-UHFFFAOYSA-N 0 0 416.441 4.099 20 5 HIBDRN O=C(c1ccc(OCc2ccncc2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000497584551 907067346 /nfs/dbraw/zinc/06/73/46/907067346.db2.gz GZTUOLJTTWUQCR-UHFFFAOYSA-N 0 0 403.438 4.374 20 5 HIBDRN Cc1cccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccn2)c1 ZINC000497598469 907077600 /nfs/dbraw/zinc/07/76/00/907077600.db2.gz ODLANWXWNAVEOE-IBGZPJMESA-N 0 0 413.380 4.419 20 5 HIBDRN C[C@@H](NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1cccc([N+](=O)[O-])c1 ZINC000512703999 921292498 /nfs/dbraw/zinc/29/24/98/921292498.db2.gz KEXIWUXOGISIBQ-NSPYISDASA-N 0 0 417.874 4.054 20 5 HIBDRN C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1cccc([N+](=O)[O-])c1 ZINC000512704001 921292622 /nfs/dbraw/zinc/29/26/22/921292622.db2.gz KEXIWUXOGISIBQ-WYRIXSBYSA-N 0 0 417.874 4.054 20 5 HIBDRN CC(C)[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000497635000 907118641 /nfs/dbraw/zinc/11/86/41/907118641.db2.gz WEPPDGQGAZVHNJ-GOSISDBHSA-N 0 0 415.881 4.364 20 5 HIBDRN O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497637743 907123180 /nfs/dbraw/zinc/12/31/80/907123180.db2.gz WFDIBLXJIZENNY-UHFFFAOYSA-N 0 0 409.269 4.380 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000497650285 907140134 /nfs/dbraw/zinc/14/01/34/907140134.db2.gz CNBDLYYUYBUGPZ-OALUTQOASA-N 0 0 403.866 4.010 20 5 HIBDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497660620 907152214 /nfs/dbraw/zinc/15/22/14/907152214.db2.gz HJXKWLLFODFEKX-UHFFFAOYSA-N 0 0 415.755 4.101 20 5 HIBDRN CC(C)(C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000497704464 907208587 /nfs/dbraw/zinc/20/85/87/907208587.db2.gz HVNIOYXJALDPQI-WMZOPIPTSA-N 0 0 406.841 4.311 20 5 HIBDRN COc1ccc(OC(F)F)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000497805498 907288658 /nfs/dbraw/zinc/28/86/58/907288658.db2.gz XHYJAXYGROFYOS-UHFFFAOYSA-N 0 0 404.272 4.059 20 5 HIBDRN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](C)C(=O)Nc1ccccc1 ZINC000497804961 907289982 /nfs/dbraw/zinc/28/99/82/907289982.db2.gz SVRYDTRSGSLPFM-CYBMUJFWSA-N 0 0 421.400 4.076 20 5 HIBDRN Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])s3)cc2)cs1 ZINC000512783271 921310720 /nfs/dbraw/zinc/31/07/20/921310720.db2.gz NNCSLNSBNAGNCE-JTQLQIEISA-N 0 0 409.514 4.128 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1nncn1C ZINC000497808542 907293008 /nfs/dbraw/zinc/29/30/08/907293008.db2.gz PHGLDEHYQPEFGK-NSHDSACASA-N 0 0 417.878 4.019 20 5 HIBDRN CC[C@H](NC(=O)NCc1ccc(Br)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000497822490 907304892 /nfs/dbraw/zinc/30/48/92/907304892.db2.gz NGFQRFRKAGXKLR-INIZCTEOSA-N 0 0 410.243 4.447 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512800655 921314238 /nfs/dbraw/zinc/31/42/38/921314238.db2.gz FVTJMOAWRPXHCS-HNAYVOBHSA-N 0 0 419.428 4.144 20 5 HIBDRN COc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1OCc1ccccc1 ZINC000497880418 907354598 /nfs/dbraw/zinc/35/45/98/907354598.db2.gz GXCXSXXFUQTKML-UHFFFAOYSA-N 0 0 412.467 4.482 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000497884739 907358038 /nfs/dbraw/zinc/35/80/38/907358038.db2.gz QPMQASWRQCYROB-NRFANRHFSA-N 0 0 408.433 4.392 20 5 HIBDRN Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000497898886 907371247 /nfs/dbraw/zinc/37/12/47/907371247.db2.gz NFENDIUCZGAEJP-UHFFFAOYSA-N 0 0 401.373 4.428 20 5 HIBDRN Cc1cccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccn2)c1 ZINC000497953533 907423217 /nfs/dbraw/zinc/42/32/17/907423217.db2.gz VNKGRNLCJIRNHY-LJQANCHMSA-N 0 0 417.874 4.020 20 5 HIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000497999106 907481813 /nfs/dbraw/zinc/48/18/13/907481813.db2.gz XNBSAKJHKIYLDY-ZDUSSCGKSA-N 0 0 407.239 4.201 20 5 HIBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000498011512 907503099 /nfs/dbraw/zinc/50/30/99/907503099.db2.gz IBDNYQAFUSUVNM-CYBMUJFWSA-N 0 0 407.239 4.201 20 5 HIBDRN CNc1c(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] ZINC000498026356 907526069 /nfs/dbraw/zinc/52/60/69/907526069.db2.gz IJAPXDMHUFPDMD-CQSZACIVSA-N 0 0 418.291 4.104 20 5 HIBDRN Cc1ccc(S(=O)(=O)[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000498051012 907562922 /nfs/dbraw/zinc/56/29/22/907562922.db2.gz XVLKKAYEPHTQAV-OAQYLSRUSA-N 0 0 424.478 4.365 20 5 HIBDRN CC(C)Oc1ccc(Cl)cc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000512830435 921334812 /nfs/dbraw/zinc/33/48/12/921334812.db2.gz ZXGRAUPGYJYESM-UHFFFAOYSA-N 0 0 406.822 4.449 20 5 HIBDRN CC(C)[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)NC1CCCC1 ZINC000498082565 907591269 /nfs/dbraw/zinc/59/12/69/907591269.db2.gz RIAOAOPDBLOWCR-FQEVSTJZSA-N 0 0 409.555 4.262 20 5 HIBDRN COc1ccc2nc(C)cc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000498151933 907677915 /nfs/dbraw/zinc/67/79/15/907677915.db2.gz GBPRXTULPDCFJK-OAQYLSRUSA-N 0 0 409.467 4.348 20 5 HIBDRN O=C(CCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000498159126 907686479 /nfs/dbraw/zinc/68/64/79/907686479.db2.gz HRAGVUFVHAMNOG-IBGZPJMESA-N 0 0 406.410 4.110 20 5 HIBDRN CCN(c1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cn1)C(C)C ZINC000498159635 907687031 /nfs/dbraw/zinc/68/70/31/907687031.db2.gz QTHNOXTYFJKOIY-HXUWFJFHSA-N 0 0 400.504 4.112 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1Cl ZINC000498178919 907710762 /nfs/dbraw/zinc/71/07/62/907710762.db2.gz GQIKSVIQWBNBJN-UHFFFAOYSA-N 0 0 412.833 4.189 20 5 HIBDRN O=C(Nc1ccc(Sc2nncs2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498184853 907717602 /nfs/dbraw/zinc/71/76/02/907717602.db2.gz HCHWRLUQVRHPFG-UHFFFAOYSA-N 0 0 409.452 4.398 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C1(Cc2cccc(F)c2)CCOCC1 ZINC000498249016 907787172 /nfs/dbraw/zinc/78/71/72/907787172.db2.gz BCIIYWWOQVMKNX-UHFFFAOYSA-N 0 0 420.868 4.086 20 5 HIBDRN Cc1ccc(-c2nc(CCNC(=O)c3ccc([N+](=O)[O-])c4cccnc34)co2)cc1 ZINC000498269345 907806629 /nfs/dbraw/zinc/80/66/29/907806629.db2.gz SUHABUYAZSTMES-UHFFFAOYSA-N 0 0 402.410 4.079 20 5 HIBDRN C[C@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000498388000 907873647 /nfs/dbraw/zinc/87/36/47/907873647.db2.gz ZTSVTRIUYYNLCV-OAHLLOKOSA-N 0 0 421.419 4.456 20 5 HIBDRN Cc1ccc(C)n1C1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000498468429 907937006 /nfs/dbraw/zinc/93/70/06/907937006.db2.gz YVEZZBYZMJYTIY-UHFFFAOYSA-N 0 0 404.898 4.256 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccc(F)cc1F)C1CC1 ZINC000498504107 907974818 /nfs/dbraw/zinc/97/48/18/907974818.db2.gz PBNNCIOQJCZHRJ-UHFFFAOYSA-N 0 0 409.820 4.443 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000498530946 907997447 /nfs/dbraw/zinc/99/74/47/907997447.db2.gz ASCRWSOCYULDNB-UHFFFAOYSA-N 0 0 424.375 4.436 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000498532674 908000353 /nfs/dbraw/zinc/00/03/53/908000353.db2.gz DJUXMOJKORAPPP-LBPRGKRZSA-N 0 0 424.400 4.483 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000498805159 908214989 /nfs/dbraw/zinc/21/49/89/908214989.db2.gz MXBYEOUUOYBCQD-CQSZACIVSA-N 0 0 404.348 4.051 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000498830732 908239554 /nfs/dbraw/zinc/23/95/54/908239554.db2.gz QLXKCUABUMWMPK-UHFFFAOYSA-N 0 0 416.441 4.105 20 5 HIBDRN CS(=O)(=O)c1ccc(N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000498849272 908253811 /nfs/dbraw/zinc/25/38/11/908253811.db2.gz HQLJDUZPCGRZRQ-UHFFFAOYSA-N 0 0 415.298 4.474 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(N3CCC=C(F)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000498853728 908257481 /nfs/dbraw/zinc/25/74/81/908257481.db2.gz YKCXYKCHOHOBMR-UHFFFAOYSA-N 0 0 405.451 4.076 20 5 HIBDRN CCC[C@H]1SCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000499041486 908415300 /nfs/dbraw/zinc/41/53/00/908415300.db2.gz OCZKMTCYRDGPKX-IFXJQAMLSA-N 0 0 400.504 4.478 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000499107013 908467517 /nfs/dbraw/zinc/46/75/17/908467517.db2.gz QVEUZLBXYRSGJN-UHFFFAOYSA-N 0 0 423.238 4.310 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H]3c3cccs3)cc2)c(C)c1[N+](=O)[O-] ZINC000499146756 908503215 /nfs/dbraw/zinc/50/32/15/908503215.db2.gz AOINFGUQFOYBAQ-GOSISDBHSA-N 0 0 410.499 4.495 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(Br)ccc2F)c1 ZINC000499157815 908514724 /nfs/dbraw/zinc/51/47/24/908514724.db2.gz OLQZVHPXRUPXQK-UHFFFAOYSA-N 0 0 413.268 4.491 20 5 HIBDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000499200863 908554718 /nfs/dbraw/zinc/55/47/18/908554718.db2.gz DMWOYAIMCDZBJC-GFCCVEGCSA-N 0 0 419.363 4.028 20 5 HIBDRN CN(c1ccccc1)c1ccc(CNc2ccc3c(c2)OCC(=O)N3)cc1[N+](=O)[O-] ZINC000512928496 921421555 /nfs/dbraw/zinc/42/15/55/921421555.db2.gz IRGMHGLXKUIHBP-UHFFFAOYSA-N 0 0 404.426 4.306 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCOC2(CCC2)C1 ZINC000499263861 908639404 /nfs/dbraw/zinc/63/94/04/908639404.db2.gz RFKIXNMNZCXKMA-LJQANCHMSA-N 0 0 415.877 4.183 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCOC2(CCC2)C1 ZINC000499263858 908639665 /nfs/dbraw/zinc/63/96/65/908639665.db2.gz RFKIXNMNZCXKMA-IBGZPJMESA-N 0 0 415.877 4.183 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@H](C)COC[C@H]1c1ccccc1 ZINC000499348805 908722840 /nfs/dbraw/zinc/72/28/40/908722840.db2.gz FVYRGGVVCURGAH-GLJUWKHASA-N 0 0 404.850 4.004 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000512948506 921433666 /nfs/dbraw/zinc/43/36/66/921433666.db2.gz OMTGZFSRYKVLAJ-UHFFFAOYSA-N 0 0 401.438 4.033 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000499359152 908729471 /nfs/dbraw/zinc/72/94/71/908729471.db2.gz HSANNBHBDPPENG-UHFFFAOYSA-N 0 0 413.817 4.458 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000512967383 921443089 /nfs/dbraw/zinc/44/30/89/921443089.db2.gz OEWAMBKGAZUHHD-UHFFFAOYSA-N 0 0 416.275 4.082 20 5 HIBDRN CCN(Cc1ccc(OC)cc1OC)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000499620369 908857476 /nfs/dbraw/zinc/85/74/76/908857476.db2.gz XMUUALVDTBUJJG-AWEZNQCLSA-N 0 0 404.488 4.141 20 5 HIBDRN COc1cccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1OC1CCCC1 ZINC000499778843 908916638 /nfs/dbraw/zinc/91/66/38/908916638.db2.gz KJYQZUSOUDVEIH-UHFFFAOYSA-N 0 0 409.442 4.336 20 5 HIBDRN CCCOc1ccccc1Oc1ncccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000499806389 908940432 /nfs/dbraw/zinc/94/04/32/908940432.db2.gz HYLKFRBSOHJHMA-UHFFFAOYSA-N 0 0 422.441 4.083 20 5 HIBDRN CCNc1ccc(C(=O)N(CC)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000499809821 908941962 /nfs/dbraw/zinc/94/19/62/908941962.db2.gz HTXJPRIDXHXSPS-UHFFFAOYSA-N 0 0 406.280 4.451 20 5 HIBDRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000512994587 921461593 /nfs/dbraw/zinc/46/15/93/921461593.db2.gz XSAIVUOLXDFTIE-QGZVFWFLSA-N 0 0 419.481 4.454 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Oc1ccc(C)nn1 ZINC000500037523 909494807 /nfs/dbraw/zinc/49/48/07/909494807.db2.gz KYUHECZIKYGMDT-AWEZNQCLSA-N 0 0 423.429 4.377 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](c1ccccc1Cl)C(C)C ZINC000500140974 909619621 /nfs/dbraw/zinc/61/96/21/909619621.db2.gz CQMLCTJBPUJEKN-SFHVURJKSA-N 0 0 412.895 4.275 20 5 HIBDRN COCCSc1ccc([C@@H](C)Nc2c(Br)cncc2[N+](=O)[O-])cc1 ZINC000500263933 909746807 /nfs/dbraw/zinc/74/68/07/909746807.db2.gz WQXJBPHWKIDMHC-LLVKDONJSA-N 0 0 412.309 4.086 20 5 HIBDRN CC(C)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000500279769 909757981 /nfs/dbraw/zinc/75/79/81/909757981.db2.gz GLOIVQUWWRXJJS-UHFFFAOYSA-N 0 0 403.866 4.207 20 5 HIBDRN O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000500290321 909762007 /nfs/dbraw/zinc/76/20/07/909762007.db2.gz RKTUMHUZZJLUPX-IBGZPJMESA-N 0 0 418.453 4.390 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000500330993 909789737 /nfs/dbraw/zinc/78/97/37/909789737.db2.gz LXKRHZFXVQUNRL-OLZOCXBDSA-N 0 0 423.391 4.169 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl ZINC000500330765 909790167 /nfs/dbraw/zinc/79/01/67/909790167.db2.gz QAXKXARQBNCRNV-UHFFFAOYSA-N 0 0 421.844 4.099 20 5 HIBDRN C[C@@H](C(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000500329748 909790234 /nfs/dbraw/zinc/79/02/34/909790234.db2.gz HHETWPGUIKSPKK-XCLFUZPHSA-N 0 0 406.841 4.009 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1cc(F)cc(F)c1 ZINC000500363412 909813491 /nfs/dbraw/zinc/81/34/91/909813491.db2.gz VSRFFIHINIUTFA-UHFFFAOYSA-N 0 0 420.359 4.343 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Nc2cccc(NC(=O)c3ccoc3)c2)cccc1[N+](=O)[O-] ZINC000500387159 909828753 /nfs/dbraw/zinc/82/87/53/909828753.db2.gz QAGGVNMDIPVQBQ-CQSZACIVSA-N 0 0 408.414 4.188 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000500469767 909876087 /nfs/dbraw/zinc/87/60/87/909876087.db2.gz 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C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000507155396 915896126 /nfs/dbraw/zinc/89/61/26/915896126.db2.gz AKGYZIOTPIKIKQ-SECBINFHSA-N 0 0 403.744 4.075 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCCc1cc(-c2ccccc2)no1 ZINC000507181821 915929388 /nfs/dbraw/zinc/92/93/88/915929388.db2.gz RTTKPDLYVOMRSE-UHFFFAOYSA-N 0 0 408.458 4.061 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)no1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000507197177 915945813 /nfs/dbraw/zinc/94/58/13/915945813.db2.gz PDBAHYZGHACFLO-UHFFFAOYSA-N 0 0 419.441 4.364 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000507238488 915997664 /nfs/dbraw/zinc/99/76/64/915997664.db2.gz RZDBTCVTWTUDKC-QFIPXVFZSA-N 0 0 419.485 4.186 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000507277188 916041162 /nfs/dbraw/zinc/04/11/62/916041162.db2.gz HMFPCHVUHKOFJA-SFHVURJKSA-N 0 0 406.891 4.397 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C 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CCCn1ccc2cc(NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc21 ZINC000509853644 918456835 /nfs/dbraw/zinc/45/68/35/918456835.db2.gz MCDWIJIHDSUELB-UHFFFAOYSA-N 0 0 407.474 4.314 20 5 HIBDRN Cc1csc(C(C)(C)NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000509860624 918463675 /nfs/dbraw/zinc/46/36/75/918463675.db2.gz CFNFXQLTOBMYRY-CYBMUJFWSA-N 0 0 402.520 4.261 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)[C@@H](C)C(C)C ZINC000509906138 918508687 /nfs/dbraw/zinc/50/86/87/918508687.db2.gz UZMMNHXZKPOQIZ-NSHDSACASA-N 0 0 404.248 4.014 20 5 HIBDRN Cc1nn(CCC(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000509944235 918539801 /nfs/dbraw/zinc/53/98/01/918539801.db2.gz YEHONKOELLXWPS-DOTOQJQBSA-N 0 0 424.423 4.270 20 5 HIBDRN CC[C@@H](C(=O)OC)N(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000509982767 918570706 /nfs/dbraw/zinc/57/07/06/918570706.db2.gz MUSRHDWWFDLXNN-KSSFIOAISA-N 0 0 402.472 4.060 20 5 HIBDRN COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 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O=[N+]([O-])c1cccc(-c2noc([C@H]3CCO[C@@H]3c3ccnn3Cc3ccccc3)n2)c1 ZINC000511154382 919774063 /nfs/dbraw/zinc/77/40/63/919774063.db2.gz IIKFSHIAEFKOMJ-ICSRJNTNSA-N 0 0 417.425 4.135 20 5 HIBDRN O=C(NCc1ccc(OC(F)F)c(F)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000511168881 919789872 /nfs/dbraw/zinc/78/98/72/919789872.db2.gz GTFYWAHPYMDHGO-UHFFFAOYSA-N 0 0 412.367 4.352 20 5 HIBDRN C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1Br)OCCO2 ZINC000511258907 919858389 /nfs/dbraw/zinc/85/83/89/919858389.db2.gz ICVOLCQSNXWVHS-SNVBAGLBSA-N 0 0 422.235 4.011 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1 ZINC000511302879 919896178 /nfs/dbraw/zinc/89/61/78/919896178.db2.gz VRBMMYUBDKWWFV-UHFFFAOYSA-N 0 0 421.478 4.499 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000511334984 919926341 /nfs/dbraw/zinc/92/63/41/919926341.db2.gz SELRWGCDCCLILA-ZDUSSCGKSA-N 0 0 417.263 4.212 20 5 HIBDRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 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IFDORZGSTPZQRH-SFHVURJKSA-N 0 0 401.438 4.220 20 5 HIBDRN COc1ccc(C[C@H](C)C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000511615429 920270408 /nfs/dbraw/zinc/27/04/08/920270408.db2.gz HBGFGLPVVLZUBB-QKKBWIMNSA-N 0 0 416.499 4.065 20 5 HIBDRN CCC1(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)CCN(C(=O)c2ccccc2)CC1 ZINC000511618474 920274557 /nfs/dbraw/zinc/27/45/57/920274557.db2.gz RIRQAQCFSFOFRJ-UHFFFAOYSA-N 0 0 421.497 4.207 20 5 HIBDRN COc1cc(CN(C)C[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000511639466 920302852 /nfs/dbraw/zinc/30/28/52/920302852.db2.gz GSJBBHOXGVTKFG-LJQANCHMSA-N 0 0 400.475 4.183 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(c3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CC2)c1 ZINC000511670646 920336088 /nfs/dbraw/zinc/33/60/88/920336088.db2.gz JSMQESIJCWAJSH-UHFFFAOYSA-N 0 0 411.502 4.398 20 5 HIBDRN O=C(N[C@@H]1CCc2ccccc2OC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000511673835 920338613 /nfs/dbraw/zinc/33/86/13/920338613.db2.gz PEUUDFZLTSXICY-LJQANCHMSA-N 0 0 418.449 4.297 20 5 HIBDRN CCCC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000511699742 920364312 /nfs/dbraw/zinc/36/43/12/920364312.db2.gz KMDZKYLQDOVIEZ-UHFFFAOYSA-N 0 0 416.259 4.288 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000511701175 920366543 /nfs/dbraw/zinc/36/65/43/920366543.db2.gz JGTPNYMXENKMPV-CQSZACIVSA-N 0 0 420.290 4.238 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cccc(C)c2)C(F)(F)F)cc1OC ZINC000511705120 920369738 /nfs/dbraw/zinc/36/97/38/920369738.db2.gz UXNNPIRLTNFGOI-QGZVFWFLSA-N 0 0 412.364 4.344 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)NCCc3nccnc3C)cc2[N+](=O)[O-])cc1 ZINC000511707860 920371740 /nfs/dbraw/zinc/37/17/40/920371740.db2.gz PPSNTRHEZUCTGD-UHFFFAOYSA-N 0 0 408.483 4.125 20 5 HIBDRN Cc1cccc([C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C(F)(F)F)c1 ZINC000511732330 920398038 /nfs/dbraw/zinc/39/80/38/920398038.db2.gz AMUBXZGBUVVXOS-QGZVFWFLSA-N 0 0 404.348 4.122 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000511848477 920571121 /nfs/dbraw/zinc/57/11/21/920571121.db2.gz DDRZGWKXCTXDIV-HNNXBMFYSA-N 0 0 407.426 4.068 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1OC(F)F ZINC000511863585 920591019 /nfs/dbraw/zinc/59/10/19/920591019.db2.gz KKMOHUYNYNIYMS-UHFFFAOYSA-N 0 0 404.348 4.084 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)c2cccnc12 ZINC000511934274 920685974 /nfs/dbraw/zinc/68/59/74/920685974.db2.gz JIOXSCDWTRYQMO-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000511960708 920725630 /nfs/dbraw/zinc/72/56/30/920725630.db2.gz NHWDWZNXBOXKKW-FUHWJXTLSA-N 0 0 418.291 4.097 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccsc1Br ZINC000511976700 920745640 /nfs/dbraw/zinc/74/56/40/920745640.db2.gz IOJCFUVMISFGFI-UHFFFAOYSA-N 0 0 419.684 4.158 20 5 HIBDRN CCN(C)C(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1 ZINC000511989714 920758725 /nfs/dbraw/zinc/75/87/25/920758725.db2.gz MASVENBBFBZHBZ-UHFFFAOYSA-N 0 0 424.482 4.371 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccsc1Br ZINC000511998594 920767571 /nfs/dbraw/zinc/76/75/71/920767571.db2.gz IXOXHWJCDKNFBR-QMMMGPOBSA-N 0 0 419.684 4.156 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccsc1Br ZINC000512010655 920782226 /nfs/dbraw/zinc/78/22/26/920782226.db2.gz RTPQCVNRGGYDHD-UHFFFAOYSA-N 0 0 421.725 4.481 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NC2(C)Cc3ccccc3C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000512146373 920888822 /nfs/dbraw/zinc/88/88/22/920888822.db2.gz PJJVYYKWZWMIMK-INIZCTEOSA-N 0 0 416.481 4.450 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(COC(C)C)cc2)cc1[N+](=O)[O-] ZINC000512163204 920899501 /nfs/dbraw/zinc/89/95/01/920899501.db2.gz LIRXLNQHYWJPCS-UHFFFAOYSA-N 0 0 404.488 4.400 20 5 HIBDRN COc1ccc(-c2noc(CCCC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)n2)cc1 ZINC000512198785 920945841 /nfs/dbraw/zinc/94/58/41/920945841.db2.gz SDLLYBIFMDYUKS-UHFFFAOYSA-N 0 0 410.430 4.232 20 5 HIBDRN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000512278081 921033351 /nfs/dbraw/zinc/03/33/51/921033351.db2.gz BLFMEGFOUJPZOH-GUYCJALGSA-N 0 0 419.275 4.255 20 5 HIBDRN O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000512278079 921033524 /nfs/dbraw/zinc/03/35/24/921033524.db2.gz BLFMEGFOUJPZOH-DYVFJYSZSA-N 0 0 419.275 4.255 20 5 HIBDRN CC(C)Oc1cc(Br)ccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512291481 921045976 /nfs/dbraw/zinc/04/59/76/921045976.db2.gz AKSWFIDYVJCKOK-UHFFFAOYSA-N 0 0 405.248 4.347 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc(-c4ccncc4)[nH]n3)cc2[N+](=O)[O-])C1 ZINC000512299916 921055776 /nfs/dbraw/zinc/05/57/76/921055776.db2.gz BYKJOIFZJGIXJE-GJZGRUSLSA-N 0 0 420.473 4.115 20 5 HIBDRN Cc1nn(C)c(C(=O)N[C@@H](c2cccs2)c2ccc3c(c2)CCCC3)c1[N+](=O)[O-] ZINC000512299288 921055886 /nfs/dbraw/zinc/05/58/86/921055886.db2.gz MUDBOVIFBVAQHZ-GOSISDBHSA-N 0 0 410.499 4.096 20 5 HIBDRN C[C@@H]1c2cccc(Br)c2CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000512318723 921070305 /nfs/dbraw/zinc/07/03/05/921070305.db2.gz CGLMHVHAGBXCHE-LLVKDONJSA-N 0 0 407.239 4.185 20 5 HIBDRN Cc1ccccc1CN(C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000512353474 921098639 /nfs/dbraw/zinc/09/86/39/921098639.db2.gz QCAWLNBSSVLUMG-UHFFFAOYSA-N 0 0 424.238 4.088 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)cc1OC ZINC000512366093 921108468 /nfs/dbraw/zinc/10/84/68/921108468.db2.gz HQGFQRBSFWOPML-HXUWFJFHSA-N 0 0 422.840 4.366 20 5 HIBDRN CCc1nc2cc(CNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000513447188 921813659 /nfs/dbraw/zinc/81/36/59/921813659.db2.gz LTSLZDMLKZBEGU-UHFFFAOYSA-N 0 0 406.486 4.436 20 5 HIBDRN CC(=O)N(c1nc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1)C1CC1 ZINC000513494840 921845420 /nfs/dbraw/zinc/84/54/20/921845420.db2.gz YHLFUSVJJQRNFM-UHFFFAOYSA-N 0 0 401.366 4.164 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000513514585 921859894 /nfs/dbraw/zinc/85/98/94/921859894.db2.gz KFMHQDDKUSUBIB-CQSZACIVSA-N 0 0 402.209 4.286 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(COc2ccccc2C(=O)N(C)C)cc1OC ZINC000513587593 921918458 /nfs/dbraw/zinc/91/84/58/921918458.db2.gz YZHDTMVWVHYZPB-HNNXBMFYSA-N 0 0 416.474 4.309 20 5 HIBDRN Cc1ccc(-c2nc(CCNc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)co2)cc1 ZINC000513634419 921959610 /nfs/dbraw/zinc/95/96/10/921959610.db2.gz AOIIQZVTPVLXBG-UHFFFAOYSA-N 0 0 420.469 4.449 20 5 HIBDRN CN(Cc1csc(Br)c1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513657556 921979497 /nfs/dbraw/zinc/97/94/97/921979497.db2.gz IBBUCQBONABTPI-UHFFFAOYSA-N 0 0 421.219 4.292 20 5 HIBDRN O=C(NCCOc1ccc(C(F)(F)F)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513663852 921986138 /nfs/dbraw/zinc/98/61/38/921986138.db2.gz NOPIFGOUGIKNHW-UHFFFAOYSA-N 0 0 420.290 4.024 20 5 HIBDRN O=C(NCc1nc2cc(Cl)ccc2s1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513663474 921986441 /nfs/dbraw/zinc/98/64/41/921986441.db2.gz IZAPPBDCBCLXAP-UHFFFAOYSA-N 0 0 413.789 4.389 20 5 HIBDRN Cn1ccnc1[C@H](NCCOc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000513672523 921995876 /nfs/dbraw/zinc/99/58/76/921995876.db2.gz LETGCTJAMSVTRZ-GOSISDBHSA-N 0 0 420.391 4.105 20 5 HIBDRN O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513675025 921996861 /nfs/dbraw/zinc/99/68/61/921996861.db2.gz NFDHRFDLJIXYNQ-UHFFFAOYSA-N 0 0 402.313 4.031 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1OC ZINC000513675584 921998765 /nfs/dbraw/zinc/99/87/65/921998765.db2.gz TVYLDQWTWUIEOR-NSHDSACASA-N 0 0 410.373 4.013 20 5 HIBDRN Cc1ccc(OC(F)F)c(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000513678484 922000201 /nfs/dbraw/zinc/00/02/01/922000201.db2.gz NYGCCXOGCGDNCI-SFHVURJKSA-N 0 0 402.401 4.117 20 5 HIBDRN Cn1ccnc1[C@@H](NCCOc1ccccc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000513702769 922022044 /nfs/dbraw/zinc/02/20/44/922022044.db2.gz MTSDMMNUFORDJQ-NRFANRHFSA-N 0 0 408.502 4.384 20 5 HIBDRN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513710623 922030690 /nfs/dbraw/zinc/03/06/90/922030690.db2.gz VVKCOIUUSJITNP-AWEZNQCLSA-N 0 0 422.384 4.396 20 5 HIBDRN Cc1cccc(Cn2nccc2NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000513716145 922036273 /nfs/dbraw/zinc/03/62/73/922036273.db2.gz XNXQLNUUGZDVLU-UHFFFAOYSA-N 0 0 402.357 4.002 20 5 HIBDRN Cn1ccnc1Sc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000513720464 922040938 /nfs/dbraw/zinc/04/09/38/922040938.db2.gz KYGRYZIRQBBEHQ-UHFFFAOYSA-N 0 0 420.397 4.333 20 5 HIBDRN CCCc1cccc(C(C)C)c1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513733624 922054564 /nfs/dbraw/zinc/05/45/64/922054564.db2.gz RGDWQDKNKIHYIE-UHFFFAOYSA-N 0 0 404.488 4.327 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCC[C@H](C(=O)N(C)C)C3)c([N+](=O)[O-])c2)cc1 ZINC000513735107 922055460 /nfs/dbraw/zinc/05/54/60/922055460.db2.gz JOSWPSVTOQMJEU-PKOBYXMFSA-N 0 0 424.501 4.214 20 5 HIBDRN Cc1cccc(CN(Cc2ccccn2)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000513740987 922062727 /nfs/dbraw/zinc/06/27/27/922062727.db2.gz CCHYENPKCFRMIQ-UHFFFAOYSA-N 0 0 405.454 4.367 20 5 HIBDRN COCCO[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000513768940 922088092 /nfs/dbraw/zinc/08/80/92/922088092.db2.gz DKYVSJJZCUAWEJ-GOSISDBHSA-N 0 0 416.499 4.014 20 5 HIBDRN CCOC(=O)c1sc2nc(CSCc3ccc([N+](=O)[O-])cc3)nc(N)c2c1C ZINC000513810979 922135585 /nfs/dbraw/zinc/13/55/85/922135585.db2.gz KOXXZFKNZHSUEV-UHFFFAOYSA-N 0 0 418.500 4.100 20 5 HIBDRN CC(C)[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000513813142 922137993 /nfs/dbraw/zinc/13/79/93/922137993.db2.gz YICZYNNZBPEKIJ-UYAOXDASSA-N 0 0 400.500 4.493 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000513815689 922139667 /nfs/dbraw/zinc/13/96/67/922139667.db2.gz ZDWVEQDUQDROFK-UHFFFAOYSA-N 0 0 424.526 4.006 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)CSCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000513820643 922143633 /nfs/dbraw/zinc/14/36/33/922143633.db2.gz UBDXHNSFRRYLMP-IBGZPJMESA-N 0 0 416.499 4.209 20 5 HIBDRN Cc1cc(CSc2ncccc2C(=O)N2CCCc3c([N+](=O)[O-])cccc32)no1 ZINC000513838223 922165138 /nfs/dbraw/zinc/16/51/38/922165138.db2.gz NJHQBRXZIPCHQD-UHFFFAOYSA-N 0 0 410.455 4.172 20 5 HIBDRN Cc1c(I)cccc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000513840104 922167119 /nfs/dbraw/zinc/16/71/19/922167119.db2.gz WWXQIONHUGWOFS-UHFFFAOYSA-N 0 0 422.222 4.101 20 5 HIBDRN COc1ccc(N(C(C)=O)c2nc(-c3nc4cc([N+](=O)[O-])ccc4n3C)cs2)cc1 ZINC000513859203 922186660 /nfs/dbraw/zinc/18/66/60/922186660.db2.gz IVJKSEHHXUMGGM-UHFFFAOYSA-N 0 0 423.454 4.298 20 5 HIBDRN COc1cc(C(=O)N2CCCCc3c(OC)cccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000513879654 922208655 /nfs/dbraw/zinc/20/86/55/922208655.db2.gz HYIJFULXZJFMGZ-UHFFFAOYSA-N 0 0 422.384 4.197 20 5 HIBDRN COc1ccc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000513896101 922222317 /nfs/dbraw/zinc/22/23/17/922222317.db2.gz ROEJHIBCSJLIAO-CQSZACIVSA-N 0 0 404.850 4.188 20 5 HIBDRN C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000513937016 922256504 /nfs/dbraw/zinc/25/65/04/922256504.db2.gz BFYYHJGEPGCIIH-SNVBAGLBSA-N 0 0 404.835 4.418 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000513997439 922321647 /nfs/dbraw/zinc/32/16/47/922321647.db2.gz RWYUFSQASOKWRA-QFIPXVFZSA-N 0 0 417.896 4.121 20 5 HIBDRN Cn1ccnc1[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000514085130 922408443 /nfs/dbraw/zinc/40/84/43/922408443.db2.gz UDJLTPJLQWPHKH-QGZVFWFLSA-N 0 0 406.364 4.106 20 5 HIBDRN COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000514125581 922457499 /nfs/dbraw/zinc/45/74/99/922457499.db2.gz WVXQGFQFNOMWOM-KRWDZBQOSA-N 0 0 419.865 4.041 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(c1cccc(F)c1)C1CCOCC1 ZINC000514178395 922516264 /nfs/dbraw/zinc/51/62/64/922516264.db2.gz MLXAHTUQUGOLJS-UHFFFAOYSA-N 0 0 410.348 4.161 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000514223847 922558152 /nfs/dbraw/zinc/55/81/52/922558152.db2.gz UFHCWWPGAFSUSO-ACJLOTCBSA-N 0 0 406.385 4.107 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000514241313 922582366 /nfs/dbraw/zinc/58/23/66/922582366.db2.gz GJASTVFHQXIQAP-MRXNPFEDSA-N 0 0 424.375 4.157 20 5 HIBDRN Cn1c(=O)c2c3c(sc2nc1SCCc1ccc([N+](=O)[O-])cc1)CCCC3 ZINC000514434454 922625196 /nfs/dbraw/zinc/62/51/96/922625196.db2.gz JXSMZYSSVCYYKX-UHFFFAOYSA-N 0 0 401.513 4.117 20 5 HIBDRN C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000562385885 945067258 /nfs/dbraw/zinc/06/72/58/945067258.db2.gz GEHRVUAXMXRTMN-LLVKDONJSA-N 0 0 410.257 4.102 20 5 HIBDRN CC(C)[C@H](Oc1ccccc1Br)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000514451699 922632929 /nfs/dbraw/zinc/63/29/29/922632929.db2.gz SGWBHIZHLJIJAW-SFHVURJKSA-N 0 0 421.291 4.419 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000514465880 922637149 /nfs/dbraw/zinc/63/71/49/922637149.db2.gz JECAAQLCYBSGSM-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000514501782 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NOIQXCDGKVMCTQ-SMDDNHRTSA-N 0 0 410.879 4.318 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1OC ZINC000517928746 926893825 /nfs/dbraw/zinc/89/38/25/926893825.db2.gz LXLNUAFPZSAHMF-HXUWFJFHSA-N 0 0 402.422 4.412 20 5 HIBDRN O=C(c1cc(NCCOc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-])N1CCCC1 ZINC000518040639 926979040 /nfs/dbraw/zinc/97/90/40/926979040.db2.gz IKJOYLJEHGOJKD-UHFFFAOYSA-N 0 0 423.391 4.341 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000518043369 926981738 /nfs/dbraw/zinc/98/17/38/926981738.db2.gz CLAMAFOFLNHOLW-ZDUSSCGKSA-N 0 0 402.520 4.440 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cccc1[N+](=O)[O-] ZINC000518081294 927011166 /nfs/dbraw/zinc/01/11/66/927011166.db2.gz SIXAIWVKVYLEFM-UHFFFAOYSA-N 0 0 421.375 4.052 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3cc(CC(C)(C)C)nn3C)cc2[N+](=O)[O-])C1 ZINC000518120050 927030779 /nfs/dbraw/zinc/03/07/79/927030779.db2.gz OLVOXNJHIJFTAF-HNNXBMFYSA-N 0 0 413.522 4.406 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H](C)COc2cccc(F)c2)c([N+](=O)[O-])cc1OCC ZINC000518179771 927067009 /nfs/dbraw/zinc/06/70/09/927067009.db2.gz AKXPXZXGOBVAID-ZDUSSCGKSA-N 0 0 421.425 4.120 20 5 HIBDRN C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000518228668 927091235 /nfs/dbraw/zinc/09/12/35/927091235.db2.gz WBMIMGDOHFHQKR-LBPRGKRZSA-N 0 0 419.428 4.029 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000518246032 927105914 /nfs/dbraw/zinc/10/59/14/927105914.db2.gz NVCSJDFNGZMACX-SFHVURJKSA-N 0 0 408.414 4.021 20 5 HIBDRN CCO[C@@H](c1noc(-c2ccc([N+](=O)[O-])cn2)n1)c1ccc(F)cc1C(F)(F)F ZINC000518257477 927113927 /nfs/dbraw/zinc/11/39/27/927113927.db2.gz DHGBHIUEDQVSEQ-CQSZACIVSA-N 0 0 412.299 4.324 20 5 HIBDRN C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cc(F)c(Cl)cc1Cl ZINC000518281691 927139109 /nfs/dbraw/zinc/13/91/09/927139109.db2.gz BBPNQSKWLYGLSG-VIFPVBQESA-N 0 0 424.219 4.112 20 5 HIBDRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518309458 927171603 /nfs/dbraw/zinc/17/16/03/927171603.db2.gz STQQLKBZBXVEDR-UHFFFAOYSA-N 0 0 415.833 4.031 20 5 HIBDRN C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000518354694 927216280 /nfs/dbraw/zinc/21/62/80/927216280.db2.gz GKNGEHWFRAMNAX-INIZCTEOSA-N 0 0 406.442 4.129 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H](c2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC000518384702 927232478 /nfs/dbraw/zinc/23/24/78/927232478.db2.gz HSIZCGWDOMILOA-FQEVSTJZSA-N 0 0 421.453 4.330 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000518405213 927246385 /nfs/dbraw/zinc/24/63/85/927246385.db2.gz SRXPZFGZCWOIKP-HIFRSBDPSA-N 0 0 406.385 4.271 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N(C)Cc2cccc(O)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000518436613 927270458 /nfs/dbraw/zinc/27/04/58/927270458.db2.gz KUYRQCGNSOADHE-OAHLLOKOSA-N 0 0 406.442 4.141 20 5 HIBDRN CNc1ccc(C(=O)N[C@H](C)CCc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000518469050 927294576 /nfs/dbraw/zinc/29/45/76/927294576.db2.gz XSEFLZVOQUXASX-GFCCVEGCSA-N 0 0 406.280 4.150 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000518556220 927345461 /nfs/dbraw/zinc/34/54/61/927345461.db2.gz BGXBVCLOWLMJGR-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN COc1ccc2oc([C@@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c(C)c2c1 ZINC000518575757 927356242 /nfs/dbraw/zinc/35/62/42/927356242.db2.gz OONABGDHSFKWQV-LLVKDONJSA-N 0 0 424.862 4.351 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000518657146 927410017 /nfs/dbraw/zinc/41/00/17/927410017.db2.gz HBJPFMHSZXCNEZ-SECBINFHSA-N 0 0 419.684 4.050 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 ZINC000518816083 927510859 /nfs/dbraw/zinc/51/08/59/927510859.db2.gz OKEHNBCORMXQER-UHFFFAOYSA-N 0 0 402.410 4.382 20 5 HIBDRN Cc1ccc(CN(Cc2ccco2)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000518827611 927523975 /nfs/dbraw/zinc/52/39/75/927523975.db2.gz 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COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000520155736 928349076 /nfs/dbraw/zinc/34/90/76/928349076.db2.gz VLCSXTJQNQPWQM-KRWDZBQOSA-N 0 0 408.451 4.049 20 5 HIBDRN CC[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccccc2)c[nH]1 ZINC000520162831 928355597 /nfs/dbraw/zinc/35/55/97/928355597.db2.gz WAWQKRWYHCURKG-SFHVURJKSA-N 0 0 416.441 4.052 20 5 HIBDRN O=C(NCc1cc(Br)ccc1OC(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520226893 928399908 /nfs/dbraw/zinc/39/99/08/928399908.db2.gz YRALNYGNVTWNJO-UHFFFAOYSA-N 0 0 419.153 4.028 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520227967 928401682 /nfs/dbraw/zinc/40/16/82/928401682.db2.gz LQVVDDUCSFPNDI-UHFFFAOYSA-N 0 0 414.220 4.142 20 5 HIBDRN CCOC(=O)c1c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)sc2c1CCSC2 ZINC000520228740 928401884 /nfs/dbraw/zinc/40/18/84/928401884.db2.gz HWQRPQRNOULNOB-UHFFFAOYSA-N 0 0 410.448 4.014 20 5 HIBDRN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000520227940 928401942 /nfs/dbraw/zinc/40/19/42/928401942.db2.gz JPLZSXNUDSACLN-UHFFFAOYSA-N 0 0 423.816 4.269 20 5 HIBDRN COc1ccc(CC(=O)NCC2(Sc3ccccc3)CCCC2)cc1[N+](=O)[O-] ZINC000520237980 928406276 /nfs/dbraw/zinc/40/62/76/928406276.db2.gz MZBJMQBMTCASQH-UHFFFAOYSA-N 0 0 400.500 4.367 20 5 HIBDRN O=c1c(Cl)c(N2CCC[C@H]2c2cccs2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000520245159 928413414 /nfs/dbraw/zinc/41/34/14/928413414.db2.gz ROAQIOVJAGNBDT-AWEZNQCLSA-N 0 0 402.863 4.197 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(Cl)ccc1OC(F)F ZINC000520282695 928445287 /nfs/dbraw/zinc/44/52/87/928445287.db2.gz PGJWMTADBUGBRH-UHFFFAOYSA-N 0 0 409.776 4.303 20 5 HIBDRN Cc1noc(-c2ccc(C)c(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2)n1 ZINC000520387888 928539165 /nfs/dbraw/zinc/53/91/65/928539165.db2.gz SNQFTXVWDJZECF-LLVKDONJSA-N 0 0 416.821 4.321 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2nc3cc(Cl)ccc3s2)cc1OC ZINC000520407987 928550447 /nfs/dbraw/zinc/55/04/47/928550447.db2.gz DRALJFYNGVJXIQ-UHFFFAOYSA-N 0 0 421.862 4.195 20 5 HIBDRN COc1cc(OCC(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000520544069 928631748 /nfs/dbraw/zinc/63/17/48/928631748.db2.gz HYYBIFWYWBFVKP-LBPRGKRZSA-N 0 0 412.364 4.221 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC[C@H]1CC=CCC1 ZINC000520558721 928640546 /nfs/dbraw/zinc/64/05/46/928640546.db2.gz FOILIRIHDJBXGN-SFHVURJKSA-N 0 0 416.481 4.463 20 5 HIBDRN Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1[N+](=O)[O-] ZINC000520590415 928658095 /nfs/dbraw/zinc/65/80/95/928658095.db2.gz DQWFGCHIZIXKGF-UHFFFAOYSA-N 0 0 406.446 4.100 20 5 HIBDRN COc1cc(OCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000520617101 928676609 /nfs/dbraw/zinc/67/66/09/928676609.db2.gz QIXYYXQIICNECZ-NRFANRHFSA-N 0 0 418.449 4.157 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000520651773 928700757 /nfs/dbraw/zinc/70/07/57/928700757.db2.gz HNQXXPKAFPTJGA-NSHDSACASA-N 0 0 419.377 4.178 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCCc3ccc4ccccc4n3)cc2[N+](=O)[O-])C1 ZINC000520772464 928810848 /nfs/dbraw/zinc/81/08/48/928810848.db2.gz ZPPTWNQOSNTPML-KRWDZBQOSA-N 0 0 418.497 4.352 20 5 HIBDRN O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000520915940 928873265 /nfs/dbraw/zinc/87/32/65/928873265.db2.gz FGVIPUCFHGPPST-UHFFFAOYSA-N 0 0 413.796 4.366 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(Br)ccc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000520917348 928874159 /nfs/dbraw/zinc/87/41/59/928874159.db2.gz ZQXRRDPOVWSENX-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1ccc(F)cc1 ZINC000521000324 928916764 /nfs/dbraw/zinc/91/67/64/928916764.db2.gz USHPWONIUSNLIQ-UHFFFAOYSA-N 0 0 410.401 4.122 20 5 HIBDRN COc1c(Cl)cc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000521008434 928923715 /nfs/dbraw/zinc/92/37/15/928923715.db2.gz LHVOOFSRSNYCTI-UHFFFAOYSA-N 0 0 400.218 4.111 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000521016673 928932858 /nfs/dbraw/zinc/93/28/58/928932858.db2.gz RBSFRNWSEZFZCA-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN Cc1ccc(NC(=O)Cc2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000521020250 928937783 /nfs/dbraw/zinc/93/77/83/928937783.db2.gz UBGUUVIRVNRMKO-GFCCVEGCSA-N 0 0 416.821 4.261 20 5 HIBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000521031752 928948273 /nfs/dbraw/zinc/94/82/73/928948273.db2.gz SNNQWCWRDCHWMF-UHFFFAOYSA-N 0 0 423.391 4.367 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000521153896 929027931 /nfs/dbraw/zinc/02/79/31/929027931.db2.gz MYRUKKDSROUHMV-GOSISDBHSA-N 0 0 412.442 4.070 20 5 HIBDRN CC(C)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000521155682 929029412 /nfs/dbraw/zinc/02/94/12/929029412.db2.gz GTTCBIMACIHSGO-UHFFFAOYSA-N 0 0 402.394 4.213 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(Cc1cccs1)c1ccc(F)cc1 ZINC000521185468 929051279 /nfs/dbraw/zinc/05/12/79/929051279.db2.gz RCDFEEFIQWAKPT-UHFFFAOYSA-N 0 0 400.387 4.371 20 5 HIBDRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000521241516 929075646 /nfs/dbraw/zinc/07/56/46/929075646.db2.gz SQBMUZUXTQQTOB-QGZVFWFLSA-N 0 0 416.499 4.147 20 5 HIBDRN C[C@H]1CCCC[C@@H]1CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000521271517 929092417 /nfs/dbraw/zinc/09/24/17/929092417.db2.gz SJVGCQWVXZIOQU-QWHCGFSZSA-N 0 0 423.516 4.039 20 5 HIBDRN O=C(Nc1ccccc1Oc1ccccc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000521337871 929153473 /nfs/dbraw/zinc/15/34/73/929153473.db2.gz NALYAQRYTVWEOM-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000521493587 929250615 /nfs/dbraw/zinc/25/06/15/929250615.db2.gz CHKHPPJEADORPR-UHFFFAOYSA-N 0 0 412.299 4.003 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1[N+](=O)[O-] ZINC000521493687 929251071 /nfs/dbraw/zinc/25/10/71/929251071.db2.gz IYCURUOGVHKKHG-UHFFFAOYSA-N 0 0 419.356 4.243 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H](c4ccncc4)C3)cc2[N+](=O)[O-])C1 ZINC000521511965 929266085 /nfs/dbraw/zinc/26/60/85/929266085.db2.gz HTBKSXCLKARPQL-UEXGIBASSA-N 0 0 422.529 4.492 20 5 HIBDRN Cc1ccc([C@H]2CSCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000521581217 929310371 /nfs/dbraw/zinc/31/03/71/929310371.db2.gz RAOIFUVXGKHQPO-MRXNPFEDSA-N 0 0 412.920 4.035 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000521667952 929356656 /nfs/dbraw/zinc/35/66/56/929356656.db2.gz UBXJDQVYYUUVJJ-SECBINFHSA-N 0 0 403.913 4.042 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1cc3c(cc1[N+](=O)[O-])CCC(=O)N3)O[C@H](C)C2 ZINC000521672631 929359622 /nfs/dbraw/zinc/35/96/22/929359622.db2.gz QCAHOAMWWZPYOM-HNJNHCNJSA-N 0 0 423.469 4.170 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNc1cccc(C)c1C(=O)NCCc1ccccc1 ZINC000521721388 929388179 /nfs/dbraw/zinc/38/81/79/929388179.db2.gz WGNCCMHELVQDHZ-UHFFFAOYSA-N 0 0 419.481 4.496 20 5 HIBDRN C[C@@H]1CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000521721929 929389443 /nfs/dbraw/zinc/38/94/43/929389443.db2.gz VHNSUCILOHDLMC-CQSZACIVSA-N 0 0 413.440 4.479 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2cscn2)c2ccccc2)c1C ZINC000521748628 929409147 /nfs/dbraw/zinc/40/91/47/929409147.db2.gz ILDIZTPIKFGUDA-UHFFFAOYSA-N 0 0 403.485 4.064 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000521770220 929431798 /nfs/dbraw/zinc/43/17/98/929431798.db2.gz KBMRBISSVJXRBV-INIZCTEOSA-N 0 0 424.500 4.193 20 5 HIBDRN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000521773864 929434506 /nfs/dbraw/zinc/43/45/06/929434506.db2.gz XVKPQLLPXDYXEP-SECBINFHSA-N 0 0 407.250 4.422 20 5 HIBDRN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000521835660 929488424 /nfs/dbraw/zinc/48/84/24/929488424.db2.gz OPCLGHQOTFXKKE-KBPBESRZSA-N 0 0 413.449 4.413 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)cc1[N+](=O)[O-] ZINC000521870943 929521150 /nfs/dbraw/zinc/52/11/50/929521150.db2.gz REPUQSMOIAXIKM-UHFFFAOYSA-N 0 0 420.425 4.170 20 5 HIBDRN CCOC(=O)c1cc(-c2nc(-c3cccc(Br)c3)no2)cc([N+](=O)[O-])c1 ZINC000521895908 929542456 /nfs/dbraw/zinc/54/24/56/929542456.db2.gz QYTTXTWWJGZGSV-UHFFFAOYSA-N 0 0 418.203 4.251 20 5 HIBDRN COC(=O)c1ccc(-c2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000521904495 929548848 /nfs/dbraw/zinc/54/88/48/929548848.db2.gz RQWALMPDAVAPGY-JTQLQIEISA-N 0 0 403.778 4.225 20 5 HIBDRN CCCc1n[nH]c(C(=O)NCc2ccc(Oc3ccc(F)cc3)c(C)c2)c1[N+](=O)[O-] ZINC000521912026 929556987 /nfs/dbraw/zinc/55/69/87/929556987.db2.gz NQALODOKLYZNPH-UHFFFAOYSA-N 0 0 412.421 4.440 20 5 HIBDRN Cc1nc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)nn1-c1ccc(F)cc1 ZINC000521927899 929568883 /nfs/dbraw/zinc/56/88/83/929568883.db2.gz CJVLVCQFPBYPFS-UHFFFAOYSA-N 0 0 409.421 4.212 20 5 HIBDRN CC(C)CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000521956403 929592795 /nfs/dbraw/zinc/59/27/95/929592795.db2.gz SYPPAJKGGKHDJB-QGZVFWFLSA-N 0 0 415.515 4.488 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H](Nc4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC000524481566 929631660 /nfs/dbraw/zinc/63/16/60/929631660.db2.gz BGSNLVSVJNOJKK-DBXWQHBBSA-N 0 0 422.529 4.404 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H](c2ncccc2C)C(C)C)cc1[N+](=O)[O-] ZINC000524514674 929660536 /nfs/dbraw/zinc/66/05/36/929660536.db2.gz MURBSGFVLSCPCK-LJQANCHMSA-N 0 0 403.504 4.054 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(CCc3ccccn3)CC2)s1 ZINC000524547833 929678136 /nfs/dbraw/zinc/67/81/36/929678136.db2.gz PDSNOCLTFYRXNI-UHFFFAOYSA-N 0 0 408.527 4.079 20 5 HIBDRN Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000524555496 929683881 /nfs/dbraw/zinc/68/38/81/929683881.db2.gz DXGYKHDVBPGRDC-LJQANCHMSA-N 0 0 418.877 4.298 20 5 HIBDRN COC(=O)c1cc(NC(=O)C(C)(C)c2ccc(Br)cc2)cc([N+](=O)[O-])c1 ZINC000524568540 929692613 /nfs/dbraw/zinc/69/26/13/929692613.db2.gz XIOOYPLKWITFCG-UHFFFAOYSA-N 0 0 421.247 4.060 20 5 HIBDRN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000524606524 929716770 /nfs/dbraw/zinc/71/67/70/929716770.db2.gz OMEHLRPVYWPREC-UHFFFAOYSA-N 0 0 405.813 4.266 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000524616796 929726953 /nfs/dbraw/zinc/72/69/53/929726953.db2.gz YPOABZXHTDFXSH-CQSZACIVSA-N 0 0 423.498 4.309 20 5 HIBDRN CCCNC(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1 ZINC000524626255 929735024 /nfs/dbraw/zinc/73/50/24/929735024.db2.gz VHKDVKTXSOLDFZ-UHFFFAOYSA-N 0 0 424.482 4.419 20 5 HIBDRN CC(C)(C)[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(F)(F)F ZINC000524793118 929830648 /nfs/dbraw/zinc/83/06/48/929830648.db2.gz ZIQATESVSZRUEI-GFCCVEGCSA-N 0 0 402.291 4.243 20 5 HIBDRN Cc1ccc(NCCCNC(=O)Nc2ccc(COC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000524832434 929850666 /nfs/dbraw/zinc/85/06/66/929850666.db2.gz QHWNPQOELCIQAT-UHFFFAOYSA-N 0 0 400.479 4.452 20 5 HIBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1cccc(C(=O)N[C@H](C)CC)c1 ZINC000524842271 929854433 /nfs/dbraw/zinc/85/44/33/929854433.db2.gz BJDVSAMHENXQDT-CYBMUJFWSA-N 0 0 417.437 4.051 20 5 HIBDRN O=C(Nc1nc2ccccc2n1C1CCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000524852096 929858728 /nfs/dbraw/zinc/85/87/28/929858728.db2.gz SPFAUMLSBIFSDX-UHFFFAOYSA-N 0 0 408.414 4.083 20 5 HIBDRN O=C(NCc1cc(F)ccc1N1CCOCC1)c1cc2ccccc2c2cccnc12 ZINC000524866525 929864665 /nfs/dbraw/zinc/86/46/65/929864665.db2.gz OWXKFJAHJXYZAP-UHFFFAOYSA-N 0 0 415.468 4.294 20 5 HIBDRN O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000524964951 929929068 /nfs/dbraw/zinc/92/90/68/929929068.db2.gz GQMKQQCUNMFGPA-INIZCTEOSA-N 0 0 424.766 4.467 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@H]2c2cccc(C)c2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000525073952 930019242 /nfs/dbraw/zinc/01/92/42/930019242.db2.gz RUVOVBWNMYYKBT-FQEVSTJZSA-N 0 0 405.458 4.078 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N[C@@H](CO)Cc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000525128354 930051402 /nfs/dbraw/zinc/05/14/02/930051402.db2.gz JDHWAQMZDAIGKM-LJQANCHMSA-N 0 0 415.449 4.323 20 5 HIBDRN CCCOc1ccc(Oc2ncccc2CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000525143576 930061804 /nfs/dbraw/zinc/06/18/04/930061804.db2.gz LISDPTLGBSBFAN-UHFFFAOYSA-N 0 0 421.453 4.430 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000525156313 930069753 /nfs/dbraw/zinc/06/97/53/930069753.db2.gz BSGOQVWIOYUPNO-IAGOWNOFSA-N 0 0 420.296 4.354 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000525355543 930192834 /nfs/dbraw/zinc/19/28/34/930192834.db2.gz WOUXFVFGXCKPHD-QFIPXVFZSA-N 0 0 404.470 4.401 20 5 HIBDRN COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)cc1[N+](=O)[O-] ZINC000525362577 930196863 /nfs/dbraw/zinc/19/68/63/930196863.db2.gz UZGBVCRLSOXOFG-FQEVSTJZSA-N 0 0 408.429 4.385 20 5 HIBDRN COc1ccc(C(=O)N[C@H](COCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000525362186 930196926 /nfs/dbraw/zinc/19/69/26/930196926.db2.gz JVHIYFCYUDRIRH-HXUWFJFHSA-N 0 0 406.438 4.291 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000525369356 930200593 /nfs/dbraw/zinc/20/05/93/930200593.db2.gz FFIBBTVCIVYACG-UHFFFAOYSA-N 0 0 408.789 4.046 20 5 HIBDRN COc1ccc(CC(=O)N[C@H](COCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000525380828 930208140 /nfs/dbraw/zinc/20/81/40/930208140.db2.gz ICCKSDOSEFZCFR-OAQYLSRUSA-N 0 0 420.465 4.220 20 5 HIBDRN COc1cc(CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c(SC)cc1OC ZINC000525466313 930257076 /nfs/dbraw/zinc/25/70/76/930257076.db2.gz SURGECOSEXSQEK-UHFFFAOYSA-N 0 0 415.471 4.087 20 5 HIBDRN COc1cc(C(=O)Nc2nc3c(ccc4c3CCCC4)s2)cc([N+](=O)[O-])c1OC ZINC000525499504 930286162 /nfs/dbraw/zinc/28/61/62/930286162.db2.gz MVSZJLLHRCMFEI-UHFFFAOYSA-N 0 0 413.455 4.353 20 5 HIBDRN COc1cc(C(=O)N(Cc2cccc(C)c2)Cc2ccccn2)cc([N+](=O)[O-])c1OC ZINC000525568386 930335101 /nfs/dbraw/zinc/33/51/01/930335101.db2.gz OHMWWTMIGBQJEZ-UHFFFAOYSA-N 0 0 421.453 4.158 20 5 HIBDRN CC[C@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000525593114 930351826 /nfs/dbraw/zinc/35/18/26/930351826.db2.gz OKKXQSBXACQNPI-KPZWWZAWSA-N 0 0 424.906 4.169 20 5 HIBDRN COc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000525598140 930354932 /nfs/dbraw/zinc/35/49/32/930354932.db2.gz VRODGYXBHBODET-KRWDZBQOSA-N 0 0 410.398 4.093 20 5 HIBDRN O=C(c1ccc(Br)cc1F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000525617995 930364497 /nfs/dbraw/zinc/36/44/97/930364497.db2.gz CUCDIQICSUFYDP-INIZCTEOSA-N 0 0 411.252 4.384 20 5 HIBDRN COc1ccc(OCCSc2nnc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 ZINC000525623554 930369051 /nfs/dbraw/zinc/36/90/51/930369051.db2.gz KTXHKHJUXWVKHV-UHFFFAOYSA-N 0 0 401.444 4.441 20 5 HIBDRN O=C(COc1ccc(Br)cc1[N+](=O)[O-])Nc1ccc(F)cc1Cl ZINC000525626734 930371250 /nfs/dbraw/zinc/37/12/50/930371250.db2.gz UCQSWVFFASMIRA-UHFFFAOYSA-N 0 0 403.591 4.167 20 5 HIBDRN O=C(Cc1ccn(-c2ccc(F)cc2)n1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000525651638 930383549 /nfs/dbraw/zinc/38/35/49/930383549.db2.gz ZBITZTHSWXQPNZ-UHFFFAOYSA-N 0 0 408.433 4.438 20 5 HIBDRN Cc1ccc(CCN(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 ZINC000525798491 930448825 /nfs/dbraw/zinc/44/88/25/930448825.db2.gz UQGRYHDSNGBPBL-UHFFFAOYSA-N 0 0 422.437 4.153 20 5 HIBDRN COc1ccc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c(OCc2ccccc2)c1 ZINC000525887304 930476484 /nfs/dbraw/zinc/47/64/84/930476484.db2.gz BIQAHBWSEFCMCZ-UHFFFAOYSA-N 0 0 422.437 4.372 20 5 HIBDRN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000526074766 930520852 /nfs/dbraw/zinc/52/08/52/930520852.db2.gz OWERGIQWHRTLMJ-INIZCTEOSA-N 0 0 405.458 4.299 20 5 HIBDRN CCOC(=O)[C@H]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000526091919 930527346 /nfs/dbraw/zinc/52/73/46/930527346.db2.gz CJAGDTIUWRRFBU-KDOFPFPSSA-N 0 0 414.483 4.159 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000526101112 930533653 /nfs/dbraw/zinc/53/36/53/930533653.db2.gz MTJLWHKSWXOJSA-UHFFFAOYSA-N 0 0 417.465 4.379 20 5 HIBDRN COc1c(Br)cc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000526972513 930560446 /nfs/dbraw/zinc/56/04/46/930560446.db2.gz ULWDPZDSTJAZEP-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000527265091 930622578 /nfs/dbraw/zinc/62/25/78/930622578.db2.gz DDKJQYRQYFTGAG-ZBYRNGAHSA-N 0 0 422.890 4.022 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000527335524 930636924 /nfs/dbraw/zinc/63/69/24/930636924.db2.gz SLGIBIMOCOURLT-UHFFFAOYSA-N 0 0 417.775 4.204 20 5 HIBDRN O=C(NCc1nc(-c2cccs2)c[nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000527463656 930661244 /nfs/dbraw/zinc/66/12/44/930661244.db2.gz FRJQVJAAZDQHDX-UHFFFAOYSA-N 0 0 411.468 4.100 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1-c1ccccc1 ZINC000527495243 930669121 /nfs/dbraw/zinc/66/91/21/930669121.db2.gz MIOHCJLFKREDKN-UHFFFAOYSA-N 0 0 409.829 4.170 20 5 HIBDRN C[C@@H](C(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000530316615 930682207 /nfs/dbraw/zinc/68/22/07/930682207.db2.gz VLUFZYASUXNCKY-QLJPJBMISA-N 0 0 416.783 4.220 20 5 HIBDRN CCOc1ccc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000530524765 930737774 /nfs/dbraw/zinc/73/77/74/930737774.db2.gz PUXLEHVINKFSAX-XHSDSOJGSA-N 0 0 400.479 4.175 20 5 HIBDRN COc1ccc(-c2csc(CNC(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)c2)cc1 ZINC000530604727 930768427 /nfs/dbraw/zinc/76/84/27/930768427.db2.gz SIOVZFPGDICOTG-UHFFFAOYSA-N 0 0 412.467 4.199 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000530603459 930768508 /nfs/dbraw/zinc/76/85/08/930768508.db2.gz ZBSPQSFZSAVXGU-UHFFFAOYSA-N 0 0 413.499 4.026 20 5 HIBDRN CN1C(=O)CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c2ccccc21 ZINC000530655027 930787641 /nfs/dbraw/zinc/78/76/41/930787641.db2.gz YVZYHVLMQWTYNI-UHFFFAOYSA-N 0 0 419.462 4.369 20 5 HIBDRN COc1cccc(C2=CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)c1 ZINC000530737634 930813035 /nfs/dbraw/zinc/81/30/35/930813035.db2.gz NNBOSHQGUMNNCM-UHFFFAOYSA-N 0 0 424.500 4.479 20 5 HIBDRN Cc1nn(C)c(C(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)c1[N+](=O)[O-] ZINC000530744127 930814830 /nfs/dbraw/zinc/81/48/30/930814830.db2.gz SSACAVOIWKOCGC-UHFFFAOYSA-N 0 0 411.289 4.038 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000530744177 930815079 /nfs/dbraw/zinc/81/50/79/930815079.db2.gz XICHBFOVTQJXAZ-QGZVFWFLSA-N 0 0 405.248 4.100 20 5 HIBDRN C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000530794133 930825312 /nfs/dbraw/zinc/82/53/12/930825312.db2.gz ZPNNXNCQGOSAGW-ZDUSSCGKSA-N 0 0 400.435 4.287 20 5 HIBDRN CCNc1ccc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1[N+](=O)[O-] ZINC000530861576 930842986 /nfs/dbraw/zinc/84/29/86/930842986.db2.gz MOXLEDVZVXLOHA-UHFFFAOYSA-N 0 0 409.486 4.379 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCC[C@H]1c1ccccn1 ZINC000530908661 930855894 /nfs/dbraw/zinc/85/58/94/930855894.db2.gz CFXWBSNYPZJVNT-IBGZPJMESA-N 0 0 424.482 4.132 20 5 HIBDRN Cc1c(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)nnn1-c1ccc(F)c(Cl)c1 ZINC000531019351 930887167 /nfs/dbraw/zinc/88/71/67/930887167.db2.gz AFTDMLSHJJHRIL-UHFFFAOYSA-N 0 0 403.801 4.146 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000531024641 930888465 /nfs/dbraw/zinc/88/84/65/930888465.db2.gz XHAZZINVYDEGQG-UHFFFAOYSA-N 0 0 411.845 4.030 20 5 HIBDRN O=C(NC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC000531094062 930917118 /nfs/dbraw/zinc/91/71/18/930917118.db2.gz RYZHYCRSALMZOI-UHFFFAOYSA-N 0 0 411.355 4.152 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCc4ccc(Cl)cc43)cc2)c(C)c1[N+](=O)[O-] ZINC000531209301 930967523 /nfs/dbraw/zinc/96/75/23/930967523.db2.gz KGKJMSJIZGFCKS-UHFFFAOYSA-N 0 0 410.861 4.313 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000531222065 930972480 /nfs/dbraw/zinc/97/24/80/930972480.db2.gz HLNKNTMFROXWOS-UHFFFAOYSA-N 0 0 401.316 4.339 20 5 HIBDRN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000531264174 930987971 /nfs/dbraw/zinc/98/79/71/930987971.db2.gz SXQOVHGPIYULBO-CJNGLKHVSA-N 0 0 403.276 4.304 20 5 HIBDRN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cc1[N+](=O)[O-] ZINC000531361497 931031841 /nfs/dbraw/zinc/03/18/41/931031841.db2.gz OMCYFCNHMIEGRS-LJQANCHMSA-N 0 0 422.485 4.440 20 5 HIBDRN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531626921 931132523 /nfs/dbraw/zinc/13/25/23/931132523.db2.gz CCHUAHCHRIYFGY-KRWDZBQOSA-N 0 0 405.454 4.272 20 5 HIBDRN CCCCOCCN(C(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000531634683 931133626 /nfs/dbraw/zinc/13/36/26/931133626.db2.gz PPZBEXDRZRNUME-UHFFFAOYSA-N 0 0 422.279 4.216 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N(CCc1cccc(F)c1)C1CCCC1 ZINC000531801344 931203529 /nfs/dbraw/zinc/20/35/29/931203529.db2.gz DLGFPKDSDHCOPG-UHFFFAOYSA-N 0 0 414.433 4.133 20 5 HIBDRN Cc1nnc([C@@H](C)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)o1 ZINC000532100764 931311726 /nfs/dbraw/zinc/31/17/26/931311726.db2.gz ZXPBISBGBMDDCU-SNVBAGLBSA-N 0 0 402.794 4.223 20 5 HIBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OCc1csc(-c2ncccn2)n1 ZINC000532103449 931313051 /nfs/dbraw/zinc/31/30/51/931313051.db2.gz IUMIYLNBEINCNK-UHFFFAOYSA-N 0 0 407.249 4.158 20 5 HIBDRN COC(=O)c1csc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000532113089 931317905 /nfs/dbraw/zinc/31/79/05/931317905.db2.gz GFJAACZHBLLUQN-UHFFFAOYSA-N 0 0 420.390 4.193 20 5 HIBDRN O=C(c1cc(N2CCC(Cc3ccccc3F)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000532288895 931385595 /nfs/dbraw/zinc/38/55/95/931385595.db2.gz LKXXMSJMGLUKRP-UHFFFAOYSA-N 0 0 411.477 4.429 20 5 HIBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000532357503 931406970 /nfs/dbraw/zinc/40/69/70/931406970.db2.gz NYZQPQUUMMXYNT-LLVKDONJSA-N 0 0 411.227 4.061 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3n[nH]c4c3cccc4Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000532527207 931475036 /nfs/dbraw/zinc/47/50/36/931475036.db2.gz XIXDKJOTVDWDBS-UHFFFAOYSA-N 0 0 424.848 4.238 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000532545529 931517371 /nfs/dbraw/zinc/51/73/71/931517371.db2.gz ITSRQNPUULNCQO-ORAYPTAESA-N 0 0 421.856 4.096 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000532561959 931523983 /nfs/dbraw/zinc/52/39/83/931523983.db2.gz OJEPIJITSRJDFY-UHFFFAOYSA-N 0 0 420.874 4.374 20 5 HIBDRN Cn1cc(C[C@@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2)cn1 ZINC000532622957 931557514 /nfs/dbraw/zinc/55/75/14/931557514.db2.gz XTCGODMTQCXJAA-INIZCTEOSA-N 0 0 422.510 4.184 20 5 HIBDRN Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000532718447 931607659 /nfs/dbraw/zinc/60/76/59/931607659.db2.gz GNWSWYGKTJPRJO-FQEVSTJZSA-N 0 0 408.458 4.075 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2csc(C3CCCCC3)n2)CC1 ZINC000532731333 931614932 /nfs/dbraw/zinc/61/49/32/931614932.db2.gz HXTWNIWYPMYCRT-UHFFFAOYSA-N 0 0 414.531 4.057 20 5 HIBDRN O=C(NCc1ccc2c(c1)COC2)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000532915488 931691728 /nfs/dbraw/zinc/69/17/28/931691728.db2.gz RODREESJEIXLEM-UHFFFAOYSA-N 0 0 403.438 4.167 20 5 HIBDRN COc1ccccc1CC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000532942995 931705587 /nfs/dbraw/zinc/70/55/87/931705587.db2.gz QFKHHTFBQITTNI-UHFFFAOYSA-N 0 0 408.458 4.108 20 5 HIBDRN C[C@H]1CO[C@H](c2ccccc2Cl)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532980022 931724907 /nfs/dbraw/zinc/72/49/07/931724907.db2.gz GHZQWYQSRGJZTB-SGTLLEGYSA-N 0 0 424.284 4.302 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)n1 ZINC000533006372 931732844 /nfs/dbraw/zinc/73/28/44/931732844.db2.gz SGQQTFYHMGAIEF-UHFFFAOYSA-N 0 0 404.470 4.131 20 5 HIBDRN O=C(CN1CCCC[C@@H]1c1cc2ccccc2[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533061972 931758558 /nfs/dbraw/zinc/75/85/58/931758558.db2.gz MAKUVANIHZZKOC-JOCHJYFZSA-N 0 0 404.470 4.192 20 5 HIBDRN COc1cc(CN2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000533078251 931765179 /nfs/dbraw/zinc/76/51/79/931765179.db2.gz LGFSHWJRYLVMKQ-INIZCTEOSA-N 0 0 407.417 4.281 20 5 HIBDRN O=C(CN(Cc1cccnc1)c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000533192992 931806134 /nfs/dbraw/zinc/80/61/34/931806134.db2.gz MSCKHWGILRWXMF-UHFFFAOYSA-N 0 0 416.481 4.188 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000533259356 931821390 /nfs/dbraw/zinc/82/13/90/931821390.db2.gz RVVRUACJIXHNKX-AWEZNQCLSA-N 0 0 413.499 4.445 20 5 HIBDRN Cc1cccc([C@@H]2CCCN2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000533346433 931843579 /nfs/dbraw/zinc/84/35/79/931843579.db2.gz COKKWUXOIWXZBR-IBGZPJMESA-N 0 0 423.498 4.197 20 5 HIBDRN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000533385334 931854631 /nfs/dbraw/zinc/85/46/31/931854631.db2.gz DGCRAXOTNJXXSC-JOCHJYFZSA-N 0 0 407.445 4.444 20 5 HIBDRN C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533395632 931857203 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/nfs/dbraw/zinc/17/17/83/945171783.db2.gz SISIWTCRYLSRKS-MWTRTKDXSA-N 0 0 407.470 4.880 20 5 HIBDRN CC(C)[C@@H]1C[C@H](NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCO1 ZINC000537919992 938413872 /nfs/dbraw/zinc/41/38/72/938413872.db2.gz CJXGNCWXICWKAS-XPIZARPCSA-N 0 0 412.490 4.096 20 5 HIBDRN COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000537932881 938420259 /nfs/dbraw/zinc/42/02/59/938420259.db2.gz AWGOBQGAOZYKSY-KBXCAEBGSA-N 0 0 401.463 4.161 20 5 HIBDRN CSc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000538051447 938484908 /nfs/dbraw/zinc/48/49/08/938484908.db2.gz HKHXJNTXJDEDGX-WMLDXEAASA-N 0 0 410.854 4.369 20 5 HIBDRN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000538166653 938532739 /nfs/dbraw/zinc/53/27/39/938532739.db2.gz CCGRWSWLGABFOI-CQSZACIVSA-N 0 0 409.417 4.476 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc(F)cc12)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000563343596 945184872 /nfs/dbraw/zinc/18/48/72/945184872.db2.gz IXRWCSCBZNIREV-UHFFFAOYSA-N 0 0 408.336 4.181 20 5 HIBDRN Cc1cccc(C)c1NC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000538196497 938549262 /nfs/dbraw/zinc/54/92/62/938549262.db2.gz KIALZZFAHXMYHT-UHFFFAOYSA-N 0 0 401.488 4.081 20 5 HIBDRN COc1cc2c(cc1OC)CN(C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)CC2 ZINC000538196829 938549859 /nfs/dbraw/zinc/54/98/59/938549859.db2.gz DCVWMZXYVQFTFN-UHFFFAOYSA-N 0 0 416.499 4.311 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(-c3ccc[nH]3)cc2)ccc1[N+](=O)[O-] ZINC000538219332 938561805 /nfs/dbraw/zinc/56/18/05/938561805.db2.gz AAKVIJTYPQHAKP-NRFANRHFSA-N 0 0 418.453 4.142 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(COCc3ccco3)c2)c1 ZINC000563458088 945186680 /nfs/dbraw/zinc/18/66/80/945186680.db2.gz DBAFWOPJCVQENF-UHFFFAOYSA-N 0 0 410.426 4.233 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)N(C)C ZINC000538250881 938574415 /nfs/dbraw/zinc/57/44/15/938574415.db2.gz WWDGXZWBAGCWBG-GOSISDBHSA-N 0 0 417.531 4.137 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000538290886 938584225 /nfs/dbraw/zinc/58/42/25/938584225.db2.gz PFNQJITVYSGUFN-XOBRGWDASA-N 0 0 401.438 4.158 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000538291890 938584569 /nfs/dbraw/zinc/58/45/69/938584569.db2.gz XEKMTMSTTGSFIR-OYYNGEPBSA-N 0 0 405.401 4.072 20 5 HIBDRN CCn1c2ccc(C)cc2nc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000538311551 938590028 /nfs/dbraw/zinc/59/00/28/938590028.db2.gz AOHYLPWCFFDLBV-UHFFFAOYSA-N 0 0 407.474 4.128 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000538368527 938605296 /nfs/dbraw/zinc/60/52/96/938605296.db2.gz CNFFDKSBFSWVQK-XOBRGWDASA-N 0 0 401.438 4.184 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000538387930 938608562 /nfs/dbraw/zinc/60/85/62/938608562.db2.gz TZRMWFRSRVSWHK-JXFKEZNVSA-N 0 0 403.438 4.259 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)Cc2ccccc2Br)c1 ZINC000538406858 938613367 /nfs/dbraw/zinc/61/33/67/938613367.db2.gz WTAIQAIUMOOJKP-UHFFFAOYSA-N 0 0 407.264 4.093 20 5 HIBDRN CCOc1cc(C(=O)N[C@H]2CCCOc3c(Cl)cccc32)c([N+](=O)[O-])cc1OC ZINC000538411273 938614276 /nfs/dbraw/zinc/61/42/76/938614276.db2.gz AMRZVCAZWVGXDG-HNNXBMFYSA-N 0 0 420.849 4.299 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)nn1-c1cccc(F)c1 ZINC000538434563 938619192 /nfs/dbraw/zinc/61/91/92/938619192.db2.gz PUIIDKJIMVHFFH-CYBMUJFWSA-N 0 0 400.435 4.347 20 5 HIBDRN CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000538458288 938627069 /nfs/dbraw/zinc/62/70/69/938627069.db2.gz CDFZWTKSADNHLE-UHFFFAOYSA-N 0 0 424.284 4.010 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1 ZINC000538463599 938628174 /nfs/dbraw/zinc/62/81/74/938628174.db2.gz AEULZBWDPYRYGK-UHFFFAOYSA-N 0 0 423.469 4.000 20 5 HIBDRN CCOc1cc(NC(=O)c2cc(C)n(-c3ccc(C)cc3)n2)c([N+](=O)[O-])cc1OCC ZINC000538499181 938636211 /nfs/dbraw/zinc/63/62/11/938636211.db2.gz ZFGISTOZMJEKNE-UHFFFAOYSA-N 0 0 424.457 4.447 20 5 HIBDRN Cc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)nn1[C@@H](C)C1CC1 ZINC000538536898 938644005 /nfs/dbraw/zinc/64/40/05/938644005.db2.gz FCZAAHCRHKELRB-ZDUSSCGKSA-N 0 0 410.396 4.275 20 5 HIBDRN COc1cc2c(cc1F)CN(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000538565404 938650929 /nfs/dbraw/zinc/65/09/29/938650929.db2.gz YSCHMWPHILEBEM-UHFFFAOYSA-N 0 0 413.430 4.065 20 5 HIBDRN C[C@@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000538581315 938654878 /nfs/dbraw/zinc/65/48/78/938654878.db2.gz NRZJBXSJLAQZOQ-AUUYWEPGSA-N 0 0 421.419 4.455 20 5 HIBDRN CCCc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000538596734 938658313 /nfs/dbraw/zinc/65/83/13/938658313.db2.gz PFIWULVRSBTWJY-ZIAGYGMSSA-N 0 0 410.396 4.355 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000538645945 938671782 /nfs/dbraw/zinc/67/17/82/938671782.db2.gz HXWZOYMDRKSLTM-CQSZACIVSA-N 0 0 417.897 4.434 20 5 HIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000538651389 938673097 /nfs/dbraw/zinc/67/30/97/938673097.db2.gz FWRAYPWRVKCIAS-CQSZACIVSA-N 0 0 411.849 4.053 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)on1 ZINC000538658067 938675731 /nfs/dbraw/zinc/67/57/31/938675731.db2.gz OTVCSEYPQFFKLF-UHFFFAOYSA-N 0 0 417.377 4.368 20 5 HIBDRN O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)N(Cc1ccco1)c1ccccc1 ZINC000538660560 938676739 /nfs/dbraw/zinc/67/67/39/938676739.db2.gz ZVTUCWZBDIHSLV-UHFFFAOYSA-N 0 0 402.410 4.285 20 5 HIBDRN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538694973 938685954 /nfs/dbraw/zinc/68/59/54/938685954.db2.gz UMTFXONJOZOIFL-SNVBAGLBSA-N 0 0 401.221 4.167 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCn3c(Cc4ccccc4)nnc3C2)o1 ZINC000538719473 938689975 /nfs/dbraw/zinc/68/99/75/938689975.db2.gz NJSBLXRGJGPSDZ-UHFFFAOYSA-N 0 0 415.453 4.053 20 5 HIBDRN COc1cc(CN2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538750460 938701676 /nfs/dbraw/zinc/70/16/76/938701676.db2.gz CPDMCVHPNSEJQM-DYVFJYSZSA-N 0 0 420.453 4.405 20 5 HIBDRN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000538796404 938714817 /nfs/dbraw/zinc/71/48/17/938714817.db2.gz FBBMSCADRSPUKX-JKSUJKDBSA-N 0 0 411.477 4.485 20 5 HIBDRN COC[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000538804839 938717371 /nfs/dbraw/zinc/71/73/71/938717371.db2.gz KEMYKVQINDCUJQ-AWEZNQCLSA-N 0 0 414.405 4.210 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000538844729 938724255 /nfs/dbraw/zinc/72/42/55/938724255.db2.gz LUQHVNVSCUQEII-UHFFFAOYSA-N 0 0 408.357 4.404 20 5 HIBDRN COCCn1ccc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc21 ZINC000538864526 938727699 /nfs/dbraw/zinc/72/76/99/938727699.db2.gz GWLBQYIOCGSEIK-ZDUSSCGKSA-N 0 0 417.849 4.255 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000538934415 938741101 /nfs/dbraw/zinc/74/11/01/938741101.db2.gz XDJXIUHGIGYJJV-QFYYESIMSA-N 0 0 400.328 4.259 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000538934069 938741231 /nfs/dbraw/zinc/74/12/31/938741231.db2.gz PFMRHSDIUZZPRW-PUAOIOHZSA-N 0 0 418.468 4.186 20 5 HIBDRN Cc1nnc(N(CCC(C)C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000539002901 938765707 /nfs/dbraw/zinc/76/57/07/938765707.db2.gz JFNYWKAYCGJSMK-UHFFFAOYSA-N 0 0 421.501 4.362 20 5 HIBDRN O=C(Nc1ccc(F)cc1OCC(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000539098730 938802639 /nfs/dbraw/zinc/80/26/39/938802639.db2.gz UEKTUCVIHAWMOC-UHFFFAOYSA-N 0 0 423.391 4.233 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)cc2N1 ZINC000539107248 938803965 /nfs/dbraw/zinc/80/39/65/938803965.db2.gz QSEVWWUQYGKSBM-KUHUBIRLSA-N 0 0 405.813 4.214 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])n2)cc1F ZINC000539229894 938822360 /nfs/dbraw/zinc/82/23/60/938822360.db2.gz WGNMUOIXUBMJCW-QWHCGFSZSA-N 0 0 413.409 4.214 20 5 HIBDRN C[C@H](NC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000539256510 938827934 /nfs/dbraw/zinc/82/79/34/938827934.db2.gz RNGDVIRTAQSREX-INIZCTEOSA-N 0 0 418.453 4.408 20 5 HIBDRN C[C@@H](NCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000539276175 938831729 /nfs/dbraw/zinc/83/17/29/938831729.db2.gz DQDYCANKQPPZAV-CYBMUJFWSA-N 0 0 414.462 4.071 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000539325661 938841745 /nfs/dbraw/zinc/84/17/45/938841745.db2.gz JCBGFYLZWKWEOQ-QWVSSGJLSA-N 0 0 406.529 4.324 20 5 HIBDRN COc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3C)C2)cc1 ZINC000563509383 945209577 /nfs/dbraw/zinc/20/95/77/945209577.db2.gz NVXOYMUMASHMOM-AWEZNQCLSA-N 0 0 419.275 4.304 20 5 HIBDRN C[C@@H](NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000539409344 938856516 /nfs/dbraw/zinc/85/65/16/938856516.db2.gz SDMWLLLJGYMAET-SECBINFHSA-N 0 0 402.300 4.289 20 5 HIBDRN Cc1cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n(Cc2ccccc2)n1 ZINC000539410465 938856722 /nfs/dbraw/zinc/85/67/22/938856722.db2.gz JMNNAVDTGPSPTR-UHFFFAOYSA-N 0 0 413.437 4.462 20 5 HIBDRN O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000539437167 938860125 /nfs/dbraw/zinc/86/01/25/938860125.db2.gz YKZSHTNVMLWSOI-OAHLLOKOSA-N 0 0 412.833 4.078 20 5 HIBDRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000539483271 938866899 /nfs/dbraw/zinc/86/68/99/938866899.db2.gz RGROISXQRMVQLJ-KRWDZBQOSA-N 0 0 422.872 4.319 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])n2)cc1 ZINC000539529850 938873997 /nfs/dbraw/zinc/87/39/97/938873997.db2.gz CQYZVLOSWJTPIL-OAHLLOKOSA-N 0 0 424.457 4.162 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000539587732 938884220 /nfs/dbraw/zinc/88/42/20/938884220.db2.gz FVKAOAQSOZSCOG-HSZRJFAPSA-N 0 0 405.454 4.281 20 5 HIBDRN Cc1cc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nn1-c1cccc(Cl)c1 ZINC000539637499 938892025 /nfs/dbraw/zinc/89/20/25/938892025.db2.gz YNVSFWRSLCKKRL-UHFFFAOYSA-N 0 0 410.821 4.404 20 5 HIBDRN Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000539647790 938893385 /nfs/dbraw/zinc/89/33/85/938893385.db2.gz JXRSQSKKWUYQGW-UHFFFAOYSA-N 0 0 415.405 4.265 20 5 HIBDRN CCn1c(=O)c2cc3ccccc3cc2nc1SCc1ncnn1-c1ccccc1 ZINC000539669681 938897823 /nfs/dbraw/zinc/89/78/23/938897823.db2.gz GIGAIIWNKYPWLJ-UHFFFAOYSA-N 0 0 413.506 4.443 20 5 HIBDRN O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1Br ZINC000539680459 938899511 /nfs/dbraw/zinc/89/95/11/938899511.db2.gz RFCTWUVUWSXKNE-OAHLLOKOSA-N 0 0 409.211 4.140 20 5 HIBDRN COc1ccc(CC(=O)N2CCCc3c(F)cc(Br)cc32)cc1[N+](=O)[O-] ZINC000539682214 938899989 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HIBDRN CC(C)(O)CN(Cc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000540538252 939295996 /nfs/dbraw/zinc/29/59/96/939295996.db2.gz UEXBMOYRNOUJDX-UHFFFAOYSA-N 0 0 411.483 4.132 20 5 HIBDRN Nc1c(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000540547252 939300862 /nfs/dbraw/zinc/30/08/62/939300862.db2.gz UWHLDEHUFQOIIU-CYBMUJFWSA-N 0 0 407.270 4.229 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(c3ncccc3Cl)CC2)c1 ZINC000540597121 939315478 /nfs/dbraw/zinc/31/54/78/939315478.db2.gz JVBMCFISTIPHQE-UHFFFAOYSA-N 0 0 403.866 4.127 20 5 HIBDRN CC(C)(C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000540615271 939320630 /nfs/dbraw/zinc/32/06/30/939320630.db2.gz DUPDHKSXQPRXNF-UHFFFAOYSA-N 0 0 415.343 4.185 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)cc1[N+](=O)[O-] ZINC000540615277 939320838 /nfs/dbraw/zinc/32/08/38/939320838.db2.gz FCCBLZQQDVNLRW-UHFFFAOYSA-N 0 0 419.356 4.243 20 5 HIBDRN O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CCc2ccc([N+](=O)[O-])cc21 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COc1ccc(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000541072157 939450194 /nfs/dbraw/zinc/45/01/94/939450194.db2.gz WNUSKDJVPRJXFD-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN Cc1cccc([C@@H]2CCCCN2C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000541094145 939457884 /nfs/dbraw/zinc/45/78/84/939457884.db2.gz MRHRUBNDLFNVGJ-NRFANRHFSA-N 0 0 409.486 4.004 20 5 HIBDRN CCN(CC)C(=O)CCC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000541108218 939463250 /nfs/dbraw/zinc/46/32/50/939463250.db2.gz VIGKWNURECXBRR-UHFFFAOYSA-N 0 0 412.328 4.222 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000541111709 939464037 /nfs/dbraw/zinc/46/40/37/939464037.db2.gz PLAQTVPXHFSMIJ-CYBMUJFWSA-N 0 0 423.269 4.230 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000541254426 939487793 /nfs/dbraw/zinc/48/77/93/939487793.db2.gz YFMCKDOSEDVDBX-LZNQSLFOSA-N 0 0 400.456 4.483 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000541264465 939488317 /nfs/dbraw/zinc/48/83/17/939488317.db2.gz FTXJMGMULPXNHL-UHFFFAOYSA-N 0 0 419.890 4.215 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Br)cn1 ZINC000541269135 939488532 /nfs/dbraw/zinc/48/85/32/939488532.db2.gz QIDQFILGRIBHRT-UHFFFAOYSA-N 0 0 402.657 4.137 20 5 HIBDRN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541272940 939488769 /nfs/dbraw/zinc/48/87/69/939488769.db2.gz XWABHWPCJMOUJU-ZDUSSCGKSA-N 0 0 416.421 4.080 20 5 HIBDRN CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000541284293 939489239 /nfs/dbraw/zinc/48/92/39/939489239.db2.gz AMHDHQDLGOQCPI-UHFFFAOYSA-N 0 0 416.684 4.161 20 5 HIBDRN Cc1c(Br)c(=O)n(CCOc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000541287532 939489475 /nfs/dbraw/zinc/48/94/75/939489475.db2.gz VYHMFZDHRLWPQX-UHFFFAOYSA-N 0 0 403.232 4.060 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(CN2CCCC2=O)cc1 ZINC000541295891 939489826 /nfs/dbraw/zinc/48/98/26/939489826.db2.gz KRQMXMQJMMZCQA-UHFFFAOYSA-N 0 0 419.890 4.101 20 5 HIBDRN Cc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000541300210 939490098 /nfs/dbraw/zinc/49/00/98/939490098.db2.gz INMMFYRGCLMGIS-LLVKDONJSA-N 0 0 407.268 4.394 20 5 HIBDRN CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ncccc1Br ZINC000541317330 939490604 /nfs/dbraw/zinc/49/06/04/939490604.db2.gz LMCYSFWVKHPKLD-UHFFFAOYSA-N 0 0 419.260 4.152 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000541315974 939490633 /nfs/dbraw/zinc/49/06/33/939490633.db2.gz PGGCSMFJCSHECG-IBGZPJMESA-N 0 0 415.446 4.393 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000541332290 939491294 /nfs/dbraw/zinc/49/12/94/939491294.db2.gz OHMNLXFZFJTVFK-MRXNPFEDSA-N 0 0 418.449 4.254 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000541454274 939521101 /nfs/dbraw/zinc/52/11/01/939521101.db2.gz OTVOIBPYRYUVOO-UHFFFAOYSA-N 0 0 417.425 4.264 20 5 HIBDRN CCCc1c(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cnn1-c1cccc(F)c1 ZINC000541506385 939538932 /nfs/dbraw/zinc/53/89/32/939538932.db2.gz XGFDKWZXUZKQFP-UHFFFAOYSA-N 0 0 423.448 4.462 20 5 HIBDRN Cn1cnc(-c2ccc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cc2)n1 ZINC000541545169 939549315 /nfs/dbraw/zinc/54/93/15/939549315.db2.gz KGQXRAYJRUUWKM-UHFFFAOYSA-N 0 0 414.425 4.386 20 5 HIBDRN CCc1ccc([C@H](NCc2nccn2CC(F)(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543904 939549688 /nfs/dbraw/zinc/54/96/88/939549688.db2.gz OHTUQZMFYSDIFF-GOSISDBHSA-N 0 0 408.380 4.388 20 5 HIBDRN Cc1c(Br)c(NCc2cn(C)nc2-c2ccccc2)ncc1[N+](=O)[O-] ZINC000541576058 939559077 /nfs/dbraw/zinc/55/90/77/939559077.db2.gz SDJUJAXUZSSEMX-UHFFFAOYSA-N 0 0 402.252 4.073 20 5 HIBDRN Cc1c(Br)c(N2CCC[C@H]2CC(=O)c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000541577135 939559089 /nfs/dbraw/zinc/55/90/89/939559089.db2.gz IMMOHSNHCWNAHF-AWEZNQCLSA-N 0 0 422.254 4.442 20 5 HIBDRN Cc1c(Br)c(N[C@H](C)c2noc(Cc3ccccc3)n2)ncc1[N+](=O)[O-] ZINC000541577181 939559232 /nfs/dbraw/zinc/55/92/32/939559232.db2.gz LQVPCLMAEWPRKU-LLVKDONJSA-N 0 0 418.251 4.208 20 5 HIBDRN CN(C)c1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000541580897 939559806 /nfs/dbraw/zinc/55/98/06/939559806.db2.gz CEVUIYGRJRKSEQ-NRFANRHFSA-N 0 0 408.483 4.097 20 5 HIBDRN C[C@@H](C(=O)N(C)Cc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000541583967 939560452 /nfs/dbraw/zinc/56/04/52/939560452.db2.gz VFQCQCLIMLGFQF-LLVKDONJSA-N 0 0 400.328 4.395 20 5 HIBDRN O=C(NC[C@H]1CCN(c2ccccc2)C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000541585485 939560749 /nfs/dbraw/zinc/56/07/49/939560749.db2.gz KVZRDYDGFDIJCD-CYBMUJFWSA-N 0 0 408.380 4.262 20 5 HIBDRN COc1cccc(N2CC[C@H](CNc3ncc([N+](=O)[O-])c(C)c3Br)C2)c1 ZINC000541591001 939561736 /nfs/dbraw/zinc/56/17/36/939561736.db2.gz JMIXNBJTMLBNPI-CYBMUJFWSA-N 0 0 421.295 4.008 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000541635337 939578341 /nfs/dbraw/zinc/57/83/41/939578341.db2.gz OMAUQNUIQZZBNN-MGPQQGTHSA-N 0 0 419.503 4.193 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCC[C@H]3c3cc[nH]n3)cc2[N+](=O)[O-])C1 ZINC000563705328 945259477 /nfs/dbraw/zinc/25/94/77/945259477.db2.gz BDBUIOYELRLHMT-FCEWJHQRSA-N 0 0 411.506 4.168 20 5 HIBDRN CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc2c1CCN2C(=O)COC ZINC000541740956 939618612 /nfs/dbraw/zinc/61/86/12/939618612.db2.gz MHFSFJYKAIOXLW-OAHLLOKOSA-N 0 0 415.515 4.113 20 5 HIBDRN C[C@H](C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc([N+](=O)[O-])cc1F ZINC000541748768 939619636 /nfs/dbraw/zinc/61/96/36/939619636.db2.gz VAEABYNSFDEXAG-DJJJIMSYSA-N 0 0 400.454 4.343 20 5 HIBDRN C[C@H]1N(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000541768572 939625881 /nfs/dbraw/zinc/62/58/81/939625881.db2.gz MGHQSLPRHUBMAD-QGZVFWFLSA-N 0 0 409.486 4.238 20 5 HIBDRN COc1ccc(C(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)cc1Br ZINC000541781839 939628271 /nfs/dbraw/zinc/62/82/71/939628271.db2.gz SSBGIYPYMMWMLI-UHFFFAOYSA-N 0 0 424.638 4.252 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000541810046 939639581 /nfs/dbraw/zinc/63/95/81/939639581.db2.gz JEACZLAUWYYLBO-WIYYLYMNSA-N 0 0 413.449 4.328 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1nc2ccccc2n1C1CC1 ZINC000541837300 939645275 /nfs/dbraw/zinc/64/52/75/939645275.db2.gz HIAMYRJEODJYIG-UHFFFAOYSA-N 0 0 407.474 4.102 20 5 HIBDRN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541929320 939656345 /nfs/dbraw/zinc/65/63/45/939656345.db2.gz LXRPGPJNBLEIQU-XJKSGUPXSA-N 0 0 412.776 4.110 20 5 HIBDRN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@H]2C ZINC000541931847 939657172 /nfs/dbraw/zinc/65/71/72/939657172.db2.gz NNAILYMKYQLCNX-STQMWFEESA-N 0 0 416.499 4.482 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(Cc1cccs1)CC(F)(F)F ZINC000541932656 939657195 /nfs/dbraw/zinc/65/71/95/939657195.db2.gz TXUAOJMXMIQFQX-UHFFFAOYSA-N 0 0 410.320 4.462 20 5 HIBDRN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541948738 939660057 /nfs/dbraw/zinc/66/00/57/939660057.db2.gz LGMNWHZOSCGFFN-NSHDSACASA-N 0 0 404.373 4.057 20 5 HIBDRN Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000541960069 939663025 /nfs/dbraw/zinc/66/30/25/939663025.db2.gz LOINONABPJOVKV-UHFFFAOYSA-N 0 0 402.357 4.251 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)COc2nc(C)cc(C)c2[N+](=O)[O-])c2cccs2)cc1 ZINC000541980856 939669283 /nfs/dbraw/zinc/66/92/83/939669283.db2.gz IDWGJKHVFQYUMG-LJQANCHMSA-N 0 0 411.483 4.261 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(c3c[nH]cn3)CC2)cc1OC ZINC000541983888 939670213 /nfs/dbraw/zinc/67/02/13/939670213.db2.gz KVAMHDHCCMYXEF-OAHLLOKOSA-N 0 0 402.495 4.131 20 5 HIBDRN COc1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000541995554 939673393 /nfs/dbraw/zinc/67/33/93/939673393.db2.gz YTFKJQLAEZHOOJ-UHFFFAOYSA-N 0 0 417.506 4.187 20 5 HIBDRN Cn1cc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(-c2ccccc2)n1 ZINC000542000647 939677094 /nfs/dbraw/zinc/67/70/94/939677094.db2.gz WIAAGONNBXMIHI-UHFFFAOYSA-N 0 0 419.466 4.049 20 5 HIBDRN COc1ccc(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1[N+](=O)[O-] ZINC000542029948 939692652 /nfs/dbraw/zinc/69/26/52/939692652.db2.gz DQRZWHZCUFSATL-UHFFFAOYSA-N 0 0 412.377 4.252 20 5 HIBDRN COc1ccc(NC(=O)NCc2ccc(OC3CCCC3)c(OC)c2)cc1[N+](=O)[O-] ZINC000542035121 939694128 /nfs/dbraw/zinc/69/41/28/939694128.db2.gz UHPTUWDNCGQLBY-UHFFFAOYSA-N 0 0 415.446 4.255 20 5 HIBDRN CC(C)(C)Oc1c(F)cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1F ZINC000542052982 939699810 /nfs/dbraw/zinc/69/98/10/939699810.db2.gz IOLBAAJPCJKJNW-UHFFFAOYSA-N 0 0 416.384 4.488 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1(c2cccc(F)c2)CCOCC1 ZINC000542059612 939701266 /nfs/dbraw/zinc/70/12/66/939701266.db2.gz UXFFVBGYFTYDDV-UHFFFAOYSA-N 0 0 412.339 4.440 20 5 HIBDRN Cc1ccc(C2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)cn1 ZINC000542160213 939737379 /nfs/dbraw/zinc/73/73/79/939737379.db2.gz NBFPLJPJVVOIPG-CQSZACIVSA-N 0 0 403.866 4.125 20 5 HIBDRN Cc1sc2nc(C)nc(SC[C@@H](O)COc3ccccc3[N+](=O)[O-])c2c1C ZINC000542189649 939750410 /nfs/dbraw/zinc/75/04/10/939750410.db2.gz RGRNVQFIYUPPOX-ZDUSSCGKSA-N 0 0 405.501 4.057 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(OCC2CCOCC2)cc1 ZINC000542191632 939750749 /nfs/dbraw/zinc/75/07/49/939750749.db2.gz XRQABUVURMAJRR-UHFFFAOYSA-N 0 0 402.472 4.131 20 5 HIBDRN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000542201037 939753980 /nfs/dbraw/zinc/75/39/80/939753980.db2.gz MEIMEUDZSPNETK-HOTGVXAUSA-N 0 0 406.891 4.411 20 5 HIBDRN COc1ccc([C@@H](NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000542213918 939759848 /nfs/dbraw/zinc/75/98/48/939759848.db2.gz DOHSRGFKDJWXSP-IBGZPJMESA-N 0 0 424.375 4.269 20 5 HIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCCc1ccccc1Br ZINC000542219802 939762195 /nfs/dbraw/zinc/76/21/95/939762195.db2.gz VQHZVHMSAPWQCK-UHFFFAOYSA-N 0 0 414.259 4.214 20 5 HIBDRN O=[N+]([O-])c1cc(COc2c(F)cc(F)cc2Br)c2c(c1)COCO2 ZINC000542220987 939762889 /nfs/dbraw/zinc/76/28/89/939762889.db2.gz YZNWLXKJVWJLOW-UHFFFAOYSA-N 0 0 402.147 4.081 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000563730453 945269923 /nfs/dbraw/zinc/26/99/23/945269923.db2.gz HROSFGPRVWZTRL-YADHBBJMSA-N 0 0 411.502 4.330 20 5 HIBDRN CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@H](C)c1ccccc1OC ZINC000542245925 939771673 /nfs/dbraw/zinc/77/16/73/939771673.db2.gz VLLIHCONXBOUKN-OAHLLOKOSA-N 0 0 401.463 4.295 20 5 HIBDRN COc1cccc([C@H]2C[C@@H](C)CN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000542255258 939774118 /nfs/dbraw/zinc/77/41/18/939774118.db2.gz QSKYZLWSLABHOA-BFUOFWGJSA-N 0 0 403.866 4.278 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl ZINC000542262746 939776674 /nfs/dbraw/zinc/77/66/74/939776674.db2.gz JKKQFODRCLRWAM-UHFFFAOYSA-N 0 0 419.865 4.171 20 5 HIBDRN O=C(CN1CCC[C@@H]1c1ccc(Br)s1)Nc1ccccc1[N+](=O)[O-] ZINC000542318400 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O=[N+]([O-])c1ccc(SCc2nc(Cc3cc(Cl)c4c(c3)OCCO4)no2)cc1 ZINC000546298723 940770084 /nfs/dbraw/zinc/77/00/84/940770084.db2.gz QJWRCSPLAMMQSF-UHFFFAOYSA-N 0 0 419.846 4.286 20 5 HIBDRN COc1ccc(Br)cc1-c1noc(-c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000546340706 940793681 /nfs/dbraw/zinc/79/36/81/940793681.db2.gz YPMDXBXLHDMUGP-UHFFFAOYSA-N 0 0 406.192 4.092 20 5 HIBDRN COc1ccc(COc2ccc(-c3noc(Cc4cccc([N+](=O)[O-])c4)n3)cn2)cc1 ZINC000546358334 940801223 /nfs/dbraw/zinc/80/12/23/940801223.db2.gz RKFVFDXFBUWZSS-UHFFFAOYSA-N 0 0 418.409 4.218 20 5 HIBDRN Cc1nn(CCC(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000564013871 945349694 /nfs/dbraw/zinc/34/96/94/945349694.db2.gz IWWLAQDSROWOJL-UHFFFAOYSA-N 0 0 410.396 4.260 20 5 HIBDRN COc1ccc(COCc2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000546387036 940807643 /nfs/dbraw/zinc/80/76/43/940807643.db2.gz NYYXRCVJHJHJSV-GFCCVEGCSA-N 0 0 419.821 4.497 20 5 HIBDRN Cc1cc(C)cc(-c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)c1 ZINC000546393470 940809524 /nfs/dbraw/zinc/80/95/24/940809524.db2.gz FEKPTONUBADSRD-UHFFFAOYSA-N 0 0 408.443 4.208 20 5 HIBDRN O=C1C[C@@H](c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)CN1c1ccccc1 ZINC000546426792 940817622 /nfs/dbraw/zinc/81/76/22/940817622.db2.gz RAQFRQPUBOWSDY-GFCCVEGCSA-N 0 0 418.331 4.184 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(Cc3cc(F)ccc3F)n2)c(Br)c1 ZINC000546444874 940821430 /nfs/dbraw/zinc/82/14/30/940821430.db2.gz ABOMJJVNRJGLEF-UHFFFAOYSA-N 0 0 410.174 4.200 20 5 HIBDRN COc1cccc(CCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 ZINC000546445418 940821845 /nfs/dbraw/zinc/82/18/45/940821845.db2.gz NPLJXBMENMTVAY-UHFFFAOYSA-N 0 0 418.247 4.125 20 5 HIBDRN COCCOc1ccc(-c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)cc1F ZINC000546447245 940822178 /nfs/dbraw/zinc/82/21/78/940822178.db2.gz VNPWWBCQIOQNMO-UHFFFAOYSA-N 0 0 407.785 4.053 20 5 HIBDRN Cc1cncc(/C=C\c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 ZINC000546449364 940822710 /nfs/dbraw/zinc/82/27/10/940822710.db2.gz GOVTXTHHUYZTPT-DJWKRKHSSA-N 0 0 401.220 4.205 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(COc3ccccc3F)n2)c(Br)c1 ZINC000546449665 940822759 /nfs/dbraw/zinc/82/27/59/940822759.db2.gz QWSOUBOCLORXKB-UHFFFAOYSA-N 0 0 408.183 4.049 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2cc(C(F)(F)F)ccc2-n2cncn2)no1 ZINC000546452400 940823702 /nfs/dbraw/zinc/82/37/02/940823702.db2.gz REPCTSZOQZXPSO-UHFFFAOYSA-N 0 0 416.319 4.220 20 5 HIBDRN CCN(CCc1noc(/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1)C(C)=O ZINC000546460411 940825693 /nfs/dbraw/zinc/82/56/93/940825693.db2.gz BYUNTRQBEHLTDR-LUAWRHEFSA-N 0 0 412.471 4.288 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(Cc2c[nH]c3ccc(F)cc23)no1 ZINC000546461564 940826080 /nfs/dbraw/zinc/82/60/80/940826080.db2.gz XRFYJLKYAJOVIX-UHFFFAOYSA-N 0 0 416.796 4.464 20 5 HIBDRN Cc1ccc(/C=C\c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cn1 ZINC000546467320 940827714 /nfs/dbraw/zinc/82/77/14/940827714.db2.gz MSEBWDBZDCKCNZ-DAXSKMNVSA-N 0 0 401.220 4.205 20 5 HIBDRN COc1cc(Cc2noc(CCCc3nc4ccccc4s3)n2)ccc1[N+](=O)[O-] ZINC000546467582 940827855 /nfs/dbraw/zinc/82/78/55/940827855.db2.gz IBPYLIRVAOQTBU-UHFFFAOYSA-N 0 0 410.455 4.362 20 5 HIBDRN CO[C@@H](c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1)c1cccc(Cl)c1 ZINC000546476711 940830628 /nfs/dbraw/zinc/83/06/28/940830628.db2.gz ALTZQYRKJWEKED-QGZVFWFLSA-N 0 0 411.805 4.220 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(Cc4ccccc4OC(F)F)n3)c2c1 ZINC000546489873 940834550 /nfs/dbraw/zinc/83/45/50/940834550.db2.gz JDDNPGMCGNOMBA-UHFFFAOYSA-N 0 0 400.341 4.242 20 5 HIBDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 ZINC000546490885 940834855 /nfs/dbraw/zinc/83/48/55/940834855.db2.gz RRKILUXCDYQVGU-SJKOYZFVSA-N 0 0 417.425 4.311 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3cnn(-c4ccc(Cl)cc4Cl)c3)n2)nc1 ZINC000546490823 940834896 /nfs/dbraw/zinc/83/48/96/940834896.db2.gz OUABARMKQDKEQQ-UHFFFAOYSA-N 0 0 417.212 4.123 20 5 HIBDRN CSc1cccc(C(=O)NCCc2cnc(SC3CCCC3)nc2)c1[N+](=O)[O-] ZINC000564019695 945352440 /nfs/dbraw/zinc/35/24/40/945352440.db2.gz 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CC(C)CCc1nc(CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)cs1 ZINC000546527708 940844416 /nfs/dbraw/zinc/84/44/16/940844416.db2.gz WSFOJRXFGOHSAH-UHFFFAOYSA-N 0 0 404.517 4.179 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2Cc3ccccc3CO2)cc1[N+](=O)[O-])c1ccccn1 ZINC000564023610 945353937 /nfs/dbraw/zinc/35/39/37/945353937.db2.gz LGCJSUSKLDLGOF-OAHLLOKOSA-N 0 0 404.426 4.251 20 5 HIBDRN CC(C)(C(=O)NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000546539513 940847333 /nfs/dbraw/zinc/84/73/33/940847333.db2.gz YZPALNXMVGMRLC-UHFFFAOYSA-N 0 0 418.812 4.031 20 5 HIBDRN CCn1cc(Br)cc1-c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000546558603 940852547 /nfs/dbraw/zinc/85/25/47/940852547.db2.gz BILIOTMNCJRPDP-UHFFFAOYSA-N 0 0 416.235 4.301 20 5 HIBDRN CC(=O)N(c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1)[C@@H]1C[C@H]1C ZINC000564025473 945354499 /nfs/dbraw/zinc/35/44/99/945354499.db2.gz OEELFBGUPYZSMI-QVKFZJNVSA-N 0 0 422.485 4.209 20 5 HIBDRN Cc1nnc(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)s1 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ZINC000548423706 941102507 /nfs/dbraw/zinc/10/25/07/941102507.db2.gz AXPHQWYRLKCHCJ-INIZCTEOSA-N 0 0 421.453 4.459 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000548722654 941121348 /nfs/dbraw/zinc/12/13/48/941121348.db2.gz MRLLDFOJIOBZIO-UHFFFAOYSA-N 0 0 403.398 4.162 20 5 HIBDRN COc1ccc(CC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000548744352 941122398 /nfs/dbraw/zinc/12/23/98/941122398.db2.gz ZXUXQUFZEQYDAO-UHFFFAOYSA-N 0 0 414.458 4.059 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000548960425 941134458 /nfs/dbraw/zinc/13/44/58/941134458.db2.gz FTKNLFUGVFIIRT-FQEVSTJZSA-N 0 0 417.893 4.214 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCOCc2ccc(Cl)cc2Cl)c1 ZINC000549006712 941142142 /nfs/dbraw/zinc/14/21/42/941142142.db2.gz KQQKRVHEUFXZPG-UHFFFAOYSA-N 0 0 413.257 4.247 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2(c3cccc(Br)c3)CC2)c1 ZINC000549008928 941142737 /nfs/dbraw/zinc/14/27/37/941142737.db2.gz 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/nfs/dbraw/zinc/48/37/58/941483758.db2.gz VMDNAOUDWWVRGQ-UHFFFAOYSA-N 0 0 409.486 4.067 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccc4ccn(C)c(=O)c4c3)o2)c([N+](=O)[O-])c1 ZINC000551581904 941506956 /nfs/dbraw/zinc/50/69/56/941506956.db2.gz RMWKVHOQKVGZFY-UHFFFAOYSA-N 0 0 405.410 4.327 20 5 HIBDRN COc1ccc(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000551602077 941510125 /nfs/dbraw/zinc/51/01/25/941510125.db2.gz GSBDHEHBSIBQQT-UHFFFAOYSA-N 0 0 403.438 4.418 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000551605139 941510555 /nfs/dbraw/zinc/51/05/55/941510555.db2.gz URZVOYPZACYTRG-CYBMUJFWSA-N 0 0 407.879 4.004 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000551630924 941515519 /nfs/dbraw/zinc/51/55/19/941515519.db2.gz JSYMXVMDXYJMNH-UHFFFAOYSA-N 0 0 421.276 4.380 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cnc(OCC2CC2)cn1 ZINC000551656773 941520174 /nfs/dbraw/zinc/52/01/74/941520174.db2.gz VWSTYVDFIGSRJN-UHFFFAOYSA-N 0 0 420.425 4.005 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1S(C)(=O)=O ZINC000551670230 941522969 /nfs/dbraw/zinc/52/29/69/941522969.db2.gz VFYWYJYEGSZZSR-UHFFFAOYSA-N 0 0 404.488 4.111 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccc(Br)cc2C1 ZINC000551677581 941524895 /nfs/dbraw/zinc/52/48/95/941524895.db2.gz WNMUKVRRXXCPHW-UHFFFAOYSA-N 0 0 409.667 4.138 20 5 HIBDRN CSCc1cccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000551751743 941538652 /nfs/dbraw/zinc/53/86/52/941538652.db2.gz KQYTWGSEYMKVSP-UHFFFAOYSA-N 0 0 401.488 4.333 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000551847878 941557444 /nfs/dbraw/zinc/55/74/44/941557444.db2.gz OBQFWHWCAZTZAK-AWEZNQCLSA-N 0 0 408.458 4.362 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000551972783 941564546 /nfs/dbraw/zinc/56/45/46/941564546.db2.gz NOKUFCCOLPBYDO-GOEBONIOSA-N 0 0 403.276 4.307 20 5 HIBDRN Cn1ccnc1[C@H](NCc1nc2cc(Cl)ccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000552049325 941573688 /nfs/dbraw/zinc/57/36/88/941573688.db2.gz TWCINBTZRPLDLI-GOSISDBHSA-N 0 0 413.890 4.471 20 5 HIBDRN Cn1ccnc1[C@H](N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000552066555 941578469 /nfs/dbraw/zinc/57/84/69/941578469.db2.gz NTHQXBZOAGUXSL-BHIFYINESA-N 0 0 420.513 4.391 20 5 HIBDRN Cn1ccnc1[C@H](NC[C@@H](c1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552066346 941578607 /nfs/dbraw/zinc/57/86/07/941578607.db2.gz GHXWDUBVPDUJOZ-ZWKOTPCHSA-N 0 0 404.392 4.353 20 5 HIBDRN Cn1ccnc1[C@@H](NCCn1ccc2cc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000552090665 941583194 /nfs/dbraw/zinc/58/31/94/941583194.db2.gz QHPGZRRJFXKASC-FQEVSTJZSA-N 0 0 409.877 4.316 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1(Cc2ccccc2Br)CC1 ZINC000552106765 941586160 /nfs/dbraw/zinc/58/61/60/941586160.db2.gz PHLPJQUFDGMAGK-UHFFFAOYSA-N 0 0 417.303 4.381 20 5 HIBDRN CC(C)(C(=O)NC[C@@H](NCc1ccccc1)c1ccco1)c1ccccc1[N+](=O)[O-] ZINC000552110484 941587013 /nfs/dbraw/zinc/58/70/13/941587013.db2.gz POGFJRQEAHKYEU-LJQANCHMSA-N 0 0 407.470 4.113 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1ncc2n1CCCC2 ZINC000552213158 941604949 /nfs/dbraw/zinc/60/49/49/941604949.db2.gz GQCPOBALOMQPRP-UHFFFAOYSA-N 0 0 405.458 4.235 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cscc1Br ZINC000552223980 941607828 /nfs/dbraw/zinc/60/78/28/941607828.db2.gz ZLHUPLNZASXPIQ-UHFFFAOYSA-N 0 0 409.183 4.368 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000552224564 941608588 /nfs/dbraw/zinc/60/85/88/941608588.db2.gz ZYLRNRMCAYGBKZ-KRWDZBQOSA-N 0 0 408.355 4.365 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000552267889 941617650 /nfs/dbraw/zinc/61/76/50/941617650.db2.gz OPOPIMMZEMBETL-NRFANRHFSA-N 0 0 404.413 4.371 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000552271843 941619873 /nfs/dbraw/zinc/61/98/73/941619873.db2.gz VJNDEYDSBACAKG-BPAFIMBUSA-N 0 0 424.497 4.122 20 5 HIBDRN C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000552276010 941620451 /nfs/dbraw/zinc/62/04/51/941620451.db2.gz HWUFEFDSUGDSTI-LIRRHRJNSA-N 0 0 400.866 4.128 20 5 HIBDRN C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ncc(Br)cn1 ZINC000552312098 941629717 /nfs/dbraw/zinc/62/97/17/941629717.db2.gz QHEIAQQUPWRZPP-SNVBAGLBSA-N 0 0 420.292 4.122 20 5 HIBDRN Cc1ccc(Br)c(C)c1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000552315705 941629966 /nfs/dbraw/zinc/62/99/66/941629966.db2.gz LHALSCMVGNQZIS-UHFFFAOYSA-N 0 0 416.275 4.428 20 5 HIBDRN COc1cc(CN2C[C@H](CO)c3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552315552 941630370 /nfs/dbraw/zinc/63/03/70/941630370.db2.gz SWFZASJCNRATDH-LJQANCHMSA-N 0 0 420.465 4.279 20 5 HIBDRN CC(C)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)cc1 ZINC000552382016 941651157 /nfs/dbraw/zinc/65/11/57/941651157.db2.gz RJRPZVNWWKCFAP-INIZCTEOSA-N 0 0 404.850 4.189 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(-c2cccc(F)c2)no1 ZINC000552395424 941656358 /nfs/dbraw/zinc/65/63/58/941656358.db2.gz HNFPOTYBWRVJRJ-UHFFFAOYSA-N 0 0 406.167 4.404 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000552470959 941680414 /nfs/dbraw/zinc/68/04/14/941680414.db2.gz GDCFEYCFVTUDHJ-AWEZNQCLSA-N 0 0 418.515 4.177 20 5 HIBDRN CCC1(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCOCC1 ZINC000552578696 941711534 /nfs/dbraw/zinc/71/15/34/941711534.db2.gz SMJHWIWMFCGBIB-MRXNPFEDSA-N 0 0 412.490 4.100 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)cc(Br)c1F ZINC000552712074 941743156 /nfs/dbraw/zinc/74/31/56/941743156.db2.gz IHCOZVSIBHWTNS-UHFFFAOYSA-N 0 0 415.646 4.465 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000552739674 941749621 /nfs/dbraw/zinc/74/96/21/941749621.db2.gz BFLNLBKFFZUDQU-UHFFFAOYSA-N 0 0 402.248 4.153 20 5 HIBDRN O=C(Nc1ncc(-c2ccccn2)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000552772427 941758190 /nfs/dbraw/zinc/75/81/90/941758190.db2.gz CCVURYIFTFZKKZ-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN COc1cc(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c([N+](=O)[O-])cc1OC ZINC000552793749 941765121 /nfs/dbraw/zinc/76/51/21/941765121.db2.gz ALPUSOCUXNCAFA-FQEVSTJZSA-N 0 0 420.412 4.314 20 5 HIBDRN O=C(NC1(CCO)CCCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000552824320 941778600 /nfs/dbraw/zinc/77/86/00/941778600.db2.gz FGUACBMYBRKCCE-UHFFFAOYSA-N 0 0 404.850 4.466 20 5 HIBDRN O=C(Nc1cccc(CNc2ncnc3sc([N+](=O)[O-])cc32)c1)c1ccccc1 ZINC000552937950 941805402 /nfs/dbraw/zinc/80/54/02/941805402.db2.gz UVDXBYSIMDMJQG-UHFFFAOYSA-N 0 0 405.439 4.464 20 5 HIBDRN O=C(Nc1nc2c(s1)CSCC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000552966358 941809668 /nfs/dbraw/zinc/80/96/68/941809668.db2.gz YCHJREBQGQTBEA-UHFFFAOYSA-N 0 0 404.498 4.216 20 5 HIBDRN O=C(NCc1c(F)cccc1N1CCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000553015346 941816537 /nfs/dbraw/zinc/81/65/37/941816537.db2.gz OHBQYNRHVODGLV-UHFFFAOYSA-N 0 0 420.444 4.326 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(Oc3ccccc3OC)cc2)n1 ZINC000553055656 941825336 /nfs/dbraw/zinc/82/53/36/941825336.db2.gz VCMRPZBECGVSKA-UHFFFAOYSA-N 0 0 409.398 4.189 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)c1ccccc1Br ZINC000553061294 941826395 /nfs/dbraw/zinc/82/63/95/941826395.db2.gz ZFTMOBDUOBMDNO-UHFFFAOYSA-N 0 0 405.292 4.336 20 5 HIBDRN CC(=O)c1cc(N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000553103693 941833651 /nfs/dbraw/zinc/83/36/51/941833651.db2.gz UGHBRXYFINIGPN-CQSZACIVSA-N 0 0 409.364 4.387 20 5 HIBDRN CC[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1cc(F)cc(Br)c1 ZINC000553208551 941849434 /nfs/dbraw/zinc/84/94/34/941849434.db2.gz NKMURLPQXRZYRC-CQSZACIVSA-N 0 0 421.226 4.708 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000553223309 941852425 /nfs/dbraw/zinc/85/24/25/941852425.db2.gz ZLNBMCKKFTYIOP-UYAOXDASSA-N 0 0 412.486 4.242 20 5 HIBDRN CCc1ccc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)C2)cc1 ZINC000553252798 941857113 /nfs/dbraw/zinc/85/71/13/941857113.db2.gz BVFOUVIDJNHAJO-SFHVURJKSA-N 0 0 414.527 4.261 20 5 HIBDRN COC(=O)c1cc(C)nc(N2CCC([C@H](F)c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000553268122 941859011 /nfs/dbraw/zinc/85/90/11/941859011.db2.gz YPSZHKUYRSEJSR-KRWDZBQOSA-N 0 0 405.401 4.151 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CC[C@H](c3nc(C4CC4)no3)C2)c([N+](=O)[O-])c1 ZINC000553274979 941859355 /nfs/dbraw/zinc/85/93/55/941859355.db2.gz OCCVKMGOAWQHIN-KRWDZBQOSA-N 0 0 404.426 4.080 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](COCc1ccccc1)c1ccccc1 ZINC000553313648 941865964 /nfs/dbraw/zinc/86/59/64/941865964.db2.gz UDCBTRDAZSYPGY-OAQYLSRUSA-N 0 0 419.481 4.389 20 5 HIBDRN CC(=O)c1cc(N[C@H]2CCN(c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000553370181 941874430 /nfs/dbraw/zinc/87/44/30/941874430.db2.gz OFPWYGRKIITPOB-HNNXBMFYSA-N 0 0 404.264 4.251 20 5 HIBDRN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553378867 941876111 /nfs/dbraw/zinc/87/61/11/941876111.db2.gz BQOWQMFDAXHVFH-UGSOOPFHSA-N 0 0 408.376 4.145 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000553380441 941876637 /nfs/dbraw/zinc/87/66/37/941876637.db2.gz HNLVQAUUJQFJGH-XIKOKIGWSA-N 0 0 424.375 4.224 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000553382801 941877384 /nfs/dbraw/zinc/87/73/84/941877384.db2.gz VQIBLSFZOIOHQY-KPZWWZAWSA-N 0 0 424.375 4.224 20 5 HIBDRN C[C@@H](NC(=O)NCc1cc(F)c(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000553470796 941890813 /nfs/dbraw/zinc/89/08/13/941890813.db2.gz RQPGUOPPLKRCSB-SECBINFHSA-N 0 0 414.206 4.196 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000553591518 941915241 /nfs/dbraw/zinc/91/52/41/941915241.db2.gz DZPNYPBNXPAKSS-HNNXBMFYSA-N 0 0 402.170 4.106 20 5 HIBDRN C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000553646120 941931953 /nfs/dbraw/zinc/93/19/53/941931953.db2.gz KPMMFZVPXPGYIW-LBPRGKRZSA-N 0 0 411.355 4.104 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1c(F)cccc1N1CCCC1 ZINC000553690448 941944774 /nfs/dbraw/zinc/94/47/74/941944774.db2.gz DDPFOSWBHYPEIF-UHFFFAOYSA-N 0 0 420.872 4.029 20 5 HIBDRN COc1cccc(OC(F)(F)F)c1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000553728582 941953825 /nfs/dbraw/zinc/95/38/25/941953825.db2.gz XAKZXRSHKFOPHA-UHFFFAOYSA-N 0 0 400.338 4.119 20 5 HIBDRN O=C(NCc1nccc(C(F)F)n1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000553779263 941966009 /nfs/dbraw/zinc/96/60/09/941966009.db2.gz UMYMZWLTKRYCEN-UHFFFAOYSA-N 0 0 416.409 4.404 20 5 HIBDRN CSC[C@H]1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000553934810 942002451 /nfs/dbraw/zinc/00/24/51/942002451.db2.gz LLRDOHRDTFHJKP-CVEARBPZSA-N 0 0 414.531 4.378 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000553943657 942004449 /nfs/dbraw/zinc/00/44/49/942004449.db2.gz JDEOLMPJXWJOFN-AWEZNQCLSA-N 0 0 409.408 4.429 20 5 HIBDRN Cc1noc(C)c1COc1ccc(CC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000554060374 942027523 /nfs/dbraw/zinc/02/75/23/942027523.db2.gz CKOCOHLLTPKSPV-UHFFFAOYSA-N 0 0 423.469 4.373 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](c2ccccc2)C1 ZINC000554410444 942131341 /nfs/dbraw/zinc/13/13/41/942131341.db2.gz WFIJOONEMXGSQU-INIZCTEOSA-N 0 0 403.276 4.306 20 5 HIBDRN O=C(Cc1ccccc1)N1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc21 ZINC000554629367 942179940 /nfs/dbraw/zinc/17/99/40/942179940.db2.gz WXHHOGVYEIPCEC-UHFFFAOYSA-N 0 0 419.412 4.118 20 5 HIBDRN CCc1cc(C2CC2)nc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000554745106 942218354 /nfs/dbraw/zinc/21/83/54/942218354.db2.gz BUCHBHWILZJMFI-UHFFFAOYSA-N 0 0 410.352 4.018 20 5 HIBDRN Cc1cccn(Cc2c(F)cccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1=O ZINC000554793562 942241562 /nfs/dbraw/zinc/24/15/62/942241562.db2.gz OOHUJYCVWSFLQY-UHFFFAOYSA-N 0 0 415.808 4.158 20 5 HIBDRN COc1ccc(-c2nc(Cc3noc([C@@H](C)c4cccc([N+](=O)[O-])c4)n3)co2)cc1 ZINC000554798223 942243531 /nfs/dbraw/zinc/24/35/31/942243531.db2.gz GWNUKQAEMATVAT-ZDUSSCGKSA-N 0 0 406.398 4.384 20 5 HIBDRN CC(C)(c1nc(C2(NC(=O)c3ccccc3)CCC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000554834096 942271871 /nfs/dbraw/zinc/27/18/71/942271871.db2.gz HJWRDRBDGIODGS-UHFFFAOYSA-N 0 0 424.432 4.252 20 5 HIBDRN CCOc1ccc(-c2nc([C@](C)(CC)NC(=O)c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000554845409 942283325 /nfs/dbraw/zinc/28/33/25/942283325.db2.gz PSSRAUNJWPWCCF-NRFANRHFSA-N 0 0 410.430 4.099 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@](F)(c4cccc(Cl)c4)C3)o2)cc1 ZINC000554855741 942291831 /nfs/dbraw/zinc/29/18/31/942291831.db2.gz IJPLINSHKBETFH-LJQANCHMSA-N 0 0 402.813 4.369 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000554859533 942294456 /nfs/dbraw/zinc/29/44/56/942294456.db2.gz NJSFKZFOYRYBEY-UHFFFAOYSA-N 0 0 417.372 4.289 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000554878769 942305744 /nfs/dbraw/zinc/30/57/44/942305744.db2.gz FEEMTBDXIJHRSI-UHFFFAOYSA-N 0 0 408.336 4.461 20 5 HIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000554912463 942316594 /nfs/dbraw/zinc/31/65/94/942316594.db2.gz IDKVTGQTJWGTBA-LJQANCHMSA-N 0 0 401.829 4.119 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000554960963 942334896 /nfs/dbraw/zinc/33/48/96/942334896.db2.gz DEIHIDCKWAOWHN-OXJNMPFZSA-N 0 0 402.422 4.125 20 5 HIBDRN C[C@H]1C[C@H]1c1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000554969834 942337500 /nfs/dbraw/zinc/33/75/00/942337500.db2.gz YMUQUYJPCIAXAH-ZUZCIYMTSA-N 0 0 412.227 4.206 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000554969999 942337858 /nfs/dbraw/zinc/33/78/58/942337858.db2.gz INYWIHOKKSVXAG-DAXSKMNVSA-N 0 0 419.403 4.085 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)c1 ZINC000555006941 942353182 /nfs/dbraw/zinc/35/31/82/942353182.db2.gz XBNAYNKHPFVCFF-UHFFFAOYSA-N 0 0 422.485 4.099 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)Cc3cccc(C)n3)cc2[N+](=O)[O-])n1 ZINC000555070207 942376224 /nfs/dbraw/zinc/37/62/24/942376224.db2.gz OKDKRJJHNWUIGG-UHFFFAOYSA-N 0 0 414.512 4.487 20 5 HIBDRN Cc1c(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])ccn1C(C)C ZINC000555118297 942390022 /nfs/dbraw/zinc/39/00/22/942390022.db2.gz ZYCSKTZGTYASBN-SFHVURJKSA-N 0 0 401.463 4.098 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)C[C@H](C)S1 ZINC000555179515 942419746 /nfs/dbraw/zinc/41/97/46/942419746.db2.gz RZVNFTJGMNOHSA-IYBDPMFKSA-N 0 0 409.515 4.232 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H](c1nccs1)c1ccccc1 ZINC000555181874 942420321 /nfs/dbraw/zinc/42/03/21/942420321.db2.gz LABXFCHVDICWHF-IBGZPJMESA-N 0 0 421.482 4.164 20 5 HIBDRN Cc1ccc([C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000555205807 942431626 /nfs/dbraw/zinc/43/16/26/942431626.db2.gz KYUJGSFSJONLCG-QFIPXVFZSA-N 0 0 404.470 4.272 20 5 HIBDRN CCc1cc(Sc2nc(C(=O)OC)cs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555252800 942447704 /nfs/dbraw/zinc/44/77/04/942447704.db2.gz RLSOTEHKECNMEI-UHFFFAOYSA-N 0 0 402.457 4.009 20 5 HIBDRN O=c1[nH]cnc2cc(NCCc3ccc(Br)cc3Cl)c([N+](=O)[O-])cc12 ZINC000555269186 942456079 /nfs/dbraw/zinc/45/60/79/942456079.db2.gz NWNOOKJODFJIQO-UHFFFAOYSA-N 0 0 423.654 4.314 20 5 HIBDRN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@]2(C1)OCc1ccccc12 ZINC000555389315 942509452 /nfs/dbraw/zinc/50/94/52/942509452.db2.gz NOBVSGMHARPGBR-QHCPKHFHSA-N 0 0 419.485 4.145 20 5 HIBDRN O=C(NC1CC(F)(c2cccc(Cl)c2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555434232 942532122 /nfs/dbraw/zinc/53/21/22/942532122.db2.gz CRDOHFPRRDXNAS-UHFFFAOYSA-N 0 0 403.841 4.343 20 5 HIBDRN CCn1ccnc1[C@H]1CCCCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000555461606 942562790 /nfs/dbraw/zinc/56/27/90/942562790.db2.gz OQAWRCBHWMBMSA-OAHLLOKOSA-N 0 0 424.448 4.191 20 5 HIBDRN CC(C)(C)[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)C1 ZINC000555486239 942588070 /nfs/dbraw/zinc/58/80/70/942588070.db2.gz DHXSFKYKLZSHGJ-WMZOPIPTSA-N 0 0 413.522 4.152 20 5 HIBDRN CC(=O)c1ccc(OC[C@@H](O)COc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000555565570 942645109 /nfs/dbraw/zinc/64/51/09/942645109.db2.gz DBBVCKXQNISCGV-FQEVSTJZSA-N 0 0 407.422 4.283 20 5 HIBDRN COc1cc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCCC(C)C ZINC000555722241 942712426 /nfs/dbraw/zinc/71/24/26/942712426.db2.gz OGQVXFKNIGAUCV-MRXNPFEDSA-N 0 0 400.475 4.448 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccnn1Cc1ccccc1 ZINC000555847639 942751936 /nfs/dbraw/zinc/75/19/36/942751936.db2.gz VPKCQSXVUUIRNP-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000555854972 942754705 /nfs/dbraw/zinc/75/47/05/942754705.db2.gz KFVIHGHUHBBSSE-KBXCAEBGSA-N 0 0 419.275 4.173 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1 ZINC000555854973 942755408 /nfs/dbraw/zinc/75/54/08/942755408.db2.gz KFVIHGHUHBBSSE-KDOFPFPSSA-N 0 0 419.275 4.173 20 5 HIBDRN Cc1nc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1Cc1ccccc1Cl ZINC000556219829 942820353 /nfs/dbraw/zinc/82/03/53/942820353.db2.gz FPARWSVQTAVVBR-UHFFFAOYSA-N 0 0 423.903 4.405 20 5 HIBDRN CC(C)c1cccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000556547897 942896123 /nfs/dbraw/zinc/89/61/23/942896123.db2.gz WHIYTEJSRLYKQT-UHFFFAOYSA-N 0 0 406.236 4.058 20 5 HIBDRN Cn1ccnc1[C@@H](NC[C@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000556891236 942954285 /nfs/dbraw/zinc/95/42/85/942954285.db2.gz COWNQBBRSYRKMT-MSOLQXFVSA-N 0 0 404.392 4.353 20 5 HIBDRN Cc1c(CC(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000557059850 943008655 /nfs/dbraw/zinc/00/86/55/943008655.db2.gz XQLOQZPBSGABBD-FQEVSTJZSA-N 0 0 402.878 4.383 20 5 HIBDRN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1OCCc2sccc21 ZINC000557075080 943013266 /nfs/dbraw/zinc/01/32/66/943013266.db2.gz ZCUDVVBELQARDI-MYYSRTQBSA-N 0 0 418.518 4.035 20 5 HIBDRN C[C@H]1COCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000557111237 943021958 /nfs/dbraw/zinc/02/19/58/943021958.db2.gz JGLDBOQLWXGTIK-DZGCQCFKSA-N 0 0 404.850 4.443 20 5 HIBDRN Cn1cc(Oc2ccccc2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000557159674 943034728 /nfs/dbraw/zinc/03/47/28/943034728.db2.gz MBPBDAIEISRXQW-UHFFFAOYSA-N 0 0 417.219 4.135 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(Oc3cccc4ccccc43)c2)n1 ZINC000557181295 943042298 /nfs/dbraw/zinc/04/22/98/943042298.db2.gz PJEHEIOBFBUATL-UHFFFAOYSA-N 0 0 402.410 4.204 20 5 HIBDRN COc1ccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000557438899 943126893 /nfs/dbraw/zinc/12/68/93/943126893.db2.gz VZGBVNBCXPFLRK-XIKOKIGWSA-N 0 0 424.375 4.224 20 5 HIBDRN CC(C)(C(=O)NC[C@@H](NCc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000557460099 943140477 /nfs/dbraw/zinc/14/04/77/943140477.db2.gz UKSDUAGYVKNNIH-HXUWFJFHSA-N 0 0 407.470 4.113 20 5 HIBDRN Cc1cc(N2CCCCCC2)ccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000557508026 943177510 /nfs/dbraw/zinc/17/75/10/943177510.db2.gz IBYXJIOWKWLXDB-UHFFFAOYSA-N 0 0 420.473 4.117 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc2c(s1)CSCC2 ZINC000557514646 943182588 /nfs/dbraw/zinc/18/25/88/943182588.db2.gz OPBSHGPJSXCQIA-UHFFFAOYSA-N 0 0 407.520 4.039 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000557562274 943211225 /nfs/dbraw/zinc/21/12/25/943211225.db2.gz ZRIIKCSUUGTREG-LWILDLIXSA-N 0 0 412.511 4.107 20 5 HIBDRN COc1cc(Br)c(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)cc1OC ZINC000557567822 943213163 /nfs/dbraw/zinc/21/31/63/943213163.db2.gz MLNLJCVJIUEOPV-UHFFFAOYSA-N 0 0 409.236 4.189 20 5 HIBDRN O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000557599824 943226430 /nfs/dbraw/zinc/22/64/30/943226430.db2.gz LJBNJCUPQSMIBM-CQSZACIVSA-N 0 0 408.241 4.236 20 5 HIBDRN CC(=O)c1cc(N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)ccc1[N+](=O)[O-] ZINC000557606034 943228119 /nfs/dbraw/zinc/22/81/19/943228119.db2.gz IIBLQAVWFHGBGD-FQEVSTJZSA-N 0 0 417.465 4.349 20 5 HIBDRN COc1ccc(Nc2ncnc3sc([N+](=O)[O-])cc32)cc1Oc1ccc(C)nn1 ZINC000557610878 943230874 /nfs/dbraw/zinc/23/08/74/943230874.db2.gz HUVMFCVHKDCDLB-UHFFFAOYSA-N 0 0 410.415 4.242 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(Sc3ccc(Cl)cc3)CC2)n1 ZINC000557639310 943244777 /nfs/dbraw/zinc/24/47/77/943244777.db2.gz DRWZMNZTZPDTAY-UHFFFAOYSA-N 0 0 407.879 4.191 20 5 HIBDRN O=C(CCCc1ccccc1)N[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000557681295 943257363 /nfs/dbraw/zinc/25/73/63/943257363.db2.gz DULUGHGOJRLPBG-HXUWFJFHSA-N 0 0 418.497 4.251 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCc1cc(F)c(F)cc1Br ZINC000557686500 943258217 /nfs/dbraw/zinc/25/82/17/943258217.db2.gz NSPFIWBXJQRYSL-UHFFFAOYSA-N 0 0 417.231 4.044 20 5 HIBDRN CC[C@H](Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000557695064 943261282 /nfs/dbraw/zinc/26/12/82/943261282.db2.gz TXWWHJFXJYCJHI-INIZCTEOSA-N 0 0 401.463 4.313 20 5 HIBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000557696902 943262391 /nfs/dbraw/zinc/26/23/91/943262391.db2.gz XTMPVIDRNXHUMU-XQRZMJPBSA-N 0 0 407.470 4.015 20 5 HIBDRN CC[C@H](C)n1nc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C ZINC000557700065 943262831 /nfs/dbraw/zinc/26/28/31/943262831.db2.gz PTPGFHRTGXOOAI-JTQLQIEISA-N 0 0 416.425 4.820 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000557741780 943276140 /nfs/dbraw/zinc/27/61/40/943276140.db2.gz SZFRQJZKKRJNMP-LJQANCHMSA-N 0 0 408.376 4.054 20 5 HIBDRN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000557779741 943289378 /nfs/dbraw/zinc/28/93/78/943289378.db2.gz VSIVBKMHYWSXLI-ZHALLVOQSA-N 0 0 400.500 4.154 20 5 HIBDRN O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000557826260 943305153 /nfs/dbraw/zinc/30/51/53/943305153.db2.gz DDZJXVHMDCUGQJ-UHFFFAOYSA-N 0 0 407.707 4.175 20 5 HIBDRN 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C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000561607972 944703701 /nfs/dbraw/zinc/70/37/01/944703701.db2.gz SBVHSGXLCRTIIO-SCLBCKFNSA-N 0 0 423.391 4.014 20 5 HIBDRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000561607967 944704235 /nfs/dbraw/zinc/70/42/35/944704235.db2.gz SBVHSGXLCRTIIO-ACJLOTCBSA-N 0 0 423.391 4.014 20 5 HIBDRN CC(C)[C@H](CO)CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000561691223 944749303 /nfs/dbraw/zinc/74/93/03/944749303.db2.gz OXPBKJFTXDXJSL-ZDUSSCGKSA-N 0 0 408.907 4.394 20 5 HIBDRN CCNc1ccc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000561845012 944818970 /nfs/dbraw/zinc/81/89/70/944818970.db2.gz UUQXSHPMAUDGIC-UHFFFAOYSA-N 0 0 423.517 4.479 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000561874604 944831317 /nfs/dbraw/zinc/83/13/17/944831317.db2.gz TUEODYASGRAAOC-RYUDHWBXSA-N 0 0 400.422 4.492 20 5 HIBDRN Cc1nc(CC2CC2)oc1-c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000561892096 944840628 /nfs/dbraw/zinc/84/06/28/944840628.db2.gz WVAUMDXRLIUIAS-UHFFFAOYSA-N 0 0 419.235 4.247 20 5 HIBDRN CSC[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000561907482 944850526 /nfs/dbraw/zinc/85/05/26/944850526.db2.gz INFFORKOGUVGDD-GFCCVEGCSA-N 0 0 402.466 4.175 20 5 HIBDRN CCc1ccc(NC(=O)Cc2noc([C@@H](CC)Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000561915114 944854504 /nfs/dbraw/zinc/85/45/04/944854504.db2.gz UJSXOMHQGJPKJT-KRWDZBQOSA-N 0 0 408.458 4.458 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccccc1)c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000561927057 944860721 /nfs/dbraw/zinc/86/07/21/944860721.db2.gz NQYFGXRIZPAKKA-SFHVURJKSA-N 0 0 408.458 4.431 20 5 HIBDRN COc1ccc([C@@H](C)N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1OC ZINC000561930439 944862641 /nfs/dbraw/zinc/86/26/41/944862641.db2.gz TWLYEYUXBWVUDZ-ZIAGYGMSSA-N 0 0 412.446 4.382 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(F)c(F)cc1Br ZINC000562028782 944902405 /nfs/dbraw/zinc/90/24/05/944902405.db2.gz GAYRCTKIAOQZNK-UHFFFAOYSA-N 0 0 400.179 4.266 20 5 HIBDRN CN(C)c1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000562083735 944928957 /nfs/dbraw/zinc/92/89/57/944928957.db2.gz CXWNKLWYTPMINW-UHFFFAOYSA-N 0 0 410.396 4.386 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000562109389 944945015 /nfs/dbraw/zinc/94/50/15/944945015.db2.gz DTLRZAFBWCIIDI-CQSZACIVSA-N 0 0 411.384 4.242 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000562122205 944954334 /nfs/dbraw/zinc/95/43/34/944954334.db2.gz QMBAVFGNQGQEOQ-LBPRGKRZSA-N 0 0 423.391 4.334 20 5 HIBDRN COc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(OC)c1C ZINC000562162510 944990081 /nfs/dbraw/zinc/99/00/81/944990081.db2.gz JMKIYTBLMYSLID-UHFFFAOYSA-N 0 0 402.450 4.119 20 5 HIBDRN NC(=O)c1ccnc(Nc2cccc(Oc3ccnc4ccccc43)c2)c1[N+](=O)[O-] ZINC000562234004 945035594 /nfs/dbraw/zinc/03/55/94/945035594.db2.gz KMHHHGUBJVGWNU-UHFFFAOYSA-N 0 0 401.382 4.173 20 5 HIBDRN Cc1n[nH]c(C(=O)NC2(c3nc(-c4ccccc4F)c(C)s3)CCC2)c1[N+](=O)[O-] ZINC000564095838 945377495 /nfs/dbraw/zinc/37/74/95/945377495.db2.gz ZJZVDGSFDOXAEA-UHFFFAOYSA-N 0 0 415.450 4.007 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)c1 ZINC000564102928 945378523 /nfs/dbraw/zinc/37/85/23/945378523.db2.gz BXRAFDPEZXWYSS-UHFFFAOYSA-N 0 0 404.426 4.161 20 5 HIBDRN CC(C)CN(C(=O)Cn1cc(Cl)cn1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000564148836 945400794 /nfs/dbraw/zinc/40/07/94/945400794.db2.gz UZBYQIRZDJTKNF-UHFFFAOYSA-N 0 0 419.894 4.257 20 5 HIBDRN COc1cc(CN2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000564312680 945511520 /nfs/dbraw/zinc/51/15/20/945511520.db2.gz IKWJAMIQSFDUOF-HNNXBMFYSA-N 0 0 411.380 4.277 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H](c4ccncc4)C3)cc2[N+](=O)[O-])C1 ZINC000564321563 945514029 /nfs/dbraw/zinc/51/40/29/945514029.db2.gz XYBQMQGHINBMMP-QKLQHJQFSA-N 0 0 408.502 4.102 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000564363092 945529839 /nfs/dbraw/zinc/52/98/39/945529839.db2.gz KXBLWSRXQNKLRW-OAHLLOKOSA-N 0 0 416.275 4.377 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000564546232 945669042 /nfs/dbraw/zinc/66/90/42/945669042.db2.gz UOHRKSMPPCSYQW-UHFFFAOYSA-N 0 0 422.416 4.305 20 5 HIBDRN O=C(CN1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1Cc1ccccc1 ZINC000564617158 945709919 /nfs/dbraw/zinc/70/99/19/945709919.db2.gz ZIUGFOIRJANQKW-UHFFFAOYSA-N 0 0 417.465 4.019 20 5 HIBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N(CCC(F)(F)F)Cc1ccccc1 ZINC000564776774 945757419 /nfs/dbraw/zinc/75/74/19/945757419.db2.gz KRVABQWGIOOYOK-UHFFFAOYSA-N 0 0 411.380 4.138 20 5 HIBDRN C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(OCC2CC2)c(F)c1 ZINC000564801817 945759062 /nfs/dbraw/zinc/75/90/62/945759062.db2.gz HWTXLJOLHSHJCH-LLVKDONJSA-N 0 0 408.376 4.221 20 5 HIBDRN CC(C)(CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])C(F)(F)F ZINC000565375447 945818512 /nfs/dbraw/zinc/81/85/12/945818512.db2.gz KGUXTQAKKQDXOR-UHFFFAOYSA-N 0 0 417.409 4.396 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2[nH]ccc2-c2c(Cl)cccc2Cl)n1 ZINC000565389909 945822975 /nfs/dbraw/zinc/82/29/75/945822975.db2.gz YBLUUVOPDSUTOK-UHFFFAOYSA-N 0 0 405.201 4.347 20 5 HIBDRN COc1ccc(CC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)cc1[N+](=O)[O-] ZINC000565402727 945826150 /nfs/dbraw/zinc/82/61/50/945826150.db2.gz AAWHFQXEQJQSJV-UHFFFAOYSA-N 0 0 415.352 4.250 20 5 HIBDRN Cc1cc(OCc2nc(-c3ccc(NC(=O)NC(C)C)cc3)no2)ccc1[N+](=O)[O-] ZINC000565505651 945841495 /nfs/dbraw/zinc/84/14/95/945841495.db2.gz UEDDUDCCCFCQNC-UHFFFAOYSA-N 0 0 411.418 4.062 20 5 HIBDRN C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc(Oc2cccnc2)cc1 ZINC000565736897 945875921 /nfs/dbraw/zinc/87/59/21/945875921.db2.gz KUTMWKWMVDMLOR-CYBMUJFWSA-N 0 0 407.382 4.002 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000565794291 945884149 /nfs/dbraw/zinc/88/41/49/945884149.db2.gz CPMHRFNXKWJUAK-UHFFFAOYSA-N 0 0 404.369 4.486 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](OCCCc2ccccc2)C1 ZINC000565839435 945892016 /nfs/dbraw/zinc/89/20/16/945892016.db2.gz JNJJWKIPTOGXJD-NRFANRHFSA-N 0 0 421.501 4.101 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC000565846297 945892061 /nfs/dbraw/zinc/89/20/61/945892061.db2.gz AATAOPAKSXJWBJ-SFHVURJKSA-N 0 0 413.865 4.105 20 5 HIBDRN COc1cc(OCC(=O)Nc2cc(Cl)ccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000565857401 945896428 /nfs/dbraw/zinc/89/64/28/945896428.db2.gz QQBJIJKHQUUUSN-UHFFFAOYSA-N 0 0 404.728 4.293 20 5 HIBDRN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000565966686 945944525 /nfs/dbraw/zinc/94/45/25/945944525.db2.gz ASBMZIXCFBFKSF-QGZVFWFLSA-N 0 0 416.231 4.380 20 5 HIBDRN COc1cc(Cc2noc([C@H](C)OC3CCCCCC3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000566048464 945994697 /nfs/dbraw/zinc/99/46/97/945994697.db2.gz OQGZVOBIFXJUCU-ZDUSSCGKSA-N 0 0 405.451 4.386 20 5 HIBDRN CC1(C)CN(CC2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)c2cc(C3CC3)ccc21 ZINC000566514395 946024532 /nfs/dbraw/zinc/02/45/32/946024532.db2.gz PMLNVTJGKMHXFE-UHFFFAOYSA-N 0 0 423.488 4.481 20 5 HIBDRN O=C(CN[C@H](c1cccc(F)c1F)C(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566525199 946030463 /nfs/dbraw/zinc/03/04/63/946030463.db2.gz JNXNNYCAPGENKT-OAHLLOKOSA-N 0 0 423.725 4.358 20 5 HIBDRN O=C(CN[C@@H](c1cccc(F)c1F)C(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566525196 946031309 /nfs/dbraw/zinc/03/13/09/946031309.db2.gz JNXNNYCAPGENKT-HNNXBMFYSA-N 0 0 423.725 4.358 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)c1 ZINC000566587232 946048590 /nfs/dbraw/zinc/04/85/90/946048590.db2.gz PQZLFRHSUCLKNQ-UHFFFAOYSA-N 0 0 400.822 4.393 20 5 HIBDRN Cc1cc(Cc2noc([C@@H]3CCCN3c3ncnc4sccc43)n2)ccc1[N+](=O)[O-] ZINC000566704481 946076629 /nfs/dbraw/zinc/07/66/29/946076629.db2.gz SAEVDHACWDTTJV-INIZCTEOSA-N 0 0 422.470 4.223 20 5 HIBDRN COc1ccccc1N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000566766676 946093612 /nfs/dbraw/zinc/09/36/12/946093612.db2.gz AAKQPCKZHIVNFZ-UHFFFAOYSA-N 0 0 422.279 4.219 20 5 HIBDRN O=C(N[C@@H]1CCc2sc(Cl)cc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000566769586 946094887 /nfs/dbraw/zinc/09/48/87/946094887.db2.gz JKQNLDFZXNUWMW-SNVBAGLBSA-N 0 0 401.669 4.490 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c1 ZINC000566938911 946176188 /nfs/dbraw/zinc/17/61/88/946176188.db2.gz KLKHBKXLNUYRFD-PKOBYXMFSA-N 0 0 406.385 4.002 20 5 HIBDRN C[C@@H](C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000567042018 946226664 /nfs/dbraw/zinc/22/66/64/946226664.db2.gz VQQQGROHFBHFKP-KGLIPLIRSA-N 0 0 404.850 4.406 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000567155648 946258768 /nfs/dbraw/zinc/25/87/68/946258768.db2.gz TUFCDMJYIGXMSG-UHFFFAOYSA-N 0 0 415.862 4.154 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000567273234 946286321 /nfs/dbraw/zinc/28/63/21/946286321.db2.gz CFJCNYZBUGPNJL-UHFFFAOYSA-N 0 0 408.361 4.020 20 5 HIBDRN C[C@@H](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)c1ccc(Cl)cc1 ZINC000567423846 946333420 /nfs/dbraw/zinc/33/34/20/946333420.db2.gz FLKVBVYNVOCOLH-ZDUSSCGKSA-N 0 0 413.861 4.297 20 5 HIBDRN COc1cc(-c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)ccc1C ZINC000567544382 946370607 /nfs/dbraw/zinc/37/06/07/946370607.db2.gz FHVJDPLTLCOGGR-GOSISDBHSA-N 0 0 422.441 4.248 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000567545875 946371264 /nfs/dbraw/zinc/37/12/64/946371264.db2.gz QVTYOQOXTACEBK-MRXNPFEDSA-N 0 0 400.822 4.425 20 5 HIBDRN O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000567951099 946428867 /nfs/dbraw/zinc/42/88/67/946428867.db2.gz LWOCZPPYWQQMHM-OAHLLOKOSA-N 0 0 402.756 4.121 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)c1 ZINC000568004648 946439779 /nfs/dbraw/zinc/43/97/79/946439779.db2.gz VYSGHRPRQMTMDO-CYBMUJFWSA-N 0 0 402.422 4.412 20 5 HIBDRN CC(C)(C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000568055871 946452094 /nfs/dbraw/zinc/45/20/94/946452094.db2.gz NOKUFCCOLPBYDO-ZBFHGGJFSA-N 0 0 403.276 4.307 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000568055868 946452130 /nfs/dbraw/zinc/45/21/30/946452130.db2.gz NOKUFCCOLPBYDO-GDBMZVCRSA-N 0 0 403.276 4.307 20 5 HIBDRN CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000568311424 946501354 /nfs/dbraw/zinc/50/13/54/946501354.db2.gz UEIPGTRQYWHROY-JOCHJYFZSA-N 0 0 419.437 4.279 20 5 HIBDRN C[C@@H](NC(=O)Cc1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1)c1ccccc1 ZINC000568326611 946508039 /nfs/dbraw/zinc/50/80/39/946508039.db2.gz LNKYRYXLDUOPHI-OAHLLOKOSA-N 0 0 424.460 4.151 20 5 HIBDRN C[C@H](NC(=O)Cc1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1)c1ccccc1 ZINC000568326610 946508490 /nfs/dbraw/zinc/50/84/90/946508490.db2.gz LNKYRYXLDUOPHI-HNNXBMFYSA-N 0 0 424.460 4.151 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000568453538 946557729 /nfs/dbraw/zinc/55/77/29/946557729.db2.gz ANNHQYCSMFDGRA-UGSOOPFHSA-N 0 0 411.458 4.003 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000568557077 946594825 /nfs/dbraw/zinc/59/48/25/946594825.db2.gz RNMQLCDCPXHNIE-CZUORRHYSA-N 0 0 412.412 4.287 20 5 HIBDRN Cc1c2ccccc2oc1-c1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000568799578 946699359 /nfs/dbraw/zinc/69/93/59/946699359.db2.gz UZYFLXMIPWVDBH-UHFFFAOYSA-N 0 0 406.398 4.203 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000568806027 946704759 /nfs/dbraw/zinc/70/47/59/946704759.db2.gz HFIRIFIARNRVRP-CQSZACIVSA-N 0 0 401.463 4.175 20 5 HIBDRN Cn1nc(C(F)F)c2cc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)sc21 ZINC000568813413 946713268 /nfs/dbraw/zinc/71/32/68/946713268.db2.gz TXNAIEGYYUFJRR-UHFFFAOYSA-N 0 0 420.401 4.185 20 5 HIBDRN C[C@H](Oc1ccccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(F)(F)F ZINC000568915181 946751903 /nfs/dbraw/zinc/75/19/03/946751903.db2.gz VEIGLAMRADTXSA-LBPRGKRZSA-N 0 0 420.347 4.362 20 5 HIBDRN O=C(NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000569025914 946801649 /nfs/dbraw/zinc/80/16/49/946801649.db2.gz XWLXAUBISDIJAF-UHFFFAOYSA-N 0 0 410.804 4.048 20 5 HIBDRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000569143071 946821967 /nfs/dbraw/zinc/82/19/67/946821967.db2.gz RWUPZNGVITWCAC-AWEZNQCLSA-N 0 0 408.405 4.294 20 5 HIBDRN CCCCc1ccc(NC(=O)Cc2noc(COc3ccc([N+](=O)[O-])c(C)c3)n2)cc1 ZINC000569153950 946825269 /nfs/dbraw/zinc/82/52/69/946825269.db2.gz XBAGGWATASGYLK-UHFFFAOYSA-N 0 0 424.457 4.389 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccc4c(c3)CCC4)no2)ccc1[N+](=O)[O-] ZINC000569159242 946827357 /nfs/dbraw/zinc/82/73/57/946827357.db2.gz NISBCBRRIPYANF-FQEVSTJZSA-N 0 0 418.453 4.419 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1OC 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CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CN(Cc3ccccc3)CCO2)no1 ZINC000570363928 947220185 /nfs/dbraw/zinc/22/01/85/947220185.db2.gz ORRYBBSRWJFADS-CTNGQTDRSA-N 0 0 422.485 4.288 20 5 HIBDRN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ccc2ncccc2c1 ZINC000570448992 947251749 /nfs/dbraw/zinc/25/17/49/947251749.db2.gz HVAIZEDXVPUTLV-UHFFFAOYSA-N 0 0 418.409 4.084 20 5 HIBDRN CN(Cc1cc(Br)ccc1Cl)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000570751668 947344541 /nfs/dbraw/zinc/34/45/41/947344541.db2.gz DHQRTIBLGVXMEG-UHFFFAOYSA-N 0 0 423.654 4.296 20 5 HIBDRN COc1cc(Cc2noc([C@@H](C)Oc3cccc(Cl)c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000570910381 947390186 /nfs/dbraw/zinc/39/01/86/947390186.db2.gz JAURMAXAUWXHAW-LLVKDONJSA-N 0 0 419.821 4.379 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000570961032 947399023 /nfs/dbraw/zinc/39/90/23/947399023.db2.gz CTIISICPFOZLCC-KRWDZBQOSA-N 0 0 415.247 4.211 20 5 HIBDRN COc1cc(Cc2noc([C@H](C)c3cccc(Br)c3)n2)ccc1[N+](=O)[O-] ZINC000571135412 947526006 /nfs/dbraw/zinc/52/60/06/947526006.db2.gz YVOCXDKAHWOVRL-LLVKDONJSA-N 0 0 418.247 4.492 20 5 HIBDRN COc1cc(Cc2noc(C(C)(C)c3ccccc3F)n2)c([N+](=O)[O-])c(OC)c1 ZINC000571150237 947527694 /nfs/dbraw/zinc/52/76/94/947527694.db2.gz ZJPJZNSMPDPFRM-UHFFFAOYSA-N 0 0 401.394 4.051 20 5 HIBDRN CC(C)c1ccc(-c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000571202318 947545399 /nfs/dbraw/zinc/54/53/99/947545399.db2.gz XSMBKRAEIVATOT-UHFFFAOYSA-N 0 0 421.862 4.396 20 5 HIBDRN O=C(N[C@H]1COc2ccc(F)cc2C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000571218433 947551868 /nfs/dbraw/zinc/55/18/68/947551868.db2.gz NDAUIYVIILDRDZ-GOSISDBHSA-N 0 0 422.412 4.046 20 5 HIBDRN O=[N+]([O-])c1cccc(Oc2ccc(-c3noc([C@H]4CCc5nccn5C4)n3)cc2)c1 ZINC000571225237 947553319 /nfs/dbraw/zinc/55/33/19/947553319.db2.gz CDNOYOSXJQBTHZ-HNNXBMFYSA-N 0 0 403.398 4.364 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC[C@H](c3ccccc3)C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000571220585 947554189 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O=[N+]([O-])c1cccc(Cl)c1CNc1cc(F)c(Cl)cc1N1CCOCC1 ZINC000572143245 947849496 /nfs/dbraw/zinc/84/94/96/947849496.db2.gz VSDQIRGGRVSCDI-UHFFFAOYSA-N 0 0 400.237 4.489 20 5 HIBDRN CCCOc1ccc([C@@H](C)Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1OC ZINC000572145668 947850466 /nfs/dbraw/zinc/85/04/66/947850466.db2.gz MFVAGPIXLZLBNJ-CYBMUJFWSA-N 0 0 403.435 4.055 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 ZINC000572163476 947853603 /nfs/dbraw/zinc/85/36/03/947853603.db2.gz LNMCOSDVIQMISG-DLBZAZTESA-N 0 0 406.442 4.235 20 5 HIBDRN CCCCS(=O)(=O)c1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)cc1 ZINC000572163388 947853982 /nfs/dbraw/zinc/85/39/82/947853982.db2.gz GSKJNPBWDNMTRZ-UHFFFAOYSA-N 0 0 415.471 4.118 20 5 HIBDRN O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000572171148 947856105 /nfs/dbraw/zinc/85/61/05/947856105.db2.gz ZNVULZKKVLUMPA-UHFFFAOYSA-N 0 0 400.193 4.467 20 5 HIBDRN COc1ccc(C(C)(C)CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1OC 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861346039 /nfs/dbraw/zinc/34/60/39/861346039.db2.gz WKIQPVPWXFSLDP-UHFFFAOYSA-N 0 0 400.478 4.061 20 5 HIBDRN Cc1ccccc1OCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436064837 861346113 /nfs/dbraw/zinc/34/61/13/861346113.db2.gz JYOMNLKRIZRIJH-UHFFFAOYSA-N 0 0 408.404 4.077 20 5 HIBDRN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436067561 861349280 /nfs/dbraw/zinc/34/92/80/861349280.db2.gz QYYWAKUBFGKPAB-UHFFFAOYSA-N 0 0 417.318 4.192 20 5 HIBDRN O=C(NCCc1c(F)cccc1F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436068703 861351433 /nfs/dbraw/zinc/35/14/33/861351433.db2.gz PTHSBAHPEVGNNU-UHFFFAOYSA-N 0 0 414.358 4.210 20 5 HIBDRN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436091168 861370563 /nfs/dbraw/zinc/37/05/63/861370563.db2.gz UBIGPFYNXUUJLS-HXUWFJFHSA-N 0 0 411.505 4.076 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436090691 861371444 /nfs/dbraw/zinc/37/14/44/861371444.db2.gz RRSPEAXLFGRXFM-UHFFFAOYSA-N 0 0 423.375 4.140 20 5 HIBDRN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436103268 861386958 /nfs/dbraw/zinc/38/69/58/861386958.db2.gz ADZFRIMYJRSXRV-UHFFFAOYSA-N 0 0 419.387 4.097 20 5 HIBDRN COc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1F ZINC000436103040 861387174 /nfs/dbraw/zinc/38/71/74/861387174.db2.gz MMFCNXTZNWTHOK-UHFFFAOYSA-N 0 0 412.367 4.037 20 5 HIBDRN CN(CCc1ccc(F)cc1)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436155625 861455669 /nfs/dbraw/zinc/45/56/69/861455669.db2.gz SGFVUZOZFJWTQI-UHFFFAOYSA-N 0 0 410.395 4.413 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)cc1[N+](=O)[O-] ZINC000436174460 861476875 /nfs/dbraw/zinc/47/68/75/861476875.db2.gz VHIOMWZUEBTKEI-UHFFFAOYSA-N 0 0 406.442 4.446 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000436198727 861499058 /nfs/dbraw/zinc/49/90/58/861499058.db2.gz QJWKKQXXXZIPCP-OAHLLOKOSA-N 0 0 409.273 4.339 20 5 HIBDRN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F ZINC000001936188 845005483 /nfs/dbraw/zinc/00/54/83/845005483.db2.gz AGBLPTRFSJFUAP-UHFFFAOYSA-N 0 0 402.712 4.063 20 5 HIBDRN COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000003442190 845021541 /nfs/dbraw/zinc/02/15/41/845021541.db2.gz XTBAUVOZVXXBIU-SECBINFHSA-N 0 0 413.213 4.094 20 5 HIBDRN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1c(Cl)cccc1Cl ZINC000003485281 845026654 /nfs/dbraw/zinc/02/66/54/845026654.db2.gz FIPPDKRSLLAGCQ-UHFFFAOYSA-N 0 0 403.605 4.351 20 5 HIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000003496367 845029664 /nfs/dbraw/zinc/02/96/64/845029664.db2.gz VFXXMTANFGOELE-INIZCTEOSA-N 0 0 424.478 4.431 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000003541905 845036158 /nfs/dbraw/zinc/03/61/58/845036158.db2.gz QYGHEDOINFQYGM-LLVKDONJSA-N 0 0 412.273 4.369 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC000003548635 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BLQDFMHXRPMCAH-UHFFFAOYSA-N 0 0 407.220 4.095 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000015345892 846037756 /nfs/dbraw/zinc/03/77/56/846037756.db2.gz VBXHPHFWXWOGBI-UHFFFAOYSA-N 0 0 416.481 4.169 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000015362175 846041571 /nfs/dbraw/zinc/04/15/71/846041571.db2.gz AVNLVRXLGQTILK-QGZVFWFLSA-N 0 0 406.510 4.054 20 5 HIBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000015414975 846046233 /nfs/dbraw/zinc/04/62/33/846046233.db2.gz UBHMZKDUXJEPRE-QGZVFWFLSA-N 0 0 421.906 4.047 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000015504608 846055186 /nfs/dbraw/zinc/05/51/86/846055186.db2.gz QGNYQRNVQFETDO-INIZCTEOSA-N 0 0 412.490 4.279 20 5 HIBDRN O=C(Nc1ccc(OC(=O)C2=Cc3ccccc3OC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000015515693 846057158 /nfs/dbraw/zinc/05/71/58/846057158.db2.gz FOUJYHGENSTYTF-UHFFFAOYSA-N 0 0 416.389 4.229 20 5 HIBDRN COc1ccc(Cl)cc1CN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000015551280 846061786 /nfs/dbraw/zinc/06/17/86/846061786.db2.gz UFCDNHIGWADRKC-LBPRGKRZSA-N 0 0 402.838 4.500 20 5 HIBDRN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000015580260 846065939 /nfs/dbraw/zinc/06/59/39/846065939.db2.gz SKIGWRGZJLEVDR-UHFFFAOYSA-N 0 0 424.800 4.462 20 5 HIBDRN Cc1cc(C)c(OC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c([N+](=O)[O-])c1 ZINC000015587409 846068082 /nfs/dbraw/zinc/06/80/82/846068082.db2.gz PUGSLUSVFAUWLX-UHFFFAOYSA-N 0 0 401.806 4.453 20 5 HIBDRN COc1ccc(CC(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1F ZINC000015602659 846071091 /nfs/dbraw/zinc/07/10/91/846071091.db2.gz YBGDLDCOFXOVRD-UHFFFAOYSA-N 0 0 424.384 4.143 20 5 HIBDRN Cn1ccnc1[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000015640344 846078174 /nfs/dbraw/zinc/07/81/74/846078174.db2.gz XZOYLKXEIDYZCO-INIZCTEOSA-N 0 0 405.241 4.155 20 5 HIBDRN COC(=O)c1cc(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000015696251 846084251 /nfs/dbraw/zinc/08/42/51/846084251.db2.gz LBNWFEHADYUSOZ-QMMMGPOBSA-N 0 0 415.204 4.318 20 5 HIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1C(F)(F)F ZINC000015709974 846086440 /nfs/dbraw/zinc/08/64/40/846086440.db2.gz XXIFLBDEEAFJSY-SECBINFHSA-N 0 0 416.739 4.451 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000015714228 846087298 /nfs/dbraw/zinc/08/72/98/846087298.db2.gz WMSZTVFHLPHIGC-HNNXBMFYSA-N 0 0 420.421 4.454 20 5 HIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000015827918 846096968 /nfs/dbraw/zinc/09/69/68/846096968.db2.gz ADEWKEHZGDXJQO-SFHVURJKSA-N 0 0 402.472 4.068 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000015829687 846097831 /nfs/dbraw/zinc/09/78/31/846097831.db2.gz KXIBPDITJZURTN-SFHVURJKSA-N 0 0 402.472 4.068 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000015963162 846105065 /nfs/dbraw/zinc/10/50/65/846105065.db2.gz DDUBZHAPLRTXRP-IIAWOOMASA-N 0 0 416.503 4.390 20 5 HIBDRN COc1cc(CCNC(=O)c2cc(C(C)C)nc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000016144107 846129495 /nfs/dbraw/zinc/12/94/95/846129495.db2.gz AWLAEACAJMVJTF-UHFFFAOYSA-N 0 0 423.469 4.256 20 5 HIBDRN COC(=O)c1c(C)[nH]c(C(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)c1C ZINC000016325100 846154086 /nfs/dbraw/zinc/15/40/86/846154086.db2.gz HHOFVSZQJZOKOM-UHFFFAOYSA-N 0 0 414.439 4.317 20 5 HIBDRN CCCOc1ccc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1OCC ZINC000016387052 846163594 /nfs/dbraw/zinc/16/35/94/846163594.db2.gz JMGZDXLHTYBJLN-FOWTUZBSSA-N 0 0 421.453 4.437 20 5 HIBDRN CCn1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000016402558 846165968 /nfs/dbraw/zinc/16/59/68/846165968.db2.gz NGALFQIYLHDKMO-UHFFFAOYSA-N 0 0 401.806 4.018 20 5 HIBDRN CCn1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000016402588 846166114 /nfs/dbraw/zinc/16/61/14/846166114.db2.gz ZWVCTWVHSKMVDJ-LBPRGKRZSA-N 0 0 415.833 4.407 20 5 HIBDRN CCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000016723551 846200886 /nfs/dbraw/zinc/20/08/86/846200886.db2.gz HZFARXZDPFRINP-WMLDXEAASA-N 0 0 400.431 4.058 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)cc1 ZINC000016760423 846207003 /nfs/dbraw/zinc/20/70/03/846207003.db2.gz DVZYITDSXKUJRO-SFHVURJKSA-N 0 0 412.423 4.202 20 5 HIBDRN Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000016927373 846220687 /nfs/dbraw/zinc/22/06/87/846220687.db2.gz NIPOCSDYMRCUMY-GFCCVEGCSA-N 0 0 421.247 4.158 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1c[nH]c2ccccc12 ZINC000017296171 846241665 /nfs/dbraw/zinc/24/16/65/846241665.db2.gz FKKSEUGOEUXOLZ-UHFFFAOYSA-N 0 0 420.391 4.256 20 5 HIBDRN Cc1cccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000017356533 846249436 /nfs/dbraw/zinc/24/94/36/846249436.db2.gz JCRIYJGUAJXZEC-UHFFFAOYSA-N 0 0 415.493 4.451 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017483066 846254726 /nfs/dbraw/zinc/25/47/26/846254726.db2.gz FLULZEDDBOONIG-SECBINFHSA-N 0 0 418.749 4.124 20 5 HIBDRN Cc1ccc(-n2nnnc2S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 ZINC000017655465 846262642 /nfs/dbraw/zinc/26/26/42/846262642.db2.gz AMTPDOBSXQKYCM-ZDUSSCGKSA-N 0 0 423.458 4.091 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Br)s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017668991 846263667 /nfs/dbraw/zinc/26/36/67/846263667.db2.gz UHJYDKFOQNXGCX-MRVPVSSYSA-N 0 0 424.232 4.387 20 5 HIBDRN Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)n1C1CCCCC1 ZINC000017941167 846279435 /nfs/dbraw/zinc/27/94/35/846279435.db2.gz UNDVCKMQBGKCBZ-UHFFFAOYSA-N 0 0 417.437 4.453 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000018004462 846283912 /nfs/dbraw/zinc/28/39/12/846283912.db2.gz FBJBLUJNHPGVNC-UHFFFAOYSA-N 0 0 424.284 4.321 20 5 HIBDRN CC(C)c1cc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2ccccc2n1 ZINC000018023782 846286498 /nfs/dbraw/zinc/28/64/98/846286498.db2.gz XAXYPESPBUIZEL-UHFFFAOYSA-N 0 0 411.389 4.201 20 5 HIBDRN CN(CCOc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000018047413 846288867 /nfs/dbraw/zinc/28/88/67/846288867.db2.gz BKWNMBWOKHAEJI-UHFFFAOYSA-N 0 0 413.655 4.162 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000018123028 846299425 /nfs/dbraw/zinc/29/94/25/846299425.db2.gz JDESYVHTBFVLLY-UHFFFAOYSA-N 0 0 423.897 4.067 20 5 HIBDRN Nc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc2sc3c(c21)CCCC3 ZINC000018321833 846319874 /nfs/dbraw/zinc/31/98/74/846319874.db2.gz BMULNBPKLIFZRM-UHFFFAOYSA-N 0 0 418.862 4.071 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000018372457 846323204 /nfs/dbraw/zinc/32/32/04/846323204.db2.gz BJBFVSBSZWABAX-UHFFFAOYSA-N 0 0 424.453 4.059 20 5 HIBDRN CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000018456729 846327327 /nfs/dbraw/zinc/32/73/27/846327327.db2.gz JFIZDFOYDWNAGR-AWEZNQCLSA-N 0 0 412.442 4.279 20 5 HIBDRN CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000018456702 846327357 /nfs/dbraw/zinc/32/73/57/846327357.db2.gz RUENSNOYGAEMSV-AWEZNQCLSA-N 0 0 414.458 4.475 20 5 HIBDRN Cc1csc(=O)n1CCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000018954867 846349478 /nfs/dbraw/zinc/34/94/78/846349478.db2.gz XWYCJVUPWUXUJP-UHFFFAOYSA-N 0 0 416.480 4.135 20 5 HIBDRN CCn1c(SCC(=O)NCc2ccccc2C)nc2cc3ccccc3cc2c1=O ZINC000019241444 846360178 /nfs/dbraw/zinc/36/01/78/846360178.db2.gz WHTXOWWHOXNOLV-UHFFFAOYSA-N 0 0 417.534 4.287 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000019284824 846361253 /nfs/dbraw/zinc/36/12/53/846361253.db2.gz JZFKKMWUFDUCJB-HNNXBMFYSA-N 0 0 420.421 4.454 20 5 HIBDRN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 ZINC000019684396 846373282 /nfs/dbraw/zinc/37/32/82/846373282.db2.gz OCGGFCDLXNVVAF-KRWDZBQOSA-N 0 0 410.879 4.091 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccccc3N3CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000020008584 846375321 /nfs/dbraw/zinc/37/53/21/846375321.db2.gz IOYILMZRZPCLQB-UHFFFAOYSA-N 0 0 419.485 4.309 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1[N+](=O)[O-] ZINC000020021862 846376094 /nfs/dbraw/zinc/37/60/94/846376094.db2.gz CHNOTMDDHOBSBY-UHFFFAOYSA-N 0 0 400.435 4.465 20 5 HIBDRN COc1cc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3Cl)o2)cc(OC)c1OC ZINC000020666842 846386000 /nfs/dbraw/zinc/38/60/00/846386000.db2.gz MLQNFZGIWAHTDY-UHFFFAOYSA-N 0 0 423.834 4.475 20 5 HIBDRN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000020820855 846389567 /nfs/dbraw/zinc/38/95/67/846389567.db2.gz MFRKCSGTUDVBDF-OAQYLSRUSA-N 0 0 424.840 4.311 20 5 HIBDRN Cc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1[N+](=O)[O-] ZINC000020893591 846393615 /nfs/dbraw/zinc/39/36/15/846393615.db2.gz CSYMHPAICICFAK-UHFFFAOYSA-N 0 0 408.380 4.172 20 5 HIBDRN C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021123885 846406295 /nfs/dbraw/zinc/40/62/95/846406295.db2.gz LYPYNKUFMXNDGC-OAHLLOKOSA-N 0 0 422.412 4.436 20 5 HIBDRN C[C@@H](OC(=O)c1csc2c1CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021241233 846421040 /nfs/dbraw/zinc/42/10/40/846421040.db2.gz NLQMQWFZAUQFFX-SNVBAGLBSA-N 0 0 408.863 4.373 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)O[C@@H](C(N)=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000021436937 846442404 /nfs/dbraw/zinc/44/24/04/846442404.db2.gz CVSHJWOWQPUNDT-HXUWFJFHSA-N 0 0 422.462 4.438 20 5 HIBDRN C[C@H](Sc1nnc(-c2ccccc2Br)n1N)c1cccc([N+](=O)[O-])c1 ZINC000021604965 846470749 /nfs/dbraw/zinc/47/07/49/846470749.db2.gz GLCPKWPHZYVDJT-JTQLQIEISA-N 0 0 420.292 4.183 20 5 HIBDRN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021683401 846482546 /nfs/dbraw/zinc/48/25/46/846482546.db2.gz BTYNXKOOLZHHAT-CYBMUJFWSA-N 0 0 409.471 4.172 20 5 HIBDRN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021684750 846482587 /nfs/dbraw/zinc/48/25/87/846482587.db2.gz PVWQKDQJCQMLOT-AWEZNQCLSA-N 0 0 423.498 4.231 20 5 HIBDRN C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021681873 846482804 /nfs/dbraw/zinc/48/28/04/846482804.db2.gz CIEPFLFGRPAVTJ-NSHDSACASA-N 0 0 407.521 4.310 20 5 HIBDRN Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n[nH]2)cc1 ZINC000021730924 846488873 /nfs/dbraw/zinc/48/88/73/846488873.db2.gz WLZMRNDYYFVHFC-LLVKDONJSA-N 0 0 417.878 4.461 20 5 HIBDRN Cc1ccc(-c2nc(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])n[nH]2)cc1 ZINC000021753708 846491774 /nfs/dbraw/zinc/49/17/74/846491774.db2.gz YWBJEHABHHKPKX-UHFFFAOYSA-N 0 0 403.851 4.073 20 5 HIBDRN Cc1ccc(C)c(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000021769944 846493594 /nfs/dbraw/zinc/49/35/94/846493594.db2.gz ZBRAEPLJDSCFPP-MRXNPFEDSA-N 0 0 412.442 4.053 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)CCSc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000021971569 846515641 /nfs/dbraw/zinc/51/56/41/846515641.db2.gz WNUFXNVGEILQFI-CYBMUJFWSA-N 0 0 406.435 4.095 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000022003928 846519519 /nfs/dbraw/zinc/51/95/19/846519519.db2.gz ZRGFOUKGKJVOFT-UHFFFAOYSA-N 0 0 418.405 4.195 20 5 HIBDRN Cc1cc2occ(CC(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)c2cc1C ZINC000022081239 846528653 /nfs/dbraw/zinc/52/86/53/846528653.db2.gz LCYBQDGCBTZCOX-OAHLLOKOSA-N 0 0 410.426 4.379 20 5 HIBDRN COc1cccc2sc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)nc21 ZINC000022136473 846534532 /nfs/dbraw/zinc/53/45/32/846534532.db2.gz SEWRVECXOQEYFG-UHFFFAOYSA-N 0 0 415.474 4.412 20 5 HIBDRN C[C@@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000022171110 846539499 /nfs/dbraw/zinc/53/94/99/846539499.db2.gz PTTBYCOVDLNAFC-SNVBAGLBSA-N 0 0 419.463 4.448 20 5 HIBDRN O=[N+]([O-])c1cc(CSc2nnc(Nc3cccc(F)c3)s2)c2c(c1)COCO2 ZINC000022171574 846540843 /nfs/dbraw/zinc/54/08/43/846540843.db2.gz FHEGVIBEDKEIGM-UHFFFAOYSA-N 0 0 420.447 4.488 20 5 HIBDRN C[C@@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000022171755 846541062 /nfs/dbraw/zinc/54/10/62/846541062.db2.gz FMPFUSANPCAFMH-SNVBAGLBSA-N 0 0 419.463 4.448 20 5 HIBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCCc2nc3ccccc3[nH]2)CC1 ZINC000022283568 846553054 /nfs/dbraw/zinc/55/30/54/846553054.db2.gz HWRXIEBACPKSLX-UHFFFAOYSA-N 0 0 421.501 4.070 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000022291659 846554501 /nfs/dbraw/zinc/55/45/01/846554501.db2.gz FXRUMYWMXIOOGF-AWEZNQCLSA-N 0 0 420.560 4.403 20 5 HIBDRN Cc1nnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1-c1ccccc1C ZINC000022356697 846560242 /nfs/dbraw/zinc/56/02/42/846560242.db2.gz PNPNJXVYRFFXNB-AWEZNQCLSA-N 0 0 411.487 4.220 20 5 HIBDRN CC[C@H](NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000022547264 846584515 /nfs/dbraw/zinc/58/45/15/846584515.db2.gz ULQXUSJBTCUQTN-HNNXBMFYSA-N 0 0 411.241 4.326 20 5 HIBDRN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000022547694 846584881 /nfs/dbraw/zinc/58/48/81/846584881.db2.gz WSJVEYALKUSWAN-CQSZACIVSA-N 0 0 404.850 4.231 20 5 HIBDRN CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000022720671 846609681 /nfs/dbraw/zinc/60/96/81/846609681.db2.gz CROAQVNOXUOTCO-UHFFFAOYSA-N 0 0 421.247 4.276 20 5 HIBDRN COc1cc(OC)c(OC)cc1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000022815443 846624792 /nfs/dbraw/zinc/62/47/92/846624792.db2.gz XBESBZCIYDNILQ-UHFFFAOYSA-N 0 0 422.437 4.464 20 5 HIBDRN CCCn1c(C)cc(C(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C ZINC000022847097 846628288 /nfs/dbraw/zinc/62/82/88/846628288.db2.gz XOEGNELUOGOXDB-UHFFFAOYSA-N 0 0 423.263 4.225 20 5 HIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000023344494 846686413 /nfs/dbraw/zinc/68/64/13/846686413.db2.gz RZEICVWVRCTBFY-AWEZNQCLSA-N 0 0 410.451 4.431 20 5 HIBDRN Cn1cccc1C(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000023426111 846700806 /nfs/dbraw/zinc/70/08/06/846700806.db2.gz DPYLKGWWQCJWHS-UHFFFAOYSA-N 0 0 414.801 4.419 20 5 HIBDRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000023504180 846710436 /nfs/dbraw/zinc/71/04/36/846710436.db2.gz JUBWHUZCORBBGU-CQSZACIVSA-N 0 0 403.429 4.309 20 5 HIBDRN Cc1ccc(OCCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000436373502 861714035 /nfs/dbraw/zinc/71/40/35/861714035.db2.gz ZSJLOKVDAYCOSH-UHFFFAOYSA-N 0 0 422.431 4.467 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1ccccn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000023997000 846770583 /nfs/dbraw/zinc/77/05/83/846770583.db2.gz JTMCMPJKDYLWOX-QHCPKHFHSA-N 0 0 416.481 4.112 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000024049172 846782593 /nfs/dbraw/zinc/78/25/93/846782593.db2.gz MNZUEMQLPWMLKK-HNNXBMFYSA-N 0 0 413.499 4.340 20 5 HIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000024354845 846816451 /nfs/dbraw/zinc/81/64/51/846816451.db2.gz XESWJUGURHDJNF-FQEVSTJZSA-N 0 0 413.474 4.168 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c1 ZINC000024542744 846835516 /nfs/dbraw/zinc/83/55/16/846835516.db2.gz PZYKXOOAYWQUKB-MRXNPFEDSA-N 0 0 411.439 4.314 20 5 HIBDRN O=C(CN1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000024662766 846850529 /nfs/dbraw/zinc/85/05/29/846850529.db2.gz MVFCJFOUHDHKHH-ZDUSSCGKSA-N 0 0 414.849 4.208 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1NC(=O)c1ccccc1 ZINC000024661692 846850837 /nfs/dbraw/zinc/85/08/37/846850837.db2.gz ZSDXLMAZJQEXJK-UHFFFAOYSA-N 0 0 404.426 4.206 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000024900242 846885451 /nfs/dbraw/zinc/88/54/51/846885451.db2.gz OXOHJRFQVDKTQD-CQSZACIVSA-N 0 0 422.466 4.361 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1Sc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC000436387560 861730140 /nfs/dbraw/zinc/73/01/40/861730140.db2.gz KCQJTDWXPDCTFH-UHFFFAOYSA-N 0 0 403.292 4.223 20 5 HIBDRN CSc1cccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000024997473 846902226 /nfs/dbraw/zinc/90/22/26/846902226.db2.gz BLCVSVICJGLRIZ-OLZOCXBDSA-N 0 0 420.512 4.368 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(Br)s1 ZINC000025472887 846984301 /nfs/dbraw/zinc/98/43/01/846984301.db2.gz MEGFCYPUVNKNLI-VIFPVBQESA-N 0 0 401.307 4.216 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(Br)s1 ZINC000025472884 846984482 /nfs/dbraw/zinc/98/44/82/846984482.db2.gz MEGFCYPUVNKNLI-SECBINFHSA-N 0 0 401.307 4.216 20 5 HIBDRN CCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3[N+](=O)[O-])c2c1C ZINC000025495749 846988065 /nfs/dbraw/zinc/98/80/65/846988065.db2.gz FRECRHXXVIUPSE-UHFFFAOYSA-N 0 0 400.460 4.029 20 5 HIBDRN COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000025552182 846999806 /nfs/dbraw/zinc/99/98/06/846999806.db2.gz IMLQCTNGIXYMRZ-CQSZACIVSA-N 0 0 412.471 4.217 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCC1CCN(CC(F)(F)F)CC1 ZINC000436401295 861748394 /nfs/dbraw/zinc/74/83/94/861748394.db2.gz UYUPOUDNBJLHQD-UHFFFAOYSA-N 0 0 400.323 4.085 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 ZINC000025983015 847067176 /nfs/dbraw/zinc/06/71/76/847067176.db2.gz WKSJSPGLQRLEHX-JTQLQIEISA-N 0 0 422.413 4.468 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCCc3csc(C)n3)cc2[N+](=O)[O-])n1 ZINC000025999594 847070456 /nfs/dbraw/zinc/07/04/56/847070456.db2.gz SOAAFQUUJMEBOU-UHFFFAOYSA-N 0 0 420.541 4.248 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)Cc1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000436404644 861752233 /nfs/dbraw/zinc/75/22/33/861752233.db2.gz CGDPUZNRLGQGFU-KRWDZBQOSA-N 0 0 422.840 4.129 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000026119560 847089880 /nfs/dbraw/zinc/08/98/80/847089880.db2.gz JHAKHYSSZXYDIE-AWEZNQCLSA-N 0 0 412.442 4.316 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000026342269 847127855 /nfs/dbraw/zinc/12/78/55/847127855.db2.gz VHINBZXYCNBJKC-CYBMUJFWSA-N 0 0 416.499 4.084 20 5 HIBDRN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000026347594 847130210 /nfs/dbraw/zinc/13/02/10/847130210.db2.gz YNAMCBDDYBTHDJ-GOSISDBHSA-N 0 0 424.482 4.059 20 5 HIBDRN O=C(CCSc1nnc(-c2cccs2)n1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026410967 847141196 /nfs/dbraw/zinc/14/11/96/847141196.db2.gz PWLSMUSSRUWBPL-UHFFFAOYSA-N 0 0 415.500 4.371 20 5 HIBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000026563733 847170105 /nfs/dbraw/zinc/17/01/05/847170105.db2.gz RRAQCWHLIOHGLW-UHFFFAOYSA-N 0 0 412.343 4.003 20 5 HIBDRN CC(=O)c1ccc(NCCNc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 ZINC000026723006 847190882 /nfs/dbraw/zinc/19/08/82/847190882.db2.gz KMEGFJPVMXFKIA-UHFFFAOYSA-N 0 0 402.760 4.389 20 5 HIBDRN CC(=O)Nc1cccc(-n2c(Sc3ccc(F)cc3[N+](=O)[O-])nnc2C2CC2)c1 ZINC000026723907 847191325 /nfs/dbraw/zinc/19/13/25/847191325.db2.gz AZWPQQSHGKGNIT-UHFFFAOYSA-N 0 0 413.434 4.302 20 5 HIBDRN CCc1cc(OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)ccc1Cl ZINC000026768909 847195533 /nfs/dbraw/zinc/19/55/33/847195533.db2.gz CCEXRICIIXRHIK-UHFFFAOYSA-N 0 0 404.806 4.104 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)[C@@H](C)c3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000026874490 847213188 /nfs/dbraw/zinc/21/31/88/847213188.db2.gz UIZXAPOCSBIQDY-HNNXBMFYSA-N 0 0 410.449 4.429 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000026937352 847224468 /nfs/dbraw/zinc/22/44/68/847224468.db2.gz NGEITYVNDGWMFC-CQSZACIVSA-N 0 0 404.488 4.360 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c([N+](=O)[O-])cc1OC ZINC000026985670 847230600 /nfs/dbraw/zinc/23/06/00/847230600.db2.gz KDFJCAKSTBUUOA-UHFFFAOYSA-N 0 0 422.821 4.069 20 5 HIBDRN C[C@@H](Nc1cccc(N2CCCCC2=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000027048299 847240439 /nfs/dbraw/zinc/24/04/39/847240439.db2.gz QUMZZBKPTDSCDF-CYBMUJFWSA-N 0 0 416.865 4.204 20 5 HIBDRN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)o1 ZINC000027282177 847278047 /nfs/dbraw/zinc/27/80/47/847278047.db2.gz AWCPDQSMUKIRMP-LIRRHRJNSA-N 0 0 406.442 4.302 20 5 HIBDRN O=C(OCCCc1nc(-c2ccccc2)no1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000027325999 847283627 /nfs/dbraw/zinc/28/36/27/847283627.db2.gz NMUFXTBQMZUYTK-UHFFFAOYSA-N 0 0 422.441 4.035 20 5 HIBDRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000027380220 847292992 /nfs/dbraw/zinc/29/29/92/847292992.db2.gz RVKZVQXHEKXPOH-CQSZACIVSA-N 0 0 401.488 4.100 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000027962356 847368793 /nfs/dbraw/zinc/36/87/93/847368793.db2.gz GMPBMWYMBZGRJP-GOSISDBHSA-N 0 0 420.537 4.363 20 5 HIBDRN Cc1nc(-c2ccc([C@@H](C)NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2)cs1 ZINC000028036610 847376527 /nfs/dbraw/zinc/37/65/27/847376527.db2.gz NIBNOEGZGAPQTH-CYBMUJFWSA-N 0 0 417.512 4.375 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000028043211 847378576 /nfs/dbraw/zinc/37/85/76/847378576.db2.gz FDPWEITWQVAFOI-AWEZNQCLSA-N 0 0 401.271 4.427 20 5 HIBDRN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(SC(F)F)cc1 ZINC000028263480 847400889 /nfs/dbraw/zinc/40/08/89/847400889.db2.gz SBMWKNHBRRJLBE-UHFFFAOYSA-N 0 0 416.789 4.358 20 5 HIBDRN O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000028382565 847414051 /nfs/dbraw/zinc/41/40/51/847414051.db2.gz XXFQKUHIVKPWMQ-UHFFFAOYSA-N 0 0 420.824 4.381 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cccc3ncccc32)c1 ZINC000028401106 847416151 /nfs/dbraw/zinc/41/61/51/847416151.db2.gz JXHXBEZWQDQHOT-LBPRGKRZSA-N 0 0 411.439 4.049 20 5 HIBDRN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000028423336 847419075 /nfs/dbraw/zinc/41/90/75/847419075.db2.gz UZUORBHZUYMNNF-CYBMUJFWSA-N 0 0 410.382 4.036 20 5 HIBDRN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000028423339 847419202 /nfs/dbraw/zinc/41/92/02/847419202.db2.gz UZUORBHZUYMNNF-ZDUSSCGKSA-N 0 0 410.382 4.036 20 5 HIBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1occc1COc1ccccc1 ZINC000028484170 847425708 /nfs/dbraw/zinc/42/57/08/847425708.db2.gz OQXSGNUDVQBMDO-UHFFFAOYSA-N 0 0 421.365 4.174 20 5 HIBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(c2cccc(F)c2)CCCC1 ZINC000028614426 847437333 /nfs/dbraw/zinc/43/73/33/847437333.db2.gz DNZFOQGTTMNCNE-UHFFFAOYSA-N 0 0 411.389 4.339 20 5 HIBDRN COc1cc(OC)cc([C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2nccn2C)c1 ZINC000028620332 847438212 /nfs/dbraw/zinc/43/82/12/847438212.db2.gz FCYZJRJIEXIFMK-NRFANRHFSA-N 0 0 419.441 4.095 20 5 HIBDRN Cc1ccc(C(=O)OCc2nnc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] ZINC000028802300 847462869 /nfs/dbraw/zinc/46/28/69/847462869.db2.gz RGZDCXZSTXDEEQ-UHFFFAOYSA-N 0 0 418.203 4.073 20 5 HIBDRN Cc1ccc2c(CC(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)coc2c1 ZINC000028918291 847477504 /nfs/dbraw/zinc/47/75/04/847477504.db2.gz LBCUIHRARGVSJN-UHFFFAOYSA-N 0 0 402.790 4.027 20 5 HIBDRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000029030113 847495193 /nfs/dbraw/zinc/49/51/93/847495193.db2.gz WXPWQOZFSFHMGP-GOSISDBHSA-N 0 0 420.849 4.023 20 5 HIBDRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000029030110 847495448 /nfs/dbraw/zinc/49/54/48/847495448.db2.gz WXPWQOZFSFHMGP-SFHVURJKSA-N 0 0 420.849 4.023 20 5 HIBDRN COc1ccc(CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C2CC2)cc1 ZINC000029064267 847500043 /nfs/dbraw/zinc/50/00/43/847500043.db2.gz WYRBGUSJWXVHFD-UHFFFAOYSA-N 0 0 412.489 4.355 20 5 HIBDRN O=c1[nH]cnc2cc(NCc3ccc(Oc4ccc(F)cc4)cc3)c([N+](=O)[O-])cc12 ZINC000029187586 847522080 /nfs/dbraw/zinc/52/20/80/847522080.db2.gz BQZDKQUQHLMPRB-UHFFFAOYSA-N 0 0 406.373 4.375 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000029243967 847529869 /nfs/dbraw/zinc/52/98/69/847529869.db2.gz SJKOBAGCJRDIGI-LLVKDONJSA-N 0 0 410.348 4.281 20 5 HIBDRN CN(C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000029294812 847541666 /nfs/dbraw/zinc/54/16/66/847541666.db2.gz YSWYATXZMQVVPY-UHFFFAOYSA-N 0 0 408.385 4.007 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000029355647 847550965 /nfs/dbraw/zinc/55/09/65/847550965.db2.gz UUBZOKMGKDWOOJ-UHFFFAOYSA-N 0 0 407.521 4.230 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000436443163 861804084 /nfs/dbraw/zinc/80/40/84/861804084.db2.gz GIPWUNZFKGFPOC-DZGCQCFKSA-N 0 0 422.268 4.129 20 5 HIBDRN Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)c1 ZINC000029447433 847565613 /nfs/dbraw/zinc/56/56/13/847565613.db2.gz CFSPQNKDTKGAGL-UHFFFAOYSA-N 0 0 423.513 4.189 20 5 HIBDRN COCCCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000029540862 847577384 /nfs/dbraw/zinc/57/73/84/847577384.db2.gz YNKJVZXZBFYYIX-SSZFMOIBSA-N 0 0 411.483 4.288 20 5 HIBDRN CN(Cc1ccccc1F)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000029676464 847599243 /nfs/dbraw/zinc/59/92/43/847599243.db2.gz GQHAWLXSBORWCM-UHFFFAOYSA-N 0 0 414.359 4.006 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] ZINC000029829418 847628249 /nfs/dbraw/zinc/62/82/49/847628249.db2.gz OSXSQVIVLVVSQU-JKSUJKDBSA-N 0 0 408.458 4.251 20 5 HIBDRN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1c([N+](=O)[O-])ncn1C ZINC000029852575 847634816 /nfs/dbraw/zinc/63/48/16/847634816.db2.gz ZXRMVXMCAWAASL-UHFFFAOYSA-N 0 0 422.876 4.471 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029891087 847642065 /nfs/dbraw/zinc/64/20/65/847642065.db2.gz QHPBYFUJGSAFRS-UHFFFAOYSA-N 0 0 418.409 4.318 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000029893544 847643156 /nfs/dbraw/zinc/64/31/56/847643156.db2.gz AWDXYEBEHAFIMZ-HNNXBMFYSA-N 0 0 420.473 4.147 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1[N+](=O)[O-] ZINC000029903442 847645507 /nfs/dbraw/zinc/64/55/07/847645507.db2.gz SMXTUFKQHMGHHT-UHFFFAOYSA-N 0 0 415.450 4.341 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000029965230 847661103 /nfs/dbraw/zinc/66/11/03/847661103.db2.gz URWMDWIFGXXITN-LBPRGKRZSA-N 0 0 419.311 4.417 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000030262129 847693844 /nfs/dbraw/zinc/69/38/44/847693844.db2.gz WXJNIMQFVRRVOS-ZDUSSCGKSA-N 0 0 408.285 4.421 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000030333112 847703489 /nfs/dbraw/zinc/70/34/89/847703489.db2.gz VHCYEUYKSQWPOS-AWEZNQCLSA-N 0 0 417.512 4.081 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCn4c5ccccc5nc43)cc2[N+](=O)[O-])C1 ZINC000030661087 847754157 /nfs/dbraw/zinc/75/41/57/847754157.db2.gz IXVHEBFUQSACDL-HZPDHXFCSA-N 0 0 419.485 4.087 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC(C1CC1)C1CC1 ZINC000030800933 847777324 /nfs/dbraw/zinc/77/73/24/847777324.db2.gz XBKSRIHFPFMHQU-UHFFFAOYSA-N 0 0 416.481 4.295 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC[C@H]3CCCc4ccccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000030896066 847793389 /nfs/dbraw/zinc/79/33/89/847793389.db2.gz BLEIMCLINXMXGN-OAQYLSRUSA-N 0 0 418.497 4.306 20 5 HIBDRN CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)o2)cc1 ZINC000031256634 847851300 /nfs/dbraw/zinc/85/13/00/847851300.db2.gz WTSKNUMUMVQAIO-UHFFFAOYSA-N 0 0 419.437 4.020 20 5 HIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000031276250 847855577 /nfs/dbraw/zinc/85/55/77/847855577.db2.gz SJVBVPPHIKIZEM-UHFFFAOYSA-N 0 0 407.430 4.017 20 5 HIBDRN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000031348929 847867459 /nfs/dbraw/zinc/86/74/59/847867459.db2.gz MQGTURUGSKUGOV-UHFFFAOYSA-N 0 0 419.428 4.271 20 5 HIBDRN Cc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(Br)c1 ZINC000031485900 847894157 /nfs/dbraw/zinc/89/41/57/847894157.db2.gz FESCSVATYGANGW-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cc1OC ZINC000031492404 847895041 /nfs/dbraw/zinc/89/50/41/847895041.db2.gz NMKNYVJJKBDIOF-UHFFFAOYSA-N 0 0 424.453 4.436 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(-c2cccc(C)c2)o1 ZINC000031648151 847923110 /nfs/dbraw/zinc/92/31/10/847923110.db2.gz DRCAMHCLXXWEQD-UHFFFAOYSA-N 0 0 414.443 4.083 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1Cl ZINC000031663694 847925030 /nfs/dbraw/zinc/92/50/30/847925030.db2.gz QNNWBWJBRZRNNR-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1I ZINC000031702227 847933846 /nfs/dbraw/zinc/93/38/46/847933846.db2.gz SWHOPNOSKGQWBJ-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN Cc1nccc(-c2cccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2)n1 ZINC000031801031 847952614 /nfs/dbraw/zinc/95/26/14/847952614.db2.gz HVQJSHVZFYHEOZ-UHFFFAOYSA-N 0 0 403.442 4.213 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000031960299 847972210 /nfs/dbraw/zinc/97/22/10/847972210.db2.gz FRHQABUDERHCRG-UHFFFAOYSA-N 0 0 420.512 4.285 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000032417512 848021948 /nfs/dbraw/zinc/02/19/48/848021948.db2.gz PAUGTDYTTBUTHF-JTQLQIEISA-N 0 0 419.286 4.292 20 5 HIBDRN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000032419076 848023034 /nfs/dbraw/zinc/02/30/34/848023034.db2.gz UZMPZOIEOALXBR-HZPDHXFCSA-N 0 0 403.479 4.004 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3cc4c(cc3Cl)OCO4)cc2[N+](=O)[O-])C1 ZINC000032496065 848039583 /nfs/dbraw/zinc/03/95/83/848039583.db2.gz CZRJWSVBBLEBFS-LBPRGKRZSA-N 0 0 417.849 4.466 20 5 HIBDRN COc1ccc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000032676995 848062489 /nfs/dbraw/zinc/06/24/89/848062489.db2.gz UBRFGJKRWSUTRO-OAHLLOKOSA-N 0 0 407.426 4.068 20 5 HIBDRN CC(C)C(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000033091848 848106894 /nfs/dbraw/zinc/10/68/94/848106894.db2.gz CZMKBWGAGQUHCA-UHFFFAOYSA-N 0 0 424.501 4.110 20 5 HIBDRN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000033111017 848110690 /nfs/dbraw/zinc/11/06/90/848110690.db2.gz FGNKYNMNJBQSCF-UHFFFAOYSA-N 0 0 416.437 4.160 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1Cl ZINC000035605400 848144124 /nfs/dbraw/zinc/14/41/24/848144124.db2.gz FQRAJFNPGABVKG-QMMMGPOBSA-N 0 0 401.177 4.225 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000035579669 848144238 /nfs/dbraw/zinc/14/42/38/848144238.db2.gz DIDHETABNNYVST-JTQLQIEISA-N 0 0 406.320 4.155 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000041851806 848258332 /nfs/dbraw/zinc/25/83/32/848258332.db2.gz SAZKZGDPXBRZTC-QGZVFWFLSA-N 0 0 401.438 4.275 20 5 HIBDRN O=C(NCc1ccco1)Nc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000041973941 848271231 /nfs/dbraw/zinc/27/12/31/848271231.db2.gz LKUGTQXFSCNRDG-UHFFFAOYSA-N 0 0 419.397 4.243 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c(F)c1 ZINC000042096475 848285396 /nfs/dbraw/zinc/28/53/96/848285396.db2.gz JOLDBYJWJOIZFT-GFCCVEGCSA-N 0 0 406.464 4.384 20 5 HIBDRN Cc1c(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000042391679 848323693 /nfs/dbraw/zinc/32/36/93/848323693.db2.gz RLBHHHMZWWQHNS-CYBMUJFWSA-N 0 0 408.380 4.172 20 5 HIBDRN Cn1ccnc1COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000042763128 848353665 /nfs/dbraw/zinc/35/36/65/848353665.db2.gz PGDGYXSLGFPIDM-UHFFFAOYSA-N 0 0 408.439 4.374 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(COCc2ccccc2)cc1 ZINC000043091317 848382557 /nfs/dbraw/zinc/38/25/57/848382557.db2.gz BYZUTGZWPFNANP-UHFFFAOYSA-N 0 0 406.438 4.007 20 5 HIBDRN COc1ccc(C(=O)NCc2ccccc2COCc2ccccc2)cc1[N+](=O)[O-] ZINC000043092020 848382807 /nfs/dbraw/zinc/38/28/07/848382807.db2.gz LYRHLXIKHCEYCX-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)cc1[N+](=O)[O-] ZINC000043088903 848382945 /nfs/dbraw/zinc/38/29/45/848382945.db2.gz GYPGOUFEWJTXAW-KRWDZBQOSA-N 0 0 415.515 4.229 20 5 HIBDRN CCOc1cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000043116682 848385352 /nfs/dbraw/zinc/38/53/52/848385352.db2.gz HFPVRIUDLMNZKJ-UHFFFAOYSA-N 0 0 412.364 4.293 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000043149800 848391123 /nfs/dbraw/zinc/39/11/23/848391123.db2.gz IFZHWTVYWUQELM-UHFFFAOYSA-N 0 0 411.245 4.312 20 5 HIBDRN Cn1ccnc1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000043342628 848411601 /nfs/dbraw/zinc/41/16/01/848411601.db2.gz YJETWRHCJKZNSS-INIZCTEOSA-N 0 0 403.801 4.032 20 5 HIBDRN Cc1c(NC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000043348130 848412607 /nfs/dbraw/zinc/41/26/07/848412607.db2.gz LXCQSIDOXHBHRZ-UHFFFAOYSA-N 0 0 411.245 4.312 20 5 HIBDRN Cc1c(NC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000043347897 848412693 /nfs/dbraw/zinc/41/26/93/848412693.db2.gz KVVZLWYKGGFPJO-UHFFFAOYSA-N 0 0 406.845 4.045 20 5 HIBDRN CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000044051077 848507581 /nfs/dbraw/zinc/50/75/81/848507581.db2.gz WJBIKMKYXGXJPD-UHFFFAOYSA-N 0 0 414.437 4.181 20 5 HIBDRN CC(=O)c1ccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1 ZINC000044257548 848537554 /nfs/dbraw/zinc/53/75/54/848537554.db2.gz HTALXYNBJWNIBW-GOSISDBHSA-N 0 0 413.430 4.002 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000044539914 848566471 /nfs/dbraw/zinc/56/64/71/848566471.db2.gz IGMRQAIOCKJFIX-UHFFFAOYSA-N 0 0 400.410 4.208 20 5 HIBDRN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(OC(F)F)cc1 ZINC000044618393 848578941 /nfs/dbraw/zinc/57/89/41/848578941.db2.gz VOCZOMXUKWHYFO-AWEZNQCLSA-N 0 0 419.428 4.290 20 5 HIBDRN CCCOc1ccc([C@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000044738866 848596475 /nfs/dbraw/zinc/59/64/75/848596475.db2.gz LCRUBORTQKEOHO-AWEZNQCLSA-N 0 0 404.488 4.362 20 5 HIBDRN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc2ccccc2c2cccnc12 ZINC000044886914 848612548 /nfs/dbraw/zinc/61/25/48/848612548.db2.gz NGSPOTINBUTSKD-OAQYLSRUSA-N 0 0 417.534 4.253 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(c2ccccc2O)CC1 ZINC000044902582 848614074 /nfs/dbraw/zinc/61/40/74/848614074.db2.gz MNRDSWGXFCHNKP-UHFFFAOYSA-N 0 0 419.437 4.055 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1[N+](=O)[O-] ZINC000045355549 848669712 /nfs/dbraw/zinc/66/97/12/848669712.db2.gz PAOWROUYBPJDKT-UHFFFAOYSA-N 0 0 414.421 4.163 20 5 HIBDRN Cc1c([C@@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000045517938 848688085 /nfs/dbraw/zinc/68/80/85/848688085.db2.gz YMIPYDGEGRRTFK-CYBMUJFWSA-N 0 0 414.462 4.198 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000045715066 848716364 /nfs/dbraw/zinc/71/63/64/848716364.db2.gz ZMRXQMYGFARJFA-UHFFFAOYSA-N 0 0 404.728 4.207 20 5 HIBDRN O=c1[nH]c(-c2ccc(O)c(I)c2)nc2cc3ccccc3cc12 ZINC000436752497 861934920 /nfs/dbraw/zinc/93/49/20/861934920.db2.gz RPFDNCYDPIXGFU-UHFFFAOYSA-N 0 0 414.202 4.466 20 5 HIBDRN COc1ccc(Oc2cc(CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)ccn2)cc1 ZINC000046001203 848770150 /nfs/dbraw/zinc/77/01/50/848770150.db2.gz GOCCTTODAGKZDQ-UHFFFAOYSA-N 0 0 408.414 4.421 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1OC ZINC000046016811 848774051 /nfs/dbraw/zinc/77/40/51/848774051.db2.gz PFPPDJHNQWZGEN-UHFFFAOYSA-N 0 0 410.430 4.057 20 5 HIBDRN COc1ccc(C)cc1[C@H](C)NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000046168429 848794139 /nfs/dbraw/zinc/79/41/39/848794139.db2.gz PWBNWENFLYCKOE-AWEZNQCLSA-N 0 0 404.488 4.031 20 5 HIBDRN CCCOc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000046181977 848796690 /nfs/dbraw/zinc/79/66/90/848796690.db2.gz LRJQCIHFWYFVFX-UHFFFAOYSA-N 0 0 400.478 4.260 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000046190330 848799592 /nfs/dbraw/zinc/79/95/92/848799592.db2.gz IGVWGMOIKFCBTD-GOSISDBHSA-N 0 0 400.500 4.070 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCCc3cc(F)c(F)cc32)cc1[N+](=O)[O-] ZINC000046222948 848806462 /nfs/dbraw/zinc/80/64/62/848806462.db2.gz RMTDLFHIXBSZPZ-UHFFFAOYSA-N 0 0 408.426 4.094 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1[N+](=O)[O-] ZINC000046368612 848833537 /nfs/dbraw/zinc/83/35/37/848833537.db2.gz BLPODVLUYYWOPP-UHFFFAOYSA-N 0 0 403.847 4.080 20 5 HIBDRN O=C(Nc1cccc(OCc2cccnc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000046536704 848870575 /nfs/dbraw/zinc/87/05/75/848870575.db2.gz IVTGRPVAKOJJJL-UHFFFAOYSA-N 0 0 418.453 4.421 20 5 HIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000046568127 848875580 /nfs/dbraw/zinc/87/55/80/848875580.db2.gz VKBMOPSCQFHHAN-HZPDHXFCSA-N 0 0 422.510 4.483 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(Cn4cccn4)c3)cc2[N+](=O)[O-])C1 ZINC000046607206 848884685 /nfs/dbraw/zinc/88/46/85/848884685.db2.gz LWLYRPIWJYSORU-QGZVFWFLSA-N 0 0 419.485 4.328 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(COCCOc2ccccc2)c1 ZINC000046689497 848911332 /nfs/dbraw/zinc/91/13/32/848911332.db2.gz MQBRHIUXBOQQEE-UHFFFAOYSA-N 0 0 407.426 4.146 20 5 HIBDRN Cc1cccc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1[N+](=O)[O-] ZINC000046733729 848921796 /nfs/dbraw/zinc/92/17/96/848921796.db2.gz MZGXBYSHHVUKOP-UHFFFAOYSA-N 0 0 407.401 4.476 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[C@@H](CC)CC3)cc1OC ZINC000046783532 848933229 /nfs/dbraw/zinc/93/32/29/848933229.db2.gz KMKMIHRAPGSSPR-NSHDSACASA-N 0 0 405.476 4.226 20 5 HIBDRN COc1cccc(CSCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000046806808 848937890 /nfs/dbraw/zinc/93/78/90/848937890.db2.gz JDGRZTYRSQARRX-UHFFFAOYSA-N 0 0 411.277 4.238 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CSc3nnc4sc5ccccc5n34)n2)cc1 ZINC000046864982 848950550 /nfs/dbraw/zinc/95/05/50/848950550.db2.gz HKQWKMPNJPNVAN-UHFFFAOYSA-N 0 0 410.440 4.195 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000047190889 849001818 /nfs/dbraw/zinc/00/18/18/849001818.db2.gz RJBFVSDFYOKUPM-UHFFFAOYSA-N 0 0 415.789 4.111 20 5 HIBDRN O=C(NC1CC1)c1ccc(CN(Cc2csc([N+](=O)[O-])c2)Cc2ccco2)cc1 ZINC000047265922 849016788 /nfs/dbraw/zinc/01/67/88/849016788.db2.gz TVGTZLRQOVIQPB-UHFFFAOYSA-N 0 0 411.483 4.344 20 5 HIBDRN COc1ccc2cc(CN(C)Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)ccc2c1 ZINC000047406673 849041313 /nfs/dbraw/zinc/04/13/13/849041313.db2.gz XZBPMDARVKEBKG-UHFFFAOYSA-N 0 0 404.426 4.439 20 5 HIBDRN O=C(NCCCSc1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047718907 849097964 /nfs/dbraw/zinc/09/79/64/849097964.db2.gz TUWFAQBGBDXDGR-UHFFFAOYSA-N 0 0 414.405 4.448 20 5 HIBDRN CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047865098 849129355 /nfs/dbraw/zinc/12/93/55/849129355.db2.gz ULQNYWMETUNPBX-UHFFFAOYSA-N 0 0 417.372 4.046 20 5 HIBDRN O=C(NCc1coc(-c2cccs2)n1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047865147 849129554 /nfs/dbraw/zinc/12/95/54/849129554.db2.gz IBAQAVPAKYUNOX-UHFFFAOYSA-N 0 0 410.358 4.234 20 5 HIBDRN COc1cccc(-c2nc(CS(=O)(=O)Cc3cccc([N+](=O)[O-])c3C)cs2)c1 ZINC000048717646 849259338 /nfs/dbraw/zinc/25/93/38/849259338.db2.gz NCHNSPNNDLOWJJ-UHFFFAOYSA-N 0 0 418.496 4.150 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl ZINC000048734892 849260925 /nfs/dbraw/zinc/26/09/25/849260925.db2.gz MIZXEFYODDQBMD-MRVPVSSYSA-N 0 0 416.648 4.371 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000048842207 849273708 /nfs/dbraw/zinc/27/37/08/849273708.db2.gz OBNDLRPRHMRZNP-SECBINFHSA-N 0 0 414.220 4.165 20 5 HIBDRN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)C1 ZINC000049742440 849323655 /nfs/dbraw/zinc/32/36/55/849323655.db2.gz CMMJANFJBKFACN-GOSISDBHSA-N 0 0 415.537 4.499 20 5 HIBDRN O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050487676 849387464 /nfs/dbraw/zinc/38/74/64/849387464.db2.gz GBIJKEGBUUICNP-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(Oc3ccncc3)cc2)c([N+](=O)[O-])cc1OC ZINC000050489857 849387704 /nfs/dbraw/zinc/38/77/04/849387704.db2.gz KPPQZUDANVXQHY-UHFFFAOYSA-N 0 0 409.398 4.442 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(Cc3ccncc3)C3CC3)cc2[N+](=O)[O-])C1 ZINC000050822113 849413652 /nfs/dbraw/zinc/41/36/52/849413652.db2.gz RBPQYQFTTXWVJR-CALCHBBNSA-N 0 0 408.502 4.277 20 5 HIBDRN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000050894711 849418978 /nfs/dbraw/zinc/41/89/78/849418978.db2.gz ODACUSMTRATOCB-PGRDOPGGSA-N 0 0 409.486 4.409 20 5 HIBDRN O=C(NCc1nc(-c2ccccc2)c[nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051410864 849466575 /nfs/dbraw/zinc/46/65/75/849466575.db2.gz JLHSGHXFICZQGL-UHFFFAOYSA-N 0 0 405.439 4.038 20 5 HIBDRN CCN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000052310078 849569879 /nfs/dbraw/zinc/56/98/79/849569879.db2.gz VSOZZZPHPJXLEU-UHFFFAOYSA-N 0 0 412.273 4.241 20 5 HIBDRN COc1cc([C@@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCCO ZINC000052488651 849587201 /nfs/dbraw/zinc/58/72/01/849587201.db2.gz KRHCIBSBQIYFIW-LLVKDONJSA-N 0 0 400.353 4.166 20 5 HIBDRN 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CC(=O)N(c1nc(COc2cccnc2[N+](=O)[O-])cs1)c1ccc(Cl)cc1 ZINC000054913638 849941445 /nfs/dbraw/zinc/94/14/45/849941445.db2.gz SJKSLRHYXYGRIJ-UHFFFAOYSA-N 0 0 404.835 4.363 20 5 HIBDRN Cc1ccc(OCc2nnc(SCCCOc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000054916718 849942936 /nfs/dbraw/zinc/94/29/36/849942936.db2.gz SYKFBYFMGOIOBD-UHFFFAOYSA-N 0 0 401.444 4.426 20 5 HIBDRN Cc1sc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)nc1-c1ccc(Cl)cc1 ZINC000055427342 850021686 /nfs/dbraw/zinc/02/16/86/850021686.db2.gz WYOQBUBFEVYWQD-UHFFFAOYSA-N 0 0 402.863 4.314 20 5 HIBDRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000055453142 850027622 /nfs/dbraw/zinc/02/76/22/850027622.db2.gz DDCFAQZOOMWVHE-UHFFFAOYSA-N 0 0 408.376 4.092 20 5 HIBDRN C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000055464395 850032171 /nfs/dbraw/zinc/03/21/71/850032171.db2.gz RMOWAOXASZSZMB-LLVKDONJSA-N 0 0 418.862 4.268 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000055525540 850046154 /nfs/dbraw/zinc/04/61/54/850046154.db2.gz NCVNPMJHZSIERF-MRXNPFEDSA-N 0 0 410.861 4.281 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCc3c2cccc3Cl)c([N+](=O)[O-])cc1OC(F)F ZINC000055713482 850120791 /nfs/dbraw/zinc/12/07/91/850120791.db2.gz IGTNDJJEWRLVBI-CYBMUJFWSA-N 0 0 412.776 4.276 20 5 HIBDRN CC(C)N(Cc1ccccn1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000055738212 850130073 /nfs/dbraw/zinc/13/00/73/850130073.db2.gz KWIONFYJVKAFBF-UHFFFAOYSA-N 0 0 410.396 4.248 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1[N+](=O)[O-] ZINC000055753279 850135727 /nfs/dbraw/zinc/13/57/27/850135727.db2.gz BJFQQKGMJRVKMQ-UHFFFAOYSA-N 0 0 401.488 4.398 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000055771487 850147474 /nfs/dbraw/zinc/14/74/74/850147474.db2.gz OCZZDJKDFIQFSY-UHFFFAOYSA-N 0 0 409.373 4.004 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000055771360 850147701 /nfs/dbraw/zinc/14/77/01/850147701.db2.gz WFYXKNNCUUYHOZ-UHFFFAOYSA-N 0 0 409.373 4.247 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cccc(Br)c1 ZINC000055785248 850152456 /nfs/dbraw/zinc/15/24/56/850152456.db2.gz RATCNGUOMYHOHB-HNNXBMFYSA-N 0 0 405.248 4.100 20 5 HIBDRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000055797911 850156652 /nfs/dbraw/zinc/15/66/52/850156652.db2.gz HWOJOEBNWVXQFC-UHFFFAOYSA-N 0 0 417.874 4.143 20 5 HIBDRN Cc1cc(C(=O)N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)c(C)o1 ZINC000055807603 850161956 /nfs/dbraw/zinc/16/19/56/850161956.db2.gz QUWGYXFIEMVSGT-UHFFFAOYSA-N 0 0 413.477 4.196 20 5 HIBDRN O=C(NCCc1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000055865412 850184578 /nfs/dbraw/zinc/18/45/78/850184578.db2.gz QSDUASTZQPANDS-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000055902049 850202076 /nfs/dbraw/zinc/20/20/76/850202076.db2.gz GHMGONZMRVIWTM-UHFFFAOYSA-N 0 0 402.838 4.059 20 5 HIBDRN COc1ccc([C@H](N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000055941515 850210323 /nfs/dbraw/zinc/21/03/23/850210323.db2.gz IHPSGIVCYGDKNH-OPAMFIHVSA-N 0 0 405.454 4.310 20 5 HIBDRN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056109806 850244594 /nfs/dbraw/zinc/24/45/94/850244594.db2.gz BYDMBLCQBBKGEY-UHFFFAOYSA-N 0 0 416.441 4.313 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCO[C@H]2CCC[C@@H]21 ZINC000056195335 850278609 /nfs/dbraw/zinc/27/86/09/850278609.db2.gz SDIRQVIJYBCYAW-ICSRJNTNSA-N 0 0 415.877 4.254 20 5 HIBDRN O=C(NCCSCc1cccc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000056208948 850284983 /nfs/dbraw/zinc/28/49/83/850284983.db2.gz ZYQMLZCBXRMMHZ-UHFFFAOYSA-N 0 0 410.451 4.140 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000056251093 850297756 /nfs/dbraw/zinc/29/77/56/850297756.db2.gz JAXHLNAMKOZLOZ-HNNXBMFYSA-N 0 0 418.490 4.079 20 5 HIBDRN Cc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c(OC[C@H]2CCCO2)c1 ZINC000056303220 850317777 /nfs/dbraw/zinc/31/77/77/850317777.db2.gz FMMTTWAHJSFUSJ-LJQANCHMSA-N 0 0 413.474 4.292 20 5 HIBDRN CCOc1ccc(C2(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCOCC2)cc1 ZINC000056366618 850337373 /nfs/dbraw/zinc/33/73/73/850337373.db2.gz DUMAOEPYZLHPGL-UHFFFAOYSA-N 0 0 418.877 4.125 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000056517261 850381974 /nfs/dbraw/zinc/38/19/74/850381974.db2.gz QDMUYMCDDKWLKC-UHFFFAOYSA-N 0 0 415.247 4.429 20 5 HIBDRN O=C(c1cc(Oc2ccccc2)ccc1O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000436950815 862128521 /nfs/dbraw/zinc/12/85/21/862128521.db2.gz DDVARUHNGCVCIY-UHFFFAOYSA-N 0 0 419.437 4.055 20 5 HIBDRN C[C@H](NC(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056889120 850510505 /nfs/dbraw/zinc/51/05/05/850510505.db2.gz HDQWYRZCRJKGDL-KKSFZXQISA-N 0 0 418.453 4.335 20 5 HIBDRN C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)cn2)C[C@H](C)O1 ZINC000057138783 850559201 /nfs/dbraw/zinc/55/92/01/850559201.db2.gz OANZZZKVPQPGMI-BETUJISGSA-N 0 0 410.396 4.234 20 5 HIBDRN CC[C@H](C)Oc1cccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC000057299857 850602525 /nfs/dbraw/zinc/60/25/25/850602525.db2.gz KGYOBOZZPZSGDD-AWEZNQCLSA-N 0 0 413.430 4.099 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000058190381 850779590 /nfs/dbraw/zinc/77/95/90/850779590.db2.gz GGVZPHAHDKVTIS-UHFFFAOYSA-N 0 0 416.359 4.392 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4c[nH]c5cc([N+](=O)[O-])ccc45)CC3)c2c1 ZINC000058251411 850788236 /nfs/dbraw/zinc/78/82/36/850788236.db2.gz SGVYBAUXIOGMNU-UHFFFAOYSA-N 0 0 416.437 4.496 20 5 HIBDRN Nc1c(C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)cc(F)cc1[N+](=O)[O-] ZINC000058271840 850790434 /nfs/dbraw/zinc/79/04/34/850790434.db2.gz FDMFEAWXLHWFKC-UHFFFAOYSA-N 0 0 423.379 4.175 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H]2CCc3c2cccc3O)nc1N[C@H]1CCc2c1cccc2O ZINC000436996673 862169163 /nfs/dbraw/zinc/16/91/63/862169163.db2.gz DRVHYTATIDRLRW-ROUUACIJSA-N 0 0 418.453 4.600 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(OCCC(C)C)c(OC)c1 ZINC000058519572 850844170 /nfs/dbraw/zinc/84/41/70/850844170.db2.gz USPMPZAETRDGBA-UHFFFAOYSA-N 0 0 417.462 4.359 20 5 HIBDRN CN(C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000058550502 850853656 /nfs/dbraw/zinc/85/36/56/850853656.db2.gz XOUXXVLTAYLINV-UHFFFAOYSA-N 0 0 423.429 4.320 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Sc2nncs2)cc1 ZINC000058550943 850853837 /nfs/dbraw/zinc/85/38/37/850853837.db2.gz DBXNSLVBPMLKDM-UHFFFAOYSA-N 0 0 415.500 4.428 20 5 HIBDRN CC(C)(CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc2c(c1)OCO2 ZINC000058631151 850873762 /nfs/dbraw/zinc/87/37/62/850873762.db2.gz WKBBZEPXZFDKGF-UHFFFAOYSA-N 0 0 423.372 4.024 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000058702754 850895700 /nfs/dbraw/zinc/89/57/00/850895700.db2.gz QYBNEUVSKYXQBV-UONOGXRCSA-N 0 0 403.866 4.110 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(-n2cccn2)cc1 ZINC000437008165 862182541 /nfs/dbraw/zinc/18/25/41/862182541.db2.gz NVKRVJXASFOYLJ-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN O=C(NCc1ccccc1OC1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000059317706 850996332 /nfs/dbraw/zinc/99/63/32/850996332.db2.gz CBFULCJXOZFYKY-UHFFFAOYSA-N 0 0 406.442 4.032 20 5 HIBDRN COc1cc(-c2ccccc2)sc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000059360469 851000957 /nfs/dbraw/zinc/00/09/57/851000957.db2.gz SYIQUGKVPDLXLY-UHFFFAOYSA-N 0 0 423.494 4.294 20 5 HIBDRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000059786251 851012479 /nfs/dbraw/zinc/01/24/79/851012479.db2.gz BHMHNZZWPBNIQV-UHFFFAOYSA-N 0 0 402.410 4.279 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000059783531 851013023 /nfs/dbraw/zinc/01/30/23/851013023.db2.gz MQNLMNHVTQAFDS-UHFFFAOYSA-N 0 0 409.373 4.004 20 5 HIBDRN O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000059800070 851013710 /nfs/dbraw/zinc/01/37/10/851013710.db2.gz KKOCXACXTFZHKH-UHFFFAOYSA-N 0 0 422.485 4.228 20 5 HIBDRN COc1ccc(C(=O)NC2(c3cccc(Br)c3)CCC2)cc1[N+](=O)[O-] ZINC000059919664 851024246 /nfs/dbraw/zinc/02/42/46/851024246.db2.gz PTMNNOVZWURPEX-UHFFFAOYSA-N 0 0 405.248 4.175 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCc2ccc(Br)cc2)c1 ZINC000060063958 851036744 /nfs/dbraw/zinc/03/67/44/851036744.db2.gz HFTNKAAQFTXSMO-GFCCVEGCSA-N 0 0 407.264 4.117 20 5 HIBDRN Cc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1[N+](=O)[O-] ZINC000060238111 851053318 /nfs/dbraw/zinc/05/33/18/851053318.db2.gz WCIGQAFYLDGZLC-UHFFFAOYSA-N 0 0 413.437 4.081 20 5 HIBDRN Cc1nn(CCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000060364069 851078534 /nfs/dbraw/zinc/07/85/34/851078534.db2.gz HUPXWZATSPNNRW-UHFFFAOYSA-N 0 0 412.421 4.046 20 5 HIBDRN Cc1nn(CCC(=O)N(Cc2cccs2)Cc2cccs2)c(C)c1[N+](=O)[O-] ZINC000060364798 851079569 /nfs/dbraw/zinc/07/95/69/851079569.db2.gz KYJHMXZYEYQPGI-UHFFFAOYSA-N 0 0 404.517 4.150 20 5 HIBDRN COc1ccc(N(Cc2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000060386379 851085639 /nfs/dbraw/zinc/08/56/39/851085639.db2.gz IOIGNCSCSWIEMK-UHFFFAOYSA-N 0 0 412.467 4.307 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ncc1Br ZINC000437022778 862205104 /nfs/dbraw/zinc/20/51/04/862205104.db2.gz HFLPKOYGHBEIDV-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000060514321 851129430 /nfs/dbraw/zinc/12/94/30/851129430.db2.gz JPCRVGFDZOFGCX-UHFFFAOYSA-N 0 0 415.409 4.103 20 5 HIBDRN COc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000060514409 851129581 /nfs/dbraw/zinc/12/95/81/851129581.db2.gz QAAZDWPASOXOKJ-FQEVSTJZSA-N 0 0 419.437 4.103 20 5 HIBDRN Cc1c(CS(=O)(=O)Cc2ccc(Br)cc2Cl)cccc1[N+](=O)[O-] ZINC000060797627 851214937 /nfs/dbraw/zinc/21/49/37/851214937.db2.gz CKJYAVCHYUIZFI-UHFFFAOYSA-N 0 0 418.696 4.434 20 5 HIBDRN C[C@@H](Cc1c(F)cccc1F)NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000060823325 851222999 /nfs/dbraw/zinc/22/29/99/851222999.db2.gz RUQDCBALLIOZMM-JTQLQIEISA-N 0 0 418.318 4.018 20 5 HIBDRN Cc1cc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858344 851232444 /nfs/dbraw/zinc/23/24/44/851232444.db2.gz KTWWUXAXJKFQSE-LJQANCHMSA-N 0 0 418.453 4.473 20 5 HIBDRN CCN(CC)C(=O)c1ccc(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000060858996 851233530 /nfs/dbraw/zinc/23/35/30/851233530.db2.gz VMNBBILECIMWJW-UHFFFAOYSA-N 0 0 419.485 4.454 20 5 HIBDRN COc1ccc(CCCNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000060861755 851233684 /nfs/dbraw/zinc/23/36/84/851233684.db2.gz KKPIONRYPXSOIH-UHFFFAOYSA-N 0 0 408.458 4.422 20 5 HIBDRN Cc1cc(NCc2ccc(-n3ccnc3)c(F)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060861608 851233957 /nfs/dbraw/zinc/23/39/57/851233957.db2.gz DDGGVXSHRSTFEJ-UHFFFAOYSA-N 0 0 404.405 4.297 20 5 HIBDRN Cc1cc(NCc2ccc(N3CCCCC3)nc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060859581 851234034 /nfs/dbraw/zinc/23/40/34/851234034.db2.gz HYCCEAWYILPEIT-UHFFFAOYSA-N 0 0 404.474 4.358 20 5 HIBDRN Cc1cccn2cc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nc12 ZINC000060868320 851236184 /nfs/dbraw/zinc/23/61/84/851236184.db2.gz VWFBHDIEKOSKLL-UHFFFAOYSA-N 0 0 402.410 4.235 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000437036874 862225755 /nfs/dbraw/zinc/22/57/55/862225755.db2.gz ZQSUZVHVAKUGFG-KRWDZBQOSA-N 0 0 414.462 4.117 20 5 HIBDRN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)nc2c1 ZINC000061232975 851325453 /nfs/dbraw/zinc/32/54/53/851325453.db2.gz LEBFSUDHYZOFPF-IBGZPJMESA-N 0 0 405.458 4.331 20 5 HIBDRN CSc1ccc(Cl)cc1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000437043601 862235574 /nfs/dbraw/zinc/23/55/74/862235574.db2.gz VKYIZAAMANXYHO-UHFFFAOYSA-N 0 0 419.890 4.100 20 5 HIBDRN Cc1oc2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2c1C ZINC000437047905 862240530 /nfs/dbraw/zinc/24/05/30/862240530.db2.gz SLJJVHQRCSAOHC-UHFFFAOYSA-N 0 0 407.426 4.088 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000061994193 851487874 /nfs/dbraw/zinc/48/78/74/851487874.db2.gz TWAMYEVPBJFSBI-UHFFFAOYSA-N 0 0 423.400 4.090 20 5 HIBDRN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000062512335 851567246 /nfs/dbraw/zinc/56/72/46/851567246.db2.gz AUZOUNJSQMXMFJ-UHFFFAOYSA-N 0 0 406.373 4.333 20 5 HIBDRN CCCCc1nc(-c2cccc(Oc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c2)no1 ZINC000063254558 851641956 /nfs/dbraw/zinc/64/19/56/851641956.db2.gz XHWCFCUHEKHZBU-UHFFFAOYSA-N 0 0 417.443 4.183 20 5 HIBDRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(Oc2cccnc2)cc1 ZINC000063285963 851651257 /nfs/dbraw/zinc/65/12/57/851651257.db2.gz ADJFGFABOCQBNF-UHFFFAOYSA-N 0 0 407.382 4.196 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N(CCc1ccccc1)c1nc2ccccc2s1 ZINC000063569082 851716063 /nfs/dbraw/zinc/71/60/63/851716063.db2.gz JBILHZIYNFEJAZ-UHFFFAOYSA-N 0 0 421.482 4.067 20 5 HIBDRN CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000063633539 851730533 /nfs/dbraw/zinc/73/05/33/851730533.db2.gz KBYVXKBRXDUKLW-UHFFFAOYSA-N 0 0 401.394 4.467 20 5 HIBDRN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000063636630 851730653 /nfs/dbraw/zinc/73/06/53/851730653.db2.gz OVVYTDKBDMWBHN-UHFFFAOYSA-N 0 0 410.499 4.485 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000063677823 851739204 /nfs/dbraw/zinc/73/92/04/851739204.db2.gz ZTNBGHGYRGWALF-UHFFFAOYSA-N 0 0 400.438 4.231 20 5 HIBDRN CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000063788126 851763538 /nfs/dbraw/zinc/76/35/38/851763538.db2.gz AEQKTHBNGCUSES-UHFFFAOYSA-N 0 0 410.243 4.228 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(Oc2ccccc2)cc1 ZINC000063851005 851777507 /nfs/dbraw/zinc/77/75/07/851777507.db2.gz JSWHXZAGINFQCZ-UHFFFAOYSA-N 0 0 414.439 4.221 20 5 HIBDRN CS(=O)(=O)Cc1ccc(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000063992952 851811963 /nfs/dbraw/zinc/81/19/63/851811963.db2.gz NEGCFPKBUDMPBZ-UHFFFAOYSA-N 0 0 410.451 4.114 20 5 HIBDRN CCC[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000064090235 851826751 /nfs/dbraw/zinc/82/67/51/851826751.db2.gz HHSIZIRIKWLGGT-QGZVFWFLSA-N 0 0 424.284 4.289 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NCCSCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000064113155 851829314 /nfs/dbraw/zinc/82/93/14/851829314.db2.gz AUBPFBJLUQJVTF-UHFFFAOYSA-N 0 0 414.462 4.044 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1-n1cccn1 ZINC000437099775 862288076 /nfs/dbraw/zinc/28/80/76/862288076.db2.gz RIRDDHHQDURUBK-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000437101323 862290217 /nfs/dbraw/zinc/29/02/17/862290217.db2.gz UIROCKHOOOGOOR-VIFPVBQESA-N 0 0 418.397 4.083 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2F)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000064423464 851895479 /nfs/dbraw/zinc/89/54/79/851895479.db2.gz MROQEMMHHFFTQE-UHFFFAOYSA-N 0 0 424.384 4.336 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)c1 ZINC000064486392 851912125 /nfs/dbraw/zinc/91/21/25/851912125.db2.gz SPPVFHXPJFELSE-UHFFFAOYSA-N 0 0 408.458 4.305 20 5 HIBDRN Cc1cc(Br)cnc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437118124 862305300 /nfs/dbraw/zinc/30/53/00/862305300.db2.gz VROQPQHJPXFBQZ-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN CCCCOc1c(Cl)cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000064777680 851982725 /nfs/dbraw/zinc/98/27/25/851982725.db2.gz HLJDLQXPNDFDQI-UHFFFAOYSA-N 0 0 406.866 4.408 20 5 HIBDRN O=C(NCc1ccc(OC(F)F)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064897117 852014436 /nfs/dbraw/zinc/01/44/36/852014436.db2.gz UADLXTVBGBBSOQ-UHFFFAOYSA-N 0 0 405.382 4.250 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNc2ccc(C(=O)NC)cc2[N+](=O)[O-])cn1 ZINC000064914696 852019403 /nfs/dbraw/zinc/01/94/03/852019403.db2.gz XOOAZERZLPWDJZ-UHFFFAOYSA-N 0 0 422.441 4.153 20 5 HIBDRN CNC(=O)c1ccc(Nc2cccc(COCCOc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000064914714 852019912 /nfs/dbraw/zinc/01/99/12/852019912.db2.gz AECYARBORKHQOJ-UHFFFAOYSA-N 0 0 421.453 4.294 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(C)[C@H](Cc2ccc(F)cc2)C(C)C)cc([N+](=O)[O-])c1 ZINC000437123621 862311458 /nfs/dbraw/zinc/31/14/58/862311458.db2.gz KRYPLZPIJNGNRI-HXUWFJFHSA-N 0 0 416.449 4.250 20 5 HIBDRN O=C(CCc1cccc(Br)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437124372 862311786 /nfs/dbraw/zinc/31/17/86/862311786.db2.gz NZDLRJNCGXUOAL-UHFFFAOYSA-N 0 0 403.276 4.481 20 5 HIBDRN O=C(NCc1cc(-c2ccccc2)no1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065100674 852064079 /nfs/dbraw/zinc/06/40/79/852064079.db2.gz LLYGEZBQZWHJLN-UHFFFAOYSA-N 0 0 406.423 4.303 20 5 HIBDRN O=C(NCc1nnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437128822 862317245 /nfs/dbraw/zinc/31/72/45/862317245.db2.gz OYQAJBWOMOABPX-UHFFFAOYSA-N 0 0 408.361 4.062 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000065124122 852072730 /nfs/dbraw/zinc/07/27/30/852072730.db2.gz XBQRJZMORIHSDB-UHFFFAOYSA-N 0 0 412.449 4.420 20 5 HIBDRN O=C(NCCc1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000065126481 852073930 /nfs/dbraw/zinc/07/39/30/852073930.db2.gz NXNOGGJVQYBETJ-UHFFFAOYSA-N 0 0 423.856 4.473 20 5 HIBDRN O=C(NCCCOc1ccc(F)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065128198 852075000 /nfs/dbraw/zinc/07/50/00/852075000.db2.gz ALLSREJIBGZAME-UHFFFAOYSA-N 0 0 401.419 4.056 20 5 HIBDRN O=C(NCCc1c(Cl)cccc1Cl)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000065139532 852075025 /nfs/dbraw/zinc/07/50/25/852075025.db2.gz ACSNHHJRVXGARV-UHFFFAOYSA-N 0 0 405.241 4.060 20 5 HIBDRN O=C(NCCSCc1cccc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000065422367 852128321 /nfs/dbraw/zinc/12/83/21/852128321.db2.gz DPYCAFHMWSTILM-UHFFFAOYSA-N 0 0 424.478 4.182 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000065448902 852137390 /nfs/dbraw/zinc/13/73/90/852137390.db2.gz HPBSSHYEORQWMX-UHFFFAOYSA-N 0 0 419.363 4.429 20 5 HIBDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000065450372 852138293 /nfs/dbraw/zinc/13/82/93/852138293.db2.gz JASDBSVLRZAUQK-UHFFFAOYSA-N 0 0 424.501 4.140 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(OCc2ccccc2)cc1 ZINC000065511609 852161731 /nfs/dbraw/zinc/16/17/31/852161731.db2.gz VPHVCGPFBJAEJW-UHFFFAOYSA-N 0 0 405.454 4.216 20 5 HIBDRN O=C(c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1)N1CCOCC1 ZINC000437135518 862327529 /nfs/dbraw/zinc/32/75/29/862327529.db2.gz SIXBEVBCJNGYFO-UHFFFAOYSA-N 0 0 423.494 4.408 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)OC(C)(C)C3)cc2[N+](=O)[O-])n1 ZINC000065608008 852197214 /nfs/dbraw/zinc/19/72/14/852197214.db2.gz HRHZVEXRVHNSJE-LBPRGKRZSA-N 0 0 407.517 4.150 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000065685148 852218714 /nfs/dbraw/zinc/21/87/14/852218714.db2.gz NRQZTBUTSYGYRM-LBPRGKRZSA-N 0 0 405.501 4.149 20 5 HIBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(Cl)ccc1Oc1ccc(C)cc1 ZINC000065693924 852220489 /nfs/dbraw/zinc/22/04/89/852220489.db2.gz OLECKRHCOFYSGH-UHFFFAOYSA-N 0 0 400.822 4.493 20 5 HIBDRN COc1ccc([C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccc2)cc1 ZINC000065719378 852232996 /nfs/dbraw/zinc/23/29/96/852232996.db2.gz PIARRTQXPHZHNA-XMMPIXPASA-N 0 0 415.449 4.464 20 5 HIBDRN COc1ccc(CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@H](C)C2CC2)cc1 ZINC000065723450 852235763 /nfs/dbraw/zinc/23/57/63/852235763.db2.gz LZZNWCQPHXCYFT-MRXNPFEDSA-N 0 0 407.470 4.385 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCc2cc(Br)ccc21 ZINC000065736397 852239783 /nfs/dbraw/zinc/23/97/83/852239783.db2.gz LLZOWUNTSPBTNN-UHFFFAOYSA-N 0 0 414.259 4.291 20 5 HIBDRN Cc1ccccc1CN(Cc1cccnc1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065743670 852242306 /nfs/dbraw/zinc/24/23/06/852242306.db2.gz JPEWQOLDTCCXBJ-UHFFFAOYSA-N 0 0 414.465 4.482 20 5 HIBDRN O=C(NC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1)C1CCCCC1 ZINC000065784094 852255537 /nfs/dbraw/zinc/25/55/37/852255537.db2.gz CWOAPPSXPGCUOJ-UHFFFAOYSA-N 0 0 415.515 4.111 20 5 HIBDRN CCN(CCC(=O)OC)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000065810176 852264599 /nfs/dbraw/zinc/26/45/99/852264599.db2.gz SYVVYYSOVCUHGW-UHFFFAOYSA-N 0 0 406.822 4.066 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000437146397 862338667 /nfs/dbraw/zinc/33/86/67/862338667.db2.gz YQWVKFXRFUQRJE-NEPJUHHUSA-N 0 0 416.434 4.142 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000065867970 852292372 /nfs/dbraw/zinc/29/23/72/852292372.db2.gz GPRDURPOGHQSTD-UHFFFAOYSA-N 0 0 418.428 4.486 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000065872539 852295179 /nfs/dbraw/zinc/29/51/79/852295179.db2.gz GDLOZGXIYGJKDP-UHFFFAOYSA-N 0 0 408.845 4.269 20 5 HIBDRN COc1cc(OCC(=O)Nc2cc(Cl)ccc2N2CCCCC2)ccc1[N+](=O)[O-] ZINC000066015610 852355448 /nfs/dbraw/zinc/35/54/48/852355448.db2.gz JAOUNKNDCMLVGI-UHFFFAOYSA-N 0 0 419.865 4.265 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc1[N+](=O)[O-] ZINC000066035940 852360686 /nfs/dbraw/zinc/36/06/86/852360686.db2.gz QMPLFGFBGOLJLR-CQSZACIVSA-N 0 0 411.458 4.036 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000066043227 852363986 /nfs/dbraw/zinc/36/39/86/852363986.db2.gz GHEXGRYEFJHQFL-UHFFFAOYSA-N 0 0 409.427 4.222 20 5 HIBDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437161407 862354173 /nfs/dbraw/zinc/35/41/73/862354173.db2.gz XFSSWSFQVPFOKV-UHFFFAOYSA-N 0 0 421.375 4.410 20 5 HIBDRN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437161286 862354490 /nfs/dbraw/zinc/35/44/90/862354490.db2.gz RKAWWSCAFZHWRC-UHFFFAOYSA-N 0 0 407.348 4.102 20 5 HIBDRN Cc1nn(C[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000071838022 852415883 /nfs/dbraw/zinc/41/58/83/852415883.db2.gz DTGSTFLJGJVODG-HXUWFJFHSA-N 0 0 409.486 4.174 20 5 HIBDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437161228 862354796 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853370649 /nfs/dbraw/zinc/37/06/49/853370649.db2.gz WOJCZEBSQPLOHF-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1OC ZINC000137919629 853377564 /nfs/dbraw/zinc/37/75/64/853377564.db2.gz WWOCGMGASLOKMQ-UHFFFAOYSA-N 0 0 410.430 4.057 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 ZINC000138420277 853385470 /nfs/dbraw/zinc/38/54/70/853385470.db2.gz DHANPMGTFPVJLK-LLVKDONJSA-N 0 0 405.863 4.284 20 5 HIBDRN CC(C)CNC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000138459990 853387258 /nfs/dbraw/zinc/38/72/58/853387258.db2.gz ZMVOSYRUTFRQCW-ZDUSSCGKSA-N 0 0 419.865 4.040 20 5 HIBDRN Cc1cc(NCc2cccc(Cn3ccnc3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000140930763 853457056 /nfs/dbraw/zinc/45/70/56/853457056.db2.gz NGUCXUFINGFCAQ-UHFFFAOYSA-N 0 0 400.442 4.217 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000141447432 853472482 /nfs/dbraw/zinc/47/24/82/853472482.db2.gz 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COc1cc(OCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000147087216 853581862 /nfs/dbraw/zinc/58/18/62/853581862.db2.gz DEYFODBJXCPTMX-HXUWFJFHSA-N 0 0 416.430 4.089 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000147251787 853585314 /nfs/dbraw/zinc/58/53/14/853585314.db2.gz OVFHBGBXSXWVJB-IBGZPJMESA-N 0 0 414.458 4.135 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)c1 ZINC000147342113 853587056 /nfs/dbraw/zinc/58/70/56/853587056.db2.gz XFNKNZFRGCEFCG-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000148162188 853602097 /nfs/dbraw/zinc/60/20/97/853602097.db2.gz WKSSTXFWIVHMBB-UHFFFAOYSA-N 0 0 406.485 4.441 20 5 HIBDRN COC[C@@H](C)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000149347328 853624071 /nfs/dbraw/zinc/62/40/71/853624071.db2.gz UDHOZIXBHFYXTP-LBPRGKRZSA-N 0 0 408.838 4.061 20 5 HIBDRN Cc1nc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1Br ZINC000165394775 853651241 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NOWRPOJGYSLADJ-UHFFFAOYSA-N 0 0 424.501 4.110 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000303068822 854746562 /nfs/dbraw/zinc/74/65/62/854746562.db2.gz OAVYGDDTWHMIAC-OAQYLSRUSA-N 0 0 421.522 4.494 20 5 HIBDRN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000303074380 854748800 /nfs/dbraw/zinc/74/88/00/854748800.db2.gz YRYYWLIUOFMARI-UHFFFAOYSA-N 0 0 408.439 4.319 20 5 HIBDRN COc1c(C)cc(CN(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1C ZINC000303107871 854763966 /nfs/dbraw/zinc/76/39/66/854763966.db2.gz JSBFYTJUDZABGY-UHFFFAOYSA-N 0 0 412.895 4.003 20 5 HIBDRN CC(C)COC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccco1 ZINC000303110609 854765000 /nfs/dbraw/zinc/76/50/00/854765000.db2.gz KSWKGCDULCXLHG-FQEVSTJZSA-N 0 0 418.493 4.278 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000303128084 854774501 /nfs/dbraw/zinc/77/45/01/854774501.db2.gz JUMDIHRWKMIPQA-HZPDHXFCSA-N 0 0 421.563 4.252 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000303251921 854835936 /nfs/dbraw/zinc/83/59/36/854835936.db2.gz BMJBSIUCWIBENC-XMMPIXPASA-N 0 0 418.449 4.204 20 5 HIBDRN O=C(CCc1cc(Br)cs1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000303254154 854837887 /nfs/dbraw/zinc/83/78/87/854837887.db2.gz BXTUXLDBRSXFTC-UHFFFAOYSA-N 0 0 421.276 4.380 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(F)cc1Cl ZINC000303289694 854854377 /nfs/dbraw/zinc/85/43/77/854854377.db2.gz KKELBSUVVBGWKC-JTQLQIEISA-N 0 0 400.237 4.500 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)c1[N+](=O)[O-] ZINC000303320736 854870958 /nfs/dbraw/zinc/87/09/58/854870958.db2.gz AXDLYYQZKLLSTD-UHFFFAOYSA-N 0 0 416.384 4.380 20 5 HIBDRN O=[N+]([O-])c1cc(C[S@@](=O)Cc2csc(C3CCCCC3)n2)c2c(c1)COCO2 ZINC000303394520 854906618 /nfs/dbraw/zinc/90/66/18/854906618.db2.gz ZLHPGPACQYLADH-MUUNZHRXSA-N 0 0 422.528 4.414 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000303403016 854910288 /nfs/dbraw/zinc/91/02/88/854910288.db2.gz PGWZRBVRMYZEDC-UHFFFAOYSA-N 0 0 422.441 4.175 20 5 HIBDRN CC[C@H](C)Oc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000303416906 854918814 /nfs/dbraw/zinc/91/88/14/854918814.db2.gz BONNIHBDZODPRA-BBRMVZONSA-N 0 0 417.487 4.077 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000303449048 854947146 /nfs/dbraw/zinc/94/71/46/854947146.db2.gz JCMMCOHPNYTIDL-FQEVSTJZSA-N 0 0 407.426 4.225 20 5 HIBDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303456562 854956755 /nfs/dbraw/zinc/95/67/55/854956755.db2.gz KDQIYXPYUMJUSX-JTQLQIEISA-N 0 0 422.812 4.177 20 5 HIBDRN CC[C@H](C)CN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000303457072 854957612 /nfs/dbraw/zinc/95/76/12/854957612.db2.gz KWQOZELPVXNMCB-ZDUSSCGKSA-N 0 0 401.429 4.335 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000303472919 854969039 /nfs/dbraw/zinc/96/90/39/854969039.db2.gz NIIFOXBOJUIONF-UHFFFAOYSA-N 0 0 410.451 4.129 20 5 HIBDRN CCOc1ccc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000303512807 855001317 /nfs/dbraw/zinc/00/13/17/855001317.db2.gz OWFYFQSBJGJNLA-ORAYPTAESA-N 0 0 404.850 4.249 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N[C@H]2CCN(c3ccccc3F)C2=O)c([N+](=O)[O-])c1 ZINC000303526570 855013361 /nfs/dbraw/zinc/01/33/61/855013361.db2.gz QLHXHQSDTMLURQ-IBGZPJMESA-N 0 0 419.412 4.182 20 5 HIBDRN CCCCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H](CC)c1ccccc1 ZINC000303594750 855067432 /nfs/dbraw/zinc/06/74/32/855067432.db2.gz SZRAGLPAUWOWLM-HXUWFJFHSA-N 0 0 418.515 4.392 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000303612187 855077248 /nfs/dbraw/zinc/07/72/48/855077248.db2.gz LOYFGXVXJONVNE-MRXNPFEDSA-N 0 0 408.483 4.117 20 5 HIBDRN CC(C)C[C@@H]1COCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000303662073 855114013 /nfs/dbraw/zinc/11/40/13/855114013.db2.gz VTNRAWOKSRVFHA-SJLPKXTDSA-N 0 0 412.490 4.050 20 5 HIBDRN COc1cc(OCC(=O)NCc2ccc(-c3cccc(C)c3)cc2)ccc1[N+](=O)[O-] ZINC000303676928 855126170 /nfs/dbraw/zinc/12/61/70/855126170.db2.gz LFUXNARJIUEPPT-UHFFFAOYSA-N 0 0 406.438 4.274 20 5 HIBDRN CC[C@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000303745126 855167379 /nfs/dbraw/zinc/16/73/79/855167379.db2.gz JQEMEVBJMMLLOF-INIZCTEOSA-N 0 0 410.442 4.382 20 5 HIBDRN Cc1nn(CCC(=O)Nc2cc(C)ccc2SCC(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000303749263 855172026 /nfs/dbraw/zinc/17/20/26/855172026.db2.gz DXMQYBMHQKNTOG-UHFFFAOYSA-N 0 0 416.425 4.400 20 5 HIBDRN O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303760946 855180901 /nfs/dbraw/zinc/18/09/01/855180901.db2.gz OJVCCYHHSUMABX-RTWAWAEBSA-N 0 0 407.514 4.339 20 5 HIBDRN O=C(COc1ccc(Cl)c2cccnc12)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000303768872 855186826 /nfs/dbraw/zinc/18/68/26/855186826.db2.gz GRTVQNZWKXORLQ-UHFFFAOYSA-N 0 0 413.861 4.314 20 5 HIBDRN CC[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccs1 ZINC000303801653 855206532 /nfs/dbraw/zinc/20/65/32/855206532.db2.gz XABHBQQTMIEVHU-LLVKDONJSA-N 0 0 402.398 4.140 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(c1cccc(Br)c1)C1CCCCC1 ZINC000303803776 855208832 /nfs/dbraw/zinc/20/88/32/855208832.db2.gz MDFTWWWXBIGKCM-UHFFFAOYSA-N 0 0 421.295 4.228 20 5 HIBDRN Cc1ccc(NCCCNC(=O)c2cc(Br)ccc2F)c([N+](=O)[O-])c1 ZINC000303831702 855230341 /nfs/dbraw/zinc/23/03/41/855230341.db2.gz QZAYEUNJBSUPGF-UHFFFAOYSA-N 0 0 410.243 4.037 20 5 HIBDRN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Cc1cccc([N+](=O)[O-])c1)OCCO3 ZINC000303840211 855238392 /nfs/dbraw/zinc/23/83/92/855238392.db2.gz BMGNGMCHHKPMGT-INIZCTEOSA-N 0 0 422.481 4.324 20 5 HIBDRN COc1ccc(CSCC(=O)NCc2ccc(-c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000437368184 862660942 /nfs/dbraw/zinc/66/09/42/862660942.db2.gz AZTPSRXXLRGTLZ-UHFFFAOYSA-N 0 0 423.494 4.215 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1C ZINC000303938952 855304801 /nfs/dbraw/zinc/30/48/01/855304801.db2.gz SGSVSCPCMZXPLF-CYBMUJFWSA-N 0 0 407.264 4.230 20 5 HIBDRN CC(C)[C@H](NC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000303955735 855318866 /nfs/dbraw/zinc/31/88/66/855318866.db2.gz XERIMZIZPKZLKX-SFHVURJKSA-N 0 0 407.264 4.250 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000303968504 855328306 /nfs/dbraw/zinc/32/83/06/855328306.db2.gz DQBNRPJEFFUTKG-UHFFFAOYSA-N 0 0 401.850 4.056 20 5 HIBDRN Cn1cc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)n2)cn1 ZINC000303967383 855328383 /nfs/dbraw/zinc/32/83/83/855328383.db2.gz YYIOOQRISLJXFL-UHFFFAOYSA-N 0 0 421.438 4.496 20 5 HIBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000304043954 855344539 /nfs/dbraw/zinc/34/45/39/855344539.db2.gz OEHMCGCYZCSXBS-LJQANCHMSA-N 0 0 403.429 4.091 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@H](C)OC[C@@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000437371386 862668848 /nfs/dbraw/zinc/66/88/48/862668848.db2.gz IHFQBEUEUOKFJT-IEGUWTFLSA-N 0 0 423.513 4.433 20 5 HIBDRN Cc1c(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cccc1[N+](=O)[O-] ZINC000319403402 855385142 /nfs/dbraw/zinc/38/51/42/855385142.db2.gz FQDNBXGLNHLXQE-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1I ZINC000319114744 855385302 /nfs/dbraw/zinc/38/53/02/855385302.db2.gz FUUCWFOXEGOQCW-LLVKDONJSA-N 0 0 410.211 4.250 20 5 HIBDRN Cc1ccc(I)cc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000319253867 855385397 /nfs/dbraw/zinc/38/53/97/855385397.db2.gz YOLIMKONDFCVLN-LLVKDONJSA-N 0 0 410.211 4.250 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C)c1I ZINC000319605811 855385917 /nfs/dbraw/zinc/38/59/17/855385917.db2.gz XYWTXFLZQGLQTP-UHFFFAOYSA-N 0 0 410.211 4.323 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1C(F)(F)F ZINC000326227626 855408192 /nfs/dbraw/zinc/40/81/92/855408192.db2.gz IJCZXKOIRYYXAJ-UHFFFAOYSA-N 0 0 403.154 4.306 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)cccc1[N+](=O)[O-] ZINC000393007365 855467982 /nfs/dbraw/zinc/46/79/82/855467982.db2.gz JYTSOYSVYNZHSE-UHFFFAOYSA-N 0 0 420.141 4.090 20 5 HIBDRN COc1ccc([C@H]2C[C@H](Nc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])C2)cc1F ZINC000409515614 855518063 /nfs/dbraw/zinc/51/80/63/855518063.db2.gz DUUHIJIBJZIVEO-WKILWMFISA-N 0 0 424.432 4.065 20 5 HIBDRN O=c1ccccn1C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000409523218 855521705 /nfs/dbraw/zinc/52/17/05/855521705.db2.gz UQVQQGNCWYZQDZ-KRWDZBQOSA-N 0 0 414.259 4.372 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000409582764 855552272 /nfs/dbraw/zinc/55/22/72/855552272.db2.gz SEJDHVRWALNHMF-SDBXPKJASA-N 0 0 417.256 4.064 20 5 HIBDRN CCC[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000409590086 855555264 /nfs/dbraw/zinc/55/52/64/855555264.db2.gz BYBRXFGVNREGAB-INIZCTEOSA-N 0 0 417.535 4.353 20 5 HIBDRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000409666202 855592676 /nfs/dbraw/zinc/59/26/76/855592676.db2.gz NWLUDGRXWLHPIA-UHFFFAOYSA-N 0 0 417.680 4.093 20 5 HIBDRN C[C@@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000409696320 855606681 /nfs/dbraw/zinc/60/66/81/855606681.db2.gz HCDQTLUDPQYQTF-BDJLRTHQSA-N 0 0 420.263 4.241 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCc3c(C)cc(C)cc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000409786465 855653436 /nfs/dbraw/zinc/65/34/36/855653436.db2.gz SKLJYLNOASXLIS-UHFFFAOYSA-N 0 0 406.486 4.312 20 5 HIBDRN Cc1ccc(-n2nc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c3c2CCC3)c(F)c1 ZINC000409824348 855673846 /nfs/dbraw/zinc/67/38/46/855673846.db2.gz UKLGGTLREXLYRQ-CQSZACIVSA-N 0 0 408.433 4.208 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000409823591 855673877 /nfs/dbraw/zinc/67/38/77/855673877.db2.gz RWPKGADSQBBBKM-ZLFYYGENSA-N 0 0 410.470 4.298 20 5 HIBDRN O=C(Cc1c(F)ccc(Br)c1F)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000409933071 855731837 /nfs/dbraw/zinc/73/18/37/855731837.db2.gz PXIBMGUDHYUWHX-UHFFFAOYSA-N 0 0 422.185 4.365 20 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/nfs/dbraw/zinc/81/31/70/855813170.db2.gz MFTDGTITJOBYAI-UHFFFAOYSA-N 0 0 415.402 4.271 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3C[C@@H](C)OC[C@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000437393304 862723902 /nfs/dbraw/zinc/72/39/02/862723902.db2.gz QPBCRMHINKKFMB-JPYJTQIMSA-N 0 0 423.513 4.433 20 5 HIBDRN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000410117195 855827638 /nfs/dbraw/zinc/82/76/38/855827638.db2.gz LMZLDYSXXNWVAG-UHFFFAOYSA-N 0 0 421.247 4.194 20 5 HIBDRN C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1 ZINC000410214887 855865589 /nfs/dbraw/zinc/86/55/89/855865589.db2.gz MKXRTYGJIZKDSR-LBPRGKRZSA-N 0 0 424.238 4.123 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)[C@H]2CCOC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000410232521 855873466 /nfs/dbraw/zinc/87/34/66/855873466.db2.gz SEZYKVFSQPEOCJ-OCCSQVGLSA-N 0 0 420.849 4.204 20 5 HIBDRN O=C(Nc1ccc(N2CCC2=O)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000410247695 855880653 /nfs/dbraw/zinc/88/06/53/855880653.db2.gz VFASJZPOCBYUSK-UHFFFAOYSA-N 0 0 416.437 4.196 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H]2CCOc3c(Br)cccc32)cc1[N+](=O)[O-] ZINC000410250267 855881437 /nfs/dbraw/zinc/88/14/37/855881437.db2.gz DQQKBRXTUWKFOO-AWEZNQCLSA-N 0 0 421.247 4.010 20 5 HIBDRN CCCn1nccc1C1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC000410256841 855885456 /nfs/dbraw/zinc/88/54/56/855885456.db2.gz LWWCADVFWOXBQB-UHFFFAOYSA-N 0 0 410.396 4.240 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)cc(=O)[nH]1 ZINC000437397746 862738450 /nfs/dbraw/zinc/73/84/50/862738450.db2.gz VDAIULRYUPNBSS-UHFFFAOYSA-N 0 0 419.441 4.262 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000410264819 855889463 /nfs/dbraw/zinc/88/94/63/855889463.db2.gz KVVASWJGJGZDGI-OAHLLOKOSA-N 0 0 414.531 4.259 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000410304672 855916982 /nfs/dbraw/zinc/91/69/82/855916982.db2.gz TUDUAISBRITVFQ-UHFFFAOYSA-N 0 0 418.453 4.189 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2s1 ZINC000410382691 855964482 /nfs/dbraw/zinc/96/44/82/855964482.db2.gz NKEAAWSDXWQCGI-SNVBAGLBSA-N 0 0 403.847 4.279 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000410388177 855967579 /nfs/dbraw/zinc/96/75/79/855967579.db2.gz AYWIZCZIPKSRQM-UHFFFAOYSA-N 0 0 404.341 4.406 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000410392001 855969408 /nfs/dbraw/zinc/96/94/08/855969408.db2.gz WXPSCBPCEGJRAT-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN O=C(NCc1ccc(F)cc1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000425975783 856026404 /nfs/dbraw/zinc/02/64/04/856026404.db2.gz HJGGKQBBIDVWSY-UHFFFAOYSA-N 0 0 422.254 4.371 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc2[nH]ccc21 ZINC000425987774 856033630 /nfs/dbraw/zinc/03/36/30/856033630.db2.gz KYSKBLPLQBIOEX-UHFFFAOYSA-N 0 0 411.417 4.202 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426004579 856041387 /nfs/dbraw/zinc/04/13/87/856041387.db2.gz PQBBMFSJORFMAD-DENIHFKCSA-N 0 0 409.486 4.437 20 5 HIBDRN Cc1csc([C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C2CC2)n1 ZINC000426011584 856045951 /nfs/dbraw/zinc/04/59/51/856045951.db2.gz XAKPOFZUWKPYPR-CQSZACIVSA-N 0 0 414.409 4.329 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426018961 856050312 /nfs/dbraw/zinc/05/03/12/856050312.db2.gz QYGMQRNPKHVXQY-UHFFFAOYSA-N 0 0 423.448 4.102 20 5 HIBDRN O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000426044853 856069361 /nfs/dbraw/zinc/06/93/61/856069361.db2.gz UHAVCESXBKOAKB-CQSZACIVSA-N 0 0 407.879 4.291 20 5 HIBDRN CC(C)CNC(=O)c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437404197 862755354 /nfs/dbraw/zinc/75/53/54/862755354.db2.gz MGYVWOAVJBQSHH-UHFFFAOYSA-N 0 0 410.474 4.177 20 5 HIBDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426103959 856109183 /nfs/dbraw/zinc/10/91/83/856109183.db2.gz PFJFHXLEULWFMS-UHFFFAOYSA-N 0 0 424.501 4.486 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cnc(C3CCCC3)nc2N)no1 ZINC000426192753 856167112 /nfs/dbraw/zinc/16/71/12/856167112.db2.gz CKLGOHLIJZMYJX-NSHDSACASA-N 0 0 412.475 4.528 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCOc2c(F)cccc21 ZINC000426227792 856189998 /nfs/dbraw/zinc/18/99/98/856189998.db2.gz RFORDAXNXNDVGW-HNNXBMFYSA-N 0 0 413.327 4.076 20 5 HIBDRN O=C(NC1CCC(c2ccc(F)cc2)CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000426246108 856200086 /nfs/dbraw/zinc/20/00/86/856200086.db2.gz YRMXAJLBJJXMEX-UHFFFAOYSA-N 0 0 415.469 4.003 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000426273032 856213916 /nfs/dbraw/zinc/21/39/16/856213916.db2.gz CKDUWYYFZFMYKW-UHFFFAOYSA-N 0 0 420.903 4.421 20 5 HIBDRN COc1ccccc1[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426273695 856214645 /nfs/dbraw/zinc/21/46/45/856214645.db2.gz JFAFACDQUDEETR-AWEZNQCLSA-N 0 0 423.391 4.321 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCN(c2ccccc2)CC1 ZINC000426276598 856215357 /nfs/dbraw/zinc/21/53/57/856215357.db2.gz GUDIXNJZKDKZCF-UHFFFAOYSA-N 0 0 422.407 4.036 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000426277159 856215638 /nfs/dbraw/zinc/21/56/38/856215638.db2.gz RXRHPWGKHDJJEE-UHFFFAOYSA-N 0 0 418.862 4.098 20 5 HIBDRN CN(CC1(c2ccccc2)CC1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426282051 856218421 /nfs/dbraw/zinc/21/84/21/856218421.db2.gz QBPNPNJGIUDOPC-UHFFFAOYSA-N 0 0 407.392 4.487 20 5 HIBDRN COC(=O)c1nc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)sc1C(C)C ZINC000426359288 856257909 /nfs/dbraw/zinc/25/79/09/856257909.db2.gz CCUAZYZTZLZLHH-UHFFFAOYSA-N 0 0 421.478 4.300 20 5 HIBDRN O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000426433196 856287752 /nfs/dbraw/zinc/28/77/52/856287752.db2.gz MELLXFQUHHFIBT-UHFFFAOYSA-N 0 0 418.438 4.178 20 5 HIBDRN Cc1nc([C@H]2CCCOC2)sc1-c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000426458637 856301318 /nfs/dbraw/zinc/30/13/18/856301318.db2.gz JVDVWPXDEFRAOG-AWEZNQCLSA-N 0 0 400.460 4.203 20 5 HIBDRN CC(C)(C)Oc1ccc(-c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)nc1 ZINC000426553725 856345312 /nfs/dbraw/zinc/34/53/12/856345312.db2.gz FCBYNQUQUCWMKQ-UHFFFAOYSA-N 0 0 406.402 4.070 20 5 HIBDRN COC[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000426615689 856374262 /nfs/dbraw/zinc/37/42/62/856374262.db2.gz MLVKXBFDTXCNTL-IBGZPJMESA-N 0 0 403.866 4.310 20 5 HIBDRN Cc1cccc(C[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])c1 ZINC000426665208 856401993 /nfs/dbraw/zinc/40/19/93/856401993.db2.gz JFAZTZZQBPTDGF-KRWDZBQOSA-N 0 0 411.483 4.060 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000426685167 856412156 /nfs/dbraw/zinc/41/21/56/856412156.db2.gz GQJGPBPQFODHIP-OAHLLOKOSA-N 0 0 404.264 4.074 20 5 HIBDRN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426690188 856415580 /nfs/dbraw/zinc/41/55/80/856415580.db2.gz ZZASWKAWYZCQCJ-UHFFFAOYSA-N 0 0 422.437 4.170 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@H](Nc2ccccc2)C1 ZINC000426699803 856419440 /nfs/dbraw/zinc/41/94/40/856419440.db2.gz MPUQIPQSRIPBHS-HNNXBMFYSA-N 0 0 423.391 4.253 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](Nc2ccccc2)C1 ZINC000426715041 856429837 /nfs/dbraw/zinc/42/98/37/856429837.db2.gz POBLTWUWMOWOEW-KRWDZBQOSA-N 0 0 403.866 4.120 20 5 HIBDRN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl ZINC000426733556 856442110 /nfs/dbraw/zinc/44/21/10/856442110.db2.gz YNVCRYCJKCSWIH-LLVKDONJSA-N 0 0 403.287 4.026 20 5 HIBDRN O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426747224 856451481 /nfs/dbraw/zinc/45/14/81/856451481.db2.gz NTVPUTGZZVOFKU-GOSISDBHSA-N 0 0 418.808 4.433 20 5 HIBDRN CC(C)(C)[C@H](CC(=O)[O-])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426787987 856477526 /nfs/dbraw/zinc/47/75/26/856477526.db2.gz JIBMWFHZGRLTHQ-FQEVSTJZSA-N 0 0 422.485 4.427 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CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000427171752 856689153 /nfs/dbraw/zinc/68/91/53/856689153.db2.gz SDAQYGRIKJHBLO-NRFANRHFSA-N 0 0 419.485 4.397 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOc2ccncc21 ZINC000427172956 856689397 /nfs/dbraw/zinc/68/93/97/856689397.db2.gz UJCIXSKJJJKXAP-UHFFFAOYSA-N 0 0 411.801 4.475 20 5 HIBDRN CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427182304 856697024 /nfs/dbraw/zinc/69/70/24/856697024.db2.gz NQTKEGWCFRVMNS-UHFFFAOYSA-N 0 0 411.227 4.167 20 5 HIBDRN COc1cc(C(=O)Nc2cc(CCc3ccccc3)ccn2)c([N+](=O)[O-])cc1OC ZINC000427230864 856725960 /nfs/dbraw/zinc/72/59/60/856725960.db2.gz HZMQFONOVLGSQJ-UHFFFAOYSA-N 0 0 407.426 4.045 20 5 HIBDRN O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437479624 862839306 /nfs/dbraw/zinc/83/93/06/862839306.db2.gz VSIIHFYIPJDBCJ-UHFFFAOYSA-N 0 0 403.442 4.062 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000427390370 856804131 /nfs/dbraw/zinc/80/41/31/856804131.db2.gz JKCKFBFAVNYWQO-GJZGRUSLSA-N 0 0 410.396 4.238 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000427440180 856820717 /nfs/dbraw/zinc/82/07/17/856820717.db2.gz XNYSYHBSEJJHNG-OAQYLSRUSA-N 0 0 401.422 4.004 20 5 HIBDRN CCn1cc(-c2n[nH]cc2C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000427466935 856832873 /nfs/dbraw/zinc/83/28/73/856832873.db2.gz OGGYRWOQDLDMAL-UHFFFAOYSA-N 0 0 418.413 4.246 20 5 HIBDRN Cc1ccc(C)n1-c1nc(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cs1 ZINC000427591039 856880318 /nfs/dbraw/zinc/88/03/18/856880318.db2.gz GSRUILVAGMFLII-UHFFFAOYSA-N 0 0 410.499 4.193 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)C[C@H](C)O1 ZINC000427594742 856882276 /nfs/dbraw/zinc/88/22/76/856882276.db2.gz RGIBUTVSKIQCLX-HDICACEKSA-N 0 0 423.513 4.009 20 5 HIBDRN C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000427698195 856914046 /nfs/dbraw/zinc/91/40/46/856914046.db2.gz SNWVXRGCHCCWOF-INIZCTEOSA-N 0 0 405.454 4.274 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)cc1[N+](=O)[O-] ZINC000437496397 862852462 /nfs/dbraw/zinc/85/24/62/862852462.db2.gz NOJFHALHIRHEDA-UHFFFAOYSA-N 0 0 415.409 4.308 20 5 HIBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCC[C@@H]1CO ZINC000427823305 856971057 /nfs/dbraw/zinc/97/10/57/856971057.db2.gz FOZXIOLESZJWKX-XSVZSIDJSA-N 0 0 423.494 4.119 20 5 HIBDRN C[C@H]1[C@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000427822446 856971132 /nfs/dbraw/zinc/97/11/32/856971132.db2.gz QSUCIONHLDGBOB-JSGCOSHPSA-N 0 0 406.891 4.242 20 5 HIBDRN Cc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ncc1Br ZINC000427836505 856975207 /nfs/dbraw/zinc/97/52/07/856975207.db2.gz CVQBSCNOUCUFMO-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000437508276 862858349 /nfs/dbraw/zinc/85/83/49/862858349.db2.gz PBKUJKYAXJVDML-RZDIXWSQSA-N 0 0 401.413 4.149 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000427885396 856993826 /nfs/dbraw/zinc/99/38/26/856993826.db2.gz LVZZXARODYWOKS-UHFFFAOYSA-N 0 0 409.467 4.476 20 5 HIBDRN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(C(F)(F)F)cc1 ZINC000427892875 856995678 /nfs/dbraw/zinc/99/56/78/856995678.db2.gz DWIUKMDEENPEEW-GFCCVEGCSA-N 0 0 419.359 4.418 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCS[C@@H](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000427921272 857008778 /nfs/dbraw/zinc/00/87/78/857008778.db2.gz FDEUECJXLSCHGI-LSDHHAIUSA-N 0 0 400.504 4.131 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CCSc2ccc(F)cc21 ZINC000427924316 857009871 /nfs/dbraw/zinc/00/98/71/857009871.db2.gz JKGKJTNDHIGDAE-HNNXBMFYSA-N 0 0 413.430 4.014 20 5 HIBDRN CN(Cc1cccc2ccccc21)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427926106 857011085 /nfs/dbraw/zinc/01/10/85/857011085.db2.gz WKCRUHKYLYAGTN-UHFFFAOYSA-N 0 0 401.422 4.334 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(CC(F)(F)F)C1CCC1 ZINC000427937383 857014147 /nfs/dbraw/zinc/01/41/47/857014147.db2.gz IMBYFVFUFZXYOC-UHFFFAOYSA-N 0 0 400.275 4.093 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CC[C@@H](OCc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000427981190 857031870 /nfs/dbraw/zinc/03/18/70/857031870.db2.gz OASQCPNBGQCWSB-HXUWFJFHSA-N 0 0 403.438 4.016 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccccc2F)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000428049751 857055269 /nfs/dbraw/zinc/05/52/69/857055269.db2.gz ULSXIFWLHPZMDR-UHFFFAOYSA-N 0 0 406.373 4.333 20 5 HIBDRN COC(=O)[C@@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000428049905 857056226 /nfs/dbraw/zinc/05/62/26/857056226.db2.gz QFKZBBUDRFCVHB-SFHVURJKSA-N 0 0 408.401 4.324 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000428077290 857065069 /nfs/dbraw/zinc/06/50/69/857065069.db2.gz KUMATZRNOMWJDR-AWEZNQCLSA-N 0 0 404.850 4.086 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(Br)c(F)cc1F ZINC000428205936 857110118 /nfs/dbraw/zinc/11/01/18/857110118.db2.gz QWOUKYHXMHQMJF-UHFFFAOYSA-N 0 0 423.116 4.489 20 5 HIBDRN Cc1sc(NC(=O)c2cn(C)c(=O)c3ccccc23)nc1-c1cccc([N+](=O)[O-])c1 ZINC000428246515 857125209 /nfs/dbraw/zinc/12/52/09/857125209.db2.gz LZXNVLKPJZHNJZ-UHFFFAOYSA-N 0 0 420.450 4.131 20 5 HIBDRN COC(=O)[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)c(C)c1 ZINC000428394237 857188008 /nfs/dbraw/zinc/18/80/08/857188008.db2.gz AJFNXYWEUNUQFF-GOSISDBHSA-N 0 0 415.446 4.170 20 5 HIBDRN COC(=O)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)c(C)c1 ZINC000428394239 857188222 /nfs/dbraw/zinc/18/82/22/857188222.db2.gz AJFNXYWEUNUQFF-SFHVURJKSA-N 0 0 415.446 4.170 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)(C(C)C)CC1 ZINC000428418198 857198099 /nfs/dbraw/zinc/19/80/99/857198099.db2.gz FACTWULYFINKCT-UHFFFAOYSA-N 0 0 408.520 4.148 20 5 HIBDRN CC(C)(c1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(F)(F)F ZINC000428431505 857201753 /nfs/dbraw/zinc/20/17/53/857201753.db2.gz UNTNETWYXFAIIG-UHFFFAOYSA-N 0 0 423.391 4.193 20 5 HIBDRN CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000428510900 857233285 /nfs/dbraw/zinc/23/32/85/857233285.db2.gz OCASKSANENRYQW-UHFFFAOYSA-N 0 0 406.320 4.208 20 5 HIBDRN CS(=O)(=O)c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000428533639 857247004 /nfs/dbraw/zinc/24/70/04/857247004.db2.gz DOCYYVMGYLKMKN-UHFFFAOYSA-N 0 0 420.874 4.202 20 5 HIBDRN Cc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1OCc1cccc(Cl)c1 ZINC000428577913 857270920 /nfs/dbraw/zinc/27/09/20/857270920.db2.gz AKOPJVSBMAJROZ-UHFFFAOYSA-N 0 0 400.822 4.121 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccccc2Br)c2ccncc21 ZINC000428683440 857296665 /nfs/dbraw/zinc/29/66/65/857296665.db2.gz SFMHUQYSKDFQMV-ZDUSSCGKSA-N 0 0 416.275 4.169 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000437582442 862898413 /nfs/dbraw/zinc/89/84/13/862898413.db2.gz UYSUGMPKFPOCMX-IBGZPJMESA-N 0 0 418.444 4.482 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000429063263 857488753 /nfs/dbraw/zinc/48/87/53/857488753.db2.gz SYIKVUACNYVIAB-HNNXBMFYSA-N 0 0 419.503 4.109 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)cc1[N+](=O)[O-] ZINC000429066063 857489592 /nfs/dbraw/zinc/48/95/92/857489592.db2.gz UENKJFQZSJBKNK-INIZCTEOSA-N 0 0 410.474 4.330 20 5 HIBDRN CC(C)(NCc1nc(-c2cc(Br)cs2)no1)c1ccccc1[N+](=O)[O-] ZINC000429225864 857562719 /nfs/dbraw/zinc/56/27/19/857562719.db2.gz HYGBWXWXMXVHEF-UHFFFAOYSA-N 0 0 423.292 4.494 20 5 HIBDRN CC(C)(NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000429258097 857578766 /nfs/dbraw/zinc/57/87/66/857578766.db2.gz VELJVAMVACCPPJ-UHFFFAOYSA-N 0 0 413.808 4.313 20 5 HIBDRN CCCc1c(NC(=O)CCNc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000429258246 857578882 /nfs/dbraw/zinc/57/88/82/857578882.db2.gz QIUFMSQABNCMJE-UHFFFAOYSA-N 0 0 411.437 4.313 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2C(=O)CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429259421 857579717 /nfs/dbraw/zinc/57/97/17/857579717.db2.gz YAXVZDXSEZDPRE-HXUWFJFHSA-N 0 0 411.502 4.182 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(c2ncccc2Cl)CC1 ZINC000429259583 857579742 /nfs/dbraw/zinc/57/97/42/857579742.db2.gz YMKUHNDJWQAEAG-UHFFFAOYSA-N 0 0 424.682 4.426 20 5 HIBDRN CCCc1c(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000429329245 857605083 /nfs/dbraw/zinc/60/50/83/857605083.db2.gz CONRYRIAOSYOGO-UHFFFAOYSA-N 0 0 412.421 4.441 20 5 HIBDRN Cc1ccc(-c2cc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])[nH]n2)o1 ZINC000429515135 857709451 /nfs/dbraw/zinc/70/94/51/857709451.db2.gz AXPLHRAXFZOVIW-UHFFFAOYSA-N 0 0 418.409 4.718 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000429616880 857799926 /nfs/dbraw/zinc/79/99/26/857799926.db2.gz RJJHIOWTJYPMNG-UHFFFAOYSA-N 0 0 424.251 4.038 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CNc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000429791278 857885718 /nfs/dbraw/zinc/88/57/18/857885718.db2.gz PBFKKKRVBNYQLM-UHFFFAOYSA-N 0 0 403.866 4.495 20 5 HIBDRN Cc1c(NCc2nc(Cc3ccccc3)no2)cc(Br)cc1[N+](=O)[O-] ZINC000429800544 857889673 /nfs/dbraw/zinc/88/96/73/857889673.db2.gz DIMIGGGHAZWSKD-UHFFFAOYSA-N 0 0 403.236 4.252 20 5 HIBDRN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429826346 857899420 /nfs/dbraw/zinc/89/94/20/857899420.db2.gz JSLNSELZGQQDRA-OAHLLOKOSA-N 0 0 421.247 4.167 20 5 HIBDRN O=C(NCc1cccc(Br)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429859256 857913642 /nfs/dbraw/zinc/91/36/42/857913642.db2.gz LLTRTYCMZKRUTO-UHFFFAOYSA-N 0 0 414.053 4.050 20 5 HIBDRN O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429862459 857915896 /nfs/dbraw/zinc/91/58/96/857915896.db2.gz AUBDTFNUBZVJAU-ZDUSSCGKSA-N 0 0 411.252 4.463 20 5 HIBDRN CC(C)(C(=O)NCCc1cc(Br)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000429882783 857926415 /nfs/dbraw/zinc/92/64/15/857926415.db2.gz GNLQECKAQPEFMA-UHFFFAOYSA-N 0 0 409.255 4.133 20 5 HIBDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429894118 857932532 /nfs/dbraw/zinc/93/25/32/857932532.db2.gz BOZMYSONHIQGOS-ZDUSSCGKSA-N 0 0 405.292 4.382 20 5 HIBDRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429902295 857935599 /nfs/dbraw/zinc/93/55/99/857935599.db2.gz VSTXICONNDTRMD-ZDUSSCGKSA-N 0 0 405.292 4.382 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000429945383 857963259 /nfs/dbraw/zinc/96/32/59/857963259.db2.gz BKQJOCXYAZBMCW-UHFFFAOYSA-N 0 0 409.364 4.320 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000429956372 857967540 /nfs/dbraw/zinc/96/75/40/857967540.db2.gz USQAWVFSDLPXGZ-UHFFFAOYSA-N 0 0 412.627 4.221 20 5 HIBDRN CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000429959124 857969443 /nfs/dbraw/zinc/96/94/43/857969443.db2.gz CMMKOCOSLKPFND-UHFFFAOYSA-N 0 0 406.236 4.204 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000437643103 862973161 /nfs/dbraw/zinc/97/31/61/862973161.db2.gz YBZIYAJKGTUFDU-HXUWFJFHSA-N 0 0 407.474 4.048 20 5 HIBDRN CCCOCc1ccccc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430034111 858004902 /nfs/dbraw/zinc/00/49/02/858004902.db2.gz SXOWUXXNKVDSRZ-UHFFFAOYSA-N 0 0 407.264 4.214 20 5 HIBDRN O=C(NCCC1Cc2ccccc2C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000430110685 858035465 /nfs/dbraw/zinc/03/54/65/858035465.db2.gz JONQYHLWXUROTB-UHFFFAOYSA-N 0 0 400.453 4.355 20 5 HIBDRN Cc1cc(NC(=O)CO[C@@H]2CCCc3ccccc32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430121428 858041232 /nfs/dbraw/zinc/04/12/32/858041232.db2.gz GRDZSJVURNCENN-HXUWFJFHSA-N 0 0 406.442 4.122 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437647302 862978801 /nfs/dbraw/zinc/97/88/01/862978801.db2.gz CHRAUDUREJDKQH-LLVKDONJSA-N 0 0 406.364 4.474 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000430130550 858045495 /nfs/dbraw/zinc/04/54/95/858045495.db2.gz WOGZFZAHAGNNTJ-ZOIWCPRRSA-N 0 0 410.470 4.144 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430228808 858089786 /nfs/dbraw/zinc/08/97/86/858089786.db2.gz VUSLLHSRSGGRFV-UHFFFAOYSA-N 0 0 417.531 4.182 20 5 HIBDRN COCCN(Cc1cc(Br)cs1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430231611 858090928 /nfs/dbraw/zinc/09/09/28/858090928.db2.gz CMVZMZNOJATJPN-UHFFFAOYSA-N 0 0 415.309 4.076 20 5 HIBDRN Cc1cccc2c1CN(C(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)CC2 ZINC000430346486 858129064 /nfs/dbraw/zinc/12/90/64/858129064.db2.gz WQRVNPVMTDFJBA-UHFFFAOYSA-N 0 0 404.416 4.466 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000430416224 858151018 /nfs/dbraw/zinc/15/10/18/858151018.db2.gz RBXXOQKLEUYROV-UHFFFAOYSA-N 0 0 419.865 4.056 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000430438063 858163322 /nfs/dbraw/zinc/16/33/22/858163322.db2.gz LRLMDDWQEGQMLS-JKSUJKDBSA-N 0 0 415.660 4.285 20 5 HIBDRN CCc1noc(-c2ccc(C)c(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)c2)n1 ZINC000430453732 858172516 /nfs/dbraw/zinc/17/25/16/858172516.db2.gz IRIWBWLPEZPNON-UHFFFAOYSA-N 0 0 405.414 4.109 20 5 HIBDRN CCc1ccc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000430498634 858201422 /nfs/dbraw/zinc/20/14/22/858201422.db2.gz MOKMGBDZEUXJPR-LLVKDONJSA-N 0 0 400.822 4.352 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000430499981 858201499 /nfs/dbraw/zinc/20/14/99/858201499.db2.gz ONTVQACMSBGKHE-ZFWWWQNUSA-N 0 0 405.907 4.124 20 5 HIBDRN CC(C)(NC(=O)CCSc1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000430517781 858204824 /nfs/dbraw/zinc/20/48/24/858204824.db2.gz AERIGANJKAIKOP-UHFFFAOYSA-N 0 0 416.499 4.290 20 5 HIBDRN C[C@@H](Oc1ccc(Br)cc1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000430538071 858209933 /nfs/dbraw/zinc/20/99/33/858209933.db2.gz MOGYYZNREGYWRY-GFCCVEGCSA-N 0 0 407.264 4.176 20 5 HIBDRN COc1ccc(-c2cnc(CCC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000430557214 858217194 /nfs/dbraw/zinc/21/71/94/858217194.db2.gz SEZXTRXYPHAFPU-UHFFFAOYSA-N 0 0 409.442 4.243 20 5 HIBDRN Cc1cc(OCC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)ccc1[N+](=O)[O-] ZINC000430580038 858225947 /nfs/dbraw/zinc/22/59/47/858225947.db2.gz ZYNPOTGPKGODBK-UHFFFAOYSA-N 0 0 404.835 4.093 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(Oc2ccc(F)cc2)CC1 ZINC000430593186 858230132 /nfs/dbraw/zinc/23/01/32/858230132.db2.gz OGYLGTWWAQRKEX-UHFFFAOYSA-N 0 0 423.238 4.180 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000430617541 858238307 /nfs/dbraw/zinc/23/83/07/858238307.db2.gz NJQVECQNDZPABR-JTQLQIEISA-N 0 0 413.655 4.208 20 5 HIBDRN COc1cc(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000430668770 858259603 /nfs/dbraw/zinc/25/96/03/858259603.db2.gz YHYVZGPCDZINBW-XTZNXHDOSA-N 0 0 424.375 4.397 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cc(F)ccc2SCC(F)F)ccc1[N+](=O)[O-] ZINC000430696714 858272269 /nfs/dbraw/zinc/27/22/69/858272269.db2.gz BZHQUYNJLFUDGC-UHFFFAOYSA-N 0 0 400.378 4.417 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000430831786 858321878 /nfs/dbraw/zinc/32/18/78/858321878.db2.gz VRJDRZAOSQOJTN-HNNXBMFYSA-N 0 0 405.410 4.018 20 5 HIBDRN CC(C)n1c(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc2ccccc21 ZINC000437668602 863009900 /nfs/dbraw/zinc/00/99/00/863009900.db2.gz QVFBNWUSYBBZCU-UHFFFAOYSA-N 0 0 406.364 4.474 20 5 HIBDRN Cc1ccccc1-n1nccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430930335 858373713 /nfs/dbraw/zinc/37/37/13/858373713.db2.gz SMBDOKJEDLBLRI-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1ccccn1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437680291 863021028 /nfs/dbraw/zinc/02/10/28/863021028.db2.gz LAMQZJPMTFBQGT-QFIPXVFZSA-N 0 0 402.454 4.453 20 5 HIBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1 ZINC000431071870 858434382 /nfs/dbraw/zinc/43/43/82/858434382.db2.gz WOEPLIBVMQBUNU-UHFFFAOYSA-N 0 0 422.553 4.293 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431073923 858435463 /nfs/dbraw/zinc/43/54/63/858435463.db2.gz NUHLXTOKEURQOG-JTQLQIEISA-N 0 0 417.809 4.190 20 5 HIBDRN CCN(CC)C(=O)Cc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000431076455 858436340 /nfs/dbraw/zinc/43/63/40/858436340.db2.gz KALOQOBMPFVTDX-UHFFFAOYSA-N 0 0 412.490 4.063 20 5 HIBDRN Cc1cc([C@@H]2CCCN2C(=O)COc2ccccc2[N+](=O)[O-])ccc1Br ZINC000431127840 858458860 /nfs/dbraw/zinc/45/88/60/858458860.db2.gz LBEGVSCTEKKYHO-INIZCTEOSA-N 0 0 419.275 4.408 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000431163113 858480064 /nfs/dbraw/zinc/48/00/64/858480064.db2.gz LYXXEBPQBNUXKJ-UHFFFAOYSA-N 0 0 418.453 4.077 20 5 HIBDRN Cc1c(NC(=O)c2ccc(Cn3cccn3)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000431175263 858487082 /nfs/dbraw/zinc/48/70/82/858487082.db2.gz MCSVVMMPOKJGCB-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN CC(=O)Nc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)ccc1F ZINC000431178318 858489509 /nfs/dbraw/zinc/48/95/09/858489509.db2.gz CUEJHRSUJWRFHB-UHFFFAOYSA-N 0 0 410.199 4.016 20 5 HIBDRN COc1cc(CCNC(=O)c2c(Cl)cc(F)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000431193312 858496968 /nfs/dbraw/zinc/49/69/68/858496968.db2.gz OOXPZLOBIHSJFS-UHFFFAOYSA-N 0 0 417.220 4.030 20 5 HIBDRN Cc1c(NC(=O)c2ccn(Cc3ccccc3)n2)cc(Br)cc1[N+](=O)[O-] ZINC000431226702 858517221 /nfs/dbraw/zinc/51/72/21/858517221.db2.gz XPPATCUQPLUWQP-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000431232698 858520711 /nfs/dbraw/zinc/52/07/11/858520711.db2.gz YTDXSLPGLYPFBW-NSHDSACASA-N 0 0 411.227 4.095 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000437696152 863032595 /nfs/dbraw/zinc/03/25/95/863032595.db2.gz KHENLSQNLSVCTM-CRAIPNDOSA-N 0 0 424.906 4.003 20 5 HIBDRN Cc1c(NC(=O)c2nc(C(C)C)ncc2Cl)cc(Br)cc1[N+](=O)[O-] ZINC000431239312 858523747 /nfs/dbraw/zinc/52/37/47/858523747.db2.gz WSNPWDZHPFEFID-UHFFFAOYSA-N 0 0 413.659 4.485 20 5 HIBDRN CN(C)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1Cl ZINC000437699442 863034664 /nfs/dbraw/zinc/03/46/64/863034664.db2.gz KVOMCVIDQXWNKW-FQEVSTJZSA-N 0 0 416.909 4.225 20 5 HIBDRN Cc1c(NC(=O)Cc2cc(F)c(F)cc2F)cc(Br)cc1[N+](=O)[O-] ZINC000431267747 858540444 /nfs/dbraw/zinc/54/04/44/858540444.db2.gz GSTZMDQMVYXIAT-UHFFFAOYSA-N 0 0 403.154 4.264 20 5 HIBDRN CCO[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C12CCCCC2 ZINC000431328428 858567859 /nfs/dbraw/zinc/56/78/59/858567859.db2.gz WAUJZRWZDOUURN-CVEARBPZSA-N 0 0 411.296 4.215 20 5 HIBDRN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000431345794 858573578 /nfs/dbraw/zinc/57/35/78/858573578.db2.gz ACIOUZRFJHMVID-KRWDZBQOSA-N 0 0 403.866 4.399 20 5 HIBDRN CC(C)(NC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000431403863 858598297 /nfs/dbraw/zinc/59/82/97/858598297.db2.gz NFRKCFAGODZMPU-UHFFFAOYSA-N 0 0 424.501 4.207 20 5 HIBDRN Cc1ccccc1[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000431423930 858608460 /nfs/dbraw/zinc/60/84/60/858608460.db2.gz WRURLZWSHIPACX-LJQANCHMSA-N 0 0 417.893 4.190 20 5 HIBDRN CC(C)(NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000431427430 858610173 /nfs/dbraw/zinc/61/01/73/858610173.db2.gz NTLSXCINTVDZBM-MRXNPFEDSA-N 0 0 419.890 4.103 20 5 HIBDRN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431472188 858633225 /nfs/dbraw/zinc/63/32/25/858633225.db2.gz NODPKXZDNVLESH-HIFRSBDPSA-N 0 0 403.276 4.451 20 5 HIBDRN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431477204 858636156 /nfs/dbraw/zinc/63/61/56/858636156.db2.gz LHYCKDHXXAYWHG-GXSJLCMTSA-N 0 0 409.202 4.456 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CCC(CO)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000431481247 858637911 /nfs/dbraw/zinc/63/79/11/858637911.db2.gz BKDQBSWZFFBLKU-UHFFFAOYSA-N 0 0 416.477 4.356 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000431489707 858641469 /nfs/dbraw/zinc/64/14/69/858641469.db2.gz ZQASZVYXTWHXIR-ACJLOTCBSA-N 0 0 419.275 4.268 20 5 HIBDRN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1-n1cccn1 ZINC000431496225 858643357 /nfs/dbraw/zinc/64/33/57/858643357.db2.gz SOKOTKJFOBILJM-LBPRGKRZSA-N 0 0 415.247 4.034 20 5 HIBDRN C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1-n1cccn1 ZINC000431496222 858643416 /nfs/dbraw/zinc/64/34/16/858643416.db2.gz SOKOTKJFOBILJM-GFCCVEGCSA-N 0 0 415.247 4.034 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)NCc2ccc(-c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000437717617 863049301 /nfs/dbraw/zinc/04/93/01/863049301.db2.gz BKPRPTCBNLATEU-UHFFFAOYSA-N 0 0 417.874 4.097 20 5 HIBDRN O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431625200 858697220 /nfs/dbraw/zinc/69/72/20/858697220.db2.gz NQOGIWRQCPWYSW-UHFFFAOYSA-N 0 0 418.247 4.127 20 5 HIBDRN COc1ccc2nc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)sc2c1 ZINC000431648957 858712056 /nfs/dbraw/zinc/71/20/56/858712056.db2.gz MMBGQEYOUCWPHE-UHFFFAOYSA-N 0 0 408.233 4.228 20 5 HIBDRN COc1cc(F)c([C@@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000431657742 858717706 /nfs/dbraw/zinc/71/77/06/858717706.db2.gz DTAFKAZZBODSNV-GFCCVEGCSA-N 0 0 405.426 4.047 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000431766083 858801934 /nfs/dbraw/zinc/80/19/34/858801934.db2.gz FXKGZEAWXBWFAH-SNVBAGLBSA-N 0 0 421.247 4.332 20 5 HIBDRN COc1ccc2c(c1)[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)CC2 ZINC000431822077 858827911 /nfs/dbraw/zinc/82/79/11/858827911.db2.gz HOEHIAYRIQXHQO-INIZCTEOSA-N 0 0 408.376 4.224 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431863840 858844901 /nfs/dbraw/zinc/84/49/01/858844901.db2.gz TXSYAUVFKQHREI-UHFFFAOYSA-N 0 0 407.474 4.132 20 5 HIBDRN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000431923992 858872024 /nfs/dbraw/zinc/87/20/24/858872024.db2.gz IQKBPNPXXLZQBA-ZDUSSCGKSA-N 0 0 421.291 4.459 20 5 HIBDRN CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431938444 858878698 /nfs/dbraw/zinc/87/86/98/858878698.db2.gz MTCAMUICLAWTFY-SFHVURJKSA-N 0 0 418.291 4.401 20 5 HIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000432003495 858918091 /nfs/dbraw/zinc/91/80/91/858918091.db2.gz QXJFYGZREYAIPB-CQSZACIVSA-N 0 0 405.458 4.154 20 5 HIBDRN O=C1N[C@@H](Cc2cccc3ccccc32)C(=O)N1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000432022341 858934497 /nfs/dbraw/zinc/93/44/97/858934497.db2.gz YLFFWRGIRKBZRX-IBGZPJMESA-N 0 0 409.829 4.065 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000432080322 858974884 /nfs/dbraw/zinc/97/48/84/858974884.db2.gz NZAIKJYXVCUVQX-MRXNPFEDSA-N 0 0 411.380 4.139 20 5 HIBDRN CC1(C)CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000432143401 859013406 /nfs/dbraw/zinc/01/34/06/859013406.db2.gz NLVXTVVDURTWNP-AWEZNQCLSA-N 0 0 421.379 4.013 20 5 HIBDRN Cc1c(Br)c(NC2(Cc3ccc(F)cc3)CCOCC2)ncc1[N+](=O)[O-] ZINC000432144113 859014569 /nfs/dbraw/zinc/01/45/69/859014569.db2.gz VEQNCJNEELWIFI-UHFFFAOYSA-N 0 0 424.270 4.404 20 5 HIBDRN Cc1nn(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000432245126 859065697 /nfs/dbraw/zinc/06/56/97/859065697.db2.gz HNJYCPWWVGFDTP-OAQYLSRUSA-N 0 0 424.457 4.359 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)cc1[N+](=O)[O-] ZINC000432305827 859095205 /nfs/dbraw/zinc/09/52/05/859095205.db2.gz DYCKGFQZPNZPEX-LLVKDONJSA-N 0 0 406.407 4.210 20 5 HIBDRN O=C(N[C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1)c1cc2ccccc2o1 ZINC000432315873 859100468 /nfs/dbraw/zinc/10/04/68/859100468.db2.gz XFVQLFXSWSZGAW-INIZCTEOSA-N 0 0 416.437 4.288 20 5 HIBDRN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432317851 859101412 /nfs/dbraw/zinc/10/14/12/859101412.db2.gz MLOWPTKVIUFNCZ-ZDUSSCGKSA-N 0 0 411.849 4.047 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000432450466 859169775 /nfs/dbraw/zinc/16/97/75/859169775.db2.gz XEIYEQFXFMWNLP-UHFFFAOYSA-N 0 0 409.446 4.131 20 5 HIBDRN Cc1cnc(C2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)s1 ZINC000432461227 859174045 /nfs/dbraw/zinc/17/40/45/859174045.db2.gz HFRCDQXNNAHPRH-GFCCVEGCSA-N 0 0 409.895 4.187 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ncc(C)s2)CC1 ZINC000432469352 859179204 /nfs/dbraw/zinc/17/92/04/859179204.db2.gz NYJMULPTBKXFDH-UHFFFAOYSA-N 0 0 421.544 4.118 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC2(CCCC2)c2cccc(F)c21 ZINC000432557177 859226296 /nfs/dbraw/zinc/22/62/96/859226296.db2.gz QEDUBEBPFHMRSK-UHFFFAOYSA-N 0 0 406.417 4.392 20 5 HIBDRN CCOc1cc(NC(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC ZINC000432634739 859264253 /nfs/dbraw/zinc/26/42/53/859264253.db2.gz UIMQDJRUGWQBLF-IBGZPJMESA-N 0 0 414.462 4.402 20 5 HIBDRN COc1cc(C(=O)N2CC3(CCCC3)c3cccc(F)c32)c([N+](=O)[O-])cc1OC ZINC000432640563 859267424 /nfs/dbraw/zinc/26/74/24/859267424.db2.gz FUEILPYBMZHESU-UHFFFAOYSA-N 0 0 400.406 4.223 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](Sc2nccn3ccnc23)c2ccccc2)c([N+](=O)[O-])c1 ZINC000432673429 859284618 /nfs/dbraw/zinc/28/46/18/859284618.db2.gz VUSIWIAKGYKTGI-GOSISDBHSA-N 0 0 419.466 4.418 20 5 HIBDRN CCN(CC)C(=O)Cc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000432698364 859301762 /nfs/dbraw/zinc/30/17/62/859301762.db2.gz JYASVIORTKLWKQ-UHFFFAOYSA-N 0 0 412.490 4.063 20 5 HIBDRN Cc1c(Br)ccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1F ZINC000432701313 859304050 /nfs/dbraw/zinc/30/40/50/859304050.db2.gz XZDMCKQSRCQHCH-UHFFFAOYSA-N 0 0 407.199 4.467 20 5 HIBDRN O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000432731839 859325455 /nfs/dbraw/zinc/32/54/55/859325455.db2.gz UVUPBYIUFPAPNM-UHFFFAOYSA-N 0 0 415.449 4.397 20 5 HIBDRN CN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2cc(Cl)ccc21 ZINC000432754264 859335952 /nfs/dbraw/zinc/33/59/52/859335952.db2.gz KBLFZGFLUSOVRA-UHFFFAOYSA-N 0 0 410.655 4.107 20 5 HIBDRN CC(C)(NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000432902376 859418891 /nfs/dbraw/zinc/41/88/91/859418891.db2.gz KQZNUKQSBSPLTQ-UHFFFAOYSA-N 0 0 410.474 4.278 20 5 HIBDRN CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000432913665 859426729 /nfs/dbraw/zinc/42/67/29/859426729.db2.gz ZYCWSMJLFPDDEC-MRXNPFEDSA-N 0 0 417.372 4.173 20 5 HIBDRN CC(=O)Nc1ccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000433070139 859508695 /nfs/dbraw/zinc/50/86/95/859508695.db2.gz FVOQMWHCWFGYRD-UHFFFAOYSA-N 0 0 421.413 4.062 20 5 HIBDRN CC(=O)N1CCN(c2cccc(N[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CC1 ZINC000433090230 859518792 /nfs/dbraw/zinc/51/87/92/859518792.db2.gz RDXKJSKOHWXOOL-QFIPXVFZSA-N 0 0 408.502 4.098 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000433342631 859655068 /nfs/dbraw/zinc/65/50/68/859655068.db2.gz JZHDKJYQRSICBP-IBGZPJMESA-N 0 0 413.380 4.494 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000433658269 859827335 /nfs/dbraw/zinc/82/73/35/859827335.db2.gz YZIKHMWQZMLNOA-HNNXBMFYSA-N 0 0 419.762 4.375 20 5 HIBDRN CCOC(=O)c1cc(NCc2cccc(COC3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000433729039 859859137 /nfs/dbraw/zinc/85/91/37/859859137.db2.gz VUPYXGUVUDDHGR-UHFFFAOYSA-N 0 0 414.458 4.079 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000433747875 859872836 /nfs/dbraw/zinc/87/28/36/859872836.db2.gz HZUKINLQMLPTCK-LJAQVGFWSA-N 0 0 412.471 4.001 20 5 HIBDRN CCOc1ccc(-c2csc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])n2)cc1 ZINC000433750994 859874654 /nfs/dbraw/zinc/87/46/54/859874654.db2.gz XMWDGGIXZMXNFO-UHFFFAOYSA-N 0 0 401.448 4.216 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000433832753 859919906 /nfs/dbraw/zinc/91/99/06/859919906.db2.gz KSLTUKSLMVWULM-UHFFFAOYSA-N 0 0 408.418 4.338 20 5 HIBDRN Cc1cccn2cc(-c3ccc(NC(=O)c4n[nH]c(C(C)C)c4[N+](=O)[O-])cc3)nc12 ZINC000433838552 859924309 /nfs/dbraw/zinc/92/43/09/859924309.db2.gz YSEYSDIQGSCTER-UHFFFAOYSA-N 0 0 404.430 4.317 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000433840107 859925719 /nfs/dbraw/zinc/92/57/19/859925719.db2.gz WIAFLSHYGWDGAM-AWEZNQCLSA-N 0 0 421.457 4.185 20 5 HIBDRN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000433945518 859993439 /nfs/dbraw/zinc/99/34/39/859993439.db2.gz HTDNIDBXMKBPNY-UHFFFAOYSA-N 0 0 410.478 4.485 20 5 HIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000434063046 860073413 /nfs/dbraw/zinc/07/34/13/860073413.db2.gz OIBMMDQRRSFTCF-UHFFFAOYSA-N 0 0 424.888 4.427 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(OCC2CCCC2)CC1 ZINC000434139766 860138188 /nfs/dbraw/zinc/13/81/88/860138188.db2.gz CBWUGMUZGPTGLG-CQSZACIVSA-N 0 0 410.898 4.213 20 5 HIBDRN Cc1cn(C2CCCCC2)nc1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000434141422 860139057 /nfs/dbraw/zinc/13/90/57/860139057.db2.gz JMCLJUYBAFBZKP-UHFFFAOYSA-N 0 0 409.393 4.850 20 5 HIBDRN CC(C)[C@@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000434169653 860164012 /nfs/dbraw/zinc/16/40/12/860164012.db2.gz KQKWERYVHNEMEH-YLJYHZDGSA-N 0 0 410.518 4.396 20 5 HIBDRN COc1ccc(C(=O)CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1F ZINC000434189359 860178695 /nfs/dbraw/zinc/17/86/95/860178695.db2.gz BGBRPZGVLFKIDW-UHFFFAOYSA-N 0 0 402.422 4.143 20 5 HIBDRN Cc1c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cccc1C(=O)Nc1ccccc1 ZINC000434195003 860182576 /nfs/dbraw/zinc/18/25/76/860182576.db2.gz UWPONVQVDPWACI-UHFFFAOYSA-N 0 0 407.430 4.254 20 5 HIBDRN CCOc1ccc2c(c1)CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000434200940 860187152 /nfs/dbraw/zinc/18/71/52/860187152.db2.gz MOHJPBCOTGULMC-UHFFFAOYSA-N 0 0 407.373 4.185 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)c1[N+](=O)[O-] ZINC000434227301 860211718 /nfs/dbraw/zinc/21/17/18/860211718.db2.gz IGUMTALRPSCWAR-MRXNPFEDSA-N 0 0 412.421 4.131 20 5 HIBDRN Cn1cc(C(=O)N2CC[C@](C)(CCc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000434250077 860229592 /nfs/dbraw/zinc/22/95/92/860229592.db2.gz PVQPPLPPERJHEA-DEOSSOPVSA-N 0 0 418.497 4.480 20 5 HIBDRN C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000434259570 860237509 /nfs/dbraw/zinc/23/75/09/860237509.db2.gz HYMWMNONAQDBJA-OAHLLOKOSA-N 0 0 407.426 4.191 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000434328745 860290385 /nfs/dbraw/zinc/29/03/85/860290385.db2.gz ZLAHPROGDOLISR-RDTXWAMCSA-N 0 0 423.391 4.114 20 5 HIBDRN CC(C)Oc1ccc(Br)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000434335985 860297247 /nfs/dbraw/zinc/29/72/47/860297247.db2.gz XVRDXQZRUJZYBQ-UHFFFAOYSA-N 0 0 409.236 4.162 20 5 HIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC000434366192 860314841 /nfs/dbraw/zinc/31/48/41/860314841.db2.gz DNXJJBUAHODGTP-UHFFFAOYSA-N 0 0 415.453 4.326 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nccn1CCCc1ccccc1 ZINC000434379914 860323861 /nfs/dbraw/zinc/32/38/61/860323861.db2.gz NDTZCNKIGQZWNZ-QGZVFWFLSA-N 0 0 424.526 4.221 20 5 HIBDRN COc1cc(CCNC(=O)Nc2c(C)c(C)ccc2Cl)c([N+](=O)[O-])cc1OC ZINC000434487391 860369738 /nfs/dbraw/zinc/36/97/38/860369738.db2.gz WKJPJBYNPWKCIY-UHFFFAOYSA-N 0 0 407.854 4.246 20 5 HIBDRN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)CC2 ZINC000467732113 881533282 /nfs/dbraw/zinc/53/32/82/881533282.db2.gz OSHBJNSNWFDTDZ-LBPRGKRZSA-N 0 0 408.380 4.072 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2csc(C3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000434640791 860442420 /nfs/dbraw/zinc/44/24/20/860442420.db2.gz OPCWWFXCWYUMPL-UHFFFAOYSA-N 0 0 410.517 4.223 20 5 HIBDRN O=C(NC1CC1)c1cc(SCc2nc3cc([N+](=O)[O-])ccc3o2)nc2ccccc21 ZINC000434794401 860496860 /nfs/dbraw/zinc/49/68/60/860496860.db2.gz NKAWAISKJIFOET-UHFFFAOYSA-N 0 0 420.450 4.469 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000434845870 860519451 /nfs/dbraw/zinc/51/94/51/860519451.db2.gz JNWBLUJIURCZAZ-INIZCTEOSA-N 0 0 423.473 4.078 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000434948092 860569521 /nfs/dbraw/zinc/56/95/21/860569521.db2.gz VBSKIWFJEKYABK-UHFFFAOYSA-N 0 0 408.911 4.226 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000435026561 860604841 /nfs/dbraw/zinc/60/48/41/860604841.db2.gz MQUGVZOODOBQOL-AWEZNQCLSA-N 0 0 400.866 4.268 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000435146759 860665120 /nfs/dbraw/zinc/66/51/20/860665120.db2.gz PACKBPDTYNBVLX-UHFFFAOYSA-N 0 0 401.469 4.250 20 5 HIBDRN CC(C)c1cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)nn1-c1ccccc1 ZINC000435161566 860671750 /nfs/dbraw/zinc/67/17/50/860671750.db2.gz DTBTWVBHKQUVCU-UHFFFAOYSA-N 0 0 422.441 4.318 20 5 HIBDRN Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1Br ZINC000435215632 860696777 /nfs/dbraw/zinc/69/67/77/860696777.db2.gz JLCOMVBZKLAATA-LBPRGKRZSA-N 0 0 413.293 4.014 20 5 HIBDRN O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000435294008 860723310 /nfs/dbraw/zinc/72/33/10/860723310.db2.gz FLTYJZANJYDHCB-QGZVFWFLSA-N 0 0 416.437 4.194 20 5 HIBDRN COc1cccc2c1CC[C@H]2NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435322479 860734092 /nfs/dbraw/zinc/73/40/92/860734092.db2.gz DBIBJPRDSHDTDA-CQSZACIVSA-N 0 0 420.263 4.483 20 5 HIBDRN COc1cccc(CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000435322944 860734768 /nfs/dbraw/zinc/73/47/68/860734768.db2.gz IJVRJIXKJTUDLD-UHFFFAOYSA-N 0 0 408.252 4.039 20 5 HIBDRN CC[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000435322670 860734867 /nfs/dbraw/zinc/73/48/67/860734867.db2.gz FSZYVXWPMPXRRA-ZDUSSCGKSA-N 0 0 424.299 4.289 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1c2c(ccc1Cl)CC(C)(C)O2 ZINC000435323450 860735023 /nfs/dbraw/zinc/73/50/23/860735023.db2.gz MTAMJYDKDQMJBK-UHFFFAOYSA-N 0 0 405.838 4.292 20 5 HIBDRN CCCOc1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cn1 ZINC000435323934 860735689 /nfs/dbraw/zinc/73/56/89/860735689.db2.gz QTWQMAUQHXSLAJ-UHFFFAOYSA-N 0 0 423.267 4.171 20 5 HIBDRN Cc1c(NC(=O)N2Cc3ccccc3OC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435325370 860736311 /nfs/dbraw/zinc/73/63/11/860736311.db2.gz ZTCIIYMZXAMWPE-NSHDSACASA-N 0 0 420.263 4.481 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000435325983 860737621 /nfs/dbraw/zinc/73/76/21/860737621.db2.gz HCHWSASIGWVYGY-UHFFFAOYSA-N 0 0 423.860 4.269 20 5 HIBDRN Cc1c(NC(=O)N2CCOc3ccc(F)cc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000435327838 860739098 /nfs/dbraw/zinc/73/90/98/860739098.db2.gz IYFHHCMKAQVFDR-UHFFFAOYSA-N 0 0 424.226 4.231 20 5 HIBDRN Cc1c(NC(=O)NCc2ccc3c(c2)COC3)cc(Br)cc1[N+](=O)[O-] ZINC000435328780 860739869 /nfs/dbraw/zinc/73/98/69/860739869.db2.gz MVMXSWOTRGGPAA-UHFFFAOYSA-N 0 0 406.236 4.018 20 5 HIBDRN Cc1c(NC(=O)N2CCC(OCC3CC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435329104 860740831 /nfs/dbraw/zinc/74/08/31/860740831.db2.gz ODIRLCNOFPFRIB-UHFFFAOYSA-N 0 0 412.284 4.089 20 5 HIBDRN Cc1c(NC(=O)N(Cc2ccncc2)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435330688 860741704 /nfs/dbraw/zinc/74/17/04/860741704.db2.gz VLLHPFJLMRBAOT-UHFFFAOYSA-N 0 0 405.252 4.257 20 5 HIBDRN Cc1c(NC(=O)NCCOCc2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000435330755 860742221 /nfs/dbraw/zinc/74/22/21/860742221.db2.gz VXVNHTFGXALCTI-UHFFFAOYSA-N 0 0 408.252 4.004 20 5 HIBDRN Cc1c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000435340623 860749389 /nfs/dbraw/zinc/74/93/89/860749389.db2.gz KYDPYXFGTBMEHH-UHFFFAOYSA-N 0 0 420.347 4.282 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)ccc1[N+](=O)[O-] ZINC000435383806 860778645 /nfs/dbraw/zinc/77/86/45/860778645.db2.gz KDWNMTFONZAMKA-NSHDSACASA-N 0 0 415.393 4.099 20 5 HIBDRN COc1ccc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] ZINC000435388760 860781426 /nfs/dbraw/zinc/78/14/26/860781426.db2.gz HFTKBNPUIFDLCB-NSHDSACASA-N 0 0 415.393 4.099 20 5 HIBDRN Cc1cnn(-c2ccc(C)cc2NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000435441812 860799978 /nfs/dbraw/zinc/79/99/78/860799978.db2.gz HWXHCMUUTABNBL-UHFFFAOYSA-N 0 0 419.485 4.252 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)cc([N+](=O)[O-])c1OC ZINC000435451639 860803490 /nfs/dbraw/zinc/80/34/90/860803490.db2.gz KOXHHMLFTMBMQM-MJGOQNOKSA-N 0 0 414.458 4.040 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1nc[nH]n1 ZINC000467763748 881582079 /nfs/dbraw/zinc/58/20/79/881582079.db2.gz VUEIYWLZQCOJQG-JTQLQIEISA-N 0 0 403.851 4.009 20 5 HIBDRN COc1cccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)c1[N+](=O)[O-] ZINC000435547741 860863006 /nfs/dbraw/zinc/86/30/06/860863006.db2.gz JJXGYKYHGXPNEF-UHFFFAOYSA-N 0 0 418.471 4.361 20 5 HIBDRN CCC(CC)[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000435562985 860884252 /nfs/dbraw/zinc/88/42/52/860884252.db2.gz JXTNCKJMDVCXBM-QFIPXVFZSA-N 0 0 423.469 4.156 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000435570559 860890654 /nfs/dbraw/zinc/89/06/54/860890654.db2.gz XRLYMKIXGAPYJU-UHFFFAOYSA-N 0 0 412.421 4.478 20 5 HIBDRN COc1cccc(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)c1[N+](=O)[O-] ZINC000435619229 860922437 /nfs/dbraw/zinc/92/24/37/860922437.db2.gz XGBOPIXAOQIPGL-UHFFFAOYSA-N 0 0 422.437 4.121 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CCOC[C@@H]1C ZINC000435669196 860948814 /nfs/dbraw/zinc/94/88/14/860948814.db2.gz JETCCFBGLLSQHW-SWLSCSKDSA-N 0 0 418.471 4.111 20 5 HIBDRN O=C(Nc1ccc(N2CCCC2=O)cn1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000435688003 860970421 /nfs/dbraw/zinc/97/04/21/860970421.db2.gz LAJHCLYVALIFTP-UHFFFAOYSA-N 0 0 417.425 4.113 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)c1[N+](=O)[O-] ZINC000435731850 861015127 /nfs/dbraw/zinc/01/51/27/861015127.db2.gz NIFSHSKIVPVXGZ-UHFFFAOYSA-N 0 0 402.410 4.409 20 5 HIBDRN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2nc(C3CCCCC3)cs2)C1=O ZINC000435793412 861064319 /nfs/dbraw/zinc/06/43/19/861064319.db2.gz AIPNXOUXOKIERW-HXUWFJFHSA-N 0 0 414.487 4.066 20 5 HIBDRN CC[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])Oc1ccccc1C(F)(F)F ZINC000435810039 861077145 /nfs/dbraw/zinc/07/71/45/861077145.db2.gz RLAAVZYSUAMKJI-GFCCVEGCSA-N 0 0 412.364 4.210 20 5 HIBDRN COc1cc(C)c(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1OC ZINC000435822600 861086677 /nfs/dbraw/zinc/08/66/77/861086677.db2.gz ROAATUBISCCPDP-UHFFFAOYSA-N 0 0 406.413 4.398 20 5 HIBDRN Cc1ccc(OCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 ZINC000435828282 861092039 /nfs/dbraw/zinc/09/20/39/861092039.db2.gz RYCHPQWKUQENCB-UHFFFAOYSA-N 0 0 408.404 4.077 20 5 HIBDRN COc1cccc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1[N+](=O)[O-] ZINC000435865781 861126298 /nfs/dbraw/zinc/12/62/98/861126298.db2.gz RGEOJSSDCSLQII-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(F)cc(Br)cc2Cl)s1 ZINC000435897537 861153230 /nfs/dbraw/zinc/15/32/30/861153230.db2.gz NLYZMBIAWJRZHT-UHFFFAOYSA-N 0 0 415.649 4.012 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)c1ccc(C(F)(F)F)cc1Cl ZINC000435910014 861171583 /nfs/dbraw/zinc/17/15/83/861171583.db2.gz VDMQNXBOPCHMHH-UHFFFAOYSA-N 0 0 408.785 4.401 20 5 HIBDRN C[C@@H](c1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1)N1CCOCC1 ZINC000437763028 863082410 /nfs/dbraw/zinc/08/24/10/863082410.db2.gz KCPNTDWTLLQAHT-KRWDZBQOSA-N 0 0 424.501 4.185 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000437910604 863284873 /nfs/dbraw/zinc/28/48/73/863284873.db2.gz YHMVWQVXJUCKHD-CYBMUJFWSA-N 0 0 402.476 4.116 20 5 HIBDRN CCN(Cc1ccccn1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000437937932 863314193 /nfs/dbraw/zinc/31/41/93/863314193.db2.gz WNLAERDBZMRAQG-UHFFFAOYSA-N 0 0 420.256 4.145 20 5 HIBDRN CC(C)(CO)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000438179891 863604260 /nfs/dbraw/zinc/60/42/60/863604260.db2.gz QRIUMEROKKSHDE-QGZVFWFLSA-N 0 0 410.392 4.146 20 5 HIBDRN O=C1[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1c1cc(Cl)ccc1Cl ZINC000438236258 863681861 /nfs/dbraw/zinc/68/18/61/863681861.db2.gz HLZIFSYZJKWCQE-CYBMUJFWSA-N 0 0 419.224 4.472 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCc3ncsc3C2)cc1 ZINC000438376419 863835224 /nfs/dbraw/zinc/83/52/24/863835224.db2.gz SJMLCHYBLPFFDG-UHFFFAOYSA-N 0 0 417.494 4.462 20 5 HIBDRN CC(C)c1nnc2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cn21 ZINC000438509093 863932379 /nfs/dbraw/zinc/93/23/79/863932379.db2.gz XQTVYPZYDOHEIG-UHFFFAOYSA-N 0 0 415.428 4.239 20 5 HIBDRN CC(C)c1nnc2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cn21 ZINC000438509544 863934582 /nfs/dbraw/zinc/93/45/82/863934582.db2.gz PEUBFXUTVLYMGD-UHFFFAOYSA-N 0 0 422.489 4.250 20 5 HIBDRN C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000467859801 881710890 /nfs/dbraw/zinc/71/08/90/881710890.db2.gz WOFNGDOQHQFHLA-RDJZCZTQSA-N 0 0 400.500 4.088 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000467860750 881711957 /nfs/dbraw/zinc/71/19/57/881711957.db2.gz BDQONCMHYKAKED-UHFFFAOYSA-N 0 0 401.825 4.474 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCO[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000438558661 863991849 /nfs/dbraw/zinc/99/18/49/863991849.db2.gz SAKGYVKYRNTHGH-VXKWHMMOSA-N 0 0 421.453 4.250 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)c2ccncc2OC)cc1 ZINC000438612000 864037721 /nfs/dbraw/zinc/03/77/21/864037721.db2.gz HQYJLHPNOZMBMH-CQSZACIVSA-N 0 0 423.425 4.290 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@H](C(F)(F)F)C1 ZINC000467867324 881722244 /nfs/dbraw/zinc/72/22/44/881722244.db2.gz LORICHKOLXPARS-JTQLQIEISA-N 0 0 410.342 4.374 20 5 HIBDRN CCOc1cc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)cc(Br)c1O ZINC000438744607 864233872 /nfs/dbraw/zinc/23/38/72/864233872.db2.gz DICATNBTNUEJCT-UHFFFAOYSA-N 0 0 420.219 4.102 20 5 HIBDRN Cc1c(CC(=O)N[C@@H](C)CCc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000438894127 864374898 /nfs/dbraw/zinc/37/48/98/864374898.db2.gz FFQLLZQCAOCINF-ZDUSSCGKSA-N 0 0 405.292 4.346 20 5 HIBDRN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000438915854 864395350 /nfs/dbraw/zinc/39/53/50/864395350.db2.gz ABCRGIKSMKWUCV-FRQCXROJSA-N 0 0 402.834 4.338 20 5 HIBDRN COc1ccc2c(c1)CCN(C(=O)c1ccc(N3CCC(C)CC3)c([N+](=O)[O-])c1)CC2 ZINC000438917637 864396785 /nfs/dbraw/zinc/39/67/85/864396785.db2.gz DZARHAHTWJAASD-UHFFFAOYSA-N 0 0 423.513 4.081 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCNC(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000438946501 864419468 /nfs/dbraw/zinc/41/94/68/864419468.db2.gz KAERZALCVDVDLH-UHFFFAOYSA-N 0 0 413.499 4.123 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000438949120 864420911 /nfs/dbraw/zinc/42/09/11/864420911.db2.gz BOSAXFGMSNFEIX-GFCCVEGCSA-N 0 0 406.866 4.182 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000438952368 864423949 /nfs/dbraw/zinc/42/39/49/864423949.db2.gz WLQVLZPMEHKMPY-UHFFFAOYSA-N 0 0 424.766 5.013 20 5 HIBDRN Cc1c(CC(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cccc1[N+](=O)[O-] ZINC000438977107 864441714 /nfs/dbraw/zinc/44/17/14/864441714.db2.gz JFFKPPZKAMDMRK-UHFFFAOYSA-N 0 0 415.877 4.364 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] ZINC000438979686 864443292 /nfs/dbraw/zinc/44/32/92/864443292.db2.gz PSGWUJTWMJQXKO-UHFFFAOYSA-N 0 0 424.526 4.286 20 5 HIBDRN CO[C@@H](C)c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cs1 ZINC000438987483 864448562 /nfs/dbraw/zinc/44/85/62/864448562.db2.gz UFUUMWFPKUDQCP-ZDUSSCGKSA-N 0 0 413.455 4.481 20 5 HIBDRN COc1ccc(OC)c(-c2csc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)n2)c1 ZINC000439000220 864454521 /nfs/dbraw/zinc/45/45/21/864454521.db2.gz WRZIIOHLWNBXLO-UHFFFAOYSA-N 0 0 413.455 4.225 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(c2ccccc2Br)CC1 ZINC000439012595 864463644 /nfs/dbraw/zinc/46/36/44/864463644.db2.gz AJLDEZAONAQRJK-UHFFFAOYSA-N 0 0 403.276 4.306 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3ccccc3Br)CC2)c1 ZINC000439018281 864470038 /nfs/dbraw/zinc/47/00/38/864470038.db2.gz HJWKFHMWCKRSEP-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN CCOc1cc(CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000439038321 864493670 /nfs/dbraw/zinc/49/36/70/864493670.db2.gz FEQIGQXYQTWIFX-UHFFFAOYSA-N 0 0 408.401 4.104 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cccc1[N+](=O)[O-] ZINC000439055399 864506351 /nfs/dbraw/zinc/50/63/51/864506351.db2.gz DVVQQMOXIXAFME-UHFFFAOYSA-N 0 0 423.448 4.208 20 5 HIBDRN CN(CC(=O)Nc1nc(-c2c(F)cccc2F)cs1)c1ccccc1[N+](=O)[O-] ZINC000439066536 864519001 /nfs/dbraw/zinc/51/90/01/864519001.db2.gz MFEKLMNXVCJUKO-UHFFFAOYSA-N 0 0 404.398 4.071 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439087078 864533210 /nfs/dbraw/zinc/53/32/10/864533210.db2.gz RJYAHYOXTINPMM-STQMWFEESA-N 0 0 406.280 4.158 20 5 HIBDRN CCOC(=O)C[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000439104595 864542340 /nfs/dbraw/zinc/54/23/40/864542340.db2.gz DUGQCPPNEPORHN-OAHLLOKOSA-N 0 0 408.813 4.120 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000439105339 864543473 /nfs/dbraw/zinc/54/34/73/864543473.db2.gz CRRIVXHMNYQANF-UHFFFAOYSA-N 0 0 424.844 4.134 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000439114041 864551210 /nfs/dbraw/zinc/55/12/10/864551210.db2.gz FZZXETIKLAFWSB-UHFFFAOYSA-N 0 0 407.213 4.190 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000439116347 864552688 /nfs/dbraw/zinc/55/26/88/864552688.db2.gz JTTSJRGBIVQLEL-SFHVURJKSA-N 0 0 417.462 4.011 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1Sc1nncn1C ZINC000439136293 864568054 /nfs/dbraw/zinc/56/80/54/864568054.db2.gz ZSJAQSOVCPQPRK-UHFFFAOYSA-N 0 0 403.851 4.089 20 5 HIBDRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])ccc2NC1=O ZINC000439145963 864578164 /nfs/dbraw/zinc/57/81/64/864578164.db2.gz GMUBTSYVXJARMW-BZNIZROVSA-N 0 0 417.849 4.157 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CCc1ccccn1)Cc1ccncc1 ZINC000439165651 864595387 /nfs/dbraw/zinc/59/53/87/864595387.db2.gz WEBHXGOCFQQHRC-UHFFFAOYSA-N 0 0 410.861 4.232 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(-c2ccccn2)c1 ZINC000439168883 864598308 /nfs/dbraw/zinc/59/83/08/864598308.db2.gz NLMKZWWMWGOUSQ-UHFFFAOYSA-N 0 0 411.845 4.396 20 5 HIBDRN O=C(NCc1cccc(-c2ccccn2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000439185699 864614657 /nfs/dbraw/zinc/61/46/57/864614657.db2.gz FHFKZYBMGYZXBP-UHFFFAOYSA-N 0 0 402.454 4.187 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)Cc2ccccc2F)cc1 ZINC000439229591 864646807 /nfs/dbraw/zinc/64/68/07/864646807.db2.gz NUGZWVYSMLIEMR-UHFFFAOYSA-N 0 0 400.431 4.271 20 5 HIBDRN COc1cc(CNc2ccc(C(=O)N3CCC(C)CC3)cc2C)c([N+](=O)[O-])cc1O ZINC000439252046 864669144 /nfs/dbraw/zinc/66/91/44/864669144.db2.gz YSPKZVGTOQOYHI-UHFFFAOYSA-N 0 0 413.474 4.102 20 5 HIBDRN Cc1cnc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1-c1ccccc1 ZINC000439299085 864724751 /nfs/dbraw/zinc/72/47/51/864724751.db2.gz BMJQQTXCGCYDIU-UHFFFAOYSA-N 0 0 417.469 4.215 20 5 HIBDRN CC(C)(C)C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000439312214 864745931 /nfs/dbraw/zinc/74/59/31/864745931.db2.gz AGRQRNJADOJWMY-GOSISDBHSA-N 0 0 417.893 4.272 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439330001 864767548 /nfs/dbraw/zinc/76/75/48/864767548.db2.gz OLGOTSKPCMVZJF-UHFFFAOYSA-N 0 0 405.857 4.456 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000439424337 864826873 /nfs/dbraw/zinc/82/68/73/864826873.db2.gz RLYGFIFWPWFICV-KRWDZBQOSA-N 0 0 423.391 4.374 20 5 HIBDRN CO[C@@H](C)c1nc(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])cs1 ZINC000439610901 864932345 /nfs/dbraw/zinc/93/23/45/864932345.db2.gz KXLOFIFFKYCDMK-VIFPVBQESA-N 0 0 423.292 4.103 20 5 HIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000439640894 864968232 /nfs/dbraw/zinc/96/82/32/864968232.db2.gz AQLOUUKMFHCFSY-UHFFFAOYSA-N 0 0 404.430 4.028 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ncc(Cc2cccc(F)c2)s1 ZINC000467974392 881829596 /nfs/dbraw/zinc/82/95/96/881829596.db2.gz JIIUMGNRNRWFJU-UHFFFAOYSA-N 0 0 400.435 4.145 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000439768911 865094336 /nfs/dbraw/zinc/09/43/36/865094336.db2.gz TYMJLKQHTAHUST-SFHVURJKSA-N 0 0 413.474 4.226 20 5 HIBDRN CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467986575 881834890 /nfs/dbraw/zinc/83/48/90/881834890.db2.gz XEGFMMMJMDQISP-UHFFFAOYSA-N 0 0 421.906 4.046 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000439868564 865176161 /nfs/dbraw/zinc/17/61/61/865176161.db2.gz YABOJLJMRRFZFU-UHFFFAOYSA-N 0 0 417.809 4.019 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccncc1)Cc1cccnc1 ZINC000439871838 865181083 /nfs/dbraw/zinc/18/10/83/865181083.db2.gz JSGILEXZTSLTHB-UHFFFAOYSA-N 0 0 407.430 4.018 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000439873252 865184090 /nfs/dbraw/zinc/18/40/90/865184090.db2.gz SYSPBGAESDIDPW-UHFFFAOYSA-N 0 0 423.473 4.480 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000439884577 865196388 /nfs/dbraw/zinc/19/63/88/865196388.db2.gz XWTSLXVEZQRTHE-UHFFFAOYSA-N 0 0 413.478 4.091 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000439890170 865202146 /nfs/dbraw/zinc/20/21/46/865202146.db2.gz AAIAXSBZKDYDDB-CQSZACIVSA-N 0 0 414.245 4.155 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000439893261 865205440 /nfs/dbraw/zinc/20/54/40/865205440.db2.gz WLVKUKFDWZNRPK-DJJJIMSYSA-N 0 0 403.410 4.127 20 5 HIBDRN CCCc1c(NC(=O)Nc2cc([N+](=O)[O-])ccc2OCC)cnn1-c1cc(C)ccn1 ZINC000439906456 865215939 /nfs/dbraw/zinc/21/59/39/865215939.db2.gz YJPJWUIIWMOVBU-UHFFFAOYSA-N 0 0 424.461 4.479 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000439907529 865217223 /nfs/dbraw/zinc/21/72/23/865217223.db2.gz BHGYLGSMHKKFMI-RBUKOAKNSA-N 0 0 403.410 4.174 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(SC)c(OC)c1 ZINC000439913241 865220654 /nfs/dbraw/zinc/22/06/54/865220654.db2.gz LKRBTDVVLDUFJF-UHFFFAOYSA-N 0 0 405.476 4.388 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)c([N+](=O)[O-])cc1OC ZINC000439991444 865301402 /nfs/dbraw/zinc/30/14/02/865301402.db2.gz BOFRNBSSYJDTFQ-HSZRJFAPSA-N 0 0 410.470 4.122 20 5 HIBDRN CC[C@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@H]1O ZINC000468020277 881857173 /nfs/dbraw/zinc/85/71/73/881857173.db2.gz WBGWJMHASQFNAS-BLLLJJGKSA-N 0 0 406.891 4.242 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](c1ccccc1C)C(C)C ZINC000440062227 865333181 /nfs/dbraw/zinc/33/31/81/865333181.db2.gz NBGICIKHUQGAPK-FQEVSTJZSA-N 0 0 413.474 4.096 20 5 HIBDRN CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1cc2c(cc1OC)CCC(=O)N2 ZINC000468033526 881864370 /nfs/dbraw/zinc/86/43/70/881864370.db2.gz LKTPTDDDRMJTAM-AWEZNQCLSA-N 0 0 401.488 4.471 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000440142873 865377691 /nfs/dbraw/zinc/37/76/91/865377691.db2.gz CWLQORJEYBHNJS-CQSZACIVSA-N 0 0 417.535 4.419 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NC[C@](C)(O)CCC(C)C)cc2[N+](=O)[O-])n1 ZINC000440164736 865392580 /nfs/dbraw/zinc/39/25/80/865392580.db2.gz XESDJBSLPLHCDG-LJQANCHMSA-N 0 0 423.560 4.428 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N(CCO)C1CCC1 ZINC000440171806 865398121 /nfs/dbraw/zinc/39/81/21/865398121.db2.gz GCSPVLQOSOVADA-UHFFFAOYSA-N 0 0 406.891 4.386 20 5 HIBDRN COc1cc(C(=O)NC[C@](C)(O)C(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000440232082 865467381 /nfs/dbraw/zinc/46/73/81/865467381.db2.gz MGVUZWOTDGPZDN-FQEVSTJZSA-N 0 0 422.865 4.186 20 5 HIBDRN Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2)c1 ZINC000440256960 865501824 /nfs/dbraw/zinc/50/18/24/865501824.db2.gz PUSXAWBDHFBPBJ-UHFFFAOYSA-N 0 0 419.437 4.368 20 5 HIBDRN CCc1[nH]nc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1-c1ccc2c(c1)OCO2 ZINC000440471272 865774496 /nfs/dbraw/zinc/77/44/96/865774496.db2.gz HAFBXKJCWHNESP-UHFFFAOYSA-N 0 0 419.397 4.010 20 5 HIBDRN Cc1nn(C)c(C)c1CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440477255 865781913 /nfs/dbraw/zinc/78/19/13/865781913.db2.gz KQQZCXCQHPNFSH-UHFFFAOYSA-N 0 0 410.499 4.069 20 5 HIBDRN Cc1nc(-c2ccc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000440477811 865782318 /nfs/dbraw/zinc/78/23/18/865782318.db2.gz KBTFQPJOOPANLY-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN O=[N+]([O-])c1cnc(Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c(Br)c1 ZINC000440543652 865811828 /nfs/dbraw/zinc/81/18/28/865811828.db2.gz OBLGXTWJEJLPRX-HZPDHXFCSA-N 0 0 408.252 4.178 20 5 HIBDRN Cc1[nH]nc2nc(C)cc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)c12 ZINC000440593785 865828284 /nfs/dbraw/zinc/82/82/84/865828284.db2.gz DLTAJAVEUZMMAB-UHFFFAOYSA-N 0 0 401.426 4.330 20 5 HIBDRN CCc1nnc(-c2cccc(NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])c2)o1 ZINC000440594261 865828997 /nfs/dbraw/zinc/82/89/97/865828997.db2.gz LHJUJWAJCRIELD-UHFFFAOYSA-N 0 0 414.443 4.190 20 5 HIBDRN C[C@@H](SCCC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000440601403 865832382 /nfs/dbraw/zinc/83/23/82/865832382.db2.gz SWOWJXYJOJKXCH-SNVBAGLBSA-N 0 0 422.425 4.406 20 5 HIBDRN Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000440605905 865834828 /nfs/dbraw/zinc/83/48/28/865834828.db2.gz ZHQJFTKGTOHMIW-UHFFFAOYSA-N 0 0 405.410 4.059 20 5 HIBDRN O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000440612212 865838049 /nfs/dbraw/zinc/83/80/49/865838049.db2.gz MAVZSGIMXUJFBP-UHFFFAOYSA-N 0 0 422.828 5.023 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(OCC4CC4)CC3)cc2[N+](=O)[O-])C1 ZINC000440612973 865838982 /nfs/dbraw/zinc/83/89/82/865838982.db2.gz KRFMSKDAYNLMPU-CALCHBBNSA-N 0 0 415.534 4.108 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NCc2ccncc2OCC(F)F)c([N+](=O)[O-])c1 ZINC000440632734 865850255 /nfs/dbraw/zinc/85/02/55/865850255.db2.gz CBNPDFWTMCXLRX-UHFFFAOYSA-N 0 0 413.380 4.477 20 5 HIBDRN COc1cc(C(=O)NCc2ccc(C)cc2OC(C)(C)C)cc([N+](=O)[O-])c1OC ZINC000440636689 865852447 /nfs/dbraw/zinc/85/24/47/865852447.db2.gz GHMNAEBGKRODGR-UHFFFAOYSA-N 0 0 402.447 4.028 20 5 HIBDRN Cc1noc(C2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000440682470 865864531 /nfs/dbraw/zinc/86/45/31/865864531.db2.gz LZKUKCGFYDHZPF-UHFFFAOYSA-N 0 0 424.482 4.457 20 5 HIBDRN CC[C@](C)(NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 ZINC000440709298 865871197 /nfs/dbraw/zinc/87/11/97/865871197.db2.gz BYBZEMXQVSRZMH-SFHVURJKSA-N 0 0 417.516 4.028 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000440743407 865885037 /nfs/dbraw/zinc/88/50/37/865885037.db2.gz AJLJAKUMSIDPCO-GOSISDBHSA-N 0 0 413.865 4.290 20 5 HIBDRN Cc1c(NC(=O)C(=O)Nc2ccc(COCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000440749178 865887899 /nfs/dbraw/zinc/88/78/99/865887899.db2.gz AKSDMGQKNVFGEX-UHFFFAOYSA-N 0 0 419.437 4.197 20 5 HIBDRN C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(OC(F)(F)F)c1 ZINC000440801701 865923347 /nfs/dbraw/zinc/92/33/47/865923347.db2.gz RHNXWQVXCUDJQJ-JTQLQIEISA-N 0 0 421.331 4.238 20 5 HIBDRN CCCCOC1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000440836590 865950569 /nfs/dbraw/zinc/95/05/69/865950569.db2.gz UPXBHCXOZGHTEP-HDICACEKSA-N 0 0 417.550 4.498 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000440847478 865955297 /nfs/dbraw/zinc/95/52/97/865955297.db2.gz VXZWXWKGAKEMBC-GOEBONIOSA-N 0 0 404.488 4.429 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N(C)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000440854593 865957925 /nfs/dbraw/zinc/95/79/25/865957925.db2.gz AHXKLZRZGIMQLU-UHFFFAOYSA-N 0 0 418.449 4.424 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000440895180 865990405 /nfs/dbraw/zinc/99/04/05/865990405.db2.gz QPOIHQJUQJFPOF-XETPZZHUSA-N 0 0 417.469 4.274 20 5 HIBDRN COc1cc2[nH]c(CCCNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2c(OC)c1 ZINC000440925496 866021809 /nfs/dbraw/zinc/02/18/09/866021809.db2.gz SLPIMJIHMKMTIS-UHFFFAOYSA-N 0 0 417.849 4.109 20 5 HIBDRN CCc1ccccc1N(C(C)=O)c1nc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)cs1 ZINC000468115119 881939506 /nfs/dbraw/zinc/93/95/06/881939506.db2.gz KWSXRGGHCWRNLK-UHFFFAOYSA-N 0 0 411.487 4.421 20 5 HIBDRN COCc1nc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c(-c2ccccc2)s1 ZINC000441065056 866149989 /nfs/dbraw/zinc/14/99/89/866149989.db2.gz ODSWDGSGAXHXTD-UHFFFAOYSA-N 0 0 420.450 4.665 20 5 HIBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(Br)s2)CC1 ZINC000441179197 866256224 /nfs/dbraw/zinc/25/62/24/866256224.db2.gz UUJASAVUBGTTDJ-CYBMUJFWSA-N 0 0 410.337 4.298 20 5 HIBDRN Cc1c(NC(=O)N(C[C@@H](C)O)[C@H](C)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000441223367 866300682 /nfs/dbraw/zinc/30/06/82/866300682.db2.gz CYTBNSBGUKBWRZ-ZIAGYGMSSA-N 0 0 405.882 4.403 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000441239095 866313706 /nfs/dbraw/zinc/31/37/06/866313706.db2.gz VNCKWNPOUDQGMC-KRWDZBQOSA-N 0 0 405.813 4.080 20 5 HIBDRN O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000441243513 866317735 /nfs/dbraw/zinc/31/77/35/866317735.db2.gz XIZBKLWKFZOTQB-UHFFFAOYSA-N 0 0 419.481 4.381 20 5 HIBDRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000441251025 866322498 /nfs/dbraw/zinc/32/24/98/866322498.db2.gz GFBAVMAJCQBMGE-LPHOPBHVSA-N 0 0 415.877 4.290 20 5 HIBDRN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000441251026 866322964 /nfs/dbraw/zinc/32/29/64/866322964.db2.gz GFBAVMAJCQBMGE-QFBILLFUSA-N 0 0 415.877 4.290 20 5 HIBDRN Cc1cc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000441307228 866378712 /nfs/dbraw/zinc/37/87/12/866378712.db2.gz UYULFAFSIUDEAO-UHFFFAOYSA-N 0 0 424.482 4.116 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[C@H]1OCCc2ccccc21 ZINC000441327053 866398123 /nfs/dbraw/zinc/39/81/23/866398123.db2.gz HBMWBLOONUECRL-QFIPXVFZSA-N 0 0 402.406 4.078 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@]3(CO)CCOc4ccccc43)o2)c(Cl)c1 ZINC000441357838 866426083 /nfs/dbraw/zinc/42/60/83/866426083.db2.gz NDQSUCBZGMLCAY-OAQYLSRUSA-N 0 0 414.845 4.268 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000441385915 866458184 /nfs/dbraw/zinc/45/81/84/866458184.db2.gz NUVPOROPWSFZLR-ZIAGYGMSSA-N 0 0 403.866 4.146 20 5 HIBDRN CC(C)c1ncc(CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cn1 ZINC000441407749 866481874 /nfs/dbraw/zinc/48/18/74/866481874.db2.gz FYMCTMJUEZWMTJ-UHFFFAOYSA-N 0 0 411.506 4.017 20 5 HIBDRN CCN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c(F)c1 ZINC000441420850 866497673 /nfs/dbraw/zinc/49/76/73/866497673.db2.gz WPLOAZVPCCMULD-UHFFFAOYSA-N 0 0 421.812 4.129 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CN[C@H](c1ccccc1)C(F)(F)F ZINC000468134266 881981964 /nfs/dbraw/zinc/98/19/64/881981964.db2.gz WGRNAVZKOWSQDQ-LJQANCHMSA-N 0 0 409.408 4.225 20 5 HIBDRN CCCN(C(=O)c1csc(I)c1)c1cccc([N+](=O)[O-])c1 ZINC000441447631 866524028 /nfs/dbraw/zinc/52/40/28/866524028.db2.gz FAXWEBYXWKPMCR-UHFFFAOYSA-N 0 0 416.240 4.318 20 5 HIBDRN CCCCN1C(=O)c2ccc(C(=O)N(CCC)c3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000441470783 866548156 /nfs/dbraw/zinc/54/81/56/866548156.db2.gz JZMJKKBQZFNZCK-UHFFFAOYSA-N 0 0 409.442 4.048 20 5 HIBDRN CCCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000441472754 866550012 /nfs/dbraw/zinc/55/00/12/866550012.db2.gz XUBRJSVTKBFVTG-IBGZPJMESA-N 0 0 409.486 4.199 20 5 HIBDRN CSc1ccc(C(=O)N[C@@H](Cn2ccnc2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000441490752 866574823 /nfs/dbraw/zinc/57/48/23/866574823.db2.gz RHWWWTUOQXRQPF-SFHVURJKSA-N 0 0 410.499 4.301 20 5 HIBDRN COC[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000441583188 866671346 /nfs/dbraw/zinc/67/13/46/866671346.db2.gz VEOGRXWQMZOVKO-SFHVURJKSA-N 0 0 403.866 4.015 20 5 HIBDRN CCNc1ccc(C(=O)N(c2cc(NC(C)=O)ccc2OC)C(C)C)cc1[N+](=O)[O-] ZINC000441604383 866697383 /nfs/dbraw/zinc/69/73/83/866697383.db2.gz MRMPSPYRIBYHMG-UHFFFAOYSA-N 0 0 414.462 4.049 20 5 HIBDRN COc1ccc(NC(C)=O)cc1N(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(C)C ZINC000441615827 866715047 /nfs/dbraw/zinc/71/50/47/866715047.db2.gz WQWJBJMZFBEGMS-UHFFFAOYSA-N 0 0 405.838 4.270 20 5 HIBDRN COc1ccc(NC(=O)N(C[C@@H](C)O)[C@@H](C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000441790802 866860463 /nfs/dbraw/zinc/86/04/63/866860463.db2.gz VBFHHVMLXDGNFN-UONOGXRCSA-N 0 0 421.881 4.103 20 5 HIBDRN Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000441862544 866929613 /nfs/dbraw/zinc/92/96/13/866929613.db2.gz XFUSHINMFNEMDT-UHFFFAOYSA-N 0 0 419.437 4.368 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)s1 ZINC000468163474 882035238 /nfs/dbraw/zinc/03/52/38/882035238.db2.gz GGPQPRCANUUDOF-SNVBAGLBSA-N 0 0 421.276 4.096 20 5 HIBDRN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000468169466 882047648 /nfs/dbraw/zinc/04/76/48/882047648.db2.gz LKSHQSPBZBEYHP-SECBINFHSA-N 0 0 401.307 4.388 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000442116087 867139150 /nfs/dbraw/zinc/13/91/50/867139150.db2.gz LFZYXXDITOPFTI-SFHVURJKSA-N 0 0 403.866 4.399 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1Br ZINC000468185764 882061884 /nfs/dbraw/zinc/06/18/84/882061884.db2.gz HTHGEHBGIUYFKW-UHFFFAOYSA-N 0 0 424.320 4.150 20 5 HIBDRN CN(C)c1ncccc1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442292979 867310291 /nfs/dbraw/zinc/31/02/91/867310291.db2.gz HAVKSEKUAKOWMX-UHFFFAOYSA-N 0 0 408.483 4.137 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000442371897 867359286 /nfs/dbraw/zinc/35/92/86/867359286.db2.gz CEJIEKBELVIQIT-GEWABHDNSA-N 0 0 401.850 4.009 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000442371899 867359520 /nfs/dbraw/zinc/35/95/20/867359520.db2.gz CEJIEKBELVIQIT-PZDGAKPMSA-N 0 0 401.850 4.009 20 5 HIBDRN CCc1c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000468199109 882078220 /nfs/dbraw/zinc/07/82/20/882078220.db2.gz NSISCPNRDLNMER-UHFFFAOYSA-N 0 0 402.357 4.197 20 5 HIBDRN Cc1cncc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000442630290 867573396 /nfs/dbraw/zinc/57/33/96/867573396.db2.gz UXJAAQHSEJDYGT-UHFFFAOYSA-N 0 0 415.446 4.141 20 5 HIBDRN O=C(Nc1cc(Br)c(F)cc1F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000468215478 882097073 /nfs/dbraw/zinc/09/70/73/882097073.db2.gz MDKMAJPPQPLUHM-UHFFFAOYSA-N 0 0 423.116 4.489 20 5 HIBDRN CCc1cc(N2CCC(Oc3ccccn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000442732889 867653988 /nfs/dbraw/zinc/65/39/88/867653988.db2.gz ZXVRKXLONHRMIL-UHFFFAOYSA-N 0 0 405.458 4.057 20 5 HIBDRN CCN(Cc1c[nH]c2ccccc12)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000442782993 867673987 /nfs/dbraw/zinc/67/39/87/867673987.db2.gz QXGPCLWSPYWMSM-UHFFFAOYSA-N 0 0 407.879 4.249 20 5 HIBDRN O=C1[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCN1C1CCCCC1 ZINC000442990691 867780936 /nfs/dbraw/zinc/78/09/36/867780936.db2.gz KGCQMVAMFFZDBN-LJQANCHMSA-N 0 0 414.531 4.132 20 5 HIBDRN CN(C)C(=O)c1ccnc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 ZINC000443103628 867820675 /nfs/dbraw/zinc/82/06/75/867820675.db2.gz LPMGUYYJJHGIRU-UHFFFAOYSA-N 0 0 422.466 4.095 20 5 HIBDRN Cn1c(=O)[nH]c2ccc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc21 ZINC000443175544 867859741 /nfs/dbraw/zinc/85/97/41/867859741.db2.gz VIYMMMCSYNFVTK-UHFFFAOYSA-N 0 0 417.425 4.052 20 5 HIBDRN Cc1c(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)sc2ccc(Cl)cc12 ZINC000443310240 867898734 /nfs/dbraw/zinc/89/87/34/867898734.db2.gz IUOHILGWKMNNRR-UHFFFAOYSA-N 0 0 421.837 4.165 20 5 HIBDRN Cc1sc(Br)c(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1C ZINC000443319559 867902328 /nfs/dbraw/zinc/90/23/28/867902328.db2.gz JATIRZYHQODLKV-UHFFFAOYSA-N 0 0 422.264 4.073 20 5 HIBDRN C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Br)s1 ZINC000443404346 867984215 /nfs/dbraw/zinc/98/42/15/867984215.db2.gz SHGRWFRARGQNPM-MRVPVSSYSA-N 0 0 422.260 4.164 20 5 HIBDRN O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(c1ncc([N+](=O)[O-])s1)C2 ZINC000443511194 868074460 /nfs/dbraw/zinc/07/44/60/868074460.db2.gz PYZIQHGPMMHKPI-UHFFFAOYSA-N 0 0 413.434 4.397 20 5 HIBDRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000443634119 868212253 /nfs/dbraw/zinc/21/22/53/868212253.db2.gz YBVHWUDAPJTSKH-UHFFFAOYSA-N 0 0 409.299 4.099 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443638460 868221743 /nfs/dbraw/zinc/22/17/43/868221743.db2.gz INDBJJITDKOWCT-AWEZNQCLSA-N 0 0 412.421 4.002 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H](c4nc5ccc(F)cc5o4)C3)n2)c1 ZINC000443641478 868224453 /nfs/dbraw/zinc/22/44/53/868224453.db2.gz PTVIFCASXZHSTH-AWEZNQCLSA-N 0 0 423.404 4.305 20 5 HIBDRN O=C(CN(Cc1csc(Br)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000443644759 868232633 /nfs/dbraw/zinc/23/26/33/868232633.db2.gz GLZVDQQFKKPFNX-UHFFFAOYSA-N 0 0 410.293 4.022 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N2CC[C@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443657736 868258086 /nfs/dbraw/zinc/25/80/86/868258086.db2.gz UPEGVGKHFPQLOV-GJZGRUSLSA-N 0 0 403.866 4.037 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000443835184 868366103 /nfs/dbraw/zinc/36/61/03/868366103.db2.gz FLCBYUFGNWWCEP-GFCCVEGCSA-N 0 0 423.391 4.089 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(-c2ccc(F)cc2)n1 ZINC000443838374 868369870 /nfs/dbraw/zinc/36/98/70/868369870.db2.gz FZJGRNMWIAOVEJ-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN C[C@@H]1CN(c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000443885473 868422001 /nfs/dbraw/zinc/42/20/01/868422001.db2.gz ZDOHOQVZDJXOHD-CHWSQXEVSA-N 0 0 423.391 4.480 20 5 HIBDRN COC(=O)c1cc(N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc(C)c1[N+](=O)[O-] ZINC000443891153 868428345 /nfs/dbraw/zinc/42/83/45/868428345.db2.gz YWRAPEVETCTVIU-ZDUSSCGKSA-N 0 0 413.405 4.354 20 5 HIBDRN Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000443898512 868434764 /nfs/dbraw/zinc/43/47/64/868434764.db2.gz IIKDXRDLNISPQD-UHFFFAOYSA-N 0 0 409.446 4.152 20 5 HIBDRN Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443897965 868434958 /nfs/dbraw/zinc/43/49/58/868434958.db2.gz IGARFLXLNDTLAP-UHFFFAOYSA-N 0 0 423.391 4.007 20 5 HIBDRN CCOC(=O)c1ccnc(NCCc2nc(-c3ccccc3)c(C)s2)c1[N+](=O)[O-] ZINC000443936964 868474775 /nfs/dbraw/zinc/47/47/75/868474775.db2.gz AOPDJJMGROEXKK-UHFFFAOYSA-N 0 0 412.471 4.253 20 5 HIBDRN O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443947268 868483873 /nfs/dbraw/zinc/48/38/73/868483873.db2.gz KONLHANPZNFOQP-UHFFFAOYSA-N 0 0 412.339 4.188 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000443949186 868485356 /nfs/dbraw/zinc/48/53/56/868485356.db2.gz OIMMQKQHZDLILI-UHFFFAOYSA-N 0 0 404.854 4.405 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000443952817 868487622 /nfs/dbraw/zinc/48/76/22/868487622.db2.gz YEURXHJPQLUDPS-HNNXBMFYSA-N 0 0 405.838 4.291 20 5 HIBDRN COc1cccc(-c2noc([C@@H](C)NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)n2)c1 ZINC000443961907 868494887 /nfs/dbraw/zinc/49/48/87/868494887.db2.gz KXKRDOHGIRFPSN-CYBMUJFWSA-N 0 0 411.418 4.153 20 5 HIBDRN CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000443960573 868495441 /nfs/dbraw/zinc/49/54/41/868495441.db2.gz GXECSKFLQUCULQ-SFHVURJKSA-N 0 0 418.465 4.481 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(SC)cc1 ZINC000443962519 868496203 /nfs/dbraw/zinc/49/62/03/868496203.db2.gz SOHJCLMBFSRZDP-MRXNPFEDSA-N 0 0 417.487 4.359 20 5 HIBDRN COCc1cc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)ccc1F ZINC000444002779 868523940 /nfs/dbraw/zinc/52/39/40/868523940.db2.gz GTFHXWFCQWCHID-UHFFFAOYSA-N 0 0 408.404 4.036 20 5 HIBDRN O=C(NC[C@H]1CCc2ccccc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444005063 868526828 /nfs/dbraw/zinc/52/68/28/868526828.db2.gz OROROBCRFCCMCX-CQSZACIVSA-N 0 0 404.416 4.419 20 5 HIBDRN Cc1nc(C)c(CCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)s1 ZINC000444006760 868528960 /nfs/dbraw/zinc/52/89/60/868528960.db2.gz CTWRSTNQCPBANW-UHFFFAOYSA-N 0 0 413.449 4.005 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1C(=O)NC(C)C ZINC000444010822 868534050 /nfs/dbraw/zinc/53/40/50/868534050.db2.gz OAMPQIWDANFEDI-UHFFFAOYSA-N 0 0 413.477 4.380 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(CCCO)[C@H]1CCc2ccccc21 ZINC000444025182 868554037 /nfs/dbraw/zinc/55/40/37/868554037.db2.gz ZRHYGIGOVKCBQO-KRWDZBQOSA-N 0 0 421.400 4.100 20 5 HIBDRN O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444032239 868565761 /nfs/dbraw/zinc/56/57/61/868565761.db2.gz OTBDWTIBERRXOI-INIZCTEOSA-N 0 0 415.468 4.219 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000444073381 868602706 /nfs/dbraw/zinc/60/27/06/868602706.db2.gz GGFMLYIIKKUYQI-UHFFFAOYSA-N 0 0 418.368 4.106 20 5 HIBDRN CCO[C@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C12CCC2 ZINC000444070694 868602742 /nfs/dbraw/zinc/60/27/42/868602742.db2.gz DRUFRTJBGHSVJJ-ROUUACIJSA-N 0 0 412.436 4.037 20 5 HIBDRN C[C@@H](CCc1cccn1C)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444078158 868605843 /nfs/dbraw/zinc/60/58/43/868605843.db2.gz CVOWLYRLGXPOGQ-ZDUSSCGKSA-N 0 0 409.436 4.049 20 5 HIBDRN COc1cccc(OCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444083127 868606544 /nfs/dbraw/zinc/60/65/44/868606544.db2.gz OXXHRYHSJMFJAH-UHFFFAOYSA-N 0 0 420.440 4.028 20 5 HIBDRN C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Br)s1 ZINC000444094816 868614369 /nfs/dbraw/zinc/61/43/69/868614369.db2.gz BJAVJPXUUKXWLY-JTQLQIEISA-N 0 0 410.293 4.248 20 5 HIBDRN C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Oc1ccc(F)cc1 ZINC000444099134 868616078 /nfs/dbraw/zinc/61/60/78/868616078.db2.gz JHYMAGALXQKNAH-CYBMUJFWSA-N 0 0 408.404 4.157 20 5 HIBDRN CCS[C@H]1CCC[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444107876 868622375 /nfs/dbraw/zinc/62/23/75/868622375.db2.gz WVFDLTLFMDIDIG-SJORKVTESA-N 0 0 402.466 4.364 20 5 HIBDRN C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc(Cc2ccccc2)no1 ZINC000444185384 868655931 /nfs/dbraw/zinc/65/59/31/868655931.db2.gz PZJSLOSMQTYMNT-OAHLLOKOSA-N 0 0 424.460 4.146 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[C@@H](C)CO2)c1 ZINC000444199767 868661486 /nfs/dbraw/zinc/66/14/86/868661486.db2.gz SAGKRHIJXQMVLK-HTAPYJJXSA-N 0 0 411.502 4.311 20 5 HIBDRN CCc1noc(CC)c1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444219507 868671687 /nfs/dbraw/zinc/67/16/87/868671687.db2.gz BBOGTLYJBKIPNL-UHFFFAOYSA-N 0 0 411.408 4.002 20 5 HIBDRN COc1cccc2c1CC[C@@H]2NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444228859 868677556 /nfs/dbraw/zinc/67/75/56/868677556.db2.gz UXQHPFMXIYWXIZ-IBGZPJMESA-N 0 0 402.425 4.246 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000444231235 868680418 /nfs/dbraw/zinc/68/04/18/868680418.db2.gz BWRIWRCSQSTTIR-RBUKOAKNSA-N 0 0 414.477 4.460 20 5 HIBDRN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444244630 868692391 /nfs/dbraw/zinc/69/23/91/868692391.db2.gz WUDLFQQURGBVSH-ZDUSSCGKSA-N 0 0 420.415 4.351 20 5 HIBDRN O=C(Nc1cc(-c2ccc(Cl)s2)[nH]n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444247415 868695189 /nfs/dbraw/zinc/69/51/89/868695189.db2.gz MWWJBDTWLSGIHR-UHFFFAOYSA-N 0 0 420.881 5.039 20 5 HIBDRN C[C@H](Cc1cccc(O)c1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444249765 868696510 /nfs/dbraw/zinc/69/65/10/868696510.db2.gz ONSMHAVAEPVZOA-GFCCVEGCSA-N 0 0 408.404 4.026 20 5 HIBDRN Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444251509 868698300 /nfs/dbraw/zinc/69/83/00/868698300.db2.gz YDISFZYFFXYHIP-JTQLQIEISA-N 0 0 411.408 4.098 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2ccc(F)cc2C1 ZINC000444251248 868698539 /nfs/dbraw/zinc/69/85/39/868698539.db2.gz QMBVQARARKPIHF-UHFFFAOYSA-N 0 0 408.379 4.297 20 5 HIBDRN Cc1noc(C)c1[C@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444252330 868699894 /nfs/dbraw/zinc/69/98/94/868699894.db2.gz ZWZIAAJANSIHHX-SNVBAGLBSA-N 0 0 411.408 4.098 20 5 HIBDRN Cc1cccc2[nH]c(CNC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)nc21 ZINC000444287964 868717973 /nfs/dbraw/zinc/71/79/73/868717973.db2.gz KPRKQGMRAKQIOZ-UHFFFAOYSA-N 0 0 418.403 4.074 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444292805 868721622 /nfs/dbraw/zinc/72/16/22/868721622.db2.gz SOSGUCCXPCKAQZ-ZAMGYDSWSA-N 0 0 422.431 4.466 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000444293292 868721993 /nfs/dbraw/zinc/72/19/93/868721993.db2.gz WKXRUBPJVGTUMB-UHFFFAOYSA-N 0 0 420.472 4.066 20 5 HIBDRN COC1CCC(CCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444313541 868742706 /nfs/dbraw/zinc/74/27/06/868742706.db2.gz NYYOSGPACFFINL-UHFFFAOYSA-N 0 0 414.452 4.285 20 5 HIBDRN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444314602 868744679 /nfs/dbraw/zinc/74/46/79/868744679.db2.gz JAXZSGMTNCTEGV-LJQANCHMSA-N 0 0 411.505 4.422 20 5 HIBDRN CCSc1cc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)ccn1 ZINC000444330720 868757673 /nfs/dbraw/zinc/75/76/73/868757673.db2.gz SURLIZARKZICHY-UHFFFAOYSA-N 0 0 407.470 4.257 20 5 HIBDRN COC1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCCCC1 ZINC000444343225 868774227 /nfs/dbraw/zinc/77/42/27/868774227.db2.gz YXXXXHBHBUYSPT-UHFFFAOYSA-N 0 0 400.425 4.039 20 5 HIBDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000444347339 868780118 /nfs/dbraw/zinc/78/01/18/868780118.db2.gz VHBOSCOXRUKFAM-UHFFFAOYSA-N 0 0 419.503 4.231 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1ncn(C)n1 ZINC000444372646 868798939 /nfs/dbraw/zinc/79/89/39/868798939.db2.gz QPKTVGGUSQXSDZ-NSHDSACASA-N 0 0 417.878 4.019 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000444400607 868811824 /nfs/dbraw/zinc/81/18/24/868811824.db2.gz OHSUTLMKQXPNCP-GUYCJALGSA-N 0 0 406.891 4.329 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000444410242 868815059 /nfs/dbraw/zinc/81/50/59/868815059.db2.gz LXIIGSKNZSYHOC-XCLFUZPHSA-N 0 0 415.877 4.425 20 5 HIBDRN O=C(Nc1ccc(Nc2ncccn2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000444419105 868820897 /nfs/dbraw/zinc/82/08/97/868820897.db2.gz MXUKBJMOOBPFGQ-UHFFFAOYSA-N 0 0 414.219 4.143 20 5 HIBDRN Cc1nn(C)c(C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000444433136 868826341 /nfs/dbraw/zinc/82/63/41/868826341.db2.gz OPQJSZOVCGEBDV-NSHDSACASA-N 0 0 424.301 4.079 20 5 HIBDRN CCCCCn1nc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c2ccccc2c1=O ZINC000444471023 868842675 /nfs/dbraw/zinc/84/26/75/868842675.db2.gz FJXOFRDTVBYFPS-UHFFFAOYSA-N 0 0 408.458 4.364 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000444512925 868864733 /nfs/dbraw/zinc/86/47/33/868864733.db2.gz XDCULXIJVSFAEW-RBUKOAKNSA-N 0 0 419.485 4.006 20 5 HIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000444600274 868897926 /nfs/dbraw/zinc/89/79/26/868897926.db2.gz SZHXRZAPFGQXPT-HNNXBMFYSA-N 0 0 407.474 4.384 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CN3CCCC[C@@H]3c3nc(-c4ccccc4)no3)nc2c1 ZINC000444603657 868899568 /nfs/dbraw/zinc/89/95/68/868899568.db2.gz VSIOYMVMIOERFR-GOSISDBHSA-N 0 0 404.430 4.248 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444625092 868916167 /nfs/dbraw/zinc/91/61/67/868916167.db2.gz GZNPUZBHKHVAHI-OAQYLSRUSA-N 0 0 410.514 4.007 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444625091 868916668 /nfs/dbraw/zinc/91/66/68/868916668.db2.gz GZNPUZBHKHVAHI-NRFANRHFSA-N 0 0 410.514 4.007 20 5 HIBDRN COc1ccc(Nc2ccccc2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444637143 868923651 /nfs/dbraw/zinc/92/36/51/868923651.db2.gz PAJIUXBVJQSWJD-UHFFFAOYSA-N 0 0 417.425 4.153 20 5 HIBDRN C[C@@H](N[C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000444656934 868934959 /nfs/dbraw/zinc/93/49/59/868934959.db2.gz IVIVBEOFMLZCRA-NWDGAFQWSA-N 0 0 403.389 4.017 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2nc3ccccc3n2C(F)F)cccc1[N+](=O)[O-] ZINC000444661047 868938708 /nfs/dbraw/zinc/93/87/08/868938708.db2.gz HDOWYZFWASVODY-CHWSQXEVSA-N 0 0 417.416 4.326 20 5 HIBDRN COc1ccc([C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2ccc(F)cc2)cc1 ZINC000444664480 868943742 /nfs/dbraw/zinc/94/37/42/868943742.db2.gz NXGSLGUVIIWKBU-QFIPXVFZSA-N 0 0 406.417 4.498 20 5 HIBDRN C[C@@H](N[C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444664603 868943934 /nfs/dbraw/zinc/94/39/34/868943934.db2.gz MSZCIRWKUSYZMX-NWDGAFQWSA-N 0 0 403.389 4.017 20 5 HIBDRN O=C(Nc1ccc(N2CCCCC2)nc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444830116 869036779 /nfs/dbraw/zinc/03/67/79/869036779.db2.gz QRYXHTNMUJYTIW-UHFFFAOYSA-N 0 0 411.281 4.056 20 5 HIBDRN CN(CCOc1ccccc1Cl)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444829390 869036997 /nfs/dbraw/zinc/03/69/97/869036997.db2.gz QZRYXHUHWQCXSG-UHFFFAOYSA-N 0 0 406.869 4.486 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccccc1N1CCCCCC1 ZINC000444833268 869039601 /nfs/dbraw/zinc/03/96/01/869039601.db2.gz BERHMLZXROZLQG-UHFFFAOYSA-N 0 0 408.462 4.173 20 5 HIBDRN C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444844974 869048935 /nfs/dbraw/zinc/04/89/35/869048935.db2.gz DQCBPCIVPRUINV-HNNXBMFYSA-N 0 0 414.461 4.161 20 5 HIBDRN O=C(NCC1(c2ccccc2)CCOCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444859128 869060430 /nfs/dbraw/zinc/06/04/30/869060430.db2.gz MSJINKUSSFJMDS-UHFFFAOYSA-N 0 0 412.489 4.160 20 5 HIBDRN Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000444875435 869071869 /nfs/dbraw/zinc/07/18/69/869071869.db2.gz KVSHLBYULAERAL-MRXNPFEDSA-N 0 0 410.396 4.308 20 5 HIBDRN CCCOc1ccc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000444892954 869081242 /nfs/dbraw/zinc/08/12/42/869081242.db2.gz DIWBXIKOLFKNOP-ZDUSSCGKSA-N 0 0 403.435 4.284 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000444899693 869086824 /nfs/dbraw/zinc/08/68/24/869086824.db2.gz HXPBLZYYNPKNEQ-UHFFFAOYSA-N 0 0 405.414 4.163 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000444911465 869098822 /nfs/dbraw/zinc/09/88/22/869098822.db2.gz ICHLMAVWKLCDRD-UHFFFAOYSA-N 0 0 406.442 4.275 20 5 HIBDRN CCCc1c(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cnn1-c1cc(C)ccn1 ZINC000444917780 869102180 /nfs/dbraw/zinc/10/21/80/869102180.db2.gz FYDHLWUZYYZGJH-UHFFFAOYSA-N 0 0 410.434 4.089 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H](C)c2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000444925237 869108259 /nfs/dbraw/zinc/10/82/59/869108259.db2.gz OSUUPDZHBGPYBU-QMMMGPOBSA-N 0 0 400.254 4.310 20 5 HIBDRN CC(C)(O)COc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000444999806 869154169 /nfs/dbraw/zinc/15/41/69/869154169.db2.gz MFYJRWDFWKLFJL-UHFFFAOYSA-N 0 0 402.450 4.083 20 5 HIBDRN O=C(NC[C@@H]1SCCc2ccccc21)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445003564 869157784 /nfs/dbraw/zinc/15/77/84/869157784.db2.gz AAHBGROJMZNOOE-NRFANRHFSA-N 0 0 400.503 4.442 20 5 HIBDRN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 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ZINC000445970786 869940867 /nfs/dbraw/zinc/94/08/67/869940867.db2.gz HOXBKHHZEASSFQ-NRFANRHFSA-N 0 0 417.421 4.397 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1-c1nc(Cc2ccc(OCC(F)(F)F)nc2)no1 ZINC000446007540 869972915 /nfs/dbraw/zinc/97/29/15/869972915.db2.gz QELIWHJPCCZCMD-UHFFFAOYSA-N 0 0 414.727 4.225 20 5 HIBDRN O=[N+]([O-])c1cccc(-n2ccc(-c3nc([C@H]4CSc5ccccc5O4)no3)n2)c1 ZINC000446009086 869974716 /nfs/dbraw/zinc/97/47/16/869974716.db2.gz APDRJDDQQKIPTA-MRXNPFEDSA-N 0 0 407.411 4.056 20 5 HIBDRN CC(C)N(Cc1cccc(F)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446010593 869977155 /nfs/dbraw/zinc/97/71/55/869977155.db2.gz KDKBWHDJNBLPKS-UHFFFAOYSA-N 0 0 409.255 4.476 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000446030419 869995906 /nfs/dbraw/zinc/99/59/06/869995906.db2.gz FPMNRXJQRLOGSK-CQSZACIVSA-N 0 0 421.266 4.130 20 5 HIBDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446031524 869995980 /nfs/dbraw/zinc/99/59/80/869995980.db2.gz NAVOHJYWSPOJQU-CYBMUJFWSA-N 0 0 418.291 4.019 20 5 HIBDRN CN(C)C(=O)c1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1Cl ZINC000446102041 870049684 /nfs/dbraw/zinc/04/96/84/870049684.db2.gz XJXOVZSNNBCLHD-UHFFFAOYSA-N 0 0 419.868 4.289 20 5 HIBDRN Cc1ccccc1[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446130474 870074657 /nfs/dbraw/zinc/07/46/57/870074657.db2.gz HXMYGOCSSSXACN-HNNXBMFYSA-N 0 0 403.276 4.224 20 5 HIBDRN CCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000446161487 870100571 /nfs/dbraw/zinc/10/05/71/870100571.db2.gz MEQXIRCLTYZDKU-UHFFFAOYSA-N 0 0 423.513 4.071 20 5 HIBDRN CCN(Cc1c(F)cccc1F)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446163744 870103210 /nfs/dbraw/zinc/10/32/10/870103210.db2.gz VAMLWDVKDAKHNO-UHFFFAOYSA-N 0 0 413.218 4.227 20 5 HIBDRN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000446191362 870124911 /nfs/dbraw/zinc/12/49/11/870124911.db2.gz IZWHHHJQJBZGLE-AWEZNQCLSA-N 0 0 402.425 4.212 20 5 HIBDRN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446197973 870130427 /nfs/dbraw/zinc/13/04/27/870130427.db2.gz QRDQHXQPZDJALZ-GUYCJALGSA-N 0 0 403.276 4.304 20 5 HIBDRN CC(C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)c(F)c1 ZINC000446200084 870134357 /nfs/dbraw/zinc/13/43/57/870134357.db2.gz DYYOCPHLJKUNFE-UHFFFAOYSA-N 0 0 413.218 4.230 20 5 HIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000446211295 870145561 /nfs/dbraw/zinc/14/55/61/870145561.db2.gz NRSBGHSYPXSGKN-UHFFFAOYSA-N 0 0 404.470 4.163 20 5 HIBDRN CCNc1ccc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000446248621 870190780 /nfs/dbraw/zinc/19/07/80/870190780.db2.gz LWXAPXWDUVZBDA-BFUOFWGJSA-N 0 0 403.866 4.282 20 5 HIBDRN CC(C)c1c(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cnn1-c1ccccc1 ZINC000446250144 870192022 /nfs/dbraw/zinc/19/20/22/870192022.db2.gz VDMKMZRFMLABID-UHFFFAOYSA-N 0 0 419.445 4.102 20 5 HIBDRN Cc1cc(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(C)c1Br ZINC000446294965 870222694 /nfs/dbraw/zinc/22/26/94/870222694.db2.gz HKLPFLTWBVMLRV-UHFFFAOYSA-N 0 0 418.251 4.172 20 5 HIBDRN COc1cccc(C)c1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000446294296 870223101 /nfs/dbraw/zinc/22/31/01/870223101.db2.gz XKDXYNSKYWEBIJ-UHFFFAOYSA-N 0 0 412.368 4.164 20 5 HIBDRN CCc1noc(CC)c1CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000446299768 870226462 /nfs/dbraw/zinc/22/64/62/870226462.db2.gz UVPZRIVDNSSHJU-UHFFFAOYSA-N 0 0 417.409 4.135 20 5 HIBDRN CN(CCOCC1CC1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000446418124 870327702 /nfs/dbraw/zinc/32/77/02/870327702.db2.gz FKXWENDEPDHLBQ-UHFFFAOYSA-N 0 0 417.893 4.359 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N1CCc3ccc([N+](=O)[O-])cc3C1)O[C@@H](C)C2 ZINC000446426453 870341615 /nfs/dbraw/zinc/34/16/15/870341615.db2.gz QHKINWZIVZBDKW-JBYOLUDKSA-N 0 0 422.481 4.005 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000446428574 870346004 /nfs/dbraw/zinc/34/60/04/870346004.db2.gz WHOPSZYSLHAUEZ-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN CC(C)c1noc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])n1 ZINC000446428961 870346558 /nfs/dbraw/zinc/34/65/58/870346558.db2.gz BYRGLLWMPHIOFP-UHFFFAOYSA-N 0 0 410.430 4.252 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cc2c(cn1)OCCC2 ZINC000446432936 870351467 /nfs/dbraw/zinc/35/14/67/870351467.db2.gz MKPVPXOHTCBGEJ-UHFFFAOYSA-N 0 0 405.410 4.146 20 5 HIBDRN Cc1nn(CC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c(C)c1Cl ZINC000446433764 870352493 /nfs/dbraw/zinc/35/24/93/870352493.db2.gz DJZPZPRVNFEBGC-UHFFFAOYSA-N 0 0 414.849 4.279 20 5 HIBDRN O=C(Cc1ccc2c(c1)CCO2)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446434738 870353514 /nfs/dbraw/zinc/35/35/14/870353514.db2.gz NXVCDTHGFYOECD-UHFFFAOYSA-N 0 0 404.422 4.290 20 5 HIBDRN O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446435122 870353684 /nfs/dbraw/zinc/35/36/84/870353684.db2.gz UPIMSRUEJISCLX-UHFFFAOYSA-N 0 0 420.421 4.126 20 5 HIBDRN COc1ccc(OC)c(CC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000446436579 870356415 /nfs/dbraw/zinc/35/64/15/870356415.db2.gz TVUJTYNEUYIWRH-UHFFFAOYSA-N 0 0 422.437 4.372 20 5 HIBDRN O=C(Nc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1)c1ccccc1 ZINC000446438538 870357239 /nfs/dbraw/zinc/35/72/39/870357239.db2.gz KMWIJISHTHMTJS-UHFFFAOYSA-N 0 0 401.422 4.046 20 5 HIBDRN CCOc1ccc(-c2nc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cs2)cc1 ZINC000446442749 870363670 /nfs/dbraw/zinc/36/36/70/870363670.db2.gz UYDDXVBKMJJGCL-UHFFFAOYSA-N 0 0 409.467 4.316 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(N2CCCC2)c1 ZINC000446483812 870395418 /nfs/dbraw/zinc/39/54/18/870395418.db2.gz DYNKQHYSZGFOCC-CYBMUJFWSA-N 0 0 418.291 4.449 20 5 HIBDRN COC(=O)c1ccc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(F)(F)F)cc1 ZINC000446485581 870399003 /nfs/dbraw/zinc/39/90/03/870399003.db2.gz PEHVYAQCWXDOKZ-HNNXBMFYSA-N 0 0 411.336 4.115 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000446490453 870404327 /nfs/dbraw/zinc/40/43/27/870404327.db2.gz MDWKPUGRKRFUNV-QGZVFWFLSA-N 0 0 408.502 4.286 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000446560573 870472532 /nfs/dbraw/zinc/47/25/32/870472532.db2.gz ZFNDNBOHGZGAGO-UHFFFAOYSA-N 0 0 413.449 4.342 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000446611262 870513930 /nfs/dbraw/zinc/51/39/30/870513930.db2.gz NZRYLHSYVOVDJN-RRFJBIMHSA-N 0 0 400.431 4.034 20 5 HIBDRN O=C(Nc1ccc(Cl)c(Br)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000446619275 870520363 /nfs/dbraw/zinc/52/03/63/870520363.db2.gz DJMIAZQUNZWPTH-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(Cl)c(Br)c2)cc([N+](=O)[O-])c1 ZINC000446625491 870530275 /nfs/dbraw/zinc/53/02/75/870530275.db2.gz RRQWXSHXTUANEH-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)cccc1[N+](=O)[O-] ZINC000446630633 870535449 /nfs/dbraw/zinc/53/54/49/870535449.db2.gz GIUQCZJMTWDAAC-FQEVSTJZSA-N 0 0 417.465 4.091 20 5 HIBDRN O=C(NC[C@@H]1CCSC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000468470610 882423391 /nfs/dbraw/zinc/42/33/91/882423391.db2.gz BUXHNLRGFZLHPY-ZDUSSCGKSA-N 0 0 405.907 4.343 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1nc(-c3cc(Br)cs3)no1)CC2 ZINC000446735809 870645592 /nfs/dbraw/zinc/64/55/92/870645592.db2.gz LWSDYAYZLVQESH-UHFFFAOYSA-N 0 0 421.276 4.027 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000446762791 870677243 /nfs/dbraw/zinc/67/72/43/870677243.db2.gz WAGNMPVAMIYEFM-UHFFFAOYSA-N 0 0 419.684 4.261 20 5 HIBDRN O=[N+]([O-])c1cccc(CNCc2ccc(Cl)cc2I)c1 ZINC000446836851 870755078 /nfs/dbraw/zinc/75/50/78/870755078.db2.gz TUMBIUABAGLRSL-UHFFFAOYSA-N 0 0 402.619 4.143 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000446891740 870811513 /nfs/dbraw/zinc/81/15/13/870811513.db2.gz CCGXILZWUVYZAP-UHFFFAOYSA-N 0 0 420.256 4.046 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000446898542 870817173 /nfs/dbraw/zinc/81/71/73/870817173.db2.gz MDFVTABTGHXRLY-OPYAIIAOSA-N 0 0 419.485 4.339 20 5 HIBDRN COc1cc(Br)cc(C)c1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446899070 870817532 /nfs/dbraw/zinc/81/75/32/870817532.db2.gz GQBSAWRNOUGRDU-UHFFFAOYSA-N 0 0 420.263 4.265 20 5 HIBDRN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446914011 870829662 /nfs/dbraw/zinc/82/96/62/870829662.db2.gz JRZRCSGFLUGXQG-XLIONFOSSA-N 0 0 407.474 4.339 20 5 HIBDRN O=C(Nc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1)c1ccco1 ZINC000446928969 870841212 /nfs/dbraw/zinc/84/12/12/870841212.db2.gz OGRXNWJTWWNUCE-UHFFFAOYSA-N 0 0 406.398 4.030 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000446945243 870853804 /nfs/dbraw/zinc/85/38/04/870853804.db2.gz DDOZJVZTRKQZFY-CQSZACIVSA-N 0 0 414.405 4.009 20 5 HIBDRN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446949385 870856326 /nfs/dbraw/zinc/85/63/26/870856326.db2.gz UXZKWXCQCKTFOW-UHFFFAOYSA-N 0 0 408.380 4.270 20 5 HIBDRN CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447008212 870888838 /nfs/dbraw/zinc/88/88/38/870888838.db2.gz SRDKPFDFVLLVOJ-UHFFFAOYSA-N 0 0 413.293 4.189 20 5 HIBDRN CN(CCCCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447025316 870900754 /nfs/dbraw/zinc/90/07/54/870900754.db2.gz CMKIQPMWPAOIEM-UHFFFAOYSA-N 0 0 416.421 4.257 20 5 HIBDRN CC(C)N(Cc1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447028493 870903699 /nfs/dbraw/zinc/90/36/99/870903699.db2.gz HXQIHNCSNUEGSX-UHFFFAOYSA-N 0 0 420.384 4.352 20 5 HIBDRN CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447033122 870909475 /nfs/dbraw/zinc/90/94/75/870909475.db2.gz DRZYXQNZCFZTRZ-UHFFFAOYSA-N 0 0 422.812 4.478 20 5 HIBDRN CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000468485703 882456673 /nfs/dbraw/zinc/45/66/73/882456673.db2.gz ZARGWYUDTFJNKK-UHFFFAOYSA-N 0 0 412.877 4.489 20 5 HIBDRN Cc1ccnc(Oc2ccc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2)n1 ZINC000447068674 870948460 /nfs/dbraw/zinc/94/84/60/870948460.db2.gz MHGPQWRPCDWWOQ-UHFFFAOYSA-N 0 0 405.414 4.076 20 5 HIBDRN CCOc1cc(N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000447184286 871076022 /nfs/dbraw/zinc/07/60/22/871076022.db2.gz NAGSNBCPYDIMCA-MRXNPFEDSA-N 0 0 409.442 4.139 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CCCOCC1 ZINC000447198263 871091392 /nfs/dbraw/zinc/09/13/92/871091392.db2.gz HBBRALLMDGMJKU-CYBMUJFWSA-N 0 0 418.471 4.255 20 5 HIBDRN CC(C)[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000447197600 871091591 /nfs/dbraw/zinc/09/15/91/871091591.db2.gz ATEGEWZYEXIETC-ZDUSSCGKSA-N 0 0 423.292 4.422 20 5 HIBDRN COc1cc(N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)ccc1[N+](=O)[O-] ZINC000447197534 871091766 /nfs/dbraw/zinc/09/17/66/871091766.db2.gz BTSFSDJRCSARIF-IBGZPJMESA-N 0 0 405.454 4.155 20 5 HIBDRN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447333516 871226498 /nfs/dbraw/zinc/22/64/98/871226498.db2.gz NFXGBQGPWKIERY-UHFFFAOYSA-N 0 0 422.416 4.189 20 5 HIBDRN COC(=O)[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000447394849 871303319 /nfs/dbraw/zinc/30/33/19/871303319.db2.gz HFMZZAGTHROCHR-HNNXBMFYSA-N 0 0 402.756 4.271 20 5 HIBDRN Cc1ccc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1C(=O)N(C)C(C)C ZINC000447413887 871320705 /nfs/dbraw/zinc/32/07/05/871320705.db2.gz RBLXMTFSSJNGFU-UHFFFAOYSA-N 0 0 409.446 4.046 20 5 HIBDRN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2Nc2cnn(-c3ncc(Cl)cc3Cl)c2)n1 ZINC000447591855 871497945 /nfs/dbraw/zinc/49/79/45/871497945.db2.gz FVBWABLFUVBSBZ-GJZGRUSLSA-N 0 0 422.276 4.275 20 5 HIBDRN C[NH+](C)Cc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1F ZINC000447674045 871605384 /nfs/dbraw/zinc/60/53/84/871605384.db2.gz YOVRGHGKWXADSP-UHFFFAOYSA-N 0 0 422.329 4.457 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1cc(F)cc2c1OCOC2 ZINC000447675232 871609353 /nfs/dbraw/zinc/60/93/53/871609353.db2.gz LTMAYQVCTPIZKS-UHFFFAOYSA-N 0 0 423.269 4.262 20 5 HIBDRN Cn1nc(CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c2ccccc21 ZINC000447679515 871611752 /nfs/dbraw/zinc/61/17/52/871611752.db2.gz DIXGKZBDIGOYLM-UHFFFAOYSA-N 0 0 415.322 4.185 20 5 HIBDRN CC[S@](=O)[C@H]1CCC[C@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447681773 871613640 /nfs/dbraw/zinc/61/36/40/871613640.db2.gz ROHFJIRUCQDGTE-RPIAUOFESA-N 0 0 415.384 4.136 20 5 HIBDRN CC(C)Oc1cc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])ccn1 ZINC000447683773 871617389 /nfs/dbraw/zinc/61/73/89/871617389.db2.gz TVHIFHWPOXSXHF-UHFFFAOYSA-N 0 0 406.311 4.438 20 5 HIBDRN Cc1cccc(C)c1NC(=O)CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447691253 871625844 /nfs/dbraw/zinc/62/58/44/871625844.db2.gz PUHRUYXMYQCVRT-UHFFFAOYSA-N 0 0 418.322 4.311 20 5 HIBDRN COc1ccc(OCCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 ZINC000447691216 871625865 /nfs/dbraw/zinc/62/58/65/871625865.db2.gz PJSBBAXCDXPWPL-UHFFFAOYSA-N 0 0 407.295 4.143 20 5 HIBDRN CCOc1cccc(NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000447695284 871634045 /nfs/dbraw/zinc/63/40/45/871634045.db2.gz WFEQUVUZEWHRJS-UHFFFAOYSA-N 0 0 418.393 4.028 20 5 HIBDRN Cc1sc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC000447695740 871635960 /nfs/dbraw/zinc/63/59/60/871635960.db2.gz NTVAXVYZMVWVSE-UHFFFAOYSA-N 0 0 424.320 4.444 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccc(-c2cccnc2)cc1 ZINC000447806233 871739765 /nfs/dbraw/zinc/73/97/65/871739765.db2.gz MQEOXADLWWGGMA-UHFFFAOYSA-N 0 0 404.470 4.101 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Sc1nnc(-c2ccc(OC)cc2)o1 ZINC000447818269 871747155 /nfs/dbraw/zinc/74/71/55/871747155.db2.gz RULCONBCXGQSGC-UHFFFAOYSA-N 0 0 421.818 4.245 20 5 HIBDRN O=C(CN(CCC(F)(F)F)CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447836059 871761939 /nfs/dbraw/zinc/76/19/39/871761939.db2.gz PHNRQWDBVDIOHM-UHFFFAOYSA-N 0 0 407.698 4.003 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc1OC ZINC000447863664 871786548 /nfs/dbraw/zinc/78/65/48/871786548.db2.gz AFEQZXLSFFNMEC-UHFFFAOYSA-N 0 0 414.418 4.292 20 5 HIBDRN CC(C)[C@@H]1C[C@@H](CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccc21 ZINC000448029117 871867480 /nfs/dbraw/zinc/86/74/80/871867480.db2.gz FSXBBGPMLDKFDR-JXFKEZNVSA-N 0 0 411.506 4.065 20 5 HIBDRN O=C(N[C@H](CC(F)(F)F)c1ccccc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468534157 882562262 /nfs/dbraw/zinc/56/22/62/882562262.db2.gz BQVYXWRTNJBFSJ-QGZVFWFLSA-N 0 0 409.364 4.061 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cc(F)cc(C(F)(F)F)c1 ZINC000448113974 871966157 /nfs/dbraw/zinc/96/61/57/871966157.db2.gz OTOAPZZAWIFCCI-WZUFQYTHSA-N 0 0 405.307 4.407 20 5 HIBDRN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448138687 872013423 /nfs/dbraw/zinc/01/34/23/872013423.db2.gz VNYPULPYDDOIDH-LBPRGKRZSA-N 0 0 419.363 4.028 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n(-c2ccccc2)n1 ZINC000448190455 872071966 /nfs/dbraw/zinc/07/19/66/872071966.db2.gz MGYFMOZEJZRXEQ-CQSZACIVSA-N 0 0 412.877 4.032 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(CCC(F)(F)F)CC(F)(F)F ZINC000468544602 882584595 /nfs/dbraw/zinc/58/45/95/882584595.db2.gz SXZGBOKIGFHVKL-UHFFFAOYSA-N 0 0 422.709 4.360 20 5 HIBDRN C[C@H](CO)CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000448269313 872192733 /nfs/dbraw/zinc/19/27/33/872192733.db2.gz IHZZQCGGGONUDX-NSHDSACASA-N 0 0 414.405 4.123 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000448288940 872218046 /nfs/dbraw/zinc/21/80/46/872218046.db2.gz FXRSOKVNCWOOIY-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN Cc1ccc2cc(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])ccc2n1 ZINC000448402657 872351413 /nfs/dbraw/zinc/35/14/13/872351413.db2.gz DBUMRUUBJQGSSA-FQEVSTJZSA-N 0 0 421.453 4.264 20 5 HIBDRN CC(C)[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000448405175 872355748 /nfs/dbraw/zinc/35/57/48/872355748.db2.gz GKZZFTVOCNTISN-CRAIPNDOSA-N 0 0 401.850 4.188 20 5 HIBDRN CSc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000448442081 872383830 /nfs/dbraw/zinc/38/38/30/872383830.db2.gz CPZAQOCNRKDBDN-MRXNPFEDSA-N 0 0 402.447 4.333 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000448449520 872394915 /nfs/dbraw/zinc/39/49/15/872394915.db2.gz QZJRLYNZXLQRTB-UHFFFAOYSA-N 0 0 401.325 4.078 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2-c2nc(C)no2)c1[N+](=O)[O-] ZINC000448456527 872407944 /nfs/dbraw/zinc/40/79/44/872407944.db2.gz KDTRCUTWKHTBHK-UHFFFAOYSA-N 0 0 422.319 4.233 20 5 HIBDRN O=C(Nc1cc(-c2ccccc2F)on1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000448493037 872478809 /nfs/dbraw/zinc/47/88/09/872478809.db2.gz RRMTXCRMPKUPBI-UHFFFAOYSA-N 0 0 410.386 4.765 20 5 HIBDRN Nc1c(C(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cccc1[N+](=O)[O-] ZINC000468563440 882619103 /nfs/dbraw/zinc/61/91/03/882619103.db2.gz FLWWJZXRXGCHJO-CQSZACIVSA-N 0 0 412.446 4.247 20 5 HIBDRN CCC[C@H](C)N(C(=O)c1cc([N+](=O)[O-])cnc1C)c1nc(C)c(C(=O)OCC)s1 ZINC000460109201 872575277 /nfs/dbraw/zinc/57/52/77/872575277.db2.gz GHJCMJTUCAZJBZ-NSHDSACASA-N 0 0 420.491 4.075 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2ccco2)nn1-c1ccc(F)cc1F ZINC000460139354 872636245 /nfs/dbraw/zinc/63/62/45/872636245.db2.gz OLYKBPLFOJRMLE-UHFFFAOYSA-N 0 0 424.363 4.500 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1-c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)no1 ZINC000460148866 872667697 /nfs/dbraw/zinc/66/76/97/872667697.db2.gz MYWFBNAWKFZKLP-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN O=[N+]([O-])c1ccc(-n2cc(-c3nc(CCn4ccc5ccccc54)no3)cn2)cc1 ZINC000460154003 872682732 /nfs/dbraw/zinc/68/27/32/872682732.db2.gz ZWIGVWAIDOGMRG-UHFFFAOYSA-N 0 0 400.398 4.028 20 5 HIBDRN Cc1csc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1I ZINC000468576070 882647130 /nfs/dbraw/zinc/64/71/30/882647130.db2.gz LQQFWRZDBRPVBO-UHFFFAOYSA-N 0 0 402.213 4.130 20 5 HIBDRN CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000460198857 872775083 /nfs/dbraw/zinc/77/50/83/872775083.db2.gz ZSXMIDATDPSBBU-FQEVSTJZSA-N 0 0 405.458 4.051 20 5 HIBDRN COC(C)(C)C[C@@H](C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000460271604 872860818 /nfs/dbraw/zinc/86/08/18/872860818.db2.gz ZTKKKDOPUQFYLA-HUUCEWRRSA-N 0 0 400.479 4.096 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000460275452 872864679 /nfs/dbraw/zinc/86/46/79/872864679.db2.gz GJWCGODFMGCHRM-UHFFFAOYSA-N 0 0 404.426 4.158 20 5 HIBDRN O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000460275209 872864894 /nfs/dbraw/zinc/86/48/94/872864894.db2.gz FKGGPMMHKDJIIH-UHFFFAOYSA-N 0 0 402.366 4.241 20 5 HIBDRN CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460279323 872868856 /nfs/dbraw/zinc/86/88/56/872868856.db2.gz GXNVQRXDHPVWIV-LEWJYISDSA-N 0 0 419.485 4.014 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000460300666 872891418 /nfs/dbraw/zinc/89/14/18/872891418.db2.gz AGMYMBTZVQFUHG-AWEZNQCLSA-N 0 0 407.474 4.050 20 5 HIBDRN CCn1c(-c2ccc(OC)c(OC)c2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000460314165 872899366 /nfs/dbraw/zinc/89/93/66/872899366.db2.gz RWWQTJPTHTWNII-UHFFFAOYSA-N 0 0 423.473 4.059 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCCN(C)c3ccc(Cl)cc32)cc1SC ZINC000460317092 872904219 /nfs/dbraw/zinc/90/42/19/872904219.db2.gz FIGRPKRFMYBZHE-UHFFFAOYSA-N 0 0 421.906 4.465 20 5 HIBDRN CO[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000460317967 872907493 /nfs/dbraw/zinc/90/74/93/872907493.db2.gz PYFSASPEUMKANN-JOCHJYFZSA-N 0 0 420.896 4.312 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)ccc1[N+](=O)[O-] ZINC000460332836 872938988 /nfs/dbraw/zinc/93/89/88/872938988.db2.gz OWTWIYMQMGOPNA-UHFFFAOYSA-N 0 0 419.368 4.095 20 5 HIBDRN O=C(Cc1ccccc1Br)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460348158 872965529 /nfs/dbraw/zinc/96/55/29/872965529.db2.gz OOIVCYVSRVUHIP-QGZVFWFLSA-N 0 0 407.289 4.174 20 5 HIBDRN COc1ccc(-n2c(NC(=O)c3ccc([N+](=O)[O-])cc3F)nc3ccccc32)cc1 ZINC000460391910 873038818 /nfs/dbraw/zinc/03/88/18/873038818.db2.gz WATGVGLANPENAE-UHFFFAOYSA-N 0 0 406.373 4.334 20 5 HIBDRN COc1ccc(-n2c3ccccc3nc2NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000460401512 873052142 /nfs/dbraw/zinc/05/21/42/873052142.db2.gz OLBPFRHOSCWRKV-UHFFFAOYSA-N 0 0 402.410 4.124 20 5 HIBDRN C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Oc1cccc(Cl)c1 ZINC000460411703 873065706 /nfs/dbraw/zinc/06/57/06/873065706.db2.gz MFINMXORJBLKSD-OAHLLOKOSA-N 0 0 417.893 4.048 20 5 HIBDRN O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000460412986 873067446 /nfs/dbraw/zinc/06/74/46/873067446.db2.gz PUEIYOBAGICQBX-UHFFFAOYSA-N 0 0 410.405 4.493 20 5 HIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[C@H]2CCC[C@H]21 ZINC000460416955 873073286 /nfs/dbraw/zinc/07/32/86/873073286.db2.gz USLGBNNRDTWYNG-BDJLRTHQSA-N 0 0 409.273 4.492 20 5 HIBDRN C[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000460437064 873105025 /nfs/dbraw/zinc/10/50/25/873105025.db2.gz NJMFKANNTDFEKZ-LBPRGKRZSA-N 0 0 413.257 4.254 20 5 HIBDRN C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000460445843 873116009 /nfs/dbraw/zinc/11/60/09/873116009.db2.gz UPGSBVAKMXSRLZ-RYUDHWBXSA-N 0 0 413.257 4.253 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Oc1ccccc1Cl ZINC000460453246 873129381 /nfs/dbraw/zinc/12/93/81/873129381.db2.gz IFZNXMXNHGAWKP-JTQLQIEISA-N 0 0 413.655 4.208 20 5 HIBDRN COc1cccc(F)c1[C@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000460461880 873143984 /nfs/dbraw/zinc/14/39/84/873143984.db2.gz MXVRFTMQMAFWHX-NSHDSACASA-N 0 0 401.419 4.357 20 5 HIBDRN C[C@@H](CCc1cccn1C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000460467115 873150204 /nfs/dbraw/zinc/15/02/04/873150204.db2.gz FLRQJYQXUGOIQB-KRWDZBQOSA-N 0 0 406.486 4.297 20 5 HIBDRN 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CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000460558666 873280827 /nfs/dbraw/zinc/28/08/27/873280827.db2.gz XSGAVVURPCFHCA-LJQANCHMSA-N 0 0 403.429 4.091 20 5 HIBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000460569952 873303662 /nfs/dbraw/zinc/30/36/62/873303662.db2.gz CGVLDJHSNQSTLV-LJQANCHMSA-N 0 0 423.847 4.436 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000460585535 873323206 /nfs/dbraw/zinc/32/32/06/873323206.db2.gz VFOACCJDIFGYBB-IBGZPJMESA-N 0 0 423.847 4.436 20 5 HIBDRN Cc1cccnc1-c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1CC(C)C ZINC000460624439 873366544 /nfs/dbraw/zinc/36/65/44/873366544.db2.gz CDUYNDNPTDSLKH-UHFFFAOYSA-N 0 0 406.490 4.382 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC2(C1)CCCCC2 ZINC000460654490 873395802 /nfs/dbraw/zinc/39/58/02/873395802.db2.gz LAWJHHIEADLRIK-SFHVURJKSA-N 0 0 421.925 4.185 20 5 HIBDRN 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/nfs/dbraw/zinc/80/54/70/874805470.db2.gz BFEAXYUPKVLUQI-QFBILLFUSA-N 0 0 411.506 4.191 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3C3CCC3)n2C[C@@H]2CCCCO2)c1 ZINC000461654965 874809459 /nfs/dbraw/zinc/80/94/59/874809459.db2.gz CSHZUUCJRJMNQG-PMACEKPBSA-N 0 0 411.506 4.191 20 5 HIBDRN CC(C)C[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 ZINC000461655011 874809478 /nfs/dbraw/zinc/80/94/78/874809478.db2.gz CZJZQOFETDDISI-AZUAARDMSA-N 0 0 413.522 4.437 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)[C@@H]1c1ccccc1 ZINC000461683645 874834757 /nfs/dbraw/zinc/83/47/57/874834757.db2.gz ARABLMMMJJUDAJ-LZJOCLMNSA-N 0 0 419.485 4.087 20 5 HIBDRN COc1ccc(Cl)cc1NCCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000461706686 874855939 /nfs/dbraw/zinc/85/59/39/874855939.db2.gz URDZGGXRPDYZLM-IBGZPJMESA-N 0 0 421.906 4.333 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCO1 ZINC000461715845 874864683 /nfs/dbraw/zinc/86/46/83/874864683.db2.gz BYELQNGMLJDKPR-IBGZPJMESA-N 0 0 415.538 4.023 20 5 HIBDRN COC[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccc(Cl)c1 ZINC000461731701 874878632 /nfs/dbraw/zinc/87/86/32/874878632.db2.gz PZSSNJYLWSDNAM-LJQANCHMSA-N 0 0 403.866 4.310 20 5 HIBDRN Cc1cc(NC2CCN(C(=O)c3ccncc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461790668 874907711 /nfs/dbraw/zinc/90/77/11/874907711.db2.gz ZCOMNGZBCRDMNV-UHFFFAOYSA-N 0 0 408.380 4.034 20 5 HIBDRN CSCC[C@@H](C)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCCO1 ZINC000461805180 874917749 /nfs/dbraw/zinc/91/77/49/874917749.db2.gz ANAFWSGWTQDHHN-CRAIPNDOSA-N 0 0 419.551 4.000 20 5 HIBDRN C[C@H](c1ccco1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 ZINC000461814278 874933094 /nfs/dbraw/zinc/93/30/94/874933094.db2.gz MPGSBDOEIFOQBG-CRAIPNDOSA-N 0 0 411.462 4.213 20 5 HIBDRN CC(C)Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1CCCCO1 ZINC000461820123 874943125 /nfs/dbraw/zinc/94/31/25/874943125.db2.gz FIYGVYIRSFOQRN-FQEVSTJZSA-N 0 0 413.522 4.123 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(c2nnc(C3CCC3)n2C[C@H]2CCCCO2)C2CC2)c1 ZINC000461834080 874967984 /nfs/dbraw/zinc/96/79/84/874967984.db2.gz PMFJFAQSXBHJBQ-HXUWFJFHSA-N 0 0 411.506 4.192 20 5 HIBDRN Cc1cc(NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)c(F)cc1[N+](=O)[O-] ZINC000461885992 875037112 /nfs/dbraw/zinc/03/71/12/875037112.db2.gz PMQQWZJIUVULFV-UHFFFAOYSA-N 0 0 412.421 4.023 20 5 HIBDRN Cc1cc(NCc2nc(COc3ccccc3)n[nH]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461940896 875074700 /nfs/dbraw/zinc/07/47/00/875074700.db2.gz LRWRBQRKLKTQLH-UHFFFAOYSA-N 0 0 407.352 4.231 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000468855824 882892263 /nfs/dbraw/zinc/89/22/63/882892263.db2.gz GLHYAWQUEIFHOS-AWEZNQCLSA-N 0 0 410.499 4.319 20 5 HIBDRN COc1ccc(CN2CC[C@H](Nc3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)C2=O)cc1 ZINC000461947862 875079844 /nfs/dbraw/zinc/07/98/44/875079844.db2.gz LNCXHIOKNCTVLJ-INIZCTEOSA-N 0 0 423.391 4.144 20 5 HIBDRN Cc1cc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461952565 875082488 /nfs/dbraw/zinc/08/24/88/875082488.db2.gz BYNATSIBLPSKSG-ZDUSSCGKSA-N 0 0 401.429 4.301 20 5 HIBDRN Cc1cc(NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461966702 875090261 /nfs/dbraw/zinc/09/02/61/875090261.db2.gz QKYCMTKSQXPZGZ-OAHLLOKOSA-N 0 0 407.392 4.383 20 5 HIBDRN CC[C@]1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)OCCc2ccccc21 ZINC000462163978 875258329 /nfs/dbraw/zinc/25/83/29/875258329.db2.gz YNODWTYQVBDTLM-HSZRJFAPSA-N 0 0 409.486 4.147 20 5 HIBDRN CCCN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[C@H](CC)c1ccccc1 ZINC000468875993 882912361 /nfs/dbraw/zinc/91/23/61/882912361.db2.gz HNAAVYOUMVWGET-GOSISDBHSA-N 0 0 423.469 4.252 20 5 HIBDRN C[C@@H](CC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000462175308 875274862 /nfs/dbraw/zinc/27/48/62/875274862.db2.gz KPQRQIWMXDXVQC-LBPRGKRZSA-N 0 0 409.255 4.349 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000462203878 875311738 /nfs/dbraw/zinc/31/17/38/875311738.db2.gz NUUPMUDCCSHOQR-UHFFFAOYSA-N 0 0 411.380 4.286 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000462278440 875404757 /nfs/dbraw/zinc/40/47/57/875404757.db2.gz IQOILWBDVBYMMG-YPMHNXCESA-N 0 0 414.833 4.298 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462370151 875482534 /nfs/dbraw/zinc/48/25/34/875482534.db2.gz ARLIWGKTDYZFEA-KOMQPUFPSA-N 0 0 419.275 4.189 20 5 HIBDRN COc1cccc(OC)c1OC1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000462377882 875489089 /nfs/dbraw/zinc/48/90/89/875489089.db2.gz CALPYLOLGPSAJK-UHFFFAOYSA-N 0 0 424.400 4.261 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462418349 875525493 /nfs/dbraw/zinc/52/54/93/875525493.db2.gz HCFKVWYJRDYICS-CQSZACIVSA-N 0 0 417.393 4.250 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)Cc1ccc(OC)c(OC)c1 ZINC000462422960 875529484 /nfs/dbraw/zinc/52/94/84/875529484.db2.gz VVRYJRMAXAARFE-SFHVURJKSA-N 0 0 400.475 4.229 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000462431805 875536843 /nfs/dbraw/zinc/53/68/43/875536843.db2.gz ZGPMWVGMWUJWJD-CZAAIQMYSA-N 0 0 400.450 4.339 20 5 HIBDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000462434088 875540549 /nfs/dbraw/zinc/54/05/49/875540549.db2.gz ZSSAGTBWQBLSJN-APWZRJJASA-N 0 0 411.502 4.008 20 5 HIBDRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000462434090 875541036 /nfs/dbraw/zinc/54/10/36/875541036.db2.gz ZSSAGTBWQBLSJN-LPHOPBHVSA-N 0 0 411.502 4.008 20 5 HIBDRN Cc1ccc2c(c1)CCCN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462451082 875558726 /nfs/dbraw/zinc/55/87/26/875558726.db2.gz HBMMDZZQXZTRES-UHFFFAOYSA-N 0 0 401.271 4.352 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1noc(-c2ccccc2)n1 ZINC000462479570 875588936 /nfs/dbraw/zinc/58/89/36/875588936.db2.gz HQJZHPXKBFNMKX-OAHLLOKOSA-N 0 0 417.425 4.792 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000462482386 875590498 /nfs/dbraw/zinc/59/04/98/875590498.db2.gz WVDUCLVTNNRQRV-AOMKIAJQSA-N 0 0 410.470 4.202 20 5 HIBDRN C[C@@H]1c2ccsc2CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462483586 875594210 /nfs/dbraw/zinc/59/42/10/875594210.db2.gz MHBCFAFZZSLBJE-MRVPVSSYSA-N 0 0 407.300 4.271 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000462488178 875598237 /nfs/dbraw/zinc/59/82/37/875598237.db2.gz BDOKLMUFNXFWPO-UHFFFAOYSA-N 0 0 411.483 4.176 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCCOC)c(Cl)c1 ZINC000462488188 875598583 /nfs/dbraw/zinc/59/85/83/875598583.db2.gz VGKGDROOCHFQBO-OAHLLOKOSA-N 0 0 406.866 4.481 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)nn(C)c1Oc1cccnc1 ZINC000462494452 875606219 /nfs/dbraw/zinc/60/62/19/875606219.db2.gz MENUAGXKPXZJQF-INIZCTEOSA-N 0 0 409.446 4.031 20 5 HIBDRN COc1ccc(S(=O)(=O)N([C@H](C)c2ccccc2Cl)C2CC2)c([N+](=O)[O-])c1 ZINC000462533770 875650993 /nfs/dbraw/zinc/65/09/93/875650993.db2.gz JQCXIYPHADNIDP-GFCCVEGCSA-N 0 0 410.879 4.171 20 5 HIBDRN COc1cc(C)c(Br)cc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000462585144 875703379 /nfs/dbraw/zinc/70/33/79/875703379.db2.gz RYHRRAXKHOGJOK-UHFFFAOYSA-N 0 0 411.277 4.405 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2cccc(OC)c2)nn1C ZINC000462606806 875720767 /nfs/dbraw/zinc/72/07/67/875720767.db2.gz YRKDEFBUTGNNSJ-MRXNPFEDSA-N 0 0 408.458 4.211 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000462610617 875723239 /nfs/dbraw/zinc/72/32/39/875723239.db2.gz CWGJRONSERPAMF-CYBMUJFWSA-N 0 0 412.273 4.061 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000462610618 875723709 /nfs/dbraw/zinc/72/37/09/875723709.db2.gz CWGJRONSERPAMF-ZDUSSCGKSA-N 0 0 412.273 4.061 20 5 HIBDRN CCc1cc(NC(=O)c2cc(OC)c(OC)cc2Cl)c2cc([N+](=O)[O-])ccc2n1 ZINC000462637194 875747811 /nfs/dbraw/zinc/74/78/11/875747811.db2.gz JGCLVAZCXULYNR-UHFFFAOYSA-N 0 0 415.833 4.050 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000462638393 875749158 /nfs/dbraw/zinc/74/91/58/875749158.db2.gz HPJORXYYKOGYLT-IBGZPJMESA-N 0 0 405.454 4.012 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000462639535 875749541 /nfs/dbraw/zinc/74/95/41/875749541.db2.gz LCYBDLSFTUAULT-SJLPKXTDSA-N 0 0 402.878 4.497 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(C(F)F)cc2)c(C(F)(F)F)c1 ZINC000462681471 875776698 /nfs/dbraw/zinc/77/66/98/875776698.db2.gz JYDQNUJGQACOQK-UHFFFAOYSA-N 0 0 410.320 4.030 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)[C@@H]2CCOC2)nc1OCc1ccccc1 ZINC000462697730 875786144 /nfs/dbraw/zinc/78/61/44/875786144.db2.gz DGJVWSIRTOEIKX-DENIHFKCSA-N 0 0 405.454 4.759 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000462763358 875825575 /nfs/dbraw/zinc/82/55/75/875825575.db2.gz LZMRMIPPJKLXRF-QGZVFWFLSA-N 0 0 422.460 4.073 20 5 HIBDRN COc1cc(NC[C@H]2CCN(c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000462779777 875836145 /nfs/dbraw/zinc/83/61/45/875836145.db2.gz TXWSKQCORZPTRH-CYBMUJFWSA-N 0 0 406.280 4.304 20 5 HIBDRN C[C@@H]1C[C@H](c2ccccc2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000462788177 875840336 /nfs/dbraw/zinc/84/03/36/875840336.db2.gz FICJDYOPDCKARG-NVXWUHKLSA-N 0 0 411.483 4.100 20 5 HIBDRN COc1ccc(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C2)cc1 ZINC000462892834 875917293 /nfs/dbraw/zinc/91/72/93/875917293.db2.gz XQUCAKPYOIAVAY-IBGZPJMESA-N 0 0 423.513 4.299 20 5 HIBDRN C[C@@H]1CN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC[C@H]1c1ccccc1 ZINC000462892930 875917553 /nfs/dbraw/zinc/91/75/53/875917553.db2.gz DLZBTCNSIHQGBT-DNVCBOLYSA-N 0 0 424.888 4.424 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H](C)CC(C)(C)OC)c([N+](=O)[O-])c1 ZINC000462896401 875922333 /nfs/dbraw/zinc/92/23/33/875922333.db2.gz NTPJNHOHZHPGPM-AWEZNQCLSA-N 0 0 414.458 4.228 20 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CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000462942172 875965639 /nfs/dbraw/zinc/96/56/39/875965639.db2.gz FOHCEKGVONBHEQ-AWEZNQCLSA-N 0 0 424.423 4.160 20 5 HIBDRN CCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)[C@@H]1CCOC1 ZINC000462976745 875988453 /nfs/dbraw/zinc/98/84/53/875988453.db2.gz JWDNATYUPUGMMK-OAHLLOKOSA-N 0 0 420.849 4.300 20 5 HIBDRN CNc1c(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cccc1[N+](=O)[O-] ZINC000462991858 876007015 /nfs/dbraw/zinc/00/70/15/876007015.db2.gz MHMFCNOYNOZHAN-UHFFFAOYSA-N 0 0 422.416 4.209 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000462992742 876007474 /nfs/dbraw/zinc/00/74/74/876007474.db2.gz FYSDKYNIFGYYHW-LUQKVYGDSA-N 0 0 400.450 4.291 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000462996351 876010717 /nfs/dbraw/zinc/01/07/17/876010717.db2.gz RZYGFMXMWCMEOJ-YWZLYKJASA-N 0 0 404.413 4.042 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000463002554 876016552 /nfs/dbraw/zinc/01/65/52/876016552.db2.gz OISWNTGFCNBLGY-GOSISDBHSA-N 0 0 406.388 4.213 20 5 HIBDRN CCCn1c2nnc(S[C@@H](C)c3ccccc3[N+](=O)[O-])n2c2ccccc2c1=O ZINC000463032406 876052321 /nfs/dbraw/zinc/05/23/21/876052321.db2.gz IOUHMHZWLYXWKQ-ZDUSSCGKSA-N 0 0 409.471 4.216 20 5 HIBDRN COCCCCc1cccnc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000463039180 876061800 /nfs/dbraw/zinc/06/18/00/876061800.db2.gz YNTSZKDQKDAENU-UHFFFAOYSA-N 0 0 412.471 4.335 20 5 HIBDRN COc1cc(C)c(Br)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000463047516 876076005 /nfs/dbraw/zinc/07/60/05/876076005.db2.gz HJXMTHYZQPLEIA-UHFFFAOYSA-N 0 0 404.220 4.408 20 5 HIBDRN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000463053724 876081725 /nfs/dbraw/zinc/08/17/25/876081725.db2.gz OFUKUFBVKMAUEM-UWJYYQICSA-N 0 0 406.442 4.114 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000463095407 876129898 /nfs/dbraw/zinc/12/98/98/876129898.db2.gz QRKFIJOTDZNZBY-DOTOQJQBSA-N 0 0 406.891 4.377 20 5 HIBDRN CNc1c(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)cccc1[N+](=O)[O-] ZINC000463118008 876160436 /nfs/dbraw/zinc/16/04/36/876160436.db2.gz JEAWBGDOLQPQKS-UHFFFAOYSA-N 0 0 404.329 4.145 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000463133215 876180545 /nfs/dbraw/zinc/18/05/45/876180545.db2.gz FGNXZLBDAQRSSH-UHFFFAOYSA-N 0 0 401.426 4.127 20 5 HIBDRN COc1ccc(NC(=O)c2cc(Br)cc3cccnc32)c([N+](=O)[O-])c1 ZINC000463133601 876182108 /nfs/dbraw/zinc/18/21/08/876182108.db2.gz FLPROLZEBFMAJX-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN COc1ccccc1[C@@H](C)SCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000463192569 876250767 /nfs/dbraw/zinc/25/07/67/876250767.db2.gz MBMMUFWYTCLENE-CYBMUJFWSA-N 0 0 418.471 4.198 20 5 HIBDRN Cc1nnc(COc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000463201561 876262022 /nfs/dbraw/zinc/26/20/22/876262022.db2.gz LYMBSPRZOQIQKT-UHFFFAOYSA-N 0 0 423.212 4.424 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CSc3nnc(CCc4ccccc4)o3)n2)cc1 ZINC000463210371 876270426 /nfs/dbraw/zinc/27/04/26/876270426.db2.gz BDAJTSAHVDYURJ-UHFFFAOYSA-N 0 0 409.427 4.105 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000463227590 876284968 /nfs/dbraw/zinc/28/49/68/876284968.db2.gz HIOGBPBCQHAKLA-CQSZACIVSA-N 0 0 411.487 4.071 20 5 HIBDRN C[C@@H](Sc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000463256710 876314048 /nfs/dbraw/zinc/31/40/48/876314048.db2.gz KKEJPPOOWNSCKF-HZPDHXFCSA-N 0 0 417.535 4.209 20 5 HIBDRN C[C@H](Sc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000463256709 876314178 /nfs/dbraw/zinc/31/41/78/876314178.db2.gz KKEJPPOOWNSCKF-HOTGVXAUSA-N 0 0 417.535 4.209 20 5 HIBDRN COc1cc(CSc2nnc(-c3ccccc3Cl)n2C)c([N+](=O)[O-])cc1F ZINC000463419026 876474110 /nfs/dbraw/zinc/47/41/10/876474110.db2.gz SPXZLJYCJQFSET-UHFFFAOYSA-N 0 0 408.842 4.484 20 5 HIBDRN COc1cc(COc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)c([N+](=O)[O-])cc1F ZINC000463439073 876497001 /nfs/dbraw/zinc/49/70/01/876497001.db2.gz YRCDIUCAAWRHLL-QGZVFWFLSA-N 0 0 415.377 4.223 20 5 HIBDRN CC[C@@H](NC(=O)NC[C@H]1CCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000463513761 876578874 /nfs/dbraw/zinc/57/88/74/876578874.db2.gz JMGRMHCQZUKOPC-DNVCBOLYSA-N 0 0 400.454 4.011 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(Br)c1 ZINC000463528575 876603328 /nfs/dbraw/zinc/60/33/28/876603328.db2.gz QEYPECCIHCIVTP-UHFFFAOYSA-N 0 0 422.260 4.015 20 5 HIBDRN O=C(NCc1sccc1Br)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463564068 876653627 /nfs/dbraw/zinc/65/36/27/876653627.db2.gz BORXBBTXQBETIJ-UHFFFAOYSA-N 0 0 409.183 4.368 20 5 HIBDRN O=C(COc1c(F)cccc1[N+](=O)[O-])N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000463569490 876663099 /nfs/dbraw/zinc/66/30/99/876663099.db2.gz MWESMHVDKMGZIC-FQEVSTJZSA-N 0 0 412.442 4.349 20 5 HIBDRN O=C(COc1c(F)cccc1[N+](=O)[O-])NCCC(c1ccccc1)c1ccccc1 ZINC000463574064 876669558 /nfs/dbraw/zinc/66/95/58/876669558.db2.gz MDXYGYONSCNNTL-UHFFFAOYSA-N 0 0 408.429 4.451 20 5 HIBDRN CC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000463594989 876706759 /nfs/dbraw/zinc/70/67/59/876706759.db2.gz YXMHWPQFBXWUKW-UHFFFAOYSA-N 0 0 424.375 4.092 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(Cl)c2)c2ncccc12 ZINC000463671832 876794754 /nfs/dbraw/zinc/79/47/54/876794754.db2.gz GXJNJBBCJZEMSL-INIZCTEOSA-N 0 0 417.874 4.322 20 5 HIBDRN CC(C)(C)C1CCC(O)(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000463676395 876798561 /nfs/dbraw/zinc/79/85/61/876798561.db2.gz CFZGOTDJVKUGNF-UHFFFAOYSA-N 0 0 402.413 4.311 20 5 HIBDRN CN(CC(=O)Nc1cccc(CSC2CCOCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000463704261 876823108 /nfs/dbraw/zinc/82/31/08/876823108.db2.gz CLMRLLHXTRZMEO-UHFFFAOYSA-N 0 0 415.515 4.082 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Cn1cncn1 ZINC000463732475 876853108 /nfs/dbraw/zinc/85/31/08/876853108.db2.gz XPYFBOOCOCFUDY-UHFFFAOYSA-N 0 0 415.409 4.279 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C(=O)NC(C)C ZINC000463748729 876871399 /nfs/dbraw/zinc/87/13/99/876871399.db2.gz YQXRZIWCQGZZPD-UHFFFAOYSA-N 0 0 409.364 4.313 20 5 HIBDRN C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000463874791 876996295 /nfs/dbraw/zinc/99/62/95/876996295.db2.gz DQXUQBPTIKMSFD-KRWDZBQOSA-N 0 0 403.438 4.323 20 5 HIBDRN C[C@@H](O)C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000469018697 883086500 /nfs/dbraw/zinc/08/65/00/883086500.db2.gz OTCUVJMNLYHDJC-RHSMWYFYSA-N 0 0 411.483 4.003 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000469021678 883089243 /nfs/dbraw/zinc/08/92/43/883089243.db2.gz OJVSCSZKTLRGGP-FQEVSTJZSA-N 0 0 421.501 4.153 20 5 HIBDRN COc1ccc(C[C@H](C)CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1OC ZINC000463953961 877075779 /nfs/dbraw/zinc/07/57/79/877075779.db2.gz WTAYZSSROKWZLE-ZDUSSCGKSA-N 0 0 401.463 4.229 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000463954962 877076541 /nfs/dbraw/zinc/07/65/41/877076541.db2.gz LVLWGEMZDHGDBY-UHFFFAOYSA-N 0 0 419.441 4.181 20 5 HIBDRN COC(C)(C)c1nc(C)c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000463958689 877082179 /nfs/dbraw/zinc/08/21/79/877082179.db2.gz NETYPBLEFWPVSI-INIZCTEOSA-N 0 0 407.517 4.129 20 5 HIBDRN COCCOc1ccc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1OC ZINC000463958815 877082790 /nfs/dbraw/zinc/08/27/90/877082790.db2.gz NKCMNDPSMPXOSE-OAHLLOKOSA-N 0 0 417.462 4.128 20 5 HIBDRN COc1ccccc1-c1noc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000463958866 877083032 /nfs/dbraw/zinc/08/30/32/877083032.db2.gz NZRNLNABTGVZMP-ZDUSSCGKSA-N 0 0 411.418 4.153 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000463959081 877083110 /nfs/dbraw/zinc/08/31/10/877083110.db2.gz PWTQHZZQITYMPC-UHFFFAOYSA-N 0 0 401.810 4.237 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000463960252 877084322 /nfs/dbraw/zinc/08/43/22/877084322.db2.gz VQGHAYNKESQZNU-UHFFFAOYSA-N 0 0 414.437 4.233 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000463961494 877086041 /nfs/dbraw/zinc/08/60/41/877086041.db2.gz PHPDRNVGOSEWLQ-UHFFFAOYSA-N 0 0 405.838 4.348 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000464013643 877148684 /nfs/dbraw/zinc/14/86/84/877148684.db2.gz QUYLBMKAQKCFCO-OAQYLSRUSA-N 0 0 421.428 4.195 20 5 HIBDRN CCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000464014240 877149992 /nfs/dbraw/zinc/14/99/92/877149992.db2.gz JQRGWUZYOCVWSI-UHFFFAOYSA-N 0 0 409.442 4.117 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000464019895 877154119 /nfs/dbraw/zinc/15/41/19/877154119.db2.gz LIAGEIKSMCHAJY-LLVKDONJSA-N 0 0 424.284 4.204 20 5 HIBDRN CO[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000464025221 877160950 /nfs/dbraw/zinc/16/09/50/877160950.db2.gz VSIOFWVMYYJBLV-HNNXBMFYSA-N 0 0 402.756 4.385 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1ccccc1Cl)C(C)C ZINC000464044048 877184054 /nfs/dbraw/zinc/18/40/54/877184054.db2.gz XKZWWLKDAKPYNN-QGZVFWFLSA-N 0 0 403.866 4.317 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)cc([N+](=O)[O-])c1 ZINC000464044909 877184261 /nfs/dbraw/zinc/18/42/61/877184261.db2.gz RTXFLJKJSYTRRA-RTWAWAEBSA-N 0 0 410.470 4.488 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000464056482 877200522 /nfs/dbraw/zinc/20/05/22/877200522.db2.gz ZXISVYXHJSHPKG-UHFFFAOYSA-N 0 0 417.893 4.189 20 5 HIBDRN Cc1n[nH]c(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1[N+](=O)[O-] ZINC000464077383 877226908 /nfs/dbraw/zinc/22/69/08/877226908.db2.gz QMEFERQVZNTTSX-HNNXBMFYSA-N 0 0 409.446 4.382 20 5 HIBDRN CSc1cccc([C@@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 ZINC000464119491 877273648 /nfs/dbraw/zinc/27/36/48/877273648.db2.gz DHAINBNBOUIGAU-MRXNPFEDSA-N 0 0 418.425 4.146 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000464142662 877309201 /nfs/dbraw/zinc/30/92/01/877309201.db2.gz SMVBGDKGPSSIEZ-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN O=C(NCc1cccc(-c2cccnc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000464153844 877322841 /nfs/dbraw/zinc/32/28/41/877322841.db2.gz QTZFCLMNRUVRSN-UHFFFAOYSA-N 0 0 402.454 4.187 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000464184875 877355667 /nfs/dbraw/zinc/35/56/67/877355667.db2.gz VFHMJKGRUYYGBO-ZDUSSCGKSA-N 0 0 419.275 4.216 20 5 HIBDRN C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@@H]1c1cccc(F)c1 ZINC000464202604 877372441 /nfs/dbraw/zinc/37/24/41/877372441.db2.gz CNSSPRHOWIBOLO-RBZFPXEDSA-N 0 0 415.446 4.054 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)cc1[N+](=O)[O-] ZINC000464235652 877411745 /nfs/dbraw/zinc/41/17/45/877411745.db2.gz XOQWRXHSGHGBRC-LLVKDONJSA-N 0 0 415.243 4.386 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464272837 877457841 /nfs/dbraw/zinc/45/78/41/877457841.db2.gz DOROPUZSPUJTOI-WCQYABFASA-N 0 0 408.886 4.153 20 5 HIBDRN CCOc1cc(C(=O)N2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000464326918 877516588 /nfs/dbraw/zinc/51/65/88/877516588.db2.gz YADXDONNHHOEHI-HNNXBMFYSA-N 0 0 416.499 4.257 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464350249 877542488 /nfs/dbraw/zinc/54/24/88/877542488.db2.gz FXTIUWRKMZGJNS-IAGOWNOFSA-N 0 0 420.387 4.186 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000464413560 877620158 /nfs/dbraw/zinc/62/01/58/877620158.db2.gz ZEUCVUIZMTVJER-KDOFPFPSSA-N 0 0 413.522 4.063 20 5 HIBDRN COc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000464447059 877662081 /nfs/dbraw/zinc/66/20/81/877662081.db2.gz LAKXMIULASTTIV-UHFFFAOYSA-N 0 0 410.430 4.043 20 5 HIBDRN COc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)NC(=O)CC2 ZINC000464459070 877680002 /nfs/dbraw/zinc/68/00/02/877680002.db2.gz QXIIRPNRBPGRLY-UHFFFAOYSA-N 0 0 415.471 4.241 20 5 HIBDRN Cc1oc2ccccc2c1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000464467350 877689465 /nfs/dbraw/zinc/68/94/65/877689465.db2.gz YSPYAATVDFWKCN-UHFFFAOYSA-N 0 0 403.232 4.384 20 5 HIBDRN CC1(C)CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000464500578 877723548 /nfs/dbraw/zinc/72/35/48/877723548.db2.gz AEGGCSHMYQNWHU-UHFFFAOYSA-N 0 0 401.850 4.373 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)[C@@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000464548518 877763758 /nfs/dbraw/zinc/76/37/58/877763758.db2.gz KUOZJOZDFLDGGF-YCRPNKLZSA-N 0 0 404.470 4.290 20 5 HIBDRN CO[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(Cl)c1 ZINC000464594617 877821377 /nfs/dbraw/zinc/82/13/77/877821377.db2.gz QYXSUICOKUWMMY-QFIPXVFZSA-N 0 0 420.896 4.312 20 5 HIBDRN CO[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(Cl)c1 ZINC000464597272 877824285 /nfs/dbraw/zinc/82/42/85/877824285.db2.gz HCTJIOGXTWRPQL-KRWDZBQOSA-N 0 0 417.874 4.489 20 5 HIBDRN C[C@@H](CC(=O)c1ccccc1F)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464631879 877848926 /nfs/dbraw/zinc/84/89/26/877848926.db2.gz OJNOOIRKHNJJLZ-HNNXBMFYSA-N 0 0 414.433 4.013 20 5 HIBDRN O=C(c1ccc(N2CCCCCC2)nc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464632838 877850081 /nfs/dbraw/zinc/85/00/81/877850081.db2.gz QPLKFJMAJWTVHU-UHFFFAOYSA-N 0 0 424.501 4.054 20 5 HIBDRN C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Oc1ccc(Br)cc1 ZINC000464641750 877859520 /nfs/dbraw/zinc/85/95/20/877859520.db2.gz ZECQQPDNWZRTDD-NSHDSACASA-N 0 0 418.247 4.036 20 5 HIBDRN Cc1cc(C(F)(F)F)ncc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000464657403 877878824 /nfs/dbraw/zinc/87/88/24/877878824.db2.gz BMNIBIBAVLEKDX-UHFFFAOYSA-N 0 0 410.171 4.393 20 5 HIBDRN O=C(CCCOc1ccc(F)cc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464664814 877885349 /nfs/dbraw/zinc/88/53/49/877885349.db2.gz QCTJWGTXADRCGN-UHFFFAOYSA-N 0 0 420.412 4.102 20 5 HIBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000464672328 877891452 /nfs/dbraw/zinc/89/14/52/877891452.db2.gz RMURLQAWFBJNOY-IBGZPJMESA-N 0 0 406.360 4.224 20 5 HIBDRN COc1cc(CN(Cc2c(C)noc2C)Cc2c(C)noc2C)c([N+](=O)[O-])cc1F ZINC000464683757 877898428 /nfs/dbraw/zinc/89/84/28/877898428.db2.gz YGEWOERLMXYNJJ-UHFFFAOYSA-N 0 0 418.425 4.155 20 5 HIBDRN CCN(C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000464683895 877899430 /nfs/dbraw/zinc/89/94/30/877899430.db2.gz YQNDJONTWULZDE-LMMKCTJWSA-N 0 0 417.550 4.497 20 5 HIBDRN C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Oc1cccc(Br)c1 ZINC000464691293 877904900 /nfs/dbraw/zinc/90/49/00/877904900.db2.gz OVHVMWUTMDVCMZ-NSHDSACASA-N 0 0 419.231 4.301 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000464701194 877920065 /nfs/dbraw/zinc/92/00/65/877920065.db2.gz TVPNYHMNGGEHER-CQSZACIVSA-N 0 0 413.478 4.117 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCOC[C@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000464702367 877921036 /nfs/dbraw/zinc/92/10/36/877921036.db2.gz HXGOJSWQDZNDIN-IXFSTUDKSA-N 0 0 423.513 4.291 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000464704272 877925131 /nfs/dbraw/zinc/92/51/31/877925131.db2.gz DLIKRDAMURDWSR-JTQLQIEISA-N 0 0 411.227 4.386 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)ccc1I ZINC000464708726 877932822 /nfs/dbraw/zinc/93/28/22/877932822.db2.gz IPTWSRXRBAAHLE-UHFFFAOYSA-N 0 0 410.211 4.323 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000464713677 877938150 /nfs/dbraw/zinc/93/81/50/877938150.db2.gz WPACLGMIZQJZHR-NEPJUHHUSA-N 0 0 422.869 4.324 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000464722507 877951435 /nfs/dbraw/zinc/95/14/35/877951435.db2.gz GRJUFPGELOJLGS-UHFFFAOYSA-N 0 0 405.410 4.301 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000464732247 877966519 /nfs/dbraw/zinc/96/65/19/877966519.db2.gz XAQQNCYJTDGXEM-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000503314922 912295282 /nfs/dbraw/zinc/29/52/82/912295282.db2.gz PAKAZCPQBFNDBK-CQSZACIVSA-N 0 0 412.467 4.261 20 5 HIBDRN O=C(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(Cl)c1Cl ZINC000464785538 878031721 /nfs/dbraw/zinc/03/17/21/878031721.db2.gz PVKQQJJAFDSXOD-UHFFFAOYSA-N 0 0 424.284 4.384 20 5 HIBDRN COc1ccc(CSCC(=O)NCCCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000503333986 912311221 /nfs/dbraw/zinc/31/12/21/912311221.db2.gz PVABBPKRMHGXRC-UHFFFAOYSA-N 0 0 408.907 4.239 20 5 HIBDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000464980049 878325567 /nfs/dbraw/zinc/32/55/67/878325567.db2.gz JQCFCQQUDZRZHA-UHFFFAOYSA-N 0 0 402.882 4.022 20 5 HIBDRN C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cc(Cl)ccc1Cl ZINC000465020486 878382881 /nfs/dbraw/zinc/38/28/81/878382881.db2.gz FDOXDCCLRVYRAT-SNVBAGLBSA-N 0 0 411.241 4.093 20 5 HIBDRN CCCN(Cc1c(F)cccc1Cl)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465032777 878397218 /nfs/dbraw/zinc/39/72/18/878397218.db2.gz HPJBUTVPTLPBOX-UHFFFAOYSA-N 0 0 422.840 4.140 20 5 HIBDRN COc1cc(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000465046194 878407945 /nfs/dbraw/zinc/40/79/45/878407945.db2.gz AFPPNZQZBSUYHE-UHFFFAOYSA-N 0 0 406.866 4.264 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3cccc(Br)c3n2)ccc1[N+](=O)[O-] ZINC000465070894 878430365 /nfs/dbraw/zinc/43/03/65/878430365.db2.gz FEFZNUQRALUQQO-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCc1ccccc1OC(F)(F)F ZINC000465075358 878435963 /nfs/dbraw/zinc/43/59/63/878435963.db2.gz RBHIETJZUDFPQO-UHFFFAOYSA-N 0 0 402.756 4.048 20 5 HIBDRN Cc1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCC2 ZINC000465109588 878485253 /nfs/dbraw/zinc/48/52/53/878485253.db2.gz CQYZJOPYLXYGPT-ZDUSSCGKSA-N 0 0 419.528 4.148 20 5 HIBDRN CCc1ccc([C@H]2CCCCCN2C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000465137737 878518230 /nfs/dbraw/zinc/51/82/30/878518230.db2.gz JHFMQNFULHEJPF-QGZVFWFLSA-N 0 0 414.458 4.208 20 5 HIBDRN CC(C)Sc1ccc([C@H](C)NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000465138606 878520136 /nfs/dbraw/zinc/52/01/36/878520136.db2.gz LOZIDQZDNMMSSR-AWEZNQCLSA-N 0 0 416.499 4.286 20 5 HIBDRN Cc1ccc(-c2nc(CNC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)co2)cc1 ZINC000465189178 878583887 /nfs/dbraw/zinc/58/38/87/878583887.db2.gz WOKQDPOKTYYVAO-UHFFFAOYSA-N 0 0 420.469 4.091 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000503422387 912416274 /nfs/dbraw/zinc/41/62/74/912416274.db2.gz AYQFQGXOAAGIQN-UHFFFAOYSA-N 0 0 414.487 4.269 20 5 HIBDRN C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000465644256 879162568 /nfs/dbraw/zinc/16/25/68/879162568.db2.gz ZBSIPEUDWMJYJH-GDBMZVCRSA-N 0 0 402.882 4.277 20 5 HIBDRN C[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1 ZINC000465644255 879162787 /nfs/dbraw/zinc/16/27/87/879162787.db2.gz ZBNAQEHESNGRGA-STQMWFEESA-N 0 0 422.279 4.185 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000465646040 879164577 /nfs/dbraw/zinc/16/45/77/879164577.db2.gz MPAGVIHOBJBUCW-JKSUJKDBSA-N 0 0 416.909 4.398 20 5 HIBDRN O=C(NCc1ccc(Oc2ccccc2)nc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000503434499 912440050 /nfs/dbraw/zinc/44/00/50/912440050.db2.gz LSEUUJPQHHDAEA-UHFFFAOYSA-N 0 0 418.453 4.312 20 5 HIBDRN CCOc1cccc([C@@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000465791928 879400437 /nfs/dbraw/zinc/40/04/37/879400437.db2.gz VICXUVXLVJZTKT-MRXNPFEDSA-N 0 0 413.474 4.308 20 5 HIBDRN Cc1cccc2[nH]cc(CCNC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c21 ZINC000465896758 879554382 /nfs/dbraw/zinc/55/43/82/879554382.db2.gz IKOSDQXHLSKTOE-UHFFFAOYSA-N 0 0 422.485 4.180 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](COCc2ccccc2)C1 ZINC000465983178 879654931 /nfs/dbraw/zinc/65/49/31/879654931.db2.gz RBPXULIIFQIQID-NRFANRHFSA-N 0 0 411.502 4.166 20 5 HIBDRN Cc1ccc(C[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000466018673 879702933 /nfs/dbraw/zinc/70/29/33/879702933.db2.gz OXDMFUFNEYNWGU-NRFANRHFSA-N 0 0 404.470 4.124 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000466140073 879850149 /nfs/dbraw/zinc/85/01/49/879850149.db2.gz FQFQDCCLPFDUAE-UHFFFAOYSA-N 0 0 410.449 4.347 20 5 HIBDRN CN(C(=O)c1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1)c1ccccc1 ZINC000466147146 879855047 /nfs/dbraw/zinc/85/50/47/879855047.db2.gz PTXDMWYSSFXYAM-UHFFFAOYSA-N 0 0 418.453 4.236 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000466222830 879920685 /nfs/dbraw/zinc/92/06/85/879920685.db2.gz HXNCYSJRSNOZIJ-HXUWFJFHSA-N 0 0 417.893 4.354 20 5 HIBDRN Cn1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 ZINC000466236395 879940854 /nfs/dbraw/zinc/94/08/54/879940854.db2.gz AYSSZAPSLAYDLU-UHFFFAOYSA-N 0 0 416.890 4.105 20 5 HIBDRN CC[C@H](Cc1ccccc1Br)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000466261723 879990746 /nfs/dbraw/zinc/99/07/46/879990746.db2.gz UGBMURVPGDAGKS-CQSZACIVSA-N 0 0 405.292 4.285 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H]2COc3ccc(F)cc32)cc1[N+](=O)[O-])c1ccccn1 ZINC000466263774 879994433 /nfs/dbraw/zinc/99/44/33/879994433.db2.gz WADRGUYMSIMUDQ-BFUOFWGJSA-N 0 0 422.416 4.166 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466273237 880010983 /nfs/dbraw/zinc/01/09/83/880010983.db2.gz QSKHACINSOFQNM-VIFPVBQESA-N 0 0 418.803 4.044 20 5 HIBDRN CCOc1c(Cl)cc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1Cl ZINC000466283709 880025153 /nfs/dbraw/zinc/02/51/53/880025153.db2.gz SQFXXPYXSSMUOF-UHFFFAOYSA-N 0 0 422.228 4.133 20 5 HIBDRN CC[C@@H]1Cc2ccccc2CN1C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000466284885 880027766 /nfs/dbraw/zinc/02/77/66/880027766.db2.gz CCMPZHYETOHMGR-CQSZACIVSA-N 0 0 406.385 4.182 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000466286541 880030548 /nfs/dbraw/zinc/03/05/48/880030548.db2.gz GUMBGXZNLINPFZ-QGZVFWFLSA-N 0 0 407.239 4.403 20 5 HIBDRN O=C(Nc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccs1 ZINC000466297607 880045014 /nfs/dbraw/zinc/04/50/14/880045014.db2.gz MCYLXYNZWRQQBY-UHFFFAOYSA-N 0 0 415.858 4.492 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000466301458 880049615 /nfs/dbraw/zinc/04/96/15/880049615.db2.gz XKFWTGNAYHBEAU-UHFFFAOYSA-N 0 0 409.829 4.431 20 5 HIBDRN C[C@@H](C(=O)NCc1cc2cc(Br)ccc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000466334228 880089434 /nfs/dbraw/zinc/08/94/34/880089434.db2.gz ZEGYQRSMFLRCKX-SNVBAGLBSA-N 0 0 420.238 4.398 20 5 HIBDRN CC(NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)(c1ccccc1)c1ccccc1 ZINC000503491735 912538243 /nfs/dbraw/zinc/53/82/43/912538243.db2.gz SOVNQXQAWUJKBM-UHFFFAOYSA-N 0 0 410.495 4.020 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccncc3OCC(F)(F)F)o2)cc1 ZINC000466413303 880181411 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C[C@H](Cn1cccn1)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466788670 880567654 /nfs/dbraw/zinc/56/76/54/880567654.db2.gz KRDFVORNOJHTRH-CYBMUJFWSA-N 0 0 416.890 4.414 20 5 HIBDRN C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1nncn1C ZINC000466791797 880570214 /nfs/dbraw/zinc/57/02/14/880570214.db2.gz WBUGZTGJLDXTJD-NSHDSACASA-N 0 0 417.878 4.019 20 5 HIBDRN COc1cc(C(=O)N2CCC(c3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] ZINC000466796117 880574394 /nfs/dbraw/zinc/57/43/94/880574394.db2.gz ODRPBVFQVBHRPG-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC(c2cccc(Br)c2)CC1 ZINC000466798205 880576076 /nfs/dbraw/zinc/57/60/76/880576076.db2.gz ZDRKOLNDONUOJI-UHFFFAOYSA-N 0 0 421.266 4.445 20 5 HIBDRN CCOC(=O)c1ccnc(N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1[N+](=O)[O-] ZINC000466825397 880596349 /nfs/dbraw/zinc/59/63/49/880596349.db2.gz WKRQCYMAPCHXII-OAHLLOKOSA-N 0 0 415.837 4.038 20 5 HIBDRN C[C@]1(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000466834027 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COCCCn1c(Sc2cc(C)c([N+](=O)[O-])cn2)nnc1-c1ccccc1Cl ZINC000470861034 885353484 /nfs/dbraw/zinc/35/34/84/885353484.db2.gz SPTMNPINDCSZCD-UHFFFAOYSA-N 0 0 419.894 4.398 20 5 HIBDRN CC[C@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000470867589 885355518 /nfs/dbraw/zinc/35/55/18/885355518.db2.gz XVDBIENLLXQQEG-SFHVURJKSA-N 0 0 419.503 4.013 20 5 HIBDRN CO[C@@]1(C)CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000470905816 885410880 /nfs/dbraw/zinc/41/08/80/885410880.db2.gz JQEKQTBHWPKMNV-FPOVZHCZSA-N 0 0 417.893 4.429 20 5 HIBDRN Cn1nc(C(F)F)c2cc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)sc21 ZINC000470966825 885466944 /nfs/dbraw/zinc/46/69/44/885466944.db2.gz KZTQBSGOQVXMGZ-INIZCTEOSA-N 0 0 424.454 4.368 20 5 HIBDRN Cn1nc(C(F)F)c2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)sc21 ZINC000471049237 885564027 /nfs/dbraw/zinc/56/40/27/885564027.db2.gz VKBGQQWOMPRLAY-UHFFFAOYSA-N 0 0 406.414 4.285 20 5 HIBDRN CCOc1ccc(NC(=O)CN[C@@H](c2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000471064689 885582292 /nfs/dbraw/zinc/58/22/92/885582292.db2.gz FVEINTZNMWKVFL-QHCPKHFHSA-N 0 0 420.469 4.015 20 5 HIBDRN C[C@]1(O)CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000471074072 885594074 /nfs/dbraw/zinc/59/40/74/885594074.db2.gz ZVNFMCFNHBDCTJ-CTNGQTDRSA-N 0 0 417.893 4.165 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1c(F)cccc1I ZINC000471092802 885623359 /nfs/dbraw/zinc/62/33/59/885623359.db2.gz OVMSHGPAVCPIKQ-UHFFFAOYSA-N 0 0 414.174 4.208 20 5 HIBDRN COc1ccc(NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)c([N+](=O)[O-])c1 ZINC000471105969 885640665 /nfs/dbraw/zinc/64/06/65/885640665.db2.gz XCQVVWXJERJDDM-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000471140799 885685563 /nfs/dbraw/zinc/68/55/63/885685563.db2.gz UPSAKBYAAWIXMO-ZDUSSCGKSA-N 0 0 424.284 4.309 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000471151826 885700699 /nfs/dbraw/zinc/70/06/99/885700699.db2.gz PIIGMSLJGVWXHJ-UHFFFAOYSA-N 0 0 411.227 4.167 20 5 HIBDRN CC(C)(C)OC(=O)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000471216248 885789883 /nfs/dbraw/zinc/78/98/83/885789883.db2.gz PGFINVGCIVHXNH-UHFFFAOYSA-N 0 0 419.865 4.035 20 5 HIBDRN CCc1ccc(C(=O)Nc2cc(OC)c(OC)cc2Br)cc1[N+](=O)[O-] ZINC000471259304 885838323 /nfs/dbraw/zinc/83/83/23/885838323.db2.gz NPXLKAARBIOOCK-UHFFFAOYSA-N 0 0 409.236 4.189 20 5 HIBDRN COC1CCC(C)(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000471271061 885848384 /nfs/dbraw/zinc/84/83/84/885848384.db2.gz ZRLTVDHZKSOKLD-UHFFFAOYSA-N 0 0 420.453 4.417 20 5 HIBDRN CS(=O)(=O)c1ccc(-c2nc(COc3c(Cl)cccc3[N+](=O)[O-])cs2)cc1 ZINC000471287705 885871130 /nfs/dbraw/zinc/87/11/30/885871130.db2.gz KLSJREKPSAEZQT-UHFFFAOYSA-N 0 0 424.887 4.354 20 5 HIBDRN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000471293748 885878845 /nfs/dbraw/zinc/87/88/45/885878845.db2.gz VYHAFTWFBZHUBT-UHFFFAOYSA-N 0 0 414.849 4.377 20 5 HIBDRN Cc1nnc(-c2cc(F)ccc2NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 ZINC000471347926 885959472 /nfs/dbraw/zinc/95/94/72/885959472.db2.gz WFRIDIFUAXCGCA-UHFFFAOYSA-N 0 0 410.283 4.363 20 5 HIBDRN CC(C)Oc1cc(Br)cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000471357567 885978691 /nfs/dbraw/zinc/97/86/91/885978691.db2.gz PBFYANWTNGKIRA-UHFFFAOYSA-N 0 0 405.248 4.347 20 5 HIBDRN CC(C)Oc1cc(Br)cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000471364050 885994604 /nfs/dbraw/zinc/99/46/04/885994604.db2.gz RVMYMVUWOHNJOT-UHFFFAOYSA-N 0 0 405.248 4.347 20 5 HIBDRN Cc1c(NC(=O)N(C)C)cccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000471372575 886012004 /nfs/dbraw/zinc/01/20/04/886012004.db2.gz GLVQNAWKAUSCSB-UHFFFAOYSA-N 0 0 411.462 4.193 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000471382328 886030220 /nfs/dbraw/zinc/03/02/20/886030220.db2.gz FUWLCJVECUPNTM-JOCHJYFZSA-N 0 0 421.453 4.225 20 5 HIBDRN COc1ncc(C)cc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000471419118 886074473 /nfs/dbraw/zinc/07/44/73/886074473.db2.gz OXGNRGLOAHUZTC-UHFFFAOYSA-N 0 0 416.484 4.475 20 5 HIBDRN COc1ncc(C)cc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000471423575 886079238 /nfs/dbraw/zinc/07/92/38/886079238.db2.gz XRBVLLUHJBEMMT-UHFFFAOYSA-N 0 0 422.228 4.052 20 5 HIBDRN CCC(CC)N(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000471439765 886102990 /nfs/dbraw/zinc/10/29/90/886102990.db2.gz JJAWGJUVTIVYNK-UHFFFAOYSA-N 0 0 423.469 4.392 20 5 HIBDRN COc1cccc([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 ZINC000471460791 886141810 /nfs/dbraw/zinc/14/18/10/886141810.db2.gz XEZFXKUCFGKOMX-OAQYLSRUSA-N 0 0 410.401 4.271 20 5 HIBDRN O=[N+]([O-])c1ccc(OC[C@H](O)COc2ccc(Cl)cc2Cl)c2cccnc21 ZINC000471477266 886171644 /nfs/dbraw/zinc/17/16/44/886171644.db2.gz VBOLSWPPJRDTKD-LBPRGKRZSA-N 0 0 409.225 4.269 20 5 HIBDRN O=C(NCc1ccc2ncccc2c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000471559405 886267724 /nfs/dbraw/zinc/26/77/24/886267724.db2.gz NXQNBKJTTQRUCQ-UHFFFAOYSA-N 0 0 405.332 4.014 20 5 HIBDRN Cc1nn(CCC(=O)NC(C)(C)Cc2ccc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000471560244 886269597 /nfs/dbraw/zinc/26/95/97/886269597.db2.gz UZNQJBUQITUBRW-UHFFFAOYSA-N 0 0 413.305 4.243 20 5 HIBDRN CN(Cc1ccnn1C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000471565328 886275046 /nfs/dbraw/zinc/27/50/46/886275046.db2.gz COHUDRSGDMIUKI-UHFFFAOYSA-N 0 0 416.890 4.405 20 5 HIBDRN O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000471566234 886276313 /nfs/dbraw/zinc/27/63/13/886276313.db2.gz IQUDZXVCSRMFLB-UHFFFAOYSA-N 0 0 408.389 4.308 20 5 HIBDRN COC(=O)C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000471627557 886344892 /nfs/dbraw/zinc/34/48/92/886344892.db2.gz JNSZNBZTUFWSOG-SFHVURJKSA-N 0 0 424.478 4.261 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)cc([N+](=O)[O-])c1OC ZINC000471633178 886352309 /nfs/dbraw/zinc/35/23/09/886352309.db2.gz FDBWXZXADVOHPV-UHFFFAOYSA-N 0 0 424.413 4.100 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2ncccc12)Nc1ccc(Br)cc1F ZINC000471855495 886625376 /nfs/dbraw/zinc/62/53/76/886625376.db2.gz FXCLJIPCNQYHLK-UHFFFAOYSA-N 0 0 420.194 4.062 20 5 HIBDRN COc1cccc(C=C2CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000471872566 886650359 /nfs/dbraw/zinc/65/03/59/886650359.db2.gz VOGKPPOMJAXZDC-UHFFFAOYSA-N 0 0 422.890 4.125 20 5 HIBDRN CCc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)cc1[N+](=O)[O-] ZINC000471882414 886662754 /nfs/dbraw/zinc/66/27/54/886662754.db2.gz WZMVGYAYZQGLOT-UHFFFAOYSA-N 0 0 418.457 4.046 20 5 HIBDRN Cn1c(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)nnc1-c1ccc(Cl)cc1 ZINC000471896727 886679315 /nfs/dbraw/zinc/67/93/15/886679315.db2.gz PEQRACLTTPITIF-UHFFFAOYSA-N 0 0 403.229 4.095 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)cc1[N+](=O)[O-] ZINC000471944104 886745173 /nfs/dbraw/zinc/74/51/73/886745173.db2.gz QEPZKNWTLKSDOH-UHFFFAOYSA-N 0 0 405.410 4.301 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)Nc3ccc4n[nH]nc4c3)cc2[N+](=O)[O-])n1 ZINC000471944337 886745467 /nfs/dbraw/zinc/74/54/67/886745467.db2.gz RALQNFKCNLYWDI-UHFFFAOYSA-N 0 0 412.456 4.035 20 5 HIBDRN CCc1ccc(C(=O)N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC000471995997 886821686 /nfs/dbraw/zinc/82/16/86/886821686.db2.gz SDUGVOGIPNHNNN-QGZVFWFLSA-N 0 0 424.501 4.140 20 5 HIBDRN Cn1cc(C(=O)N2CC=C(c3c(F)cccc3F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000472020481 886842967 /nfs/dbraw/zinc/84/29/67/886842967.db2.gz STGRWTFTQPUOKP-UHFFFAOYSA-N 0 0 424.407 4.203 20 5 HIBDRN C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000472158864 886956922 /nfs/dbraw/zinc/95/69/22/886956922.db2.gz QUCNKEOGPGPXPH-WCQYABFASA-N 0 0 409.273 4.113 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1CCC(O)CC1 ZINC000472159834 886958809 /nfs/dbraw/zinc/95/88/09/886958809.db2.gz SSGPUHXIIVACER-UHFFFAOYSA-N 0 0 422.840 4.347 20 5 HIBDRN C[C@H](SCC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000472207179 887009306 /nfs/dbraw/zinc/00/93/06/887009306.db2.gz NMYLHZIFZWBQKG-VIFPVBQESA-N 0 0 408.398 4.016 20 5 HIBDRN Cc1cc(-c2noc([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)ccc1F ZINC000472388708 887233806 /nfs/dbraw/zinc/23/38/06/887233806.db2.gz NSUDDYRVJNAFKU-SNVBAGLBSA-N 0 0 404.785 4.237 20 5 HIBDRN COc1ccc(CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C(C)(C)C)c(OC)c1 ZINC000472489617 887356899 /nfs/dbraw/zinc/35/68/99/887356899.db2.gz VBWIJGNHLNKZMH-UHFFFAOYSA-N 0 0 400.475 4.290 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)cc1F ZINC000472542174 887418564 /nfs/dbraw/zinc/41/85/64/887418564.db2.gz PWEOVPLOIBARGV-LLVKDONJSA-N 0 0 410.361 4.330 20 5 HIBDRN Cc1c2ccccc2oc1[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)C ZINC000472617145 887485957 /nfs/dbraw/zinc/48/59/57/887485957.db2.gz HGJDRFHBKHCOFP-GOSISDBHSA-N 0 0 413.405 4.241 20 5 HIBDRN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@]1(c2ccccc2)CCCCC1=O ZINC000472634137 887499458 /nfs/dbraw/zinc/49/94/58/887499458.db2.gz AUCMTTTXXZBFED-NRFANRHFSA-N 0 0 415.877 4.157 20 5 HIBDRN CCOC(=O)c1sc2ncnc(Oc3ccc([N+](=O)[O-])c4ncccc34)c2c1C ZINC000472661893 887519236 /nfs/dbraw/zinc/51/92/36/887519236.db2.gz VYBOSHLXMWVJTE-UHFFFAOYSA-N 0 0 410.411 4.425 20 5 HIBDRN CCCc1cccc(C(C)C)c1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000472671939 887526170 /nfs/dbraw/zinc/52/61/70/887526170.db2.gz XRCRJIXINXMVBY-UHFFFAOYSA-N 0 0 404.488 4.327 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2-n2cccn2)cc1OC ZINC000472672512 887527473 /nfs/dbraw/zinc/52/74/73/887527473.db2.gz QZXDRMXGDJUSBA-UHFFFAOYSA-N 0 0 416.821 4.094 20 5 HIBDRN Cc1nc(CC(C)C)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000472720440 887569164 /nfs/dbraw/zinc/56/91/64/887569164.db2.gz FIVFUDYOGMVRQP-UHFFFAOYSA-N 0 0 402.520 4.413 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC(C)C ZINC000472770249 887616990 /nfs/dbraw/zinc/61/69/90/887616990.db2.gz LLMUFSKMGSBXRI-IERDGZPVSA-N 0 0 415.490 4.438 20 5 HIBDRN COc1ccc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1Br ZINC000504317310 913163535 /nfs/dbraw/zinc/16/35/35/913163535.db2.gz CCLXCCJBYCNMDG-LBPRGKRZSA-N 0 0 419.275 4.276 20 5 HIBDRN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000504319025 913164985 /nfs/dbraw/zinc/16/49/85/913164985.db2.gz SYDBKUDMQMUWIG-CYBMUJFWSA-N 0 0 407.455 4.223 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)cc2[N+](=O)[O-])n1 ZINC000472895399 887743331 /nfs/dbraw/zinc/74/33/31/887743331.db2.gz HSEVZAVLUINUDY-SQWLQELKSA-N 0 0 419.528 4.198 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000472911266 887757555 /nfs/dbraw/zinc/75/75/55/887757555.db2.gz CCSWESDSZGBTHR-DFQSSKMNSA-N 0 0 412.442 4.083 20 5 HIBDRN COc1cccc(C=C2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC2)c1 ZINC000472982350 887825244 /nfs/dbraw/zinc/82/52/44/887825244.db2.gz YVFUGOMEPNDIQW-UHFFFAOYSA-N 0 0 418.453 4.109 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F ZINC000473072952 887890043 /nfs/dbraw/zinc/89/00/43/887890043.db2.gz RZSRIGAEYISMKN-JTQLQIEISA-N 0 0 404.785 4.237 20 5 HIBDRN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000473207787 887983852 /nfs/dbraw/zinc/98/38/52/887983852.db2.gz LQSWQXXUWAKFEV-LJQANCHMSA-N 0 0 413.474 4.226 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000473229605 888002070 /nfs/dbraw/zinc/00/20/70/888002070.db2.gz FWBPSRINWYVIIR-IBGZPJMESA-N 0 0 406.442 4.118 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000504393424 913214933 /nfs/dbraw/zinc/21/49/33/913214933.db2.gz FSHQWYBHCINZIS-NVGVWMPQSA-N 0 0 401.260 4.439 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc2ccccc2c1 ZINC000473508474 888237245 /nfs/dbraw/zinc/23/72/45/888237245.db2.gz WBPXMTHEFQOVNE-IBGZPJMESA-N 0 0 407.426 4.482 20 5 HIBDRN O=C(N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1)C12CC3CC(CC(C3)C1)C2 ZINC000473512111 888240625 /nfs/dbraw/zinc/24/06/25/888240625.db2.gz GQYIWVUDUVMLBZ-UHFFFAOYSA-N 0 0 420.513 4.008 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000473511860 888240648 /nfs/dbraw/zinc/24/06/48/888240648.db2.gz ZDVKWGGBFLCFPS-CQSZACIVSA-N 0 0 404.348 4.215 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1cc(F)ccc1F ZINC000473513463 888244224 /nfs/dbraw/zinc/24/42/24/888244224.db2.gz FQCRXRAIPYZAKN-UHFFFAOYSA-N 0 0 420.359 4.343 20 5 HIBDRN Cc1cc(N(C)Cc2nccn2CC(F)(F)F)c(Br)cc1[N+](=O)[O-] ZINC000473514848 888245278 /nfs/dbraw/zinc/24/52/78/888245278.db2.gz YKUXXTSBLXRAPM-UHFFFAOYSA-N 0 0 407.190 4.061 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(Nc2nc3ccccc3cc2[N+](=O)[O-])c1)n1cccn1 ZINC000473517626 888248928 /nfs/dbraw/zinc/24/89/28/888248928.db2.gz JAIZMMRVMITDJP-CQSZACIVSA-N 0 0 402.414 4.283 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000473521789 888257407 /nfs/dbraw/zinc/25/74/07/888257407.db2.gz RJSOMEDELXVQAM-SFHVURJKSA-N 0 0 401.369 4.322 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1Nc1cccc(C[S@](=O)C2CCOCC2)c1 ZINC000473522939 888259081 /nfs/dbraw/zinc/25/90/81/888259081.db2.gz MRDDBQNZSWWAKX-GDLZYMKVSA-N 0 0 411.483 4.314 20 5 HIBDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000473532371 888270567 /nfs/dbraw/zinc/27/05/67/888270567.db2.gz PXEUGXKXQJRPNJ-JWNZJDHWSA-N 0 0 402.497 4.380 20 5 HIBDRN O=C(Nc1ccc(Cl)cn1)C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473536843 888274860 /nfs/dbraw/zinc/27/48/60/888274860.db2.gz XMNSGIOWVGIBCP-UHFFFAOYSA-N 0 0 411.849 4.047 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000473550905 888289514 /nfs/dbraw/zinc/28/95/14/888289514.db2.gz PHXAGXSMVNJOGR-GAJHUEQPSA-N 0 0 424.501 4.196 20 5 HIBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1 ZINC000473587104 888329887 /nfs/dbraw/zinc/32/98/87/888329887.db2.gz ZSYRXJGVWFJOBY-UHFFFAOYSA-N 0 0 418.236 4.369 20 5 HIBDRN COc1c(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)oc2ccccc21 ZINC000473713670 888490356 /nfs/dbraw/zinc/49/03/56/888490356.db2.gz IBQPDTOITDEARX-UHFFFAOYSA-N 0 0 407.329 4.273 20 5 HIBDRN Cc1cc(NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000473769641 888566593 /nfs/dbraw/zinc/56/65/93/888566593.db2.gz OBNPYGLNBHCQFG-QGZVFWFLSA-N 0 0 420.263 4.271 20 5 HIBDRN Cc1cc(NC(=O)NCC2(c3ccccc3Cl)CCOCC2)ccc1[N+](=O)[O-] ZINC000473771617 888569789 /nfs/dbraw/zinc/56/97/89/888569789.db2.gz DYTVCDBFRHLQIB-UHFFFAOYSA-N 0 0 403.866 4.427 20 5 HIBDRN C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1noc(-c2ccccc2)n1 ZINC000473771558 888570125 /nfs/dbraw/zinc/57/01/25/888570125.db2.gz DHQHTGGIBRSEKE-JTQLQIEISA-N 0 0 419.344 4.129 20 5 HIBDRN Cc1cc(NC(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000473771796 888570372 /nfs/dbraw/zinc/57/03/72/888570372.db2.gz FYLLNSFGXFTRDA-QGZVFWFLSA-N 0 0 407.373 4.110 20 5 HIBDRN Cc1cc(NC(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)ccc1[N+](=O)[O-] ZINC000473779559 888584158 /nfs/dbraw/zinc/58/41/58/888584158.db2.gz YZUSVAFQKQWJFK-CQSZACIVSA-N 0 0 410.352 4.002 20 5 HIBDRN Cc1nc2[nH]c(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)nc2cc1Br ZINC000473799596 888620108 /nfs/dbraw/zinc/62/01/08/888620108.db2.gz TZLUPJWCHMYSQL-UHFFFAOYSA-N 0 0 419.264 4.106 20 5 HIBDRN CC(C)Sc1ccccc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000473839455 888680637 /nfs/dbraw/zinc/68/06/37/888680637.db2.gz JGRQKYMPBXILTF-UHFFFAOYSA-N 0 0 400.504 4.449 20 5 HIBDRN CCOC(=O)c1sc([C@@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)nc1C ZINC000473866158 888721915 /nfs/dbraw/zinc/72/19/15/888721915.db2.gz BHEJILATNSYYTM-GFCCVEGCSA-N 0 0 405.476 4.151 20 5 HIBDRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000473894201 888766350 /nfs/dbraw/zinc/76/63/50/888766350.db2.gz KIDKMTNGUYQRPI-AWEZNQCLSA-N 0 0 404.467 4.107 20 5 HIBDRN Cc1cc(=O)n(C)cc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000473957208 888828257 /nfs/dbraw/zinc/82/82/57/888828257.db2.gz OYXSZKIOPUBAGE-UHFFFAOYSA-N 0 0 413.817 4.300 20 5 HIBDRN CCCCCOC1CN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000473968914 888836113 /nfs/dbraw/zinc/83/61/13/888836113.db2.gz JLBRIGUUYVRKFX-INIZCTEOSA-N 0 0 412.490 4.194 20 5 HIBDRN CC(C)c1nnc2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cn21 ZINC000474088280 888915051 /nfs/dbraw/zinc/91/50/51/888915051.db2.gz ICEOFSBAKIQICZ-UHFFFAOYSA-N 0 0 408.443 4.137 20 5 HIBDRN CC(C)[C@](C)(O)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000474126675 888947225 /nfs/dbraw/zinc/94/72/25/888947225.db2.gz SHOLPOGVBBKHEO-IBGZPJMESA-N 0 0 410.829 4.203 20 5 HIBDRN C[C@H](Oc1ccccc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000474141580 888965913 /nfs/dbraw/zinc/96/59/13/888965913.db2.gz ZZTSPEAVUVTUOB-INIZCTEOSA-N 0 0 419.437 4.103 20 5 HIBDRN CCOc1ccc(NC(=O)CN2CCCC[C@@H]2c2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000474236773 889081712 /nfs/dbraw/zinc/08/17/12/889081712.db2.gz XKRFIQXRYJDLLX-GOSISDBHSA-N 0 0 424.457 4.300 20 5 HIBDRN CCOc1ccc(NC(=O)CN2CCCC[C@H]2c2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000474236774 889081873 /nfs/dbraw/zinc/08/18/73/889081873.db2.gz XKRFIQXRYJDLLX-SFHVURJKSA-N 0 0 424.457 4.300 20 5 HIBDRN COc1cccc(C2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)c1 ZINC000474291423 889157860 /nfs/dbraw/zinc/15/78/60/889157860.db2.gz QXZMNXMKPXDCSO-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN CC(C)c1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000474383960 889257377 /nfs/dbraw/zinc/25/73/77/889257377.db2.gz GOZPNVLQAKQPNA-UHFFFAOYSA-N 0 0 422.407 4.094 20 5 HIBDRN COc1c(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cccc1[N+](=O)[O-] ZINC000474422363 889285556 /nfs/dbraw/zinc/28/55/56/889285556.db2.gz SXWQIFCCXFUFCR-UHFFFAOYSA-N 0 0 410.455 4.414 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000474648891 889512497 /nfs/dbraw/zinc/51/24/97/889512497.db2.gz IEUITSRAJZBKRS-GOEBONIOSA-N 0 0 411.792 4.205 20 5 HIBDRN CC[C@]1(C)Oc2ccc(NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])cc2O1 ZINC000474656191 889519721 /nfs/dbraw/zinc/51/97/21/889519721.db2.gz IGVZLPLCOVEIQI-LJQANCHMSA-N 0 0 404.444 4.475 20 5 HIBDRN COc1c(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)cccc1[N+](=O)[O-] ZINC000474700251 889559620 /nfs/dbraw/zinc/55/96/20/889559620.db2.gz BOPDRUKZDLOIEF-UHFFFAOYSA-N 0 0 423.238 4.310 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000474709444 889568539 /nfs/dbraw/zinc/56/85/39/889568539.db2.gz GWNIAXLXHMRHIV-UEKDZROGSA-N 0 0 414.433 4.336 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C ZINC000474709880 889568651 /nfs/dbraw/zinc/56/86/51/889568651.db2.gz FOFLVRGPXNIECI-IFXJQAMLSA-N 0 0 413.430 4.050 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccc[nH]2)cc1[N+](=O)[O-] ZINC000474726696 889582065 /nfs/dbraw/zinc/58/20/65/889582065.db2.gz HPYXFHMOHMATOZ-UHFFFAOYSA-N 0 0 409.467 4.148 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000474746649 889602417 /nfs/dbraw/zinc/60/24/17/889602417.db2.gz DZVUAGIRPBKZLH-UHFFFAOYSA-N 0 0 404.348 4.213 20 5 HIBDRN Cc1ccc([C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2cc(C)ccc2F)cc1 ZINC000474772630 889630635 /nfs/dbraw/zinc/63/06/35/889630635.db2.gz FVFVJDPHZFTQLT-KRWDZBQOSA-N 0 0 423.444 4.307 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000474801695 889653790 /nfs/dbraw/zinc/65/37/90/889653790.db2.gz MUDAETPPNYNFQX-UHFFFAOYSA-N 0 0 406.533 4.188 20 5 HIBDRN Cc1csc(NC2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)n1 ZINC000474814859 889667935 /nfs/dbraw/zinc/66/79/35/889667935.db2.gz GZQRJWWUIHVVDW-UHFFFAOYSA-N 0 0 402.520 4.374 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc2ccccc2c1 ZINC000474846095 889703410 /nfs/dbraw/zinc/70/34/10/889703410.db2.gz SJDRITYUNFZTJV-FQEVSTJZSA-N 0 0 417.421 4.264 20 5 HIBDRN CN(Cc1nc2c(s1)CCCC2)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000474904200 889764242 /nfs/dbraw/zinc/76/42/42/889764242.db2.gz AKEYFAGMNUOPQY-UHFFFAOYSA-N 0 0 414.512 4.326 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000474911457 889772739 /nfs/dbraw/zinc/77/27/39/889772739.db2.gz JLXAKOQDTIJPSQ-UHFFFAOYSA-N 0 0 424.400 4.232 20 5 HIBDRN COc1c(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])oc2ccccc21 ZINC000474929033 889787281 /nfs/dbraw/zinc/78/72/81/889787281.db2.gz OGEWKIMVCJHIGH-UHFFFAOYSA-N 0 0 424.331 4.221 20 5 HIBDRN CCOC1CC(CCNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000474932626 889791482 /nfs/dbraw/zinc/79/14/82/889791482.db2.gz VQGIPBUBSHSUGD-HNXFYBAISA-N 0 0 403.523 4.012 20 5 HIBDRN O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000475071767 889918165 /nfs/dbraw/zinc/91/81/65/889918165.db2.gz SFQIIBLAKORHTG-ZDUSSCGKSA-N 0 0 412.248 4.440 20 5 HIBDRN COC(=O)COc1ccc(CN2CC=C(c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000475090076 889937913 /nfs/dbraw/zinc/93/79/13/889937913.db2.gz FEBQQGAUJIJVJB-UHFFFAOYSA-N 0 0 416.861 4.089 20 5 HIBDRN COc1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000475102542 889950541 /nfs/dbraw/zinc/95/05/41/889950541.db2.gz IHXKJWPEFGVELF-ZDUSSCGKSA-N 0 0 406.822 4.067 20 5 HIBDRN COC(=O)[C@H](CC(F)F)NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000475149922 890016648 /nfs/dbraw/zinc/01/66/48/890016648.db2.gz JVJARIWBLKMWSV-HNNXBMFYSA-N 0 0 410.442 4.341 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000475213067 890081891 /nfs/dbraw/zinc/08/18/91/890081891.db2.gz FNTJXPJDUBKJGY-QMMMGPOBSA-N 0 0 401.345 4.177 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CCOC2(CCSCC2)C1 ZINC000475225864 890095035 /nfs/dbraw/zinc/09/50/35/890095035.db2.gz XPLKUTJJQPIMKS-LBPRGKRZSA-N 0 0 419.425 4.180 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC1CCC2(CCOCC2)CC1 ZINC000475228152 890098565 /nfs/dbraw/zinc/09/85/65/890098565.db2.gz CGJPYVDRLHJPAT-UHFFFAOYSA-N 0 0 401.385 4.475 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475257240 890147614 /nfs/dbraw/zinc/14/76/14/890147614.db2.gz XVGSPVWQHSFFPL-UHFFFAOYSA-N 0 0 412.364 4.096 20 5 HIBDRN C[C@H]1[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCN1c1ccccc1 ZINC000475262234 890153502 /nfs/dbraw/zinc/15/35/02/890153502.db2.gz ZGMPYSICTWFIQS-YJBOKZPZSA-N 0 0 421.419 4.401 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N(Cc2ccccc2)CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000475284743 890182247 /nfs/dbraw/zinc/18/22/47/890182247.db2.gz KMOFBPMRAOXZAM-SFHVURJKSA-N 0 0 411.502 4.481 20 5 HIBDRN C[C@@H]1OCC[C@]12CN(Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 ZINC000475293380 890196824 /nfs/dbraw/zinc/19/68/24/890196824.db2.gz WJHXVBIXYMVXPB-BTYIYWSLSA-N 0 0 418.877 4.420 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000475309202 890220517 /nfs/dbraw/zinc/22/05/17/890220517.db2.gz GROUSCYNNRSOLD-UHFFFAOYSA-N 0 0 414.418 4.312 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C(C)=O)ccc2Cl)c([N+](=O)[O-])cc1OC(F)F ZINC000475317389 890233668 /nfs/dbraw/zinc/23/36/68/890233668.db2.gz ZTSSWZOMGKDFRB-UHFFFAOYSA-N 0 0 414.748 4.313 20 5 HIBDRN COc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(OCCOC(C)C)c1 ZINC000475337456 890257594 /nfs/dbraw/zinc/25/75/94/890257594.db2.gz LLFCKDFBAQWDQO-UHFFFAOYSA-N 0 0 402.447 4.276 20 5 HIBDRN COc1cccc(NCCC(=O)Nc2ccc(Br)cc2C)c1[N+](=O)[O-] ZINC000475422273 890344010 /nfs/dbraw/zinc/34/40/10/890344010.db2.gz NJNHDMAFAORUBM-UHFFFAOYSA-N 0 0 408.252 4.115 20 5 HIBDRN CC(C)CN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000475499054 890408079 /nfs/dbraw/zinc/40/80/79/890408079.db2.gz RNQWRXKYOQCSKN-UHFFFAOYSA-N 0 0 424.284 4.321 20 5 HIBDRN COC(=O)COc1ccc(CN(C)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000475571496 890503211 /nfs/dbraw/zinc/50/32/11/890503211.db2.gz GAXHAHCFFVPILG-UHFFFAOYSA-N 0 0 413.257 4.085 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000475581419 890509993 /nfs/dbraw/zinc/50/99/93/890509993.db2.gz JGIZLLKGLWUHJS-UHFFFAOYSA-N 0 0 416.522 4.248 20 5 HIBDRN COc1ccc(C2(CNC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CCOCC2)cc1 ZINC000475643857 890585599 /nfs/dbraw/zinc/58/55/99/890585599.db2.gz YCQKYGFQHLBMPX-UHFFFAOYSA-N 0 0 413.474 4.090 20 5 HIBDRN O=[N+]([O-])c1ccc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 ZINC000475644755 890587243 /nfs/dbraw/zinc/58/72/43/890587243.db2.gz YAESRBHOMIFHNU-OAHLLOKOSA-N 0 0 419.197 4.199 20 5 HIBDRN Cn1nc(CCNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c2ccccc21 ZINC000475728701 890666517 /nfs/dbraw/zinc/66/65/17/890666517.db2.gz CGPMLRXSBBIQCZ-UHFFFAOYSA-N 0 0 403.442 4.110 20 5 HIBDRN NC(=O)c1ccc(N2CCC(COc3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000475729242 890667186 /nfs/dbraw/zinc/66/71/86/890667186.db2.gz FGMKPJACXNQKTM-UHFFFAOYSA-N 0 0 423.391 4.008 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000475804491 890739901 /nfs/dbraw/zinc/73/99/01/890739901.db2.gz CZLOCWBAEKXFKN-GOSISDBHSA-N 0 0 418.409 4.357 20 5 HIBDRN Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)cc1[N+](=O)[O-] ZINC000475842374 890775111 /nfs/dbraw/zinc/77/51/11/890775111.db2.gz WPALETWUUKMFON-QGZVFWFLSA-N 0 0 423.238 4.019 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H]3CCCOc4ccccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000504746897 913486275 /nfs/dbraw/zinc/48/62/75/913486275.db2.gz BQXMZDDPKZQYSX-FQEVSTJZSA-N 0 0 420.469 4.100 20 5 HIBDRN COc1c(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])oc2ccccc21 ZINC000475869182 890806899 /nfs/dbraw/zinc/80/68/99/890806899.db2.gz ZPDRCEMIRHFTTC-UHFFFAOYSA-N 0 0 406.847 4.412 20 5 HIBDRN CCCOc1cc(OC)ccc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000475952944 890874567 /nfs/dbraw/zinc/87/45/67/890874567.db2.gz COTQYNCNEQBVDV-FQEVSTJZSA-N 0 0 402.472 4.280 20 5 HIBDRN COc1c(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000476046377 890976794 /nfs/dbraw/zinc/97/67/94/890976794.db2.gz CBPPACOJARMBAP-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN O=C(c1cc2sc(N3CCCC3)nc2s1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000476089729 891012510 /nfs/dbraw/zinc/01/25/10/891012510.db2.gz HZVCBKZUBAVLHX-UHFFFAOYSA-N 0 0 414.512 4.459 20 5 HIBDRN Cc1ccc(C(=O)c2ccccc2C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1C ZINC000476140513 891062411 /nfs/dbraw/zinc/06/24/11/891062411.db2.gz GVEIUHXESKQOOX-UHFFFAOYSA-N 0 0 415.449 4.036 20 5 HIBDRN CC[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@H](C)[S@]1=O ZINC000476154238 891078852 /nfs/dbraw/zinc/07/88/52/891078852.db2.gz MBXJGBPZAFKNEC-QRWAVQCMSA-N 0 0 417.487 4.150 20 5 HIBDRN Cc1nc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl ZINC000476164300 891091480 /nfs/dbraw/zinc/09/14/80/891091480.db2.gz OWBXGIVUTMTFIX-UHFFFAOYSA-N 0 0 420.256 4.063 20 5 HIBDRN CC(C)[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1nncn1C ZINC000476184904 891116131 /nfs/dbraw/zinc/11/61/31/891116131.db2.gz ZQEGZFMFLNHOKH-SFHVURJKSA-N 0 0 410.434 4.034 20 5 HIBDRN COc1c(C(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cccc1[N+](=O)[O-] ZINC000476288891 891205301 /nfs/dbraw/zinc/20/53/01/891205301.db2.gz PTZKNCISPSKMHN-MRXNPFEDSA-N 0 0 400.822 4.110 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(N2CCc3ccccc32)CC1 ZINC000504836438 913557977 /nfs/dbraw/zinc/55/79/77/913557977.db2.gz DREYERKPHMIOQK-UHFFFAOYSA-N 0 0 410.474 4.053 20 5 HIBDRN CC(C)CN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000476570285 891489315 /nfs/dbraw/zinc/48/93/15/891489315.db2.gz ULOADRXJTNDKLP-MRXNPFEDSA-N 0 0 423.922 4.368 20 5 HIBDRN CCCN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000476607912 891543471 /nfs/dbraw/zinc/54/34/71/891543471.db2.gz JRJZYHJKAIMENH-OAHLLOKOSA-N 0 0 409.895 4.122 20 5 HIBDRN CC(C)CN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000476642657 891581826 /nfs/dbraw/zinc/58/18/26/891581826.db2.gz XIICZRDISOYADA-MRXNPFEDSA-N 0 0 423.922 4.368 20 5 HIBDRN Cc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)nn1-c1c(Cl)cccc1Cl ZINC000476675821 891625919 /nfs/dbraw/zinc/62/59/19/891625919.db2.gz NJASMJZISLXKFR-UHFFFAOYSA-N 0 0 406.229 4.351 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000476749550 891717389 /nfs/dbraw/zinc/71/73/89/891717389.db2.gz VKKHUHCYRXKPST-UHFFFAOYSA-N 0 0 401.781 4.289 20 5 HIBDRN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000476774969 891749330 /nfs/dbraw/zinc/74/93/30/891749330.db2.gz GXOCFABQELVWEA-INIZCTEOSA-N 0 0 416.452 4.072 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H]1C ZINC000476777289 891755246 /nfs/dbraw/zinc/75/52/46/891755246.db2.gz LHXCAGXEVUAKEY-IFXJQAMLSA-N 0 0 414.483 4.017 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000476778488 891758299 /nfs/dbraw/zinc/75/82/99/891758299.db2.gz NPJZQHADXFRVBR-GDBMZVCRSA-N 0 0 408.520 4.004 20 5 HIBDRN O=C(Nc1n[nH]c2cc(F)ccc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000476786223 891767838 /nfs/dbraw/zinc/76/78/38/891767838.db2.gz FWZUKKNLBOIJDV-UHFFFAOYSA-N 0 0 408.339 4.227 20 5 HIBDRN CCc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cnn1-c1ccccn1 ZINC000476806495 891791730 /nfs/dbraw/zinc/79/17/30/891791730.db2.gz RONNQEXNMZSQQE-UHFFFAOYSA-N 0 0 420.454 4.114 20 5 HIBDRN COC(=O)CCSCc1cccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC000504865304 913595292 /nfs/dbraw/zinc/59/52/92/913595292.db2.gz PLODLPKFSQRHGN-UHFFFAOYSA-N 0 0 420.512 4.365 20 5 HIBDRN Cn1nc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c2ccccc21 ZINC000476814592 891800272 /nfs/dbraw/zinc/80/02/72/891800272.db2.gz FLSJUTQNXFPRKJ-UHFFFAOYSA-N 0 0 416.437 4.246 20 5 HIBDRN COc1ccccc1N(Cc1ccc([N+](=O)[O-])cc1F)S(=O)(=O)c1cccs1 ZINC000476816131 891802006 /nfs/dbraw/zinc/80/20/06/891802006.db2.gz IIJVAABXUJVKRN-UHFFFAOYSA-N 0 0 422.459 4.200 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)c1 ZINC000476835817 891813944 /nfs/dbraw/zinc/81/39/44/891813944.db2.gz GBIDIRUKVDVGCR-UHFFFAOYSA-N 0 0 412.442 4.307 20 5 HIBDRN C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000476848596 891821320 /nfs/dbraw/zinc/82/13/20/891821320.db2.gz FEJQCVIQOXABCE-DZGCQCFKSA-N 0 0 422.407 4.253 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000476991240 891916319 /nfs/dbraw/zinc/91/63/19/891916319.db2.gz BTAIIWTYMNGXTR-SCLBCKFNSA-N 0 0 423.391 4.014 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000477044902 891972562 /nfs/dbraw/zinc/97/25/62/891972562.db2.gz QJNMCTVJUAQJQK-UHFFFAOYSA-N 0 0 419.840 4.195 20 5 HIBDRN COc1ccc([C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c2ccc(C)cc2)cc1 ZINC000477081927 892016297 /nfs/dbraw/zinc/01/62/97/892016297.db2.gz CPUDHPHCHAANFA-HSZRJFAPSA-N 0 0 408.429 4.499 20 5 HIBDRN COc1c(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000477095495 892029133 /nfs/dbraw/zinc/02/91/33/892029133.db2.gz YKLLKIVDTYVWOY-CQSZACIVSA-N 0 0 406.719 4.429 20 5 HIBDRN COc1c(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cccc1[N+](=O)[O-] ZINC000477104973 892037639 /nfs/dbraw/zinc/03/76/39/892037639.db2.gz ZOSSDRXKPNIGFK-AWEZNQCLSA-N 0 0 410.455 4.175 20 5 HIBDRN Cc1cnc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000477160846 892081550 /nfs/dbraw/zinc/08/15/50/892081550.db2.gz YZIVIZXDTCOKJI-UHFFFAOYSA-N 0 0 405.454 4.015 20 5 HIBDRN CCn1c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc2cccnc21 ZINC000477192728 892115606 /nfs/dbraw/zinc/11/56/06/892115606.db2.gz VGNGWSOKEFQLMA-UHFFFAOYSA-N 0 0 417.425 4.191 20 5 HIBDRN CCOc1ccc([C@H](C)N[C@H](CCSC)c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000504912197 913646590 /nfs/dbraw/zinc/64/65/90/913646590.db2.gz RXFHHWSFSLBPKI-GOEBONIOSA-N 0 0 415.519 4.181 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000477345705 892314182 /nfs/dbraw/zinc/31/41/82/892314182.db2.gz DFKYTTUJZPBQGN-CHWSQXEVSA-N 0 0 417.487 4.178 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000477371768 892333603 /nfs/dbraw/zinc/33/36/03/892333603.db2.gz HQWKUSFKMACGIX-UHFFFAOYSA-N 0 0 423.450 4.460 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)CCCc3ccc(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000477372172 892333976 /nfs/dbraw/zinc/33/39/76/892333976.db2.gz JAEBJOBDBKYRET-UHFFFAOYSA-N 0 0 417.531 4.035 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000477379153 892340406 /nfs/dbraw/zinc/34/04/06/892340406.db2.gz IUEIUTRBDLFPLF-UHFFFAOYSA-N 0 0 419.485 4.305 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)CC(C)(C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000477380243 892341790 /nfs/dbraw/zinc/34/17/90/892341790.db2.gz PZDJTONVVRASIU-UHFFFAOYSA-N 0 0 411.502 4.010 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000504921066 913658341 /nfs/dbraw/zinc/65/83/41/913658341.db2.gz VGHWGBSREOHYIW-JTQLQIEISA-N 0 0 413.257 4.280 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000504921067 913659236 /nfs/dbraw/zinc/65/92/36/913659236.db2.gz VGHWGBSREOHYIW-SNVBAGLBSA-N 0 0 413.257 4.280 20 5 HIBDRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477466588 892439660 /nfs/dbraw/zinc/43/96/60/892439660.db2.gz MBWIDMXPQOSUAF-LBPRGKRZSA-N 0 0 409.255 4.176 20 5 HIBDRN COc1cc(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)cc([N+](=O)[O-])c1C ZINC000477470882 892446473 /nfs/dbraw/zinc/44/64/73/892446473.db2.gz VUZDUHZTYYDTFC-UHFFFAOYSA-N 0 0 408.458 4.047 20 5 HIBDRN COc1cc(OCC(=O)NCc2ccc(OC3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000504926438 913665448 /nfs/dbraw/zinc/66/54/48/913665448.db2.gz YRFWOKNLCHZEJB-UHFFFAOYSA-N 0 0 414.458 4.010 20 5 HIBDRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000504930032 913670470 /nfs/dbraw/zinc/67/04/70/913670470.db2.gz MLEYDMXRUNOZCR-MRXNPFEDSA-N 0 0 405.248 4.343 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc([N+](=O)[O-])c1C ZINC000477680891 892807861 /nfs/dbraw/zinc/80/78/61/892807861.db2.gz RORJIKDDHDHHLC-HXUWFJFHSA-N 0 0 411.845 4.480 20 5 HIBDRN CCN(C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000477713897 892822909 /nfs/dbraw/zinc/82/29/09/892822909.db2.gz HFLWDUATZJCPLO-AWEZNQCLSA-N 0 0 415.456 4.239 20 5 HIBDRN COC(=O)c1cnc(Sc2nnc(-c3cccc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000477723759 892827161 /nfs/dbraw/zinc/82/71/61/892827161.db2.gz NIDDTVSZFLRBCC-UHFFFAOYSA-N 0 0 408.395 4.131 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000477764839 892853051 /nfs/dbraw/zinc/85/30/51/892853051.db2.gz HQRNKWGMBIMGKP-GXTWGEPZSA-N 0 0 406.280 4.198 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000477794712 892870820 /nfs/dbraw/zinc/87/08/20/892870820.db2.gz OVLYRPQNSWFIMO-JTQLQIEISA-N 0 0 410.293 4.355 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(F)c(Br)cc1F ZINC000477794791 892870940 /nfs/dbraw/zinc/87/09/40/892870940.db2.gz QWJRCDJWBQUISD-UHFFFAOYSA-N 0 0 414.206 4.342 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000477795888 892872105 /nfs/dbraw/zinc/87/21/05/892872105.db2.gz WCPQAYHDFHPLBJ-MRVPVSSYSA-N 0 0 418.169 4.262 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000477803553 892877607 /nfs/dbraw/zinc/87/76/07/892877607.db2.gz SMWGHZISKNWYRH-WDEREUQCSA-N 0 0 410.293 4.110 20 5 HIBDRN COc1cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1OC ZINC000477809706 892881215 /nfs/dbraw/zinc/88/12/15/892881215.db2.gz GYOBJIHDYPADNZ-UHFFFAOYSA-N 0 0 404.850 4.285 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000477884634 892948119 /nfs/dbraw/zinc/94/81/19/892948119.db2.gz WMBVVDODJHARMO-INIZCTEOSA-N 0 0 405.401 4.192 20 5 HIBDRN COc1cc(C(=O)NCCc2nc3cc(Cl)ccc3s2)cc([N+](=O)[O-])c1C ZINC000477891190 892956642 /nfs/dbraw/zinc/95/66/42/892956642.db2.gz MTETVGJURVRGOU-UHFFFAOYSA-N 0 0 405.863 4.147 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(C)c(C)c3c2)cc1OC ZINC000477929422 893017824 /nfs/dbraw/zinc/01/78/24/893017824.db2.gz HTVFSCAUQMULJE-UHFFFAOYSA-N 0 0 414.414 4.244 20 5 HIBDRN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000477974652 893069381 /nfs/dbraw/zinc/06/93/81/893069381.db2.gz DFEWEAPVFUCTQN-UHFFFAOYSA-N 0 0 405.458 4.148 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000477976695 893071868 /nfs/dbraw/zinc/07/18/68/893071868.db2.gz JKQHDSRTOFMQFB-BULFRSBZSA-N 0 0 404.470 4.022 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000478002546 893105788 /nfs/dbraw/zinc/10/57/88/893105788.db2.gz LNENCSYSVBUMHC-MWLCHTKSSA-N 0 0 401.669 4.358 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000478058460 893216445 /nfs/dbraw/zinc/21/64/45/893216445.db2.gz FBYHESHMFSLDMP-UHFFFAOYSA-N 0 0 417.219 4.135 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 ZINC000478094899 893259280 /nfs/dbraw/zinc/25/92/80/893259280.db2.gz HNCGBDMBIDFULZ-UHFFFAOYSA-N 0 0 423.856 4.213 20 5 HIBDRN C[C@@H](CCC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)c1ccccc1 ZINC000478100023 893267824 /nfs/dbraw/zinc/26/78/24/893267824.db2.gz GMKNRIBBWBETGN-KRWDZBQOSA-N 0 0 421.501 4.094 20 5 HIBDRN C[C@H]1CC[C@@H](CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000478109716 893272935 /nfs/dbraw/zinc/27/29/35/893272935.db2.gz CJKNZZQTSBMMBS-UONOGXRCSA-N 0 0 413.440 4.382 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000478129153 893302053 /nfs/dbraw/zinc/30/20/53/893302053.db2.gz SOFSFZGNSHTMEC-UHFFFAOYSA-N 0 0 405.454 4.192 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000478166636 893334300 /nfs/dbraw/zinc/33/43/00/893334300.db2.gz GYSBXZGRCHTMCA-ZDUSSCGKSA-N 0 0 405.501 4.203 20 5 HIBDRN COCC[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccco1 ZINC000505017916 913759716 /nfs/dbraw/zinc/75/97/16/913759716.db2.gz CHTKNSFCGAHSAS-SOLBZPMBSA-N 0 0 415.490 4.178 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(Br)ccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000478213780 893374151 /nfs/dbraw/zinc/37/41/51/893374151.db2.gz VNUMMZYXHPZXBU-UHFFFAOYSA-N 0 0 420.263 4.218 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000478247764 893419763 /nfs/dbraw/zinc/41/97/63/893419763.db2.gz HJZXQVXIZYTNGQ-UHFFFAOYSA-N 0 0 410.257 4.311 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000478270931 893465420 /nfs/dbraw/zinc/46/54/20/893465420.db2.gz WURNBSDWGULQEV-XJKSGUPXSA-N 0 0 421.266 4.491 20 5 HIBDRN Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC000478282094 893487405 /nfs/dbraw/zinc/48/74/05/893487405.db2.gz VCCMXJLJTCMIFN-INIZCTEOSA-N 0 0 405.227 4.431 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000478316526 893541597 /nfs/dbraw/zinc/54/15/97/893541597.db2.gz SAXXONHRFUVXDI-NRFANRHFSA-N 0 0 416.861 4.065 20 5 HIBDRN CCOc1ccc(C(=O)NC[C@@H](C)CSc2ccccc2OC)cc1[N+](=O)[O-] ZINC000505049067 913790579 /nfs/dbraw/zinc/79/05/79/913790579.db2.gz SXIAXIUBCZOIQB-CQSZACIVSA-N 0 0 404.488 4.160 20 5 HIBDRN Cc1cc(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)ccc1[N+](=O)[O-] ZINC000478382796 893653975 /nfs/dbraw/zinc/65/39/75/893653975.db2.gz PLXQMEWUNJOHIV-UHFFFAOYSA-N 0 0 413.437 4.462 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000505066221 913802171 /nfs/dbraw/zinc/80/21/71/913802171.db2.gz LKGFYBUQGDYRIT-NRFANRHFSA-N 0 0 408.433 4.235 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000478458486 893779548 /nfs/dbraw/zinc/77/95/48/893779548.db2.gz FREIDKBSNSUUJS-OAHLLOKOSA-N 0 0 402.756 4.039 20 5 HIBDRN Cc1cc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000478468698 893797202 /nfs/dbraw/zinc/79/72/02/893797202.db2.gz PLJYGFZIJUXMQZ-HNNXBMFYSA-N 0 0 402.756 4.039 20 5 HIBDRN O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000478471646 893800474 /nfs/dbraw/zinc/80/04/74/893800474.db2.gz WIABYDIQLJFSJL-ZDUSSCGKSA-N 0 0 423.174 4.384 20 5 HIBDRN Cc1ccc(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000478495950 893812255 /nfs/dbraw/zinc/81/22/55/893812255.db2.gz YGFQWFGSZLEBES-CQSZACIVSA-N 0 0 402.756 4.039 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000478497084 893813163 /nfs/dbraw/zinc/81/31/63/893813163.db2.gz YWZZLXJWPOGLOT-MRXNPFEDSA-N 0 0 416.783 4.049 20 5 HIBDRN COCCSc1ccc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000478608722 893872249 /nfs/dbraw/zinc/87/22/49/893872249.db2.gz PMPAZCCUROJGNB-HNNXBMFYSA-N 0 0 403.504 4.202 20 5 HIBDRN CCc1cc(Br)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000478633429 893886908 /nfs/dbraw/zinc/88/69/08/893886908.db2.gz NEMHSOXHZSIQOV-UHFFFAOYSA-N 0 0 415.247 4.358 20 5 HIBDRN Cc1ccc(I)cc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000478651213 893895825 /nfs/dbraw/zinc/89/58/25/893895825.db2.gz TZEPXXQDPDXMGB-UHFFFAOYSA-N 0 0 421.194 4.241 20 5 HIBDRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000478684136 893937713 /nfs/dbraw/zinc/93/77/13/893937713.db2.gz AQMGUQIPYBNDRD-SFHVURJKSA-N 0 0 418.375 4.074 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1NC(=O)N(C)C ZINC000478706256 893969110 /nfs/dbraw/zinc/96/91/10/893969110.db2.gz ZLANYNIHCSEOBF-UHFFFAOYSA-N 0 0 414.465 4.336 20 5 HIBDRN COc1cc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2C)ccc1OC(C)C ZINC000478760877 894037429 /nfs/dbraw/zinc/03/74/29/894037429.db2.gz AXJPAPHVVDSSHE-HNNXBMFYSA-N 0 0 401.463 4.259 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)on1 ZINC000478775475 894051064 /nfs/dbraw/zinc/05/10/64/894051064.db2.gz VIBGQSIUCWFUDZ-UHFFFAOYSA-N 0 0 418.409 4.045 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1csc(-c2ccco2)n1 ZINC000478854179 894132694 /nfs/dbraw/zinc/13/26/94/894132694.db2.gz KYRRYFHANQNVGP-UHFFFAOYSA-N 0 0 407.835 4.050 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000478914543 894195181 /nfs/dbraw/zinc/19/51/81/894195181.db2.gz FZSWEXRBYQTWCR-UHFFFAOYSA-N 0 0 424.432 4.414 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccccc3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000478915904 894197183 /nfs/dbraw/zinc/19/71/83/894197183.db2.gz OHRGFUZKXLHGER-UHFFFAOYSA-N 0 0 412.490 4.471 20 5 HIBDRN CCCC(=O)Nc1ccc(Cl)c(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000478936583 894216129 /nfs/dbraw/zinc/21/61/29/894216129.db2.gz GIKDFPINQBWHCB-UHFFFAOYSA-N 0 0 420.853 4.046 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)cc2[N+](=O)[O-])CC1 ZINC000478989608 894262625 /nfs/dbraw/zinc/26/26/25/894262625.db2.gz WIQKHSCWODBQNB-UHFFFAOYSA-N 0 0 423.473 4.061 20 5 HIBDRN O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000479048857 894308213 /nfs/dbraw/zinc/30/82/13/894308213.db2.gz OPNJFHXASLHNIQ-UHFFFAOYSA-N 0 0 419.260 4.484 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000505168167 913857588 /nfs/dbraw/zinc/85/75/88/913857588.db2.gz ROBMGIXZAOSYKP-LJQANCHMSA-N 0 0 403.438 4.314 20 5 HIBDRN COC(=O)c1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cc1 ZINC000479101268 894365984 /nfs/dbraw/zinc/36/59/84/894365984.db2.gz GORFJGSYGBCYMP-AWEZNQCLSA-N 0 0 416.739 4.068 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1c(N2CCCC2)cccc1N1CCCC1 ZINC000479106532 894372710 /nfs/dbraw/zinc/37/27/10/894372710.db2.gz QIMDBTDVBPQELQ-UHFFFAOYSA-N 0 0 412.465 4.116 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1[N+](=O)[O-] ZINC000505188896 913871125 /nfs/dbraw/zinc/87/11/25/913871125.db2.gz GPKODMLCSRMXBF-ROUUACIJSA-N 0 0 402.472 4.251 20 5 HIBDRN CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)[nH]1 ZINC000479215758 894477665 /nfs/dbraw/zinc/47/76/65/894477665.db2.gz MMFQQDYPCKYQSC-UHFFFAOYSA-N 0 0 403.851 4.332 20 5 HIBDRN C[C@@H]1CCCCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000479270622 894544773 /nfs/dbraw/zinc/54/47/73/894544773.db2.gz VNTCUWSHCHRLPN-MRXNPFEDSA-N 0 0 409.486 4.154 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000479277817 894554165 /nfs/dbraw/zinc/55/41/65/894554165.db2.gz ZTGWJEMIPCDZSG-LJQANCHMSA-N 0 0 421.856 4.180 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(Oc2ncc(Br)cn2)cc1 ZINC000479313976 894601070 /nfs/dbraw/zinc/60/10/70/894601070.db2.gz HUPBRYBINVGJQR-UHFFFAOYSA-N 0 0 420.223 4.257 20 5 HIBDRN CCCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CCCc2cccnc21 ZINC000479354341 894651084 /nfs/dbraw/zinc/65/10/84/894651084.db2.gz BXNMTXFGGUNINQ-FQEVSTJZSA-N 0 0 405.458 4.105 20 5 HIBDRN CC(C)CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCc2cccnc21 ZINC000479354110 894651361 /nfs/dbraw/zinc/65/13/61/894651361.db2.gz DNVZLPMIGYZMNA-NRFANRHFSA-N 0 0 419.485 4.351 20 5 HIBDRN CC(=O)Nc1sc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)nc1-c1ccccc1 ZINC000479361409 894660008 /nfs/dbraw/zinc/66/00/08/894660008.db2.gz NFQPTJTZYRVTRC-UHFFFAOYSA-N 0 0 421.438 4.410 20 5 HIBDRN CCCN(C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000479365278 894664673 /nfs/dbraw/zinc/66/46/73/894664673.db2.gz YDGFQWHRGUBCOR-LJQANCHMSA-N 0 0 411.458 4.096 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000505219681 913890692 /nfs/dbraw/zinc/89/06/92/913890692.db2.gz SVVSUKACDXQOPS-VOQZNFBZSA-N 0 0 412.486 4.485 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cccc1Br ZINC000479373301 894675161 /nfs/dbraw/zinc/67/51/61/894675161.db2.gz JEIUCENHZLQICD-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN Cc1ccc(C)n1-c1nc(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000479407434 894714543 /nfs/dbraw/zinc/71/45/43/894714543.db2.gz KRDDBYAOGYYEGQ-UHFFFAOYSA-N 0 0 418.906 4.014 20 5 HIBDRN CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H]2CC)cc([N+](=O)[O-])c1 ZINC000479415149 894723777 /nfs/dbraw/zinc/72/37/77/894723777.db2.gz CPNDKSOAMOMSIY-PBGAUENZSA-N 0 0 401.507 4.116 20 5 HIBDRN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000505233056 913895942 /nfs/dbraw/zinc/89/59/42/913895942.db2.gz ZJERANKTHXHTMA-UHFFFAOYSA-N 0 0 423.391 4.032 20 5 HIBDRN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000479416105 894726521 /nfs/dbraw/zinc/72/65/21/894726521.db2.gz HLUGRQRASVRRLJ-INIZCTEOSA-N 0 0 414.483 4.115 20 5 HIBDRN CCOC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000505240549 913898984 /nfs/dbraw/zinc/89/89/84/913898984.db2.gz VCHVAIPIVJSVNU-INIZCTEOSA-N 0 0 414.458 4.284 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(Cl)c1Br ZINC000479455113 894774928 /nfs/dbraw/zinc/77/49/28/894774928.db2.gz MJXJSIVJAAWZAM-UHFFFAOYSA-N 0 0 414.643 4.070 20 5 HIBDRN CCc1ccc([C@@H](NCc2ncnn2-c2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000479464122 894785397 /nfs/dbraw/zinc/78/53/97/894785397.db2.gz KZUCEMGVGHMWAF-QFIPXVFZSA-N 0 0 403.442 4.210 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)Cc1ccc(OC)c(OC)c1 ZINC000479469403 894792682 /nfs/dbraw/zinc/79/26/82/894792682.db2.gz POIGJQJCOQNPBS-UHFFFAOYSA-N 0 0 404.488 4.386 20 5 HIBDRN O=C(Nc1ccc(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nc1)c1ccccc1 ZINC000479536461 894841075 /nfs/dbraw/zinc/84/10/75/894841075.db2.gz DYGFXBXHHCJTAH-QZTJIDSGSA-N 0 0 406.446 4.034 20 5 HIBDRN CCC[C@@](C)(O)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000479586878 894873534 /nfs/dbraw/zinc/87/35/34/894873534.db2.gz NKGBWENLAPUMTB-HXUWFJFHSA-N 0 0 422.865 4.330 20 5 HIBDRN O=C(NC[C@@H]1CCC2(CCCCC2)O1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000479588802 894874229 /nfs/dbraw/zinc/87/42/29/894874229.db2.gz HUCVHLIEXDTZLV-FQEVSTJZSA-N 0 0 417.506 4.030 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1cccc(O)c1)CC1CC1 ZINC000479615737 894886665 /nfs/dbraw/zinc/88/66/65/894886665.db2.gz SAJDJRJWXCIDLW-UHFFFAOYSA-N 0 0 409.467 4.476 20 5 HIBDRN COc1cc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc([N+](=O)[O-])c1C ZINC000479641325 894909805 /nfs/dbraw/zinc/90/98/05/894909805.db2.gz GWWAVFUCZZKHHT-MRXNPFEDSA-N 0 0 400.431 4.112 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000479706387 895002164 /nfs/dbraw/zinc/00/21/64/895002164.db2.gz LMERVUHOGGAKIJ-MRVPVSSYSA-N 0 0 404.776 4.115 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000479714798 895011071 /nfs/dbraw/zinc/01/10/71/895011071.db2.gz MUYSQWANNGNKHL-INIZCTEOSA-N 0 0 424.226 4.102 20 5 HIBDRN O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000479967081 895321743 /nfs/dbraw/zinc/32/17/43/895321743.db2.gz KIOSAHJSQHUHSE-UHFFFAOYSA-N 0 0 417.450 4.213 20 5 HIBDRN C[C@H](N[C@H](c1nccs1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479976731 895328987 /nfs/dbraw/zinc/32/89/87/895328987.db2.gz GICQZMMFMREULH-SJCJKPOMSA-N 0 0 416.890 4.411 20 5 HIBDRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505300422 913961670 /nfs/dbraw/zinc/96/16/70/913961670.db2.gz UISKBCGYBDEKNH-UHFFFAOYSA-N 0 0 416.441 4.477 20 5 HIBDRN COc1cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc([N+](=O)[O-])c1C ZINC000480031791 895381226 /nfs/dbraw/zinc/38/12/26/895381226.db2.gz RGVSYZUMVPZJFJ-KRWDZBQOSA-N 0 0 422.441 4.329 20 5 HIBDRN O=C(N[C@@H]1COc2ccccc2C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000480035152 895383605 /nfs/dbraw/zinc/38/36/05/895383605.db2.gz CHJPWNZAJGTZIN-INIZCTEOSA-N 0 0 406.463 4.480 20 5 HIBDRN O=C(N[C@H]1COc2ccccc2C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000480035153 895384010 /nfs/dbraw/zinc/38/40/10/895384010.db2.gz CHJPWNZAJGTZIN-MRXNPFEDSA-N 0 0 406.463 4.480 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000480041330 895389662 /nfs/dbraw/zinc/38/96/62/895389662.db2.gz YGZGBCVBSPEBCN-GOSISDBHSA-N 0 0 408.458 4.259 20 5 HIBDRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505306998 913967179 /nfs/dbraw/zinc/96/71/79/913967179.db2.gz ZIEPSNIKCFWYOP-UHFFFAOYSA-N 0 0 416.441 4.477 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000480064378 895414327 /nfs/dbraw/zinc/41/43/27/895414327.db2.gz YBPFTIXAQHLKGJ-KSFYIVLOSA-N 0 0 409.486 4.070 20 5 HIBDRN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000480072291 895423061 /nfs/dbraw/zinc/42/30/61/895423061.db2.gz KWGBWJPOQPCLJJ-ZUOKHONESA-N 0 0 415.877 4.107 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000480102672 895470725 /nfs/dbraw/zinc/47/07/25/895470725.db2.gz HDTIWHHZQPDXIJ-QMMMGPOBSA-N 0 0 404.776 4.115 20 5 HIBDRN COc1cc(OC)c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Cl ZINC000480128379 895502183 /nfs/dbraw/zinc/50/21/83/895502183.db2.gz ZOMXFTKBFUOYTI-UHFFFAOYSA-N 0 0 405.838 4.462 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000480161406 895549658 /nfs/dbraw/zinc/54/96/58/895549658.db2.gz RHUFBIKMSFKFSI-CYBMUJFWSA-N 0 0 404.488 4.079 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000480305620 895708675 /nfs/dbraw/zinc/70/86/75/895708675.db2.gz OSXZRNFZHZCBKM-UHFFFAOYSA-N 0 0 402.248 4.040 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 ZINC000480398607 895803511 /nfs/dbraw/zinc/80/35/11/895803511.db2.gz SKWBDXWCDKXIOX-LJQANCHMSA-N 0 0 420.469 4.300 20 5 HIBDRN COc1cc(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)cc([N+](=O)[O-])c1C ZINC000480503178 895872381 /nfs/dbraw/zinc/87/23/81/895872381.db2.gz RQRRHSHSYXIOPN-UHFFFAOYSA-N 0 0 409.442 4.381 20 5 HIBDRN O=C(c1ccc(C2CCC2)cc1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000480561118 895921879 /nfs/dbraw/zinc/92/18/79/895921879.db2.gz GUXNBKVFCHXGLA-UHFFFAOYSA-N 0 0 419.485 4.091 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(Cc2nc3cc(Br)ccc3[nH]2)C2CC2)c1 ZINC000480578518 895939113 /nfs/dbraw/zinc/93/91/13/895939113.db2.gz NSBZUKBHZCNZAA-UHFFFAOYSA-N 0 0 401.264 4.398 20 5 HIBDRN CCCc1c(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cnn1-c1cc(C)ccn1 ZINC000480581350 895941646 /nfs/dbraw/zinc/94/16/46/895941646.db2.gz OVWSIWRJFGDWLF-UHFFFAOYSA-N 0 0 409.446 4.006 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3cc(Cl)ccc3C2)c(C(F)(F)F)c1 ZINC000480682730 896046137 /nfs/dbraw/zinc/04/61/37/896046137.db2.gz OSOPQXBSXFYWTC-UHFFFAOYSA-N 0 0 420.796 4.014 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000480775051 896140770 /nfs/dbraw/zinc/14/07/70/896140770.db2.gz IWSZMNYMLSLREE-INIZCTEOSA-N 0 0 422.890 4.240 20 5 HIBDRN COC(=O)c1ccc(Cl)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480814937 896186426 /nfs/dbraw/zinc/18/64/26/896186426.db2.gz BPZRSGDZOUNEKS-UHFFFAOYSA-N 0 0 403.822 4.231 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000480834911 896208345 /nfs/dbraw/zinc/20/83/45/896208345.db2.gz VGGNMQQJHSQAML-UHFFFAOYSA-N 0 0 421.906 4.365 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCc2cc(Br)ccc2C1 ZINC000480837192 896211941 /nfs/dbraw/zinc/21/19/41/896211941.db2.gz JWUFPBWTIBMNPN-UHFFFAOYSA-N 0 0 401.216 4.302 20 5 HIBDRN CN(C(=O)c1cc(OCC(F)F)ccn1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000480864249 896227863 /nfs/dbraw/zinc/22/78/63/896227863.db2.gz LTHMJXTTXAYUSW-UHFFFAOYSA-N 0 0 420.397 4.034 20 5 HIBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC[C@@H](C2CC2)C1 ZINC000480871601 896234244 /nfs/dbraw/zinc/23/42/44/896234244.db2.gz CZLVNGQKQNRVDX-OAHLLOKOSA-N 0 0 411.424 4.089 20 5 HIBDRN COc1cccc(Cl)c1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000480912045 896270048 /nfs/dbraw/zinc/27/00/48/896270048.db2.gz QTDAMXAIFNEDEH-UHFFFAOYSA-N 0 0 406.869 4.133 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3ccc(C(=O)NC(C)C)cc3)n2)cc1[N+](=O)[O-] ZINC000505389218 914052818 /nfs/dbraw/zinc/05/28/18/914052818.db2.gz OZGVXZCHAOMLKQ-UHFFFAOYSA-N 0 0 424.482 4.417 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N[C@H]3CCO[C@@H](C(C)(C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000480985699 896320310 /nfs/dbraw/zinc/32/03/10/896320310.db2.gz SPFPEYNMZLOHAP-FXAWDEMLSA-N 0 0 403.523 4.155 20 5 HIBDRN C[C@@H](C(=O)N1CCc2cc(Br)ccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000480991685 896324747 /nfs/dbraw/zinc/32/47/47/896324747.db2.gz MTPCYOAJLJWXKN-LLVKDONJSA-N 0 0 407.239 4.185 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H](C)SC)cc1[N+](=O)[O-] ZINC000505399051 914064446 /nfs/dbraw/zinc/06/44/46/914064446.db2.gz BXUILKNWFWKBCU-LBPRGKRZSA-N 0 0 404.513 4.029 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1[N+](=O)[O-] ZINC000481098472 896421444 /nfs/dbraw/zinc/42/14/44/896421444.db2.gz AQSKVEGRDDOMMS-UHFFFAOYSA-N 0 0 419.485 4.273 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000481100353 896424124 /nfs/dbraw/zinc/42/41/24/896424124.db2.gz HHYQJKXDOUVPGF-CXAGYDPISA-N 0 0 420.412 4.176 20 5 HIBDRN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000481169025 896503733 /nfs/dbraw/zinc/50/37/33/896503733.db2.gz IKIDCUIKVLBLLD-HSZRJFAPSA-N 0 0 422.437 4.122 20 5 HIBDRN Cc1c(C(=O)N2CCOc3cc(Br)c(Cl)cc32)cccc1[N+](=O)[O-] ZINC000481201188 896554273 /nfs/dbraw/zinc/55/42/73/896554273.db2.gz JOOHFYRNAFTOKM-UHFFFAOYSA-N 0 0 411.639 4.358 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000481227737 896578139 /nfs/dbraw/zinc/57/81/39/896578139.db2.gz LITJDLHVYAROTC-HNNXBMFYSA-N 0 0 413.499 4.198 20 5 HIBDRN C[C@](O)(CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CCCCC1 ZINC000481333145 896694309 /nfs/dbraw/zinc/69/43/09/896694309.db2.gz RSZBASQXXZOGGB-QHCPKHFHSA-N 0 0 414.452 4.021 20 5 HIBDRN CCn1c(SCc2noc(Cc3ccccc3)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481357084 896732689 /nfs/dbraw/zinc/73/26/89/896732689.db2.gz FMJZJRBRZOPMOY-UHFFFAOYSA-N 0 0 422.470 4.139 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000481364720 896747516 /nfs/dbraw/zinc/74/75/16/896747516.db2.gz RGQLRBFSZDAEFX-UHFFFAOYSA-N 0 0 412.427 4.389 20 5 HIBDRN CC[C@@H](NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)c1nc(C(F)(F)F)cs1 ZINC000481373285 896765922 /nfs/dbraw/zinc/76/59/22/896765922.db2.gz NJMJLBYOVNOYMW-LLVKDONJSA-N 0 0 423.438 4.117 20 5 HIBDRN CCCN1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c2ccc(F)cc21 ZINC000481388692 896791572 /nfs/dbraw/zinc/79/15/72/896791572.db2.gz RZSVWGPCLZWCHP-UHFFFAOYSA-N 0 0 409.364 4.212 20 5 HIBDRN COc1cc(CN[C@@H](c2nc3ccccc3n2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000481423970 896826545 /nfs/dbraw/zinc/82/65/45/896826545.db2.gz LJLKNYNHQOOITD-JOCHJYFZSA-N 0 0 402.454 4.369 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000481459504 896853200 /nfs/dbraw/zinc/85/32/00/896853200.db2.gz MLNAUWRMJUEDLH-INIZCTEOSA-N 0 0 417.334 4.361 20 5 HIBDRN Cc1c(CNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cccc1[N+](=O)[O-] ZINC000481463227 896855216 /nfs/dbraw/zinc/85/52/16/896855216.db2.gz JAOYHZNJDLXUOK-UHFFFAOYSA-N 0 0 408.458 4.326 20 5 HIBDRN Cc1c(CNC(=O)[C@H](C)Sc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000481475342 896861674 /nfs/dbraw/zinc/86/16/74/896861674.db2.gz CRSDMDICZVBICR-LBPRGKRZSA-N 0 0 409.305 4.463 20 5 HIBDRN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000481525346 896888726 /nfs/dbraw/zinc/88/87/26/896888726.db2.gz CKKZAUDVSQGCMJ-UHFFFAOYSA-N 0 0 404.382 4.306 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000481553890 896923785 /nfs/dbraw/zinc/92/37/85/896923785.db2.gz FGCGKIDCYKKPBY-OAHLLOKOSA-N 0 0 411.336 4.040 20 5 HIBDRN COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)ccc1O ZINC000481565625 896942356 /nfs/dbraw/zinc/94/23/56/896942356.db2.gz CUGWBEBBDPUZOZ-UHFFFAOYSA-N 0 0 421.453 4.193 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCCCC[C@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000481588656 896968243 /nfs/dbraw/zinc/96/82/43/896968243.db2.gz YVIZIAHPWPNFJV-SFHVURJKSA-N 0 0 417.531 4.319 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cccc1[N+](=O)[O-] ZINC000481597308 896976532 /nfs/dbraw/zinc/97/65/32/896976532.db2.gz LWWJNTJISITTIB-HNNXBMFYSA-N 0 0 423.256 4.137 20 5 HIBDRN CCCOc1cc(NC(=O)N(C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCCC ZINC000481602633 896982712 /nfs/dbraw/zinc/98/27/12/896982712.db2.gz YCZKOKZHMRIWHP-YJBOKZPZSA-N 0 0 423.510 4.187 20 5 HIBDRN COc1cc(OC[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000481715091 897106288 /nfs/dbraw/zinc/10/62/88/897106288.db2.gz WLOQCPIVSMVNKX-DVECYGJZSA-N 0 0 423.465 4.458 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000481771231 897156560 /nfs/dbraw/zinc/15/65/60/897156560.db2.gz PXAZEFCIQKVHAF-KRWDZBQOSA-N 0 0 415.471 4.077 20 5 HIBDRN COc1ccc(-n2c(Sc3c([N+](=O)[O-])ncn3C)nnc2-c2ccc(C)cc2)cc1 ZINC000481816003 897189471 /nfs/dbraw/zinc/18/94/71/897189471.db2.gz NLZPPGUXKBBLKJ-UHFFFAOYSA-N 0 0 422.470 4.044 20 5 HIBDRN CCn1c(Sc2cnc3cc(F)c(F)cc3n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481834949 897202149 /nfs/dbraw/zinc/20/21/49/897202149.db2.gz CIJBXJFVLYOUBO-UHFFFAOYSA-N 0 0 414.397 4.246 20 5 HIBDRN CCn1c(Sc2ncnc3cc(F)c(F)cc32)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481836885 897204542 /nfs/dbraw/zinc/20/45/42/897204542.db2.gz IPDYGHALVHBCPR-UHFFFAOYSA-N 0 0 414.397 4.246 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CSc2nc3cc(Br)cnc3[nH]2)c(F)c1 ZINC000505466200 914137519 /nfs/dbraw/zinc/13/75/19/914137519.db2.gz DASXQYJNCACYBM-UHFFFAOYSA-N 0 0 401.192 4.199 20 5 HIBDRN COc1c(-c2nc(-c3cccc(Cn4nc(C)cc4C)c3)no2)cccc1[N+](=O)[O-] ZINC000481928720 897312216 /nfs/dbraw/zinc/31/22/16/897312216.db2.gz BCCAYWATYBKBLM-UHFFFAOYSA-N 0 0 405.414 4.182 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@H]1CO ZINC000481946029 897333855 /nfs/dbraw/zinc/33/38/55/897333855.db2.gz KTLRWYDDFKAINS-OCCSQVGLSA-N 0 0 406.891 4.100 20 5 HIBDRN CCOC(=O)Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n1 ZINC000481952463 897340715 /nfs/dbraw/zinc/34/07/15/897340715.db2.gz MWPORJUQCPFBFK-UHFFFAOYSA-N 0 0 423.516 4.157 20 5 HIBDRN Cc1ccn2c(=O)cc(COc3ccc(Cc4ccccc4)cc3[N+](=O)[O-])nc2c1 ZINC000481971460 897363546 /nfs/dbraw/zinc/36/35/46/897363546.db2.gz SSJCXSCXHGLRKV-UHFFFAOYSA-N 0 0 401.422 4.081 20 5 HIBDRN CCCn1c2ccccc2nc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000481977300 897370504 /nfs/dbraw/zinc/37/05/04/897370504.db2.gz ZUKWDFOTAROFEZ-UHFFFAOYSA-N 0 0 414.487 4.345 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)c2cccc(Br)c2)cc1OC(F)F ZINC000482006707 897405009 /nfs/dbraw/zinc/40/50/09/897405009.db2.gz HSOINSYFBRDSFQ-LBPRGKRZSA-N 0 0 403.179 4.104 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000482023110 897428458 /nfs/dbraw/zinc/42/84/58/897428458.db2.gz ATFHNTGVRCBWRY-UHFFFAOYSA-N 0 0 414.531 4.268 20 5 HIBDRN CCc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CCO2)cc1 ZINC000482045792 897467734 /nfs/dbraw/zinc/46/77/34/897467734.db2.gz SGKFTVRGQUZWNL-SFHVURJKSA-N 0 0 419.275 4.133 20 5 HIBDRN Cc1ccc(C)c(N2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000482058750 897486224 /nfs/dbraw/zinc/48/62/24/897486224.db2.gz CAEMQBKDBVLUDJ-UHFFFAOYSA-N 0 0 422.510 4.298 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1SC ZINC000482065050 897498158 /nfs/dbraw/zinc/49/81/58/897498158.db2.gz XQKFTCANINOCIW-AWEZNQCLSA-N 0 0 406.426 4.376 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000482068786 897504638 /nfs/dbraw/zinc/50/46/38/897504638.db2.gz PVCYXHUDSORAGJ-OAQYLSRUSA-N 0 0 421.478 4.183 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000482092493 897536009 /nfs/dbraw/zinc/53/60/09/897536009.db2.gz YXYPIRUPEPMZMV-UHFFFAOYSA-N 0 0 402.357 4.408 20 5 HIBDRN CCS[C@H](C)c1noc(CN(C)c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000482096099 897540492 /nfs/dbraw/zinc/54/04/92/897540492.db2.gz ODBHXAVAVWCMEX-CYBMUJFWSA-N 0 0 414.491 4.194 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000482130995 897589107 /nfs/dbraw/zinc/58/91/07/897589107.db2.gz VNZHBRBPTVDLTB-OPAMFIHVSA-N 0 0 416.543 4.455 20 5 HIBDRN C[C@H](O)[C@@](C)(CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000482179486 897647358 /nfs/dbraw/zinc/64/73/58/897647358.db2.gz JJIUNRRJRMTWAG-VBKZILBWSA-N 0 0 422.934 4.086 20 5 HIBDRN C[C@@H](O)[C@](C)(CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000482179487 897647751 /nfs/dbraw/zinc/64/77/51/897647751.db2.gz JJIUNRRJRMTWAG-VLIAUNLRSA-N 0 0 422.934 4.086 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000482192548 897664418 /nfs/dbraw/zinc/66/44/18/897664418.db2.gz LOVCZSUPGQAXBJ-KRWDZBQOSA-N 0 0 423.513 4.175 20 5 HIBDRN CCOc1cc(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000482205847 897685070 /nfs/dbraw/zinc/68/50/70/897685070.db2.gz GGJCRQCVWBXMCH-DGCLKSJQSA-N 0 0 404.385 4.101 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000482225952 897706045 /nfs/dbraw/zinc/70/60/45/897706045.db2.gz NALFJLBFBGNBBL-ZIAGYGMSSA-N 0 0 420.453 4.322 20 5 HIBDRN C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000482242197 897724298 /nfs/dbraw/zinc/72/42/98/897724298.db2.gz JSAXVGXOGZABHP-HSZRJFAPSA-N 0 0 404.470 4.266 20 5 HIBDRN O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000482243416 897726267 /nfs/dbraw/zinc/72/62/67/897726267.db2.gz LYOWWRWLBBMWIE-LLVKDONJSA-N 0 0 413.783 4.276 20 5 HIBDRN CCC[C@H](C)C(=O)NCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000482246339 897728081 /nfs/dbraw/zinc/72/80/81/897728081.db2.gz VGRXFPVWKRYXNT-HNNXBMFYSA-N 0 0 415.515 4.028 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(-c2ccncc2)cc1 ZINC000482304387 897801612 /nfs/dbraw/zinc/80/16/12/897801612.db2.gz SHAXXISTLIDMCM-MRXNPFEDSA-N 0 0 413.437 4.334 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000482327894 897830755 /nfs/dbraw/zinc/83/07/55/897830755.db2.gz GWEVUHLILLCYNA-UZUQRXQVSA-N 0 0 418.453 4.147 20 5 HIBDRN Cc1c(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cccc1[N+](=O)[O-] ZINC000482351116 897864917 /nfs/dbraw/zinc/86/49/17/897864917.db2.gz NRVGSNKNOMSEQI-UZUQRXQVSA-N 0 0 418.453 4.147 20 5 HIBDRN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000482405437 897948465 /nfs/dbraw/zinc/94/84/65/897948465.db2.gz PABOKKBLPRIBQE-MRXNPFEDSA-N 0 0 415.318 4.244 20 5 HIBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000482471317 898046031 /nfs/dbraw/zinc/04/60/31/898046031.db2.gz STFOBAVCXMJPGQ-LJQANCHMSA-N 0 0 406.360 4.275 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1F ZINC000482648145 898251752 /nfs/dbraw/zinc/25/17/52/898251752.db2.gz CZPRQFXJDOFOBR-UHFFFAOYSA-N 0 0 420.702 4.445 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc(Cl)c1F ZINC000482649188 898253197 /nfs/dbraw/zinc/25/31/97/898253197.db2.gz UMWODZCHWUPUKG-UHFFFAOYSA-N 0 0 420.702 4.445 20 5 HIBDRN CCc1c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cnn1C(CC)CC ZINC000482686531 898286725 /nfs/dbraw/zinc/28/67/25/898286725.db2.gz AWHOJKANOLLCGJ-UHFFFAOYSA-N 0 0 411.462 4.281 20 5 HIBDRN CCc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnn1-c1cccc(C)c1 ZINC000482686966 898287196 /nfs/dbraw/zinc/28/71/96/898287196.db2.gz XCMDTVAOVDQPNP-UHFFFAOYSA-N 0 0 416.441 4.089 20 5 HIBDRN Cc1cc(Br)c(O)c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000482693135 898292882 /nfs/dbraw/zinc/29/28/82/898292882.db2.gz LUQCPDWCMYDJRP-SNVBAGLBSA-N 0 0 411.277 4.491 20 5 HIBDRN CCc1c(NC(=O)CCOc2ccccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000482700770 898300228 /nfs/dbraw/zinc/30/02/28/898300228.db2.gz YHWNJNLADHINRA-UHFFFAOYSA-N 0 0 414.849 4.404 20 5 HIBDRN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000482712134 898311957 /nfs/dbraw/zinc/31/19/57/898311957.db2.gz YNYQFEPXWMMTEB-FQEVSTJZSA-N 0 0 407.470 4.499 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cnn(-c3cccc(C)c3)c2CC)cc([N+](=O)[O-])c1 ZINC000482717069 898318173 /nfs/dbraw/zinc/31/81/73/898318173.db2.gz KVUHOSQYAQORJA-UHFFFAOYSA-N 0 0 422.441 4.080 20 5 HIBDRN CCc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1cccc(C)c1 ZINC000482743498 898347757 /nfs/dbraw/zinc/34/77/57/898347757.db2.gz QIPPXWLMPHQYTQ-UHFFFAOYSA-N 0 0 416.441 4.089 20 5 HIBDRN CC[C@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])Oc1ccccc1F ZINC000482770896 898378649 /nfs/dbraw/zinc/37/86/49/898378649.db2.gz MDZXTWVNGUERHK-GFCCVEGCSA-N 0 0 408.451 4.052 20 5 HIBDRN Cc1nc(-c2ccc(C)c(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])c2)n[nH]1 ZINC000482809438 898420011 /nfs/dbraw/zinc/42/00/11/898420011.db2.gz CQOUCTLPXYOXLV-UHFFFAOYSA-N 0 0 415.837 4.058 20 5 HIBDRN CCCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000505551260 914253086 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Cc1c(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000484867844 900257202 /nfs/dbraw/zinc/25/72/02/900257202.db2.gz RUNILMDPFRRULV-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(OC(F)(F)F)cc1 ZINC000484873109 900260547 /nfs/dbraw/zinc/26/05/47/900260547.db2.gz LQZWVZRXAKABOR-NSHDSACASA-N 0 0 408.336 4.394 20 5 HIBDRN Cn1cc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000484878765 900266324 /nfs/dbraw/zinc/26/63/24/900266324.db2.gz JLZNIEMCYXCRKC-GOSISDBHSA-N 0 0 424.432 4.167 20 5 HIBDRN C[C@]1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])OCCc2sccc21 ZINC000484963029 900326352 /nfs/dbraw/zinc/32/63/52/900326352.db2.gz NJYCIRFJHQHPGP-QGZVFWFLSA-N 0 0 412.920 4.006 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)cc1 ZINC000485016048 900364285 /nfs/dbraw/zinc/36/42/85/900364285.db2.gz VTSXGQRZNOCRIX-KRWDZBQOSA-N 0 0 419.485 4.490 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cc3ccccc3o2)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000485093471 900404440 /nfs/dbraw/zinc/40/44/40/900404440.db2.gz JYKUHWOYPOAOTF-UHFFFAOYSA-N 0 0 417.303 4.397 20 5 HIBDRN O=[N+]([O-])c1cnc(NCc2nc(-c3ccc(Cl)cc3)no2)c(Br)c1 ZINC000485169323 900467726 /nfs/dbraw/zinc/46/77/26/900467726.db2.gz WOQOUHYOPHSNPY-UHFFFAOYSA-N 0 0 410.615 4.068 20 5 HIBDRN CCOc1cc(Br)c(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000485180102 900475078 /nfs/dbraw/zinc/47/50/78/900475078.db2.gz CYNQDNSYOBKAAE-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN Cc1cc(N2CCC3(CC2)OCCc2ccsc23)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485193890 900487755 /nfs/dbraw/zinc/48/77/55/900487755.db2.gz FCRHSDXDNDKQAB-UHFFFAOYSA-N 0 0 422.510 4.490 20 5 HIBDRN COc1ccc(CCNc2ncc([N+](=O)[O-])cc2Br)cc1OC(F)F ZINC000485203548 900495565 /nfs/dbraw/zinc/49/55/65/900495565.db2.gz IZYKVEYWEGETAH-UHFFFAOYSA-N 0 0 418.194 4.017 20 5 HIBDRN O=C(N[C@H]1CCOc2c(Cl)cccc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485223070 900509809 /nfs/dbraw/zinc/50/98/09/900509809.db2.gz LAVYXYZYZNBPEL-SFHVURJKSA-N 0 0 401.850 4.446 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000485261695 900546060 /nfs/dbraw/zinc/54/60/60/900546060.db2.gz YTJXWPXDRGLFNH-HXUWFJFHSA-N 0 0 410.401 4.049 20 5 HIBDRN CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccc(Br)cc1[N+](=O)[O-] ZINC000485264440 900547704 /nfs/dbraw/zinc/54/77/04/900547704.db2.gz HVWVKIGTJOWISO-JTQLQIEISA-N 0 0 413.297 4.254 20 5 HIBDRN O=C(CSc1ccc(Br)cc1[N+](=O)[O-])N1CCC(c2ccccc2)=N1 ZINC000485269322 900550263 /nfs/dbraw/zinc/55/02/63/900550263.db2.gz CZYJBLVTLFIUNA-UHFFFAOYSA-N 0 0 420.288 4.086 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC ZINC000485289275 900566502 /nfs/dbraw/zinc/56/65/02/900566502.db2.gz QDURCIYYQWFZDS-LLVKDONJSA-N 0 0 410.373 4.013 20 5 HIBDRN COc1cc(CS(=O)(=O)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccc1OC(F)F ZINC000485313443 900592412 /nfs/dbraw/zinc/59/24/12/900592412.db2.gz DKJNYVKXPPHNSX-LBPRGKRZSA-N 0 0 415.414 4.189 20 5 HIBDRN Cc1nccn1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000485346776 900638247 /nfs/dbraw/zinc/63/82/47/900638247.db2.gz FLOICPCDILRTKC-UHFFFAOYSA-N 0 0 410.499 4.461 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc4ccccn43)C2)nc1-c1ccc(F)cc1 ZINC000485394127 900690363 /nfs/dbraw/zinc/69/03/63/900690363.db2.gz FOXGFYMQMOOMFP-MRXNPFEDSA-N 0 0 418.432 4.223 20 5 HIBDRN CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485400405 900697608 /nfs/dbraw/zinc/69/76/08/900697608.db2.gz DEQGYLFBBQZADG-OAHLLOKOSA-N 0 0 414.481 4.173 20 5 HIBDRN CCS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cc1 ZINC000485412796 900711486 /nfs/dbraw/zinc/71/14/86/900711486.db2.gz XGXOLCJVBSFPFT-UHFFFAOYSA-N 0 0 415.446 4.202 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1ccccc1Cl ZINC000485413847 900712799 /nfs/dbraw/zinc/71/27/99/900712799.db2.gz YMZOMMKUVDZBAL-UHFFFAOYSA-N 0 0 414.824 4.291 20 5 HIBDRN CC(C)(C)OC(=O)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485421271 900720383 /nfs/dbraw/zinc/72/03/83/900720383.db2.gz ZMAQYVCYCQAEKN-UHFFFAOYSA-N 0 0 401.438 4.354 20 5 HIBDRN O=C(NCc1ccc(OCC(F)(F)F)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485437841 900735717 /nfs/dbraw/zinc/73/57/17/900735717.db2.gz KTKSERGSDLBSBP-UHFFFAOYSA-N 0 0 423.391 4.410 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485450996 900746008 /nfs/dbraw/zinc/74/60/08/900746008.db2.gz KWCHNISLVUKKEK-ZBFHGGJFSA-N 0 0 412.776 4.110 20 5 HIBDRN Cc1csc(C2(NC(=O)c3sc(Br)cc3[N+](=O)[O-])CCCC2)n1 ZINC000485472475 900767019 /nfs/dbraw/zinc/76/70/19/900767019.db2.gz CUNAXEMNXWNAAB-UHFFFAOYSA-N 0 0 416.322 4.383 20 5 HIBDRN CC(C)(SCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1 ZINC000485488840 900780520 /nfs/dbraw/zinc/78/05/20/900780520.db2.gz GGDNDTXLGVTWOO-UHFFFAOYSA-N 0 0 402.472 4.363 20 5 HIBDRN O=C(Nc1cnn(CC(F)(F)F)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485500473 900789329 /nfs/dbraw/zinc/78/93/29/900789329.db2.gz JWLRSYOQNBWKOU-UHFFFAOYSA-N 0 0 420.347 4.185 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000485507170 900794526 /nfs/dbraw/zinc/79/45/26/900794526.db2.gz QWKAPTWJDGTJNL-UHFFFAOYSA-N 0 0 423.376 4.169 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485509302 900796095 /nfs/dbraw/zinc/79/60/95/900796095.db2.gz ZPWHZLKASSPWJD-PBHICJAKSA-N 0 0 410.854 4.369 20 5 HIBDRN CCO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C12CCCCC2 ZINC000485535372 900813639 /nfs/dbraw/zinc/81/36/39/900813639.db2.gz BGWSHQBKHIKXGU-OALUTQOASA-N 0 0 422.547 4.191 20 5 HIBDRN O=C(Nc1cc(F)ccc1Br)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485544624 900819834 /nfs/dbraw/zinc/81/98/34/900819834.db2.gz NOSQVZOKOFABER-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1(c2cccnc2)CCCC1 ZINC000485559859 900832038 /nfs/dbraw/zinc/83/20/38/900832038.db2.gz OIOGUKRVRZTWAS-UHFFFAOYSA-N 0 0 422.407 4.049 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC000485563159 900834225 /nfs/dbraw/zinc/83/42/25/900834225.db2.gz RUPWUCSNBFGIRZ-MRXNPFEDSA-N 0 0 402.516 4.311 20 5 HIBDRN COc1cc(C(=O)N2CCc3c(C)cc(C)cc3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000485575079 900842325 /nfs/dbraw/zinc/84/23/25/900842325.db2.gz IKZOZDNRXNXOMM-UHFFFAOYSA-N 0 0 406.385 4.020 20 5 HIBDRN CCc1nn(C)c(CC)c1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000485578469 900844961 /nfs/dbraw/zinc/84/49/61/900844961.db2.gz FXXRSQYPZOIMAA-UHFFFAOYSA-N 0 0 413.503 4.066 20 5 HIBDRN CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000485602328 900862164 /nfs/dbraw/zinc/86/21/64/900862164.db2.gz UEQDJYWQLOVMDB-UHFFFAOYSA-N 0 0 407.829 4.073 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1[N+](=O)[O-] ZINC000485607964 900867049 /nfs/dbraw/zinc/86/70/49/900867049.db2.gz MPSARPJMBQDISO-UHFFFAOYSA-N 0 0 411.365 4.275 20 5 HIBDRN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000485614358 900872262 /nfs/dbraw/zinc/87/22/62/900872262.db2.gz KUXNHFYLNQXKFT-CYBMUJFWSA-N 0 0 417.181 4.433 20 5 HIBDRN C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc2ncsc2c1 ZINC000485641314 900892911 /nfs/dbraw/zinc/89/29/11/900892911.db2.gz GCFGBNBRYRAUKO-SECBINFHSA-N 0 0 406.261 4.458 20 5 HIBDRN Cn1ncc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1C(F)(F)F ZINC000485680709 900932947 /nfs/dbraw/zinc/93/29/47/900932947.db2.gz GWQTUPCRMQZWES-UHFFFAOYSA-N 0 0 420.347 4.178 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCO[C@@H](C3CC3)C2)cc1 ZINC000485720517 900970703 /nfs/dbraw/zinc/97/07/03/900970703.db2.gz OEYAPOAQDQAADR-JOCHJYFZSA-N 0 0 404.470 4.058 20 5 HIBDRN CSc1cccc(C(=O)Nc2cccc(I)c2)c1[N+](=O)[O-] ZINC000485736499 900988629 /nfs/dbraw/zinc/98/86/29/900988629.db2.gz IPKQOVANRHHFNT-UHFFFAOYSA-N 0 0 414.224 4.174 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000485738102 900992271 /nfs/dbraw/zinc/99/22/71/900992271.db2.gz ZAAOGZZALFKGSX-LLVKDONJSA-N 0 0 409.305 4.440 20 5 HIBDRN CN(C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000485740830 900994918 /nfs/dbraw/zinc/99/49/18/900994918.db2.gz YKSAVHUELTYADK-KBXCAEBGSA-N 0 0 422.268 4.084 20 5 HIBDRN COc1cc(C(=O)NCC(C)(C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000485750024 901005811 /nfs/dbraw/zinc/00/58/11/901005811.db2.gz IDRKDVUGCRZSKO-UHFFFAOYSA-N 0 0 412.364 4.052 20 5 HIBDRN CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485762223 901019232 /nfs/dbraw/zinc/01/92/32/901019232.db2.gz HJTFJVFSOKSYQI-IFMALSPDSA-N 0 0 412.486 4.497 20 5 HIBDRN CCO[C@H](C)c1nc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cs1 ZINC000485795111 901047629 /nfs/dbraw/zinc/04/76/29/901047629.db2.gz RXOFGSGVKWBROV-SNVBAGLBSA-N 0 0 415.418 4.022 20 5 HIBDRN O=C(NCc1ccc(-c2cccnc2)cc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000485909173 901137734 /nfs/dbraw/zinc/13/77/34/901137734.db2.gz UOZDXQCAABHKFX-UHFFFAOYSA-N 0 0 418.272 4.411 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000485925239 901150662 /nfs/dbraw/zinc/15/06/62/901150662.db2.gz LNBSRIOTNMOBGJ-SBHAEUEKSA-N 0 0 400.500 4.083 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cn1 ZINC000485938320 901159393 /nfs/dbraw/zinc/15/93/93/901159393.db2.gz VUMSGSINHPDLFM-UHFFFAOYSA-N 0 0 421.453 4.288 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2scc(C)c2Br)c(C)c([N+](=O)[O-])c1 ZINC000485941077 901161068 /nfs/dbraw/zinc/16/10/68/901161068.db2.gz NYPJKEDIPOAMAI-UHFFFAOYSA-N 0 0 413.249 4.075 20 5 HIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000485943532 901163983 /nfs/dbraw/zinc/16/39/83/901163983.db2.gz ICPOIMDCFGLOQR-UHFFFAOYSA-N 0 0 401.369 4.038 20 5 HIBDRN COC(=O)c1cc(NC(=O)Cc2cccc3ccc(OC)cc32)c(C)c([N+](=O)[O-])c1 ZINC000485956947 901174577 /nfs/dbraw/zinc/17/45/77/901174577.db2.gz NFGGCEWTUPYGDO-UHFFFAOYSA-N 0 0 408.410 4.033 20 5 HIBDRN CCOc1cccc(N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000485968153 901184243 /nfs/dbraw/zinc/18/42/43/901184243.db2.gz VGPOXADDZKHKAV-INIZCTEOSA-N 0 0 412.490 4.423 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000485975518 901192822 /nfs/dbraw/zinc/19/28/22/901192822.db2.gz HEXCEAWLRKLNIG-HXUWFJFHSA-N 0 0 412.442 4.329 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)c(C)c([N+](=O)[O-])c1 ZINC000485978935 901197197 /nfs/dbraw/zinc/19/71/97/901197197.db2.gz XHTLQIKWXIQWSN-UHFFFAOYSA-N 0 0 400.284 4.100 20 5 HIBDRN CCCCOc1ccc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1OC ZINC000485986073 901205601 /nfs/dbraw/zinc/20/56/01/901205601.db2.gz VCOXBCURISISOH-UHFFFAOYSA-N 0 0 416.430 4.130 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(NC(C)=O)c1 ZINC000485992657 901210245 /nfs/dbraw/zinc/21/02/45/901210245.db2.gz ZZHKARNUAZHLFJ-UHFFFAOYSA-N 0 0 423.878 4.197 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc(C(F)(F)F)c1 ZINC000486007266 901220297 /nfs/dbraw/zinc/22/02/97/901220297.db2.gz NWRDMNSOHBKNIO-UHFFFAOYSA-N 0 0 414.347 4.330 20 5 HIBDRN C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000486021477 901229073 /nfs/dbraw/zinc/22/90/73/901229073.db2.gz YIHSQPYNDFFROO-HZPDHXFCSA-N 0 0 424.501 4.031 20 5 HIBDRN O=c1c(Cl)c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cn12 ZINC000486028073 901232984 /nfs/dbraw/zinc/23/29/84/901232984.db2.gz JJSDIZSJNADTBW-GQCTYLIASA-N 0 0 406.623 4.189 20 5 HIBDRN Cn1c2cc(Br)ccc2nc1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000486057424 901252964 /nfs/dbraw/zinc/25/29/64/901252964.db2.gz XHYRMUYPOXXOLM-UHFFFAOYSA-N 0 0 412.247 4.156 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(C3CCN(c4ccc5cccc(O)c5n4)CC3)n2)c1 ZINC000486071529 901264074 /nfs/dbraw/zinc/26/40/74/901264074.db2.gz SKHBIHRGKFXJJX-UHFFFAOYSA-N 0 0 417.425 4.283 20 5 HIBDRN O=C(Nc1cccc2c1OCCC2=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486114671 901300330 /nfs/dbraw/zinc/30/03/30/901300330.db2.gz HXHHXUSYAIJPDT-UHFFFAOYSA-N 0 0 418.405 4.391 20 5 HIBDRN COc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1OC(C)C ZINC000486118114 901304605 /nfs/dbraw/zinc/30/46/05/901304605.db2.gz JAHWAUGXZHRZAO-UHFFFAOYSA-N 0 0 415.265 4.467 20 5 HIBDRN CCOc1cc(N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)ccc1[N+](=O)[O-] ZINC000486159324 901346583 /nfs/dbraw/zinc/34/65/83/901346583.db2.gz RPFQJYATWPHGJG-OAHLLOKOSA-N 0 0 421.519 4.197 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCNC(=O)CC1CCCCC1 ZINC000486163009 901350325 /nfs/dbraw/zinc/35/03/25/901350325.db2.gz FZZBASGGBJJZTN-UHFFFAOYSA-N 0 0 421.563 4.159 20 5 HIBDRN CN(CCc1cccc2ccccc21)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000486174769 901361589 /nfs/dbraw/zinc/36/15/89/901361589.db2.gz AIKBQDSQSRZOAR-UHFFFAOYSA-N 0 0 400.438 4.248 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)c1sc(Br)cc1[N+](=O)[O-])CCCC2 ZINC000486184453 901369704 /nfs/dbraw/zinc/36/97/04/901369704.db2.gz NHEDONQLXSNCPV-UHFFFAOYSA-N 0 0 411.277 4.411 20 5 HIBDRN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486214502 901397285 /nfs/dbraw/zinc/39/72/85/901397285.db2.gz ZLOABYXLSICDOV-SSDOTTSWSA-N 0 0 417.231 4.457 20 5 HIBDRN COc1cccc(NC2CCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)c1 ZINC000486223613 901406885 /nfs/dbraw/zinc/40/68/85/901406885.db2.gz JLSZWYFOFNFMDL-UHFFFAOYSA-N 0 0 401.488 4.042 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1[N+](=O)[O-] ZINC000486224046 901407312 /nfs/dbraw/zinc/40/73/12/901407312.db2.gz KOJPGNYJTQDTRE-ZDUSSCGKSA-N 0 0 405.451 4.299 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2CCc3c2cccc3Br)c1[N+](=O)[O-] ZINC000486231947 901414931 /nfs/dbraw/zinc/41/49/31/901414931.db2.gz SUTIGKDWSZZJHH-AWEZNQCLSA-N 0 0 407.289 4.497 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(N3CCSCC3)cc2C)c1[N+](=O)[O-] ZINC000486242472 901424933 /nfs/dbraw/zinc/42/49/33/901424933.db2.gz WILOSZXLJJXAMK-UHFFFAOYSA-N 0 0 403.529 4.431 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2CCOc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000486244652 901426702 /nfs/dbraw/zinc/42/67/02/901426702.db2.gz UOZJQVHVALURHD-ZDUSSCGKSA-N 0 0 423.288 4.333 20 5 HIBDRN O=C(CCCC(=O)c1ccc(Br)cc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000486245553 901428274 /nfs/dbraw/zinc/42/82/74/901428274.db2.gz ROWNYYNIZPGCBH-UHFFFAOYSA-N 0 0 419.275 4.069 20 5 HIBDRN CSc1cccc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)c1[N+](=O)[O-] ZINC000486253808 901438096 /nfs/dbraw/zinc/43/80/96/901438096.db2.gz SONVSLVSMUWUGN-UHFFFAOYSA-N 0 0 406.891 4.406 20 5 HIBDRN Cc1ccc(C)c(N2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000486256679 901440842 /nfs/dbraw/zinc/44/08/42/901440842.db2.gz XURAULSESZBTQG-QGZVFWFLSA-N 0 0 407.474 4.145 20 5 HIBDRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC000486257832 901440983 /nfs/dbraw/zinc/44/09/83/901440983.db2.gz ZUMVOPIBLHRUDB-QGZVFWFLSA-N 0 0 416.499 4.147 20 5 HIBDRN Cn1nc(C2CCCCC2)cc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486290390 901471929 /nfs/dbraw/zinc/47/19/29/901471929.db2.gz GMGBVBRXCKJYGP-UHFFFAOYSA-N 0 0 413.297 4.452 20 5 HIBDRN CSc1cccc(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000486399936 901562265 /nfs/dbraw/zinc/56/22/65/901562265.db2.gz CBDNYXOHLJESER-UHFFFAOYSA-N 0 0 400.378 4.488 20 5 HIBDRN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486414849 901573108 /nfs/dbraw/zinc/57/31/08/901573108.db2.gz GHQVTDFRIVNTGK-GOSISDBHSA-N 0 0 409.895 4.343 20 5 HIBDRN CSc1cccc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)c1[N+](=O)[O-] ZINC000486415158 901573752 /nfs/dbraw/zinc/57/37/52/901573752.db2.gz HROMNPCVPHWGTI-UHFFFAOYSA-N 0 0 408.426 4.031 20 5 HIBDRN Cc1cnc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c(Br)c1 ZINC000486415828 901574869 /nfs/dbraw/zinc/57/48/69/901574869.db2.gz JYHYQFPILURVTL-UHFFFAOYSA-N 0 0 421.070 4.137 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@@H](C2CCOCC2)C1 ZINC000486424967 901584119 /nfs/dbraw/zinc/58/41/19/901584119.db2.gz OUHDLZVTECGSEV-LJQANCHMSA-N 0 0 410.470 4.063 20 5 HIBDRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000486430304 901590383 /nfs/dbraw/zinc/59/03/83/901590383.db2.gz DZUGGJBCOMYNPV-SJKOYZFVSA-N 0 0 407.264 4.172 20 5 HIBDRN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486431521 901591636 /nfs/dbraw/zinc/59/16/36/901591636.db2.gz QWCHWNIJLMWFJK-UHFFFAOYSA-N 0 0 417.191 4.485 20 5 HIBDRN O=C(Nc1ccc(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1)c1ccco1 ZINC000486435442 901592979 /nfs/dbraw/zinc/59/29/79/901592979.db2.gz KDKVZEZRLBFCDS-UHFFFAOYSA-N 0 0 405.370 4.102 20 5 HIBDRN CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486437283 901595860 /nfs/dbraw/zinc/59/58/60/901595860.db2.gz SQARKALJYMVUBM-MRXNPFEDSA-N 0 0 402.472 4.083 20 5 HIBDRN CN(C)[C@H](CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 ZINC000486440955 901600121 /nfs/dbraw/zinc/60/01/21/901600121.db2.gz XNYMPLXXPRWSHT-LJQANCHMSA-N 0 0 411.483 4.372 20 5 HIBDRN CCOc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c1 ZINC000486469544 901631314 /nfs/dbraw/zinc/63/13/14/901631314.db2.gz CYRWJXVGYLWWNK-AWEZNQCLSA-N 0 0 404.488 4.223 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCOc2ccc(F)cc2C1 ZINC000486476156 901635783 /nfs/dbraw/zinc/63/57/83/901635783.db2.gz ZDRZWYIHUZTYTB-UHFFFAOYSA-N 0 0 407.270 4.182 20 5 HIBDRN Cc1noc2ncc(NC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cc12 ZINC000505909708 914552487 /nfs/dbraw/zinc/55/24/87/914552487.db2.gz NCJDMENEWOIQKO-CHWSQXEVSA-N 0 0 409.446 4.174 20 5 HIBDRN Cc1ccnc(-c2n[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])c(-c4ccccc4)n3)n2)c1 ZINC000486487079 901642752 /nfs/dbraw/zinc/64/27/52/901642752.db2.gz AQNIQQPTGZEDFV-AWEZNQCLSA-N 0 0 401.430 4.318 20 5 HIBDRN O=C(NCCc1cc(F)cc(F)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486537895 901688889 /nfs/dbraw/zinc/68/88/89/901688889.db2.gz UVALSTPVESVYPC-UHFFFAOYSA-N 0 0 412.392 4.425 20 5 HIBDRN Cc1cccc(OC(F)F)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000486608075 901743781 /nfs/dbraw/zinc/74/37/81/901743781.db2.gz VPFXKGLMPFJTHS-UHFFFAOYSA-N 0 0 405.401 4.360 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCN(C2CC2)c2cc(Cl)ccc21 ZINC000486614841 901750225 /nfs/dbraw/zinc/75/02/25/901750225.db2.gz AONPZBSYTJKBNO-UHFFFAOYSA-N 0 0 423.860 4.063 20 5 HIBDRN O=C(C[C@@H]1CCCCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000486631929 901764724 /nfs/dbraw/zinc/76/47/24/901764724.db2.gz YIULBRDLJHNNIJ-ZDUSSCGKSA-N 0 0 406.385 4.053 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)cs1 ZINC000486661419 901781754 /nfs/dbraw/zinc/78/17/54/901781754.db2.gz XFXXNDHXKKWAFV-UHFFFAOYSA-N 0 0 412.475 4.092 20 5 HIBDRN COc1cc(C(=O)NCC2(c3ccc(F)cc3F)CCCC2)c([N+](=O)[O-])cc1OC ZINC000486664035 901782986 /nfs/dbraw/zinc/78/29/86/901782986.db2.gz LAJGRYOJGULGOO-UHFFFAOYSA-N 0 0 420.412 4.132 20 5 HIBDRN Cn1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C2CCCCC2)n1 ZINC000486683535 901794216 /nfs/dbraw/zinc/79/42/16/901794216.db2.gz KVWBKGGHVFQQHU-UHFFFAOYSA-N 0 0 410.396 4.325 20 5 HIBDRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000486708169 901805479 /nfs/dbraw/zinc/80/54/79/901805479.db2.gz OACXPUDTVMKIJD-WBVHZDCISA-N 0 0 424.375 4.051 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000486709299 901805613 /nfs/dbraw/zinc/80/56/13/901805613.db2.gz QWBDNLZESZSQND-DZGCQCFKSA-N 0 0 400.303 4.312 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000486716716 901810577 /nfs/dbraw/zinc/81/05/77/901810577.db2.gz KTALIHRQVZGSRP-ZIAGYGMSSA-N 0 0 400.303 4.312 20 5 HIBDRN C[C@H](Oc1ccccc1Cl)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486739079 901822824 /nfs/dbraw/zinc/82/28/24/901822824.db2.gz SDWWEKKSBQBTPH-JTQLQIEISA-N 0 0 402.756 4.351 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000486780104 901848634 /nfs/dbraw/zinc/84/86/34/901848634.db2.gz OZXPUWRCWJFODI-ZDUSSCGKSA-N 0 0 424.844 4.387 20 5 HIBDRN COc1cc(CNCc2ccnc(Oc3ccccc3F)c2)c([N+](=O)[O-])cc1OC ZINC000486791639 901856038 /nfs/dbraw/zinc/85/60/38/901856038.db2.gz OAJOREKABXIDLU-UHFFFAOYSA-N 0 0 413.405 4.228 20 5 HIBDRN Cc1c(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cccc1[N+](=O)[O-] ZINC000486798731 901860601 /nfs/dbraw/zinc/86/06/01/901860601.db2.gz SQOHPMCXBUUUIV-OAHLLOKOSA-N 0 0 404.426 4.042 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@@H]2CCc3c2cccc3Cl)c(C)c([N+](=O)[O-])c1 ZINC000486857424 901902174 /nfs/dbraw/zinc/90/21/74/901902174.db2.gz LPKDZEPGDIALNA-OAHLLOKOSA-N 0 0 403.822 4.152 20 5 HIBDRN Cc1cc(C)n(CCCNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000486856997 901902265 /nfs/dbraw/zinc/90/22/65/901902265.db2.gz PFKSWFLCYHRBCF-UHFFFAOYSA-N 0 0 410.499 4.379 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)c(C)c([N+](=O)[O-])c1 ZINC000486860827 901905557 /nfs/dbraw/zinc/90/55/57/901905557.db2.gz WQVNYZFKFDNUDV-GFCCVEGCSA-N 0 0 419.865 4.438 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCCC[C@@H]2Cc2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000486874177 901919574 /nfs/dbraw/zinc/91/95/74/901919574.db2.gz MMKGBHZOHPBURO-GOSISDBHSA-N 0 0 411.458 4.319 20 5 HIBDRN O=[N+]([O-])c1sc(N[C@@H]2CCOC3(CCC3)C2)nc1N[C@H]1CCOC2(CCC2)C1 ZINC000486904288 901950789 /nfs/dbraw/zinc/95/07/89/901950789.db2.gz KVDZMWQHDOGDHG-UONOGXRCSA-N 0 0 408.524 4.079 20 5 HIBDRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000486991806 902005643 /nfs/dbraw/zinc/00/56/43/902005643.db2.gz BRGSBQFDDPAHEI-LBPRGKRZSA-N 0 0 411.289 4.140 20 5 HIBDRN O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487004216 902009346 /nfs/dbraw/zinc/00/93/46/902009346.db2.gz YLBQUCFFTAZVFS-UHFFFAOYSA-N 0 0 412.396 4.214 20 5 HIBDRN CCOc1ccccc1-c1cccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000487004432 902009674 /nfs/dbraw/zinc/00/96/74/902009674.db2.gz CVWSZDUHXMTQPR-UHFFFAOYSA-N 0 0 420.469 4.334 20 5 HIBDRN O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487026600 902024508 /nfs/dbraw/zinc/02/45/08/902024508.db2.gz AXULHYSUNDJLCS-OAQYLSRUSA-N 0 0 418.497 4.371 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCOc2ccc(F)cc21 ZINC000487031878 902029282 /nfs/dbraw/zinc/02/92/82/902029282.db2.gz QCEFTKJVFKBJCC-MRXNPFEDSA-N 0 0 407.829 4.143 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000487094007 902054831 /nfs/dbraw/zinc/05/48/31/902054831.db2.gz CURBTGBDKRKJBG-OAQYLSRUSA-N 0 0 410.495 4.041 20 5 HIBDRN O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000487325460 902153499 /nfs/dbraw/zinc/15/34/99/902153499.db2.gz RUHXQLSAHSZFOR-UHFFFAOYSA-N 0 0 423.429 4.219 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ncc(Cc2cccc(F)c2)s1 ZINC000487392903 902177562 /nfs/dbraw/zinc/17/75/62/902177562.db2.gz VLYKAPYXAIJGBO-UHFFFAOYSA-N 0 0 400.435 4.222 20 5 HIBDRN COc1cc(SC)ccc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000487451647 902215410 /nfs/dbraw/zinc/21/54/10/902215410.db2.gz ZLRAPRLNCFXADJ-UHFFFAOYSA-N 0 0 414.386 4.188 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000487451370 902215418 /nfs/dbraw/zinc/21/54/18/902215418.db2.gz SOEZVQHIDWRSHK-UHFFFAOYSA-N 0 0 401.488 4.406 20 5 HIBDRN Cc1nc(NC(=O)Cc2cccc([N+](=O)[O-])c2)sc1Cc1c(F)cccc1F ZINC000487603709 902251470 /nfs/dbraw/zinc/25/14/70/902251470.db2.gz FIQGEVQYWRZCCR-UHFFFAOYSA-N 0 0 403.410 4.410 20 5 HIBDRN CN(Cc1ccc([S@](C)=O)cc1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000487616488 902252671 /nfs/dbraw/zinc/25/26/71/902252671.db2.gz HXFJWWYQIKKNMS-LJAQVGFWSA-N 0 0 408.479 4.200 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(NC[C@@H](CO)c3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000487674625 902284806 /nfs/dbraw/zinc/28/48/06/902284806.db2.gz KJNVQLUCYSYIOE-IBGZPJMESA-N 0 0 405.454 4.344 20 5 HIBDRN Cc1sc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)nc1-c1ccc(C)cc1 ZINC000487703734 902301430 /nfs/dbraw/zinc/30/14/30/902301430.db2.gz XBGWPMVCRVJSGF-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1CN(c1nccs1)S(=O)(=O)c1ccccc1 ZINC000487719340 902315493 /nfs/dbraw/zinc/31/54/93/902315493.db2.gz IWURJFHMBIAMRG-UHFFFAOYSA-N 0 0 409.876 4.100 20 5 HIBDRN Cc1nnc(Sc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)c(C)c2)s1 ZINC000487733966 902327837 /nfs/dbraw/zinc/32/78/37/902327837.db2.gz BSOJKMXEADNKOG-UHFFFAOYSA-N 0 0 401.473 4.049 20 5 HIBDRN O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487752945 902341725 /nfs/dbraw/zinc/34/17/25/902341725.db2.gz DLLCFGXYQZEOQD-CYBMUJFWSA-N 0 0 424.682 4.019 20 5 HIBDRN CC[C@@H](NC(=O)c1cc(OC)c(Br)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000487863136 902413245 /nfs/dbraw/zinc/41/32/45/902413245.db2.gz WXQUQGBGIBPCQF-CQSZACIVSA-N 0 0 423.263 4.256 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1 ZINC000487878813 902422966 /nfs/dbraw/zinc/42/29/66/902422966.db2.gz VTVYRGKMKRGPIE-UHFFFAOYSA-N 0 0 402.472 4.410 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(N2CCCCC2)nc1 ZINC000487880021 902423099 /nfs/dbraw/zinc/42/30/99/902423099.db2.gz RKINATIVBDGJED-UHFFFAOYSA-N 0 0 423.395 4.321 20 5 HIBDRN O=C(CCCn1cc([N+](=O)[O-])c(=O)c2ccccc21)c1ccc(Br)cc1 ZINC000487887110 902429461 /nfs/dbraw/zinc/42/94/61/902429461.db2.gz KCOUNILPHMZMLX-UHFFFAOYSA-N 0 0 415.243 4.335 20 5 HIBDRN O=c1c2ccccc2n(CC[S@](=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000487889034 902431533 /nfs/dbraw/zinc/43/15/33/902431533.db2.gz ROZSCQBJJXFZGX-SANMLTNESA-N 0 0 411.266 4.024 20 5 HIBDRN O=c1c2ccccc2n(CC[S@@](=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000487889033 902431632 /nfs/dbraw/zinc/43/16/32/902431632.db2.gz ROZSCQBJJXFZGX-AREMUKBSSA-N 0 0 411.266 4.024 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)Nc1ccccc1Cc1ccccc1 ZINC000487904904 902441085 /nfs/dbraw/zinc/44/10/85/902441085.db2.gz GXPGKBSEAMBTRL-UHFFFAOYSA-N 0 0 413.433 4.139 20 5 HIBDRN O=C(N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1)C12CC3CC(CC(C3)C1)C2 ZINC000487917490 902448865 /nfs/dbraw/zinc/44/88/65/902448865.db2.gz TXMKPQZDTQAHNF-UHFFFAOYSA-N 0 0 420.513 4.008 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000487948961 902477570 /nfs/dbraw/zinc/47/75/70/902477570.db2.gz QGPVNPZQWKKJBB-CQSZACIVSA-N 0 0 424.526 4.457 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000487990779 902514249 /nfs/dbraw/zinc/51/42/49/902514249.db2.gz TXKPNAZUBUKBDU-GFCCVEGCSA-N 0 0 406.364 4.149 20 5 HIBDRN CC(C)(NC(=O)NCc1ccc(OCC(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000488021031 902539129 /nfs/dbraw/zinc/53/91/29/902539129.db2.gz CWOBNTXSTNVSRY-UHFFFAOYSA-N 0 0 411.380 4.270 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000488037788 902555675 /nfs/dbraw/zinc/55/56/75/902555675.db2.gz GYXIJEPFYJGNTA-INIZCTEOSA-N 0 0 415.453 4.187 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)CCC(=O)CCC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000488042095 902557167 /nfs/dbraw/zinc/55/71/67/902557167.db2.gz JPJIYPVYYFDYCT-AWEZNQCLSA-N 0 0 402.472 4.154 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NCc3ccc([N+](=O)[O-])c(OC)c3)cc2)cc1 ZINC000488056484 902571338 /nfs/dbraw/zinc/57/13/38/902571338.db2.gz LUIAOTWTBWPXTQ-UHFFFAOYSA-N 0 0 407.426 4.476 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000488058328 902573317 /nfs/dbraw/zinc/57/33/17/902573317.db2.gz PXFZTBOQOFIRFL-VQSBYGRUSA-N 0 0 415.534 4.336 20 5 HIBDRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000488071747 902581824 /nfs/dbraw/zinc/58/18/24/902581824.db2.gz SSRDCMUCIFQIFJ-PXAZEXFGSA-N 0 0 420.453 4.273 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)cc1[N+](=O)[O-] ZINC000488075205 902583843 /nfs/dbraw/zinc/58/38/43/902583843.db2.gz CHMZFFRVQWKION-NSHDSACASA-N 0 0 415.343 4.068 20 5 HIBDRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000488090165 902594490 /nfs/dbraw/zinc/59/44/90/902594490.db2.gz KNGMJTIVCWZOBO-CVEARBPZSA-N 0 0 415.515 4.149 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000488096471 902600251 /nfs/dbraw/zinc/60/02/51/902600251.db2.gz SVAHWPRXBCEZFX-INIZCTEOSA-N 0 0 405.454 4.054 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000488154225 902649156 /nfs/dbraw/zinc/64/91/56/902649156.db2.gz DZYMQEPLMTUZFF-KRWDZBQOSA-N 0 0 419.890 4.019 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1COC1CCOCC1 ZINC000488213975 902694579 /nfs/dbraw/zinc/69/45/79/902694579.db2.gz IXBFAQOJCODETL-UHFFFAOYSA-N 0 0 412.486 4.043 20 5 HIBDRN CCCCOc1ccc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000488216021 902697909 /nfs/dbraw/zinc/69/79/09/902697909.db2.gz HGBUXIPVHJANIJ-UHFFFAOYSA-N 0 0 412.439 4.031 20 5 HIBDRN Cc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1C(C)C ZINC000488254993 902728828 /nfs/dbraw/zinc/72/88/28/902728828.db2.gz YUNRJVAABSHBDA-SECBINFHSA-N 0 0 417.413 4.214 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2cc(-c3ccsc3)nn2C)cc1[N+](=O)[O-] ZINC000488257811 902730210 /nfs/dbraw/zinc/73/02/10/902730210.db2.gz CXEZIKUQTICXLL-UHFFFAOYSA-N 0 0 421.276 4.380 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000488344005 902777703 /nfs/dbraw/zinc/77/77/03/902777703.db2.gz KRMDOENWLODQMW-UHFFFAOYSA-N 0 0 410.474 4.098 20 5 HIBDRN CCc1n[nH]c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)c1[N+](=O)[O-] ZINC000488435316 902825672 /nfs/dbraw/zinc/82/56/72/902825672.db2.gz VEQBRUZXUZZJAC-UHFFFAOYSA-N 0 0 402.813 4.270 20 5 HIBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCOC)c1ccc(OC)cc1 ZINC000488448360 902829601 /nfs/dbraw/zinc/82/96/01/902829601.db2.gz ARXXFFGTXVOADV-SFHVURJKSA-N 0 0 404.488 4.223 20 5 HIBDRN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000488449300 902830814 /nfs/dbraw/zinc/83/08/14/902830814.db2.gz GTKUNVKUBANWMW-UHFFFAOYSA-N 0 0 419.363 4.118 20 5 HIBDRN COc1ccc([C@H](NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)C(F)(F)F)cc1 ZINC000505995799 914664943 /nfs/dbraw/zinc/66/49/43/914664943.db2.gz FJIIJYKPDAUAAZ-SFHVURJKSA-N 0 0 411.380 4.134 20 5 HIBDRN Cn1c2ccccc2cc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c1=O ZINC000488672739 902933842 /nfs/dbraw/zinc/93/38/42/902933842.db2.gz HNSSCBRAMMZUOJ-UHFFFAOYSA-N 0 0 416.437 4.033 20 5 HIBDRN C[C@@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000488758433 902981914 /nfs/dbraw/zinc/98/19/14/902981914.db2.gz JFNYTDOLWXIZGI-SNVBAGLBSA-N 0 0 403.307 4.431 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2nnc(Cc3cccs3)o2)cccc1[N+](=O)[O-] ZINC000488847108 903040141 /nfs/dbraw/zinc/04/01/41/903040141.db2.gz XWACCIRSMKGMEN-NSHDSACASA-N 0 0 404.473 4.058 20 5 HIBDRN COCC1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000488924733 903079385 /nfs/dbraw/zinc/07/93/85/903079385.db2.gz PIVVJEJVYDEREF-UHFFFAOYSA-N 0 0 417.893 4.359 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(c1nccs1)c1ccc(F)c(Cl)c1 ZINC000489005080 903115537 /nfs/dbraw/zinc/11/55/37/903115537.db2.gz QUQMFKSSCNPVHU-UHFFFAOYSA-N 0 0 409.830 4.104 20 5 HIBDRN O=[N+]([O-])c1ccn(C2CCN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)n1 ZINC000489006792 903117403 /nfs/dbraw/zinc/11/74/03/903117403.db2.gz FWZRIWBSIHJPAB-UHFFFAOYSA-N 0 0 421.379 4.302 20 5 HIBDRN C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489020199 903126099 /nfs/dbraw/zinc/12/60/99/903126099.db2.gz XKFRAHFXRPZPOD-CYBMUJFWSA-N 0 0 401.854 4.498 20 5 HIBDRN O=[N+]([O-])c1ccn(C2CCN(Cc3nc(-c4c(F)cccc4F)cs3)CC2)n1 ZINC000489029708 903134339 /nfs/dbraw/zinc/13/43/39/903134339.db2.gz UHDHNRHMMYTILB-UHFFFAOYSA-N 0 0 405.430 4.030 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CCOC4(CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000489079256 903181558 /nfs/dbraw/zinc/18/15/58/903181558.db2.gz RTDAJUMVRNGMEA-SCTDSRPQSA-N 0 0 415.534 4.299 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000489093973 903192073 /nfs/dbraw/zinc/19/20/73/903192073.db2.gz XHFSDVFFUNNQMQ-KDOFPFPSSA-N 0 0 411.458 4.408 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000489103384 903197650 /nfs/dbraw/zinc/19/76/50/903197650.db2.gz ZUWMCWHPADGISN-UHFFFAOYSA-N 0 0 412.870 4.398 20 5 HIBDRN O=C(Nc1ccccc1COCc1ccccc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489178592 903245714 /nfs/dbraw/zinc/24/57/14/903245714.db2.gz WVKFNYOPUFBKRD-UHFFFAOYSA-N 0 0 406.394 4.293 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[N+](=O)[O-] ZINC000489273136 903300127 /nfs/dbraw/zinc/30/01/27/903300127.db2.gz XVTIRXDBGAZNPC-LHSJRXKWSA-N 0 0 411.458 4.186 20 5 HIBDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000489309394 903323707 /nfs/dbraw/zinc/32/37/07/903323707.db2.gz YTTDXXIXQAJJST-UHFFFAOYSA-N 0 0 408.892 4.441 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 ZINC000489390207 903361506 /nfs/dbraw/zinc/36/15/06/903361506.db2.gz PQCQHVPLJGFWJM-UHFFFAOYSA-N 0 0 413.499 4.470 20 5 HIBDRN CCOc1ccc(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)cc1 ZINC000489417628 903374244 /nfs/dbraw/zinc/37/42/44/903374244.db2.gz ZIVCZKMJQGWTGR-UHFFFAOYSA-N 0 0 412.471 4.247 20 5 HIBDRN Cc1ccc([C@H](OC[C@@H](O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)c2ccccc2)cc1 ZINC000489418601 903375958 /nfs/dbraw/zinc/37/59/58/903375958.db2.gz NMRHQGCGIUXXME-NZQKXSOJSA-N 0 0 407.470 4.144 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1cccc(C(F)(F)F)n1 ZINC000489418785 903376188 /nfs/dbraw/zinc/37/61/88/903376188.db2.gz QIDRNZWCENBRSH-UHFFFAOYSA-N 0 0 419.812 4.113 20 5 HIBDRN Cc1cc(N2CCCCCC2)ccc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000489436900 903382942 /nfs/dbraw/zinc/38/29/42/903382942.db2.gz YDNACWDWWTZSOG-UHFFFAOYSA-N 0 0 422.489 4.482 20 5 HIBDRN O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489505380 903428838 /nfs/dbraw/zinc/42/88/38/903428838.db2.gz GJGXMZQRAPBYSZ-UHFFFAOYSA-N 0 0 410.283 4.117 20 5 HIBDRN CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000489629399 903506689 /nfs/dbraw/zinc/50/66/89/903506689.db2.gz JZFOZGSGCXYJCS-UHFFFAOYSA-N 0 0 421.251 4.059 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(F)cc1 ZINC000489681195 903541021 /nfs/dbraw/zinc/54/10/21/903541021.db2.gz NTIBQUXHIQKLLZ-GFCCVEGCSA-N 0 0 415.450 4.132 20 5 HIBDRN Cn1cc(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489692613 903542755 /nfs/dbraw/zinc/54/27/55/903542755.db2.gz SRNIUOLQBJIMJU-UHFFFAOYSA-N 0 0 404.426 4.230 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000489740418 903569284 /nfs/dbraw/zinc/56/92/84/903569284.db2.gz MCXPUOPELAXUHE-HNNXBMFYSA-N 0 0 422.485 4.379 20 5 HIBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000489867155 903639812 /nfs/dbraw/zinc/63/98/12/903639812.db2.gz ARYXVTVGIFQMRE-CQSZACIVSA-N 0 0 407.392 4.133 20 5 HIBDRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489877721 903647859 /nfs/dbraw/zinc/64/78/59/903647859.db2.gz ZSVSZDMYDAOKTH-UHFFFAOYSA-N 0 0 419.268 4.283 20 5 HIBDRN CC(C)(NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000489902117 903661141 /nfs/dbraw/zinc/66/11/41/903661141.db2.gz YWVCVPQGSSDCSI-FQEVSTJZSA-N 0 0 408.433 4.453 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489944229 903690924 /nfs/dbraw/zinc/69/09/24/903690924.db2.gz XRNSOLPPEQXMRL-UHFFFAOYSA-N 0 0 405.410 4.048 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000489984346 903712892 /nfs/dbraw/zinc/71/28/92/903712892.db2.gz WGXOVDIPMMCJAP-LJQANCHMSA-N 0 0 400.500 4.084 20 5 HIBDRN CCCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490006868 903721511 /nfs/dbraw/zinc/72/15/11/903721511.db2.gz NPOOMJHYMZAXHG-KRWDZBQOSA-N 0 0 422.485 4.124 20 5 HIBDRN COC[C@H](c1ccc(Cl)cc1)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000490065201 903755257 /nfs/dbraw/zinc/75/52/57/903755257.db2.gz RRSZSHZFEXHEMD-QGZVFWFLSA-N 0 0 402.838 4.118 20 5 HIBDRN CC1(C)CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000490119930 903777226 /nfs/dbraw/zinc/77/72/26/903777226.db2.gz NKJHBTCQTHJWJP-OAHLLOKOSA-N 0 0 416.286 4.068 20 5 HIBDRN C[C@H]1CN(c2ccc(CN[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)cn2)CCO1 ZINC000490172235 903809106 /nfs/dbraw/zinc/80/91/06/903809106.db2.gz MEOWRFFYFUMVQP-MHECFPHRSA-N 0 0 418.497 4.094 20 5 HIBDRN O=[N+]([O-])c1cccc([C@@H](NCc2ccccc2N2CCOCC2)c2ccccc2)c1 ZINC000490190123 903817078 /nfs/dbraw/zinc/81/70/78/903817078.db2.gz GBNODUPRLCTFNU-DEOSSOPVSA-N 0 0 403.482 4.311 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000490194961 903821155 /nfs/dbraw/zinc/82/11/55/903821155.db2.gz QDCHNZYVNPBEGX-LJQANCHMSA-N 0 0 418.457 4.352 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000490252056 903855710 /nfs/dbraw/zinc/85/57/10/903855710.db2.gz UHCCBLRKYHFJMA-UXHICEINSA-N 0 0 403.429 4.135 20 5 HIBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1cccc(F)c1 ZINC000490258731 903857963 /nfs/dbraw/zinc/85/79/63/903857963.db2.gz CNAVCHRUZSQJGS-UHFFFAOYSA-N 0 0 423.400 4.285 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OCc2ccccc2)cc1 ZINC000490371310 903964243 /nfs/dbraw/zinc/96/42/43/903964243.db2.gz RNCMIFVROVLKTO-UHFFFAOYSA-N 0 0 415.409 4.211 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000490372826 903965683 /nfs/dbraw/zinc/96/56/83/903965683.db2.gz WWHLNJWMRLRYQS-CABCVRRESA-N 0 0 417.347 4.141 20 5 HIBDRN O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000490373374 903965973 /nfs/dbraw/zinc/96/59/73/903965973.db2.gz SHHJZGPTRZMCKI-ONEGZZNKSA-N 0 0 410.333 4.481 20 5 HIBDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000490374030 903967170 /nfs/dbraw/zinc/96/71/70/903967170.db2.gz XSDDBNFCNGSWEQ-UHFFFAOYSA-N 0 0 424.417 4.203 20 5 HIBDRN CC(=O)c1ccc(-c2ccc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)o2)cc1 ZINC000490379458 903972648 /nfs/dbraw/zinc/97/26/48/903972648.db2.gz UCWYZWJOVZRCIM-UHFFFAOYSA-N 0 0 417.381 4.095 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc1[N+](=O)[O-] ZINC000490493918 904046886 /nfs/dbraw/zinc/04/68/86/904046886.db2.gz BIGVONWOCJNTIN-UHFFFAOYSA-N 0 0 421.866 4.041 20 5 HIBDRN COc1cc(CNc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490538067 904084776 /nfs/dbraw/zinc/08/47/76/904084776.db2.gz DUXGAGMJJSNMNC-UHFFFAOYSA-N 0 0 404.373 4.045 20 5 HIBDRN CCOc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Br ZINC000490559022 904098658 /nfs/dbraw/zinc/09/86/58/904098658.db2.gz VAIHZLXVBHQTPT-UHFFFAOYSA-N 0 0 418.247 4.419 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H]1n1ccnc1 ZINC000490590423 904121467 /nfs/dbraw/zinc/12/14/67/904121467.db2.gz VTLIJMUYMDKWOT-VGSWGCGISA-N 0 0 419.485 4.127 20 5 HIBDRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000490684029 904171248 /nfs/dbraw/zinc/17/12/48/904171248.db2.gz LNTQQEUEVBQYJX-MRXNPFEDSA-N 0 0 421.295 4.455 20 5 HIBDRN CC1CCN(C(=O)c2ccccc2NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000490722949 904192612 /nfs/dbraw/zinc/19/26/12/904192612.db2.gz SOVACLBIVXENNY-UHFFFAOYSA-N 0 0 424.501 4.298 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C2CC2)cc1 ZINC000490822798 904268116 /nfs/dbraw/zinc/26/81/16/904268116.db2.gz RPEVPCMUYVUMEN-UHFFFAOYSA-N 0 0 404.348 4.227 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000490824811 904269168 /nfs/dbraw/zinc/26/91/68/904269168.db2.gz IPPSAXKEVOGQNH-UHFFFAOYSA-N 0 0 424.478 4.438 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000490917394 904317357 /nfs/dbraw/zinc/31/73/57/904317357.db2.gz ZCJGBMQMWPLWTR-KRWDZBQOSA-N 0 0 405.376 4.402 20 5 HIBDRN O=C(NCC1(Cc2ccccc2)CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000490940603 904326730 /nfs/dbraw/zinc/32/67/30/904326730.db2.gz TXOUBISAQLMJJN-UHFFFAOYSA-N 0 0 405.454 4.382 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(F)c1 ZINC000490954312 904333179 /nfs/dbraw/zinc/33/31/79/904333179.db2.gz IPKZSLQQYUOKGG-UHFFFAOYSA-N 0 0 413.405 4.352 20 5 HIBDRN O=C(NCC1(c2ccc(F)cc2F)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490993143 904355808 /nfs/dbraw/zinc/35/58/08/904355808.db2.gz GBZNGJTUVRQFFS-UHFFFAOYSA-N 0 0 401.413 4.279 20 5 HIBDRN O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491020579 904373207 /nfs/dbraw/zinc/37/32/07/904373207.db2.gz NQHPIQLNNJSOIT-PGRDOPGGSA-N 0 0 409.486 4.437 20 5 HIBDRN COc1cc(CNc2cccc(-c3nnc(C)o3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491024549 904374532 /nfs/dbraw/zinc/37/45/32/904374532.db2.gz TYWUTQCPHYOPTB-UHFFFAOYSA-N 0 0 420.372 4.218 20 5 HIBDRN COc1cc(CN2C[C@@H](c3ccccc3)OC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491064818 904406924 /nfs/dbraw/zinc/40/69/24/904406924.db2.gz IIJJQMCBSYTQIW-VLIAUNLRSA-N 0 0 422.428 4.209 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000491079475 904416169 /nfs/dbraw/zinc/41/61/69/904416169.db2.gz QTMWIQQDTJYFSE-CQSZACIVSA-N 0 0 417.556 4.428 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1S(=O)(=O)C1CCCC1 ZINC000491111014 904433417 /nfs/dbraw/zinc/43/34/17/904433417.db2.gz MHHQUCABTQIWDZ-UHFFFAOYSA-N 0 0 402.472 4.180 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CCn4cccc4[C@H]3c3ccccc3)n2)c1 ZINC000506124299 914812763 /nfs/dbraw/zinc/81/27/63/914812763.db2.gz URPSFJBPNVRHRI-OAQYLSRUSA-N 0 0 401.426 4.052 20 5 HIBDRN CC(C)(NC(=O)N[C@H]1c2ccccc2CC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000491170966 904467618 /nfs/dbraw/zinc/46/76/18/904467618.db2.gz IHLBZHNLNQRLDW-FQEVSTJZSA-N 0 0 409.486 4.223 20 5 HIBDRN COc1cc(CN2CCC(OC3CCCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491239359 904495769 /nfs/dbraw/zinc/49/57/69/904495769.db2.gz KZECHKIWRABALK-UHFFFAOYSA-N 0 0 414.449 4.171 20 5 HIBDRN COc1cc(CN(C)Cc2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000491250225 904502953 /nfs/dbraw/zinc/50/29/53/904502953.db2.gz QDMVONCDDUPHCJ-UHFFFAOYSA-N 0 0 402.344 4.158 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(Cc4ccccn4)CC3)o2)c(Cl)c1 ZINC000506137066 914818790 /nfs/dbraw/zinc/81/87/90/914818790.db2.gz NBCLKCNBOJQPPH-UHFFFAOYSA-N 0 0 412.877 4.221 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3nnc(-c4ccco4)s3)cc2[N+](=O)[O-])C1 ZINC000491335246 904544020 /nfs/dbraw/zinc/54/40/20/904544020.db2.gz YLEJYDWASNSQCJ-GFCCVEGCSA-N 0 0 413.459 4.195 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)c([N+](=O)[O-])cc1OC ZINC000491470498 904613403 /nfs/dbraw/zinc/61/34/03/904613403.db2.gz RPZYQQPLJYKHMG-CQSZACIVSA-N 0 0 423.469 4.079 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000506155931 914827721 /nfs/dbraw/zinc/82/77/21/914827721.db2.gz MQHMOJKMOIELSJ-HXUWFJFHSA-N 0 0 403.442 4.423 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2)C1 ZINC000491663766 904682812 /nfs/dbraw/zinc/68/28/12/904682812.db2.gz KBLAHNOWSMPAQG-HSZRJFAPSA-N 0 0 418.449 4.388 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(CSCCO)ccn1 ZINC000491756950 904693015 /nfs/dbraw/zinc/69/30/15/904693015.db2.gz NKMMUHKFXPYUAP-UHFFFAOYSA-N 0 0 421.544 4.216 20 5 HIBDRN COc1cc(CNc2cccc(-n3ccnc3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491857549 904714093 /nfs/dbraw/zinc/71/40/93/904714093.db2.gz XMUVSTWBACBBDS-UHFFFAOYSA-N 0 0 404.373 4.045 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC000491900393 904724482 /nfs/dbraw/zinc/72/44/82/904724482.db2.gz FEBSZYYYSJCHKP-UHFFFAOYSA-N 0 0 402.472 4.262 20 5 HIBDRN COc1cc(CNc2cccc(NC(=O)C3CC3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491902188 904726411 /nfs/dbraw/zinc/72/64/11/904726411.db2.gz PZXKVTRGSJEYBT-UHFFFAOYSA-N 0 0 421.400 4.208 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000491903308 904727052 /nfs/dbraw/zinc/72/70/52/904727052.db2.gz VILIPTDWVKOCQQ-MRXNPFEDSA-N 0 0 416.359 4.477 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000491940626 904736325 /nfs/dbraw/zinc/73/63/25/904736325.db2.gz SYALWLSKJULVNN-UHFFFAOYSA-N 0 0 403.276 4.138 20 5 HIBDRN C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1Cl ZINC000491983858 904751051 /nfs/dbraw/zinc/75/10/51/904751051.db2.gz WNHJVCYOUXPHPI-LLVKDONJSA-N 0 0 403.287 4.125 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000492137939 904803997 /nfs/dbraw/zinc/80/39/97/904803997.db2.gz BXGXJKLGUDWXKK-CYBMUJFWSA-N 0 0 400.303 4.498 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000492177064 904809910 /nfs/dbraw/zinc/80/99/10/904809910.db2.gz DHCJZEXDGVNJRT-INIZCTEOSA-N 0 0 416.359 4.477 20 5 HIBDRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492243908 904823026 /nfs/dbraw/zinc/82/30/26/904823026.db2.gz XYXWMYXBTSHRCY-INIZCTEOSA-N 0 0 402.756 4.012 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(Oc2ccccn2)cc1 ZINC000506210469 914846523 /nfs/dbraw/zinc/84/65/23/914846523.db2.gz NPZBRJBCJMHEOG-AWEZNQCLSA-N 0 0 408.414 4.230 20 5 HIBDRN CCOc1cc(CNc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000492359138 904839152 /nfs/dbraw/zinc/83/91/52/904839152.db2.gz VTHZJGZJXHHSLY-UHFFFAOYSA-N 0 0 423.391 4.447 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCC4(CC3)OCCc3ccsc34)co2)cc1 ZINC000492466851 904853765 /nfs/dbraw/zinc/85/37/65/904853765.db2.gz QNTIDQCZYPCBDL-UHFFFAOYSA-N 0 0 411.483 4.375 20 5 HIBDRN CN(C)C(=O)c1ccnc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000506224366 914850926 /nfs/dbraw/zinc/85/09/26/914850926.db2.gz PZMRVCZHSPUGLB-UHFFFAOYSA-N 0 0 422.466 4.095 20 5 HIBDRN CCOc1cc(CNc2ccn(-c3ncccc3C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000492667844 904885556 /nfs/dbraw/zinc/88/55/56/904885556.db2.gz GEKKITKAZNBOOT-UHFFFAOYSA-N 0 0 407.352 4.205 20 5 HIBDRN C[C@@H](Oc1ccccc1Br)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492896258 904943600 /nfs/dbraw/zinc/94/36/00/904943600.db2.gz VJROXNZYYTXWDO-CYBMUJFWSA-N 0 0 419.275 4.316 20 5 HIBDRN COc1cc(CCNC(=O)C/C=C/c2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000492945781 904958686 /nfs/dbraw/zinc/95/86/86/904958686.db2.gz PXKDRUHQQZGJFC-AATRIKPKSA-N 0 0 412.486 4.498 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493001382 904980168 /nfs/dbraw/zinc/98/01/68/904980168.db2.gz FIVGMWJSRMTGQD-CYBMUJFWSA-N 0 0 421.847 4.261 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000493037832 904999697 /nfs/dbraw/zinc/99/96/97/904999697.db2.gz YXCQVQCOSIVSCJ-YJBOKZPZSA-N 0 0 411.458 4.282 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000493079749 905012082 /nfs/dbraw/zinc/01/20/82/905012082.db2.gz NDFZGPDFCYQJDG-MRXNPFEDSA-N 0 0 410.474 4.330 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000493132784 905027964 /nfs/dbraw/zinc/02/79/64/905027964.db2.gz NIOLZGSJODCOPK-WLOOLWSVSA-N 0 0 403.504 4.104 20 5 HIBDRN CC[C@H](NC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000493133076 905028693 /nfs/dbraw/zinc/02/86/93/905028693.db2.gz OEGDYCWYLZYFKQ-PXNSSMCTSA-N 0 0 410.474 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O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000493549696 905158599 /nfs/dbraw/zinc/15/85/99/905158599.db2.gz GNZHAUUNIRNUBL-ZDUSSCGKSA-N 0 0 408.254 4.369 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000512385502 921122214 /nfs/dbraw/zinc/12/22/14/921122214.db2.gz GNUXVKNNKPJKLV-UHFFFAOYSA-N 0 0 404.422 4.460 20 5 HIBDRN O=C(c1cc(N[C@H]2CCC[C@@H]2OCc2ccccc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000493738142 905207494 /nfs/dbraw/zinc/20/74/94/905207494.db2.gz OONIQORKWZADHU-UNMCSNQZSA-N 0 0 409.486 4.381 20 5 HIBDRN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000493896091 905253483 /nfs/dbraw/zinc/25/34/83/905253483.db2.gz CTOJXTFJDRGCOK-LBPRGKRZSA-N 0 0 409.364 4.046 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)c(C)c2)cc1[N+](=O)[O-] ZINC000493907752 905260377 /nfs/dbraw/zinc/26/03/77/905260377.db2.gz POQJLERTJJRPGV-LBPRGKRZSA-N 0 0 409.364 4.046 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)cc1[N+](=O)[O-] ZINC000493937509 905289099 /nfs/dbraw/zinc/28/90/99/905289099.db2.gz QWERYKAAZYNXSI-OAHLLOKOSA-N 0 0 411.458 4.041 20 5 HIBDRN O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493992627 905335815 /nfs/dbraw/zinc/33/58/15/905335815.db2.gz PFTPOCKZRFMXFM-UHFFFAOYSA-N 0 0 420.454 4.281 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000494014315 905352819 /nfs/dbraw/zinc/35/28/19/905352819.db2.gz CLMNGOVKPMRLML-TZIWHRDSSA-N 0 0 405.458 4.458 20 5 HIBDRN CCOc1ccc(C(=O)Nc2scc(CC(C)C)c2C(=O)OC)cc1[N+](=O)[O-] ZINC000512407710 921140725 /nfs/dbraw/zinc/14/07/25/921140725.db2.gz ZXAUTFKDBXYDIY-UHFFFAOYSA-N 0 0 406.460 4.292 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(C(F)(F)F)nc2C)cc1[N+](=O)[O-] ZINC000512408926 921142266 /nfs/dbraw/zinc/14/22/66/921142266.db2.gz BAZWBFSBUVOLQP-UHFFFAOYSA-N 0 0 415.393 4.198 20 5 HIBDRN CC[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1OC(F)F 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HIBDRN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000496534340 906705171 /nfs/dbraw/zinc/70/51/71/906705171.db2.gz JOXZFEKLVLFSQT-JOCHJYFZSA-N 0 0 411.408 4.449 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000496625749 906723643 /nfs/dbraw/zinc/72/36/43/906723643.db2.gz AQIVEMKPFWAVIW-HNNXBMFYSA-N 0 0 411.845 4.191 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1OC ZINC000512618552 921263783 /nfs/dbraw/zinc/26/37/83/921263783.db2.gz JYHWBQVVGSLYHA-GASCZTMLSA-N 0 0 413.474 4.347 20 5 HIBDRN Cn1nccc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000512639275 921270705 /nfs/dbraw/zinc/27/07/05/921270705.db2.gz FHRHTKMJFSJMTN-MRXNPFEDSA-N 0 0 422.510 4.499 20 5 HIBDRN Cn1nccc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000512639274 921270910 /nfs/dbraw/zinc/27/09/10/921270910.db2.gz FHRHTKMJFSJMTN-INIZCTEOSA-N 0 0 422.510 4.499 20 5 HIBDRN 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CCCc1ccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2cccs2)cc1 ZINC000497414255 906889751 /nfs/dbraw/zinc/88/97/51/906889751.db2.gz DFOFQMFTYWSUQU-NRFANRHFSA-N 0 0 412.515 4.410 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000497457258 906932815 /nfs/dbraw/zinc/93/28/15/906932815.db2.gz DMVMRCMEEUZWMG-UHFFFAOYSA-N 0 0 410.474 4.151 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000512697561 921291194 /nfs/dbraw/zinc/29/11/94/921291194.db2.gz SODBTNFOBQBQPE-HSZRJFAPSA-N 0 0 416.481 4.242 20 5 HIBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000497531365 907021632 /nfs/dbraw/zinc/02/16/32/907021632.db2.gz ADNPMMQNMNCRFB-GOSISDBHSA-N 0 0 401.369 4.322 20 5 HIBDRN Cc1nc([C@@](C)(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C2CC2)no1 ZINC000497531267 907022735 /nfs/dbraw/zinc/02/27/35/907022735.db2.gz CRPDTZBBKCIOGW-FQEVSTJZSA-N 0 0 418.519 4.480 20 5 HIBDRN CS(=O)(=O)c1cccc(NCc2cccc(OCc3ccccc3)c2)c1[N+](=O)[O-] ZINC000497551183 907040953 /nfs/dbraw/zinc/04/09/53/907040953.db2.gz BMJLGZDBUNUXGR-UHFFFAOYSA-N 0 0 412.467 4.189 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c2ccncc21 ZINC000497558702 907046003 /nfs/dbraw/zinc/04/60/03/907046003.db2.gz WSPNCNRAZQWJNV-IBGZPJMESA-N 0 0 401.369 4.322 20 5 HIBDRN O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000497578530 907062139 /nfs/dbraw/zinc/06/21/39/907062139.db2.gz KLCSWGJBIIWMNU-UHFFFAOYSA-N 0 0 403.442 4.062 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)cc1[N+](=O)[O-])c1ccccn1 ZINC000497597022 907077020 /nfs/dbraw/zinc/07/70/20/907077020.db2.gz RSAWFPLNMVRPSZ-RIFZZMRRSA-N 0 0 422.485 4.137 20 5 HIBDRN Cc1nc([C@@](C)(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C2CC2)no1 ZINC000497597835 907077852 /nfs/dbraw/zinc/07/78/52/907077852.db2.gz GYCWQFKUGMMKQA-NRFANRHFSA-N 0 0 424.482 4.493 20 5 HIBDRN O=C(COC(F)F)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000512714429 921295043 /nfs/dbraw/zinc/29/50/43/921295043.db2.gz SAUBCSNCLMXRHG-UHFFFAOYSA-N 0 0 404.728 4.035 20 5 HIBDRN O=C(c1ccc2c(c1)oc1ccccc12)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000512717833 921295631 /nfs/dbraw/zinc/29/56/31/921295631.db2.gz DUXHQHKOUHRMDB-HNNXBMFYSA-N 0 0 402.410 4.216 20 5 HIBDRN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497661652 907153703 /nfs/dbraw/zinc/15/37/03/907153703.db2.gz WWQPGFDBRADHBK-HNNXBMFYSA-N 0 0 402.516 4.165 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000512733170 921298864 /nfs/dbraw/zinc/29/88/64/921298864.db2.gz DWJROEDMUQXNPZ-ZDUSSCGKSA-N 0 0 424.379 4.202 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512758575 921302918 /nfs/dbraw/zinc/30/29/18/921302918.db2.gz HXCDSLPLDHNDTI-NSHDSACASA-N 0 0 409.514 4.128 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)cc1C ZINC000497764826 907258659 /nfs/dbraw/zinc/25/86/59/907258659.db2.gz QPGJRHASFLPNAW-PBHICJAKSA-N 0 0 404.488 4.281 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1nccn1-c1ccccc1 ZINC000512787788 921311484 /nfs/dbraw/zinc/31/14/84/921311484.db2.gz LNFJRPJRETYNHK-MRXNPFEDSA-N 0 0 405.458 4.216 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(OC[C@@H]2CCCO2)c1 ZINC000497799446 907285375 /nfs/dbraw/zinc/28/53/75/907285375.db2.gz GMLMKYLSKVTYII-AWEZNQCLSA-N 0 0 422.384 4.315 20 5 HIBDRN C[C@H]1CN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CCO1 ZINC000497826545 907308356 /nfs/dbraw/zinc/30/83/56/907308356.db2.gz TZKLINWYGJWYAS-LBPRGKRZSA-N 0 0 423.828 4.110 20 5 HIBDRN C[C@@H]1CN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CCO1 ZINC000497826544 907309016 /nfs/dbraw/zinc/30/90/16/907309016.db2.gz TZKLINWYGJWYAS-GFCCVEGCSA-N 0 0 423.828 4.110 20 5 HIBDRN CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1cccc(Cl)c1 ZINC000497858563 907337935 /nfs/dbraw/zinc/33/79/35/907337935.db2.gz PUHFZXPFQDZRGN-UHFFFAOYSA-N 0 0 408.907 4.040 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3[nH]ccc3c2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000497871206 907347636 /nfs/dbraw/zinc/34/76/36/907347636.db2.gz WSHHTEYZJRJKEX-UHFFFAOYSA-N 0 0 424.438 4.373 20 5 HIBDRN Cc1csc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)c2)n1 ZINC000497874478 907351161 /nfs/dbraw/zinc/35/11/61/907351161.db2.gz IVIZNQHLWAILOW-UHFFFAOYSA-N 0 0 415.496 4.363 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000497945888 907415946 /nfs/dbraw/zinc/41/59/46/907415946.db2.gz FMLPAVZYHHTGAJ-UHFFFAOYSA-N 0 0 424.284 4.243 20 5 HIBDRN Cc1cc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000498022616 907521675 /nfs/dbraw/zinc/52/16/75/907521675.db2.gz GYTLRTSLUALWRX-HNNXBMFYSA-N 0 0 403.276 4.371 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000498039589 907546713 /nfs/dbraw/zinc/54/67/13/907546713.db2.gz HAMQQIMBBNVWMA-CQSZACIVSA-N 0 0 419.275 4.071 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000498045916 907554088 /nfs/dbraw/zinc/55/40/88/907554088.db2.gz WAUCHIVZPYDHMJ-CQSZACIVSA-N 0 0 419.275 4.071 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000498063159 907572945 /nfs/dbraw/zinc/57/29/45/907572945.db2.gz RRZKUKJYYMACKD-UHFFFAOYSA-N 0 0 416.648 4.266 20 5 HIBDRN CCC(=O)[C@H]1CCCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000498081474 907592316 /nfs/dbraw/zinc/59/23/16/907592316.db2.gz SDHZEBKHFGGMAA-DNVCBOLYSA-N 0 0 410.474 4.137 20 5 HIBDRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000498125207 907640369 /nfs/dbraw/zinc/64/03/69/907640369.db2.gz MCUVJUJNFFDLJV-GDLZYMKVSA-N 0 0 411.483 4.443 20 5 HIBDRN CCn1cc(Br)cc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498139744 907658890 /nfs/dbraw/zinc/65/88/90/907658890.db2.gz CJANPQPXMZIUGS-MRXNPFEDSA-N 0 0 410.293 4.067 20 5 HIBDRN C[C@@H](CC(=O)c1ccccc1F)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498159810 907686289 /nfs/dbraw/zinc/68/62/89/907686289.db2.gz USYYTSITJHSDPM-RNODOKPDSA-N 0 0 402.447 4.217 20 5 HIBDRN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498162392 907691599 /nfs/dbraw/zinc/69/15/99/907691599.db2.gz MCQHGWQFBLUFMY-UHFFFAOYSA-N 0 0 418.384 4.399 20 5 HIBDRN CN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000498243239 907779241 /nfs/dbraw/zinc/77/92/41/907779241.db2.gz OYOWEHNFGNHNMM-UHFFFAOYSA-N 0 0 420.194 4.428 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2C[C@H](CO)c3ccccc32)cc1[N+](=O)[O-] ZINC000498243582 907780098 /nfs/dbraw/zinc/78/00/98/907780098.db2.gz QLGRRSRCZFOOCF-MRXNPFEDSA-N 0 0 400.500 4.469 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498246116 907783458 /nfs/dbraw/zinc/78/34/58/907783458.db2.gz SRDJRQYXGXTUFC-UHFFFAOYSA-N 0 0 402.357 4.251 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000498323270 907839401 /nfs/dbraw/zinc/83/94/01/907839401.db2.gz OFEQTKYYVAFESI-UHFFFAOYSA-N 0 0 407.426 4.028 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Oc1ccc(C)nn1 ZINC000498341712 907847963 /nfs/dbraw/zinc/84/79/63/907847963.db2.gz BZBVYNAQQNLQAZ-UHFFFAOYSA-N 0 0 414.805 4.400 20 5 HIBDRN COc1cccc(C=C2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 ZINC000498382682 907870946 /nfs/dbraw/zinc/87/09/46/907870946.db2.gz MTAQAXLRJINBMO-UHFFFAOYSA-N 0 0 403.438 4.471 20 5 HIBDRN O=C(NCc1cccc(COCC(F)(F)F)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498402830 907884433 /nfs/dbraw/zinc/88/44/33/907884433.db2.gz YKEHSTMCQYCUDY-UHFFFAOYSA-N 0 0 419.359 4.152 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1)CC(F)(F)F ZINC000498440355 907907243 /nfs/dbraw/zinc/90/72/43/907907243.db2.gz KJUNGMWINVSJFC-UHFFFAOYSA-N 0 0 402.756 4.218 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NCc2cccc(N(C)C)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000498531609 908000645 /nfs/dbraw/zinc/00/06/45/908000645.db2.gz JFNOGVDKDYOCFJ-INIZCTEOSA-N 0 0 419.485 4.159 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000498541728 908008736 /nfs/dbraw/zinc/00/87/36/908008736.db2.gz BGGLFZKXCCJNGK-JTQLQIEISA-N 0 0 424.240 4.029 20 5 HIBDRN Cc1cccc([C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccn2)c1 ZINC000498591221 908042175 /nfs/dbraw/zinc/04/21/75/908042175.db2.gz TUAVFFMEVYPSTQ-QHCPKHFHSA-N 0 0 400.438 4.159 20 5 HIBDRN CC(C)(C)c1nc(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 ZINC000498598137 908046711 /nfs/dbraw/zinc/04/67/11/908046711.db2.gz AFLWFJJQASUXAK-UHFFFAOYSA-N 0 0 401.410 4.340 20 5 HIBDRN COC[C@H]1CCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000498609209 908057891 /nfs/dbraw/zinc/05/78/91/908057891.db2.gz XFLGJLQPRSSEEW-ZDUSSCGKSA-N 0 0 407.517 4.010 20 5 HIBDRN CCc1noc(-c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)n1 ZINC000498642303 908083234 /nfs/dbraw/zinc/08/32/34/908083234.db2.gz CJLVEEFAEUBWKV-UHFFFAOYSA-N 0 0 403.398 4.316 20 5 HIBDRN O=[N+]([O-])c1c(NCc2cc3c(c(Br)c2)OCO3)ccc2ncccc21 ZINC000512883635 921379842 /nfs/dbraw/zinc/37/98/42/921379842.db2.gz 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IHCNMADOIHRPIB-QFIPXVFZSA-N 0 0 412.511 4.411 20 5 HIBDRN CCc1cc(NCc2coc(-c3cccs3)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507111289 915874494 /nfs/dbraw/zinc/87/44/94/915874494.db2.gz OYPAVHCRJAMHQE-UHFFFAOYSA-N 0 0 407.455 4.365 20 5 HIBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)F)c1 ZINC000507137092 915885219 /nfs/dbraw/zinc/88/52/19/915885219.db2.gz XNBRJOKFTPNKJB-MRXNPFEDSA-N 0 0 423.441 4.023 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCc3ccc(F)c(Cl)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000507149863 915891948 /nfs/dbraw/zinc/89/19/48/915891948.db2.gz QRNDXKAVYUYBIQ-UHFFFAOYSA-N 0 0 416.840 4.179 20 5 HIBDRN C[C@H](NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000507295026 916062853 /nfs/dbraw/zinc/06/28/53/916062853.db2.gz GJUNBXCLICULDH-SUMWQHHRSA-N 0 0 412.471 4.049 20 5 HIBDRN Cc1cc(C)c(NC(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)c1 ZINC000507438955 916209417 /nfs/dbraw/zinc/20/94/17/916209417.db2.gz BPJLALZVBBIXRA-UHFFFAOYSA-N 0 0 407.417 4.192 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC000507463914 916231462 /nfs/dbraw/zinc/23/14/62/916231462.db2.gz LDYIXPAZMTXFGD-UHFFFAOYSA-N 0 0 407.392 4.186 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)cc1Br ZINC000507501851 916269104 /nfs/dbraw/zinc/26/91/04/916269104.db2.gz PRZHUJXGOOQRHX-SNVBAGLBSA-N 0 0 413.268 4.293 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000507583687 916337845 /nfs/dbraw/zinc/33/78/45/916337845.db2.gz JQSRWKWPQFKDAG-WMZOPIPTSA-N 0 0 411.506 4.086 20 5 HIBDRN CS(=O)(=O)c1cc(SCc2csc(Br)c2)ccc1[N+](=O)[O-] ZINC000507585804 916340025 /nfs/dbraw/zinc/34/00/25/916340025.db2.gz DRSXGPCHKVWPRV-UHFFFAOYSA-N 0 0 408.320 4.115 20 5 HIBDRN CS(=O)(=O)c1cc(SCc2ccc(OCC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000507597348 916350733 /nfs/dbraw/zinc/35/07/33/916350733.db2.gz GTUOKSNRTPIUTE-UHFFFAOYSA-N 0 0 421.418 4.232 20 5 HIBDRN CS(=O)(=O)c1cc(SCc2cc(Br)ccc2F)ccc1[N+](=O)[O-] ZINC000507601790 916356224 /nfs/dbraw/zinc/35/62/24/916356224.db2.gz RZCXQPFSRHVAFO-UHFFFAOYSA-N 0 0 420.281 4.192 20 5 HIBDRN CS(=O)(=O)c1cc(SCc2cc(-c3ccc(F)cc3)no2)ccc1[N+](=O)[O-] ZINC000507646020 916404453 /nfs/dbraw/zinc/40/44/53/916404453.db2.gz WHHGBVSDVPOFAZ-UHFFFAOYSA-N 0 0 408.432 4.085 20 5 HIBDRN Cc1nc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1Br ZINC000507645480 916404672 /nfs/dbraw/zinc/40/46/72/916404672.db2.gz RGAOQPWJJDWWDK-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cc1 ZINC000507652087 916414198 /nfs/dbraw/zinc/41/41/98/916414198.db2.gz RNNYQTWFGXZYGF-UHFFFAOYSA-N 0 0 423.512 4.246 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000507682767 916452931 /nfs/dbraw/zinc/45/29/31/916452931.db2.gz IOZCNJJOBDJQTB-UHFFFAOYSA-N 0 0 409.442 4.324 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000507769895 916556668 /nfs/dbraw/zinc/55/66/68/916556668.db2.gz KFZYLNCOQPJFNI-KZULUSFZSA-N 0 0 424.284 4.302 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@@H]1CCCOC1 ZINC000507825268 916626705 /nfs/dbraw/zinc/62/67/05/916626705.db2.gz MFCMJWSAWBMCDB-GOEBONIOSA-N 0 0 417.893 4.405 20 5 HIBDRN Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507839600 916647466 /nfs/dbraw/zinc/64/74/66/916647466.db2.gz YBLDDJQZLWQILF-UHFFFAOYSA-N 0 0 419.441 4.184 20 5 HIBDRN Cc1sc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1 ZINC000507890850 916742203 /nfs/dbraw/zinc/74/22/03/916742203.db2.gz HTTDAQOQNWRJHL-UHFFFAOYSA-N 0 0 417.874 4.375 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])c2ccccc2OC)cc1 ZINC000507966721 916820315 /nfs/dbraw/zinc/82/03/15/916820315.db2.gz XAXPALLYQSIKRC-JOCHJYFZSA-N 0 0 406.438 4.440 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cccc1[N+](=O)[O-] ZINC000508004374 916844422 /nfs/dbraw/zinc/84/44/22/916844422.db2.gz YFNLVBLNHYUGJO-HNNXBMFYSA-N 0 0 410.405 4.112 20 5 HIBDRN O=C(Nc1ccc(Nc2ncccn2)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000508082301 916900734 /nfs/dbraw/zinc/90/07/34/916900734.db2.gz GOVHRWIOAPVJOP-UHFFFAOYSA-N 0 0 403.320 4.400 20 5 HIBDRN C[C@@H](O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000508206403 917025599 /nfs/dbraw/zinc/02/55/99/917025599.db2.gz SHZPZPKHJKFHCY-OLZOCXBDSA-N 0 0 406.891 4.242 20 5 HIBDRN CCOc1cccc2cc([C@@H](C)NC(=O)c3cc(C(=O)OC)cc([N+](=O)[O-])c3)oc21 ZINC000508294201 917103610 /nfs/dbraw/zinc/10/36/10/917103610.db2.gz PZCMKUITHXSUFQ-GFCCVEGCSA-N 0 0 412.398 4.017 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC000508322192 917127880 /nfs/dbraw/zinc/12/78/80/917127880.db2.gz NAFFJOMZBZGOOJ-YJBOKZPZSA-N 0 0 420.473 4.296 20 5 HIBDRN Cc1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)cc1[N+](=O)[O-] ZINC000508340834 917142287 /nfs/dbraw/zinc/14/22/87/917142287.db2.gz LXSYLOXEKFEMIH-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN Cc1cnccc1OC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000508369854 917169453 /nfs/dbraw/zinc/16/94/53/917169453.db2.gz MKGZTPHCVAMDGH-UHFFFAOYSA-N 0 0 409.364 4.001 20 5 HIBDRN COC(=O)c1ncc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl ZINC000508459673 917243899 /nfs/dbraw/zinc/24/38/99/917243899.db2.gz VXCRMURUHRBRNP-UHFFFAOYSA-N 0 0 404.835 4.165 20 5 HIBDRN CCCOc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 ZINC000508503908 917288196 /nfs/dbraw/zinc/28/81/96/917288196.db2.gz PRVOKGXBQAPCNG-UHFFFAOYSA-N 0 0 408.458 4.498 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000508590017 917360899 /nfs/dbraw/zinc/36/08/99/917360899.db2.gz TUVOKPKAEJTZCR-SNVBAGLBSA-N 0 0 403.744 4.006 20 5 HIBDRN Cc1c(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cccc1[N+](=O)[O-] ZINC000508778789 917532639 /nfs/dbraw/zinc/53/26/39/917532639.db2.gz NEPKVMJCXNDSQT-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN Cc1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000508785628 917541332 /nfs/dbraw/zinc/54/13/32/917541332.db2.gz RMSNFMKPKBZSAI-UHFFFAOYSA-N 0 0 401.507 4.487 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1cncc(Cl)c1 ZINC000508788720 917543888 /nfs/dbraw/zinc/54/38/88/917543888.db2.gz IKBLRJBRSJYZEN-UHFFFAOYSA-N 0 0 409.895 4.200 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c(Cl)c1 ZINC000508870039 917623621 /nfs/dbraw/zinc/62/36/21/917623621.db2.gz KCPQLSJWJCQLEP-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Nc2cc(Cc3ccccn3)ccc2C)c([N+](=O)[O-])c1 ZINC000508994013 917746844 /nfs/dbraw/zinc/74/68/44/917746844.db2.gz FHKZGMRHPYOXQQ-MRXNPFEDSA-N 0 0 420.469 4.337 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Nc2cc(Cc3ccccn3)ccc2C)c([N+](=O)[O-])c1 ZINC000508994012 917747257 /nfs/dbraw/zinc/74/72/57/917747257.db2.gz FHKZGMRHPYOXQQ-INIZCTEOSA-N 0 0 420.469 4.337 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(Cc2ccccn2)ccc1C ZINC000508996516 917750581 /nfs/dbraw/zinc/75/05/81/917750581.db2.gz NZNKDXLXNKVMEQ-MRXNPFEDSA-N 0 0 420.469 4.337 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000509051121 917801169 /nfs/dbraw/zinc/80/11/69/917801169.db2.gz ODBMZERGRIRGLZ-HXUWFJFHSA-N 0 0 406.438 4.082 20 5 HIBDRN O=C(NCc1c(F)cccc1N1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000509054647 917803664 /nfs/dbraw/zinc/80/36/64/917803664.db2.gz VUDRIGKSAHHJEQ-UHFFFAOYSA-N 0 0 412.465 4.208 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)cc1[N+](=O)[O-] ZINC000509062086 917809872 /nfs/dbraw/zinc/80/98/72/917809872.db2.gz AVDDITDNKBHFHW-AWEZNQCLSA-N 0 0 404.417 4.092 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)s1 ZINC000509111382 917848961 /nfs/dbraw/zinc/84/89/61/917848961.db2.gz OOUZIZDXQPLJSA-UHFFFAOYSA-N 0 0 420.434 4.276 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000509140431 917866213 /nfs/dbraw/zinc/86/62/13/917866213.db2.gz QMKYOLKGNKPEAJ-UHFFFAOYSA-N 0 0 422.812 4.130 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CCC([C@H](F)c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000509168057 917881980 /nfs/dbraw/zinc/88/19/80/917881980.db2.gz MNZUUZXXZPMENB-KRWDZBQOSA-N 0 0 416.471 4.215 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc(CN2CCCCCC2)cs1 ZINC000509208295 917909920 /nfs/dbraw/zinc/90/99/20/917909920.db2.gz DCRZYWTXHPSNPJ-UHFFFAOYSA-N 0 0 417.535 4.258 20 5 HIBDRN CCOc1ccccc1[C@H](CC)NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000509290230 917972584 /nfs/dbraw/zinc/97/25/84/917972584.db2.gz QHBIOZOKUMNYEO-AWEZNQCLSA-N 0 0 424.400 4.485 20 5 HIBDRN COc1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC ZINC000509329510 918000341 /nfs/dbraw/zinc/00/03/41/918000341.db2.gz ZVGFVWVNCDGDIB-ZDUSSCGKSA-N 0 0 416.327 4.175 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3c(F)cc([N+](=O)[O-])cc3F)C2)cc1 ZINC000509368943 918033559 /nfs/dbraw/zinc/03/35/59/918033559.db2.gz BTEBOXFDNXFAPX-HNNXBMFYSA-N 0 0 418.444 4.215 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000509440306 918094958 /nfs/dbraw/zinc/09/49/58/918094958.db2.gz ZFSGVPZXYGXLCZ-UHFFFAOYSA-N 0 0 419.865 4.140 20 5 HIBDRN O=C(Nc1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000509447840 918101876 /nfs/dbraw/zinc/10/18/76/918101876.db2.gz LOUGGTVDMWVCMD-GOSISDBHSA-N 0 0 403.442 4.375 20 5 HIBDRN CCOc1cc(C(=O)NCCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000509457717 918109343 /nfs/dbraw/zinc/10/93/43/918109343.db2.gz LPBMNVBBCHNWAE-UHFFFAOYSA-N 0 0 400.475 4.272 20 5 HIBDRN CC[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccc2c(c1)OCCO2 ZINC000509484109 918130038 /nfs/dbraw/zinc/13/00/38/918130038.db2.gz OESLBTWMUNVCAR-LJQANCHMSA-N 0 0 413.474 4.437 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@](CO)(c3ccccc3)C2)nc1-c1ccc(F)cc1 ZINC000509505808 918151579 /nfs/dbraw/zinc/15/15/79/918151579.db2.gz GLPPEKKWUJGWKP-HSZRJFAPSA-N 0 0 407.445 4.326 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2CCCOc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000509559772 918210239 /nfs/dbraw/zinc/21/02/39/918210239.db2.gz RRXSHLKBIWWCRB-INIZCTEOSA-N 0 0 420.462 4.006 20 5 HIBDRN Cc1sc(NC(=O)c2coc(C3CCOCC3)n2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000509586115 918234694 /nfs/dbraw/zinc/23/46/94/918234694.db2.gz YWVHWOQHYVOCOD-UHFFFAOYSA-N 0 0 414.443 4.161 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000509620855 918268257 /nfs/dbraw/zinc/26/82/57/918268257.db2.gz WBAWRAVCRCUAFM-UHFFFAOYSA-N 0 0 410.474 4.160 20 5 HIBDRN O=C(NCc1ccc2c(c1)OCO2)[C@@H](Sc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000509639432 918280262 /nfs/dbraw/zinc/28/02/62/918280262.db2.gz XUBASZAMTUOSQN-NRFANRHFSA-N 0 0 422.462 4.473 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c(F)c1 ZINC000509653117 918290674 /nfs/dbraw/zinc/29/06/74/918290674.db2.gz PQULCZPRUIYHRH-QGZVFWFLSA-N 0 0 402.319 4.465 20 5 HIBDRN CC(C)(C)c1csc(C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)n1 ZINC000509663844 918296335 /nfs/dbraw/zinc/29/63/35/918296335.db2.gz ITVXZYUVVZAVBH-UHFFFAOYSA-N 0 0 406.483 4.090 20 5 HIBDRN CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000509663105 918296473 /nfs/dbraw/zinc/29/64/73/918296473.db2.gz HOQKYMHVTAHISH-UHFFFAOYSA-N 0 0 423.263 4.350 20 5 HIBDRN CC(C)(C)c1csc(C2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000509675398 918306738 /nfs/dbraw/zinc/30/67/38/918306738.db2.gz LDQLAZCSGVJVKW-UHFFFAOYSA-N 0 0 413.503 4.245 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000509677484 918309280 /nfs/dbraw/zinc/30/92/80/918309280.db2.gz BFXMOHOUGRFQOW-ZWNOBZJWSA-N 0 0 420.796 4.101 20 5 HIBDRN CC(=O)Nc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)ccc1F ZINC000509697219 918327938 /nfs/dbraw/zinc/32/79/38/918327938.db2.gz JCLITAGDOWSTER-UHFFFAOYSA-N 0 0 410.199 4.016 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000509698971 918329674 /nfs/dbraw/zinc/32/96/74/918329674.db2.gz PJFHDXKBANGRKH-IBGZPJMESA-N 0 0 415.877 4.038 20 5 HIBDRN CCOc1cc(NC(=O)N(CC)CCc2ccccc2)c([N+](=O)[O-])cc1OCC ZINC000509725323 918350509 /nfs/dbraw/zinc/35/05/09/918350509.db2.gz DNRGLNZDLSPNEZ-UHFFFAOYSA-N 0 0 401.463 4.489 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000509730292 918353607 /nfs/dbraw/zinc/35/36/07/918353607.db2.gz MJVPOXDUBFKJSI-WCQYABFASA-N 0 0 420.796 4.101 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000509766508 918379949 /nfs/dbraw/zinc/37/99/49/918379949.db2.gz IQGIECBFYCZOTD-UHFFFAOYSA-N 0 0 416.421 4.354 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000509913523 918513555 /nfs/dbraw/zinc/51/35/55/918513555.db2.gz ZGSZVLFXWIAIJI-KRWDZBQOSA-N 0 0 422.485 4.310 20 5 HIBDRN O=C(Nc1ccccc1)N1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000509965141 918556158 /nfs/dbraw/zinc/55/61/58/918556158.db2.gz YWRAFAGNWJBRTC-KRWDZBQOSA-N 0 0 423.498 4.114 20 5 HIBDRN CCCc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000509965636 918556997 /nfs/dbraw/zinc/55/69/97/918556997.db2.gz AJSFXISDEUGTDN-OCCSQVGLSA-N 0 0 410.396 4.355 20 5 HIBDRN CCOc1cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc(OCC)c1OCC ZINC000509966741 918558487 /nfs/dbraw/zinc/55/84/87/918558487.db2.gz HSOYKVHCVJKXKV-UHFFFAOYSA-N 0 0 414.458 4.384 20 5 HIBDRN O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000509985728 918573905 /nfs/dbraw/zinc/57/39/05/918573905.db2.gz YYTBAEYXSJNECG-UHFFFAOYSA-N 0 0 424.407 4.140 20 5 HIBDRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000509987231 918574852 /nfs/dbraw/zinc/57/48/52/918574852.db2.gz UIGSGNJGOKZVIT-UHFFFAOYSA-N 0 0 411.439 4.403 20 5 HIBDRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000510003441 918586394 /nfs/dbraw/zinc/58/63/94/918586394.db2.gz BCSMVPSANGVBML-FQEVSTJZSA-N 0 0 412.446 4.116 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000510007203 918589324 /nfs/dbraw/zinc/58/93/24/918589324.db2.gz SZESIPKFDHSOHF-CYBMUJFWSA-N 0 0 407.239 4.435 20 5 HIBDRN COCc1nc2cc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)ccc2o1 ZINC000510010059 918591942 /nfs/dbraw/zinc/59/19/42/918591942.db2.gz NIAKUMWAVQXUQX-UHFFFAOYSA-N 0 0 420.219 4.206 20 5 HIBDRN C[C@H](NC(=O)C1CCCCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000510046881 918617692 /nfs/dbraw/zinc/61/76/92/918617692.db2.gz ZPWLUPCAPQYYKJ-KRWDZBQOSA-N 0 0 409.486 4.213 20 5 HIBDRN Cc1nnc(-c2cccc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)c2)o1 ZINC000510053040 918622517 /nfs/dbraw/zinc/62/25/17/918622517.db2.gz CPGSRZBXOCXCOD-UHFFFAOYSA-N 0 0 417.219 4.276 20 5 HIBDRN Cc1c(Br)cc(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000510058005 918627015 /nfs/dbraw/zinc/62/70/15/918627015.db2.gz RSIIOJUXHJKZGM-MLGOLLRUSA-N 0 0 413.312 4.237 20 5 HIBDRN COc1ccc(C(=O)N(Cc2ccc(Br)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000510093209 918658076 /nfs/dbraw/zinc/65/80/76/918658076.db2.gz GMKISLPOHKCYQL-UHFFFAOYSA-N 0 0 407.264 4.417 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(CCc3cccnc3)CC2)s1 ZINC000510248746 918784949 /nfs/dbraw/zinc/78/49/49/918784949.db2.gz HHWYVYOJLBPNEX-UHFFFAOYSA-N 0 0 408.527 4.079 20 5 HIBDRN Cc1cnc([C@@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000510262259 918793903 /nfs/dbraw/zinc/79/39/03/918793903.db2.gz ZVQNJPVWRLDIJD-AWEZNQCLSA-N 0 0 410.293 4.312 20 5 HIBDRN Cc1ccc(OCc2cccc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)c2)cn1 ZINC000510295320 918813999 /nfs/dbraw/zinc/81/39/99/918813999.db2.gz ITOVAMZJQRKIRQ-INIZCTEOSA-N 0 0 403.438 4.469 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1cccc(C)c1)C(F)(F)F ZINC000510474583 918927937 /nfs/dbraw/zinc/92/79/37/918927937.db2.gz CHJLZGIGGDIOKD-GOSISDBHSA-N 0 0 411.380 4.134 20 5 HIBDRN Cc1c(Br)cc(C(=O)N(C)[C@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000510494733 918941830 /nfs/dbraw/zinc/94/18/30/918941830.db2.gz AUGFKLOUTMMSMB-INIZCTEOSA-N 0 0 403.276 4.295 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CCc4c(cnn4-c4ccccc4)C3)cs2)c1 ZINC000510517811 918964806 /nfs/dbraw/zinc/96/48/06/918964806.db2.gz LMHCDLHZMGWTIW-UHFFFAOYSA-N 0 0 417.494 4.462 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000510647907 919089008 /nfs/dbraw/zinc/08/90/08/919089008.db2.gz UMTGORYFVRTBLH-FGZHOGPDSA-N 0 0 404.470 4.201 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c(F)c1 ZINC000510744648 919193359 /nfs/dbraw/zinc/19/33/59/919193359.db2.gz HWZPQAZBNXTFQV-HNNXBMFYSA-N 0 0 410.726 4.368 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N(C)[C@@H]3CCc4ccccc4C3)cc2[N+](=O)[O-])CC1 ZINC000510745047 919193666 /nfs/dbraw/zinc/19/36/66/919193666.db2.gz CHDMFPSQYRLLEJ-OAQYLSRUSA-N 0 0 407.514 4.461 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC(C)(C)C1 ZINC000510796205 919265379 /nfs/dbraw/zinc/26/53/79/919265379.db2.gz IETWDWNUQYGEMP-NSHDSACASA-N 0 0 416.259 4.159 20 5 HIBDRN CCCOc1ccc([C@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000510870049 919363186 /nfs/dbraw/zinc/36/31/86/919363186.db2.gz SGPULSZIMKAFLU-INIZCTEOSA-N 0 0 415.490 4.337 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000510910405 919416830 /nfs/dbraw/zinc/41/68/30/919416830.db2.gz BJMMVSPPXIAFPO-LJQANCHMSA-N 0 0 407.829 4.037 20 5 HIBDRN COc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1-c1ccnn1C ZINC000511025551 919599117 /nfs/dbraw/zinc/59/91/17/919599117.db2.gz FQDFUAHYPZPBJD-UHFFFAOYSA-N 0 0 408.458 4.055 20 5 HIBDRN CCCOc1ccc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1Cl ZINC000511093647 919697105 /nfs/dbraw/zinc/69/71/05/919697105.db2.gz KBCPZDZEVNZVQX-UHFFFAOYSA-N 0 0 415.837 4.178 20 5 HIBDRN COC(=O)c1ccc(-c2nc(CN(C)CCc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000511109581 919719824 /nfs/dbraw/zinc/71/98/24/919719824.db2.gz OPTACHPHGXELBJ-UHFFFAOYSA-N 0 0 411.483 4.179 20 5 HIBDRN COc1cccc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000511135367 919753408 /nfs/dbraw/zinc/75/34/08/919753408.db2.gz OYDOPTXKBRAMBC-UHFFFAOYSA-N 0 0 400.412 4.197 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1NC(=O)N(C)C ZINC000511143046 919762383 /nfs/dbraw/zinc/76/23/83/919762383.db2.gz ZXLZXBNRWSBVPM-UHFFFAOYSA-N 0 0 410.352 4.268 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCO[C@@H]3c3ccnn3Cc3ccccc3)n2)cc1 ZINC000511162748 919783423 /nfs/dbraw/zinc/78/34/23/919783423.db2.gz XFOXLBJAWCZZRC-ICSRJNTNSA-N 0 0 417.425 4.135 20 5 HIBDRN O=C(NCc1cc(F)ccc1Br)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000511194114 919811271 /nfs/dbraw/zinc/81/12/71/919811271.db2.gz WXXWHKIRSNJKID-UHFFFAOYSA-N 0 0 402.607 4.472 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000511227238 919833359 /nfs/dbraw/zinc/83/33/59/919833359.db2.gz ACCJDOUNLJKRHH-GOSISDBHSA-N 0 0 405.857 4.263 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC3(C(F)(F)F)CCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000511252719 919855081 /nfs/dbraw/zinc/85/50/81/919855081.db2.gz SYPXTGXAXXFAJE-UHFFFAOYSA-N 0 0 424.423 4.451 20 5 HIBDRN COC1CN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000511289735 919885534 /nfs/dbraw/zinc/88/55/34/919885534.db2.gz RDVAYXUCMFNYBQ-UHFFFAOYSA-N 0 0 412.389 4.236 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)(c2nc(C)no2)CC1 ZINC000511322579 919914266 /nfs/dbraw/zinc/91/42/66/919914266.db2.gz GFJIJINNOLQHKH-UHFFFAOYSA-N 0 0 418.519 4.372 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)Nc2ccc3[nH]cnc3c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000511332692 919922985 /nfs/dbraw/zinc/92/29/85/919922985.db2.gz IQYFTFHXBDXDKU-CYBMUJFWSA-N 0 0 402.414 4.292 20 5 HIBDRN CC(C)C[C@H](C)Oc1cc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000511417725 920031028 /nfs/dbraw/zinc/03/10/28/920031028.db2.gz YYHUUPVXMBAYFV-KRWDZBQOSA-N 0 0 414.506 4.187 20 5 HIBDRN Cc1c(NC(=O)c2ccc(OC(C)(C)C)cn2)cc(Br)cc1[N+](=O)[O-] ZINC000511446976 920055686 /nfs/dbraw/zinc/05/56/86/920055686.db2.gz QTSUSDBWUQQAKI-UHFFFAOYSA-N 0 0 408.252 4.490 20 5 HIBDRN COc1cccc2c1[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)CC2 ZINC000511448347 920056727 /nfs/dbraw/zinc/05/67/27/920056727.db2.gz WYAKZNLRXKTSTI-CYBMUJFWSA-N 0 0 405.248 4.343 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)C2CCC2)c(S(=O)(=O)N2CCCC2)c1 ZINC000511453219 920064153 /nfs/dbraw/zinc/06/41/53/920064153.db2.gz HEBXICNBDIXBBG-OAQYLSRUSA-N 0 0 415.515 4.333 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000511496194 920106528 /nfs/dbraw/zinc/10/65/28/920106528.db2.gz QNHQZTWMIWUJHB-HNNXBMFYSA-N 0 0 420.849 4.214 20 5 HIBDRN CC(=O)c1c(C)[nH]c(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c1C(C)C ZINC000511567766 920209974 /nfs/dbraw/zinc/20/99/74/920209974.db2.gz VGLJOYCNYNGEOD-UHFFFAOYSA-N 0 0 400.479 4.098 20 5 HIBDRN Cc1cccc(C2(CNC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)CCCCC2)c1 ZINC000511577716 920223059 /nfs/dbraw/zinc/22/30/59/920223059.db2.gz SABUXKQHIDWNPB-UHFFFAOYSA-N 0 0 409.486 4.168 20 5 HIBDRN Cc1c(Br)cc(C(=O)N[C@@H](C)c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000511584014 920230529 /nfs/dbraw/zinc/23/05/29/920230529.db2.gz CETXNKNWNPPCSS-NSHDSACASA-N 0 0 417.263 4.043 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccc(OCC(C)(C)O)cc2)cc1[N+](=O)[O-] ZINC000511586415 920231658 /nfs/dbraw/zinc/23/16/58/920231658.db2.gz ORHDFRMDJSQHTC-UHFFFAOYSA-N 0 0 423.263 4.068 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000511602312 920251185 /nfs/dbraw/zinc/25/11/85/920251185.db2.gz BPJLKTPQUJULCW-UHFFFAOYSA-N 0 0 409.417 4.147 20 5 HIBDRN COc1cc(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)ccc1[N+](=O)[O-] ZINC000511665597 920331351 /nfs/dbraw/zinc/33/13/51/920331351.db2.gz QCXACVHZELWQRQ-UHFFFAOYSA-N 0 0 423.248 4.070 20 5 HIBDRN O=[N+]([O-])c1c(NC[C@@H]2CCN(c3cccc(Br)c3)C2)nc2sccn21 ZINC000511696618 920361506 /nfs/dbraw/zinc/36/15/06/920361506.db2.gz CRVIOQAWWGRYRB-NSHDSACASA-N 0 0 422.308 4.005 20 5 HIBDRN O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000511750117 920428563 /nfs/dbraw/zinc/42/85/63/920428563.db2.gz GHMNHGFINHYHLW-ZDUSSCGKSA-N 0 0 408.254 4.369 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)ccc1[N+](=O)[O-] ZINC000511784382 920476925 /nfs/dbraw/zinc/47/69/25/920476925.db2.gz 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ZINC000532646291 931566448 /nfs/dbraw/zinc/56/64/48/931566448.db2.gz HHVRLTJZCGCESB-ZDUSSCGKSA-N 0 0 418.291 4.051 20 5 HIBDRN COc1cc(CNc2ccc(SC)cn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000532675667 931580044 /nfs/dbraw/zinc/58/00/44/931580044.db2.gz VYAUWWYSYJWBRZ-UHFFFAOYSA-N 0 0 403.382 4.274 20 5 HIBDRN O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000532694995 931591020 /nfs/dbraw/zinc/59/10/20/931591020.db2.gz LSINUHAPKKQXAO-UHFFFAOYSA-N 0 0 406.263 4.276 20 5 HIBDRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(C)c1 ZINC000532754754 931623411 /nfs/dbraw/zinc/62/34/11/931623411.db2.gz PWQWYIZAUKSOBX-OAQYLSRUSA-N 0 0 403.442 4.061 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000532805838 931634661 /nfs/dbraw/zinc/63/46/61/931634661.db2.gz XQWBBHAWJARXAO-CYBMUJFWSA-N 0 0 414.849 4.056 20 5 HIBDRN Cc1cccn2cc(COc3ccccc3C(=O)N(C)c3cccc([N+](=O)[O-])c3)nc12 ZINC000532825434 931642830 /nfs/dbraw/zinc/64/28/30/931642830.db2.gz 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C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534293546 932377554 /nfs/dbraw/zinc/37/75/54/932377554.db2.gz KBCSVFFPEAVQDS-CYBMUJFWSA-N 0 0 403.276 4.121 20 5 HIBDRN COC(=O)c1cc(N2CCC[C@@H]2Cn2c(C)nc3ccccc32)cc(C)c1[N+](=O)[O-] ZINC000534397167 932423082 /nfs/dbraw/zinc/42/30/82/932423082.db2.gz JKISHTQJYCLDBM-MRXNPFEDSA-N 0 0 408.458 4.017 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000534435602 932448707 /nfs/dbraw/zinc/44/87/07/932448707.db2.gz ZZJBJIJDBMOWAC-AWEZNQCLSA-N 0 0 406.508 4.265 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000534443308 932456423 /nfs/dbraw/zinc/45/64/23/932456423.db2.gz FCQIBDIKMODSBI-FQEVSTJZSA-N 0 0 421.501 4.141 20 5 HIBDRN COc1ccc(CNC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1[N+](=O)[O-] ZINC000534446386 932460446 /nfs/dbraw/zinc/46/04/46/932460446.db2.gz ITCUCXJYEFYWRM-ZDUSSCGKSA-N 0 0 406.508 4.394 20 5 HIBDRN CCc1nc(-c2ccccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n[nH]1 ZINC000534460170 932476115 /nfs/dbraw/zinc/47/61/15/932476115.db2.gz JJQVNMDJLKQHNU-UHFFFAOYSA-N 0 0 423.476 4.141 20 5 HIBDRN CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000534489639 932526805 /nfs/dbraw/zinc/52/68/05/932526805.db2.gz SMTFQXIOLYMGGE-RXVVDRJESA-N 0 0 419.441 4.039 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000534546719 932557032 /nfs/dbraw/zinc/55/70/32/932557032.db2.gz SDUCYOCWOYXFCE-SUMWQHHRSA-N 0 0 400.479 4.317 20 5 HIBDRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534554549 932560638 /nfs/dbraw/zinc/56/06/38/932560638.db2.gz RAYILHUOKQCCMO-LBPRGKRZSA-N 0 0 421.266 4.260 20 5 HIBDRN O=C(CCc1nc2cc(Cl)ccc2s1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534554331 932560832 /nfs/dbraw/zinc/56/08/32/932560832.db2.gz OOJZELRGKOVUKL-UHFFFAOYSA-N 0 0 401.875 4.375 20 5 HIBDRN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534567854 932570467 /nfs/dbraw/zinc/57/04/67/932570467.db2.gz LLWDTWCOLMAJMV-UHFFFAOYSA-N 0 0 411.849 4.083 20 5 HIBDRN Cc1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1[C@@H]1CCC[C@@H](C)C1 ZINC000534607850 932591966 /nfs/dbraw/zinc/59/19/66/932591966.db2.gz BSHMGHCCDJACQX-MLGOLLRUSA-N 0 0 404.492 4.405 20 5 HIBDRN C[C@@H](NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000534610851 932594947 /nfs/dbraw/zinc/59/49/47/932594947.db2.gz PIOQFUDKMUDSAP-ACJLOTCBSA-N 0 0 421.400 4.040 20 5 HIBDRN CN(Cc1ccccc1Br)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534649527 932621976 /nfs/dbraw/zinc/62/19/76/932621976.db2.gz FSIKCHLYXAXDRM-UHFFFAOYSA-N 0 0 402.248 4.040 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000534694452 932665758 /nfs/dbraw/zinc/66/57/58/932665758.db2.gz CVYZRIWCKHGCFW-HXUWFJFHSA-N 0 0 410.861 4.275 20 5 HIBDRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534727634 932696070 /nfs/dbraw/zinc/69/60/70/932696070.db2.gz DJDLOLQEKWDPSS-FQEVSTJZSA-N 0 0 416.865 4.031 20 5 HIBDRN CC(C)(C)C1=CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000534738122 932709905 /nfs/dbraw/zinc/70/99/05/932709905.db2.gz ZXBMRRSRCZYWKP-UHFFFAOYSA-N 0 0 414.243 4.018 20 5 HIBDRN Cc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1NC(=O)c1ccccc1 ZINC000534745640 932717337 /nfs/dbraw/zinc/71/73/37/932717337.db2.gz PDBKHFQGROCNMW-UHFFFAOYSA-N 0 0 415.409 4.284 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000534757518 932736023 /nfs/dbraw/zinc/73/60/23/932736023.db2.gz GYGJQHOTTNCELY-OAHLLOKOSA-N 0 0 401.422 4.439 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000534792946 932773442 /nfs/dbraw/zinc/77/34/42/932773442.db2.gz NOSBOGCIGQTFBR-UHFFFAOYSA-N 0 0 411.792 4.354 20 5 HIBDRN C[C@H](SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1CCc2ccccc21 ZINC000534794864 932774659 /nfs/dbraw/zinc/77/46/59/932774659.db2.gz RZLSAFXJCXLULJ-AWEZNQCLSA-N 0 0 409.467 4.461 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3cccc(OC(F)F)c3)co2)cc1 ZINC000534794357 932775086 /nfs/dbraw/zinc/77/50/86/932775086.db2.gz WILFRMZWUWHNSP-NDEPHWFRSA-N 0 0 408.382 4.300 20 5 HIBDRN CC(C)(NC(=O)c1cc(N2CCCC2=O)ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000534803102 932779351 /nfs/dbraw/zinc/77/93/51/932779351.db2.gz ORGDQMMLPSUOAG-UHFFFAOYSA-N 0 0 401.850 4.040 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCc3ccsc3C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000534850420 932807216 /nfs/dbraw/zinc/80/72/16/932807216.db2.gz AJDNPGJVEBGEJW-CQSZACIVSA-N 0 0 408.483 4.423 20 5 HIBDRN CCO[C@H](C)c1nc(CN(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cs1 ZINC000534857303 932809040 /nfs/dbraw/zinc/80/90/40/932809040.db2.gz BNHQLSQUYRXRHY-CYBMUJFWSA-N 0 0 402.476 4.436 20 5 HIBDRN O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534966391 932865756 /nfs/dbraw/zinc/86/57/56/932865756.db2.gz QUMLHFLCCNGZBW-UHFFFAOYSA-N 0 0 406.442 4.135 20 5 HIBDRN O=C(Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000534970015 932868043 /nfs/dbraw/zinc/86/80/43/932868043.db2.gz KGRMTJFFCYYLEW-UHFFFAOYSA-N 0 0 410.135 4.490 20 5 HIBDRN COc1ccc(C[C@H](C)CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000534977046 932872392 /nfs/dbraw/zinc/87/23/92/932872392.db2.gz TXNRUZIRCMYIPL-HOCLYGCPSA-N 0 0 415.490 4.159 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000534978917 932873117 /nfs/dbraw/zinc/87/31/17/932873117.db2.gz VEYNRPHNWRQHBX-UHFFFAOYSA-N 0 0 410.757 4.076 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2ccccc2N2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000534992154 932879444 /nfs/dbraw/zinc/87/94/44/932879444.db2.gz WQJCHBHLBGUWGV-UHFFFAOYSA-N 0 0 411.502 4.353 20 5 HIBDRN COc1cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1OC(F)F ZINC000535010018 932884158 /nfs/dbraw/zinc/88/41/58/932884158.db2.gz RGSAIICBMGKMPN-UHFFFAOYSA-N 0 0 421.400 4.079 20 5 HIBDRN O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1Cl ZINC000535052578 932892448 /nfs/dbraw/zinc/89/24/48/932892448.db2.gz WADIIWOHTHSGOG-UHFFFAOYSA-N 0 0 420.256 4.077 20 5 HIBDRN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000535243285 933034175 /nfs/dbraw/zinc/03/41/75/933034175.db2.gz PLLOZBMBSBGQLA-UHFFFAOYSA-N 0 0 404.348 4.242 20 5 HIBDRN COCCSc1ccc([C@H](C)NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000535250806 933036269 /nfs/dbraw/zinc/03/62/69/933036269.db2.gz ILBLLFLMOWVQMF-HNNXBMFYSA-N 0 0 415.515 4.162 20 5 HIBDRN O=C(Nc1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1)c1ccccc1 ZINC000535305682 933062808 /nfs/dbraw/zinc/06/28/08/933062808.db2.gz WVZZJHILFOTYBV-UHFFFAOYSA-N 0 0 416.437 4.437 20 5 HIBDRN CCCN(CCC)C(=O)c1cccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000535310624 933065806 /nfs/dbraw/zinc/06/58/06/933065806.db2.gz SJTIHWUQSOILDD-UHFFFAOYSA-N 0 0 409.486 4.056 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000535325239 933073774 /nfs/dbraw/zinc/07/37/74/933073774.db2.gz KXFILPWGAGRJCR-UHFFFAOYSA-N 0 0 408.748 4.288 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)(F)F)cc1Br ZINC000535334743 933078925 /nfs/dbraw/zinc/07/89/25/933078925.db2.gz FUBOYGOIKNZIRX-UHFFFAOYSA-N 0 0 419.153 4.437 20 5 HIBDRN Cc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1[C@H]1CCC[C@H](C)C1 ZINC000535336923 933079360 /nfs/dbraw/zinc/07/93/60/933079360.db2.gz OMLOAXFYYGNPIQ-AHIWAGSCSA-N 0 0 403.508 4.365 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(OCc2cccnc2)c1 ZINC000535349123 933086829 /nfs/dbraw/zinc/08/68/29/933086829.db2.gz HERUDQRUSGJHBX-UHFFFAOYSA-N 0 0 402.410 4.231 20 5 HIBDRN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000535364453 933093536 /nfs/dbraw/zinc/09/35/36/933093536.db2.gz UAFVNMDKXIJTHC-UHFFFAOYSA-N 0 0 420.347 4.235 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000535389663 933109660 /nfs/dbraw/zinc/10/96/60/933109660.db2.gz MOCCRQAZODVUCP-SJLPKXTDSA-N 0 0 414.259 4.053 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccnc(Sc2ccccn2)c1 ZINC000535407494 933121122 /nfs/dbraw/zinc/12/11/22/933121122.db2.gz WHNBVGMUCMKSBF-UHFFFAOYSA-N 0 0 405.439 4.199 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000535432419 933132369 /nfs/dbraw/zinc/13/23/69/933132369.db2.gz UPKDFKXSUUBPOY-UHFFFAOYSA-N 0 0 404.470 4.431 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000535433068 933132497 /nfs/dbraw/zinc/13/24/97/933132497.db2.gz WVIYQQXGZRMMJA-UHFFFAOYSA-N 0 0 403.320 4.152 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1nnc(SCc2ccccc2)s1 ZINC000535456625 933147447 /nfs/dbraw/zinc/14/74/47/933147447.db2.gz IEMSWKQLLSJVCD-UHFFFAOYSA-N 0 0 415.500 4.103 20 5 HIBDRN COc1ccc(C[C@@H](C)C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1 ZINC000535458370 933148786 /nfs/dbraw/zinc/14/87/86/933148786.db2.gz HLURNJOFFYWKSM-CQSZACIVSA-N 0 0 410.392 4.373 20 5 HIBDRN CC(C)c1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c2cnn(C(C)C)c2n1 ZINC000535458059 933149057 /nfs/dbraw/zinc/14/90/57/933149057.db2.gz CIDIEXVIQJUGPR-UHFFFAOYSA-N 0 0 407.434 4.172 20 5 HIBDRN O=C(c1cnc2ccc(F)cc2c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000535458385 933149180 /nfs/dbraw/zinc/14/91/80/933149180.db2.gz HPMYUMZFFMPHSL-UHFFFAOYSA-N 0 0 407.323 4.487 20 5 HIBDRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000535484714 933175216 /nfs/dbraw/zinc/17/52/16/933175216.db2.gz UGZDMLCDPXBGME-GFCCVEGCSA-N 0 0 409.255 4.034 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3cc4c(c(Cl)c3)OCO4)co2)cc1 ZINC000535508009 933201851 /nfs/dbraw/zinc/20/18/51/933201851.db2.gz RLCNMIFCDAKCLD-NDEPHWFRSA-N 0 0 420.830 4.081 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000535522835 933213903 /nfs/dbraw/zinc/21/39/03/933213903.db2.gz BPQIUIJDOGDUSN-IBGZPJMESA-N 0 0 407.426 4.358 20 5 HIBDRN Cn1c2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2nc1C1CC1 ZINC000535522991 933214067 /nfs/dbraw/zinc/21/40/67/933214067.db2.gz BDROLIVXQRVFFY-UHFFFAOYSA-N 0 0 419.485 4.214 20 5 HIBDRN CC(=O)c1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)nc1 ZINC000535524397 933215192 /nfs/dbraw/zinc/21/51/92/933215192.db2.gz MKHIWXAZZKDCLN-UHFFFAOYSA-N 0 0 414.468 4.361 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000535557709 933241762 /nfs/dbraw/zinc/24/17/62/933241762.db2.gz ZPKQZBFCRAEEQH-UHFFFAOYSA-N 0 0 408.426 4.031 20 5 HIBDRN COCCCn1c(C)cc(C(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000535663113 933306961 /nfs/dbraw/zinc/30/69/61/933306961.db2.gz VLAOHCIADPHYJC-UHFFFAOYSA-N 0 0 414.380 4.330 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CSC)c1 ZINC000535667158 933312320 /nfs/dbraw/zinc/31/23/20/933312320.db2.gz UZYNRVZBTKCTLJ-UHFFFAOYSA-N 0 0 420.512 4.365 20 5 HIBDRN Cc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)cc1I ZINC000535679278 933331509 /nfs/dbraw/zinc/33/15/09/933331509.db2.gz HKJSMCCNHKNLAV-UHFFFAOYSA-N 0 0 421.194 4.241 20 5 HIBDRN CCCC(=O)Nc1cccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000535723048 933369161 /nfs/dbraw/zinc/36/91/61/933369161.db2.gz 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CZGRXBNGHLELDL-SUMWQHHRSA-N 0 0 407.373 4.096 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000539047922 938782688 /nfs/dbraw/zinc/78/26/88/938782688.db2.gz ZKVCBANACZJIOF-LBPRGKRZSA-N 0 0 416.279 4.302 20 5 HIBDRN C[C@H](C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000563498777 945205510 /nfs/dbraw/zinc/20/55/10/945205510.db2.gz KTEDBKBXTIKMJJ-HNNXBMFYSA-N 0 0 421.428 4.406 20 5 HIBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000539141892 938810097 /nfs/dbraw/zinc/81/00/97/938810097.db2.gz PNRIDWVXNDRYIM-SJCJKPOMSA-N 0 0 407.264 4.172 20 5 HIBDRN C[C@H](N[C@@H](C)c1ccccc1-n1cccn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539262914 938829569 /nfs/dbraw/zinc/82/95/69/938829569.db2.gz OMEUOOYDLPYIFH-GJZGRUSLSA-N 0 0 404.430 4.242 20 5 HIBDRN Cc1c(CN[C@@H](C)c2cc3c(cc2Br)OCCO3)cccc1[N+](=O)[O-] ZINC000539278458 938832214 /nfs/dbraw/zinc/83/22/14/938832214.db2.gz PQIKXEFNDBDCLZ-LBPRGKRZSA-N 0 0 407.264 4.288 20 5 HIBDRN COc1cc(F)c([C@H](C)N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000539297716 938836168 /nfs/dbraw/zinc/83/61/68/938836168.db2.gz INMLIBYNXRRERJ-RYUDHWBXSA-N 0 0 416.409 4.213 20 5 HIBDRN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000539300676 938836791 /nfs/dbraw/zinc/83/67/91/938836791.db2.gz DVIORHOJPNSZLB-HNNXBMFYSA-N 0 0 410.474 4.458 20 5 HIBDRN C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(N2CCCC2=O)c1 ZINC000539309665 938838523 /nfs/dbraw/zinc/83/85/23/938838523.db2.gz VLURVPBVWCKMHU-OAHLLOKOSA-N 0 0 406.442 4.227 20 5 HIBDRN C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(N2CCCC2=O)c1 ZINC000539309664 938838564 /nfs/dbraw/zinc/83/85/64/938838564.db2.gz VLURVPBVWCKMHU-HNNXBMFYSA-N 0 0 406.442 4.227 20 5 HIBDRN CCOc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2F)C(C)C)c([N+](=O)[O-])c1 ZINC000539326505 938842078 /nfs/dbraw/zinc/84/20/78/938842078.db2.gz OJYMAVZLESGYHR-FQEVSTJZSA-N 0 0 407.417 4.197 20 5 HIBDRN COc1cccc(F)c1[C@H](C)NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000539360766 938848435 /nfs/dbraw/zinc/84/84/35/938848435.db2.gz RMXTYJYQLRSZKL-JTQLQIEISA-N 0 0 400.353 4.203 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000539373190 938850629 /nfs/dbraw/zinc/85/06/29/938850629.db2.gz NHPDVGUBAWYXQQ-ZDUSSCGKSA-N 0 0 421.469 4.382 20 5 HIBDRN O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000539445616 938861644 /nfs/dbraw/zinc/86/16/44/938861644.db2.gz WUXBHGVMNKGLSM-JKSUJKDBSA-N 0 0 416.302 4.152 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000539489826 938867588 /nfs/dbraw/zinc/86/75/88/938867588.db2.gz GIJLNCYAFABTGT-LJQANCHMSA-N 0 0 402.454 4.374 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000539519911 938872659 /nfs/dbraw/zinc/87/26/59/938872659.db2.gz DIJWNGZITSRTPT-VIFPVBQESA-N 0 0 414.311 4.389 20 5 HIBDRN C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc([S@@](C)=O)cc1 ZINC000539529887 938873892 /nfs/dbraw/zinc/87/38/92/938873892.db2.gz FIERJQICHSXNTR-PFUSGODGSA-N 0 0 401.513 4.307 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)nn1-c1ccc(Cl)cc1Cl ZINC000539558649 938879707 /nfs/dbraw/zinc/87/97/07/938879707.db2.gz RWIRSCWLWVMZAD-UHFFFAOYSA-N 0 0 406.229 4.351 20 5 HIBDRN CN(C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C1CCC(C(C)(C)C)CC1 ZINC000539565001 938880915 /nfs/dbraw/zinc/88/09/15/938880915.db2.gz HAQOXOHAYSXBFO-UHFFFAOYSA-N 0 0 403.523 4.108 20 5 HIBDRN Cc1cc(N2CCCC[C@H]2C)ccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000539595719 938885593 /nfs/dbraw/zinc/88/55/93/938885593.db2.gz GZNRJCIURLOUBM-QGZVFWFLSA-N 0 0 417.531 4.266 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000539679202 938899390 /nfs/dbraw/zinc/89/93/90/938899390.db2.gz FYWLURIYRZDANN-KRWDZBQOSA-N 0 0 420.462 4.116 20 5 HIBDRN C[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)cs1 ZINC000539708272 938907829 /nfs/dbraw/zinc/90/78/29/938907829.db2.gz KWNADUZOJHYHDS-CQSZACIVSA-N 0 0 420.498 4.365 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(c2ccccc2F)CC1 ZINC000563558583 945215096 /nfs/dbraw/zinc/21/50/96/945215096.db2.gz UPXAJZANJOIGGZ-UHFFFAOYSA-N 0 0 403.479 4.198 20 5 HIBDRN Cc1cc(C2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000539749076 938919847 /nfs/dbraw/zinc/91/98/47/938919847.db2.gz MHRSLTLQMDONTI-UHFFFAOYSA-N 0 0 405.458 4.390 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000539760514 938926425 /nfs/dbraw/zinc/92/64/25/938926425.db2.gz AQLHNTHYUREXSZ-SNVBAGLBSA-N 0 0 421.379 4.261 20 5 HIBDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000539793953 938936273 /nfs/dbraw/zinc/93/62/73/938936273.db2.gz SNDGZTOSHBFBKN-GFCCVEGCSA-N 0 0 421.906 4.046 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539794771 938936603 /nfs/dbraw/zinc/93/66/03/938936603.db2.gz OFBMPMCBFPNZGA-INIZCTEOSA-N 0 0 402.878 4.426 20 5 HIBDRN COc1cc(CNc2cnn(Cc3ccccc3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000539813725 938940635 /nfs/dbraw/zinc/94/06/35/938940635.db2.gz VROMAXYNPSRXIZ-UHFFFAOYSA-N 0 0 418.400 4.104 20 5 HIBDRN COc1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1OCc1cccnc1 ZINC000539830857 938950688 /nfs/dbraw/zinc/95/06/88/938950688.db2.gz LTTSLIYEKKCPSL-UHFFFAOYSA-N 0 0 405.454 4.136 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3c[nH]c4ccccc43)no2)ccc1[N+](=O)[O-] ZINC000563568905 945219266 /nfs/dbraw/zinc/21/92/66/945219266.db2.gz OGQTVZUEYUCOJR-IBGZPJMESA-N 0 0 417.425 4.412 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(N2CCOC(C)(C)C2)cc1OC ZINC000539927381 938978380 /nfs/dbraw/zinc/97/83/80/938978380.db2.gz QCKGULIRKIGVIF-UHFFFAOYSA-N 0 0 415.490 4.229 20 5 HIBDRN CN(C)[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000539936007 938979249 /nfs/dbraw/zinc/97/92/49/938979249.db2.gz RTQBHXIQXCCIQQ-IBGZPJMESA-N 0 0 424.888 4.343 20 5 HIBDRN COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000539957780 938981233 /nfs/dbraw/zinc/98/12/33/938981233.db2.gz FUPCLNWFXHRYDV-OAQYLSRUSA-N 0 0 405.410 4.383 20 5 HIBDRN Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000539969011 938982378 /nfs/dbraw/zinc/98/23/78/938982378.db2.gz BZFOPFDHCCBZQH-UHFFFAOYSA-N 0 0 400.442 4.217 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(-c3cccnc3)n2C2CC2)cc1OC(F)F ZINC000539991913 939031342 /nfs/dbraw/zinc/03/13/42/939031342.db2.gz YXVMPJSUWCMZLI-UHFFFAOYSA-N 0 0 405.386 4.336 20 5 HIBDRN COc1cc(C(=O)N2CCCCc3cc(Br)ccc32)ccc1[N+](=O)[O-] ZINC000540001130 939035143 /nfs/dbraw/zinc/03/51/43/939035143.db2.gz RSMLUMVBRWGAJC-UHFFFAOYSA-N 0 0 405.248 4.349 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000540013337 939039229 /nfs/dbraw/zinc/03/92/29/939039229.db2.gz OSQGQWGQEJSUCA-XOBRGWDASA-N 0 0 401.438 4.184 20 5 HIBDRN C[C@@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CCO1 ZINC000540025636 939042224 /nfs/dbraw/zinc/04/22/24/939042224.db2.gz YFSIQOYWKONFCJ-CABCVRRESA-N 0 0 417.893 4.405 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540104039 939073231 /nfs/dbraw/zinc/07/32/31/939073231.db2.gz NADKQWYXPHZSQX-APWZRJJASA-N 0 0 409.467 4.226 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540104620 939073481 /nfs/dbraw/zinc/07/34/81/939073481.db2.gz YPFOYXOWJHAGQH-KBMIEXCESA-N 0 0 412.489 4.049 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCO[C@@H](C(C)C)C3)cc2[N+](=O)[O-])n1 ZINC000540123877 939081578 /nfs/dbraw/zinc/08/15/78/939081578.db2.gz WXYFXXCWEPUEJE-GDBMZVCRSA-N 0 0 421.544 4.444 20 5 HIBDRN COc1ccccc1[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000540162166 939097476 /nfs/dbraw/zinc/09/74/76/939097476.db2.gz HTOGUKCZFIEKLS-NYHFZMIOSA-N 0 0 409.442 4.293 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540166512 939098869 /nfs/dbraw/zinc/09/88/69/939098869.db2.gz FOSWFNAJNRSBDP-JTQLQIEISA-N 0 0 413.787 4.469 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000540252331 939170315 /nfs/dbraw/zinc/17/03/15/939170315.db2.gz HMHMLAQEZKHWPH-RDJZCZTQSA-N 0 0 410.854 4.369 20 5 HIBDRN COc1cc(N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c([N+](=O)[O-])cc1F ZINC000563648259 945233339 /nfs/dbraw/zinc/23/33/39/945233339.db2.gz DPVMHOBHUDOWPM-KRWDZBQOSA-N 0 0 416.327 4.219 20 5 HIBDRN O=C(Nc1cc(F)c(Br)c(F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000540419309 939241992 /nfs/dbraw/zinc/24/19/92/939241992.db2.gz WIMPFHATAUJOKY-UHFFFAOYSA-N 0 0 412.190 4.226 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000540437003 939248751 /nfs/dbraw/zinc/24/87/51/939248751.db2.gz OLGSEODPYOXZAL-UHFFFAOYSA-N 0 0 407.879 4.117 20 5 HIBDRN Cc1cc(Br)cc2c1CN(Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000540479052 939268893 /nfs/dbraw/zinc/26/88/93/939268893.db2.gz UPNROLICXVPIIA-UHFFFAOYSA-N 0 0 419.275 4.091 20 5 HIBDRN Cc1ccc([C@H](C)NCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000540480066 939269238 /nfs/dbraw/zinc/26/92/38/939269238.db2.gz GEBQXMHWFPLSES-HNAYVOBHSA-N 0 0 422.441 4.118 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)c2c(OCC)cccc2[N+](=O)[O-])cc1Cl ZINC000540512389 939283182 /nfs/dbraw/zinc/28/31/82/939283182.db2.gz GPDKRUAIZPZVNL-UHFFFAOYSA-N 0 0 405.838 4.039 20 5 HIBDRN O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000540536677 939295160 /nfs/dbraw/zinc/29/51/60/939295160.db2.gz CEWCDLUUNVPANH-QGZVFWFLSA-N 0 0 412.833 4.078 20 5 HIBDRN COCCN(CCCc1ccccc1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540546265 939300530 /nfs/dbraw/zinc/30/05/30/939300530.db2.gz CGFMKRVUCTWWDZ-UHFFFAOYSA-N 0 0 419.481 4.378 20 5 HIBDRN Cc1c(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cnn1-c1cc(C)ccc1C ZINC000540620686 939322039 /nfs/dbraw/zinc/32/20/39/939322039.db2.gz MYVAVKMJTSFILV-UHFFFAOYSA-N 0 0 408.458 4.422 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(C(=O)NC)cc1 ZINC000540691331 939340287 /nfs/dbraw/zinc/34/02/87/939340287.db2.gz BEHVWSYUSYKDEO-UHFFFAOYSA-N 0 0 415.515 4.119 20 5 HIBDRN CC(=O)c1cc(F)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(F)c1 ZINC000540746266 939356472 /nfs/dbraw/zinc/35/64/72/939356472.db2.gz UHZXYEXEYQVXSQ-UHFFFAOYSA-N 0 0 413.174 4.019 20 5 HIBDRN Cc1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)nn1-c1ccccc1Cl ZINC000540751543 939359103 /nfs/dbraw/zinc/35/91/03/939359103.db2.gz HSTSMMHLRWYHBV-UHFFFAOYSA-N 0 0 422.832 4.180 20 5 HIBDRN Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cnn1-c1cccc(Br)c1 ZINC000540750462 939359143 /nfs/dbraw/zinc/35/91/43/939359143.db2.gz CLICXHOXYWRLJL-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000540787027 939371905 /nfs/dbraw/zinc/37/19/05/939371905.db2.gz ZNYQPRRTJPZEHO-UHFFFAOYSA-N 0 0 421.563 4.206 20 5 HIBDRN CC(C)N1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540798948 939376159 /nfs/dbraw/zinc/37/61/59/939376159.db2.gz PZLYLPMYXUCBDW-RXVVDRJESA-N 0 0 419.884 4.270 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540800016 939376729 /nfs/dbraw/zinc/37/67/29/939376729.db2.gz RCVFHCCJXIXZAK-PBHICJAKSA-N 0 0 411.886 4.403 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000540820392 939383399 /nfs/dbraw/zinc/38/33/99/939383399.db2.gz CHXWPWVWLMBTKW-HNNXBMFYSA-N 0 0 401.438 4.335 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnn(Cc3csc(-c4ccc5c(c4)OCO5)n3)c2)c1 ZINC000540859259 939398487 /nfs/dbraw/zinc/39/84/87/939398487.db2.gz YVSGJQVOTLLESP-UHFFFAOYSA-N 0 0 406.423 4.359 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)c1 ZINC000540865178 939402522 /nfs/dbraw/zinc/40/25/22/939402522.db2.gz CVGZPMFCMBBWQN-UHFFFAOYSA-N 0 0 412.254 4.143 20 5 HIBDRN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000540880782 939409075 /nfs/dbraw/zinc/40/90/75/939409075.db2.gz XPENOHMARWNLRW-UHFFFAOYSA-N 0 0 414.874 4.274 20 5 HIBDRN COc1ccc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000541061689 939445463 /nfs/dbraw/zinc/44/54/63/939445463.db2.gz GMEMMXKXQPATHD-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CCSc1ccc(Cl)cc1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000541126447 939469909 /nfs/dbraw/zinc/46/99/09/939469909.db2.gz RWJMOBFVCXSPOD-UHFFFAOYSA-N 0 0 407.879 4.037 20 5 HIBDRN C[C@H](Cc1cccc(Br)c1)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000541263228 939488267 /nfs/dbraw/zinc/48/82/67/939488267.db2.gz GGPNJBAOUDAVCU-GFCCVEGCSA-N 0 0 409.305 4.197 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccccc1OC(F)F ZINC000541264211 939488368 /nfs/dbraw/zinc/48/83/68/939488368.db2.gz XURQJPQHANJYPM-UHFFFAOYSA-N 0 0 402.806 4.258 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000541276603 939488961 /nfs/dbraw/zinc/48/89/61/939488961.db2.gz WTUHGVBTWVYHHM-CQSZACIVSA-N 0 0 408.907 4.248 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000541295173 939489791 /nfs/dbraw/zinc/48/97/91/939489791.db2.gz ULVOCJUZILUSKN-UHFFFAOYSA-N 0 0 411.277 4.487 20 5 HIBDRN CC1(C)C(=O)Nc2ccc(C(=O)COc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc21 ZINC000541296492 939489886 /nfs/dbraw/zinc/48/98/86/939489886.db2.gz BWCGXKFBSOYVNC-UHFFFAOYSA-N 0 0 408.332 4.105 20 5 HIBDRN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000541327695 939491064 /nfs/dbraw/zinc/49/10/64/939491064.db2.gz WCSCCBRLODSCHO-QRWLVFNGSA-N 0 0 420.387 4.381 20 5 HIBDRN COc1ccc(C2(CNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC000541369892 939498867 /nfs/dbraw/zinc/49/88/67/939498867.db2.gz VRIXNSMSAOVCML-OAHLLOKOSA-N 0 0 400.500 4.322 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000541407441 939507632 /nfs/dbraw/zinc/50/76/32/939507632.db2.gz XKVVGCHXIYPIMV-UHFFFAOYSA-N 0 0 401.875 4.407 20 5 HIBDRN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000541508835 939540066 /nfs/dbraw/zinc/54/00/66/939540066.db2.gz LPOCZWPKRCEGJX-WBMJQRKESA-N 0 0 406.385 4.428 20 5 HIBDRN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000541508832 939540089 /nfs/dbraw/zinc/54/00/89/939540089.db2.gz LPOCZWPKRCEGJX-LRDDRELGSA-N 0 0 406.385 4.428 20 5 HIBDRN CCc1ccc([C@H](NCc2cccc(C(=O)N(C)C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541550719 939552930 /nfs/dbraw/zinc/55/29/30/939552930.db2.gz GZBDISNUBUHQRC-JOCHJYFZSA-N 0 0 407.470 4.331 20 5 HIBDRN CCc1ccc([C@@H](NCc2cccc(C(=O)N(C)C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541550720 939553102 /nfs/dbraw/zinc/55/31/02/939553102.db2.gz GZBDISNUBUHQRC-QFIPXVFZSA-N 0 0 407.470 4.331 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541581468 939559939 /nfs/dbraw/zinc/55/99/39/939559939.db2.gz BLEBBXKCJCOZPB-CYBMUJFWSA-N 0 0 402.422 4.360 20 5 HIBDRN CCC(=O)N[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541608414 939568548 /nfs/dbraw/zinc/56/85/48/939568548.db2.gz RKANPCNUBNRDIH-INIZCTEOSA-N 0 0 419.547 4.008 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000541614989 939571190 /nfs/dbraw/zinc/57/11/90/939571190.db2.gz ZIHDGAGSXRCBEI-CYBMUJFWSA-N 0 0 401.438 4.395 20 5 HIBDRN CN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541635832 939578870 /nfs/dbraw/zinc/57/88/70/939578870.db2.gz HTFGSYWPDYQRDF-AEFFLSMTSA-N 0 0 404.463 4.205 20 5 HIBDRN CN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541635833 939579064 /nfs/dbraw/zinc/57/90/64/939579064.db2.gz HTFGSYWPDYQRDF-FUHWJXTLSA-N 0 0 404.463 4.205 20 5 HIBDRN CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541637134 939579545 /nfs/dbraw/zinc/57/95/45/939579545.db2.gz NOUJLVSCACLNDV-MJGOQNOKSA-N 0 0 404.463 4.205 20 5 HIBDRN CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541637135 939579590 /nfs/dbraw/zinc/57/95/90/939579590.db2.gz NOUJLVSCACLNDV-PKOBYXMFSA-N 0 0 404.463 4.205 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)cc1[N+](=O)[O-] ZINC000541698543 939608182 /nfs/dbraw/zinc/60/81/82/939608182.db2.gz SGGVECAMQXGMNZ-JTQLQIEISA-N 0 0 411.792 4.310 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)cc1[N+](=O)[O-] ZINC000541698544 939608219 /nfs/dbraw/zinc/60/82/19/939608219.db2.gz SGGVECAMQXGMNZ-SNVBAGLBSA-N 0 0 411.792 4.310 20 5 HIBDRN C[C@@H](C(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541708636 939611102 /nfs/dbraw/zinc/61/11/02/939611102.db2.gz DCKASRVSZYKBKS-ZBFHGGJFSA-N 0 0 423.448 4.029 20 5 HIBDRN C[C@H](C(=O)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541720326 939614178 /nfs/dbraw/zinc/61/41/78/939614178.db2.gz RGYFFZLPQVJZTJ-XJKSGUPXSA-N 0 0 402.397 4.241 20 5 HIBDRN C[C@@H](C(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541720321 939614195 /nfs/dbraw/zinc/61/41/95/939614195.db2.gz RGYFFZLPQVJZTJ-CJNGLKHVSA-N 0 0 402.397 4.241 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1CN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000541771390 939626482 /nfs/dbraw/zinc/62/64/82/939626482.db2.gz NBLVOXQXCRMXAB-UHFFFAOYSA-N 0 0 402.882 4.296 20 5 HIBDRN O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541775731 939627519 /nfs/dbraw/zinc/62/75/19/939627519.db2.gz GCABVNXUWAMKOO-UHFFFAOYSA-N 0 0 424.486 4.310 20 5 HIBDRN COCC(=O)N1CCc2c1cccc2N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000541777115 939627864 /nfs/dbraw/zinc/62/78/64/939627864.db2.gz WGLVVUHLXZQOJG-DEOSSOPVSA-N 0 0 417.465 4.332 20 5 HIBDRN CCCC(=O)Nc1ccc(C(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)cc1 ZINC000541781962 939628700 /nfs/dbraw/zinc/62/87/00/939628700.db2.gz UDMNQVAJBZABTF-UHFFFAOYSA-N 0 0 400.822 4.219 20 5 HIBDRN O=C(NCc1cccc(NC(=O)c2ccccc2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541785013 939629732 /nfs/dbraw/zinc/62/97/32/939629732.db2.gz BGTYNKOYJSHHSF-UHFFFAOYSA-N 0 0 408.389 4.308 20 5 HIBDRN COC(=O)c1cccc(Cc2cnc(NCc3ccc(OC)c([N+](=O)[O-])c3)s2)c1 ZINC000541834956 939644793 /nfs/dbraw/zinc/64/47/93/939644793.db2.gz UITURBBWSNTOAS-UHFFFAOYSA-N 0 0 413.455 4.049 20 5 HIBDRN O=C(c1csc2ccccc12)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000541843585 939645995 /nfs/dbraw/zinc/64/59/95/939645995.db2.gz CYGTVPHNWOHBPN-UHFFFAOYSA-N 0 0 421.482 4.038 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000541907709 939651395 /nfs/dbraw/zinc/65/13/95/939651395.db2.gz DBCORDVZLNATSG-UHFFFAOYSA-N 0 0 421.457 4.164 20 5 HIBDRN O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541929623 939656767 /nfs/dbraw/zinc/65/67/67/939656767.db2.gz AEHYKTUBQPZBAC-UHFFFAOYSA-N 0 0 424.360 4.030 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc(COc3ccccc3Cl)n2C)n1 ZINC000541934976 939657515 /nfs/dbraw/zinc/65/75/15/939657515.db2.gz CWJGNDUZTOHQBW-UHFFFAOYSA-N 0 0 405.867 4.119 20 5 HIBDRN COc1ccc(NC(=O)CCOc2ccc(C)cc2Br)cc1[N+](=O)[O-] ZINC000542003473 939678884 /nfs/dbraw/zinc/67/88/84/939678884.db2.gz ZZABVVHNZGZSLE-UHFFFAOYSA-N 0 0 409.236 4.082 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000542008123 939683404 /nfs/dbraw/zinc/68/34/04/939683404.db2.gz NFYOSUXYSRDUCB-RBAQFSTRSA-N 0 0 411.502 4.335 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542009072 939683433 /nfs/dbraw/zinc/68/34/33/939683433.db2.gz ZTEFUDVIZSCYBN-NSHDSACASA-N 0 0 417.775 4.333 20 5 HIBDRN COc1ccc(NC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000542027942 939691997 /nfs/dbraw/zinc/69/19/97/939691997.db2.gz FOEIYABKRQMOGE-CQSZACIVSA-N 0 0 405.279 4.307 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Sc2nnc(COc3ccc(Cl)cc3)o2)c1 ZINC000542047079 939698681 /nfs/dbraw/zinc/69/86/81/939698681.db2.gz JWQFTTOOJZYMMZ-UHFFFAOYSA-N 0 0 421.818 4.148 20 5 HIBDRN Cc1sc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000542063876 939701955 /nfs/dbraw/zinc/70/19/55/939701955.db2.gz 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O=C(CSc1ccccc1[N+](=O)[O-])NCC1(c2ccccc2Cl)CCOCC1 ZINC000542216271 939761371 /nfs/dbraw/zinc/76/13/71/939761371.db2.gz IYYVSBCQSHVWSP-UHFFFAOYSA-N 0 0 420.918 4.205 20 5 HIBDRN Cc1c(Br)c(=O)n(Cc2csc(-c3ccccc3F)n2)cc1[N+](=O)[O-] ZINC000542220219 939762932 /nfs/dbraw/zinc/76/29/32/939762932.db2.gz XOCWWODJQJIFRK-UHFFFAOYSA-N 0 0 424.251 4.138 20 5 HIBDRN Cc1ccc2oc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)nc2n1 ZINC000542220515 939762960 /nfs/dbraw/zinc/76/29/60/939762960.db2.gz CQKSSVGIAREHHU-UHFFFAOYSA-N 0 0 412.349 4.189 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000542223500 939763781 /nfs/dbraw/zinc/76/37/81/939763781.db2.gz UYOCHVQIJMCRNV-UHFFFAOYSA-N 0 0 407.757 4.098 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000542234494 939768821 /nfs/dbraw/zinc/76/88/21/939768821.db2.gz JYLITCIPNHUQCD-UHFFFAOYSA-N 0 0 403.851 4.073 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000542245256 939771744 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ZINC000546353078 940799618 /nfs/dbraw/zinc/79/96/18/940799618.db2.gz UJNJIZSBGWRTOA-UHFFFAOYSA-N 0 0 421.356 4.148 20 5 HIBDRN COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)cc1OC(F)F ZINC000546355220 940800062 /nfs/dbraw/zinc/80/00/62/940800062.db2.gz LOYZUPXBWPUBPI-UHFFFAOYSA-N 0 0 411.748 4.499 20 5 HIBDRN O=[N+]([O-])c1ccccc1/C=C\c1nc(Cc2ccc(Oc3ncccn3)cc2)no1 ZINC000546355028 940800172 /nfs/dbraw/zinc/80/01/72/940800172.db2.gz AIXOILGBMLZNQP-FLIBITNWSA-N 0 0 401.382 4.321 20 5 HIBDRN O=c1cc(-c2nc(Cc3c[nH]c4cc(F)ccc34)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000546391627 940808723 /nfs/dbraw/zinc/80/87/23/940808723.db2.gz VBPJEKPTMSBANU-UHFFFAOYSA-N 0 0 405.345 4.110 20 5 HIBDRN Cc1ccc(-n2cnnc2SCc2nc(-c3ccc([N+](=O)[O-])cc3C)no2)cc1C ZINC000546403116 940812084 /nfs/dbraw/zinc/81/20/84/940812084.db2.gz YUIGEUHCUHDQJX-UHFFFAOYSA-N 0 0 422.470 4.443 20 5 HIBDRN COc1c(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cnc2ccccc21 ZINC000546432455 940819043 /nfs/dbraw/zinc/81/90/43/940819043.db2.gz UVPYXTOJLCQVEZ-UHFFFAOYSA-N 0 0 414.381 4.054 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(Cc3cc(Cl)ccc3Cl)no2)ccc1-n1cncn1 ZINC000546435153 940819327 /nfs/dbraw/zinc/81/93/27/940819327.db2.gz NFRRUDXJYUQEIR-UHFFFAOYSA-N 0 0 417.212 4.123 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(C(F)(F)c3ccccc3)n2)c(Br)c1 ZINC000546449723 940822712 /nfs/dbraw/zinc/82/27/12/940822712.db2.gz WMROGYHZDRWPQH-UHFFFAOYSA-N 0 0 410.174 4.471 20 5 HIBDRN COc1cc(Cc2noc(-c3cnc(OCC4CC4)c(Cl)c3)n2)ccc1[N+](=O)[O-] ZINC000546472330 940829697 /nfs/dbraw/zinc/82/96/97/940829697.db2.gz IVJBACWFUSBDPL-UHFFFAOYSA-N 0 0 416.821 4.081 20 5 HIBDRN Cc1c(Cc2noc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cccc1[N+](=O)[O-] ZINC000546489266 940834505 /nfs/dbraw/zinc/83/45/05/940834505.db2.gz ALVSURDDAWBZGL-KRWDZBQOSA-N 0 0 424.432 4.036 20 5 HIBDRN Cc1cc(Cc2noc(COc3ccc(Br)cc3F)n2)ccc1[N+](=O)[O-] ZINC000546489437 940834585 /nfs/dbraw/zinc/83/45/85/940834585.db2.gz ZJNDPSRNQVGTEX-UHFFFAOYSA-N 0 0 422.210 4.358 20 5 HIBDRN COC(=O)c1ccc(/C=C/c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 ZINC000546493847 940835861 /nfs/dbraw/zinc/83/58/61/940835861.db2.gz GOEIEEDZIWFTNR-RUDMXATFSA-N 0 0 404.382 4.007 20 5 HIBDRN COCCOc1ccc(Cc2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1 ZINC000546494558 940835926 /nfs/dbraw/zinc/83/59/26/940835926.db2.gz JIFSEHVOMZYCLF-UHFFFAOYSA-N 0 0 423.347 4.280 20 5 HIBDRN Cc1cc(Cc2noc([C@@]3(C)CCCN3C(=O)c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000546494373 940836030 /nfs/dbraw/zinc/83/60/30/940836030.db2.gz NUGJVBYRBYSHEX-JOCHJYFZSA-N 0 0 406.442 4.028 20 5 HIBDRN CC(C)(C(=O)NCc1cc(F)cc(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000546536960 940846720 /nfs/dbraw/zinc/84/67/20/940846720.db2.gz YYHISCBYHTUKPR-UHFFFAOYSA-N 0 0 413.218 4.230 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000546537346 940847050 /nfs/dbraw/zinc/84/70/50/940847050.db2.gz JUZLYCFHSLBNGQ-MGPUTAFESA-N 0 0 400.450 4.309 20 5 HIBDRN CCCOc1ccc2c(c1)CCN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000546538887 940847259 /nfs/dbraw/zinc/84/72/59/940847259.db2.gz QXYISBNIJUMDLQ-UHFFFAOYSA-N 0 0 400.450 4.385 20 5 HIBDRN C[C@@H](c1noc(COc2ccccc2[N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000546546698 940849195 /nfs/dbraw/zinc/84/91/95/940849195.db2.gz WSWRFXUIQXVDRS-LLVKDONJSA-N 0 0 404.220 4.471 20 5 HIBDRN O=[N+]([O-])c1ccc(/C=C\c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)cc1 ZINC000546547712 940849557 /nfs/dbraw/zinc/84/95/57/940849557.db2.gz JPEHKNGICLUYKP-TWGQIWQCSA-N 0 0 409.352 4.203 20 5 HIBDRN CSc1cccc(N2C[C@H](c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)CC2=O)c1 ZINC000546558836 940852576 /nfs/dbraw/zinc/85/25/76/940852576.db2.gz BTSKZWYCDIPHFX-OAHLLOKOSA-N 0 0 424.482 4.119 20 5 HIBDRN Cc1nn(CC(C)C)c(C)c1Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000546559787 940852910 /nfs/dbraw/zinc/85/29/10/940852910.db2.gz ILUYXUUZYGMWCB-UHFFFAOYSA-N 0 0 408.462 4.110 20 5 HIBDRN CCc1cc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000546612211 940861152 /nfs/dbraw/zinc/86/11/52/940861152.db2.gz QQYRAELOXBTTCQ-UHFFFAOYSA-N 0 0 411.368 4.194 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546799622 940885609 /nfs/dbraw/zinc/88/56/09/940885609.db2.gz XBNMZFSWXUSUOV-CQSZACIVSA-N 0 0 417.512 4.207 20 5 HIBDRN COc1ccccc1C1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC1 ZINC000546842880 940892741 /nfs/dbraw/zinc/89/27/41/940892741.db2.gz ZNFFODXJUIQZAP-UHFFFAOYSA-N 0 0 406.385 4.057 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)o2)c(Cl)c1 ZINC000546905120 940907942 /nfs/dbraw/zinc/90/79/42/940907942.db2.gz KFMRXMMVMZFUAB-UHFFFAOYSA-N 0 0 412.877 4.221 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NC2CC(C(F)(F)F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000564033528 945359255 /nfs/dbraw/zinc/35/92/55/945359255.db2.gz CHPKJFYZOGQCBF-XGNXJENSSA-N 0 0 408.380 4.234 20 5 HIBDRN Cc1cc(=O)c(-c2nc(-c3ccc(C(C)C)cc3)no2)nn1-c1ccccc1[N+](=O)[O-] ZINC000546936802 940918567 /nfs/dbraw/zinc/91/85/67/940918567.db2.gz WMKPPFIHJKZLAG-UHFFFAOYSA-N 0 0 417.425 4.290 20 5 HIBDRN CCCOc1c(Cl)cc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)cc1OC ZINC000546955044 940926201 /nfs/dbraw/zinc/92/62/01/940926201.db2.gz UZDKAFKCYZOKRR-UHFFFAOYSA-N 0 0 404.810 4.466 20 5 HIBDRN COc1cc(OCc2nc(Cc3cccc(C(F)(F)F)c3)no2)ccc1[N+](=O)[O-] ZINC000546961404 940928328 /nfs/dbraw/zinc/92/83/28/940928328.db2.gz JWZQAEBHVVZAQX-UHFFFAOYSA-N 0 0 409.320 4.175 20 5 HIBDRN O=C(NCc1ccco1)c1cccc(-c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)c1 ZINC000546976566 940934326 /nfs/dbraw/zinc/93/43/26/940934326.db2.gz FJDNFUBYGRPUJC-ZHACJKMWSA-N 0 0 416.393 4.338 20 5 HIBDRN Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)n2)cc1[N+](=O)[O-] ZINC000546983524 940938695 /nfs/dbraw/zinc/93/86/95/940938695.db2.gz GFJUZXLRWTVVQL-GFCCVEGCSA-N 0 0 416.796 4.266 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000564042477 945361844 /nfs/dbraw/zinc/36/18/44/945361844.db2.gz WLVDHUQKPDOUBA-GDLZYMKVSA-N 0 0 409.467 4.224 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nc(CC(F)(F)F)no2)CC1 ZINC000546993815 940946975 /nfs/dbraw/zinc/94/69/75/940946975.db2.gz NZVYJYIDTWEXOH-UHFFFAOYSA-N 0 0 424.301 4.485 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(N(C)c3ccccc3)nc2)c(C)c([N+](=O)[O-])c1 ZINC000564047939 945362751 /nfs/dbraw/zinc/36/27/51/945362751.db2.gz PJAAVKFRQHAAOH-UHFFFAOYSA-N 0 0 420.425 4.105 20 5 HIBDRN CC(C)NC(=O)Nc1cccc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000547048885 940973880 /nfs/dbraw/zinc/97/38/80/940973880.db2.gz MOWFZYJBUIXADX-UHFFFAOYSA-N 0 0 417.372 4.315 20 5 HIBDRN CCOc1ccc(SCc2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1 ZINC000547083418 940988520 /nfs/dbraw/zinc/98/85/20/940988520.db2.gz PNAJQNRDXMXLJW-UHFFFAOYSA-N 0 0 400.460 4.323 20 5 HIBDRN COc1ccc(-c2ncc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)s2)cc1 ZINC000547085758 940989015 /nfs/dbraw/zinc/98/90/15/940989015.db2.gz FSIMLRAEDZGHNL-UHFFFAOYSA-N 0 0 423.454 4.432 20 5 HIBDRN COc1ccc(Cc2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1OC(F)F ZINC000547089512 940991198 /nfs/dbraw/zinc/99/11/98/940991198.db2.gz DXSDBJIRVSNHAP-SOFGYWHQSA-N 0 0 403.341 4.349 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1-c1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000547096004 940994204 /nfs/dbraw/zinc/99/42/04/940994204.db2.gz KZZUETAHCLNKDR-UHFFFAOYSA-N 0 0 418.203 4.035 20 5 HIBDRN COc1cc(C(C)=O)ccc1OCCCc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000547109302 941000333 /nfs/dbraw/zinc/00/03/33/941000333.db2.gz SKZPJGNWGVHPPJ-UHFFFAOYSA-N 0 0 411.414 4.176 20 5 HIBDRN COc1cc(Cc2noc(-c3cnn(CC(C)C)c3C(F)F)n2)ccc1[N+](=O)[O-] ZINC000547171338 941020406 /nfs/dbraw/zinc/02/04/06/941020406.db2.gz DNKIGLIKVXKCSM-UHFFFAOYSA-N 0 0 407.377 4.034 20 5 HIBDRN Cc1cc2c[nH]nc2c(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 ZINC000547176097 941022023 /nfs/dbraw/zinc/02/20/23/941022023.db2.gz WXYAZQBUJOPQDF-UHFFFAOYSA-N 0 0 414.219 4.183 20 5 HIBDRN Cc1c(Br)c(N2CCCC[C@H]2c2nnc(C3CCC3)o2)ncc1[N+](=O)[O-] ZINC000564063222 945368212 /nfs/dbraw/zinc/36/82/12/945368212.db2.gz DLGVZFXLFHCZIC-LBPRGKRZSA-N 0 0 422.283 4.443 20 5 HIBDRN CC(=O)c1cccc(O[C@@H](C)c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000547196783 941028640 /nfs/dbraw/zinc/02/86/40/941028640.db2.gz UHYOYFBMNGCIEB-ZDUSSCGKSA-N 0 0 406.398 4.393 20 5 HIBDRN COc1ccccc1C[C@@H](C)Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000547197922 941029006 /nfs/dbraw/zinc/02/90/06/941029006.db2.gz PQIYMFHVOHNLBB-CQSZACIVSA-N 0 0 406.442 4.480 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4cccc(OCC(F)(F)F)n4)n3)c2c1 ZINC000547200030 941029931 /nfs/dbraw/zinc/02/99/31/941029931.db2.gz JHKPZVCLFSWYOS-UHFFFAOYSA-N 0 0 419.319 4.053 20 5 HIBDRN CS[C@@H]1C(=O)Nc2ccc(-c3noc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)n3)cc21 ZINC000547208736 941032666 /nfs/dbraw/zinc/03/26/66/941032666.db2.gz AVKCKZIIQJJXSY-SFHVURJKSA-N 0 0 421.438 4.073 20 5 HIBDRN CC(C)(C)c1nc(Cc2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cs1 ZINC000547213980 941034351 /nfs/dbraw/zinc/03/43/51/941034351.db2.gz UECIQGYUUQYCGW-UHFFFAOYSA-N 0 0 410.459 4.175 20 5 HIBDRN 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FHQHFIHJJOAMPE-UHFFFAOYSA-N 0 0 404.451 4.324 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1(C(F)(F)F)CC1 ZINC000552336124 941636400 /nfs/dbraw/zinc/63/64/00/941636400.db2.gz PTNRWIWGPSVXRU-UHFFFAOYSA-N 0 0 402.316 4.164 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000552368247 941646861 /nfs/dbraw/zinc/64/68/61/941646861.db2.gz UDXCPIAICMQPAW-UHFFFAOYSA-N 0 0 410.499 4.288 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC1(c2ccc(Cl)cc2)CCC1 ZINC000552369419 941647167 /nfs/dbraw/zinc/64/71/67/941647167.db2.gz IWZZREAFJSKEDL-UHFFFAOYSA-N 0 0 411.845 4.371 20 5 HIBDRN COc1ccc(Cn2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cn2)cc1 ZINC000552459471 941676339 /nfs/dbraw/zinc/67/63/39/941676339.db2.gz WOFSIAJRYURBRX-UHFFFAOYSA-N 0 0 408.439 4.315 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000552591395 941716123 /nfs/dbraw/zinc/71/61/23/941716123.db2.gz XJUFYTMWCJZZCF-INIZCTEOSA-N 0 0 400.397 4.253 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cnc2ccccc2c1C(F)(F)F ZINC000552717362 941744087 /nfs/dbraw/zinc/74/40/87/941744087.db2.gz FVSZUUORMRKMPH-UHFFFAOYSA-N 0 0 403.360 4.477 20 5 HIBDRN O=C(CCc1cc2ccccc2[nH]c1=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552741191 941749407 /nfs/dbraw/zinc/74/94/07/941749407.db2.gz BRLPPNCBWLXUPG-UHFFFAOYSA-N 0 0 416.231 4.182 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1[N+](=O)[O-] ZINC000552745692 941751135 /nfs/dbraw/zinc/75/11/35/941751135.db2.gz UUOFXGJEMLEDKC-UHFFFAOYSA-N 0 0 411.458 4.400 20 5 HIBDRN CC(C)(C)Oc1cc(NCCCS(=O)(=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000552779524 941759740 /nfs/dbraw/zinc/75/97/40/941759740.db2.gz IJMWMLUCCLSHJV-UHFFFAOYSA-N 0 0 406.504 4.189 20 5 HIBDRN COc1cc(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c([N+](=O)[O-])cc1OC ZINC000552793750 941765154 /nfs/dbraw/zinc/76/51/54/941765154.db2.gz ALPUSOCUXNCAFA-HXUWFJFHSA-N 0 0 420.412 4.314 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000552827329 941779718 /nfs/dbraw/zinc/77/97/18/941779718.db2.gz QIJGLVBWXLZGJY-UGSOOPFHSA-N 0 0 408.376 4.145 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)cc([N+](=O)[O-])c1 ZINC000552875047 941795607 /nfs/dbraw/zinc/79/56/07/941795607.db2.gz BCLHNBWVUWRXMM-UHFFFAOYSA-N 0 0 405.410 4.394 20 5 HIBDRN CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(C(=O)N2[C@@H](C)CC[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000552879971 941797449 /nfs/dbraw/zinc/79/74/49/941797449.db2.gz LWXUKQYYVMZLAJ-ONIAQPFYSA-N 0 0 401.507 4.401 20 5 HIBDRN CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C(=O)N2[C@H](CC)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000552879968 941797462 /nfs/dbraw/zinc/79/74/62/941797462.db2.gz LWXUKQYYVMZLAJ-BURFUSLBSA-N 0 0 401.507 4.401 20 5 HIBDRN Cc1ccc(NC(=O)N2CCc3cc(Br)cc(F)c3C2)cc1[N+](=O)[O-] ZINC000552977131 941811532 /nfs/dbraw/zinc/81/15/32/941811532.db2.gz DKXCBEBXFGMMCS-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2NCC2(c3cccc(Cl)c3)CCOCC2)s1 ZINC000552999356 941813687 /nfs/dbraw/zinc/81/36/87/941813687.db2.gz AMGQKFIPMYPNHG-UHFFFAOYSA-N 0 0 404.879 4.413 20 5 HIBDRN O=C(NCc1c(F)cccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000553018585 941817445 /nfs/dbraw/zinc/81/74/45/941817445.db2.gz NMTXKFBLXLRYPS-UHFFFAOYSA-N 0 0 422.254 4.027 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(F)cccc1N1CCCC1 ZINC000553020600 941818639 /nfs/dbraw/zinc/81/86/39/941818639.db2.gz AAOYAZQFPSEJDN-UHFFFAOYSA-N 0 0 403.479 4.376 20 5 HIBDRN CC(C)Cn1ncc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1-c1ccccc1 ZINC000553059309 941826082 /nfs/dbraw/zinc/82/60/82/941826082.db2.gz JHWBPIIPYQCNOF-UHFFFAOYSA-N 0 0 406.486 4.429 20 5 HIBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1cccc(Oc2ccc3ccccc3c2)c1 ZINC000553061981 941826495 /nfs/dbraw/zinc/82/64/95/941826495.db2.gz XAOYSMWSFJFDLG-UHFFFAOYSA-N 0 0 402.410 4.053 20 5 HIBDRN CC[C@@](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])(C(=O)OC)c1ccc(Cl)cc1 ZINC000553135471 941838252 /nfs/dbraw/zinc/83/82/52/941838252.db2.gz GRWPBXQZSOABTE-SFHVURJKSA-N 0 0 411.241 4.110 20 5 HIBDRN COC(=O)C(C)(C)CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000553170583 941844072 /nfs/dbraw/zinc/84/40/72/941844072.db2.gz LNEJIXXJEVZVAV-UHFFFAOYSA-N 0 0 402.472 4.065 20 5 HIBDRN CCOC(=O)C(C)(C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC)CC1 ZINC000553190484 941846930 /nfs/dbraw/zinc/84/69/30/941846930.db2.gz UYPOQEIHXPSUGT-UHFFFAOYSA-N 0 0 408.520 4.148 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000553223306 941852266 /nfs/dbraw/zinc/85/22/66/941852266.db2.gz ZLNBMCKKFTYIOP-AZUAARDMSA-N 0 0 412.486 4.242 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@H]2CSc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000553230094 941853114 /nfs/dbraw/zinc/85/31/14/941853114.db2.gz LBFXLECGBZMGAZ-LBPRGKRZSA-N 0 0 424.276 4.106 20 5 HIBDRN Cc1cc(Oc2ncnc(CC(C)C)c2I)ccc1[N+](=O)[O-] ZINC000553250896 941856639 /nfs/dbraw/zinc/85/66/39/941856639.db2.gz SAHTUIBSFQBGND-UHFFFAOYSA-N 0 0 413.215 4.289 20 5 HIBDRN Cn1cc(C(=O)NCC(F)(F)c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553257474 941857425 /nfs/dbraw/zinc/85/74/25/941857425.db2.gz APRVSQBIMVAINT-UHFFFAOYSA-N 0 0 420.803 4.171 20 5 HIBDRN O=C(Nc1cc(F)c(Br)c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000553298522 941863195 /nfs/dbraw/zinc/86/31/95/941863195.db2.gz YPJLYZKUBWEBRT-UHFFFAOYSA-N 0 0 417.574 4.131 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000553332307 941868964 /nfs/dbraw/zinc/86/89/64/941868964.db2.gz WZRNUPKKIUGKFG-LLVKDONJSA-N 0 0 413.352 4.199 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000553372911 941875134 /nfs/dbraw/zinc/87/51/34/941875134.db2.gz IGARCEMOHWSIPV-RQTOMXEWSA-N 0 0 424.500 4.326 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000553372913 941875235 /nfs/dbraw/zinc/87/52/35/941875235.db2.gz IGARCEMOHWSIPV-TZBSWOFLSA-N 0 0 424.500 4.326 20 5 HIBDRN CO[C@@H](C)CN(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000553374701 941875412 /nfs/dbraw/zinc/87/54/12/941875412.db2.gz HIRWGLCKEMJLQI-LBPRGKRZSA-N 0 0 417.512 4.463 20 5 HIBDRN COc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000553381315 941876882 /nfs/dbraw/zinc/87/68/82/941876882.db2.gz TXCMXLZYDRKAKO-KZULUSFZSA-N 0 0 424.375 4.224 20 5 HIBDRN C[C@@H](C(=O)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000553414782 941881365 /nfs/dbraw/zinc/88/13/65/941881365.db2.gz LEAZQMXZQBPEHD-RIPJAXHCSA-N 0 0 408.376 4.232 20 5 HIBDRN Cc1cc2cc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2n(C)c1=O ZINC000553566639 941910579 /nfs/dbraw/zinc/91/05/79/941910579.db2.gz SHBQAQJKMGYWFH-UHFFFAOYSA-N 0 0 420.450 4.131 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNCc3ccccc3Cn3ccnc3)cs2)c1 ZINC000553576022 941912549 /nfs/dbraw/zinc/91/25/49/941912549.db2.gz VVQFSTUGSQQILZ-UHFFFAOYSA-N 0 0 405.483 4.253 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000553709010 941948636 /nfs/dbraw/zinc/94/86/36/941948636.db2.gz VXHMWFKUMVYDDK-SFHVURJKSA-N 0 0 423.513 4.115 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000553709009 941948649 /nfs/dbraw/zinc/94/86/49/941948649.db2.gz VXHMWFKUMVYDDK-GOSISDBHSA-N 0 0 423.513 4.115 20 5 HIBDRN C[C@@H](CCOCc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000553742872 941957545 /nfs/dbraw/zinc/95/75/45/941957545.db2.gz JZKPVCPXOOCUAD-AWEZNQCLSA-N 0 0 421.291 4.011 20 5 HIBDRN C[C@H](C(=O)NC1(Cc2ccccc2Br)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000553786489 941968457 /nfs/dbraw/zinc/96/84/57/941968457.db2.gz JFZOMRBPAZXIOW-LBPRGKRZSA-N 0 0 421.266 4.491 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N(C)Cc2nncn2C(C)C)cc1[N+](=O)[O-] ZINC000553973272 942010853 /nfs/dbraw/zinc/01/08/53/942010853.db2.gz OHGYNKMHBAARNO-UHFFFAOYSA-N 0 0 405.524 4.178 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2ccc(Oc3ccccc3OC)c(F)c2)c1[N+](=O)[O-] ZINC000554073847 942030033 /nfs/dbraw/zinc/03/00/33/942030033.db2.gz IJHYPFRYFIRCST-UHFFFAOYSA-N 0 0 400.366 4.073 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000554104543 942036980 /nfs/dbraw/zinc/03/69/80/942036980.db2.gz IGWCOQHMXFEVEP-NRFANRHFSA-N 0 0 421.501 4.346 20 5 HIBDRN CCOc1cc(C(=O)N2CCCn3c(cc4ccccc43)C2)c([N+](=O)[O-])cc1OC ZINC000554115890 942039996 /nfs/dbraw/zinc/03/99/96/942039996.db2.gz WOIVWVZEUMBMFS-UHFFFAOYSA-N 0 0 409.442 4.003 20 5 HIBDRN Cn1ccnc1[C@@H](N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000554120007 942041044 /nfs/dbraw/zinc/04/10/44/942041044.db2.gz IDGYNPOGLXWEAG-HBMCJLEFSA-N 0 0 406.486 4.253 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1[N+](=O)[O-] ZINC000554130779 942044465 /nfs/dbraw/zinc/04/44/65/942044465.db2.gz SSDORPKKSGZDAU-VIFPVBQESA-N 0 0 419.894 4.457 20 5 HIBDRN CCc1ccc([C@@H]2CCN(C(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC000554155297 942051827 /nfs/dbraw/zinc/05/18/27/942051827.db2.gz HVTFIYXBVWWWCJ-OAHLLOKOSA-N 0 0 420.412 4.397 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC2(CCCC2)c2c1cccc2F ZINC000554162421 942053199 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419.884 4.300 20 5 HIBDRN O=C(CCC(F)(F)F)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000561436001 944596816 /nfs/dbraw/zinc/59/68/16/944596816.db2.gz GMACHCKBZGCNCJ-SNVBAGLBSA-N 0 0 424.217 4.103 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000561450140 944608593 /nfs/dbraw/zinc/60/85/93/944608593.db2.gz XXTFLAMSZCTSTR-LLVKDONJSA-N 0 0 417.878 4.270 20 5 HIBDRN O=C(CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1 ZINC000561600278 944697819 /nfs/dbraw/zinc/69/78/19/944697819.db2.gz GWJUWWYPASFVOC-UHFFFAOYSA-N 0 0 416.648 4.314 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000561605190 944702161 /nfs/dbraw/zinc/70/21/61/944702161.db2.gz NAEFULDWZNHGTF-CQSZACIVSA-N 0 0 412.776 4.143 20 5 HIBDRN Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1-c1cccc(F)c1 ZINC000561626648 944714959 /nfs/dbraw/zinc/71/49/59/944714959.db2.gz KNCIEXYRYFGVAC-UHFFFAOYSA-N 0 0 411.437 4.671 20 5 HIBDRN 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/nfs/dbraw/zinc/79/79/96/944797996.db2.gz MIYFSOQVFBSVCV-UHFFFAOYSA-N 0 0 412.471 4.351 20 5 HIBDRN CCc1cc(-c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)c2c(n1)onc2C(C)C ZINC000561918513 944855687 /nfs/dbraw/zinc/85/56/87/944855687.db2.gz AVFPUYYHQFUPFQ-UHFFFAOYSA-N 0 0 423.429 4.466 20 5 HIBDRN Cc1nc([C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)no1 ZINC000562032400 944903559 /nfs/dbraw/zinc/90/35/59/944903559.db2.gz CWNFFLJKMPPVRK-MRXNPFEDSA-N 0 0 401.810 4.159 20 5 HIBDRN O=C(Nc1ccc(Oc2ccccc2F)nc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000562084776 944929243 /nfs/dbraw/zinc/92/92/43/944929243.db2.gz VUINLRXKNGEWAN-UHFFFAOYSA-N 0 0 424.388 4.348 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000562112230 944946205 /nfs/dbraw/zinc/94/62/05/944946205.db2.gz FRKXMVCMEFELRI-UHFFFAOYSA-N 0 0 412.490 4.220 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC)Cc1ccc2ccccc2c1 ZINC000562126621 944957548 /nfs/dbraw/zinc/95/75/48/944957548.db2.gz OLWQDERHSJZMTC-UHFFFAOYSA-N 0 0 405.454 4.298 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000564119763 945386947 /nfs/dbraw/zinc/38/69/47/945386947.db2.gz YSJITEHQTNOJCV-QGZVFWFLSA-N 0 0 412.845 4.386 20 5 HIBDRN Cc1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(F)cc1Br ZINC000564124545 945390014 /nfs/dbraw/zinc/39/00/14/945390014.db2.gz DEYRPRMMVLTASL-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000564124136 945390308 /nfs/dbraw/zinc/39/03/08/945390308.db2.gz VOCRWBKWUNRCEK-UHFFFAOYSA-N 0 0 414.368 4.131 20 5 HIBDRN COc1ccc(OCCOc2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000564245604 945461330 /nfs/dbraw/zinc/46/13/30/945461330.db2.gz XUNAOWBMVAGFEU-UHFFFAOYSA-N 0 0 408.410 4.314 20 5 HIBDRN C[C@H](OCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)c1nccn1C ZINC000564267985 945482855 /nfs/dbraw/zinc/48/28/55/945482855.db2.gz RMFQGPUYJFOREN-AWEZNQCLSA-N 0 0 421.413 4.448 20 5 HIBDRN 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CC(C)(C(=O)NCCc1cnc(SC2CCCC2)nc1)c1ccccc1[N+](=O)[O-] ZINC000566817969 946110077 /nfs/dbraw/zinc/11/00/77/946110077.db2.gz RGOFDOBJPIMZDC-UHFFFAOYSA-N 0 0 414.531 4.056 20 5 HIBDRN CNC(=O)c1cccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1Br ZINC000566939240 946176218 /nfs/dbraw/zinc/17/62/18/946176218.db2.gz XPLRJNPJYFPGCC-UHFFFAOYSA-N 0 0 420.263 4.093 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2c2nc([C@H](C)c3cccs3)no2)ccc1[N+](=O)[O-] ZINC000566999039 946208927 /nfs/dbraw/zinc/20/89/27/946208927.db2.gz LKWVZRNHTAVGJI-CJNGLKHVSA-N 0 0 412.471 4.477 20 5 HIBDRN CNC(=O)c1cc(Oc2ccc(NC/C=C\c3ccccc3[N+](=O)[O-])cc2F)ccn1 ZINC000567315552 946309347 /nfs/dbraw/zinc/30/93/47/946309347.db2.gz YSAUEEUXEDKLOD-XQRVVYSFSA-N 0 0 422.416 4.406 20 5 HIBDRN C/C=C/c1ccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])c3cccnc23)c(OC)c1 ZINC000567411782 946329458 /nfs/dbraw/zinc/32/94/58/946329458.db2.gz ICNDCTXVWSAENW-LLCTXKFZSA-N 0 0 410.426 4.003 20 5 HIBDRN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000567412476 946329730 /nfs/dbraw/zinc/32/97/30/946329730.db2.gz GIQUHPISLSTXLL-QRQCRPRQSA-N 0 0 422.485 4.420 20 5 HIBDRN COc1cccc(N2CCC[C@H](NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)C2)c1 ZINC000567521657 946359268 /nfs/dbraw/zinc/35/92/68/946359268.db2.gz OQXOTGIXNNQMDM-ZDUSSCGKSA-N 0 0 423.391 4.021 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC000567744049 946401436 /nfs/dbraw/zinc/40/14/36/946401436.db2.gz FLTNDQDCXPBSIV-SFHVURJKSA-N 0 0 413.865 4.105 20 5 HIBDRN CC(C)CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCc2cccnc21 ZINC000567881814 946422272 /nfs/dbraw/zinc/42/22/72/946422272.db2.gz OUCNLLUCXSZRKF-LJQANCHMSA-N 0 0 403.429 4.373 20 5 HIBDRN Cc1noc([C@@H]2CCCCN2C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 ZINC000568063032 946453901 /nfs/dbraw/zinc/45/39/01/946453901.db2.gz ZQRYSXJQUGKXLK-FQEVSTJZSA-N 0 0 422.441 4.233 20 5 HIBDRN COc1cccc(-c2nc(Cc3ccc(Br)c(F)c3)no2)c1[N+](=O)[O-] ZINC000568068407 946455056 /nfs/dbraw/zinc/45/50/56/946455056.db2.gz 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CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2ncccc2Cl)CC1 ZINC000568784216 946685922 /nfs/dbraw/zinc/68/59/22/946685922.db2.gz RGTXQUHFOZIGGR-UHFFFAOYSA-N 0 0 412.881 4.306 20 5 HIBDRN CCc1cccc(CC)c1NC(=O)Cc1noc(COc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000568932264 946765923 /nfs/dbraw/zinc/76/59/23/946765923.db2.gz BWULORYKFXYQCU-UHFFFAOYSA-N 0 0 424.457 4.171 20 5 HIBDRN COc1cc(Cc2noc(COc3ccccc3C(C)C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000568953301 946781048 /nfs/dbraw/zinc/78/10/48/946781048.db2.gz IOTVQUVXQNSJNE-UHFFFAOYSA-N 0 0 413.430 4.288 20 5 HIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])c1sc2ccccc2c1Br ZINC000569055059 946811881 /nfs/dbraw/zinc/81/18/81/946811881.db2.gz YJQKKVPVWLJDAQ-UHFFFAOYSA-N 0 0 420.288 4.414 20 5 HIBDRN COc1ccccc1-n1cnnc1SCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000569090617 946816439 /nfs/dbraw/zinc/81/64/39/946816439.db2.gz GZPQKSIGXHKKGZ-UHFFFAOYSA-N 0 0 410.377 4.495 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)cn1 ZINC000569148965 946823858 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20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000569409075 946869788 /nfs/dbraw/zinc/86/97/88/946869788.db2.gz MDHWFBDUCGPMNZ-UHFFFAOYSA-N 0 0 400.456 4.109 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000569485956 946879400 /nfs/dbraw/zinc/87/94/00/946879400.db2.gz WRBWPFYCQMAXQP-FQEVSTJZSA-N 0 0 405.458 4.297 20 5 HIBDRN CSc1cccc(-c2nc(-c3cccc(CN4CCCC4=O)c3)no2)c1[N+](=O)[O-] ZINC000569527209 946886939 /nfs/dbraw/zinc/88/69/39/946886939.db2.gz OPEOZTDHTBRJJZ-UHFFFAOYSA-N 0 0 410.455 4.156 20 5 HIBDRN O=C(NCc1ccccc1OCC(F)(F)F)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000569588889 946893452 /nfs/dbraw/zinc/89/34/52/946893452.db2.gz SUUGBLVJPPFEFF-UHFFFAOYSA-N 0 0 422.281 4.485 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc(CSC2CCOCC2)c1 ZINC000569734634 946961917 /nfs/dbraw/zinc/96/19/17/946961917.db2.gz DUJPCJUHOIRRNG-UHFFFAOYSA-N 0 0 422.453 4.466 20 5 HIBDRN Cc1cccc(O[C@@H](C)c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C)c1C ZINC000569742465 946973276 /nfs/dbraw/zinc/97/32/76/946973276.db2.gz SFSGIIFAUHRNGW-INIZCTEOSA-N 0 0 407.474 4.043 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000569753237 946984421 /nfs/dbraw/zinc/98/44/21/946984421.db2.gz QIKDBRIATDWCDX-NRFANRHFSA-N 0 0 419.403 4.184 20 5 HIBDRN C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000569781982 947006583 /nfs/dbraw/zinc/00/65/83/947006583.db2.gz BWKRNKQAXPIBSC-FZKQIMNGSA-N 0 0 423.391 4.285 20 5 HIBDRN CCCc1noc2nc(CC)cc(-c3nc(Cc4cc(OC)ccc4[N+](=O)[O-])no3)c12 ZINC000569854637 947020319 /nfs/dbraw/zinc/02/03/19/947020319.db2.gz PLGGZUKEJUGGAG-UHFFFAOYSA-N 0 0 423.429 4.295 20 5 HIBDRN C[C@@H]1CN(c2cccc(Cl)c2)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000569890907 947038076 /nfs/dbraw/zinc/03/80/76/947038076.db2.gz FAYYLCIZSAQKFP-CQSZACIVSA-N 0 0 413.865 4.009 20 5 HIBDRN Cc1cc(Br)cc(Cl)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000569893777 947040430 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VPVLEZLRBULWBH-FQEVSTJZSA-N 0 0 417.487 4.056 20 5 HIBDRN CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000436324268 861626649 /nfs/dbraw/zinc/62/66/49/861626649.db2.gz VPVLEZLRBULWBH-HXUWFJFHSA-N 0 0 417.487 4.056 20 5 HIBDRN COCCN(C(=O)c1ccc(F)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000014790572 845979769 /nfs/dbraw/zinc/97/97/69/845979769.db2.gz JWDGLHWYJRGQRM-UHFFFAOYSA-N 0 0 419.409 4.290 20 5 HIBDRN COCCN(C(=O)c1ccc(C)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000014790536 845980053 /nfs/dbraw/zinc/98/00/53/845980053.db2.gz ZEAVAWHPPMZYDP-UHFFFAOYSA-N 0 0 403.485 4.381 20 5 HIBDRN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000014863288 845987354 /nfs/dbraw/zinc/98/73/54/845987354.db2.gz NEVFRBGAVRYAFO-UHFFFAOYSA-N 0 0 406.350 4.426 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000014900106 845990446 /nfs/dbraw/zinc/99/04/46/845990446.db2.gz MXPHYJPDOKDALP-QGZVFWFLSA-N 0 0 400.478 4.431 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000015040325 846004129 /nfs/dbraw/zinc/00/41/29/846004129.db2.gz XYJIEANFVMYCRR-LBPRGKRZSA-N 0 0 423.454 4.112 20 5 HIBDRN CC(=O)c1ccc(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000015115731 846010964 /nfs/dbraw/zinc/01/09/64/846010964.db2.gz WFOFFAVHHNJFKM-UHFFFAOYSA-N 0 0 407.392 4.138 20 5 HIBDRN COc1cc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC ZINC000015141871 846013340 /nfs/dbraw/zinc/01/33/40/846013340.db2.gz ZDCKLPLBKFCOFA-UHFFFAOYSA-N 0 0 415.324 4.194 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(N(C)Cc3ccco3)c([N+](=O)[O-])c2)c(C)c1 ZINC000015172103 846015621 /nfs/dbraw/zinc/01/56/21/846015621.db2.gz PPGIVWHRRDUOJB-UHFFFAOYSA-N 0 0 415.471 4.242 20 5 HIBDRN COc1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000015239721 846021146 /nfs/dbraw/zinc/02/11/46/846021146.db2.gz YSJKVRAGVJRQRY-UHFFFAOYSA-N 0 0 421.240 4.407 20 5 HIBDRN O=C1C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)NC(=S)N1c1ccccc1F ZINC000015256612 846025072 /nfs/dbraw/zinc/02/50/72/846025072.db2.gz KWBBKTRDQJYXIX-WJDWOHSUSA-N 0 0 409.398 4.256 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2cc3oc(=O)cc(C)c3cc2Cl)c1C ZINC000015330083 846035757 /nfs/dbraw/zinc/03/57/57/846035757.db2.gz HGVLDLCCZYIWDS-UHFFFAOYSA-N 0 0 423.830 4.048 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1C ZINC000015333483 846035908 /nfs/dbraw/zinc/03/59/08/846035908.db2.gz ZRTFTMLLPIHNDZ-ZDUSSCGKSA-N 0 0 405.501 4.203 20 5 HIBDRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000015410259 846045378 /nfs/dbraw/zinc/04/53/78/846045378.db2.gz MVAVNSHSQCJTII-INIZCTEOSA-N 0 0 421.906 4.047 20 5 HIBDRN CC(C)c1ccc(-c2noc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 ZINC000015418112 846046595 /nfs/dbraw/zinc/04/65/95/846046595.db2.gz UXNKPPYIXSQTMM-UHFFFAOYSA-N 0 0 407.474 4.090 20 5 HIBDRN NC(=O)c1ccc(SCC(=O)Nc2ccccc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000015643294 846078856 /nfs/dbraw/zinc/07/88/56/846078856.db2.gz CPTHXISZFFEBOU-UHFFFAOYSA-N 0 0 407.451 4.092 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c([N+](=O)[O-])cc1OC ZINC000015757401 846089825 /nfs/dbraw/zinc/08/98/25/846089825.db2.gz FWSFXLZQPDDWHD-UHFFFAOYSA-N 0 0 407.426 4.240 20 5 HIBDRN CC(C)c1cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc2n1 ZINC000015759534 846090004 /nfs/dbraw/zinc/09/00/04/846090004.db2.gz GBPKGJZQWAVFJM-UHFFFAOYSA-N 0 0 404.470 4.229 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000015787758 846090776 /nfs/dbraw/zinc/09/07/76/846090776.db2.gz FPHFRVDVCNLIGG-IBGZPJMESA-N 0 0 419.934 4.294 20 5 HIBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1SCc1ccccc1 ZINC000015824695 846096150 /nfs/dbraw/zinc/09/61/50/846096150.db2.gz AWSYORJKIOAFLW-UHFFFAOYSA-N 0 0 421.478 4.256 20 5 HIBDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000015825834 846096903 /nfs/dbraw/zinc/09/69/03/846096903.db2.gz GXILZHYDRDHODW-CYBMUJFWSA-N 0 0 407.455 4.223 20 5 HIBDRN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000016002229 846110237 /nfs/dbraw/zinc/11/02/37/846110237.db2.gz DAISIEUNUPZKBW-HSZRJFAPSA-N 0 0 418.449 4.400 20 5 HIBDRN COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016086170 846121754 /nfs/dbraw/zinc/12/17/54/846121754.db2.gz IJVMVYDKVKAHQZ-UHFFFAOYSA-N 0 0 418.496 4.056 20 5 HIBDRN CN(CCOc1ccccc1Cl)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000016175554 846134027 /nfs/dbraw/zinc/13/40/27/846134027.db2.gz OFTXNROSSCQKIR-UHFFFAOYSA-N 0 0 413.655 4.162 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000016195861 846136449 /nfs/dbraw/zinc/13/64/49/846136449.db2.gz HMIAPLJPOVLTGQ-UHFFFAOYSA-N 0 0 415.254 4.419 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000016197204 846137449 /nfs/dbraw/zinc/13/74/49/846137449.db2.gz SEWOAOZHSXAKSW-LLVKDONJSA-N 0 0 408.863 4.463 20 5 HIBDRN O=c1c2c(-c3ccccc3)csc2nc2n1N=C(c1cccc([N+](=O)[O-])c1)CS2 ZINC000016331471 846155946 /nfs/dbraw/zinc/15/59/46/846155946.db2.gz MLJBTLSDIGZUFB-UHFFFAOYSA-N 0 0 420.475 4.391 20 5 HIBDRN COc1ccc(C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000016700418 846197901 /nfs/dbraw/zinc/19/79/01/846197901.db2.gz VMCLDXJPOHYLCI-UHFFFAOYSA-N 0 0 420.347 4.119 20 5 HIBDRN COc1ccc(NC(=O)CSc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 ZINC000016702328 846198027 /nfs/dbraw/zinc/19/80/27/846198027.db2.gz WZFOYOFWRSKCNI-UHFFFAOYSA-N 0 0 408.386 4.079 20 5 HIBDRN CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000017048797 846228803 /nfs/dbraw/zinc/22/88/03/846228803.db2.gz BYVPZBKDLNKCIA-KGLIPLIRSA-N 0 0 418.471 4.045 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000017050325 846229031 /nfs/dbraw/zinc/22/90/31/846229031.db2.gz HKUFTXOHCPFYDK-VIFPVBQESA-N 0 0 413.213 4.094 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)OCc3nc4ccccc4s3)cc2)c(C)c1[N+](=O)[O-] ZINC000017158373 846233458 /nfs/dbraw/zinc/23/34/58/846233458.db2.gz QTVBWGPQGLDVNW-UHFFFAOYSA-N 0 0 422.466 4.423 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000017324828 846247005 /nfs/dbraw/zinc/24/70/05/846247005.db2.gz SVTZACNHQDTUCX-OKILXGFUSA-N 0 0 403.866 4.110 20 5 HIBDRN C[C@@H](OC(=O)c1cccnc1SC(F)F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017531969 846258638 /nfs/dbraw/zinc/25/86/38/846258638.db2.gz LGNYTZHZZKRROZ-SECBINFHSA-N 0 0 422.369 4.273 20 5 HIBDRN COc1ccc2c(CC(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)coc2c1 ZINC000017672062 846263339 /nfs/dbraw/zinc/26/33/39/846263339.db2.gz PTARGPMNHPKTGE-LBPRGKRZSA-N 0 0 423.381 4.247 20 5 HIBDRN C[C@@H](OC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017669162 846263624 /nfs/dbraw/zinc/26/36/24/846263624.db2.gz WFVKYEUAZXVMRK-GFCCVEGCSA-N 0 0 402.834 4.311 20 5 HIBDRN O=C(COC(=O)c1cc(F)c(Cl)cc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017750682 846268144 /nfs/dbraw/zinc/26/81/44/846268144.db2.gz LAMSMDCIGVSSDX-UHFFFAOYSA-N 0 0 421.595 4.490 20 5 HIBDRN C[C@H](OC(=O)CSc1ccc(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017835024 846271477 /nfs/dbraw/zinc/27/14/77/846271477.db2.gz XXZBGDTZWSZNDR-JTQLQIEISA-N 0 0 421.381 4.320 20 5 HIBDRN Cc1cccc(-n2nnnc2S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C ZINC000017890063 846274663 /nfs/dbraw/zinc/27/46/63/846274663.db2.gz VJCILEVEYOVSJI-CYBMUJFWSA-N 0 0 423.458 4.091 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000017960132 846280200 /nfs/dbraw/zinc/28/02/00/846280200.db2.gz AZGQBTYVSNCOBK-UHFFFAOYSA-N 0 0 412.427 4.133 20 5 HIBDRN C[C@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000018025050 846287333 /nfs/dbraw/zinc/28/73/33/846287333.db2.gz XERXTEQJTWJZRX-ZDUSSCGKSA-N 0 0 413.817 4.223 20 5 HIBDRN COc1cc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000018160833 846304529 /nfs/dbraw/zinc/30/45/29/846304529.db2.gz XTHNJLAQOPKKIJ-UHFFFAOYSA-N 0 0 406.438 4.421 20 5 HIBDRN Cc1ccc(CSCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000018202081 846308223 /nfs/dbraw/zinc/30/82/23/846308223.db2.gz XAQORCYNWRTVIU-UHFFFAOYSA-N 0 0 413.543 4.169 20 5 HIBDRN COc1ccc(Br)cc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000018219514 846311498 /nfs/dbraw/zinc/31/14/98/846311498.db2.gz WOTDZWXHDNPFER-UHFFFAOYSA-N 0 0 400.612 4.376 20 5 HIBDRN CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000018239597 846315737 /nfs/dbraw/zinc/31/57/37/846315737.db2.gz IBHLFFFZPPPEEQ-BJMVGYQFSA-N 0 0 419.231 4.186 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](c2ccccc2F)C1 ZINC000436346818 861663842 /nfs/dbraw/zinc/66/38/42/861663842.db2.gz YJLSZVRHRXZOHY-FQEVSTJZSA-N 0 0 420.415 4.173 20 5 HIBDRN C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1F ZINC000018456679 846327505 /nfs/dbraw/zinc/32/75/05/846327505.db2.gz RNOATCRHWOOIDE-NSHDSACASA-N 0 0 406.385 4.355 20 5 HIBDRN COc1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000436349258 861665587 /nfs/dbraw/zinc/66/55/87/861665587.db2.gz BYXANYMOESMIQC-AWEZNQCLSA-N 0 0 412.364 4.344 20 5 HIBDRN Cc1nc(-c2ccccc2)c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000018765011 846340748 /nfs/dbraw/zinc/34/07/48/846340748.db2.gz MJHOXRQALYQDNZ-LBPRGKRZSA-N 0 0 411.439 4.211 20 5 HIBDRN CCn1c(SCC(=O)NCc2ccccc2F)nc2cc3ccccc3cc2c1=O ZINC000019241531 846360002 /nfs/dbraw/zinc/36/00/02/846360002.db2.gz QDPDSPVDMYECFD-UHFFFAOYSA-N 0 0 421.497 4.117 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c(C)c1[N+](=O)[O-] ZINC000019676523 846371747 /nfs/dbraw/zinc/37/17/47/846371747.db2.gz KEHYFLMCDYDHBL-UHFFFAOYSA-N 0 0 408.502 4.155 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCSc4ccccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000020010576 846375583 /nfs/dbraw/zinc/37/55/83/846375583.db2.gz FSDWMKXHEUKBNR-LJQANCHMSA-N 0 0 422.510 4.423 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000020630442 846386377 /nfs/dbraw/zinc/38/63/77/846386377.db2.gz FCBOFHIRZAUQDZ-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN O=C(c1cc2ccccc2[nH]1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000020934967 846396002 /nfs/dbraw/zinc/39/60/02/846396002.db2.gz VXDOMFMAIQAKRD-UHFFFAOYSA-N 0 0 418.375 4.057 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccc(F)cc3s2)c([N+](=O)[O-])c1 ZINC000020989260 846398447 /nfs/dbraw/zinc/39/84/47/846398447.db2.gz NGUQLJMRJODHGY-SNVBAGLBSA-N 0 0 418.402 4.141 20 5 HIBDRN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCc1ccc(Cl)cc1Cl ZINC000021086342 846402314 /nfs/dbraw/zinc/40/23/14/846402314.db2.gz KSGSPBCZZWDWHO-UHFFFAOYSA-N 0 0 417.632 4.028 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(Nc2ccccc2)s1 ZINC000021156092 846409671 /nfs/dbraw/zinc/40/96/71/846409671.db2.gz ORVCMUUAAJXWTA-UHFFFAOYSA-N 0 0 401.473 4.229 20 5 HIBDRN C[C@@H](OC(=O)CC1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000021450312 846446054 /nfs/dbraw/zinc/44/60/54/846446054.db2.gz DENUAUMCQNRFEA-LLVKDONJSA-N 0 0 402.369 4.454 20 5 HIBDRN CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000021545787 846460436 /nfs/dbraw/zinc/46/04/36/846460436.db2.gz ZJQCWKUJCPTMNC-LBPRGKRZSA-N 0 0 414.443 4.163 20 5 HIBDRN Cc1cc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000021589213 846467063 /nfs/dbraw/zinc/46/70/63/846467063.db2.gz PJICHGBDDTWYMO-QGZVFWFLSA-N 0 0 411.439 4.314 20 5 HIBDRN C[C@@H](Sc1nnc(-c2ccccc2Br)n1N)c1cccc([N+](=O)[O-])c1 ZINC000021604964 846470185 /nfs/dbraw/zinc/47/01/85/846470185.db2.gz GLCPKWPHZYVDJT-SNVBAGLBSA-N 0 0 420.292 4.183 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nccn1-c1cccc(C)c1C ZINC000021609332 846471362 /nfs/dbraw/zinc/47/13/62/846471362.db2.gz UFYIAKIIUJNQDQ-UHFFFAOYSA-N 0 0 412.471 4.137 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000021636021 846476049 /nfs/dbraw/zinc/47/60/49/846476049.db2.gz FSYMTRTZCOSRRY-UHFFFAOYSA-N 0 0 416.648 4.266 20 5 HIBDRN Cc1cc(=O)c(C(=O)Nc2cccc(Cl)c2Cl)nn1-c1ccccc1[N+](=O)[O-] ZINC000021889233 846506925 /nfs/dbraw/zinc/50/69/25/846506925.db2.gz SWKGTTXVPZLRCA-UHFFFAOYSA-N 0 0 419.224 4.008 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000021935523 846512806 /nfs/dbraw/zinc/51/28/06/846512806.db2.gz LBRKUZRPFYICRH-UHFFFAOYSA-N 0 0 409.873 4.359 20 5 HIBDRN O=C1OCC[C@@H]1Sc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000021971178 846515519 /nfs/dbraw/zinc/51/55/19/846515519.db2.gz ULEYOANTWLOTJK-HNNXBMFYSA-N 0 0 423.372 4.360 20 5 HIBDRN Cc1ccc2c(CC(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)coc2c1C ZINC000022105962 846531686 /nfs/dbraw/zinc/53/16/86/846531686.db2.gz FWBQKIBIMVXCQD-OAHLLOKOSA-N 0 0 410.426 4.379 20 5 HIBDRN CSc1ccc(C(=O)OCC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000022161076 846539064 /nfs/dbraw/zinc/53/90/64/846539064.db2.gz HCEWAGBCSAHQSB-FQEVSTJZSA-N 0 0 414.483 4.049 20 5 HIBDRN CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000022243635 846548916 /nfs/dbraw/zinc/54/89/16/846548916.db2.gz OENHMXWZXBYEHL-GFCCVEGCSA-N 0 0 415.471 4.075 20 5 HIBDRN CNc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000022272910 846552190 /nfs/dbraw/zinc/55/21/90/846552190.db2.gz SYPKWWTVRBOVTB-LBPRGKRZSA-N 0 0 405.838 4.091 20 5 HIBDRN CN(C(=O)COC(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000022470660 846575436 /nfs/dbraw/zinc/57/54/36/846575436.db2.gz NGIFVZPNOPGJDH-JOCHJYFZSA-N 0 0 422.412 4.139 20 5 HIBDRN Cc1cccc2nc(C3CCN(C(=O)NCCc4cccc([N+](=O)[O-])c4)CC3)oc21 ZINC000436362709 861695133 /nfs/dbraw/zinc/69/51/33/861695133.db2.gz PUZPLBDIJJLFFA-UHFFFAOYSA-N 0 0 408.458 4.176 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)CCCc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] ZINC000022574447 846589454 /nfs/dbraw/zinc/58/94/54/846589454.db2.gz FDSUKABCTRCNKW-HNNXBMFYSA-N 0 0 409.442 4.278 20 5 HIBDRN C[C@H](OC(=O)CSC(C)(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000022613842 846593892 /nfs/dbraw/zinc/59/38/92/846593892.db2.gz FRRJJUMUYKTAGE-NSHDSACASA-N 0 0 423.516 4.120 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 ZINC000022669231 846599901 /nfs/dbraw/zinc/59/99/01/846599901.db2.gz YDYISTNAWYWUPV-VXGBXAGGSA-N 0 0 416.817 4.417 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 ZINC000022669241 846599925 /nfs/dbraw/zinc/59/99/25/846599925.db2.gz YDYISTNAWYWUPV-NEPJUHHUSA-N 0 0 416.817 4.417 20 5 HIBDRN CC[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000022668080 846599941 /nfs/dbraw/zinc/59/99/41/846599941.db2.gz QKWFUWMZIDUYKC-INIZCTEOSA-N 0 0 411.241 4.326 20 5 HIBDRN CC[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000022668077 846599992 /nfs/dbraw/zinc/59/99/92/846599992.db2.gz QKWFUWMZIDUYKC-MRXNPFEDSA-N 0 0 411.241 4.326 20 5 HIBDRN CC[C@H](NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000022792268 846621960 /nfs/dbraw/zinc/62/19/60/846621960.db2.gz GJUMWHWHMMALNX-HNNXBMFYSA-N 0 0 411.241 4.326 20 5 HIBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccs2)c([N+](=O)[O-])c1 ZINC000023381013 846691664 /nfs/dbraw/zinc/69/16/64/846691664.db2.gz VJQPMWFGTMPHNX-UHFFFAOYSA-N 0 0 417.512 4.484 20 5 HIBDRN CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000023487969 846707256 /nfs/dbraw/zinc/70/72/56/846707256.db2.gz KGMCPNFUDZSEGQ-HNNXBMFYSA-N 0 0 413.474 4.057 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000023504169 846710605 /nfs/dbraw/zinc/71/06/05/846710605.db2.gz FIUBUXUTJKDGQX-CQSZACIVSA-N 0 0 423.498 4.481 20 5 HIBDRN Cc1c(C(=O)N[C@H](C)c2ccc(Br)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000023523875 846715499 /nfs/dbraw/zinc/71/54/99/846715499.db2.gz ZWADPBCLBBVOLJ-SNVBAGLBSA-N 0 0 408.208 4.065 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000023529780 846716655 /nfs/dbraw/zinc/71/66/55/846716655.db2.gz HVFOZYYNOGAFOS-UHFFFAOYSA-N 0 0 416.648 4.266 20 5 HIBDRN O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000023587516 846723772 /nfs/dbraw/zinc/72/37/72/846723772.db2.gz NBNJXYBQRXGWHP-UHFFFAOYSA-N 0 0 415.254 4.176 20 5 HIBDRN O=c1c2ccc(Cl)cc2nc(Sc2ccc([N+](=O)[O-])cn2)n1Cc1ccco1 ZINC000023606811 846728133 /nfs/dbraw/zinc/72/81/33/846728133.db2.gz UENWERMJZCBKLP-UHFFFAOYSA-N 0 0 414.830 4.146 20 5 HIBDRN O=C(c1ccc(Cl)s1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000023656727 846737551 /nfs/dbraw/zinc/73/75/51/846737551.db2.gz UAIUSWBCQZRTLS-UHFFFAOYSA-N 0 0 419.812 4.291 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000023699449 846742307 /nfs/dbraw/zinc/74/23/07/846742307.db2.gz VREHPZAXBLGKBI-LBPRGKRZSA-N 0 0 414.245 4.043 20 5 HIBDRN CCOc1cc2c(cc1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000024081283 846786553 /nfs/dbraw/zinc/78/65/53/846786553.db2.gz OYGCNTGRCIGCLA-KBPBESRZSA-N 0 0 416.499 4.114 20 5 HIBDRN CC(C)c1ccc(OCc2nnc(S[C@H](C)c3cccc([N+](=O)[O-])c3)n2N)cc1 ZINC000024271305 846807892 /nfs/dbraw/zinc/80/78/92/846807892.db2.gz XHDHEIVVDZYZHM-CQSZACIVSA-N 0 0 413.503 4.456 20 5 HIBDRN C[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000024302869 846811585 /nfs/dbraw/zinc/81/15/85/846811585.db2.gz VOKAAKKWZOLHNI-JTQLQIEISA-N 0 0 421.841 4.087 20 5 HIBDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 ZINC000024708785 846856972 /nfs/dbraw/zinc/85/69/72/846856972.db2.gz LQZLZGXPGIPDID-UHFFFAOYSA-N 0 0 417.878 4.177 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)Cc1sc(C)nc1-c1cccs1 ZINC000024797477 846867958 /nfs/dbraw/zinc/86/79/58/846867958.db2.gz QSJZKSXACAKEKS-UHFFFAOYSA-N 0 0 404.469 4.383 20 5 HIBDRN O=C(COC(=O)c1cc2c(cccc2F)s1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000024791355 846868232 /nfs/dbraw/zinc/86/82/32/846868232.db2.gz NAJZMIPGCFFHIO-UHFFFAOYSA-N 0 0 408.794 4.398 20 5 HIBDRN CCN(C(=O)COC(=O)CSc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000025064652 846916305 /nfs/dbraw/zinc/91/63/05/846916305.db2.gz HMKUFCZFODRNDT-UHFFFAOYSA-N 0 0 424.478 4.436 20 5 HIBDRN O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000025214549 846941944 /nfs/dbraw/zinc/94/19/44/846941944.db2.gz IQXNEWFVNJQQRJ-UHFFFAOYSA-N 0 0 422.488 4.441 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](C)c2ccccc2OC(F)F)c([N+](=O)[O-])cc1OC ZINC000025298490 846955195 /nfs/dbraw/zinc/95/51/95/846955195.db2.gz IPBHFIJOFSSGBN-LLVKDONJSA-N 0 0 410.373 4.095 20 5 HIBDRN Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000025374881 846970401 /nfs/dbraw/zinc/97/04/01/846970401.db2.gz BNOBWBAWPRVOOI-LLVKDONJSA-N 0 0 402.403 4.441 20 5 HIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000025456017 846980781 /nfs/dbraw/zinc/98/07/81/846980781.db2.gz GBHCDHBJXIELGM-XCVCLJGOSA-N 0 0 419.315 4.420 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(c3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CC2)c(C)c1 ZINC000025576958 847003661 /nfs/dbraw/zinc/00/36/61/847003661.db2.gz JRPAKIUEWPDKHY-UHFFFAOYSA-N 0 0 423.513 4.449 20 5 HIBDRN C[C@H](c1ccc(F)cc1F)N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436397855 861743676 /nfs/dbraw/zinc/74/36/76/861743676.db2.gz AYNIXTRSVBBPFF-LLVKDONJSA-N 0 0 416.350 4.170 20 5 HIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000025761121 847032280 /nfs/dbraw/zinc/03/22/80/847032280.db2.gz VCTACEXULIKDSP-UHFFFAOYSA-N 0 0 424.501 4.435 20 5 HIBDRN COc1cc(CSc2nnc(NCC(C)C)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000025817336 847041658 /nfs/dbraw/zinc/04/16/58/847041658.db2.gz IBKCVFMMGKEKDO-UHFFFAOYSA-N 0 0 420.463 4.417 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nnc(COc2ccccc2Cl)n1C ZINC000025893625 847052724 /nfs/dbraw/zinc/05/27/24/847052724.db2.gz FWLRKHRMLLTXQT-UHFFFAOYSA-N 0 0 420.878 4.257 20 5 HIBDRN Cc1nc2ccccc2c2c(NC(=O)CCNC(=O)C(C)(C)C)c3ccccc3n21 ZINC000025902099 847054644 /nfs/dbraw/zinc/05/46/44/847054644.db2.gz XATIILDRZRVMGB-UHFFFAOYSA-N 0 0 402.498 4.440 20 5 HIBDRN O=C(NCc1ccc(OC(F)(F)F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000026063828 847080196 /nfs/dbraw/zinc/08/01/96/847080196.db2.gz BGILVBDMHLKVMH-UHFFFAOYSA-N 0 0 423.391 4.026 20 5 HIBDRN COc1ccc2c(C)c(CCC(=O)O[C@H](C)c3cccc([N+](=O)[O-])c3)c(=O)oc2c1 ZINC000026089186 847081724 /nfs/dbraw/zinc/08/17/24/847081724.db2.gz IMLIJUGUEWNYCK-CQSZACIVSA-N 0 0 411.410 4.255 20 5 HIBDRN C[C@@H](OC(=O)c1cc2ccc(F)cc2s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000026222234 847106174 /nfs/dbraw/zinc/10/61/74/847106174.db2.gz UHXVFTBPYICEDV-SECBINFHSA-N 0 0 406.366 4.272 20 5 HIBDRN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026347314 847129832 /nfs/dbraw/zinc/12/98/32/847129832.db2.gz AMFYWZLKTWPHNL-OLZOCXBDSA-N 0 0 412.515 4.211 20 5 HIBDRN O=C(CCSc1nnc(Nc2ccccc2F)s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026361753 847133425 /nfs/dbraw/zinc/13/34/25/847133425.db2.gz RJCFRVOJLFCOAJ-UHFFFAOYSA-N 0 0 419.463 4.450 20 5 HIBDRN C[C@@H](OC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000026570198 847171455 /nfs/dbraw/zinc/17/14/55/847171455.db2.gz UOHZHRKYTQGZLR-SSDOTTSWSA-N 0 0 419.167 4.364 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000026786181 847197383 /nfs/dbraw/zinc/19/73/83/847197383.db2.gz UATXZRAZFJXQOA-FQEVSTJZSA-N 0 0 402.447 4.138 20 5 HIBDRN CN1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)Cc2ccccc21 ZINC000436412793 861765704 /nfs/dbraw/zinc/76/57/04/861765704.db2.gz NUGGNLGZNDQBQD-UHFFFAOYSA-N 0 0 419.431 4.052 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000026920200 847221715 /nfs/dbraw/zinc/22/17/15/847221715.db2.gz SZDKTHQMJPRBCA-UHFFFAOYSA-N 0 0 413.817 4.240 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000026941038 847224085 /nfs/dbraw/zinc/22/40/85/847224085.db2.gz DHFWRKNKUAQOOC-IBGZPJMESA-N 0 0 416.430 4.332 20 5 HIBDRN COc1cc([C@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000026937358 847224430 /nfs/dbraw/zinc/22/44/30/847224430.db2.gz NGEITYVNDGWMFC-AWEZNQCLSA-N 0 0 404.488 4.360 20 5 HIBDRN COc1ccc([C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C2CC2)cc1 ZINC000026952549 847226714 /nfs/dbraw/zinc/22/67/14/847226714.db2.gz CMUCBMQJVLYDHO-VWLOTQADSA-N 0 0 412.489 4.431 20 5 HIBDRN Cc1nc2cc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)ccc2o1 ZINC000027013531 847234403 /nfs/dbraw/zinc/23/44/03/847234403.db2.gz TVQPAPUYYADJHI-UHFFFAOYSA-N 0 0 405.414 4.158 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)c2)cs1 ZINC000027036705 847238738 /nfs/dbraw/zinc/23/87/38/847238738.db2.gz VUIUWYHMWNAGRF-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)o1 ZINC000027282182 847278694 /nfs/dbraw/zinc/27/86/94/847278694.db2.gz AWCPDQSMUKIRMP-AUUYWEPGSA-N 0 0 406.442 4.302 20 5 HIBDRN Cc1ccc(C(=O)OCc2nc(-c3cccc(Br)c3)no2)cc1[N+](=O)[O-] ZINC000027367031 847291353 /nfs/dbraw/zinc/29/13/53/847291353.db2.gz NJLZNBMPFZQDSE-UHFFFAOYSA-N 0 0 418.203 4.073 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000027535675 847315936 /nfs/dbraw/zinc/31/59/36/847315936.db2.gz VNLZDCWBDMGFPJ-GFCCVEGCSA-N 0 0 411.380 4.081 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000027682284 847337629 /nfs/dbraw/zinc/33/76/29/847337629.db2.gz QABVUTGADZJFMP-OAHLLOKOSA-N 0 0 419.437 4.427 20 5 HIBDRN CCOc1cc(C(=O)O[C@H](C)c2nnc(-c3cccs3)o2)c([N+](=O)[O-])cc1OC ZINC000028001157 847373736 /nfs/dbraw/zinc/37/37/36/847373736.db2.gz JCZWGPORPHUEOD-SNVBAGLBSA-N 0 0 419.415 4.032 20 5 HIBDRN COc1ccc(-c2nc(COC(=O)c3cccc([N+](=O)[O-])c3)cs2)c(OC)c1 ZINC000028183322 847392964 /nfs/dbraw/zinc/39/29/64/847392964.db2.gz HNJZFVBFVUBUJD-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3nc(-c4ccc[nH]4)cs3)cc2)c(C)c1[N+](=O)[O-] ZINC000028254398 847399934 /nfs/dbraw/zinc/39/99/34/847399934.db2.gz FEAADRCJBNSPIL-UHFFFAOYSA-N 0 0 422.470 4.160 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000028293616 847402946 /nfs/dbraw/zinc/40/29/46/847402946.db2.gz UCEQVEGGTSYTFN-IZZDOVSWSA-N 0 0 423.450 4.222 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)N[C@H](c2ccc(C)cc2)C2CC2)c1 ZINC000028400388 847416134 /nfs/dbraw/zinc/41/61/34/847416134.db2.gz AEULXTJOCJNYMS-HXUWFJFHSA-N 0 0 414.483 4.049 20 5 HIBDRN Cc1ccc(C(C)C)cc1OCC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000028610382 847436469 /nfs/dbraw/zinc/43/64/69/847436469.db2.gz GIVBMESOENDGFB-UHFFFAOYSA-N 0 0 420.849 4.241 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000028791166 847461667 /nfs/dbraw/zinc/46/16/67/847461667.db2.gz JWNQTTPMBFWFHW-UHFFFAOYSA-N 0 0 404.444 4.136 20 5 HIBDRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000028807000 847463870 /nfs/dbraw/zinc/46/38/70/847463870.db2.gz OGRFVZMYIOTAOU-UHFFFAOYSA-N 0 0 424.269 4.418 20 5 HIBDRN C[C@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000028806893 847464088 /nfs/dbraw/zinc/46/40/88/847464088.db2.gz NEAYLMNRMLAVTO-JTQLQIEISA-N 0 0 403.851 4.153 20 5 HIBDRN NC(=O)CCn1c(SCc2nc3ccccc3c3ccccc23)nnc1C1CC1 ZINC000028909232 847476919 /nfs/dbraw/zinc/47/69/19/847476919.db2.gz WKQYTWIVOGZMBM-UHFFFAOYSA-N 0 0 403.511 4.025 20 5 HIBDRN O=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000028918314 847477786 /nfs/dbraw/zinc/47/77/86/847477786.db2.gz SRBKQJCBRDDJLL-UHFFFAOYSA-N 0 0 422.368 4.358 20 5 HIBDRN CC(C)c1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000028938325 847482169 /nfs/dbraw/zinc/48/21/69/847482169.db2.gz MNMJLCDZPZSSGR-CYBMUJFWSA-N 0 0 420.849 4.321 20 5 HIBDRN CC(C)c1ccccc1OCC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000028938279 847482328 /nfs/dbraw/zinc/48/23/28/847482328.db2.gz XOQDUEGNWOIUNQ-ZDUSSCGKSA-N 0 0 420.849 4.321 20 5 HIBDRN C[C@@H](c1nnc(Sc2ncccc2[N+](=O)[O-])n1-c1ccccc1)N1CCCCC1 ZINC000029004861 847491953 /nfs/dbraw/zinc/49/19/53/847491953.db2.gz RDORRCLPCQELFZ-HNNXBMFYSA-N 0 0 410.503 4.269 20 5 HIBDRN CN(C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1Cl ZINC000029049558 847497503 /nfs/dbraw/zinc/49/75/03/847497503.db2.gz UKIIVTYORPPDGY-MRXNPFEDSA-N 0 0 403.891 4.496 20 5 HIBDRN O=C(Nc1ccc(Oc2nc3ccccn3c2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000029164329 847518451 /nfs/dbraw/zinc/51/84/51/847518451.db2.gz ONFARBMLPXDYJZ-UHFFFAOYSA-N 0 0 419.353 4.195 20 5 HIBDRN CN(Cc1nccn1C(F)F)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000029183538 847521744 /nfs/dbraw/zinc/52/17/44/847521744.db2.gz VMHSTSGVIAWWFH-UHFFFAOYSA-N 0 0 401.373 4.202 20 5 HIBDRN O=c1[nH]cnc2cc(NCCC(c3ccccc3)c3ccccc3)c([N+](=O)[O-])cc21 ZINC000029187055 847522069 /nfs/dbraw/zinc/52/20/69/847522069.db2.gz VBQFXEBGRYBVQN-UHFFFAOYSA-N 0 0 400.438 4.465 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000436438926 861802098 /nfs/dbraw/zinc/80/20/98/861802098.db2.gz KGHZNCDKUWYWBB-KRWDZBQOSA-N 0 0 416.861 4.316 20 5 HIBDRN CNC(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 ZINC000029360275 847551687 /nfs/dbraw/zinc/55/16/87/847551687.db2.gz YEIMJDQKCVHFBS-UHFFFAOYSA-N 0 0 421.478 4.287 20 5 HIBDRN COc1ccc(C2(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CCOCC2)cc1F ZINC000436455395 861810250 /nfs/dbraw/zinc/81/02/50/861810250.db2.gz SCNHUBQLKOSOSA-UHFFFAOYSA-N 0 0 422.840 4.140 20 5 HIBDRN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000029790907 847619994 /nfs/dbraw/zinc/61/99/94/847619994.db2.gz MKUGYNFVYVOSSZ-UHFFFAOYSA-N 0 0 408.483 4.495 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000029795454 847621261 /nfs/dbraw/zinc/62/12/61/847621261.db2.gz JVMYUZTZSKMOSB-NSHDSACASA-N 0 0 400.378 4.290 20 5 HIBDRN O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000436460222 861811848 /nfs/dbraw/zinc/81/18/48/861811848.db2.gz WYSXPSSUXSCTDH-UHFFFAOYSA-N 0 0 414.409 4.308 20 5 HIBDRN CCOc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])ccc1OCc1cccnc1 ZINC000029848464 847633440 /nfs/dbraw/zinc/63/34/40/847633440.db2.gz ZJFHJZDCCBQAEZ-UHFFFAOYSA-N 0 0 421.453 4.240 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)Nc3ccc(N(C)C)nc3)cc2[N+](=O)[O-])n1 ZINC000030117549 847679928 /nfs/dbraw/zinc/67/99/28/847679928.db2.gz JBONQZHIVLVXNS-UHFFFAOYSA-N 0 0 415.500 4.224 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000030366348 847706151 /nfs/dbraw/zinc/70/61/51/847706151.db2.gz UATVKAGJFWBRKM-GOSISDBHSA-N 0 0 402.834 4.402 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000030363669 847706651 /nfs/dbraw/zinc/70/66/51/847706651.db2.gz WSJZUBJLHPGETD-GOSISDBHSA-N 0 0 411.849 4.115 20 5 HIBDRN C[C@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000030369249 847707655 /nfs/dbraw/zinc/70/76/55/847707655.db2.gz NOJGEROZNBOUKM-XHDPSFHLSA-N 0 0 410.879 4.318 20 5 HIBDRN COc1cc(C(=O)NCc2ccccc2COC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000030368510 847707809 /nfs/dbraw/zinc/70/78/09/847707809.db2.gz FLWWHAXVSSJDTB-UHFFFAOYSA-N 0 0 424.400 4.060 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCn4c5ccccc5nc43)cc2[N+](=O)[O-])C1 ZINC000030661093 847754120 /nfs/dbraw/zinc/75/41/20/847754120.db2.gz IXVHEBFUQSACDL-HOTGVXAUSA-N 0 0 419.485 4.087 20 5 HIBDRN CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000030657343 847754311 /nfs/dbraw/zinc/75/43/11/847754311.db2.gz JWRLOUAUMVSXRV-UHFFFAOYSA-N 0 0 415.453 4.355 20 5 HIBDRN Cc1[nH]c2ccc(Br)cc2c1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000030881361 847789871 /nfs/dbraw/zinc/78/98/71/847789871.db2.gz SDSUTVIHPOKSKP-UHFFFAOYSA-N 0 0 416.275 4.348 20 5 HIBDRN COC(=O)c1ccc(OCc2csc(-c3cccc(OC)c3)n2)c([N+](=O)[O-])c1 ZINC000030909483 847797633 /nfs/dbraw/zinc/79/76/33/847797633.db2.gz QVOIUXDGNZJZGY-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000031158378 847833544 /nfs/dbraw/zinc/83/35/44/847833544.db2.gz OQXHNAZTOYRADE-UHFFFAOYSA-N 0 0 401.772 4.338 20 5 HIBDRN O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031227083 847846879 /nfs/dbraw/zinc/84/68/79/847846879.db2.gz IAZIBGNZNRVANV-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000031539906 847903439 /nfs/dbraw/zinc/90/34/39/847903439.db2.gz CJCWZZPNNNCHOO-UHFFFAOYSA-N 0 0 409.398 4.156 20 5 HIBDRN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2sc3ccccc3c2Cl)C1=O ZINC000031661428 847925217 /nfs/dbraw/zinc/92/52/17/847925217.db2.gz PGCGIVGGMUSIDJ-LJQANCHMSA-N 0 0 415.858 4.430 20 5 HIBDRN CCOc1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000031795099 847951504 /nfs/dbraw/zinc/95/15/04/847951504.db2.gz IFPZTGIXOXIDNX-LBPRGKRZSA-N 0 0 415.471 4.445 20 5 HIBDRN CCn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1-c1cccs1 ZINC000031837958 847956635 /nfs/dbraw/zinc/95/66/35/847956635.db2.gz GMHVUQZFNGIBGC-UHFFFAOYSA-N 0 0 414.472 4.277 20 5 HIBDRN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032144410 847988526 /nfs/dbraw/zinc/98/85/26/847988526.db2.gz WNVAHTBLCCNDTO-UHFFFAOYSA-N 0 0 419.363 4.118 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2CCSc3ccccc32)cc1[N+](=O)[O-] ZINC000032339529 848008614 /nfs/dbraw/zinc/00/86/14/848008614.db2.gz VEFCTBWATAPQTC-OAHLLOKOSA-N 0 0 404.513 4.190 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000032406098 848020487 /nfs/dbraw/zinc/02/04/87/848020487.db2.gz ROCRIMVBXMYLPB-UHFFFAOYSA-N 0 0 422.478 4.266 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)cc([N+](=O)[O-])c1 ZINC000032465536 848032301 /nfs/dbraw/zinc/03/23/01/848032301.db2.gz CJBWYPZSMCTOMQ-UHFFFAOYSA-N 0 0 410.430 4.198 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)n1cc([N+](=O)[O-])cn1 ZINC000436612615 861869231 /nfs/dbraw/zinc/86/92/31/861869231.db2.gz YHWUUFPKEIXLME-UHFFFAOYSA-N 0 0 423.454 4.147 20 5 HIBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000033652451 848137582 /nfs/dbraw/zinc/13/75/82/848137582.db2.gz CARFBNOSHMJSQS-BAQGIRSFSA-N 0 0 409.423 4.141 20 5 HIBDRN C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000036802238 848164355 /nfs/dbraw/zinc/16/43/55/848164355.db2.gz WKHLRGAOMOTHSK-CYBMUJFWSA-N 0 0 409.471 4.172 20 5 HIBDRN O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1csc([N+](=O)[O-])c1 ZINC000040393035 848197791 /nfs/dbraw/zinc/19/77/91/848197791.db2.gz BFXZVLKEWGJGLR-UHFFFAOYSA-N 0 0 414.314 4.358 20 5 HIBDRN CN(C)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000041843353 848256541 /nfs/dbraw/zinc/25/65/41/848256541.db2.gz YBTGQZNUIIWGDG-UHFFFAOYSA-N 0 0 419.363 4.118 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H](C)c2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000041882318 848261850 /nfs/dbraw/zinc/26/18/50/848261850.db2.gz RVCJFYFGCBMPPB-CYBMUJFWSA-N 0 0 406.529 4.436 20 5 HIBDRN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C2CC2)o1 ZINC000041895165 848262890 /nfs/dbraw/zinc/26/28/90/848262890.db2.gz YLVVRINJJSPADA-KSSFIOAISA-N 0 0 406.442 4.302 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000042003197 848273145 /nfs/dbraw/zinc/27/31/45/848273145.db2.gz CEYMJTAYXOXBFN-KRWDZBQOSA-N 0 0 417.465 4.179 20 5 HIBDRN Cn1c(COc2ccc(Cl)cc2)nnc1SCCc1ccc([N+](=O)[O-])cc1 ZINC000042131176 848291358 /nfs/dbraw/zinc/29/13/58/848291358.db2.gz PIEDCORHLMIFPA-UHFFFAOYSA-N 0 0 404.879 4.291 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1ccc(Br)o1 ZINC000042146547 848293494 /nfs/dbraw/zinc/29/34/94/848293494.db2.gz ZMUOJSAXCKKEJJ-JTQLQIEISA-N 0 0 407.224 4.193 20 5 HIBDRN CCn1c(SCc2ccc(OC)c([N+](=O)[O-])c2)nnc1-c1ccccc1OC ZINC000042152230 848294248 /nfs/dbraw/zinc/29/42/48/848294248.db2.gz GORVIVMDSQKJIE-UHFFFAOYSA-N 0 0 400.460 4.183 20 5 HIBDRN O=[N+]([O-])c1ccc(CCSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 ZINC000042151216 848294257 /nfs/dbraw/zinc/29/42/57/848294257.db2.gz HPWLOKDMGLVRJU-UHFFFAOYSA-N 0 0 407.455 4.224 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000042232493 848306360 /nfs/dbraw/zinc/30/63/60/848306360.db2.gz PBOIIQPTARPVAX-GOSISDBHSA-N 0 0 419.466 4.368 20 5 HIBDRN Cc1cccc(C)c1NC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000042342089 848319867 /nfs/dbraw/zinc/31/98/67/848319867.db2.gz BFDJCRRUSKFFRY-UHFFFAOYSA-N 0 0 419.437 4.372 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000042759846 848352699 /nfs/dbraw/zinc/35/26/99/848352699.db2.gz QXAOUTYJSHJVNA-UHFFFAOYSA-N 0 0 415.833 4.174 20 5 HIBDRN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000042918045 848365942 /nfs/dbraw/zinc/36/59/42/848365942.db2.gz YSUOJOBTUBABHW-HZMBPMFUSA-N 0 0 405.357 4.043 20 5 HIBDRN COc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl ZINC000042918163 848366007 /nfs/dbraw/zinc/36/60/07/848366007.db2.gz KTEMKUNESWKRBC-UHFFFAOYSA-N 0 0 400.765 4.430 20 5 HIBDRN CC(=O)c1cccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 ZINC000043239149 848397616 /nfs/dbraw/zinc/39/76/16/848397616.db2.gz RRIZFBTWULIAGQ-GOSISDBHSA-N 0 0 413.430 4.002 20 5 HIBDRN Cn1ccnc1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F ZINC000043342622 848411627 /nfs/dbraw/zinc/41/16/27/848411627.db2.gz DRUQCGBRCMSTKD-MRXNPFEDSA-N 0 0 403.801 4.032 20 5 HIBDRN O=C(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(Cl)ccc1Cl ZINC000043343092 848412194 /nfs/dbraw/zinc/41/21/94/848412194.db2.gz OIYWHMIIGSMWOT-UHFFFAOYSA-N 0 0 417.636 4.315 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000043738285 848456673 /nfs/dbraw/zinc/45/66/73/848456673.db2.gz XDEAJHVPHNWELL-ZDUSSCGKSA-N 0 0 401.488 4.242 20 5 HIBDRN C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000043838173 848475897 /nfs/dbraw/zinc/47/58/97/848475897.db2.gz CRWCMCPUAHVATC-NSHDSACASA-N 0 0 421.379 4.169 20 5 HIBDRN O=[N+]([O-])c1ccccc1CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000044171616 848525288 /nfs/dbraw/zinc/52/52/88/848525288.db2.gz BAKZUJTYOPCKNM-KRWDZBQOSA-N 0 0 414.462 4.464 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000044332775 848546508 /nfs/dbraw/zinc/54/65/08/848546508.db2.gz GESMGLNWIBHGEJ-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(COc1ccc(C(F)(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000044524188 848565759 /nfs/dbraw/zinc/56/57/59/848565759.db2.gz QLMHZYYMBINDMM-UHFFFAOYSA-N 0 0 406.263 4.233 20 5 HIBDRN Cc1cc(I)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000045051584 848628141 /nfs/dbraw/zinc/62/81/41/848628141.db2.gz URXKNSSFMVZMJL-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000045379431 848671866 /nfs/dbraw/zinc/67/18/66/848671866.db2.gz MFZFLLXPTYYGJY-UHFFFAOYSA-N 0 0 411.380 4.015 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000045397389 848673691 /nfs/dbraw/zinc/67/36/91/848673691.db2.gz HDTWQNPZSAEFRA-CQSZACIVSA-N 0 0 415.877 4.120 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000045397538 848674282 /nfs/dbraw/zinc/67/42/82/848674282.db2.gz AXJNXEWRONTCRK-CYBMUJFWSA-N 0 0 411.849 4.195 20 5 HIBDRN CC[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Cl)cc1 ZINC000045405500 848675951 /nfs/dbraw/zinc/67/59/51/848675951.db2.gz SEIWHSLBVSQGDH-LJQANCHMSA-N 0 0 402.882 4.231 20 5 HIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000045560533 848692042 /nfs/dbraw/zinc/69/20/42/848692042.db2.gz YJUROPMHSBNDLL-LIRRHRJNSA-N 0 0 416.499 4.456 20 5 HIBDRN Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1[N+](=O)[O-] ZINC000045622010 848704051 /nfs/dbraw/zinc/70/40/51/848704051.db2.gz GIRJFKWPRMPFPL-NRFANRHFSA-N 0 0 417.421 4.098 20 5 HIBDRN O=C(Nc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1Br ZINC000045625198 848704869 /nfs/dbraw/zinc/70/48/69/848704869.db2.gz RQGJKPDCURRYQB-UHFFFAOYSA-N 0 0 400.026 4.372 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(F)cc2Br)c([N+](=O)[O-])cc1OC ZINC000045990511 848767541 /nfs/dbraw/zinc/76/75/41/848767541.db2.gz QNJHOEQGKYDTFK-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc2ccccc2c2cccnc12 ZINC000046020152 848774585 /nfs/dbraw/zinc/77/45/85/848774585.db2.gz GKXNXOUDRVYFGF-UHFFFAOYSA-N 0 0 411.461 4.113 20 5 HIBDRN Cc1c(C(=O)NCc2ccccc2[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 ZINC000046147572 848789417 /nfs/dbraw/zinc/78/94/17/848789417.db2.gz XFMCLGDBUMYQQI-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN COc1ccc([C@@H](NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000046180775 848796671 /nfs/dbraw/zinc/79/66/71/848796671.db2.gz CLZUNQBINXAZPZ-NRFANRHFSA-N 0 0 416.499 4.113 20 5 HIBDRN COc1ccc([C@H](NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000046180773 848797018 /nfs/dbraw/zinc/79/70/18/848797018.db2.gz CLZUNQBINXAZPZ-OAQYLSRUSA-N 0 0 416.499 4.113 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1OC(F)F ZINC000046267471 848814572 /nfs/dbraw/zinc/81/45/72/848814572.db2.gz VBUOGAKRUVYDSH-UHFFFAOYSA-N 0 0 412.414 4.199 20 5 HIBDRN CCN(CC)C(=O)Cc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000046266636 848814769 /nfs/dbraw/zinc/81/47/69/848814769.db2.gz JVSVKZJIQIBQSV-OAHLLOKOSA-N 0 0 415.515 4.125 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000046533784 848869027 /nfs/dbraw/zinc/86/90/27/848869027.db2.gz ZOWOKWRBKCLVLD-UHFFFAOYSA-N 0 0 416.327 4.029 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1OC1CCCC1 ZINC000046688399 848911234 /nfs/dbraw/zinc/91/12/34/848911234.db2.gz PSGHKGGMYGPGEA-CQSZACIVSA-N 0 0 401.488 4.108 20 5 HIBDRN O=C(NCc1cccc(COCc2ccco2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000046710781 848915953 /nfs/dbraw/zinc/91/59/53/848915953.db2.gz QEQHKSHXTHDVCP-UHFFFAOYSA-N 0 0 400.818 4.488 20 5 HIBDRN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000046712840 848917271 /nfs/dbraw/zinc/91/72/71/848917271.db2.gz YADBEPZJPWLBCL-UHFFFAOYSA-N 0 0 404.348 4.072 20 5 HIBDRN Cc1ncc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000046770860 848931364 /nfs/dbraw/zinc/93/13/64/848931364.db2.gz DPHBTIVVKOUUQY-ZIAGYGMSSA-N 0 0 402.520 4.114 20 5 HIBDRN Cc1c(CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)cccc1[N+](=O)[O-] ZINC000046875516 848951481 /nfs/dbraw/zinc/95/14/81/848951481.db2.gz KSOVBMNNTONKHX-SFHVURJKSA-N 0 0 408.241 4.177 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cccc(Cl)c2N(C)C)cc1[N+](=O)[O-] ZINC000046880093 848952469 /nfs/dbraw/zinc/95/24/69/848952469.db2.gz VARLAKDXNBGIDA-UHFFFAOYSA-N 0 0 409.895 4.195 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1F)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000046877987 848952524 /nfs/dbraw/zinc/95/25/24/848952524.db2.gz ZENUZXKVBIMKQK-IBGZPJMESA-N 0 0 404.394 4.219 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2csc3ccccc23)cc1OC ZINC000046921135 848960183 /nfs/dbraw/zinc/96/01/83/848960183.db2.gz YJYNVXSIDJBZTG-UHFFFAOYSA-N 0 0 400.456 4.489 20 5 HIBDRN CCOc1cc(C(=O)N(C)Cc2csc3ccccc23)c([N+](=O)[O-])cc1OC ZINC000046921040 848960359 /nfs/dbraw/zinc/96/03/59/848960359.db2.gz SYGXPOMRCHEVMD-UHFFFAOYSA-N 0 0 400.456 4.489 20 5 HIBDRN COc1cc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000047127135 848989258 /nfs/dbraw/zinc/98/92/58/848989258.db2.gz LHDKUJFOWMHJFW-UHFFFAOYSA-N 0 0 413.474 4.266 20 5 HIBDRN CC(=O)Nc1cccc(-n2c(SCc3csc([N+](=O)[O-])c3)nnc2C2CC2)c1 ZINC000047172314 848997330 /nfs/dbraw/zinc/99/73/30/848997330.db2.gz DVIZJPQFRKMHKH-UHFFFAOYSA-N 0 0 415.500 4.365 20 5 HIBDRN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000047254599 849014488 /nfs/dbraw/zinc/01/44/88/849014488.db2.gz CLYPKBPJIKNCMQ-ZDUSSCGKSA-N 0 0 411.849 4.047 20 5 HIBDRN Cc1c(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000047355557 849031417 /nfs/dbraw/zinc/03/14/17/849031417.db2.gz SYHCWYBVWDMTKU-MRXNPFEDSA-N 0 0 411.439 4.314 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000047374459 849034286 /nfs/dbraw/zinc/03/42/86/849034286.db2.gz ALYBHEMYMMEUBD-JTQLQIEISA-N 0 0 405.501 4.326 20 5 HIBDRN CC(C)NC(=O)Nc1ccccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000047381027 849035695 /nfs/dbraw/zinc/03/56/95/849035695.db2.gz MJLLQSAWTOHQLV-ZDUSSCGKSA-N 0 0 402.476 4.244 20 5 HIBDRN Cn1nccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000047456987 849051103 /nfs/dbraw/zinc/05/11/03/849051103.db2.gz SEWGVKQQEYRRED-UHFFFAOYSA-N 0 0 402.863 4.063 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000047501669 849058081 /nfs/dbraw/zinc/05/80/81/849058081.db2.gz DCSUUSHMXSQRPP-HXUWFJFHSA-N 0 0 418.428 4.184 20 5 HIBDRN COc1ccc(OC)c([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000047864948 849129222 /nfs/dbraw/zinc/12/92/22/849129222.db2.gz QAYCTOHBPFULFK-JTQLQIEISA-N 0 0 411.361 4.096 20 5 HIBDRN Cc1occc1C(=O)Nc1cc(NC(=O)NCc2ccccc2[N+](=O)[O-])ccc1F ZINC000047890006 849132324 /nfs/dbraw/zinc/13/23/24/849132324.db2.gz QHOXJUFAOXAFEK-UHFFFAOYSA-N 0 0 412.377 4.209 20 5 HIBDRN COc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1Cl ZINC000047960062 849144592 /nfs/dbraw/zinc/14/45/92/849144592.db2.gz RWTLEPMDOVVEJP-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000048103995 849167279 /nfs/dbraw/zinc/16/72/79/849167279.db2.gz USHLLMQBVAKBNA-CVEARBPZSA-N 0 0 410.474 4.492 20 5 HIBDRN O=C(COc1ccc(Br)cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000048102713 849167403 /nfs/dbraw/zinc/16/74/03/849167403.db2.gz PXLAMJWDBMWHLP-UHFFFAOYSA-N 0 0 415.037 4.382 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000048125144 849172752 /nfs/dbraw/zinc/17/27/52/849172752.db2.gz UKLGUUCQEOSRRX-UHFFFAOYSA-N 0 0 408.389 4.308 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000048206010 849190313 /nfs/dbraw/zinc/19/03/13/849190313.db2.gz ASTJCHNWCOLGRL-CQSZACIVSA-N 0 0 419.466 4.424 20 5 HIBDRN Cc1c(CS(=O)(=O)[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000048717213 849258970 /nfs/dbraw/zinc/25/89/70/849258970.db2.gz WNTORMGPFBPPBM-OAHLLOKOSA-N 0 0 418.515 4.143 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000049603368 849313600 /nfs/dbraw/zinc/31/36/00/849313600.db2.gz LEAHNNHNILJOPB-NRFANRHFSA-N 0 0 406.442 4.157 20 5 HIBDRN CCCCOc1ccc(OC)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049730963 849322865 /nfs/dbraw/zinc/32/28/65/849322865.db2.gz BWHKPPIZBBJNAO-UHFFFAOYSA-N 0 0 410.430 4.220 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)F)cc1OC(F)F ZINC000049768881 849327616 /nfs/dbraw/zinc/32/76/16/849327616.db2.gz NYPNFACGBOOKRM-UHFFFAOYSA-N 0 0 417.315 4.238 20 5 HIBDRN O=C(COc1ccc(Br)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000049900914 849332724 /nfs/dbraw/zinc/33/27/24/849332724.db2.gz UCTYIHYTSOPFPB-UHFFFAOYSA-N 0 0 415.037 4.382 20 5 HIBDRN O=C(Nc1ccn(Cc2ccccc2)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050333119 849372570 /nfs/dbraw/zinc/37/25/70/849372570.db2.gz TZKMBSMPEIUIAA-UHFFFAOYSA-N 0 0 405.439 4.215 20 5 HIBDRN CCNC(=O)c1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)c1 ZINC000050334313 849373430 /nfs/dbraw/zinc/37/34/30/849373430.db2.gz PCFOBVOQNFMIHH-UHFFFAOYSA-N 0 0 410.455 4.029 20 5 HIBDRN O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050335256 849373605 /nfs/dbraw/zinc/37/36/05/849373605.db2.gz GLGCPINFXZBDCB-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000050861801 849415363 /nfs/dbraw/zinc/41/53/63/849415363.db2.gz XSMQHJRFZUVJEI-XXBNENTESA-N 0 0 407.470 4.176 20 5 HIBDRN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000050956772 849421903 /nfs/dbraw/zinc/42/19/03/849421903.db2.gz LZMODBJZUGGBDJ-PGRDOPGGSA-N 0 0 409.486 4.091 20 5 HIBDRN Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000436844856 862021788 /nfs/dbraw/zinc/02/17/88/862021788.db2.gz HOBAFPLYNDSCSW-MLGOLLRUSA-N 0 0 418.413 4.136 20 5 HIBDRN C[C@H](NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000051689678 849505303 /nfs/dbraw/zinc/50/53/03/849505303.db2.gz 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CCCc1nnc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 ZINC000052977931 849651079 /nfs/dbraw/zinc/65/10/79/849651079.db2.gz WKWZXJXUKOMGFL-GFCCVEGCSA-N 0 0 412.475 4.219 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N(Cc2ccccn2)C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053128957 849670062 /nfs/dbraw/zinc/67/00/62/849670062.db2.gz BFTNOOMZVLTAPE-MRXNPFEDSA-N 0 0 417.469 4.363 20 5 HIBDRN Cc1ncc(-c2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000053319626 849693217 /nfs/dbraw/zinc/69/32/17/849693217.db2.gz QLSJOQSGMBTOOD-UHFFFAOYSA-N 0 0 403.398 4.211 20 5 HIBDRN C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000053421361 849707609 /nfs/dbraw/zinc/70/76/09/849707609.db2.gz SDBNWQVXGGUABJ-GFCCVEGCSA-N 0 0 416.384 4.088 20 5 HIBDRN O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000053554108 849731085 /nfs/dbraw/zinc/73/10/85/849731085.db2.gz LUEWKNAZKHIZBQ-UHFFFAOYSA-N 0 0 408.788 4.262 20 5 HIBDRN O=C(NC1CC1)c1ccc(NCc2ccc(F)cc2Br)c([N+](=O)[O-])c1 ZINC000053582697 849734894 /nfs/dbraw/zinc/73/48/94/849734894.db2.gz ZDTIDWNLCGBENM-UHFFFAOYSA-N 0 0 408.227 4.001 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000053868637 849769842 /nfs/dbraw/zinc/76/98/42/849769842.db2.gz SPLSZFUFWSYKNQ-UHFFFAOYSA-N 0 0 413.430 4.286 20 5 HIBDRN Cc1nnc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)o1 ZINC000053965573 849783818 /nfs/dbraw/zinc/78/38/18/849783818.db2.gz UEVZRRZHXNWRLZ-UHFFFAOYSA-N 0 0 404.835 4.021 20 5 HIBDRN CC[C@@H]1CCc2nc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000054086730 849809240 /nfs/dbraw/zinc/80/92/40/849809240.db2.gz GVZVAAAYGONKME-GFCCVEGCSA-N 0 0 411.487 4.219 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000054196008 849824925 /nfs/dbraw/zinc/82/49/25/849824925.db2.gz RHCGGZMIJQZLSL-ZIAGYGMSSA-N 0 0 401.488 4.242 20 5 HIBDRN CC(=O)Nc1cccc2c1CCCN2[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000054367941 849853094 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ZINC000055633119 850085521 /nfs/dbraw/zinc/08/55/21/850085521.db2.gz XCHCWJLILUPVGC-UHFFFAOYSA-N 0 0 402.428 4.014 20 5 HIBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000055731344 850127962 /nfs/dbraw/zinc/12/79/62/850127962.db2.gz RWKSQRXJHYWSHK-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000055754717 850136837 /nfs/dbraw/zinc/13/68/37/850136837.db2.gz LXJOAIUEOUJLPM-MRXNPFEDSA-N 0 0 410.474 4.050 20 5 HIBDRN COc1cc(C(=O)Nc2ccccc2OCC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000055766917 850144494 /nfs/dbraw/zinc/14/44/94/850144494.db2.gz XKAMSFSKFDKASX-UHFFFAOYSA-N 0 0 410.373 4.492 20 5 HIBDRN Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000055803095 850157660 /nfs/dbraw/zinc/15/76/60/850157660.db2.gz OIYDZPQPJHJNQU-UHFFFAOYSA-N 0 0 418.453 4.474 20 5 HIBDRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cccc([N+](=O)[O-])c3C)c2)cc1 ZINC000055802604 850157832 /nfs/dbraw/zinc/15/78/32/850157832.db2.gz 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C[C@H](NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000056407308 850352418 /nfs/dbraw/zinc/35/24/18/850352418.db2.gz UUWNGWJQPIPMHC-AWEZNQCLSA-N 0 0 410.405 4.482 20 5 HIBDRN COc1cc2c(cc1OC)CCN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CC2 ZINC000056462299 850371994 /nfs/dbraw/zinc/37/19/94/850371994.db2.gz IAGAWSXULJCSFS-UHFFFAOYSA-N 0 0 412.467 4.068 20 5 HIBDRN Cc1c(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000056530763 850385220 /nfs/dbraw/zinc/38/52/20/850385220.db2.gz FBJPYHMXKSWGFP-UHFFFAOYSA-N 0 0 403.866 4.427 20 5 HIBDRN O=C(NCC1(c2ccc(F)cc2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000056530321 850385378 /nfs/dbraw/zinc/38/53/78/850385378.db2.gz CDILNCIZRRWUAT-UHFFFAOYSA-N 0 0 407.829 4.257 20 5 HIBDRN CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000057014479 850533866 /nfs/dbraw/zinc/53/38/66/850533866.db2.gz QKPKKRUWXYBFKI-ZDUSSCGKSA-N 0 0 404.444 4.121 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000057130442 850558143 /nfs/dbraw/zinc/55/81/43/850558143.db2.gz PQHDELDYNCYMCG-UHFFFAOYSA-N 0 0 401.875 4.407 20 5 HIBDRN O=C(c1cccc(Cl)c1)N1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057141576 850560260 /nfs/dbraw/zinc/56/02/60/850560260.db2.gz URJXUDGYNYACAT-UHFFFAOYSA-N 0 0 410.861 4.149 20 5 HIBDRN O=C(c1ccc(Cl)cc1)N1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000057141556 850560485 /nfs/dbraw/zinc/56/04/85/850560485.db2.gz YEIXPVXVMIYSKG-UHFFFAOYSA-N 0 0 410.861 4.149 20 5 HIBDRN CCc1ccccc1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000057203195 850578759 /nfs/dbraw/zinc/57/87/59/850578759.db2.gz FHDVUGWKEQCMIN-UHFFFAOYSA-N 0 0 413.455 4.454 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000057569176 850672339 /nfs/dbraw/zinc/67/23/39/850672339.db2.gz CSVRXGQFFKCELR-QZTJIDSGSA-N 0 0 419.403 4.066 20 5 HIBDRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057835968 850727620 /nfs/dbraw/zinc/72/76/20/850727620.db2.gz 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PNZVSCHUABIPBE-ZDUSSCGKSA-N 0 0 407.348 4.014 20 5 HIBDRN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)CCCNc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000142314924 853493237 /nfs/dbraw/zinc/49/32/37/853493237.db2.gz YLIMOVZIWIFEHU-HXUWFJFHSA-N 0 0 407.474 4.335 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000143408424 853514699 /nfs/dbraw/zinc/51/46/99/853514699.db2.gz DOQJGQFWXUUXOT-UHFFFAOYSA-N 0 0 412.465 4.051 20 5 HIBDRN Cc1sc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000143752640 853520983 /nfs/dbraw/zinc/52/09/83/853520983.db2.gz RERVEEPHUDKISF-UHFFFAOYSA-N 0 0 406.467 4.293 20 5 HIBDRN Cc1c(NC(=O)C(=O)Nc2cccc(OCc3cccc(F)c3)c2)cccc1[N+](=O)[O-] ZINC000437251305 862475270 /nfs/dbraw/zinc/47/52/70/862475270.db2.gz ZRJWBBVMCNEMHG-UHFFFAOYSA-N 0 0 423.400 4.199 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(Cc1ccco1)Cc1cccs1 ZINC000146461060 853570717 /nfs/dbraw/zinc/57/07/17/853570717.db2.gz PHKMYKSKVHETLZ-UHFFFAOYSA-N 0 0 412.876 4.294 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCC[C@H](OCC)C2)c([N+](=O)[O-])cc1OCCC ZINC000146848415 853577734 /nfs/dbraw/zinc/57/77/34/853577734.db2.gz VVIWAXDNNIZRHJ-HNNXBMFYSA-N 0 0 409.483 4.205 20 5 HIBDRN CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146881849 853578622 /nfs/dbraw/zinc/57/86/22/853578622.db2.gz RWGKASDEWPIGFL-UHFFFAOYSA-N 0 0 408.785 4.088 20 5 HIBDRN COc1cc(CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F ZINC000147462311 853588959 /nfs/dbraw/zinc/58/89/59/853588959.db2.gz YKKAEJWHYLTHOO-UHFFFAOYSA-N 0 0 406.385 4.318 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)cc([N+](=O)[O-])c1 ZINC000147649023 853592004 /nfs/dbraw/zinc/59/20/04/853592004.db2.gz JDCDONYNDPFALM-UHFFFAOYSA-N 0 0 405.458 4.449 20 5 HIBDRN CCN(C[C@H]1CCOC1)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000149122219 853617987 /nfs/dbraw/zinc/61/79/87/853617987.db2.gz XBLAKCAAGWSHRD-CYBMUJFWSA-N 0 0 407.517 4.010 20 5 HIBDRN COc1ccc(N(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1OC ZINC000149726522 853629508 /nfs/dbraw/zinc/62/95/08/853629508.db2.gz UBFXVVZMECZOCW-UHFFFAOYSA-N 0 0 413.474 4.125 20 5 HIBDRN CC1(C)CC(=O)c2cc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)ccc2O1 ZINC000170503656 853666889 /nfs/dbraw/zinc/66/68/89/853666889.db2.gz KRNHPFBEBYCIFJ-UHFFFAOYSA-N 0 0 409.442 4.191 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000170343160 853667078 /nfs/dbraw/zinc/66/70/78/853667078.db2.gz OOTIOXWUCXVEAB-UHFFFAOYSA-N 0 0 409.829 4.093 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCCOc1cccc(Br)c1 ZINC000195536920 853671162 /nfs/dbraw/zinc/67/11/62/853671162.db2.gz SRPDDPFSRLCEKX-UHFFFAOYSA-N 0 0 407.264 4.175 20 5 HIBDRN CSc1ccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000195589298 853700505 /nfs/dbraw/zinc/70/05/05/853700505.db2.gz GQENRTSIQHSFML-UHFFFAOYSA-N 0 0 400.378 4.188 20 5 HIBDRN O=C(CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccc2ccccc21 ZINC000437262488 862496931 /nfs/dbraw/zinc/49/69/31/862496931.db2.gz KHCIGNNEHRGCAA-UHFFFAOYSA-N 0 0 417.343 4.135 20 5 HIBDRN Cc1cccc(OCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000195596916 853704745 /nfs/dbraw/zinc/70/47/45/853704745.db2.gz VYBDFVGMJTXNNF-LJQANCHMSA-N 0 0 400.431 4.388 20 5 HIBDRN Cc1nn(C)c(C(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000195642054 853733885 /nfs/dbraw/zinc/73/38/85/853733885.db2.gz PFONKFKAYSZQQF-UHFFFAOYSA-N 0 0 419.268 4.463 20 5 HIBDRN CC(C)CCOC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000195653803 853739570 /nfs/dbraw/zinc/73/95/70/853739570.db2.gz IWTFLVAJVRUBCJ-UHFFFAOYSA-N 0 0 401.410 4.255 20 5 HIBDRN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000437263023 862495394 /nfs/dbraw/zinc/49/53/94/862495394.db2.gz PRSRBLDQWMOLEN-KRWDZBQOSA-N 0 0 424.501 4.440 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000195662117 853743085 /nfs/dbraw/zinc/74/30/85/853743085.db2.gz ZCURCCZTOWDOPD-UHFFFAOYSA-N 0 0 414.458 4.168 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000195673047 853750478 /nfs/dbraw/zinc/75/04/78/853750478.db2.gz GXWKDAQADMBGCP-UHFFFAOYSA-N 0 0 411.483 4.171 20 5 HIBDRN O=C(COc1ccc2ccccc2c1Br)NCc1cccc([N+](=O)[O-])c1 ZINC000195716044 853775781 /nfs/dbraw/zinc/77/57/81/853775781.db2.gz UMYOGZAYEDMMSW-UHFFFAOYSA-N 0 0 415.243 4.206 20 5 HIBDRN C[C@H](OC(=O)/C=C\c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000207193269 853801444 /nfs/dbraw/zinc/80/14/44/853801444.db2.gz PTNSNZRMTNYEDL-NJHLSQGMSA-N 0 0 409.225 4.485 20 5 HIBDRN O=C(CSc1n[nH]c(C=Cc2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000207214931 853802255 /nfs/dbraw/zinc/80/22/55/853802255.db2.gz AKPQOWJRFDLLGO-TWGQIWQCSA-N 0 0 415.862 4.268 20 5 HIBDRN C[C@@H](OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000211545217 853816422 /nfs/dbraw/zinc/81/64/22/853816422.db2.gz ZDRUTDIQVOBIRD-KSHIFHCESA-N 0 0 409.225 4.485 20 5 HIBDRN COc1cc(-c2nnc(S/C=C\c3ccc([N+](=O)[O-])o3)o2)cc(OC)c1OC ZINC000214731074 853830956 /nfs/dbraw/zinc/83/09/56/853830956.db2.gz ULEYHHGGTMXFPI-SREVYHEPSA-N 0 0 405.388 4.027 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1 ZINC000216419681 853852621 /nfs/dbraw/zinc/85/26/21/853852621.db2.gz WYXQNNWXSCDFAG-CQSZACIVSA-N 0 0 411.487 4.301 20 5 HIBDRN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)ccc1OC(F)F ZINC000216735783 853858049 /nfs/dbraw/zinc/85/80/49/853858049.db2.gz SSUOYAUVQDKEAU-UHFFFAOYSA-N 0 0 406.263 4.476 20 5 HIBDRN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000216814250 853858804 /nfs/dbraw/zinc/85/88/04/853858804.db2.gz RIUDWVSFIOPBPJ-UHFFFAOYSA-N 0 0 423.498 4.141 20 5 HIBDRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000217731686 853862108 /nfs/dbraw/zinc/86/21/08/853862108.db2.gz UCPWALACTIGNKI-GWKQRERASA-N 0 0 409.486 4.491 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1OC(F)F)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000217384232 853862343 /nfs/dbraw/zinc/86/23/43/853862343.db2.gz LYUPJKWATSPWPW-LLVKDONJSA-N 0 0 413.808 4.309 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)Nc2ccccc2Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000218361374 853863339 /nfs/dbraw/zinc/86/33/39/853863339.db2.gz QPMQPXRHLAMHTC-UHFFFAOYSA-N 0 0 404.426 4.015 20 5 HIBDRN CN(C(=O)c1cc(Cl)ccc1I)c1ccc([N+](=O)[O-])cc1 ZINC000221925377 853875966 /nfs/dbraw/zinc/87/59/66/853875966.db2.gz AFFQWIWZDFGHTM-UHFFFAOYSA-N 0 0 416.602 4.129 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(Br)sc1Br ZINC000227270288 853884274 /nfs/dbraw/zinc/88/42/74/853884274.db2.gz NNXGYJUZQKBYIX-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)cc1I ZINC000230204557 853895165 /nfs/dbraw/zinc/89/51/65/853895165.db2.gz TZUIPKLLFZTWNH-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN COc1cc(CNc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237270343 853994539 /nfs/dbraw/zinc/99/45/39/853994539.db2.gz MPSNEAWMHIIUOZ-UHFFFAOYSA-N 0 0 413.352 4.115 20 5 HIBDRN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nnnn1-c1ccccc1 ZINC000237421713 854029771 /nfs/dbraw/zinc/02/97/71/854029771.db2.gz BEJNKRWRYVMBCS-CYBMUJFWSA-N 0 0 424.848 4.335 20 5 HIBDRN Cc1ccc([C@H](NCc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237646176 854067697 /nfs/dbraw/zinc/06/76/97/854067697.db2.gz RCZHPODRGWGUAB-QFIPXVFZSA-N 0 0 410.495 4.186 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNCc3ccc(OCC(F)(F)F)nc3)cs2)c1 ZINC000237685311 854075233 /nfs/dbraw/zinc/07/52/33/854075233.db2.gz WSHOXNFFHKFNPG-UHFFFAOYSA-N 0 0 424.404 4.344 20 5 HIBDRN Cc1cc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)n(CCO)n1 ZINC000237854632 854108704 /nfs/dbraw/zinc/10/87/04/854108704.db2.gz RSQAXKPSLQYCCA-UHFFFAOYSA-N 0 0 402.838 4.150 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CNc2cc(-c3ccccc3)nn2CCO)o1 ZINC000238206659 854152927 /nfs/dbraw/zinc/15/29/27/854152927.db2.gz AADKAGLJCPXAJF-UHFFFAOYSA-N 0 0 404.426 4.323 20 5 HIBDRN Cc1c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000247973869 854170720 /nfs/dbraw/zinc/17/07/20/854170720.db2.gz BPFRDHJJQMKUKE-UHFFFAOYSA-N 0 0 402.363 4.326 20 5 HIBDRN CC(C)NC(=O)c1ccc(NCc2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])c1 ZINC000247993928 854171461 /nfs/dbraw/zinc/17/14/61/854171461.db2.gz LUAMCOKBCFRSRD-UHFFFAOYSA-N 0 0 419.865 4.160 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(Nc3ccccc3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000253599782 854208223 /nfs/dbraw/zinc/20/82/23/854208223.db2.gz VBGXONMBBDDRES-UHFFFAOYSA-N 0 0 414.425 4.480 20 5 HIBDRN O=C(NCCCSc1ccc(F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000255944950 854226535 /nfs/dbraw/zinc/22/65/35/854226535.db2.gz ZYTYETLWLPWDMS-UHFFFAOYSA-N 0 0 403.479 4.246 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000261406099 854250756 /nfs/dbraw/zinc/25/07/56/854250756.db2.gz AZQFORUNFFPXDB-UHFFFAOYSA-N 0 0 414.418 4.214 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000301058975 854283558 /nfs/dbraw/zinc/28/35/58/854283558.db2.gz OPIQXUPFBPNNFI-INIZCTEOSA-N 0 0 405.454 4.394 20 5 HIBDRN 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CC1CCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)CC1 ZINC000301884345 854484281 /nfs/dbraw/zinc/48/42/81/854484281.db2.gz NVAFTPYFNBFTAD-UHFFFAOYSA-N 0 0 403.523 4.247 20 5 HIBDRN CC(C)(C)Oc1cc(N2CCN(c3ncnc4sccc43)CC2)ccc1[N+](=O)[O-] ZINC000301886427 854484331 /nfs/dbraw/zinc/48/43/31/854484331.db2.gz PACVIQBNNASLBR-UHFFFAOYSA-N 0 0 413.503 4.103 20 5 HIBDRN C[C@@H]1CCCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)C1 ZINC000301892250 854486596 /nfs/dbraw/zinc/48/65/96/854486596.db2.gz RXKQFNBMVUIHIN-MRXNPFEDSA-N 0 0 403.523 4.247 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H](Cc2ccccc2)c2ccccc2)s1 ZINC000301929451 854495680 /nfs/dbraw/zinc/49/56/80/854495680.db2.gz NKPZZIALUSFAMJ-INIZCTEOSA-N 0 0 402.497 4.456 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCC(OCc2ccccc2F)CC1 ZINC000301943530 854500470 /nfs/dbraw/zinc/50/04/70/854500470.db2.gz YICRUELUFFQZCS-UHFFFAOYSA-N 0 0 410.243 4.077 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CCCc2ccc(F)cc21 ZINC000301956449 854504231 /nfs/dbraw/zinc/50/42/31/854504231.db2.gz LTNNWCPOQWWKJP-CQSZACIVSA-N 0 0 400.378 4.220 20 5 HIBDRN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c1 ZINC000301959089 854504583 /nfs/dbraw/zinc/50/45/83/854504583.db2.gz PEPWQEALSWOJIS-UHFFFAOYSA-N 0 0 408.389 4.084 20 5 HIBDRN Cc1cc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301983070 854508807 /nfs/dbraw/zinc/50/88/07/854508807.db2.gz BQXVLHMWIOTOLU-INIZCTEOSA-N 0 0 406.490 4.153 20 5 HIBDRN Cc1cc(N2CCC(CNC(=O)OC(C)(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302014749 854516590 /nfs/dbraw/zinc/51/65/90/854516590.db2.gz LIWAXYZOMIZGAS-UHFFFAOYSA-N 0 0 400.479 4.193 20 5 HIBDRN O=C(c1cc(N[C@H]2CCN(c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000302021283 854517167 /nfs/dbraw/zinc/51/71/67/854517167.db2.gz NYCGCFJKWKAPCW-KRWDZBQOSA-N 0 0 414.893 4.175 20 5 HIBDRN O=C(C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC000302035867 854519504 /nfs/dbraw/zinc/51/95/04/854519504.db2.gz PELIJFOBWRKLKY-CYBMUJFWSA-N 0 0 408.227 4.133 20 5 HIBDRN Cc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302038602 854519865 /nfs/dbraw/zinc/51/98/65/854519865.db2.gz VPSNRUYHBHPYFT-UHFFFAOYSA-N 0 0 410.861 4.067 20 5 HIBDRN Cc1ccc(Cl)c2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)nc12 ZINC000302034175 854519959 /nfs/dbraw/zinc/51/99/59/854519959.db2.gz JKQPWMDTXANDBI-UHFFFAOYSA-N 0 0 416.890 4.129 20 5 HIBDRN O=C(c1cc(N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000302034212 854519996 /nfs/dbraw/zinc/51/99/96/854519996.db2.gz TXOSKEWESQMCFJ-UYAOXDASSA-N 0 0 417.412 4.051 20 5 HIBDRN COC(=O)c1cc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc(C)c1[N+](=O)[O-] ZINC000302068444 854526393 /nfs/dbraw/zinc/52/63/93/854526393.db2.gz XBHSKLZRNMOYCF-KRWDZBQOSA-N 0 0 424.375 4.287 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)nc1 ZINC000302087483 854529430 /nfs/dbraw/zinc/52/94/30/854529430.db2.gz FMDZGRDATWRSNG-UHFFFAOYSA-N 0 0 415.906 4.089 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCN(c3nnc(-c4ccccc4Cl)s3)CC2)cc1 ZINC000302131062 854534947 /nfs/dbraw/zinc/53/49/47/854534947.db2.gz GTMZRXMHUXRVDU-UHFFFAOYSA-N 0 0 401.879 4.093 20 5 HIBDRN O=[N+]([O-])c1cnc(NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)nc1 ZINC000302143263 854536652 /nfs/dbraw/zinc/53/66/52/854536652.db2.gz GCLYRMFBMVXOAH-QGZVFWFLSA-N 0 0 415.906 4.311 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(c3nc(-c4ccccn4)no3)CC2)c(OC(F)F)c1 ZINC000302152375 854538045 /nfs/dbraw/zinc/53/80/45/854538045.db2.gz LBDZTGHSHLQKLC-UHFFFAOYSA-N 0 0 417.372 4.025 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1OC(F)F ZINC000302159742 854539779 /nfs/dbraw/zinc/53/97/79/854539779.db2.gz JORZBTNKKBWVEO-LLVKDONJSA-N 0 0 406.311 4.253 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCO[C@@]3(CCc4ccccc43)C2)nc1OCc1ccccc1 ZINC000302167335 854540558 /nfs/dbraw/zinc/54/05/58/854540558.db2.gz KFRVFQHARCOUJA-DEOSSOPVSA-N 0 0 417.465 4.247 20 5 HIBDRN Cn1cc([C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000302342097 854562409 /nfs/dbraw/zinc/56/24/09/854562409.db2.gz BYSOUGXWEGEFBA-KRWDZBQOSA-N 0 0 405.227 4.431 20 5 HIBDRN O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000302381470 854566335 /nfs/dbraw/zinc/56/63/35/854566335.db2.gz ICXIQXFAMPDSFO-UHFFFAOYSA-N 0 0 411.355 4.469 20 5 HIBDRN O=C1CCc2cc(Nc3ncc(Br)cc3[N+](=O)[O-])ccc2N1CC1CC1 ZINC000302452689 854572079 /nfs/dbraw/zinc/57/20/79/854572079.db2.gz TWJJSHRKLGNAIO-UHFFFAOYSA-N 0 0 417.263 4.185 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000302466501 854573194 /nfs/dbraw/zinc/57/31/94/854573194.db2.gz SPAWFTJLUNHDPT-UHFFFAOYSA-N 0 0 417.771 4.030 20 5 HIBDRN Cc1cc(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)ncc1[N+](=O)[O-] ZINC000302487428 854575383 /nfs/dbraw/zinc/57/53/83/854575383.db2.gz ZEJFAYKOPMQTNI-UHFFFAOYSA-N 0 0 408.380 4.034 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC ZINC000302657434 854598788 /nfs/dbraw/zinc/59/87/88/854598788.db2.gz COWATYXDXIUCSQ-LLVKDONJSA-N 0 0 423.263 4.256 20 5 HIBDRN Cc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302698069 854607165 /nfs/dbraw/zinc/60/71/65/854607165.db2.gz UCHRCRLEWBDXNL-UHFFFAOYSA-N 0 0 414.300 4.159 20 5 HIBDRN CC(C)NC(=O)c1ccc(N2CCc3cc(Br)ccc3C2)c([N+](=O)[O-])c1 ZINC000302710558 854610395 /nfs/dbraw/zinc/61/03/95/854610395.db2.gz KLJMPYSNQFXFMA-UHFFFAOYSA-N 0 0 418.291 4.058 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)cc1[N+](=O)[O-] ZINC000302765226 854627277 /nfs/dbraw/zinc/62/72/77/854627277.db2.gz PQKUAYLHWRPCDT-NSHDSACASA-N 0 0 423.263 4.256 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3nc(-c4ccccc4Cl)cs3)C2)nc1 ZINC000302771982 854629911 /nfs/dbraw/zinc/62/99/11/854629911.db2.gz CKWHSDOWKDMYCU-GFCCVEGCSA-N 0 0 401.879 4.458 20 5 HIBDRN Cc1cc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C)n1C(C)C ZINC000302840423 854651406 /nfs/dbraw/zinc/65/14/06/854651406.db2.gz AVCFXELWTQTQSC-IBGZPJMESA-N 0 0 415.490 4.407 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cccc([N+](=O)[O-])c3C)CCCC2)c1 ZINC000302921712 854681237 /nfs/dbraw/zinc/68/12/37/854681237.db2.gz OSLXLIIOSRXVBF-UHFFFAOYSA-N 0 0 416.499 4.245 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)n2)cc1[N+](=O)[O-] ZINC000302921697 854681345 /nfs/dbraw/zinc/68/13/45/854681345.db2.gz OPKMZAWOOPMMHL-KZULUSFZSA-N 0 0 411.439 4.194 20 5 HIBDRN O=C(Nc1ccc(Sc2nncs2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303082921 854752697 /nfs/dbraw/zinc/75/26/97/854752697.db2.gz WJFJKKMJCXBRHI-UHFFFAOYSA-N 0 0 424.467 4.036 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000303100562 854759975 /nfs/dbraw/zinc/75/99/75/854759975.db2.gz HMBLBFKNDOUSCJ-OAQYLSRUSA-N 0 0 421.522 4.494 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cccc1[N+](=O)[O-] ZINC000303122124 854770869 /nfs/dbraw/zinc/77/08/69/854770869.db2.gz NHZBFTRNNSWDFZ-OAHLLOKOSA-N 0 0 410.405 4.112 20 5 HIBDRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000303175874 854801123 /nfs/dbraw/zinc/80/11/23/854801123.db2.gz CCIJPBPAKNAYJB-LLVKDONJSA-N 0 0 400.435 4.360 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000303251918 854836307 /nfs/dbraw/zinc/83/63/07/854836307.db2.gz BMJBSIUCWIBENC-DEOSSOPVSA-N 0 0 418.449 4.204 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(F)cc1Cl ZINC000303289713 854854354 /nfs/dbraw/zinc/85/43/54/854854354.db2.gz KKELBSUVVBGWKC-SNVBAGLBSA-N 0 0 400.237 4.500 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H](C)Cc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000303385684 854903951 /nfs/dbraw/zinc/90/39/51/854903951.db2.gz NPXPAXHKZWADSZ-INIZCTEOSA-N 0 0 402.516 4.201 20 5 HIBDRN CCCc1n[nH]c(C(=O)N2CCC(CCc3ccc(OCC)cc3)CC2)c1[N+](=O)[O-] ZINC000303403709 854911002 /nfs/dbraw/zinc/91/10/02/854911002.db2.gz PLIBLWAVTPRYHS-UHFFFAOYSA-N 0 0 414.506 4.154 20 5 HIBDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303429013 854929844 /nfs/dbraw/zinc/92/98/44/854929844.db2.gz BLPCQLJDRBRPIU-NSHDSACASA-N 0 0 419.359 4.228 20 5 HIBDRN CCCCC1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000303444104 854942537 /nfs/dbraw/zinc/94/25/37/854942537.db2.gz IFYJUPMHEBFYIV-GPANFISMSA-N 0 0 407.536 4.126 20 5 HIBDRN O=C(Nc1ccc2c3c(cccc31)CC2)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000303534399 855021240 /nfs/dbraw/zinc/02/12/40/855021240.db2.gz XFXVLLFVKJJJFL-QGZVFWFLSA-N 0 0 421.478 4.151 20 5 HIBDRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000303555948 855037726 /nfs/dbraw/zinc/03/77/26/855037726.db2.gz WRBSFWMPFGEAMJ-CYBMUJFWSA-N 0 0 418.375 4.160 20 5 HIBDRN Cc1c(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000303565983 855043978 /nfs/dbraw/zinc/04/39/78/855043978.db2.gz XYRKLSQCQFFYIQ-MRXNPFEDSA-N 0 0 405.857 4.090 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000437353475 862633896 /nfs/dbraw/zinc/63/38/96/862633896.db2.gz CUSNSYSYPYXMHG-GXFFZTMASA-N 0 0 404.266 4.317 20 5 HIBDRN CN(C(=O)c1cc2ccccc2c2cccnc12)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000303572541 855048393 /nfs/dbraw/zinc/04/83/93/855048393.db2.gz YSIXGUVGLDECFP-JOCHJYFZSA-N 0 0 413.452 4.405 20 5 HIBDRN O=C(c1cccc(Oc2ccccc2)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303696369 855138075 /nfs/dbraw/zinc/13/80/75/855138075.db2.gz NFFSZQLVNWBXNI-QGZVFWFLSA-N 0 0 404.426 4.109 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc3ccccc3c3cccnc23)cc([N+](=O)[O-])c1 ZINC000303764562 855183818 /nfs/dbraw/zinc/18/38/18/855183818.db2.gz LRTJAVADEIACQQ-UHFFFAOYSA-N 0 0 401.378 4.335 20 5 HIBDRN COc1ccc(Br)cc1SCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000303818280 855219836 /nfs/dbraw/zinc/21/98/36/855219836.db2.gz DJMFEDNRTYRBIT-UHFFFAOYSA-N 0 0 411.277 4.121 20 5 HIBDRN CCc1c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cnn1Cc1ccccc1 ZINC000303817884 855220437 /nfs/dbraw/zinc/22/04/37/855220437.db2.gz OSNTVURFKWIIHZ-UHFFFAOYSA-N 0 0 406.486 4.155 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417.303 4.397 20 5 HIBDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000428253051 857127249 /nfs/dbraw/zinc/12/72/49/857127249.db2.gz OKFLAURKYXWTLU-UHFFFAOYSA-N 0 0 401.835 4.444 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000437542227 862875868 /nfs/dbraw/zinc/87/58/68/862875868.db2.gz YIVPGYYHCDBVNY-UHFFFAOYSA-N 0 0 400.398 4.003 20 5 HIBDRN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)C2)cc1 ZINC000428332884 857157650 /nfs/dbraw/zinc/15/76/50/857157650.db2.gz TVKLLPHSNDOJDT-SJLPKXTDSA-N 0 0 405.454 4.235 20 5 HIBDRN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)C2)cc1 ZINC000428332878 857157778 /nfs/dbraw/zinc/15/77/78/857157778.db2.gz TVKLLPHSNDOJDT-AEFFLSMTSA-N 0 0 405.454 4.235 20 5 HIBDRN Cc1cc(C)c(NC(=O)CN(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000428369559 857178610 /nfs/dbraw/zinc/17/86/10/857178610.db2.gz JPEKZCKRRSCDCP-KRWDZBQOSA-N 0 0 412.490 4.170 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000428400818 857190705 /nfs/dbraw/zinc/19/07/05/857190705.db2.gz DVZDYHNIYWWCHP-UHFFFAOYSA-N 0 0 402.454 4.260 20 5 HIBDRN CCOc1nc(C(F)(F)F)ccc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000428511246 857233444 /nfs/dbraw/zinc/23/34/44/857233444.db2.gz BBMYRPZXQSNLLH-UHFFFAOYSA-N 0 0 409.364 4.212 20 5 HIBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC[C@H]2CCC[C@H]21 ZINC000428516468 857236001 /nfs/dbraw/zinc/23/60/01/857236001.db2.gz MSESTLCBMKFXEM-CZUORRHYSA-N 0 0 411.424 4.231 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000428607475 857277075 /nfs/dbraw/zinc/27/70/75/857277075.db2.gz PNBAQKCITGVRFL-LBPRGKRZSA-N 0 0 415.833 4.397 20 5 HIBDRN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCC[C@H]1CCO ZINC000428633711 857283696 /nfs/dbraw/zinc/28/36/96/857283696.db2.gz XCMAMHIVPTUIMZ-AWEZNQCLSA-N 0 0 406.891 4.386 20 5 HIBDRN CC[C@]1(O)CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000428728457 857311694 /nfs/dbraw/zinc/31/16/94/857311694.db2.gz RRYWUWQZBIBUJS-IBGZPJMESA-N 0 0 406.891 4.386 20 5 HIBDRN Cc1cc(C2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)ccc1Br ZINC000428773518 857330397 /nfs/dbraw/zinc/33/03/97/857330397.db2.gz QKKGTZTWAKDPRJ-UHFFFAOYSA-N 0 0 418.291 4.268 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000428789891 857340441 /nfs/dbraw/zinc/34/04/41/857340441.db2.gz PRGKGLFENYIYRS-SGTLLEGYSA-N 0 0 420.391 4.452 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCC[C@H]3CCO)cc2[N+](=O)[O-])cc1 ZINC000428791188 857341530 /nfs/dbraw/zinc/34/15/30/857341530.db2.gz YYKSYNUHYDZDNV-MAUKXSAKSA-N 0 0 400.500 4.335 20 5 HIBDRN O=C(N[C@@H]1CCC[C@@H]1CCO)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000428792890 857342679 /nfs/dbraw/zinc/34/26/79/857342679.db2.gz JBIOTLOGXOEANT-AUUYWEPGSA-N 0 0 417.893 4.141 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000428872931 857381255 /nfs/dbraw/zinc/38/12/55/857381255.db2.gz QCQGBCZFSLESGZ-HOCLYGCPSA-N 0 0 420.849 4.082 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000428881652 857386610 /nfs/dbraw/zinc/38/66/10/857386610.db2.gz NXUAOXSZIZDEGH-CYBMUJFWSA-N 0 0 422.869 4.295 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000428884692 857388705 /nfs/dbraw/zinc/38/87/05/857388705.db2.gz HWZOKOPGCIVUNT-DLBZAZTESA-N 0 0 412.490 4.179 20 5 HIBDRN COC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC(F)F)c1 ZINC000428902293 857402248 /nfs/dbraw/zinc/40/22/48/857402248.db2.gz QHEIBHFFKCHTCY-NSHDSACASA-N 0 0 423.372 4.174 20 5 HIBDRN COc1cc(Cl)c(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000428909337 857407405 /nfs/dbraw/zinc/40/74/05/857407405.db2.gz BZHOWOBUZDMDBT-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428932142 857423849 /nfs/dbraw/zinc/42/38/49/857423849.db2.gz IWEWMXZJVKZKRN-XIKOKIGWSA-N 0 0 420.391 4.452 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000428960178 857434697 /nfs/dbraw/zinc/43/46/97/857434697.db2.gz HYDBFNXNYKYHJZ-NSHDSACASA-N 0 0 413.352 4.062 20 5 HIBDRN COCCOc1c(Cl)cccc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000429045578 857474049 /nfs/dbraw/zinc/47/40/49/857474049.db2.gz KFOUKMDZORAHKL-ZDUSSCGKSA-N 0 0 407.854 4.465 20 5 HIBDRN CCOC(=O)Cn1ccc2cc(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc21 ZINC000429058616 857484509 /nfs/dbraw/zinc/48/45/09/857484509.db2.gz GIBHOSIFZBNDIO-OAHLLOKOSA-N 0 0 424.457 4.304 20 5 HIBDRN COc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c(Br)c1OC ZINC000429240646 857570484 /nfs/dbraw/zinc/57/04/84/857570484.db2.gz XOPJHFLQVTWFPP-UHFFFAOYSA-N 0 0 409.280 4.399 20 5 HIBDRN O=C(Nc1nc2c(s1)C(=O)CCC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000429421643 857657601 /nfs/dbraw/zinc/65/76/01/857657601.db2.gz FSLRXQGLPDGCMC-UHFFFAOYSA-N 0 0 423.450 4.402 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)CCC2=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429500199 857699421 /nfs/dbraw/zinc/69/94/21/857699421.db2.gz BOWKUOOZJDBXES-UHFFFAOYSA-N 0 0 409.623 4.392 20 5 HIBDRN COC(=O)c1nc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)sc1C1CC1 ZINC000429501349 857700400 /nfs/dbraw/zinc/70/04/00/857700400.db2.gz XQMDYHORNYRNML-UHFFFAOYSA-N 0 0 403.460 4.265 20 5 HIBDRN Cc1noc(C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2)n1 ZINC000429522540 857715864 /nfs/dbraw/zinc/71/58/64/857715864.db2.gz PNCRSNAOYQICLV-OAHLLOKOSA-N 0 0 420.347 4.019 20 5 HIBDRN Cc1noc(C[C@@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2)n1 ZINC000429527689 857721039 /nfs/dbraw/zinc/72/10/39/857721039.db2.gz KKQDQIMPLCJOJY-LJQANCHMSA-N 0 0 405.414 4.015 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1Cc2cccc(O)c2C1 ZINC000429752008 857870219 /nfs/dbraw/zinc/87/02/19/857870219.db2.gz MODZCEHQYWTJDY-MRXNPFEDSA-N 0 0 405.410 4.382 20 5 HIBDRN COc1ccc(-c2nc(CNc3cc(Br)cc([N+](=O)[O-])c3C)no2)cc1 ZINC000429780571 857882742 /nfs/dbraw/zinc/88/27/42/857882742.db2.gz AZMRUUCJINRSAB-UHFFFAOYSA-N 0 0 419.235 4.336 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429785169 857883768 /nfs/dbraw/zinc/88/37/68/857883768.db2.gz PWODAAYRDWDTOJ-SJORKVTESA-N 0 0 405.248 4.007 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CNc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000429795797 857888693 /nfs/dbraw/zinc/88/86/93/857888693.db2.gz ZDJHKGBEZKMCBB-UHFFFAOYSA-N 0 0 412.467 4.189 20 5 HIBDRN Cc1c(NCc2nc([C@@H](C)OCC(C)C)no2)cc(Br)cc1[N+](=O)[O-] ZINC000429803743 857890564 /nfs/dbraw/zinc/89/05/64/857890564.db2.gz GLCNEIHFMFMSRR-LLVKDONJSA-N 0 0 413.272 4.394 20 5 HIBDRN Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429844348 857907121 /nfs/dbraw/zinc/90/71/21/857907121.db2.gz ABZPQXHRCWMRKX-ZDUSSCGKSA-N 0 0 407.264 4.171 20 5 HIBDRN CN(CCOc1ccccc1Cl)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429919786 857947052 /nfs/dbraw/zinc/94/70/52/857947052.db2.gz FHANOKOSQWZGBE-UHFFFAOYSA-N 0 0 413.655 4.162 20 5 HIBDRN O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429937214 857958050 /nfs/dbraw/zinc/95/80/50/857958050.db2.gz BSEBQFGVTGDANW-UHFFFAOYSA-N 0 0 419.153 4.186 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1ccco1)Cc1cccnc1 ZINC000429943779 857960996 /nfs/dbraw/zinc/96/09/96/857960996.db2.gz NLRSOPWDCMDSPZ-UHFFFAOYSA-N 0 0 416.231 4.188 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429950460 857966689 /nfs/dbraw/zinc/96/66/89/857966689.db2.gz YZFDOYNOFXRJCC-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CCCn1c2ccccc2nc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429955499 857967872 /nfs/dbraw/zinc/96/78/72/857967872.db2.gz ZZHPGHHOAYOSQA-UHFFFAOYSA-N 0 0 403.236 4.369 20 5 HIBDRN O=C(NCc1cc(Br)cs1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430031502 858003850 /nfs/dbraw/zinc/00/38/50/858003850.db2.gz YXEBYDXGUFPKEU-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN Cc1noc(C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c2ccccc2)n1 ZINC000430419952 858151948 /nfs/dbraw/zinc/15/19/48/858151948.db2.gz DCFNELKYPFNHPA-QFIPXVFZSA-N 0 0 424.460 4.087 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000430435070 858161174 /nfs/dbraw/zinc/16/11/74/858161174.db2.gz DYXJADGOEDDHCK-QGZVFWFLSA-N 0 0 400.500 4.181 20 5 HIBDRN CCCOc1cc(O)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000430472506 858184919 /nfs/dbraw/zinc/18/49/19/858184919.db2.gz AUODYMXMCKNPJF-UHFFFAOYSA-N 0 0 409.236 4.033 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000430489484 858196379 /nfs/dbraw/zinc/19/63/79/858196379.db2.gz BEJAXMFRKICHAS-UHFFFAOYSA-N 0 0 403.649 4.293 20 5 HIBDRN Cc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccco1 ZINC000430525446 858206724 /nfs/dbraw/zinc/20/67/24/858206724.db2.gz OEWNZUZRKJXOMV-UHFFFAOYSA-N 0 0 407.426 4.414 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000430533539 858209440 /nfs/dbraw/zinc/20/94/40/858209440.db2.gz WGAKDQIKVGNFGM-HSZRJFAPSA-N 0 0 406.438 4.196 20 5 HIBDRN Cc1noc(C)c1COc1ccc(CC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000430539587 858211784 /nfs/dbraw/zinc/21/17/84/858211784.db2.gz QEBPHXNOVOGZAF-UHFFFAOYSA-N 0 0 423.469 4.373 20 5 HIBDRN CC(C)(NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)c(F)c1 ZINC000430564013 858220917 /nfs/dbraw/zinc/22/09/17/858220917.db2.gz KUKVEMNJUQNIDZ-UHFFFAOYSA-N 0 0 403.429 4.141 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000430598036 858232584 /nfs/dbraw/zinc/23/25/84/858232584.db2.gz NLFDXOJSIJHNQN-AEFFLSMTSA-N 0 0 419.275 4.316 20 5 HIBDRN O=C(Nc1ccc(F)cc1OC(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430603092 858233268 /nfs/dbraw/zinc/23/32/68/858233268.db2.gz IYGYBUGEOFYICE-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN CO[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000430643729 858245936 /nfs/dbraw/zinc/24/59/36/858245936.db2.gz SBRJLBAFPKVYMM-OAHLLOKOSA-N 0 0 413.655 4.128 20 5 HIBDRN O=C(CO[C@@H]1CCCc2ccccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430684800 858268371 /nfs/dbraw/zinc/26/83/71/858268371.db2.gz FMKQDUXXAVNAFP-JOCHJYFZSA-N 0 0 410.470 4.059 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N(CCc2ccccn2)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000430841415 858327250 /nfs/dbraw/zinc/32/72/50/858327250.db2.gz QHIJBXGDNFTYSE-SFHVURJKSA-N 0 0 419.485 4.209 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]2OCc2ccccc2)cc1SC ZINC000430862495 858342103 /nfs/dbraw/zinc/34/21/03/858342103.db2.gz OMOMIWAOWWKHPK-FUHWJXTLSA-N 0 0 416.499 4.193 20 5 HIBDRN O=C(N[C@@H](c1nccs1)c1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430922380 858371873 /nfs/dbraw/zinc/37/18/73/858371873.db2.gz ZYAQGEDDRWQWPY-OAHLLOKOSA-N 0 0 418.272 4.333 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430937093 858375269 /nfs/dbraw/zinc/37/52/69/858375269.db2.gz ZBGKRDFMUZPVNF-UWJYYQICSA-N 0 0 422.485 4.430 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)cccc2-c2nnnn2[C@@H]2C[C@H]2C)c1 ZINC000431015376 858404953 /nfs/dbraw/zinc/40/49/53/858404953.db2.gz TYQKGCLAGCCGDB-SJKOYZFVSA-N 0 0 424.486 4.112 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)cc(=O)[nH]1 ZINC000431075875 858436380 /nfs/dbraw/zinc/43/63/80/858436380.db2.gz HGAOXOFGSQLISU-UHFFFAOYSA-N 0 0 407.430 4.123 20 5 HIBDRN Cn1cc(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000431147960 858470535 /nfs/dbraw/zinc/47/05/35/858470535.db2.gz VXIJFZHWBZVXSI-RBBKRZOGSA-N 0 0 412.449 4.434 20 5 HIBDRN Cc1c(NC(=O)c2cncn2-c2ccc(F)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000431179020 858489618 /nfs/dbraw/zinc/48/96/18/858489618.db2.gz FFGNIXHKEHKFOH-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN COC(=O)CSCc1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000431179472 858490130 /nfs/dbraw/zinc/49/01/30/858490130.db2.gz MJWOTJMZGFFANL-UHFFFAOYSA-N 0 0 417.487 4.058 20 5 HIBDRN Cc1c(NC(=O)COC/C=C\c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000431179292 858490400 /nfs/dbraw/zinc/49/04/00/858490400.db2.gz CFSLILKXKNEZRO-YVMONPNESA-N 0 0 405.248 4.334 20 5 HIBDRN Cc1c(NC(=O)c2ccccc2Cn2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000431180983 858491225 /nfs/dbraw/zinc/49/12/25/858491225.db2.gz IUDCYCQIMPTUJQ-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN Cc1c(NC(=O)c2ccc(Br)o2)cc(Br)cc1[N+](=O)[O-] ZINC000431181922 858491239 /nfs/dbraw/zinc/49/12/39/858491239.db2.gz TWCWACSLRDTDRK-UHFFFAOYSA-N 0 0 404.014 4.274 20 5 HIBDRN Cc1c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)nnn1CC1CCCC1 ZINC000431184757 858492810 /nfs/dbraw/zinc/49/28/10/858492810.db2.gz VPMZTYFFRYRHAC-UHFFFAOYSA-N 0 0 422.283 4.008 20 5 HIBDRN CC(C)[C@@H](NC(=O)COc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC000431217351 858510856 /nfs/dbraw/zinc/51/08/56/858510856.db2.gz IESHESFFCGORBH-QGZVFWFLSA-N 0 0 407.264 4.250 20 5 HIBDRN Cc1c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000431225494 858516325 /nfs/dbraw/zinc/51/63/25/858516325.db2.gz RZUPTDJAZQCRDH-UHFFFAOYSA-N 0 0 418.247 4.267 20 5 HIBDRN Cc1c(NC(=O)Cc2ccc(-n3cccn3)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000431269136 858539906 /nfs/dbraw/zinc/53/99/06/858539906.db2.gz LZQGLRJLMPKJKO-UHFFFAOYSA-N 0 0 415.247 4.033 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000431329183 858567710 /nfs/dbraw/zinc/56/77/10/858567710.db2.gz QOUHMLLUUYZCNP-APPDUMDISA-N 0 0 423.238 4.099 20 5 HIBDRN CC(C)(C)C1CCC(O)(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000431332148 858569375 /nfs/dbraw/zinc/56/93/75/858569375.db2.gz JDHTXAZGUVZWRL-UHFFFAOYSA-N 0 0 413.312 4.055 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000431358222 858578479 /nfs/dbraw/zinc/57/84/79/858578479.db2.gz LEOHEFXEDIZRSY-UHFFFAOYSA-N 0 0 401.850 4.057 20 5 HIBDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431401291 858596355 /nfs/dbraw/zinc/59/63/55/858596355.db2.gz GQVPAZFHKMHMTO-UHFFFAOYSA-N 0 0 410.474 4.196 20 5 HIBDRN Cc1cc(N2CCc3c(nnn3-c3ccccc3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000431409243 858600868 /nfs/dbraw/zinc/60/08/68/858600868.db2.gz DZAQVYAOKCUVPJ-UHFFFAOYSA-N 0 0 403.364 4.065 20 5 HIBDRN Cn1ccnc1SCc1cccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000431412319 858602403 /nfs/dbraw/zinc/60/24/03/858602403.db2.gz CWQQCQKETXMTGC-UHFFFAOYSA-N 0 0 410.499 4.286 20 5 HIBDRN Cc1ccc(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000431428021 858609981 /nfs/dbraw/zinc/60/99/81/858609981.db2.gz RVRXQYOYXUYDAE-AWEZNQCLSA-N 0 0 417.771 4.431 20 5 HIBDRN COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431470256 858632223 /nfs/dbraw/zinc/63/22/23/858632223.db2.gz KYYGBMQUJMGPJU-UHFFFAOYSA-N 0 0 421.247 4.060 20 5 HIBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000437716114 863046675 /nfs/dbraw/zinc/04/66/75/863046675.db2.gz LWNNBWVIFGOOPQ-LJQANCHMSA-N 0 0 404.417 4.174 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000431580303 858676185 /nfs/dbraw/zinc/67/61/85/858676185.db2.gz TYPKYVJIFRFOES-AWEZNQCLSA-N 0 0 414.405 4.182 20 5 HIBDRN CC(C)C(=O)Nc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431626669 858698395 /nfs/dbraw/zinc/69/83/95/858698395.db2.gz WTHWEDJUFQPFHK-UHFFFAOYSA-N 0 0 406.236 4.204 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000437723173 863053524 /nfs/dbraw/zinc/05/35/24/863053524.db2.gz QYPRYTJCBKZDNY-HNAYVOBHSA-N 0 0 424.906 4.003 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000431650166 858713023 /nfs/dbraw/zinc/71/30/23/858713023.db2.gz BPJRARVYFXPJCL-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN CC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431659190 858719181 /nfs/dbraw/zinc/71/91/81/858719181.db2.gz QZKXZYKNPGXIRS-UHFFFAOYSA-N 0 0 420.263 4.138 20 5 HIBDRN CCOc1cc(CCCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000431680475 858735925 /nfs/dbraw/zinc/73/59/25/858735925.db2.gz HZRWLVHCTGXJJI-UHFFFAOYSA-N 0 0 415.490 4.169 20 5 HIBDRN CC(C)(NC(=O)NCc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000431773688 858805960 /nfs/dbraw/zinc/80/59/60/858805960.db2.gz PVKCMJLFOBEXAR-UHFFFAOYSA-N 0 0 411.380 4.270 20 5 HIBDRN CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431783362 858810064 /nfs/dbraw/zinc/81/00/64/858810064.db2.gz HPKOEDMLCDTVGT-UHFFFAOYSA-N 0 0 418.291 4.230 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC[C@H]2c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000431840065 858835222 /nfs/dbraw/zinc/83/52/22/858835222.db2.gz JSIPTWYBJFSSMP-SFHVURJKSA-N 0 0 419.275 4.408 20 5 HIBDRN CC[NH+](CC)[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000431870100 858848013 /nfs/dbraw/zinc/84/80/13/858848013.db2.gz MAEORZOBNKUZMX-SFHVURJKSA-N 0 0 404.536 4.274 20 5 HIBDRN CS(=O)(=O)c1ccc(NCC[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000432133390 859008993 /nfs/dbraw/zinc/00/89/93/859008993.db2.gz LVFBQVJLFGXJNO-AWEZNQCLSA-N 0 0 402.394 4.146 20 5 HIBDRN O=C(c1ccc2c(ccn2Cc2ccccc2)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000432140652 859012364 /nfs/dbraw/zinc/01/23/64/859012364.db2.gz AVUBUQLCINWBKM-UHFFFAOYSA-N 0 0 412.449 4.191 20 5 HIBDRN O=[N+]([O-])c1cnc(NC2(Cc3ccc(F)cc3)CCOCC2)c(Br)c1 ZINC000432143651 859013468 /nfs/dbraw/zinc/01/34/68/859013468.db2.gz PZOISVULOCCWNM-UHFFFAOYSA-N 0 0 410.243 4.095 20 5 HIBDRN O=[N+]([O-])c1cnc(NC2(Cc3ccc(F)cc3Br)CCOCC2)s1 ZINC000432166981 859026749 /nfs/dbraw/zinc/02/67/49/859026749.db2.gz UCYVVZSGHYJMJP-UHFFFAOYSA-N 0 0 416.272 4.157 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc2nc(C3CC3)oc2c1 ZINC000432174186 859030677 /nfs/dbraw/zinc/03/06/77/859030677.db2.gz CBIBIBMHXQLPOR-UHFFFAOYSA-N 0 0 404.382 4.179 20 5 HIBDRN O=C1NC2(CCCC2)C(=O)N1c1cccc(CNc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000432178581 859032992 /nfs/dbraw/zinc/03/29/92/859032992.db2.gz RDEYDDLXFPUPFD-UHFFFAOYSA-N 0 0 414.849 4.229 20 5 HIBDRN CC(C)[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2[nH]1 ZINC000467555617 881378210 /nfs/dbraw/zinc/37/82/10/881378210.db2.gz UBFWAXMOBSMJDC-KRWDZBQOSA-N 0 0 401.854 4.321 20 5 HIBDRN COc1ccc(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)c(Br)c1OC ZINC000432226741 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0 0 420.469 4.258 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000432357141 859118930 /nfs/dbraw/zinc/11/89/30/859118930.db2.gz LCYKWKIMBGGESC-UHFFFAOYSA-N 0 0 419.684 4.428 20 5 HIBDRN C[C@H]1CCCN(Cc2csc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000432427517 859160176 /nfs/dbraw/zinc/16/01/76/859160176.db2.gz ZDGRTCBSYBCWPY-AWEZNQCLSA-N 0 0 402.520 4.200 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccc4occ(C)c4c3)CC2)ccc1[N+](=O)[O-] ZINC000432456563 859171652 /nfs/dbraw/zinc/17/16/52/859171652.db2.gz XBYQUGSEZIRTRS-UHFFFAOYSA-N 0 0 424.457 4.402 20 5 HIBDRN CC(F)(F)c1ccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000432567552 859230274 /nfs/dbraw/zinc/23/02/74/859230274.db2.gz PKKKKPISUOJAAA-UHFFFAOYSA-N 0 0 419.428 4.460 20 5 HIBDRN CC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000432680970 859289766 /nfs/dbraw/zinc/28/97/66/859289766.db2.gz ZKSZRYWSWDEWTQ-CYBMUJFWSA-N 0 0 403.236 4.115 20 5 HIBDRN CC(C)(NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000432710402 859311506 /nfs/dbraw/zinc/31/15/06/859311506.db2.gz OMXZVKFEGJJSIZ-UHFFFAOYSA-N 0 0 416.865 4.432 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccc(Br)cc1O ZINC000432777065 859356055 /nfs/dbraw/zinc/35/60/55/859356055.db2.gz SOCQOSHFOSENBK-UHFFFAOYSA-N 0 0 407.264 4.043 20 5 HIBDRN C[C@H]1CCS(=O)(=O)CCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000432813113 859370722 /nfs/dbraw/zinc/37/07/22/859370722.db2.gz LOITXGQUVRCEML-AWEZNQCLSA-N 0 0 424.906 4.050 20 5 HIBDRN O=C(NCc1ncoc1-c1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467606005 881412993 /nfs/dbraw/zinc/41/29/93/881412993.db2.gz DTKQFJJBMVCNMM-UHFFFAOYSA-N 0 0 406.423 4.303 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000432856349 859391132 /nfs/dbraw/zinc/39/11/32/859391132.db2.gz ZTWVUHPKNLBLBP-FQEVSTJZSA-N 0 0 412.396 4.426 20 5 HIBDRN Cc1cc(C)c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(Br)c1 ZINC000432865950 859396550 /nfs/dbraw/zinc/39/65/50/859396550.db2.gz JWYDXYAIPINBCO-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000432913664 859426996 /nfs/dbraw/zinc/42/69/96/859426996.db2.gz ZYCWSMJLFPDDEC-INIZCTEOSA-N 0 0 417.372 4.173 20 5 HIBDRN CCn1nccc1C1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000432928791 859433571 /nfs/dbraw/zinc/43/35/71/859433571.db2.gz OKRKPSSZFNLMFW-UHFFFAOYSA-N 0 0 407.474 4.169 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432932317 859436901 /nfs/dbraw/zinc/43/69/01/859436901.db2.gz HOSXIUKZUQNCQO-LLVKDONJSA-N 0 0 417.263 4.218 20 5 HIBDRN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000433271764 859607039 /nfs/dbraw/zinc/60/70/39/859607039.db2.gz NTUNPCWYMKKGNG-AVRDEDQJSA-N 0 0 411.502 4.268 20 5 HIBDRN O=[N+]([O-])c1cc(F)cc(OCc2nc(-c3cc(Br)cs3)no2)c1 ZINC000433421789 859690977 /nfs/dbraw/zinc/69/09/77/859690977.db2.gz CYYKRSDWKUHWNZ-UHFFFAOYSA-N 0 0 400.185 4.187 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)Nc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)n1 ZINC000433437459 859704198 /nfs/dbraw/zinc/70/41/98/859704198.db2.gz PMZFTUQCRNJGSL-OAHLLOKOSA-N 0 0 404.430 4.620 20 5 HIBDRN Cc1cnc(C2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)s1 ZINC000433508138 859741849 /nfs/dbraw/zinc/74/18/49/859741849.db2.gz UUDHTGXCRICIRF-UHFFFAOYSA-N 0 0 412.418 4.373 20 5 HIBDRN CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1F ZINC000433578948 859791174 /nfs/dbraw/zinc/79/11/74/859791174.db2.gz SUSVIZQGNIXDBW-UHFFFAOYSA-N 0 0 414.418 4.377 20 5 HIBDRN O=C(COc1cc(F)cc([N+](=O)[O-])c1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000433628509 859816433 /nfs/dbraw/zinc/81/64/33/859816433.db2.gz MGSXXDRVGDVDQC-OAQYLSRUSA-N 0 0 412.442 4.349 20 5 HIBDRN O=C(C[C@H]1C=CCC1)Nc1ccccc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433697953 859841670 /nfs/dbraw/zinc/84/16/70/859841670.db2.gz SBOPNPKDKOFTHK-KKSFZXQISA-N 0 0 420.469 4.107 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H](CC(F)(F)F)C3)cc2[N+](=O)[O-])C1 ZINC000433730685 859860745 /nfs/dbraw/zinc/86/07/45/859860745.db2.gz UVGXHDJTPFGNMY-KFWWJZLASA-N 0 0 413.440 4.492 20 5 HIBDRN Cn1cc(-c2cc(F)ccc2NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000433814796 859909016 /nfs/dbraw/zinc/90/90/16/859909016.db2.gz JVKIQZPBRCALKE-UHFFFAOYSA-N 0 0 417.828 4.152 20 5 HIBDRN CCOc1cc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)c([N+](=O)[O-])cc1OC ZINC000433966324 860006081 /nfs/dbraw/zinc/00/60/81/860006081.db2.gz VCWSBZQKKLOCNI-UHFFFAOYSA-N 0 0 422.397 4.162 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)c1[N+](=O)[O-] ZINC000433994653 860024142 /nfs/dbraw/zinc/02/41/42/860024142.db2.gz PPKLCRHHCAGYTM-UHFFFAOYSA-N 0 0 404.430 4.247 20 5 HIBDRN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000434019078 860043805 /nfs/dbraw/zinc/04/38/05/860043805.db2.gz VPFNSXFEFUSICN-QGZVFWFLSA-N 0 0 406.438 4.430 20 5 HIBDRN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1cc2ccccc2c2cccnc12 ZINC000467699362 881493472 /nfs/dbraw/zinc/49/34/72/881493472.db2.gz UNENBDBGNXBBPW-MRXNPFEDSA-N 0 0 402.885 4.445 20 5 HIBDRN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1cc2ccccc2c2cccnc12 ZINC000467699361 881493882 /nfs/dbraw/zinc/49/38/82/881493882.db2.gz UNENBDBGNXBBPW-INIZCTEOSA-N 0 0 402.885 4.445 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCC(F)(c3ccccc3)CC2)cc1SC ZINC000434040907 860057982 /nfs/dbraw/zinc/05/79/82/860057982.db2.gz IQIUXOZOYRGDAY-UHFFFAOYSA-N 0 0 404.463 4.426 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C ZINC000434051355 860064697 /nfs/dbraw/zinc/06/46/97/860064697.db2.gz ZUODKCGECIVMPO-ZDUSSCGKSA-N 0 0 402.476 4.164 20 5 HIBDRN Cn1cc(C(=O)N2CC3(CCCC3)c3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000434063262 860073023 /nfs/dbraw/zinc/07/30/23/860073023.db2.gz PLOZRYICOJRPFE-UHFFFAOYSA-N 0 0 402.454 4.468 20 5 HIBDRN CC1(C)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1c1ccccc1 ZINC000434082011 860090241 /nfs/dbraw/zinc/09/02/41/860090241.db2.gz HLXHOUUQDXGMLN-HXUWFJFHSA-N 0 0 407.514 4.463 20 5 HIBDRN CCC1(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CCC1 ZINC000434215986 860200753 /nfs/dbraw/zinc/20/07/53/860200753.db2.gz ZCOUAGRPOSHBPE-UHFFFAOYSA-N 0 0 417.487 4.223 20 5 HIBDRN COc1ccc(-n2c(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])nc3ccccc32)cc1 ZINC000434238935 860221793 /nfs/dbraw/zinc/22/17/93/860221793.db2.gz GRSLQKPCXLKFIO-UHFFFAOYSA-N 0 0 420.429 4.041 20 5 HIBDRN COC(=O)c1cc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000434246682 860226509 /nfs/dbraw/zinc/22/65/09/860226509.db2.gz BLKLKKCWDQXCAU-UHFFFAOYSA-N 0 0 418.396 4.245 20 5 HIBDRN O=C(C[C@H]1CCCCCN1C(=O)CCOc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000434248639 860229007 /nfs/dbraw/zinc/22/90/07/860229007.db2.gz JHJOQCOVTQZIKL-MRXNPFEDSA-N 0 0 400.431 4.001 20 5 HIBDRN CCOc1ccc2c(c1)CCN(C(=O)Cn1c3ccccc3c(=O)c3ccccc31)C2 ZINC000434251054 860230880 /nfs/dbraw/zinc/23/08/80/860230880.db2.gz UHRWNSPLWJQJTE-UHFFFAOYSA-N 0 0 412.489 4.138 20 5 HIBDRN C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000434257962 860234974 /nfs/dbraw/zinc/23/49/74/860234974.db2.gz BOARQUNOQRBIED-QHCPKHFHSA-N 0 0 404.470 4.266 20 5 HIBDRN Nc1c(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)cccc1[N+](=O)[O-] ZINC000434389658 860329136 /nfs/dbraw/zinc/32/91/36/860329136.db2.gz YXBBYKWTNQNXCH-UHFFFAOYSA-N 0 0 402.248 4.022 20 5 HIBDRN Cc1c[nH]c(-c2ccccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000434410026 860337458 /nfs/dbraw/zinc/33/74/58/860337458.db2.gz ACTQCJWBSGDFPX-UHFFFAOYSA-N 0 0 401.220 4.308 20 5 HIBDRN O=C(NCC1(CCO)CCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000434518561 860383504 /nfs/dbraw/zinc/38/35/04/860383504.db2.gz SHFCHRCJYQMGJU-UHFFFAOYSA-N 0 0 404.850 4.323 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1csc(CCc2ccccc2)n1 ZINC000434564503 860404380 /nfs/dbraw/zinc/40/43/80/860404380.db2.gz GGMCMYSNVMVGIZ-UHFFFAOYSA-N 0 0 415.902 4.349 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1c[nH]c2cc(F)ccc21)c1ccccc1[N+](=O)[O-] ZINC000434623326 860436441 /nfs/dbraw/zinc/43/64/41/860436441.db2.gz KZEUEQLQTYSVAF-GOSISDBHSA-N 0 0 413.405 4.028 20 5 HIBDRN CC(=O)c1cc(Cl)c(Cl)cc1OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000434735233 860476615 /nfs/dbraw/zinc/47/66/15/860476615.db2.gz CDGAPZVDIUSEBB-UHFFFAOYSA-N 0 0 409.225 4.072 20 5 HIBDRN COc1cccc(Nc2nnc(SCc3nc4cc([N+](=O)[O-])ccc4o3)s2)c1 ZINC000434790955 860495942 /nfs/dbraw/zinc/49/59/42/860495942.db2.gz AFLFVCXHTBHTET-UHFFFAOYSA-N 0 0 415.456 4.632 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CSc3nnc(Nc4ccccc4F)s3)nc2c1 ZINC000434805498 860501396 /nfs/dbraw/zinc/50/13/96/860501396.db2.gz GBYZNPOZVLQCHI-UHFFFAOYSA-N 0 0 403.420 4.763 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](C)c1ccccc1Br ZINC000434825307 860508243 /nfs/dbraw/zinc/50/82/43/860508243.db2.gz BHYCXSLBPZBFEA-ZDUSSCGKSA-N 0 0 406.280 4.297 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000434845871 860519542 /nfs/dbraw/zinc/51/95/42/860519542.db2.gz JNWBLUJIURCZAZ-MRXNPFEDSA-N 0 0 423.473 4.078 20 5 HIBDRN COc1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC)c(C)c1OC ZINC000434972661 860582246 /nfs/dbraw/zinc/58/22/46/860582246.db2.gz IJUXEKMGBBIVGM-UHFFFAOYSA-N 0 0 415.446 4.126 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000467751286 881560093 /nfs/dbraw/zinc/56/00/93/881560093.db2.gz FNQWEWALNARLLX-ZUFFMMDNSA-N 0 0 400.397 4.015 20 5 HIBDRN O=C(NCC1(Cc2ccccc2)CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000435107310 860644897 /nfs/dbraw/zinc/64/48/97/860644897.db2.gz SUKAGXRMJQBNCF-UHFFFAOYSA-N 0 0 409.486 4.171 20 5 HIBDRN Cc1nc2cc(Cl)c(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2s1 ZINC000435176108 860679425 /nfs/dbraw/zinc/67/94/25/860679425.db2.gz FHJUMDVOQVVEBO-UHFFFAOYSA-N 0 0 420.882 4.232 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cc(F)c(F)cc2Br)cc1[N+](=O)[O-] ZINC000435270904 860710821 /nfs/dbraw/zinc/71/08/21/860710821.db2.gz UPJNXHNTBLLVBO-UHFFFAOYSA-N 0 0 400.179 4.320 20 5 HIBDRN Cc1c(NC(=O)N(C)Cc2cccc(N(C)C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000435323249 860734762 /nfs/dbraw/zinc/73/47/62/860734762.db2.gz KXXZPOHXPUXRNF-UHFFFAOYSA-N 0 0 421.295 4.396 20 5 HIBDRN CCCCn1cc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(C)n1 ZINC000435322693 860734784 /nfs/dbraw/zinc/73/47/84/860734784.db2.gz FXXWHOZVQIDGJM-UHFFFAOYSA-N 0 0 424.299 4.292 20 5 HIBDRN CCCOc1ncccc1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435322919 860734974 /nfs/dbraw/zinc/73/49/74/860734974.db2.gz IEHWJMKXINPRGL-UHFFFAOYSA-N 0 0 423.267 4.171 20 5 HIBDRN CCc1cnc(CN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000435323397 860735105 /nfs/dbraw/zinc/73/51/05/860735105.db2.gz MKVOUWJVGGFWJH-UHFFFAOYSA-N 0 0 413.297 4.349 20 5 HIBDRN CCO[C@@H](CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(C)C ZINC000435324107 860735481 /nfs/dbraw/zinc/73/54/81/860735481.db2.gz SLXDPQHMGORACM-HNNXBMFYSA-N 0 0 402.289 4.238 20 5 HIBDRN Cc1c(NC(=O)NCc2ccc(F)c(F)c2)cc(Br)cc1[N+](=O)[O-] ZINC000435323996 860735852 /nfs/dbraw/zinc/73/58/52/860735852.db2.gz RJDXSOAAWDHNBQ-UHFFFAOYSA-N 0 0 400.179 4.266 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435324965 860736555 /nfs/dbraw/zinc/73/65/55/860736555.db2.gz YARFMDNXKAPGEX-SECBINFHSA-N 0 0 410.190 4.472 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C12CCC2 ZINC000435326874 860738237 /nfs/dbraw/zinc/73/82/37/860738237.db2.gz FCXJOJCUFDHNLY-LSDHHAIUSA-N 0 0 412.284 4.135 20 5 HIBDRN Cc1c(NC(=O)N2CCSC(C)(C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435329620 860741332 /nfs/dbraw/zinc/74/13/32/860741332.db2.gz QEVXTFHQGAQUAJ-UHFFFAOYSA-N 0 0 402.314 4.415 20 5 HIBDRN Cc1c(NC(=O)N(C)C[C@H](C)c2nccs2)cc(Br)cc1[N+](=O)[O-] ZINC000435331028 860742408 /nfs/dbraw/zinc/74/24/08/860742408.db2.gz YFVLVZBCWOUVGK-VIFPVBQESA-N 0 0 413.297 4.390 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435332746 860744104 /nfs/dbraw/zinc/74/41/04/860744104.db2.gz MKNPXDOABADUBD-KBPBESRZSA-N 0 0 414.300 4.381 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Sc3ccncc3)cc2)c([N+](=O)[O-])cc1OC ZINC000435367798 860766175 /nfs/dbraw/zinc/76/61/75/860766175.db2.gz ANIXJQAQSMFJKX-UHFFFAOYSA-N 0 0 411.439 4.411 20 5 HIBDRN CCCOc1ccc2c(c1)CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C2 ZINC000435389517 860781175 /nfs/dbraw/zinc/78/11/75/860781175.db2.gz KYEDLSFQLWBVOP-HNNXBMFYSA-N 0 0 400.500 4.449 20 5 HIBDRN CCC(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435440010 860799714 /nfs/dbraw/zinc/79/97/14/860799714.db2.gz YPBHUTNZUFLDAR-CYBMUJFWSA-N 0 0 419.528 4.395 20 5 HIBDRN C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435449143 860802219 /nfs/dbraw/zinc/80/22/19/860802219.db2.gz OJSSCTHZULPODJ-JSGCOSHPSA-N 0 0 408.501 4.330 20 5 HIBDRN O=[N+]([O-])c1cnc(N[C@H]2C[C@@H]2c2ccccc2OC(F)F)c(Br)c1 ZINC000435572734 860892164 /nfs/dbraw/zinc/89/21/64/860892164.db2.gz BSCAEVJTFSKLTG-PWSUYJOCSA-N 0 0 400.179 4.322 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)s1 ZINC000435575739 860892347 /nfs/dbraw/zinc/89/23/47/860892347.db2.gz SJOPMKYAQODKDH-GXSJLCMTSA-N 0 0 407.300 4.335 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)c3cccc(OC)c3[N+](=O)[O-])n2)cc1F ZINC000435638982 860930399 /nfs/dbraw/zinc/93/03/99/860930399.db2.gz SNLSMKVLUHLWSJ-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN Cn1nccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 ZINC000435643674 860931120 /nfs/dbraw/zinc/93/11/20/860931120.db2.gz DODSHIMSKFHNDV-UHFFFAOYSA-N 0 0 419.363 4.272 20 5 HIBDRN O=C(Nc1ccccc1-c1ccccc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000435643166 860931328 /nfs/dbraw/zinc/93/13/28/860931328.db2.gz BPFGWEVNKMMTMH-UHFFFAOYSA-N 0 0 415.405 4.168 20 5 HIBDRN COc1cccc(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000435690377 860972569 /nfs/dbraw/zinc/97/25/69/860972569.db2.gz GWXXAFHWBRIMEN-SFHVURJKSA-N 0 0 406.442 4.286 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(c2ccccc2)C2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000467782321 881602168 /nfs/dbraw/zinc/60/21/68/881602168.db2.gz AWDUTJAWHOQPKD-UHFFFAOYSA-N 0 0 408.479 4.266 20 5 HIBDRN COc1cccc(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000435818773 861083797 /nfs/dbraw/zinc/08/37/97/861083797.db2.gz NVIVOERYEGPOTC-UHFFFAOYSA-N 0 0 419.648 4.372 20 5 HIBDRN CCOC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 ZINC000435825321 861089685 /nfs/dbraw/zinc/08/96/85/861089685.db2.gz KPKIBWDSTNQXEW-UHFFFAOYSA-N 0 0 422.387 4.389 20 5 HIBDRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435873026 861133296 /nfs/dbraw/zinc/13/32/96/861133296.db2.gz ATQFAEDXWNKFMX-UHFFFAOYSA-N 0 0 406.460 4.391 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1C ZINC000435877339 861136000 /nfs/dbraw/zinc/13/60/00/861136000.db2.gz PVPGLAOKGQLAAE-UHFFFAOYSA-N 0 0 421.403 4.479 20 5 HIBDRN COC(=O)c1ccccc1-c1ccccc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000435876260 861136221 /nfs/dbraw/zinc/13/62/21/861136221.db2.gz HSRPHJVTWJPFDN-UHFFFAOYSA-N 0 0 402.406 4.251 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2c(F)cc(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000435892261 861149938 /nfs/dbraw/zinc/14/99/38/861149938.db2.gz FOSWFCVVKXCHTG-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN COc1cc(CNc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000435894402 861151484 /nfs/dbraw/zinc/15/14/84/861151484.db2.gz STBRKMLTLPSZLX-UHFFFAOYSA-N 0 0 409.364 4.057 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(C(F)(F)F)cc1Cl ZINC000435904837 861162844 /nfs/dbraw/zinc/16/28/44/861162844.db2.gz ZVMHAQYTMWGGGA-UHFFFAOYSA-N 0 0 424.784 4.101 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000437774512 863093475 /nfs/dbraw/zinc/09/34/75/863093475.db2.gz OBDKDWNSEYYFIH-HXUWFJFHSA-N 0 0 407.474 4.048 20 5 HIBDRN CCOc1cccc2[nH]cc(CC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c21 ZINC000437890621 863255884 /nfs/dbraw/zinc/25/58/84/863255884.db2.gz QSWYFSBVQVFCBV-UHFFFAOYSA-N 0 0 423.469 4.087 20 5 HIBDRN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000437912747 863289259 /nfs/dbraw/zinc/28/92/59/863289259.db2.gz SGEVQVJZOOJNJM-CABCVRRESA-N 0 0 414.483 4.208 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437914161 863290487 /nfs/dbraw/zinc/29/04/87/863290487.db2.gz IRXRMBCCMDZYTG-GFCCVEGCSA-N 0 0 420.853 4.056 20 5 HIBDRN O=C(NCc1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437934510 863310772 /nfs/dbraw/zinc/31/07/72/863310772.db2.gz NOLTWHOSKCAFPJ-UHFFFAOYSA-N 0 0 409.364 4.368 20 5 HIBDRN COc1cc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccccc2n1 ZINC000437964722 863335006 /nfs/dbraw/zinc/33/50/06/863335006.db2.gz QIHPUDQQCHLUBT-UHFFFAOYSA-N 0 0 406.442 4.026 20 5 HIBDRN COc1ccc2cc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)ccc2n1 ZINC000437966470 863336654 /nfs/dbraw/zinc/33/66/54/863336654.db2.gz WLIBHELMBCNPTM-UHFFFAOYSA-N 0 0 422.441 4.227 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437999586 863361405 /nfs/dbraw/zinc/36/14/05/863361405.db2.gz ORCGHTOZGJYSLS-UNMCSNQZSA-N 0 0 409.486 4.498 20 5 HIBDRN C[C@H](COc1ccc(F)cc1F)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438002505 863363807 /nfs/dbraw/zinc/36/38/07/863363807.db2.gz LOLCAAYCCKEGPD-CYBMUJFWSA-N 0 0 405.401 4.015 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438003069 863363836 /nfs/dbraw/zinc/36/38/36/863363836.db2.gz QOZJTSNVJQHMCQ-NHCUHLMSSA-N 0 0 413.449 4.328 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(Cl)cccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438011368 863370405 /nfs/dbraw/zinc/37/04/05/863370405.db2.gz ZZDNWSVNPPDXQF-QGZVFWFLSA-N 0 0 401.850 4.446 20 5 HIBDRN C[S@](=O)C1(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1 ZINC000438127375 863546574 /nfs/dbraw/zinc/54/65/74/863546574.db2.gz MFXJZZJHOLTIGJ-NDEPHWFRSA-N 0 0 422.890 4.072 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1Oc2ccccc2[C@H]1C ZINC000438151620 863571005 /nfs/dbraw/zinc/57/10/05/863571005.db2.gz MCIYOBTTXMFEHA-RLFDGXBXSA-N 0 0 405.248 4.040 20 5 HIBDRN O=C(Nc1ccc(OCC2CC2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438165912 863587265 /nfs/dbraw/zinc/58/72/65/863587265.db2.gz DRAXEIDTXFENBD-UHFFFAOYSA-N 0 0 411.458 4.459 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2c(C)cc(=O)n(-c3ccccc3)c2C)cc1[N+](=O)[O-] ZINC000438237899 863684620 /nfs/dbraw/zinc/68/46/20/863684620.db2.gz JDSSEMPEHVHRBH-MRXNPFEDSA-N 0 0 405.454 4.162 20 5 HIBDRN CCCn1ccc2ccc(NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc21 ZINC000438270455 863738164 /nfs/dbraw/zinc/73/81/64/863738164.db2.gz LGZOALTZXUGFTL-UHFFFAOYSA-N 0 0 407.474 4.314 20 5 HIBDRN O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467851953 881700602 /nfs/dbraw/zinc/70/06/02/881700602.db2.gz DEIAJGOODNXIBZ-UHFFFAOYSA-N 0 0 415.808 4.317 20 5 HIBDRN COc1ccc(Oc2ccc(NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)cn2)cc1 ZINC000438410255 863853188 /nfs/dbraw/zinc/85/31/88/863853188.db2.gz JIOGYXMBEMKGSC-UHFFFAOYSA-N 0 0 423.429 4.024 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000438439681 863867477 /nfs/dbraw/zinc/86/74/77/863867477.db2.gz AHXNPDIQSAUKOZ-RZDIXWSQSA-N 0 0 401.413 4.493 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCS[C@H]2CCCC[C@H]21 ZINC000438450602 863875413 /nfs/dbraw/zinc/87/54/13/863875413.db2.gz FWLYFLZHSHITGK-CABCVRRESA-N 0 0 404.410 4.036 20 5 HIBDRN O=C(NC1CCC2(CCOCC2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438469931 863889450 /nfs/dbraw/zinc/88/94/50/863889450.db2.gz XUBQUXRQUPZLGW-UHFFFAOYSA-N 0 0 401.488 4.188 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000438475076 863893123 /nfs/dbraw/zinc/89/31/23/863893123.db2.gz ANJBFQFJEANELS-CQSZACIVSA-N 0 0 423.473 4.490 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1-c1ccccc1 ZINC000467856242 881706313 /nfs/dbraw/zinc/70/63/13/881706313.db2.gz XLCBXRWFQUIPNL-UHFFFAOYSA-N 0 0 409.829 4.170 20 5 HIBDRN Cc1c(NC(=O)C(=O)NCc2c(OC(C)C)ccc3ccccc32)cccc1[N+](=O)[O-] ZINC000467855969 881706443 /nfs/dbraw/zinc/70/64/43/881706443.db2.gz WMYXYIUFFWCBMQ-UHFFFAOYSA-N 0 0 421.453 4.099 20 5 HIBDRN COC(=O)C(C)(C)c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000438481892 863898665 /nfs/dbraw/zinc/89/86/65/863898665.db2.gz ZBZPCYDOIGPMCZ-UHFFFAOYSA-N 0 0 413.474 4.488 20 5 HIBDRN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000438517433 863941629 /nfs/dbraw/zinc/94/16/29/863941629.db2.gz QBDKWDIESPWKGN-HNNXBMFYSA-N 0 0 414.531 4.164 20 5 HIBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC[C@@H]1O ZINC000438530752 863956177 /nfs/dbraw/zinc/95/61/77/863956177.db2.gz LWRHFVHXPWNBQQ-IBGZPJMESA-N 0 0 417.893 4.093 20 5 HIBDRN COc1ccc(CC(C)(C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000438533521 863958627 /nfs/dbraw/zinc/95/86/27/863958627.db2.gz HYMDPCGXPGPAGE-UHFFFAOYSA-N 0 0 400.478 4.441 20 5 HIBDRN Cc1cc(Cl)c(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000467863043 881716667 /nfs/dbraw/zinc/71/66/67/881716667.db2.gz JNIYOBUUIDBRRD-UHFFFAOYSA-N 0 0 416.648 4.118 20 5 HIBDRN CN(c1ccccc1)C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000438626722 864054720 /nfs/dbraw/zinc/05/47/20/864054720.db2.gz PKBOXHLNXIHNAN-UHFFFAOYSA-N 0 0 420.416 4.329 20 5 HIBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOc2ccc(Br)cc21 ZINC000438635815 864068762 /nfs/dbraw/zinc/06/87/62/864068762.db2.gz VZXRXPIZNHRNIZ-INIZCTEOSA-N 0 0 423.238 4.021 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000438646376 864085816 /nfs/dbraw/zinc/08/58/16/864085816.db2.gz FLZUHSKYINQONB-UHFFFAOYSA-N 0 0 417.849 4.455 20 5 HIBDRN CC(C)COc1cccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000438662167 864111195 /nfs/dbraw/zinc/11/11/95/864111195.db2.gz CHFCWGDCXYKXNU-UHFFFAOYSA-N 0 0 413.474 4.005 20 5 HIBDRN O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438669936 864129942 /nfs/dbraw/zinc/12/99/42/864129942.db2.gz BNHCIORPRCDCDW-FPOVZHCZSA-N 0 0 407.514 4.339 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCc3ncsc3C2)cc1 ZINC000438688904 864154842 /nfs/dbraw/zinc/15/48/42/864154842.db2.gz TXVMMCSRTGOLTG-UHFFFAOYSA-N 0 0 411.439 4.051 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438696173 864165732 /nfs/dbraw/zinc/16/57/32/864165732.db2.gz ULWLMPWENAJJGY-ROUUACIJSA-N 0 0 414.527 4.475 20 5 HIBDRN Cc1nc([C@H]2CCCCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)no1 ZINC000438727279 864209622 /nfs/dbraw/zinc/20/96/22/864209622.db2.gz WRIGITIJYZDICO-HXUWFJFHSA-N 0 0 402.454 4.130 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccoc2c1 ZINC000467880617 881742830 /nfs/dbraw/zinc/74/28/30/881742830.db2.gz UERUHPHKDKXLEJ-UHFFFAOYSA-N 0 0 400.412 4.249 20 5 HIBDRN CCN(c1ccc(C)cc1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438814930 864307387 /nfs/dbraw/zinc/30/73/87/864307387.db2.gz OWZHICGBQSORJS-UHFFFAOYSA-N 0 0 413.293 4.189 20 5 HIBDRN Cc1c(CC(=O)N[C@H](c2ccccc2)c2ccc3[nH]cnc3c2)cccc1[N+](=O)[O-] ZINC000438829160 864324325 /nfs/dbraw/zinc/32/43/25/864324325.db2.gz JPCRJHZKTYPHNP-HSZRJFAPSA-N 0 0 400.438 4.228 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC([C@H]2CCCO2)CC1 ZINC000438880752 864367578 /nfs/dbraw/zinc/36/75/78/864367578.db2.gz CGNNNXRVNWWCRY-QGZVFWFLSA-N 0 0 406.280 4.301 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@@]12CCc1ccccc12 ZINC000438887155 864370754 /nfs/dbraw/zinc/37/07/54/864370754.db2.gz YJMIGTHYLODORC-OXJNMPFZSA-N 0 0 419.403 4.046 20 5 HIBDRN COC(=O)[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)c1ccccc1C ZINC000438899907 864381156 /nfs/dbraw/zinc/38/11/56/864381156.db2.gz ZXGCVNNUYXXWJW-HXUWFJFHSA-N 0 0 404.491 4.402 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000438950339 864422266 /nfs/dbraw/zinc/42/22/66/864422266.db2.gz HHJQPZOYFODIBL-HXUWFJFHSA-N 0 0 411.845 4.480 20 5 HIBDRN CCOC(=O)c1c(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc(OC)cc1OC ZINC000438952308 864424035 /nfs/dbraw/zinc/42/40/35/864424035.db2.gz LZSGAFLVJLBMAF-UHFFFAOYSA-N 0 0 422.821 4.003 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000438963620 864431235 /nfs/dbraw/zinc/43/12/35/864431235.db2.gz IMHKKDUWRFKRRD-UHFFFAOYSA-N 0 0 423.513 4.026 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2ccc(OCC(=O)N(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000438964845 864432344 /nfs/dbraw/zinc/43/23/44/864432344.db2.gz KHMRYSHDOMOHEG-UHFFFAOYSA-N 0 0 419.865 4.091 20 5 HIBDRN CC(C)c1ccc(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)cc1[N+](=O)[O-] ZINC000438970794 864436478 /nfs/dbraw/zinc/43/64/78/864436478.db2.gz VYUYAXPXOBASSF-UHFFFAOYSA-N 0 0 418.453 4.296 20 5 HIBDRN Cc1c(CC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000438992483 864451515 /nfs/dbraw/zinc/45/15/15/864451515.db2.gz HPSMHAKBJIAZNZ-UHFFFAOYSA-N 0 0 402.813 4.122 20 5 HIBDRN Cc1c(CC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)cccc1[N+](=O)[O-] ZINC000439007078 864460377 /nfs/dbraw/zinc/46/03/77/864460377.db2.gz YASWTKQOSIIOLO-UHFFFAOYSA-N 0 0 403.866 4.218 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000439038988 864493452 /nfs/dbraw/zinc/49/34/52/864493452.db2.gz KRWRPPDNSUNSRD-UHFFFAOYSA-N 0 0 424.284 4.240 20 5 HIBDRN NC(=O)c1cccc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1[N+](=O)[O-] ZINC000439090757 864536022 /nfs/dbraw/zinc/53/60/22/864536022.db2.gz AHCCPGCLCBYNCI-UHFFFAOYSA-N 0 0 413.437 4.159 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 ZINC000439103850 864541870 /nfs/dbraw/zinc/54/18/70/864541870.db2.gz XMFSAPPHWOKIKU-AWEZNQCLSA-N 0 0 403.866 4.202 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000439113467 864550467 /nfs/dbraw/zinc/55/04/67/864550467.db2.gz RARNFAZCGQKBCX-UHFFFAOYSA-N 0 0 421.734 4.483 20 5 HIBDRN COc1ccc([C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)c2ccc(F)cc2)cc1 ZINC000439124183 864560095 /nfs/dbraw/zinc/56/00/95/864560095.db2.gz OLVXMZOPFJSJAQ-QHCPKHFHSA-N 0 0 408.429 4.499 20 5 HIBDRN Cc1c(CC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000439125668 864561311 /nfs/dbraw/zinc/56/13/11/864561311.db2.gz WCUXBEULLNHOEI-MRXNPFEDSA-N 0 0 404.850 4.296 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(Cc2nnc3ccccn32)cc1 ZINC000439126216 864561856 /nfs/dbraw/zinc/56/18/56/864561856.db2.gz ZRMHNTJTSICJRV-UHFFFAOYSA-N 0 0 421.844 4.442 20 5 HIBDRN CNC(=O)c1ccc(N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c([N+](=O)[O-])c1 ZINC000439128648 864563062 /nfs/dbraw/zinc/56/30/62/864563062.db2.gz HRVWUOYWZCSFOS-IBGZPJMESA-N 0 0 405.458 4.076 20 5 HIBDRN C[C@H]1CSc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000439144001 864576698 /nfs/dbraw/zinc/57/66/98/864576698.db2.gz DROYIKNARIULLB-JTQLQIEISA-N 0 0 418.418 4.303 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000439154518 864586318 /nfs/dbraw/zinc/58/63/18/864586318.db2.gz HNYFCBQSYFUPAV-UHFFFAOYSA-N 0 0 404.850 4.442 20 5 HIBDRN Cc1cc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1F ZINC000439220766 864637745 /nfs/dbraw/zinc/63/77/45/864637745.db2.gz FYYNJISKHYHPHJ-UHFFFAOYSA-N 0 0 400.431 4.438 20 5 HIBDRN CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(-c2ccccc2)nn1 ZINC000439255703 864671657 /nfs/dbraw/zinc/67/16/57/864671657.db2.gz GQNZLFFBZMEYGU-UHFFFAOYSA-N 0 0 411.421 4.390 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1CCC[C@H](O)C1 ZINC000439266793 864685672 /nfs/dbraw/zinc/68/56/72/864685672.db2.gz CCQJRAGDWBPRSJ-HIFRSBDPSA-N 0 0 422.840 4.347 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000439267396 864685794 /nfs/dbraw/zinc/68/57/94/864685794.db2.gz DLRKQTUDNFHSQB-UHOSZYNNSA-N 0 0 424.501 4.052 20 5 HIBDRN COc1cc(C(=O)N(C)c2cnccn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000439298671 864724286 /nfs/dbraw/zinc/72/42/86/864724286.db2.gz VSGIYHGCKVQBEC-UHFFFAOYSA-N 0 0 414.805 4.116 20 5 HIBDRN CO[C@H](C)c1nc(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])cs1 ZINC000439610899 864931906 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20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1-c1cn[nH]c1 ZINC000439753340 865082029 /nfs/dbraw/zinc/08/20/29/865082029.db2.gz AXJWCNNPKBTEHK-UHFFFAOYSA-N 0 0 419.363 4.444 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC000439752379 865082699 /nfs/dbraw/zinc/08/26/99/865082699.db2.gz UZJXHAGVGUUZEV-GOSISDBHSA-N 0 0 405.458 4.481 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000439788927 865110211 /nfs/dbraw/zinc/11/02/11/865110211.db2.gz JOIIWPUNDIIRRS-UHFFFAOYSA-N 0 0 413.865 4.799 20 5 HIBDRN CC(C)C1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000439832744 865147533 /nfs/dbraw/zinc/14/75/33/865147533.db2.gz SDSZXUSUXDZBAG-UHFFFAOYSA-N 0 0 413.440 4.382 20 5 HIBDRN CC[C@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000439842485 865153301 /nfs/dbraw/zinc/15/33/01/865153301.db2.gz HHOXHAGPFLGAFE-CYBMUJFWSA-N 0 0 408.451 4.052 20 5 HIBDRN CN1C(=O)N(CCc2ccccc2[N+](=O)[O-])C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000467998793 881841596 /nfs/dbraw/zinc/84/15/96/881841596.db2.gz SEFYLLIGGUVTHJ-INIZCTEOSA-N 0 0 408.241 4.079 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000439880532 865192315 /nfs/dbraw/zinc/19/23/15/865192315.db2.gz KABLKMRLJZETQP-OAHLLOKOSA-N 0 0 418.425 4.368 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)[C@@H](C)CC)c1 ZINC000439880097 865192709 /nfs/dbraw/zinc/19/27/09/865192709.db2.gz IQOYSMPSFXRIHY-AWEZNQCLSA-N 0 0 414.462 4.300 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000439886247 865199432 /nfs/dbraw/zinc/19/94/32/865199432.db2.gz CLHASOUDFCGWHS-HXUWFJFHSA-N 0 0 410.405 4.439 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000439887686 865201040 /nfs/dbraw/zinc/20/10/40/865201040.db2.gz LADRQKYOHMYQOB-JTQLQIEISA-N 0 0 409.240 4.034 20 5 HIBDRN CCC[C@H](C)c1cc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC000439893752 865205606 /nfs/dbraw/zinc/20/56/06/865205606.db2.gz MDZADJUXDNHWMK-LSDHHAIUSA-N 0 0 422.489 5.042 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000439893260 865205782 /nfs/dbraw/zinc/20/57/82/865205782.db2.gz WLVKUKFDWZNRPK-BFUOFWGJSA-N 0 0 403.410 4.127 20 5 HIBDRN CCC[C@@H](C)c1cc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC000439893747 865206012 /nfs/dbraw/zinc/20/60/12/865206012.db2.gz MDZADJUXDNHWMK-CABCVRRESA-N 0 0 422.489 5.042 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nccn1CCCc1ccccc1 ZINC000439903463 865213747 /nfs/dbraw/zinc/21/37/47/865213747.db2.gz QOQAKYYNSMIEHH-UHFFFAOYSA-N 0 0 423.473 4.145 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@@H](COC)Cc1ccccc1 ZINC000439916955 865224438 /nfs/dbraw/zinc/22/44/38/865224438.db2.gz RTWWLRGHUGHEAN-GOSISDBHSA-N 0 0 401.463 4.105 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)n1cc([N+](=O)[O-])cn1 ZINC000440038403 865320186 /nfs/dbraw/zinc/32/01/86/865320186.db2.gz RWQADCKERFDTGQ-UHFFFAOYSA-N 0 0 419.363 4.246 20 5 HIBDRN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N(CCO)C1CCC1 ZINC000440154409 865385113 /nfs/dbraw/zinc/38/51/13/865385113.db2.gz ZKQOCMVLYBEYIJ-UHFFFAOYSA-N 0 0 406.891 4.386 20 5 HIBDRN CC(C)CC[C@@](C)(O)CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000440157742 865388040 /nfs/dbraw/zinc/38/80/40/865388040.db2.gz LZHGOTWCKOVDNQ-KSFYIVLOSA-N 0 0 414.506 4.080 20 5 HIBDRN CN(C)C(=O)c1cc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])ccn1 ZINC000440491241 865793592 /nfs/dbraw/zinc/79/35/92/865793592.db2.gz VWAHMRRPVXYORS-UHFFFAOYSA-N 0 0 422.466 4.095 20 5 HIBDRN CC(C)(C)OC(=O)CCSc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000440530400 865806086 /nfs/dbraw/zinc/80/60/86/865806086.db2.gz AATYEBVMPBOPHA-UHFFFAOYSA-N 0 0 402.341 4.468 20 5 HIBDRN CC[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1OCC(=O)N1CCCC1 ZINC000440588297 865826386 /nfs/dbraw/zinc/82/63/86/865826386.db2.gz NDTOAJGVNQELPR-SFHVURJKSA-N 0 0 419.428 4.437 20 5 HIBDRN CCc1nnc(-c2cccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)c2)o1 ZINC000440595078 865828902 /nfs/dbraw/zinc/82/89/02/865828902.db2.gz NDYHDPDOHDZHHR-UHFFFAOYSA-N 0 0 421.457 4.062 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000440598262 865830776 /nfs/dbraw/zinc/83/07/76/865830776.db2.gz VHJZMKBKTUTPDI-GFCCVEGCSA-N 0 0 413.446 4.077 20 5 HIBDRN Cc1cc2ncc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)c(C)n2n1 ZINC000440605711 865833837 /nfs/dbraw/zinc/83/38/37/865833837.db2.gz YJAQTLVYHMTKRN-UHFFFAOYSA-N 0 0 401.426 4.101 20 5 HIBDRN Cc1nc(COc2cccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)c2)cs1 ZINC000440614172 865839663 /nfs/dbraw/zinc/83/96/63/865839663.db2.gz FZHNRSNLYJAPBP-UHFFFAOYSA-N 0 0 420.450 4.739 20 5 HIBDRN COc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000440721008 865874189 /nfs/dbraw/zinc/87/41/89/865874189.db2.gz BUAYHODEXYHJHG-UHFFFAOYSA-N 0 0 404.426 4.392 20 5 HIBDRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000440807425 865926843 /nfs/dbraw/zinc/92/68/43/865926843.db2.gz HZXZJQXNBQCMNZ-DYESRHJHSA-N 0 0 407.474 4.210 20 5 HIBDRN Cc1ccnc(Oc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2)n1 ZINC000440817318 865932362 /nfs/dbraw/zinc/93/23/62/865932362.db2.gz GHRLIHGXDCLHSR-UHFFFAOYSA-N 0 0 405.414 4.312 20 5 HIBDRN Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000440881210 865977049 /nfs/dbraw/zinc/97/70/49/865977049.db2.gz AXAHWGLWHOEAIB-UHFFFAOYSA-N 0 0 402.813 4.195 20 5 HIBDRN Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000440906811 866003462 /nfs/dbraw/zinc/00/34/62/866003462.db2.gz UWUPMUWVOZJZON-UHFFFAOYSA-N 0 0 413.865 4.315 20 5 HIBDRN Cc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000440984350 866065687 /nfs/dbraw/zinc/06/56/87/866065687.db2.gz ZTBUYYUYGKHRHO-MRXNPFEDSA-N 0 0 405.838 4.232 20 5 HIBDRN CC[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)c1ccccc1 ZINC000441045169 866113522 /nfs/dbraw/zinc/11/35/22/866113522.db2.gz BMQGQFNLJYWVIK-KRWDZBQOSA-N 0 0 403.866 4.059 20 5 HIBDRN COC(=O)c1cccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 ZINC000441072752 866162572 /nfs/dbraw/zinc/16/25/72/866162572.db2.gz RQQQFHLJBDTYQQ-UHFFFAOYSA-N 0 0 422.462 4.463 20 5 HIBDRN COCc1nc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(-c2ccccc2)s1 ZINC000441252828 866324979 /nfs/dbraw/zinc/32/49/79/866324979.db2.gz JZVXPBQZXLCHGI-UHFFFAOYSA-N 0 0 412.471 4.495 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441392876 866464200 /nfs/dbraw/zinc/46/42/00/866464200.db2.gz DVHDEXXIMAQEHK-NWDGAFQWSA-N 0 0 424.284 4.491 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000441414451 866488685 /nfs/dbraw/zinc/48/86/85/866488685.db2.gz ZRMNUAKFFKEFOF-TZMCWYRMSA-N 0 0 403.866 4.146 20 5 HIBDRN O=C(c1cc(F)c(F)cc1Br)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441431097 866507768 /nfs/dbraw/zinc/50/77/68/866507768.db2.gz USTRKYVHOXRGSL-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN CCCN(C(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C)c1cccc([N+](=O)[O-])c1 ZINC000441431003 866507906 /nfs/dbraw/zinc/50/79/06/866507906.db2.gz UBPKWSOPLXORJA-UHFFFAOYSA-N 0 0 417.828 4.333 20 5 HIBDRN CCCN(C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C)c1cccc([N+](=O)[O-])c1 ZINC000441435803 866513611 /nfs/dbraw/zinc/51/36/11/866513611.db2.gz NRHIWNRDYALAQH-UHFFFAOYSA-N 0 0 423.473 4.328 20 5 HIBDRN CCCN(C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000441446544 866521630 /nfs/dbraw/zinc/52/16/30/866521630.db2.gz HBHWUMPIERHYOU-UHFFFAOYSA-N 0 0 415.343 4.326 20 5 HIBDRN CCCN(C(=O)c1nc(CC)n(-c2ccccc2Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000441450657 866527084 /nfs/dbraw/zinc/52/70/84/866527084.db2.gz LHGFKEFWDPWZMQ-UHFFFAOYSA-N 0 0 413.865 4.448 20 5 HIBDRN CC[C@@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441470447 866545919 /nfs/dbraw/zinc/54/59/19/866545919.db2.gz JNIZNAVUDDPCMD-HNNXBMFYSA-N 0 0 403.866 4.057 20 5 HIBDRN CO[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000441474554 866552243 /nfs/dbraw/zinc/55/22/43/866552243.db2.gz QVNITLPISKTJLF-PBHICJAKSA-N 0 0 417.893 4.500 20 5 HIBDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441486679 866568499 /nfs/dbraw/zinc/56/84/99/866568499.db2.gz FFAXVDZTNFCRHF-UWJYYQICSA-N 0 0 424.526 4.446 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOc2c(Br)cccc21 ZINC000441526401 866601473 /nfs/dbraw/zinc/60/14/73/866601473.db2.gz QKYGXWLWFCSWNV-UHFFFAOYSA-N 0 0 411.639 4.358 20 5 HIBDRN COc1ccc(NC(C)=O)cc1N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000441611168 866705903 /nfs/dbraw/zinc/70/59/03/866705903.db2.gz NVCKQWPOCNWPSD-UHFFFAOYSA-N 0 0 405.838 4.270 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000441669798 866790839 /nfs/dbraw/zinc/79/08/39/866790839.db2.gz MAKUQIZSCOXQHG-UHFFFAOYSA-N 0 0 413.352 4.004 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000468153694 882015697 /nfs/dbraw/zinc/01/56/97/882015697.db2.gz LDOXHNNLEXDEFC-OAHLLOKOSA-N 0 0 408.520 4.291 20 5 HIBDRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000468163753 882034895 /nfs/dbraw/zinc/03/48/95/882034895.db2.gz IIOHAWRQKVQYML-INIZCTEOSA-N 0 0 420.473 4.115 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)cc([N+](=O)[O-])c1 ZINC000468162943 882033355 /nfs/dbraw/zinc/03/33/55/882033355.db2.gz CLYSUFFBUVTROC-HNNXBMFYSA-N 0 0 411.458 4.321 20 5 HIBDRN COC(=O)c1cc(NCc2cccc(COCC(F)(F)F)c2)cc(C)c1[N+](=O)[O-] ZINC000441939725 867004425 /nfs/dbraw/zinc/00/44/25/867004425.db2.gz BAYLEGVMESXCFG-UHFFFAOYSA-N 0 0 412.364 4.381 20 5 HIBDRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(C)c1 ZINC000442003601 867058547 /nfs/dbraw/zinc/05/85/47/867058547.db2.gz QMIQNHPDFULSJZ-LJQANCHMSA-N 0 0 403.442 4.061 20 5 HIBDRN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)s1 ZINC000468168093 882044237 /nfs/dbraw/zinc/04/42/37/882044237.db2.gz DOSSVDCGNCYNEU-MRVPVSSYSA-N 0 0 403.685 4.492 20 5 HIBDRN CCc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000468183431 882058782 /nfs/dbraw/zinc/05/87/82/882058782.db2.gz ORPUALKFSKURJP-UHFFFAOYSA-N 0 0 415.247 4.358 20 5 HIBDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000442232737 867267618 /nfs/dbraw/zinc/26/76/18/867267618.db2.gz BCNODGDOJWZBAQ-NRFANRHFSA-N 0 0 421.501 4.384 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc12 ZINC000468194233 882072016 /nfs/dbraw/zinc/07/20/16/882072016.db2.gz CGNSNAFNDPIWAU-UHFFFAOYSA-N 0 0 420.377 4.298 20 5 HIBDRN Cc1cc(C)c(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000442262529 867295956 /nfs/dbraw/zinc/29/59/56/867295956.db2.gz USTRIYDFILQXNQ-UHFFFAOYSA-N 0 0 409.467 4.393 20 5 HIBDRN COC(=O)c1ccc(C(C)C)c(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 ZINC000468191434 882068779 /nfs/dbraw/zinc/06/87/79/882068779.db2.gz IFSPBASZPKUGQB-UHFFFAOYSA-N 0 0 418.471 4.488 20 5 HIBDRN C[C@@H]1C[C@H]1[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000442400763 867381151 /nfs/dbraw/zinc/38/11/51/867381151.db2.gz YWBIMEUFTRHUPV-LGFNAOKASA-N 0 0 422.268 4.354 20 5 HIBDRN Cc1ccc(Oc2ccccc2)c(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000442428261 867397719 /nfs/dbraw/zinc/39/77/19/867397719.db2.gz FOOGZHYSEKYXMR-UHFFFAOYSA-N 0 0 419.437 4.293 20 5 HIBDRN Cc1nnc([C@@H]2CCCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000442631509 867573805 /nfs/dbraw/zinc/57/38/05/867573805.db2.gz UJKMPYOGECGXGS-OAHLLOKOSA-N 0 0 423.498 4.192 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2ccc(Br)cc21 ZINC000468216435 882098687 /nfs/dbraw/zinc/09/86/87/882098687.db2.gz SFOJHNKANZQVRC-NSHDSACASA-N 0 0 423.288 4.264 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(-c3nc([C@H]4CCOC[C@@H]4C)no3)cc2[N+](=O)[O-])C1 ZINC000442688164 867622233 /nfs/dbraw/zinc/62/22/33/867622233.db2.gz KYDNSPRCKOWPJC-IVSAIRAKSA-N 0 0 400.479 4.267 20 5 HIBDRN CC(C)c1[nH]nc(-c2nc(C3(c4cccc(Br)c4)CC3)no2)c1[N+](=O)[O-] ZINC000442691355 867625243 /nfs/dbraw/zinc/62/52/43/867625243.db2.gz XRWZQXOBNRVISC-UHFFFAOYSA-N 0 0 418.251 4.334 20 5 HIBDRN COc1cccc(CCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n1 ZINC000442696699 867631641 /nfs/dbraw/zinc/63/16/41/867631641.db2.gz VMFVLBGIRHVEGP-UHFFFAOYSA-N 0 0 409.467 4.122 20 5 HIBDRN CCc1ccc([C@@H](NCc2cccc(N3CCC3=O)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000442799874 867679455 /nfs/dbraw/zinc/67/94/55/867679455.db2.gz LGFCYFMGQIWSQV-QHCPKHFHSA-N 0 0 405.454 4.366 20 5 HIBDRN CCc1ccc(OCC(=O)c2cc(OC)c(OC)cc2Br)c([N+](=O)[O-])c1 ZINC000442912763 867736521 /nfs/dbraw/zinc/73/65/21/867736521.db2.gz LEWFAEXLBZPGPF-UHFFFAOYSA-N 0 0 424.247 4.199 20 5 HIBDRN CC[C@]1(C)Oc2ccc(NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)cc2O1 ZINC000442971069 867771439 /nfs/dbraw/zinc/77/14/39/867771439.db2.gz HLDXSGXNTRPBBJ-HXUWFJFHSA-N 0 0 418.471 4.373 20 5 HIBDRN CC1(C)CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000442976264 867773035 /nfs/dbraw/zinc/77/30/35/867773035.db2.gz SQHIISGNQDIFCQ-XJCBTKLQSA-N 0 0 416.521 4.491 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(=O)n(C)c2c1 ZINC000443176179 867859788 /nfs/dbraw/zinc/85/97/88/867859788.db2.gz UHPYSMSRTXMZQT-UHFFFAOYSA-N 0 0 400.460 4.188 20 5 HIBDRN Cn1c(=O)[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc21 ZINC000443176918 867860097 /nfs/dbraw/zinc/86/00/97/867860097.db2.gz XHXLVHCRZKFDJM-UHFFFAOYSA-N 0 0 417.425 4.052 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)CCc1ccccc1Cl ZINC000443211681 867876449 /nfs/dbraw/zinc/87/64/49/867876449.db2.gz ZBMHZZYXZMBCBM-UHFFFAOYSA-N 0 0 404.669 4.027 20 5 HIBDRN Cc1cc(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)nc(-c2ccc(Cl)cc2)n1 ZINC000443428860 868012204 /nfs/dbraw/zinc/01/22/04/868012204.db2.gz JVSZPMWRIBRRQG-UHFFFAOYSA-N 0 0 417.874 4.129 20 5 HIBDRN CCCOc1cc(NC(=O)c2cc(C)nc(OC)c2)c([N+](=O)[O-])cc1OCCC ZINC000443465610 868053411 /nfs/dbraw/zinc/05/34/11/868053411.db2.gz NXDTULIEWBKSJD-UHFFFAOYSA-N 0 0 403.435 4.137 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000468247236 882152276 /nfs/dbraw/zinc/15/22/76/882152276.db2.gz OMERFWJQPHBWJN-UHFFFAOYSA-N 0 0 421.428 4.235 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000443555187 868108938 /nfs/dbraw/zinc/10/89/38/868108938.db2.gz CMZZZUDDGFROLL-UHFFFAOYSA-N 0 0 419.934 4.148 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OC)cc2O)cc1 ZINC000443563376 868119806 /nfs/dbraw/zinc/11/98/06/868119806.db2.gz XDSUMTHSSLPUOC-UHFFFAOYSA-N 0 0 410.382 4.362 20 5 HIBDRN CN(C(=O)CN(Cc1csc(Br)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000443646191 868235684 /nfs/dbraw/zinc/23/56/84/868235684.db2.gz WETKOYRZIMTHOM-UHFFFAOYSA-N 0 0 424.320 4.046 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443648552 868242054 /nfs/dbraw/zinc/24/20/54/868242054.db2.gz YYXDTGWLZJOVOC-UONOGXRCSA-N 0 0 412.421 4.082 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N(Cc2cc(F)ccc2F)c2ccccc2)c1 ZINC000443753721 868324141 /nfs/dbraw/zinc/32/41/41/868324141.db2.gz DXZKOTAGCIRLAD-UHFFFAOYSA-N 0 0 418.421 4.410 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCc3ccccc3[C@H]2c2ccccc2)c1 ZINC000443762862 868326655 /nfs/dbraw/zinc/32/66/55/868326655.db2.gz XCIXPPVMBUOATB-JOCHJYFZSA-N 0 0 408.479 4.072 20 5 HIBDRN Cc1cccc(C)c1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000443806178 868342380 /nfs/dbraw/zinc/34/23/80/868342380.db2.gz USBHIRUUMKDQPG-UHFFFAOYSA-N 0 0 407.392 4.193 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC(Cc2ccccc2Cl)C1 ZINC000443845223 868375121 /nfs/dbraw/zinc/37/51/21/868375121.db2.gz RTTCFLXNCKTMBG-UHFFFAOYSA-N 0 0 413.905 4.166 20 5 HIBDRN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443853609 868383574 /nfs/dbraw/zinc/38/35/74/868383574.db2.gz SPDQNFHJBMAMPW-LBPRGKRZSA-N 0 0 419.363 4.028 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000443859181 868391352 /nfs/dbraw/zinc/39/13/52/868391352.db2.gz LXMLOBHJHCSWCL-AWEZNQCLSA-N 0 0 410.348 4.266 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc2c(cc1Br)CCC2 ZINC000443871310 868402167 /nfs/dbraw/zinc/40/21/67/868402167.db2.gz VQWASFCRMXITSZ-UHFFFAOYSA-N 0 0 414.259 4.439 20 5 HIBDRN CC(=O)N1CCC(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)CC1 ZINC000443885763 868421970 /nfs/dbraw/zinc/42/19/70/868421970.db2.gz ZIIOKBKJKNVJNF-UHFFFAOYSA-N 0 0 416.503 4.004 20 5 HIBDRN CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443895206 868431847 /nfs/dbraw/zinc/43/18/47/868431847.db2.gz FURPDJQRIAKDIR-UHFFFAOYSA-N 0 0 401.728 4.478 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2nc3ccc(F)cn3n2)cc1[N+](=O)[O-] ZINC000443925742 868462773 /nfs/dbraw/zinc/46/27/73/868462773.db2.gz DYIHJHCIYATVBM-UHFFFAOYSA-N 0 0 403.439 4.167 20 5 HIBDRN Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2cccnc2c1C ZINC000443927201 868465827 /nfs/dbraw/zinc/46/58/27/868465827.db2.gz LSQHITBHJHDOLY-MRXNPFEDSA-N 0 0 424.482 4.065 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](Cc2ccc(F)cc2)C(C)C)cc1OC ZINC000443942598 868478568 /nfs/dbraw/zinc/47/85/68/868478568.db2.gz CYMMMXNTOHTKAN-SFHVURJKSA-N 0 0 418.465 4.481 20 5 HIBDRN O=C(N[C@@H]1CCOc2ccc(F)cc21)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444003532 868523981 /nfs/dbraw/zinc/52/39/81/868523981.db2.gz JKKGJQBRFXYEJO-GOSISDBHSA-N 0 0 406.388 4.213 20 5 HIBDRN O=C(NCCCc1cccc(F)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444003970 868526800 /nfs/dbraw/zinc/52/68/00/868526800.db2.gz PHLXPPXUUSVRNQ-UHFFFAOYSA-N 0 0 410.395 4.461 20 5 HIBDRN CCCO[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444011763 868535119 /nfs/dbraw/zinc/53/51/19/868535119.db2.gz UFEKRDPWNIQWGP-OAHLLOKOSA-N 0 0 414.452 4.381 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)cc1OC ZINC000444034433 868569260 /nfs/dbraw/zinc/56/92/60/868569260.db2.gz 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O=C(NCc1cc(F)c(Cl)cc1F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000447744072 871692434 /nfs/dbraw/zinc/69/24/34/871692434.db2.gz JDUVNSKINFBBSO-UHFFFAOYSA-N 0 0 405.582 4.219 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2ccc3ccsc3c2=O)cc1OC ZINC000447781114 871712042 /nfs/dbraw/zinc/71/20/42/871712042.db2.gz ZRNQAESDRLTWOO-CYBMUJFWSA-N 0 0 402.472 4.453 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000447785418 871717009 /nfs/dbraw/zinc/71/70/09/871717009.db2.gz INAUYXWVKWNINT-LJQANCHMSA-N 0 0 421.453 4.284 20 5 HIBDRN COc1ccc2ccccc2c1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447812455 871745711 /nfs/dbraw/zinc/74/57/11/871745711.db2.gz RKHODCSELZFZFK-UHFFFAOYSA-N 0 0 407.470 4.201 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000447818864 871747586 /nfs/dbraw/zinc/74/75/86/871747586.db2.gz ZFPBOKUTRHYKCC-REWPJTCUSA-N 0 0 411.502 4.007 20 5 HIBDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000447864495 871789155 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ZINC000448529056 872524109 /nfs/dbraw/zinc/52/41/09/872524109.db2.gz MCMNWUSBKOMKLP-INIZCTEOSA-N 0 0 421.501 4.254 20 5 HIBDRN CN(Cc1ccccc1NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccs1 ZINC000460109742 872575691 /nfs/dbraw/zinc/57/56/91/872575691.db2.gz PXHOVZYPWSXCMS-UHFFFAOYSA-N 0 0 409.467 4.110 20 5 HIBDRN Cc1c(-c2nc(C3(c4ccccc4)CCC3)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000460141975 872647047 /nfs/dbraw/zinc/64/70/47/872647047.db2.gz HVDOBFXIROHGQK-UHFFFAOYSA-N 0 0 402.414 4.004 20 5 HIBDRN Cc1c(-c2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)cccc1[N+](=O)[O-] ZINC000460148158 872663141 /nfs/dbraw/zinc/66/31/41/872663141.db2.gz CFQVAOBGGZNJAE-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC000460155414 872687366 /nfs/dbraw/zinc/68/73/66/872687366.db2.gz NWDMVRRFPDCRSW-UHFFFAOYSA-N 0 0 406.876 4.432 20 5 HIBDRN O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(CCn3ccc4ccccc43)no2)n1 ZINC000460170751 872724744 /nfs/dbraw/zinc/72/47/44/872724744.db2.gz 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ZINC000460730702 873542708 /nfs/dbraw/zinc/54/27/08/873542708.db2.gz QJYPKODYQKTMQL-UHFFFAOYSA-N 0 0 418.457 4.205 20 5 HIBDRN Cc1c(Cc2nc(-c3ccccc3I)no2)cccc1[N+](=O)[O-] ZINC000460737583 873559712 /nfs/dbraw/zinc/55/97/12/873559712.db2.gz QEZDNBBACBWCIT-UHFFFAOYSA-N 0 0 421.194 4.149 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000468621836 882740336 /nfs/dbraw/zinc/74/03/36/882740336.db2.gz OZLIFPDEPUJBJI-SFHVURJKSA-N 0 0 408.401 4.407 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000460778881 873632128 /nfs/dbraw/zinc/63/21/28/873632128.db2.gz NMXMJFSEZMPOKP-VDGAXYAQSA-N 0 0 413.522 4.295 20 5 HIBDRN CCCO[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)CC1 ZINC000460904030 873812634 /nfs/dbraw/zinc/81/26/34/873812634.db2.gz HUHJFPCHVWQPOY-LJQANCHMSA-N 0 0 401.511 4.295 20 5 HIBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CCc1nccs1)C(C)C ZINC000460928263 873832102 /nfs/dbraw/zinc/83/21/02/873832102.db2.gz YLNJKMGIMWHUNW-UHFFFAOYSA-N 0 0 414.535 4.423 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1 ZINC000460946700 873844709 /nfs/dbraw/zinc/84/47/09/873844709.db2.gz ZZGXXDNMISVDMR-UHFFFAOYSA-N 0 0 400.438 4.231 20 5 HIBDRN CC(C)[C@H]1CCCN1C(=O)c1cc(C(=O)N2CCC[C@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000460999070 873879389 /nfs/dbraw/zinc/87/93/89/873879389.db2.gz IAVXMRAJVCDHGQ-BGYRXZFFSA-N 0 0 401.507 4.116 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCC4(CCOCC4)C3)cc2[N+](=O)[O-])C1 ZINC000461006989 873882237 /nfs/dbraw/zinc/88/22/37/873882237.db2.gz OKRGPDZKLVNWON-HDICACEKSA-N 0 0 415.534 4.110 20 5 HIBDRN C[C@@H]1CC[C@H](C)N(C(=O)c2cc(C(=O)N3C[C@@H](C)CC[C@H]3C)cc([N+](=O)[O-])c2)C1 ZINC000461017671 873886972 /nfs/dbraw/zinc/88/69/72/873886972.db2.gz FASXYVCKERYEOL-ZYGGUILKSA-N 0 0 401.507 4.116 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000461026584 873892293 /nfs/dbraw/zinc/89/22/93/873892293.db2.gz GVHCPDIQIPOTAF-GCJKJVERSA-N 0 0 408.498 4.374 20 5 HIBDRN CC[C@]1(C)CCN(C(=O)c2cc(C(=O)N3CC[C@@](C)(CC)C3)cc([N+](=O)[O-])c2)C1 ZINC000461029813 873894007 /nfs/dbraw/zinc/89/40/07/873894007.db2.gz VHRMKPSDQHWLBP-FGZHOGPDSA-N 0 0 401.507 4.119 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc3cc[nH]c3n2)cc1 ZINC000461103456 874024117 /nfs/dbraw/zinc/02/41/17/874024117.db2.gz YTEDRDODRARSBB-UHFFFAOYSA-N 0 0 418.409 4.202 20 5 HIBDRN Cc1ccccc1-c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@@H]1CCCO1 ZINC000461120074 874046878 /nfs/dbraw/zinc/04/68/78/874046878.db2.gz BXLXCKVFYOXFQI-IBGZPJMESA-N 0 0 421.501 4.020 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@H]3C3CCCC3)n2C[C@H]2CCCO2)cc1 ZINC000461176492 874155039 /nfs/dbraw/zinc/15/50/39/874155039.db2.gz XUCRURUFTJLUQU-UXHICEINSA-N 0 0 411.506 4.191 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461191227 874185319 /nfs/dbraw/zinc/18/53/19/874185319.db2.gz YBERDSSNVMWBOE-UHFFFAOYSA-N 0 0 408.376 4.231 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1nc2ccccc2n1C ZINC000461286784 874292235 /nfs/dbraw/zinc/29/22/35/874292235.db2.gz ZFPZDJSLPRLPNS-UHFFFAOYSA-N 0 0 415.453 4.370 20 5 HIBDRN COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000468698462 882818858 /nfs/dbraw/zinc/81/88/58/882818858.db2.gz LJUHINVYAIAFPJ-UHFFFAOYSA-N 0 0 411.389 4.156 20 5 HIBDRN Cc1ccc(CCC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(Br)c1 ZINC000461385600 874391209 /nfs/dbraw/zinc/39/12/09/874391209.db2.gz JHVQIVSRXZQBAA-UHFFFAOYSA-N 0 0 419.275 4.020 20 5 HIBDRN O=C(N1CCOc2ccc([N+](=O)[O-])cc2C1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000461399769 874407821 /nfs/dbraw/zinc/40/78/21/874407821.db2.gz CTAHMFVAEFQDJA-UHFFFAOYSA-N 0 0 406.360 4.066 20 5 HIBDRN Cc1ccc(OCCCC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(Cl)c1 ZINC000461398941 874409093 /nfs/dbraw/zinc/40/90/93/874409093.db2.gz OEJKFOLTKGRCQZ-UHFFFAOYSA-N 0 0 404.850 4.137 20 5 HIBDRN CC(C)c1cc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c2cnn(C(C)C)c2n1 ZINC000461400994 874410161 /nfs/dbraw/zinc/41/01/61/874410161.db2.gz HLOYYWBQWFURKM-UHFFFAOYSA-N 0 0 423.473 4.079 20 5 HIBDRN COCc1c(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)sc2cccc(F)c21 ZINC000461401475 874410924 /nfs/dbraw/zinc/41/09/24/874410924.db2.gz KAINJCVUDHLIIM-UHFFFAOYSA-N 0 0 416.430 4.130 20 5 HIBDRN O=C([C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461408817 874422911 /nfs/dbraw/zinc/42/29/11/874422911.db2.gz PHMUXUJTZHYATG-GJZGRUSLSA-N 0 0 407.253 4.426 20 5 HIBDRN O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461411278 874425463 /nfs/dbraw/zinc/42/54/63/874425463.db2.gz MRRJYVNYOFJEPA-UHFFFAOYSA-N 0 0 400.740 4.302 20 5 HIBDRN Cc1csc(Nc2ccc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)cc2)n1 ZINC000461410845 874426238 /nfs/dbraw/zinc/42/62/38/874426238.db2.gz WCBYOGUWJLAZGC-UHFFFAOYSA-N 0 0 410.455 4.138 20 5 HIBDRN COC(=O)[C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000461412394 874428223 /nfs/dbraw/zinc/42/82/23/874428223.db2.gz BNUHZUNRODPPSS-IBGZPJMESA-N 0 0 419.437 4.025 20 5 HIBDRN CCCOc1ccc(CN(CCC)C(=O)c2cccc([N+](=O)[O-])c2N)cc1OC ZINC000468729036 882831442 /nfs/dbraw/zinc/83/14/42/882831442.db2.gz LWEUTFFTFTWZHA-UHFFFAOYSA-N 0 0 401.463 4.027 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2cccnc2OCC(F)(F)F)c(Br)c1 ZINC000461462346 874521261 /nfs/dbraw/zinc/52/12/61/874521261.db2.gz JEYMCYCITMDGBQ-UHFFFAOYSA-N 0 0 406.158 4.306 20 5 HIBDRN CO[C@@H](C)CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1)C(C)C ZINC000461493785 874563900 /nfs/dbraw/zinc/56/39/00/874563900.db2.gz CSRNMMILKGFYNP-HNNXBMFYSA-N 0 0 415.519 4.213 20 5 HIBDRN CC(C)CCc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C[C@H]1CCOC1 ZINC000461518634 874598445 /nfs/dbraw/zinc/59/84/45/874598445.db2.gz DCFMEPCLIONFFR-LJQANCHMSA-N 0 0 415.538 4.226 20 5 HIBDRN Cc1ccc([C@@H](C)N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)cc1 ZINC000461536302 874622239 /nfs/dbraw/zinc/62/22/39/874622239.db2.gz VRQFWFLLRVCMKT-QZTJIDSGSA-N 0 0 421.501 4.396 20 5 HIBDRN C[C@@H]1c2ccccc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 ZINC000461535167 874622724 /nfs/dbraw/zinc/62/27/24/874622724.db2.gz KVYKGDYFVBHCGX-IAGOWNOFSA-N 0 0 419.485 4.014 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C12CCCCC2 ZINC000461541748 874628518 /nfs/dbraw/zinc/62/85/18/874628518.db2.gz GFVHGLGHDKNIGE-RBUKOAKNSA-N 0 0 422.547 4.081 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C12CCCCC2 ZINC000461544122 874631327 /nfs/dbraw/zinc/63/13/27/874631327.db2.gz LCQPHDURFGNKKG-ZWKOTPCHSA-N 0 0 408.520 4.183 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C12CCCCC2 ZINC000461546180 874632799 /nfs/dbraw/zinc/63/27/99/874632799.db2.gz UYAORYGYBGPUSR-DHIUTWEWSA-N 0 0 418.537 4.399 20 5 HIBDRN CCCCCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1)C(C)C ZINC000461581318 874687980 /nfs/dbraw/zinc/68/79/80/874687980.db2.gz TWVCBIZWRAQZBN-KRWDZBQOSA-N 0 0 401.511 4.295 20 5 HIBDRN CC(C)C[C@@H]1CCCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461590067 874706904 /nfs/dbraw/zinc/70/69/04/874706904.db2.gz LNIVUVNAWMQWLO-HKUYNNGSSA-N 0 0 413.522 4.295 20 5 HIBDRN CCCCCN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[C@@H](C)CCC ZINC000468791886 882862217 /nfs/dbraw/zinc/86/22/17/882862217.db2.gz BZFJOILKEKNFFF-HNNXBMFYSA-N 0 0 403.479 4.069 20 5 HIBDRN C[C@H]1c2ccccc2CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 ZINC000461640167 874797941 /nfs/dbraw/zinc/79/79/41/874797941.db2.gz MALSQDXRLNEKIG-IRXDYDNUSA-N 0 0 419.485 4.014 20 5 HIBDRN Cc1cc(Sc2nnc(-c3cccnc3)n2Cc2ccco2)c(F)cc1[N+](=O)[O-] ZINC000461736911 874881855 /nfs/dbraw/zinc/88/18/55/874881855.db2.gz VBMQYOUGQSCIEY-UHFFFAOYSA-N 0 0 411.418 4.488 20 5 HIBDRN Cc1cc(N2CCC(C(=O)Nc3ccccc3O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461736897 874881962 /nfs/dbraw/zinc/88/19/62/874881962.db2.gz UZJLTYIPLGDTPG-UHFFFAOYSA-N 0 0 423.391 4.483 20 5 HIBDRN CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(C(=O)N2C[C@@H](C)C[C@H]2CC)cc([N+](=O)[O-])c1 ZINC000461748065 874889536 /nfs/dbraw/zinc/88/95/36/874889536.db2.gz GNOKPYFJLVEGMC-WTLGNFPFSA-N 0 0 401.507 4.116 20 5 HIBDRN Cc1cc(NCc2ccc(N3CCO[C@H](C)C3)nc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461780534 874903049 /nfs/dbraw/zinc/90/30/49/874903049.db2.gz YBSGNMUYWCHWRW-CYBMUJFWSA-N 0 0 410.396 4.154 20 5 HIBDRN CC[C@@H](C)c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@@H]1CCCCO1 ZINC000461822239 874946967 /nfs/dbraw/zinc/94/69/67/874946967.db2.gz ZYDLIYQBWQPGIA-APWZRJJASA-N 0 0 413.522 4.438 20 5 HIBDRN CC(C)c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C[C@@H]1CCCCO1 ZINC000461863219 875013789 /nfs/dbraw/zinc/01/37/89/875013789.db2.gz XLBJHGMQNKXVPY-IBGZPJMESA-N 0 0 401.511 4.294 20 5 HIBDRN COc1cc(Nc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000461878005 875030034 /nfs/dbraw/zinc/03/00/34/875030034.db2.gz XWPFXIZXEOTGPC-UHFFFAOYSA-N 0 0 404.366 4.078 20 5 HIBDRN Cc1cccc(F)c1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461914621 875056732 /nfs/dbraw/zinc/05/67/32/875056732.db2.gz QJZGXDVJXCRKJY-UHFFFAOYSA-N 0 0 400.332 4.295 20 5 HIBDRN CCc1nsc(N2CCCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 ZINC000461946199 875078453 /nfs/dbraw/zinc/07/84/53/875078453.db2.gz MOENRAHMYNTZHB-UHFFFAOYSA-N 0 0 415.441 4.053 20 5 HIBDRN Cc1cc(N2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461953437 875083757 /nfs/dbraw/zinc/08/37/57/875083757.db2.gz DPQIQMKTNRDKHT-ZDUSSCGKSA-N 0 0 417.466 4.037 20 5 HIBDRN COc1ccccc1N1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000462091070 875199706 /nfs/dbraw/zinc/19/97/06/875199706.db2.gz FLLLABFINRRLFO-ZDUSSCGKSA-N 0 0 406.280 4.304 20 5 HIBDRN Cc1c(CSC(C)C)cccc1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000462192239 875299225 /nfs/dbraw/zinc/29/92/25/875299225.db2.gz WUAXLIZBWBQKCG-UHFFFAOYSA-N 0 0 417.487 4.324 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Cl)c2ccccc21 ZINC000462207153 875315654 /nfs/dbraw/zinc/31/56/54/875315654.db2.gz FPKMSMOPMLRGLA-CYBMUJFWSA-N 0 0 421.844 4.473 20 5 HIBDRN COC(=O)c1cc(Br)cc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000462287238 875410930 /nfs/dbraw/zinc/41/09/30/875410930.db2.gz QPSZKOSQRYAPPF-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Sc1nncn1C ZINC000462413545 875520380 /nfs/dbraw/zinc/52/03/80/875520380.db2.gz BBSTVUGPIYWCEY-OAHLLOKOSA-N 0 0 411.487 4.082 20 5 HIBDRN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000462420348 875527027 /nfs/dbraw/zinc/52/70/27/875527027.db2.gz VEYCQGMROCVUIF-ORAYPTAESA-N 0 0 424.906 4.016 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000462422760 875528402 /nfs/dbraw/zinc/52/84/02/875528402.db2.gz PHZKQFBPUXAOJI-RBUKOAKNSA-N 0 0 409.486 4.041 20 5 HIBDRN CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462428875 875535504 /nfs/dbraw/zinc/53/55/04/875535504.db2.gz PIQXEFGUDGDNMB-UHFFFAOYSA-N 0 0 411.213 4.395 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000462431252 875537660 /nfs/dbraw/zinc/53/76/60/875537660.db2.gz JTTWOKINWHFHSY-WBVHZDCISA-N 0 0 400.475 4.367 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000462436036 875541046 /nfs/dbraw/zinc/54/10/46/875541046.db2.gz JRTROKBPJXESTF-JENIJYKNSA-N 0 0 411.502 4.416 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000462437396 875542612 /nfs/dbraw/zinc/54/26/12/875542612.db2.gz ROWYVCBXQKQKEU-HKUYNNGSSA-N 0 0 402.516 4.433 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]1c1ccccc1 ZINC000462455521 875560485 /nfs/dbraw/zinc/56/04/85/875560485.db2.gz DNCZGXHEGNGVJR-CQSZACIVSA-N 0 0 401.271 4.427 20 5 HIBDRN CN([C@@H]1CCc2ccccc21)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462458933 875566418 /nfs/dbraw/zinc/56/64/18/875566418.db2.gz XDLLGUHHQBSKPM-CQSZACIVSA-N 0 0 401.271 4.210 20 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420.307 4.249 20 5 HIBDRN Cc1c(Br)cc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000462912105 875937261 /nfs/dbraw/zinc/93/72/61/875937261.db2.gz IQUJKIZZIHYZHS-YJBOKZPZSA-N 0 0 419.275 4.316 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCc3ccc(C(F)F)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000462921640 875950704 /nfs/dbraw/zinc/95/07/04/875950704.db2.gz CHKYIXBPLAAHCH-UHFFFAOYSA-N 0 0 414.412 4.324 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2NC)cn1 ZINC000462927868 875957304 /nfs/dbraw/zinc/95/73/04/875957304.db2.gz STZYXIXAPRAOEL-UHFFFAOYSA-N 0 0 422.441 4.153 20 5 HIBDRN CNc1c(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000462930418 875958006 /nfs/dbraw/zinc/95/80/06/875958006.db2.gz VRCVYDZRTCZYMT-UHFFFAOYSA-N 0 0 401.850 4.025 20 5 HIBDRN C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000462945954 875966327 /nfs/dbraw/zinc/96/63/27/875966327.db2.gz UAMFXSXHFYEWHC-ZDUSSCGKSA-N 0 0 414.849 4.092 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000462986616 876000381 /nfs/dbraw/zinc/00/03/81/876000381.db2.gz KVXBACMTUOPIEC-AWEZNQCLSA-N 0 0 412.471 4.370 20 5 HIBDRN CNc1c(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000462990328 876004541 /nfs/dbraw/zinc/00/45/41/876004541.db2.gz NCCXDVOEKPOTCZ-PMERELPUSA-N 0 0 423.494 4.338 20 5 HIBDRN C[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc(F)cc1F ZINC000463014331 876031479 /nfs/dbraw/zinc/03/14/79/876031479.db2.gz VGNOTJLVFLAQLY-LLVKDONJSA-N 0 0 420.803 4.288 20 5 HIBDRN COCCCCc1cccnc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000463033813 876054895 /nfs/dbraw/zinc/05/48/95/876054895.db2.gz MLKSOZBMIHTMDX-UHFFFAOYSA-N 0 0 422.279 4.282 20 5 HIBDRN COCCCCc1cccnc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000463035345 876055758 /nfs/dbraw/zinc/05/57/58/876055758.db2.gz PDXHTWWRKFKFJO-ZDUSSCGKSA-N 0 0 407.854 4.018 20 5 HIBDRN COCCCCc1cccnc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000463035344 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CCOc1cc(NC(=O)c2sc(C(F)(F)F)nc2C)c([N+](=O)[O-])cc1OCC ZINC000463296522 876356349 /nfs/dbraw/zinc/35/63/49/876356349.db2.gz DQSAIBCHPKZIGX-UHFFFAOYSA-N 0 0 419.381 4.428 20 5 HIBDRN NC(=O)c1ccc(CN2CCC(c3cccc(Cl)c3Cl)CC2)c([N+](=O)[O-])c1 ZINC000463362888 876417859 /nfs/dbraw/zinc/41/78/59/876417859.db2.gz UQEKQKUKKGIJLM-UHFFFAOYSA-N 0 0 408.285 4.380 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000468961234 883027044 /nfs/dbraw/zinc/02/70/44/883027044.db2.gz MQDBYKKXVSHELH-SECBINFHSA-N 0 0 412.215 4.388 20 5 HIBDRN COc1cc(CSc2nnc(C3CC3)n2Cc2ccco2)c([N+](=O)[O-])cc1F ZINC000463410209 876463782 /nfs/dbraw/zinc/46/37/82/876463782.db2.gz ILAUWZSARWYHHY-UHFFFAOYSA-N 0 0 404.423 4.145 20 5 HIBDRN COc1cc(CSc2nc3cc(Br)cnc3[nH]2)c([N+](=O)[O-])cc1F ZINC000463411074 876465311 /nfs/dbraw/zinc/46/53/11/876465311.db2.gz RQKMPULMGYAUSV-UHFFFAOYSA-N 0 0 413.228 4.069 20 5 HIBDRN COc1cc(Cn2cnc3cc(-c4ccccc4)sc3c2=O)c([N+](=O)[O-])cc1F ZINC000463439939 876497425 /nfs/dbraw/zinc/49/74/25/876497425.db2.gz CFEWHIKSRBFMHI-UHFFFAOYSA-N 0 0 411.414 4.229 20 5 HIBDRN Cc1sc(NC(=O)COc2cc(F)cc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000463452581 876511612 /nfs/dbraw/zinc/51/16/12/876511612.db2.gz CHMKKJAMIJVTSA-UHFFFAOYSA-N 0 0 405.382 4.322 20 5 HIBDRN CN(CC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1[N+](=O)[O-] ZINC000463456946 876517704 /nfs/dbraw/zinc/51/77/04/876517704.db2.gz IQKWAZDUNOUCMQ-UHFFFAOYSA-N 0 0 410.499 4.047 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000463538287 876617226 /nfs/dbraw/zinc/61/72/26/876617226.db2.gz AYOROVMEKFIBPW-AWEZNQCLSA-N 0 0 406.385 4.055 20 5 HIBDRN CCCOc1cc(NC(=O)c2nc(C)c(C)nc2C)c([N+](=O)[O-])cc1OCCC ZINC000463634427 876752762 /nfs/dbraw/zinc/75/27/62/876752762.db2.gz KQVAXBFZTBABNO-UHFFFAOYSA-N 0 0 402.451 4.140 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000463677582 876800309 /nfs/dbraw/zinc/80/03/09/876800309.db2.gz HJZDKDLGJFACMJ-UHFFFAOYSA-N 0 0 421.375 4.377 20 5 HIBDRN CCc1ccc(-c2ccc(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000463704887 876823741 /nfs/dbraw/zinc/82/37/41/876823741.db2.gz RGUQPSQKJZJJGH-QGZVFWFLSA-N 0 0 406.442 4.139 20 5 HIBDRN Cc1cc2c(cc1C)O[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)C2 ZINC000463851200 876973633 /nfs/dbraw/zinc/97/36/33/876973633.db2.gz QHMKZDOXAAPWSB-GOSISDBHSA-N 0 0 408.376 4.106 20 5 HIBDRN C[C@H](c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000463885448 877006597 /nfs/dbraw/zinc/00/65/97/877006597.db2.gz CEIDZJKPFKHHJQ-CYBMUJFWSA-N 0 0 423.391 4.259 20 5 HIBDRN CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000463898189 877019344 /nfs/dbraw/zinc/01/93/44/877019344.db2.gz TYZFRVWBOSOCGX-CHWSQXEVSA-N 0 0 407.492 4.193 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc(OC)c1OC ZINC000463966973 877092487 /nfs/dbraw/zinc/09/24/87/877092487.db2.gz IYUJRGWAVSCDOI-CYBMUJFWSA-N 0 0 403.435 4.120 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000463974718 877101464 /nfs/dbraw/zinc/10/14/64/877101464.db2.gz JAWZLZKPIUBVQV-KRWDZBQOSA-N 0 0 406.446 4.366 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 ZINC000463978524 877106831 /nfs/dbraw/zinc/10/68/31/877106831.db2.gz DXZWFZFHRKLEMU-JTQLQIEISA-N 0 0 417.409 4.440 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000463996147 877131362 /nfs/dbraw/zinc/13/13/62/877131362.db2.gz KBUYJUMZQUGZSP-UHFFFAOYSA-N 0 0 410.257 4.116 20 5 HIBDRN CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cs1 ZINC000463995890 877131529 /nfs/dbraw/zinc/13/15/29/877131529.db2.gz MZZGHFNBJLHZNT-CQSZACIVSA-N 0 0 418.519 4.021 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000464033219 877169260 /nfs/dbraw/zinc/16/92/60/877169260.db2.gz RAYJCRJWCUCKIQ-UHFFFAOYSA-N 0 0 410.257 4.116 20 5 HIBDRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000464038546 877177308 /nfs/dbraw/zinc/17/73/08/877177308.db2.gz BDBNWLSSVDEAAR-UNMCSNQZSA-N 0 0 404.470 4.497 20 5 HIBDRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000464052619 877194766 /nfs/dbraw/zinc/19/47/66/877194766.db2.gz RCOLOOBTPCUMEN-UNMCSNQZSA-N 0 0 404.470 4.497 20 5 HIBDRN Cc1ccc(NCCCNC(=O)c2c(C)cccc2Br)c([N+](=O)[O-])c1 ZINC000464053633 877196808 /nfs/dbraw/zinc/19/68/08/877196808.db2.gz MVQYQRUVMPWYCS-UHFFFAOYSA-N 0 0 406.280 4.206 20 5 HIBDRN COc1cc(CNc2cc(C(=O)N(C)C(C)C)ccc2Cl)c([N+](=O)[O-])cc1F ZINC000464072674 877223048 /nfs/dbraw/zinc/22/30/48/877223048.db2.gz MOZHDWTUJDFOIS-UHFFFAOYSA-N 0 0 409.845 4.488 20 5 HIBDRN COc1cc(CNc2cc(Cl)ccc2C(=O)N2CCCC2)c([N+](=O)[O-])cc1F ZINC000464092550 877248114 /nfs/dbraw/zinc/24/81/14/877248114.db2.gz WEHSXFNTFLGVGF-UHFFFAOYSA-N 0 0 407.829 4.244 20 5 HIBDRN COc1cc(CSCc2nc(CCc3ccccc3)no2)c([N+](=O)[O-])cc1F ZINC000464098563 877254923 /nfs/dbraw/zinc/25/49/23/877254923.db2.gz ZMCMFNRAQRNTIG-UHFFFAOYSA-N 0 0 403.435 4.344 20 5 HIBDRN CSc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)c2cc(F)ccc2F)c1 ZINC000464114704 877270327 /nfs/dbraw/zinc/27/03/27/877270327.db2.gz DCOAVJRMSZRGJX-SFHVURJKSA-N 0 0 403.410 4.442 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)cc([N+](=O)[O-])c1 ZINC000464117513 877271440 /nfs/dbraw/zinc/27/14/40/877271440.db2.gz XBOKKCJQKUAISO-UHFFFAOYSA-N 0 0 405.458 4.064 20 5 HIBDRN CCc1cnc(CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000464132937 877291093 /nfs/dbraw/zinc/29/10/93/877291093.db2.gz SNDNQONCTIIPJG-OKILXGFUSA-N 0 0 402.520 4.026 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000464136316 877297932 /nfs/dbraw/zinc/29/79/32/877297932.db2.gz AKVRULPZBPCGRC-UHFFFAOYSA-N 0 0 419.153 4.394 20 5 HIBDRN CCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccccc2n1 ZINC000464153477 877323053 /nfs/dbraw/zinc/32/30/53/877323053.db2.gz REWGPYAEHRWTOE-UHFFFAOYSA-N 0 0 400.232 4.142 20 5 HIBDRN CCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c2ccccc2n1 ZINC000464166604 877333656 /nfs/dbraw/zinc/33/36/56/877333656.db2.gz YOQAPELTYHRENU-UHFFFAOYSA-N 0 0 411.483 4.118 20 5 HIBDRN CC(C)(C)n1cnc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)n1 ZINC000464191325 877362012 /nfs/dbraw/zinc/36/20/12/877362012.db2.gz YMMHJPAIQFPFMF-UHFFFAOYSA-N 0 0 403.489 4.406 20 5 HIBDRN Cc1ccc([C@@H]2C[C@@H](C)CCN2S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)o1 ZINC000464205246 877375616 /nfs/dbraw/zinc/37/56/16/877375616.db2.gz HMCSXXJMOBQWIF-GUYCJALGSA-N 0 0 415.471 4.206 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c2ncccc12 ZINC000464210626 877380344 /nfs/dbraw/zinc/38/03/44/877380344.db2.gz GQXMENLLHXATNS-SXSDINLZSA-N 0 0 409.467 4.010 20 5 HIBDRN COc1ccc(C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)nc1 ZINC000464284002 877472062 /nfs/dbraw/zinc/47/20/62/877472062.db2.gz HQETWIUNHMDDKQ-UHFFFAOYSA-N 0 0 412.471 4.425 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000503258824 912239186 /nfs/dbraw/zinc/23/91/86/912239186.db2.gz SBLAQTGMPVKETD-AWEZNQCLSA-N 0 0 406.236 4.311 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)cc([N+](=O)[O-])c1 ZINC000464303352 877492554 /nfs/dbraw/zinc/49/25/54/877492554.db2.gz ZQPJZLCWWHHQTN-YJYMSZOUSA-N 0 0 400.406 4.134 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](CSc3ccccc3)C2)cc1OC ZINC000464330734 877522159 /nfs/dbraw/zinc/52/21/59/877522159.db2.gz TXBRPKWTQMDMPM-HNNXBMFYSA-N 0 0 416.499 4.257 20 5 HIBDRN Cc1ccccc1[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000464404623 877607595 /nfs/dbraw/zinc/60/75/95/877607595.db2.gz QOFIDGSDCPCOBE-CVEARBPZSA-N 0 0 411.483 4.018 20 5 HIBDRN CN([C@@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000464421834 877631042 /nfs/dbraw/zinc/63/10/42/877631042.db2.gz ODZSKPPSRWEDOO-AWEZNQCLSA-N 0 0 408.785 4.172 20 5 HIBDRN C[C@@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000464424555 877635020 /nfs/dbraw/zinc/63/50/20/877635020.db2.gz GHENZSCKOUAYRH-ACJLOTCBSA-N 0 0 415.446 4.054 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC1=CCCCCC1 ZINC000464434470 877647744 /nfs/dbraw/zinc/64/77/44/877647744.db2.gz UYHLDFCQVFKGLM-UHFFFAOYSA-N 0 0 406.504 4.260 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000464444871 877658903 /nfs/dbraw/zinc/65/89/03/877658903.db2.gz ZLDWODJEOPGHAT-SFHVURJKSA-N 0 0 414.481 4.180 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000464454785 877672914 /nfs/dbraw/zinc/67/29/14/877672914.db2.gz JJSJQICTVFVVBK-SNVBAGLBSA-N 0 0 409.284 4.108 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NCc3cc(OC)c(F)cc3[N+](=O)[O-])n2)cc1 ZINC000464493797 877711794 /nfs/dbraw/zinc/71/17/94/877711794.db2.gz NIMVJYWJHHYHOK-LBPRGKRZSA-N 0 0 400.410 4.206 20 5 HIBDRN COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000464495435 877714254 /nfs/dbraw/zinc/71/42/54/877714254.db2.gz JULGODURFMYTGA-UHFFFAOYSA-N 0 0 424.375 4.208 20 5 HIBDRN Cc1oc2ccccc2c1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000464563310 877780467 /nfs/dbraw/zinc/78/04/67/877780467.db2.gz IFZDQPOCTWGHEZ-KRWDZBQOSA-N 0 0 410.426 4.462 20 5 HIBDRN O=C([C@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464628615 877845900 /nfs/dbraw/zinc/84/59/00/877845900.db2.gz OOQNLGQLLBGKEF-IRXDYDNUSA-N 0 0 400.397 4.333 20 5 HIBDRN C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)Oc1ccc(Br)cc1 ZINC000464629953 877847893 /nfs/dbraw/zinc/84/78/93/877847893.db2.gz RHIRCCHXPMPQKH-NSHDSACASA-N 0 0 418.247 4.036 20 5 HIBDRN Cc1cc(C(=O)CCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)s1 ZINC000464638156 877855122 /nfs/dbraw/zinc/85/51/22/877855122.db2.gz LBXLIOMEQHHYBN-UHFFFAOYSA-N 0 0 416.499 4.306 20 5 HIBDRN O=C(c1c2c(nc3ccccc31)CCC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464638628 877856907 /nfs/dbraw/zinc/85/69/07/877856907.db2.gz RFVBLRJCWAVTSK-UHFFFAOYSA-N 0 0 417.465 4.315 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)c1 ZINC000464643096 877860663 /nfs/dbraw/zinc/86/06/63/877860663.db2.gz LGICNTVJAWJOLZ-SFHVURJKSA-N 0 0 414.527 4.489 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cnc(C(F)(F)F)cc2C)cc1[N+](=O)[O-] ZINC000464657676 877879010 /nfs/dbraw/zinc/87/90/10/877879010.db2.gz AVFPDOXFGZXOKP-UHFFFAOYSA-N 0 0 415.393 4.198 20 5 HIBDRN O=C(c1ccc(Br)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464664512 877884702 /nfs/dbraw/zinc/88/47/02/877884702.db2.gz QLZGLNSISQUNBZ-UHFFFAOYSA-N 0 0 405.248 4.041 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cnc(C(F)(F)F)cc2C)cc1SC ZINC000464665894 877886701 /nfs/dbraw/zinc/88/67/01/877886701.db2.gz RUNAJNCUUWCQEZ-UHFFFAOYSA-N 0 0 401.366 4.300 20 5 HIBDRN O=c1c(Cl)c(N2CCC[C@@H]2/C=C/c2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000503304845 912287999 /nfs/dbraw/zinc/28/79/99/912287999.db2.gz RBWQLTNMPGMSNC-KBOKABMXSA-N 0 0 422.872 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ZINC000464720995 877949298 /nfs/dbraw/zinc/94/92/98/877949298.db2.gz UHUGBTRPAQPHBI-UHFFFAOYSA-N 0 0 414.174 4.153 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000464723030 877954035 /nfs/dbraw/zinc/95/40/35/877954035.db2.gz LAOFQQREXNTKTO-UHFFFAOYSA-N 0 0 411.439 4.191 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(I)c(F)c1 ZINC000464724411 877956281 /nfs/dbraw/zinc/95/62/81/877956281.db2.gz RMIAMPOOVOAFAN-UHFFFAOYSA-N 0 0 414.174 4.153 20 5 HIBDRN Cc1cc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000464731681 877967465 /nfs/dbraw/zinc/96/74/65/877967465.db2.gz VYZSBYOKIIZMBB-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)N2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464757646 877997295 /nfs/dbraw/zinc/99/72/95/877997295.db2.gz OUPQYPWWWVGIOM-HOTGVXAUSA-N 0 0 415.515 4.045 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](CSc2ccccc2)C1 ZINC000464760944 878004433 /nfs/dbraw/zinc/00/44/33/878004433.db2.gz 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HIBDRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470126500 884388783 /nfs/dbraw/zinc/38/87/83/884388783.db2.gz QRPDMJNRMLASBH-UHFFFAOYSA-N 0 0 412.421 4.281 20 5 HIBDRN COc1cc(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc(OC)c1Br ZINC000470137102 884402233 /nfs/dbraw/zinc/40/22/33/884402233.db2.gz RGPYBXCIHYYHGM-UHFFFAOYSA-N 0 0 414.187 4.158 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000470140146 884406435 /nfs/dbraw/zinc/40/64/35/884406435.db2.gz CYUTVOYHWVXJIN-FQEVSTJZSA-N 0 0 422.416 4.105 20 5 HIBDRN CCOc1cc(CN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000470151946 884421786 /nfs/dbraw/zinc/42/17/86/884421786.db2.gz LBTKBCIZNIMEND-UHFFFAOYSA-N 0 0 413.352 4.398 20 5 HIBDRN C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2ccncc2)cc1 ZINC000470187488 884481217 /nfs/dbraw/zinc/48/12/17/884481217.db2.gz GZCGOMCJGCYMTI-MRXNPFEDSA-N 0 0 413.437 4.334 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000470218714 884546275 /nfs/dbraw/zinc/54/62/75/884546275.db2.gz GWRMEESLXNTDRU-UHFFFAOYSA-N 0 0 405.279 4.213 20 5 HIBDRN CC(C)OCc1c2ccccc2oc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470300892 884677783 /nfs/dbraw/zinc/67/77/83/884677783.db2.gz YHBLGLNGBSVSNM-UHFFFAOYSA-N 0 0 410.426 4.169 20 5 HIBDRN COc1ccc(CSCC(=O)NCC2(c3ccc(F)cc3)CCC2)cc1[N+](=O)[O-] ZINC000503884877 912850748 /nfs/dbraw/zinc/85/07/48/912850748.db2.gz MUCZSSJMAPHOBE-UHFFFAOYSA-N 0 0 418.490 4.214 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000470323412 884704649 /nfs/dbraw/zinc/70/46/49/884704649.db2.gz HOUDMFSGWVHQSH-UHFFFAOYSA-N 0 0 408.845 4.269 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CCO[C@]4(CCOC4)C3)cc2[N+](=O)[O-])cc1 ZINC000470331120 884715190 /nfs/dbraw/zinc/71/51/90/884715190.db2.gz UYEBQUSWKUCCCX-OAQYLSRUSA-N 0 0 400.500 4.046 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000470374407 884771068 /nfs/dbraw/zinc/77/10/68/884771068.db2.gz QAKOZLFAPGHXEC-NSHDSACASA-N 0 0 403.822 4.396 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000470379765 884778476 /nfs/dbraw/zinc/77/84/76/884778476.db2.gz PRDZLGUDWNSOHF-NSHDSACASA-N 0 0 413.257 4.497 20 5 HIBDRN O=C(Nc1ccccc1CCC(F)(F)F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470417340 884819896 /nfs/dbraw/zinc/81/98/96/884819896.db2.gz AYGOZKBCQUBSQA-UHFFFAOYSA-N 0 0 409.364 4.385 20 5 HIBDRN CC1CCN(c2cccc(NC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)c2)CC1 ZINC000470416591 884820038 /nfs/dbraw/zinc/82/00/38/884820038.db2.gz CJAURTMQXUEOFH-UHFFFAOYSA-N 0 0 410.474 4.126 20 5 HIBDRN C[C@@H](C(=O)N1CCN(c2cccc3cnccc32)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000470418046 884820740 /nfs/dbraw/zinc/82/07/40/884820740.db2.gz DZGLQQWANJLGKJ-HZPDHXFCSA-N 0 0 422.460 4.123 20 5 HIBDRN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000470420575 884823050 /nfs/dbraw/zinc/82/30/50/884823050.db2.gz XTIHWBBXJSORLU-QGZVFWFLSA-N 0 0 418.497 4.158 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)Cc1cccc(C)c1 ZINC000470479710 884869161 /nfs/dbraw/zinc/86/91/61/884869161.db2.gz JBFHEINBCCEORM-QGZVFWFLSA-N 0 0 402.516 4.129 20 5 HIBDRN CNC(=O)c1ccc(N(Cc2cccs2)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000470498754 884886067 /nfs/dbraw/zinc/88/60/67/884886067.db2.gz TYRPZJLINJGARB-UHFFFAOYSA-N 0 0 411.483 4.231 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CNc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000470540069 884944276 /nfs/dbraw/zinc/94/42/76/884944276.db2.gz QPSKSZZEOWMHEY-UHFFFAOYSA-N 0 0 403.236 4.495 20 5 HIBDRN Cc1c(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cccc1N1C(=O)CCNC1=O ZINC000503953205 912881431 /nfs/dbraw/zinc/88/14/31/912881431.db2.gz NPTZWUIFXLVXJV-SFHVURJKSA-N 0 0 408.458 4.184 20 5 HIBDRN CCC1(CC)CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[S@@]1=O ZINC000470593864 885013644 /nfs/dbraw/zinc/01/36/44/885013644.db2.gz BKNFYTMUJZSYLH-LJAQVGFWSA-N 0 0 416.499 4.150 20 5 HIBDRN CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470660842 885085197 /nfs/dbraw/zinc/08/51/97/885085197.db2.gz JODZSNHRZRCRCU-MRXNPFEDSA-N 0 0 408.458 4.077 20 5 HIBDRN O=C(NCC1CCN(c2ccccc2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000470688609 885123884 /nfs/dbraw/zinc/12/38/84/885123884.db2.gz MTEVNNSPFPRIIK-UHFFFAOYSA-N 0 0 418.291 4.004 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000470691252 885128063 /nfs/dbraw/zinc/12/80/63/885128063.db2.gz VVFIYNGAALCOSR-INIZCTEOSA-N 0 0 409.417 4.104 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000470696317 885134534 /nfs/dbraw/zinc/13/45/34/885134534.db2.gz GTCQXHNSPYSCFW-UHFFFAOYSA-N 0 0 419.153 4.437 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000470706018 885143204 /nfs/dbraw/zinc/14/32/04/885143204.db2.gz QTQAXKHNXDJDEJ-LLVKDONJSA-N 0 0 412.343 4.003 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)ccc1OCc1cscn1 ZINC000470711705 885150389 /nfs/dbraw/zinc/15/03/89/885150389.db2.gz ZZBBCWMTQXVZTD-UHFFFAOYSA-N 0 0 403.391 4.030 20 5 HIBDRN CSc1ccc(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000470712948 885152224 /nfs/dbraw/zinc/15/22/24/885152224.db2.gz AJVNGVWRRMPPIY-UHFFFAOYSA-N 0 0 400.378 4.488 20 5 HIBDRN COc1cc(C(=O)NC2(c3c(Cl)cccc3Cl)CC2)cc([N+](=O)[O-])c1OC ZINC000470749143 885213160 /nfs/dbraw/zinc/21/31/60/885213160.db2.gz KIEOLNYJCXPHDI-UHFFFAOYSA-N 0 0 411.241 4.338 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000470750185 885214124 /nfs/dbraw/zinc/21/41/24/885214124.db2.gz CHFOZOITMWHKDK-NSHDSACASA-N 0 0 423.263 4.256 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000470788742 885265412 /nfs/dbraw/zinc/26/54/12/885265412.db2.gz XSLJKAJNKRDVNR-CYBMUJFWSA-N 0 0 412.421 4.118 20 5 HIBDRN O=C(NCc1nnc(-c2ccccc2)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000470815539 885305532 /nfs/dbraw/zinc/30/55/32/885305532.db2.gz JLQYUBZQPNYNRW-UHFFFAOYSA-N 0 0 408.361 4.062 20 5 HIBDRN Cc1cc(N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)ncc1[N+](=O)[O-] ZINC000470865331 885355986 /nfs/dbraw/zinc/35/59/86/885355986.db2.gz FYLOSCJKUFCLQN-UHFFFAOYSA-N 0 0 422.460 4.343 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000470893359 885389478 /nfs/dbraw/zinc/38/94/78/885389478.db2.gz XYSGCFJVPCPOFZ-UHFFFAOYSA-N 0 0 421.291 4.464 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)CSc1ccccc1OC ZINC000470896558 885395816 /nfs/dbraw/zinc/39/58/16/885395816.db2.gz GXTMMEYPDNVPKD-AWEZNQCLSA-N 0 0 404.488 4.160 20 5 HIBDRN CC(C)(C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000504030106 912931137 /nfs/dbraw/zinc/93/11/37/912931137.db2.gz HIKYEPKWJCWDAT-UHFFFAOYSA-N 0 0 411.285 4.200 20 5 HIBDRN CO[C@]1(C)CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000470905817 885411337 /nfs/dbraw/zinc/41/13/37/885411337.db2.gz JQEKQTBHWPKMNV-PZJWPPBQSA-N 0 0 417.893 4.429 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N2CCC[C@H](OCc3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000470922316 885427746 /nfs/dbraw/zinc/42/77/46/885427746.db2.gz WFRANYVNNYRIRN-WMZOPIPTSA-N 0 0 415.465 4.051 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)CSCC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000470949664 885449362 /nfs/dbraw/zinc/44/93/62/885449362.db2.gz XILSACIIEICNFB-CYBMUJFWSA-N 0 0 406.891 4.350 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000471000579 885500369 /nfs/dbraw/zinc/50/03/69/885500369.db2.gz HQGZBEDWQKULPW-GFCCVEGCSA-N 0 0 404.875 4.142 20 5 HIBDRN Cc1nc(NC(=O)Cc2csc3ccc(Br)cc23)ccc1[N+](=O)[O-] ZINC000471044942 885557377 /nfs/dbraw/zinc/55/73/77/885557377.db2.gz VXQNFFUVVXGSMK-UHFFFAOYSA-N 0 0 406.261 4.457 20 5 HIBDRN COc1ccc(C(=O)Nc2cccc(OCCNc3ccc([N+](=O)[O-])c(C)n3)c2)cc1 ZINC000471066315 885583846 /nfs/dbraw/zinc/58/38/46/885583846.db2.gz OLUZQLQLMBJWLC-UHFFFAOYSA-N 0 0 422.441 4.050 20 5 HIBDRN Cc1ccc([C@@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccn2)cc1 ZINC000471076270 885600009 /nfs/dbraw/zinc/60/00/09/885600009.db2.gz MRHPTGBTRGUZJR-OAQYLSRUSA-N 0 0 401.426 4.227 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Nc3cnn(C)c3)c2)cc1SC ZINC000471109897 885645030 /nfs/dbraw/zinc/64/50/30/885645030.db2.gz JCSNGTBPJIXISC-UHFFFAOYSA-N 0 0 413.459 4.055 20 5 HIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504050966 912957576 /nfs/dbraw/zinc/95/75/76/912957576.db2.gz SLOHNMZQNXQAJX-UHFFFAOYSA-N 0 0 403.649 4.190 20 5 HIBDRN COc1ccc(CNC(=O)NC2(c3c(Cl)cccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000471179923 885744233 /nfs/dbraw/zinc/74/42/33/885744233.db2.gz XFCKQXGAQWFFGV-UHFFFAOYSA-N 0 0 410.257 4.399 20 5 HIBDRN COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000471308893 885897712 /nfs/dbraw/zinc/89/77/12/885897712.db2.gz BMPVLLAGOZNESV-KRWDZBQOSA-N 0 0 410.392 4.381 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)NCC)ccc1C ZINC000504080216 912986588 /nfs/dbraw/zinc/98/65/88/912986588.db2.gz YDAMQCMOMSVIEU-UHFFFAOYSA-N 0 0 401.488 4.407 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)N(C)C)c1C ZINC000471327579 885922399 /nfs/dbraw/zinc/92/23/99/885922399.db2.gz JHZJWWCJWXUXQX-UHFFFAOYSA-N 0 0 402.476 4.361 20 5 HIBDRN CCc1ccc(C(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)cc1[N+](=O)[O-] ZINC000471347185 885959124 /nfs/dbraw/zinc/95/91/24/885959124.db2.gz RKSKGJIXXBPURW-UHFFFAOYSA-N 0 0 407.426 4.283 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000471399754 886049920 /nfs/dbraw/zinc/04/99/20/886049920.db2.gz QYUHLCOHJRNNIT-UHFFFAOYSA-N 0 0 405.458 4.455 20 5 HIBDRN CCCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC)c1 ZINC000504093152 913004470 /nfs/dbraw/zinc/00/44/70/913004470.db2.gz PPFZRXANSIGTMI-UHFFFAOYSA-N 0 0 401.488 4.489 20 5 HIBDRN CCc1ccc(C(=O)NCc2cccnc2Oc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000471428190 886084589 /nfs/dbraw/zinc/08/45/89/886084589.db2.gz RAGZMQLTPALTGO-UHFFFAOYSA-N 0 0 407.426 4.283 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000471449538 886121618 /nfs/dbraw/zinc/12/16/18/886121618.db2.gz FLYMIJHDPLHEPU-UHFFFAOYSA-N 0 0 405.332 4.370 20 5 HIBDRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000471457604 886133543 /nfs/dbraw/zinc/13/35/43/886133543.db2.gz FRKHIZDIGBTGQM-VQIMIIECSA-N 0 0 404.470 4.089 20 5 HIBDRN O=[N+]([O-])c1ccc(OC[C@@H](O)COc2c(Cl)cccc2Cl)c2cccnc21 ZINC000471473735 886167696 /nfs/dbraw/zinc/16/76/96/886167696.db2.gz ZJHUGQWGLBDVNF-LLVKDONJSA-N 0 0 409.225 4.269 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1[N+](=O)[O-] ZINC000471527384 886231333 /nfs/dbraw/zinc/23/13/33/886231333.db2.gz BZOLBEDDIZKZGX-UHFFFAOYSA-N 0 0 410.405 4.392 20 5 HIBDRN C[C@H](NC(=O)Nc1nnc(Cc2cccc(F)c2)s1)c1cccc([N+](=O)[O-])c1 ZINC000504115409 913021626 /nfs/dbraw/zinc/02/16/26/913021626.db2.gz QGVBZYZOCBNVFA-NSHDSACASA-N 0 0 401.423 4.059 20 5 HIBDRN COc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc(-n2cccn2)c1 ZINC000471537518 886243084 /nfs/dbraw/zinc/24/30/84/886243084.db2.gz BBKQNFLKOWYBNQ-UHFFFAOYSA-N 0 0 421.438 4.165 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)OC(C)C ZINC000471548876 886257785 /nfs/dbraw/zinc/25/77/85/886257785.db2.gz BFOCNPMGGHVHPV-SFHVURJKSA-N 0 0 404.488 4.221 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000471552216 886260960 /nfs/dbraw/zinc/26/09/60/886260960.db2.gz QZIODQIIRKSEJO-WMZOPIPTSA-N 0 0 418.490 4.428 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000471552212 886260980 /nfs/dbraw/zinc/26/09/80/886260980.db2.gz QZIODQIIRKSEJO-FUHWJXTLSA-N 0 0 418.490 4.428 20 5 HIBDRN Cn1cc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000471552514 886261107 /nfs/dbraw/zinc/26/11/07/886261107.db2.gz SRFDKGCNJGQOKT-AEFFLSMTSA-N 0 0 408.433 4.201 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC1(CCOCc2ccccc2)CC1 ZINC000471561739 886270048 /nfs/dbraw/zinc/27/00/48/886270048.db2.gz CHDFEFHHBRWUEO-UHFFFAOYSA-N 0 0 402.878 4.294 20 5 HIBDRN O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000504143803 913042115 /nfs/dbraw/zinc/04/21/15/913042115.db2.gz XIWORSVIJWTYFF-UHFFFAOYSA-N 0 0 408.748 4.288 20 5 HIBDRN COC(=O)c1ccc(C)c(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000471785135 886518436 /nfs/dbraw/zinc/51/84/36/886518436.db2.gz CXFDSSVWBXDMQE-UHFFFAOYSA-N 0 0 422.387 4.307 20 5 HIBDRN CCc1ccc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1[N+](=O)[O-] ZINC000471795508 886529742 /nfs/dbraw/zinc/52/97/42/886529742.db2.gz ZTKQMVUGSHQCCK-UHFFFAOYSA-N 0 0 410.449 4.391 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1nn([C@H](C)c2ccccc2)cc1C ZINC000471833284 886587534 /nfs/dbraw/zinc/58/75/34/886587534.db2.gz BUQFZBQSAAFCEL-OAHLLOKOSA-N 0 0 409.446 4.039 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000471877837 886657577 /nfs/dbraw/zinc/65/75/77/886657577.db2.gz UPPLOCIKEJXMSF-GOSISDBHSA-N 0 0 417.874 4.020 20 5 HIBDRN CC(C)(C)N(Cc1cccc(F)c1)C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000471881177 886663035 /nfs/dbraw/zinc/66/30/35/886663035.db2.gz CTRRELDEGLNSIU-UHFFFAOYSA-N 0 0 411.433 4.488 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CCC[C@H]3[C@@H]3CCCCC3=O)cc2[N+](=O)[O-])CC1 ZINC000471904178 886686293 /nfs/dbraw/zinc/68/62/93/886686293.db2.gz ALNPSCMBOKTZRJ-OALUTQOASA-N 0 0 413.518 4.195 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000471940057 886738546 /nfs/dbraw/zinc/73/85/46/886738546.db2.gz NBCUQKVZCSWTGH-LPHOPBHVSA-N 0 0 402.882 4.432 20 5 HIBDRN CCOc1cc(C(=O)N2CC=C(c3c(F)cccc3F)CC2)c([N+](=O)[O-])cc1OC ZINC000472016999 886840188 /nfs/dbraw/zinc/84/01/88/886840188.db2.gz MKFHELZRZSKDLF-UHFFFAOYSA-N 0 0 418.396 4.210 20 5 HIBDRN O=C(Nc1ccccc1F)Nc1cccc2c1CCCN2CCn1cc([N+](=O)[O-])cn1 ZINC000472243832 887053515 /nfs/dbraw/zinc/05/35/15/887053515.db2.gz XMXOOMWEBRNGAM-UHFFFAOYSA-N 0 0 424.436 4.027 20 5 HIBDRN O=C(c1c[nH]c2ncc(Br)cc12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000472337186 887173109 /nfs/dbraw/zinc/17/31/09/887173109.db2.gz IUUZLAPHUZGVAR-UHFFFAOYSA-N 0 0 415.247 4.038 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1[N+](=O)[O-] ZINC000472380214 887222155 /nfs/dbraw/zinc/22/21/55/887222155.db2.gz JGSNNYAXYBRCQI-LLVKDONJSA-N 0 0 416.434 4.305 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NCc3ncc(C(C)(C)C)o3)cc2[N+](=O)[O-])CC1 ZINC000472384445 887227080 /nfs/dbraw/zinc/22/70/80/887227080.db2.gz OBFHOPSEYYOBOT-UHFFFAOYSA-N 0 0 400.479 4.047 20 5 HIBDRN Cc1cc(-c2noc([C@@H](C)NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)ccc1F ZINC000472392147 887238610 /nfs/dbraw/zinc/23/86/10/887238610.db2.gz VBWOKJHSZPRNJQ-LLVKDONJSA-N 0 0 410.361 4.330 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)n2)cc1 ZINC000472429687 887275990 /nfs/dbraw/zinc/27/59/90/887275990.db2.gz RHIQOKFZFAEUFT-CQSZACIVSA-N 0 0 421.457 4.036 20 5 HIBDRN Cc1nc2cc(C(=O)NCc3ccccc3[N+](=O)[O-])ccc2n1Cc1ccsc1 ZINC000472448617 887299719 /nfs/dbraw/zinc/29/97/19/887299719.db2.gz OAODWMMUYFMLHG-UHFFFAOYSA-N 0 0 406.467 4.293 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000472464630 887324336 /nfs/dbraw/zinc/32/43/36/887324336.db2.gz IOPILFIELZPEFZ-SECBINFHSA-N 0 0 413.381 4.313 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)C(C)(C)COC)cc1OC ZINC000472498876 887367036 /nfs/dbraw/zinc/36/70/36/887367036.db2.gz LKQHUHLNKMPGIX-UHFFFAOYSA-N 0 0 416.474 4.070 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CC[C@]3(C2)OCc2ccccc23)nc1OCc1ccccc1 ZINC000472504299 887371874 /nfs/dbraw/zinc/37/18/74/887371874.db2.gz SSJXQORFIRVTGU-HSZRJFAPSA-N 0 0 403.438 4.205 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000504284409 913139927 /nfs/dbraw/zinc/13/99/27/913139927.db2.gz OWCFWOUVDQMDEK-UHFFFAOYSA-N 0 0 414.727 4.318 20 5 HIBDRN COc1c(F)cc(F)cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000472520948 887391733 /nfs/dbraw/zinc/39/17/33/887391733.db2.gz WWXQMELHHLKZLY-UHFFFAOYSA-N 0 0 419.306 4.341 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2SC(C)C)cc1OC ZINC000472533756 887407912 /nfs/dbraw/zinc/40/79/12/887407912.db2.gz AFVUQKTXWYZZKR-UHFFFAOYSA-N 0 0 420.487 4.381 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCc2c(F)ccc(F)c21 ZINC000472540654 887416595 /nfs/dbraw/zinc/41/65/95/887416595.db2.gz UULUFIZRFVRRIJ-UHFFFAOYSA-N 0 0 411.202 4.157 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000504292999 913146236 /nfs/dbraw/zinc/14/62/36/913146236.db2.gz IAPUSEIRYLCKCX-OAHLLOKOSA-N 0 0 405.410 4.139 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000472565126 887452165 /nfs/dbraw/zinc/45/21/65/887452165.db2.gz RVNDXIOEKPLTKX-LLVKDONJSA-N 0 0 416.434 4.305 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000472593475 887468813 /nfs/dbraw/zinc/46/88/13/887468813.db2.gz XCDPVRARVIGMSD-IBGZPJMESA-N 0 0 404.488 4.051 20 5 HIBDRN CC(C)C[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000472612871 887482203 /nfs/dbraw/zinc/48/22/03/887482203.db2.gz MRNBVYPDSRUGEE-QGZVFWFLSA-N 0 0 407.829 4.229 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)C2)c1 ZINC000504300115 913150912 /nfs/dbraw/zinc/15/09/12/913150912.db2.gz UICCHBKPTHYGHE-ROUUACIJSA-N 0 0 421.497 4.042 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1Oc1ccccc1 ZINC000472628177 887493635 /nfs/dbraw/zinc/49/36/35/887493635.db2.gz HFWVZXVSRSUTOJ-AWEZNQCLSA-N 0 0 423.400 4.342 20 5 HIBDRN CCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000472638564 887502926 /nfs/dbraw/zinc/50/29/26/887502926.db2.gz ZHUKDRZKOWFVAP-CQSZACIVSA-N 0 0 402.422 4.281 20 5 HIBDRN CC(C)(C)c1ccc(C(C)(C)CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000472705596 887558178 /nfs/dbraw/zinc/55/81/78/887558178.db2.gz OWWWJVBVGFKHIY-UHFFFAOYSA-N 0 0 415.465 4.064 20 5 HIBDRN COc1cc(C(=O)Nc2sc(C)nc2CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000472723637 887570366 /nfs/dbraw/zinc/57/03/66/887570366.db2.gz JXBOTZYOAMKZDD-UHFFFAOYSA-N 0 0 415.418 4.421 20 5 HIBDRN Cn1c(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000472952297 887800874 /nfs/dbraw/zinc/80/08/74/887800874.db2.gz LFXHYVGDQWRISG-UHFFFAOYSA-N 0 0 412.273 4.062 20 5 HIBDRN CN(CCCCO)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000472987707 887828377 /nfs/dbraw/zinc/82/83/77/887828377.db2.gz SQPYPJVMZMSJJY-UHFFFAOYSA-N 0 0 417.512 4.200 20 5 HIBDRN Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000473060302 887881365 /nfs/dbraw/zinc/88/13/65/887881365.db2.gz UPPSAKAXNMIYCQ-UHFFFAOYSA-N 0 0 408.380 4.276 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000504354219 913189141 /nfs/dbraw/zinc/18/91/41/913189141.db2.gz WDTVCASTLCDEES-DMKPSLHHSA-N 0 0 413.518 4.128 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2SC(C)C)cc1[N+](=O)[O-] ZINC000473221048 887994166 /nfs/dbraw/zinc/99/41/66/887994166.db2.gz MQXSVCACRQEWOG-CQSZACIVSA-N 0 0 401.488 4.220 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccncc2)cc1 ZINC000473294181 888047571 /nfs/dbraw/zinc/04/75/71/888047571.db2.gz SMZCOYLAXLTLHP-ZDUSSCGKSA-N 0 0 424.844 4.126 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H](c3ncc[nH]3)C(C)C)cc2[N+](=O)[O-])n1 ZINC000473299826 888051300 /nfs/dbraw/zinc/05/13/00/888051300.db2.gz KUHGFQYKYSMSQK-HNNXBMFYSA-N 0 0 417.516 4.361 20 5 HIBDRN Cc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1I ZINC000504382079 913206290 /nfs/dbraw/zinc/20/62/90/913206290.db2.gz QGHDJMHPKIFJSZ-LLVKDONJSA-N 0 0 422.222 4.099 20 5 HIBDRN Cc1c(NC(=O)C(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000473318084 888061715 /nfs/dbraw/zinc/06/17/15/888061715.db2.gz FUUCNRWVBQFQEF-LBPRGKRZSA-N 0 0 423.391 4.171 20 5 HIBDRN C[C@H]1CCC[C@@H](CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000504388451 913212395 /nfs/dbraw/zinc/21/23/95/913212395.db2.gz NYDTZPNEXWPCOL-QWHCGFSZSA-N 0 0 423.516 4.039 20 5 HIBDRN O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000473410262 888130554 /nfs/dbraw/zinc/13/05/54/888130554.db2.gz DGFZWRUNCUKYLU-MRXNPFEDSA-N 0 0 421.457 4.076 20 5 HIBDRN NC(=O)c1cc(Oc2cccc(Oc3nc4ccccc4cc3[N+](=O)[O-])c2)ccn1 ZINC000473506084 888234065 /nfs/dbraw/zinc/23/40/65/888234065.db2.gz FDMSUBLSWSJDJP-UHFFFAOYSA-N 0 0 402.366 4.222 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000473507871 888235221 /nfs/dbraw/zinc/23/52/21/888235221.db2.gz KIMABMKFXHPJBQ-UHFFFAOYSA-N 0 0 400.442 4.312 20 5 HIBDRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000473512669 888242631 /nfs/dbraw/zinc/24/26/31/888242631.db2.gz KWRPMGHPPVYPNY-SFHVURJKSA-N 0 0 406.442 4.068 20 5 HIBDRN CSc1nnc(CCCNc2nc3ccccc3cc2[N+](=O)[O-])n1CC(C)C ZINC000473513311 888243799 /nfs/dbraw/zinc/24/37/99/888243799.db2.gz MHGYLTXTYNNHKO-UHFFFAOYSA-N 0 0 400.508 4.157 20 5 HIBDRN COc1ccc(-c2nc(Sc3nc4ccccc4cc3[N+](=O)[O-])n[nH]2)c(OC)c1 ZINC000473518344 888250097 /nfs/dbraw/zinc/25/00/97/888250097.db2.gz DFEQVULNRVNYNH-UHFFFAOYSA-N 0 0 409.427 4.097 20 5 HIBDRN CC(C)(C)c1nc(CN2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)cs1 ZINC000473520674 888255590 /nfs/dbraw/zinc/25/55/90/888255590.db2.gz NUACRZYQRUAHOF-UHFFFAOYSA-N 0 0 411.531 4.219 20 5 HIBDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000473532370 888269943 /nfs/dbraw/zinc/26/99/43/888269943.db2.gz PXEUGXKXQJRPNJ-BIXPNRAVSA-N 0 0 402.497 4.380 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@]2(CCCOC2)C1 ZINC000473561721 888301120 /nfs/dbraw/zinc/30/11/20/888301120.db2.gz OTCJMZMILWVXJF-HSZRJFAPSA-N 0 0 409.486 4.240 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCC[C@](C)(O)CC3)cc2[N+](=O)[O-])cc1 ZINC000473595179 888339138 /nfs/dbraw/zinc/33/91/38/888339138.db2.gz WOOOPLIWWOQFIY-NRFANRHFSA-N 0 0 400.500 4.432 20 5 HIBDRN CCOc1cc(NC(=O)N2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])cc1OCC ZINC000473762150 888557239 /nfs/dbraw/zinc/55/72/39/888557239.db2.gz LEJOLRRKCFGXJL-KRWDZBQOSA-N 0 0 421.475 4.059 20 5 HIBDRN COc1cc(N[C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)C2)cc(OC)c1 ZINC000473784138 888592929 /nfs/dbraw/zinc/59/29/29/888592929.db2.gz GEZYVLSQJVMYNS-INIZCTEOSA-N 0 0 414.462 4.029 20 5 HIBDRN Cc1c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cccc1C(F)(F)F ZINC000473827473 888659904 /nfs/dbraw/zinc/65/99/04/888659904.db2.gz UWXKJXTYLASCLF-UHFFFAOYSA-N 0 0 408.380 4.276 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473933920 888812973 /nfs/dbraw/zinc/81/29/73/888812973.db2.gz UBANQFKYRLWFTF-AWEZNQCLSA-N 0 0 423.256 4.137 20 5 HIBDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000474121482 888941330 /nfs/dbraw/zinc/94/13/30/888941330.db2.gz INSWZINWDJPVLX-OASPWFOLSA-N 0 0 410.293 4.335 20 5 HIBDRN O=C(CCCc1cccc(C(F)(F)F)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000474122248 888941990 /nfs/dbraw/zinc/94/19/90/888941990.db2.gz GVBPBHAZHRLDER-INIZCTEOSA-N 0 0 422.407 4.044 20 5 HIBDRN CC(C)[C@@](C)(O)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000474126677 888947914 /nfs/dbraw/zinc/94/79/14/888947914.db2.gz SHOLPOGVBBKHEO-LJQANCHMSA-N 0 0 410.829 4.203 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)N[C@H](CC)c3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000474133553 888952420 /nfs/dbraw/zinc/95/24/20/888952420.db2.gz GQVSKSZBPSEIQE-MRXNPFEDSA-N 0 0 418.519 4.038 20 5 HIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccc(Cl)cc1Br ZINC000504508094 913298314 /nfs/dbraw/zinc/29/83/14/913298314.db2.gz AZOAJGMNWSOUSK-UHFFFAOYSA-N 0 0 420.650 4.283 20 5 HIBDRN Cc1ccc(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Br ZINC000474227066 889068084 /nfs/dbraw/zinc/06/80/84/889068084.db2.gz BSIDUGVDLMINBU-UHFFFAOYSA-N 0 0 403.276 4.399 20 5 HIBDRN CCOc1ccc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000474227428 889068368 /nfs/dbraw/zinc/06/83/68/889068368.db2.gz CMLZTAYAPUQULM-DJJJIMSYSA-N 0 0 404.850 4.249 20 5 HIBDRN COc1csc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000474284491 889150040 /nfs/dbraw/zinc/15/00/40/889150040.db2.gz RHYFCOMLLDUIHA-UHFFFAOYSA-N 0 0 410.411 4.363 20 5 HIBDRN CCOc1ccc(C(=O)CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1F ZINC000474355612 889232830 /nfs/dbraw/zinc/23/28/30/889232830.db2.gz MHBKWTGZDQVVLQ-UHFFFAOYSA-N 0 0 414.433 4.287 20 5 HIBDRN COc1c(C(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)cccc1[N+](=O)[O-] ZINC000474421421 889285255 /nfs/dbraw/zinc/28/52/55/889285255.db2.gz MFZIQJWTACLJBY-UHFFFAOYSA-N 0 0 402.410 4.479 20 5 HIBDRN COc1c(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000474430950 889296134 /nfs/dbraw/zinc/29/61/34/889296134.db2.gz XSKNINQZYHXFQG-UHFFFAOYSA-N 0 0 406.398 4.500 20 5 HIBDRN C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000474460678 889325385 /nfs/dbraw/zinc/32/53/85/889325385.db2.gz SZGMHZUKHCTQGU-CYBMUJFWSA-N 0 0 421.295 4.135 20 5 HIBDRN CC[C@@H](NC(=O)N[C@H](C)c1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000474490615 889351895 /nfs/dbraw/zinc/35/18/95/889351895.db2.gz HWQBTUSBFKKWLU-IAQYHMDHSA-N 0 0 407.268 4.264 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000474507180 889369541 /nfs/dbraw/zinc/36/95/41/889369541.db2.gz CXBQGJCASOKKTI-RYGJVYDSSA-N 0 0 405.458 4.005 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000474519488 889387616 /nfs/dbraw/zinc/38/76/16/889387616.db2.gz XDOQTKSHDNHKFL-HNNXBMFYSA-N 0 0 409.446 4.326 20 5 HIBDRN CC(C)CCSc1ccc(-c2nc(CC(=O)NC3CCCC3)no2)cc1[N+](=O)[O-] ZINC000504590625 913349526 /nfs/dbraw/zinc/34/95/26/913349526.db2.gz FESREVQKGJOZCC-UHFFFAOYSA-N 0 0 418.519 4.384 20 5 HIBDRN C/C=C/C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000474619098 889481929 /nfs/dbraw/zinc/48/19/29/889481929.db2.gz DTOGQQJFYOQUHX-BAABZTOOSA-N 0 0 406.891 4.456 20 5 HIBDRN C/C=C\C[C@H](CO)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000474619810 889483675 /nfs/dbraw/zinc/48/36/75/889483675.db2.gz MUWDEURSONISKB-ABCZVMIZSA-N 0 0 420.849 4.106 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000474644897 889505420 /nfs/dbraw/zinc/50/54/20/889505420.db2.gz DGKNNTXFORNINN-CQSZACIVSA-N 0 0 418.664 4.088 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc3c(c2)O[C@](C)(CC)O3)c([N+](=O)[O-])cc1OC ZINC000474647748 889508765 /nfs/dbraw/zinc/50/87/65/889508765.db2.gz NUJSDHPWNYGDPU-HXUWFJFHSA-N 0 0 402.403 4.152 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc([N+](=O)[O-])c1 ZINC000474730896 889586635 /nfs/dbraw/zinc/58/66/35/889586635.db2.gz IUCPROHDLFCDGE-HNNXBMFYSA-N 0 0 419.437 4.325 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000474811080 889663948 /nfs/dbraw/zinc/66/39/48/889663948.db2.gz UGJFVPYDCBDZRM-MRXNPFEDSA-N 0 0 402.520 4.032 20 5 HIBDRN CC(C)CC(CC(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000504618813 913372697 /nfs/dbraw/zinc/37/26/97/913372697.db2.gz FAQZYWHYEJGYFS-UHFFFAOYSA-N 0 0 418.275 4.390 20 5 HIBDRN CCN(CC(C)(C)O)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000474871849 889725963 /nfs/dbraw/zinc/72/59/63/889725963.db2.gz YGRRJPKGIKWDNI-UHFFFAOYSA-N 0 0 405.882 4.093 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474892010 889748796 /nfs/dbraw/zinc/74/87/96/889748796.db2.gz HEHCGXMPJUEMIH-KRWDZBQOSA-N 0 0 419.359 4.309 20 5 HIBDRN COc1c(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cccc1[N+](=O)[O-] ZINC000474897240 889755011 /nfs/dbraw/zinc/75/50/11/889755011.db2.gz BQSLYKAEKDECNS-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474899141 889758673 /nfs/dbraw/zinc/75/86/73/889758673.db2.gz YVSTYZYRMDICKY-SFHVURJKSA-N 0 0 419.359 4.309 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CN=NC2=O)c1 ZINC000474916943 889777838 /nfs/dbraw/zinc/77/78/38/889777838.db2.gz WBYXFGCMSCTYIE-UHFFFAOYSA-N 0 0 413.459 4.026 20 5 HIBDRN CCN(c1ccc(-c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1)S(C)(=O)=O ZINC000474927572 889785318 /nfs/dbraw/zinc/78/53/18/889785318.db2.gz FNICFYVJILWXGO-UHFFFAOYSA-N 0 0 403.485 4.171 20 5 HIBDRN CCOC1CC(CCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000474934825 889792895 /nfs/dbraw/zinc/79/28/95/889792895.db2.gz QJSJOTIQVISTTF-HJOIGYKYSA-N 0 0 412.490 4.098 20 5 HIBDRN O=C(Cc1noc(/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1)NC1CCCC1 ZINC000504639939 913389321 /nfs/dbraw/zinc/38/93/21/913389321.db2.gz WYDJIEYHIHQPBY-ZRDIBKRKSA-N 0 0 424.482 4.478 20 5 HIBDRN COc1cccc(Cl)c1-c1noc(C)c1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000475023255 889875385 /nfs/dbraw/zinc/87/53/85/889875385.db2.gz NRORJPMUZJWDCS-UHFFFAOYSA-N 0 0 401.806 4.150 20 5 HIBDRN COc1cc(C(=O)NC2(C)CCOCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000504648077 913392123 /nfs/dbraw/zinc/39/21/23/913392123.db2.gz VAMNOHXFJZICLX-UHFFFAOYSA-N 0 0 420.849 4.348 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000475071766 889917634 /nfs/dbraw/zinc/91/76/34/889917634.db2.gz SFQIIBLAKORHTG-CYBMUJFWSA-N 0 0 412.248 4.440 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000475171577 890037045 /nfs/dbraw/zinc/03/70/45/890037045.db2.gz PPIUUCJELVKNER-GOSISDBHSA-N 0 0 417.425 4.289 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000475171578 890038301 /nfs/dbraw/zinc/03/83/01/890038301.db2.gz PPIUUCJELVKNER-SFHVURJKSA-N 0 0 417.425 4.289 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)c2ccc(F)cc2)cc1 ZINC000475174637 890041807 /nfs/dbraw/zinc/04/18/07/890041807.db2.gz PIRUMKJEHYRHKE-FQEVSTJZSA-N 0 0 410.401 4.271 20 5 HIBDRN Cc1ccc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)nc1 ZINC000475192853 890062312 /nfs/dbraw/zinc/06/23/12/890062312.db2.gz HCEFXBBUINDTSE-UHFFFAOYSA-N 0 0 423.395 4.108 20 5 HIBDRN O=C(NCc1ccc(Cn2ccnc2)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475200934 890069337 /nfs/dbraw/zinc/06/93/37/890069337.db2.gz CHVNHCDDYRGYPM-UHFFFAOYSA-N 0 0 419.363 4.180 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000475199548 890069617 /nfs/dbraw/zinc/06/96/17/890069617.db2.gz WFIGDRUXGARCNX-CQSZACIVSA-N 0 0 419.363 4.442 20 5 HIBDRN O=C(NCc1ccc(-n2cccn2)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475202710 890071980 /nfs/dbraw/zinc/07/19/80/890071980.db2.gz AVKCCIFLFJKFAG-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN O=C(NCc1ccc2c(c1)OCCCO2)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475208769 890077973 /nfs/dbraw/zinc/07/79/73/890077973.db2.gz RCMGQJWVJHIVGZ-UHFFFAOYSA-N 0 0 411.336 4.097 20 5 HIBDRN COc1c(C)cnc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1C ZINC000475218864 890088011 /nfs/dbraw/zinc/08/80/11/890088011.db2.gz ZZZGUUBCVHDPPA-UHFFFAOYSA-N 0 0 412.368 4.298 20 5 HIBDRN CC(=O)N1CCc2cc(NC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)ccc21 ZINC000475219039 890088984 /nfs/dbraw/zinc/08/89/84/890088984.db2.gz HSFPTIKKMDWTID-UHFFFAOYSA-N 0 0 408.336 4.167 20 5 HIBDRN COc1cc(CN2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475279407 890175613 /nfs/dbraw/zinc/17/56/13/890175613.db2.gz NPEBWALJBSVKGI-KOLCDFICSA-N 0 0 416.318 4.317 20 5 HIBDRN C[C@@H]1OCC[C@@]12CN(Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CCO2 ZINC000475293391 890198174 /nfs/dbraw/zinc/19/81/74/890198174.db2.gz WJHXVBIXYMVXPB-YCRPNKLZSA-N 0 0 418.877 4.420 20 5 HIBDRN Cc1nc(NC(=O)CCCCOc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000475319722 890237494 /nfs/dbraw/zinc/23/74/94/890237494.db2.gz UFFHZUFYIDCCII-UHFFFAOYSA-N 0 0 408.252 4.249 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000475370291 890300011 /nfs/dbraw/zinc/30/00/11/890300011.db2.gz SOUQCKPETYGVPY-NXEZZACHSA-N 0 0 412.265 4.105 20 5 HIBDRN CC(C)Sc1ccc([C@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000504710443 913443128 /nfs/dbraw/zinc/44/31/28/913443128.db2.gz BMKUIVLTILSKRQ-ZDUSSCGKSA-N 0 0 402.472 4.358 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000475502545 890414665 /nfs/dbraw/zinc/41/46/65/890414665.db2.gz LLONYICCXYIXPV-UHFFFAOYSA-N 0 0 400.500 4.021 20 5 HIBDRN CCOc1cc(N2CCN(Cc3cnc(-c4ccco4)s3)CC2)ccc1[N+](=O)[O-] ZINC000475511191 890429296 /nfs/dbraw/zinc/42/92/96/890429296.db2.gz SKLBIAYTXYFCDV-UHFFFAOYSA-N 0 0 414.487 4.032 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000475566753 890498207 /nfs/dbraw/zinc/49/82/07/890498207.db2.gz AICJXWTWZFHFLT-KRWDZBQOSA-N 0 0 420.473 4.408 20 5 HIBDRN COc1c(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000475594545 890519411 /nfs/dbraw/zinc/51/94/11/890519411.db2.gz GECQLPOKBJLWSU-INIZCTEOSA-N 0 0 411.241 4.124 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000475637000 890577209 /nfs/dbraw/zinc/57/72/09/890577209.db2.gz JZHPJHXUGNFAHR-UHFFFAOYSA-N 0 0 411.384 4.296 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000475645778 890588080 /nfs/dbraw/zinc/58/80/80/890588080.db2.gz OUQJTHXFBZVOMH-APWZRJJASA-N 0 0 402.882 4.432 20 5 HIBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 ZINC000475652782 890598002 /nfs/dbraw/zinc/59/80/02/890598002.db2.gz GPDUSPGRUYRTAB-RBUKOAKNSA-N 0 0 416.547 4.203 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000475681246 890621991 /nfs/dbraw/zinc/62/19/91/890621991.db2.gz ZLENXQVHIFFVKC-UHFFFAOYSA-N 0 0 409.446 4.352 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(N3CCO[C@@H](c4ccc(F)cc4Cl)C3)n2)cc1 ZINC000475725463 890663373 /nfs/dbraw/zinc/66/33/73/890663373.db2.gz YVXVSZBQESTDKY-MRXNPFEDSA-N 0 0 404.785 4.015 20 5 HIBDRN Cc1c(Br)c(N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000475726006 890663391 /nfs/dbraw/zinc/66/33/91/890663391.db2.gz GOXPGBARDTXGGN-MRXNPFEDSA-N 0 0 420.242 4.135 20 5 HIBDRN O=[N+]([O-])c1ccc(NCCc2ccc(OCC(F)(F)F)nc2)cc1OC(F)F ZINC000475730715 890668797 /nfs/dbraw/zinc/66/87/97/890668797.db2.gz BSBPKEFOXWVLCO-UHFFFAOYSA-N 0 0 407.295 4.187 20 5 HIBDRN Cc1nn(C)c(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)c1[N+](=O)[O-] ZINC000475783248 890725378 /nfs/dbraw/zinc/72/53/78/890725378.db2.gz YAMXRIIJRFDDRI-UHFFFAOYSA-N 0 0 406.229 4.258 20 5 HIBDRN CCC1(CC)CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000475788778 890729413 /nfs/dbraw/zinc/72/94/13/890729413.db2.gz NOKKQEYHYPWVJL-HNNXBMFYSA-N 0 0 407.536 4.126 20 5 HIBDRN CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000475828334 890762354 /nfs/dbraw/zinc/76/23/54/890762354.db2.gz FSNZEVCZWPJPSH-UHFFFAOYSA-N 0 0 403.243 4.295 20 5 HIBDRN CN(c1ccc2cc[nH]c2c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000475835770 890769313 /nfs/dbraw/zinc/76/93/13/890769313.db2.gz RXNZZLPVZDOKFZ-UHFFFAOYSA-N 0 0 400.243 4.208 20 5 HIBDRN O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000475842744 890776223 /nfs/dbraw/zinc/77/62/23/890776223.db2.gz BMPIVMLWURNHCD-UHFFFAOYSA-N 0 0 408.748 4.288 20 5 HIBDRN C[C@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1)c1ccc([N+](=O)[O-])cc1F ZINC000475859195 890794850 /nfs/dbraw/zinc/79/48/50/890794850.db2.gz ZPCRZNUELSLLOS-BBATYDOGSA-N 0 0 410.804 4.230 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cc1OC ZINC000475876879 890811883 /nfs/dbraw/zinc/81/18/83/890811883.db2.gz PLUJDJYTBZSTFF-UHFFFAOYSA-N 0 0 416.821 4.094 20 5 HIBDRN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475886190 890820039 /nfs/dbraw/zinc/82/00/39/890820039.db2.gz ZITVZJSVAHRGSN-GOSISDBHSA-N 0 0 411.483 4.048 20 5 HIBDRN Cc1cccc2c1OCC[C@H]2NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000475892846 890825696 /nfs/dbraw/zinc/82/56/96/890825696.db2.gz QXURWDFSCPDSSL-OAHLLOKOSA-N 0 0 410.348 4.098 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c2cccnc2O1 ZINC000475902947 890832127 /nfs/dbraw/zinc/83/21/27/890832127.db2.gz CZUNJGHWOZMLOC-OAHLLOKOSA-N 0 0 404.426 4.030 20 5 HIBDRN COc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(OC(F)F)c1 ZINC000475952966 890874706 /nfs/dbraw/zinc/87/47/06/890874706.db2.gz CSHOMNYSBWVGDR-QGZVFWFLSA-N 0 0 410.398 4.093 20 5 HIBDRN CCc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1C1CCCC1 ZINC000475965348 890884689 /nfs/dbraw/zinc/88/46/89/890884689.db2.gz HQBGZBYYUNMARY-UHFFFAOYSA-N 0 0 412.490 4.152 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000475964716 890884708 /nfs/dbraw/zinc/88/47/08/890884708.db2.gz FIZQQSXVWIWUNT-OLZOCXBDSA-N 0 0 404.850 4.284 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000476083705 891005830 /nfs/dbraw/zinc/00/58/30/891005830.db2.gz LOHBAUVRBIVOGN-UHFFFAOYSA-N 0 0 420.141 4.212 20 5 HIBDRN CCN(CC)C(=O)C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000476138087 891060760 /nfs/dbraw/zinc/06/07/60/891060760.db2.gz GIKNONDJPQXZRK-UHFFFAOYSA-N 0 0 424.501 4.059 20 5 HIBDRN Cc1c(C(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000476204191 891135464 /nfs/dbraw/zinc/13/54/64/891135464.db2.gz QUEBXVNCGJNIPX-NQIIRXRSSA-N 0 0 419.485 4.015 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000476236406 891160450 /nfs/dbraw/zinc/16/04/50/891160450.db2.gz VZASLCSBTVVOEK-INIZCTEOSA-N 0 0 404.264 4.284 20 5 HIBDRN CC[C@@H](CCO)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000476253613 891177222 /nfs/dbraw/zinc/17/72/22/891177222.db2.gz RKCSDZSPRVOFDJ-ZDUSSCGKSA-N 0 0 422.865 4.188 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2ccccc2F)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000476316509 891225340 /nfs/dbraw/zinc/22/53/40/891225340.db2.gz MJQHWOZMZCMGJL-QGZVFWFLSA-N 0 0 412.465 4.077 20 5 HIBDRN O=C(N[C@H]1CCCN(c2ccccc2F)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000476316508 891225681 /nfs/dbraw/zinc/22/56/81/891225681.db2.gz MJQHWOZMZCMGJL-KRWDZBQOSA-N 0 0 412.465 4.077 20 5 HIBDRN Cc1c(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cccc1[N+](=O)[O-] ZINC000476377867 891291920 /nfs/dbraw/zinc/29/19/20/891291920.db2.gz LCNLULBDHMJCGC-DLBZAZTESA-N 0 0 410.257 4.332 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1c(-c2ccco2)nc2ccccn21 ZINC000476427139 891338952 /nfs/dbraw/zinc/33/89/52/891338952.db2.gz CLIWLIXBFBPATR-UHFFFAOYSA-N 0 0 401.382 4.096 20 5 HIBDRN CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000476482226 891392753 /nfs/dbraw/zinc/39/27/53/891392753.db2.gz IRFRBHQYVLFTQJ-UHFFFAOYSA-N 0 0 403.243 4.213 20 5 HIBDRN COc1c(C(=O)N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000476544216 891459281 /nfs/dbraw/zinc/45/92/81/891459281.db2.gz YFHURCXKQLPNPM-UHFFFAOYSA-N 0 0 424.284 4.263 20 5 HIBDRN COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000476576883 891497993 /nfs/dbraw/zinc/49/79/93/891497993.db2.gz RYTGCHQLZFYACT-IBGZPJMESA-N 0 0 400.478 4.011 20 5 HIBDRN COc1nn(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000476606428 891541642 /nfs/dbraw/zinc/54/16/42/891541642.db2.gz WYAJZXGRJNUDMI-UHFFFAOYSA-N 0 0 418.862 4.394 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H](C)CNc2ccccc2)c([N+](=O)[O-])cc1OCC ZINC000476624889 891559528 /nfs/dbraw/zinc/55/95/28/891559528.db2.gz BLBKETGJNUEOED-AWEZNQCLSA-N 0 0 402.451 4.014 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000476642137 891582136 /nfs/dbraw/zinc/58/21/36/891582136.db2.gz HZMDPWMLEZQBKL-DZGCQCFKSA-N 0 0 410.396 4.193 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000476642143 891582351 /nfs/dbraw/zinc/58/23/51/891582351.db2.gz HZMDPWMLEZQBKL-ZFWWWQNUSA-N 0 0 410.396 4.193 20 5 HIBDRN COc1c(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000476665049 891612918 /nfs/dbraw/zinc/61/29/18/891612918.db2.gz HNAAJFAFMGCPMG-CQSZACIVSA-N 0 0 420.290 4.238 20 5 HIBDRN C[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cn(C)c2ccccc12 ZINC000476689432 891644583 /nfs/dbraw/zinc/64/45/83/891644583.db2.gz NHYCWEPWRSSDCP-INIZCTEOSA-N 0 0 407.470 4.260 20 5 HIBDRN Cc1ccc2[nH]c(CNC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)nc2c1 ZINC000476911634 891862802 /nfs/dbraw/zinc/86/28/02/891862802.db2.gz IOYFZEFSDPNEMO-UHFFFAOYSA-N 0 0 418.403 4.074 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)c1[N+](=O)[O-] ZINC000476927034 891873863 /nfs/dbraw/zinc/87/38/63/891873863.db2.gz NHRXQKVJHVTPOF-UHFFFAOYSA-N 0 0 409.830 4.439 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000476997839 891923564 /nfs/dbraw/zinc/92/35/64/891923564.db2.gz RXFWBPCXPNPKLG-SCLBCKFNSA-N 0 0 423.391 4.014 20 5 HIBDRN CSc1ccc(C(=O)N(Cc2ccnc(OC(C)C)c2)C2CC2)cc1[N+](=O)[O-] ZINC000504883299 913614824 /nfs/dbraw/zinc/61/48/24/913614824.db2.gz SZUDQUGSOTYDEC-UHFFFAOYSA-N 0 0 401.488 4.304 20 5 HIBDRN COc1c(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)cccc1[N+](=O)[O-] ZINC000477142558 892067721 /nfs/dbraw/zinc/06/77/21/892067721.db2.gz YCXIVKGAHWDCQC-UHFFFAOYSA-N 0 0 406.442 4.394 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000477194498 892118921 /nfs/dbraw/zinc/11/89/21/892118921.db2.gz RVIHLDJUVACYTM-NRFANRHFSA-N 0 0 415.877 4.022 20 5 HIBDRN C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl ZINC000477240345 892184771 /nfs/dbraw/zinc/18/47/71/892184771.db2.gz PFTMUXHECGHSCK-NSHDSACASA-N 0 0 402.813 4.279 20 5 HIBDRN CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n1 ZINC000477250741 892201693 /nfs/dbraw/zinc/20/16/93/892201693.db2.gz OAQLSPZGZPDWML-ZDUSSCGKSA-N 0 0 422.507 4.096 20 5 HIBDRN CCN(C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1)CC(F)(F)F ZINC000477297332 892258673 /nfs/dbraw/zinc/25/86/73/892258673.db2.gz BGAJBSRBCRSYEM-LBPRGKRZSA-N 0 0 415.437 4.156 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1ccccc1COCc1ccccc1 ZINC000477311280 892273382 /nfs/dbraw/zinc/27/33/82/892273382.db2.gz YCCJNIMBXSQHME-UHFFFAOYSA-N 0 0 408.429 4.310 20 5 HIBDRN Cc1oc2ccc(NC(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2c1C ZINC000477336089 892305331 /nfs/dbraw/zinc/30/53/31/892305331.db2.gz IYTCQFIOIJBJKF-UHFFFAOYSA-N 0 0 409.442 4.035 20 5 HIBDRN NC(=O)c1ccccc1Oc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000477372652 892333854 /nfs/dbraw/zinc/33/38/54/892333854.db2.gz JRNWUUKCOMRJQD-UHFFFAOYSA-N 0 0 416.393 4.220 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)C/C=C\c3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000477375325 892336757 /nfs/dbraw/zinc/33/67/57/892336757.db2.gz QETGPXIQDHLQMW-PLNGDYQASA-N 0 0 409.486 4.054 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000477378752 892340180 /nfs/dbraw/zinc/34/01/80/892340180.db2.gz AGMRCYCCVSMLIX-UHFFFAOYSA-N 0 0 408.845 4.363 20 5 HIBDRN CCOc1cc(CCCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])ccc1OC ZINC000477385552 892344880 /nfs/dbraw/zinc/34/48/80/892344880.db2.gz WDGDBDAWYQMLDD-UHFFFAOYSA-N 0 0 406.866 4.327 20 5 HIBDRN Cc1ccccc1[C@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000504920869 913655848 /nfs/dbraw/zinc/65/58/48/913655848.db2.gz UEMRUYXVXFRSCZ-AWEZNQCLSA-N 0 0 408.376 4.474 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000477432518 892384611 /nfs/dbraw/zinc/38/46/11/892384611.db2.gz WQGSBXVQMUGZTL-CQSZACIVSA-N 0 0 410.449 4.359 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000504924856 913662498 /nfs/dbraw/zinc/66/24/98/913662498.db2.gz OVSKBFLBFMJERS-UHFFFAOYSA-N 0 0 401.316 4.339 20 5 HIBDRN Cc1cc(C)nc(Sc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)n1 ZINC000477499567 892503982 /nfs/dbraw/zinc/50/39/82/892503982.db2.gz NZOQMVKCAMKBNK-UHFFFAOYSA-N 0 0 412.446 4.473 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNc1cc(Cl)ccc1N1CCC(CO)CC1 ZINC000477518530 892535640 /nfs/dbraw/zinc/53/56/40/892535640.db2.gz DRZYFOFJFVDWEY-UHFFFAOYSA-N 0 0 405.882 4.078 20 5 HIBDRN COc1cc(OCC(=O)N(C)C2c3ccccc3-c3ccccc32)ccc1[N+](=O)[O-] ZINC000477521100 892540188 /nfs/dbraw/zinc/54/01/88/892540188.db2.gz FWXDYPCNMMTLEP-UHFFFAOYSA-N 0 0 404.422 4.211 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000477523170 892546989 /nfs/dbraw/zinc/54/69/89/892546989.db2.gz JNRDTEYLVGCIEY-UHFFFAOYSA-N 0 0 400.859 4.128 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1nnc(/C=C\c2ccco2)s1 ZINC000477531615 892561078 /nfs/dbraw/zinc/56/10/78/892561078.db2.gz MWDBXXHLXMWEJS-WAYWQWQTSA-N 0 0 419.850 4.227 20 5 HIBDRN CCOc1cc(Br)ccc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000477565467 892622230 /nfs/dbraw/zinc/62/22/30/892622230.db2.gz QWKWVHNQNFLGCK-UHFFFAOYSA-N 0 0 408.252 4.115 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CC[C@@H](c2ccccc2)C1 ZINC000477590282 892664903 /nfs/dbraw/zinc/66/49/03/892664903.db2.gz SECBZKSPMHIBCT-GOSISDBHSA-N 0 0 423.494 4.390 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000477608667 892696225 /nfs/dbraw/zinc/69/62/25/892696225.db2.gz MIXXNMADCVOHQD-UHFFFAOYSA-N 0 0 406.263 4.476 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000477615852 892712083 /nfs/dbraw/zinc/71/20/83/892712083.db2.gz HKLRYIMOOWZDBR-UHFFFAOYSA-N 0 0 416.262 4.344 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000504950821 913691790 /nfs/dbraw/zinc/69/17/90/913691790.db2.gz UKPJFFUWHPKQSS-UHFFFAOYSA-N 0 0 413.327 4.265 20 5 HIBDRN COCC[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000504960960 913699931 /nfs/dbraw/zinc/69/99/31/913699931.db2.gz APCSGVMUCINZEF-LBPRGKRZSA-N 0 0 418.393 4.193 20 5 HIBDRN Cc1cc(Br)cc(C)c1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000477667349 892802392 /nfs/dbraw/zinc/80/23/92/892802392.db2.gz NVQWAPYNYOIENI-UHFFFAOYSA-N 0 0 404.264 4.471 20 5 HIBDRN Cn1cc(-c2cc(F)ccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000477667205 892802515 /nfs/dbraw/zinc/80/25/15/892802515.db2.gz SXFJRAQMRYMNSL-UHFFFAOYSA-N 0 0 419.210 4.149 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)n1 ZINC000477679569 892807273 /nfs/dbraw/zinc/80/72/73/892807273.db2.gz YTWOSJSBNMYGMN-UHFFFAOYSA-N 0 0 411.365 4.206 20 5 HIBDRN Cc1nc(-c2ccccc2NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cs1 ZINC000477700764 892816723 /nfs/dbraw/zinc/81/67/23/892816723.db2.gz XMKKGBONQDAGBZ-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CCN(C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000477713898 892822561 /nfs/dbraw/zinc/82/25/61/892822561.db2.gz HFLWDUATZJCPLO-CQSZACIVSA-N 0 0 415.456 4.239 20 5 HIBDRN COC(=O)c1c(C2CC2)csc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000477719598 892825619 /nfs/dbraw/zinc/82/56/19/892825619.db2.gz MNJYNVILLALODT-UHFFFAOYSA-N 0 0 403.460 4.027 20 5 HIBDRN COC(=O)c1c(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000477797359 892872661 /nfs/dbraw/zinc/87/26/61/892872661.db2.gz UPEYWOLEIFOYDV-UHFFFAOYSA-N 0 0 417.487 4.028 20 5 HIBDRN COc1ccc(C(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)cc1[N+](=O)[O-] ZINC000477899457 892967805 /nfs/dbraw/zinc/96/78/05/892967805.db2.gz DJBRPLLBGUPZMS-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000477945121 893035310 /nfs/dbraw/zinc/03/53/10/893035310.db2.gz WNMOVWIMNLTXNG-UHFFFAOYSA-N 0 0 422.279 4.462 20 5 HIBDRN CCN(C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[C@@H](C)C(F)(F)F ZINC000477952025 893042696 /nfs/dbraw/zinc/04/26/96/893042696.db2.gz YDRMIGAIPZNXPF-MCIONIFRSA-N 0 0 401.429 4.490 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000477978751 893075178 /nfs/dbraw/zinc/07/51/78/893075178.db2.gz WGBPKTRQXRDFNE-CHWSQXEVSA-N 0 0 420.288 4.046 20 5 HIBDRN Cc1csc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1Cl ZINC000477996212 893097713 /nfs/dbraw/zinc/09/77/13/893097713.db2.gz FTFYSTYYMOZWBC-ZDUSSCGKSA-N 0 0 410.879 4.431 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000478001599 893105533 /nfs/dbraw/zinc/10/55/33/893105533.db2.gz KVACGGSFCFBMOV-VXGBXAGGSA-N 0 0 413.318 4.183 20 5 HIBDRN O=C(N[C@@H](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1)c1ccccc1 ZINC000504986632 913732790 /nfs/dbraw/zinc/73/27/90/913732790.db2.gz OHVNVUUNMAGGAC-FQEVSTJZSA-N 0 0 414.421 4.359 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000478007415 893115218 /nfs/dbraw/zinc/11/52/18/893115218.db2.gz ZAHKDHNSDHWEPW-NXEZZACHSA-N 0 0 413.318 4.427 20 5 HIBDRN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000478013590 893127162 /nfs/dbraw/zinc/12/71/62/893127162.db2.gz DURSKNCACWZDKC-UHFFFAOYSA-N 0 0 401.220 4.308 20 5 HIBDRN COc1cc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1C ZINC000478051296 893199730 /nfs/dbraw/zinc/19/97/30/893199730.db2.gz CDNJTGWBDIIUNB-UHFFFAOYSA-N 0 0 419.437 4.094 20 5 HIBDRN Cc1nc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)nc2c1CCCC2 ZINC000478063510 893222653 /nfs/dbraw/zinc/22/26/53/893222653.db2.gz QCSYFRVKKNDMLP-HUUCEWRRSA-N 0 0 423.517 4.307 20 5 HIBDRN O=C(Nc1cccc(OCc2cscn2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000505001504 913745578 /nfs/dbraw/zinc/74/55/78/913745578.db2.gz UTTJFMXYVKKYSN-UHFFFAOYSA-N 0 0 410.455 4.457 20 5 HIBDRN O=C(NCc1cc(Br)ccc1Br)c1ccccc1[N+](=O)[O-] ZINC000478093046 893256454 /nfs/dbraw/zinc/25/64/54/893256454.db2.gz SKAATYOMGDKMAP-UHFFFAOYSA-N 0 0 414.053 4.050 20 5 HIBDRN O=C(NCCCc1ccccc1F)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000478117442 893285762 /nfs/dbraw/zinc/28/57/62/893285762.db2.gz RBECLUPMWHGMJQ-UHFFFAOYSA-N 0 0 410.395 4.461 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)c1[N+](=O)[O-] ZINC000478154971 893324651 /nfs/dbraw/zinc/32/46/51/893324651.db2.gz VLSZTNCBXPLTDM-UHFFFAOYSA-N 0 0 406.485 4.257 20 5 HIBDRN COc1cc(C(=O)N(C)[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000478218706 893379339 /nfs/dbraw/zinc/37/93/39/893379339.db2.gz RPCOFNXQORGDRV-AWEZNQCLSA-N 0 0 419.503 4.290 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc([C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)n2)c1 ZINC000505024093 913763241 /nfs/dbraw/zinc/76/32/41/913763241.db2.gz KXMSPWKCXVVXCG-CYBMUJFWSA-N 0 0 419.363 4.443 20 5 HIBDRN C[C@H](C1CC1)N(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000478256211 893435275 /nfs/dbraw/zinc/43/52/75/893435275.db2.gz MEWYGUHTZNPFNY-MRXNPFEDSA-N 0 0 404.470 4.247 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000478261860 893447850 /nfs/dbraw/zinc/44/78/50/893447850.db2.gz SNROENFNAZJGOJ-NVXWUHKLSA-N 0 0 409.417 4.113 20 5 HIBDRN COc1cc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000478271138 893465040 /nfs/dbraw/zinc/46/50/40/893465040.db2.gz ZUISIFGJMATBGL-UHFFFAOYSA-N 0 0 404.850 4.285 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000478270928 893465339 /nfs/dbraw/zinc/46/53/39/893465339.db2.gz WURNBSDWGULQEV-BBRMVZONSA-N 0 0 421.266 4.491 20 5 HIBDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)CCC2 ZINC000478292392 893504169 /nfs/dbraw/zinc/50/41/69/893504169.db2.gz KNTQKGNQVQWLKA-KRWDZBQOSA-N 0 0 414.531 4.364 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000478335074 893569241 /nfs/dbraw/zinc/56/92/41/893569241.db2.gz FZNLXRCTRDXJJA-DYESRHJHSA-N 0 0 422.547 4.143 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000478337866 893575163 /nfs/dbraw/zinc/57/51/63/893575163.db2.gz IWQCKCFAQQAQIG-KGLIPLIRSA-N 0 0 404.488 4.278 20 5 HIBDRN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000478337768 893576175 /nfs/dbraw/zinc/57/61/75/893576175.db2.gz IMTUCQBZLWOLSX-AWEZNQCLSA-N 0 0 414.874 4.401 20 5 HIBDRN O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000478378775 893645266 /nfs/dbraw/zinc/64/52/66/893645266.db2.gz HYQVACBNUIODOA-UHFFFAOYSA-N 0 0 417.400 4.293 20 5 HIBDRN O=C(Nc1cccc(OCc2cscn2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000505052478 913792154 /nfs/dbraw/zinc/79/21/54/913792154.db2.gz UCZAYFGRCABMRV-UHFFFAOYSA-N 0 0 421.438 4.068 20 5 HIBDRN Cc1ccc(CN(CCO)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)o1 ZINC000478406278 893691870 /nfs/dbraw/zinc/69/18/70/893691870.db2.gz UEAVUUXNPNLDMF-UHFFFAOYSA-N 0 0 412.467 4.282 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)cccc1[N+](=O)[O-] ZINC000478414213 893704783 /nfs/dbraw/zinc/70/47/83/893704783.db2.gz FWBZTNQRZVFQSX-HNNXBMFYSA-N 0 0 422.485 4.032 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCc2cc(Br)cc(F)c21 ZINC000478443968 893752590 /nfs/dbraw/zinc/75/25/90/893752590.db2.gz KYNXJJVXSZIBIY-UHFFFAOYSA-N 0 0 405.179 4.446 20 5 HIBDRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000478485016 893807545 /nfs/dbraw/zinc/80/75/45/893807545.db2.gz SEBSFEYCUSRQES-MRXNPFEDSA-N 0 0 421.291 4.125 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC000478495845 893812489 /nfs/dbraw/zinc/81/24/89/893812489.db2.gz VPTCTAWJOXRCIN-AWEZNQCLSA-N 0 0 408.520 4.148 20 5 HIBDRN Cc1ccnc([C@@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000478507394 893818952 /nfs/dbraw/zinc/81/89/52/893818952.db2.gz VHYVHFCWUOVQBQ-FQEVSTJZSA-N 0 0 403.442 4.318 20 5 HIBDRN Cc1ccnc([C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000478507396 893819032 /nfs/dbraw/zinc/81/90/32/893819032.db2.gz VHYVHFCWUOVQBQ-HXUWFJFHSA-N 0 0 403.442 4.318 20 5 HIBDRN Cc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)sn1 ZINC000478553971 893846249 /nfs/dbraw/zinc/84/62/49/893846249.db2.gz QFOIQZTVKWDUHK-UHFFFAOYSA-N 0 0 414.409 4.234 20 5 HIBDRN COc1cc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cc([N+](=O)[O-])c1C ZINC000478555316 893847736 /nfs/dbraw/zinc/84/77/36/893847736.db2.gz UQOVOQVXQFFBPD-UHFFFAOYSA-N 0 0 404.850 4.249 20 5 HIBDRN CC(C)(C)CC[C@H](CO)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000478611893 893875730 /nfs/dbraw/zinc/87/57/30/893875730.db2.gz XHZIEQWPJLXKDI-QGZVFWFLSA-N 0 0 400.475 4.091 20 5 HIBDRN Cc1ccc(OCCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(Br)c1 ZINC000505093575 913813668 /nfs/dbraw/zinc/81/36/68/913813668.db2.gz HZMHWOODQXPIPL-UHFFFAOYSA-N 0 0 404.220 4.337 20 5 HIBDRN O=C1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CN1c1cccc2ccccc21 ZINC000505101838 913817582 /nfs/dbraw/zinc/81/75/82/913817582.db2.gz BSMCBRRKJFTGII-MRXNPFEDSA-N 0 0 400.394 4.319 20 5 HIBDRN CCSc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000505120937 913827432 /nfs/dbraw/zinc/82/74/32/913827432.db2.gz UUJHYDLSSANBAZ-LJQANCHMSA-N 0 0 413.499 4.259 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000505121007 913827641 /nfs/dbraw/zinc/82/76/41/913827641.db2.gz RYBRVYSIZKKUHB-IBGZPJMESA-N 0 0 401.850 4.036 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)on1 ZINC000478745303 894020361 /nfs/dbraw/zinc/02/03/61/894020361.db2.gz XKYDSWMKHUJHMW-UHFFFAOYSA-N 0 0 421.384 4.481 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCCOc2c(F)cccc21 ZINC000478779130 894055122 /nfs/dbraw/zinc/05/51/22/894055122.db2.gz PMCIEKYPYSXTAU-MRXNPFEDSA-N 0 0 423.238 4.069 20 5 HIBDRN Cc1ccc(N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Br ZINC000478779580 894055200 /nfs/dbraw/zinc/05/52/00/894055200.db2.gz CEDZVUZGXGUBCQ-UHFFFAOYSA-N 0 0 419.684 4.144 20 5 HIBDRN CCO[C@H]1C[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C12CCC2 ZINC000478813537 894086124 /nfs/dbraw/zinc/08/61/24/894086124.db2.gz OUICFXWNRBQNBF-IRXDYDNUSA-N 0 0 401.488 4.138 20 5 HIBDRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc([N+](=O)[O-])cnc3C)s2)cc1 ZINC000505147468 913842584 /nfs/dbraw/zinc/84/25/84/913842584.db2.gz VBCWNZYAISQSHN-LBPRGKRZSA-N 0 0 412.471 4.230 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1OCc1nc(C2CC2)cs1 ZINC000478893091 894174681 /nfs/dbraw/zinc/17/46/81/894174681.db2.gz ADZUKEZYIJSXJQ-UHFFFAOYSA-N 0 0 402.213 4.112 20 5 HIBDRN COc1ccccc1C[C@H]1CCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000478895370 894176601 /nfs/dbraw/zinc/17/66/01/894176601.db2.gz CQMGNJAPODRICN-MAUKXSAKSA-N 0 0 400.500 4.318 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c1[N+](=O)[O-] ZINC000478905042 894186535 /nfs/dbraw/zinc/18/65/35/894186535.db2.gz COVKKZGSLHVZOA-UHFFFAOYSA-N 0 0 411.443 4.241 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000478907803 894187842 /nfs/dbraw/zinc/18/78/42/894187842.db2.gz MNOHMGYRQNYJRO-AWEZNQCLSA-N 0 0 403.744 4.122 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000505152140 913845830 /nfs/dbraw/zinc/84/58/30/913845830.db2.gz VTQNPSIEFBRMAQ-LJQANCHMSA-N 0 0 404.422 4.281 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)OCCO2 ZINC000479008298 894276152 /nfs/dbraw/zinc/27/61/52/894276152.db2.gz FCIDYTZRJPWOBW-UHFFFAOYSA-N 0 0 402.472 4.044 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000479025610 894290650 /nfs/dbraw/zinc/29/06/50/894290650.db2.gz WERRLMFUALDLMN-UHFFFAOYSA-N 0 0 401.488 4.034 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Br)c([N+](=O)[O-])c1 ZINC000479106089 894369979 /nfs/dbraw/zinc/36/99/79/894369979.db2.gz IBDXKGGDBNVMHW-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2Br)ccc1[N+](=O)[O-] ZINC000479138602 894408775 /nfs/dbraw/zinc/40/87/75/894408775.db2.gz YQBWOKILRJJADA-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000479146257 894414901 /nfs/dbraw/zinc/41/49/01/894414901.db2.gz YXOGGGITXLBSIK-UHFFFAOYSA-N 0 0 422.416 4.426 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000479154468 894423809 /nfs/dbraw/zinc/42/38/09/894423809.db2.gz AMKIQLSYFBHXAZ-GFCCVEGCSA-N 0 0 424.423 4.265 20 5 HIBDRN Cc1cc(OCC(=O)N[C@@H](c2cccs2)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000479158530 894428949 /nfs/dbraw/zinc/42/89/49/894428949.db2.gz HAHXBYWWNOALQO-HXUWFJFHSA-N 0 0 400.431 4.388 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(-n2cccn2)c(F)c1 ZINC000505184190 913869120 /nfs/dbraw/zinc/86/91/20/913869120.db2.gz MKEVAPNDSVGBRS-LLVKDONJSA-N 0 0 422.338 4.429 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](Sc2nc3cncnc3[nH]2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000479179277 894447139 /nfs/dbraw/zinc/44/71/39/894447139.db2.gz DKGATSSERMPJCG-QGZVFWFLSA-N 0 0 420.454 4.042 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000479183024 894451158 /nfs/dbraw/zinc/45/11/58/894451158.db2.gz PFRDCZITNOISJP-OAQYLSRUSA-N 0 0 417.465 4.160 20 5 HIBDRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000479191794 894459658 /nfs/dbraw/zinc/45/96/58/894459658.db2.gz PJLZXKSKNXACEB-AWEZNQCLSA-N 0 0 424.866 4.250 20 5 HIBDRN O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000479235090 894496544 /nfs/dbraw/zinc/49/65/44/894496544.db2.gz BXCOEQZHBWTDAL-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN CC(C)(c1nc(CC(=O)Nc2ccc(Cl)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000479264821 894534497 /nfs/dbraw/zinc/53/44/97/894534497.db2.gz GFUPQLPYLGOYBI-UHFFFAOYSA-N 0 0 400.822 4.138 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000479277990 894554107 /nfs/dbraw/zinc/55/41/07/894554107.db2.gz CNCIFLIXAKXMMC-SFHVURJKSA-N 0 0 403.797 4.082 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000505204165 913882269 /nfs/dbraw/zinc/88/22/69/913882269.db2.gz NBLFBHAXVAWZLB-UHFFFAOYSA-N 0 0 419.363 4.240 20 5 HIBDRN C[C@@H]1CC(C)(C)N(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc21 ZINC000479312614 894598921 /nfs/dbraw/zinc/59/89/21/894598921.db2.gz SZIZXRJCFQSBDC-CYBMUJFWSA-N 0 0 413.499 4.105 20 5 HIBDRN Cc1cc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)ccc1[N+](=O)[O-] ZINC000505217217 913888812 /nfs/dbraw/zinc/88/88/12/913888812.db2.gz BNQLDMJDMOGZRX-UHFFFAOYSA-N 0 0 423.391 4.411 20 5 HIBDRN CCCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCCc2cccnc21 ZINC000479354347 894650441 /nfs/dbraw/zinc/65/04/41/894650441.db2.gz BXNMTXFGGUNINQ-HXUWFJFHSA-N 0 0 405.458 4.105 20 5 HIBDRN CCCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCc2cccnc21 ZINC000479357914 894656886 /nfs/dbraw/zinc/65/68/86/894656886.db2.gz HVHDABVWHGMSGS-IBGZPJMESA-N 0 0 406.442 4.173 20 5 HIBDRN CCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCCc2cccnc21 ZINC000479361961 894659832 /nfs/dbraw/zinc/65/98/32/894659832.db2.gz QUWNGMKFFLVJKO-FQEVSTJZSA-N 0 0 405.458 4.105 20 5 HIBDRN O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479389382 894691980 /nfs/dbraw/zinc/69/19/80/894691980.db2.gz PFBHFRCOFNNNRW-GOSISDBHSA-N 0 0 406.417 4.286 20 5 HIBDRN O=C(COc1ccc(Cl)c2cccnc12)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479394947 894699599 /nfs/dbraw/zinc/69/95/99/894699599.db2.gz UPSSRYQTFPUJMY-UHFFFAOYSA-N 0 0 420.252 4.188 20 5 HIBDRN O=C(CNc1cccc(Cl)c1Br)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000479444543 894761637 /nfs/dbraw/zinc/76/16/37/894761637.db2.gz JEZXNGFZHUNYNZ-UHFFFAOYSA-N 0 0 410.655 4.012 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000479472569 894794643 /nfs/dbraw/zinc/79/46/43/894794643.db2.gz DELYNJGKLDNZBM-UHFFFAOYSA-N 0 0 408.241 4.322 20 5 HIBDRN COc1ccccc1-c1nc(C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000479564293 894860481 /nfs/dbraw/zinc/86/04/81/894860481.db2.gz FMXADGQZKHZSNH-UHFFFAOYSA-N 0 0 423.429 4.065 20 5 HIBDRN CCC[C@](C)(O)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000479586877 894873113 /nfs/dbraw/zinc/87/31/13/894873113.db2.gz NKGBWENLAPUMTB-FQEVSTJZSA-N 0 0 422.865 4.330 20 5 HIBDRN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479633839 894899854 /nfs/dbraw/zinc/89/98/54/894899854.db2.gz AUZAWSNDZARWMR-UHFFFAOYSA-N 0 0 412.405 4.264 20 5 HIBDRN CCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2I)ccc1C ZINC000479670784 894949362 /nfs/dbraw/zinc/94/93/62/894949362.db2.gz DIFORYNTIJQGGX-UHFFFAOYSA-N 0 0 410.211 4.323 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NCc3nc4c(s3)CCCC4)cc2[N+](=O)[O-])CC1 ZINC000479691664 894979697 /nfs/dbraw/zinc/97/96/97/894979697.db2.gz UZAYNDKDROEDPM-UHFFFAOYSA-N 0 0 414.531 4.096 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000479732350 895030378 /nfs/dbraw/zinc/03/03/78/895030378.db2.gz XMYIKTOFPDJODT-VLIAUNLRSA-N 0 0 417.893 4.354 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CO)(c2ccccc2)CC1 ZINC000479759781 895060480 /nfs/dbraw/zinc/06/04/80/895060480.db2.gz OYYAWYZMUUKTTM-UHFFFAOYSA-N 0 0 414.527 4.262 20 5 HIBDRN COc1c(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)cccc1[N+](=O)[O-] ZINC000479814520 895125084 /nfs/dbraw/zinc/12/50/84/895125084.db2.gz NNTFIGFNLZHFEV-UHFFFAOYSA-N 0 0 423.248 4.070 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(-c2cccnc2)ccc1C ZINC000479819508 895133588 /nfs/dbraw/zinc/13/35/88/895133588.db2.gz QPPUBGAPAWEZAT-OAHLLOKOSA-N 0 0 406.442 4.413 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000479854756 895189569 /nfs/dbraw/zinc/18/95/69/895189569.db2.gz WNCYSTBNXXRJPC-UHFFFAOYSA-N 0 0 424.457 4.487 20 5 HIBDRN CCOc1ccccc1Nc1nnc(Sc2c([N+](=O)[O-])c(C)nn2CC)s1 ZINC000479863092 895201107 /nfs/dbraw/zinc/20/11/07/895201107.db2.gz LKFZFFJCTPOMDU-UHFFFAOYSA-N 0 0 406.493 4.265 20 5 HIBDRN CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-] ZINC000479944993 895298429 /nfs/dbraw/zinc/29/84/29/895298429.db2.gz YZRXSSWKHOBXOJ-HNNXBMFYSA-N 0 0 409.483 4.205 20 5 HIBDRN CCC[C@H](NCc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000480052507 895399907 /nfs/dbraw/zinc/39/99/07/895399907.db2.gz XVDNOTCAXYAWHL-NRFANRHFSA-N 0 0 414.481 4.231 20 5 HIBDRN Cc1c(CNC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000480054792 895402865 /nfs/dbraw/zinc/40/28/65/895402865.db2.gz PTZJHCYSCHNWMM-SFHVURJKSA-N 0 0 423.391 4.205 20 5 HIBDRN Cc1c(CNC(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000480059136 895406544 /nfs/dbraw/zinc/40/65/44/895406544.db2.gz XLZYSAWKXVZYOD-UHFFFAOYSA-N 0 0 411.380 4.142 20 5 HIBDRN Cc1coc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc12 ZINC000480068376 895418577 /nfs/dbraw/zinc/41/85/77/895418577.db2.gz CQGNKVWGIWZELG-IBGZPJMESA-N 0 0 407.426 4.201 20 5 HIBDRN COCCN(Cc1ccc(F)cc1Cl)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000480076219 895429221 /nfs/dbraw/zinc/42/92/21/895429221.db2.gz VQEZEMDOEAIUED-UHFFFAOYSA-N 0 0 409.845 4.054 20 5 HIBDRN COc1cc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)c([N+](=O)[O-])cc1OC ZINC000480108857 895479013 /nfs/dbraw/zinc/47/90/13/895479013.db2.gz ZZDROMIZCKRVDG-LLVKDONJSA-N 0 0 419.503 4.472 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)c3nc4ccccc4o3)cc2[N+](=O)[O-])C1 ZINC000505309781 913971239 /nfs/dbraw/zinc/97/12/39/913971239.db2.gz BEPOMLIXGAXEAA-GJZGRUSLSA-N 0 0 408.458 4.495 20 5 HIBDRN COc1c(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)cccc1[N+](=O)[O-] ZINC000480198285 895595774 /nfs/dbraw/zinc/59/57/74/895595774.db2.gz NEUDSVBIRMTXLH-UHFFFAOYSA-N 0 0 402.457 4.096 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1Oc1ncnc2ccc(F)cc21 ZINC000480307320 895711147 /nfs/dbraw/zinc/71/11/47/895711147.db2.gz KLMJXQMBHBEILA-UHFFFAOYSA-N 0 0 411.130 4.074 20 5 HIBDRN Cc1ccc2ccccc2c1CS(=O)(=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000480321660 895723038 /nfs/dbraw/zinc/72/30/38/895723038.db2.gz AFGANYSFGMBVGM-UHFFFAOYSA-N 0 0 413.451 4.038 20 5 HIBDRN Cc1cc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cc([N+](=O)[O-])c1 ZINC000480357878 895763120 /nfs/dbraw/zinc/76/31/20/895763120.db2.gz FLGMQQAOPOUCMW-UHFFFAOYSA-N 0 0 401.426 4.143 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Br)c(C)cc2OC)cc([N+](=O)[O-])c1C ZINC000480419387 895815808 /nfs/dbraw/zinc/81/58/08/895815808.db2.gz JLPDYGMSQIOOCX-UHFFFAOYSA-N 0 0 409.236 4.244 20 5 HIBDRN Cc1ccc(CN2CC[C@H](NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000480471086 895853165 /nfs/dbraw/zinc/85/31/65/895853165.db2.gz RZBISAYIEKTDHR-FQEVSTJZSA-N 0 0 405.454 4.054 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000480497940 895868664 /nfs/dbraw/zinc/86/86/64/895868664.db2.gz NRZPEOOPZVEEPL-FZKQIMNGSA-N 0 0 409.483 4.107 20 5 HIBDRN CNC(=O)c1ccc(N[C@@H](c2cc(F)cc(Br)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000480507992 895875348 /nfs/dbraw/zinc/87/53/48/895875348.db2.gz CCBVUPFOANHEMT-QGZVFWFLSA-N 0 0 422.254 4.419 20 5 HIBDRN COCCCC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000480609581 895975849 /nfs/dbraw/zinc/97/58/49/895975849.db2.gz LULVWVLIPOFOLL-MRXNPFEDSA-N 0 0 412.895 4.085 20 5 HIBDRN Cc1cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnc1N1CCCC[C@H]1C ZINC000480656221 896024181 /nfs/dbraw/zinc/02/41/81/896024181.db2.gz WMFFEESAJGOEGG-QGZVFWFLSA-N 0 0 411.506 4.383 20 5 HIBDRN C[C@@H](CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1F ZINC000505363634 914027247 /nfs/dbraw/zinc/02/72/47/914027247.db2.gz FBJIUPIEFUTLLH-AWEZNQCLSA-N 0 0 404.413 4.437 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000480747606 896109293 /nfs/dbraw/zinc/10/92/93/896109293.db2.gz IYGGBAPNTJIUGZ-UHFFFAOYSA-N 0 0 422.812 4.392 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000480749750 896111141 /nfs/dbraw/zinc/11/11/41/896111141.db2.gz LKBDFRXPKFISKU-UHFFFAOYSA-N 0 0 402.394 4.047 20 5 HIBDRN CCOC(=O)c1ccn(-c2cccc(CNc3ccc([N+](=O)[O-])c4cccnc34)c2)n1 ZINC000480788700 896153834 /nfs/dbraw/zinc/15/38/34/896153834.db2.gz IEUNRENMWSDFJF-UHFFFAOYSA-N 0 0 417.425 4.118 20 5 HIBDRN CC(C)(C)C1CCC(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000480796600 896164568 /nfs/dbraw/zinc/16/45/68/896164568.db2.gz NTGZOBXELAXUNF-UHFFFAOYSA-N 0 0 421.563 4.183 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCc4cc(Cl)ccc4C3)cc2)c(C)c1[N+](=O)[O-] ZINC000480827893 896201568 /nfs/dbraw/zinc/20/15/68/896201568.db2.gz YFNULSSYVFPDBC-UHFFFAOYSA-N 0 0 424.888 4.308 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(Cc2nc3cc(Br)ccc3[nH]2)C2CC2)cc1 ZINC000480860715 896227129 /nfs/dbraw/zinc/22/71/29/896227129.db2.gz AYNMNMYAGWQZLS-UHFFFAOYSA-N 0 0 401.264 4.398 20 5 HIBDRN Cc1c(CNS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000480902996 896260251 /nfs/dbraw/zinc/26/02/51/896260251.db2.gz VWHMIWMGBBSTJF-UHFFFAOYSA-N 0 0 408.785 4.054 20 5 HIBDRN CC(C)(C)[C@@H]1C[C@@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000480918310 896277413 /nfs/dbraw/zinc/27/74/13/896277413.db2.gz UJXQDEPDQAPPSI-WFASDCNBSA-N 0 0 420.453 4.416 20 5 HIBDRN CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000480921342 896279164 /nfs/dbraw/zinc/27/91/64/896279164.db2.gz NWFQRUVOCYNCPF-IBGZPJMESA-N 0 0 422.506 4.422 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1C ZINC000480926142 896281504 /nfs/dbraw/zinc/28/15/04/896281504.db2.gz KLSUNHPUQSXDLW-UHFFFAOYSA-N 0 0 402.394 4.051 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](CSc3ccccc3)C2)c1[N+](=O)[O-] ZINC000481045835 896370944 /nfs/dbraw/zinc/37/09/44/896370944.db2.gz HBAGSVAIGMPXPL-INIZCTEOSA-N 0 0 406.529 4.015 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CC(F)(c3cccc(Cl)c3)C2)s1 ZINC000481083966 896402729 /nfs/dbraw/zinc/40/27/29/896402729.db2.gz ASJJQQHZUKFAPQ-UHFFFAOYSA-N 0 0 404.872 4.153 20 5 HIBDRN O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000481114029 896437581 /nfs/dbraw/zinc/43/75/81/896437581.db2.gz SBWMTQPZDNAFQR-UHFFFAOYSA-N 0 0 419.466 4.190 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000481168415 896501748 /nfs/dbraw/zinc/50/17/48/896501748.db2.gz QVIXTDRZSYPGHD-GFCCVEGCSA-N 0 0 415.471 4.315 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccccc2n1CCc1ccccn1 ZINC000481215015 896568460 /nfs/dbraw/zinc/56/84/60/896568460.db2.gz RBVXAPUFHPWISA-UHFFFAOYSA-N 0 0 401.426 4.143 20 5 HIBDRN Cc1ccc(-n2c(SCCn3ccc([N+](=O)[O-])n3)nnc2-c2ccccc2)cc1 ZINC000481238689 896588422 /nfs/dbraw/zinc/58/84/22/896588422.db2.gz XVRRBFNWUJKDND-UHFFFAOYSA-N 0 0 406.471 4.140 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000505426499 914090040 /nfs/dbraw/zinc/09/00/40/914090040.db2.gz YCIYIMRYMRKGNX-UHFFFAOYSA-N 0 0 404.426 4.436 20 5 HIBDRN CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481361599 896741699 /nfs/dbraw/zinc/74/16/99/896741699.db2.gz SMKOVGSQUGJFHC-NSHDSACASA-N 0 0 402.480 4.407 20 5 HIBDRN COCCn1ccc2ccc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc21 ZINC000481374567 896768465 /nfs/dbraw/zinc/76/84/65/896768465.db2.gz HYFYJQCKFOYJSW-UHFFFAOYSA-N 0 0 416.865 4.214 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481466902 896857930 /nfs/dbraw/zinc/85/79/30/896857930.db2.gz QXMGLSMFRZYXBI-UHFFFAOYSA-N 0 0 412.877 4.218 20 5 HIBDRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481478364 896864065 /nfs/dbraw/zinc/86/40/65/896864065.db2.gz OIWJCSSLTXBEOB-UHFFFAOYSA-N 0 0 420.513 4.322 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000481480270 896865222 /nfs/dbraw/zinc/86/52/22/896865222.db2.gz FFQYPVCNFUKQGO-LBPRGKRZSA-N 0 0 411.384 4.067 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C)O[C@H](C)C2 ZINC000481502658 896875559 /nfs/dbraw/zinc/87/55/59/896875559.db2.gz QIUFYYDIFSZWIP-XVGQJIODSA-N 0 0 410.470 4.045 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000481599407 896978508 /nfs/dbraw/zinc/97/85/08/896978508.db2.gz NTLGQQYVFCIRLV-LJQANCHMSA-N 0 0 421.856 4.098 20 5 HIBDRN CN(C[C@@H]1CCCO1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000481601515 896981872 /nfs/dbraw/zinc/98/18/72/896981872.db2.gz TVQALDMVWUQQIH-QFBILLFUSA-N 0 0 403.866 4.039 20 5 HIBDRN O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000481671118 897054772 /nfs/dbraw/zinc/05/47/72/897054772.db2.gz PICDCRCQUJDJNK-AWEZNQCLSA-N 0 0 416.396 4.148 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])c1OC ZINC000481683143 897067493 /nfs/dbraw/zinc/06/74/93/897067493.db2.gz ILWYLLFODYIZBW-JTQLQIEISA-N 0 0 414.336 4.002 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCCOc2c(F)cccc21 ZINC000481703670 897093397 /nfs/dbraw/zinc/09/33/97/897093397.db2.gz VKYCZSIRXVJFNV-CYBMUJFWSA-N 0 0 411.336 4.371 20 5 HIBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000481719013 897113787 /nfs/dbraw/zinc/11/37/87/897113787.db2.gz OQSSYLIKOVSASJ-AWEZNQCLSA-N 0 0 423.425 4.215 20 5 HIBDRN COc1cccc(C(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c2cccc(OC)c2)c1 ZINC000481731171 897125229 /nfs/dbraw/zinc/12/52/29/897125229.db2.gz VBEAGAGVQSWBEC-UHFFFAOYSA-N 0 0 422.437 4.140 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000505460013 914130844 /nfs/dbraw/zinc/13/08/44/914130844.db2.gz KNQJZVKULAPNKE-QPPBQGQZSA-N 0 0 418.497 4.467 20 5 HIBDRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000481853187 897218943 /nfs/dbraw/zinc/21/89/43/897218943.db2.gz VRKPFMFCGFEWBM-UHFFFAOYSA-N 0 0 415.381 4.434 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CCO1 ZINC000481852446 897219539 /nfs/dbraw/zinc/21/95/39/897219539.db2.gz KNAHNIKRSIKODS-MRXNPFEDSA-N 0 0 403.866 4.111 20 5 HIBDRN CC(=O)Nc1ccc(C(=O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000481968230 897359350 /nfs/dbraw/zinc/35/93/50/897359350.db2.gz ZNCIKVVACRKUQS-UHFFFAOYSA-N 0 0 404.422 4.406 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000481968443 897360238 /nfs/dbraw/zinc/36/02/38/897360238.db2.gz MFPKFXOWCDJFFY-UHFFFAOYSA-N 0 0 419.363 4.463 20 5 HIBDRN COc1ccc(NC(=O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cc1OC ZINC000481972518 897364586 /nfs/dbraw/zinc/36/45/86/897364586.db2.gz JZHYSCMTTYWIST-UHFFFAOYSA-N 0 0 422.437 4.220 20 5 HIBDRN COc1cc(Cl)c(Cl)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482011559 897410576 /nfs/dbraw/zinc/41/05/76/897410576.db2.gz ASDQYQIYYRXHJU-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000482048035 897471004 /nfs/dbraw/zinc/47/10/04/897471004.db2.gz WMYJKMCLYDBSDZ-UHFFFAOYSA-N 0 0 412.877 4.382 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(OC(F)F)c2cccnc12 ZINC000482067717 897503187 /nfs/dbraw/zinc/50/31/87/897503187.db2.gz KKTFELIVZRQKJA-UHFFFAOYSA-N 0 0 402.357 4.109 20 5 HIBDRN O=C(Cc1c[nH]c2cc(Br)ccc12)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000482091366 897534292 /nfs/dbraw/zinc/53/42/92/897534292.db2.gz VFOCTMCUYHICNW-UHFFFAOYSA-N 0 0 414.259 4.361 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@](C)(CO)c1ccc(Br)cc1 ZINC000482132193 897590530 /nfs/dbraw/zinc/59/05/30/897590530.db2.gz QFEJGHTZOSMMRA-GOSISDBHSA-N 0 0 422.279 4.003 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nc(-c2ccccc2F)co1 ZINC000482137706 897595139 /nfs/dbraw/zinc/59/51/39/897595139.db2.gz ROQZHFIDTZTAAH-UHFFFAOYSA-N 0 0 420.194 4.333 20 5 HIBDRN O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000482172483 897638522 /nfs/dbraw/zinc/63/85/22/897638522.db2.gz VQRVQSPNVFJTFT-UHFFFAOYSA-N 0 0 421.844 4.488 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)cc1SC ZINC000482215273 897694886 /nfs/dbraw/zinc/69/48/86/897694886.db2.gz RCMHVNYYWJOFLN-CMPLNLGQSA-N 0 0 406.426 4.424 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cccnc3)cs2)cc1SC ZINC000482237282 897718366 /nfs/dbraw/zinc/71/83/66/897718366.db2.gz GVBXSLBERXKADX-UHFFFAOYSA-N 0 0 402.457 4.096 20 5 HIBDRN CC[C@@H](CN(CC)C(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccccc1 ZINC000482244488 897726364 /nfs/dbraw/zinc/72/63/64/897726364.db2.gz HYTUVOYDAQHTOO-INIZCTEOSA-N 0 0 402.516 4.335 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1SC ZINC000482291685 897785904 /nfs/dbraw/zinc/78/59/04/897785904.db2.gz FVPFUNGCONFNRH-UHFFFAOYSA-N 0 0 402.350 4.476 20 5 HIBDRN Cc1cccc(Oc2ccccc2NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC000482305506 897803284 /nfs/dbraw/zinc/80/32/84/897803284.db2.gz VDRUMWFFOULFDN-UHFFFAOYSA-N 0 0 419.393 4.242 20 5 HIBDRN Cc1cc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)ccc1[N+](=O)[O-] ZINC000482324910 897826064 /nfs/dbraw/zinc/82/60/64/897826064.db2.gz CCANNWHJYXVEGO-WZONZLPQSA-N 0 0 418.453 4.147 20 5 HIBDRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000482383025 897912475 /nfs/dbraw/zinc/91/24/75/897912475.db2.gz SIPKCKAPONMBGK-NSHDSACASA-N 0 0 402.248 4.200 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 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901573131 /nfs/dbraw/zinc/57/31/31/901573131.db2.gz GTCQNINJBHMDIQ-SFHVURJKSA-N 0 0 410.499 4.301 20 5 HIBDRN CSc1cccc(C(=O)NCCCc2nc(-c3ccncc3)cs2)c1[N+](=O)[O-] ZINC000486414877 901573726 /nfs/dbraw/zinc/57/37/26/901573726.db2.gz WKSJCFVNJLOMPZ-UHFFFAOYSA-N 0 0 414.512 4.198 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486415672 901574471 /nfs/dbraw/zinc/57/44/71/901574471.db2.gz YPNWXGWMPRRTDT-LBPRGKRZSA-N 0 0 402.401 4.224 20 5 HIBDRN C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000486425097 901583983 /nfs/dbraw/zinc/58/39/83/901583983.db2.gz POYRWZZAABJIGI-IERDGZPVSA-N 0 0 418.449 4.468 20 5 HIBDRN O=C(N[C@H](c1cccnc1)C1CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486426181 901585509 /nfs/dbraw/zinc/58/55/09/901585509.db2.gz OXJBSNFYFKQUBS-QFIPXVFZSA-N 0 0 403.438 4.450 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](C)Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000486428355 901587362 /nfs/dbraw/zinc/58/73/62/901587362.db2.gz 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ZINC000487686272 902292395 /nfs/dbraw/zinc/29/23/95/902292395.db2.gz GRCCVTNIXMYCBZ-CQSZACIVSA-N 0 0 419.231 4.063 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000487714273 902311009 /nfs/dbraw/zinc/31/10/09/902311009.db2.gz IFXKULKRQDFKKF-UHFFFAOYSA-N 0 0 421.400 4.367 20 5 HIBDRN CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000487722690 902316974 /nfs/dbraw/zinc/31/69/74/902316974.db2.gz AJWLNELXWORKAK-UHFFFAOYSA-N 0 0 421.400 4.111 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000487722305 902317114 /nfs/dbraw/zinc/31/71/14/902317114.db2.gz QUHNXSXJUFAEFW-UKRRQHHQSA-N 0 0 417.535 4.474 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(Oc2ncccc2F)CC1 ZINC000487726619 902320063 /nfs/dbraw/zinc/32/00/63/902320063.db2.gz SXHWKXSKHWGMFG-UHFFFAOYSA-N 0 0 401.419 4.027 20 5 HIBDRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000487775361 902358207 /nfs/dbraw/zinc/35/82/07/902358207.db2.gz VSGYUZWFPPXGCR-UHFFFAOYSA-N 0 0 401.488 4.034 20 5 HIBDRN CC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000487829996 902392882 /nfs/dbraw/zinc/39/28/82/902392882.db2.gz ZYJKRIHIFCDPIO-HXUWFJFHSA-N 0 0 415.449 4.330 20 5 HIBDRN O=C(NC[C@@H]1SCCc2ccccc21)c1ccc([N+](=O)[O-])cc1Br ZINC000487831197 902394123 /nfs/dbraw/zinc/39/41/23/902394123.db2.gz GAFRZAJANRXGFQ-INIZCTEOSA-N 0 0 407.289 4.118 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Cl ZINC000487870398 902416340 /nfs/dbraw/zinc/41/63/40/902416340.db2.gz MCYWNXWXMULKPZ-UHFFFAOYSA-N 0 0 407.858 4.101 20 5 HIBDRN CCCNC(=O)c1cccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000487933523 902463152 /nfs/dbraw/zinc/46/31/52/902463152.db2.gz UXDJYXOANPUUSB-UHFFFAOYSA-N 0 0 424.379 4.075 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2csc(I)c2)cc1[N+](=O)[O-] ZINC000487975382 902500345 /nfs/dbraw/zinc/50/03/45/902500345.db2.gz BTFYILIHFCUSRZ-SECBINFHSA-N 0 0 416.240 4.060 20 5 HIBDRN 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MAUSTRJBKLOWDJ-UHFFFAOYSA-N 0 0 415.858 4.350 20 5 HIBDRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000488102115 902604735 /nfs/dbraw/zinc/60/47/35/902604735.db2.gz GXGNEQVESDJBGW-NQIIRXRSSA-N 0 0 403.523 4.012 20 5 HIBDRN COC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000488124371 902622789 /nfs/dbraw/zinc/62/27/89/902622789.db2.gz JMIIVTBXNSEEIT-FQEVSTJZSA-N 0 0 420.896 4.312 20 5 HIBDRN O=C(NC[C@@H](CO)c1ccccc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488143653 902637698 /nfs/dbraw/zinc/63/76/98/902637698.db2.gz DXJYFWNSAYHJQV-SFHVURJKSA-N 0 0 408.479 4.252 20 5 HIBDRN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000488171860 902662644 /nfs/dbraw/zinc/66/26/44/902662644.db2.gz PKAIDNXBIKVVMO-SSEXGKCCSA-N 0 0 424.478 4.397 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(COC2CCOCC2)c1 ZINC000488215960 902696149 /nfs/dbraw/zinc/69/61/49/902696149.db2.gz LLZPBAIVZMSNNN-UHFFFAOYSA-N 0 0 412.486 4.043 20 5 HIBDRN 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ZINC000488372395 902785567 /nfs/dbraw/zinc/78/55/67/902785567.db2.gz ORSPAQWBYHZCOW-SJCJKPOMSA-N 0 0 409.895 4.024 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000488410600 902814630 /nfs/dbraw/zinc/81/46/30/902814630.db2.gz ZBKIRIUXYWDGBC-UHFFFAOYSA-N 0 0 424.862 4.010 20 5 HIBDRN O=C(NCc1ccc(Br)c(F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488411249 902814816 /nfs/dbraw/zinc/81/48/16/902814816.db2.gz NTHUMQUMYIBDMG-UHFFFAOYSA-N 0 0 419.153 4.028 20 5 HIBDRN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Oc1cccc(C)c1 ZINC000488427560 902822417 /nfs/dbraw/zinc/82/24/17/902822417.db2.gz GCVWZDLCYZBIJD-AWEZNQCLSA-N 0 0 407.264 4.253 20 5 HIBDRN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Oc1cccc(C)c1 ZINC000488427561 902822701 /nfs/dbraw/zinc/82/27/01/902822701.db2.gz GCVWZDLCYZBIJD-CQSZACIVSA-N 0 0 407.264 4.253 20 5 HIBDRN CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000488431450 902823279 /nfs/dbraw/zinc/82/32/79/902823279.db2.gz AYWPXJIQYZZXLE-UHFFFAOYSA-N 0 0 415.247 4.210 20 5 HIBDRN COc1ccc(CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H](C)C2CC2)cc1 ZINC000488432221 902823374 /nfs/dbraw/zinc/82/33/74/902823374.db2.gz DJWMQXFFDUJJSI-INIZCTEOSA-N 0 0 420.469 4.230 20 5 HIBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCOC)c1ccc(OC)cc1 ZINC000488448359 902829711 /nfs/dbraw/zinc/82/97/11/902829711.db2.gz ARXXFFGTXVOADV-GOSISDBHSA-N 0 0 404.488 4.223 20 5 HIBDRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000488476156 902845666 /nfs/dbraw/zinc/84/56/66/902845666.db2.gz IWJWKGQHMOZRCL-ZWNOBZJWSA-N 0 0 412.393 4.289 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1csc(-c2ccccn2)n1 ZINC000488540749 902875911 /nfs/dbraw/zinc/87/59/11/902875911.db2.gz HGRGSAIGOLBEBR-UHFFFAOYSA-N 0 0 423.376 4.454 20 5 HIBDRN COCC1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000488651699 902919276 /nfs/dbraw/zinc/91/92/76/902919276.db2.gz AGWWUWDNLFPIGH-HXUWFJFHSA-N 0 0 417.893 4.286 20 5 HIBDRN COC[C@H](NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000488786742 902999459 /nfs/dbraw/zinc/99/94/59/902999459.db2.gz QOWDFBYYRAJPPB-AWEZNQCLSA-N 0 0 416.808 4.336 20 5 HIBDRN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000488788811 903001995 /nfs/dbraw/zinc/00/19/95/903001995.db2.gz YTTUTDADQXXXID-JTQLQIEISA-N 0 0 407.858 4.107 20 5 HIBDRN CCCCCC(=O)Nc1ccc(C(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000488824951 903027408 /nfs/dbraw/zinc/02/74/08/903027408.db2.gz KITKNFQVIKOHDJ-UHFFFAOYSA-N 0 0 421.457 4.255 20 5 HIBDRN O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(OCc2ccccc2)cc1 ZINC000488830120 903029310 /nfs/dbraw/zinc/02/93/10/903029310.db2.gz PISDQTYNWBLPHW-UHFFFAOYSA-N 0 0 414.421 4.315 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2nc3cc(F)ccc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000488923198 903078073 /nfs/dbraw/zinc/07/80/73/903078073.db2.gz YBLFYWYBZHHKMQ-LBPRGKRZSA-N 0 0 420.404 4.431 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000488976141 903102299 /nfs/dbraw/zinc/10/22/99/903102299.db2.gz FJNWFJHIMJSJTH-MAUKXSAKSA-N 0 0 410.561 4.080 20 5 HIBDRN Cc1cc(N[C@@H](CO)c2ccc(Br)cc2)c2cccc([N+](=O)[O-])c2n1 ZINC000489027169 903133326 /nfs/dbraw/zinc/13/33/26/903133326.db2.gz RLNDYAJVJXQZJQ-INIZCTEOSA-N 0 0 402.248 4.359 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000489061441 903165829 /nfs/dbraw/zinc/16/58/29/903165829.db2.gz IMOWXXQPFAYWIU-AWEZNQCLSA-N 0 0 403.479 4.245 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1cccc(OC)c1 ZINC000489092676 903192053 /nfs/dbraw/zinc/19/20/53/903192053.db2.gz GJJDMHCYICIHOQ-UHFFFAOYSA-N 0 0 418.515 4.050 20 5 HIBDRN Cc1nn(CCC(=O)N(c2nccs2)c2ccc(F)c(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000489104803 903199458 /nfs/dbraw/zinc/19/94/58/903199458.db2.gz RMMAUOKCUGJJKJ-UHFFFAOYSA-N 0 0 423.857 4.412 20 5 HIBDRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000489121841 903211225 /nfs/dbraw/zinc/21/12/25/903211225.db2.gz JAVNPWWPYCACEG-OAHLLOKOSA-N 0 0 413.474 4.100 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000489146584 903230240 /nfs/dbraw/zinc/23/02/40/903230240.db2.gz FANYHSMCKUNQJU-CQSZACIVSA-N 0 0 411.437 4.097 20 5 HIBDRN CCOc1cc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000489249511 903285720 /nfs/dbraw/zinc/28/57/20/903285720.db2.gz HQURQAHSIFHZCQ-ZDUSSCGKSA-N 0 0 423.416 4.464 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000489282939 903307140 /nfs/dbraw/zinc/30/71/40/903307140.db2.gz UUSVJRPKAQTYHH-HXUWFJFHSA-N 0 0 404.470 4.408 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000489308622 903322920 /nfs/dbraw/zinc/32/29/20/903322920.db2.gz ZHCHJVXLNBKOJJ-QGZVFWFLSA-N 0 0 421.501 4.390 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1[N+](=O)[O-] ZINC000489308795 903323947 /nfs/dbraw/zinc/32/39/47/903323947.db2.gz ZUKWFDVPICZBRM-MRXNPFEDSA-N 0 0 419.485 4.138 20 5 HIBDRN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000506026464 914707626 /nfs/dbraw/zinc/70/76/26/914707626.db2.gz KQMRKGYNSBSYBY-UHFFFAOYSA-N 0 0 424.545 4.091 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000489344751 903339360 /nfs/dbraw/zinc/33/93/60/903339360.db2.gz ZELMZSADARJRSH-KPOBHBOGSA-N 0 0 401.438 4.323 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000489384282 903356285 /nfs/dbraw/zinc/35/62/85/903356285.db2.gz ISFZUJMTWWUZGR-UHFFFAOYSA-N 0 0 402.834 4.072 20 5 HIBDRN CCn1c(SCc2ccsc2C(=O)OC)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489412831 903373264 /nfs/dbraw/zinc/37/32/64/903373264.db2.gz XLQPKIXWTLSLSO-UHFFFAOYSA-N 0 0 404.473 4.014 20 5 HIBDRN Cc1ccc([C@H](OC[C@H](O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)c2ccccc2)cc1 ZINC000489418600 903375059 /nfs/dbraw/zinc/37/50/59/903375059.db2.gz NMRHQGCGIUXXME-NFBKMPQASA-N 0 0 407.470 4.144 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000489452841 903391695 /nfs/dbraw/zinc/39/16/95/903391695.db2.gz XNVDIOGBUPYERQ-UHFFFAOYSA-N 0 0 412.427 4.259 20 5 HIBDRN CC(C)(C)OC(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000489518335 903434253 /nfs/dbraw/zinc/43/42/53/903434253.db2.gz LVDNAPHBSCOAQJ-UHFFFAOYSA-N 0 0 402.472 4.208 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1COc2ccc(Cl)cc21 ZINC000489518640 903434311 /nfs/dbraw/zinc/43/43/11/903434311.db2.gz SUXNKVICLKCOLF-CQSZACIVSA-N 0 0 401.831 4.486 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1cc2ccccc2s1 ZINC000489570614 903469882 /nfs/dbraw/zinc/46/98/82/903469882.db2.gz WJVXQGUKIJYMDS-UHFFFAOYSA-N 0 0 405.273 4.431 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000489575579 903472988 /nfs/dbraw/zinc/47/29/88/903472988.db2.gz WAVTUKNXNCJJOO-MAUKXSAKSA-N 0 0 400.454 4.072 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000489575580 903473041 /nfs/dbraw/zinc/47/30/41/903473041.db2.gz WAVTUKNXNCJJOO-QAPCUYQASA-N 0 0 400.454 4.072 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000489630810 903508336 /nfs/dbraw/zinc/50/83/36/903508336.db2.gz BBYKIZYDYXGCKT-UHFFFAOYSA-N 0 0 422.460 4.121 20 5 HIBDRN O=C(NCc1cc(Br)cs1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489659505 903526131 /nfs/dbraw/zinc/52/61/31/903526131.db2.gz PFPIWEPCWNNNQY-UHFFFAOYSA-N 0 0 410.293 4.293 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 ZINC000489676013 903538175 /nfs/dbraw/zinc/53/81/75/903538175.db2.gz GIHXEJVTJFLJMX-GFCCVEGCSA-N 0 0 415.450 4.132 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(C)cc(C)c2Br)c(C)c([N+](=O)[O-])c1 ZINC000489751020 903578164 /nfs/dbraw/zinc/57/81/64/903578164.db2.gz BDAGQAXHMVJMPG-UHFFFAOYSA-N 0 0 421.247 4.321 20 5 HIBDRN Cc1nc2ccccc2n1CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489783643 903597265 /nfs/dbraw/zinc/59/72/65/903597265.db2.gz YVWBNHUTRRSYMU-UHFFFAOYSA-N 0 0 407.474 4.017 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000489871018 903641880 /nfs/dbraw/zinc/64/18/80/903641880.db2.gz LCPIFXCFKFKNSO-UHFFFAOYSA-N 0 0 424.482 4.351 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000489910514 903668556 /nfs/dbraw/zinc/66/85/56/903668556.db2.gz NBWYBLYVEJVPEW-ZIAGYGMSSA-N 0 0 417.462 4.050 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-n2ccnc2)ccn1 ZINC000489911319 903668902 /nfs/dbraw/zinc/66/89/02/903668902.db2.gz RMWKEMBSUFWXIC-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN CN1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000489914243 903670783 /nfs/dbraw/zinc/67/07/83/903670783.db2.gz ASEKAJKIWHXENO-PKOBYXMFSA-N 0 0 416.909 4.228 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000489959086 903698379 /nfs/dbraw/zinc/69/83/79/903698379.db2.gz RMIFJSSSFAMOLA-MAUKXSAKSA-N 0 0 400.500 4.352 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000489976796 903707687 /nfs/dbraw/zinc/70/76/87/903707687.db2.gz ASQQVQVBDQLKBY-UHFFFAOYSA-N 0 0 409.467 4.169 20 5 HIBDRN COc1cc(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)ccc1[N+](=O)[O-] ZINC000489975999 903707692 /nfs/dbraw/zinc/70/76/92/903707692.db2.gz FCAKPBYDIRNJTE-INIZCTEOSA-N 0 0 412.421 4.172 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cncnc2)cc1 ZINC000489985506 903712995 /nfs/dbraw/zinc/71/29/95/903712995.db2.gz XAHUGSDZZKEYTI-UHFFFAOYSA-N 0 0 410.455 4.043 20 5 HIBDRN COc1cc(Br)ccc1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000490005948 903720946 /nfs/dbraw/zinc/72/09/46/903720946.db2.gz RIGYOHLICBXEDM-UHFFFAOYSA-N 0 0 411.277 4.018 20 5 HIBDRN O=C(NCc1ccco1)c1cccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490028959 903731938 /nfs/dbraw/zinc/73/19/38/903731938.db2.gz VDYBIJCXTDOIAM-UHFFFAOYSA-N 0 0 405.454 4.282 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000490054482 903745881 /nfs/dbraw/zinc/74/58/81/903745881.db2.gz CHPLZVQHHCVBCG-UHFFFAOYSA-N 0 0 406.320 4.392 20 5 HIBDRN Cn1cc(C(=O)NCc2ccc(C(C)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000490115688 903773627 /nfs/dbraw/zinc/77/36/27/903773627.db2.gz YJCPPWNMAGKDRJ-UHFFFAOYSA-N 0 0 400.385 4.037 20 5 HIBDRN Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1NC(=O)c1ccco1 ZINC000490120202 903777163 /nfs/dbraw/zinc/77/71/63/903777163.db2.gz ZPYGJMHFVLTRFO-UHFFFAOYSA-N 0 0 408.414 4.189 20 5 HIBDRN CC[C@@H](NC(=O)CCSc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000490129280 903782449 /nfs/dbraw/zinc/78/24/49/903782449.db2.gz PDSHQZPAQLENFF-QGZVFWFLSA-N 0 0 402.472 4.116 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CCO)c1ccccc1 ZINC000490156388 903798105 /nfs/dbraw/zinc/79/81/05/903798105.db2.gz VTMJQNZXHYDCLK-KRWDZBQOSA-N 0 0 402.516 4.239 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CCO)c1ccccc1 ZINC000490156389 903798510 /nfs/dbraw/zinc/79/85/10/903798510.db2.gz VTMJQNZXHYDCLK-QGZVFWFLSA-N 0 0 402.516 4.239 20 5 HIBDRN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000490288797 903877369 /nfs/dbraw/zinc/87/73/69/903877369.db2.gz QJXJNVJTXRJQTI-ZDUSSCGKSA-N 0 0 403.866 4.059 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000490297716 903885110 /nfs/dbraw/zinc/88/51/10/903885110.db2.gz DEKWUJFQNCGBGC-UHFFFAOYSA-N 0 0 403.320 4.083 20 5 HIBDRN CCNC(=O)Nc1ccc(C)c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000490314157 903894263 /nfs/dbraw/zinc/89/42/63/903894263.db2.gz GYWGUQRNVGCBSN-UHFFFAOYSA-N 0 0 413.478 4.487 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000490341629 903934270 /nfs/dbraw/zinc/93/42/70/903934270.db2.gz FNLGLOJCCHNKNM-LAHYYIKRSA-N 0 0 402.457 4.329 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000490361662 903954382 /nfs/dbraw/zinc/95/43/82/903954382.db2.gz FFVQIQQGESBOQO-KBPBESRZSA-N 0 0 417.347 4.141 20 5 HIBDRN CN(CCOCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000490364219 903955901 /nfs/dbraw/zinc/95/59/01/903955901.db2.gz ITGOUOAMLNLWMC-UHFFFAOYSA-N 0 0 419.481 4.496 20 5 HIBDRN CC1(C)CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 ZINC000490364798 903957284 /nfs/dbraw/zinc/95/72/84/903957284.db2.gz HISIPIQESQBVLJ-MRXNPFEDSA-N 0 0 408.380 4.301 20 5 HIBDRN O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000490365189 903957307 /nfs/dbraw/zinc/95/73/07/903957307.db2.gz JJWNGAFXNVCZKY-CQSZACIVSA-N 0 0 405.336 4.055 20 5 HIBDRN Cc1cc(C)c(C(=O)CCCC(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c(C)c1 ZINC000490375726 903968749 /nfs/dbraw/zinc/96/87/49/903968749.db2.gz WRKDQCJVDSEKGV-UHFFFAOYSA-N 0 0 421.457 4.297 20 5 HIBDRN COc1cc(CNc2cc(NC(C)=O)ccc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490380727 903973747 /nfs/dbraw/zinc/97/37/47/903973747.db2.gz ZFTUHTMRHSDMSS-UHFFFAOYSA-N 0 0 409.389 4.126 20 5 HIBDRN COc1ccc(Cn2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 ZINC000490393364 903980260 /nfs/dbraw/zinc/98/02/60/903980260.db2.gz KZQGRCUNQCSBFG-UHFFFAOYSA-N 0 0 420.347 4.119 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1OCc1cccc(Cl)c1 ZINC000490393221 903980312 /nfs/dbraw/zinc/98/03/12/903980312.db2.gz GJHVZWOSWJGYAA-UHFFFAOYSA-N 0 0 400.822 4.121 20 5 HIBDRN COc1cc(CN2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000490402346 903985926 /nfs/dbraw/zinc/98/59/26/903985926.db2.gz NAZGCJDHYIQDFM-GUYCJALGSA-N 0 0 402.463 4.107 20 5 HIBDRN COc1cc(CN2CCc3c4ccccc4[nH]c3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490404901 903989389 /nfs/dbraw/zinc/98/93/89/903989389.db2.gz WKSFZYWDTMIVDV-UHFFFAOYSA-N 0 0 417.412 4.287 20 5 HIBDRN Cc1c(CNC(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)cccc1[N+](=O)[O-] ZINC000490448286 904016022 /nfs/dbraw/zinc/01/60/22/904016022.db2.gz VFJHRNVCXBMPMX-UHFFFAOYSA-N 0 0 421.335 4.294 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000506068891 914772625 /nfs/dbraw/zinc/77/26/25/914772625.db2.gz BONVAEXXFLZYBC-IBGZPJMESA-N 0 0 411.845 4.366 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 ZINC000506072064 914777768 /nfs/dbraw/zinc/77/77/68/914777768.db2.gz MYCLTULPFONZNF-LJQANCHMSA-N 0 0 411.845 4.366 20 5 HIBDRN Cc1nnc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C2)[nH]1 ZINC000490537316 904084448 /nfs/dbraw/zinc/08/44/48/904084448.db2.gz AYNXIGPIBSOUFK-HNNXBMFYSA-N 0 0 423.498 4.192 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000490548497 904092917 /nfs/dbraw/zinc/09/29/17/904092917.db2.gz WJQCRSXCVJUVIH-MRXNPFEDSA-N 0 0 415.247 4.211 20 5 HIBDRN CCOc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1Br ZINC000490595662 904124901 /nfs/dbraw/zinc/12/49/01/904124901.db2.gz UPBHOJJMABOOFD-UHFFFAOYSA-N 0 0 409.236 4.164 20 5 HIBDRN CCNc1ccc(Cl)cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000490722839 904192633 /nfs/dbraw/zinc/19/26/33/904192633.db2.gz WATULTIXERYQKO-UHFFFAOYSA-N 0 0 418.837 4.007 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](COC)c2ccc(Cl)cc2)cc1OC ZINC000490728366 904196256 /nfs/dbraw/zinc/19/62/56/904196256.db2.gz IFEKGWYCGNXWRI-KRWDZBQOSA-N 0 0 422.865 4.115 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000490824283 904269461 /nfs/dbraw/zinc/26/94/61/904269461.db2.gz UGGAEPWTSZNAIO-QHCPKHFHSA-N 0 0 423.513 4.322 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000490828553 904272656 /nfs/dbraw/zinc/27/26/56/904272656.db2.gz REWCQLCNOCIJCS-UHFFFAOYSA-N 0 0 419.469 4.101 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)C2)c1 ZINC000490827902 904272673 /nfs/dbraw/zinc/27/26/73/904272673.db2.gz OZPCPGJTYCKWNH-GOSISDBHSA-N 0 0 409.486 4.319 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000490829287 904274152 /nfs/dbraw/zinc/27/41/52/904274152.db2.gz RXYYMWMHXFMBQN-KRWDZBQOSA-N 0 0 422.363 4.188 20 5 HIBDRN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc21 ZINC000490882738 904300977 /nfs/dbraw/zinc/30/09/77/904300977.db2.gz IMGFNUGSUDMUHZ-UHFFFAOYSA-N 0 0 422.441 4.100 20 5 HIBDRN CC[C@@H](C)CN(CC)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000490887397 904304751 /nfs/dbraw/zinc/30/47/51/904304751.db2.gz WANNZZCRBIVLCR-CYBMUJFWSA-N 0 0 407.492 4.147 20 5 HIBDRN COc1ccccc1OC[C@@H](C)CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000490963113 904339771 /nfs/dbraw/zinc/33/97/71/904339771.db2.gz GMHBIXURYKSALK-KRWDZBQOSA-N 0 0 415.490 4.239 20 5 HIBDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000491053977 904397509 /nfs/dbraw/zinc/39/75/09/904397509.db2.gz AIDYMLHEINJNCL-UHFFFAOYSA-N 0 0 414.531 4.090 20 5 HIBDRN Cc1cnc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)o1 ZINC000491061408 904404826 /nfs/dbraw/zinc/40/48/26/904404826.db2.gz MRJPGHGIGXWDJA-UHFFFAOYSA-N 0 0 400.822 4.087 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 ZINC000491060869 904404963 /nfs/dbraw/zinc/40/49/63/904404963.db2.gz PCKSXWFQUMGEEE-UHFFFAOYSA-N 0 0 402.472 4.180 20 5 HIBDRN COc1ccc(CNC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1[N+](=O)[O-] ZINC000491197702 904479206 /nfs/dbraw/zinc/47/92/06/904479206.db2.gz XDMOZUYHCQBORO-UHFFFAOYSA-N 0 0 403.847 4.310 20 5 HIBDRN COc1cc(CN(C)Cc2nc3ccccc3o2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491247315 904501313 /nfs/dbraw/zinc/50/13/13/904501313.db2.gz BRHHUBJHNGXRQZ-UHFFFAOYSA-N 0 0 407.373 4.021 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC000491510285 904629924 /nfs/dbraw/zinc/62/99/24/904629924.db2.gz RKQVQEHUWLVCTJ-UHFFFAOYSA-N 0 0 416.499 4.273 20 5 HIBDRN CCC[C@@]1(C(F)(F)F)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000491511688 904631094 /nfs/dbraw/zinc/63/10/94/904631094.db2.gz IJTKOQCDICCPAN-INIZCTEOSA-N 0 0 417.409 4.029 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000491536390 904642372 /nfs/dbraw/zinc/64/23/72/904642372.db2.gz BNLMZUGCQOSESU-UHFFFAOYSA-N 0 0 416.547 4.171 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)Nc2c(F)cc(Br)cc2F)cc1[N+](=O)[O-] ZINC000491572642 904656806 /nfs/dbraw/zinc/65/68/06/904656806.db2.gz OAIQDAHNFIKLGF-UHFFFAOYSA-N 0 0 421.219 4.053 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)Nc2cccc(COCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000491603529 904671122 /nfs/dbraw/zinc/67/11/22/904671122.db2.gz DLDXNXWGIFURDU-UHFFFAOYSA-N 0 0 416.455 4.322 20 5 HIBDRN CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000506172288 914833010 /nfs/dbraw/zinc/83/30/10/914833010.db2.gz ZIZRARJGRZSKLH-UHFFFAOYSA-N 0 0 412.627 4.221 20 5 HIBDRN CCOc1cc(CN[C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000491613754 904677431 /nfs/dbraw/zinc/67/74/31/904677431.db2.gz UXIVCADNSDYSAT-QGZVFWFLSA-N 0 0 413.257 4.304 20 5 HIBDRN CC(=O)Nc1ccc(Br)cc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000506183680 914836963 /nfs/dbraw/zinc/83/69/63/914836963.db2.gz NHGWHRXVWLXKJC-UHFFFAOYSA-N 0 0 424.276 4.047 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)cc([N+](=O)[O-])c1 ZINC000491903348 904725820 /nfs/dbraw/zinc/72/58/20/904725820.db2.gz VTSAPMFZDHUGJJ-MRXNPFEDSA-N 0 0 422.359 4.468 20 5 HIBDRN CCOc1cc(CSc2nnc([C@H]3COc4ccccc4O3)o2)ccc1[N+](=O)[O-] ZINC000491938837 904737535 /nfs/dbraw/zinc/73/75/35/904737535.db2.gz UYCSLOOWTRRQFZ-QGZVFWFLSA-N 0 0 415.427 4.181 20 5 HIBDRN CN1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000492265259 904826010 /nfs/dbraw/zinc/82/60/10/904826010.db2.gz DGIWKEQIACLOOV-IEBWSBKVSA-N 0 0 401.894 4.087 20 5 HIBDRN COc1cc(CNCc2ccc3ccccc3n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492267336 904826728 /nfs/dbraw/zinc/82/67/28/904826728.db2.gz HAEQCWIQGRRXCJ-UHFFFAOYSA-N 0 0 403.385 4.085 20 5 HIBDRN COc1cc([C@@H](NCc2ccccc2[N+](=O)[O-])C(F)(F)F)cc(OC)c1OC ZINC000492493447 904859484 /nfs/dbraw/zinc/85/94/84/904859484.db2.gz YKYUYLYPTDHVMJ-QGZVFWFLSA-N 0 0 400.353 4.014 20 5 HIBDRN CCOc1cc(CNc2cc(Cl)ccc2C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000492531658 904863773 /nfs/dbraw/zinc/86/37/73/904863773.db2.gz GRHOKCLPFUVUQB-UHFFFAOYSA-N 0 0 403.866 4.495 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000506227837 914852718 /nfs/dbraw/zinc/85/27/18/914852718.db2.gz RGCBPAZBKZPEQV-SFHVURJKSA-N 0 0 400.504 4.192 20 5 HIBDRN CCOc1cc(CN(C)Cc2cc(OC)c(OC)cc2SC)ccc1[N+](=O)[O-] ZINC000492776584 904901467 /nfs/dbraw/zinc/90/14/67/904901467.db2.gz UUAZAOUTIGLQBS-UHFFFAOYSA-N 0 0 406.504 4.365 20 5 HIBDRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000492815013 904911297 /nfs/dbraw/zinc/91/12/97/904911297.db2.gz CJGCJVLPDCCPCV-KRWDZBQOSA-N 0 0 410.470 4.075 20 5 HIBDRN CN(CC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000492815932 904913456 /nfs/dbraw/zinc/91/34/56/904913456.db2.gz FVFSCUAOWCIVDH-UHFFFAOYSA-N 0 0 416.481 4.284 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000492963662 904968107 /nfs/dbraw/zinc/96/81/07/904968107.db2.gz SWHZHTXVYHMSNF-KRWDZBQOSA-N 0 0 424.501 4.341 20 5 HIBDRN CS(=O)(=O)Cc1ccccc1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493233460 905057650 /nfs/dbraw/zinc/05/76/50/905057650.db2.gz UVUSYGVAFJKURZ-QFIPXVFZSA-N 0 0 410.495 4.019 20 5 HIBDRN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000493234799 905060660 /nfs/dbraw/zinc/06/06/60/905060660.db2.gz GWUTWTWYRISBEN-SFHVURJKSA-N 0 0 422.485 4.030 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] ZINC000493237252 905061915 /nfs/dbraw/zinc/06/19/15/905061915.db2.gz MDWHKNWFIUMPRK-OAHLLOKOSA-N 0 0 405.458 4.339 20 5 HIBDRN COCCN(Cc1ccc(Br)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000493285553 905077237 /nfs/dbraw/zinc/07/72/37/905077237.db2.gz YPSKHMYQGRIOII-UHFFFAOYSA-N 0 0 414.281 4.099 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] ZINC000493286206 905078479 /nfs/dbraw/zinc/07/84/79/905078479.db2.gz ZYKVNMWLJBOQEQ-OAHLLOKOSA-N 0 0 407.474 4.430 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000493411072 905110550 /nfs/dbraw/zinc/11/05/50/905110550.db2.gz RTHFMSQJXSLEBN-OAHLLOKOSA-N 0 0 419.306 4.028 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000493466099 905129495 /nfs/dbraw/zinc/12/94/95/905129495.db2.gz PSYWZIYYYGQWMU-HNNXBMFYSA-N 0 0 422.281 4.298 20 5 HIBDRN CCOc1cc(C(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC ZINC000512386931 921123425 /nfs/dbraw/zinc/12/34/25/921123425.db2.gz QKFLRYJIYVSWBS-FQEVSTJZSA-N 0 0 422.840 4.366 20 5 HIBDRN CC(C)Oc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1Cl ZINC000493884674 905243158 /nfs/dbraw/zinc/24/31/58/905243158.db2.gz ZMLHDDKPFPKDNR-UHFFFAOYSA-N 0 0 423.922 4.055 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000493932156 905283415 /nfs/dbraw/zinc/28/34/15/905283415.db2.gz AXYITNWDBVMGJM-NSHDSACASA-N 0 0 410.257 4.334 20 5 HIBDRN CCn1cnnc1-c1ccccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494097518 905430215 /nfs/dbraw/zinc/43/02/15/905430215.db2.gz HNMFWRZRXPTPTD-UHFFFAOYSA-N 0 0 406.446 4.070 20 5 HIBDRN COCCN(Cc1cc(Br)cs1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000494097993 905430273 /nfs/dbraw/zinc/43/02/73/905430273.db2.gz KDSMEMFNFCXWGO-UHFFFAOYSA-N 0 0 415.309 4.076 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](CC)c2ccccc2OC(F)F)c([N+](=O)[O-])cc1OC ZINC000512421242 921147988 /nfs/dbraw/zinc/14/79/88/921147988.db2.gz IQEDOUNFIMKLEI-AWEZNQCLSA-N 0 0 424.400 4.485 20 5 HIBDRN CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000494110262 905457587 /nfs/dbraw/zinc/45/75/87/905457587.db2.gz ASIUUMCFVWXYDO-UHFFFAOYSA-N 0 0 412.471 4.466 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000494132807 905476449 /nfs/dbraw/zinc/47/64/49/905476449.db2.gz AUOFSOSZOHAYEB-UHFFFAOYSA-N 0 0 412.215 4.169 20 5 HIBDRN COCCN(Cc1cc(Br)cs1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000494147212 905485547 /nfs/dbraw/zinc/48/55/47/905485547.db2.gz ZGGYJRYDNXLFRW-UHFFFAOYSA-N 0 0 415.309 4.076 20 5 HIBDRN 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CCOc1cc(C(=O)N2CCSc3ccc(Cl)cc32)c([N+](=O)[O-])cc1OC ZINC000501691063 910760627 /nfs/dbraw/zinc/76/06/27/910760627.db2.gz STCYYQUJPMGJCZ-UHFFFAOYSA-N 0 0 408.863 4.408 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000513180773 921603851 /nfs/dbraw/zinc/60/38/51/921603851.db2.gz IHCUYKGVMAVKOS-UZLBHIALSA-N 0 0 420.469 4.139 20 5 HIBDRN CC(C)c1oc([C@@H]2CCCN2C(=O)c2c([N+](=O)[O-])cnn2C)nc1-c1ccccc1 ZINC000501726902 910790085 /nfs/dbraw/zinc/79/00/85/910790085.db2.gz CUVDRHDEPRNCIX-HNNXBMFYSA-N 0 0 409.446 4.084 20 5 HIBDRN CC(C)c1ccc(CN2CCOC[C@@H]2c2noc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000501725444 910790767 /nfs/dbraw/zinc/79/07/67/910790767.db2.gz BEBKSPVYZINLMI-HXUWFJFHSA-N 0 0 408.458 4.342 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000501773507 910828417 /nfs/dbraw/zinc/82/84/17/910828417.db2.gz DLLCSOSJTOKKRI-LJQANCHMSA-N 0 0 411.506 4.168 20 5 HIBDRN Cc1c(C(=O)N2CC3(CCCC3)c3c2cccc3F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000501796745 910848804 /nfs/dbraw/zinc/84/88/04/910848804.db2.gz OBONUKJDUKELHJ-UHFFFAOYSA-N 0 0 421.432 4.095 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC000501796727 910849289 /nfs/dbraw/zinc/84/92/89/910849289.db2.gz NSQNYJZNNWHTNU-AWEZNQCLSA-N 0 0 400.366 4.134 20 5 HIBDRN CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)no1 ZINC000501798995 910850372 /nfs/dbraw/zinc/85/03/72/910850372.db2.gz OAMBKRAUIGYNMF-SFHVURJKSA-N 0 0 424.461 4.044 20 5 HIBDRN CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)no1 ZINC000501798993 910850730 /nfs/dbraw/zinc/85/07/30/910850730.db2.gz OAMBKRAUIGYNMF-GOSISDBHSA-N 0 0 424.461 4.044 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000501836401 910877883 /nfs/dbraw/zinc/87/78/83/910877883.db2.gz WLEZTLFPMROWFY-HNNXBMFYSA-N 0 0 424.461 4.249 20 5 HIBDRN CCOc1ccc(C(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)cc1[N+](=O)[O-] ZINC000501930675 910921819 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DFGQPGOAJKPABN-CYBMUJFWSA-N 0 0 415.446 4.373 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000502128474 911056869 /nfs/dbraw/zinc/05/68/69/911056869.db2.gz SIIHKUXYBLRAET-ZDUSSCGKSA-N 0 0 412.471 4.287 20 5 HIBDRN Cc1c[nH]c(=O)n1-c1ccc([C@H](C)Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1 ZINC000502292554 911249868 /nfs/dbraw/zinc/24/98/68/911249868.db2.gz HSNGZBAPKLJXGV-HNNXBMFYSA-N 0 0 423.473 4.106 20 5 HIBDRN COc1ccc([C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2OC)cc1 ZINC000502354572 911336972 /nfs/dbraw/zinc/33/69/72/911336972.db2.gz NHZRRIWMBBWXQK-HSZRJFAPSA-N 0 0 406.438 4.060 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000502355338 911337329 /nfs/dbraw/zinc/33/73/29/911337329.db2.gz PLRYKNJBPQWJCS-UONOGXRCSA-N 0 0 419.503 4.147 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000502378617 911366207 /nfs/dbraw/zinc/36/62/07/911366207.db2.gz LMQZBUZSYJPVKB-NSHDSACASA-N 0 0 403.287 4.424 20 5 HIBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000502439671 911424311 /nfs/dbraw/zinc/42/43/11/911424311.db2.gz BOBXTVSXZUANCG-CYBMUJFWSA-N 0 0 413.503 4.108 20 5 HIBDRN COc1ccc(C(=O)N(Cc2csc(Br)c2)C2CC2)cc1[N+](=O)[O-] ZINC000502460419 911446380 /nfs/dbraw/zinc/44/63/80/911446380.db2.gz HOTPJEOCQDZJNA-UHFFFAOYSA-N 0 0 411.277 4.232 20 5 HIBDRN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000502479447 911476218 /nfs/dbraw/zinc/47/62/18/911476218.db2.gz AAHJFARGQDYLOP-YPMHNXCESA-N 0 0 422.268 4.132 20 5 HIBDRN COc1ccc(N(C#N)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000502486701 911486229 /nfs/dbraw/zinc/48/62/29/911486229.db2.gz JJLFDIIYXBXSRY-UHFFFAOYSA-N 0 0 413.764 4.354 20 5 HIBDRN C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000502520373 911524977 /nfs/dbraw/zinc/52/49/77/911524977.db2.gz OVJBNTMWFNWUBA-CYBMUJFWSA-N 0 0 418.906 4.317 20 5 HIBDRN COc1cc(C(=O)N2CCCc3cccc(Cl)c32)c([N+](=O)[O-])cc1OC(F)F ZINC000502763634 911786061 /nfs/dbraw/zinc/78/60/61/911786061.db2.gz VXRHFJIMVSPLML-UHFFFAOYSA-N 0 0 412.776 4.451 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000502792601 911814741 /nfs/dbraw/zinc/81/47/41/911814741.db2.gz IBUZSRYWYDIWRF-SCLBCKFNSA-N 0 0 424.375 4.138 20 5 HIBDRN Cc1nn(CC(=O)N[C@H](c2cccs2)c2ccccc2)c2ccc([N+](=O)[O-])cc12 ZINC000502859994 911867983 /nfs/dbraw/zinc/86/79/83/911867983.db2.gz FYTOCVHXPTXEPC-NRFANRHFSA-N 0 0 406.467 4.220 20 5 HIBDRN COc1cc(CSc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000502900825 911891523 /nfs/dbraw/zinc/89/15/23/911891523.db2.gz YPVXEBFNBHWOKX-UHFFFAOYSA-N 0 0 422.413 4.325 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1cccc2ccccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000502907574 911894237 /nfs/dbraw/zinc/89/42/37/911894237.db2.gz OWFCACSVGHRSDS-RTWAWAEBSA-N 0 0 401.466 4.200 20 5 HIBDRN Cc1c(CNC(=O)NCc2ccncc2OCCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000503088725 912058191 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401.513 4.416 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000503175198 912151625 /nfs/dbraw/zinc/15/16/25/912151625.db2.gz FRNZCJGMFAAIJI-UHFFFAOYSA-N 0 0 419.466 4.176 20 5 HIBDRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000503195161 912173135 /nfs/dbraw/zinc/17/31/35/912173135.db2.gz OFGZNVHDRNLODQ-UHFFFAOYSA-N 0 0 408.458 4.088 20 5 HIBDRN C[C@@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000503215437 912196168 /nfs/dbraw/zinc/19/61/68/912196168.db2.gz GKXMHHSOBRITPI-SNVBAGLBSA-N 0 0 421.791 4.258 20 5 HIBDRN CCc1ccc(-n2nc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c3c2CCC3)cc1 ZINC000503215770 912199109 /nfs/dbraw/zinc/19/91/09/912199109.db2.gz ISZWJCRXZMYPRS-OAHLLOKOSA-N 0 0 404.470 4.323 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000506324498 914927354 /nfs/dbraw/zinc/92/73/54/914927354.db2.gz VXFBYBUGNAIFSM-UHFFFAOYSA-N 0 0 401.202 4.180 20 5 HIBDRN COC(=O)c1ccc(C(F)(F)F)nc1SCc1c(F)cc([N+](=O)[O-])cc1F ZINC000506418368 915027800 /nfs/dbraw/zinc/02/78/00/915027800.db2.gz XFXLEJKDRHAVCO-UHFFFAOYSA-N 0 0 408.304 4.366 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000506464533 915063132 /nfs/dbraw/zinc/06/31/32/915063132.db2.gz XKNYEDYCRMCADY-OAHLLOKOSA-N 0 0 421.563 4.111 20 5 HIBDRN O=C(COc1c(Cl)cncc1[N+](=O)[O-])Nc1ccc(OCc2ccccc2)cc1 ZINC000506564619 915212723 /nfs/dbraw/zinc/21/27/23/915212723.db2.gz WBJLMTGYWGLPCN-UHFFFAOYSA-N 0 0 413.817 4.240 20 5 HIBDRN CCOc1cc(C(=O)NCCc2cc3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000506675465 915350900 /nfs/dbraw/zinc/35/09/00/915350900.db2.gz BYAFEYJQMHWPOU-UHFFFAOYSA-N 0 0 400.456 4.189 20 5 HIBDRN Cc1nc(C)c(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 ZINC000506802975 915543927 /nfs/dbraw/zinc/54/39/27/915543927.db2.gz FCXVIRGNZJLNJF-UHFFFAOYSA-N 0 0 400.426 4.009 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(-c4ccccc4Cl)o3)cc2N1 ZINC000506818403 915580633 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4.141 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1C(N)=O ZINC000507078036 915855930 /nfs/dbraw/zinc/85/59/30/915855930.db2.gz OFJIUEGHSFQJET-UHFFFAOYSA-N 0 0 417.487 4.234 20 5 HIBDRN COCCn1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000507110727 915874464 /nfs/dbraw/zinc/87/44/64/915874464.db2.gz GEXMYGOPXKQKAV-UHFFFAOYSA-N 0 0 416.821 4.136 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)no1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000507165035 915903294 /nfs/dbraw/zinc/90/32/94/915903294.db2.gz MQWBARLDLPNAFX-UHFFFAOYSA-N 0 0 419.441 4.364 20 5 HIBDRN CC[C@@H](C)[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000513440109 921808301 /nfs/dbraw/zinc/80/83/01/921808301.db2.gz PWSYWMRWNNRWMT-KZULUSFZSA-N 0 0 424.906 4.169 20 5 HIBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Oc1ccc(Cl)cc1 ZINC000507209775 915960972 /nfs/dbraw/zinc/96/09/72/915960972.db2.gz JMWLOZZDXOVRAB-JTQLQIEISA-N 0 0 402.756 4.464 20 5 HIBDRN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F ZINC000507246360 916007317 /nfs/dbraw/zinc/00/73/17/916007317.db2.gz ILBSNCQDNZIPRL-MNOVXSKESA-N 0 0 410.243 4.174 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc(OCc2ccccn2)cc1 ZINC000507564314 916320614 /nfs/dbraw/zinc/32/06/14/916320614.db2.gz XWXKHHSPTFHBHO-MRXNPFEDSA-N 0 0 403.438 4.089 20 5 HIBDRN CS(=O)(=O)c1cc(SCc2csc(Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000507650205 916410854 /nfs/dbraw/zinc/41/08/54/916410854.db2.gz LITGGQCUOBDTKY-UHFFFAOYSA-N 0 0 420.537 4.338 20 5 HIBDRN Cc1ccc2ccccc2c1CS(=O)(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000507704528 916488494 /nfs/dbraw/zinc/48/84/94/916488494.db2.gz FPUJYSKVQROUPS-UHFFFAOYSA-N 0 0 412.467 4.000 20 5 HIBDRN COc1cc(-c2noc(-c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)ccn1 ZINC000507703016 916488549 /nfs/dbraw/zinc/48/85/49/916488549.db2.gz NHRXYAASRSBSTO-ZDUSSCGKSA-N 0 0 418.413 4.284 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CCC(n4cc(Cl)cn4)CC3)cs2)c1 ZINC000507705551 916491158 /nfs/dbraw/zinc/49/11/58/916491158.db2.gz GATRKACZCKJXQX-UHFFFAOYSA-N 0 0 403.895 4.405 20 5 HIBDRN Cc1c(CS(=O)(=O)Cc2c(F)ccc(Br)c2F)cccc1[N+](=O)[O-] ZINC000507707693 916494710 /nfs/dbraw/zinc/49/47/10/916494710.db2.gz LMCGBVZAMFKVTR-UHFFFAOYSA-N 0 0 420.231 4.059 20 5 HIBDRN C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(F)c(Br)c1 ZINC000507738269 916532072 /nfs/dbraw/zinc/53/20/72/916532072.db2.gz TUOKAHPCEGXAIR-VIFPVBQESA-N 0 0 406.211 4.469 20 5 HIBDRN C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(F)c(Br)c1 ZINC000507739764 916533420 /nfs/dbraw/zinc/53/34/20/916533420.db2.gz XYWIJWQYYPGYFQ-VIFPVBQESA-N 0 0 406.211 4.469 20 5 HIBDRN O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000507833861 916636289 /nfs/dbraw/zinc/63/62/89/916636289.db2.gz PEURXOKZGJRFGW-UHFFFAOYSA-N 0 0 409.349 4.135 20 5 HIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000507842245 916653056 /nfs/dbraw/zinc/65/30/56/916653056.db2.gz 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ZINC000508322190 917128617 /nfs/dbraw/zinc/12/86/17/917128617.db2.gz NAFFJOMZBZGOOJ-MAUKXSAKSA-N 0 0 420.473 4.296 20 5 HIBDRN O=C(Nc1ccccc1)NC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000508337714 917140700 /nfs/dbraw/zinc/14/07/00/917140700.db2.gz DNCCJCJGOLOTLZ-UHFFFAOYSA-N 0 0 424.482 4.236 20 5 HIBDRN CCOC(=O)c1ccnc(N2CCc3c(Br)cccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000508356781 917157980 /nfs/dbraw/zinc/15/79/80/917157980.db2.gz YQXKLDGWEXNHDX-NSHDSACASA-N 0 0 420.263 4.053 20 5 HIBDRN COCc1nc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(-c2ccccc2)s1 ZINC000508374328 917174577 /nfs/dbraw/zinc/17/45/77/917174577.db2.gz GFAJUBJWXDPVFL-UHFFFAOYSA-N 0 0 422.466 4.276 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(Sc3ncccn3)cc2C)cc1[N+](=O)[O-] ZINC000508487289 917272479 /nfs/dbraw/zinc/27/24/79/917272479.db2.gz ILLQGKYRRDAEAY-UHFFFAOYSA-N 0 0 410.455 4.495 20 5 HIBDRN COc1ccc(-c2nc(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)cs2)cc1OC ZINC000508539045 917318978 /nfs/dbraw/zinc/31/89/78/917318978.db2.gz ROQYLBYDJWRLGP-UHFFFAOYSA-N 0 0 423.454 4.042 20 5 HIBDRN CCCc1c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cnn1-c1ccc(F)cc1 ZINC000508558458 917334195 /nfs/dbraw/zinc/33/41/95/917334195.db2.gz SZVYNEAMLGGUHW-UHFFFAOYSA-N 0 0 408.393 4.001 20 5 HIBDRN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000508629360 917394544 /nfs/dbraw/zinc/39/45/44/917394544.db2.gz JULWXSRSGHOITP-OAHLLOKOSA-N 0 0 424.284 4.396 20 5 HIBDRN COc1cc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)ccc1[N+](=O)[O-] ZINC000508759866 917515940 /nfs/dbraw/zinc/51/59/40/917515940.db2.gz AVMBKERKPGPYKK-UHFFFAOYSA-N 0 0 402.410 4.479 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(F)ccc1I ZINC000508766898 917523060 /nfs/dbraw/zinc/52/30/60/917523060.db2.gz ADVFYLXHOXOOSZ-UHFFFAOYSA-N 0 0 414.174 4.208 20 5 HIBDRN O=C(Nc1cccc(Cl)c1F)c1ccc([N+](=O)[O-])cc1I ZINC000508776954 917531024 /nfs/dbraw/zinc/53/10/24/917531024.db2.gz GFUSSNMUERNHSN-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1C ZINC000508803176 917559175 /nfs/dbraw/zinc/55/91/75/917559175.db2.gz SVHGNDCGPQIFSH-UHFFFAOYSA-N 0 0 410.211 4.175 20 5 HIBDRN CCc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000508899175 917654254 /nfs/dbraw/zinc/65/42/54/917654254.db2.gz NYYFQGOJLBHWBT-UHFFFAOYSA-N 0 0 410.211 4.323 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)c(F)c1 ZINC000509009935 917764019 /nfs/dbraw/zinc/76/40/19/917764019.db2.gz CLFBITDIILCNDZ-UHFFFAOYSA-N 0 0 414.174 4.208 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCCc2ccccc21 ZINC000509037294 917791825 /nfs/dbraw/zinc/79/18/25/917791825.db2.gz YCDHALAMIAUJJZ-UHFFFAOYSA-N 0 0 422.222 4.101 20 5 HIBDRN Cc1noc([C@@H](C)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000509105291 917845396 /nfs/dbraw/zinc/84/53/96/917845396.db2.gz CRSHLSLLLWHLAS-SNVBAGLBSA-N 0 0 402.794 4.223 20 5 HIBDRN Cc1ccccc1OCCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000509154815 917874529 /nfs/dbraw/zinc/87/45/29/917874529.db2.gz SLDSOZGSFZNLJU-KRWDZBQOSA-N 0 0 420.469 4.280 20 5 HIBDRN C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000509161149 917877651 /nfs/dbraw/zinc/87/76/51/917877651.db2.gz JMWZMOJLZMCHKR-GFCCVEGCSA-N 0 0 419.528 4.441 20 5 HIBDRN O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000509193763 917898678 /nfs/dbraw/zinc/89/86/78/917898678.db2.gz HCHKQRBJWCXKFB-UHFFFAOYSA-N 0 0 424.350 4.488 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000509261749 917951573 /nfs/dbraw/zinc/95/15/73/917951573.db2.gz DGPBLVUIRZCJRZ-LJQANCHMSA-N 0 0 419.268 4.394 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000509264480 917953409 /nfs/dbraw/zinc/95/34/09/917953409.db2.gz QJZCZADNNIJBSL-INIZCTEOSA-N 0 0 409.339 4.499 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000509264011 917953473 /nfs/dbraw/zinc/95/34/73/917953473.db2.gz OXDVACWOVLKTFV-UHFFFAOYSA-N 0 0 411.506 4.100 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)CSc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000509322239 917995962 /nfs/dbraw/zinc/99/59/62/917995962.db2.gz NNRIMOLCWHXCEX-CQSZACIVSA-N 0 0 404.488 4.360 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl ZINC000509360504 918026695 /nfs/dbraw/zinc/02/66/95/918026695.db2.gz WAQSMRNSAURGPO-UHFFFAOYSA-N 0 0 401.806 4.387 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3cncs3)CC2)s1 ZINC000509365938 918029364 /nfs/dbraw/zinc/02/93/64/918029364.db2.gz LNMAQTOMGUGSJI-UHFFFAOYSA-N 0 0 400.529 4.098 20 5 HIBDRN O=C(NC[C@H]1CCCCN1Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccccc1 ZINC000509393735 918059747 /nfs/dbraw/zinc/05/97/47/918059747.db2.gz RQEZCCBLAJXWHB-OAHLLOKOSA-N 0 0 404.417 4.049 20 5 HIBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccncc2F)n1)c1ccncc1F ZINC000509450362 918103679 /nfs/dbraw/zinc/10/36/79/918103679.db2.gz RHUYGJFZPNNVHJ-RYUDHWBXSA-N 0 0 400.389 4.404 20 5 HIBDRN C[C@@H](NC(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000509462203 918112735 /nfs/dbraw/zinc/11/27/35/918112735.db2.gz GMXLVGIQUOTOAG-CABCVRRESA-N 0 0 418.444 4.022 20 5 HIBDRN CC(=O)NCCN(Cc1ccc(C)s1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000509502703 918150508 /nfs/dbraw/zinc/15/05/08/918150508.db2.gz WXHLOFBITHFOCM-UHFFFAOYSA-N 0 0 410.499 4.169 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@H]1c1ccccc1 ZINC000509509969 918156661 /nfs/dbraw/zinc/15/66/61/918156661.db2.gz NEPTVSQARNLZMB-INIZCTEOSA-N 0 0 422.222 4.177 20 5 HIBDRN Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)c([N+](=O)[O-])c1 ZINC000509551211 918201263 /nfs/dbraw/zinc/20/12/63/918201263.db2.gz AKLBGGGILYXSHB-UHFFFAOYSA-N 0 0 403.391 4.030 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN([C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000509561070 918210532 /nfs/dbraw/zinc/21/05/32/918210532.db2.gz ZTDIKSZDHNGPDB-HNNXBMFYSA-N 0 0 420.469 4.201 20 5 HIBDRN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OCC(F)(F)F)cc1 ZINC000509598775 918248824 /nfs/dbraw/zinc/24/88/24/918248824.db2.gz GRBMUVCWDHTJRW-LBPRGKRZSA-N 0 0 412.364 4.253 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000509618199 918266847 /nfs/dbraw/zinc/26/68/47/918266847.db2.gz MVQRAWKMZMMUOX-UHFFFAOYSA-N 0 0 412.368 4.373 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(F)cc1F ZINC000509624748 918271846 /nfs/dbraw/zinc/27/18/46/918271846.db2.gz WCAZZPXZOHGNNO-UHFFFAOYSA-N 0 0 407.373 4.102 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000509652519 918288803 /nfs/dbraw/zinc/28/88/03/918288803.db2.gz KZTCIIAFTFJOOO-UHFFFAOYSA-N 0 0 418.247 4.045 20 5 HIBDRN COc1ccc(S(=O)(=O)N(C)Cc2ccccc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000509663098 918296735 /nfs/dbraw/zinc/29/67/35/918296735.db2.gz HMSRVCIAUICIJM-UHFFFAOYSA-N 0 0 412.467 4.091 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000509664811 918297774 /nfs/dbraw/zinc/29/77/74/918297774.db2.gz IPRFGSXRTMZDSJ-UHFFFAOYSA-N 0 0 424.501 4.319 20 5 HIBDRN CCOc1ccccc1CN(C)C(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-] ZINC000509680513 918311429 /nfs/dbraw/zinc/31/14/29/918311429.db2.gz GZJGPUFFGMEYBC-UHFFFAOYSA-N 0 0 417.462 4.455 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000509784729 918394331 /nfs/dbraw/zinc/39/43/31/918394331.db2.gz YSCKFKGBXCINOS-HNNXBMFYSA-N 0 0 422.890 4.130 20 5 HIBDRN COc1cc(C(=O)N2CC=C(c3ccccc3Cl)CC2)cc([N+](=O)[O-])c1OC ZINC000509786999 918395466 /nfs/dbraw/zinc/39/54/66/918395466.db2.gz MHGSDVSAEKXMKO-UHFFFAOYSA-N 0 0 402.834 4.195 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC000509839093 918441265 /nfs/dbraw/zinc/44/12/65/918441265.db2.gz NCPPKLUACCKVOR-UHFFFAOYSA-N 0 0 418.812 4.384 20 5 HIBDRN O=C(Nc1ccnc(Oc2ccccc2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000509883364 918485796 /nfs/dbraw/zinc/48/57/96/918485796.db2.gz KZMZPIDOSZSEBP-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)[C@H](C)C(C)C ZINC000509906137 918508898 /nfs/dbraw/zinc/50/88/98/918508898.db2.gz UZMMNHXZKPOQIZ-LLVKDONJSA-N 0 0 404.248 4.014 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000509913526 918513824 /nfs/dbraw/zinc/51/38/24/918513824.db2.gz ZGSZVLFXWIAIJI-QGZVFWFLSA-N 0 0 422.485 4.310 20 5 HIBDRN CC1(C)CC[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3CCC(C)(C)C3)c([N+](=O)[O-])c2)C1 ZINC000509978150 918567976 /nfs/dbraw/zinc/56/79/76/918567976.db2.gz XMENIRMHIQRGRV-CVEARBPZSA-N 0 0 401.507 4.212 20 5 HIBDRN CC[C@H](C(=O)OC)N(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000509982771 918570445 /nfs/dbraw/zinc/57/04/45/918570445.db2.gz MUSRHDWWFDLXNN-RDTXWAMCSA-N 0 0 402.472 4.060 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000510001921 918586176 /nfs/dbraw/zinc/58/61/76/918586176.db2.gz IVJMZZPKRGLHIE-HNNXBMFYSA-N 0 0 402.472 4.274 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000510004153 918587879 /nfs/dbraw/zinc/58/78/79/918587879.db2.gz HFCZBQIFFBBLOE-UHFFFAOYSA-N 0 0 421.251 4.059 20 5 HIBDRN Cc1c(Br)cc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000510041581 918612302 /nfs/dbraw/zinc/61/23/02/918612302.db2.gz PITRVDWMSCRFBH-RDTXWAMCSA-N 0 0 419.275 4.173 20 5 HIBDRN Cc1c(Br)cc(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000510058008 918627055 /nfs/dbraw/zinc/62/70/55/918627055.db2.gz RSIIOJUXHJKZGM-WBMJQRKESA-N 0 0 413.312 4.237 20 5 HIBDRN Cc1c(NC(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)cccc1[N+](=O)[O-] ZINC000510065378 918634037 /nfs/dbraw/zinc/63/40/37/918634037.db2.gz PEKLSNZXYQIDBX-CQSZACIVSA-N 0 0 404.417 4.092 20 5 HIBDRN O=C(Nc1cc(F)c(Br)cc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000510069527 918638966 /nfs/dbraw/zinc/63/89/66/918638966.db2.gz GVUPVFQLBLZZJM-UHFFFAOYSA-N 0 0 412.190 4.462 20 5 HIBDRN CCn1c2ccc(Br)cc2nc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000510175871 918726361 /nfs/dbraw/zinc/72/63/61/918726361.db2.gz MSVOXYNMYLBFAU-UHFFFAOYSA-N 0 0 407.199 4.118 20 5 HIBDRN COc1ccc(NC(=O)CN2C[C@H](C)CC[C@H]2c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000510215946 918762061 /nfs/dbraw/zinc/76/20/61/918762061.db2.gz XBMXELYFIIHFOG-BEFAXECRSA-N 0 0 413.474 4.024 20 5 HIBDRN Cc1csc([C@@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000510229995 918771276 /nfs/dbraw/zinc/77/12/76/918771276.db2.gz SBNJJLUZTSFZAC-AWEZNQCLSA-N 0 0 410.293 4.312 20 5 HIBDRN Cc1cnc([C@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000510262260 918793646 /nfs/dbraw/zinc/79/36/46/918793646.db2.gz ZVQNJPVWRLDIJD-CQSZACIVSA-N 0 0 410.293 4.312 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000510362037 918853332 /nfs/dbraw/zinc/85/33/32/918853332.db2.gz LZVQGOAFWMVKFW-KPZWWZAWSA-N 0 0 419.275 4.268 20 5 HIBDRN COc1ccc(CNC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000510470518 918926072 /nfs/dbraw/zinc/92/60/72/918926072.db2.gz INIDADRQJDVDGW-UHFFFAOYSA-N 0 0 413.817 4.374 20 5 HIBDRN C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000510523590 918968791 /nfs/dbraw/zinc/96/87/91/918968791.db2.gz MFYMNKGIQTXDNB-VXGBXAGGSA-N 0 0 416.259 4.146 20 5 HIBDRN Cc1nn(C)c(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c1[N+](=O)[O-] ZINC000510544564 918989644 /nfs/dbraw/zinc/98/96/44/918989644.db2.gz JDJGTRLGYUNJKL-UHFFFAOYSA-N 0 0 421.335 4.095 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000510716826 919158984 /nfs/dbraw/zinc/15/89/84/919158984.db2.gz FYZDUHHGPQUAJX-CJNGLKHVSA-N 0 0 421.400 4.486 20 5 HIBDRN COc1cc(C(=O)N(Cc2cccc(Br)c2)C2CC2)ccc1[N+](=O)[O-] ZINC000510763385 919215780 /nfs/dbraw/zinc/21/57/80/919215780.db2.gz BOZBMZPTSGTTEL-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN COc1cc(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)ccc1[N+](=O)[O-] ZINC000510790381 919258207 /nfs/dbraw/zinc/25/82/07/919258207.db2.gz ODKKXGVPKCZLSE-UHFFFAOYSA-N 0 0 423.238 4.310 20 5 HIBDRN COc1cc(C(=O)NCc2cccc(COCc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000510846133 919331496 /nfs/dbraw/zinc/33/14/96/919331496.db2.gz YQCQHTNUPMKAHA-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000510850801 919339300 /nfs/dbraw/zinc/33/93/00/919339300.db2.gz FLNHUCMXKFZQAZ-UHFFFAOYSA-N 0 0 424.501 4.108 20 5 HIBDRN Cc1cc(NC(=O)Cc2ccc(Br)s2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000510909947 919416777 /nfs/dbraw/zinc/41/67/77/919416777.db2.gz CKQOKKSULMQVJR-UHFFFAOYSA-N 0 0 421.276 4.094 20 5 HIBDRN C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000510914765 919425656 /nfs/dbraw/zinc/42/56/56/919425656.db2.gz TWIBHWHDMOAPJR-CYBMUJFWSA-N 0 0 417.416 4.285 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1c(F)cc(F)cc1F ZINC000510959735 919500267 /nfs/dbraw/zinc/50/02/67/919500267.db2.gz GOBBTVCGTNIBON-UHFFFAOYSA-N 0 0 424.322 4.439 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2cc(Br)cs2)no1 ZINC000511073477 919674411 /nfs/dbraw/zinc/67/44/11/919674411.db2.gz KRDYJDAHBCNQIM-UHFFFAOYSA-N 0 0 423.292 4.143 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nnnn1-c1ccc(Cl)cc1 ZINC000511111977 919722775 /nfs/dbraw/zinc/72/27/75/919722775.db2.gz XBASENBILASCTK-UHFFFAOYSA-N 0 0 405.867 4.303 20 5 HIBDRN Cc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2cc(Br)ccc2n1 ZINC000511268366 919866364 /nfs/dbraw/zinc/86/63/64/919866364.db2.gz RQFDBCVXFVVIMU-UHFFFAOYSA-N 0 0 414.259 4.486 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000511274708 919871494 /nfs/dbraw/zinc/87/14/94/919871494.db2.gz BDQVKNRHTUHHJS-UHFFFAOYSA-N 0 0 409.627 4.219 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000511325693 919916604 /nfs/dbraw/zinc/91/66/04/919916604.db2.gz QMZOGXGGMZFKNC-NRFANRHFSA-N 0 0 412.465 4.107 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc(Oc2ccc(F)cc2)ccn1 ZINC000511406845 920020684 /nfs/dbraw/zinc/02/06/84/920020684.db2.gz YPJDPUFLWXSSCO-UHFFFAOYSA-N 0 0 424.432 4.305 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000511564342 920205920 /nfs/dbraw/zinc/20/59/20/920205920.db2.gz FKCQCASKZRYOQB-UNMCSNQZSA-N 0 0 411.502 4.255 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000511574166 920218763 /nfs/dbraw/zinc/21/87/63/920218763.db2.gz OVMJQJXOQRHSIO-HNNXBMFYSA-N 0 0 423.473 4.152 20 5 HIBDRN COc1ccc(C[C@@H](C)C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000511615430 920270369 /nfs/dbraw/zinc/27/03/69/920270369.db2.gz HBGFGLPVVLZUBB-SPLOXXLWSA-N 0 0 416.499 4.065 20 5 HIBDRN COc1ccc(CN(CC2CCC2)C(=O)c2cc([N+](=O)[O-])ccc2OC)c(OC)c1 ZINC000511701560 920366744 /nfs/dbraw/zinc/36/67/44/920366744.db2.gz HMVNGUCTALRUJY-UHFFFAOYSA-N 0 0 414.458 4.063 20 5 HIBDRN CC(=O)c1ccc(NC[C@H]2CCN(c3cccc(Br)c3)C2)c([N+](=O)[O-])c1 ZINC000511728440 920394673 /nfs/dbraw/zinc/39/46/73/920394673.db2.gz GEXRUECVGVVYLE-CQSZACIVSA-N 0 0 418.291 4.498 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000511848944 920570998 /nfs/dbraw/zinc/57/09/98/920570998.db2.gz CVGZQRZDLIIOII-GOSISDBHSA-N 0 0 409.408 4.342 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000511864519 920589822 /nfs/dbraw/zinc/58/98/22/920589822.db2.gz LHHVQVQYLIBVDR-UHFFFAOYSA-N 0 0 421.419 4.316 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(Br)c2cccnc12 ZINC000511904248 920641987 /nfs/dbraw/zinc/64/19/87/920641987.db2.gz VBOJCIQPNDQSPT-UHFFFAOYSA-N 0 0 404.195 4.226 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000511921414 920665232 /nfs/dbraw/zinc/66/52/32/920665232.db2.gz HOFLTJJHHVREAS-SECBINFHSA-N 0 0 408.785 4.307 20 5 HIBDRN CCOC(=O)C1CCC(N(CC)C(=O)c2cc([N+](=O)[O-])ccc2SCC)CC1 ZINC000511971692 920738190 /nfs/dbraw/zinc/73/81/90/920738190.db2.gz QMKTWCMNSXCWDI-UHFFFAOYSA-N 0 0 408.520 4.291 20 5 HIBDRN CCOC(=O)C1CCC(N(CC)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000511973664 920743537 /nfs/dbraw/zinc/74/35/37/920743537.db2.gz YRTGQCDJUWCJHR-QQFBHYJXSA-N 0 0 408.520 4.046 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccsc1Br ZINC000511998627 920767432 /nfs/dbraw/zinc/76/74/32/920767432.db2.gz JFCANBMTOOVHSF-UHFFFAOYSA-N 0 0 401.307 4.461 20 5 HIBDRN Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1I ZINC000512033540 920805474 /nfs/dbraw/zinc/80/54/74/920805474.db2.gz XBVUTTZDSKTSHC-UHFFFAOYSA-N 0 0 421.194 4.241 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000512096236 920857942 /nfs/dbraw/zinc/85/79/42/920857942.db2.gz WYKUUGOADIAARZ-UHFFFAOYSA-N 0 0 400.438 4.231 20 5 HIBDRN COc1cc(CNc2ccc3oc(=O)[nH]c3c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000512097698 920859494 /nfs/dbraw/zinc/85/94/94/920859494.db2.gz GFKTWHLMKJADOI-UHFFFAOYSA-N 0 0 413.308 4.003 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN[C@@H](CCO)c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000512160850 920898118 /nfs/dbraw/zinc/89/81/18/920898118.db2.gz BVORDNHQTGMREN-INIZCTEOSA-N 0 0 423.256 4.165 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000512218628 920966598 /nfs/dbraw/zinc/96/65/98/920966598.db2.gz VULAEWYGKBBWMX-RZQQEMMASA-N 0 0 400.500 4.360 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)CSCc3cccnc3)n2)cc1[N+](=O)[O-] ZINC000512234775 920989171 /nfs/dbraw/zinc/98/91/71/920989171.db2.gz UCRKICHFWVOELP-UHFFFAOYSA-N 0 0 400.485 4.294 20 5 HIBDRN Cc1c(Br)cc(C(=O)NCc2cc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000512264763 921023004 /nfs/dbraw/zinc/02/30/04/921023004.db2.gz DYQMCMWBIFYJAB-UHFFFAOYSA-N 0 0 416.231 4.251 20 5 HIBDRN CCOc1cc(CN[C@](CC)(C(=O)OC)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000512269687 921025603 /nfs/dbraw/zinc/02/56/03/921025603.db2.gz MLDYILFOOPTZID-FQEVSTJZSA-N 0 0 406.866 4.215 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1SC ZINC000512273748 921028729 /nfs/dbraw/zinc/02/87/29/921028729.db2.gz HCXSPSMVZQGAAO-WMLDXEAASA-N 0 0 416.499 4.223 20 5 HIBDRN COc1ccc(-c2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)cc1OC ZINC000512296734 921053778 /nfs/dbraw/zinc/05/37/78/921053778.db2.gz WVJZYQAUFJKOKC-UHFFFAOYSA-N 0 0 420.219 4.400 20 5 HIBDRN CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Br)c1 ZINC000512310684 921062969 /nfs/dbraw/zinc/06/29/69/921062969.db2.gz YNHOUJBZCQYEJM-UHFFFAOYSA-N 0 0 415.247 4.210 20 5 HIBDRN CCn1c2ccc(Br)cc2nc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000512327499 921078812 /nfs/dbraw/zinc/07/88/12/921078812.db2.gz FUXIWHPEXSVNDN-UHFFFAOYSA-N 0 0 421.226 4.047 20 5 HIBDRN COc1cc(Br)cc(C)c1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000513577593 921910074 /nfs/dbraw/zinc/91/00/74/921910074.db2.gz LESWINTVYIYXTL-UHFFFAOYSA-N 0 0 422.279 4.381 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CNc2ccccc2C(=O)NC)cc1OC ZINC000513592162 921923311 /nfs/dbraw/zinc/92/33/11/921923311.db2.gz MVGRWCSYUOHNII-CQSZACIVSA-N 0 0 401.463 4.000 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CNc2ccc(C(=O)N(C)C)cc2)cc1OC ZINC000513592769 921923391 /nfs/dbraw/zinc/92/33/91/921923391.db2.gz SCNSUCMRWIPLRE-OAHLLOKOSA-N 0 0 415.490 4.342 20 5 HIBDRN COc1ccc2[nH]cc(C3CCN(CC(=O)Nc4c(C)cccc4[N+](=O)[O-])CC3)c2c1 ZINC000513638438 921962698 /nfs/dbraw/zinc/96/26/98/921962698.db2.gz RZFYGDIKCQLDTM-UHFFFAOYSA-N 0 0 422.485 4.211 20 5 HIBDRN CC[C@H]1CCc2sc(-c3nnc(Sc4c([N+](=O)[O-])c(C)nn4C)n3C)cc2C1 ZINC000513650407 921972969 /nfs/dbraw/zinc/97/29/69/921972969.db2.gz MYBFOIMDGKMXHY-NSHDSACASA-N 0 0 418.548 4.160 20 5 HIBDRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000513652341 921974492 /nfs/dbraw/zinc/97/44/92/921974492.db2.gz LWWNLUSPIBXISB-UHFFFAOYSA-N 0 0 413.764 4.450 20 5 HIBDRN CC(C)NC(=O)c1ccc(NCCc2coc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 ZINC000513654855 921976263 /nfs/dbraw/zinc/97/62/63/921976263.db2.gz YCEJCNHMSIVRBL-UHFFFAOYSA-N 0 0 412.421 4.182 20 5 HIBDRN Cc1cc(Cl)c2ccccc2c1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513661930 921984540 /nfs/dbraw/zinc/98/45/40/921984540.db2.gz XFAGPEXYKKKEPC-UHFFFAOYSA-N 0 0 418.858 4.366 20 5 HIBDRN O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513699469 922020956 /nfs/dbraw/zinc/02/09/56/922020956.db2.gz NOAXMARSFKEMTB-MRXNPFEDSA-N 0 0 418.356 4.176 20 5 HIBDRN Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513736034 922055860 /nfs/dbraw/zinc/05/58/60/922055860.db2.gz VOYWSZBKPJIQSM-UHFFFAOYSA-N 0 0 423.441 4.310 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)ccc1[N+](=O)[O-] ZINC000513738128 922059287 /nfs/dbraw/zinc/05/92/87/922059287.db2.gz OVJJMUYSZRRWTJ-HNNXBMFYSA-N 0 0 411.458 4.179 20 5 HIBDRN C[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000513742175 922064090 /nfs/dbraw/zinc/06/40/90/922064090.db2.gz UMGBLMBCVCUWGP-BJOHPYRUSA-N 0 0 411.277 4.307 20 5 HIBDRN Cn1cc(CN2CCO[C@@H](c3ccccc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513742196 922064274 /nfs/dbraw/zinc/06/42/74/922064274.db2.gz URDCBJSVKKSNCC-HXUWFJFHSA-N 0 0 412.877 4.222 20 5 HIBDRN COc1cccc(C2=CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC2)c1 ZINC000513748260 922069463 /nfs/dbraw/zinc/06/94/63/922069463.db2.gz CONFXSLBWASAPF-UHFFFAOYSA-N 0 0 404.369 4.134 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)ccc1[N+](=O)[O-] ZINC000513759289 922078348 /nfs/dbraw/zinc/07/83/48/922078348.db2.gz BBTFDISJVJMMSJ-UHFFFAOYSA-N 0 0 411.458 4.227 20 5 HIBDRN CCN(CCc1nccs1)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000513836347 922163184 /nfs/dbraw/zinc/16/31/84/922163184.db2.gz GHAWRZLBJVHNNG-UHFFFAOYSA-N 0 0 419.450 4.253 20 5 HIBDRN CCCN(CCC)C(=O)c1cccc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)c1 ZINC000513836745 922163190 /nfs/dbraw/zinc/16/31/90/922163190.db2.gz MXUHODJIAULJKY-UHFFFAOYSA-N 0 0 409.486 4.450 20 5 HIBDRN O=C(N1CCCc2c([N+](=O)[O-])cccc21)C1(c2cccc(Br)c2)CC1 ZINC000513836529 922163586 /nfs/dbraw/zinc/16/35/86/922163586.db2.gz JJNMCCZIQAHAPE-UHFFFAOYSA-N 0 0 401.260 4.368 20 5 HIBDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000513837344 922165010 /nfs/dbraw/zinc/16/50/10/922165010.db2.gz YIWYBBBQNSQCGT-UHFFFAOYSA-N 0 0 405.458 4.391 20 5 HIBDRN CSc1ncc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)n1-c1ccc(F)cc1 ZINC000513838140 922165538 /nfs/dbraw/zinc/16/55/38/922165538.db2.gz LTGIYCBLWOCTLX-UHFFFAOYSA-N 0 0 412.446 4.235 20 5 HIBDRN Cc1ccc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)cc1I ZINC000513844443 922170067 /nfs/dbraw/zinc/17/00/67/922170067.db2.gz WAAYVNUSMJCEBR-UHFFFAOYSA-N 0 0 422.222 4.101 20 5 HIBDRN CCOC(=O)CN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000513904797 922226015 /nfs/dbraw/zinc/22/60/15/922226015.db2.gz BLICHJCRZKIQRU-CQSZACIVSA-N 0 0 402.472 4.083 20 5 HIBDRN CC(C)(NC(=O)Cc1c[nH]c2cccc(Br)c12)c1ccc([N+](=O)[O-])cc1 ZINC000513932286 922252267 /nfs/dbraw/zinc/25/22/67/922252267.db2.gz USHLHLNVFSHIKJ-UHFFFAOYSA-N 0 0 416.275 4.433 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2cccc(C(F)(F)F)c2=O)cc1OC ZINC000514116726 922448015 /nfs/dbraw/zinc/44/80/15/922448015.db2.gz LJWNDSMNFSBPHL-LBPRGKRZSA-N 0 0 414.380 4.257 20 5 HIBDRN COc1cc(-c2nnc(Sc3ccc(C)cc3[N+](=O)[O-])o2)cc(OC)c1OC ZINC000514178855 922516959 /nfs/dbraw/zinc/51/69/59/922516959.db2.gz CDSHDRRTBSWIRQ-UHFFFAOYSA-N 0 0 403.416 4.130 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000514223848 922559083 /nfs/dbraw/zinc/55/90/83/922559083.db2.gz UFHCWWPGAFSUSO-FZKQIMNGSA-N 0 0 406.385 4.107 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000514227016 922563061 /nfs/dbraw/zinc/56/30/61/922563061.db2.gz MZFSMXHGRHRDLW-LIRRHRJNSA-N 0 0 420.412 4.415 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000514227663 922564278 /nfs/dbraw/zinc/56/42/78/922564278.db2.gz TWWKXPUNSOQNPW-MRXNPFEDSA-N 0 0 412.776 4.063 20 5 HIBDRN CC1CCC(OC2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC2)CC1 ZINC000514227442 922564597 /nfs/dbraw/zinc/56/45/97/922564597.db2.gz QABCZHGVAIXWOX-UHFFFAOYSA-N 0 0 412.433 4.396 20 5 HIBDRN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514234504 922572143 /nfs/dbraw/zinc/57/21/43/922572143.db2.gz OUKANLFHWRMUHX-HNNXBMFYSA-N 0 0 416.384 4.060 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCCc3cccc4cccnc43)cc2[N+](=O)[O-])C1 ZINC000514343473 922599969 /nfs/dbraw/zinc/59/99/69/922599969.db2.gz ANWMDJZBBPSOST-KRWDZBQOSA-N 0 0 418.497 4.352 20 5 HIBDRN O=C(Nc1cnccn1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000514337562 922600807 /nfs/dbraw/zinc/60/08/07/922600807.db2.gz CDXOBNHARKQWAA-UHFFFAOYSA-N 0 0 409.452 4.398 20 5 HIBDRN O=C(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Nc1cc(Cl)ccc1Cl ZINC000514428155 922621100 /nfs/dbraw/zinc/62/11/00/922621100.db2.gz MQSFLDINPDOKFS-UHFFFAOYSA-N 0 0 408.197 4.016 20 5 HIBDRN COC(=O)c1cc(Br)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000514560097 922698870 /nfs/dbraw/zinc/69/88/70/922698870.db2.gz KTUKUFFDVAIYSS-UHFFFAOYSA-N 0 0 419.187 4.142 20 5 HIBDRN COc1ccc(Cc2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1F ZINC000514689720 922756467 /nfs/dbraw/zinc/75/64/67/922756467.db2.gz IPHDOBIGSLJEGV-UHFFFAOYSA-N 0 0 401.397 4.470 20 5 HIBDRN CCn1c2ccc(Br)cc2nc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514771674 922797034 /nfs/dbraw/zinc/79/70/34/922797034.db2.gz NJPADTKDDLMTQH-NSHDSACASA-N 0 0 417.263 4.469 20 5 HIBDRN Cn1c(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000514846436 922823291 /nfs/dbraw/zinc/82/32/91/922823291.db2.gz CQWRHQMJCRATLF-VMPITWQZSA-N 0 0 419.437 4.065 20 5 HIBDRN COc1ccc([C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C2CC2)cc1 ZINC000514884852 922831456 /nfs/dbraw/zinc/83/14/56/922831456.db2.gz SBEWHTBFNDPSOC-OAQYLSRUSA-N 0 0 408.458 4.078 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Sc2n[nH]c(C=Cc3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000514968642 922859020 /nfs/dbraw/zinc/85/90/20/922859020.db2.gz POAGXYYNLMJRBM-GCZGRYASSA-N 0 0 409.471 4.311 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccccc1NC(=O)c1cccs1 ZINC000515013927 922877553 /nfs/dbraw/zinc/87/75/53/922877553.db2.gz ONDYOBBBFLTLGE-UHFFFAOYSA-N 0 0 417.393 4.368 20 5 HIBDRN CCOc1ccccc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000515106357 922918721 /nfs/dbraw/zinc/91/87/21/922918721.db2.gz UEEBJCGCCNBNQE-KRWDZBQOSA-N 0 0 415.446 4.198 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000515113568 922927080 /nfs/dbraw/zinc/92/70/80/922927080.db2.gz QCEYSKCTPZHKDL-HNNXBMFYSA-N 0 0 402.882 4.467 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000515189708 922979466 /nfs/dbraw/zinc/97/94/66/922979466.db2.gz DFVXIRUTVBGLJC-UHFFFAOYSA-N 0 0 411.458 4.262 20 5 HIBDRN CCOc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1OC ZINC000515198998 922986371 /nfs/dbraw/zinc/98/63/71/922986371.db2.gz LEPCFOVMUUSPPD-UHFFFAOYSA-N 0 0 412.364 4.207 20 5 HIBDRN COc1ccc(OC)c([C@@H]2C[C@@H]2c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000515252477 923018542 /nfs/dbraw/zinc/01/85/42/923018542.db2.gz OUHYSZAPTXJQAD-WMZOPIPTSA-N 0 0 420.425 4.338 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000515266719 923025689 /nfs/dbraw/zinc/02/56/89/923025689.db2.gz CDPPPTKLHAQFER-HXUWFJFHSA-N 0 0 423.856 4.401 20 5 HIBDRN CC[C@@H]1CO[C@H](C)CN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000515315119 923046205 /nfs/dbraw/zinc/04/62/05/923046205.db2.gz LYMHFTUHDLRDLS-RHSMWYFYSA-N 0 0 417.893 4.500 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@@H]1C1CCOCC1 ZINC000515319936 923048720 /nfs/dbraw/zinc/04/87/20/923048720.db2.gz BRTJACVDXTUZPW-MRXNPFEDSA-N 0 0 406.280 4.301 20 5 HIBDRN CCCn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nnc1-c1ccncc1 ZINC000515409720 923087770 /nfs/dbraw/zinc/08/77/70/923087770.db2.gz KHEUPELFPNMBBF-UHFFFAOYSA-N 0 0 423.458 4.001 20 5 HIBDRN CCOc1ccc(Oc2cc(CNc3ccc([N+](=O)[O-])cc3C(=O)NC)ccn2)cc1 ZINC000515590804 923202555 /nfs/dbraw/zinc/20/25/55/923202555.db2.gz UVBAQIGYVPFTQK-UHFFFAOYSA-N 0 0 422.441 4.153 20 5 HIBDRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCCCOc1cccc(C(F)(F)F)c1 ZINC000515592668 923204871 /nfs/dbraw/zinc/20/48/71/923204871.db2.gz ZRYXUMNYOYYWBR-UHFFFAOYSA-N 0 0 408.332 4.069 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1cccs1)c1ccc(F)cc1 ZINC000515651016 923243703 /nfs/dbraw/zinc/24/37/03/923243703.db2.gz JAEBHPBKCVEEIC-UHFFFAOYSA-N 0 0 422.459 4.200 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000515674152 923258929 /nfs/dbraw/zinc/25/89/29/923258929.db2.gz IKRLVKMKCQCUJA-UHFFFAOYSA-N 0 0 422.416 4.427 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)[C@@H](C)CC)cc([N+](=O)[O-])c1 ZINC000515680376 923264901 /nfs/dbraw/zinc/26/49/01/923264901.db2.gz KCJXSELDAXEROT-ORAYPTAESA-N 0 0 424.457 4.165 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCc3cc(Br)ccc32)cc1[N+](=O)[O-] ZINC000515730304 923309306 /nfs/dbraw/zinc/30/93/06/923309306.db2.gz JXKNQCNQJODQLQ-UHFFFAOYSA-N 0 0 405.248 4.349 20 5 HIBDRN COc1ccc(CNC(=O)CSc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000515730161 923309508 /nfs/dbraw/zinc/30/95/08/923309508.db2.gz XITYVONHMYIUBT-UHFFFAOYSA-N 0 0 400.378 4.031 20 5 HIBDRN CC1CCN(C(=O)c2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000515738189 923312922 /nfs/dbraw/zinc/31/29/22/923312922.db2.gz DICDMMXADKYWBN-UHFFFAOYSA-N 0 0 407.426 4.465 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000515752059 923323938 /nfs/dbraw/zinc/32/39/38/923323938.db2.gz PEAHXINIBYLGCX-UHFFFAOYSA-N 0 0 404.488 4.127 20 5 HIBDRN CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000515755641 923327027 /nfs/dbraw/zinc/32/70/27/923327027.db2.gz XLQFDASUDVLRKJ-GFCCVEGCSA-N 0 0 400.859 4.468 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000515777977 923343831 /nfs/dbraw/zinc/34/38/31/923343831.db2.gz WJIQWEDEBTWUBO-OAQYLSRUSA-N 0 0 409.417 4.331 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000515776177 923343883 /nfs/dbraw/zinc/34/38/83/923343883.db2.gz OMUKFACKAZNVSX-UHFFFAOYSA-N 0 0 412.368 4.010 20 5 HIBDRN CC[C@H](NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000515778132 923344578 /nfs/dbraw/zinc/34/45/78/923344578.db2.gz 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ZINC000532968728 931719099 /nfs/dbraw/zinc/71/90/99/931719099.db2.gz MVYFVXHTKKAEGK-LLVKDONJSA-N 0 0 422.254 4.054 20 5 HIBDRN Cc1cccc([C@H]2CCCN2C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000533117808 931774470 /nfs/dbraw/zinc/77/44/70/931774470.db2.gz GOJAAXBGWOYNQM-MRXNPFEDSA-N 0 0 404.264 4.346 20 5 HIBDRN COc1ccc(CC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000533121961 931775483 /nfs/dbraw/zinc/77/54/83/931775483.db2.gz DZGQXCJBKKDAPA-INIZCTEOSA-N 0 0 418.877 4.117 20 5 HIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000533195592 931806570 /nfs/dbraw/zinc/80/65/70/931806570.db2.gz JHNLMHVAQSHMIX-CYBMUJFWSA-N 0 0 410.499 4.431 20 5 HIBDRN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533251121 931818970 /nfs/dbraw/zinc/81/89/70/931818970.db2.gz FBMGBQJLHYKEPW-ZDUSSCGKSA-N 0 0 407.392 4.196 20 5 HIBDRN COc1ccc(Br)cc1CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000533278387 931826063 /nfs/dbraw/zinc/82/60/63/931826063.db2.gz UGKZNDITDFKBGS-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000533327063 931839304 /nfs/dbraw/zinc/83/93/04/931839304.db2.gz DJLBBVVKUGQKOZ-GOSISDBHSA-N 0 0 408.376 4.435 20 5 HIBDRN Cc1c(CC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cccc1[N+](=O)[O-] ZINC000533361642 931848097 /nfs/dbraw/zinc/84/80/97/931848097.db2.gz TVXJINMCIAMIEG-KRWDZBQOSA-N 0 0 405.454 4.297 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000533426836 931865008 /nfs/dbraw/zinc/86/50/08/931865008.db2.gz JEZKKZZRHWYSBV-RHSMWYFYSA-N 0 0 424.432 4.440 20 5 HIBDRN CCOc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000533652495 931948694 /nfs/dbraw/zinc/94/86/94/931948694.db2.gz OWEVURPYDQHAEZ-UHFFFAOYSA-N 0 0 419.437 4.176 20 5 HIBDRN CN1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533681003 931967044 /nfs/dbraw/zinc/96/70/44/931967044.db2.gz JKEXEHJELWPIQB-RDJZCZTQSA-N 0 0 412.248 4.216 20 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ZINC000533850685 932060892 /nfs/dbraw/zinc/06/08/92/932060892.db2.gz PXCPKVQPDWOQDZ-CZIWCDLHSA-N 0 0 417.893 4.141 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2cncc(Br)c2)cc1[N+](=O)[O-] ZINC000533863217 932068778 /nfs/dbraw/zinc/06/87/78/932068778.db2.gz HGBXBRRHCILJBR-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000533904160 932091243 /nfs/dbraw/zinc/09/12/43/932091243.db2.gz HBHHOXHSEPAYRV-UHFFFAOYSA-N 0 0 410.430 4.444 20 5 HIBDRN Cc1sc(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)nc1-c1ccccc1 ZINC000533937368 932110932 /nfs/dbraw/zinc/11/09/32/932110932.db2.gz SVJGPRWRWHEDLI-UHFFFAOYSA-N 0 0 420.494 4.409 20 5 HIBDRN C[C@@H](Nc1cccc2c1CN(c1nccs1)C2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000533954544 932128608 /nfs/dbraw/zinc/12/86/08/932128608.db2.gz LHFYWJQUBQSABN-CYBMUJFWSA-N 0 0 409.471 4.011 20 5 HIBDRN COc1ccc(Br)c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000533961160 932136180 /nfs/dbraw/zinc/13/61/80/932136180.db2.gz GPZZJNAOULLMFF-UHFFFAOYSA-N 0 0 404.220 4.028 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000533963053 932137692 /nfs/dbraw/zinc/13/76/92/932137692.db2.gz DUMKVOIWSDOAKW-QAPCUYQASA-N 0 0 403.360 4.310 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000533976132 932153293 /nfs/dbraw/zinc/15/32/93/932153293.db2.gz JRXKKBKAMXUSDJ-SNVBAGLBSA-N 0 0 419.846 4.483 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000533981766 932156814 /nfs/dbraw/zinc/15/68/14/932156814.db2.gz CRVDHAYZHHMFHS-KRWDZBQOSA-N 0 0 417.893 4.291 20 5 HIBDRN COc1ccccc1COc1cccc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1C ZINC000533993024 932171390 /nfs/dbraw/zinc/17/13/90/932171390.db2.gz WAGGRIAWRVFWLF-UHFFFAOYSA-N 0 0 424.457 4.025 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1SC ZINC000534007057 932189633 /nfs/dbraw/zinc/18/96/33/932189633.db2.gz YFVXUFSPPMIDPW-CQSZACIVSA-N 0 0 422.890 4.272 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)cc2cccnc21 ZINC000534009674 932190808 /nfs/dbraw/zinc/19/08/08/932190808.db2.gz JNDWLZSSHMQDBU-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN Cc1nn(-c2ccc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)cc2)c(C)c1Cl ZINC000534009083 932191348 /nfs/dbraw/zinc/19/13/48/932191348.db2.gz LEZPGACWAKBUQJ-UHFFFAOYSA-N 0 0 410.821 4.179 20 5 HIBDRN Cc1ccc(OCc2cccc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)c2)cn1 ZINC000534010525 932192318 /nfs/dbraw/zinc/19/23/18/932192318.db2.gz RAKGTGNVZFRXJL-UHFFFAOYSA-N 0 0 403.398 4.006 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000534071347 932249527 /nfs/dbraw/zinc/24/95/27/932249527.db2.gz GQCLCSBJXXOXQP-MRXNPFEDSA-N 0 0 423.473 4.369 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000534089838 932270581 /nfs/dbraw/zinc/27/05/81/932270581.db2.gz STXSPEPAWYOPTH-UHFFFAOYSA-N 0 0 405.401 4.317 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCN(c4nc5ccccc5s4)CC3)co2)cc1 ZINC000534101699 932279940 /nfs/dbraw/zinc/27/99/40/932279940.db2.gz PGWWNWOYYMSXSC-UHFFFAOYSA-N 0 0 421.482 4.182 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000534104872 932281434 /nfs/dbraw/zinc/28/14/34/932281434.db2.gz AGGLECFTYBSWGS-BTYIYWSLSA-N 0 0 423.494 4.385 20 5 HIBDRN C[C@H](O)[C@@H]1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000534109407 932283825 /nfs/dbraw/zinc/28/38/25/932283825.db2.gz AVNUSIMHEDSSPA-YYFZDKIDSA-N 0 0 417.893 4.021 20 5 HIBDRN C[C@H](O)[C@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000534109405 932284065 /nfs/dbraw/zinc/28/40/65/932284065.db2.gz AVNUSIMHEDSSPA-UVFQYZLESA-N 0 0 417.893 4.021 20 5 HIBDRN O=C(CN(CC(F)F)CC1CCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000534171086 932314147 /nfs/dbraw/zinc/31/41/47/932314147.db2.gz KFUWHRWTKUOWHG-UHFFFAOYSA-N 0 0 410.446 4.024 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1 ZINC000534173670 932315517 /nfs/dbraw/zinc/31/55/17/932315517.db2.gz OCLUKGXZXNTOCR-AWEZNQCLSA-N 0 0 408.458 4.476 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000534212144 932334524 /nfs/dbraw/zinc/33/45/24/932334524.db2.gz AQZMMDXOTHYCNT-HRCADAONSA-N 0 0 420.531 4.339 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000534220699 932339417 /nfs/dbraw/zinc/33/94/17/932339417.db2.gz BZDAKIIALUHFRS-UHFFFAOYSA-N 0 0 421.478 4.256 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n(-c2ccccn2)n1 ZINC000534251455 932365568 /nfs/dbraw/zinc/36/55/68/932365568.db2.gz PADBBCOMRJDMCP-UHFFFAOYSA-N 0 0 404.430 4.207 20 5 HIBDRN COc1cc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)ccc1OC1CCCC1 ZINC000534251709 932366342 /nfs/dbraw/zinc/36/63/42/932366342.db2.gz TURJDDJKCXGLID-UHFFFAOYSA-N 0 0 409.442 4.336 20 5 HIBDRN Cc1nnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)o1 ZINC000534278964 932374949 /nfs/dbraw/zinc/37/49/49/932374949.db2.gz 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5 HIBDRN Cc1c(CC(=O)N[C@H](C)Cc2cc(Br)ccc2F)cccc1[N+](=O)[O-] ZINC000534398843 932424490 /nfs/dbraw/zinc/42/44/90/932424490.db2.gz VWJBFBDLUHYCJJ-LLVKDONJSA-N 0 0 409.255 4.095 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1OCc1nc(Cc2cccc(Br)c2)no1 ZINC000534400581 932424970 /nfs/dbraw/zinc/42/49/70/932424970.db2.gz PJCBWCHNYLYQOF-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN COC(=O)CCSc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000534446315 932459713 /nfs/dbraw/zinc/45/97/13/932459713.db2.gz BMRUUBODLYMVSH-UHFFFAOYSA-N 0 0 402.472 4.166 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 ZINC000534458968 932475088 /nfs/dbraw/zinc/47/50/88/932475088.db2.gz LVFDFUGEJFDSQI-GASCZTMLSA-N 0 0 411.458 4.082 20 5 HIBDRN CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000534473858 932501981 /nfs/dbraw/zinc/50/19/81/932501981.db2.gz JEDFMAFBDAYVOU-HNNXBMFYSA-N 0 0 405.907 4.438 20 5 HIBDRN CCCCCN(CCO)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000534516032 932540641 /nfs/dbraw/zinc/54/06/41/932540641.db2.gz KJNMKANWWUWDGQ-UHFFFAOYSA-N 0 0 409.533 4.136 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000534536784 932549752 /nfs/dbraw/zinc/54/97/52/932549752.db2.gz ZBBVDXOKMYDFJI-OAHLLOKOSA-N 0 0 413.449 4.249 20 5 HIBDRN CCCOc1ccc([C@H](C)NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1OC ZINC000534538397 932551981 /nfs/dbraw/zinc/55/19/81/932551981.db2.gz QFLYMAKWYDSLQU-HNNXBMFYSA-N 0 0 413.474 4.221 20 5 HIBDRN Cc1ccc(C[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c2ccccn2)cc1 ZINC000534571974 932574158 /nfs/dbraw/zinc/57/41/58/932574158.db2.gz FPFYBVDRKCEREX-QFIPXVFZSA-N 0 0 416.481 4.350 20 5 HIBDRN Cc1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534598632 932584227 /nfs/dbraw/zinc/58/42/27/932584227.db2.gz VKYKGOGJAXDJGC-UHFFFAOYSA-N 0 0 422.832 4.180 20 5 HIBDRN CN(Cc1cc(Br)cs1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534641363 932613628 /nfs/dbraw/zinc/61/36/28/932613628.db2.gz YRIZIDTUYRVZPQ-UHFFFAOYSA-N 0 0 408.277 4.101 20 5 HIBDRN Cc1sc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000534666593 932635705 /nfs/dbraw/zinc/63/57/05/932635705.db2.gz NFYKFVAQXIUSKY-UHFFFAOYSA-N 0 0 403.287 4.296 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000534692778 932663548 /nfs/dbraw/zinc/66/35/48/932663548.db2.gz RWLIVYCBXPZURX-HXOBKFHXSA-N 0 0 407.470 4.211 20 5 HIBDRN CCOC(=O)CC1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCC1 ZINC000534707141 932678574 /nfs/dbraw/zinc/67/85/74/932678574.db2.gz RDVVWBRDEPRISC-UHFFFAOYSA-N 0 0 416.396 4.247 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c([N+](=O)[O-])cc1OC ZINC000534707432 932678805 /nfs/dbraw/zinc/67/88/05/932678805.db2.gz YRHKWHRMJSWOKH-UHFFFAOYSA-N 0 0 406.345 4.068 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000534713133 932682450 /nfs/dbraw/zinc/68/24/50/932682450.db2.gz BQMYKOUKCXVNKU-LJQANCHMSA-N 0 0 421.457 4.124 20 5 HIBDRN O=C(CCCCOc1ccc(Br)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000534730562 932700118 /nfs/dbraw/zinc/70/01/18/932700118.db2.gz JBJZZNKTPDJKFK-UHFFFAOYSA-N 0 0 421.291 4.265 20 5 HIBDRN Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCc3cccc([N+](=O)[O-])c3)c12 ZINC000534730766 932700127 /nfs/dbraw/zinc/70/01/27/932700127.db2.gz AHVLZSFCKAMMKK-UHFFFAOYSA-N 0 0 402.410 4.079 20 5 HIBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000534732553 932701595 /nfs/dbraw/zinc/70/15/95/932701595.db2.gz UXFRMOIOUYZSFC-UHFFFAOYSA-N 0 0 415.446 4.050 20 5 HIBDRN Cc1nc(C)n(-c2ccccc2NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000534743705 932716345 /nfs/dbraw/zinc/71/63/45/932716345.db2.gz XOENPMUMFDJZST-UHFFFAOYSA-N 0 0 408.462 4.235 20 5 HIBDRN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000534745882 932717792 /nfs/dbraw/zinc/71/77/92/932717792.db2.gz ZJAAEPRKBMKBKB-UHFFFAOYSA-N 0 0 401.448 4.078 20 5 HIBDRN Cc1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c(-c2nc(C3CC3)no2)c1 ZINC000534752248 932727664 /nfs/dbraw/zinc/72/76/64/932727664.db2.gz XEXCPVZAUVRGMV-UHFFFAOYSA-N 0 0 407.430 4.195 20 5 HIBDRN Cc1nc(Cc2nnc(SCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)o2)cs1 ZINC000534791199 932771860 /nfs/dbraw/zinc/77/18/60/932771860.db2.gz MQLGVRDQYWLFOL-UHFFFAOYSA-N 0 0 415.456 4.281 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)c3ccc(Br)cc3)co2)cc1 ZINC000534792474 932772902 /nfs/dbraw/zinc/77/29/02/932772902.db2.gz CCUOJHCVRAVZML-DEOSSOPVSA-N 0 0 407.245 4.320 20 5 HIBDRN C[C@H](NC(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccs1 ZINC000534793558 932773837 /nfs/dbraw/zinc/77/38/37/932773837.db2.gz OFMBWQZKHRKGIP-LBPRGKRZSA-N 0 0 403.485 4.422 20 5 HIBDRN COc1ccccc1[C@H](Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000534795175 932775513 /nfs/dbraw/zinc/77/55/13/932775513.db2.gz CVXWUSMNKWBNBX-QFIPXVFZSA-N 0 0 420.469 4.338 20 5 HIBDRN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCc2ccsc2C1 ZINC000534863242 932813236 /nfs/dbraw/zinc/81/32/36/932813236.db2.gz BBWLUBDSAXWDPD-LBPRGKRZSA-N 0 0 414.512 4.165 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2cc(F)ccc2N2CCOCC2)nc1-c1ccccc1 ZINC000534878813 932820299 /nfs/dbraw/zinc/82/02/99/932820299.db2.gz BTRFOGSGJIBIBS-UHFFFAOYSA-N 0 0 408.433 4.245 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccccc1SC ZINC000534950384 932854000 /nfs/dbraw/zinc/85/40/00/932854000.db2.gz UDRKLPUSQPRRRF-UHFFFAOYSA-N 0 0 420.512 4.249 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(Cl)c1 ZINC000534976802 932872065 /nfs/dbraw/zinc/87/20/65/932872065.db2.gz PJULEGDRDJZMKO-UHFFFAOYSA-N 0 0 412.826 4.295 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000534977047 932872218 /nfs/dbraw/zinc/87/22/18/932872218.db2.gz TXNRUZIRCMYIPL-ZBFHGGJFSA-N 0 0 415.490 4.159 20 5 HIBDRN CN1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534992429 932879568 /nfs/dbraw/zinc/87/95/68/932879568.db2.gz SMBYYLSYMULVJF-QFBILLFUSA-N 0 0 416.840 4.044 20 5 HIBDRN COc1cc(OC)cc([C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2nccn2C)c1 ZINC000535008309 932884186 /nfs/dbraw/zinc/88/41/86/932884186.db2.gz PEQVHYXQQGSQRB-FQEVSTJZSA-N 0 0 419.441 4.095 20 5 HIBDRN Cc1ccc(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000535133914 932953919 /nfs/dbraw/zinc/95/39/19/932953919.db2.gz KGGXQGSDJSRTTR-QGZVFWFLSA-N 0 0 411.439 4.314 20 5 HIBDRN COc1cc(CN2CCc3ccc(C(C)=O)cc3CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000535209192 933015746 /nfs/dbraw/zinc/01/57/46/933015746.db2.gz ALQCZOUXILGOGU-UHFFFAOYSA-N 0 0 420.412 4.008 20 5 HIBDRN Cc1cc(N(C)Cc2nccn2Cc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535235418 933032711 /nfs/dbraw/zinc/03/27/11/933032711.db2.gz ZARIMCZOEZOQKX-UHFFFAOYSA-N 0 0 414.469 4.241 20 5 HIBDRN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535286767 933050106 /nfs/dbraw/zinc/05/01/06/933050106.db2.gz BDVSAYLVKWWFNL-UHFFFAOYSA-N 0 0 418.222 4.176 20 5 HIBDRN O=C(Nc1ccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1)c1ccccc1 ZINC000535288546 933051963 /nfs/dbraw/zinc/05/19/63/933051963.db2.gz LFVKGUDIPXBBAM-UHFFFAOYSA-N 0 0 401.422 4.046 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)c1 ZINC000535323084 933072727 /nfs/dbraw/zinc/07/27/27/933072727.db2.gz XDDNKVYDPCFLBE-UHFFFAOYSA-N 0 0 409.870 4.072 20 5 HIBDRN CCCOc1ccc([C@@H](C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC ZINC000535361984 933092740 /nfs/dbraw/zinc/09/27/40/933092740.db2.gz MCKOSIINUSHKCF-CQSZACIVSA-N 0 0 411.458 4.293 20 5 HIBDRN CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000535368763 933096628 /nfs/dbraw/zinc/09/66/28/933096628.db2.gz GGTQITMANBLLJU-MRXNPFEDSA-N 0 0 405.520 4.123 20 5 HIBDRN CCCCOc1ccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC ZINC000535371964 933099083 /nfs/dbraw/zinc/09/90/83/933099083.db2.gz NESUCVFEIRPUPK-UHFFFAOYSA-N 0 0 411.458 4.123 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000535389661 933109438 /nfs/dbraw/zinc/10/94/38/933109438.db2.gz MOCCRQAZODVUCP-AEFFLSMTSA-N 0 0 414.259 4.053 20 5 HIBDRN CC(C)(c1nnc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)s1)c1ccccc1 ZINC000535389469 933109610 /nfs/dbraw/zinc/10/96/10/933109610.db2.gz CGQHOCVBWFKKFH-UHFFFAOYSA-N 0 0 421.482 4.435 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000535428547 933131018 /nfs/dbraw/zinc/13/10/18/933131018.db2.gz RUCQWHRSGDYJSW-MLGOLLRUSA-N 0 0 411.380 4.016 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(Oc2ccccc2Cl)CC1 ZINC000535433361 933133257 /nfs/dbraw/zinc/13/32/57/933133257.db2.gz JUJLXACZKODOCQ-UHFFFAOYSA-N 0 0 413.861 4.342 20 5 HIBDRN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000535503126 933190987 /nfs/dbraw/zinc/19/09/87/933190987.db2.gz COMUPMKDELRYOM-BKTGTZMESA-N 0 0 402.882 4.054 20 5 HIBDRN COC(=O)c1cccc(OCCSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000535507683 933201075 /nfs/dbraw/zinc/20/10/75/933201075.db2.gz NKRTUZIXVMGBQU-UHFFFAOYSA-N 0 0 414.439 4.349 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3cc4c(c(Cl)c3)OCO4)co2)cc1 ZINC000535508008 933202274 /nfs/dbraw/zinc/20/22/74/933202274.db2.gz RLCNMIFCDAKCLD-MUUNZHRXSA-N 0 0 420.830 4.081 20 5 HIBDRN COc1cc(C(=O)NC2(c3ccc(F)cc3F)CCCC2)c([N+](=O)[O-])cc1OC ZINC000535556462 933240970 /nfs/dbraw/zinc/24/09/70/933240970.db2.gz FFEJORXOCBBUGF-UHFFFAOYSA-N 0 0 406.385 4.090 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCc3c([nH]c4ccccc43)C2)cc1[N+](=O)[O-] ZINC000535559191 933243022 /nfs/dbraw/zinc/24/30/22/933243022.db2.gz HJLWIOLTSXQRBS-UHFFFAOYSA-N 0 0 414.259 4.346 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(C(F)(F)F)nc3)cc2[N+](=O)[O-])C1 ZINC000535636311 933278607 /nfs/dbraw/zinc/27/86/07/933278607.db2.gz NXKOTIWGGABFTK-LBPRGKRZSA-N 0 0 408.380 4.497 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1c(F)cccc1F ZINC000535660271 933305144 /nfs/dbraw/zinc/30/51/44/933305144.db2.gz AANBWKWODBBXQI-LLVKDONJSA-N 0 0 424.425 4.019 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1C ZINC000535661269 933306314 /nfs/dbraw/zinc/30/63/14/933306314.db2.gz LQPMXHNICXCLBB-UHFFFAOYSA-N 0 0 408.863 4.464 20 5 HIBDRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000535672516 933319705 /nfs/dbraw/zinc/31/97/05/933319705.db2.gz UPPVFFPOIYCCST-AWEZNQCLSA-N 0 0 412.877 4.294 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535695569 933350363 /nfs/dbraw/zinc/35/03/63/933350363.db2.gz DXCKMTDCPPRFCF-UHFFFAOYSA-N 0 0 417.469 4.181 20 5 HIBDRN COc1ccc(OC)c(-c2csc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c43)n2)c1 ZINC000535703032 933357315 /nfs/dbraw/zinc/35/73/15/933357315.db2.gz XPJAMPXEGGIFKJ-UHFFFAOYSA-N 0 0 424.438 4.469 20 5 HIBDRN C[C@H](c1ccccc1)N(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000535736453 933371024 /nfs/dbraw/zinc/37/10/24/933371024.db2.gz GSPRUOCPPDJJCM-LLVKDONJSA-N 0 0 410.211 4.033 20 5 HIBDRN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000535749692 933374451 /nfs/dbraw/zinc/37/44/51/933374451.db2.gz 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COc1ccccc1OCC(=O)Nc1cccc(NCc2ccccc2[N+](=O)[O-])c1 ZINC000538823438 938720362 /nfs/dbraw/zinc/72/03/62/938720362.db2.gz WVMBCWLKQVJCQY-UHFFFAOYSA-N 0 0 407.426 4.233 20 5 HIBDRN O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1cc(Cl)ccc1Cl ZINC000538831572 938722114 /nfs/dbraw/zinc/72/21/14/938722114.db2.gz JKXMONVOAUJAIW-UHFFFAOYSA-N 0 0 420.256 4.077 20 5 HIBDRN COCCOc1ccc(F)cc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000538835330 938722699 /nfs/dbraw/zinc/72/26/99/938722699.db2.gz WGHUEVAQWBVFTD-UHFFFAOYSA-N 0 0 403.435 4.495 20 5 HIBDRN COc1cc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)ccc1[N+](=O)[O-] ZINC000538858081 938726167 /nfs/dbraw/zinc/72/61/67/938726167.db2.gz LKVCIYLGXITVCE-WQLSENKSSA-N 0 0 417.343 4.276 20 5 HIBDRN O=c1cc(C(F)(F)F)nc(CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)[nH]1 ZINC000538857704 938726252 /nfs/dbraw/zinc/72/62/52/938726252.db2.gz XPNBVFGHRQVVRT-UHFFFAOYSA-N 0 0 405.336 4.465 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](c2noc(C)n2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000538892619 938731448 /nfs/dbraw/zinc/73/14/48/938731448.db2.gz KYRFEKMHWXQCMQ-INIZCTEOSA-N 0 0 418.862 4.181 20 5 HIBDRN CCCc1cc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n(C)n1 ZINC000538960928 938751545 /nfs/dbraw/zinc/75/15/45/938751545.db2.gz NUMMNSHUBDBKCC-AWEZNQCLSA-N 0 0 408.462 4.101 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC000538970164 938754643 /nfs/dbraw/zinc/75/46/43/938754643.db2.gz YQHXCUGIHZTJBL-UHFFFAOYSA-N 0 0 409.295 4.476 20 5 HIBDRN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nn1-c1ccccc1 ZINC000538990818 938762269 /nfs/dbraw/zinc/76/22/69/938762269.db2.gz JLYWQQBTOQJTNE-UHFFFAOYSA-N 0 0 415.247 4.033 20 5 HIBDRN Cc1nc(-c2ccc(S(=O)(=O)N3CCc4cc(C)c([N+](=O)[O-])cc43)s2)cs1 ZINC000539113586 938804991 /nfs/dbraw/zinc/80/49/91/938804991.db2.gz AMIGDRBRMPICEE-UHFFFAOYSA-N 0 0 421.525 4.148 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000539228923 938822094 /nfs/dbraw/zinc/82/20/94/938822094.db2.gz LAVIRABFUWTLEG-BOFPYLFWSA-N 0 0 403.866 4.447 20 5 HIBDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000539248130 938825251 /nfs/dbraw/zinc/82/52/51/938825251.db2.gz JSBMNURIQUWCHV-JTQLQIEISA-N 0 0 408.792 4.096 20 5 HIBDRN COc1cc([C@@H](C)NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1OC(C)C ZINC000539251742 938825983 /nfs/dbraw/zinc/82/59/83/938825983.db2.gz CDWZHROEJYDIMD-CQSZACIVSA-N 0 0 412.446 4.291 20 5 HIBDRN C[C@H](NC(=O)Nc1cccc2c1CN(c1nccs1)C2)c1ccccc1[N+](=O)[O-] ZINC000539256743 938828095 /nfs/dbraw/zinc/82/80/95/938828095.db2.gz XVSCTZHFEKNQSJ-ZDUSSCGKSA-N 0 0 409.471 4.454 20 5 HIBDRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000539326606 938842085 /nfs/dbraw/zinc/84/20/85/938842085.db2.gz PZSKZAJPSHHAMK-STQMWFEESA-N 0 0 419.503 4.073 20 5 HIBDRN CC[C@@H](CSC)NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000539345625 938845901 /nfs/dbraw/zinc/84/59/01/938845901.db2.gz FCKQLYPAYDPGFB-AWEZNQCLSA-N 0 0 418.540 4.419 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](C)c2cccnc2)CC1 ZINC000539352366 938846783 /nfs/dbraw/zinc/84/67/83/938846783.db2.gz GZSNLRXYFLWFCY-MRXNPFEDSA-N 0 0 414.531 4.009 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000539352311 938846785 /nfs/dbraw/zinc/84/67/85/938846785.db2.gz DDSJVXKOLLNIEG-GOSISDBHSA-N 0 0 401.850 4.071 20 5 HIBDRN O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000539437166 938860035 /nfs/dbraw/zinc/86/00/35/938860035.db2.gz YKZSHTNVMLWSOI-HNNXBMFYSA-N 0 0 412.833 4.078 20 5 HIBDRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000539476932 938866134 /nfs/dbraw/zinc/86/61/34/938866134.db2.gz YVQGLHLKIPTZKK-JLTOFOAXSA-N 0 0 401.438 4.184 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Oc3ncccn3)cc2C)c1 ZINC000539515495 938872134 /nfs/dbraw/zinc/87/21/34/938872134.db2.gz MWSJOWWUUPDFIM-UHFFFAOYSA-N 0 0 408.414 4.202 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)c1 ZINC000539528403 938874023 /nfs/dbraw/zinc/87/40/23/938874023.db2.gz AOSGGBAJIWVICP-QGZVFWFLSA-N 0 0 414.458 4.309 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]1Cn1ccnc1 ZINC000539536154 938875210 /nfs/dbraw/zinc/87/52/10/938875210.db2.gz VBKZHQUUPHQSFN-SFHVURJKSA-N 0 0 407.430 4.280 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000539545201 938877397 /nfs/dbraw/zinc/87/73/97/938877397.db2.gz OXTYGFNYGOGYEN-UHFFFAOYSA-N 0 0 417.828 4.019 20 5 HIBDRN CC(C)(NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000539613652 938888141 /nfs/dbraw/zinc/88/81/41/938888141.db2.gz RMXUJBWFYLYZEN-INIZCTEOSA-N 0 0 402.882 4.061 20 5 HIBDRN CC1(C)CC(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC(C)(C)C1 ZINC000539681465 938899761 /nfs/dbraw/zinc/89/97/61/938899761.db2.gz LSOFRQGXBZMXQS-UHFFFAOYSA-N 0 0 403.479 4.004 20 5 HIBDRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539682241 938899944 /nfs/dbraw/zinc/89/99/44/938899944.db2.gz MQGGRJZBZGQERO-UHFFFAOYSA-N 0 0 402.756 4.093 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1[N+](=O)[O-] ZINC000539694911 938904800 /nfs/dbraw/zinc/90/48/00/938904800.db2.gz VRQSIJWXZURIGT-UHFFFAOYSA-N 0 0 404.382 4.449 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCC[C@@H]2C2CCOCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000539702222 938906655 /nfs/dbraw/zinc/90/66/55/938906655.db2.gz QVIQMOQPJHSBMP-IIBYNOLFSA-N 0 0 424.501 4.194 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1 ZINC000539793671 938936468 /nfs/dbraw/zinc/93/64/68/938936468.db2.gz LVXSYYUKMQBBQB-LLVKDONJSA-N 0 0 409.870 4.118 20 5 HIBDRN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000539799381 938937945 /nfs/dbraw/zinc/93/79/45/938937945.db2.gz WVWBHIDICBDKMY-GFCCVEGCSA-N 0 0 403.797 4.142 20 5 HIBDRN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000539804915 938938632 /nfs/dbraw/zinc/93/86/32/938938632.db2.gz XJPWPZVGDZURKD-KRWDZBQOSA-N 0 0 400.387 4.044 20 5 HIBDRN CNc1ccc(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000539812851 938940339 /nfs/dbraw/zinc/94/03/39/938940339.db2.gz VPEZOYDLUXCDPO-CQSZACIVSA-N 0 0 419.306 4.271 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 ZINC000539893291 938969104 /nfs/dbraw/zinc/96/91/04/938969104.db2.gz OZSRNYVAFDKOLJ-UHFFFAOYSA-N 0 0 414.290 4.306 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000539910583 938976708 /nfs/dbraw/zinc/97/67/08/938976708.db2.gz DDEJCSSZVJGYOC-UHFFFAOYSA-N 0 0 400.822 4.153 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(CS(=O)(=O)C(C)C)cc1 ZINC000539912874 938977342 /nfs/dbraw/zinc/97/73/42/938977342.db2.gz QVCUZGAPVFWOQD-UHFFFAOYSA-N 0 0 404.488 4.096 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2cccc(CS(=O)(=O)Cc3ccccc3)c2)cs1 ZINC000539930847 938978653 /nfs/dbraw/zinc/97/86/53/938978653.db2.gz BYUMNUUHENAFEP-UHFFFAOYSA-N 0 0 402.497 4.383 20 5 HIBDRN COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000539957779 938981268 /nfs/dbraw/zinc/98/12/68/938981268.db2.gz FUPCLNWFXHRYDV-NRFANRHFSA-N 0 0 405.410 4.383 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000540014211 939039918 /nfs/dbraw/zinc/03/99/18/939039918.db2.gz DQQLKJKPUFAUCJ-VBKZILBWSA-N 0 0 401.438 4.184 20 5 HIBDRN Cc1cn2c(nc(C)c2CN(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000540027162 939043413 /nfs/dbraw/zinc/04/34/13/939043413.db2.gz IFOGBHLHMMWOPD-UHFFFAOYSA-N 0 0 422.894 4.002 20 5 HIBDRN Cn1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(-c2ccccc2)n1 ZINC000540063715 939056287 /nfs/dbraw/zinc/05/62/87/939056287.db2.gz AYEFKIHKISEDPY-UHFFFAOYSA-N 0 0 405.439 4.371 20 5 HIBDRN Cc1c(Br)cc(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000540089868 939066724 /nfs/dbraw/zinc/06/67/24/939066724.db2.gz QCDKLJVQMRNOFP-KBXCAEBGSA-N 0 0 419.275 4.173 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540133075 939084797 /nfs/dbraw/zinc/08/47/97/939084797.db2.gz PHSFMRZDMWURNX-AWEZNQCLSA-N 0 0 421.331 4.048 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540133079 939085006 /nfs/dbraw/zinc/08/50/06/939085006.db2.gz PHSFMRZDMWURNX-CQSZACIVSA-N 0 0 421.331 4.048 20 5 HIBDRN CCCN1C(=O)CCc2cc(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc21 ZINC000540232245 939153044 /nfs/dbraw/zinc/15/30/44/939153044.db2.gz QERZUTYHCYQIQO-HNNXBMFYSA-N 0 0 410.474 4.475 20 5 HIBDRN C[C@H](NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000540254092 939171843 /nfs/dbraw/zinc/17/18/43/939171843.db2.gz GWMWKGMCGUOYKH-NBHSMZAVSA-N 0 0 407.829 4.278 20 5 HIBDRN CC[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1OC(F)F ZINC000540351252 939202901 /nfs/dbraw/zinc/20/29/01/939202901.db2.gz GRYFLIRHOZMSEG-HNNXBMFYSA-N 0 0 404.373 4.487 20 5 HIBDRN C[C@H](NC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000540391404 939230125 /nfs/dbraw/zinc/23/01/25/939230125.db2.gz PFOAOSGHBJHWIZ-HNNXBMFYSA-N 0 0 420.473 4.030 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1c(F)cc(Cl)cc1F ZINC000540451770 939255356 /nfs/dbraw/zinc/25/53/56/939255356.db2.gz XRLVLLXEIZHRGN-UHFFFAOYSA-N 0 0 405.582 4.470 20 5 HIBDRN CN(C(=O)c1cnn(C)c1-c1ccccc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540451854 939255951 /nfs/dbraw/zinc/25/59/51/939255951.db2.gz KRMMCRFDRHMHMZ-UHFFFAOYSA-N 0 0 419.466 4.395 20 5 HIBDRN CN(C(=O)Cc1cc(F)c(F)cc1F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540452229 939255991 /nfs/dbraw/zinc/25/59/91/939255991.db2.gz CBVGDDDJLJHTHF-UHFFFAOYSA-N 0 0 407.373 4.341 20 5 HIBDRN O=C(N[C@@H]1COc2ccccc2C1=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000540509763 939281787 /nfs/dbraw/zinc/28/17/87/939281787.db2.gz UQVMVJYOMCNPCF-LJQANCHMSA-N 0 0 420.446 4.120 20 5 HIBDRN CCc1ccc(C(=O)Nc2cc(OC)c(Br)c(OC)c2)cc1[N+](=O)[O-] ZINC000540510636 939282478 /nfs/dbraw/zinc/28/24/78/939282478.db2.gz YZFNPAWKODXDEF-UHFFFAOYSA-N 0 0 409.236 4.189 20 5 HIBDRN CC[C@@H](C)n1nc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1C ZINC000540512090 939283064 /nfs/dbraw/zinc/28/30/64/939283064.db2.gz AYRSZJHRSRCWRS-CYBMUJFWSA-N 0 0 410.478 4.185 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1nc(-c2ccccc2)c(C)s1 ZINC000540532775 939293175 /nfs/dbraw/zinc/29/31/75/939293175.db2.gz RGLTZHKNNLUCTR-UHFFFAOYSA-N 0 0 411.483 4.398 20 5 HIBDRN O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000540610445 939319390 /nfs/dbraw/zinc/31/93/90/939319390.db2.gz OOCGUGKHTRSTLW-GOSISDBHSA-N 0 0 412.833 4.078 20 5 HIBDRN CC[C@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000540614792 939320102 /nfs/dbraw/zinc/32/01/02/939320102.db2.gz ZRAMDLZQSIXLMT-KRWDZBQOSA-N 0 0 408.458 4.330 20 5 HIBDRN O=C(Nc1nc2ccccn2n1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000540616636 939321179 /nfs/dbraw/zinc/32/11/79/939321179.db2.gz GCOBAELNAGQXQL-UHFFFAOYSA-N 0 0 409.789 4.336 20 5 HIBDRN O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000540616335 939321372 /nfs/dbraw/zinc/32/13/72/939321372.db2.gz RPMKBSLGKWWXGM-UHFFFAOYSA-N 0 0 424.310 4.070 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000540623928 939322719 /nfs/dbraw/zinc/32/27/19/939322719.db2.gz JPGDDDMICGPDMB-QGZVFWFLSA-N 0 0 418.318 4.370 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1)n1cccn1 ZINC000540697968 939342648 /nfs/dbraw/zinc/34/26/48/939342648.db2.gz HCIZJXWJZRECBS-IERDGZPVSA-N 0 0 419.485 4.424 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000540772379 939366986 /nfs/dbraw/zinc/36/69/86/939366986.db2.gz GFNZZZWUVZPASS-IBGZPJMESA-N 0 0 416.499 4.406 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000540785346 939371451 /nfs/dbraw/zinc/37/14/51/939371451.db2.gz BNJXOXVWHAVBPF-CYBMUJFWSA-N 0 0 413.499 4.473 20 5 HIBDRN CC(C)(O)C(C)(C)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000540805483 939378440 /nfs/dbraw/zinc/37/84/40/939378440.db2.gz RLDDNMFKLAJILX-UHFFFAOYSA-N 0 0 405.882 4.140 20 5 HIBDRN CCOc1ccc([C@@H](C)Nc2ccc(CS(=O)(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000540834286 939388946 /nfs/dbraw/zinc/38/89/46/939388946.db2.gz WSIDLMQHEVFYGC-OAHLLOKOSA-N 0 0 406.504 4.490 20 5 HIBDRN CC(C)(C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000540856186 939397217 /nfs/dbraw/zinc/39/72/17/939397217.db2.gz KFXGLUNGEORZKI-UHFFFAOYSA-N 0 0 401.426 4.449 20 5 HIBDRN C[C@H](SCC(=O)Nc1ccc(F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000540870739 939405243 /nfs/dbraw/zinc/40/52/43/939405243.db2.gz PXCBSNIENNRVBC-NSHDSACASA-N 0 0 402.407 4.217 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000540875151 939406738 /nfs/dbraw/zinc/40/67/38/939406738.db2.gz KILFDBNDJIXMPP-WDEREUQCSA-N 0 0 410.396 4.052 20 5 HIBDRN COc1ccc(C(=O)c2ccccc2C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000540968673 939421722 /nfs/dbraw/zinc/42/17/22/939421722.db2.gz GHPAZDZJUCGUTP-UHFFFAOYSA-N 0 0 416.433 4.033 20 5 HIBDRN CCN(Cc1cn(C)nn1)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000540995533 939427803 /nfs/dbraw/zinc/42/78/03/939427803.db2.gz GGYXVHBRQJLQQK-UHFFFAOYSA-N 0 0 401.854 4.191 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC2)cc1 ZINC000541005124 939429657 /nfs/dbraw/zinc/42/96/57/939429657.db2.gz NKCDHQBXTCHLOL-UHFFFAOYSA-N 0 0 418.396 4.240 20 5 HIBDRN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541030020 939435764 /nfs/dbraw/zinc/43/57/64/939435764.db2.gz WPFWOVPJRYXNBE-UHFFFAOYSA-N 0 0 408.748 4.288 20 5 HIBDRN COc1cccc(-c2nc(COc3nc(C)cc(C)c3[N+](=O)[O-])cs2)c1OC ZINC000541054595 939443467 /nfs/dbraw/zinc/44/34/67/939443467.db2.gz QPUUMKGWAMTQAA-UHFFFAOYSA-N 0 0 401.444 4.326 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](c3nc(C)no3)C2)cc1OC ZINC000541057538 939443996 /nfs/dbraw/zinc/44/39/96/939443996.db2.gz OUWYSTIWSXQXRM-GDBMZVCRSA-N 0 0 418.494 4.099 20 5 HIBDRN COc1ccc(NC(=O)Cn2c3ccccc3nc2-c2scnc2C)cc1[N+](=O)[O-] ZINC000541065638 939447507 /nfs/dbraw/zinc/44/75/07/939447507.db2.gz VGGKOIRWZDZTFI-UHFFFAOYSA-N 0 0 423.454 4.024 20 5 HIBDRN Cc1c2cccc(Br)c2oc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000541069130 939448867 /nfs/dbraw/zinc/44/88/67/939448867.db2.gz RNBDQNRNWBVZKV-UHFFFAOYSA-N 0 0 403.232 4.384 20 5 HIBDRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000541068264 939448879 /nfs/dbraw/zinc/44/88/79/939448879.db2.gz SAPOJCHXZLRXEY-KRWDZBQOSA-N 0 0 421.375 4.052 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000541112275 939464292 /nfs/dbraw/zinc/46/42/92/939464292.db2.gz YLCCPKPXKMNXLH-OAHLLOKOSA-N 0 0 422.281 4.456 20 5 HIBDRN CC[C@@H](C)[C@@H](NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000541138489 939474166 /nfs/dbraw/zinc/47/41/66/939474166.db2.gz JJDPCCROQJLXQE-KZULUSFZSA-N 0 0 419.865 4.099 20 5 HIBDRN Cc1c2cccc(Br)c2oc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000541154746 939478400 /nfs/dbraw/zinc/47/84/00/939478400.db2.gz WNWWSBVXZUVRPD-UHFFFAOYSA-N 0 0 416.231 4.005 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2ccc(C(F)(F)F)cc2)C2CC2)s1 ZINC000541161326 939481809 /nfs/dbraw/zinc/48/18/09/939481809.db2.gz WNFQQIRUKNIQIO-UHFFFAOYSA-N 0 0 420.434 4.248 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000541176954 939484353 /nfs/dbraw/zinc/48/43/53/939484353.db2.gz AIEOKCJPSGHACX-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000541251223 939487677 /nfs/dbraw/zinc/48/76/77/939487677.db2.gz PFOPSAGFQFDNMI-SNGWPZLWSA-N 0 0 423.498 4.335 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000541254428 939487828 /nfs/dbraw/zinc/48/78/28/939487828.db2.gz YFMCKDOSEDVDBX-ZPIQOJFGSA-N 0 0 400.456 4.483 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1cnn(C[C@@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000541261479 939488224 /nfs/dbraw/zinc/48/82/24/939488224.db2.gz VFNMCIPNHHPVCX-CYBMUJFWSA-N 0 0 408.241 4.205 20 5 HIBDRN Cc1cccc(NC(=O)CN(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000541265175 939488390 /nfs/dbraw/zinc/48/83/90/939488390.db2.gz DUJNLFGXNMPKCO-UHFFFAOYSA-N 0 0 421.906 4.054 20 5 HIBDRN COc1ccc(CN(C(=O)CSc2ccccc2[N+](=O)[O-])c2ccncc2)cc1 ZINC000541264848 939488430 /nfs/dbraw/zinc/48/84/30/939488430.db2.gz IDETXFDPXIKKAR-UHFFFAOYSA-N 0 0 409.467 4.324 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC[C@H]2c2cccc3ccccc32)cc1 ZINC000541280547 939489063 /nfs/dbraw/zinc/48/90/63/939489063.db2.gz PTMQMHCKNDZKLR-QFIPXVFZSA-N 0 0 410.495 4.359 20 5 HIBDRN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000541282187 939489187 /nfs/dbraw/zinc/48/91/87/939489187.db2.gz MDAGVQULNMBFKL-JLTOFOAXSA-N 0 0 416.524 4.105 20 5 HIBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000541287479 939489465 /nfs/dbraw/zinc/48/94/65/939489465.db2.gz UGOQGZBORFQBKQ-UHFFFAOYSA-N 0 0 421.331 4.077 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)CSc3ccccc3[N+](=O)[O-])n2)cc1F ZINC000541295330 939489806 /nfs/dbraw/zinc/48/98/06/939489806.db2.gz FVWAINBHACTWCD-LBPRGKRZSA-N 0 0 416.434 4.062 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000541295601 939489866 /nfs/dbraw/zinc/48/98/66/939489866.db2.gz UGMMWIZPATWFTH-UHFFFAOYSA-N 0 0 406.876 4.498 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000541332289 939491316 /nfs/dbraw/zinc/49/13/16/939491316.db2.gz OHMNLXFZFJTVFK-INIZCTEOSA-N 0 0 418.449 4.254 20 5 HIBDRN C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000541396769 939504929 /nfs/dbraw/zinc/50/49/29/939504929.db2.gz UVYMHOUNVBWYKH-CXAGYDPISA-N 0 0 406.891 4.329 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000563700408 945256509 /nfs/dbraw/zinc/25/65/09/945256509.db2.gz AIECQHYTPRSRGK-MRXNPFEDSA-N 0 0 419.441 4.229 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC(C)(C)c1ccccc1Br ZINC000541525290 939544420 /nfs/dbraw/zinc/54/44/20/939544420.db2.gz GKTDFCRRIMVSIO-UHFFFAOYSA-N 0 0 422.279 4.100 20 5 HIBDRN C[C@H](C(=O)NCc1cc(Cl)ccc1OC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000541579857 939559691 /nfs/dbraw/zinc/55/96/91/939559691.db2.gz GMHRJDGHZAKXCN-VIFPVBQESA-N 0 0 402.756 4.409 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)[C@@H](C)CO2)c1 ZINC000541581690 939560077 /nfs/dbraw/zinc/56/00/77/939560077.db2.gz BKBHFSBZKDQYGH-QYWGDWMGSA-N 0 0 400.450 4.443 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1I)c1ccc([N+](=O)[O-])cc1F ZINC000541585323 939560572 /nfs/dbraw/zinc/56/05/72/939560572.db2.gz DOTFZMFJWKKOTI-SECBINFHSA-N 0 0 414.174 4.081 20 5 HIBDRN Cc1c(Br)c(N[C@H](c2nccn2C)c2cccc(F)c2)ncc1[N+](=O)[O-] ZINC000541589813 939561756 /nfs/dbraw/zinc/56/17/56/939561756.db2.gz LUKVRLHQUPGPFW-HNNXBMFYSA-N 0 0 420.242 4.135 20 5 HIBDRN COc1cc(CNc2ncc([N+](=O)[O-])c(C)c2Br)ccc1OC(F)F ZINC000541591412 939561861 /nfs/dbraw/zinc/56/18/61/939561861.db2.gz BNHKAVYYFIUDJG-UHFFFAOYSA-N 0 0 418.194 4.283 20 5 HIBDRN C[C@H](C(=O)NCCOCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1F ZINC000541594366 939562556 /nfs/dbraw/zinc/56/25/56/939562556.db2.gz BEPRBPWSNXHULX-NSHDSACASA-N 0 0 415.248 4.477 20 5 HIBDRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541595800 939563022 /nfs/dbraw/zinc/56/30/22/939563022.db2.gz WZVNKBLHJPBQHU-BLVKFPJESA-N 0 0 409.845 4.250 20 5 HIBDRN CCCCOc1ccc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000541604303 939566756 /nfs/dbraw/zinc/56/67/56/939566756.db2.gz YNYBSCTXLFFXTG-CQSZACIVSA-N 0 0 404.438 4.341 20 5 HIBDRN C[C@@H](C(=O)NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000541607784 939568528 /nfs/dbraw/zinc/56/85/28/939568528.db2.gz HYPZMXSTJJKKJJ-CQSZACIVSA-N 0 0 420.868 4.355 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000541611749 939569904 /nfs/dbraw/zinc/56/99/04/939569904.db2.gz XQEVPTGNGGPWHB-ZIAGYGMSSA-N 0 0 401.438 4.138 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)cc2)c(C)c1[N+](=O)[O-] ZINC000541650595 939587628 /nfs/dbraw/zinc/58/76/28/939587628.db2.gz QOBJHHNSRBPVCP-QVKFZJNVSA-N 0 0 419.485 4.075 20 5 HIBDRN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000541657505 939590840 /nfs/dbraw/zinc/59/08/40/939590840.db2.gz DWGNLEHVLTTWNI-UHFFFAOYSA-N 0 0 403.398 4.171 20 5 HIBDRN C[C@H](N[C@@H](C)c1nc(C2CCCCC2)no1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000541691676 939605794 /nfs/dbraw/zinc/60/57/94/939605794.db2.gz AKTCPJZBPGOXSO-STQMWFEESA-N 0 0 412.450 4.487 20 5 HIBDRN C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(C2CCCCC2)no1 ZINC000541691672 939605821 /nfs/dbraw/zinc/60/58/21/939605821.db2.gz AKTCPJZBPGOXSO-OLZOCXBDSA-N 0 0 412.450 4.487 20 5 HIBDRN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000541783465 939629210 /nfs/dbraw/zinc/62/92/10/939629210.db2.gz XFNPWDAUZKXPQQ-ZDUSSCGKSA-N 0 0 406.845 4.298 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000541810882 939640137 /nfs/dbraw/zinc/64/01/37/939640137.db2.gz XJUULFKTNKFHDX-WIYYLYMNSA-N 0 0 413.449 4.328 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc4c(c3)Cc3ccccc3-4)cs2)n1 ZINC000541863666 939647878 /nfs/dbraw/zinc/64/78/78/939647878.db2.gz MKWOKZXPWCICAY-UHFFFAOYSA-N 0 0 417.450 4.275 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000541880507 939649083 /nfs/dbraw/zinc/64/90/83/939649083.db2.gz STKLTCCSDPCKLU-UHFFFAOYSA-N 0 0 416.459 4.243 20 5 HIBDRN CCOc1cc(C(=O)N2[C@H](C)Cc3cc(OC)ccc3[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000541929208 939656399 /nfs/dbraw/zinc/65/63/99/939656399.db2.gz NOYPZLJYWLIPDM-ZIAGYGMSSA-N 0 0 414.458 4.159 20 5 HIBDRN C[C@@](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)(c1ccc(F)cc1)C(F)(F)F ZINC000541938503 939658296 /nfs/dbraw/zinc/65/82/96/939658296.db2.gz DJSLVRQHKGMPSC-GOSISDBHSA-N 0 0 422.338 4.127 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000541973398 939667121 /nfs/dbraw/zinc/66/71/21/939667121.db2.gz SVTBJWXBARUWGT-HNNXBMFYSA-N 0 0 422.279 4.219 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000541978476 939668225 /nfs/dbraw/zinc/66/82/25/939668225.db2.gz RERLTESSKWYVOM-QGZVFWFLSA-N 0 0 419.359 4.309 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N(C)C(c2ccccc2)c2ccccc2)n1 ZINC000541984001 939670206 /nfs/dbraw/zinc/67/02/06/939670206.db2.gz JDCGNBQHSDTYDA-UHFFFAOYSA-N 0 0 405.454 4.233 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(c3nc(C)no3)CC2)cc1OC ZINC000541986676 939671051 /nfs/dbraw/zinc/67/10/51/939671051.db2.gz WWMUSEJJRSKPLT-CQSZACIVSA-N 0 0 418.494 4.099 20 5 HIBDRN CCc1c(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000541998345 939675221 /nfs/dbraw/zinc/67/52/21/939675221.db2.gz OMZUIXBWTYIYIH-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000542008125 939683745 /nfs/dbraw/zinc/68/37/45/939683745.db2.gz NFYOSUXYSRDUCB-VELGLUOQSA-N 0 0 411.502 4.335 20 5 HIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1SCc1nc(-c2cccs2)n[nH]1 ZINC000542103387 939714751 /nfs/dbraw/zinc/71/47/51/939714751.db2.gz WPBKGFUYJCUCSV-UHFFFAOYSA-N 0 0 405.508 4.226 20 5 HIBDRN Cc1nc(C2(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CCCCC2)no1 ZINC000542194963 939752550 /nfs/dbraw/zinc/75/25/50/939752550.db2.gz LRESYVPHPLKSMJ-UHFFFAOYSA-N 0 0 410.883 4.008 20 5 HIBDRN CC[C@@H](C)Oc1cc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000542363790 939808102 /nfs/dbraw/zinc/80/81/02/939808102.db2.gz DBFJCSHEDMQVDF-GFCCVEGCSA-N 0 0 409.895 4.229 20 5 HIBDRN CC[C@H](C)Oc1cc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000542363791 939808238 /nfs/dbraw/zinc/80/82/38/939808238.db2.gz DBFJCSHEDMQVDF-LBPRGKRZSA-N 0 0 409.895 4.229 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000542390401 939812931 /nfs/dbraw/zinc/81/29/31/939812931.db2.gz ALPQFWUDZPKKEH-KRWDZBQOSA-N 0 0 417.334 4.485 20 5 HIBDRN CCc1ccc([C@@H](NCC(=O)N(C)Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542480240 939830391 /nfs/dbraw/zinc/83/03/91/939830391.db2.gz YTRXLOJKQWVRDH-QHCPKHFHSA-N 0 0 407.470 4.088 20 5 HIBDRN Cc1c(Br)c(N2CC[C@@H](OCCCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000542505901 939834266 /nfs/dbraw/zinc/83/42/66/939834266.db2.gz CPXAKNKLHFWOGH-MRXNPFEDSA-N 0 0 420.307 4.289 20 5 HIBDRN Cc1c(Br)c(N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000542508005 939834477 /nfs/dbraw/zinc/83/44/77/939834477.db2.gz VFLXOGMQOFPZEW-IUODEOHRSA-N 0 0 414.206 4.281 20 5 HIBDRN C[C@H](C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542526354 939837382 /nfs/dbraw/zinc/83/73/82/939837382.db2.gz WLZRVGISFOESCK-UFMUVLMGSA-N 0 0 410.804 4.276 20 5 HIBDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542534900 939839430 /nfs/dbraw/zinc/83/94/30/939839430.db2.gz VUOGGPASCLJCTL-AWEZNQCLSA-N 0 0 401.438 4.170 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542534793 939839523 /nfs/dbraw/zinc/83/95/23/939839523.db2.gz QBGMOKDUHVHSHO-HKUYNNGSSA-N 0 0 421.856 4.149 20 5 HIBDRN C[C@@H](C(=O)NCCc1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542540141 939840455 /nfs/dbraw/zinc/84/04/55/939840455.db2.gz YHDZSWIWWRXXTM-SNVBAGLBSA-N 0 0 413.218 4.098 20 5 HIBDRN C[C@@H](C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000542550828 939842243 /nfs/dbraw/zinc/84/22/43/939842243.db2.gz HLFBNTWIHZTXPL-DOMZBBRYSA-N 0 0 406.385 4.173 20 5 HIBDRN O=C(Nc1cccc(C(F)F)c1Cl)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000542577543 939845673 /nfs/dbraw/zinc/84/56/73/939845673.db2.gz LECSCQNVFWAUST-UHFFFAOYSA-N 0 0 411.792 4.275 20 5 HIBDRN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000542584588 939846414 /nfs/dbraw/zinc/84/64/14/939846414.db2.gz MNRRXVTWELTZLM-CBGDNZLLSA-N 0 0 408.502 4.449 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000542692249 939854638 /nfs/dbraw/zinc/85/46/38/939854638.db2.gz AIULLBDOFUHIQE-HSZRJFAPSA-N 0 0 420.513 4.338 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)nc1C(C)C ZINC000542708949 939855702 /nfs/dbraw/zinc/85/57/02/939855702.db2.gz AHQZWKKCQDPESI-JTQLQIEISA-N 0 0 409.439 4.233 20 5 HIBDRN COc1cc(CNCc2ccc(Cl)c(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542710020 939855881 /nfs/dbraw/zinc/85/58/81/939855881.db2.gz QKDZFFBGLOIHCA-UHFFFAOYSA-N 0 0 400.809 4.499 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000542713698 939856038 /nfs/dbraw/zinc/85/60/38/939856038.db2.gz GWEYTZHFEZCGBU-MRXNPFEDSA-N 0 0 413.327 4.358 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2ccc(CNc3nnc([C@@H]4COc5ccccc5O4)o3)o2)c1 ZINC000542754887 939859284 /nfs/dbraw/zinc/85/92/84/939859284.db2.gz HHXYPSPNDXMDPU-IBGZPJMESA-N 0 0 420.381 4.362 20 5 HIBDRN CC[C@H](CC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)c1ccccc1 ZINC000542771862 939860013 /nfs/dbraw/zinc/86/00/13/939860013.db2.gz VOHBPVHINWWYGG-QGZVFWFLSA-N 0 0 421.501 4.094 20 5 HIBDRN C[C@](NC(=O)CSc1ccc([N+](=O)[O-])cc1)(c1ccc(F)cc1)C(F)(F)F ZINC000542866534 939864045 /nfs/dbraw/zinc/86/40/45/939864045.db2.gz JPDKJVDQUXFAKR-INIZCTEOSA-N 0 0 402.369 4.420 20 5 HIBDRN COc1ccc(Cl)c2c1N(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)CCC2 ZINC000542865793 939864159 /nfs/dbraw/zinc/86/41/59/939864159.db2.gz DAWRMQFAYVPVCV-UHFFFAOYSA-N 0 0 412.776 4.451 20 5 HIBDRN Cn1nc(C2CCCC2)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000542867236 939864236 /nfs/dbraw/zinc/86/42/36/939864236.db2.gz LKXGTOQRGSYRRO-UHFFFAOYSA-N 0 0 400.482 4.185 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000542874195 939864600 /nfs/dbraw/zinc/86/46/00/939864600.db2.gz DFXSENMDYGGWQG-LPHOPBHVSA-N 0 0 420.412 4.402 20 5 HIBDRN COc1ccc(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000542924082 939878570 /nfs/dbraw/zinc/87/85/70/939878570.db2.gz DOMYBNLXKKCZRI-UHFFFAOYSA-N 0 0 404.272 4.059 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)s2)cs1 ZINC000563745382 945278561 /nfs/dbraw/zinc/27/85/61/945278561.db2.gz KYUNSYNRYGWGPL-UHFFFAOYSA-N 0 0 409.439 4.225 20 5 HIBDRN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542928490 939879993 /nfs/dbraw/zinc/87/99/93/939879993.db2.gz RATXDSFUSGXVTR-ZDUSSCGKSA-N 0 0 409.273 4.147 20 5 HIBDRN COc1ccc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000542931289 939880800 /nfs/dbraw/zinc/88/08/00/939880800.db2.gz NQTFNVWHKVNSPO-AWEZNQCLSA-N 0 0 407.426 4.400 20 5 HIBDRN CCN(CC)C(=O)CCC1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000542953176 939884865 /nfs/dbraw/zinc/88/48/65/939884865.db2.gz PDBLVRRPAQLQDK-UHFFFAOYSA-N 0 0 404.511 4.104 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Sc2nnc(-c3ccc(OC(F)F)cc3)o2)c1 ZINC000542972874 939889038 /nfs/dbraw/zinc/88/90/38/939889038.db2.gz FAPZJUMIACUKHS-UHFFFAOYSA-N 0 0 423.353 4.184 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1[N+](=O)[O-] ZINC000542997721 939893249 /nfs/dbraw/zinc/89/32/49/939893249.db2.gz BKSNTMZYELLPNK-UHFFFAOYSA-N 0 0 412.423 4.355 20 5 HIBDRN CCCCCn1cc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(C)n1 ZINC000543127907 939960756 /nfs/dbraw/zinc/96/07/56/939960756.db2.gz ZRBRSJYWFYBFDY-UHFFFAOYSA-N 0 0 410.927 4.352 20 5 HIBDRN COC[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000543129740 939961016 /nfs/dbraw/zinc/96/10/16/939961016.db2.gz QOBMIAHZNUTQTC-AWEZNQCLSA-N 0 0 416.833 4.122 20 5 HIBDRN C[C@H]1CO[C@@H](c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)CN1Cc1ccccc1 ZINC000563757698 945285933 /nfs/dbraw/zinc/28/59/33/945285933.db2.gz NFXHZJJIHPTIQF-IDTIXJOSSA-N 0 0 406.442 4.110 20 5 HIBDRN CC(C)COC[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000543148017 939972154 /nfs/dbraw/zinc/97/21/54/939972154.db2.gz WWUSUBZKRPBFPO-AWEZNQCLSA-N 0 0 412.895 4.463 20 5 HIBDRN CCn1cnnc1-c1ccccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543151004 939974354 /nfs/dbraw/zinc/97/43/54/939974354.db2.gz PIJXRONSRVJOAW-UHFFFAOYSA-N 0 0 417.878 4.257 20 5 HIBDRN COc1cccc([C@H]2C[C@@H](C)CN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000543171230 939984848 /nfs/dbraw/zinc/98/48/48/939984848.db2.gz VWNAWDYEDZSVGW-MLGOLLRUSA-N 0 0 410.879 4.029 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000543201852 939994002 /nfs/dbraw/zinc/99/40/02/939994002.db2.gz GEMPSNNPDJQRDF-JKSUJKDBSA-N 0 0 414.458 4.331 20 5 HIBDRN C[C@H](c1ccccc1Cl)N(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000543207171 939995832 /nfs/dbraw/zinc/99/58/32/939995832.db2.gz MHUPULCNAHPAKQ-CQSZACIVSA-N 0 0 408.907 4.248 20 5 HIBDRN COc1ccc(CC(=O)NCCn2c3ccccc3c3ccccc32)cc1[N+](=O)[O-] ZINC000543354292 940040050 /nfs/dbraw/zinc/04/00/50/940040050.db2.gz FPEQVFDZJFQGMV-UHFFFAOYSA-N 0 0 403.438 4.070 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000543357067 940040448 /nfs/dbraw/zinc/04/04/48/940040448.db2.gz RLHSKHLAOPRMKC-JBBXEZCESA-N 0 0 418.902 4.242 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CCc3ccccc3O)cc2[N+](=O)[O-])C1 ZINC000543361984 940041920 /nfs/dbraw/zinc/04/19/20/940041920.db2.gz PITJVUWFASZXEV-IAGOWNOFSA-N 0 0 411.502 4.097 20 5 HIBDRN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000543370420 940044548 /nfs/dbraw/zinc/04/45/48/940044548.db2.gz KOJHIGDRAKLKEG-VFNWGFHPSA-N 0 0 406.442 4.012 20 5 HIBDRN COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000543373592 940045574 /nfs/dbraw/zinc/04/55/74/940045574.db2.gz VDYZNZVFWSXMKK-MGPUTAFESA-N 0 0 406.442 4.012 20 5 HIBDRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000543463481 940071770 /nfs/dbraw/zinc/07/17/70/940071770.db2.gz UYHAPDGBFIYQAJ-RYUDHWBXSA-N 0 0 409.255 4.347 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1C ZINC000543484923 940079430 /nfs/dbraw/zinc/07/94/30/940079430.db2.gz HUKKQMSHPBWTAN-HNNXBMFYSA-N 0 0 404.438 4.338 20 5 HIBDRN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000543497920 940085385 /nfs/dbraw/zinc/08/53/85/940085385.db2.gz WMWZPKYQDQZGSR-JTQLQIEISA-N 0 0 422.816 4.403 20 5 HIBDRN COC(=O)c1sc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)nc1C1CCCC1 ZINC000543503440 940087653 /nfs/dbraw/zinc/08/76/53/940087653.db2.gz DJNCIFYCUVIOKH-UHFFFAOYSA-N 0 0 421.500 4.470 20 5 HIBDRN O=C(Nc1cccc(C(F)F)c1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000543508925 940089204 /nfs/dbraw/zinc/08/92/04/940089204.db2.gz UDUBZTCGXPKVHW-NSHDSACASA-N 0 0 413.764 4.022 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccccc1)c1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000563774922 945296269 /nfs/dbraw/zinc/29/62/69/945296269.db2.gz CFKBLDRANOCMIO-JARZOMNASA-N 0 0 410.405 4.414 20 5 HIBDRN COc1ccc(CC2CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000543551074 940105536 /nfs/dbraw/zinc/10/55/36/940105536.db2.gz 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CC(=O)c1ccc(F)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000544214776 940356268 /nfs/dbraw/zinc/35/62/68/940356268.db2.gz UNMFFJLNXBZDAH-UHFFFAOYSA-N 0 0 400.284 4.130 20 5 HIBDRN Cc1nn(CCC(=O)N2C[C@@H](C)CSc3ccc(Cl)cc32)c(C)c1[N+](=O)[O-] ZINC000544218472 940357753 /nfs/dbraw/zinc/35/77/53/940357753.db2.gz FNAIHCSPFVQMEX-LLVKDONJSA-N 0 0 408.911 4.227 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)ccc1OCC(F)(F)F ZINC000544238531 940364628 /nfs/dbraw/zinc/36/46/28/940364628.db2.gz JBSUDZSYHNZNOY-UHFFFAOYSA-N 0 0 423.347 4.494 20 5 HIBDRN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000544320515 940389584 /nfs/dbraw/zinc/38/95/84/940389584.db2.gz VESWOGOOOZGLCS-QVKFZJNVSA-N 0 0 406.442 4.012 20 5 HIBDRN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000544323415 940390423 /nfs/dbraw/zinc/39/04/23/940390423.db2.gz QSKFTTQSNXBJAN-VFNWGFHPSA-N 0 0 406.442 4.012 20 5 HIBDRN 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O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000544720155 940507141 /nfs/dbraw/zinc/50/71/41/940507141.db2.gz HGTKKKSQKKUWLA-OAQYLSRUSA-N 0 0 410.495 4.041 20 5 HIBDRN COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000544722648 940507458 /nfs/dbraw/zinc/50/74/58/940507458.db2.gz WPICHGYQPDBLLJ-HNNXBMFYSA-N 0 0 412.467 4.310 20 5 HIBDRN Cc1ccc(C)c(NC(=O)Cc2nc(CN3CCc4c3cccc4[N+](=O)[O-])cs2)c1 ZINC000544757693 940511149 /nfs/dbraw/zinc/51/11/49/940511149.db2.gz XZRKVMZJFSKYDY-UHFFFAOYSA-N 0 0 422.510 4.412 20 5 HIBDRN Cc1c(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] ZINC000544764205 940511881 /nfs/dbraw/zinc/51/18/81/940511881.db2.gz ROBKMYBHWRJNEQ-UHFFFAOYSA-N 0 0 419.275 4.349 20 5 HIBDRN CSc1ccc(N2C[C@@H](c3nc(-c4ccc([N+](=O)[O-])cc4C)no3)CC2=O)cc1 ZINC000544796189 940514866 /nfs/dbraw/zinc/51/48/66/940514866.db2.gz SRHCNAAKUMGTAF-ZDUSSCGKSA-N 0 0 410.455 4.196 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCC[C@H]2CCCCO2)cc1 ZINC000544823971 940517501 /nfs/dbraw/zinc/51/75/01/940517501.db2.gz BLZSZMCDACSOKC-GOSISDBHSA-N 0 0 414.458 4.475 20 5 HIBDRN COc1ccc(C2(CNc3ccc([N+](=O)[O-])cc3OC(F)F)CCOCC2)cc1 ZINC000544858028 940519693 /nfs/dbraw/zinc/51/96/93/940519693.db2.gz MKKSZDKQTRTETJ-UHFFFAOYSA-N 0 0 408.401 4.365 20 5 HIBDRN COc1cc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)ccc1OC(C)C ZINC000544914523 940524862 /nfs/dbraw/zinc/52/48/62/940524862.db2.gz SANCVPIZTICDIY-UHFFFAOYSA-N 0 0 421.413 4.293 20 5 HIBDRN COc1cc(OCc2nc(CCCc3ccccc3Cl)no2)ccc1[N+](=O)[O-] ZINC000544927014 940525965 /nfs/dbraw/zinc/52/59/65/940525965.db2.gz CYOWLWZEBPHLDC-UHFFFAOYSA-N 0 0 403.822 4.394 20 5 HIBDRN CC(C)(c1nc(-c2ccccc2CN2CCCC2=O)no1)c1ccc([N+](=O)[O-])cc1 ZINC000544953797 940527972 /nfs/dbraw/zinc/52/79/72/940527972.db2.gz NZCHACQKFNZAML-UHFFFAOYSA-N 0 0 406.442 4.093 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCc1nc(Cc2cc(Br)ccc2F)no1 ZINC000544954893 940528062 /nfs/dbraw/zinc/52/80/62/940528062.db2.gz SGPNWABKTCZCOE-UHFFFAOYSA-N 0 0 408.183 4.049 20 5 HIBDRN COc1ccc(CSCc2nc([C@@H]3OCCc4ccccc43)no2)cc1[N+](=O)[O-] ZINC000544967582 940529463 /nfs/dbraw/zinc/52/94/63/940529463.db2.gz DRSULNJGSDUJLO-LJQANCHMSA-N 0 0 413.455 4.082 20 5 HIBDRN CN(Cc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1)C(=O)c1ccccc1 ZINC000544986474 940531065 /nfs/dbraw/zinc/53/10/65/940531065.db2.gz QOTZVORGIYLFGI-UHFFFAOYSA-N 0 0 421.438 4.041 20 5 HIBDRN CC(C)C(=O)Nc1cccc(-c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)c1 ZINC000545001547 940532392 /nfs/dbraw/zinc/53/23/92/940532392.db2.gz BIJMHUGWPXMASK-UHFFFAOYSA-N 0 0 418.413 4.092 20 5 HIBDRN CC(C)C(=O)Nc1cccc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000545003614 940532594 /nfs/dbraw/zinc/53/25/94/940532594.db2.gz AMAKRRDPQLIXEE-UHFFFAOYSA-N 0 0 402.357 4.379 20 5 HIBDRN O=[N+]([O-])c1ccc2sc(-c3nc(-c4ccccc4CN4CCOCC4)no3)cc2c1 ZINC000545004131 940532723 /nfs/dbraw/zinc/53/27/23/940532723.db2.gz SXWZEMYHRUORDG-UHFFFAOYSA-N 0 0 422.466 4.359 20 5 HIBDRN CCC[C@H]1C[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CCO1 ZINC000545008569 940533136 /nfs/dbraw/zinc/53/31/36/940533136.db2.gz INUHSWDHGZZUCF-JSGCOSHPSA-N 0 0 410.268 4.394 20 5 HIBDRN COc1cc(-c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)c2ccccc2n1 ZINC000545015961 940533861 /nfs/dbraw/zinc/53/38/61/940533861.db2.gz ZPNOHWRKCLKDRP-UHFFFAOYSA-N 0 0 401.382 4.205 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](C)c2cnn(C(C)C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000563931378 945329266 /nfs/dbraw/zinc/32/92/66/945329266.db2.gz LVEUXUROFFJXEF-NSHDSACASA-N 0 0 410.272 4.326 20 5 HIBDRN C[C@H](Cc1noc(-c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000545047665 940536808 /nfs/dbraw/zinc/53/68/08/940536808.db2.gz ZEXVWXYFWBJKFT-CYBMUJFWSA-N 0 0 422.470 4.271 20 5 HIBDRN CCCCSc1ccc(Cl)cc1-c1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000545050972 940537047 /nfs/dbraw/zinc/53/70/47/940537047.db2.gz QFIUEGAVNWDFCR-UHFFFAOYSA-N 0 0 420.878 4.400 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ccn(-c5ccc(F)cc5)n4)n3)c2c1 ZINC000545074801 940539680 /nfs/dbraw/zinc/53/96/80/940539680.db2.gz 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940788119 /nfs/dbraw/zinc/78/81/19/940788119.db2.gz SAXVRCXVHMAYMH-UHFFFAOYSA-N 0 0 410.340 4.462 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000564024070 945353261 /nfs/dbraw/zinc/35/32/61/945353261.db2.gz MVQPCXRIFOYEPX-UONOGXRCSA-N 0 0 402.447 4.168 20 5 HIBDRN CC(C)NC(=O)Nc1cccc(-c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000546344643 940796569 /nfs/dbraw/zinc/79/65/69/940796569.db2.gz CMYCEFQNELRDBL-UHFFFAOYSA-N 0 0 424.461 4.219 20 5 HIBDRN Cc1c(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)nnn1-c1cccc2cnccc21 ZINC000546396357 940810006 /nfs/dbraw/zinc/81/00/06/940810006.db2.gz NBEVJJXHLKPCQJ-UHFFFAOYSA-N 0 0 413.397 4.058 20 5 HIBDRN O=[N+]([O-])c1ccc2sc(-c3nc(-c4ccc(N5CCOCC5)cc4)no3)cc2c1 ZINC000546408331 940813005 /nfs/dbraw/zinc/81/30/05/940813005.db2.gz UNWVOEHMMVXSQR-UHFFFAOYSA-N 0 0 408.439 4.363 20 5 HIBDRN O=C1C[C@H](c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)CN1c1ccccc1 ZINC000546426793 940817746 /nfs/dbraw/zinc/81/77/46/940817746.db2.gz RAQFRQPUBOWSDY-LBPRGKRZSA-N 0 0 418.331 4.184 20 5 HIBDRN COCCOc1ccc(Cl)cc1-c1noc(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000546468802 940828526 /nfs/dbraw/zinc/82/85/26/940828526.db2.gz UTQQPCAMUVDKPW-UHFFFAOYSA-N 0 0 403.822 4.223 20 5 HIBDRN CO[C@H](c1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1)c1cccc(Cl)c1 ZINC000546476705 940830708 /nfs/dbraw/zinc/83/07/08/940830708.db2.gz ALTZQYRKJWEKED-KRWDZBQOSA-N 0 0 411.805 4.220 20 5 HIBDRN Cc1ccc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c(Br)c1 ZINC000546484538 940832512 /nfs/dbraw/zinc/83/25/12/940832512.db2.gz BGVNMLZBTRNLHI-QPJJXVBHSA-N 0 0 401.220 4.205 20 5 HIBDRN CC(=O)Nc1ccc(-c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)nc1 ZINC000546486192 940833191 /nfs/dbraw/zinc/83/31/91/940833191.db2.gz YJOOUCONYISDKN-UHFFFAOYSA-N 0 0 417.381 4.458 20 5 HIBDRN O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(CCOC[C@H]4CCCO4)n3)cc2)c1 ZINC000546488562 940834235 /nfs/dbraw/zinc/83/42/35/940834235.db2.gz SEONUQACCZAXFQ-LJQANCHMSA-N 0 0 411.414 4.175 20 5 HIBDRN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nccn1-c1ccccc1 ZINC000564020352 945352455 /nfs/dbraw/zinc/35/24/55/945352455.db2.gz DYMIYVXSOKMYAK-SFHVURJKSA-N 0 0 422.488 4.218 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000546492142 940835307 /nfs/dbraw/zinc/83/53/07/940835307.db2.gz ZJOSSDVKEFFUBP-UHFFFAOYSA-N 0 0 424.848 4.010 20 5 HIBDRN COC(=O)c1cccc(-c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)n1 ZINC000546493361 940835704 /nfs/dbraw/zinc/83/57/04/940835704.db2.gz LJEDRSOBVWYOCS-UHFFFAOYSA-N 0 0 418.365 4.286 20 5 HIBDRN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nccn1-c1ccccc1 ZINC000564020351 945352753 /nfs/dbraw/zinc/35/27/53/945352753.db2.gz DYMIYVXSOKMYAK-GOSISDBHSA-N 0 0 422.488 4.218 20 5 HIBDRN C[C@H](Nc1ccc(-c2nc([C@H]3CCO[C@H](C)C3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000546510431 940839445 /nfs/dbraw/zinc/83/94/45/940839445.db2.gz MLGOQOOLCOVHDL-ILXRZTDVSA-N 0 0 409.446 4.495 20 5 HIBDRN CO[C@@H](c1noc(CCc2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1 ZINC000546514977 940840476 /nfs/dbraw/zinc/84/04/76/940840476.db2.gz QSVUWUNBMNUNFF-QGZVFWFLSA-N 0 0 418.247 4.261 20 5 HIBDRN C[C@H]1CO[C@H](c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)CN1Cc1ccccc1 ZINC000546514323 940840680 /nfs/dbraw/zinc/84/06/80/940840680.db2.gz IMPLRAKWMMRNTF-XUBBYMEQSA-N 0 0 406.442 4.110 20 5 HIBDRN CC(C)(C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000546529653 940845332 /nfs/dbraw/zinc/84/53/32/940845332.db2.gz MAVHVNSNNNPKNK-ROUUACIJSA-N 0 0 424.831 4.450 20 5 HIBDRN CO[C@H](C)c1nc(Cc2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)cs1 ZINC000546532834 940845622 /nfs/dbraw/zinc/84/56/22/940845622.db2.gz DRMOTKGASAVYPQ-MRVPVSSYSA-N 0 0 412.374 4.001 20 5 HIBDRN COCc1cccc2sc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)nc21 ZINC000546536258 940846685 /nfs/dbraw/zinc/84/66/85/940846685.db2.gz TYTGNLLKZHRCPR-UHFFFAOYSA-N 0 0 403.435 4.406 20 5 HIBDRN CCN(CC)C(=O)Cc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000546535808 940846794 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HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000546884900 940900531 /nfs/dbraw/zinc/90/05/31/940900531.db2.gz FUIXBQRXTFZCAY-LJQANCHMSA-N 0 0 414.487 4.051 20 5 HIBDRN CN(C[C@H]1CCCO1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000546935741 940918775 /nfs/dbraw/zinc/91/87/75/940918775.db2.gz TVQALDMVWUQQIH-VQIMIIECSA-N 0 0 403.866 4.039 20 5 HIBDRN Cc1sc2[nH]c(Cc3noc(-c4cc(Cl)cc([N+](=O)[O-])c4)n3)nc(=O)c2c1C ZINC000546945421 940922283 /nfs/dbraw/zinc/92/22/83/940922283.db2.gz WTYOKTXUQSNEHD-UHFFFAOYSA-N 0 0 417.834 4.216 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(F)c3)no2)c(I)c1 ZINC000546955697 940926839 /nfs/dbraw/zinc/92/68/39/940926839.db2.gz JVTQOTDIFIPBGF-UHFFFAOYSA-N 0 0 411.130 4.056 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc(-c3ccccn3)no2)cc1 ZINC000546967270 940931707 /nfs/dbraw/zinc/93/17/07/940931707.db2.gz XOKBNKHEBPKZJP-UHFFFAOYSA-N 0 0 424.420 4.483 20 5 HIBDRN COc1cc(OCc2nc(-c3cc(F)ccc3C(F)(F)F)no2)ccc1[N+](=O)[O-] 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/nfs/dbraw/zinc/27/36/92/941273692.db2.gz ZOLXYSCUUMSRSL-FQEVSTJZSA-N 0 0 407.474 4.059 20 5 HIBDRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCCO2)C1 ZINC000550053631 941274631 /nfs/dbraw/zinc/27/46/31/941274631.db2.gz KPJXUQWTXBDHLB-FXAWDEMLSA-N 0 0 413.522 4.295 20 5 HIBDRN CC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1Cl ZINC000550072580 941279900 /nfs/dbraw/zinc/27/99/00/941279900.db2.gz JRGZVQYFPVQXAV-UHFFFAOYSA-N 0 0 401.728 4.478 20 5 HIBDRN COc1c(F)cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1F ZINC000550176830 941293835 /nfs/dbraw/zinc/29/38/35/941293835.db2.gz VALMVBQTNCMMAF-UHFFFAOYSA-N 0 0 401.163 4.205 20 5 HIBDRN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000550304592 941311841 /nfs/dbraw/zinc/31/18/41/941311841.db2.gz HGALFXDBYOFRTP-INIZCTEOSA-N 0 0 403.442 4.039 20 5 HIBDRN CC(=O)c1cc(N2CCO[C@H](c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000550386153 941320566 /nfs/dbraw/zinc/32/05/66/941320566.db2.gz COMMHDJZFFVPGA-SFHVURJKSA-N 0 0 405.248 4.138 20 5 HIBDRN CCOc1cc(Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1[N+](=O)[O-] ZINC000550433996 941326717 /nfs/dbraw/zinc/32/67/17/941326717.db2.gz HNHUDQZBVWRFGI-UHFFFAOYSA-N 0 0 407.451 4.480 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000550600907 941345079 /nfs/dbraw/zinc/34/50/79/941345079.db2.gz SIRWWXAPOJKJBY-UHFFFAOYSA-N 0 0 401.220 4.308 20 5 HIBDRN Cc1cnn(-c2ccccc2)c1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550655801 941350838 /nfs/dbraw/zinc/35/08/38/941350838.db2.gz XJIPBDLAKBYYCD-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CCOC(=O)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550719948 941359200 /nfs/dbraw/zinc/35/92/00/941359200.db2.gz ZTFHYNRORBYLKM-UHFFFAOYSA-N 0 0 421.247 4.024 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(CC(F)(F)F)CC1 ZINC000551126925 941414956 /nfs/dbraw/zinc/41/49/56/941414956.db2.gz HWWQLGFIQVBKGS-UHFFFAOYSA-N 0 0 421.224 4.255 20 5 HIBDRN COc1cccc2c1ncc(C)c2NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000551284560 941443458 /nfs/dbraw/zinc/44/34/58/941443458.db2.gz MFTGUPHMDKXJRI-UHFFFAOYSA-N 0 0 416.231 4.475 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000551331585 941453514 /nfs/dbraw/zinc/45/35/14/941453514.db2.gz BOZFRJOKYQCJLK-UHFFFAOYSA-N 0 0 417.162 4.220 20 5 HIBDRN Cc1c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000551333440 941454039 /nfs/dbraw/zinc/45/40/39/941454039.db2.gz VHKFHWGVNLCPOI-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000551335780 941454956 /nfs/dbraw/zinc/45/49/56/941454956.db2.gz JOAVYCYBNUDQRE-QLJPJBMISA-N 0 0 418.247 4.204 20 5 HIBDRN CCS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000551353545 941459662 /nfs/dbraw/zinc/45/96/62/941459662.db2.gz HNRTXOMBHXHTCL-UHFFFAOYSA-N 0 0 418.515 4.257 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551357673 941460718 /nfs/dbraw/zinc/46/07/18/941460718.db2.gz KDWJPQFSMOAWAY-UHFFFAOYSA-N 0 0 403.847 4.067 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2cccnc2)nc1 ZINC000551392479 941468057 /nfs/dbraw/zinc/46/80/57/941468057.db2.gz FYNZKIJPVZIXEU-UHFFFAOYSA-N 0 0 407.430 4.322 20 5 HIBDRN C[C@@H](Cc1cnc2ccccc2n1)c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000551396852 941469507 /nfs/dbraw/zinc/46/95/07/941469507.db2.gz WEFOGKCYDPTFQF-ZDUSSCGKSA-N 0 0 414.425 4.339 20 5 HIBDRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000551425997 941476704 /nfs/dbraw/zinc/47/67/04/941476704.db2.gz RWGHSSIQDYEUNV-UHFFFAOYSA-N 0 0 421.497 4.414 20 5 HIBDRN C[C@@H](Cn1ncc2ccccc21)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000551461359 941484159 /nfs/dbraw/zinc/48/41/59/941484159.db2.gz LXGBHUPJNKNJBN-ZDUSSCGKSA-N 0 0 407.455 4.343 20 5 HIBDRN O=c1[nH]c(-c2n[nH]c(-c3cccc(Br)c3)n2)nc2cc3ccccc3cc21 ZINC000551596755 941509221 /nfs/dbraw/zinc/50/92/21/941509221.db2.gz VKAPNRABPRKLDN-UHFFFAOYSA-N 0 0 418.254 4.291 20 5 HIBDRN COc1ncc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1Cl ZINC000551612982 941512298 /nfs/dbraw/zinc/51/22/98/941512298.db2.gz YELPEYOYRHRGQN-UHFFFAOYSA-N 0 0 404.835 4.052 20 5 HIBDRN Cc1c(Cl)cccc1N1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000551772809 941542664 /nfs/dbraw/zinc/54/26/64/941542664.db2.gz SSLKXFPCWNYMFY-UHFFFAOYSA-N 0 0 412.877 4.390 20 5 HIBDRN Cn1ccnc1[C@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000552043355 941572577 /nfs/dbraw/zinc/57/25/77/941572577.db2.gz JQNHLPLFUKUABX-HXUWFJFHSA-N 0 0 422.485 4.163 20 5 HIBDRN Cn1ccnc1[C@@H](NCCCO[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000552062047 941577373 /nfs/dbraw/zinc/57/73/73/941577373.db2.gz JIQBVMRYJHYIMM-PKTZIBPZSA-N 0 0 420.513 4.492 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1c[nH]nc1-c1ccccc1F ZINC000552215604 941605429 /nfs/dbraw/zinc/60/54/29/941605429.db2.gz AIOVCJGBYLDOHP-UHFFFAOYSA-N 0 0 419.210 4.447 20 5 HIBDRN Cn1ccnc1[C@H](NC[C@H]1CCCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552252789 941614615 /nfs/dbraw/zinc/61/46/15/941614615.db2.gz XSCZTQDSPCBWNS-FCEUIQTBSA-N 0 0 406.486 4.175 20 5 HIBDRN COc1cc(CN2CCOC3(CCCCC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552277717 941620763 /nfs/dbraw/zinc/62/07/63/941620763.db2.gz GYNPFHIRAJSCFK-UHFFFAOYSA-N 0 0 418.412 4.080 20 5 HIBDRN C[C@H](N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)cs1 ZINC000552277305 941620999 /nfs/dbraw/zinc/62/09/99/941620999.db2.gz RSZXDWSPGGWCAN-LIRRHRJNSA-N 0 0 420.498 4.287 20 5 HIBDRN COCCCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC ZINC000552293732 941624231 /nfs/dbraw/zinc/62/42/31/941624231.db2.gz IQWXDSLXBNNIDU-UHFFFAOYSA-N 0 0 416.455 4.486 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2c(Br)cccn12 ZINC000552296885 941626052 /nfs/dbraw/zinc/62/60/52/941626052.db2.gz UJVGSMZCTHNBEW-JTQLQIEISA-N 0 0 421.276 4.124 20 5 HIBDRN CCn1cc(CN(C)Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000552300501 941626672 /nfs/dbraw/zinc/62/66/72/941626672.db2.gz LVHCLZJKVIUKKP-UHFFFAOYSA-N 0 0 410.474 4.031 20 5 HIBDRN C[C@H]1COCC[C@@H]1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000552336349 941636215 /nfs/dbraw/zinc/63/62/15/941636215.db2.gz ZYTGXPAZALARGJ-GOEBONIOSA-N 0 0 417.893 4.263 20 5 HIBDRN CC(C)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)cc1 ZINC000552382017 941650862 /nfs/dbraw/zinc/65/08/62/941650862.db2.gz RJRPZVNWWKCFAP-MRXNPFEDSA-N 0 0 404.850 4.189 20 5 HIBDRN CCn1ncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000552397062 941657445 /nfs/dbraw/zinc/65/74/45/941657445.db2.gz ONRFARQTLUBISO-UHFFFAOYSA-N 0 0 415.247 4.493 20 5 HIBDRN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCn2nccc21 ZINC000552415594 941664020 /nfs/dbraw/zinc/66/40/20/941664020.db2.gz CSPZWVATXSTPID-UHFFFAOYSA-N 0 0 400.847 4.256 20 5 HIBDRN Cc1cc(CCNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)on1 ZINC000552711581 941743151 /nfs/dbraw/zinc/74/31/51/941743151.db2.gz GXSMDRJJKAYETH-UHFFFAOYSA-N 0 0 414.849 4.129 20 5 HIBDRN O=C(NCc1cc(F)c(F)cc1Br)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000552718429 941744652 /nfs/dbraw/zinc/74/46/52/941744652.db2.gz YCSQGXMZPIRVOR-UHFFFAOYSA-N 0 0 405.582 4.219 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CC(C)(C)[C@H]3c3cccnc3)cc2[N+](=O)[O-])CC1 ZINC000552741561 941750092 /nfs/dbraw/zinc/75/00/92/941750092.db2.gz CYFSLGHNBOAIGE-OAQYLSRUSA-N 0 0 408.502 4.449 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000552827325 941779420 /nfs/dbraw/zinc/77/94/20/941779420.db2.gz QIJGLVBWXLZGJY-ACJLOTCBSA-N 0 0 408.376 4.145 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000552853081 941788827 /nfs/dbraw/zinc/78/88/27/941788827.db2.gz JUZVRDJADWSUTH-AWEZNQCLSA-N 0 0 416.524 4.173 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2Sc2nnc(Cc3cccs3)n2C2CC2)s1 ZINC000552924858 941803880 /nfs/dbraw/zinc/80/38/80/941803880.db2.gz ZITQZRGLYTZNEK-UHFFFAOYSA-N 0 0 416.513 4.329 20 5 HIBDRN COc1ccc(CNc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] ZINC000552980451 941811665 /nfs/dbraw/zinc/81/16/65/941811665.db2.gz BINVZUSLVHHXFO-UHFFFAOYSA-N 0 0 409.417 4.285 20 5 HIBDRN CCCCc1nc(-c2ccc(Oc3nc(C)cc(C(=O)OC)c3[N+](=O)[O-])cc2)no1 ZINC000553000672 941813842 /nfs/dbraw/zinc/81/38/42/941813842.db2.gz SULVAJLRKBKUBL-UHFFFAOYSA-N 0 0 412.402 4.270 20 5 HIBDRN O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000553100754 941832789 /nfs/dbraw/zinc/83/27/89/941832789.db2.gz WPACMDCZQUZIBS-CQSZACIVSA-N 0 0 403.649 4.409 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000553137407 941838611 /nfs/dbraw/zinc/83/86/11/941838611.db2.gz VOTZRVYLUNSKTC-IBGZPJMESA-N 0 0 423.391 4.258 20 5 HIBDRN C[C@H]1Cc2cc(-c3ccc(CNc4cccc(C(N)=O)c4[N+](=O)[O-])cc3)ccc2O1 ZINC000553143589 941840069 /nfs/dbraw/zinc/84/00/69/941840069.db2.gz PLHAFZPWHMYADW-AWEZNQCLSA-N 0 0 403.438 4.296 20 5 HIBDRN COC(=O)c1cc(C)nc(N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1[N+](=O)[O-] ZINC000553148778 941840623 /nfs/dbraw/zinc/84/06/23/941840623.db2.gz CDHGMEIHHKFQJW-UHFFFAOYSA-N 0 0 418.453 4.316 20 5 HIBDRN O=C(Nc1ccc(O)cc1)C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553173697 941844895 /nfs/dbraw/zinc/84/48/95/941844895.db2.gz WLQFSWUOISXZGA-UHFFFAOYSA-N 0 0 410.257 4.462 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@@H](C)c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000553213163 941850558 /nfs/dbraw/zinc/85/05/58/941850558.db2.gz OSJDNNUMBGXMBM-QMMMGPOBSA-N 0 0 400.254 4.082 20 5 HIBDRN O=C(NCc1cc(F)c(F)cc1Br)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000553247765 941856428 /nfs/dbraw/zinc/85/64/28/941856428.db2.gz ODFVKAMPZVLCPO-UHFFFAOYSA-N 0 0 410.174 4.047 20 5 HIBDRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000553290540 941861424 /nfs/dbraw/zinc/86/14/24/941861424.db2.gz YBCUGCFVXCUEIO-UHFFFAOYSA-N 0 0 403.504 4.063 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000553311921 941865538 /nfs/dbraw/zinc/86/55/38/941865538.db2.gz PALVYKDWPRTDIE-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN Cc1ccc2c(c1)CN(c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])CCO2 ZINC000553334866 941868837 /nfs/dbraw/zinc/86/88/37/941868837.db2.gz GPJZDZNHLRBXHU-UHFFFAOYSA-N 0 0 403.307 4.351 20 5 HIBDRN CC1(C)CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](COc2ccccc2)O1 ZINC000553343170 941870098 /nfs/dbraw/zinc/87/00/98/941870098.db2.gz GYUTWGLPMSIPRD-CQSZACIVSA-N 0 0 411.380 4.071 20 5 HIBDRN COc1ccccc1[C@H]1C[C@@H](C)CCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000553367916 941873709 /nfs/dbraw/zinc/87/37/09/941873709.db2.gz HBLZDQZPIDLWLM-GXTWGEPZSA-N 0 0 410.517 4.046 20 5 HIBDRN CC(=O)c1cc(N[C@@H]2CCN(c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000553370182 941874371 /nfs/dbraw/zinc/87/43/71/941874371.db2.gz OFPWYGRKIITPOB-OAHLLOKOSA-N 0 0 404.264 4.251 20 5 HIBDRN Cc1c(CC(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000553382336 941877138 /nfs/dbraw/zinc/87/71/38/941877138.db2.gz MQNRRDFNZJZTQI-ORAYPTAESA-N 0 0 422.403 4.453 20 5 HIBDRN CCn1cnnc1-c1cccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC000553394187 941878608 /nfs/dbraw/zinc/87/86/08/941878608.db2.gz INWUFHFJNYPKBR-UHFFFAOYSA-N 0 0 414.425 4.188 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCc4cc(Br)cc(F)c4C3)nc2c1 ZINC000553403766 941879808 /nfs/dbraw/zinc/87/98/08/941879808.db2.gz AOEARBFNJJVJEA-UHFFFAOYSA-N 0 0 406.211 4.196 20 5 HIBDRN Cc1ccc([C@H](C)N(C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000553544752 941905769 /nfs/dbraw/zinc/90/57/69/941905769.db2.gz OUZAGNHNTZPSQD-LBPRGKRZSA-N 0 0 413.293 4.047 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000553591519 941915441 /nfs/dbraw/zinc/91/54/41/941915441.db2.gz DZPNYPBNXPAKSS-OAHLLOKOSA-N 0 0 402.170 4.106 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCCO)cc1 ZINC000553632546 941926963 /nfs/dbraw/zinc/92/69/63/941926963.db2.gz APTUHJAAEQBGJU-UHFFFAOYSA-N 0 0 404.488 4.356 20 5 HIBDRN CC(C)(NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000553720171 941951470 /nfs/dbraw/zinc/95/14/70/941951470.db2.gz RFRZJIFQWWLQSC-UHFFFAOYSA-N 0 0 404.422 4.197 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cc(F)c(C(F)(F)F)cc2F)c1 ZINC000553720502 941951666 /nfs/dbraw/zinc/95/16/66/941951666.db2.gz WCLXJIIWQHYQDK-UHFFFAOYSA-N 0 0 418.318 4.286 20 5 HIBDRN COc1cccc(C(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000553721303 941951904 /nfs/dbraw/zinc/95/19/04/941951904.db2.gz BUZAJRZMOAIGJQ-YVEFUNNKSA-N 0 0 424.375 4.224 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000553742182 941956698 /nfs/dbraw/zinc/95/66/98/941956698.db2.gz GQABPNZMZNTKLN-UHFFFAOYSA-N 0 0 410.449 4.423 20 5 HIBDRN CCN(C)C(=O)c1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000553805508 941973358 /nfs/dbraw/zinc/97/33/58/941973358.db2.gz WKYRUYQNWYDONS-UHFFFAOYSA-N 0 0 410.455 4.063 20 5 HIBDRN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1OCCc2sccc21 ZINC000553859257 941985172 /nfs/dbraw/zinc/98/51/72/941985172.db2.gz RLQZRBQMQWKJCA-BJOHPYRUSA-N 0 0 400.378 4.107 20 5 HIBDRN 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942053738 /nfs/dbraw/zinc/05/37/38/942053738.db2.gz FKEWDWCPCKJJSF-MRXNPFEDSA-N 0 0 424.501 4.175 20 5 HIBDRN C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1OCCc2sccc21 ZINC000554205728 942065861 /nfs/dbraw/zinc/06/58/61/942065861.db2.gz ROELTIUFSHRDLA-XMHCIUCPSA-N 0 0 404.491 4.175 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000554269536 942085589 /nfs/dbraw/zinc/08/55/89/942085589.db2.gz BAOQJXUESIKUMN-PKOBYXMFSA-N 0 0 416.478 4.344 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000554412350 942132398 /nfs/dbraw/zinc/13/23/98/942132398.db2.gz HUDIMMLARLEMTC-INIZCTEOSA-N 0 0 412.490 4.138 20 5 HIBDRN COCc1c(Br)cccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000554424185 942137774 /nfs/dbraw/zinc/13/77/74/942137774.db2.gz YZVBUQDNFTYQAK-UHFFFAOYSA-N 0 0 422.279 4.210 20 5 HIBDRN CNc1ccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] ZINC000554545180 942165755 /nfs/dbraw/zinc/16/57/55/942165755.db2.gz GWHCXUAPSMDLRM-UHFFFAOYSA-N 0 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HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC000557364162 943087426 /nfs/dbraw/zinc/08/74/26/943087426.db2.gz XUBFFLMTCRZVPZ-UHFFFAOYSA-N 0 0 405.376 4.420 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccnn2C)CC1 ZINC000557405941 943108272 /nfs/dbraw/zinc/10/82/72/943108272.db2.gz RUBZQJNFMVHUCD-UHFFFAOYSA-N 0 0 400.504 4.006 20 5 HIBDRN CCCc1n[nH]c(C(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000557458168 943139181 /nfs/dbraw/zinc/13/91/81/943139181.db2.gz WIYSODBHHGFZHQ-UONOGXRCSA-N 0 0 410.396 4.355 20 5 HIBDRN CC[C@@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)OCCO2 ZINC000557483775 943161511 /nfs/dbraw/zinc/16/15/11/943161511.db2.gz UVTROGVAYKKKSG-CXAGYDPISA-N 0 0 410.430 4.218 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC000557501795 943172407 /nfs/dbraw/zinc/17/24/07/943172407.db2.gz JJGZAHSRRHYSAC-ZDUSSCGKSA-N 0 0 420.462 4.411 20 5 HIBDRN CC(C)[C@@](C)(NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(N)=O ZINC000557550602 943205125 /nfs/dbraw/zinc/20/51/25/943205125.db2.gz QSFFTFCCHKGTDX-LJQANCHMSA-N 0 0 421.906 4.029 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000557560647 943208226 /nfs/dbraw/zinc/20/82/26/943208226.db2.gz WOITUIRJPUYCAC-HNNXBMFYSA-N 0 0 417.506 4.491 20 5 HIBDRN Cc1cccc(C)c1OC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000557577609 943217146 /nfs/dbraw/zinc/21/71/46/943217146.db2.gz UTRPPTCBQVUZBX-OAQYLSRUSA-N 0 0 419.481 4.220 20 5 HIBDRN CC(C)NC(=O)c1ccc(NCc2ccncc2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000557700885 943262795 /nfs/dbraw/zinc/26/27/95/943262795.db2.gz YDFYXMYDGILBNB-UHFFFAOYSA-N 0 0 420.469 4.319 20 5 HIBDRN COc1ccc(CSCC(=O)NCCCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000557807274 943298214 /nfs/dbraw/zinc/29/82/14/943298214.db2.gz ISQPFGMAYAYGCX-UHFFFAOYSA-N 0 0 408.907 4.239 20 5 HIBDRN CCOc1cc(NC(=O)c2c(C)onc2-c2cccnc2)c([N+](=O)[O-])cc1OCC ZINC000558026176 943359643 /nfs/dbraw/zinc/35/96/43/943359643.db2.gz WYRMKSPIYVGUKK-UHFFFAOYSA-N 0 0 412.402 4.003 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000558283588 943481364 /nfs/dbraw/zinc/48/13/64/943481364.db2.gz URUIPODSWKKSJS-ZDUSSCGKSA-N 0 0 422.388 4.214 20 5 HIBDRN O=[N+]([O-])c1cc2c(c(-c3nc(-c4ccc(Oc5cccnc5)cc4)no3)c1)OCCO2 ZINC000558311013 943498209 /nfs/dbraw/zinc/49/82/09/943498209.db2.gz IDZHNMQANPMUMQ-UHFFFAOYSA-N 0 0 418.365 4.270 20 5 HIBDRN CC(C)Nc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cn1 ZINC000558343021 943518058 /nfs/dbraw/zinc/51/80/58/943518058.db2.gz VBOXWADBUUUJEZ-UHFFFAOYSA-N 0 0 418.251 4.213 20 5 HIBDRN COc1cccc(-c2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)c1[N+](=O)[O-] ZINC000558385507 943539375 /nfs/dbraw/zinc/53/93/75/943539375.db2.gz CWQALKFOJHZCFN-UHFFFAOYSA-N 0 0 415.768 4.299 20 5 HIBDRN Cc1ccc(Cc2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)s1 ZINC000558393376 943545142 /nfs/dbraw/zinc/54/51/42/943545142.db2.gz NBCLAKDLMFXPLK-KRWDZBQOSA-N 0 0 412.471 4.224 20 5 HIBDRN C[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000558459526 943565237 /nfs/dbraw/zinc/56/52/37/943565237.db2.gz IVWICXQGUDTLFV-VIFPVBQESA-N 0 0 418.181 4.328 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000558513754 943582908 /nfs/dbraw/zinc/58/29/08/943582908.db2.gz VAQFCEBQQYYSPR-UHFFFAOYSA-N 0 0 401.438 4.166 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](OC(C)C)c1ccccc1OC ZINC000558516203 943585021 /nfs/dbraw/zinc/58/50/21/943585021.db2.gz SBCKWDXVATUZJA-HXUWFJFHSA-N 0 0 401.463 4.454 20 5 HIBDRN CSC[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 ZINC000558626163 943620676 /nfs/dbraw/zinc/62/06/76/943620676.db2.gz ZVUWXDFFTOIBES-LJQANCHMSA-N 0 0 409.515 4.233 20 5 HIBDRN Cc1ccc(Cc2ccccn2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000558736052 943635267 /nfs/dbraw/zinc/63/52/67/943635267.db2.gz ODLGYTVLMULLAD-UHFFFAOYSA-N 0 0 423.494 4.226 20 5 HIBDRN C[C@H]1CC(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000558812334 943673992 /nfs/dbraw/zinc/67/39/92/943673992.db2.gz GGCWJTNCAKKHJK-RYUDHWBXSA-N 0 0 420.453 4.416 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 ZINC000558819005 943676959 /nfs/dbraw/zinc/67/69/59/943676959.db2.gz DNRUEMOYXVNASN-UHFFFAOYSA-N 0 0 424.413 4.161 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@](F)(c2ccccc2F)C1 ZINC000558819532 943678141 /nfs/dbraw/zinc/67/81/41/943678141.db2.gz HVMVGRILGYSDIO-IBGZPJMESA-N 0 0 410.804 4.254 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)c1 ZINC000558830527 943683440 /nfs/dbraw/zinc/68/34/40/943683440.db2.gz GEIOWIPIRYHGGL-HNNXBMFYSA-N 0 0 408.458 4.198 20 5 HIBDRN CCc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CCc1ccccc1 ZINC000558942174 943762137 /nfs/dbraw/zinc/76/21/37/943762137.db2.gz URYBKAKSAFSQCZ-UHFFFAOYSA-N 0 0 421.501 4.039 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](CC(C)C)C1 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GNURHROIOZSPJX-UHFFFAOYSA-N 0 0 401.429 4.083 20 5 HIBDRN Cc1cc(C)cc(CN(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)c1 ZINC000559176052 943862697 /nfs/dbraw/zinc/86/26/97/943862697.db2.gz UQJFQMKTFYHQDU-SFHVURJKSA-N 0 0 421.501 4.143 20 5 HIBDRN CC(C)(C)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)C1 ZINC000559210483 943873290 /nfs/dbraw/zinc/87/32/90/943873290.db2.gz HXMFFAKCDANNJL-SJLPKXTDSA-N 0 0 413.522 4.152 20 5 HIBDRN CN(Cc1cccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCCO1 ZINC000559213240 943874667 /nfs/dbraw/zinc/87/46/67/943874667.db2.gz NCGGALOBAWMUJO-QGZVFWFLSA-N 0 0 413.503 4.120 20 5 HIBDRN CN(Cc1cccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 ZINC000559213239 943874714 /nfs/dbraw/zinc/87/47/14/943874714.db2.gz NCGGALOBAWMUJO-KRWDZBQOSA-N 0 0 413.503 4.120 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@]4(CC=CCC4)C3)n2C[C@H]2CCOC2)cc1 ZINC000559215616 943875506 /nfs/dbraw/zinc/87/55/06/943875506.db2.gz XAGNCULNFDBVKZ-WZONZLPQSA-N 0 0 423.517 4.217 20 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KAZMZEVJDCFCRQ-NSHDSACASA-N 0 0 400.822 4.273 20 5 HIBDRN CC(=O)c1cccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000572287994 947876531 /nfs/dbraw/zinc/87/65/31/947876531.db2.gz ACMDQIIHAVKMTD-UHFFFAOYSA-N 0 0 406.388 4.092 20 5 HIBDRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000572324053 947885215 /nfs/dbraw/zinc/88/52/15/947885215.db2.gz GBBDFOCMEZEMLG-UHFFFAOYSA-N 0 0 423.391 4.331 20 5 HIBDRN CCCc1noc2nc(CC)cc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)c12 ZINC000572523343 947927835 /nfs/dbraw/zinc/92/78/35/947927835.db2.gz FKGDKEPPEIOKBN-UHFFFAOYSA-N 0 0 422.445 4.351 20 5 HIBDRN Cc1cc(NCc2cccc(OCC(=O)N(C)C)c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000572728147 947993640 /nfs/dbraw/zinc/99/36/40/947993640.db2.gz BDOZESYPDGZBAT-UHFFFAOYSA-N 0 0 411.380 4.001 20 5 HIBDRN COc1cc(OCC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)ccc1[N+](=O)[O-] ZINC000572744370 947998236 /nfs/dbraw/zinc/99/82/36/947998236.db2.gz KJWPPJRAOGUQGT-HNNXBMFYSA-N 0 0 423.425 4.047 20 5 HIBDRN C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000572754828 948001694 /nfs/dbraw/zinc/00/16/94/948001694.db2.gz HVHDAGTXCAULQZ-SNVBAGLBSA-N 0 0 418.318 4.234 20 5 HIBDRN COc1cc(CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])ccc1Cl ZINC000572794291 948012868 /nfs/dbraw/zinc/01/28/68/948012868.db2.gz IRDOJPJVOXBXKW-UHFFFAOYSA-N 0 0 411.845 4.291 20 5 HIBDRN O=C(Nc1ncc(Cc2ccccc2)s1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000572804450 948015935 /nfs/dbraw/zinc/01/59/35/948015935.db2.gz DKONPKJLRMHVDH-UHFFFAOYSA-N 0 0 410.455 4.069 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1Cl ZINC000572991085 948053423 /nfs/dbraw/zinc/05/34/23/948053423.db2.gz UGAYRYZSGXECNS-UHFFFAOYSA-N 0 0 402.712 4.306 20 5 HIBDRN CCOc1ccc([C@H](C)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000573034356 948065485 /nfs/dbraw/zinc/06/54/85/948065485.db2.gz RQSIUOOHQHLPDK-INIZCTEOSA-N 0 0 420.469 4.492 20 5 HIBDRN CN(C)c1cccnc1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000573145990 948088450 /nfs/dbraw/zinc/08/84/50/948088450.db2.gz DWBXYDRBMMNDKB-UHFFFAOYSA-N 0 0 408.483 4.137 20 5 HIBDRN CC(C)c1cc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)n(-c2ccccc2)n1 ZINC000573170922 948099618 /nfs/dbraw/zinc/09/96/18/948099618.db2.gz RKKPMHMMFDEGMV-UHFFFAOYSA-N 0 0 421.457 4.330 20 5 HIBDRN CN(C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1ccc([N+](=O)[O-])nc1 ZINC000573262111 948130285 /nfs/dbraw/zinc/13/02/85/948130285.db2.gz YHMAJXAZHLSQJV-UHFFFAOYSA-N 0 0 404.401 4.409 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CCC(c4noc5cc(F)ccc54)CC3)n2)c1 ZINC000573408625 948195453 /nfs/dbraw/zinc/19/54/53/948195453.db2.gz GSYQXRFKKSEMDT-UHFFFAOYSA-N 0 0 423.404 4.305 20 5 HIBDRN CO[C@@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)C1 ZINC000573453508 948206030 /nfs/dbraw/zinc/20/60/30/948206030.db2.gz UGOITEVGHQJTEZ-QHCPKHFHSA-N 0 0 421.501 4.101 20 5 HIBDRN CNc1c(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000573460794 948206764 /nfs/dbraw/zinc/20/67/64/948206764.db2.gz 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COc1cc2c(cc1Cl)CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000573833509 948305911 /nfs/dbraw/zinc/30/59/11/948305911.db2.gz OYIFRECGFYBZQL-UHFFFAOYSA-N 0 0 406.841 4.258 20 5 HIBDRN CC[C@H](c1nnc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)s1)c1ccccc1 ZINC000573938948 948328815 /nfs/dbraw/zinc/32/88/15/948328815.db2.gz NYEJAFXFBZJQEC-INIZCTEOSA-N 0 0 423.498 4.578 20 5 HIBDRN CC(C)N(Cc1cc(I)cc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000573964548 948336397 /nfs/dbraw/zinc/33/63/97/948336397.db2.gz PDKOVLWJLRCZPH-UHFFFAOYSA-N 0 0 411.243 4.005 20 5 HIBDRN O=[N+]([O-])c1cc2c(cc1Cc1nc(-c3ccccc3C(F)(F)F)no1)OCCO2 ZINC000574090273 948362524 /nfs/dbraw/zinc/36/25/24/948362524.db2.gz RYYLNHYIZQBEQF-UHFFFAOYSA-N 0 0 407.304 4.026 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc([N+](=O)[O-])c1C ZINC000574218762 948389511 /nfs/dbraw/zinc/38/95/11/948389511.db2.gz HTSSOCMPHFCQOR-INIZCTEOSA-N 0 0 421.453 4.377 20 5 HIBDRN C[C@@](O)(C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1)C(F)(F)F ZINC000574253744 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O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000575555973 948680078 /nfs/dbraw/zinc/68/00/78/948680078.db2.gz LSGMPWCZXQRSIW-RHSMWYFYSA-N 0 0 405.248 4.007 20 5 HIBDRN Cc1cccc([C@@H](c2noc(-c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)n2)C(C)C)c1 ZINC000575591213 948681830 /nfs/dbraw/zinc/68/18/30/948681830.db2.gz YDVALRYOPFNBIX-SFHVURJKSA-N 0 0 415.471 4.145 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000575736739 948690218 /nfs/dbraw/zinc/69/02/18/948690218.db2.gz DHUMBQZXLXGULY-ZACQAIPSSA-N 0 0 409.486 4.455 20 5 HIBDRN C[C@H](C(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000575891966 948754527 /nfs/dbraw/zinc/75/45/27/948754527.db2.gz ZWCLAFCRQAHGID-VBKZILBWSA-N 0 0 422.403 4.235 20 5 HIBDRN CCOc1c(Cl)cccc1Cc1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000575904694 948768799 /nfs/dbraw/zinc/76/87/99/948768799.db2.gz LQBMIFAHAPRTHT-UHFFFAOYSA-N 0 0 403.822 4.220 20 5 HIBDRN 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0 0 415.446 4.122 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000015504606 846054885 /nfs/dbraw/zinc/05/48/85/846054885.db2.gz QGNYQRNVQFETDO-MRXNPFEDSA-N 0 0 412.490 4.279 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)Nc2ccc3oc4ccccc4c3c2)ccc1[N+](=O)[O-] ZINC000015568209 846064262 /nfs/dbraw/zinc/06/42/62/846064262.db2.gz RHSOIERDKALUGT-UHFFFAOYSA-N 0 0 403.394 4.171 20 5 HIBDRN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000015644446 846079842 /nfs/dbraw/zinc/07/98/42/846079842.db2.gz NFDLWQQYTRLUFJ-SECBINFHSA-N 0 0 416.739 4.451 20 5 HIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000015652977 846080380 /nfs/dbraw/zinc/08/03/80/846080380.db2.gz XUVRRXCDJWRGEG-SECBINFHSA-N 0 0 416.739 4.451 20 5 HIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000015652979 846080504 /nfs/dbraw/zinc/08/05/04/846080504.db2.gz XUVRRXCDJWRGEG-VIFPVBQESA-N 0 0 416.739 4.451 20 5 HIBDRN COC(=O)c1cc(C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000015696253 846084685 /nfs/dbraw/zinc/08/46/85/846084685.db2.gz LBNWFEHADYUSOZ-MRVPVSSYSA-N 0 0 415.204 4.318 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000015801218 846093045 /nfs/dbraw/zinc/09/30/45/846093045.db2.gz NMHHQCPHWWMNKU-SNVBAGLBSA-N 0 0 411.277 4.485 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000015809781 846094264 /nfs/dbraw/zinc/09/42/64/846094264.db2.gz UZPVWOLFMPOCCL-SECBINFHSA-N 0 0 424.219 4.112 20 5 HIBDRN Cc1cc(C)cc(OCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1 ZINC000016014885 846113183 /nfs/dbraw/zinc/11/31/83/846113183.db2.gz VPMUNZPSYFLXQO-UHFFFAOYSA-N 0 0 424.457 4.078 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000016144705 846129652 /nfs/dbraw/zinc/12/96/52/846129652.db2.gz AHWOJAZKQMVGQO-MRXNPFEDSA-N 0 0 422.384 4.009 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000016147516 846130760 /nfs/dbraw/zinc/13/07/60/846130760.db2.gz NTOAJSZIBDPZAI-UHFFFAOYSA-N 0 0 410.757 4.076 20 5 HIBDRN Cc1nc(-c2ccccc2)ccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016166380 846132633 /nfs/dbraw/zinc/13/26/33/846132633.db2.gz YIMDMEAMLNVPRV-UHFFFAOYSA-N 0 0 406.394 4.189 20 5 HIBDRN CCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1 ZINC000016196906 846137289 /nfs/dbraw/zinc/13/72/89/846137289.db2.gz LCVUONGJLHUXJY-UHFFFAOYSA-N 0 0 416.455 4.095 20 5 HIBDRN CCc1cc2c(COC(=O)c3cc(SC)ccc3[N+](=O)[O-])cc(=O)oc2cc1O ZINC000016196744 846137503 /nfs/dbraw/zinc/13/75/03/846137503.db2.gz MQGZYGBBISUXSW-UHFFFAOYSA-N 0 0 415.423 4.048 20 5 HIBDRN CSc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000016262329 846143991 /nfs/dbraw/zinc/14/39/91/846143991.db2.gz DZHQBIXCYHOBNH-QGZVFWFLSA-N 0 0 416.890 4.223 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000436336538 861645019 /nfs/dbraw/zinc/64/50/19/861645019.db2.gz AKCFBTMBVRSHGU-FQEVSTJZSA-N 0 0 420.415 4.173 20 5 HIBDRN COc1ccccc1-c1nc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000016564946 846185855 /nfs/dbraw/zinc/18/58/55/846185855.db2.gz BBHKTAMEMUJWBB-UHFFFAOYSA-N 0 0 410.499 4.049 20 5 HIBDRN COc1cccc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 ZINC000016600530 846189786 /nfs/dbraw/zinc/18/97/86/846189786.db2.gz ULUWFHLJNPVBCG-UHFFFAOYSA-N 0 0 415.496 4.450 20 5 HIBDRN COc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 ZINC000016635679 846192342 /nfs/dbraw/zinc/19/23/42/846192342.db2.gz RSMICHYKFKIAJN-UHFFFAOYSA-N 0 0 413.352 4.072 20 5 HIBDRN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2N)c2ccccc2)c1 ZINC000016814216 846213039 /nfs/dbraw/zinc/21/30/39/846213039.db2.gz SFNHTLSGRPYZBH-OAQYLSRUSA-N 0 0 419.437 4.331 20 5 HIBDRN CCOc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000017048755 846228861 /nfs/dbraw/zinc/22/88/61/846228861.db2.gz DXXLPHRGVLTOBC-ZIAGYGMSSA-N 0 0 418.471 4.045 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1sc2cccc(F)c2c1C ZINC000017150449 846233928 /nfs/dbraw/zinc/23/39/28/846233928.db2.gz VUIMMLVXCSEBQE-UHFFFAOYSA-N 0 0 418.402 4.061 20 5 HIBDRN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017270028 846238463 /nfs/dbraw/zinc/23/84/63/846238463.db2.gz ZIALUZBNSLCOCW-LLVKDONJSA-N 0 0 415.500 4.369 20 5 HIBDRN O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000017269947 846238721 /nfs/dbraw/zinc/23/87/21/846238721.db2.gz OKCQOSMECMZUIB-UHFFFAOYSA-N 0 0 419.463 4.120 20 5 HIBDRN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000017279859 846240901 /nfs/dbraw/zinc/24/09/01/846240901.db2.gz CSWHBIHLCWDEQJ-SECBINFHSA-N 0 0 407.883 4.171 20 5 HIBDRN O=C(CSc1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000017308185 846243284 /nfs/dbraw/zinc/24/32/84/846243284.db2.gz SMGOBPXEGDXURX-UHFFFAOYSA-N 0 0 403.204 4.366 20 5 HIBDRN CCOc1ccc(C(=O)N2C[C@H](C)Oc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000436344175 861656046 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421.405 4.380 20 5 HIBDRN COc1ccc2cc(/C=C/C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000018019609 846285953 /nfs/dbraw/zinc/28/59/53/846285953.db2.gz FABBIPZROPLWAS-HETKQVNLSA-N 0 0 420.421 4.340 20 5 HIBDRN CCOc1ccc2nc(NC(=O)c3cc(OCC)c(OC)cc3[N+](=O)[O-])sc2c1 ZINC000018086330 846294064 /nfs/dbraw/zinc/29/40/64/846294064.db2.gz SPZJILBDAYPOMN-UHFFFAOYSA-N 0 0 417.443 4.263 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000018110511 846296986 /nfs/dbraw/zinc/29/69/86/846296986.db2.gz WSBNYRBIZZYLFN-UHFFFAOYSA-N 0 0 412.449 4.306 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000018213852 846309800 /nfs/dbraw/zinc/30/98/00/846309800.db2.gz JPMWRIBIULQWOY-UHFFFAOYSA-N 0 0 422.460 4.400 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)OCC(=O)Nc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000018262611 846317739 /nfs/dbraw/zinc/31/77/39/846317739.db2.gz CWZMWVSNHCMEMR-UHFFFAOYSA-N 0 0 418.471 4.234 20 5 HIBDRN Nc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc2sc3c(c21)CCCC3 ZINC000018265658 846318803 /nfs/dbraw/zinc/31/88/03/846318803.db2.gz WWCGHKUDHBFZFM-UHFFFAOYSA-N 0 0 418.862 4.071 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 ZINC000019159545 846354449 /nfs/dbraw/zinc/35/44/49/846354449.db2.gz RAHNRISVJDNIIP-UHFFFAOYSA-N 0 0 400.822 4.312 20 5 HIBDRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000019161511 846354927 /nfs/dbraw/zinc/35/49/27/846354927.db2.gz VBHMPDYKBUPNJD-HZPDHXFCSA-N 0 0 411.458 4.015 20 5 HIBDRN O=C(COC(=O)c1csc(-c2cccs2)n1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000019258482 846360908 /nfs/dbraw/zinc/36/09/08/846360908.db2.gz FJGIFLCKHKFZDZ-UHFFFAOYSA-N 0 0 423.859 4.229 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000019284549 846361094 /nfs/dbraw/zinc/36/10/94/846361094.db2.gz ATQKWCVECNFPSU-UHFFFAOYSA-N 0 0 422.393 4.191 20 5 HIBDRN CC[C@@H](C)N(Cc1ccccc1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000019310306 846362198 /nfs/dbraw/zinc/36/21/98/846362198.db2.gz NCAAZEUGSCNNFY-MRXNPFEDSA-N 0 0 411.458 4.110 20 5 HIBDRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000020404468 846383268 /nfs/dbraw/zinc/38/32/68/846383268.db2.gz IJOFOMZCOIUDPX-INIZCTEOSA-N 0 0 408.241 4.145 20 5 HIBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000020823548 846391120 /nfs/dbraw/zinc/39/11/20/846391120.db2.gz YLNXOPSZDCKTEJ-OAQYLSRUSA-N 0 0 424.840 4.311 20 5 HIBDRN COc1ccc(NC(=O)COc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 ZINC000020892596 846393490 /nfs/dbraw/zinc/39/34/90/846393490.db2.gz WRXDRINNGLKXLX-UHFFFAOYSA-N 0 0 415.627 4.037 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1C ZINC000436351147 861672268 /nfs/dbraw/zinc/67/22/68/861672268.db2.gz XYAZCNSIMGSOKQ-UHFFFAOYSA-N 0 0 404.397 4.168 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3ccc(F)cc3s2)c([N+](=O)[O-])c1 ZINC000020989263 846398704 /nfs/dbraw/zinc/39/87/04/846398704.db2.gz 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ZINC000022161720 846538759 /nfs/dbraw/zinc/53/87/59/846538759.db2.gz JSDAWZOQJHQSGI-NEPJUHHUSA-N 0 0 422.890 4.393 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1C ZINC000022183756 846541841 /nfs/dbraw/zinc/54/18/41/846541841.db2.gz KZAWLUICAGFSLS-GFCCVEGCSA-N 0 0 421.247 4.158 20 5 HIBDRN Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C ZINC000022183760 846541879 /nfs/dbraw/zinc/54/18/79/846541879.db2.gz BXWFVJHKDHISQR-GFCCVEGCSA-N 0 0 421.247 4.158 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000022469377 846575419 /nfs/dbraw/zinc/57/54/19/846575419.db2.gz PRPIPRSJZDBYPD-NEPJUHHUSA-N 0 0 416.817 4.417 20 5 HIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000022669618 846600889 /nfs/dbraw/zinc/60/08/89/846600889.db2.gz ZPWBJYDGDPVBBM-STQMWFEESA-N 0 0 402.834 4.161 20 5 HIBDRN Cc1cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000022736568 846612760 /nfs/dbraw/zinc/61/27/60/846612760.db2.gz PKRCIZHDKBCRGN-JKSUJKDBSA-N 0 0 406.438 4.479 20 5 HIBDRN O=[N+]([O-])c1cccc(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)c1 ZINC000022882858 846631984 /nfs/dbraw/zinc/63/19/84/846631984.db2.gz PVGCRPMBRJGIFX-UHFFFAOYSA-N 0 0 409.515 4.123 20 5 HIBDRN C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000023214171 846671420 /nfs/dbraw/zinc/67/14/20/846671420.db2.gz VEVGIHNRWGMIPP-RISCZKNCSA-N 0 0 415.496 4.325 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)COc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000023291907 846682224 /nfs/dbraw/zinc/68/22/24/846682224.db2.gz RBROHBUPWOEVMN-OAHLLOKOSA-N 0 0 414.458 4.150 20 5 HIBDRN Cc1cc(C(=O)COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(C)[nH]1 ZINC000023453239 846703949 /nfs/dbraw/zinc/70/39/49/846703949.db2.gz OILNFRJOSXYSQN-UHFFFAOYSA-N 0 0 407.426 4.192 20 5 HIBDRN CCOc1cc(C(=O)N(C)Cc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC ZINC000023491171 846708453 /nfs/dbraw/zinc/70/84/53/846708453.db2.gz XHPJXYOPGFJNOV-UHFFFAOYSA-N 0 0 423.263 4.037 20 5 HIBDRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000023504218 846711886 /nfs/dbraw/zinc/71/18/86/846711886.db2.gz IAHHBCOENCOFAL-GOSISDBHSA-N 0 0 404.850 4.323 20 5 HIBDRN O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2o1 ZINC000023606410 846728334 /nfs/dbraw/zinc/72/83/34/846728334.db2.gz DYZRECTUFPNGPZ-UHFFFAOYSA-N 0 0 405.322 4.464 20 5 HIBDRN Cc1nc2ccccc2c2c(NC(=O)CCNC(=O)c3ccco3)c3ccccc3n21 ZINC000023656325 846737501 /nfs/dbraw/zinc/73/75/01/846737501.db2.gz FSRDQZWFOFQIKW-UHFFFAOYSA-N 0 0 412.449 4.301 20 5 HIBDRN C[C@H](Cc1nnc(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1)c1ccccc1 ZINC000023964929 846763981 /nfs/dbraw/zinc/76/39/81/846763981.db2.gz AUZPVFIUSMLMSP-CQSZACIVSA-N 0 0 424.482 4.005 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)Cc2coc3cc4c(cc23)CCC4)cccc1[N+](=O)[O-] ZINC000023978232 846766667 /nfs/dbraw/zinc/76/66/67/846766667.db2.gz NYWZOWAPKHDEDS-AWEZNQCLSA-N 0 0 422.437 4.251 20 5 HIBDRN Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1C ZINC000023999951 846770419 /nfs/dbraw/zinc/77/04/19/846770419.db2.gz FOVUOAANOLBGCO-CQSZACIVSA-N 0 0 411.487 4.126 20 5 HIBDRN CCNc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1[N+](=O)[O-] ZINC000024015688 846773653 /nfs/dbraw/zinc/77/36/53/846773653.db2.gz VCHNDQANEUBFMH-UHFFFAOYSA-N 0 0 412.427 4.131 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Sc2nncn2-c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000024023306 846775723 /nfs/dbraw/zinc/77/57/23/846775723.db2.gz IQESBCPSNKSMNI-GFCCVEGCSA-N 0 0 417.878 4.257 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000024049171 846782708 /nfs/dbraw/zinc/78/27/08/846782708.db2.gz MNZUEMQLPWMLKK-OAHLLOKOSA-N 0 0 413.499 4.340 20 5 HIBDRN COc1cc([C@@H]2NC(=O)c3ccccc3N2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000024098741 846788539 /nfs/dbraw/zinc/78/85/39/846788539.db2.gz PASJFMLGPYKPSU-JOCHJYFZSA-N 0 0 419.437 4.061 20 5 HIBDRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000024124503 846793069 /nfs/dbraw/zinc/79/30/69/846793069.db2.gz WGLSCROVAVHUJS-LBPRGKRZSA-N 0 0 408.863 4.219 20 5 HIBDRN CC(C)[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000024179032 846797669 /nfs/dbraw/zinc/79/76/69/846797669.db2.gz MTEWVXOCGGZSBS-QFIPXVFZSA-N 0 0 413.474 4.072 20 5 HIBDRN Cc1c(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000024248667 846806751 /nfs/dbraw/zinc/80/67/51/846806751.db2.gz FMGGKXVOJXLUHD-AWEZNQCLSA-N 0 0 407.835 4.432 20 5 HIBDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000024304944 846811717 /nfs/dbraw/zinc/81/17/17/846811717.db2.gz WYBXBIXEFUXJOT-UHFFFAOYSA-N 0 0 417.878 4.177 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(COC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000024347551 846815697 /nfs/dbraw/zinc/81/56/97/846815697.db2.gz FYYAGAUVUHZKJE-HNNXBMFYSA-N 0 0 400.431 4.012 20 5 HIBDRN O=C(Nc1ccc(F)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000024366175 846818378 /nfs/dbraw/zinc/81/83/78/846818378.db2.gz XJYBPPMZRYQEHM-UHFFFAOYSA-N 0 0 412.343 4.107 20 5 HIBDRN Cc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 ZINC000024369874 846819402 /nfs/dbraw/zinc/81/94/02/846819402.db2.gz KXHGJVKZCHSOFO-UHFFFAOYSA-N 0 0 403.438 4.453 20 5 HIBDRN O=C(OCc1coc(-c2ccc(Cl)cc2)n1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000024420410 846822114 /nfs/dbraw/zinc/82/21/14/846822114.db2.gz JAMCNHOOSNEVOL-UHFFFAOYSA-N 0 0 416.773 4.031 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1coc(-c2cccs2)n1 ZINC000024497099 846832255 /nfs/dbraw/zinc/83/22/55/846832255.db2.gz RNBFOSRLDKXZBY-UHFFFAOYSA-N 0 0 415.474 4.188 20 5 HIBDRN COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cn1 ZINC000024605000 846843767 /nfs/dbraw/zinc/84/37/67/846843767.db2.gz ILQAECHGQGVJDD-UHFFFAOYSA-N 0 0 423.450 4.204 20 5 HIBDRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c12 ZINC000024750066 846863306 /nfs/dbraw/zinc/86/33/06/846863306.db2.gz WUHLYNMBEKDIGQ-UHFFFAOYSA-N 0 0 407.455 4.474 20 5 HIBDRN CC(=O)Nc1ccc2nc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000025039607 846910702 /nfs/dbraw/zinc/91/07/02/846910702.db2.gz CGFGMJUQLOMBKT-SNVBAGLBSA-N 0 0 416.484 4.282 20 5 HIBDRN O=[N+]([O-])c1ccccc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000025114121 846928821 /nfs/dbraw/zinc/92/88/21/846928821.db2.gz NHYQIUSJSJWKOH-CQSZACIVSA-N 0 0 402.501 4.386 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000025177348 846936552 /nfs/dbraw/zinc/93/65/52/846936552.db2.gz GQNFGXCQXJILIS-LBPRGKRZSA-N 0 0 409.305 4.497 20 5 HIBDRN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1OC(F)(F)F ZINC000025241684 846946748 /nfs/dbraw/zinc/94/67/48/846946748.db2.gz QLUWAPIQHFKBNI-UHFFFAOYSA-N 0 0 408.336 4.175 20 5 HIBDRN Cc1cccc(-n2ccnc2SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1C ZINC000025401191 846974186 /nfs/dbraw/zinc/97/41/86/846974186.db2.gz DZOPPWPXEWBBRV-UHFFFAOYSA-N 0 0 408.483 4.079 20 5 HIBDRN O=C(CN1CCC[C@@H]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000025439072 846977823 /nfs/dbraw/zinc/97/78/23/846977823.db2.gz MTQPBCAUSBPDEA-OAHLLOKOSA-N 0 0 418.291 4.003 20 5 HIBDRN Cc1cc(C(=O)OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)ccc1[N+](=O)[O-] ZINC000025460380 846981722 /nfs/dbraw/zinc/98/17/22/846981722.db2.gz PWGZDTGNVWDVRT-UHFFFAOYSA-N 0 0 407.304 4.329 20 5 HIBDRN Cc1sc2nc(CN3CCCC3)nc(N(C)Cc3ccccc3[N+](=O)[O-])c2c1C ZINC000025495732 846987696 /nfs/dbraw/zinc/98/76/96/846987696.db2.gz JSPRNQNBIASFDK-UHFFFAOYSA-N 0 0 411.531 4.449 20 5 HIBDRN Cc1c(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cccc1[N+](=O)[O-] ZINC000025549398 846999279 /nfs/dbraw/zinc/99/92/79/846999279.db2.gz IZROSSJCKCZXHZ-UHFFFAOYSA-N 0 0 414.259 4.346 20 5 HIBDRN CN(c1ccc(Oc2ccccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1F ZINC000025621707 847008212 /nfs/dbraw/zinc/00/82/12/847008212.db2.gz XEQPEZUXBHXUMV-UHFFFAOYSA-N 0 0 402.403 4.351 20 5 HIBDRN C[C@@H](c1ccc(F)cc1F)N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436397857 861744014 /nfs/dbraw/zinc/74/40/14/861744014.db2.gz AYNIXTRSVBBPFF-NSHDSACASA-N 0 0 416.350 4.170 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000025757493 847031460 /nfs/dbraw/zinc/03/14/60/847031460.db2.gz VBZXSTMERVATJG-UHFFFAOYSA-N 0 0 415.446 4.239 20 5 HIBDRN COc1cc(C)c(CN(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000025764244 847032623 /nfs/dbraw/zinc/03/26/23/847032623.db2.gz SWOXXASAMQSGTL-CQSZACIVSA-N 0 0 404.488 4.060 20 5 HIBDRN COc1cc(C)c(CN(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC ZINC000025766103 847033509 /nfs/dbraw/zinc/03/35/09/847033509.db2.gz KDFOWCZODFMOSC-UHFFFAOYSA-N 0 0 400.475 4.490 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000026052952 847078333 /nfs/dbraw/zinc/07/83/33/847078333.db2.gz BKMDPUZFCSNHMF-LLVKDONJSA-N 0 0 410.373 4.095 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000026121014 847090315 /nfs/dbraw/zinc/09/03/15/847090315.db2.gz LABHXXSRYWQTAC-HXUWFJFHSA-N 0 0 410.451 4.027 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000026120399 847090503 /nfs/dbraw/zinc/09/05/03/847090503.db2.gz VIUYUDHRXHAPAU-UHFFFAOYSA-N 0 0 411.241 4.025 20 5 HIBDRN O=C(COC(=O)c1cc2ccc(F)cc2s1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000026221924 847106257 /nfs/dbraw/zinc/10/62/57/847106257.db2.gz AEFZMZJJLYSMGG-UHFFFAOYSA-N 0 0 408.794 4.398 20 5 HIBDRN COc1ccc(NC(=O)CCSc2nc3cc(Cl)ccc3[nH]2)c([N+](=O)[O-])c1 ZINC000026251227 847112287 /nfs/dbraw/zinc/11/22/87/847112287.db2.gz OZQDRNVAPYICOK-UHFFFAOYSA-N 0 0 406.851 4.254 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nc2ccccc2n1C(F)F ZINC000026417278 847141989 /nfs/dbraw/zinc/14/19/89/847141989.db2.gz PBWPFDFIJIUKBT-UHFFFAOYSA-N 0 0 422.413 4.469 20 5 HIBDRN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026424224 847142251 /nfs/dbraw/zinc/14/22/51/847142251.db2.gz WZLUZCYSQXYTRI-UHFFFAOYSA-N 0 0 419.604 4.301 20 5 HIBDRN O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000026470359 847154528 /nfs/dbraw/zinc/15/45/28/847154528.db2.gz VMYNUKLJVUESNM-UHFFFAOYSA-N 0 0 411.389 4.346 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3csc(-c4ccc(Cl)cc4)n3)CC2)cn1 ZINC000026597351 847174467 /nfs/dbraw/zinc/17/44/67/847174467.db2.gz ZFFVZEATSPSEMY-UHFFFAOYSA-N 0 0 415.906 4.089 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3c(cccc3F)s2)c([N+](=O)[O-])c1 ZINC000026589578 847174795 /nfs/dbraw/zinc/17/47/95/847174795.db2.gz JQPMAQLIPJUPPU-JTQLQIEISA-N 0 0 418.402 4.141 20 5 HIBDRN Cc1cc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)on1 ZINC000026684228 847186107 /nfs/dbraw/zinc/18/61/07/847186107.db2.gz RKEIORPUCOHLEO-KRWDZBQOSA-N 0 0 415.789 4.081 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@H](Nc2ccccc2)C1 ZINC000436411233 861762737 /nfs/dbraw/zinc/76/27/37/861762737.db2.gz LNHCPASWPNWMAD-KRWDZBQOSA-N 0 0 419.431 4.286 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000026886941 847215294 /nfs/dbraw/zinc/21/52/94/847215294.db2.gz DIBFYBYSVWGVDS-STQMWFEESA-N 0 0 402.472 4.436 20 5 HIBDRN Cn1ccnc1[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1F ZINC000026885401 847215558 /nfs/dbraw/zinc/21/55/58/847215558.db2.gz QXDALMKMTAHKEM-LJQANCHMSA-N 0 0 410.449 4.284 20 5 HIBDRN O=C(Nc1cccc(OCC(F)(F)F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000027072489 847242913 /nfs/dbraw/zinc/24/29/13/847242913.db2.gz FFGMQRJGKIQBGV-UHFFFAOYSA-N 0 0 423.391 4.391 20 5 HIBDRN CC[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000027153935 847257343 /nfs/dbraw/zinc/25/73/43/847257343.db2.gz LKUCIJFYPIGGIW-MRXNPFEDSA-N 0 0 409.486 4.154 20 5 HIBDRN Cc1nn(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(=S)n1Cc1ccccc1 ZINC000027533123 847316548 /nfs/dbraw/zinc/31/65/48/847316548.db2.gz DFFGPSLYQZWPOU-UHFFFAOYSA-N 0 0 417.922 4.422 20 5 HIBDRN O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027802422 847352742 /nfs/dbraw/zinc/35/27/42/847352742.db2.gz PCNOKGMUNICHBQ-UHFFFAOYSA-N 0 0 404.422 4.276 20 5 HIBDRN O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1c(Cl)cc(Cl)cc1Cl ZINC000028004082 847373695 /nfs/dbraw/zinc/37/36/95/847373695.db2.gz HSHWXHUVAXWFKN-UHFFFAOYSA-N 0 0 416.604 4.102 20 5 HIBDRN CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000028301140 847403916 /nfs/dbraw/zinc/40/39/16/847403916.db2.gz OJLRSGWBCGRZDR-UHFFFAOYSA-N 0 0 415.254 4.419 20 5 HIBDRN C[C@H](Cc1cccs1)NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000028412569 847418172 /nfs/dbraw/zinc/41/81/72/847418172.db2.gz CIBROADCQYQGAK-LLVKDONJSA-N 0 0 416.425 4.017 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nnc(C2CC2)s1 ZINC000028604849 847435087 /nfs/dbraw/zinc/43/50/87/847435087.db2.gz LILKUECTIXYQIM-UHFFFAOYSA-N 0 0 404.395 4.073 20 5 HIBDRN Cc1cc(C)c(OCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000028606683 847435107 /nfs/dbraw/zinc/43/51/07/847435107.db2.gz ZLEPFUBFLARDKA-AWEZNQCLSA-N 0 0 420.849 4.123 20 5 HIBDRN COc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2C)cc1 ZINC000028605042 847435209 /nfs/dbraw/zinc/43/52/09/847435209.db2.gz KTCRFSFUYZAYOV-UHFFFAOYSA-N 0 0 414.399 4.196 20 5 HIBDRN COc1cc(OC)cc([C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2nccn2C)c1 ZINC000028620330 847438312 /nfs/dbraw/zinc/43/83/12/847438312.db2.gz FCYZJRJIEXIFMK-OAQYLSRUSA-N 0 0 419.441 4.095 20 5 HIBDRN O=[N+]([O-])c1cc(CSc2n[nH]c(-c3ccc(Cl)cc3)n2)c2c(c1)COCO2 ZINC000028807311 847463602 /nfs/dbraw/zinc/46/36/02/847463602.db2.gz KDNZSUYAUYSZNY-UHFFFAOYSA-N 0 0 404.835 4.192 20 5 HIBDRN CCOc1ccccc1Nc1nnc(Sc2nc3sccn3c2[N+](=O)[O-])s1 ZINC000029163682 847518041 /nfs/dbraw/zinc/51/80/41/847518041.db2.gz RUHIIKVSXSZIDY-UHFFFAOYSA-N 0 0 420.501 4.449 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(C3CCCCC3)s2)cc1OC ZINC000029185776 847522162 /nfs/dbraw/zinc/52/21/62/847522162.db2.gz COPRNFSGVPZFHT-UHFFFAOYSA-N 0 0 406.464 4.154 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000029249015 847530964 /nfs/dbraw/zinc/53/09/64/847530964.db2.gz LZPXQXIZMRRSOS-UHFFFAOYSA-N 0 0 408.385 4.364 20 5 HIBDRN CN(C(=O)COC(=O)C1c2ccccc2Oc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000029273674 847536710 /nfs/dbraw/zinc/53/67/10/847536710.db2.gz VSHBMTLHSKWMDX-UHFFFAOYSA-N 0 0 418.405 4.039 20 5 HIBDRN CC(C)[C@@H](NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000029277392 847537502 /nfs/dbraw/zinc/53/75/02/847537502.db2.gz BRBYCMAJJYKNGO-GOSISDBHSA-N 0 0 408.813 4.058 20 5 HIBDRN O=C(NCCc1cccc2cccnc21)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000029452889 847565870 /nfs/dbraw/zinc/56/58/70/847565870.db2.gz WMPKHXZGIAZXHX-UHFFFAOYSA-N 0 0 404.470 4.106 20 5 HIBDRN Cc1cccc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1[N+](=O)[O-] ZINC000029614160 847588816 /nfs/dbraw/zinc/58/88/16/847588816.db2.gz RAAGXNXNUOSKLK-UHFFFAOYSA-N 0 0 409.421 4.280 20 5 HIBDRN CC1CCN(c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)CC1 ZINC000029749220 847613607 /nfs/dbraw/zinc/61/36/07/847613607.db2.gz UBRFBZCDFXBGMF-UHFFFAOYSA-N 0 0 413.503 4.356 20 5 HIBDRN COc1cccc([C@H](CNc2c([N+](=O)[O-])ncn2C)c2c[nH]c3ccccc32)c1OC ZINC000029852643 847634875 /nfs/dbraw/zinc/63/48/75/847634875.db2.gz ILSCRTNKCYSGPY-KRWDZBQOSA-N 0 0 421.457 4.071 20 5 HIBDRN CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc2ccc(Cl)cc2s1 ZINC000436468182 861816178 /nfs/dbraw/zinc/81/61/78/861816178.db2.gz JFAQFKCKBWLEJA-UHFFFAOYSA-N 0 0 413.846 4.320 20 5 HIBDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)c12 ZINC000029888569 847642103 /nfs/dbraw/zinc/64/21/03/847642103.db2.gz OPURFMFMQNLDJK-UHFFFAOYSA-N 0 0 413.437 4.055 20 5 HIBDRN Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000030008024 847668712 /nfs/dbraw/zinc/66/87/12/847668712.db2.gz IRLOCHVQKKHMTL-LBPRGKRZSA-N 0 0 403.485 4.066 20 5 HIBDRN COc1ccc(-n2ccnc2SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000030028646 847673800 /nfs/dbraw/zinc/67/38/00/847673800.db2.gz SPAOUBVRKDZGBZ-UHFFFAOYSA-N 0 0 409.427 4.131 20 5 HIBDRN CCOCc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000030122694 847679783 /nfs/dbraw/zinc/67/97/83/847679783.db2.gz FSAOGJQMLIGLMR-UHFFFAOYSA-N 0 0 400.478 4.008 20 5 HIBDRN CC1(C)CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 ZINC000030195437 847687869 /nfs/dbraw/zinc/68/78/69/847687869.db2.gz NSBMOJFQJNECMN-GOSISDBHSA-N 0 0 403.866 4.039 20 5 HIBDRN CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000030426674 847714844 /nfs/dbraw/zinc/71/48/44/847714844.db2.gz PSQQTXURJXZGIU-CQSZACIVSA-N 0 0 400.909 4.316 20 5 HIBDRN Cc1cccc(Cn2nccc2NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000030527413 847727969 /nfs/dbraw/zinc/72/79/69/847727969.db2.gz RVDWVKZHQGJRDP-UHFFFAOYSA-N 0 0 419.485 4.003 20 5 HIBDRN COc1cc(CNc2nc3ccccn3c2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000030772857 847773407 /nfs/dbraw/zinc/77/34/07/847773407.db2.gz JOHTXOQNJGNNSN-UHFFFAOYSA-N 0 0 404.426 4.442 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000031078934 847818837 /nfs/dbraw/zinc/81/88/37/847818837.db2.gz CDLZRMQGYDLBCF-OAHLLOKOSA-N 0 0 402.878 4.497 20 5 HIBDRN Cc1sc(NC(=O)[C@H](C)NC(=O)C2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000436534682 861839379 /nfs/dbraw/zinc/83/93/79/861839379.db2.gz LSELZCPRSFJBIM-LBPRGKRZSA-N 0 0 416.503 4.050 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCSc1ccccc1 ZINC000031355368 847868451 /nfs/dbraw/zinc/86/84/51/847868451.db2.gz USLHCYXUDICVHM-UHFFFAOYSA-N 0 0 402.519 4.453 20 5 HIBDRN O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000031498357 847896274 /nfs/dbraw/zinc/89/62/74/847896274.db2.gz DNRRGDDBCXYITF-KRWDZBQOSA-N 0 0 401.463 4.301 20 5 HIBDRN CSc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1 ZINC000031663668 847925629 /nfs/dbraw/zinc/92/56/29/847925629.db2.gz LLEIPBGUBVVWQA-UHFFFAOYSA-N 0 0 414.224 4.174 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(I)c1 ZINC000031702050 847933612 /nfs/dbraw/zinc/93/36/12/847933612.db2.gz NLMWOHOYAZNUEY-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN COc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC(F)F ZINC000031744340 847942622 /nfs/dbraw/zinc/94/26/22/847942622.db2.gz BQPIXTGVGRXBHU-UHFFFAOYSA-N 0 0 408.382 4.350 20 5 HIBDRN COc1ccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000031744425 847942631 /nfs/dbraw/zinc/94/26/31/847942631.db2.gz DUPBRCJRZOYPQY-LLVKDONJSA-N 0 0 412.414 4.002 20 5 HIBDRN CCCn1c(=O)c2ccccc2nc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000031841245 847957847 /nfs/dbraw/zinc/95/78/47/847957847.db2.gz PXKFBKAMSIVZHR-UHFFFAOYSA-N 0 0 423.454 4.057 20 5 HIBDRN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032156028 847989563 /nfs/dbraw/zinc/98/95/63/847989563.db2.gz FYIKZQHHFGEZNI-OAQYLSRUSA-N 0 0 412.449 4.494 20 5 HIBDRN Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000032306024 848000940 /nfs/dbraw/zinc/00/09/40/848000940.db2.gz VVFONIPIXQNLSD-UHFFFAOYSA-N 0 0 423.494 4.153 20 5 HIBDRN CCOc1ccc(C(=O)NC(C)(C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000032398612 848018972 /nfs/dbraw/zinc/01/89/72/848018972.db2.gz DYFCERFDHDPJIF-UHFFFAOYSA-N 0 0 407.264 4.421 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCC(C)(C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000032472714 848035704 /nfs/dbraw/zinc/03/57/04/848035704.db2.gz CUSXUMJGUXPKSL-UHFFFAOYSA-N 0 0 406.486 4.164 20 5 HIBDRN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032482081 848036908 /nfs/dbraw/zinc/03/69/08/848036908.db2.gz XIZORWCPMGCGHX-UHFFFAOYSA-N 0 0 404.348 4.072 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000032517280 848042875 /nfs/dbraw/zinc/04/28/75/848042875.db2.gz MQPSNPGZMCQOEH-LZGZYFLISA-N 0 0 413.518 4.199 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000032582225 848050225 /nfs/dbraw/zinc/05/02/25/848050225.db2.gz JBUUSDPNWXNECT-UHFFFAOYSA-N 0 0 413.611 4.034 20 5 HIBDRN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1Cl ZINC000032801220 848077599 /nfs/dbraw/zinc/07/75/99/848077599.db2.gz DLUGXNWICFNGFT-JTQLQIEISA-N 0 0 412.671 4.300 20 5 HIBDRN Cc1c(-c2nc(-c3ccc(O)c4ccccc34)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000436614481 861871051 /nfs/dbraw/zinc/87/10/51/861871051.db2.gz YDHNHUWSCXAUMH-UHFFFAOYSA-N 0 0 414.381 4.060 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCOc3ccccc32)cc1 ZINC000033168121 848117724 /nfs/dbraw/zinc/11/77/24/848117724.db2.gz NTNNCYVRBIKXID-UHFFFAOYSA-N 0 0 406.394 4.435 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000033173769 848117808 /nfs/dbraw/zinc/11/78/08/848117808.db2.gz GQYUNMFEEZDRRK-NSHDSACASA-N 0 0 407.879 4.069 20 5 HIBDRN O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000033179713 848119897 /nfs/dbraw/zinc/11/98/97/848119897.db2.gz PTCSVRQXHIUSAB-UHFFFAOYSA-N 0 0 419.441 4.081 20 5 HIBDRN CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1cccs1 ZINC000033736640 848138895 /nfs/dbraw/zinc/13/88/95/848138895.db2.gz NNQGUPIZLXTGCG-NSHDSACASA-N 0 0 403.489 4.054 20 5 HIBDRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000041400530 848212890 /nfs/dbraw/zinc/21/28/90/848212890.db2.gz JKMWMRCQLJDPBU-GOSISDBHSA-N 0 0 408.285 4.469 20 5 HIBDRN Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000041818792 848254449 /nfs/dbraw/zinc/25/44/49/848254449.db2.gz BUVAPZMRSOJANN-UHFFFAOYSA-N 0 0 410.817 4.456 20 5 HIBDRN CC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000041898048 848262825 /nfs/dbraw/zinc/26/28/25/848262825.db2.gz VLUUCBGWISHBSW-ZDUSSCGKSA-N 0 0 410.373 4.095 20 5 HIBDRN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)C1 ZINC000041986309 848271296 /nfs/dbraw/zinc/27/12/96/848271296.db2.gz DAUBWZRDSYGKRS-MRXNPFEDSA-N 0 0 415.534 4.003 20 5 HIBDRN COc1ccc(CSc2nnc(N3CCC(C)CC3)n2C2CC2)cc1[N+](=O)[O-] ZINC000042155042 848294765 /nfs/dbraw/zinc/29/47/65/848294765.db2.gz HHOAMAZHOYARRE-UHFFFAOYSA-N 0 0 403.508 4.058 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000042193070 848299213 /nfs/dbraw/zinc/29/92/13/848299213.db2.gz IJJJAFKIQXDCMR-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c3cccnc23)cc1OC ZINC000042664333 848341086 /nfs/dbraw/zinc/34/10/86/848341086.db2.gz JQWRCRZNKMHNPR-UHFFFAOYSA-N 0 0 401.806 4.456 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCc1ccsc1 ZINC000042936221 848367599 /nfs/dbraw/zinc/36/75/99/848367599.db2.gz MNGFUOPNSJTFMI-UHFFFAOYSA-N 0 0 418.478 4.368 20 5 HIBDRN CC(=O)Nc1nc2ccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000043244134 848398195 /nfs/dbraw/zinc/39/81/95/848398195.db2.gz DTNLBGPOJATRPK-SNVBAGLBSA-N 0 0 416.484 4.282 20 5 HIBDRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)n2)cc1 ZINC000043732141 848456716 /nfs/dbraw/zinc/45/67/16/848456716.db2.gz GWAZFVLLCAMJGF-UHFFFAOYSA-N 0 0 402.457 4.299 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OCC ZINC000043838677 848475802 /nfs/dbraw/zinc/47/58/02/848475802.db2.gz XGDJFAHEYDVUQC-LBPRGKRZSA-N 0 0 413.434 4.151 20 5 HIBDRN Cn1c2ccc(Cl)cc2nc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000044049361 848507487 /nfs/dbraw/zinc/50/74/87/848507487.db2.gz IPTLPHFHKVRSKS-UHFFFAOYSA-N 0 0 401.835 4.477 20 5 HIBDRN COc1ccc(F)cc1-c1csc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000044542734 848568256 /nfs/dbraw/zinc/56/82/56/848568256.db2.gz QCCKWGNLNGRIIL-UHFFFAOYSA-N 0 0 407.810 4.772 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000044619977 848579764 /nfs/dbraw/zinc/57/97/64/848579764.db2.gz XJNMRRBFKLODNR-NSHDSACASA-N 0 0 410.373 4.095 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000044629350 848583189 /nfs/dbraw/zinc/58/31/89/848583189.db2.gz VMFLQKZSPKEUDZ-GFCCVEGCSA-N 0 0 414.487 4.092 20 5 HIBDRN C[C@H](c1ccccc1Cl)N(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000045398332 848674157 /nfs/dbraw/zinc/67/41/57/848674157.db2.gz YQUJYCUVEVCJQJ-CQSZACIVSA-N 0 0 415.877 4.120 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000045713532 848716327 /nfs/dbraw/zinc/71/63/27/848716327.db2.gz MBOQZIHVDXSBQK-UHFFFAOYSA-N 0 0 400.378 4.494 20 5 HIBDRN O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000045876262 848745409 /nfs/dbraw/zinc/74/54/09/848745409.db2.gz JEHQZVDFEICSCT-UHFFFAOYSA-N 0 0 403.870 4.345 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000045938239 848754889 /nfs/dbraw/zinc/75/48/89/848754889.db2.gz UMERXPXYYWKZIT-UHFFFAOYSA-N 0 0 409.364 4.011 20 5 HIBDRN Cc1ccccc1-n1ncc(C(=O)NCc2ccccc2[N+](=O)[O-])c1C(F)(F)F ZINC000046148185 848789312 /nfs/dbraw/zinc/78/93/12/848789312.db2.gz BNBJIPAYYSTOAJ-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000046183613 848797042 /nfs/dbraw/zinc/79/70/42/848797042.db2.gz HHWCHKLZEQKAEI-CQSZACIVSA-N 0 0 404.488 4.113 20 5 HIBDRN COc1cc(C(=O)N2CCCc3cc(F)c(F)cc32)c([N+](=O)[O-])cc1OC(F)F ZINC000046222865 848806383 /nfs/dbraw/zinc/80/63/83/848806383.db2.gz SSRMYRGZHXUCPL-UHFFFAOYSA-N 0 0 414.311 4.076 20 5 HIBDRN COc1cc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)c([N+](=O)[O-])cc1OC ZINC000046271024 848815586 /nfs/dbraw/zinc/81/55/86/848815586.db2.gz PQDYVUDTYTVNGS-UHFFFAOYSA-N 0 0 417.418 4.051 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(OCc3ccccn3)c2)c1 ZINC000046579522 848878087 /nfs/dbraw/zinc/87/80/87/848878087.db2.gz BVYYMHKWPUHGFJ-UHFFFAOYSA-N 0 0 407.426 4.285 20 5 HIBDRN CCN(CC)C(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000046645243 848896557 /nfs/dbraw/zinc/89/65/57/848896557.db2.gz AAKYFNUYZNGIFB-UHFFFAOYSA-N 0 0 419.865 4.056 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000046660690 848901193 /nfs/dbraw/zinc/90/11/93/848901193.db2.gz KICJISLQHYUYPF-UHFFFAOYSA-N 0 0 418.453 4.312 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000046670534 848903522 /nfs/dbraw/zinc/90/35/22/848903522.db2.gz NUWOPXCEDURJFM-OAHLLOKOSA-N 0 0 401.463 4.293 20 5 HIBDRN Cc1nc(C(C)C)sc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000046747257 848924181 /nfs/dbraw/zinc/92/41/81/848924181.db2.gz VQFPFZRJFILCAV-HNNXBMFYSA-N 0 0 419.503 4.296 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccn(Cc2ccccc2)n1 ZINC000046796244 848936288 /nfs/dbraw/zinc/93/62/88/848936288.db2.gz UNPZVMVGAZDJLA-UHFFFAOYSA-N 0 0 408.461 4.038 20 5 HIBDRN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000047254597 849014655 /nfs/dbraw/zinc/01/46/55/849014655.db2.gz CLYPKBPJIKNCMQ-CYBMUJFWSA-N 0 0 411.849 4.047 20 5 HIBDRN CC(C)NC(=O)Nc1ccccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000047381026 849035987 /nfs/dbraw/zinc/03/59/87/849035987.db2.gz MJLLQSAWTOHQLV-CYBMUJFWSA-N 0 0 402.476 4.244 20 5 HIBDRN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(Br)cc1 ZINC000047406622 849041424 /nfs/dbraw/zinc/04/14/24/849041424.db2.gz NALIHHFEQMWKNC-UHFFFAOYSA-N 0 0 403.236 4.039 20 5 HIBDRN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])c2)c1 ZINC000047409130 849042029 /nfs/dbraw/zinc/04/20/29/849042029.db2.gz VWVJKNXROWPWJY-UHFFFAOYSA-N 0 0 418.453 4.406 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000047515681 849061274 /nfs/dbraw/zinc/06/12/74/849061274.db2.gz ZJFHJVRVPPCZSI-CQSZACIVSA-N 0 0 414.487 4.342 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000047522409 849062427 /nfs/dbraw/zinc/06/24/27/849062427.db2.gz OHCCBYVDFACIGB-NRFANRHFSA-N 0 0 418.428 4.184 20 5 HIBDRN COc1cccc(-c2nc(CN3CCN(c4cccc([N+](=O)[O-])c4)CC3)cs2)c1 ZINC000047742859 849102971 /nfs/dbraw/zinc/10/29/71/849102971.db2.gz RKNZQOKVBJJHPR-UHFFFAOYSA-N 0 0 410.499 4.049 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(C(=O)c2ccccc2)CC1 ZINC000047865209 849128945 /nfs/dbraw/zinc/12/89/45/849128945.db2.gz IALPMMQSLVUELV-UHFFFAOYSA-N 0 0 419.384 4.323 20 5 HIBDRN Cc1ccc(SCCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 ZINC000048049803 849154291 /nfs/dbraw/zinc/15/42/91/849154291.db2.gz BQXNHMQTMKPIEW-UHFFFAOYSA-N 0 0 414.405 4.366 20 5 HIBDRN COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])cn1 ZINC000048239178 849195344 /nfs/dbraw/zinc/19/53/44/849195344.db2.gz QNYRQCKTIMGSKA-UHFFFAOYSA-N 0 0 408.414 4.421 20 5 HIBDRN O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048322467 849207204 /nfs/dbraw/zinc/20/72/04/849207204.db2.gz OXGQICXHXBKHHX-UHFFFAOYSA-N 0 0 406.373 4.333 20 5 HIBDRN CCc1ccc(-c2nc(CS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000048700342 849256250 /nfs/dbraw/zinc/25/62/50/849256250.db2.gz KYTOWAVJLZCEAJ-UHFFFAOYSA-N 0 0 402.497 4.396 20 5 HIBDRN CN(C)C(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 ZINC000049680820 849320016 /nfs/dbraw/zinc/32/00/16/849320016.db2.gz AHYYISDYVDRLHU-UHFFFAOYSA-N 0 0 419.437 4.019 20 5 HIBDRN C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C2CC2)o1 ZINC000049702415 849322103 /nfs/dbraw/zinc/32/21/03/849322103.db2.gz XWZPCUBGGBVJPX-VBKZILBWSA-N 0 0 406.442 4.302 20 5 HIBDRN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050293298 849368692 /nfs/dbraw/zinc/36/86/92/849368692.db2.gz BDLWDVKPYCGLRZ-UHFFFAOYSA-N 0 0 411.439 4.109 20 5 HIBDRN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050294829 849368736 /nfs/dbraw/zinc/36/87/36/849368736.db2.gz OJFOKKCIELALBX-UHFFFAOYSA-N 0 0 419.466 4.176 20 5 HIBDRN O=C(Nc1nc(-c2ccccc2)ns1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050331984 849372647 /nfs/dbraw/zinc/37/26/47/849372647.db2.gz DHXJJKBRZBYFTB-UHFFFAOYSA-N 0 0 409.452 4.489 20 5 HIBDRN Cc1ccc(C(=O)NC2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)s1 ZINC000050954649 849422076 /nfs/dbraw/zinc/42/20/76/849422076.db2.gz KBNLZDBWWGMTOI-UHFFFAOYSA-N 0 0 413.421 4.382 20 5 HIBDRN Cc1ccc(OC2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1C ZINC000051992009 849536093 /nfs/dbraw/zinc/53/60/93/849536093.db2.gz DKRFJQZMZRREEV-UHFFFAOYSA-N 0 0 408.458 4.305 20 5 HIBDRN CS(=O)(=O)c1ccc(N[C@@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000052246098 849564593 /nfs/dbraw/zinc/56/45/93/849564593.db2.gz LIAVKGRKAIROSV-FQEVSTJZSA-N 0 0 400.431 4.339 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])c1 ZINC000052357982 849573727 /nfs/dbraw/zinc/57/37/27/849573727.db2.gz NOUKKIOHFYDBQY-OAHLLOKOSA-N 0 0 412.490 4.330 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@@H](C)c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000052769802 849624985 /nfs/dbraw/zinc/62/49/85/849624985.db2.gz AWLABTZWVDQFEW-AWEZNQCLSA-N 0 0 413.503 4.267 20 5 HIBDRN CCOc1ccc(OCC)c(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000052774492 849626263 /nfs/dbraw/zinc/62/62/63/849626263.db2.gz VBSCKMMXUYYZAB-GFCCVEGCSA-N 0 0 407.854 4.485 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052916878 849644455 /nfs/dbraw/zinc/64/44/55/849644455.db2.gz PJVORLKPFYJDFS-MRXNPFEDSA-N 0 0 402.454 4.361 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 ZINC000052916224 849644473 /nfs/dbraw/zinc/64/44/73/849644473.db2.gz CUVXVLKJKHMTRV-CQSZACIVSA-N 0 0 419.441 4.374 20 5 HIBDRN Cn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052929961 849645853 /nfs/dbraw/zinc/64/58/53/849645853.db2.gz GLQSMMLDNUGWLD-UHFFFAOYSA-N 0 0 404.470 4.090 20 5 HIBDRN CCN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000053029488 849657645 /nfs/dbraw/zinc/65/76/45/849657645.db2.gz ZBHVBLIUQMATED-UHFFFAOYSA-N 0 0 407.455 4.272 20 5 HIBDRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000053218642 849680311 /nfs/dbraw/zinc/68/03/11/849680311.db2.gz LTCRSMRWAMSJSP-UHFFFAOYSA-N 0 0 403.797 4.323 20 5 HIBDRN Cc1noc(C)c1CN(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000053474805 849717168 /nfs/dbraw/zinc/71/71/68/849717168.db2.gz NDSPGWGYKJUXJL-AWEZNQCLSA-N 0 0 409.446 4.040 20 5 HIBDRN Cc1noc(C)c1CN(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000053474807 849717377 /nfs/dbraw/zinc/71/73/77/849717377.db2.gz NDSPGWGYKJUXJL-CQSZACIVSA-N 0 0 409.446 4.040 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC3(c4ccccc4)CCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000053473256 849717416 /nfs/dbraw/zinc/71/74/16/849717416.db2.gz NKKMUXCLKWWBCH-UHFFFAOYSA-N 0 0 404.470 4.266 20 5 HIBDRN CCCCOc1ccc([C@H](C)Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])cc1OC ZINC000053573156 849732715 /nfs/dbraw/zinc/73/27/15/849732715.db2.gz QEZXAQLYOSTFOT-AWEZNQCLSA-N 0 0 401.463 4.315 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000054030239 849800377 /nfs/dbraw/zinc/80/03/77/849800377.db2.gz DHOAJAGHPFVCED-UHFFFAOYSA-N 0 0 406.417 4.239 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000054099581 849810377 /nfs/dbraw/zinc/81/03/77/849810377.db2.gz SQXPCEDNDRJDBA-UHFFFAOYSA-N 0 0 417.469 4.181 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000054126324 849813539 /nfs/dbraw/zinc/81/35/39/849813539.db2.gz LRRXLQGVDHJRDM-UHFFFAOYSA-N 0 0 409.364 4.388 20 5 HIBDRN COCCCOc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000054169270 849819629 /nfs/dbraw/zinc/81/96/29/849819629.db2.gz ZEZQJFZIXMDZJX-UHFFFAOYSA-N 0 0 416.477 4.209 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(Cn1nc2n(c1=S)CCCCC2)CC(F)(F)F ZINC000054497090 849880019 /nfs/dbraw/zinc/88/00/19/849880019.db2.gz KHNMJTOZLJQRIN-UHFFFAOYSA-N 0 0 415.441 4.071 20 5 HIBDRN Cc1noc([C@@H]2CCCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C2)n1 ZINC000054674112 849903927 /nfs/dbraw/zinc/90/39/27/849903927.db2.gz KYSASZHQIBWVDD-MRXNPFEDSA-N 0 0 407.430 4.050 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000054819150 849927349 /nfs/dbraw/zinc/92/73/49/849927349.db2.gz WSIVYKOXROCSGK-UHFFFAOYSA-N 0 0 417.893 4.138 20 5 HIBDRN CC(=O)N(c1nc(Cn2nc(C)c([N+](=O)[O-])c2C)cs1)c1ccc(Cl)cc1 ZINC000054901222 849939332 /nfs/dbraw/zinc/93/93/32/849939332.db2.gz NZWFFEGCEDWXPJ-UHFFFAOYSA-N 0 0 405.867 4.251 20 5 HIBDRN CS(=O)(=O)N1CCCc2cc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)ccc21 ZINC000055050701 849964116 /nfs/dbraw/zinc/96/41/16/849964116.db2.gz APPRYTXKNYRNHO-UHFFFAOYSA-N 0 0 415.496 4.098 20 5 HIBDRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055390447 850012095 /nfs/dbraw/zinc/01/20/95/850012095.db2.gz NPLCOHCTKDAINY-CYBMUJFWSA-N 0 0 402.426 4.099 20 5 HIBDRN C[C@@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000055467197 850032726 /nfs/dbraw/zinc/03/27/26/850032726.db2.gz ZNQYRDZMIRLMIJ-CYBMUJFWSA-N 0 0 414.849 4.498 20 5 HIBDRN COc1ccc(-c2csc3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc(=O)c23)cc1OC ZINC000055492636 850040116 /nfs/dbraw/zinc/04/01/16/850040116.db2.gz XOWGWCIJFOATTF-UHFFFAOYSA-N 0 0 409.423 4.244 20 5 HIBDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000055594291 850071571 /nfs/dbraw/zinc/07/15/71/850071571.db2.gz WWFLUTCZCQWJHC-CHWSQXEVSA-N 0 0 401.488 4.335 20 5 HIBDRN Cc1sc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000055615947 850079311 /nfs/dbraw/zinc/07/93/11/850079311.db2.gz MPEJXCRQYCJSJC-UHFFFAOYSA-N 0 0 411.439 4.235 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N(C)C2Cc3ccccc3C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000055628519 850081641 /nfs/dbraw/zinc/08/16/41/850081641.db2.gz JPHCVEHSAGCUQA-INIZCTEOSA-N 0 0 416.481 4.402 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000055700476 850115849 /nfs/dbraw/zinc/11/58/49/850115849.db2.gz PIKMKDBGZSSTCR-HNNXBMFYSA-N 0 0 416.474 4.150 20 5 HIBDRN CCOc1ccc(Oc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3F)ccn2)cc1 ZINC000055771133 850147060 /nfs/dbraw/zinc/14/70/60/850147060.db2.gz BEIFSUUPHOLHOT-UHFFFAOYSA-N 0 0 411.389 4.250 20 5 HIBDRN Cc1sc(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1[N+](=O)[O-] ZINC000055802877 850158162 /nfs/dbraw/zinc/15/81/62/850158162.db2.gz NHLHLZXYSBTVOA-UHFFFAOYSA-N 0 0 409.467 4.455 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000055880604 850193439 /nfs/dbraw/zinc/19/34/39/850193439.db2.gz NWENWVOBVJDUTM-UHFFFAOYSA-N 0 0 418.453 4.230 20 5 HIBDRN Cc1cc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)cc(C)c1OCC(F)(F)F ZINC000055950333 850214811 /nfs/dbraw/zinc/21/48/11/850214811.db2.gz GCSXNUOIIAYNJG-UHFFFAOYSA-N 0 0 410.392 4.354 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000055971140 850218507 /nfs/dbraw/zinc/21/85/07/850218507.db2.gz VSUKMUOJVFGZJQ-CQSZACIVSA-N 0 0 417.512 4.081 20 5 HIBDRN Cc1sc2ncnc(SCCC(=O)NCc3ccccc3[N+](=O)[O-])c2c1C ZINC000056014834 850230710 /nfs/dbraw/zinc/23/07/10/850230710.db2.gz IUMRXODCBDDEIJ-UHFFFAOYSA-N 0 0 402.501 4.015 20 5 HIBDRN CCCCOc1ccccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000056028615 850233706 /nfs/dbraw/zinc/23/37/06/850233706.db2.gz HHFPRQOMEBWLQG-UHFFFAOYSA-N 0 0 413.430 4.101 20 5 HIBDRN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056077186 850238689 /nfs/dbraw/zinc/23/86/89/850238689.db2.gz QGLPNRRJDKRJGG-UHFFFAOYSA-N 0 0 416.441 4.313 20 5 HIBDRN COc1ccc(C)cc1NC(=O)[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000056178343 850273798 /nfs/dbraw/zinc/27/37/98/850273798.db2.gz JMIJQORORYVQNI-QFIPXVFZSA-N 0 0 405.454 4.381 20 5 HIBDRN CCOc1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1[N+](=O)[O-] ZINC000056212075 850286413 /nfs/dbraw/zinc/28/64/13/850286413.db2.gz OCQUHXNIJWIBGV-UHFFFAOYSA-N 0 0 418.877 4.125 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(NC(=O)c2cccnc2)c1 ZINC000056288390 850314165 /nfs/dbraw/zinc/31/41/65/850314165.db2.gz XMBOXFKYHFSFDH-UHFFFAOYSA-N 0 0 418.453 4.293 20 5 HIBDRN Cc1nn(CC(C)C)c(C)c1CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000056288093 850314181 /nfs/dbraw/zinc/31/41/81/850314181.db2.gz CITNORRTVBHCBG-UHFFFAOYSA-N 0 0 400.523 4.434 20 5 HIBDRN CCOc1cc(Br)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000056314285 850321166 /nfs/dbraw/zinc/32/11/66/850321166.db2.gz SMAXNWICVSDKEG-UHFFFAOYSA-N 0 0 409.236 4.407 20 5 HIBDRN C[C@@H](NC(=O)NCc1ccnc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000056400978 850347650 /nfs/dbraw/zinc/34/76/50/850347650.db2.gz QPAPOYBSALTIGH-MRXNPFEDSA-N 0 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ZINC000057367404 850616187 /nfs/dbraw/zinc/61/61/87/850616187.db2.gz FNOKEQAOPICHEW-UHFFFAOYSA-N 0 0 409.236 4.407 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc2ccccc2c1Br ZINC000057421772 850634247 /nfs/dbraw/zinc/63/42/47/850634247.db2.gz WFFUTPYYWHRCFM-UHFFFAOYSA-N 0 0 408.229 4.278 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(-c3cc(Br)cs3)no2)c(F)c1 ZINC000057504487 850653586 /nfs/dbraw/zinc/65/35/86/850653586.db2.gz PCPPWWLEAPBIBJ-UHFFFAOYSA-N 0 0 400.185 4.187 20 5 HIBDRN O=C(c1ccccc1Cc1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000057568671 850672016 /nfs/dbraw/zinc/67/20/16/850672016.db2.gz ARGXNLMVJVLOKY-UHFFFAOYSA-N 0 0 401.466 4.148 20 5 HIBDRN O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000058103815 850766868 /nfs/dbraw/zinc/76/68/68/850766868.db2.gz AYLDQJSBIBLXRG-UHFFFAOYSA-N 0 0 424.416 4.336 20 5 HIBDRN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000058234363 850785637 /nfs/dbraw/zinc/78/56/37/850785637.db2.gz WVENHKJRNULATN-ZDUSSCGKSA-N 0 0 422.416 4.059 20 5 HIBDRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058411294 850817271 /nfs/dbraw/zinc/81/72/71/850817271.db2.gz BURCEKWTQHGZPS-UHFFFAOYSA-N 0 0 421.432 4.310 20 5 HIBDRN O=C(NCc1cccc(Br)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000058427176 850820971 /nfs/dbraw/zinc/82/09/71/850820971.db2.gz ZWBGDEHFBROMOL-UHFFFAOYSA-N 0 0 416.178 4.280 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000058459716 850831956 /nfs/dbraw/zinc/83/19/56/850831956.db2.gz FCWWQSAPUVWBOS-UHFFFAOYSA-N 0 0 403.442 4.171 20 5 HIBDRN CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000058472847 850833445 /nfs/dbraw/zinc/83/34/45/850833445.db2.gz PHCCHKMMNXNNRI-CYBMUJFWSA-N 0 0 412.895 4.337 20 5 HIBDRN CN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000058550498 850853573 /nfs/dbraw/zinc/85/35/73/850853573.db2.gz FHQXXJLWRJBNGS-UHFFFAOYSA-N 0 0 405.439 4.181 20 5 HIBDRN 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CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000065108998 852067265 /nfs/dbraw/zinc/06/72/65/852067265.db2.gz ALUUJQBPQCCUTE-UHFFFAOYSA-N 0 0 407.268 4.009 20 5 HIBDRN CN(CCCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000065115289 852068469 /nfs/dbraw/zinc/06/84/69/852068469.db2.gz IEDVLVFJCVKINU-UHFFFAOYSA-N 0 0 410.499 4.365 20 5 HIBDRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000065498642 852158729 /nfs/dbraw/zinc/15/87/29/852158729.db2.gz BNYWADITTFOTSK-CQSZACIVSA-N 0 0 406.442 4.343 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(COCc2ccccc2)c1 ZINC000065511904 852162089 /nfs/dbraw/zinc/16/20/89/852162089.db2.gz FRTSQCLELBEFRY-UHFFFAOYSA-N 0 0 419.481 4.354 20 5 HIBDRN O=C(NCc1ccc(N2CCCCCC2)nc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437135263 862327477 /nfs/dbraw/zinc/32/74/77/862327477.db2.gz NIBGMXQHYSPWPG-UHFFFAOYSA-N 0 0 422.407 4.319 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)cc1[N+](=O)[O-] ZINC000065561814 852181591 /nfs/dbraw/zinc/18/15/91/852181591.db2.gz WJUDVXPBRLEAOT-UHFFFAOYSA-N 0 0 410.474 4.260 20 5 HIBDRN CC(C)c1nc2ccc(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000065571183 852187964 /nfs/dbraw/zinc/18/79/64/852187964.db2.gz MVPYSHTYDINPDN-LBPRGKRZSA-N 0 0 412.471 4.144 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000065609404 852198817 /nfs/dbraw/zinc/19/88/17/852198817.db2.gz UVZBCNJZDTYVRI-AWEZNQCLSA-N 0 0 417.893 4.500 20 5 HIBDRN O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437144877 862337047 /nfs/dbraw/zinc/33/70/47/862337047.db2.gz KLRBBNIIBHELRZ-UHFFFAOYSA-N 0 0 407.348 4.383 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000437144241 862334921 /nfs/dbraw/zinc/33/49/21/862334921.db2.gz PPHNGAXWLKCRDA-LLVKDONJSA-N 0 0 421.375 4.453 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(OCc2ccccc2)nc1 ZINC000065735568 852239453 /nfs/dbraw/zinc/23/94/53/852239453.db2.gz YLUSDAYAVNBKFI-UHFFFAOYSA-N 0 0 402.410 4.162 20 5 HIBDRN CC1CCN(C(=O)c2ccccc2NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000065736339 852239968 /nfs/dbraw/zinc/23/99/68/852239968.db2.gz PARVXWHPJKNUER-UHFFFAOYSA-N 0 0 420.469 4.060 20 5 HIBDRN Cc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(OC[C@H]2CCCO2)c1 ZINC000065744169 852242550 /nfs/dbraw/zinc/24/25/50/852242550.db2.gz XNOATMIYSGOQPH-GOSISDBHSA-N 0 0 409.442 4.054 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC4C[C@@H]5CC3C[C@H](C4)C5)cc2)c(C)c1[N+](=O)[O-] ZINC000065814125 852265706 /nfs/dbraw/zinc/26/57/06/852265706.db2.gz FNTTZWDNTUJTBX-FUUYNRHESA-N 0 0 408.502 4.107 20 5 HIBDRN CCn1c2ccccc2nc1[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000065825008 852270161 /nfs/dbraw/zinc/27/01/61/852270161.db2.gz SVIDVDIPYUXKJR-INIZCTEOSA-N 0 0 421.501 4.058 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000065859714 852288039 /nfs/dbraw/zinc/28/80/39/852288039.db2.gz IVSRGXCPRFHILN-UHFFFAOYSA-N 0 0 408.380 4.264 20 5 HIBDRN Cc1cccn2cc(-c3ccc(NC(=O)CNc4ccccc4[N+](=O)[O-])cc3)nc12 ZINC000065868880 852292651 /nfs/dbraw/zinc/29/26/51/852292651.db2.gz VMLMXPIFMLZJQP-UHFFFAOYSA-N 0 0 401.426 4.269 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065872336 852295357 /nfs/dbraw/zinc/29/53/57/852295357.db2.gz NTSZQBLMTASFIA-UHFFFAOYSA-N 0 0 417.469 4.031 20 5 HIBDRN Cc1c(NC(=O)CNc2ccccc2[N+](=O)[O-])cccc1NC(=O)c1ccccc1 ZINC000065874120 852295855 /nfs/dbraw/zinc/29/58/55/852295855.db2.gz RHLMXVGQTXOPMC-UHFFFAOYSA-N 0 0 404.426 4.206 20 5 HIBDRN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437152873 862345656 /nfs/dbraw/zinc/34/56/56/862345656.db2.gz JEMVQAHWGNDGJT-INIZCTEOSA-N 0 0 411.380 4.164 20 5 HIBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1N1CCCC1=O ZINC000437153325 862345930 /nfs/dbraw/zinc/34/59/30/862345930.db2.gz JAPVMEUGXPAZMS-UHFFFAOYSA-N 0 0 423.347 4.001 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000066020515 852356232 /nfs/dbraw/zinc/35/62/32/852356232.db2.gz HCDMIJUEKCATCR-QGZVFWFLSA-N 0 0 420.465 4.319 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000066023268 852356721 /nfs/dbraw/zinc/35/67/21/852356721.db2.gz RZZGVQICXVAOHP-NRFANRHFSA-N 0 0 402.422 4.169 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc1[N+](=O)[O-] ZINC000066035628 852360847 /nfs/dbraw/zinc/36/08/47/852360847.db2.gz XOJMHIAAHGJOFL-GFCCVEGCSA-N 0 0 401.488 4.398 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000068718157 852367663 /nfs/dbraw/zinc/36/76/63/852367663.db2.gz REMFINOSTTUNHH-UHFFFAOYSA-N 0 0 422.528 4.389 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cc1[N+](=O)[O-] ZINC000069040455 852382112 /nfs/dbraw/zinc/38/21/12/852382112.db2.gz ZWVPSAQJEHYIMH-KRWDZBQOSA-N 0 0 405.520 4.359 20 5 HIBDRN O=C(N=c1[nH]c2ccccc2n1C1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000071933890 852436144 /nfs/dbraw/zinc/43/61/44/852436144.db2.gz ZWFWOUJPGMJRCS-UHFFFAOYSA-N 0 0 409.402 4.032 20 5 HIBDRN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000071940954 852439776 /nfs/dbraw/zinc/43/97/76/852439776.db2.gz MZASDSGKPRGZOT-UHFFFAOYSA-N 0 0 422.485 4.120 20 5 HIBDRN O=C(CCNc1ccc([N+](=O)[O-])c2cnccc12)Nc1ccc(Br)cc1 ZINC000071964542 852448978 /nfs/dbraw/zinc/44/89/78/852448978.db2.gz CGIADBQPQVBHHT-UHFFFAOYSA-N 0 0 415.247 4.346 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCC1(c2cccc(Br)c2)CCC1 ZINC000072007101 852462060 /nfs/dbraw/zinc/46/20/60/852462060.db2.gz SYJCANKPDDGPTN-UHFFFAOYSA-N 0 0 403.276 4.138 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1cccc(OC(F)F)c1 ZINC000072009741 852464398 /nfs/dbraw/zinc/46/43/98/852464398.db2.gz HJNFIFDNHKAGID-ZDUSSCGKSA-N 0 0 405.401 4.287 20 5 HIBDRN O=C1c2ccccc2C(=O)N1CCCCOc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000072033522 852476536 /nfs/dbraw/zinc/47/65/36/852476536.db2.gz UHSLWCSGFRYBKX-UHFFFAOYSA-N 0 0 408.332 4.069 20 5 HIBDRN CCN(Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1)C(=O)C(F)(F)F ZINC000072068749 852493722 /nfs/dbraw/zinc/49/37/22/852493722.db2.gz XAEMUZJCXJGNSK-UHFFFAOYSA-N 0 0 409.364 4.066 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OCC(=O)c1cc(C)n(Cc2ccc(F)cc2)c1C ZINC000072068047 852494164 /nfs/dbraw/zinc/49/41/64/852494164.db2.gz YTIIUUOISYLDDM-UHFFFAOYSA-N 0 0 412.417 4.471 20 5 HIBDRN COC(=O)Nc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1F ZINC000072091207 852505745 /nfs/dbraw/zinc/50/57/45/852505745.db2.gz QPEUTJJWGWYYQB-UHFFFAOYSA-N 0 0 419.412 4.111 20 5 HIBDRN COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000078654579 852523264 /nfs/dbraw/zinc/52/32/64/852523264.db2.gz VBVZKRNJOCHJRC-QHCPKHFHSA-N 0 0 418.449 4.448 20 5 HIBDRN O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078663243 852524165 /nfs/dbraw/zinc/52/41/65/852524165.db2.gz XLSWKNKWRAQYBR-AWEZNQCLSA-N 0 0 403.744 4.122 20 5 HIBDRN Cc1cc(C)cc(-c2nnc(S[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)o2)c1 ZINC000078768253 852528144 /nfs/dbraw/zinc/52/81/44/852528144.db2.gz WLTHHTZBLWDLHQ-QGZVFWFLSA-N 0 0 410.455 4.159 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1[N+](=O)[O-] ZINC000078775102 852529323 /nfs/dbraw/zinc/52/93/23/852529323.db2.gz AEUGOHKNPCWVQE-CYBMUJFWSA-N 0 0 411.487 4.252 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000079362082 852543546 /nfs/dbraw/zinc/54/35/46/852543546.db2.gz OJNANHIOSNEHOG-LLVKDONJSA-N 0 0 418.862 4.095 20 5 HIBDRN CN(Cc1ccccc1N1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000096957030 852563392 /nfs/dbraw/zinc/56/33/92/852563392.db2.gz XTUVNSACBCMDMX-UHFFFAOYSA-N 0 0 422.529 4.458 20 5 HIBDRN CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1ccccc1[N+](=O)[O-] ZINC000096980040 852567020 /nfs/dbraw/zinc/56/70/20/852567020.db2.gz QBBPQCQPKMPXPS-UHFFFAOYSA-N 0 0 420.535 4.059 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(C(F)(F)F)nc1 ZINC000097043538 852577730 /nfs/dbraw/zinc/57/77/30/852577730.db2.gz VXDFKRDDGMYCKC-UHFFFAOYSA-N 0 0 415.327 4.492 20 5 HIBDRN Cn1c2ccc(F)cc2nc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000437178209 862371853 /nfs/dbraw/zinc/37/18/53/862371853.db2.gz CTTACSGCAOLDNX-UHFFFAOYSA-N 0 0 419.416 4.485 20 5 HIBDRN CCCC[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(OC)cc1 ZINC000097548570 852627390 /nfs/dbraw/zinc/62/73/90/852627390.db2.gz SKNBLUQGTKAZBK-HXUWFJFHSA-N 0 0 408.458 4.450 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(c1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000097592451 852640464 /nfs/dbraw/zinc/64/04/64/852640464.db2.gz YTZWZBBNQGEHIR-AWEZNQCLSA-N 0 0 404.488 4.160 20 5 HIBDRN Cc1ccc(Oc2ccccc2NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000104711986 852674661 /nfs/dbraw/zinc/67/46/61/852674661.db2.gz CHGAMUCYPKBJFK-MRXNPFEDSA-N 0 0 419.437 4.453 20 5 HIBDRN C[C@@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccs2)o1 ZINC000104932250 852683286 /nfs/dbraw/zinc/68/32/86/852683286.db2.gz JOEDFZUSQTXTGY-MNOVXSKESA-N 0 0 405.457 4.491 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000105019040 852687382 /nfs/dbraw/zinc/68/73/82/852687382.db2.gz XLUZFUYXOCMFQU-KRZKXXONSA-N 0 0 419.485 4.037 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000105019037 852687394 /nfs/dbraw/zinc/68/73/94/852687394.db2.gz XLUZFUYXOCMFQU-MOTZXUDYSA-N 0 0 419.485 4.037 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1noc(-c2ccc(F)cc2)n1 ZINC000105245206 852695199 /nfs/dbraw/zinc/69/51/99/852695199.db2.gz NCQMSAAGZRMPSN-NSHDSACASA-N 0 0 403.391 4.008 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000105397379 852703682 /nfs/dbraw/zinc/70/36/82/852703682.db2.gz MTSOPHAXPIEZOB-LJQANCHMSA-N 0 0 423.498 4.064 20 5 HIBDRN COc1ccc(OC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000105496512 852708495 /nfs/dbraw/zinc/70/84/95/852708495.db2.gz XXYJPKXVKMKESY-UHFFFAOYSA-N 0 0 402.790 4.450 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105528970 852710633 /nfs/dbraw/zinc/71/06/33/852710633.db2.gz LJFSYCWYBZKTAB-CYBMUJFWSA-N 0 0 400.822 4.148 20 5 HIBDRN Cc1cc(NC(=O)/C=C/c2nc3ccccc3s2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105587168 852714978 /nfs/dbraw/zinc/71/49/78/852714978.db2.gz ZKEPHGBODGMBGG-ZHACJKMWSA-N 0 0 405.439 4.351 20 5 HIBDRN CSc1ccc(C)c(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 ZINC000105640376 852719351 /nfs/dbraw/zinc/71/93/51/852719351.db2.gz DHUACVYNKBZHFU-SFHVURJKSA-N 0 0 416.499 4.438 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000107771575 852795608 /nfs/dbraw/zinc/79/56/08/852795608.db2.gz WGUQGTTUKSIBQL-UHFFFAOYSA-N 0 0 423.494 4.407 20 5 HIBDRN CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000437205252 862393809 /nfs/dbraw/zinc/39/38/09/862393809.db2.gz YIMDQEHUNJMBIH-GOEBONIOSA-N 0 0 402.472 4.010 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000107959021 852811586 /nfs/dbraw/zinc/81/15/86/852811586.db2.gz HTLXECWKXNLNMT-JTQLQIEISA-N 0 0 413.655 4.094 20 5 HIBDRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000107961178 852812613 /nfs/dbraw/zinc/81/26/13/852812613.db2.gz KPAKJOVWZYGWOC-UHFFFAOYSA-N 0 0 402.838 4.423 20 5 HIBDRN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1 ZINC000108131675 852824755 /nfs/dbraw/zinc/82/47/55/852824755.db2.gz NMMZWSLYJUYMHQ-UHFFFAOYSA-N 0 0 419.466 4.144 20 5 HIBDRN O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000108343789 852841101 /nfs/dbraw/zinc/84/11/01/852841101.db2.gz NNUIBELGLLFZSU-UHFFFAOYSA-N 0 0 424.310 4.113 20 5 HIBDRN COc1cc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1C ZINC000108807976 852881179 /nfs/dbraw/zinc/88/11/79/852881179.db2.gz UQSLOCDOZNSSED-INIZCTEOSA-N 0 0 420.469 4.410 20 5 HIBDRN Cc1ccc(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 ZINC000109025252 852910828 /nfs/dbraw/zinc/91/08/28/852910828.db2.gz XRMIUBWCKVLUQZ-UHFFFAOYSA-N 0 0 424.478 4.154 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)COc2cccc(Cl)c2Cl)c2ccncc21 ZINC000109073370 852917532 /nfs/dbraw/zinc/91/75/32/852917532.db2.gz LJDRLNIFUSCMRS-LLVKDONJSA-N 0 0 408.241 4.302 20 5 HIBDRN CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000437216767 862407564 /nfs/dbraw/zinc/40/75/64/862407564.db2.gz OSEKOUMTLBAJQV-JKSUJKDBSA-N 0 0 405.248 4.042 20 5 HIBDRN Cc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1Br ZINC000109274995 852946450 /nfs/dbraw/zinc/94/64/50/852946450.db2.gz GYWQNBPKNWDHSN-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1nc(-c2ccccc2)c[nH]1 ZINC000109847653 853022458 /nfs/dbraw/zinc/02/24/58/853022458.db2.gz PPOYANHYEUOTII-KRWDZBQOSA-N 0 0 414.487 4.031 20 5 HIBDRN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109853987 853023757 /nfs/dbraw/zinc/02/37/57/853023757.db2.gz IJBZKKLMHPUVMA-UHFFFAOYSA-N 0 0 422.422 4.223 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000109852856 853023854 /nfs/dbraw/zinc/02/38/54/853023854.db2.gz IZLGLFQFZMRJFI-UHFFFAOYSA-N 0 0 414.849 4.464 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109870353 853026119 /nfs/dbraw/zinc/02/61/19/853026119.db2.gz AZDGRVUDXWIBRG-UHFFFAOYSA-N 0 0 421.240 4.094 20 5 HIBDRN CC(C)N(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(C)C ZINC000109867483 853026226 /nfs/dbraw/zinc/02/62/26/853026226.db2.gz YUMINWJLBWKESG-UHFFFAOYSA-N 0 0 401.429 4.475 20 5 HIBDRN Cc1nc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2s1 ZINC000110309574 853084850 /nfs/dbraw/zinc/08/48/50/853084850.db2.gz QTUVDERTNHKSHL-GOSISDBHSA-N 0 0 424.482 4.065 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccnc(Sc2ccccn2)c1 ZINC000110320262 853087559 /nfs/dbraw/zinc/08/75/59/853087559.db2.gz IUNJKDXPXJDQIN-UHFFFAOYSA-N 0 0 405.439 4.129 20 5 HIBDRN CCC[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000110429815 853099295 /nfs/dbraw/zinc/09/92/95/853099295.db2.gz YLLYDFJKZCDYCB-KRWDZBQOSA-N 0 0 423.391 4.001 20 5 HIBDRN C[C@@H]1CN(Cc2cccc(CNc3ccc(Br)cc3[N+](=O)[O-])c2)CCO1 ZINC000110459664 853102367 /nfs/dbraw/zinc/10/23/67/853102367.db2.gz YLSXCJFNMBLESG-CQSZACIVSA-N 0 0 420.307 4.190 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000437229001 862429358 /nfs/dbraw/zinc/42/93/58/862429358.db2.gz YUFHZJKOPQFSIV-WCQYABFASA-N 0 0 412.776 4.144 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1SC(=O)N(C)C ZINC000110642432 853131392 /nfs/dbraw/zinc/13/13/92/853131392.db2.gz DXURVVBOEWTBTN-GFCCVEGCSA-N 0 0 405.501 4.488 20 5 HIBDRN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437230838 862432659 /nfs/dbraw/zinc/43/26/59/862432659.db2.gz ZYIUXSYYQWAIPR-GFCCVEGCSA-N 0 0 411.355 4.009 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000110846310 853156005 /nfs/dbraw/zinc/15/60/05/853156005.db2.gz OZHGDDFNDVRQTD-OAHLLOKOSA-N 0 0 414.405 4.448 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000110853315 853157348 /nfs/dbraw/zinc/15/73/48/853157348.db2.gz FYOMXDOIAJNPPS-INIZCTEOSA-N 0 0 414.405 4.448 20 5 HIBDRN CN(C)C(=O)Sc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000111000984 853184948 /nfs/dbraw/zinc/18/49/48/853184948.db2.gz LUJFFJJJHTXZAX-UHFFFAOYSA-N 0 0 424.276 4.383 20 5 HIBDRN O=C(Nc1ccccc1I)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111008457 853186784 /nfs/dbraw/zinc/18/67/84/853186784.db2.gz QFLHFVPOZMZNKC-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN O=C(Nc1ccc(Cl)cn1)C1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000111119754 853204507 /nfs/dbraw/zinc/20/45/07/853204507.db2.gz CQYIQQYFLDVHLK-UHFFFAOYSA-N 0 0 417.878 4.108 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)cc2[N+](=O)[O-])C1 ZINC000115628952 853256218 /nfs/dbraw/zinc/25/62/18/853256218.db2.gz SUKPULNORHGQHQ-HNNXBMFYSA-N 0 0 422.485 4.432 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N(CC(F)(F)F)c3ccccn3)cc2[N+](=O)[O-])CC1 ZINC000115830051 853267004 /nfs/dbraw/zinc/26/70/04/853267004.db2.gz DVDJZPYLZKUXPG-UHFFFAOYSA-N 0 0 422.407 4.435 20 5 HIBDRN COc1ccc2c(c1)CCN2C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000116149425 853287056 /nfs/dbraw/zinc/28/70/56/853287056.db2.gz UDUAWALXKOADPG-HNNXBMFYSA-N 0 0 418.453 4.374 20 5 HIBDRN COc1c(C)cnc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1C ZINC000116247854 853294652 /nfs/dbraw/zinc/29/46/52/853294652.db2.gz SPCYSKWRMKOODQ-UHFFFAOYSA-N 0 0 420.469 4.157 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)Nc2ccncc2)c1 ZINC000116587800 853317836 /nfs/dbraw/zinc/31/78/36/853317836.db2.gz VAVIXTHWVWVQJC-UHFFFAOYSA-N 0 0 419.441 4.073 20 5 HIBDRN O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000116620602 853320711 /nfs/dbraw/zinc/32/07/11/853320711.db2.gz WKFJCZJVOKWZPC-UHFFFAOYSA-N 0 0 410.474 4.038 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(CCc1ccccc1)C1CCCC1 ZINC000116842199 853335070 /nfs/dbraw/zinc/33/50/70/853335070.db2.gz PKUKWKXMROREOM-UHFFFAOYSA-N 0 0 404.470 4.408 20 5 HIBDRN COc1ccc(C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 ZINC000117236104 853349113 /nfs/dbraw/zinc/34/91/13/853349113.db2.gz IHJKHZLTAFPBBW-LJQANCHMSA-N 0 0 412.467 4.387 20 5 HIBDRN CCCOc1ccc([C@@H](C)NC(=O)c2ccc(NCC)c([N+](=O)[O-])c2)cc1OC ZINC000117267574 853350153 /nfs/dbraw/zinc/35/01/53/853350153.db2.gz MRBCHBHLTHNLEX-CQSZACIVSA-N 0 0 401.463 4.315 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ncc1Br ZINC000125957137 853370562 /nfs/dbraw/zinc/37/05/62/853370562.db2.gz TYJAIERPUXHWBS-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])c1sccc1Br ZINC000133756686 853372337 /nfs/dbraw/zinc/37/23/37/853372337.db2.gz HXNJDAGMRUCATB-UHFFFAOYSA-N 0 0 421.066 4.443 20 5 HIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000140421723 853443600 /nfs/dbraw/zinc/44/36/00/853443600.db2.gz HDFLJILHWVSKFV-UHFFFAOYSA-N 0 0 408.801 4.175 20 5 HIBDRN CC(C)(C)[C@@H](NCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1ccc(F)cc1 ZINC000140725127 853450869 /nfs/dbraw/zinc/45/08/69/853450869.db2.gz UVEVJSCYNFXCSH-NRFANRHFSA-N 0 0 410.449 4.292 20 5 HIBDRN COc1ccc(OC(F)F)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000140894319 853456165 /nfs/dbraw/zinc/45/61/65/853456165.db2.gz HHMWOIMUYSMZHT-SECBINFHSA-N 0 0 416.764 4.264 20 5 HIBDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000140887139 853456616 /nfs/dbraw/zinc/45/66/16/853456616.db2.gz ZNHWTTXAZPYCKT-ZDUSSCGKSA-N 0 0 406.280 4.130 20 5 HIBDRN Cc1c(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cccc1[N+](=O)[O-] ZINC000141689520 853478072 /nfs/dbraw/zinc/47/80/72/853478072.db2.gz FIMRBDOYQJTYSY-UHFFFAOYSA-N 0 0 400.438 4.231 20 5 HIBDRN CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146471979 853570653 /nfs/dbraw/zinc/57/06/53/853570653.db2.gz VGEXSVKOQHRUJK-UHFFFAOYSA-N 0 0 408.785 4.088 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c1 ZINC000146992011 853580088 /nfs/dbraw/zinc/58/00/88/853580088.db2.gz ADKCOZLMMNBVPV-OAHLLOKOSA-N 0 0 407.426 4.068 20 5 HIBDRN COc1cc(OCC(=O)N(Cc2cccs2)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000146974607 853580141 /nfs/dbraw/zinc/58/01/41/853580141.db2.gz PMTWFMMSLQJFKF-UHFFFAOYSA-N 0 0 418.496 4.334 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c1 ZINC000147437260 853587940 /nfs/dbraw/zinc/58/79/40/853587940.db2.gz UEOKZYSIIOLWDS-UHFFFAOYSA-N 0 0 419.437 4.061 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 ZINC000147633068 853591605 /nfs/dbraw/zinc/59/16/05/853591605.db2.gz CMRYSJBGWUPHCN-UHFFFAOYSA-N 0 0 415.789 4.354 20 5 HIBDRN CC(C)c1cccc(N(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 ZINC000149004472 853617047 /nfs/dbraw/zinc/61/70/47/853617047.db2.gz YNWPHEFMAFEZSJ-UHFFFAOYSA-N 0 0 411.487 4.275 20 5 HIBDRN O=C(Nc1ccc(F)cc1I)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149530349 853626665 /nfs/dbraw/zinc/62/66/65/853626665.db2.gz NKVJOIZWBRSCHU-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN Cc1c(Br)c(NCc2cccc(Br)c2)ncc1[N+](=O)[O-] ZINC000165736924 853652931 /nfs/dbraw/zinc/65/29/31/853652931.db2.gz RVSOOAFVRQJJMH-UHFFFAOYSA-N 0 0 401.058 4.435 20 5 HIBDRN Cc1c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000195535148 853671301 /nfs/dbraw/zinc/67/13/01/853671301.db2.gz HWSXLNQBKCHMRK-KRWDZBQOSA-N 0 0 422.268 4.453 20 5 HIBDRN CC(C)(Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000195557836 853682634 /nfs/dbraw/zinc/68/26/34/853682634.db2.gz SJJKXMUSUKCQBZ-UHFFFAOYSA-N 0 0 414.355 4.482 20 5 HIBDRN Cc1cccc(OCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000195596917 853704511 /nfs/dbraw/zinc/70/45/11/853704511.db2.gz VYBDFVGMJTXNNF-IBGZPJMESA-N 0 0 400.431 4.388 20 5 HIBDRN COc1ccc(OC)c2c1CN(C(=O)c1cc3ccccc3c3cccnc13)C[C@H]2O ZINC000195629346 853725940 /nfs/dbraw/zinc/72/59/40/853725940.db2.gz XGJJHYQJGXNTSZ-HXUWFJFHSA-N 0 0 414.461 4.095 20 5 HIBDRN CC[C@@H](C)NC(=O)c1cccc(CNc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000195668151 853747454 /nfs/dbraw/zinc/74/74/54/853747454.db2.gz GEOVYUXTKSZAJN-GFCCVEGCSA-N 0 0 406.280 4.498 20 5 HIBDRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc(C)cc([N+](=O)[O-])c3)c2)cc1 ZINC000195692622 853761463 /nfs/dbraw/zinc/76/14/63/853761463.db2.gz HPYRURSPCAVQIJ-UHFFFAOYSA-N 0 0 403.438 4.394 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Br)cc2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195692856 853761782 /nfs/dbraw/zinc/76/17/82/853761782.db2.gz NUAGXIKQZWNYSY-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN COc1ccc(Sc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2Cl)cc1 ZINC000195704451 853769472 /nfs/dbraw/zinc/76/94/72/853769472.db2.gz QYSCTCZGELXBDM-UHFFFAOYSA-N 0 0 418.862 4.243 20 5 HIBDRN CN(C)c1ccc2cc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)ccc2n1 ZINC000195705195 853770282 /nfs/dbraw/zinc/77/02/82/853770282.db2.gz NRYQDAFCOCBPBW-UHFFFAOYSA-N 0 0 405.458 4.062 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)CC(C)(C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000195714650 853774889 /nfs/dbraw/zinc/77/48/89/853774889.db2.gz YNTPTFRHZZICOT-IBGZPJMESA-N 0 0 412.486 4.462 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](OC(=O)/C=C\c2ccco2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000206692112 853799812 /nfs/dbraw/zinc/79/98/12/853799812.db2.gz TVLIFFFRWMZHTJ-SKIIKRCTSA-N 0 0 406.394 4.433 20 5 HIBDRN Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)NC1=S ZINC000210222205 853813618 /nfs/dbraw/zinc/81/36/18/853813618.db2.gz PYLYIGOZZYFWAK-ATVHPVEESA-N 0 0 405.435 4.425 20 5 HIBDRN COc1ccc2cc(/C=C\C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2c1 ZINC000212168873 853819722 /nfs/dbraw/zinc/81/97/22/853819722.db2.gz CTPPVGZTUOWHBX-JYOAFUTRSA-N 0 0 417.465 4.119 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000216077140 853843065 /nfs/dbraw/zinc/84/30/65/853843065.db2.gz WEALJFPPUSSVHE-QFIPXVFZSA-N 0 0 404.470 4.153 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] ZINC000216128848 853845310 /nfs/dbraw/zinc/84/53/10/853845310.db2.gz YCLDDIKVPLHBIT-UHFFFAOYSA-N 0 0 410.757 4.076 20 5 HIBDRN CC[C@@H](C)[C@H](C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000216189096 853847033 /nfs/dbraw/zinc/84/70/33/853847033.db2.gz MOBJVAITSNOHMQ-VFNWGFHPSA-N 0 0 400.475 4.101 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc3ccccc3s2)cn1 ZINC000216712255 853857994 /nfs/dbraw/zinc/85/79/94/853857994.db2.gz FNIDJMWUVFXSRV-UHFFFAOYSA-N 0 0 406.423 4.284 20 5 HIBDRN COCCn1c2ccc(Cl)cc2nc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000216812439 853858431 /nfs/dbraw/zinc/85/84/31/853858431.db2.gz DNZVIESVLZKTPH-UHFFFAOYSA-N 0 0 405.863 4.219 20 5 HIBDRN O=C(CSc1nnc(NCCc2cccs2)s1)c1cccc([N+](=O)[O-])c1 ZINC000217123438 853860343 /nfs/dbraw/zinc/86/03/43/853860343.db2.gz IVCPBJZJJAJEPV-UHFFFAOYSA-N 0 0 406.514 4.137 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000217380704 853862251 /nfs/dbraw/zinc/86/22/51/853862251.db2.gz WGQSGNLURQBNQD-LLVKDONJSA-N 0 0 413.808 4.309 20 5 HIBDRN Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1I ZINC000219339201 853868907 /nfs/dbraw/zinc/86/89/07/853868907.db2.gz BPIBOOZYUPKTSL-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000219453614 853869797 /nfs/dbraw/zinc/86/97/97/853869797.db2.gz JNBRDPGEQPDDMZ-UHFFFAOYSA-N 0 0 420.322 4.141 20 5 HIBDRN O=C(Nc1cc(F)ccc1Cl)c1cc([N+](=O)[O-])ccc1I ZINC000219543789 853870823 /nfs/dbraw/zinc/87/08/23/853870823.db2.gz BLIWKVUCUNABGH-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(Br)sc1Br ZINC000227271002 853884405 /nfs/dbraw/zinc/88/44/05/853884405.db2.gz ZSPMVZOKYPFCJV-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000437273938 862517522 /nfs/dbraw/zinc/51/75/22/862517522.db2.gz LWFPIOWRCSMUGO-QMTHXVAHSA-N 0 0 408.813 4.081 20 5 HIBDRN CCC[C@@H](NCc1csc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000236921873 853938461 /nfs/dbraw/zinc/93/84/61/853938461.db2.gz AYGJMIYSDITEQN-GOSISDBHSA-N 0 0 402.520 4.154 20 5 HIBDRN CCc1cnc(CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)s1 ZINC000237015908 853951666 /nfs/dbraw/zinc/95/16/66/853951666.db2.gz JUVJSTKVWBKPNH-UHFFFAOYSA-N 0 0 413.499 4.491 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n(-c2ccccc2F)n1 ZINC000437274753 862519523 /nfs/dbraw/zinc/51/95/23/862519523.db2.gz NWNKBMCULSNEJI-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cnn(C)c1 ZINC000237420536 854028472 /nfs/dbraw/zinc/02/84/72/854028472.db2.gz YEDRGDLQMGKJNX-LLVKDONJSA-N 0 0 405.252 4.202 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNCc3nc(C(F)(F)F)cs3)cs2)c1 ZINC000237713366 854081939 /nfs/dbraw/zinc/08/19/39/854081939.db2.gz RVNKRFRAJMYDHA-UHFFFAOYSA-N 0 0 400.407 4.483 20 5 HIBDRN Cc1cnn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2F)c1 ZINC000437281976 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/nfs/dbraw/zinc/41/43/07/854414307.db2.gz LUXFSHBHXWMUNW-UHFFFAOYSA-N 0 0 424.280 4.411 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N[C@@H]2CCN(c3ncccc3F)C2)c([N+](=O)[O-])c1 ZINC000301538508 854416169 /nfs/dbraw/zinc/41/61/69/854416169.db2.gz AUUBLECWFSLBOR-QGZVFWFLSA-N 0 0 406.417 4.051 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000301542163 854416982 /nfs/dbraw/zinc/41/69/82/854416982.db2.gz COMRTBIUHCCTHD-INIZCTEOSA-N 0 0 419.485 4.333 20 5 HIBDRN Cc1cc(C)c(NC(=O)CN(C)c2ccc([N+](=O)[O-])cc2Br)c(C)c1 ZINC000301547872 854417858 /nfs/dbraw/zinc/41/78/58/854417858.db2.gz PPQWVPUKKHSMKT-UHFFFAOYSA-N 0 0 406.280 4.357 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1nc2sccn2c1[N+](=O)[O-] ZINC000301570639 854421680 /nfs/dbraw/zinc/42/16/80/854421680.db2.gz NQUDUTIKSQJVJU-UHFFFAOYSA-N 0 0 414.274 4.076 20 5 HIBDRN COc1cc(OC)cc(N2CC[C@@H](CNc3ccc([N+](=O)[O-])c4cccnc34)C2)c1 ZINC000301611515 854429866 /nfs/dbraw/zinc/42/98/66/854429866.db2.gz RMUMGBQYAPNRGY-HNNXBMFYSA-N 0 0 408.458 4.099 20 5 HIBDRN Cc1cc(N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)ncc1[N+](=O)[O-] ZINC000301619131 854431605 /nfs/dbraw/zinc/43/16/05/854431605.db2.gz LRIWNTYIOWQMJP-NSHDSACASA-N 0 0 401.776 4.056 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCO[C@@H](c2cccs2)C1 ZINC000301635593 854434493 /nfs/dbraw/zinc/43/44/93/854434493.db2.gz FAYAWADJEDQCPA-GFCCVEGCSA-N 0 0 403.338 4.161 20 5 HIBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000301636397 854434917 /nfs/dbraw/zinc/43/49/17/854434917.db2.gz AESFVVKZPXMHJI-UHFFFAOYSA-N 0 0 405.376 4.267 20 5 HIBDRN COc1cc(NCc2ccc(N3CCc4ccccc4C3)nc2)c([N+](=O)[O-])cc1F ZINC000301639488 854435626 /nfs/dbraw/zinc/43/56/26/854435626.db2.gz YCXMTTLCJZPGRK-UHFFFAOYSA-N 0 0 408.433 4.312 20 5 HIBDRN CNC(=O)c1ccc(NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000301651406 854437633 /nfs/dbraw/zinc/43/76/33/854437633.db2.gz JZELANLJNRKASO-UHFFFAOYSA-N 0 0 400.822 4.183 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1Cl ZINC000301659477 854439367 /nfs/dbraw/zinc/43/93/67/854439367.db2.gz IZTQOOHVKQIGNW-LJQANCHMSA-N 0 0 422.840 4.124 20 5 HIBDRN O=C(Nc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1)c1ccco1 ZINC000301674284 854441743 /nfs/dbraw/zinc/44/17/43/854441743.db2.gz GRDWQWXDHXCKQG-UHFFFAOYSA-N 0 0 417.219 4.210 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000301671440 854441970 /nfs/dbraw/zinc/44/19/70/854441970.db2.gz FNQBMNWKKNNHPU-UHFFFAOYSA-N 0 0 414.206 4.078 20 5 HIBDRN COc1ccc(-c2csc(CNc3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)c2)cc1 ZINC000301695647 854447575 /nfs/dbraw/zinc/44/75/75/854447575.db2.gz PLVQVVPJZLSFQC-UHFFFAOYSA-N 0 0 411.439 4.275 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301702836 854448177 /nfs/dbraw/zinc/44/81/77/854448177.db2.gz UIXLLQFTNQSQGA-UHFFFAOYSA-N 0 0 402.252 4.167 20 5 HIBDRN Cc1nccn1-c1ccc([C@@H](C)Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1 ZINC000301728745 854453615 /nfs/dbraw/zinc/45/36/15/854453615.db2.gz CAPRFYSPYYMHPF-OAHLLOKOSA-N 0 0 407.474 4.400 20 5 HIBDRN Cc1nccn1-c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1 ZINC000301749140 854458954 /nfs/dbraw/zinc/45/89/54/854458954.db2.gz SVWDARLOXCVWJF-MRXNPFEDSA-N 0 0 419.485 4.498 20 5 HIBDRN Cc1ccnc(Nc2cccc(Oc3ncc(Br)cn3)c2)c1[N+](=O)[O-] ZINC000301753322 854459364 /nfs/dbraw/zinc/45/93/64/854459364.db2.gz JJTZRJILVBLBBZ-UHFFFAOYSA-N 0 0 402.208 4.387 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cnc1Oc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000301753061 854459865 /nfs/dbraw/zinc/45/98/65/854459865.db2.gz VVWVHNKNZOQZPS-UHFFFAOYSA-N 0 0 405.819 4.236 20 5 HIBDRN NS(=O)(=O)c1ccc(NCc2ccc(Sc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000301765197 854461537 /nfs/dbraw/zinc/46/15/37/854461537.db2.gz HQVPPZPIMMJOKH-UHFFFAOYSA-N 0 0 415.496 4.006 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ncnc4sc(-c5ccccc5)cc43)C2)nc1 ZINC000301765934 854461828 /nfs/dbraw/zinc/46/18/28/854461828.db2.gz BGJGVLMGRUJVDR-HNNXBMFYSA-N 0 0 418.482 4.352 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1)Nc1cccc(F)c1 ZINC000301768470 854462242 /nfs/dbraw/zinc/46/22/42/854462242.db2.gz DTRHEGHUSRZGGT-GFCCVEGCSA-N 0 0 408.380 4.050 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1cccc(-c2ccccn2)c1 ZINC000301784267 854464826 /nfs/dbraw/zinc/46/48/26/854464826.db2.gz KWFOFGFOOVXQJM-UHFFFAOYSA-N 0 0 419.409 4.265 20 5 HIBDRN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000301782574 854464929 /nfs/dbraw/zinc/46/49/29/854464929.db2.gz ODSVAPHYVDVSHI-BBRMVZONSA-N 0 0 402.476 4.041 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCO[C@]2(CCc3ccccc32)C1 ZINC000301785516 854465445 /nfs/dbraw/zinc/46/54/45/854465445.db2.gz VPTLXQOTBOFGMK-GOSISDBHSA-N 0 0 423.347 4.200 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000301833749 854472802 /nfs/dbraw/zinc/47/28/02/854472802.db2.gz JVZBNSMHOLWYTL-UHFFFAOYSA-N 0 0 402.252 4.167 20 5 HIBDRN C[N@@H+]1CCC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301851391 854475692 /nfs/dbraw/zinc/47/56/92/854475692.db2.gz ANQSUTOPNPZIKK-BDJLRTHQSA-N 0 0 411.325 4.309 20 5 HIBDRN O=C(c1cccc(F)c1)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301865395 854479481 /nfs/dbraw/zinc/47/94/81/854479481.db2.gz HASCKJCMRNDXLM-UHFFFAOYSA-N 0 0 420.444 4.148 20 5 HIBDRN Cc1ccccc1C1(CNc2c(Br)cncc2[N+](=O)[O-])CCOCC1 ZINC000301887670 854485086 /nfs/dbraw/zinc/48/50/86/854485086.db2.gz MVPYXUQIVHPCSQ-UHFFFAOYSA-N 0 0 406.280 4.221 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1Cl ZINC000301888990 854485116 /nfs/dbraw/zinc/48/51/16/854485116.db2.gz LEJIGDHTYHNBIS-GOSISDBHSA-N 0 0 408.813 4.060 20 5 HIBDRN C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000301896044 854487161 /nfs/dbraw/zinc/48/71/61/854487161.db2.gz YTXVOQXHZGRZBP-JTQLQIEISA-N 0 0 404.224 4.018 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000301898676 854488172 /nfs/dbraw/zinc/48/81/72/854488172.db2.gz SJWUIMXZNAAMHC-UHFFFAOYSA-N 0 0 407.199 4.201 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000301906749 854489756 /nfs/dbraw/zinc/48/97/56/854489756.db2.gz ZHUSMAQKIPJBSF-LBPRGKRZSA-N 0 0 407.051 4.205 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1NCc1ccnc(OCc2ccccc2)c1 ZINC000301905693 854490020 /nfs/dbraw/zinc/49/00/20/854490020.db2.gz YRPXBDKCUBELHF-UHFFFAOYSA-N 0 0 415.247 4.338 20 5 HIBDRN CC(C)(C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)cs1 ZINC000301922229 854493506 /nfs/dbraw/zinc/49/35/06/854493506.db2.gz GFZIDKGJBAOHJU-UHFFFAOYSA-N 0 0 411.531 4.219 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCc3c2ccc(Cl)c3Cl)s1 ZINC000301934319 854497303 /nfs/dbraw/zinc/49/73/03/854497303.db2.gz OFNBXMDTYRSVOQ-SNVBAGLBSA-N 0 0 407.300 4.466 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301940131 854499571 /nfs/dbraw/zinc/49/95/71/854499571.db2.gz UENIMQHTMMFDGX-UHFFFAOYSA-N 0 0 419.528 4.234 20 5 HIBDRN O=C(NC1CC1)c1ccc(N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000301954943 854503954 /nfs/dbraw/zinc/50/39/54/854503954.db2.gz KBZNHJFGLQWABQ-HKUYNNGSSA-N 0 0 419.840 4.222 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301964070 854505437 /nfs/dbraw/zinc/50/54/37/854505437.db2.gz VPCWJFDNQUUTMD-GXTWGEPZSA-N 0 0 416.634 4.487 20 5 HIBDRN COc1cc(N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(F)cc1[N+](=O)[O-] ZINC000301969368 854506650 /nfs/dbraw/zinc/50/66/50/854506650.db2.gz QILGZZSHUABQFF-ZDUSSCGKSA-N 0 0 416.384 4.316 20 5 HIBDRN COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000301969802 854507535 /nfs/dbraw/zinc/50/75/35/854507535.db2.gz CGYBJNKNWJXEFV-AWEZNQCLSA-N 0 0 416.453 4.172 20 5 HIBDRN O=C(c1cc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301986588 854510292 /nfs/dbraw/zinc/51/02/92/854510292.db2.gz KEOLZFJAADLYDG-UYAOXDASSA-N 0 0 415.877 4.426 20 5 HIBDRN O=C(c1cc(N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000302034209 854519539 /nfs/dbraw/zinc/51/95/39/854519539.db2.gz TXOSKEWESQMCFJ-AZUAARDMSA-N 0 0 417.412 4.051 20 5 HIBDRN O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)cc1)c1ccncc1 ZINC000302142478 854536777 /nfs/dbraw/zinc/53/67/77/854536777.db2.gz FRJZTRUWHUAGKW-UHFFFAOYSA-N 0 0 414.368 4.456 20 5 HIBDRN NS(=O)(=O)c1cccc(NCc2ccccc2Sc2ccccc2)c1[N+](=O)[O-] ZINC000302146318 854537439 /nfs/dbraw/zinc/53/74/39/854537439.db2.gz RGLLVEXCNZDNGE-UHFFFAOYSA-N 0 0 415.496 4.006 20 5 HIBDRN CN(C)c1ccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)c2c[nH]c3ccccc32)cc1 ZINC000302150875 854538072 /nfs/dbraw/zinc/53/80/72/854538072.db2.gz KJNARVMXXIQFIQ-LJQANCHMSA-N 0 0 402.458 4.176 20 5 HIBDRN Cc1nc2nc(Sc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)nn2c(C)c1C ZINC000302166354 854540753 /nfs/dbraw/zinc/54/07/53/854540753.db2.gz JUHHWUZOKHEPPJ-UHFFFAOYSA-N 0 0 422.470 4.083 20 5 HIBDRN COc1ccccc1NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302167911 854541426 /nfs/dbraw/zinc/54/14/26/854541426.db2.gz SJDUVRAZHZIGCV-UHFFFAOYSA-N 0 0 421.400 4.060 20 5 HIBDRN CCN1CC[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302170894 854541865 /nfs/dbraw/zinc/54/18/65/854541865.db2.gz MBKPJTCCOMOHNO-YLJYHZDGSA-N 0 0 407.392 4.462 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CCC(Oc2cccc(Br)c2)CC1 ZINC000302171995 854542093 /nfs/dbraw/zinc/54/20/93/854542093.db2.gz VBIMUSLCMCCFKN-UHFFFAOYSA-N 0 0 412.671 4.454 20 5 HIBDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)nc1 ZINC000302172984 854542668 /nfs/dbraw/zinc/54/26/68/854542668.db2.gz VRZPFAQYYNHKLE-UHFFFAOYSA-N 0 0 412.381 4.062 20 5 HIBDRN COc1ccc([C@@H](Nc2ncc([N+](=O)[O-])cn2)c2ccccc2)cc1Br ZINC000302180922 854544203 /nfs/dbraw/zinc/54/42/03/854544203.db2.gz ZPOLCXGPWWGWNK-KRWDZBQOSA-N 0 0 415.247 4.357 20 5 HIBDRN Cc1sc2nc(C)nc(Sc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])c2c1C ZINC000302192529 854546860 /nfs/dbraw/zinc/54/68/60/854546860.db2.gz RKNQYVXUFPAXJU-UHFFFAOYSA-N 0 0 415.543 4.141 20 5 HIBDRN O=c1[nH]cnc2cc(NC[C@@H](O)c3ccc(-c4ccccc4)cc3)c([N+](=O)[O-])cc12 ZINC000302208098 854550164 /nfs/dbraw/zinc/55/01/64/854550164.db2.gz XLEFKTWBOVGSLF-OAQYLSRUSA-N 0 0 402.410 4.056 20 5 HIBDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)nc1 ZINC000302215400 854551898 /nfs/dbraw/zinc/55/18/98/854551898.db2.gz IWGIMDRZVOKWGJ-UHFFFAOYSA-N 0 0 414.834 4.089 20 5 HIBDRN O=[N+]([O-])c1cc(F)ccc1Oc1ccc(I)cc1[N+](=O)[O-] ZINC000302468855 854573934 /nfs/dbraw/zinc/57/39/34/854573934.db2.gz PVBHVEDHNCZALN-UHFFFAOYSA-N 0 0 404.091 4.039 20 5 HIBDRN O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000302485902 854575412 /nfs/dbraw/zinc/57/54/12/854575412.db2.gz ZABFWEYXIPHCPP-UHFFFAOYSA-N 0 0 411.355 4.469 20 5 HIBDRN Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000302536313 854581039 /nfs/dbraw/zinc/58/10/39/854581039.db2.gz MFSAUMARIMMHFE-UHFFFAOYSA-N 0 0 409.895 4.266 20 5 HIBDRN Cc1noc(C)c1CO[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000302630720 854594638 /nfs/dbraw/zinc/59/46/38/854594638.db2.gz BYJCLGLYQXDCGB-ZDUSSCGKSA-N 0 0 410.268 4.066 20 5 HIBDRN COC(=O)c1cnc(N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c([N+](=O)[O-])c1 ZINC000302656363 854598765 /nfs/dbraw/zinc/59/87/65/854598765.db2.gz ADBDNCBZQWZMAL-OAHLLOKOSA-N 0 0 423.473 4.091 20 5 HIBDRN Cc1cc(N2CCC(OC[C@H]3CCCCO3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302672923 854601916 /nfs/dbraw/zinc/60/19/16/854601916.db2.gz LFKABRGSXUUGKH-OAHLLOKOSA-N 0 0 413.312 4.220 20 5 HIBDRN C[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000302695334 854605788 /nfs/dbraw/zinc/60/57/88/854605788.db2.gz WDNFFHQKLCJREQ-NSHDSACASA-N 0 0 402.394 4.233 20 5 HIBDRN C[C@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000302701989 854607889 /nfs/dbraw/zinc/60/78/89/854607889.db2.gz XPNJRQHTBVVZPV-VXJOIVPMSA-N 0 0 403.288 4.195 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000302764938 854626164 /nfs/dbraw/zinc/62/61/64/854626164.db2.gz ZVLGTHCPRCIDSU-UHFFFAOYSA-N 0 0 422.363 4.184 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000302839399 854651650 /nfs/dbraw/zinc/65/16/50/854651650.db2.gz WSLGLODLZZBBOD-UHFFFAOYSA-N 0 0 409.461 4.266 20 5 HIBDRN CN(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000302843553 854653562 /nfs/dbraw/zinc/65/35/62/854653562.db2.gz CVYKFETUBVDKHB-UHFFFAOYSA-N 0 0 400.431 4.500 20 5 HIBDRN Cc1c(C(=O)N[C@H](c2ccccc2)C2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000302963317 854698576 /nfs/dbraw/zinc/69/85/76/854698576.db2.gz QPBSZWKJRMFMGY-OAQYLSRUSA-N 0 0 405.458 4.145 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000437330094 862598845 /nfs/dbraw/zinc/59/88/45/862598845.db2.gz BYYIWWLZDMWAEO-DZGCQCFKSA-N 0 0 414.767 4.475 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000303100560 854760132 /nfs/dbraw/zinc/76/01/32/854760132.db2.gz HMBLBFKNDOUSCJ-NRFANRHFSA-N 0 0 421.522 4.494 20 5 HIBDRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000303103256 854762317 /nfs/dbraw/zinc/76/23/17/854762317.db2.gz IPJAMRNRIBQOBE-UHFFFAOYSA-N 0 0 401.850 4.435 20 5 HIBDRN Cc1nn(CCC(=O)Nc2c(C)cc(Br)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000303134514 854777719 /nfs/dbraw/zinc/77/77/19/854777719.db2.gz KZKYPRXLKDGULT-UHFFFAOYSA-N 0 0 415.675 4.161 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1Cc2ccccc2-c2ccccc2C1 ZINC000303180216 854803748 /nfs/dbraw/zinc/80/37/48/854803748.db2.gz SRMPUGHLKNDBQO-UHFFFAOYSA-N 0 0 403.438 4.225 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)cc1[N+](=O)[O-] ZINC000303371370 854896723 /nfs/dbraw/zinc/89/67/23/854896723.db2.gz KBLHPNIRXDTMMZ-UHFFFAOYSA-N 0 0 405.410 4.243 20 5 HIBDRN CCOc1ccc(-c2noc(CSCCOc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000303372986 854897042 /nfs/dbraw/zinc/89/70/42/854897042.db2.gz KNZNDRLXUNTWGI-UHFFFAOYSA-N 0 0 401.444 4.356 20 5 HIBDRN CCc1ccc(-c2csc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)n2)cc1 ZINC000303375591 854898124 /nfs/dbraw/zinc/89/81/24/854898124.db2.gz KOCQFECRXMEZOV-UHFFFAOYSA-N 0 0 420.454 4.114 20 5 HIBDRN O=C1[C@H](Oc2ccc(Cl)cc2Br)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303382476 854901969 /nfs/dbraw/zinc/90/19/69/854901969.db2.gz LXPATUVMFVVVNI-OAHLLOKOSA-N 0 0 411.639 4.195 20 5 HIBDRN O=C(NCC1(Sc2ccccc2)CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000303419916 854922268 /nfs/dbraw/zinc/92/22/68/854922268.db2.gz UKTWEDQYXGWZGN-UHFFFAOYSA-N 0 0 423.498 4.010 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000303422019 854923771 /nfs/dbraw/zinc/92/37/71/854923771.db2.gz AVLFQIBDJJFMEM-UHFFFAOYSA-N 0 0 421.906 4.461 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N[C@@H]2CCN(c3ccccc3F)C2=O)c([N+](=O)[O-])c1 ZINC000303526571 855013742 /nfs/dbraw/zinc/01/37/42/855013742.db2.gz QLHXHQSDTMLURQ-LJQANCHMSA-N 0 0 419.412 4.182 20 5 HIBDRN CCCCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000303527478 855014705 /nfs/dbraw/zinc/01/47/05/855014705.db2.gz VZTKIOYIXCPFAJ-MRXNPFEDSA-N 0 0 401.488 4.242 20 5 HIBDRN CCOc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC ZINC000303560343 855039886 /nfs/dbraw/zinc/03/98/86/855039886.db2.gz XAHXTYQQZFZNLC-ZIAGYGMSSA-N 0 0 406.385 4.413 20 5 HIBDRN Cc1c(C(=O)N(C)c2cc(Cl)cc(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000303576507 855051792 /nfs/dbraw/zinc/05/17/92/855051792.db2.gz LXKLOCXYNDEQNV-UHFFFAOYSA-N 0 0 406.229 4.067 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)c3cccc(C)n3)cc2[N+](=O)[O-])n1 ZINC000303657095 855110590 /nfs/dbraw/zinc/11/05/90/855110590.db2.gz CPWJRLJVBDCTKP-UHFFFAOYSA-N 0 0 400.485 4.491 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000303722901 855151712 /nfs/dbraw/zinc/15/17/12/855151712.db2.gz SCPZOBZUGRFWOF-QGZVFWFLSA-N 0 0 423.429 4.413 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c1 ZINC000303731009 855157549 /nfs/dbraw/zinc/15/75/49/855157549.db2.gz VGOKMAAYONBLHP-UHFFFAOYSA-N 0 0 417.830 4.411 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCOc4cc(F)ccc43)cc2[N+](=O)[O-])C1 ZINC000303732661 855158439 /nfs/dbraw/zinc/15/84/39/855158439.db2.gz VRGVNIUMRQMAKD-HUUCEWRRSA-N 0 0 413.449 4.255 20 5 HIBDRN Cc1c2ccccc2sc1C(=O)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000303815415 855217890 /nfs/dbraw/zinc/21/78/90/855217890.db2.gz DLVXNGUEIAGPHU-UHFFFAOYSA-N 0 0 409.511 4.118 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000303859515 855254983 /nfs/dbraw/zinc/25/49/83/855254983.db2.gz GFWJKWCNTNBRTN-KSSFIOAISA-N 0 0 402.422 4.037 20 5 HIBDRN CC(C)C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000303878205 855265664 /nfs/dbraw/zinc/26/56/64/855265664.db2.gz NRKLVVDNHRJSCR-QGZVFWFLSA-N 0 0 413.865 4.346 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)OCCO2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437370313 862666978 /nfs/dbraw/zinc/66/69/78/862666978.db2.gz GMJIZPYMWWWZLM-UHFFFAOYSA-N 0 0 403.822 4.216 20 5 HIBDRN CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000303920236 855292035 /nfs/dbraw/zinc/29/20/35/855292035.db2.gz VRKYBXMYEVBUQX-ROUUACIJSA-N 0 0 400.479 4.061 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1Cl ZINC000303931826 855300307 /nfs/dbraw/zinc/30/03/07/855300307.db2.gz VOCXIWAAXFCOJD-HXUWFJFHSA-N 0 0 411.845 4.480 20 5 HIBDRN CCOc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c([N+](=O)[O-])cc1OCC ZINC000303938726 855305053 /nfs/dbraw/zinc/30/50/53/855305053.db2.gz WWMWTUITHBFLKB-OLZOCXBDSA-N 0 0 406.385 4.413 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000437368832 862664280 /nfs/dbraw/zinc/66/42/80/862664280.db2.gz LBVJODBIMPNQMQ-SMDDNHRTSA-N 0 0 411.241 4.205 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)c1 ZINC000303966612 855327761 /nfs/dbraw/zinc/32/77/61/855327761.db2.gz DCAIAINREJKUFA-UHFFFAOYSA-N 0 0 416.499 4.403 20 5 HIBDRN COC(=O)c1cc2cc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc2o1 ZINC000437370065 862666309 /nfs/dbraw/zinc/66/63/09/862666309.db2.gz GDEPZPSPVIZCAN-UHFFFAOYSA-N 0 0 409.398 4.324 20 5 HIBDRN CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000304062862 855347617 /nfs/dbraw/zinc/34/76/17/855347617.db2.gz RWEZUFTXHRZBCE-UHFFFAOYSA-N 0 0 411.227 4.038 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000304084966 855351615 /nfs/dbraw/zinc/35/16/15/855351615.db2.gz WIXZFKRAKOFDSI-GUXCAODWSA-N 0 0 400.500 4.372 20 5 HIBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(Br)n1 ZINC000312566882 855373113 /nfs/dbraw/zinc/37/31/13/855373113.db2.gz UHZFQTVRBIKGBJ-UHFFFAOYSA-N 0 0 402.042 4.402 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(Cl)c1Br ZINC000319121640 855385439 /nfs/dbraw/zinc/38/54/39/855385439.db2.gz DQLYZSYHOLFHIU-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cc(F)c(Cl)cc2Br)n1 ZINC000323107684 855394521 /nfs/dbraw/zinc/39/45/21/855394521.db2.gz DQXFXRXEGZZWHT-UHFFFAOYSA-N 0 0 405.563 4.124 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br ZINC000323128159 855394534 /nfs/dbraw/zinc/39/45/34/855394534.db2.gz WDGJKDCWRCYLRP-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN Nc1c(C(=O)Nc2cc(F)c(Br)c(Cl)c2)cc(F)cc1[N+](=O)[O-] ZINC000323731501 855396634 /nfs/dbraw/zinc/39/66/34/855396634.db2.gz NJYRYUHNFCZDRL-UHFFFAOYSA-N 0 0 406.570 4.123 20 5 HIBDRN COc1cc(C(=O)Nc2cccc3cc(Br)cnc32)ccc1[N+](=O)[O-] ZINC000327992966 855421976 /nfs/dbraw/zinc/42/19/76/855421976.db2.gz SHULYUSTTBOHNS-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN CC(C)(C)OC(=O)N1CCC(CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000384469193 855440510 /nfs/dbraw/zinc/44/05/10/855440510.db2.gz WWSYAYJJYJXQPH-UHFFFAOYSA-N 0 0 414.300 4.416 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc2nccnc2c1Br)c1cccc([N+](=O)[O-])c1 ZINC000392975384 855467077 /nfs/dbraw/zinc/46/70/77/855467077.db2.gz CLKVRBKBZRQEPU-SNVBAGLBSA-N 0 0 401.220 4.043 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nnc(C(F)F)s2)cc1 ZINC000409465760 855493747 /nfs/dbraw/zinc/49/37/47/855493747.db2.gz WYJHZPLNMNGUMO-UHFFFAOYSA-N 0 0 422.369 4.437 20 5 HIBDRN C[C@H](NC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000409478066 855501474 /nfs/dbraw/zinc/50/14/74/855501474.db2.gz ZDIFCTCYBHCJLA-OPURJYLOSA-N 0 0 415.287 4.439 20 5 HIBDRN CC[C@H](NS(=O)(=O)c1cccc(-c2nc(C)cs2)c1)c1cccc([N+](=O)[O-])c1 ZINC000409498920 855510294 /nfs/dbraw/zinc/51/02/94/855510294.db2.gz JNSHYEKLCIGDJC-SFHVURJKSA-N 0 0 417.512 4.456 20 5 HIBDRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000409544307 855534909 /nfs/dbraw/zinc/53/49/09/855534909.db2.gz JVPXAJWBMBFSRB-ISVAXAHUSA-N 0 0 417.256 4.064 20 5 HIBDRN CCC[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000409564191 855543478 /nfs/dbraw/zinc/54/34/78/855543478.db2.gz XBCTVMCXZASLQK-QGZVFWFLSA-N 0 0 403.479 4.148 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1nnc(SCc2ccccc2)s1 ZINC000409597676 855559014 /nfs/dbraw/zinc/55/90/14/855559014.db2.gz FQQBXHLPBQVOHI-UHFFFAOYSA-N 0 0 418.525 4.469 20 5 HIBDRN COCCNc1ccc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000409652381 855584250 /nfs/dbraw/zinc/58/42/50/855584250.db2.gz MUJUTSIUSAEBAC-UHFFFAOYSA-N 0 0 420.469 4.327 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1 ZINC000409701961 855610117 /nfs/dbraw/zinc/61/01/17/855610117.db2.gz RLKREQFKBGQZAP-SNVBAGLBSA-N 0 0 411.199 4.082 20 5 HIBDRN O=C([C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000409799293 855659211 /nfs/dbraw/zinc/65/92/11/855659211.db2.gz PZGYFCQRTYZGEF-APWZRJJASA-N 0 0 404.825 4.050 20 5 HIBDRN Cn1c2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2nc1C(F)F ZINC000409853558 855689172 /nfs/dbraw/zinc/68/91/72/855689172.db2.gz BYODJMLSRGECBK-UHFFFAOYSA-N 0 0 400.385 4.224 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCOc4c(F)cccc43)cc2[N+](=O)[O-])C1 ZINC000409855207 855690104 /nfs/dbraw/zinc/69/01/04/855690104.db2.gz MHARVVDGSZFHIF-KDOFPFPSSA-N 0 0 413.449 4.224 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000409944171 855738168 /nfs/dbraw/zinc/73/81/68/855738168.db2.gz XNGWHDVRZMPJGQ-UHFFFAOYSA-N 0 0 417.512 4.382 20 5 HIBDRN O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000409984521 855763149 /nfs/dbraw/zinc/76/31/49/855763149.db2.gz LBDKVYCOVSWOCR-MRXNPFEDSA-N 0 0 418.453 4.483 20 5 HIBDRN COc1cc(F)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1OC ZINC000409998574 855770461 /nfs/dbraw/zinc/77/04/61/855770461.db2.gz OXFUEIKJTWWVMS-UHFFFAOYSA-N 0 0 417.437 4.240 20 5 HIBDRN CC(C)(NC(=O)Cc1c(F)ccc(Br)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000410007075 855776205 /nfs/dbraw/zinc/77/62/05/855776205.db2.gz NLGIYJLSQQMXLL-UHFFFAOYSA-N 0 0 413.218 4.230 20 5 HIBDRN COc1ccc(-n2ccnc2SCCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000410033435 855788743 /nfs/dbraw/zinc/78/87/43/855788743.db2.gz NWNNELBDNXCSEC-UHFFFAOYSA-N 0 0 412.471 4.218 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000410052253 855801464 /nfs/dbraw/zinc/80/14/64/855801464.db2.gz IRNJVWXLQGZLKX-ZDUSSCGKSA-N 0 0 403.870 4.193 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCOc2c(Br)cccc21 ZINC000410054305 855803074 /nfs/dbraw/zinc/80/30/74/855803074.db2.gz ZCQPBBQZUJAEBC-CYBMUJFWSA-N 0 0 410.199 4.142 20 5 HIBDRN CCCc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C(C)C)cc1 ZINC000410095827 855817088 /nfs/dbraw/zinc/81/70/88/855817088.db2.gz SZWTURPVAIBPJG-FQEVSTJZSA-N 0 0 418.515 4.078 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000410212760 855864298 /nfs/dbraw/zinc/86/42/98/855864298.db2.gz ZMOAYHZBJADONZ-ZDUSSCGKSA-N 0 0 414.849 4.363 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000410230769 855872711 /nfs/dbraw/zinc/87/27/11/855872711.db2.gz RDKYSUOVXOJVNV-UHFFFAOYSA-N 0 0 404.463 4.183 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCC[C@H](C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000410242294 855877506 /nfs/dbraw/zinc/87/75/06/855877506.db2.gz TWJRIEQNZIUWIM-INIZCTEOSA-N 0 0 406.486 4.380 20 5 HIBDRN C[C@H](C(=O)N[C@H]1CCOc2c(Br)cccc21)c1ccc([N+](=O)[O-])cc1F ZINC000410263497 855888636 /nfs/dbraw/zinc/88/86/36/855888636.db2.gz HPNHRNPFCMCSNP-QFYYESIMSA-N 0 0 423.238 4.240 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000410264460 855889649 /nfs/dbraw/zinc/88/96/49/855889649.db2.gz HDCRQLHYKHIBLS-CQSZACIVSA-N 0 0 423.288 4.333 20 5 HIBDRN Cc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000410286465 855904158 /nfs/dbraw/zinc/90/41/58/855904158.db2.gz GUZCGLIEEPCHLO-UHFFFAOYSA-N 0 0 404.426 4.477 20 5 HIBDRN CCOc1cc(C(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000410372141 855957779 /nfs/dbraw/zinc/95/77/79/855957779.db2.gz UPHLLLMYTSVJDV-YUNKPMOVSA-N 0 0 404.850 4.321 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(c2ccc(Br)cc2)CC1 ZINC000410385723 855966155 /nfs/dbraw/zinc/96/61/55/855966155.db2.gz CJTFMLOJZDVNPS-UHFFFAOYSA-N 0 0 403.276 4.306 20 5 HIBDRN COc1ccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] ZINC000410389686 855968421 /nfs/dbraw/zinc/96/84/21/855968421.db2.gz OKNWQCUXGCWTBS-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000410409488 855981633 /nfs/dbraw/zinc/98/16/33/855981633.db2.gz XJKAMAZJWVXAQS-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000410412591 855982306 /nfs/dbraw/zinc/98/23/06/855982306.db2.gz DFTSXAPHMAMNEK-UHFFFAOYSA-N 0 0 420.878 4.066 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3ccc(Cl)cc3n2)cc1OC ZINC000410421962 855990244 /nfs/dbraw/zinc/99/02/44/855990244.db2.gz UFRKYRUEPFBXSW-UHFFFAOYSA-N 0 0 401.806 4.456 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc3ccc(Cl)cc3n2)c([N+](=O)[O-])cc1OC ZINC000410426416 855992330 /nfs/dbraw/zinc/99/23/30/855992330.db2.gz HWYLALUQJUZYMN-UHFFFAOYSA-N 0 0 401.806 4.456 20 5 HIBDRN CC1(c2ccccc2)CCC(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000425939396 856010080 /nfs/dbraw/zinc/01/00/80/856010080.db2.gz SXCDSLAIYIZAAW-UHFFFAOYSA-N 0 0 411.506 4.038 20 5 HIBDRN Cc1cccc2c(CCNC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c[nH]c21 ZINC000426025792 856054535 /nfs/dbraw/zinc/05/45/35/856054535.db2.gz YDOPCNBHINYGEZ-UHFFFAOYSA-N 0 0 420.391 4.445 20 5 HIBDRN Cc1c(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)cccc1[N+](=O)[O-] ZINC000426028284 856055554 /nfs/dbraw/zinc/05/55/54/856055554.db2.gz LKELOTDHEBMFEB-UHFFFAOYSA-N 0 0 402.204 4.172 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000426040236 856065577 /nfs/dbraw/zinc/06/55/77/856065577.db2.gz TZXBZIQYWYUZMA-ZJUUUORDSA-N 0 0 402.398 4.500 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000426040233 856065759 /nfs/dbraw/zinc/06/57/59/856065759.db2.gz TZXBZIQYWYUZMA-NXEZZACHSA-N 0 0 402.398 4.500 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426050618 856074421 /nfs/dbraw/zinc/07/44/21/856074421.db2.gz LURUPDISRBALMT-NHCUHLMSSA-N 0 0 413.449 4.328 20 5 HIBDRN O=C(NCCSCc1ccccc1F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426056507 856077663 /nfs/dbraw/zinc/07/76/63/856077663.db2.gz BACSEAWRBQYXGU-UHFFFAOYSA-N 0 0 403.479 4.341 20 5 HIBDRN COc1ccc2c(c1)CCN2C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426086196 856098097 /nfs/dbraw/zinc/09/80/97/856098097.db2.gz RLEMZAJQGXLAIJ-UHFFFAOYSA-N 0 0 404.422 4.385 20 5 HIBDRN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426183803 856161081 /nfs/dbraw/zinc/16/10/81/856161081.db2.gz QMCMFCWOAZALSE-CVEARBPZSA-N 0 0 403.401 4.007 20 5 HIBDRN CC(C)c1nn(C)cc1-c1noc(-c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000426210807 856178637 /nfs/dbraw/zinc/17/86/37/856178637.db2.gz OLLAPHAWIPCOMI-AWEZNQCLSA-N 0 0 410.478 4.405 20 5 HIBDRN C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](c2ccccc2)O1 ZINC000426253617 856203523 /nfs/dbraw/zinc/20/35/23/856203523.db2.gz ARHSCRPQMGCNBJ-FZKQIMNGSA-N 0 0 423.391 4.285 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000426258101 856206258 /nfs/dbraw/zinc/20/62/58/856206258.db2.gz SMLAHPBJGUZYKK-QGZVFWFLSA-N 0 0 422.407 4.400 20 5 HIBDRN COc1ccccc1CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000426265717 856210124 /nfs/dbraw/zinc/21/01/24/856210124.db2.gz HPJIFFWSFQMMIQ-UHFFFAOYSA-N 0 0 423.391 4.496 20 5 HIBDRN COc1ccc([C@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)cc1 ZINC000426270416 856212272 /nfs/dbraw/zinc/21/22/72/856212272.db2.gz WTAHYPGGRNGHOG-HNNXBMFYSA-N 0 0 423.391 4.321 20 5 HIBDRN CC(C)N(CCc1nccs1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426281588 856218351 /nfs/dbraw/zinc/21/83/51/856218351.db2.gz ZFEXPIQGMFKZSU-UHFFFAOYSA-N 0 0 416.425 4.233 20 5 HIBDRN O=C(NCCc1ccccc1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426281806 856218518 /nfs/dbraw/zinc/21/85/18/856218518.db2.gz OSDCGUWXHKIUJR-UHFFFAOYSA-N 0 0 418.291 4.274 20 5 HIBDRN Cc1nn(C)c(C(=O)Nc2ccc(Cl)cc2Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000426380018 856267175 /nfs/dbraw/zinc/26/71/75/856267175.db2.gz KNRXAAFUNUTYDX-UHFFFAOYSA-N 0 0 403.801 4.425 20 5 HIBDRN Cc1nc([C@H]2CCCOC2)sc1-c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000426408430 856277884 /nfs/dbraw/zinc/27/78/84/856277884.db2.gz APHQLVDKBSGOLN-AWEZNQCLSA-N 0 0 400.460 4.203 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000426419437 856281242 /nfs/dbraw/zinc/28/12/42/856281242.db2.gz JDOYVJGMYOYOIZ-KRWDZBQOSA-N 0 0 422.254 4.471 20 5 HIBDRN NC(=O)CCN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000426460780 856302868 /nfs/dbraw/zinc/30/28/68/856302868.db2.gz OEDHTCZPAFZVGK-UHFFFAOYSA-N 0 0 421.478 4.268 20 5 HIBDRN O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426471550 856309971 /nfs/dbraw/zinc/30/99/71/856309971.db2.gz WEWLFZIICXERDT-SFHVURJKSA-N 0 0 412.465 4.077 20 5 HIBDRN CCOc1ccc(NC(=O)CSCc2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000426559004 856347344 /nfs/dbraw/zinc/34/73/44/856347344.db2.gz IDIVUGJEZOHCQM-UHFFFAOYSA-N 0 0 412.414 4.467 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+]C[C@@]3(CC(=O)[O-])CC[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000426630906 856382723 /nfs/dbraw/zinc/38/27/23/856382723.db2.gz WERQNRXLRUACOC-QKKBWIMNSA-N 0 0 402.447 4.234 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+]C[C@@H](Cc3cccc(C)c3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426638256 856387427 /nfs/dbraw/zinc/38/74/27/856387427.db2.gz ILWOUDJYWLUSKZ-QGZVFWFLSA-N 0 0 424.453 4.205 20 5 HIBDRN O=C([O-])[C@H](CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000426639145 856388440 /nfs/dbraw/zinc/38/84/40/856388440.db2.gz LUIFERSFSSNZTJ-QGZVFWFLSA-N 0 0 411.483 4.142 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+]C[C@H](Cc3ccccc3C)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426659337 856398078 /nfs/dbraw/zinc/39/80/78/856398078.db2.gz DPACERXAODXKIM-KRWDZBQOSA-N 0 0 424.453 4.205 20 5 HIBDRN COC(=O)c1c(F)ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1C ZINC000426694090 856416421 /nfs/dbraw/zinc/41/64/21/856416421.db2.gz HBJJMDOZFGENSL-UHFFFAOYSA-N 0 0 404.397 4.168 20 5 HIBDRN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000426700384 856419282 /nfs/dbraw/zinc/41/92/82/856419282.db2.gz QLEJRTHSUOCZGP-IBGZPJMESA-N 0 0 410.401 4.312 20 5 HIBDRN C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C(=O)N3C[C@H](C)CC[C@@H]3C)c([N+](=O)[O-])c2)C1 ZINC000426706381 856423624 /nfs/dbraw/zinc/42/36/24/856423624.db2.gz SINGGKMQKLUNLX-NCOADZHNSA-N 0 0 401.507 4.116 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+][C@@H](c3ccccc3)[C@H](C)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426717295 856430990 /nfs/dbraw/zinc/43/09/90/856430990.db2.gz OHPSXCKRPKXMQV-LHSJRXKWSA-N 0 0 410.426 4.415 20 5 HIBDRN O=C([O-])CC[C@@H](Cc1ccccc1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426726018 856436768 /nfs/dbraw/zinc/43/67/68/856436768.db2.gz GNFITKNDMHNBSS-KRWDZBQOSA-N 0 0 411.483 4.284 20 5 HIBDRN O=C([O-])[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426747225 856451113 /nfs/dbraw/zinc/45/11/13/856451113.db2.gz NTVPUTGZZVOFKU-SFHVURJKSA-N 0 0 418.808 4.433 20 5 HIBDRN Cc1ccc(NC(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000437425789 862801326 /nfs/dbraw/zinc/80/13/26/862801326.db2.gz ZBLUWVITPCLUMM-IIBYNOLFSA-N 0 0 413.474 4.350 20 5 HIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000426798502 856484893 /nfs/dbraw/zinc/48/48/93/856484893.db2.gz JCFLFWJGFGZQNX-HNNXBMFYSA-N 0 0 402.756 4.053 20 5 HIBDRN O=C(NCCc1c[nH]c2cccc(Br)c12)c1c(Cl)cccc1[N+](=O)[O-] ZINC000426832342 856504554 /nfs/dbraw/zinc/50/45/54/856504554.db2.gz IXVLECDEJHLTHK-UHFFFAOYSA-N 0 0 422.666 4.465 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](c1ccco1)c1ccccc1 ZINC000426879229 856524305 /nfs/dbraw/zinc/52/43/05/856524305.db2.gz PUMLNRDFEBGIAH-LJQANCHMSA-N 0 0 415.243 4.399 20 5 HIBDRN O=C(Nc1cc(C2CCCC2)[nH]n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426883357 856526022 /nfs/dbraw/zinc/52/60/22/856526022.db2.gz SEQGWSSQNZPGJG-UHFFFAOYSA-N 0 0 406.442 4.807 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000427110177 856643555 /nfs/dbraw/zinc/64/35/55/856643555.db2.gz KDRSUEUNFIKRBY-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3OC)n2)cc1F ZINC000427111141 856644532 /nfs/dbraw/zinc/64/45/32/856644532.db2.gz PVCBARTUNKFCFU-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000427117807 856649207 /nfs/dbraw/zinc/64/92/07/856649207.db2.gz PPGLDHWFDCIYTI-UHFFFAOYSA-N 0 0 421.240 4.407 20 5 HIBDRN COC(=O)c1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1Br ZINC000427154449 856674848 /nfs/dbraw/zinc/67/48/48/856674848.db2.gz HMFLABLWLMHQIN-UHFFFAOYSA-N 0 0 421.247 4.060 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000427154711 856674911 /nfs/dbraw/zinc/67/49/11/856674911.db2.gz JGOIPMAIDHVFFC-UHFFFAOYSA-N 0 0 421.787 4.460 20 5 HIBDRN Cn1cc(C(=O)Nc2cccc(Oc3ccccn3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437460857 862823694 /nfs/dbraw/zinc/82/36/94/862823694.db2.gz ONCMWNHRGZXUJS-UHFFFAOYSA-N 0 0 415.409 4.435 20 5 HIBDRN O=c1c(C(F)(F)F)nc2ccc(C(F)(F)F)cc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000427262716 856742438 /nfs/dbraw/zinc/74/24/38/856742438.db2.gz LQRQLTYUHHMILZ-UHFFFAOYSA-N 0 0 417.265 4.391 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000427263928 856743464 /nfs/dbraw/zinc/74/34/64/856743464.db2.gz YKDAUOHRNLIZKJ-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3ccc(Cl)cc3C)s2)n1 ZINC000427270418 856745594 /nfs/dbraw/zinc/74/55/94/856745594.db2.gz UINUADBMKVXRLN-UHFFFAOYSA-N 0 0 405.867 4.073 20 5 HIBDRN COC(=O)c1ncccc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000427311501 856764288 /nfs/dbraw/zinc/76/42/88/856764288.db2.gz CLYIHUYLPAEBBZ-UHFFFAOYSA-N 0 0 409.423 4.180 20 5 HIBDRN CC[C@@H](CN(C)C(=O)c1nn(CC)cc1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000427328623 856774968 /nfs/dbraw/zinc/77/49/68/856774968.db2.gz DCBKFDNBUMBPTQ-NSHDSACASA-N 0 0 415.277 4.048 20 5 HIBDRN CCCOc1ccc(CN(Cc2ccccc2)C(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000427358593 856792018 /nfs/dbraw/zinc/79/20/18/856792018.db2.gz JIBPKRALNCAHAK-UHFFFAOYSA-N 0 0 422.485 4.443 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3ccn(Cc4cccc(OC)c4)c3c2)n1 ZINC000427368459 856797563 /nfs/dbraw/zinc/79/75/63/856797563.db2.gz ACAHLZVBNTXGDO-UHFFFAOYSA-N 0 0 419.441 4.075 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000427376146 856800823 /nfs/dbraw/zinc/80/08/23/856800823.db2.gz QAJPOFLUOYZQGX-INIZCTEOSA-N 0 0 400.822 4.110 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](Cc2cc(C)cc(C)c2)c2cccc(OC)c2)n1 ZINC000427386630 856803297 /nfs/dbraw/zinc/80/32/97/856803297.db2.gz JBFQULSBXDEHIA-HXUWFJFHSA-N 0 0 422.485 4.150 20 5 HIBDRN COc1cc(C(=O)N[C@@](C)(CO)C(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427388992 856803362 /nfs/dbraw/zinc/80/33/62/856803362.db2.gz FFLHBUANVIWAFG-FQEVSTJZSA-N 0 0 422.865 4.186 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)c2ccccc2OC)cc1 ZINC000427391242 856804201 /nfs/dbraw/zinc/80/42/01/856804201.db2.gz MYHPZDSVFWWKQU-JOCHJYFZSA-N 0 0 422.437 4.140 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000427391964 856804240 /nfs/dbraw/zinc/80/42/40/856804240.db2.gz SWMZQALSFQTRLE-UHFFFAOYSA-N 0 0 403.438 4.470 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)cccc1[N+](=O)[O-] ZINC000427428429 856815618 /nfs/dbraw/zinc/81/56/18/856815618.db2.gz NQTSVRAMWBIXIR-OAQYLSRUSA-N 0 0 415.449 4.312 20 5 HIBDRN CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000427432466 856817552 /nfs/dbraw/zinc/81/75/52/856817552.db2.gz UUBGYICBUUCRQO-QGZVFWFLSA-N 0 0 401.850 4.114 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)cc1[N+](=O)[O-] ZINC000427456824 856829074 /nfs/dbraw/zinc/82/90/74/856829074.db2.gz BTVNYUQBHXLFSR-UHFFFAOYSA-N 0 0 424.457 4.122 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427465408 856833012 /nfs/dbraw/zinc/83/30/12/856833012.db2.gz HLAOGNLJXLIPGS-SFHVURJKSA-N 0 0 400.797 4.039 20 5 HIBDRN O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1Br ZINC000427536706 856854160 /nfs/dbraw/zinc/85/41/60/856854160.db2.gz KKVWYIIFHJGQKK-QZTJIDSGSA-N 0 0 419.275 4.225 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000427594633 856881235 /nfs/dbraw/zinc/88/12/35/856881235.db2.gz AITIATORPYXMQG-UHFFFAOYSA-N 0 0 403.438 4.227 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)n1 ZINC000427599185 856883251 /nfs/dbraw/zinc/88/32/51/856883251.db2.gz MYSXYAIRGDAHKJ-UHFFFAOYSA-N 0 0 421.335 4.270 20 5 HIBDRN O=C(Nc1cccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1)c1cccnc1 ZINC000427605277 856885253 /nfs/dbraw/zinc/88/52/53/856885253.db2.gz XWQPNZGTLXSNOD-UHFFFAOYSA-N 0 0 416.437 4.047 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2cccs2)C23CC4CC(CC(C4)C2)C3)n1 ZINC000427610502 856887012 /nfs/dbraw/zinc/88/70/12/856887012.db2.gz VBQCTUBMEOBWNI-UHFFFAOYSA-N 0 0 414.531 4.484 20 5 HIBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCC[C@H]1CO ZINC000427645740 856895629 /nfs/dbraw/zinc/89/56/29/856895629.db2.gz FOZXIOLESZJWKX-QIPRVMPFSA-N 0 0 423.494 4.119 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)n1 ZINC000427712940 856919087 /nfs/dbraw/zinc/91/90/87/856919087.db2.gz OIQLDAFWGNZQEG-KNQAVFIVSA-N 0 0 420.469 4.191 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000427736121 856929962 /nfs/dbraw/zinc/92/99/62/856929962.db2.gz VHSZSCDEZRLFBI-OAHLLOKOSA-N 0 0 418.490 4.422 20 5 HIBDRN C[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000427822450 856971244 /nfs/dbraw/zinc/97/12/44/856971244.db2.gz QSUCIONHLDGBOB-TZMCWYRMSA-N 0 0 406.891 4.242 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000427831262 856974267 /nfs/dbraw/zinc/97/42/67/856974267.db2.gz XBUNKGCJPSENRB-UHFFFAOYSA-N 0 0 415.833 4.418 20 5 HIBDRN CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427908656 857002451 /nfs/dbraw/zinc/00/24/51/857002451.db2.gz NWNGNZZLFBXSFI-KRWDZBQOSA-N 0 0 411.483 4.132 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCS1 ZINC000427913448 857004460 /nfs/dbraw/zinc/00/44/60/857004460.db2.gz JAKFHMZFZBXQKJ-SNVBAGLBSA-N 0 0 415.302 4.055 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CCSc2ccc(F)cc21 ZINC000427924318 857009491 /nfs/dbraw/zinc/00/94/91/857009491.db2.gz JKGKJTNDHIGDAE-OAHLLOKOSA-N 0 0 413.430 4.014 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1ccccc1OC1CCCC1 ZINC000427927569 857010901 /nfs/dbraw/zinc/01/09/01/857010901.db2.gz ZWHUMZMYHWWOSA-UHFFFAOYSA-N 0 0 421.453 4.160 20 5 HIBDRN COCCN1C(=O)CCc2cc(N[C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])ccc21 ZINC000427967237 857026381 /nfs/dbraw/zinc/02/63/81/857026381.db2.gz UDNFOARLCWIDGF-DYESRHJHSA-N 0 0 423.513 4.344 20 5 HIBDRN Cc1cccc2c1OC[C@@H](NC(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)C2 ZINC000427968505 857027179 /nfs/dbraw/zinc/02/71/79/857027179.db2.gz GHNQKTBTGKBFFI-INIZCTEOSA-N 0 0 420.415 4.001 20 5 HIBDRN O=C(N[C@@H](CO)C1CCCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000427974621 857028502 /nfs/dbraw/zinc/02/85/02/857028502.db2.gz QKRODOHLNYUSES-KRWDZBQOSA-N 0 0 404.850 4.321 20 5 HIBDRN CCOc1cc(Br)c(F)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000427978927 857030479 /nfs/dbraw/zinc/03/04/79/857030479.db2.gz FUYXZJKEFZDOCI-UHFFFAOYSA-N 0 0 423.198 4.024 20 5 HIBDRN CCc1nc(C)c([C@H](C)N(C)C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)s1 ZINC000428028838 857047862 /nfs/dbraw/zinc/04/78/62/857047862.db2.gz BEFWWMRANLYUPP-ZDUSSCGKSA-N 0 0 414.487 4.069 20 5 HIBDRN CC(C)c1ccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(CO)c2)C(C)C)cc1 ZINC000428074210 857064249 /nfs/dbraw/zinc/06/42/49/857064249.db2.gz YZMNRKQEPUJLRL-QFIPXVFZSA-N 0 0 400.475 4.103 20 5 HIBDRN COc1cccc2c1CCN(C(=O)c1cccc3c(=O)c4cccc(F)c4[nH]c13)CC2 ZINC000428096130 857070930 /nfs/dbraw/zinc/07/09/30/857070930.db2.gz XEIVMRAFKZVIPN-UHFFFAOYSA-N 0 0 416.452 4.070 20 5 HIBDRN O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000428211624 857112731 /nfs/dbraw/zinc/11/27/31/857112731.db2.gz WEELQZAIPMUZSU-UHFFFAOYSA-N 0 0 417.303 4.397 20 5 HIBDRN O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000428266055 857133331 /nfs/dbraw/zinc/13/33/31/857133331.db2.gz BLCPJQNOSJOWPQ-INIZCTEOSA-N 0 0 420.444 4.052 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)c1[N+](=O)[O-] ZINC000428302106 857146557 /nfs/dbraw/zinc/14/65/57/857146557.db2.gz FEKBHOPUJHVTNK-UHFFFAOYSA-N 0 0 422.367 4.113 20 5 HIBDRN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)C2)cc1 ZINC000428315927 857150009 /nfs/dbraw/zinc/15/00/09/857150009.db2.gz QCKXDIBGUCJGCJ-DOTOQJQBSA-N 0 0 400.500 4.006 20 5 HIBDRN CC(C)(O)CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000428349159 857166686 /nfs/dbraw/zinc/16/66/86/857166686.db2.gz QRTXSJXRDSIEBK-UHFFFAOYSA-N 0 0 417.893 4.236 20 5 HIBDRN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cc4ccccc4c4cccnc34)n2)c1 ZINC000428360302 857172070 /nfs/dbraw/zinc/17/20/70/857172070.db2.gz COIHTKMGRLDLHT-OAHLLOKOSA-N 0 0 408.465 4.368 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000428362977 857173526 /nfs/dbraw/zinc/17/35/26/857173526.db2.gz XRGSZPMPCZNOHT-YMTOWFKASA-N 0 0 414.293 4.011 20 5 HIBDRN CS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1Cl ZINC000428656736 857291249 /nfs/dbraw/zinc/29/12/49/857291249.db2.gz KIZLNVSMKACBSQ-UHFFFAOYSA-N 0 0 408.785 4.283 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccc(Br)cc2)c2ccncc21 ZINC000428664408 857293065 /nfs/dbraw/zinc/29/30/65/857293065.db2.gz BULPIDPNHGPQOG-AWEZNQCLSA-N 0 0 416.275 4.169 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc(N3CCCC3=O)c(F)c2)cc1[N+](=O)[O-] ZINC000428891846 857395080 /nfs/dbraw/zinc/39/50/80/857395080.db2.gz YTIABVVNMBXAAW-ZDUSSCGKSA-N 0 0 400.410 4.052 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000428895425 857397724 /nfs/dbraw/zinc/39/77/24/857397724.db2.gz PHXLNLXANOZARM-RHSMWYFYSA-N 0 0 417.437 4.483 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)cc1[N+](=O)[O-] ZINC000429066064 857489817 /nfs/dbraw/zinc/48/98/17/857489817.db2.gz UENKJFQZSJBKNK-MRXNPFEDSA-N 0 0 410.474 4.330 20 5 HIBDRN CC(C)(NCCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000429256560 857578801 /nfs/dbraw/zinc/57/88/01/857578801.db2.gz WYXWUCSBECUHSN-UHFFFAOYSA-N 0 0 417.314 4.200 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1COC1CCOCC1 ZINC000429262647 857580781 /nfs/dbraw/zinc/58/07/81/857580781.db2.gz VLGWBTCVHOTZQJ-UHFFFAOYSA-N 0 0 422.384 4.144 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(=O)OC)c(C2CC2)s1 ZINC000429500868 857700339 /nfs/dbraw/zinc/70/03/39/857700339.db2.gz YXOTVPMGSXRWQH-UHFFFAOYSA-N 0 0 421.500 4.470 20 5 HIBDRN CC(C)(CO)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000437627910 862949396 /nfs/dbraw/zinc/94/93/96/862949396.db2.gz HQPYPMLRCPVPAG-NRFANRHFSA-N 0 0 411.502 4.071 20 5 HIBDRN Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000429603623 857785548 /nfs/dbraw/zinc/78/55/48/857785548.db2.gz GNOQSFNCBWJBLQ-INIZCTEOSA-N 0 0 412.412 4.276 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000429609384 857791614 /nfs/dbraw/zinc/79/16/14/857791614.db2.gz IBWMUJVUKKEJTM-UHFFFAOYSA-N 0 0 424.251 4.038 20 5 HIBDRN O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429785150 857884068 /nfs/dbraw/zinc/88/40/68/857884068.db2.gz LEINWSQCEJFIHI-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429838778 857904538 /nfs/dbraw/zinc/90/45/38/857904538.db2.gz JNUOVIOBTBNKJI-UHFFFAOYSA-N 0 0 420.263 4.056 20 5 HIBDRN CC(C)c1ccc(OCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000429857116 857913537 /nfs/dbraw/zinc/91/35/37/857913537.db2.gz DODUORFYTNCWKD-UHFFFAOYSA-N 0 0 407.264 4.290 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000437637379 862964445 /nfs/dbraw/zinc/96/44/45/862964445.db2.gz VUWPXTRBJNCDPG-SAZUREKKSA-N 0 0 423.391 4.368 20 5 HIBDRN CC(C)(C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1)c1ccccc1[N+](=O)[O-] ZINC000429898819 857934434 /nfs/dbraw/zinc/93/44/34/857934434.db2.gz BBBAWIIUSVMACE-UHFFFAOYSA-N 0 0 416.424 4.272 20 5 HIBDRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cccc(C(F)(F)F)c1F ZINC000429922850 857948706 /nfs/dbraw/zinc/94/87/06/857948706.db2.gz LCRFFNPXOMNOSU-UHFFFAOYSA-N 0 0 400.284 4.166 20 5 HIBDRN O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429926010 857951764 /nfs/dbraw/zinc/95/17/64/857951764.db2.gz LUHIZXPEXXIXCO-ZDUSSCGKSA-N 0 0 411.252 4.463 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429933980 857956500 /nfs/dbraw/zinc/95/65/00/857956500.db2.gz PSYDTCJDGYRHGH-UHFFFAOYSA-N 0 0 406.486 4.050 20 5 HIBDRN O=C(NCCSCc1ccccc1F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429941486 857961710 /nfs/dbraw/zinc/96/17/10/857961710.db2.gz DEFUPKBRKXYDJI-UHFFFAOYSA-N 0 0 413.268 4.160 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000429945916 857962619 /nfs/dbraw/zinc/96/26/19/857962619.db2.gz IXMYKSKDQXGGIP-SECBINFHSA-N 0 0 415.190 4.450 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cnccc1-c1ccccc1 ZINC000429990392 857986789 /nfs/dbraw/zinc/98/67/89/857986789.db2.gz JRWQJIBPSLJLEG-UHFFFAOYSA-N 0 0 418.453 4.033 20 5 HIBDRN Cc1cc(Br)cnc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000430122400 858041450 /nfs/dbraw/zinc/04/14/50/858041450.db2.gz OJGBPFACDLXCMY-UHFFFAOYSA-N 0 0 422.282 4.259 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000430134546 858048054 /nfs/dbraw/zinc/04/80/54/858048054.db2.gz PASPATOLGROCKH-NQIIRXRSSA-N 0 0 418.490 4.132 20 5 HIBDRN CC(=O)N1CCC(N(Cc2cncs2)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000430188567 858073589 /nfs/dbraw/zinc/07/35/89/858073589.db2.gz BASVGQLMHUPXHZ-UHFFFAOYSA-N 0 0 416.547 4.188 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c1 ZINC000430198127 858077512 /nfs/dbraw/zinc/07/75/12/858077512.db2.gz XYUGLSZYVLZBSD-UHFFFAOYSA-N 0 0 418.247 4.119 20 5 HIBDRN Cc1noc(C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c2ccccc2)n1 ZINC000430419951 858151984 /nfs/dbraw/zinc/15/19/84/858151984.db2.gz DCFNELKYPFNHPA-JOCHJYFZSA-N 0 0 424.460 4.087 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000430499975 858201780 /nfs/dbraw/zinc/20/17/80/858201780.db2.gz ONTVQACMSBGKHE-DZGCQCFKSA-N 0 0 405.907 4.124 20 5 HIBDRN Cc1sc2ncnc(SCC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)c2c1C ZINC000430518969 858206181 /nfs/dbraw/zinc/20/61/81/858206181.db2.gz HOVOTIVVMIHQNA-UHFFFAOYSA-N 0 0 416.528 4.360 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000430524247 858206748 /nfs/dbraw/zinc/20/67/48/858206748.db2.gz KGPYHBXRDBJAGQ-HEFCMCLBSA-N 0 0 424.497 4.472 20 5 HIBDRN CC(C)(NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000430529943 858209364 /nfs/dbraw/zinc/20/93/64/858209364.db2.gz POOQHKWMXDNHCR-UHFFFAOYSA-N 0 0 412.421 4.158 20 5 HIBDRN COc1ccc(-c2noc(CCCC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000430553479 858216097 /nfs/dbraw/zinc/21/60/97/858216097.db2.gz SYYUPNJYWZVKCO-UHFFFAOYSA-N 0 0 424.457 4.028 20 5 HIBDRN Cc1cc(OCC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000430570178 858222822 /nfs/dbraw/zinc/22/28/22/858222822.db2.gz BIEVHJFEXABGTM-IBGZPJMESA-N 0 0 422.441 4.086 20 5 HIBDRN CCOc1ccc(Br)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430570645 858223177 /nfs/dbraw/zinc/22/31/77/858223177.db2.gz ISFXIEKGMYUMNV-UHFFFAOYSA-N 0 0 409.236 4.082 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)cc1OC ZINC000430663185 858256733 /nfs/dbraw/zinc/25/67/33/858256733.db2.gz FQMGEAYEOPJUJR-YUNKPMOVSA-N 0 0 402.422 4.195 20 5 HIBDRN Cc1c(C(=O)N2c3ccccc3S[C@@H](C)[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000430664729 858257711 /nfs/dbraw/zinc/25/77/11/858257711.db2.gz OWBYSRFQZWZEIB-OCCSQVGLSA-N 0 0 409.471 4.013 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000430668764 858259639 /nfs/dbraw/zinc/25/96/39/858259639.db2.gz YHYVZGPCDZINBW-MGNBDDOMSA-N 0 0 424.375 4.397 20 5 HIBDRN CC(=O)Nc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)sc2c1 ZINC000437662641 863002665 /nfs/dbraw/zinc/00/26/65/863002665.db2.gz SWZIDRBVGHOSKZ-UHFFFAOYSA-N 0 0 424.360 4.434 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000430685205 858268271 /nfs/dbraw/zinc/26/82/71/858268271.db2.gz PXKFEYZQUUJERV-UHFFFAOYSA-N 0 0 416.861 4.057 20 5 HIBDRN CCSc1nccnc1C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000430811631 858313339 /nfs/dbraw/zinc/31/33/39/858313339.db2.gz QTLDDCOCBKYUII-UHFFFAOYSA-N 0 0 410.455 4.328 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000430853367 858334982 /nfs/dbraw/zinc/33/49/82/858334982.db2.gz WAWJAVRDLMNHBX-QFYYESIMSA-N 0 0 408.241 4.126 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1cccnc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430911820 858367167 /nfs/dbraw/zinc/36/71/67/858367167.db2.gz DFYGUHYECHOSNL-GOSISDBHSA-N 0 0 412.243 4.272 20 5 HIBDRN O=C(N[C@H](c1nccs1)c1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430922379 858371730 /nfs/dbraw/zinc/37/17/30/858371730.db2.gz ZYAQGEDDRWQWPY-HNNXBMFYSA-N 0 0 418.272 4.333 20 5 HIBDRN Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-])CCC2 ZINC000430947561 858379567 /nfs/dbraw/zinc/37/95/67/858379567.db2.gz DZSLNRDWCSXBOW-CYBMUJFWSA-N 0 0 410.293 4.272 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N(CCc1cccc(F)c1)C1CC1 ZINC000430952962 858380363 /nfs/dbraw/zinc/38/03/63/858380363.db2.gz RKFJBELGGCVKHR-UHFFFAOYSA-N 0 0 407.239 4.344 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1 ZINC000431113616 858452168 /nfs/dbraw/zinc/45/21/68/858452168.db2.gz USUFRJPPNNLHJQ-UHFFFAOYSA-N 0 0 403.438 4.470 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)cc1OC ZINC000431149706 858472320 /nfs/dbraw/zinc/47/23/20/858472320.db2.gz CWGQYDCOVADMRL-PKOBYXMFSA-N 0 0 406.438 4.441 20 5 HIBDRN COc1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000431156201 858475796 /nfs/dbraw/zinc/47/57/96/858475796.db2.gz DZJVPXPMNPCPAF-HNNXBMFYSA-N 0 0 423.238 4.482 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000431157699 858476671 /nfs/dbraw/zinc/47/66/71/858476671.db2.gz XNTCXJYROHHMOP-OAHLLOKOSA-N 0 0 423.238 4.239 20 5 HIBDRN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431167811 858483220 /nfs/dbraw/zinc/48/32/20/858483220.db2.gz FMNSTADUHJCKTA-UHFFFAOYSA-N 0 0 418.291 4.230 20 5 HIBDRN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431170140 858484704 /nfs/dbraw/zinc/48/47/04/858484704.db2.gz BGEHZKBXACYZDE-UHFFFAOYSA-N 0 0 417.210 4.055 20 5 HIBDRN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000431177551 858488566 /nfs/dbraw/zinc/48/85/66/858488566.db2.gz AMKPCKWWOMYVEC-UHFFFAOYSA-N 0 0 424.844 4.168 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc(OC)c1C ZINC000431177203 858488704 /nfs/dbraw/zinc/48/87/04/858488704.db2.gz FUHJFGWUOKVQDC-UHFFFAOYSA-N 0 0 409.236 4.244 20 5 HIBDRN Cc1c(NC(=O)C[C@H]2OCCc3ccccc32)cc(Br)cc1[N+](=O)[O-] ZINC000431182869 858491883 /nfs/dbraw/zinc/49/18/83/858491883.db2.gz NWDMQSMMBBDBDD-QGZVFWFLSA-N 0 0 405.248 4.308 20 5 HIBDRN Cc1noc(C)c1CSCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431183553 858492885 /nfs/dbraw/zinc/49/28/85/858492885.db2.gz YBTSLQRNMAHZKF-UHFFFAOYSA-N 0 0 414.281 4.142 20 5 HIBDRN CC(=O)Nc1ccc(C)c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431184109 858492945 /nfs/dbraw/zinc/49/29/45/858492945.db2.gz SUXOVSDSJQLYQP-UHFFFAOYSA-N 0 0 406.236 4.185 20 5 HIBDRN O=C(Nc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1)C1CC1 ZINC000437694349 863031616 /nfs/dbraw/zinc/03/16/16/863031616.db2.gz UETUWUWPNLQRRC-UHFFFAOYSA-N 0 0 424.457 4.019 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)COc2c(Br)cccc2[N+](=O)[O-])C2CC2)cc1 ZINC000431221253 858513184 /nfs/dbraw/zinc/51/31/84/858513184.db2.gz UANXNVBTSBWCEG-GOSISDBHSA-N 0 0 419.275 4.312 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])Nc1cc(Cl)ccc1F ZINC000431229550 858517886 /nfs/dbraw/zinc/51/78/86/858517886.db2.gz NMGLSOULEHKUCZ-UHFFFAOYSA-N 0 0 403.591 4.167 20 5 HIBDRN CCOc1ccc(-c2noc(COc3c(Br)cccc3[N+](=O)[O-])n2)cc1 ZINC000431230877 858518744 /nfs/dbraw/zinc/51/87/44/858518744.db2.gz KBPMPZLOHXLXQG-UHFFFAOYSA-N 0 0 420.219 4.385 20 5 HIBDRN COc1cccc(CO[C@@H](C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431229720 858518936 /nfs/dbraw/zinc/51/89/36/858518936.db2.gz GAYRFPRGBRFUPH-LBPRGKRZSA-N 0 0 423.263 4.218 20 5 HIBDRN Cc1c(CC(=O)N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000431233546 858521023 /nfs/dbraw/zinc/52/10/23/858521023.db2.gz SPPHLSPUHWKVLH-UHFFFAOYSA-N 0 0 412.877 4.062 20 5 HIBDRN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000431232808 858521039 /nfs/dbraw/zinc/52/10/39/858521039.db2.gz ZUMHNOGWLPFRMZ-UHFFFAOYSA-N 0 0 412.877 4.143 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000431246968 858528618 /nfs/dbraw/zinc/52/86/18/858528618.db2.gz JWZIBDYEUQIHMY-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1c(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431247993 858530205 /nfs/dbraw/zinc/53/02/05/858530205.db2.gz NUXAKWRRFFCMPY-CQSZACIVSA-N 0 0 405.248 4.422 20 5 HIBDRN C[C@@H]1CN(c2ccccc2NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000431407716 858599719 /nfs/dbraw/zinc/59/97/19/858599719.db2.gz QJUKKEMACCVLJD-IYBDPMFKSA-N 0 0 412.490 4.265 20 5 HIBDRN O=C(Nc1ccc(-c2csnn2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431443005 858617612 /nfs/dbraw/zinc/61/76/12/858617612.db2.gz CMCAGLZGGLSKKE-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN CCCC(=O)Nc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431444205 858618735 /nfs/dbraw/zinc/61/87/35/858618735.db2.gz IBLZEQFABHBWLI-UHFFFAOYSA-N 0 0 406.236 4.348 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000437714187 863045400 /nfs/dbraw/zinc/04/54/00/863045400.db2.gz CESCCXXPLIUSLI-LJQANCHMSA-N 0 0 413.474 4.167 20 5 HIBDRN C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000431470124 858631801 /nfs/dbraw/zinc/63/18/01/858631801.db2.gz GQVXHTIMGXVSBS-SSDOTTSWSA-N 0 0 402.046 4.083 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000431484457 858638941 /nfs/dbraw/zinc/63/89/41/858638941.db2.gz MDJFOBJTXYCHPX-ZUZCIYMTSA-N 0 0 411.277 4.021 20 5 HIBDRN COc1ccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C(C)C)cc1 ZINC000431573682 858674369 /nfs/dbraw/zinc/67/43/69/858674369.db2.gz CMFLHFWIEPBHCG-NRFANRHFSA-N 0 0 409.442 4.044 20 5 HIBDRN COc1ccccc1-c1noc(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000431575148 858675358 /nfs/dbraw/zinc/67/53/58/858675358.db2.gz BDHARVSTEWXPEG-UHFFFAOYSA-N 0 0 423.429 4.065 20 5 HIBDRN CCCOc1cc(NC(=O)Nc2ccn(C(C)C)n2)c([N+](=O)[O-])cc1OCCC ZINC000431592604 858680336 /nfs/dbraw/zinc/68/03/36/858680336.db2.gz PYHNVXFQQCAVHT-UHFFFAOYSA-N 0 0 405.455 4.594 20 5 HIBDRN C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000431669523 858726814 /nfs/dbraw/zinc/72/68/14/858726814.db2.gz HYGYXZCNVLEWMA-GFCCVEGCSA-N 0 0 402.401 4.495 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000437732131 863061854 /nfs/dbraw/zinc/06/18/54/863061854.db2.gz YYDUDPKFRNPZEG-BEFAXECRSA-N 0 0 424.906 4.003 20 5 HIBDRN CC(C)(NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000431783009 858809713 /nfs/dbraw/zinc/80/97/13/858809713.db2.gz RGZYHUWJLUVYGX-UHFFFAOYSA-N 0 0 422.441 4.175 20 5 HIBDRN CN(CCOc1ccccc1Cl)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431787004 858811798 /nfs/dbraw/zinc/81/17/98/858811798.db2.gz UCKBXCONNDKAKI-UHFFFAOYSA-N 0 0 413.655 4.162 20 5 HIBDRN Cc1csc(C2(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCCC2)n1 ZINC000431924707 858872116 /nfs/dbraw/zinc/87/21/16/858872116.db2.gz ILNASRMMPTTWCN-UHFFFAOYSA-N 0 0 410.293 4.322 20 5 HIBDRN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000431923990 858872250 /nfs/dbraw/zinc/87/22/50/858872250.db2.gz IQKBPNPXXLZQBA-CYBMUJFWSA-N 0 0 421.291 4.459 20 5 HIBDRN Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000431999509 858914805 /nfs/dbraw/zinc/91/48/05/858914805.db2.gz CZHSUMRGHYCWBK-JTQLQIEISA-N 0 0 413.402 4.107 20 5 HIBDRN O=C1N[C@H](Cc2cccc3ccccc32)C(=O)N1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000432022342 858934215 /nfs/dbraw/zinc/93/42/15/858934215.db2.gz YLFFWRGIRKBZRX-LJQANCHMSA-N 0 0 409.829 4.065 20 5 HIBDRN O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000432210845 859048343 /nfs/dbraw/zinc/04/83/43/859048343.db2.gz RNBOVMQSYINYAI-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432233796 859060106 /nfs/dbraw/zinc/06/01/06/859060106.db2.gz VSYZDTRCASKGGT-GOSISDBHSA-N 0 0 412.243 4.272 20 5 HIBDRN Cc1nn(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c2ccc([N+](=O)[O-])cc12 ZINC000432248453 859067434 /nfs/dbraw/zinc/06/74/34/859067434.db2.gz WKVDLDXGICNMPB-SNVBAGLBSA-N 0 0 407.257 4.437 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c1 ZINC000432275851 859080734 /nfs/dbraw/zinc/08/07/34/859080734.db2.gz VFMVYSFNEFULEL-AWEZNQCLSA-N 0 0 414.405 4.457 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)cc1[N+](=O)[O-] ZINC000432305651 859095308 /nfs/dbraw/zinc/09/53/08/859095308.db2.gz IXMAVBGRWJEIPJ-AWEZNQCLSA-N 0 0 414.405 4.457 20 5 HIBDRN Cc1cc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nnc1C ZINC000432420073 859156752 /nfs/dbraw/zinc/15/67/52/859156752.db2.gz IIUOONAYXFOVJB-UHFFFAOYSA-N 0 0 403.236 4.636 20 5 HIBDRN Cc1cnc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)s1 ZINC000432490884 859190692 /nfs/dbraw/zinc/19/06/92/859190692.db2.gz QDJVNYGXGMNNEI-UHFFFAOYSA-N 0 0 410.293 4.142 20 5 HIBDRN CCCc1c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cnn1-c1ccc(C)cc1 ZINC000432573332 859233640 /nfs/dbraw/zinc/23/36/40/859233640.db2.gz FPGHHFCPZCAPBD-UHFFFAOYSA-N 0 0 408.414 4.022 20 5 HIBDRN COc1cc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)ccc1[N+](=O)[O-] ZINC000432584615 859240142 /nfs/dbraw/zinc/24/01/42/859240142.db2.gz ACFUGWXBYBIQCF-OAHLLOKOSA-N 0 0 410.455 4.175 20 5 HIBDRN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432683828 859292398 /nfs/dbraw/zinc/29/23/98/859292398.db2.gz DJQBOCNSOWKSQI-SNVBAGLBSA-N 0 0 420.288 4.328 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000432724288 859320768 /nfs/dbraw/zinc/32/07/68/859320768.db2.gz XUSBSSBVAMXKSQ-AWEZNQCLSA-N 0 0 421.734 4.261 20 5 HIBDRN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000432775216 859354683 /nfs/dbraw/zinc/35/46/83/859354683.db2.gz HCSAYXQNXFJCSH-MRXNPFEDSA-N 0 0 403.504 4.305 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000432850873 859388673 /nfs/dbraw/zinc/38/86/73/859388673.db2.gz HYSBPFPDAQCZKL-FQEVSTJZSA-N 0 0 412.396 4.426 20 5 HIBDRN COCCOc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000432910855 859425789 /nfs/dbraw/zinc/42/57/89/859425789.db2.gz FYLDUFUDLYUCIX-UHFFFAOYSA-N 0 0 407.854 4.330 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000432952056 859445207 /nfs/dbraw/zinc/44/52/07/859445207.db2.gz WDZXZKRJPITTDH-UHFFFAOYSA-N 0 0 419.279 4.466 20 5 HIBDRN CC(C)(NC(=O)Nc1ccc(OCC2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000432962496 859450569 /nfs/dbraw/zinc/45/05/69/859450569.db2.gz WSFQLPSDPDUGJX-UHFFFAOYSA-N 0 0 413.474 4.457 20 5 HIBDRN Cc1ccc(-c2cccnc2)cc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000432996484 859469183 /nfs/dbraw/zinc/46/91/83/859469183.db2.gz UFEARJUMPNXYOF-UHFFFAOYSA-N 0 0 406.446 4.031 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CC[S@](=O)CC[C@H]3C)cc2[N+](=O)[O-])cc1 ZINC000433033568 859490860 /nfs/dbraw/zinc/49/08/60/859490860.db2.gz QCMDMFWIOIGYKH-CHAGWJKLSA-N 0 0 404.557 4.397 20 5 HIBDRN C[C@H]1CC[S@@](=O)CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000433032484 859490985 /nfs/dbraw/zinc/49/09/85/859490985.db2.gz RKVCVVJXBBBJGL-PGGUUEOZSA-N 0 0 408.907 4.383 20 5 HIBDRN CCOC(=O)c1csc(C2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000433055408 859502993 /nfs/dbraw/zinc/50/29/93/859502993.db2.gz VZGRJFXGPUTUER-ALCCZGGFSA-N 0 0 401.488 4.121 20 5 HIBDRN COCCN1C(=O)CCc2cc(N[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)ccc21 ZINC000433076743 859512051 /nfs/dbraw/zinc/51/20/51/859512051.db2.gz LMQVBFWFSRIGIK-HXUWFJFHSA-N 0 0 409.486 4.355 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cccs1 ZINC000433095947 859519840 /nfs/dbraw/zinc/51/98/40/859519840.db2.gz BWMUUJOJEOMUJB-CYBMUJFWSA-N 0 0 423.288 4.296 20 5 HIBDRN CC1(C)C[C@@H](NCc2nnc3ccc(C(F)(F)F)cn32)c2cc([N+](=O)[O-])ccc21 ZINC000433171523 859552823 /nfs/dbraw/zinc/55/28/23/859552823.db2.gz DVSSSZCZRTWGMF-OAHLLOKOSA-N 0 0 405.380 4.169 20 5 HIBDRN CSCC[C@@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nnc2ccccn21 ZINC000433177795 859556587 /nfs/dbraw/zinc/55/65/87/859556587.db2.gz VPBYVFMZOSJMFI-QZTJIDSGSA-N 0 0 411.531 4.444 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1)n1cncn1 ZINC000433236845 859583390 /nfs/dbraw/zinc/58/33/90/859583390.db2.gz YTPMKRHHILWQEA-VLIAUNLRSA-N 0 0 420.473 4.221 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000433273620 859608306 /nfs/dbraw/zinc/60/83/06/859608306.db2.gz ZZHQEIRNTUELJL-CQSZACIVSA-N 0 0 420.416 4.234 20 5 HIBDRN COc1cc(CCNC(=O)N(C)C2CCC(C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000433275105 859609648 /nfs/dbraw/zinc/60/96/48/859609648.db2.gz PBDWFYDRFPSFCB-UHFFFAOYSA-N 0 0 407.511 4.011 20 5 HIBDRN Cc1ccc(NC(=O)Cc2nc(CN(C)Cc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000433291671 859620647 /nfs/dbraw/zinc/62/06/47/859620647.db2.gz UZLKCSZAPVGXCD-UHFFFAOYSA-N 0 0 410.499 4.173 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433306128 859629206 /nfs/dbraw/zinc/62/92/06/859629206.db2.gz REQKORHCABGDJH-DZGCQCFKSA-N 0 0 403.866 4.073 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000433342634 859655760 /nfs/dbraw/zinc/65/57/60/859655760.db2.gz JZHDKJYQRSICBP-LJQANCHMSA-N 0 0 413.380 4.494 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(Cl)c(F)c1 ZINC000433568999 859784626 /nfs/dbraw/zinc/78/46/26/859784626.db2.gz PCVMOPFLFDQTGB-OAHLLOKOSA-N 0 0 420.780 4.168 20 5 HIBDRN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000433572274 859785857 /nfs/dbraw/zinc/78/58/57/859785857.db2.gz AOBLSRPONCXWGL-ORAYPTAESA-N 0 0 409.467 4.183 20 5 HIBDRN COCCN(C(=O)c1ccoc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000433577046 859789711 /nfs/dbraw/zinc/78/97/11/859789711.db2.gz XPPSEJMMTINVJN-UHFFFAOYSA-N 0 0 407.835 4.258 20 5 HIBDRN COc1cc(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)ccc1[N+](=O)[O-] ZINC000433729553 859859651 /nfs/dbraw/zinc/85/96/51/859859651.db2.gz GZSGKHLSCVLSQU-UHFFFAOYSA-N 0 0 417.259 4.448 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1[N+](=O)[O-] ZINC000433753574 859876210 /nfs/dbraw/zinc/87/62/10/859876210.db2.gz LBDDSGTVEQDNTF-UHFFFAOYSA-N 0 0 424.895 4.350 20 5 HIBDRN COc1ccc(CCN(CC(C)(C)C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000433758723 859879908 /nfs/dbraw/zinc/87/99/08/859879908.db2.gz OCOPOKBRHHVKSD-UHFFFAOYSA-N 0 0 402.495 4.181 20 5 HIBDRN Cc1nc(-c2ccccc2NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC000433806196 859903642 /nfs/dbraw/zinc/90/36/42/859903642.db2.gz QIGBWSHIVUXIOL-UHFFFAOYSA-N 0 0 410.455 4.322 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@@](C)(c3ccc(C)cc3)C2)c(C)c([N+](=O)[O-])c1 ZINC000433836786 859923110 /nfs/dbraw/zinc/92/31/10/859923110.db2.gz PSYJIGYXOVSAEY-JOCHJYFZSA-N 0 0 411.458 4.194 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c1[N+](=O)[O-] ZINC000433849880 859931694 /nfs/dbraw/zinc/93/16/94/859931694.db2.gz UYEYAFHEDFRSLB-WPUWVODUSA-N 0 0 416.481 4.468 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cccc(COCCOc3ccccc3)c2)c1[N+](=O)[O-] ZINC000433849574 859931949 /nfs/dbraw/zinc/93/19/49/859931949.db2.gz REARUNDJDHLKMB-UHFFFAOYSA-N 0 0 424.457 4.289 20 5 HIBDRN Cc1c(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)noc1-c1ccccc1F ZINC000433903334 859961032 /nfs/dbraw/zinc/96/10/32/859961032.db2.gz HWRHPWMVHIUKOJ-UHFFFAOYSA-N 0 0 410.405 4.894 20 5 HIBDRN Cc1cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n(-c2ccccc2C(F)(F)F)n1 ZINC000433930211 859979262 /nfs/dbraw/zinc/97/92/62/859979262.db2.gz JINHMSUTCDTDTL-UHFFFAOYSA-N 0 0 422.367 4.207 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000433980429 860014748 /nfs/dbraw/zinc/01/47/48/860014748.db2.gz IMCGWSXTAPJCDJ-HOTGVXAUSA-N 0 0 417.893 4.048 20 5 HIBDRN CC(C)Oc1cc(Br)cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000434029947 860050984 /nfs/dbraw/zinc/05/09/84/860050984.db2.gz FAWRBOLZSDABOT-UHFFFAOYSA-N 0 0 411.256 4.243 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC[C@H](c3cccnc3)C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000434184842 860175481 /nfs/dbraw/zinc/17/54/81/860175481.db2.gz VRIOBIYKWNZKIC-NRFANRHFSA-N 0 0 421.501 4.021 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000434248296 860227509 /nfs/dbraw/zinc/22/75/09/860227509.db2.gz IOTSFEGVXYQBBU-INIZCTEOSA-N 0 0 400.431 4.244 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2nc3ccccc3n2-c2ccccc2F)c1[N+](=O)[O-] ZINC000434251813 860230601 /nfs/dbraw/zinc/23/06/01/860230601.db2.gz XDGGYKZTYDOMMQ-UHFFFAOYSA-N 0 0 408.393 4.172 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)c3ncccc3F)cc2[N+](=O)[O-])n1 ZINC000434316000 860277018 /nfs/dbraw/zinc/27/70/18/860277018.db2.gz FGGMKMRYKMLWOY-UHFFFAOYSA-N 0 0 404.448 4.322 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCSC(C)(C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434375761 860321037 /nfs/dbraw/zinc/32/10/37/860321037.db2.gz YRIUGDCTNNTRRQ-AWEZNQCLSA-N 0 0 400.504 4.131 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434381623 860324298 /nfs/dbraw/zinc/32/42/98/860324298.db2.gz BRDJHKXQOUMIMD-UHFFFAOYSA-N 0 0 422.363 4.004 20 5 HIBDRN Cc1ccc(NCCCNC(=O)c2ccccc2NCc2cccnc2)c([N+](=O)[O-])c1 ZINC000434399043 860333098 /nfs/dbraw/zinc/33/30/98/860333098.db2.gz ZQZVPMIYEQFXAB-UHFFFAOYSA-N 0 0 419.485 4.142 20 5 HIBDRN CCOC(=O)c1cc(N2CCC(C(=O)c3cc(F)ccc3F)CC2)ccc1[N+](=O)[O-] ZINC000467735557 881536736 /nfs/dbraw/zinc/53/67/36/881536736.db2.gz OUBZRYJTEJXDJA-UHFFFAOYSA-N 0 0 418.396 4.149 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2coc(-c3ccc(C)cc3)n2)ccc1[N+](=O)[O-] ZINC000434636739 860442450 /nfs/dbraw/zinc/44/24/50/860442450.db2.gz JTVZHYQTPITHRN-UHFFFAOYSA-N 0 0 416.455 4.072 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2nc(-c3ccccc3)oc2C)ccc1[N+](=O)[O-] ZINC000434638360 860442656 /nfs/dbraw/zinc/44/26/56/860442656.db2.gz AVMOWJZKVOXGLB-UHFFFAOYSA-N 0 0 416.455 4.072 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CSc3ncnc4c3cnn4-c3ccccc3)nc2c1 ZINC000434792489 860495732 /nfs/dbraw/zinc/49/57/32/860495732.db2.gz FCERZKHMHRDFSF-UHFFFAOYSA-N 0 0 404.411 4.157 20 5 HIBDRN O=C1[C@@H](Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCN1CC(F)(F)F ZINC000434877150 860530910 /nfs/dbraw/zinc/53/09/10/860530910.db2.gz NNNPJRLDSMJEST-NSHDSACASA-N 0 0 417.434 4.383 20 5 HIBDRN O=[N+]([O-])c1cc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)c2c(c1)COCO2 ZINC000434886497 860536750 /nfs/dbraw/zinc/53/67/50/860536750.db2.gz MDUOWIIGKOOHJT-UHFFFAOYSA-N 0 0 414.421 4.435 20 5 HIBDRN COc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC)c(C)c1OC ZINC000434892579 860539652 /nfs/dbraw/zinc/53/96/52/860539652.db2.gz STWLGIJFIJUPMT-UHFFFAOYSA-N 0 0 415.446 4.126 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000434967004 860579011 /nfs/dbraw/zinc/57/90/11/860579011.db2.gz DVICFKBGSHYNHP-GFCCVEGCSA-N 0 0 414.409 4.159 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCC3(Cc4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000435280667 860715983 /nfs/dbraw/zinc/71/59/83/860715983.db2.gz NZFQTELYJRVBBL-UHFFFAOYSA-N 0 0 418.497 4.209 20 5 HIBDRN Cc1ccc([C@@H]2COCCN2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)o1 ZINC000435322229 860734130 /nfs/dbraw/zinc/73/41/30/860734130.db2.gz BAXKNLUACMNUNK-HNNXBMFYSA-N 0 0 424.251 4.173 20 5 HIBDRN COc1cc(F)cc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000435327566 860738909 /nfs/dbraw/zinc/73/89/09/860738909.db2.gz HREZPMWECHDGQG-UHFFFAOYSA-N 0 0 412.215 4.135 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1F ZINC000435327573 860739226 /nfs/dbraw/zinc/73/92/26/860739226.db2.gz HUFQYCWIHVSYRS-UHFFFAOYSA-N 0 0 412.215 4.135 20 5 HIBDRN CS[C@H]1CCC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435329598 860741443 /nfs/dbraw/zinc/74/14/43/860741443.db2.gz QCLFSBVNJBAWHK-RYUDHWBXSA-N 0 0 402.314 4.461 20 5 HIBDRN Cc1c(NC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000435329885 860741535 /nfs/dbraw/zinc/74/15/35/860741535.db2.gz REAGLCIWCHWEKL-UHFFFAOYSA-N 0 0 424.299 4.350 20 5 HIBDRN COCC[C@H]1CCCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435330471 860741675 /nfs/dbraw/zinc/74/16/75/860741675.db2.gz SXXBSTCBDWSNPN-CYBMUJFWSA-N 0 0 414.300 4.336 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(Sc3ccncc3)cc2)cc([N+](=O)[O-])c1 ZINC000435368849 860766744 /nfs/dbraw/zinc/76/67/44/860766744.db2.gz JKKXCBRRBSZQHH-UHFFFAOYSA-N 0 0 409.423 4.180 20 5 HIBDRN C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000435373313 860772095 /nfs/dbraw/zinc/77/20/95/860772095.db2.gz DMIQGSBXEWNNKS-HTAPYJJXSA-N 0 0 418.497 4.132 20 5 HIBDRN Cc1sc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] ZINC000435385110 860779347 /nfs/dbraw/zinc/77/93/47/860779347.db2.gz POWBFXBIFROJBY-VIFPVBQESA-N 0 0 405.423 4.460 20 5 HIBDRN COc1ccc(OCCSCc2noc(Cc3ccccc3C)n2)c([N+](=O)[O-])c1 ZINC000435396893 860784537 /nfs/dbraw/zinc/78/45/37/860784537.db2.gz AFOCKDBQYLVZLX-UHFFFAOYSA-N 0 0 415.471 4.198 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2nccn2CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000435419656 860794250 /nfs/dbraw/zinc/79/42/50/860794250.db2.gz YIVRAHKGLVBINL-SFHVURJKSA-N 0 0 421.501 4.293 20 5 HIBDRN Cc1nn(C)c(C)c1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435448191 860802185 /nfs/dbraw/zinc/80/21/85/860802185.db2.gz TZNAARKOENHEIP-UHFFFAOYSA-N 0 0 418.500 4.175 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCCC[C@@H]2Oc2cccc(C)c2)c([N+](=O)[O-])cc1OC ZINC000435457016 860805513 /nfs/dbraw/zinc/80/55/13/860805513.db2.gz JCUXMTHXSHULNY-HKUYNNGSSA-N 0 0 414.458 4.040 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCCCCC1 ZINC000435504296 860826541 /nfs/dbraw/zinc/82/65/41/860826541.db2.gz HDSZQGVLFSFTKL-UHFFFAOYSA-N 0 0 405.501 4.149 20 5 HIBDRN COc1ccc(-c2ncc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])s2)cc1OC ZINC000435533914 860849777 /nfs/dbraw/zinc/84/97/77/860849777.db2.gz KSEJVEGYSGLVIS-UHFFFAOYSA-N 0 0 413.455 4.008 20 5 HIBDRN COc1cccc(C(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)c1[N+](=O)[O-] ZINC000435543108 860856884 /nfs/dbraw/zinc/85/68/84/860856884.db2.gz TWSOCPQFJLMROO-AWEZNQCLSA-N 0 0 402.447 4.138 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)c1[N+](=O)[O-] ZINC000435551571 860867357 /nfs/dbraw/zinc/86/73/57/860867357.db2.gz MRUYOPVXCFTKMG-UHFFFAOYSA-N 0 0 420.400 4.462 20 5 HIBDRN O=C(c1ccc(N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000435570815 860891007 /nfs/dbraw/zinc/89/10/07/860891007.db2.gz PERNSJHQUOOTHR-RBBKRZOGSA-N 0 0 417.465 4.188 20 5 HIBDRN CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435614878 860919161 /nfs/dbraw/zinc/91/91/61/860919161.db2.gz FXTAGVJPRFEOOQ-UHFFFAOYSA-N 0 0 411.227 4.167 20 5 HIBDRN CCOC(=O)c1cc2cc(NC(=O)c3cccc(OC)c3[N+](=O)[O-])ccc2s1 ZINC000435624477 860926052 /nfs/dbraw/zinc/92/60/52/860926052.db2.gz COTXCVXGPAMGNF-UHFFFAOYSA-N 0 0 400.412 4.247 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(c2ccccc2)C2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000467782354 881602500 /nfs/dbraw/zinc/60/25/00/881602500.db2.gz CTBWGMMJJXHHLH-UHFFFAOYSA-N 0 0 408.479 4.266 20 5 HIBDRN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2nc(C3CCCCC3)cs2)C1=O ZINC000435793411 861063991 /nfs/dbraw/zinc/06/39/91/861063991.db2.gz AIPNXOUXOKIERW-FQEVSTJZSA-N 0 0 414.487 4.066 20 5 HIBDRN COc1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c1[N+](=O)[O-] ZINC000435816053 861080942 /nfs/dbraw/zinc/08/09/42/861080942.db2.gz GMMXSHDBMYTSHP-UHFFFAOYSA-N 0 0 421.183 4.442 20 5 HIBDRN COc1cc(N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c([N+](=O)[O-])cc1F ZINC000467790084 881611986 /nfs/dbraw/zinc/61/19/86/881611986.db2.gz VJNDJBUAHNCJIJ-IBGZPJMESA-N 0 0 419.840 4.348 20 5 HIBDRN O=C(NCc1ccc(OC(F)F)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435827480 861091122 /nfs/dbraw/zinc/09/11/22/861091122.db2.gz RPRMCFLXYQQSGM-UHFFFAOYSA-N 0 0 412.367 4.352 20 5 HIBDRN COc1ccc(C)cc1CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435830044 861093782 /nfs/dbraw/zinc/09/37/82/861093782.db2.gz AKQBTACDHQAJNY-UHFFFAOYSA-N 0 0 404.441 4.110 20 5 HIBDRN CCOC(=O)c1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000435834046 861097413 /nfs/dbraw/zinc/09/74/13/861097413.db2.gz HBLNMJGNSUSSJZ-UHFFFAOYSA-N 0 0 404.397 4.249 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(CC3CCC3)[C@H](C)CO)cc2[N+](=O)[O-])n1 ZINC000435856897 861118102 /nfs/dbraw/zinc/11/81/02/861118102.db2.gz LPVCYGAXXBDAGA-CYBMUJFWSA-N 0 0 421.544 4.134 20 5 HIBDRN COc1cccc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)c1[N+](=O)[O-] ZINC000435864155 861124730 /nfs/dbraw/zinc/12/47/30/861124730.db2.gz DLCZPYPXMIJPJX-UHFFFAOYSA-N 0 0 411.439 4.098 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCc2c([nH]c3c2cccc3F)C1 ZINC000467794576 881618779 /nfs/dbraw/zinc/61/87/79/881618779.db2.gz JOLQGOZKQAZPDH-UHFFFAOYSA-N 0 0 419.359 4.405 20 5 HIBDRN CCc1ccc(CC)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000437753613 863076246 /nfs/dbraw/zinc/07/62/46/863076246.db2.gz YKRPOLGBKFWJGS-MRXNPFEDSA-N 0 0 401.488 4.024 20 5 HIBDRN C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1F ZINC000437753976 863078108 /nfs/dbraw/zinc/07/81/08/863078108.db2.gz CLTLHAHNGKEXTJ-ZDUSSCGKSA-N 0 0 405.401 4.187 20 5 HIBDRN COCCOc1c(Cl)cccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437768687 863087050 /nfs/dbraw/zinc/08/70/50/863087050.db2.gz CETONMBGJGWWRS-UHFFFAOYSA-N 0 0 419.865 4.470 20 5 HIBDRN COC(=O)c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl ZINC000437786655 863104329 /nfs/dbraw/zinc/10/43/29/863104329.db2.gz ODWDTVULCPLBAK-UHFFFAOYSA-N 0 0 403.822 4.231 20 5 HIBDRN Cc1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1C(=O)NC(C)C ZINC000437812028 863140265 /nfs/dbraw/zinc/14/02/65/863140265.db2.gz UHJBOUGQQNHOAJ-UHFFFAOYSA-N 0 0 410.474 4.238 20 5 HIBDRN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000437826407 863173462 /nfs/dbraw/zinc/17/34/62/863173462.db2.gz ASWXGYCHUYCTDG-UHFFFAOYSA-N 0 0 419.865 4.124 20 5 HIBDRN CCOc1ccc([C@@H]2C[C@H]2NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000437840978 863197151 /nfs/dbraw/zinc/19/71/51/863197151.db2.gz OITUFKGVBHERTC-ZWKOTPCHSA-N 0 0 423.391 4.368 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)o2)cs1 ZINC000437919312 863294904 /nfs/dbraw/zinc/29/49/04/863294904.db2.gz YOVRTUVQGIVPFO-UHFFFAOYSA-N 0 0 412.471 4.494 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000437923565 863299219 /nfs/dbraw/zinc/29/92/19/863299219.db2.gz ZXEMRQUEEQBOTA-UHFFFAOYSA-N 0 0 410.352 4.268 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC ZINC000437930778 863307033 /nfs/dbraw/zinc/30/70/33/863307033.db2.gz KMSMBLJTRHZFMK-HNNXBMFYSA-N 0 0 413.474 4.356 20 5 HIBDRN O=C(NC1(CO)Cc2ccccc2C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000437953213 863326087 /nfs/dbraw/zinc/32/60/87/863326087.db2.gz YSOZQHOJEFNLKA-UHFFFAOYSA-N 0 0 420.490 4.006 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437999579 863360623 /nfs/dbraw/zinc/36/06/23/863360623.db2.gz ORCGHTOZGJYSLS-IFMALSPDSA-N 0 0 409.486 4.498 20 5 HIBDRN O=C(Cc1cncs1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000438002066 863364690 /nfs/dbraw/zinc/36/46/90/863364690.db2.gz KWGGUMWBDPROKZ-UHFFFAOYSA-N 0 0 421.837 4.495 20 5 HIBDRN CCOc1cc(NC(=O)N2CCc3c(F)ccc(F)c3C2)c([N+](=O)[O-])cc1OCC ZINC000438338742 863811948 /nfs/dbraw/zinc/81/19/48/863811948.db2.gz QHJPFPXDESBFMO-UHFFFAOYSA-N 0 0 421.400 4.261 20 5 HIBDRN CCOc1cc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000438471247 863890624 /nfs/dbraw/zinc/89/06/24/863890624.db2.gz KXSQKEZKXMRVLR-VXGBXAGGSA-N 0 0 404.385 4.101 20 5 HIBDRN COc1ccc(CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000438510265 863934537 /nfs/dbraw/zinc/93/45/37/863934537.db2.gz HTMSNSMORBWWIU-UHFFFAOYSA-N 0 0 407.264 4.117 20 5 HIBDRN COc1cnccc1[C@H](C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000438610168 864036689 /nfs/dbraw/zinc/03/66/89/864036689.db2.gz KRLRSEZDMJUSFT-HNNXBMFYSA-N 0 0 406.442 4.102 20 5 HIBDRN CCSCc1cccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000438652344 864094277 /nfs/dbraw/zinc/09/42/77/864094277.db2.gz AYHNQYDNJBGALJ-UHFFFAOYSA-N 0 0 415.515 4.224 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)NCc2c(OC(C)C)ccc3ccccc32)cc1[N+](=O)[O-] ZINC000467870569 881729756 /nfs/dbraw/zinc/72/97/56/881729756.db2.gz DELYHJCCOYGSAI-UHFFFAOYSA-N 0 0 421.453 4.099 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC2(CCCC2)C1 ZINC000438690109 864156535 /nfs/dbraw/zinc/15/65/35/864156535.db2.gz HOOURSMUWQOJRF-UHFFFAOYSA-N 0 0 406.504 4.046 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438692638 864160555 /nfs/dbraw/zinc/16/05/55/864160555.db2.gz QHQBUGFUQOGILE-ZWKOTPCHSA-N 0 0 405.454 4.049 20 5 HIBDRN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)C1 ZINC000438723994 864206999 /nfs/dbraw/zinc/20/69/99/864206999.db2.gz PONRCNMSXSSRFF-FOIQADDNSA-N 0 0 411.458 4.267 20 5 HIBDRN Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)no1 ZINC000438727278 864209104 /nfs/dbraw/zinc/20/91/04/864209104.db2.gz WRIGITIJYZDICO-FQEVSTJZSA-N 0 0 402.454 4.130 20 5 HIBDRN O=C(Nc1cc(Br)ccn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438813461 864305130 /nfs/dbraw/zinc/30/51/30/864305130.db2.gz SVSMMSYDCHKYNK-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN Cc1c(CC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cccc1[N+](=O)[O-] ZINC000438897066 864377925 /nfs/dbraw/zinc/37/79/25/864377925.db2.gz PBPCNTZUZNTHHN-QGZVFWFLSA-N 0 0 405.454 4.297 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000438903790 864384868 /nfs/dbraw/zinc/38/48/68/864384868.db2.gz XMMJHBXQUYDWCU-UHFFFAOYSA-N 0 0 403.866 4.124 20 5 HIBDRN Cc1c(CC(=O)NCc2ccc(COCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000438903872 864385024 /nfs/dbraw/zinc/38/50/24/864385024.db2.gz SDRVMMAJGVGMMQ-UHFFFAOYSA-N 0 0 404.466 4.479 20 5 HIBDRN Cc1c(CC(=O)Nc2cc(Br)ccc2NC2CC2)cccc1[N+](=O)[O-] ZINC000438920548 864399619 /nfs/dbraw/zinc/39/96/19/864399619.db2.gz NJSRHNQUBWHKKD-UHFFFAOYSA-N 0 0 404.264 4.421 20 5 HIBDRN Cc1c(CC(=O)Nc2nc3ccccc3n2CCc2ccccn2)cccc1[N+](=O)[O-] ZINC000438924136 864402913 /nfs/dbraw/zinc/40/29/13/864402913.db2.gz COXABAKEARUDJF-UHFFFAOYSA-N 0 0 415.453 4.072 20 5 HIBDRN Cc1c(CC(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000438923451 864403386 /nfs/dbraw/zinc/40/33/86/864403386.db2.gz ZNBLEZFRLQVXPO-GOSISDBHSA-N 0 0 408.376 4.065 20 5 HIBDRN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000438928705 864408038 /nfs/dbraw/zinc/40/80/38/864408038.db2.gz IMYHXTVBVXITAC-CVAIRZPRSA-N 0 0 415.877 4.158 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000438946682 864419490 /nfs/dbraw/zinc/41/94/90/864419490.db2.gz XWSGFUIOHOEIPV-UHFFFAOYSA-N 0 0 424.375 4.141 20 5 HIBDRN COCCNC(=O)c1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1Cl ZINC000438959746 864428457 /nfs/dbraw/zinc/42/84/57/864428457.db2.gz ANVQHXBUTCGSFT-UHFFFAOYSA-N 0 0 419.865 4.000 20 5 HIBDRN CC(C)c1ccc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)cc1[N+](=O)[O-] ZINC000438961312 864430220 /nfs/dbraw/zinc/43/02/20/864430220.db2.gz RLXUPIGRKGSBNU-UHFFFAOYSA-N 0 0 414.849 4.394 20 5 HIBDRN Cc1c(CC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000439062177 864511638 /nfs/dbraw/zinc/51/16/38/864511638.db2.gz MTSNBEDLCVKSNC-UHFFFAOYSA-N 0 0 422.510 4.099 20 5 HIBDRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439083358 864531004 /nfs/dbraw/zinc/53/10/04/864531004.db2.gz CDMNXJAFVWBLBA-IERDGZPVSA-N 0 0 411.506 4.063 20 5 HIBDRN COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000439116626 864552661 /nfs/dbraw/zinc/55/26/61/864552661.db2.gz XDOTZMYOGCPJNW-UHFFFAOYSA-N 0 0 410.470 4.065 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000439119570 864555760 /nfs/dbraw/zinc/55/57/60/864555760.db2.gz QVDBBPAISZBXKQ-UHFFFAOYSA-N 0 0 401.850 4.435 20 5 HIBDRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(C(F)(F)F)c(F)c1 ZINC000439127154 864562804 /nfs/dbraw/zinc/56/28/04/864562804.db2.gz AXNORZRUGAHXDI-UHFFFAOYSA-N 0 0 400.284 4.166 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000439152517 864584907 /nfs/dbraw/zinc/58/49/07/864584907.db2.gz MOOUVYVHVCKMDA-JTQLQIEISA-N 0 0 404.785 4.237 20 5 HIBDRN Cc1c(CC(=O)NCCc2cc(Cl)ccc2Br)cccc1[N+](=O)[O-] ZINC000439176388 864604153 /nfs/dbraw/zinc/60/41/53/864604153.db2.gz HGDIZPBKPHXQSL-UHFFFAOYSA-N 0 0 411.683 4.221 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000439177286 864605753 /nfs/dbraw/zinc/60/57/53/864605753.db2.gz KSSZSCJRUCRJHQ-AWEZNQCLSA-N 0 0 411.845 4.394 20 5 HIBDRN Cc1cc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439177688 864606124 /nfs/dbraw/zinc/60/61/24/864606124.db2.gz MDSACYCDDGIAHN-NFBKMPQASA-N 0 0 402.454 4.322 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000439229292 864646823 /nfs/dbraw/zinc/64/68/23/864646823.db2.gz LPZXYTKNRHZXAR-UHFFFAOYSA-N 0 0 422.384 4.408 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)N(c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000439230397 864647438 /nfs/dbraw/zinc/64/74/38/864647438.db2.gz FRKRCRHIVUGHNZ-UHFFFAOYSA-N 0 0 413.293 4.269 20 5 HIBDRN COc1cc(C(=O)N(C)c2ncccn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000439279685 864699163 /nfs/dbraw/zinc/69/91/63/864699163.db2.gz YMCGKQMBXDJOOC-UHFFFAOYSA-N 0 0 414.805 4.116 20 5 HIBDRN COCCCCN(C(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(Br)cn1 ZINC000439291994 864714742 /nfs/dbraw/zinc/71/47/42/864714742.db2.gz CSTLMEUFWSJXFQ-UHFFFAOYSA-N 0 0 422.279 4.134 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000467925026 881799571 /nfs/dbraw/zinc/79/95/71/881799571.db2.gz UEIWMUSVDIMQQK-NHCUHLMSSA-N 0 0 405.410 4.167 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC(c2ccccc2Br)CC1 ZINC000439378149 864809871 /nfs/dbraw/zinc/80/98/71/864809871.db2.gz YUXZFRIUUXHUFN-UHFFFAOYSA-N 0 0 421.266 4.445 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000439401121 864819861 /nfs/dbraw/zinc/81/98/61/864819861.db2.gz HKDQDMJEFWMDLQ-RHSMWYFYSA-N 0 0 411.458 4.490 20 5 HIBDRN O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467931534 881805492 /nfs/dbraw/zinc/80/54/92/881805492.db2.gz YBUXOCSSSNARSL-GXTWGEPZSA-N 0 0 404.875 4.066 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000439428111 864828292 /nfs/dbraw/zinc/82/82/92/864828292.db2.gz WLYLDGKPBWMOJE-QGZVFWFLSA-N 0 0 423.391 4.374 20 5 HIBDRN COC(=O)c1nc([C@@H]2CCCN2C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)sc1C ZINC000467937232 881809006 /nfs/dbraw/zinc/80/90/06/881809006.db2.gz GPQACQCHTNEVGB-AWEZNQCLSA-N 0 0 418.475 4.132 20 5 HIBDRN CC[C@H](C)[C@](C)(O)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000439501774 864855656 /nfs/dbraw/zinc/85/56/56/864855656.db2.gz UBKJPXNBIWEYHD-LHSJRXKWSA-N 0 0 419.909 4.387 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCCC(F)(F)F)c1ccccc1 ZINC000439519242 864861227 /nfs/dbraw/zinc/86/12/27/864861227.db2.gz HQSPNCIJDBKZEI-OAHLLOKOSA-N 0 0 401.772 4.470 20 5 HIBDRN Cc1cccc2oc(CCNC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)nc21 ZINC000439560464 864885578 /nfs/dbraw/zinc/88/55/78/864885578.db2.gz DGHNQVBMIVZIII-UHFFFAOYSA-N 0 0 415.424 4.243 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1F)C1CCCCC1 ZINC000439638283 864966687 /nfs/dbraw/zinc/96/66/87/864966687.db2.gz IVYPJLXRESYOPG-UHFFFAOYSA-N 0 0 413.449 4.342 20 5 HIBDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000439662715 864992038 /nfs/dbraw/zinc/99/20/38/864992038.db2.gz KDSLLSLZNIKTDO-OAHLLOKOSA-N 0 0 410.474 4.234 20 5 HIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1csc(CCc2ccccc2)n1 ZINC000439708909 865046483 /nfs/dbraw/zinc/04/64/83/865046483.db2.gz PJCDXSLCBALSTF-UHFFFAOYSA-N 0 0 418.478 4.109 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000467989952 881836412 /nfs/dbraw/zinc/83/64/12/881836412.db2.gz HQLOOFBNOYCOEK-UHFFFAOYSA-N 0 0 408.376 4.175 20 5 HIBDRN O=C(N[C@@H](C1CCCCC1)C(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000439847373 865157281 /nfs/dbraw/zinc/15/72/81/865157281.db2.gz TUMPOEHIXRCDHU-SFHVURJKSA-N 0 0 413.440 4.439 20 5 HIBDRN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Oc1cccc(F)c1 ZINC000439852647 865162084 /nfs/dbraw/zinc/16/20/84/865162084.db2.gz CTEREIIEASTAJY-CYBMUJFWSA-N 0 0 411.227 4.084 20 5 HIBDRN Cc1cnn(-c2ccccc2)c1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000439858446 865166009 /nfs/dbraw/zinc/16/60/09/865166009.db2.gz RZINLGXERUIRMP-UHFFFAOYSA-N 0 0 408.461 4.288 20 5 HIBDRN Cc1cnn(-c2ccccc2)c1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000439861060 865167514 /nfs/dbraw/zinc/16/75/14/865167514.db2.gz WDXPDZIIEGUYKE-UHFFFAOYSA-N 0 0 420.347 4.282 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000439861741 865170063 /nfs/dbraw/zinc/17/00/63/865170063.db2.gz ZWINQRDKPOPADG-UHFFFAOYSA-N 0 0 404.348 4.289 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCc1ccccn1)Cc1cccnc1 ZINC000439867105 865173964 /nfs/dbraw/zinc/17/39/64/865173964.db2.gz QCQQQPQORBHTBS-UHFFFAOYSA-N 0 0 421.457 4.060 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1 ZINC000439880115 865192195 /nfs/dbraw/zinc/19/21/95/865192195.db2.gz IXPUBHDAOWHONH-UHFFFAOYSA-N 0 0 401.419 4.088 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000439880558 865192203 /nfs/dbraw/zinc/19/22/03/865192203.db2.gz KIYVSWJXVCXQCA-MRXNPFEDSA-N 0 0 409.446 4.040 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000439882318 865193614 /nfs/dbraw/zinc/19/36/14/865193614.db2.gz AFUJOCYRQXIKIN-OAHLLOKOSA-N 0 0 405.476 4.268 20 5 HIBDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000439924269 865228591 /nfs/dbraw/zinc/22/85/91/865228591.db2.gz SNLQJGNSAFOKQN-OAQYLSRUSA-N 0 0 419.909 4.164 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000439932543 865232923 /nfs/dbraw/zinc/23/29/23/865232923.db2.gz OKBGWDHEEXQZMQ-UHFFFAOYSA-N 0 0 407.467 4.016 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)cc1[N+](=O)[O-] ZINC000468044801 881872373 /nfs/dbraw/zinc/87/23/73/881872373.db2.gz MKWJYSHWKDFIDC-GOSISDBHSA-N 0 0 407.417 4.468 20 5 HIBDRN CCNc1cnc(-c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cn1 ZINC000468066938 881884934 /nfs/dbraw/zinc/88/49/34/881884934.db2.gz ZIATZWAVRJCNFG-UHFFFAOYSA-N 0 0 417.429 4.146 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000468071114 881887073 /nfs/dbraw/zinc/88/70/73/881887073.db2.gz MMOCTRXMGPXSAW-SFHVURJKSA-N 0 0 419.547 4.150 20 5 HIBDRN CCc1n[nH]c(C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)c1[N+](=O)[O-] ZINC000440397768 865688800 /nfs/dbraw/zinc/68/88/00/865688800.db2.gz JSOHQIJTNYKVIB-UHFFFAOYSA-N 0 0 414.384 4.006 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(-c2cccnc2)nc2ccccn21 ZINC000440409060 865702759 /nfs/dbraw/zinc/70/27/59/865702759.db2.gz SLLHEBWKRFIQSX-AWEZNQCLSA-N 0 0 419.466 4.424 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(-c2cccnc2)nc2ccccn21 ZINC000440409063 865703429 /nfs/dbraw/zinc/70/34/29/865703429.db2.gz SLLHEBWKRFIQSX-CQSZACIVSA-N 0 0 419.466 4.424 20 5 HIBDRN CCn1ncc2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)c(C)nc21 ZINC000440426144 865726470 /nfs/dbraw/zinc/72/64/70/865726470.db2.gz YERXUJDGBPANJK-UHFFFAOYSA-N 0 0 408.443 4.044 20 5 HIBDRN Cn1c(=O)oc2cc(NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])ccc21 ZINC000440455728 865759322 /nfs/dbraw/zinc/75/93/22/865759322.db2.gz KLSLXTCTZNNNJQ-UHFFFAOYSA-N 0 0 421.434 4.443 20 5 HIBDRN Cc1ccc(Nc2nc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cs2)cc1 ZINC000440494707 865795538 /nfs/dbraw/zinc/79/55/38/865795538.db2.gz NCMTVONEBNOQDQ-INIZCTEOSA-N 0 0 410.503 4.185 20 5 HIBDRN CSc1ccc(NC(=O)Cn2cc(Nc3c(F)cc([N+](=O)[O-])cc3F)cn2)cc1 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ZINC000444480621 868848112 /nfs/dbraw/zinc/84/81/12/868848112.db2.gz KNORSRNDGISNAG-YVEFUNNKSA-N 0 0 420.453 4.310 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000444501206 868861149 /nfs/dbraw/zinc/86/11/49/868861149.db2.gz LBIGICJAMXHHRD-KRWDZBQOSA-N 0 0 403.866 4.258 20 5 HIBDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000444534465 868872432 /nfs/dbraw/zinc/87/24/32/868872432.db2.gz OZYDRXDEWMFTAU-UHFFFAOYSA-N 0 0 413.474 4.169 20 5 HIBDRN CC(C)(CC1CCCCCC1)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000444584120 868890202 /nfs/dbraw/zinc/89/02/02/868890202.db2.gz VLFAXXPPSZAXMJ-UHFFFAOYSA-N 0 0 407.536 4.041 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444606330 868901672 /nfs/dbraw/zinc/90/16/72/868901672.db2.gz GBPUAMUEBKZTNK-UHFFFAOYSA-N 0 0 422.403 4.071 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444609070 868902917 /nfs/dbraw/zinc/90/29/17/868902917.db2.gz MMUCBRZPWXXTSS-UHFFFAOYSA-N 0 0 414.527 4.164 20 5 HIBDRN CC(C)(c1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1)C(F)(F)F ZINC000444628852 868919290 /nfs/dbraw/zinc/91/92/90/868919290.db2.gz FDNFRDXXTKVBPB-UHFFFAOYSA-N 0 0 406.364 4.241 20 5 HIBDRN O=C(CCCc1cc(Cl)sc1Cl)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444631356 868920359 /nfs/dbraw/zinc/92/03/59/868920359.db2.gz LHSHSZCRCMMESM-UHFFFAOYSA-N 0 0 413.286 4.479 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000444637310 868922867 /nfs/dbraw/zinc/92/28/67/868922867.db2.gz GCMHNQPUTMTKRQ-OAHLLOKOSA-N 0 0 413.477 4.462 20 5 HIBDRN O=C(CCCc1cccc(C(F)(F)F)c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444636446 868923720 /nfs/dbraw/zinc/92/37/20/868923720.db2.gz NFIOEWBQTJQGNS-UHFFFAOYSA-N 0 0 406.364 4.129 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000444638629 868925033 /nfs/dbraw/zinc/92/50/33/868925033.db2.gz WQCAFDACKOUWLJ-KBPBESRZSA-N 0 0 405.241 4.198 20 5 HIBDRN C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4nc5cc([N+](=O)[O-])ccc5[nH]4)cc3c2C1 ZINC000444641345 868927157 /nfs/dbraw/zinc/92/71/57/868927157.db2.gz UKUZOGPREOANOA-GFCCVEGCSA-N 0 0 403.442 4.007 20 5 HIBDRN CC[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(C(F)(F)F)c1 ZINC000444642000 868927655 /nfs/dbraw/zinc/92/76/55/868927655.db2.gz WCNSCOSZXLNAKR-CQSZACIVSA-N 0 0 406.364 4.300 20 5 HIBDRN Cn1ccnc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000444659689 868936712 /nfs/dbraw/zinc/93/67/12/868936712.db2.gz QEQJVSHKRDZBGO-INIZCTEOSA-N 0 0 406.442 4.140 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2nc3ccccc3n2C(F)F)cccc1[N+](=O)[O-] ZINC000444661050 868938869 /nfs/dbraw/zinc/93/88/69/868938869.db2.gz HDOWYZFWASVODY-OLZOCXBDSA-N 0 0 417.416 4.326 20 5 HIBDRN C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1nc2ccccc2n1C(F)F ZINC000444670762 868948674 /nfs/dbraw/zinc/94/86/74/868948674.db2.gz FRSRQCMEYCLZDQ-LLVKDONJSA-N 0 0 414.372 4.240 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000444671537 868949913 /nfs/dbraw/zinc/94/99/13/868949913.db2.gz GMCXFQMGHRBTQZ-UHFFFAOYSA-N 0 0 407.495 4.281 20 5 HIBDRN Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000444675620 868952135 /nfs/dbraw/zinc/95/21/35/868952135.db2.gz MOPPGADPUNTFHN-KRWDZBQOSA-N 0 0 422.510 4.499 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NCc2ccccc2N(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000444678743 868954637 /nfs/dbraw/zinc/95/46/37/868954637.db2.gz ZXMWVHAPRNHNLT-INIZCTEOSA-N 0 0 419.485 4.159 20 5 HIBDRN C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2n1C(F)F ZINC000444681252 868956040 /nfs/dbraw/zinc/95/60/40/868956040.db2.gz ZBSIVDCWPKCONC-LLVKDONJSA-N 0 0 414.372 4.240 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000444696825 868962548 /nfs/dbraw/zinc/96/25/48/868962548.db2.gz WQRSCJZWVSAENC-UHFFFAOYSA-N 0 0 406.280 4.045 20 5 HIBDRN O=C(NCCCSc1ccc(F)cc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444825812 869034732 /nfs/dbraw/zinc/03/47/32/869034732.db2.gz KOQWSLFAOPRMCJ-UHFFFAOYSA-N 0 0 419.297 4.470 20 5 HIBDRN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444828299 869036174 /nfs/dbraw/zinc/03/61/74/869036174.db2.gz MDQHIMZTQXCMAZ-HXUWFJFHSA-N 0 0 417.534 4.310 20 5 HIBDRN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444831337 869038350 /nfs/dbraw/zinc/03/83/50/869038350.db2.gz CADNAEZVYLGQSR-UHFFFAOYSA-N 0 0 408.461 4.139 20 5 HIBDRN CCCOc1ccc(Cl)cc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444849669 869053281 /nfs/dbraw/zinc/05/32/81/869053281.db2.gz NWCWWNGSAHHSNL-UHFFFAOYSA-N 0 0 403.826 4.235 20 5 HIBDRN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000444861122 869061939 /nfs/dbraw/zinc/06/19/39/869061939.db2.gz RRLYIDFLRWAVCS-UHFFFAOYSA-N 0 0 420.472 4.066 20 5 HIBDRN Cc1cn2c(nc(C)c2CN(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)s1 ZINC000444862688 869062774 /nfs/dbraw/zinc/06/27/74/869062774.db2.gz WNJSKOBOSBZPAW-UHFFFAOYSA-N 0 0 416.506 4.280 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCn3c(cc4c3cccc4Cl)C2)c(Br)c1 ZINC000444865763 869065548 /nfs/dbraw/zinc/06/55/48/869065548.db2.gz RCQKMGDREKROIF-UHFFFAOYSA-N 0 0 407.655 4.381 20 5 HIBDRN Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000444889208 869078282 /nfs/dbraw/zinc/07/82/82/869078282.db2.gz YJGHOAMHUHCBLG-KRWDZBQOSA-N 0 0 410.396 4.308 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000444900081 869087349 /nfs/dbraw/zinc/08/73/49/869087349.db2.gz RVNKKGLHMUGKOK-ZDUSSCGKSA-N 0 0 416.503 4.350 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000444917458 869102212 /nfs/dbraw/zinc/10/22/12/869102212.db2.gz CNNZWHNYSMRZLJ-UHFFFAOYSA-N 0 0 412.377 4.252 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000444990785 869147995 /nfs/dbraw/zinc/14/79/95/869147995.db2.gz RJOWWABRPYURFV-HXUWFJFHSA-N 0 0 411.437 4.341 20 5 HIBDRN COc1cc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c2ccccc2n1 ZINC000445005237 869158972 /nfs/dbraw/zinc/15/89/72/869158972.db2.gz RCRSGJOKLOBSIQ-UHFFFAOYSA-N 0 0 409.445 4.168 20 5 HIBDRN C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(Cl)cccc1Cl ZINC000445022383 869171373 /nfs/dbraw/zinc/17/13/73/869171373.db2.gz IIHBDSQIYHHAGA-JTQLQIEISA-N 0 0 422.272 4.381 20 5 HIBDRN COc1ccc(C[C@H](C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000445130077 869232994 /nfs/dbraw/zinc/23/29/94/869232994.db2.gz ASNRDCMUCSPLIV-INIZCTEOSA-N 0 0 400.478 4.299 20 5 HIBDRN CC(C)(C)OC(=O)C1CCC(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000445130506 869233102 /nfs/dbraw/zinc/23/31/02/869233102.db2.gz BSRYYMZQDSSDSU-UHFFFAOYSA-N 0 0 420.509 4.312 20 5 HIBDRN Cc1cn(C2CCCCC2)nc1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445159031 869248326 /nfs/dbraw/zinc/24/83/26/869248326.db2.gz MJXHIAGEPXTGSH-UHFFFAOYSA-N 0 0 400.482 4.944 20 5 HIBDRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445164649 869251473 /nfs/dbraw/zinc/25/14/73/869251473.db2.gz VVZOUWBOJYPFLG-CTNGQTDRSA-N 0 0 419.437 4.075 20 5 HIBDRN O=C(NCc1ccc(Br)cc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000445185436 869264761 /nfs/dbraw/zinc/26/47/61/869264761.db2.gz QBGJRBWFBMKGBV-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN O=C(NCCCCOCc1ccccc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445198429 869271631 /nfs/dbraw/zinc/27/16/31/869271631.db2.gz VRIXUGGDJYOEKF-UHFFFAOYSA-N 0 0 400.478 4.408 20 5 HIBDRN CCC[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1F ZINC000445215635 869280123 /nfs/dbraw/zinc/28/01/23/869280123.db2.gz RASIMRFFNZXRIC-HNNXBMFYSA-N 0 0 403.389 4.090 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)c2)oc1C ZINC000445237899 869294132 /nfs/dbraw/zinc/29/41/32/869294132.db2.gz OCPKDJACCHWSHU-UHFFFAOYSA-N 0 0 406.402 4.065 20 5 HIBDRN Cc1ccc(Sc2ccc(-c3nc(CC(=O)NC(C)C)no3)cc2[N+](=O)[O-])cc1 ZINC000445275162 869322638 /nfs/dbraw/zinc/32/26/38/869322638.db2.gz PAEAHSIJEBIXCI-UHFFFAOYSA-N 0 0 412.471 4.172 20 5 HIBDRN COc1ccc(NC(=O)Cc2noc([C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000445276442 869323809 /nfs/dbraw/zinc/32/38/09/869323809.db2.gz FEIIVKURKQSNNJ-GFCCVEGCSA-N 0 0 414.443 4.021 20 5 HIBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)Nc2cccc3ncccc32)no1 ZINC000445281901 869331478 /nfs/dbraw/zinc/33/14/78/869331478.db2.gz MLKCUWHLFZEOCT-OWBHPGMISA-N 0 0 415.409 4.268 20 5 HIBDRN COc1cccc(NC(=O)Cc2noc([C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000445287778 869338710 /nfs/dbraw/zinc/33/87/10/869338710.db2.gz ZRHNUDDEQGLRFE-GFCCVEGCSA-N 0 0 414.443 4.021 20 5 HIBDRN C[C@@H](NC(=O)Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000445296138 869348848 /nfs/dbraw/zinc/34/88/48/869348848.db2.gz MNADSUGEZGSMGZ-LLVKDONJSA-N 0 0 420.347 4.084 20 5 HIBDRN CCc1cccc(CC)c1NC(=O)Cc1noc(/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000445309735 869363418 /nfs/dbraw/zinc/36/34/18/869363418.db2.gz JYOVKDKTYPWASX-VAWYXSNFSA-N 0 0 406.442 4.454 20 5 HIBDRN Cc1cc(-c2nc(CC(=O)Nc3cc(Cl)ccc3Cl)no2)ccc1[N+](=O)[O-] ZINC000445331169 869392323 /nfs/dbraw/zinc/39/23/23/869392323.db2.gz IWBWDIHAMMUWNI-UHFFFAOYSA-N 0 0 407.213 4.441 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1-c1nc(CC(=O)Nc2cc(Cl)ccc2Cl)no1 ZINC000445332978 869395095 /nfs/dbraw/zinc/39/50/95/869395095.db2.gz JSZXPNLBXGRKME-UHFFFAOYSA-N 0 0 407.213 4.441 20 5 HIBDRN Cc1ccc(NC(=O)Cc2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)c(C)c1 ZINC000445349735 869414609 /nfs/dbraw/zinc/41/46/09/869414609.db2.gz KWKJNZUNFHZVIZ-UHFFFAOYSA-N 0 0 400.822 4.020 20 5 HIBDRN Cc1cc(-c2nc(CC(=O)Nc3ccc(Cl)cc3Cl)no2)ccc1[N+](=O)[O-] ZINC000445365284 869431993 /nfs/dbraw/zinc/43/19/93/869431993.db2.gz BXPFJRKGUBWPJW-UHFFFAOYSA-N 0 0 407.213 4.441 20 5 HIBDRN Cc1c(Cc2nc(CC(=O)Nc3c(Cl)cccc3Cl)no2)cccc1[N+](=O)[O-] ZINC000445374031 869450116 /nfs/dbraw/zinc/45/01/16/869450116.db2.gz UMDKANCNXKEXDL-UHFFFAOYSA-N 0 0 421.240 4.365 20 5 HIBDRN COc1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)cc1[N+](=O)[O-] ZINC000445379197 869460621 /nfs/dbraw/zinc/46/06/21/869460621.db2.gz BDDAHIMZYSLZSH-UHFFFAOYSA-N 0 0 423.212 4.141 20 5 HIBDRN O=C(Cc1noc(CCc2cccc([N+](=O)[O-])c2)n1)Nc1c(Cl)cccc1Cl ZINC000445380892 869463620 /nfs/dbraw/zinc/46/36/20/869463620.db2.gz PGZSXJYBZXYXKE-UHFFFAOYSA-N 0 0 421.240 4.251 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc(-c3ccc(-c4nnco4)cc3)no2)c2ccccc12 ZINC000445389673 869475940 /nfs/dbraw/zinc/47/59/40/869475940.db2.gz DEPOJTKRVSKQSE-UHFFFAOYSA-N 0 0 421.416 4.303 20 5 HIBDRN Cc1ccc(F)c(-c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)c1 ZINC000445446817 869527781 /nfs/dbraw/zinc/52/77/81/869527781.db2.gz QBAIPPNFICXJIF-UHFFFAOYSA-N 0 0 412.406 4.039 20 5 HIBDRN O=C(NCc1ccc(-c2ccco2)cc1F)c1cc([N+](=O)[O-])ccc1SCCO ZINC000468369015 882310536 /nfs/dbraw/zinc/31/05/36/882310536.db2.gz SSGWKHSGCADAHF-UHFFFAOYSA-N 0 0 416.430 4.008 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(-c3cnn(-c4ccc(Br)cc4)c3)n2)s1 ZINC000445468729 869543043 /nfs/dbraw/zinc/54/30/43/869543043.db2.gz FHRBWZOHQMKFNA-UHFFFAOYSA-N 0 0 418.232 4.322 20 5 HIBDRN COc1ccc(-n2ccnc2SCc2nc(-c3ccc([N+](=O)[O-])s3)no2)cc1 ZINC000445472239 869545082 /nfs/dbraw/zinc/54/50/82/869545082.db2.gz QCEYAJWSJYCWAE-UHFFFAOYSA-N 0 0 415.456 4.193 20 5 HIBDRN O=C(N[C@@H](Cc1nc(-c2ccc([N+](=O)[O-])s2)no1)c1ccccc1)c1ccccc1 ZINC000445473220 869546663 /nfs/dbraw/zinc/54/66/63/869546663.db2.gz RJWMMPOKYOAASL-INIZCTEOSA-N 0 0 420.450 4.420 20 5 HIBDRN Cc1ccc(S(=O)(=O)C2(c3nc(-c4ccc([N+](=O)[O-])s4)no3)CCCC2)cc1 ZINC000445474395 869547525 /nfs/dbraw/zinc/54/75/25/869547525.db2.gz VIWDCQJWNVCDBC-UHFFFAOYSA-N 0 0 419.484 4.258 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CCCc3nc(-c4ccc(F)cc4)no3)n2)s1 ZINC000445481570 869553438 /nfs/dbraw/zinc/55/34/38/869553438.db2.gz LZPQKMBLUXSHKR-UHFFFAOYSA-N 0 0 401.379 4.071 20 5 HIBDRN CCC[C@H](NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)c1ccc(F)cc1F ZINC000468369557 882312726 /nfs/dbraw/zinc/31/27/26/882312726.db2.gz YJNDRKVBLGXAIV-SFHVURJKSA-N 0 0 415.400 4.033 20 5 HIBDRN CCC[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000468377168 882320013 /nfs/dbraw/zinc/32/00/13/882320013.db2.gz LQEAKHCNLXYQCY-KRWDZBQOSA-N 0 0 401.369 4.398 20 5 HIBDRN Cn1cnnc1Sc1ccc(-c2nc(-c3coc4ccccc34)no2)cc1[N+](=O)[O-] ZINC000445570645 869630978 /nfs/dbraw/zinc/63/09/78/869630978.db2.gz HMDNNJYUBRAVSF-UHFFFAOYSA-N 0 0 420.410 4.338 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccc(OCc3ccc(Cl)cc3)c2)n1 ZINC000445575413 869634997 /nfs/dbraw/zinc/63/49/97/869634997.db2.gz RJJLJTFNHHLTJN-UHFFFAOYSA-N 0 0 411.805 4.278 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C/c3ccc(OC(F)F)cc3)n2)c1 ZINC000445576104 869636112 /nfs/dbraw/zinc/63/61/12/869636112.db2.gz VNAXMMLTELZBJO-RUDMXATFSA-N 0 0 403.341 4.349 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc(-c3ccccc3)nc3cc(F)ccc32)n1 ZINC000445577035 869636350 /nfs/dbraw/zinc/63/63/50/869636350.db2.gz YUIQFZWDVRCFEY-UHFFFAOYSA-N 0 0 416.372 4.400 20 5 HIBDRN Cc1c(Br)cc(-c2nc(-c3ccc4cc[nH]c4n3)no2)cc1[N+](=O)[O-] ZINC000445580753 869639423 /nfs/dbraw/zinc/63/94/23/869639423.db2.gz YRSAIXUWBSPDKJ-UHFFFAOYSA-N 0 0 400.192 4.259 20 5 HIBDRN CCn1c(SCc2cncn2Cc2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000445600918 869665385 /nfs/dbraw/zinc/66/53/85/869665385.db2.gz OXHJNSZCLLLYOH-UHFFFAOYSA-N 0 0 420.498 4.410 20 5 HIBDRN Cc1cc(Cl)ccc1Cc1noc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000445601464 869665450 /nfs/dbraw/zinc/66/54/50/869665450.db2.gz PDUXUSGWSQFBSX-LBPRGKRZSA-N 0 0 400.822 4.021 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(-c4cc(F)c(F)c(F)c4)cc3)n2)n1C ZINC000445605504 869671239 /nfs/dbraw/zinc/67/12/39/869671239.db2.gz RSPQLVXAACWUAF-UHFFFAOYSA-N 0 0 415.331 4.438 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(/C=C/c3ccc(OCc4ccccc4)cc3)n2)n1C ZINC000445621553 869686153 /nfs/dbraw/zinc/68/61/53/869686153.db2.gz VJCKNKLGFLXRJT-JLHYYAGUSA-N 0 0 417.425 4.436 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc4noc(-c5ccc(F)cc5)c4c3)n2)n1C ZINC000445624446 869689496 /nfs/dbraw/zinc/68/94/96/869689496.db2.gz RKJAFMRZMMHGAZ-UHFFFAOYSA-N 0 0 420.360 4.301 20 5 HIBDRN Cc1nc2sccn2c1-c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000445634296 869701971 /nfs/dbraw/zinc/70/19/71/869701971.db2.gz GKQUSCWIDSLFLQ-UHFFFAOYSA-N 0 0 410.440 4.453 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000445666786 869734863 /nfs/dbraw/zinc/73/48/63/869734863.db2.gz PPRIJWFILKECLU-QHCPKHFHSA-N 0 0 400.438 4.310 20 5 HIBDRN COc1ccc(C(C)(C)c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1OC ZINC000445688314 869758202 /nfs/dbraw/zinc/75/82/02/869758202.db2.gz CYIOPDGKSBLYDS-UHFFFAOYSA-N 0 0 408.414 4.469 20 5 HIBDRN C/C(=C\c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1)c1ccccc1Cl ZINC000445696949 869763500 /nfs/dbraw/zinc/76/35/00/869763500.db2.gz LPBVSQYWQMEMPJ-JLHYYAGUSA-N 0 0 412.833 4.051 20 5 HIBDRN CC[C@H](NC(=O)Cc1noc(/C(C)=C\c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000445729198 869786980 /nfs/dbraw/zinc/78/69/80/869786980.db2.gz 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COc1cc(Cc2noc(/C=C\c3nc4ccccc4s3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445822780 869844386 /nfs/dbraw/zinc/84/43/86/869844386.db2.gz WQYSKMIDJMXTTO-FPLPWBNLSA-N 0 0 424.438 4.366 20 5 HIBDRN COc1cc(Cc2noc(/C=C/c3cn(C)c4ccccc34)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445826135 869847434 /nfs/dbraw/zinc/84/74/34/869847434.db2.gz VSSUDOIQPZNGDB-CMDGGOBGSA-N 0 0 420.425 4.248 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000468409916 882351711 /nfs/dbraw/zinc/35/17/11/882351711.db2.gz ADAJJPHYBYAMHQ-UHFFFAOYSA-N 0 0 403.378 4.375 20 5 HIBDRN CN(Cc1cc2ccccc2o1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445952856 869918792 /nfs/dbraw/zinc/91/87/92/869918792.db2.gz LWQHBQMSZAPNMB-UHFFFAOYSA-N 0 0 403.232 4.305 20 5 HIBDRN O=C1CN(Cc2ccc(F)cc2)C(=O)N1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000445972767 869941712 /nfs/dbraw/zinc/94/17/12/869941712.db2.gz YYJDKESXOHSPLZ-UHFFFAOYSA-N 0 0 421.384 4.495 20 5 HIBDRN COc1ccc([C@@H]2NC(=O)N(c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 ZINC000445983383 869947787 /nfs/dbraw/zinc/94/77/87/869947787.db2.gz YPFNKMSNYBNBHD-FQEVSTJZSA-N 0 0 419.393 4.193 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc([C@@H]3CSc4ccccc4O3)no2)ccc1N1CCCC1 ZINC000446012845 869980493 /nfs/dbraw/zinc/98/04/93/869980493.db2.gz RWQXBIHBYFZQEU-KRWDZBQOSA-N 0 0 410.455 4.471 20 5 HIBDRN COC(=O)c1cc2cc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)ccc2o1 ZINC000446023418 869989920 /nfs/dbraw/zinc/98/99/20/869989920.db2.gz DLZHCBHQEFKMLA-UHFFFAOYSA-N 0 0 412.401 4.466 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000446026233 869992147 /nfs/dbraw/zinc/99/21/47/869992147.db2.gz PKNMGQGOSOQKOS-UHFFFAOYSA-N 0 0 400.438 4.231 20 5 HIBDRN Cc1nc2c(s1)[C@H](N(C)C(=O)c1sc(Br)cc1[N+](=O)[O-])CCC2 ZINC000446040518 870002188 /nfs/dbraw/zinc/00/21/88/870002188.db2.gz ANHNAKZGAJKREZ-SECBINFHSA-N 0 0 416.322 4.333 20 5 HIBDRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446047809 870010968 /nfs/dbraw/zinc/01/09/68/870010968.db2.gz RQEVCTUAKQYKHD-UHFFFAOYSA-N 0 0 417.303 4.480 20 5 HIBDRN CC1(C)CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@@H]1O ZINC000446059611 870021417 /nfs/dbraw/zinc/02/14/17/870021417.db2.gz JKQGYXGVACXDCQ-OALUTQOASA-N 0 0 417.893 4.021 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCc1c[nH]c2ccccc12 ZINC000446064002 870023463 /nfs/dbraw/zinc/02/34/63/870023463.db2.gz WOWGFMRHFPGFRF-UHFFFAOYSA-N 0 0 416.275 4.130 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1ccncc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000446079309 870028274 /nfs/dbraw/zinc/02/82/74/870028274.db2.gz IZMXTUFMTKFHMT-OAHLLOKOSA-N 0 0 418.272 4.333 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000446088409 870034684 /nfs/dbraw/zinc/03/46/84/870034684.db2.gz APGDBCVIWDHRLP-UHFFFAOYSA-N 0 0 401.422 4.358 20 5 HIBDRN COc1ccc(C)c2c1N(C(=O)c1sc(Br)cc1[N+](=O)[O-])CCC2 ZINC000446093789 870039938 /nfs/dbraw/zinc/03/99/38/870039938.db2.gz FRXLUEQWESZPFO-UHFFFAOYSA-N 0 0 411.277 4.329 20 5 HIBDRN O=C(N[C@H](c1nccs1)c1ccccc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000446092879 870040418 /nfs/dbraw/zinc/04/04/18/870040418.db2.gz CBLKKPAMKHDUFJ-LBPRGKRZSA-N 0 0 424.301 4.395 20 5 HIBDRN CC[C@@](C)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)[O-] ZINC000446148029 870088666 /nfs/dbraw/zinc/08/86/66/870088666.db2.gz SLGQSCFVAXWAQL-KRWDZBQOSA-N 0 0 411.252 4.208 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000446150380 870091234 /nfs/dbraw/zinc/09/12/34/870091234.db2.gz WUPOOJJNYCLPKJ-UHFFFAOYSA-N 0 0 418.453 4.488 20 5 HIBDRN COc1cccc(NC2CCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000446168229 870107902 /nfs/dbraw/zinc/10/79/02/870107902.db2.gz PJNPGKPVOWXMKP-UHFFFAOYSA-N 0 0 403.866 4.282 20 5 HIBDRN CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000446187559 870122090 /nfs/dbraw/zinc/12/20/90/870122090.db2.gz GHBBZJCSXGIEBN-UHFFFAOYSA-N 0 0 409.255 4.133 20 5 HIBDRN C[C@]1(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000446297811 870225013 /nfs/dbraw/zinc/22/50/13/870225013.db2.gz JEOWSCOZCQYMJO-HXUWFJFHSA-N 0 0 403.866 4.159 20 5 HIBDRN COc1cccc(C2(NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CCOCC2)c1F ZINC000446311369 870235142 /nfs/dbraw/zinc/23/51/42/870235142.db2.gz JEKLMOJSHGGCEF-UHFFFAOYSA-N 0 0 417.437 4.187 20 5 HIBDRN O=C(N[C@@H]1CCCc2sccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000468449718 882387421 /nfs/dbraw/zinc/38/74/21/882387421.db2.gz MHHRKQAMCAJMHI-GOSISDBHSA-N 0 0 401.488 4.287 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000446351324 870260774 /nfs/dbraw/zinc/26/07/74/870260774.db2.gz XINWHCSXDKFKKX-RXVVDRJESA-N 0 0 420.868 4.199 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cc1[N+](=O)[O-] ZINC000446425617 870339541 /nfs/dbraw/zinc/33/95/41/870339541.db2.gz LFJAYKRZNPQSHJ-UHFFFAOYSA-N 0 0 423.444 4.494 20 5 HIBDRN CC(=O)Nc1ccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000446428962 870346745 /nfs/dbraw/zinc/34/67/45/870346745.db2.gz BYYVHTCMSJMUDD-UHFFFAOYSA-N 0 0 419.437 4.313 20 5 HIBDRN CC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000446432754 870351338 /nfs/dbraw/zinc/35/13/38/870351338.db2.gz LEDHNQKERHIJON-UHFFFAOYSA-N 0 0 405.410 4.385 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000446435360 870353885 /nfs/dbraw/zinc/35/38/85/870353885.db2.gz XUSZBVSZRZHSSY-LJQANCHMSA-N 0 0 410.861 4.079 20 5 HIBDRN CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2)no1 ZINC000446436162 870354989 /nfs/dbraw/zinc/35/49/89/870354989.db2.gz MASORLQQQWNIOT-UHFFFAOYSA-N 0 0 420.469 4.432 20 5 HIBDRN O=C(CCCOc1ccccc1Br)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446441403 870360577 /nfs/dbraw/zinc/36/05/77/870360577.db2.gz XHBNHYRKNKIOKF-UHFFFAOYSA-N 0 0 419.275 4.101 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000446480978 870393691 /nfs/dbraw/zinc/39/36/91/870393691.db2.gz DWHQTWXOEZKSCJ-CQSZACIVSA-N 0 0 404.417 4.092 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000446483832 870396389 /nfs/dbraw/zinc/39/63/89/870396389.db2.gz FCQLDYXOLULWAC-UHFFFAOYSA-N 0 0 404.426 4.477 20 5 HIBDRN COCCCN(CCc1ccc(OC)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000446485842 870398958 /nfs/dbraw/zinc/39/89/58/870398958.db2.gz RXXPBBHZCSXDSL-UHFFFAOYSA-N 0 0 401.463 4.025 20 5 HIBDRN CCO[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 ZINC000446495819 870410640 /nfs/dbraw/zinc/41/06/40/870410640.db2.gz PTAQRVRJKRUYGM-FQEVSTJZSA-N 0 0 422.431 4.467 20 5 HIBDRN Cc1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c(OCC(F)(F)F)c1 ZINC000446514271 870431808 /nfs/dbraw/zinc/43/18/08/870431808.db2.gz KBGURDXQAYZWQO-UHFFFAOYSA-N 0 0 407.348 4.256 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000446547087 870460247 /nfs/dbraw/zinc/46/02/47/870460247.db2.gz SNEIYPSFXYGZHC-HXUWFJFHSA-N 0 0 406.385 4.009 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N(C)Cc3cc(C(C)(C)C)n[nH]3)cc2[N+](=O)[O-])CC1 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CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1CCCOCC1 ZINC000447198264 871091254 /nfs/dbraw/zinc/09/12/54/871091254.db2.gz HBBRALLMDGMJKU-ZDUSSCGKSA-N 0 0 418.471 4.255 20 5 HIBDRN O=C(NCCCCCO)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000468496012 882484697 /nfs/dbraw/zinc/48/46/97/882484697.db2.gz KTVMLUMJUXLQPT-UHFFFAOYSA-N 0 0 417.512 4.248 20 5 HIBDRN COc1ccc(NC(=O)CNc2ccc(Cl)c(Br)c2)c([N+](=O)[O-])c1 ZINC000447342938 871242024 /nfs/dbraw/zinc/24/20/24/871242024.db2.gz LIZYSLRAFKLZGV-UHFFFAOYSA-N 0 0 414.643 4.070 20 5 HIBDRN O=C(CNc1ccc(Cl)c(Br)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000447342965 871243020 /nfs/dbraw/zinc/24/30/20/871243020.db2.gz LQSWVJSGKQAPGS-UHFFFAOYSA-N 0 0 410.655 4.012 20 5 HIBDRN COCCN(Cc1ccco1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000447350377 871253139 /nfs/dbraw/zinc/25/31/39/871253139.db2.gz RONWPEUAULMZIA-UHFFFAOYSA-N 0 0 410.426 4.056 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)n1cccn1 ZINC000447583003 871486859 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404.398 4.248 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCO[C@@H](c2ccsc2)C1 ZINC000447672827 871604283 /nfs/dbraw/zinc/60/42/83/871604283.db2.gz VXENGPQTABXEQJ-GFCCVEGCSA-N 0 0 409.336 4.283 20 5 HIBDRN O=C(CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])Nc1ccccc1 ZINC000447674807 871604808 /nfs/dbraw/zinc/60/48/08/871604808.db2.gz HCTCXXVKZXNOIF-UHFFFAOYSA-N 0 0 404.295 4.085 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccc(OCC2CC2)nc1 ZINC000447674496 871605741 /nfs/dbraw/zinc/60/57/41/871605741.db2.gz DJJIRSDSIBAHOH-UHFFFAOYSA-N 0 0 418.322 4.440 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCO[C@@H](c2cccs2)C1 ZINC000447677659 871609414 /nfs/dbraw/zinc/60/94/14/871609414.db2.gz VRWQKUZTAORLKN-LLVKDONJSA-N 0 0 409.336 4.283 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccc2c(c1)OCCO2 ZINC000447678188 871610894 /nfs/dbraw/zinc/61/08/94/871610894.db2.gz YHSXAQMPPLYUHM-UHFFFAOYSA-N 0 0 405.279 4.027 20 5 HIBDRN 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CCCc1c(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cnn1-c1ccccc1 ZINC000447887579 871802306 /nfs/dbraw/zinc/80/23/06/871802306.db2.gz DXZHDMIDQOPUJC-UHFFFAOYSA-N 0 0 404.430 4.395 20 5 HIBDRN Cc1cc(C[C@H](C)Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000448057072 871885668 /nfs/dbraw/zinc/88/56/68/871885668.db2.gz VHXVGTIXVXKLJD-INIZCTEOSA-N 0 0 421.501 4.270 20 5 HIBDRN O=[N+]([O-])c1cnn(CCSCCOc2ccc(Cl)cc2Br)c1 ZINC000448058038 871886250 /nfs/dbraw/zinc/88/62/50/871886250.db2.gz IIVUKICFUNNRBN-UHFFFAOYSA-N 0 0 406.689 4.019 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000468532825 882558345 /nfs/dbraw/zinc/55/83/45/882558345.db2.gz XSCCNGVQYXIXNT-ZDUSSCGKSA-N 0 0 408.376 4.472 20 5 HIBDRN O=C1[C@@H](Sc2ccc(Br)cc2[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000448104897 871952234 /nfs/dbraw/zinc/95/22/34/871952234.db2.gz LOCZBYVUZUQAPY-NSHDSACASA-N 0 0 413.215 4.003 20 5 HIBDRN Cc1ccc(S(=O)(=O)c2ccc(CSc3ccc([N+](=O)[O-])cn3)cc2)cc1 ZINC000448104762 871952393 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O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCc2cccc(F)c21 ZINC000461114924 874040062 /nfs/dbraw/zinc/04/00/62/874040062.db2.gz UOJMNLNUYOXUNB-UHFFFAOYSA-N 0 0 405.234 4.182 20 5 HIBDRN C[C@H](c1cccs1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000461162787 874123148 /nfs/dbraw/zinc/12/31/48/874123148.db2.gz PAZOTFOZSVCXFP-PBHICJAKSA-N 0 0 413.503 4.291 20 5 HIBDRN O=C(NCc1ncc(-c2ccccc2)cn1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000461189131 874182260 /nfs/dbraw/zinc/18/22/60/874182260.db2.gz BAKAWGOJYNEZMT-UHFFFAOYSA-N 0 0 402.332 4.001 20 5 HIBDRN CO[C@@H]1CCOc2c(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cccc21 ZINC000468679546 882807397 /nfs/dbraw/zinc/80/73/97/882807397.db2.gz JKAWQEOKTVSNQO-HXUWFJFHSA-N 0 0 400.434 4.404 20 5 HIBDRN CO[C@@H]1CCOc2c(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cccc21 ZINC000468679876 882807500 /nfs/dbraw/zinc/80/75/00/882807500.db2.gz LGSIFPRAFVSVOS-OAHLLOKOSA-N 0 0 407.220 4.080 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1cncc(C(F)(F)F)c1 ZINC000461256106 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XCCHXZLYDOCOBV-UHFFFAOYSA-N 0 0 410.817 4.335 20 5 HIBDRN CCCCOc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1OC ZINC000468698212 882819266 /nfs/dbraw/zinc/81/92/66/882819266.db2.gz GNZIZCPDNLBQRP-CQSZACIVSA-N 0 0 422.503 4.359 20 5 HIBDRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461367992 874370210 /nfs/dbraw/zinc/37/02/10/874370210.db2.gz VJFHNKNEVGCEFP-GJZGRUSLSA-N 0 0 413.503 4.149 20 5 HIBDRN O=C(Nc1cccc(N2CCC2=O)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000468714176 882825707 /nfs/dbraw/zinc/82/57/07/882825707.db2.gz GQJCWFWHOUWKOI-UHFFFAOYSA-N 0 0 416.437 4.196 20 5 HIBDRN C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000461402569 874413980 /nfs/dbraw/zinc/41/39/80/874413980.db2.gz MWBZSTGDDGGNJR-PXNSSMCTSA-N 0 0 404.507 4.472 20 5 HIBDRN C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000461402573 874414335 /nfs/dbraw/zinc/41/43/35/874414335.db2.gz MWBZSTGDDGGNJR-YLJYHZDGSA-N 0 0 404.507 4.472 20 5 HIBDRN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461409211 874422117 /nfs/dbraw/zinc/42/21/17/874422117.db2.gz UTBMVORZJBGCGP-UHFFFAOYSA-N 0 0 410.401 4.348 20 5 HIBDRN O=C([C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461411441 874425432 /nfs/dbraw/zinc/42/54/32/874425432.db2.gz YTAIMNWQVBITHP-IRXDYDNUSA-N 0 0 406.360 4.138 20 5 HIBDRN O=C(C(Cc1ccccc1)Cc1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461409884 874425484 /nfs/dbraw/zinc/42/54/84/874425484.db2.gz WJRSSWLFOPAFOB-UHFFFAOYSA-N 0 0 416.477 4.417 20 5 HIBDRN Cc1n[nH]c(C(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000461453282 874513013 /nfs/dbraw/zinc/51/30/13/874513013.db2.gz ZOTQNNRNWSKJPK-HNNXBMFYSA-N 0 0 406.776 4.077 20 5 HIBDRN CC(C)[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c2ccccc21 ZINC000468745120 882839896 /nfs/dbraw/zinc/83/98/96/882839896.db2.gz BGJVOKQRKJRRAI-WOJBJXKFSA-N 0 0 409.486 4.046 20 5 HIBDRN Cc1ccc([C@H](C)N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)cc1 ZINC000461536303 874622613 /nfs/dbraw/zinc/62/26/13/874622613.db2.gz VRQFWFLLRVCMKT-ROUUACIJSA-N 0 0 421.501 4.396 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)[C@H]1c1ccccc1 ZINC000461561094 874654785 /nfs/dbraw/zinc/65/47/85/874654785.db2.gz MFZMFXYRUVZUNQ-LLGFUMIMSA-N 0 0 419.485 4.087 20 5 HIBDRN CC(C)[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)CC1 ZINC000461566848 874665144 /nfs/dbraw/zinc/66/51/44/874665144.db2.gz JFBRAKIVEHDJHQ-QZTJIDSGSA-N 0 0 413.522 4.152 20 5 HIBDRN CC(C)CC[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461578616 874684580 /nfs/dbraw/zinc/68/45/80/874684580.db2.gz CLBAQLMCMMPGFE-PKOBYXMFSA-N 0 0 413.522 4.295 20 5 HIBDRN Cc1cc2c(cc1C)N(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C[C@@H]1CCOC1)CC2 ZINC000461614408 874760385 /nfs/dbraw/zinc/76/03/85/874760385.db2.gz RQBRWXWTDPSBIS-KRWDZBQOSA-N 0 0 419.485 4.201 20 5 HIBDRN CC(C)N(Cc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 ZINC000461684830 874835282 /nfs/dbraw/zinc/83/52/82/874835282.db2.gz KDXPDHMSKKGETQ-IBGZPJMESA-N 0 0 421.501 4.305 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCOC1 ZINC000461707174 874857061 /nfs/dbraw/zinc/85/70/61/874857061.db2.gz VKJRBHHLSKQFTQ-SFHVURJKSA-N 0 0 415.538 4.226 20 5 HIBDRN CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H]2CC)cc([N+](=O)[O-])c1 ZINC000461748062 874889483 /nfs/dbraw/zinc/88/94/83/874889483.db2.gz GNOKPYFJLVEGMC-DJDHSFSDSA-N 0 0 401.507 4.116 20 5 HIBDRN CNS(=O)(=O)c1cccc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000461777031 874902448 /nfs/dbraw/zinc/90/24/48/874902448.db2.gz PRQYICYVRMWHLT-LLVKDONJSA-N 0 0 417.409 4.003 20 5 HIBDRN Cc1cc(NCc2cccc(C(=O)N3CCOCC3)c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461786951 874906129 /nfs/dbraw/zinc/90/61/29/874906129.db2.gz ONEOMUQFEFUVEF-UHFFFAOYSA-N 0 0 423.391 4.007 20 5 HIBDRN C[C@H]1CC2(CCC2)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 ZINC000461835295 874968849 /nfs/dbraw/zinc/96/88/49/874968849.db2.gz RKYHGJUYSQLHSI-QFBILLFUSA-N 0 0 411.506 4.191 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000461888433 875037985 /nfs/dbraw/zinc/03/79/85/875037985.db2.gz YVJBMPYCKJNANH-UHFFFAOYSA-N 0 0 423.853 4.006 20 5 HIBDRN C[NH+](C)[C@H]1CCOc2c(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cccc21 ZINC000468854225 882890778 /nfs/dbraw/zinc/89/07/78/882890778.db2.gz DYSITMPHNZHWTO-SFHVURJKSA-N 0 0 424.482 4.356 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000461922457 875063371 /nfs/dbraw/zinc/06/33/71/875063371.db2.gz WPCNTDJRCZXYSW-UHFFFAOYSA-N 0 0 405.332 4.241 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000468855906 882892473 /nfs/dbraw/zinc/89/24/73/882892473.db2.gz GLHYAWQUEIFHOS-CQSZACIVSA-N 0 0 410.499 4.319 20 5 HIBDRN Cc1cc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461952564 875082660 /nfs/dbraw/zinc/08/26/60/875082660.db2.gz BYNATSIBLPSKSG-CYBMUJFWSA-N 0 0 401.429 4.301 20 5 HIBDRN CCS(=O)(=O)c1cccc(CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000461956719 875085715 /nfs/dbraw/zinc/08/57/15/875085715.db2.gz LCIYZIAWEDNXSP-UHFFFAOYSA-N 0 0 402.394 4.328 20 5 HIBDRN Cc1cc(NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461966701 875089888 /nfs/dbraw/zinc/08/98/88/875089888.db2.gz QKYCMTKSQXPZGZ-HNNXBMFYSA-N 0 0 407.392 4.383 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCN1CC(F)(F)F ZINC000462124916 875227977 /nfs/dbraw/zinc/22/79/77/875227977.db2.gz XTGAFKZCVVJMLP-KRWDZBQOSA-N 0 0 409.364 4.352 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCN([C@H](C)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000462204183 875313517 /nfs/dbraw/zinc/31/35/17/875313517.db2.gz UHAXTSITLHECKM-JKSUJKDBSA-N 0 0 402.520 4.114 20 5 HIBDRN O=C(Nc1ccc(NCc2csc([N+](=O)[O-])c2)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000462232647 875344095 /nfs/dbraw/zinc/34/40/95/875344095.db2.gz IBIGWUILCBRRLV-CQSZACIVSA-N 0 0 415.393 4.405 20 5 HIBDRN CCCOc1cc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCCC ZINC000462246488 875363394 /nfs/dbraw/zinc/36/33/94/875363394.db2.gz MMBRYDHFOGQOJV-MAUKXSAKSA-N 0 0 421.494 4.252 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H](c2ccccc2)C1 ZINC000462262104 875387200 /nfs/dbraw/zinc/38/72/00/875387200.db2.gz ZLRXOSUDZCNKOL-LBPRGKRZSA-N 0 0 401.271 4.080 20 5 HIBDRN CCCOc1ccc(Br)cc1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000462404319 875511245 /nfs/dbraw/zinc/51/12/45/875511245.db2.gz VYGIIJMXYQXTKP-UHFFFAOYSA-N 0 0 414.277 4.120 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2noc(C)n2)CCCCCC1 ZINC000462424010 875531249 /nfs/dbraw/zinc/53/12/49/875531249.db2.gz WTAVFOZCIJQBPE-QGZVFWFLSA-N 0 0 400.479 4.221 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000462438700 875544117 /nfs/dbraw/zinc/54/41/17/875544117.db2.gz USHGNWZJMOSWQF-GOSISDBHSA-N 0 0 418.497 4.154 20 5 HIBDRN C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462445679 875551524 /nfs/dbraw/zinc/55/15/24/875551524.db2.gz IGTDQRRIYTXFPE-VIFPVBQESA-N 0 0 407.250 4.422 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000462447871 875555017 /nfs/dbraw/zinc/55/50/17/875555017.db2.gz YMTFCPCTCUUEFC-HXUWFJFHSA-N 0 0 423.513 4.106 20 5 HIBDRN C[C@@H](c1ccsc1)N1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000462477070 875584764 /nfs/dbraw/zinc/58/47/64/875584764.db2.gz VJMLONHFTHPSOK-GJZGRUSLSA-N 0 0 413.503 4.146 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000462502138 875616765 /nfs/dbraw/zinc/61/67/65/875616765.db2.gz NTGIHJKBGWLZNW-SJORKVTESA-N 0 0 400.479 4.076 20 5 HIBDRN O=C(N[C@H]1c2ccccc2CC12CCOCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000462535754 875655913 /nfs/dbraw/zinc/65/59/13/875655913.db2.gz QDNHIRLJKOKIFX-QFIPXVFZSA-N 0 0 421.497 4.363 20 5 HIBDRN O=C(N[C@H]1c2ccccc2CC12CCOCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000462539251 875660206 /nfs/dbraw/zinc/66/02/06/875660206.db2.gz VPSYTXDKSBUGPD-QFIPXVFZSA-N 0 0 421.497 4.363 20 5 HIBDRN Cc1cc(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)c2cc([N+](=O)[O-])ccc2n1 ZINC000462563524 875690861 /nfs/dbraw/zinc/69/08/61/875690861.db2.gz YORODSXWBHGQSS-UHFFFAOYSA-N 0 0 424.432 4.249 20 5 HIBDRN COc1cc(C)c(Br)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000462571690 875695392 /nfs/dbraw/zinc/69/53/92/875695392.db2.gz LCPKZQVPIPTPAD-UHFFFAOYSA-N 0 0 409.236 4.082 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](CSc3ccccc3)C2)cc1C ZINC000462576342 875699101 /nfs/dbraw/zinc/69/91/01/875699101.db2.gz IVEJMGGQOVZVGM-INIZCTEOSA-N 0 0 406.529 4.015 20 5 HIBDRN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000462582542 875702306 /nfs/dbraw/zinc/70/23/06/875702306.db2.gz BONGBMXRTKKVTK-GOSISDBHSA-N 0 0 404.488 4.136 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2nc(C)no2)cc1 ZINC000462614842 875726799 /nfs/dbraw/zinc/72/67/99/875726799.db2.gz JYBYOKLJDMPZJA-INIZCTEOSA-N 0 0 410.430 4.073 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1 ZINC000462616474 875728346 /nfs/dbraw/zinc/72/83/46/875728346.db2.gz NNWMPERKCZMASN-CQSZACIVSA-N 0 0 420.849 4.007 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000462630236 875741614 /nfs/dbraw/zinc/74/16/14/875741614.db2.gz HFAULZMIIZBLSV-YLJYHZDGSA-N 0 0 406.486 4.286 20 5 HIBDRN CCCN1C(=O)CCc2cc(NC(=O)[C@H](CC)Cc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000462632898 875744784 /nfs/dbraw/zinc/74/47/84/875744784.db2.gz QVIUKIYECYEBDX-QGZVFWFLSA-N 0 0 409.486 4.491 20 5 HIBDRN O=[N+]([O-])c1cccc2c1ccn2Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000462668909 875767507 /nfs/dbraw/zinc/76/75/07/875767507.db2.gz DTPQBQPXZZCZCT-UHFFFAOYSA-N 0 0 413.231 4.334 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)cc1 ZINC000462704425 875789806 /nfs/dbraw/zinc/78/98/06/875789806.db2.gz MHWKQYSXQDVQMR-UHFFFAOYSA-N 0 0 414.405 4.112 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(C3CCC3)c2)ccc1[N+](=O)[O-] ZINC000462729822 875806037 /nfs/dbraw/zinc/80/60/37/875806037.db2.gz CWXYOQVKBFNNGN-NRFANRHFSA-N 0 0 407.470 4.414 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CCC(CO)CC1 ZINC000462769420 875829116 /nfs/dbraw/zinc/82/91/16/875829116.db2.gz RZABOQDVSZIXAK-IBGZPJMESA-N 0 0 411.502 4.011 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1c(C)nc2sc(C)cn21 ZINC000462771226 875830508 /nfs/dbraw/zinc/83/05/08/875830508.db2.gz AIQXHQVHALRACK-INIZCTEOSA-N 0 0 400.504 4.148 20 5 HIBDRN COC(=O)c1cc(Oc2cc(C(F)(F)F)nc(-c3ccncc3)n2)ccc1[N+](=O)[O-] ZINC000462843323 875877924 /nfs/dbraw/zinc/87/79/24/875877924.db2.gz SYKLLYFABKCPGV-UHFFFAOYSA-N 0 0 420.303 4.045 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000462846824 875881852 /nfs/dbraw/zinc/88/18/52/875881852.db2.gz UMQJETQKADCANF-UHFFFAOYSA-N 0 0 414.436 4.214 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)[C@H]1Nc2ccccc2C(=O)N1Cc1cccnc1 ZINC000468916235 882974906 /nfs/dbraw/zinc/97/49/06/882974906.db2.gz KOVSQARYGVOACV-KFGZODLXSA-N 0 0 400.438 4.487 20 5 HIBDRN C[C@H]1CN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC[C@H]1c1ccccc1 ZINC000462892932 875917955 /nfs/dbraw/zinc/91/79/55/875917955.db2.gz DLZBTCNSIHQGBT-HNAYVOBHSA-N 0 0 424.888 4.424 20 5 HIBDRN CSC1(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CCOCC1 ZINC000462893920 875919742 /nfs/dbraw/zinc/91/97/42/875919742.db2.gz GWVLYQIPPRAFKL-UHFFFAOYSA-N 0 0 415.515 4.480 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000462900204 875924796 /nfs/dbraw/zinc/92/47/96/875924796.db2.gz KGPAXESQMJIJEG-QGZVFWFLSA-N 0 0 404.470 4.356 20 5 HIBDRN CO[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000462906965 875932496 /nfs/dbraw/zinc/93/24/96/875932496.db2.gz QVECYSWCVUSNMK-IBGZPJMESA-N 0 0 403.866 4.284 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC000462911102 875937229 /nfs/dbraw/zinc/93/72/29/875937229.db2.gz FJMLCIQIROKZEM-LLBVYWAGSA-N 0 0 423.513 4.481 20 5 HIBDRN CNc1c(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000462928905 875957987 /nfs/dbraw/zinc/95/79/87/875957987.db2.gz UCLKVLPYSSQZTQ-UHFFFAOYSA-N 0 0 410.474 4.294 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000462932155 875960227 /nfs/dbraw/zinc/96/02/27/875960227.db2.gz JTVBDTZYXKYDGY-UZLBHIALSA-N 0 0 402.878 4.417 20 5 HIBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000462944613 875966214 /nfs/dbraw/zinc/96/62/14/875966214.db2.gz FVPKNJJWJQSVOM-UHFFFAOYSA-N 0 0 403.504 4.046 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](CO)(c2ccccc2)C1 ZINC000462972818 875985195 /nfs/dbraw/zinc/98/51/95/875985195.db2.gz YJACBFBEUYATEL-QFIPXVFZSA-N 0 0 414.527 4.119 20 5 HIBDRN CNc1c(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC000462989908 876004483 /nfs/dbraw/zinc/00/44/83/876004483.db2.gz HVRTVWHQYIGMEQ-UHFFFAOYSA-N 0 0 418.291 4.203 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000462996345 876010475 /nfs/dbraw/zinc/01/04/75/876010475.db2.gz RZYGFMXMWCMEOJ-FOIQADDNSA-N 0 0 404.413 4.042 20 5 HIBDRN CC(C)[C@@H]1CN(c2nc(N3CCS[C@@H](C(C)C)C3)c([N+](=O)[O-])s2)CCS1 ZINC000463010089 876025265 /nfs/dbraw/zinc/02/52/65/876025265.db2.gz JOFUPQAVISLLJN-KGLIPLIRSA-N 0 0 416.638 4.207 20 5 HIBDRN CCCn1c2nnc(S[C@H](C)c3ccccc3[N+](=O)[O-])n2c2ccccc2c1=O ZINC000463032404 876053663 /nfs/dbraw/zinc/05/36/63/876053663.db2.gz IOUHMHZWLYXWKQ-CYBMUJFWSA-N 0 0 409.471 4.216 20 5 HIBDRN Cc1cnc(N2CCC[C@H]2c2ccccc2I)c([N+](=O)[O-])c1 ZINC000463051772 876079252 /nfs/dbraw/zinc/07/92/52/876079252.db2.gz CFWMHAZTBUTVKL-AWEZNQCLSA-N 0 0 409.227 4.244 20 5 HIBDRN Cc1cc(N2CC[C@H](COCc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463074647 876105493 /nfs/dbraw/zinc/10/54/93/876105493.db2.gz UBOSWTQLVZRQAD-IBGZPJMESA-N 0 0 404.470 4.403 20 5 HIBDRN C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000463075181 876106284 /nfs/dbraw/zinc/10/62/84/876106284.db2.gz MXAUYESZWNUUFO-CYBMUJFWSA-N 0 0 414.849 4.092 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000463082873 876114576 /nfs/dbraw/zinc/11/45/76/876114576.db2.gz FPBSHMSXCODVKG-NTKDMRAZSA-N 0 0 412.489 4.191 20 5 HIBDRN CCn1cnnc1-c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000463105132 876141580 /nfs/dbraw/zinc/14/15/80/876141580.db2.gz DVMIQLCNSYOIQK-UHFFFAOYSA-N 0 0 405.336 4.144 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000463176214 876232480 /nfs/dbraw/zinc/23/24/80/876232480.db2.gz XQKXVRILECJWHU-UHFFFAOYSA-N 0 0 418.384 4.381 20 5 HIBDRN CCOC(=O)c1cccnc1SCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000463197295 876256521 /nfs/dbraw/zinc/25/65/21/876256521.db2.gz PUYSOXIXXNHKQU-UHFFFAOYSA-N 0 0 414.386 4.069 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2ncccc2N2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000463248370 876306648 /nfs/dbraw/zinc/30/66/48/876306648.db2.gz OQWUDMQWPOTDHF-UHFFFAOYSA-N 0 0 424.432 4.370 20 5 HIBDRN CCCNc1ccc(C(F)(F)F)cc1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000468951451 883017082 /nfs/dbraw/zinc/01/70/82/883017082.db2.gz KMNUXMVYDCJIRH-UHFFFAOYSA-N 0 0 413.400 4.278 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000468953336 883019377 /nfs/dbraw/zinc/01/93/77/883019377.db2.gz NDDSQTVYAPOABS-LBPRGKRZSA-N 0 0 423.541 4.470 20 5 HIBDRN CSCc1cccnc1C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000463294143 876354567 /nfs/dbraw/zinc/35/45/67/876354567.db2.gz QPWLVRFKPARMGU-UHFFFAOYSA-N 0 0 407.451 4.336 20 5 HIBDRN Cc1nc(-c2ccc([C@@H](C)NC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000463306698 876365574 /nfs/dbraw/zinc/36/55/74/876365574.db2.gz WJIYTJNILHMUTQ-CQSZACIVSA-N 0 0 410.499 4.340 20 5 HIBDRN C[C@@H](NC(=O)N(C)CCc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000463322661 876378789 /nfs/dbraw/zinc/37/87/89/876378789.db2.gz ZIGGLZSCKYKFHB-CYBMUJFWSA-N 0 0 406.280 4.302 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)F)nc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463398003 876453445 /nfs/dbraw/zinc/45/34/45/876453445.db2.gz VSUYDIWCQAZHAP-UHFFFAOYSA-N 0 0 409.242 4.202 20 5 HIBDRN C[C@@H]1CCCN(c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)ccn2)C1 ZINC000463425958 876480938 /nfs/dbraw/zinc/48/09/38/876480938.db2.gz LWKZEHBRHFSVFB-GFCCVEGCSA-N 0 0 406.389 4.080 20 5 HIBDRN Cc1ccc(C(=O)CCC(=O)CCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000468967112 883033548 /nfs/dbraw/zinc/03/35/48/883033548.db2.gz LLISJDIDDDSJSC-UHFFFAOYSA-N 0 0 422.890 4.247 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000468967256 883034449 /nfs/dbraw/zinc/03/44/49/883034449.db2.gz LIEPASBATBBLJF-UHFFFAOYSA-N 0 0 424.407 4.378 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cc(Cl)cc(F)c32)c2ncccc12 ZINC000463528714 876603718 /nfs/dbraw/zinc/60/37/18/876603718.db2.gz QZDMDUOOXJFPJO-UHFFFAOYSA-N 0 0 421.837 4.077 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c2ncccc12 ZINC000463531969 876610009 /nfs/dbraw/zinc/61/00/09/876610009.db2.gz LMTHWFUASXJCHQ-UHFFFAOYSA-N 0 0 415.324 4.102 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1c(Cl)cccc1I ZINC000463636516 876753611 /nfs/dbraw/zinc/75/36/11/876753611.db2.gz NWHSGEFBKHETDO-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000463683267 876804478 /nfs/dbraw/zinc/80/44/78/876804478.db2.gz HSWLDVRUFJSNKY-UHFFFAOYSA-N 0 0 421.457 4.125 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000468999699 883066204 /nfs/dbraw/zinc/06/62/04/883066204.db2.gz OZHQQGBDAWULNP-UHFFFAOYSA-N 0 0 402.357 4.199 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000463688659 876809370 /nfs/dbraw/zinc/80/93/70/876809370.db2.gz UIMUTXKTNBWSMH-UHFFFAOYSA-N 0 0 405.458 4.459 20 5 HIBDRN CN(CC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000463738239 876859734 /nfs/dbraw/zinc/85/97/34/876859734.db2.gz VXQCHDGWTPYYTF-SFHVURJKSA-N 0 0 405.907 4.001 20 5 HIBDRN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463780618 876900568 /nfs/dbraw/zinc/90/05/68/876900568.db2.gz DJYRSYRCHHMYAC-UHFFFAOYSA-N 0 0 421.501 4.461 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1SC ZINC000463924285 877044385 /nfs/dbraw/zinc/04/43/85/877044385.db2.gz VQVOLGQAPSFPNC-UHFFFAOYSA-N 0 0 419.890 4.433 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](CO)c1cccc(Br)c1 ZINC000463946284 877068341 /nfs/dbraw/zinc/06/83/41/877068341.db2.gz DPCCNIBDEPOKTB-KRWDZBQOSA-N 0 0 422.279 4.171 20 5 HIBDRN CCc1noc(-c2ccc(CCNC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)cc2)n1 ZINC000463948227 877069318 /nfs/dbraw/zinc/06/93/18/877069318.db2.gz GCOAYVZPTSTGKY-UHFFFAOYSA-N 0 0 409.446 4.188 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC000463953276 877075456 /nfs/dbraw/zinc/07/54/56/877075456.db2.gz HBVVTCBFKKBDCF-UHFFFAOYSA-N 0 0 401.488 4.369 20 5 HIBDRN C[C@@H]1CCCN(c2cc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)ccn2)C1 ZINC000463956963 877079915 /nfs/dbraw/zinc/07/99/15/877079915.db2.gz DSPAQCIDHMPILX-VFNWGFHPSA-N 0 0 412.515 4.114 20 5 HIBDRN C[C@H]1CCCN(c2cc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)ccn2)C1 ZINC000463956964 877080055 /nfs/dbraw/zinc/08/00/55/877080055.db2.gz DSPAQCIDHMPILX-YCRPNKLZSA-N 0 0 412.515 4.114 20 5 HIBDRN CC[C@H]1Oc2cc([C@H](C)NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)ccc2NC1=O ZINC000463958114 877081231 /nfs/dbraw/zinc/08/12/31/877081231.db2.gz MEAOADPGYUBRPM-SCLBCKFNSA-N 0 0 412.446 4.204 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000463958200 877081373 /nfs/dbraw/zinc/08/13/73/877081373.db2.gz JHQXZGNDRYBJSY-UHFFFAOYSA-N 0 0 419.441 4.181 20 5 HIBDRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)ccc2NC1=O ZINC000463958115 877081716 /nfs/dbraw/zinc/08/17/16/877081716.db2.gz MEAOADPGYUBRPM-UGSOOPFHSA-N 0 0 412.446 4.204 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000463970625 877095513 /nfs/dbraw/zinc/09/55/13/877095513.db2.gz AWYXYNJTTNYUNB-HNNXBMFYSA-N 0 0 422.279 4.219 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000464010618 877146787 /nfs/dbraw/zinc/14/67/87/877146787.db2.gz XZXIWSIRHPBZOJ-KRWDZBQOSA-N 0 0 403.866 4.317 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000464024523 877158840 /nfs/dbraw/zinc/15/88/40/877158840.db2.gz PCBADSBZFCBHHD-RBUKOAKNSA-N 0 0 409.486 4.068 20 5 HIBDRN CCCC[C@H](NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000464031548 877167033 /nfs/dbraw/zinc/16/70/33/877167033.db2.gz LTPUVIJMYBWUEK-SFHVURJKSA-N 0 0 413.474 4.206 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000464041479 877179075 /nfs/dbraw/zinc/17/90/75/877179075.db2.gz LNZUGXLIBIPFJX-ZDUSSCGKSA-N 0 0 423.391 4.389 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccccc1Oc1ccccc1 ZINC000464042736 877181347 /nfs/dbraw/zinc/18/13/47/877181347.db2.gz VLSMVFOFAUOFCX-UHFFFAOYSA-N 0 0 419.437 4.259 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000464057546 877201517 /nfs/dbraw/zinc/20/15/17/877201517.db2.gz YHRJLBUSRSVXSL-CYBMUJFWSA-N 0 0 423.391 4.389 20 5 HIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464169357 877336385 /nfs/dbraw/zinc/33/63/85/877336385.db2.gz LJAXGEWCTYVVNL-AWEZNQCLSA-N 0 0 406.866 4.115 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000464175654 877345032 /nfs/dbraw/zinc/34/50/32/877345032.db2.gz HEIDSUNUHCMWHE-UHFFFAOYSA-N 0 0 401.669 4.271 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c2ncccc12 ZINC000464210625 877379962 /nfs/dbraw/zinc/37/99/62/877379962.db2.gz GQXMENLLHXATNS-QXPKXGMISA-N 0 0 409.467 4.010 20 5 HIBDRN CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000464272756 877457905 /nfs/dbraw/zinc/45/79/05/877457905.db2.gz LKAKGMVXBCZGIO-UHFFFAOYSA-N 0 0 418.375 4.131 20 5 HIBDRN C[C@@H](CC(F)(F)F)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000464276370 877462672 /nfs/dbraw/zinc/46/26/72/877462672.db2.gz PHNWZXVJVQQLPN-ZETCQYMHSA-N 0 0 411.167 4.158 20 5 HIBDRN CCC(CC)[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000464305114 877496141 /nfs/dbraw/zinc/49/61/41/877496141.db2.gz CIZNUPVNTARVGW-HXUWFJFHSA-N 0 0 417.893 4.272 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](C)c2nccs2)CC1 ZINC000464324621 877513136 /nfs/dbraw/zinc/51/31/36/877513136.db2.gz CIWVVGNPXIIZMC-CQSZACIVSA-N 0 0 420.560 4.072 20 5 HIBDRN O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000464336057 877527767 /nfs/dbraw/zinc/52/77/67/877527767.db2.gz WVJHJGXCAGHXSR-UHFFFAOYSA-N 0 0 413.846 4.424 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000464349837 877542469 /nfs/dbraw/zinc/54/24/69/877542469.db2.gz CQAPPAGQLAQCNZ-UHFFFAOYSA-N 0 0 417.878 4.131 20 5 HIBDRN CC(C)Oc1ccc2ccccc2c1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000464364666 877562434 /nfs/dbraw/zinc/56/24/34/877562434.db2.gz VVWNISLFBNUHFF-UHFFFAOYSA-N 0 0 414.483 4.155 20 5 HIBDRN CC(C)Cn1cc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cn1 ZINC000464371367 877570127 /nfs/dbraw/zinc/57/01/27/877570127.db2.gz BEIZAXDAIWXQEC-UHFFFAOYSA-N 0 0 423.260 4.192 20 5 HIBDRN CC(C)Cn1cc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 ZINC000464382590 877583460 /nfs/dbraw/zinc/58/34/60/877583460.db2.gz ITIAMLADDNLJAM-HNNXBMFYSA-N 0 0 408.462 4.268 20 5 HIBDRN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)c12 ZINC000464501560 877724411 /nfs/dbraw/zinc/72/44/11/877724411.db2.gz ZSWBTNUICIBQFM-UHFFFAOYSA-N 0 0 403.398 4.086 20 5 HIBDRN Cc1oc2ccccc2c1CC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000464563116 877781197 /nfs/dbraw/zinc/78/11/97/877781197.db2.gz FGRVSCZQRKRLOY-IBGZPJMESA-N 0 0 424.453 4.391 20 5 HIBDRN CO[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000464594219 877821548 /nfs/dbraw/zinc/82/15/48/877821548.db2.gz PYNDLRMPBBCEIV-KRWDZBQOSA-N 0 0 413.257 4.174 20 5 HIBDRN CCOc1ccc(C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000464602653 877832047 /nfs/dbraw/zinc/83/20/47/877832047.db2.gz MJNPXISEWKUPDZ-HXUWFJFHSA-N 0 0 412.486 4.166 20 5 HIBDRN COc1cc(CN[C@@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000464614926 877839185 /nfs/dbraw/zinc/83/91/85/877839185.db2.gz XHVLEZKYJQDKAY-NSHDSACASA-N 0 0 412.437 4.316 20 5 HIBDRN O=C([C@H]1SCCc2sccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464632390 877850181 /nfs/dbraw/zinc/85/01/81/877850181.db2.gz PFLSRCRWTFHWHC-SFHVURJKSA-N 0 0 404.513 4.057 20 5 HIBDRN COc1cccc(C2(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)CCCC2)c1 ZINC000464633690 877850999 /nfs/dbraw/zinc/85/09/99/877850999.db2.gz BGPBSTSMRFPESI-UHFFFAOYSA-N 0 0 424.497 4.485 20 5 HIBDRN COc1ccc(S[C@H](C)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464635823 877852535 /nfs/dbraw/zinc/85/25/35/877852535.db2.gz KOIYLABHQAESFJ-OAHLLOKOSA-N 0 0 416.499 4.154 20 5 HIBDRN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464640620 877858289 /nfs/dbraw/zinc/85/82/89/877858289.db2.gz UTUKTNHFNCQCJY-AWEZNQCLSA-N 0 0 404.850 4.086 20 5 HIBDRN COc1cc(COc2cccc(NC(=O)C3CC3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000503300040 912283167 /nfs/dbraw/zinc/28/31/67/912283167.db2.gz QBZVQBNPWQNRBP-UHFFFAOYSA-N 0 0 422.384 4.175 20 5 HIBDRN CCOc1ccc2cc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 ZINC000464660085 877880626 /nfs/dbraw/zinc/88/06/26/877880626.db2.gz ILEDEQPODQPZQV-UHFFFAOYSA-N 0 0 409.442 4.158 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464660642 877881542 /nfs/dbraw/zinc/88/15/42/877881542.db2.gz IQBVAHLZOGCGOD-UHFFFAOYSA-N 0 0 413.449 4.018 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2cc(Cl)ccc2O1 ZINC000464661968 877882630 /nfs/dbraw/zinc/88/26/30/877882630.db2.gz GCXLBAIMIYMVLG-ZDUSSCGKSA-N 0 0 401.850 4.276 20 5 HIBDRN COc1ccc(CCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Cl ZINC000464667586 877887396 /nfs/dbraw/zinc/88/73/96/877887396.db2.gz VPQFHELZUPLABK-UHFFFAOYSA-N 0 0 418.877 4.259 20 5 HIBDRN O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc([N+](=O)[O-])s1 ZINC000464722693 877951555 /nfs/dbraw/zinc/95/15/55/877951555.db2.gz ALUXXTAAHHLFQI-UHFFFAOYSA-N 0 0 400.313 4.252 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1nccn1Cc1ccccc1 ZINC000464724946 877956320 /nfs/dbraw/zinc/95/63/20/877956320.db2.gz KEEKOHUOIIGTAZ-MRXNPFEDSA-N 0 0 418.457 4.083 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 ZINC000464725347 877957485 /nfs/dbraw/zinc/95/74/85/877957485.db2.gz WSQJJNFNQBBSAQ-UHFFFAOYSA-N 0 0 410.430 4.177 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000464730525 877964897 /nfs/dbraw/zinc/96/48/97/877964897.db2.gz TWMJEFQXTZCKSY-UHFFFAOYSA-N 0 0 408.311 4.120 20 5 HIBDRN C[C@H](O)CCN(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000464745164 877978333 /nfs/dbraw/zinc/97/83/33/877978333.db2.gz UJCGNMFNGNPKAI-LBPRGKRZSA-N 0 0 417.512 4.199 20 5 HIBDRN COc1cc(COc2ccccc2NC(=O)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000503319563 912298225 /nfs/dbraw/zinc/29/82/25/912298225.db2.gz XERJEHAQHSFSPQ-UHFFFAOYSA-N 0 0 422.384 4.175 20 5 HIBDRN CCOc1ccc(NC(=O)CN2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464765972 878007153 /nfs/dbraw/zinc/00/71/53/878007153.db2.gz BCDHKBNMJXAPKC-INIZCTEOSA-N 0 0 415.515 4.046 20 5 HIBDRN CSc1cccc(NC(=O)[C@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464769952 878011791 /nfs/dbraw/zinc/01/17/91/878011791.db2.gz ANYCRLDYDDPZMH-HNNXBMFYSA-N 0 0 415.515 4.187 20 5 HIBDRN CCO[C@H]1C[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C12CCCC2 ZINC000464881460 878175725 /nfs/dbraw/zinc/17/57/25/878175725.db2.gz SQTWJSJMLMLFCO-HOTGVXAUSA-N 0 0 416.396 4.004 20 5 HIBDRN C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](c2ccccc2)CO1 ZINC000464961311 878300503 /nfs/dbraw/zinc/30/05/03/878300503.db2.gz MAPTYGGQVSOFRY-IFXJQAMLSA-N 0 0 409.467 4.321 20 5 HIBDRN C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-n2cccn2)cc1 ZINC000464979923 878326282 /nfs/dbraw/zinc/32/62/82/878326282.db2.gz GGUWOPXTUZVRRE-AWEZNQCLSA-N 0 0 419.466 4.395 20 5 HIBDRN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000464994546 878347844 /nfs/dbraw/zinc/34/78/44/878347844.db2.gz COYYZGCJBWFHHG-CQSZACIVSA-N 0 0 402.447 4.028 20 5 HIBDRN CC(C)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)Cc1cccc(Cl)c1 ZINC000465011383 878372002 /nfs/dbraw/zinc/37/20/02/878372002.db2.gz LEOZVEVZERFQIP-UHFFFAOYSA-N 0 0 404.850 4.018 20 5 HIBDRN CCOc1cccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1OC(F)F ZINC000465043079 878404669 /nfs/dbraw/zinc/40/46/69/878404669.db2.gz ILZHAUVTJNYAIV-UHFFFAOYSA-N 0 0 405.357 4.006 20 5 HIBDRN CCC(C)(C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000465052168 878413809 /nfs/dbraw/zinc/41/38/09/878413809.db2.gz HNHZJWVVMXSVHL-UHFFFAOYSA-N 0 0 419.503 4.469 20 5 HIBDRN C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000465051666 878414944 /nfs/dbraw/zinc/41/49/44/878414944.db2.gz SPKIBNWBGAFJJD-SNVBAGLBSA-N 0 0 411.241 4.093 20 5 HIBDRN C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)cc1Cl ZINC000465060352 878421597 /nfs/dbraw/zinc/42/15/97/878421597.db2.gz YQOPAZRLEVWRLI-SNVBAGLBSA-N 0 0 411.241 4.093 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000503367071 912345256 /nfs/dbraw/zinc/34/52/56/912345256.db2.gz NREGTZNYCWJRPJ-UHFFFAOYSA-N 0 0 411.418 4.099 20 5 HIBDRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2NC1=O ZINC000465068713 878428883 /nfs/dbraw/zinc/42/88/83/878428883.db2.gz STVAYLPWDNUGCL-QFYYESIMSA-N 0 0 418.837 4.240 20 5 HIBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1C[C@@H]2CCC[C@H]2C1 ZINC000465083746 878444780 /nfs/dbraw/zinc/44/47/80/878444780.db2.gz LFQSQTKRLHRJHY-GJZGRUSLSA-N 0 0 411.424 4.089 20 5 HIBDRN COc1cc(C(=O)N2CCC(=Cc3ccccc3F)CC2)cc([N+](=O)[O-])c1OC ZINC000465089223 878453072 /nfs/dbraw/zinc/45/30/72/878453072.db2.gz FZAYVUCMOBJVJX-UHFFFAOYSA-N 0 0 400.406 4.071 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1C[C@@H]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000465092792 878459127 /nfs/dbraw/zinc/45/91/27/878459127.db2.gz VHPZKMHVDIFQPQ-KBPBESRZSA-N 0 0 413.861 4.373 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[C@@]2(CCOC2)C1 ZINC000465099516 878470823 /nfs/dbraw/zinc/47/08/23/878470823.db2.gz TWZRMXUPXMGNBC-OAQYLSRUSA-N 0 0 415.877 4.113 20 5 HIBDRN CCN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](C)c1cc2ccccc2o1 ZINC000465179545 878566696 /nfs/dbraw/zinc/56/66/96/878566696.db2.gz YOMOZDHJNPQTQY-CQSZACIVSA-N 0 0 410.426 4.264 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1c(F)cccc1OC(F)F ZINC000465182940 878571499 /nfs/dbraw/zinc/57/14/99/878571499.db2.gz INUIZZGRMGPLNO-SECBINFHSA-N 0 0 418.755 4.072 20 5 HIBDRN Cc1ccc2[nH]c(CNC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1 ZINC000465191944 878588618 /nfs/dbraw/zinc/58/86/18/878588618.db2.gz LFPGFQOTMDPROP-UHFFFAOYSA-N 0 0 424.404 4.207 20 5 HIBDRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000465193374 878591494 /nfs/dbraw/zinc/59/14/94/878591494.db2.gz CTDRHPBTNFWZMW-CQSZACIVSA-N 0 0 418.494 4.281 20 5 HIBDRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000465193372 878592143 /nfs/dbraw/zinc/59/21/43/878592143.db2.gz CTDRHPBTNFWZMW-AWEZNQCLSA-N 0 0 418.494 4.281 20 5 HIBDRN Cc1ccc2[nH]c(CNC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)nc2c1 ZINC000465198128 878602514 /nfs/dbraw/zinc/60/25/14/878602514.db2.gz TXRGRWGYTUWVSC-HZPDHXFCSA-N 0 0 421.501 4.192 20 5 HIBDRN O=C(NCc1c(F)cccc1OC(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000465199074 878604053 /nfs/dbraw/zinc/60/40/53/878604053.db2.gz XCSWNSVIPRPFSS-UHFFFAOYSA-N 0 0 419.153 4.028 20 5 HIBDRN C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(-n2cccn2)c1 ZINC000465207049 878615667 /nfs/dbraw/zinc/61/56/67/878615667.db2.gz PVFAUZSLXPMSDQ-CQSZACIVSA-N 0 0 419.466 4.395 20 5 HIBDRN CCOc1cccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1OC(F)F ZINC000465227051 878641793 /nfs/dbraw/zinc/64/17/93/878641793.db2.gz RSXOLZFKRWQFMP-UHFFFAOYSA-N 0 0 423.416 4.329 20 5 HIBDRN CC(C)(NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000465324870 878767107 /nfs/dbraw/zinc/76/71/07/878767107.db2.gz ZFGWHNPBYOMVQM-UHFFFAOYSA-N 0 0 416.425 4.314 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000465333383 878772486 /nfs/dbraw/zinc/77/24/86/878772486.db2.gz LDALUYLXJHSSJU-UHFFFAOYSA-N 0 0 406.866 4.291 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000465485461 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SVFZABWKTIMCEH-KRWDZBQOSA-N 0 0 407.474 4.164 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000465999905 879676922 /nfs/dbraw/zinc/67/69/22/879676922.db2.gz GAAMTDKQAQOAHQ-ZDUSSCGKSA-N 0 0 404.854 4.047 20 5 HIBDRN O=C(NCc1coc(-c2ccccc2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000466070265 879771720 /nfs/dbraw/zinc/77/17/20/879771720.db2.gz RWSITZAEOAWETN-UHFFFAOYSA-N 0 0 422.441 4.003 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])cc1OCC ZINC000466096567 879815440 /nfs/dbraw/zinc/81/54/40/879815440.db2.gz WROWLVAMUZPWKC-QGZVFWFLSA-N 0 0 420.491 4.430 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCCc4sccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000466269881 880004421 /nfs/dbraw/zinc/00/44/21/880004421.db2.gz ZUAODFOFXVNOFL-GOSISDBHSA-N 0 0 410.499 4.325 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000466283661 880024397 /nfs/dbraw/zinc/02/43/97/880024397.db2.gz SGIMHGAQGMHQKQ-HUUCEWRRSA-N 0 0 409.667 4.431 20 5 HIBDRN 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HIBDRN O=C(COc1ccccc1NC/C=C\c1ccccc1[N+](=O)[O-])Nc1cccnc1 ZINC000466469078 880251041 /nfs/dbraw/zinc/25/10/41/880251041.db2.gz OTNHFOZASXVCDA-YVMONPNESA-N 0 0 404.426 4.133 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000466504808 880278896 /nfs/dbraw/zinc/27/88/96/880278896.db2.gz NZNGZOHPANVUFP-UHFFFAOYSA-N 0 0 404.850 4.334 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1c(F)ccc(Br)c1F ZINC000466506601 880281917 /nfs/dbraw/zinc/28/19/17/880281917.db2.gz VKTKMIJGKIGRTK-UHFFFAOYSA-N 0 0 401.163 4.287 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(CC)n(-c2ccccc2Cl)n1 ZINC000466520784 880296446 /nfs/dbraw/zinc/29/64/46/880296446.db2.gz VEMBKSZLIIGTOA-UHFFFAOYSA-N 0 0 415.837 4.042 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NCc2ccncc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000466638711 880412705 /nfs/dbraw/zinc/41/27/05/880412705.db2.gz BLYGUQLQSNRDBJ-UHFFFAOYSA-N 0 0 411.380 4.158 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)OC)c1OC(C)C ZINC000466652526 880429014 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424.766 5.013 20 5 HIBDRN C[C@@]1(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000466834028 880603128 /nfs/dbraw/zinc/60/31/28/880603128.db2.gz XGNXGPYTVBPXFT-IRXDYDNUSA-N 0 0 418.437 4.027 20 5 HIBDRN COCc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000466848620 880618711 /nfs/dbraw/zinc/61/87/11/880618711.db2.gz XQUDEWFEPLFFJL-DOMZBBRYSA-N 0 0 408.838 4.119 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CNc3cc(Br)c(F)cc3F)n2)c1 ZINC000466852200 880621754 /nfs/dbraw/zinc/62/17/54/880621754.db2.gz JFFAGZMNGYJSOE-UHFFFAOYSA-N 0 0 411.162 4.298 20 5 HIBDRN COc1ccc(N(C)C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1F ZINC000466899989 880666500 /nfs/dbraw/zinc/66/65/00/880666500.db2.gz NZCDZPYLYKYXFZ-CQSZACIVSA-N 0 0 401.438 4.255 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000466909603 880678013 /nfs/dbraw/zinc/67/80/13/880678013.db2.gz MPLLACPKADOFFU-UHFFFAOYSA-N 0 0 403.394 4.344 20 5 HIBDRN CC(C)(C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1csc(-c2cccs2)n1 ZINC000503538596 912597706 /nfs/dbraw/zinc/59/77/06/912597706.db2.gz JUVYQJQOMZXCEN-UHFFFAOYSA-N 0 0 414.512 4.037 20 5 HIBDRN CCOc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2C)c([N+](=O)[O-])cc1OC ZINC000467041731 880838062 /nfs/dbraw/zinc/83/80/62/880838062.db2.gz XEINWVJFLVEFDT-UHFFFAOYSA-N 0 0 412.364 4.259 20 5 HIBDRN Cc1sc(S(=O)(=O)NC(c2cccs2)c2cccs2)cc1[N+](=O)[O-] ZINC000467059583 880846132 /nfs/dbraw/zinc/84/61/32/880846132.db2.gz MYOAVRXQGIPBOD-UHFFFAOYSA-N 0 0 400.528 4.156 20 5 HIBDRN CCOc1cc(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)c([N+](=O)[O-])cc1OC ZINC000467113487 880871902 /nfs/dbraw/zinc/87/19/02/880871902.db2.gz VKWIYBYKABTFNF-UHFFFAOYSA-N 0 0 410.430 4.057 20 5 HIBDRN Cc1nccn1CCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467119351 880875931 /nfs/dbraw/zinc/87/59/31/880875931.db2.gz BCYAABHDASGVCG-UHFFFAOYSA-N 0 0 416.890 4.334 20 5 HIBDRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1Br ZINC000467124467 880878540 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JGLBUFYJCSEKND-OAHLLOKOSA-N 0 0 401.772 4.221 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(OCCc2ccccc2)CC1 ZINC000467217819 880946927 /nfs/dbraw/zinc/94/69/27/880946927.db2.gz ORGCMHYQIPDXFC-UHFFFAOYSA-N 0 0 417.893 4.182 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000467229124 880957755 /nfs/dbraw/zinc/95/77/55/880957755.db2.gz JLVNTJQHTICFSE-CQSZACIVSA-N 0 0 410.257 4.265 20 5 HIBDRN COc1cc(C(=O)NCCn2cccc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000467302434 881050365 /nfs/dbraw/zinc/05/03/65/881050365.db2.gz HBURGKJOEFXWLM-UHFFFAOYSA-N 0 0 415.833 4.281 20 5 HIBDRN Cc1c(-c2cc(CSCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)on2)cnn1C ZINC000467312713 881058990 /nfs/dbraw/zinc/05/89/90/881058990.db2.gz IFQVOQRVQNFJKC-UHFFFAOYSA-N 0 0 411.443 4.380 20 5 HIBDRN CS(=O)(=O)c1cc(SCc2ccn(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] ZINC000467313617 881059937 /nfs/dbraw/zinc/05/99/37/881059937.db2.gz FRBNJHSXDHDVKP-UHFFFAOYSA-N 0 0 423.903 4.130 20 5 HIBDRN Cc1sc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000467403121 881188310 /nfs/dbraw/zinc/18/83/10/881188310.db2.gz INPUUSKDBCPTJC-UHFFFAOYSA-N 0 0 423.903 4.409 20 5 HIBDRN Cc1ccc([C@@H](C)Nc2cnc(N3CCOCC3)c(Br)c2)cc1[N+](=O)[O-] ZINC000467439497 881238875 /nfs/dbraw/zinc/23/88/75/881238875.db2.gz VQUQYXPTICBNRX-CYBMUJFWSA-N 0 0 421.295 4.070 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSc3ccc(Cl)cc32)c2ncccc12 ZINC000469054214 883126853 /nfs/dbraw/zinc/12/68/53/883126853.db2.gz TZXUTCPBSSPRDY-UHFFFAOYSA-N 0 0 421.887 4.097 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CC(C)C)c1ccccc1C ZINC000469076235 883161168 /nfs/dbraw/zinc/16/11/68/883161168.db2.gz XMFJKKDTDZNLPV-MSOLQXFVSA-N 0 0 401.511 4.039 20 5 HIBDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000469083738 883169456 /nfs/dbraw/zinc/16/94/56/883169456.db2.gz VIGMNGFQAQCXSL-UHFFFAOYSA-N 0 0 412.396 4.172 20 5 HIBDRN Cn1cc(Nc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)c2)cn1 ZINC000469096263 883184825 /nfs/dbraw/zinc/18/48/25/883184825.db2.gz WWLVZOVPDZDDMQ-UHFFFAOYSA-N 0 0 416.235 4.087 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469108719 883200392 /nfs/dbraw/zinc/20/03/92/883200392.db2.gz XIQWNQKXWHHBMO-OLZOCXBDSA-N 0 0 407.854 4.101 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](C)[C@H](n4ccnc4)C3)c([N+](=O)[O-])c2)cc1 ZINC000469137238 883232689 /nfs/dbraw/zinc/23/26/89/883232689.db2.gz ZZUNORVUYDVFLS-VGOFRKELSA-N 0 0 419.485 4.440 20 5 HIBDRN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000469142503 883238037 /nfs/dbraw/zinc/23/80/37/883238037.db2.gz ZFDCVGXSAZTRAP-MRXNPFEDSA-N 0 0 418.375 4.478 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000469160364 883257376 /nfs/dbraw/zinc/25/73/76/883257376.db2.gz VMAULRIDYBQOMH-GOSISDBHSA-N 0 0 410.518 4.103 20 5 HIBDRN CC(C)CO[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000469203984 883305268 /nfs/dbraw/zinc/30/52/68/883305268.db2.gz ONZBHTHCOFEZIW-WMZOPIPTSA-N 0 0 412.490 4.050 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000469266214 883364376 /nfs/dbraw/zinc/36/43/76/883364376.db2.gz JTNVUDNTEFCMAK-LBPRGKRZSA-N 0 0 418.837 4.324 20 5 HIBDRN C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2c(O)cccc21 ZINC000469288883 883385471 /nfs/dbraw/zinc/38/54/71/883385471.db2.gz PGBQRRQAINLCNV-NSHDSACASA-N 0 0 405.248 4.146 20 5 HIBDRN C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000469381370 883515718 /nfs/dbraw/zinc/51/57/18/883515718.db2.gz MMMUBSHRFHVHNG-JTSKRJEESA-N 0 0 419.485 4.127 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(OCC2CC2)c(F)c1 ZINC000469436267 883624444 /nfs/dbraw/zinc/62/44/44/883624444.db2.gz LJWNTERJTDWQGX-CQSZACIVSA-N 0 0 424.432 4.199 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469445331 883642713 /nfs/dbraw/zinc/64/27/13/883642713.db2.gz AKUAQGJVYRMINO-CQSZACIVSA-N 0 0 401.413 4.379 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)C2 ZINC000469454789 883659056 /nfs/dbraw/zinc/65/90/56/883659056.db2.gz NWIWDMZUMXZHAA-HSZRJFAPSA-N 0 0 418.449 4.308 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)C2 ZINC000469458036 883667888 /nfs/dbraw/zinc/66/78/88/883667888.db2.gz ZCMDWZSDWBDBKN-HSZRJFAPSA-N 0 0 402.450 4.472 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H](c1ccccc1)C2 ZINC000469469089 883693422 /nfs/dbraw/zinc/69/34/22/883693422.db2.gz RCSUVWPYFMOISK-JOCHJYFZSA-N 0 0 403.438 4.247 20 5 HIBDRN COCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(F)cc1Cl ZINC000503645474 912751816 /nfs/dbraw/zinc/75/18/16/912751816.db2.gz CDJCVVZIRYBNML-UHFFFAOYSA-N 0 0 420.828 4.086 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000469559998 883814395 /nfs/dbraw/zinc/81/43/95/883814395.db2.gz GMDNNFZCKUGIQC-TVQRCGJNSA-N 0 0 414.293 4.011 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cc1 ZINC000469618042 883836381 /nfs/dbraw/zinc/83/63/81/883836381.db2.gz QWRYCHSEMQNFKF-UHFFFAOYSA-N 0 0 424.482 4.108 20 5 HIBDRN O=C(NCC1(O)CCC1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000469827597 884007282 /nfs/dbraw/zinc/00/72/82/884007282.db2.gz MSWMPFJVCOLSQF-UHFFFAOYSA-N 0 0 415.496 4.001 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000469855798 884041825 /nfs/dbraw/zinc/04/18/25/884041825.db2.gz XUSJMEKRBUDCDX-UHFFFAOYSA-N 0 0 418.247 4.119 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000503680555 912787047 /nfs/dbraw/zinc/78/70/47/912787047.db2.gz NTCIKIKOSPBCEM-CQSZACIVSA-N 0 0 410.561 4.272 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)Cc1ccc(C)cc1 ZINC000469918711 884108702 /nfs/dbraw/zinc/10/87/02/884108702.db2.gz QGGVGUNJIZDCLK-KRWDZBQOSA-N 0 0 402.516 4.129 20 5 HIBDRN CCCn1ccnc1CCCN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000469952912 884153650 /nfs/dbraw/zinc/15/36/50/884153650.db2.gz KREOPVAPQRGPIM-UHFFFAOYSA-N 0 0 413.503 4.030 20 5 HIBDRN Cc1cccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1Br ZINC000469954326 884157486 /nfs/dbraw/zinc/15/74/86/884157486.db2.gz VLGOVSHAPCRJTN-UHFFFAOYSA-N 0 0 402.248 4.006 20 5 HIBDRN CN(Cc1cccc(OC(F)(F)F)c1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000470033731 884267170 /nfs/dbraw/zinc/26/71/70/884267170.db2.gz ACHNUNPXABSWIL-UHFFFAOYSA-N 0 0 423.391 4.366 20 5 HIBDRN CCOC(=O)c1ccnc(NCc2nc(-c3ccccc3F)cs2)c1[N+](=O)[O-] ZINC000470035004 884270793 /nfs/dbraw/zinc/27/07/93/884270793.db2.gz CJABBFPLWJRXMV-UHFFFAOYSA-N 0 0 402.407 4.041 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000470051974 884298906 /nfs/dbraw/zinc/29/89/06/884298906.db2.gz WFQGHTBFCBLDKM-UHFFFAOYSA-N 0 0 405.458 4.401 20 5 HIBDRN CCOc1cc(NC(=O)NCc2cc(Cl)ccc2OC)c([N+](=O)[O-])cc1OCC ZINC000503719673 912809359 /nfs/dbraw/zinc/80/93/59/912809359.db2.gz VSPVAYFAGGQPRT-UHFFFAOYSA-N 0 0 423.853 4.376 20 5 HIBDRN CCOc1ccc(C(=O)N(C)Cc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000470057041 884307289 /nfs/dbraw/zinc/30/72/89/884307289.db2.gz KXCMEXPMODRHSF-UHFFFAOYSA-N 0 0 407.264 4.337 20 5 HIBDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000470097895 884355802 /nfs/dbraw/zinc/35/58/02/884355802.db2.gz PHSBPSMZSVRRLM-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCOc3c(Br)cccc32)cccc1[N+](=O)[O-] ZINC000503752742 912815476 /nfs/dbraw/zinc/81/54/76/912815476.db2.gz AVCJLLSMDWHMND-AWEZNQCLSA-N 0 0 406.236 4.311 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cc1[N+](=O)[O-] ZINC000470109228 884368437 /nfs/dbraw/zinc/36/84/37/884368437.db2.gz JCZRDQAWSLPRDS-CQSZACIVSA-N 0 0 406.426 4.026 20 5 HIBDRN COC(=O)[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000470137809 884401727 /nfs/dbraw/zinc/40/17/27/884401727.db2.gz MDGTWIZWYWLXMA-GOSISDBHSA-N 0 0 411.439 4.044 20 5 HIBDRN CCOc1ccc(C2(CNC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCOCC2)cc1 ZINC000470136989 884402026 /nfs/dbraw/zinc/40/20/26/884402026.db2.gz QXMURHQRMGBUDI-UHFFFAOYSA-N 0 0 417.437 4.003 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000470141997 884408856 /nfs/dbraw/zinc/40/88/56/884408856.db2.gz QJMXXMDTKXJRLZ-INIZCTEOSA-N 0 0 413.327 4.358 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000470143130 884410256 /nfs/dbraw/zinc/41/02/56/884410256.db2.gz RCYHBHMKDVDBJN-UHFFFAOYSA-N 0 0 400.431 4.130 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])cc1OCC ZINC000503779897 912822001 /nfs/dbraw/zinc/82/20/01/912822001.db2.gz LULMWCFYMKJGGX-BXUZGUMPSA-N 0 0 417.409 4.064 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000470149215 884417557 /nfs/dbraw/zinc/41/75/57/884417557.db2.gz ZJTIUULWFBTYAD-UHFFFAOYSA-N 0 0 407.474 4.022 20 5 HIBDRN CN(Cc1ccc(Br)c(F)c1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470153502 884423926 /nfs/dbraw/zinc/42/39/26/884423926.db2.gz ZRIGUWJTYCHCEV-UHFFFAOYSA-N 0 0 400.179 4.299 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000470179122 884462768 /nfs/dbraw/zinc/46/27/68/884462768.db2.gz SNOGCOIPOWDFGA-PTNGSMBKSA-N 0 0 411.483 4.264 20 5 HIBDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000470186726 884479046 /nfs/dbraw/zinc/47/90/46/884479046.db2.gz UNHWRYBSTYHSBS-UHFFFAOYSA-N 0 0 423.448 4.140 20 5 HIBDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000470197218 884505138 /nfs/dbraw/zinc/50/51/38/884505138.db2.gz YWUFMOPVROCZBM-UHFFFAOYSA-N 0 0 420.347 4.141 20 5 HIBDRN C[C@H](N(Cc1ccccc1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000470203928 884520445 /nfs/dbraw/zinc/52/04/45/884520445.db2.gz SJZCZXNVRZFVCL-INIZCTEOSA-N 0 0 407.474 4.253 20 5 HIBDRN Cc1nn(CCC(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000470218576 884545529 /nfs/dbraw/zinc/54/55/29/884545529.db2.gz NTQSAQYOMUMWOI-GFCCVEGCSA-N 0 0 412.412 4.127 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)Cc3nccs3)cc2[N+](=O)[O-])n1 ZINC000470249586 884585029 /nfs/dbraw/zinc/58/50/29/884585029.db2.gz ZJYLMLXRQSTYAZ-UHFFFAOYSA-N 0 0 406.514 4.240 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000470274652 884633692 /nfs/dbraw/zinc/63/36/92/884633692.db2.gz LDSLLNXTVXPQCS-SIKLNZKXSA-N 0 0 409.486 4.154 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCc2c(Br)cccc2C1 ZINC000503886026 912850627 /nfs/dbraw/zinc/85/06/27/912850627.db2.gz QIVZJWSOVUCQMZ-UHFFFAOYSA-N 0 0 401.216 4.302 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCc2c(Br)cccc2C1 ZINC000503898716 912856027 /nfs/dbraw/zinc/85/60/27/912856027.db2.gz BCBXBRIGGMNAIM-UHFFFAOYSA-N 0 0 407.289 4.034 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470372673 884769929 /nfs/dbraw/zinc/76/99/29/884769929.db2.gz LYULZLOKYLHLBC-LLVKDONJSA-N 0 0 403.822 4.396 20 5 HIBDRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)n1 ZINC000470397939 884802966 /nfs/dbraw/zinc/80/29/66/884802966.db2.gz OJVJMXZLZXZTAF-CYBMUJFWSA-N 0 0 413.455 4.340 20 5 HIBDRN Cc1cc(C)c(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(Br)c1 ZINC000470417012 884819783 /nfs/dbraw/zinc/81/97/83/884819783.db2.gz ZNEDQUGVDIJLCM-UHFFFAOYSA-N 0 0 420.263 4.269 20 5 HIBDRN C[C@@H](C(=O)N1CCN(c2cccc3cnccc32)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000470418047 884821201 /nfs/dbraw/zinc/82/12/01/884821201.db2.gz DZGLQQWANJLGKJ-JKSUJKDBSA-N 0 0 422.460 4.123 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1C(=O)N(C)C(C)C ZINC000470447313 884843815 /nfs/dbraw/zinc/84/38/15/884843815.db2.gz ZKRLFKLMJDGSHS-UHFFFAOYSA-N 0 0 406.442 4.184 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCCC1 ZINC000470482938 884871765 /nfs/dbraw/zinc/87/17/65/884871765.db2.gz JSRUVUBTIOTRAR-UHFFFAOYSA-N 0 0 409.486 4.446 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000470491872 884879108 /nfs/dbraw/zinc/87/91/08/884879108.db2.gz KGKYEZJCIUVVGU-CYBMUJFWSA-N 0 0 407.854 4.026 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000470494989 884881780 /nfs/dbraw/zinc/88/17/80/884881780.db2.gz AQRMDOWNEQKUTI-CYBMUJFWSA-N 0 0 407.854 4.326 20 5 HIBDRN C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000470494674 884881981 /nfs/dbraw/zinc/88/19/81/884881981.db2.gz DJPNQFDTYTVULO-INIZCTEOSA-N 0 0 405.458 4.129 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CNc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000470524284 884916666 /nfs/dbraw/zinc/91/66/66/884916666.db2.gz SHAVJEFBELLWRS-UHFFFAOYSA-N 0 0 419.363 4.212 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000470628510 885054361 /nfs/dbraw/zinc/05/43/61/885054361.db2.gz WWRWZKURCYYDGV-UHFFFAOYSA-N 0 0 410.789 4.226 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000470659230 885083091 /nfs/dbraw/zinc/08/30/91/885083091.db2.gz DPWKCVQWIVUHCA-MRVPVSSYSA-N 0 0 423.800 4.149 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c(C)n1 ZINC000470664122 885089773 /nfs/dbraw/zinc/08/97/73/885089773.db2.gz UZBDCDKQGFYGNW-UHFFFAOYSA-N 0 0 416.484 4.475 20 5 HIBDRN CCC1(c2ccc(Cl)cc2)CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000470678508 885110170 /nfs/dbraw/zinc/11/01/70/885110170.db2.gz PBPXCGCOMXTVIH-UHFFFAOYSA-N 0 0 404.898 4.150 20 5 HIBDRN CCC1(c2ccc(Cl)cc2)CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000470683947 885117739 /nfs/dbraw/zinc/11/77/39/885117739.db2.gz RSCPYYWXAJZMGX-UHFFFAOYSA-N 0 0 404.898 4.114 20 5 HIBDRN C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](c2ccsc2)O1 ZINC000470706096 885143066 /nfs/dbraw/zinc/14/30/66/885143066.db2.gz CROZHCFTUOPTNP-YVEFUNNKSA-N 0 0 415.496 4.382 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000470708093 885147363 /nfs/dbraw/zinc/14/73/63/885147363.db2.gz SDZOUSVICNTWEQ-BEVDRBHNSA-N 0 0 411.433 4.146 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](c2ccsc2)O1 ZINC000470760686 885226313 /nfs/dbraw/zinc/22/63/13/885226313.db2.gz RRJLSXLNSIMDLG-MEBBXXQBSA-N 0 0 411.277 4.021 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1C(=O)N1CCCC2(CCCCC2)CC1 ZINC000470774351 885241724 /nfs/dbraw/zinc/24/17/24/885241724.db2.gz SFAFGRIGGSFUBA-INIZCTEOSA-N 0 0 419.547 4.224 20 5 HIBDRN O=C(NCc1nnc(-c2ccccc2)s1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000470791926 885270489 /nfs/dbraw/zinc/27/04/89/885270489.db2.gz GGSQMAQNLUDSQN-UHFFFAOYSA-N 0 0 421.385 4.036 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000470814547 885302281 /nfs/dbraw/zinc/30/22/81/885302281.db2.gz YJMIEFBPXGFEJC-AWEZNQCLSA-N 0 0 402.447 4.280 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1c(C)cc(Br)cc1C ZINC000470887359 885382679 /nfs/dbraw/zinc/38/26/79/885382679.db2.gz CNDCXKKJCXKJPR-UHFFFAOYSA-N 0 0 407.264 4.303 20 5 HIBDRN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470886924 885382800 /nfs/dbraw/zinc/38/28/00/885382800.db2.gz YXNACYCSOVQPNC-INIZCTEOSA-N 0 0 408.458 4.077 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)CSc1ccccc1OC ZINC000470896559 885395017 /nfs/dbraw/zinc/39/50/17/885395017.db2.gz GXTMMEYPDNVPKD-CQSZACIVSA-N 0 0 404.488 4.160 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000470928246 885431328 /nfs/dbraw/zinc/43/13/28/885431328.db2.gz BUXWEDOGTNUYRR-UHFFFAOYSA-N 0 0 403.398 4.184 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000470963098 885461742 /nfs/dbraw/zinc/46/17/42/885461742.db2.gz YWADXJGIMJXQRY-FQEVSTJZSA-N 0 0 406.442 4.118 20 5 HIBDRN O=C(CCSCc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000470977665 885478344 /nfs/dbraw/zinc/47/83/44/885478344.db2.gz VTVUUNTVKLYGPV-UHFFFAOYSA-N 0 0 400.500 4.288 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000504035677 912943070 /nfs/dbraw/zinc/94/30/70/912943070.db2.gz ZNGDTDGKFOXDCF-UHFFFAOYSA-N 0 0 415.298 4.258 20 5 HIBDRN Cn1nc(C(F)F)c2cc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)sc21 ZINC000471051572 885565387 /nfs/dbraw/zinc/56/53/87/885565387.db2.gz BEHJCGKWPNPNPR-UHFFFAOYSA-N 0 0 406.414 4.285 20 5 HIBDRN Cc1ccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(-n2cc(Cl)cn2)n1 ZINC000471085959 885613443 /nfs/dbraw/zinc/61/34/43/885613443.db2.gz PPISVOXGQXMMLM-UHFFFAOYSA-N 0 0 420.256 4.029 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000471129241 885667162 /nfs/dbraw/zinc/66/71/62/885667162.db2.gz MUEZCASSPLUDCB-LPHOPBHVSA-N 0 0 402.422 4.125 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1cc(OC)ccc1Br ZINC000471165244 885721504 /nfs/dbraw/zinc/72/15/04/885721504.db2.gz MGSUJRJITKEYGJ-UHFFFAOYSA-N 0 0 423.263 4.037 20 5 HIBDRN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)c1cccc(O)c1 ZINC000471181342 885746542 /nfs/dbraw/zinc/74/65/42/885746542.db2.gz DZDBGFBRQRZOGL-LBPRGKRZSA-N 0 0 422.279 4.085 20 5 HIBDRN CN(Cc1cc(Br)cs1)C(=O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000471300433 885888471 /nfs/dbraw/zinc/88/84/71/885888471.db2.gz IZJZQVHTGCMDEL-UHFFFAOYSA-N 0 0 419.684 4.110 20 5 HIBDRN COc1cc(C(=O)N(C)Cc2ccccc2SC)c([N+](=O)[O-])cc1OC(F)F ZINC000471314289 885905113 /nfs/dbraw/zinc/90/51/13/885905113.db2.gz LAQQCJZZCWQKIU-UHFFFAOYSA-N 0 0 412.414 4.199 20 5 HIBDRN Cc1c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cccc1NC(=O)N(C)C ZINC000471330469 885928710 /nfs/dbraw/zinc/92/87/10/885928710.db2.gz RFSSJRGZMACMHR-UHFFFAOYSA-N 0 0 410.352 4.268 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000504089148 912998147 /nfs/dbraw/zinc/99/81/47/912998147.db2.gz LQYGIHOSJYOGAR-UHFFFAOYSA-N 0 0 414.462 4.352 20 5 HIBDRN CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000504092229 913002784 /nfs/dbraw/zinc/00/27/84/913002784.db2.gz VGVGSWXEHLLVTK-UHFFFAOYSA-N 0 0 402.451 4.247 20 5 HIBDRN COc1ncc(C)cc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000471429807 886086644 /nfs/dbraw/zinc/08/66/44/886086644.db2.gz ZNHZECMGTSMXLX-UHFFFAOYSA-N 0 0 401.366 4.056 20 5 HIBDRN CCC(CC)N(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000471442263 886107284 /nfs/dbraw/zinc/10/72/84/886107284.db2.gz ROEYOXZZMAIWGH-UHFFFAOYSA-N 0 0 404.488 4.142 20 5 HIBDRN COc1cccc([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2cc(F)ccc2OC)c1 ZINC000471466537 886152230 /nfs/dbraw/zinc/15/22/30/886152230.db2.gz GQBUEXXRCPFCKA-LJQANCHMSA-N 0 0 416.430 4.332 20 5 HIBDRN O=[N+]([O-])c1ccc(OC[C@H](O)COc2c(Cl)cccc2Cl)c2cccnc21 ZINC000471473736 886167566 /nfs/dbraw/zinc/16/75/66/886167566.db2.gz ZJHUGQWGLBDVNF-NSHDSACASA-N 0 0 409.225 4.269 20 5 HIBDRN CN1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2cc(Cl)ccc21 ZINC000471511436 886212471 /nfs/dbraw/zinc/21/24/71/886212471.db2.gz IJGMCUYVUPVKMO-UHFFFAOYSA-N 0 0 414.874 4.468 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000471513153 886214316 /nfs/dbraw/zinc/21/43/16/886214316.db2.gz FGTVDVPUEZTKBY-UHFFFAOYSA-N 0 0 414.805 4.437 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000471515249 886217209 /nfs/dbraw/zinc/21/72/09/886217209.db2.gz ITWSJBDPPWPJDZ-XJKSGUPXSA-N 0 0 421.266 4.491 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000471526709 886229422 /nfs/dbraw/zinc/22/94/22/886229422.db2.gz GZAGTTAGYXMAJZ-GDBMZVCRSA-N 0 0 402.422 4.207 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)Cc2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000471542807 886249686 /nfs/dbraw/zinc/24/96/86/886249686.db2.gz OYYFRLYGTZPZGG-UHFFFAOYSA-N 0 0 400.456 4.241 20 5 HIBDRN Cn1cc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000471552517 886260851 /nfs/dbraw/zinc/26/08/51/886260851.db2.gz SRFDKGCNJGQOKT-WMZOPIPTSA-N 0 0 408.433 4.201 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncccc1OCc1cccc(Cl)c1 ZINC000471577109 886289104 /nfs/dbraw/zinc/28/91/04/886289104.db2.gz HPPUNLVNTYYHSX-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2F)cccc1-c1nnc2n1CCCCC2 ZINC000504122673 913029333 /nfs/dbraw/zinc/02/93/33/913029333.db2.gz XXPHLOVYBCWGSX-UHFFFAOYSA-N 0 0 409.421 4.280 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000471629617 886347408 /nfs/dbraw/zinc/34/74/08/886347408.db2.gz UVVKFQWAPTTZMJ-UHFFFAOYSA-N 0 0 411.393 4.102 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](COc2ccccc2)C1 ZINC000504139956 913039225 /nfs/dbraw/zinc/03/92/25/913039225.db2.gz HNNQBYURVOWWSM-OAHLLOKOSA-N 0 0 409.467 4.259 20 5 HIBDRN COc1cccc(C=C2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC2)c1 ZINC000471736388 886457079 /nfs/dbraw/zinc/45/70/79/886457079.db2.gz LSQBJOKWZHPCMK-UHFFFAOYSA-N 0 0 407.470 4.179 20 5 HIBDRN COc1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000471736974 886457445 /nfs/dbraw/zinc/45/74/45/886457445.db2.gz LQNWWAULVYXCBW-UHFFFAOYSA-N 0 0 408.252 4.197 20 5 HIBDRN Cc1cc2c(cc1C)[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)CO2 ZINC000471741811 886464191 /nfs/dbraw/zinc/46/41/91/886464191.db2.gz TVWOXPNXRVFQDD-MRXNPFEDSA-N 0 0 408.376 4.279 20 5 HIBDRN CCOC(=O)c1ccnc(N[C@H](c2cccc(Cl)c2)c2ccccn2)c1[N+](=O)[O-] ZINC000471744507 886469085 /nfs/dbraw/zinc/46/90/85/886469085.db2.gz FAYLGHGTDGAKIQ-QGZVFWFLSA-N 0 0 412.833 4.416 20 5 HIBDRN O=C(Nc1ccnc(-c2ccccc2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000504151813 913047275 /nfs/dbraw/zinc/04/72/75/913047275.db2.gz SEIRZYKWRYSFRR-UHFFFAOYSA-N 0 0 403.442 4.011 20 5 HIBDRN COc1ccc(CC2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC2)cc1 ZINC000504164852 913054325 /nfs/dbraw/zinc/05/43/25/913054325.db2.gz KDWGGRXBWWTQSZ-UHFFFAOYSA-N 0 0 423.513 4.299 20 5 HIBDRN CCOC(=O)CN(C(=O)c1csc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000471836491 886592796 /nfs/dbraw/zinc/59/27/96/886592796.db2.gz IKJKVLTVHPFZMO-UHFFFAOYSA-N 0 0 403.243 4.173 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c(F)c1 ZINC000504184104 913066792 /nfs/dbraw/zinc/06/67/92/913066792.db2.gz NRCRARNCEUFADL-GOSISDBHSA-N 0 0 413.371 4.238 20 5 HIBDRN CCc1ccc(C(=O)Nc2cccc(CSCCC(=O)OC)c2)cc1[N+](=O)[O-] ZINC000471889592 886669743 /nfs/dbraw/zinc/66/97/43/886669743.db2.gz URVQEVNFRNOEDG-UHFFFAOYSA-N 0 0 402.472 4.206 20 5 HIBDRN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000471898271 886680782 /nfs/dbraw/zinc/68/07/82/886680782.db2.gz VETBLXCHOGEWET-INIZCTEOSA-N 0 0 405.454 4.349 20 5 HIBDRN CCc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000471927926 886717945 /nfs/dbraw/zinc/71/79/45/886717945.db2.gz FMHDJMUHVMNKLC-UHFFFAOYSA-N 0 0 404.488 4.123 20 5 HIBDRN CCN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471928951 886719646 /nfs/dbraw/zinc/71/96/46/886719646.db2.gz TWTUPJBOLXZHMT-PKOBYXMFSA-N 0 0 422.407 4.278 20 5 HIBDRN Cc1cc(-c2noc([C@@H](C)NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000471982696 886810662 /nfs/dbraw/zinc/81/06/62/886810662.db2.gz CRKMQQDSUZAGOI-CHWSQXEVSA-N 0 0 413.409 4.214 20 5 HIBDRN COc1cccc2c1nc(NC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C)n2C ZINC000472101313 886893157 /nfs/dbraw/zinc/89/31/57/886893157.db2.gz CUYSHZSOCGOHRO-UHFFFAOYSA-N 0 0 414.487 4.491 20 5 HIBDRN CCC1(CNC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])CCCC1 ZINC000472207423 887008934 /nfs/dbraw/zinc/00/89/34/887008934.db2.gz RYMGKEKUBIFRSZ-UHFFFAOYSA-N 0 0 419.503 4.339 20 5 HIBDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000472226274 887032044 /nfs/dbraw/zinc/03/20/44/887032044.db2.gz VLXJGWVXKYAYGR-UHFFFAOYSA-N 0 0 422.485 4.148 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000472286325 887103943 /nfs/dbraw/zinc/10/39/43/887103943.db2.gz MKXXCUDYFQXLPA-OAQYLSRUSA-N 0 0 411.845 4.318 20 5 HIBDRN O=C(c1ncoc1-c1ccc(F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000472303235 887125905 /nfs/dbraw/zinc/12/59/05/887125905.db2.gz DQJOKDQSZLGQKW-UHFFFAOYSA-N 0 0 411.389 4.073 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(CC(F)(F)F)c4ccccc43)o2)cc1 ZINC000472317492 887150492 /nfs/dbraw/zinc/15/04/92/887150492.db2.gz GNNSSCHEBPFUDM-UHFFFAOYSA-N 0 0 419.363 4.034 20 5 HIBDRN CCc1c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccc(OC)cc1 ZINC000472322918 887155639 /nfs/dbraw/zinc/15/56/39/887155639.db2.gz GNSKQVDZDHLOKL-HNNXBMFYSA-N 0 0 408.458 4.151 20 5 HIBDRN O=C(NCC1CCN(c2ccccc2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000472374870 887214857 /nfs/dbraw/zinc/21/48/57/887214857.db2.gz KDFVIFKFQBYXNY-UHFFFAOYSA-N 0 0 408.502 4.185 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc1 ZINC000472378861 887221210 /nfs/dbraw/zinc/22/12/10/887221210.db2.gz GCRJCCHTVMILKN-CQSZACIVSA-N 0 0 419.441 4.039 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)n2)ccc1F ZINC000472383459 887227466 /nfs/dbraw/zinc/22/74/66/887227466.db2.gz FROWOAZPLLSOTE-JTQLQIEISA-N 0 0 404.785 4.237 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ncc(C(C)(C)C)o3)cc2[N+](=O)[O-])C1 ZINC000472394372 887241299 /nfs/dbraw/zinc/24/12/99/887241299.db2.gz BHZHHOMWRIKZSA-HUUCEWRRSA-N 0 0 414.506 4.293 20 5 HIBDRN CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2OC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000472481706 887345982 /nfs/dbraw/zinc/34/59/82/887345982.db2.gz UODMODQJAYRJQS-UHFFFAOYSA-N 0 0 416.474 4.452 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000504292797 913145966 /nfs/dbraw/zinc/14/59/66/913145966.db2.gz DUURFHAIJLNNFA-LQAWEQHXSA-N 0 0 401.260 4.439 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000472565127 887452406 /nfs/dbraw/zinc/45/24/06/887452406.db2.gz RVNDXIOEKPLTKX-NSHDSACASA-N 0 0 416.434 4.305 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000472593947 887469375 /nfs/dbraw/zinc/46/93/75/887469375.db2.gz AKGTWDRQYXUFLI-UHFFFAOYSA-N 0 0 414.817 4.004 20 5 HIBDRN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@]1(c2ccccc2)CCCCC1=O ZINC000472601149 887472970 /nfs/dbraw/zinc/47/29/70/887472970.db2.gz MDVZZGFIQTTZJU-QFIPXVFZSA-N 0 0 406.442 4.115 20 5 HIBDRN Cc1cccc(Oc2ccccc2CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000472610082 887479902 /nfs/dbraw/zinc/47/99/02/887479902.db2.gz RZMXXCHEAIAIKK-UHFFFAOYSA-N 0 0 423.400 4.090 20 5 HIBDRN CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472626783 887493460 /nfs/dbraw/zinc/49/34/60/887493460.db2.gz CTKWWVGSHUKTRY-QGZVFWFLSA-N 0 0 407.829 4.182 20 5 HIBDRN CCOc1ccc(C(=O)CCC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000472648169 887511276 /nfs/dbraw/zinc/51/12/76/887511276.db2.gz IRNDOLDECVQXDE-UHFFFAOYSA-N 0 0 422.840 4.108 20 5 HIBDRN CCNc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(CC)cc3)no2)cc1[N+](=O)[O-] ZINC000472665967 887522440 /nfs/dbraw/zinc/52/24/40/887522440.db2.gz LMKPQBPYJCSMPF-ZDUSSCGKSA-N 0 0 409.446 4.130 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000472741111 887585708 /nfs/dbraw/zinc/58/57/08/887585708.db2.gz RHYOUUQDAJRPFM-NRFANRHFSA-N 0 0 419.412 4.143 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000504312107 913161769 /nfs/dbraw/zinc/16/17/69/913161769.db2.gz YEFVEXBEAGUFNO-LBPRGKRZSA-N 0 0 424.407 4.139 20 5 HIBDRN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000472828446 887676394 /nfs/dbraw/zinc/67/63/94/887676394.db2.gz GMOFBOJMUNUFNA-INIZCTEOSA-N 0 0 416.441 4.147 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000504329658 913173124 /nfs/dbraw/zinc/17/31/24/913173124.db2.gz TUMNEPGIIDRHDZ-CYBMUJFWSA-N 0 0 410.405 4.084 20 5 HIBDRN COc1cccc(C=C2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000472953148 887802341 /nfs/dbraw/zinc/80/23/41/887802341.db2.gz MUXGAECQGNXSEZ-UHFFFAOYSA-N 0 0 405.454 4.264 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC3(Cc4ccccc4)CCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000472964276 887811323 /nfs/dbraw/zinc/81/13/23/887811323.db2.gz FVJMARYNRVXWBX-UHFFFAOYSA-N 0 0 418.497 4.352 20 5 HIBDRN C[C@@H]1C[C@@H](O)CN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000473009071 887839104 /nfs/dbraw/zinc/83/91/04/887839104.db2.gz LXBRKIXLIHBMJM-OIVKUWQPSA-N 0 0 423.494 4.117 20 5 HIBDRN O=C(CN1CC=C(c2c(F)cccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000473178987 887957842 /nfs/dbraw/zinc/95/78/42/887957842.db2.gz UPOWIVUZIGHNHM-UHFFFAOYSA-N 0 0 407.804 4.254 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1[N+](=O)[O-] ZINC000473185295 887965128 /nfs/dbraw/zinc/96/51/28/887965128.db2.gz SWIPWFVYDZPQBX-UHFFFAOYSA-N 0 0 421.457 4.183 20 5 HIBDRN O=C(NCCc1cccc(-c2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000473373853 888091889 /nfs/dbraw/zinc/09/18/89/888091889.db2.gz RHLJKYLBAMXVEZ-UHFFFAOYSA-N 0 0 423.856 4.213 20 5 HIBDRN Cc1nn(-c2ccccc2)c2nc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)ccc12 ZINC000504387576 913212437 /nfs/dbraw/zinc/21/24/37/913212437.db2.gz KBZQANKYTDQSDS-CQSZACIVSA-N 0 0 413.437 4.229 20 5 HIBDRN COc1cc(CCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F ZINC000504389751 913213516 /nfs/dbraw/zinc/21/35/16/913213516.db2.gz VTPQFJBTQUFWRL-UHFFFAOYSA-N 0 0 412.364 4.424 20 5 HIBDRN CCOc1ccc(NC(=O)CNC(C)(C)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000473441193 888162086 /nfs/dbraw/zinc/16/20/86/888162086.db2.gz METHWEQGTJTQMP-UHFFFAOYSA-N 0 0 409.845 4.249 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000504400586 913220703 /nfs/dbraw/zinc/22/07/03/913220703.db2.gz DQXNSUPSYHSBQW-LBPRGKRZSA-N 0 0 416.359 4.391 20 5 HIBDRN Cc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473512904 888241910 /nfs/dbraw/zinc/24/19/10/888241910.db2.gz JNZNENXEISZDES-UHFFFAOYSA-N 0 0 424.339 4.331 20 5 HIBDRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000473512667 888242950 /nfs/dbraw/zinc/24/29/50/888242950.db2.gz KWRPMGHPPVYPNY-GOSISDBHSA-N 0 0 406.442 4.068 20 5 HIBDRN Cc1cc(NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(Br)cc1[N+](=O)[O-] ZINC000473522745 888258760 /nfs/dbraw/zinc/25/87/60/888258760.db2.gz UIIHYRRTGDDVCC-HNNXBMFYSA-N 0 0 418.291 4.126 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000473528131 888265937 /nfs/dbraw/zinc/26/59/37/888265937.db2.gz HGNWJYWMBUDBQE-MDNHHPLHSA-N 0 0 406.529 4.032 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC(Nc3nc4ccccc4cc3[N+](=O)[O-])CC2)cc1 ZINC000473533371 888270517 /nfs/dbraw/zinc/27/05/17/888270517.db2.gz SMOXNVHGTMVPHE-UHFFFAOYSA-N 0 0 420.469 4.258 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)[C@@H](C)c1ccccc1 ZINC000473534096 888271647 /nfs/dbraw/zinc/27/16/47/888271647.db2.gz UQBDUWWKBWKLEN-VXGBXAGGSA-N 0 0 424.238 4.121 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H](C)[C@@H](C)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000473558852 888298545 /nfs/dbraw/zinc/29/85/45/888298545.db2.gz CGIPBPRHXHUEGY-CVEARBPZSA-N 0 0 406.486 4.378 20 5 HIBDRN COc1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc(-n2cccn2)c1 ZINC000473654501 888403905 /nfs/dbraw/zinc/40/39/05/888403905.db2.gz PTORHNPQJFCFDM-UHFFFAOYSA-N 0 0 410.433 4.128 20 5 HIBDRN Cn1cnc2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc21 ZINC000473706946 888484061 /nfs/dbraw/zinc/48/40/61/888484061.db2.gz SBFWHANTFVUYCR-UHFFFAOYSA-N 0 0 404.376 4.099 20 5 HIBDRN CCCOc1cc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c([N+](=O)[O-])cc1OCCC ZINC000473761371 888555192 /nfs/dbraw/zinc/55/51/92/888555192.db2.gz GHRZRFCAZUDGPZ-RKVPGOIHSA-N 0 0 421.494 4.252 20 5 HIBDRN Cc1cc(NC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] ZINC000473778050 888581351 /nfs/dbraw/zinc/58/13/51/888581351.db2.gz JGIFWYXDMQGZKH-NSHDSACASA-N 0 0 401.810 4.489 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000473787219 888597628 /nfs/dbraw/zinc/59/76/28/888597628.db2.gz NAKIBCANJOJDNF-UHFFFAOYSA-N 0 0 419.363 4.164 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1 ZINC000473843211 888686953 /nfs/dbraw/zinc/68/69/53/888686953.db2.gz MJQDZIXXRAZKPE-LJQANCHMSA-N 0 0 424.413 4.223 20 5 HIBDRN Cc1cc(Br)c(F)cc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000473854991 888704871 /nfs/dbraw/zinc/70/48/71/888704871.db2.gz PSCJLNKYNAVAFM-UHFFFAOYSA-N 0 0 411.231 4.038 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cccc1[N+](=O)[O-] ZINC000473927147 888805820 /nfs/dbraw/zinc/80/58/20/888805820.db2.gz HEJSGWILTBXNKG-CQSZACIVSA-N 0 0 423.256 4.137 20 5 HIBDRN COc1ccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)(C)C)c(OC)c1 ZINC000474179603 889019076 /nfs/dbraw/zinc/01/90/76/889019076.db2.gz SUPNEQMYBAXLCN-UHFFFAOYSA-N 0 0 415.490 4.160 20 5 HIBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2cccnc2)cc1 ZINC000474216263 889054687 /nfs/dbraw/zinc/05/46/87/889054687.db2.gz WCUFIJYYPSEESJ-ZDUSSCGKSA-N 0 0 417.874 4.350 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000474232324 889075885 /nfs/dbraw/zinc/07/58/85/889075885.db2.gz WNHGMUKJPYFZSZ-XCLFUZPHSA-N 0 0 413.861 4.261 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cc(-c2ccccn2)no1 ZINC000474265613 889127366 /nfs/dbraw/zinc/12/73/66/889127366.db2.gz KNZYMICZRHFMEB-UHFFFAOYSA-N 0 0 414.377 4.128 20 5 HIBDRN Cc1sc(NC(=O)c2cc(-c3ccccn3)no2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000474363860 889242431 /nfs/dbraw/zinc/24/24/31/889242431.db2.gz XRXRTJDPTMDQNL-UHFFFAOYSA-N 0 0 407.411 4.329 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@H](CO)c2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000474508370 889370713 /nfs/dbraw/zinc/37/07/13/889370713.db2.gz CIXFEWYXPXSOQK-IAQYHMDHSA-N 0 0 412.273 4.304 20 5 HIBDRN Cc1cccc(CC2(O)CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000474515834 889382929 /nfs/dbraw/zinc/38/29/29/889382929.db2.gz OJNBFMWMEJFMTF-SFHVURJKSA-N 0 0 411.502 4.052 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)O[C@@](C)(CC)O3)cc1OC ZINC000474649495 889511852 /nfs/dbraw/zinc/51/18/52/889511852.db2.gz SHGPBKJDJGXCQZ-FQEVSTJZSA-N 0 0 402.403 4.152 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)O[C@](C)(CC)O3)cc1OC ZINC000474649496 889512035 /nfs/dbraw/zinc/51/20/35/889512035.db2.gz SHGPBKJDJGXCQZ-HXUWFJFHSA-N 0 0 402.403 4.152 20 5 HIBDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccccc1[N+](=O)[O-] ZINC000474648865 889512206 /nfs/dbraw/zinc/51/22/06/889512206.db2.gz HYHFPCQSSHBKNH-MVWJERBFSA-N 0 0 410.293 4.335 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000474760064 889617846 /nfs/dbraw/zinc/61/78/46/889617846.db2.gz VMFYPSOTISKSID-UHFFFAOYSA-N 0 0 411.849 4.123 20 5 HIBDRN Cc1ccc([C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2cc(C)ccc2F)cc1 ZINC000474773010 889630854 /nfs/dbraw/zinc/63/08/54/889630854.db2.gz FVFVJDPHZFTQLT-QGZVFWFLSA-N 0 0 423.444 4.307 20 5 HIBDRN CSc1ccc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1Cl ZINC000474774646 889632075 /nfs/dbraw/zinc/63/20/75/889632075.db2.gz KOUAKFFMFRHHAW-UHFFFAOYSA-N 0 0 403.851 4.112 20 5 HIBDRN COC(=O)c1cc(NCc2ccc(OCc3ccccn3)cc2)cc(C)c1[N+](=O)[O-] ZINC000474778247 889635224 /nfs/dbraw/zinc/63/52/24/889635224.db2.gz ZCVDEALWARQQES-UHFFFAOYSA-N 0 0 407.426 4.276 20 5 HIBDRN CCOc1cc(CNc2ncc(Br)cc2[N+](=O)[O-])ccc1OC(F)F ZINC000474783238 889640116 /nfs/dbraw/zinc/64/01/16/889640116.db2.gz ILSAQBMCGYRHOR-UHFFFAOYSA-N 0 0 418.194 4.365 20 5 HIBDRN COC(=O)c1cc(NCc2ccc(C)cc2OC[C@@H]2CCOC2)cc(C)c1[N+](=O)[O-] ZINC000474790112 889647164 /nfs/dbraw/zinc/64/71/64/889647164.db2.gz YNBQEBMFAFWBLN-MRXNPFEDSA-N 0 0 414.458 4.026 20 5 HIBDRN CCOc1cccc(CNc2ncc(Br)cc2[N+](=O)[O-])c1OC(F)F ZINC000474791308 889647224 /nfs/dbraw/zinc/64/72/24/889647224.db2.gz OPHGIZNXENOBNR-UHFFFAOYSA-N 0 0 418.194 4.365 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC(CC(C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000504621296 913374210 /nfs/dbraw/zinc/37/42/10/913374210.db2.gz NTIGEWVIYKXLAA-HXUWFJFHSA-N 0 0 403.523 4.085 20 5 HIBDRN C[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ncnn1C ZINC000474876831 889730761 /nfs/dbraw/zinc/73/07/61/889730761.db2.gz XBHMKKZHKZXNFD-LLVKDONJSA-N 0 0 417.878 4.019 20 5 HIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474886250 889742206 /nfs/dbraw/zinc/74/22/06/889742206.db2.gz HGQDZPVDKNZANV-MRXNPFEDSA-N 0 0 414.767 4.481 20 5 HIBDRN COc1c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)cccc1[N+](=O)[O-] ZINC000474893214 889750376 /nfs/dbraw/zinc/75/03/76/889750376.db2.gz CKDCCVIZQXRQAS-UHFFFAOYSA-N 0 0 421.457 4.149 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1OCC(F)F ZINC000475003053 889854348 /nfs/dbraw/zinc/85/43/48/889854348.db2.gz PRRCLNSTTNNLOI-UHFFFAOYSA-N 0 0 415.190 4.182 20 5 HIBDRN COc1c(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)cccc1[N+](=O)[O-] ZINC000475029519 889882508 /nfs/dbraw/zinc/88/25/08/889882508.db2.gz JCHXVWNCWYBGOX-UHFFFAOYSA-N 0 0 411.458 4.036 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1COc2ccc(Cl)cc21 ZINC000475073568 889919556 /nfs/dbraw/zinc/91/95/56/889919556.db2.gz HJHIGYYXYKQSRV-GOSISDBHSA-N 0 0 404.853 4.058 20 5 HIBDRN COc1ccc(CN(Cc2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000475101174 889948900 /nfs/dbraw/zinc/94/89/00/889948900.db2.gz MIVFFMOPXXNYKB-UHFFFAOYSA-N 0 0 406.438 4.455 20 5 HIBDRN COc1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000475102541 889950899 /nfs/dbraw/zinc/95/08/99/889950899.db2.gz IHXKJWPEFGVELF-CYBMUJFWSA-N 0 0 406.822 4.067 20 5 HIBDRN C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000475107526 889955323 /nfs/dbraw/zinc/95/53/23/889955323.db2.gz IHGGVPGRMQFOQR-FZKQIMNGSA-N 0 0 423.391 4.458 20 5 HIBDRN CC(C)(NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000475124349 889983923 /nfs/dbraw/zinc/98/39/23/889983923.db2.gz ZZOYATNTNXAGFR-UHFFFAOYSA-N 0 0 414.849 4.282 20 5 HIBDRN O=C(c1ccc(Cl)cc1NCc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1CCO ZINC000475179634 890048924 /nfs/dbraw/zinc/04/89/24/890048924.db2.gz CVGFAUUOXJYVBG-KRWDZBQOSA-N 0 0 417.893 4.237 20 5 HIBDRN Cc1nnc(-c2cccc(NC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c2)n1C ZINC000475183445 890053880 /nfs/dbraw/zinc/05/38/80/890053880.db2.gz JTSVKXHMHYPQAQ-UHFFFAOYSA-N 0 0 420.351 4.362 20 5 HIBDRN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000475211899 890081906 /nfs/dbraw/zinc/08/19/06/890081906.db2.gz XAWGZIKNRALLAW-LBPRGKRZSA-N 0 0 417.384 4.199 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000475213066 890082223 /nfs/dbraw/zinc/08/22/23/890082223.db2.gz FNTJXPJDUBKJGY-MRVPVSSYSA-N 0 0 401.345 4.177 20 5 HIBDRN CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000475232782 890103867 /nfs/dbraw/zinc/10/38/67/890103867.db2.gz MZGGPGAUTQAIPN-WBMJQRKESA-N 0 0 422.865 4.186 20 5 HIBDRN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000475296232 890203485 /nfs/dbraw/zinc/20/34/85/890203485.db2.gz LGVQPSFCSFHFHC-UHFFFAOYSA-N 0 0 423.816 4.418 20 5 HIBDRN C[C@@H]1OCC[C@]12CN(Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CCO2 ZINC000475296453 890204218 /nfs/dbraw/zinc/20/42/18/890204218.db2.gz VBWPJUHSKOTKFO-BTYIYWSLSA-N 0 0 418.877 4.420 20 5 HIBDRN Cc1nc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)ccc1[N+](=O)[O-] ZINC000475312889 890226317 /nfs/dbraw/zinc/22/63/17/890226317.db2.gz YISIUHSHOVXSDG-UHFFFAOYSA-N 0 0 410.377 4.498 20 5 HIBDRN COc1cccc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)c1[N+](=O)[O-] ZINC000475353098 890277639 /nfs/dbraw/zinc/27/76/39/890277639.db2.gz PWAOAHRGDRZLEA-UHFFFAOYSA-N 0 0 401.426 4.463 20 5 HIBDRN COCCSc1ccc([C@@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000504710430 913442776 /nfs/dbraw/zinc/44/27/76/913442776.db2.gz BJHIRKVJEWYESF-CQSZACIVSA-N 0 0 406.529 4.303 20 5 HIBDRN COc1c(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)cccc1[N+](=O)[O-] ZINC000475444767 890363044 /nfs/dbraw/zinc/36/30/44/890363044.db2.gz NKMOTFVAMBRTJL-UHFFFAOYSA-N 0 0 407.879 4.062 20 5 HIBDRN Cc1nc(CC2CC2)oc1C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000475477025 890384496 /nfs/dbraw/zinc/38/44/96/890384496.db2.gz DBKQHMNDRDVOAQ-UHFFFAOYSA-N 0 0 405.410 4.327 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000475550730 890477567 /nfs/dbraw/zinc/47/75/67/890477567.db2.gz WBKZBQKBMXWVND-QGZVFWFLSA-N 0 0 416.865 4.134 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000475565368 890494077 /nfs/dbraw/zinc/49/40/77/890494077.db2.gz DQOIWZWPVSAWEK-QFBILLFUSA-N 0 0 404.417 4.057 20 5 HIBDRN COc1cccc([C@@H](C)N2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)c1 ZINC000475579130 890508065 /nfs/dbraw/zinc/50/80/65/890508065.db2.gz FXIQIXYCEPBZML-QGZVFWFLSA-N 0 0 412.490 4.131 20 5 HIBDRN COC(=O)COc1ccc(CN2CCC[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000475585009 890513671 /nfs/dbraw/zinc/51/36/71/890513671.db2.gz UMHKISJPZFEDBU-QGZVFWFLSA-N 0 0 404.850 4.137 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000475638880 890580495 /nfs/dbraw/zinc/58/04/95/890580495.db2.gz OFKQEXJZRRYTNY-HNNXBMFYSA-N 0 0 422.279 4.219 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2N(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000475709299 890648745 /nfs/dbraw/zinc/64/87/45/890648745.db2.gz KGBNPSFJBHYXBR-MRXNPFEDSA-N 0 0 424.501 4.098 20 5 HIBDRN COc1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1NC(N)=O ZINC000475723222 890661763 /nfs/dbraw/zinc/66/17/63/890661763.db2.gz VZVQQCRCXOLDJM-UHFFFAOYSA-N 0 0 421.413 4.090 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Br)c(F)cc2C)c([N+](=O)[O-])cc1OC ZINC000475782918 890724770 /nfs/dbraw/zinc/72/47/70/890724770.db2.gz WJWYYRNUKBVZDC-UHFFFAOYSA-N 0 0 413.199 4.074 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(OC(F)F)c3cccnc23)cc1[N+](=O)[O-] ZINC000475846286 890778974 /nfs/dbraw/zinc/77/89/74/890778974.db2.gz FENPBHOQNNDENJ-UHFFFAOYSA-N 0 0 403.341 4.395 20 5 HIBDRN C[C@H](C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1)c1ccc([N+](=O)[O-])cc1F ZINC000475859196 890795030 /nfs/dbraw/zinc/79/50/30/890795030.db2.gz ZPCRZNUELSLLOS-VOJFVSQTSA-N 0 0 410.804 4.230 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000475877456 890812992 /nfs/dbraw/zinc/81/29/92/890812992.db2.gz ABLCRBVERONTGN-UHFFFAOYSA-N 0 0 404.264 4.113 20 5 HIBDRN COc1cc(OCc2csc(CC(=O)Nc3ccc(C)cc3)n2)ccc1[N+](=O)[O-] ZINC000475879118 890814331 /nfs/dbraw/zinc/81/43/31/890814331.db2.gz DJOCASRZLLLWTI-UHFFFAOYSA-N 0 0 413.455 4.129 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000475928199 890853544 /nfs/dbraw/zinc/85/35/44/890853544.db2.gz HHMNSPZJJISCHF-GFCCVEGCSA-N 0 0 405.476 4.088 20 5 HIBDRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000475960926 890881911 /nfs/dbraw/zinc/88/19/11/890881911.db2.gz YFSIOOCKEDCLOS-IBGZPJMESA-N 0 0 406.486 4.397 20 5 HIBDRN CCCc1[nH]nc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)c1[N+](=O)[O-] ZINC000476020808 890953076 /nfs/dbraw/zinc/95/30/76/890953076.db2.gz OPWTZPDURKJKFP-UHFFFAOYSA-N 0 0 410.365 4.314 20 5 HIBDRN CCCCOc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cn1 ZINC000476062057 890991182 /nfs/dbraw/zinc/99/11/82/890991182.db2.gz NNGFIRJPKQSNBV-UHFFFAOYSA-N 0 0 413.352 4.362 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000476106738 891027183 /nfs/dbraw/zinc/02/71/83/891027183.db2.gz QTDQOZVOTLKEAB-OAHLLOKOSA-N 0 0 422.268 4.135 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000476120521 891041703 /nfs/dbraw/zinc/04/17/03/891041703.db2.gz VLBUHEFVYBAKPT-UHFFFAOYSA-N 0 0 423.469 4.250 20 5 HIBDRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000476126402 891048898 /nfs/dbraw/zinc/04/88/98/891048898.db2.gz AUVXSIOGUJZFEQ-LEWJYISDSA-N 0 0 419.485 4.282 20 5 HIBDRN COC(=O)C(C)(C)CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476138874 891062466 /nfs/dbraw/zinc/06/24/66/891062466.db2.gz GGPVMXIEFWOWPL-UHFFFAOYSA-N 0 0 401.419 4.098 20 5 HIBDRN O=C(c1ccn(Cc2ccccc2)n1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000476152862 891075629 /nfs/dbraw/zinc/07/56/29/891075629.db2.gz PMDCPNBASHUVQV-UHFFFAOYSA-N 0 0 418.375 4.044 20 5 HIBDRN COCc1cc([N+](=O)[O-])ccc1NCCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000476219300 891146696 /nfs/dbraw/zinc/14/66/96/891146696.db2.gz PYHSQBSPNYUTGV-UHFFFAOYSA-N 0 0 407.854 4.152 20 5 HIBDRN CC[C@H](NC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000476247384 891171978 /nfs/dbraw/zinc/17/19/78/891171978.db2.gz FSDUGNXQJUQNEV-KRWDZBQOSA-N 0 0 413.865 4.327 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC(C)(C)[C@H]3c3ccncc3)cc2)c(C)c1[N+](=O)[O-] ZINC000476320590 891229410 /nfs/dbraw/zinc/22/94/10/891229410.db2.gz KIMHXQMNGQZFDE-OAQYLSRUSA-N 0 0 419.485 4.075 20 5 HIBDRN Cc1ccc(-n2c(SCc3c([N+](=O)[O-])ncn3C)nnc2-c2ccccc2)cc1 ZINC000476455843 891367600 /nfs/dbraw/zinc/36/76/00/891367600.db2.gz FLTRXQNIOLBMBI-UHFFFAOYSA-N 0 0 406.471 4.177 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000476476103 891386468 /nfs/dbraw/zinc/38/64/68/891386468.db2.gz KZLAXGDSBVTTKO-UHFFFAOYSA-N 0 0 404.455 4.140 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1nc(SCc2ccccc2)ns1 ZINC000476482197 891392524 /nfs/dbraw/zinc/39/25/24/891392524.db2.gz KRPSTOBWXLRIID-UHFFFAOYSA-N 0 0 415.500 4.403 20 5 HIBDRN COc1cc(CSc2nc3cc(Cl)cnc3[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000476483891 891395152 /nfs/dbraw/zinc/39/51/52/891395152.db2.gz OLUDMWNNNZHUNK-UHFFFAOYSA-N 0 0 416.793 4.422 20 5 HIBDRN O=C(Nc1n[nH]c2ccc(F)cc21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000476497391 891409736 /nfs/dbraw/zinc/40/97/36/891409736.db2.gz UHBSKYOTAWTVMO-UHFFFAOYSA-N 0 0 405.389 4.475 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1cc2cccc(F)c2o1 ZINC000476517318 891432013 /nfs/dbraw/zinc/43/20/13/891432013.db2.gz BPTCMLSLPOPXNE-NSHDSACASA-N 0 0 404.419 4.056 20 5 HIBDRN O=C(NC[C@H]1CC[C@@H](O)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000476551094 891467256 /nfs/dbraw/zinc/46/72/56/891467256.db2.gz RHGHSHISRPUIMK-GXTWGEPZSA-N 0 0 406.891 4.290 20 5 HIBDRN O=C(NC[C@H]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000476554570 891471337 /nfs/dbraw/zinc/47/13/37/891471337.db2.gz XTEQBJOPYMCDAP-SWLSCSKDSA-N 0 0 406.891 4.290 20 5 HIBDRN COc1c(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)cccc1[N+](=O)[O-] ZINC000476575065 891496917 /nfs/dbraw/zinc/49/69/17/891496917.db2.gz CJWHQXZBLNLDKK-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000476578207 891500523 /nfs/dbraw/zinc/50/05/23/891500523.db2.gz ICWUKZRUSOOZKW-GOSISDBHSA-N 0 0 403.504 4.023 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000476612111 891548135 /nfs/dbraw/zinc/54/81/35/891548135.db2.gz ZSNCYFBMXGWHJI-GOSISDBHSA-N 0 0 403.504 4.023 20 5 HIBDRN Cc1sc(S(=O)(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000476628535 891564261 /nfs/dbraw/zinc/56/42/61/891564261.db2.gz JFRQHMPZAVYISA-HNNXBMFYSA-N 0 0 409.533 4.084 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@](F)(c3ccccc3C)C2)c(C)c([N+](=O)[O-])c1 ZINC000504849471 913573331 /nfs/dbraw/zinc/57/33/31/913573331.db2.gz UVHHXJVEQOKLDW-OAQYLSRUSA-N 0 0 415.421 4.101 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N(CC1(c2ccc(Cl)c(Cl)c2)CCC1)C1CC1 ZINC000476653674 891596679 /nfs/dbraw/zinc/59/66/79/891596679.db2.gz DVQMRVBYHUJFCM-UHFFFAOYSA-N 0 0 423.300 4.362 20 5 HIBDRN COc1c(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000476661816 891608408 /nfs/dbraw/zinc/60/84/08/891608408.db2.gz OHNNREKLQSQEAD-CQSZACIVSA-N 0 0 420.290 4.238 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000476677049 891629045 /nfs/dbraw/zinc/62/90/45/891629045.db2.gz PIKGSPPIAKIXBG-UHFFFAOYSA-N 0 0 407.348 4.301 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc2sc(N3CCCC3)nc2s1 ZINC000476690721 891643738 /nfs/dbraw/zinc/64/37/38/891643738.db2.gz PKFIJCBMBOCWEK-UHFFFAOYSA-N 0 0 422.919 4.450 20 5 HIBDRN CSc1ccc(NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000476721614 891686461 /nfs/dbraw/zinc/68/64/61/891686461.db2.gz TYDSGONZHAXHNF-UHFFFAOYSA-N 0 0 421.906 4.048 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@H]1C ZINC000476777288 891755836 /nfs/dbraw/zinc/75/58/36/891755836.db2.gz LHXCAGXEVUAKEY-AUUYWEPGSA-N 0 0 414.483 4.017 20 5 HIBDRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000476787228 891768177 /nfs/dbraw/zinc/76/81/77/891768177.db2.gz JKRHIHULNPQNCO-CQSZACIVSA-N 0 0 421.291 4.459 20 5 HIBDRN O=C(NC[C@H]1CCCC1=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000476910025 891861528 /nfs/dbraw/zinc/86/15/28/891861528.db2.gz ANSDHFYUXZWEHN-GFCCVEGCSA-N 0 0 404.875 4.498 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CSCc1coc(-c2ccc(Br)cc2)n1 ZINC000477006329 891933407 /nfs/dbraw/zinc/93/34/07/891933407.db2.gz YWTVNJYMYOFZBC-UHFFFAOYSA-N 0 0 409.265 4.179 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000477024123 891950172 /nfs/dbraw/zinc/95/01/72/891950172.db2.gz JNSGGWBQRAYCAL-UHFFFAOYSA-N 0 0 404.401 4.136 20 5 HIBDRN CCOc1cc(CSc2nnc(C)n2-c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000477035871 891960484 /nfs/dbraw/zinc/96/04/84/891960484.db2.gz FSCUIBZDJNZMFV-UHFFFAOYSA-N 0 0 400.460 4.184 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000477048363 891977497 /nfs/dbraw/zinc/97/74/97/891977497.db2.gz KCNSGDMEALYRCL-UHFFFAOYSA-N 0 0 406.360 4.224 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477053522 891984569 /nfs/dbraw/zinc/98/45/69/891984569.db2.gz YPXIGHHUWTUQKX-VWNXMTODSA-N 0 0 423.513 4.476 20 5 HIBDRN CCOC(=O)c1sc2cccc(F)c2c1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477053586 891985788 /nfs/dbraw/zinc/98/57/88/891985788.db2.gz BKNLVRHXOSJHCY-UHFFFAOYSA-N 0 0 423.443 4.099 20 5 HIBDRN COc1ccc(-n2c(C)nnc2SCCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000477088299 892021183 /nfs/dbraw/zinc/02/11/83/892021183.db2.gz MKSBCTAMVYDFES-UHFFFAOYSA-N 0 0 400.460 4.054 20 5 HIBDRN C[C@@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000477129499 892058011 /nfs/dbraw/zinc/05/80/11/892058011.db2.gz SQYPGPOEEHOYNX-LLVKDONJSA-N 0 0 417.409 4.037 20 5 HIBDRN CCOCCOc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000477210153 892141391 /nfs/dbraw/zinc/14/13/91/892141391.db2.gz XLSYQAGTQDXCKB-ZDUSSCGKSA-N 0 0 407.854 4.103 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000477226407 892163810 /nfs/dbraw/zinc/16/38/10/892163810.db2.gz KNOYKYXBJZGZOM-SFHVURJKSA-N 0 0 407.239 4.306 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000477257566 892209922 /nfs/dbraw/zinc/20/99/22/892209922.db2.gz RLMTXONDJUULKN-QFIPXVFZSA-N 0 0 421.478 4.380 20 5 HIBDRN COc1ccccc1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000477284708 892240800 /nfs/dbraw/zinc/24/08/00/892240800.db2.gz HPNWHAWULKUPKT-KRWDZBQOSA-N 0 0 421.291 4.363 20 5 HIBDRN O=C(NCc1c(F)cccc1OC(F)F)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000477320976 892286455 /nfs/dbraw/zinc/28/64/55/892286455.db2.gz LABJZRRIRAYYJQ-UHFFFAOYSA-N 0 0 412.367 4.352 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000477334883 892303553 /nfs/dbraw/zinc/30/35/53/892303553.db2.gz WOVLLVNFVJTHJC-GASCZTMLSA-N 0 0 413.449 4.033 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)CC[C@@H](C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000477359214 892324840 /nfs/dbraw/zinc/32/48/40/892324840.db2.gz CMPMWPTUWGLUTP-GOSISDBHSA-N 0 0 411.502 4.226 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000477373364 892335591 /nfs/dbraw/zinc/33/55/91/892335591.db2.gz NKBXQMZGGJCICN-UHFFFAOYSA-N 0 0 407.213 4.190 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000477386661 892343968 /nfs/dbraw/zinc/34/39/68/892343968.db2.gz WHNCKRAWXBSWLM-UHFFFAOYSA-N 0 0 412.877 4.313 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000477398823 892354528 /nfs/dbraw/zinc/35/45/28/892354528.db2.gz PKYANZNCPYZZKU-UHFFFAOYSA-N 0 0 416.787 4.249 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000477424113 892376619 /nfs/dbraw/zinc/37/66/19/892376619.db2.gz KIFHQLBJOPJVHG-SECBINFHSA-N 0 0 421.276 4.300 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000477448020 892400826 /nfs/dbraw/zinc/40/08/26/892400826.db2.gz YXDBHWUAHHIYDD-UHFFFAOYSA-N 0 0 402.882 4.262 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000477468584 892442027 /nfs/dbraw/zinc/44/20/27/892442027.db2.gz RVDSLHZYGPJUPJ-UHFFFAOYSA-N 0 0 417.469 4.140 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000477473812 892453738 /nfs/dbraw/zinc/45/37/38/892453738.db2.gz UDAVKMZLIVPVKI-CYBMUJFWSA-N 0 0 406.845 4.405 20 5 HIBDRN CCOc1ccc([C@H](C)N[C@@H](c2nccn2C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000504929397 913667782 /nfs/dbraw/zinc/66/77/82/913667782.db2.gz IOCQKYQSLNRAEV-YCRPNKLZSA-N 0 0 410.474 4.176 20 5 HIBDRN COc1ccc(-c2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)sc2C)cc1 ZINC000477497255 892502251 /nfs/dbraw/zinc/50/22/51/892502251.db2.gz CUDBWEDGDBNVAM-UHFFFAOYSA-N 0 0 401.419 4.356 20 5 HIBDRN CC(C)Cn1ncc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1C(F)F ZINC000477512593 892526827 /nfs/dbraw/zinc/52/68/27/892526827.db2.gz SVVUBRWSPFMIDG-UHFFFAOYSA-N 0 0 415.828 4.403 20 5 HIBDRN COc1cc(C(=O)N(C)C2c3ccccc3-c3ccccc32)c([N+](=O)[O-])cc1OC ZINC000477519823 892538680 /nfs/dbraw/zinc/53/86/80/892538680.db2.gz KGNZQKHIKVKETM-UHFFFAOYSA-N 0 0 404.422 4.454 20 5 HIBDRN COc1ccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c(OC2CCCC2)c1 ZINC000477528578 892556508 /nfs/dbraw/zinc/55/65/08/892556508.db2.gz KZVOKKIAZZXPSD-UHFFFAOYSA-N 0 0 416.499 4.333 20 5 HIBDRN Cc1c(C(=O)Nc2cc(-c3cccnc3)ccc2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000477535522 892567363 /nfs/dbraw/zinc/56/73/63/892567363.db2.gz LXQNQEFJODGBFR-UHFFFAOYSA-N 0 0 414.425 4.107 20 5 HIBDRN CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1c2ccccc2-c2ccccc21 ZINC000477536001 892567523 /nfs/dbraw/zinc/56/75/23/892567523.db2.gz NCROCXODNGIGMC-UHFFFAOYSA-N 0 0 416.433 4.137 20 5 HIBDRN CCC(=O)[C@H]1CCCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000477621017 892723168 /nfs/dbraw/zinc/72/31/68/892723168.db2.gz XONSVYDANCBJBU-CQSZACIVSA-N 0 0 419.528 4.485 20 5 HIBDRN COCC[C@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccco1 ZINC000504961589 913700776 /nfs/dbraw/zinc/70/07/76/913700776.db2.gz GAVQVTOEHGDVIJ-BEFAXECRSA-N 0 0 424.457 4.264 20 5 HIBDRN Cc1cccc(CC2(O)CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)c1 ZINC000477696776 892814825 /nfs/dbraw/zinc/81/48/25/892814825.db2.gz SHGAKBUCIKDXPW-UHFFFAOYSA-N 0 0 410.514 4.411 20 5 HIBDRN COc1cc(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)cc([N+](=O)[O-])c1C ZINC000477781509 892863772 /nfs/dbraw/zinc/86/37/72/892863772.db2.gz UWKGHGQCJXLGKK-UHFFFAOYSA-N 0 0 422.228 4.052 20 5 HIBDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000477795890 892871877 /nfs/dbraw/zinc/87/18/77/892871877.db2.gz WCPQAYHDFHPLBJ-QMMMGPOBSA-N 0 0 418.169 4.262 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000477797347 892872543 /nfs/dbraw/zinc/87/25/43/892872543.db2.gz BRGYCMCZEPQJRL-UHFFFAOYSA-N 0 0 410.861 4.454 20 5 HIBDRN Cc1cn(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2)c(=O)[nH]1 ZINC000477813829 892883619 /nfs/dbraw/zinc/88/36/19/892883619.db2.gz FUKVVXSMIPOUGZ-UHFFFAOYSA-N 0 0 406.320 4.066 20 5 HIBDRN CCOC(=O)c1cc(CC)sc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000477816152 892885085 /nfs/dbraw/zinc/88/50/85/892885085.db2.gz ATNNZFKIHCAZSQ-UHFFFAOYSA-N 0 0 405.476 4.102 20 5 HIBDRN COc1cc(CN(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1SC ZINC000477847130 892908270 /nfs/dbraw/zinc/90/82/70/892908270.db2.gz QBUGDAWOWXPHPZ-LBPRGKRZSA-N 0 0 424.906 4.405 20 5 HIBDRN COc1cc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc(OC)c1Br ZINC000504975669 913716236 /nfs/dbraw/zinc/71/62/36/913716236.db2.gz VEUVNZQKKHFIDF-UHFFFAOYSA-N 0 0 406.192 4.092 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)NCC(C)(C)C2=CCCCC2)cc1[N+](=O)[O-] ZINC000477901801 892971836 /nfs/dbraw/zinc/97/18/36/892971836.db2.gz JDNJVSVDGVCETI-UHFFFAOYSA-N 0 0 415.519 4.131 20 5 HIBDRN O=C(NCc1nc(-c2cc3ccccc3o2)cs1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000477913906 892993798 /nfs/dbraw/zinc/99/37/98/892993798.db2.gz FSLMNNHKCQUHGG-UHFFFAOYSA-N 0 0 423.406 4.123 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)cc1[N+](=O)[O-] ZINC000477928470 893018384 /nfs/dbraw/zinc/01/83/84/893018384.db2.gz SUDGPZOFQXSPJX-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN O=C(Nc1cccc(OCc2cscn2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000504982705 913725097 /nfs/dbraw/zinc/72/50/97/913725097.db2.gz IWWOZAICLGAMQM-UHFFFAOYSA-N 0 0 421.438 4.068 20 5 HIBDRN COCc1ccc(CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000477957882 893048558 /nfs/dbraw/zinc/04/85/58/893048558.db2.gz KZRXLUBAHPFGFD-CALCHBBNSA-N 0 0 411.502 4.154 20 5 HIBDRN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000477971912 893065256 /nfs/dbraw/zinc/06/52/56/893065256.db2.gz CWBOVOJEBIBJHE-UHFFFAOYSA-N 0 0 401.220 4.308 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000478009066 893118598 /nfs/dbraw/zinc/11/85/98/893118598.db2.gz 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894770615 /nfs/dbraw/zinc/77/06/15/894770615.db2.gz GBJCDNNJIWGAAR-UHFFFAOYSA-N 0 0 411.867 4.096 20 5 HIBDRN O=C(CNc1cccc(Cl)c1Br)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000479465234 894787353 /nfs/dbraw/zinc/78/73/53/894787353.db2.gz KEPYGIKXDSODEG-UHFFFAOYSA-N 0 0 410.655 4.012 20 5 HIBDRN COc1cc(C(=O)N2CCCc3cc(Br)ccc32)cc([N+](=O)[O-])c1C ZINC000479629344 894897145 /nfs/dbraw/zinc/89/71/45/894897145.db2.gz PHEKKINPDZAXBU-UHFFFAOYSA-N 0 0 405.248 4.267 20 5 HIBDRN CCC(CC)[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CCO1 ZINC000479648704 894919961 /nfs/dbraw/zinc/91/99/61/894919961.db2.gz QKPRDWQPNNFQQL-MAUKXSAKSA-N 0 0 410.536 4.047 20 5 HIBDRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000479655446 894929468 /nfs/dbraw/zinc/92/94/68/894929468.db2.gz MFDCLJCXTXUEJI-SFHVURJKSA-N 0 0 418.375 4.074 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000479676607 894957449 /nfs/dbraw/zinc/95/74/49/894957449.db2.gz OXDUOGGRNFLIQV-JTQLQIEISA-N 0 0 421.379 4.010 20 5 HIBDRN COc1ccc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1[N+](=O)[O-] ZINC000505266513 913922965 /nfs/dbraw/zinc/92/29/65/913922965.db2.gz WASAMHBYIPPAPY-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN Cc1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)nn1CCCOc1ccc(F)cc1 ZINC000479766240 895066936 /nfs/dbraw/zinc/06/69/36/895066936.db2.gz KYXDFDLZJLNUNR-UHFFFAOYSA-N 0 0 413.409 4.352 20 5 HIBDRN Cc1ccc(I)cc1NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000479821400 895135831 /nfs/dbraw/zinc/13/58/31/895135831.db2.gz YKDUEMHWAOWCSB-UHFFFAOYSA-N 0 0 411.199 4.460 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479837574 895162498 /nfs/dbraw/zinc/16/24/98/895162498.db2.gz MBZPWZCUDOJOKT-CJNGLKHVSA-N 0 0 416.359 4.085 20 5 HIBDRN COc1cc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1C ZINC000479866995 895205436 /nfs/dbraw/zinc/20/54/36/895205436.db2.gz UIFWBYQEHBMRQZ-GOSISDBHSA-N 0 0 424.375 4.144 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Sc1nnc(-c2ccccc2Br)o1 ZINC000479870836 895212606 /nfs/dbraw/zinc/21/26/06/895212606.db2.gz BUBMPNBLDZQBHA-UHFFFAOYSA-N 0 0 410.253 4.083 20 5 HIBDRN CC(C)CCn1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000479907308 895254961 /nfs/dbraw/zinc/25/49/61/895254961.db2.gz BTVULZFBXJHZIH-LBPRGKRZSA-N 0 0 413.400 4.295 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccc(SC)cc1 ZINC000479976678 895329849 /nfs/dbraw/zinc/32/98/49/895329849.db2.gz GVZVCTRFHYEMBM-INIZCTEOSA-N 0 0 403.460 4.051 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000479978477 895332798 /nfs/dbraw/zinc/33/27/98/895332798.db2.gz GSQCQHSYYFDPOE-CQSZACIVSA-N 0 0 403.241 4.143 20 5 HIBDRN CCC(=O)c1ccc(NCC2CCN(Cc3nc(C)c(C)o3)CC2)c([N+](=O)[O-])c1 ZINC000480008802 895359880 /nfs/dbraw/zinc/35/98/80/895359880.db2.gz BGEHATMHLPRTAP-UHFFFAOYSA-N 0 0 400.479 4.116 20 5 HIBDRN COc1ccc(C=Cc2nc(=O)c3cc(Br)sc3[nH]2)cc1[N+](=O)[O-] ZINC000480042060 895391132 /nfs/dbraw/zinc/39/11/32/895391132.db2.gz XPBHTIPSAPAUOP-HWKANZROSA-N 0 0 408.233 4.247 20 5 HIBDRN Cc1c(CNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000480053329 895401681 /nfs/dbraw/zinc/40/16/81/895401681.db2.gz DYARNLIVYIEKGT-UHFFFAOYSA-N 0 0 404.426 4.477 20 5 HIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000480068274 895417611 /nfs/dbraw/zinc/41/76/11/895417611.db2.gz SUJNNDHWZUPRMT-UHFFFAOYSA-N 0 0 407.430 4.017 20 5 HIBDRN CC(C)NC(=O)c1ccc(N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000480067853 895417691 /nfs/dbraw/zinc/41/76/91/895417691.db2.gz CKMUTCHGAOEZDQ-VBKZILBWSA-N 0 0 417.893 4.353 20 5 HIBDRN Cc1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)ccc1Br ZINC000480094603 895459106 /nfs/dbraw/zinc/45/91/06/895459106.db2.gz GLERQKBBUZAAGH-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COc1cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000505307756 913969483 /nfs/dbraw/zinc/96/94/83/913969483.db2.gz ITRJMNJXKXDEFL-KRWDZBQOSA-N 0 0 408.414 4.021 20 5 HIBDRN COc1cc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)c([N+](=O)[O-])cc1OC ZINC000480108858 895478043 /nfs/dbraw/zinc/47/80/43/895478043.db2.gz ZZDROMIZCKRVDG-NSHDSACASA-N 0 0 419.503 4.472 20 5 HIBDRN COc1cc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000480118447 895491274 /nfs/dbraw/zinc/49/12/74/895491274.db2.gz VXECIRVTNXGRMH-BLVKFPJESA-N 0 0 404.850 4.167 20 5 HIBDRN O=C(CNc1cc(F)cc([N+](=O)[O-])c1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000480166580 895556327 /nfs/dbraw/zinc/55/63/27/895556327.db2.gz PGEZLKJSCGTRBJ-LJQANCHMSA-N 0 0 403.410 4.252 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCCOc2c(F)cccc21 ZINC000480183727 895578557 /nfs/dbraw/zinc/57/85/57/895578557.db2.gz XHTJLMOARBRYOM-FQEVSTJZSA-N 0 0 416.452 4.324 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cncc(Cl)c2Cl)c(C(F)(F)F)c1 ZINC000480237331 895646024 /nfs/dbraw/zinc/64/60/24/895646024.db2.gz ZBRNYNKNCIAHOB-UHFFFAOYSA-N 0 0 416.164 4.116 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)C[C@H]1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000480285921 895690401 /nfs/dbraw/zinc/69/04/01/895690401.db2.gz BVKTWTCRDRONHV-UWJYYQICSA-N 0 0 424.497 4.289 20 5 HIBDRN COc1cccc(C(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2cccc(OC)c2)c1 ZINC000480398857 895803524 /nfs/dbraw/zinc/80/35/24/895803524.db2.gz VXJNUUGTNYJFNP-UHFFFAOYSA-N 0 0 410.401 4.271 20 5 HIBDRN O=C(Nc1ncc(Cc2ccccc2F)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000480402492 895805710 /nfs/dbraw/zinc/80/57/10/895805710.db2.gz JCMNKMRFUFMLQZ-UHFFFAOYSA-N 0 0 423.429 4.219 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@H](c2ccccc2)c2cccnc2)c([N+](=O)[O-])c1 ZINC000480515665 895881081 /nfs/dbraw/zinc/88/10/81/895881081.db2.gz SBBXQNFRLWVXDK-OAQYLSRUSA-N 0 0 413.437 4.156 20 5 HIBDRN O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000480534624 895897937 /nfs/dbraw/zinc/89/79/37/895897937.db2.gz YYBMAFCDQLTIIQ-UHFFFAOYSA-N 0 0 418.438 4.178 20 5 HIBDRN COCCC[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000480546303 895907578 /nfs/dbraw/zinc/90/75/78/895907578.db2.gz BKGQQSJQKJEVBW-LJQANCHMSA-N 0 0 411.502 4.281 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000480587150 895949995 /nfs/dbraw/zinc/94/99/95/895949995.db2.gz VFGHTTUAJLVSNS-UHFFFAOYSA-N 0 0 414.531 4.137 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1 ZINC000480596651 895958946 /nfs/dbraw/zinc/95/89/46/895958946.db2.gz WSXQVAQLWWRPHV-UHFFFAOYSA-N 0 0 418.471 4.147 20 5 HIBDRN COCCCC[C@@H](NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccccc1 ZINC000480608772 895972889 /nfs/dbraw/zinc/97/28/89/895972889.db2.gz LHSPOAFBLATAST-GOSISDBHSA-N 0 0 406.504 4.048 20 5 HIBDRN COCCCC[C@H](NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000480618999 895986020 /nfs/dbraw/zinc/98/60/20/895986020.db2.gz WZHIJLYXEKUIBT-SFHVURJKSA-N 0 0 406.504 4.048 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(-n2nc(C)cc2C)cc1 ZINC000480639261 896008429 /nfs/dbraw/zinc/00/84/29/896008429.db2.gz AIBBYAYSIWRRHP-UHFFFAOYSA-N 0 0 424.526 4.482 20 5 HIBDRN Cc1cc(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)ccc1[N+](=O)[O-] ZINC000480681804 896045003 /nfs/dbraw/zinc/04/50/03/896045003.db2.gz IGOPQGMRVOEROS-LBPRGKRZSA-N 0 0 411.384 4.067 20 5 HIBDRN Cc1nc2ccccc2c2c(NC(=O)CS(=O)(=O)C(C)(C)C)c3ccccc3n21 ZINC000505368739 914031047 /nfs/dbraw/zinc/03/10/47/914031047.db2.gz OAOYUWCAVCFSSM-UHFFFAOYSA-N 0 0 409.511 4.101 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000480766357 896128612 /nfs/dbraw/zinc/12/86/12/896128612.db2.gz FCCQTAHPIULRRQ-UHFFFAOYSA-N 0 0 422.812 4.392 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000480770121 896133539 /nfs/dbraw/zinc/13/35/39/896133539.db2.gz KHGKAELNXPJUCW-UHFFFAOYSA-N 0 0 402.394 4.047 20 5 HIBDRN O=[N+]([O-])c1cnc(N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c(Cl)c1 ZINC000480789411 896155944 /nfs/dbraw/zinc/15/59/44/896155944.db2.gz WGQCMWYUJCHGKE-JLTOFOAXSA-N 0 0 411.849 4.251 20 5 HIBDRN CC(C)(C(=O)N1CCc2cc(Br)ccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000480825085 896198678 /nfs/dbraw/zinc/19/86/78/896198678.db2.gz FBEJCIUSOYDXSH-UHFFFAOYSA-N 0 0 421.266 4.359 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1 ZINC000480860156 896227155 /nfs/dbraw/zinc/22/71/55/896227155.db2.gz KTOFNWPTVKVIQU-NSHDSACASA-N 0 0 409.870 4.118 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000505384265 914047561 /nfs/dbraw/zinc/04/75/61/914047561.db2.gz KELWVAICOHETJP-UHFFFAOYSA-N 0 0 408.458 4.143 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)c1C ZINC000480925108 896280066 /nfs/dbraw/zinc/28/00/66/896280066.db2.gz HUKBYSGRVOXEQG-UHFFFAOYSA-N 0 0 415.446 4.141 20 5 HIBDRN Cc1nc(-c2ccc(S(=O)(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)s2)cs1 ZINC000480989940 896323530 /nfs/dbraw/zinc/32/35/30/896323530.db2.gz KHWNFBWKTAPXGM-UHFFFAOYSA-N 0 0 423.541 4.302 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000481021955 896350718 /nfs/dbraw/zinc/35/07/18/896350718.db2.gz GWOYBMIGCMLRSO-UHFFFAOYSA-N 0 0 402.394 4.051 20 5 HIBDRN O=[N+]([O-])c1c(N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)nc2sccn21 ZINC000481046422 896371534 /nfs/dbraw/zinc/37/15/34/896371534.db2.gz HIGHKOVWKHVFCM-JTQLQIEISA-N 0 0 406.773 4.122 20 5 HIBDRN C[C@H](NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000481060457 896383137 /nfs/dbraw/zinc/38/31/37/896383137.db2.gz PXRVQMZPNSJYTG-APPDUMDISA-N 0 0 412.273 4.386 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000505401116 914066297 /nfs/dbraw/zinc/06/62/97/914066297.db2.gz AUGIIXCJNKHOQO-HNNXBMFYSA-N 0 0 400.378 4.359 20 5 HIBDRN CNC(=O)c1cc(Oc2cc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)ccc2C)ccn1 ZINC000481181748 896523551 /nfs/dbraw/zinc/52/35/51/896523551.db2.gz WRDCLKOBXZEOSE-UHFFFAOYSA-N 0 0 420.425 4.011 20 5 HIBDRN O=C(N[C@H]1CCCc2c(O)cccc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000481193407 896545898 /nfs/dbraw/zinc/54/58/98/896545898.db2.gz STQOONUGPAEOTA-IBGZPJMESA-N 0 0 420.415 4.473 20 5 HIBDRN O=C(N[C@H]1CCCc2c(O)cccc21)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000481192789 896546006 /nfs/dbraw/zinc/54/60/06/896546006.db2.gz QWJKQLOZHIWHLX-IBGZPJMESA-N 0 0 402.425 4.333 20 5 HIBDRN CCN(C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C1CCCCC1 ZINC000481342730 896710093 /nfs/dbraw/zinc/71/00/93/896710093.db2.gz RRXVRVDGZZTJFJ-UHFFFAOYSA-N 0 0 417.535 4.147 20 5 HIBDRN CCn1c(SCc2ccn(-c3ccc(F)cc3)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481359160 896736149 /nfs/dbraw/zinc/73/61/49/896736149.db2.gz OMBUTQZHMKXLOR-UHFFFAOYSA-N 0 0 424.461 4.490 20 5 HIBDRN Cc1ccc(-n2c(SCc3c([N+](=O)[O-])ncn3C)nnc2-c2cccs2)cc1 ZINC000481390832 896794813 /nfs/dbraw/zinc/79/48/13/896794813.db2.gz DUTRBEMNZRGPOV-UHFFFAOYSA-N 0 0 412.500 4.238 20 5 HIBDRN Cn1c2ccccc2nc1[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000481422102 896824226 /nfs/dbraw/zinc/82/42/26/896824226.db2.gz RUYJELPXHNBRAA-QFIPXVFZSA-N 0 0 402.454 4.240 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000481499211 896873318 /nfs/dbraw/zinc/87/33/18/896873318.db2.gz SAWFEQHDZRSZBL-INIZCTEOSA-N 0 0 400.500 4.183 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000481516698 896883335 /nfs/dbraw/zinc/88/33/35/896883335.db2.gz FABKIUDSZQTMPJ-SFHVURJKSA-N 0 0 416.499 4.017 20 5 HIBDRN CN(Cc1nccn1C(F)F)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000481547578 896913148 /nfs/dbraw/zinc/91/31/48/896913148.db2.gz WACMKLIRJNCEBH-UHFFFAOYSA-N 0 0 415.400 4.071 20 5 HIBDRN CC(C)(C)NC(=O)c1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481668434 897052243 /nfs/dbraw/zinc/05/22/43/897052243.db2.gz IEGHJNUBPVQRBR-UHFFFAOYSA-N 0 0 418.881 4.141 20 5 HIBDRN COc1cc(CCNC(=O)Nc2ccc3oc(C)c(C)c3c2)c([N+](=O)[O-])cc1OC ZINC000481677283 897061250 /nfs/dbraw/zinc/06/12/50/897061250.db2.gz ZFSLHGXTNAFTKT-UHFFFAOYSA-N 0 0 413.430 4.339 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000481685617 897069892 /nfs/dbraw/zinc/06/98/92/897069892.db2.gz JMHPHAAMNVITGA-QGZVFWFLSA-N 0 0 405.241 4.155 20 5 HIBDRN COc1cccc(C(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c2cccc(OC)c2)c1 ZINC000481718787 897112166 /nfs/dbraw/zinc/11/21/66/897112166.db2.gz AXLIWQOLAPARMF-UHFFFAOYSA-N 0 0 406.438 4.440 20 5 HIBDRN CN(Cc1ccc(F)cc1Br)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000481720536 897114205 /nfs/dbraw/zinc/11/42/05/897114205.db2.gz TZTINYNTOKTQKG-UHFFFAOYSA-N 0 0 418.222 4.317 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1nc2ccccc2s1 ZINC000481742585 897136796 /nfs/dbraw/zinc/13/67/96/897136796.db2.gz SKFUUHHODLIDKI-UHFFFAOYSA-N 0 0 402.501 4.158 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 ZINC000481867880 897237540 /nfs/dbraw/zinc/23/75/40/897237540.db2.gz PPORKJXYEDNWKF-UHFFFAOYSA-N 0 0 407.361 4.060 20 5 HIBDRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000481873555 897246259 /nfs/dbraw/zinc/24/62/59/897246259.db2.gz WZAUKKLNRGHPDQ-LBPRGKRZSA-N 0 0 409.255 4.176 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 ZINC000481874899 897246957 /nfs/dbraw/zinc/24/69/57/897246957.db2.gz YRZKZCKBTSWDBF-UHFFFAOYSA-N 0 0 417.878 4.159 20 5 HIBDRN COC(=O)c1cc(OCc2csc(-c3ccc(OC)cc3)n2)ccc1[N+](=O)[O-] ZINC000481893614 897270788 /nfs/dbraw/zinc/27/07/88/897270788.db2.gz DHQQBWYPWIWHKB-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)NC2CC2)cc1 ZINC000481897361 897275320 /nfs/dbraw/zinc/27/53/20/897275320.db2.gz CIYBJKJYDGWVAR-UHFFFAOYSA-N 0 0 400.460 4.243 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000481928539 897312720 /nfs/dbraw/zinc/31/27/20/897312720.db2.gz CEBUEMYSELYYJV-UHFFFAOYSA-N 0 0 401.488 4.441 20 5 HIBDRN COC(=O)c1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)ccc1[N+](=O)[O-] ZINC000481946374 897334951 /nfs/dbraw/zinc/33/49/51/897334951.db2.gz WJNHKAVRLINXTC-UHFFFAOYSA-N 0 0 423.303 4.029 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCSCc2ccc(C)cc2)cc1SC ZINC000481948331 897336566 /nfs/dbraw/zinc/33/65/66/897336566.db2.gz VPXCJHUNVIKWAH-UHFFFAOYSA-N 0 0 406.529 4.297 20 5 HIBDRN NC(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 ZINC000481954844 897343713 /nfs/dbraw/zinc/34/37/13/897343713.db2.gz ZABBZUMZNVBWKB-UHFFFAOYSA-N 0 0 422.466 4.167 20 5 HIBDRN COCc1ccccc1CNC(=O)COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000481959066 897348397 /nfs/dbraw/zinc/34/83/97/897348397.db2.gz QPDFJWDMMSFBGK-UHFFFAOYSA-N 0 0 420.465 4.027 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000481963461 897353681 /nfs/dbraw/zinc/35/36/81/897353681.db2.gz BQCRZAARCYCOIL-UHFFFAOYSA-N 0 0 416.484 4.104 20 5 HIBDRN COc1ccc(-c2nnc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)s2)cc1 ZINC000481968446 897359130 /nfs/dbraw/zinc/35/91/30/897359130.db2.gz MGJFXLUKRSDUMG-UHFFFAOYSA-N 0 0 419.850 4.097 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000481969890 897361732 /nfs/dbraw/zinc/36/17/32/897361732.db2.gz XXQLCSOVNMTFKZ-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1SC ZINC000481973767 897366391 /nfs/dbraw/zinc/36/63/91/897366391.db2.gz LGGJGUAQVDXDMW-ZDUSSCGKSA-N 0 0 408.476 4.431 20 5 HIBDRN COc1ccc(OC)c(NC(=O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000481974858 897367578 /nfs/dbraw/zinc/36/75/78/897367578.db2.gz TWQGAEIGUWEDHV-UHFFFAOYSA-N 0 0 422.437 4.220 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1SC ZINC000481990900 897386832 /nfs/dbraw/zinc/38/68/32/897386832.db2.gz KGKUZYWFPSKMNM-UHFFFAOYSA-N 0 0 400.378 4.274 20 5 HIBDRN CC1(C)CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000482036135 897450746 /nfs/dbraw/zinc/45/07/46/897450746.db2.gz BJPVOSKCXWDOPF-AWEZNQCLSA-N 0 0 408.804 4.454 20 5 HIBDRN COc1cccc2sc(NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])nc21 ZINC000482038523 897454056 /nfs/dbraw/zinc/45/40/56/897454056.db2.gz KATGYQFKHZBMLW-UHFFFAOYSA-N 0 0 405.457 4.196 20 5 HIBDRN CCc1ccc([C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CCO2)cc1 ZINC000482048884 897472837 /nfs/dbraw/zinc/47/28/37/897472837.db2.gz QTMAVVAVBCGKPE-FQEVSTJZSA-N 0 0 423.494 4.494 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCC3)cc2C)cc1SC ZINC000482068278 897503075 /nfs/dbraw/zinc/50/30/75/897503075.db2.gz OSTMIHQQKYUSBO-UHFFFAOYSA-N 0 0 401.488 4.486 20 5 HIBDRN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000482071403 897507967 /nfs/dbraw/zinc/50/79/67/897507967.db2.gz HCRIPWOTQAXNNW-UHFFFAOYSA-N 0 0 417.487 4.486 20 5 HIBDRN COc1ccc(-n2ccnc2SCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000482103128 897551004 /nfs/dbraw/zinc/55/10/04/897551004.db2.gz KDKFHYQZIZMMGJ-UHFFFAOYSA-N 0 0 412.471 4.137 20 5 HIBDRN O=C(Nc1ccc(Br)c(Cl)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000482134630 897592561 /nfs/dbraw/zinc/59/25/61/897592561.db2.gz PSANUNUJSSXEDD-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000482137298 897595829 /nfs/dbraw/zinc/59/58/29/897595829.db2.gz 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CCC[C@H](C)C(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000482425949 897979283 /nfs/dbraw/zinc/97/92/83/897979283.db2.gz YVIHRWJSAOEFGZ-HNNXBMFYSA-N 0 0 415.515 4.028 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000482432771 897990806 /nfs/dbraw/zinc/99/08/06/897990806.db2.gz KSSONHMASOHNIO-HNNXBMFYSA-N 0 0 403.307 4.018 20 5 HIBDRN COC(=O)c1ccc(Cl)c(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000482443265 898005408 /nfs/dbraw/zinc/00/54/08/898005408.db2.gz YHDUQSVKEJRKED-UHFFFAOYSA-N 0 0 402.756 4.343 20 5 HIBDRN O=C(NCc1ccccc1N1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000482451541 898017723 /nfs/dbraw/zinc/01/77/23/898017723.db2.gz WNUMCTBBORRWPT-UHFFFAOYSA-N 0 0 418.291 4.278 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@]2(C1)OCc1ccccc12 ZINC000482478497 898055913 /nfs/dbraw/zinc/05/59/13/898055913.db2.gz KRLWSBZQNDYQNY-LJQANCHMSA-N 0 0 406.360 4.275 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000482479167 898056357 /nfs/dbraw/zinc/05/63/57/898056357.db2.gz MKLYLSWXMSWVMJ-MHZLTWQESA-N 0 0 424.500 4.203 20 5 HIBDRN COc1ccc(-c2ccc(CNc3cccc(-c4ncn(C)n4)c3)o2)c([N+](=O)[O-])c1 ZINC000482505223 898086218 /nfs/dbraw/zinc/08/62/18/898086218.db2.gz GGTSCZRFZLCPGH-UHFFFAOYSA-N 0 0 405.414 4.271 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2OC(F)F)cc1SC ZINC000482564912 898158168 /nfs/dbraw/zinc/15/81/68/898158168.db2.gz UCXKNAYGDHNYSP-SNVBAGLBSA-N 0 0 412.414 4.418 20 5 HIBDRN C[C@H](C(=O)OC(C)(C)C)c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000482575196 898170431 /nfs/dbraw/zinc/17/04/31/898170431.db2.gz JOOBBBBHKGNHDX-JTQLQIEISA-N 0 0 402.432 4.214 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cc1SC ZINC000482600242 898202271 /nfs/dbraw/zinc/20/22/71/898202271.db2.gz BVUHJXJKPRFODA-JTQLQIEISA-N 0 0 412.414 4.418 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NCc3ccc(OC(F)F)cc3)cc2[N+](=O)[O-])CC1 ZINC000482631893 898235992 /nfs/dbraw/zinc/23/59/92/898235992.db2.gz 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CCc1c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cnn1-c1cccc(C)c1 ZINC000482742258 898346012 /nfs/dbraw/zinc/34/60/12/898346012.db2.gz MTJSWALBONSYTM-UHFFFAOYSA-N 0 0 403.442 4.314 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2cc(Br)cs2)cc1SC ZINC000482756606 898363544 /nfs/dbraw/zinc/36/35/44/898363544.db2.gz WVFKPRKOGNLYCJ-UHFFFAOYSA-N 0 0 417.306 4.079 20 5 HIBDRN CN(Cc1ccc(F)cc1Br)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000482762576 898369648 /nfs/dbraw/zinc/36/96/48/898369648.db2.gz UONSSIIRWOASSE-UHFFFAOYSA-N 0 0 413.268 4.247 20 5 HIBDRN CC[C@@H](C)n1ncc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1C ZINC000482794753 898402442 /nfs/dbraw/zinc/40/24/42/898402442.db2.gz SWUNKNVJXBQGHB-CYBMUJFWSA-N 0 0 410.478 4.185 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1 ZINC000482836289 898445180 /nfs/dbraw/zinc/44/51/80/898445180.db2.gz OBWGBLDOTXYSOE-UHFFFAOYSA-N 0 0 419.466 4.295 20 5 HIBDRN CN(CCOc1ccccc1C(C)(C)C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482846002 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CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000485322898 900603816 /nfs/dbraw/zinc/60/38/16/900603816.db2.gz TYDNTVWHBGYWMQ-UHFFFAOYSA-N 0 0 414.437 4.303 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000485364101 900660445 /nfs/dbraw/zinc/66/04/45/900660445.db2.gz SKRRYNOMOBGJJY-UHFFFAOYSA-N 0 0 403.485 4.485 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000485376113 900672287 /nfs/dbraw/zinc/67/22/87/900672287.db2.gz GJFQOZQJOQFBDV-KRWDZBQOSA-N 0 0 412.364 4.378 20 5 HIBDRN Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000485398735 900696299 /nfs/dbraw/zinc/69/62/99/900696299.db2.gz MAXUGMNPTSELMI-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1cccc(C)c1NC(=O)CN(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485398372 900696330 /nfs/dbraw/zinc/69/63/30/900696330.db2.gz KEDLOOYUZQDPDU-UHFFFAOYSA-N 0 0 408.433 4.488 20 5 HIBDRN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485407367 900706651 /nfs/dbraw/zinc/70/66/51/900706651.db2.gz GRKNYLMGCSSXCQ-KKSFZXQISA-N 0 0 411.437 4.088 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCn3c(nnc3C3CCCC3)C2)nc1-c1ccc(F)cc1 ZINC000485413508 900712285 /nfs/dbraw/zinc/71/22/85/900712285.db2.gz YRRSUOLOVWEXHS-UHFFFAOYSA-N 0 0 408.437 4.065 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(n3cc(Cl)cn3)CC2)nc1-c1ccc(F)cc1 ZINC000485414567 900712931 /nfs/dbraw/zinc/71/29/31/900712931.db2.gz XKKMVDZXQNRYBQ-UHFFFAOYSA-N 0 0 401.829 4.487 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2nc(COc3ccccc3)n[nH]2)nc1-c1ccc(F)cc1 ZINC000485416560 900714534 /nfs/dbraw/zinc/71/45/34/900714534.db2.gz KVKMDWBATBOCDA-UHFFFAOYSA-N 0 0 420.404 4.105 20 5 HIBDRN CNC(=O)c1ccc(N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c([N+](=O)[O-])c1 ZINC000485423999 900721576 /nfs/dbraw/zinc/72/15/76/900721576.db2.gz PYQNEHVWUJYSBT-JOCQHMNTSA-N 0 0 422.254 4.214 20 5 HIBDRN CCOc1ccc(C(=O)N(C)CCc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000485447140 900741567 /nfs/dbraw/zinc/74/15/67/900741567.db2.gz XVJKVSGOBCPNEK-UHFFFAOYSA-N 0 0 407.264 4.071 20 5 HIBDRN Cc1c2ccc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)cc2nn1C ZINC000485454375 900748725 /nfs/dbraw/zinc/74/87/25/900748725.db2.gz XFWBCWCXKNWUDQ-UHFFFAOYSA-N 0 0 403.236 4.113 20 5 HIBDRN CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000485466191 900760448 /nfs/dbraw/zinc/76/04/48/900760448.db2.gz NEAMBDAMIZWSRS-CYBMUJFWSA-N 0 0 424.320 4.160 20 5 HIBDRN O=C(NC1(c2nccs2)CCCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000485469087 900763279 /nfs/dbraw/zinc/76/32/79/900763279.db2.gz SKSROGKWBFXXKT-UHFFFAOYSA-N 0 0 402.295 4.075 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1C(=O)N1CCCC1 ZINC000485474600 900768430 /nfs/dbraw/zinc/76/84/30/900768430.db2.gz AMXNSDBVHJCKFW-UHFFFAOYSA-N 0 0 419.890 4.215 20 5 HIBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Oc1ccccc1Cl ZINC000485490886 900781510 /nfs/dbraw/zinc/78/15/10/900781510.db2.gz BABHCFAGGKOKRE-SNVBAGLBSA-N 0 0 400.765 4.047 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)NCc2nnc(CCc3ccccc3)o2)cc1[N+](=O)[O-] ZINC000485498704 900788240 /nfs/dbraw/zinc/78/82/40/900788240.db2.gz NPWFWNIAZNGKID-UHFFFAOYSA-N 0 0 423.473 4.382 20 5 HIBDRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000485505725 900793417 /nfs/dbraw/zinc/79/34/17/900793417.db2.gz OYSWDTJKTFDESW-UHFFFAOYSA-N 0 0 410.879 4.214 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1cccc(F)c1F ZINC000485506826 900794906 /nfs/dbraw/zinc/79/49/06/900794906.db2.gz ULHABLKEAKFYAF-UHFFFAOYSA-N 0 0 417.334 4.053 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C12CCCCC2 ZINC000485535573 900813703 /nfs/dbraw/zinc/81/37/03/900813703.db2.gz BGWSHQBKHIKXGU-RBUKOAKNSA-N 0 0 422.547 4.191 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCO[C@H](COCC3CC3)C2)cc1[N+](=O)[O-] ZINC000485552557 900827236 /nfs/dbraw/zinc/82/72/36/900827236.db2.gz ZESNNLAJPLWHPT-SFHVURJKSA-N 0 0 422.547 4.001 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](c1ccccc1)c1cccnc1 ZINC000485566937 900836801 /nfs/dbraw/zinc/83/68/01/900836801.db2.gz JOIKOFOLBQPXGB-SANMLTNESA-N 0 0 419.484 4.456 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)cc1SC ZINC000485586962 900851194 /nfs/dbraw/zinc/85/11/94/900851194.db2.gz FSXVTBDVIMIVKY-CYBMUJFWSA-N 0 0 414.405 4.401 20 5 HIBDRN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000485602808 900863581 /nfs/dbraw/zinc/86/35/81/900863581.db2.gz VTFOZELEWUCFEO-ZDUSSCGKSA-N 0 0 417.181 4.433 20 5 HIBDRN Cc1c(C(=O)N(C)[C@@H](c2ccccc2C)C(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000485632332 900886431 /nfs/dbraw/zinc/88/64/31/900886431.db2.gz RFSMQIWSNLPRKE-OAQYLSRUSA-N 0 0 407.474 4.262 20 5 HIBDRN Cc1c(C(=O)N(C)[C@H](c2ccccc2C)C(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000485632331 900886593 /nfs/dbraw/zinc/88/65/93/900886593.db2.gz RFSMQIWSNLPRKE-NRFANRHFSA-N 0 0 407.474 4.262 20 5 HIBDRN CCCOc1nc(C)ccc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000485642634 900893884 /nfs/dbraw/zinc/89/38/84/900893884.db2.gz JWOZJACGBCILSS-UHFFFAOYSA-N 0 0 412.471 4.487 20 5 HIBDRN Cc1cc(Br)cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000485669834 900919885 /nfs/dbraw/zinc/91/98/85/900919885.db2.gz LNELGYADWCLYTR-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN CC1(C)[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000485678548 900931292 /nfs/dbraw/zinc/93/12/92/900931292.db2.gz LAUQVWNIXRLRDB-DUXKGJEZSA-N 0 0 410.470 4.107 20 5 HIBDRN CCc1cnc(CN(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])s1 ZINC000485719591 900968772 /nfs/dbraw/zinc/96/87/72/900968772.db2.gz OJDMIAZYVORHAY-UHFFFAOYSA-N 0 0 411.483 4.465 20 5 HIBDRN O=C([C@@H]1[C@@H](c2ccccc2)C1(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000485728149 900980082 /nfs/dbraw/zinc/98/00/82/900980082.db2.gz ATVFWGQIUWLKHN-MOPGFXCFSA-N 0 0 402.397 4.014 20 5 HIBDRN COc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(F)c1 ZINC000485731933 900983878 /nfs/dbraw/zinc/98/38/78/900983878.db2.gz OMWDZWFSPJKUNQ-UHFFFAOYSA-N 0 0 410.401 4.252 20 5 HIBDRN Cc1nc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(Br)s1 ZINC000485740059 900995102 /nfs/dbraw/zinc/99/51/02/900995102.db2.gz DFUDKFSCBIUCOF-UHFFFAOYSA-N 0 0 410.171 4.393 20 5 HIBDRN CCOc1cc2c(cc1OCC)CN(C(=O)c1cccc(SC)c1[N+](=O)[O-])CC2 ZINC000485751686 901007044 /nfs/dbraw/zinc/00/70/44/901007044.db2.gz FMQJYHZVMMWJSK-UHFFFAOYSA-N 0 0 416.499 4.313 20 5 HIBDRN CSc1cccc(C(=O)NCCc2ccc(Br)s2)c1[N+](=O)[O-] ZINC000485751189 901007211 /nfs/dbraw/zinc/00/72/11/901007211.db2.gz IKYRWCGDMXQOIF-UHFFFAOYSA-N 0 0 401.307 4.113 20 5 HIBDRN COc1ccc(OC)c(CN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C2CC2)c1 ZINC000485753483 901010035 /nfs/dbraw/zinc/01/00/35/901010035.db2.gz VBWYAJLHSVUFGL-UHFFFAOYSA-N 0 0 402.472 4.139 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)c2cccnc2)cc1SC ZINC000485793684 901045484 /nfs/dbraw/zinc/04/54/84/901045484.db2.gz YPEGGWQVEPAFAH-HXUWFJFHSA-N 0 0 409.467 4.240 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1SC ZINC000485793682 901045941 /nfs/dbraw/zinc/04/59/41/901045941.db2.gz YPEGGWQVEPAFAH-FQEVSTJZSA-N 0 0 409.467 4.240 20 5 HIBDRN CC[C@H](C(=O)N1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2F)CC1)c1ccccc1 ZINC000485829474 901076059 /nfs/dbraw/zinc/07/60/59/901076059.db2.gz CUNYGTMVCGHFJW-KRWDZBQOSA-N 0 0 415.465 4.339 20 5 HIBDRN CCCN1CCN(C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])c2ccc(F)cc21 ZINC000485860661 901101917 /nfs/dbraw/zinc/10/19/17/901101917.db2.gz GVVAATLVFKMCQJ-UHFFFAOYSA-N 0 0 417.437 4.018 20 5 HIBDRN C[C@@H]1CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])c2cc(Cl)ccc2O1 ZINC000485878363 901114383 /nfs/dbraw/zinc/11/43/83/901114383.db2.gz AYVJTFADLULLHF-SSDOTTSWSA-N 0 0 417.668 4.500 20 5 HIBDRN C[C@H]1CN(C)c2ccccc2N(C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000485881716 901117824 /nfs/dbraw/zinc/11/78/24/901117824.db2.gz GRQUGEMVHRKEQL-JTQLQIEISA-N 0 0 410.293 4.152 20 5 HIBDRN CC[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1nc(-c2ccccc2)c[nH]1 ZINC000485912247 901138910 /nfs/dbraw/zinc/13/89/10/901138910.db2.gz FGTRFSBUGSSKFY-KRWDZBQOSA-N 0 0 400.385 4.073 20 5 HIBDRN O=C(NCCOc1ccccc1F)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485937430 901159264 /nfs/dbraw/zinc/15/92/64/901159264.db2.gz CLPFNRDQPVPGLT-UHFFFAOYSA-N 0 0 410.401 4.122 20 5 HIBDRN COC(=O)c1cc(NC(=O)CCCOc2ccccc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000485939832 901160737 /nfs/dbraw/zinc/16/07/37/901160737.db2.gz IVSWCLOIVAMJAK-UHFFFAOYSA-N 0 0 406.822 4.141 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000485945377 901166395 /nfs/dbraw/zinc/16/63/95/901166395.db2.gz OWIHYOJSJFWIFP-UHFFFAOYSA-N 0 0 413.499 4.361 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(-c3cccs3)nc2C)c(C)c([N+](=O)[O-])c1 ZINC000485956919 901174254 /nfs/dbraw/zinc/17/42/54/901174254.db2.gz QJYZEMDKLIUAKZ-UHFFFAOYSA-N 0 0 411.439 4.374 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000485961089 901178848 /nfs/dbraw/zinc/17/88/48/901178848.db2.gz XBIWWMUNPKEHAW-UONOGXRCSA-N 0 0 422.359 4.451 20 5 HIBDRN Cc1ccc(-c2nnc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)s2)c(C)c1 ZINC000485966591 901182589 /nfs/dbraw/zinc/18/25/89/901182589.db2.gz LNKQHPXLYFSCKL-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN COc1cc(N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c(F)cc1[N+](=O)[O-] ZINC000485969438 901186233 /nfs/dbraw/zinc/18/62/33/901186233.db2.gz VYNISGFLEGVQPA-CQSZACIVSA-N 0 0 416.453 4.172 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)c(C)c([N+](=O)[O-])c1 ZINC000485973882 901191407 /nfs/dbraw/zinc/19/14/07/901191407.db2.gz CYYBGYWCOKVCLS-UHFFFAOYSA-N 0 0 415.427 4.275 20 5 HIBDRN CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000485974944 901191531 /nfs/dbraw/zinc/19/15/31/901191531.db2.gz OFUNLMGFUOLURC-ZDUSSCGKSA-N 0 0 400.431 4.221 20 5 HIBDRN COC(=O)c1cc(NC(=O)CCc2nc(C)c(-c3ccccc3)o2)c(C)c([N+](=O)[O-])c1 ZINC000485980376 901198722 /nfs/dbraw/zinc/19/87/22/901198722.db2.gz MVGWVPDEXPNCPF-UHFFFAOYSA-N 0 0 423.425 4.225 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cccc(-c3nc(C)cs3)c2)c(C)c([N+](=O)[O-])c1 ZINC000485981160 901200143 /nfs/dbraw/zinc/20/01/43/901200143.db2.gz NWIOMFJEVGPEPR-UHFFFAOYSA-N 0 0 411.439 4.374 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2sc3ccc(OC)cc3c2C)c(C)c([N+](=O)[O-])c1 ZINC000485983808 901204013 /nfs/dbraw/zinc/20/40/13/901204013.db2.gz SBEDEIYTGXKCKA-UHFFFAOYSA-N 0 0 414.439 4.474 20 5 HIBDRN CCc1cc(=O)[nH]c(-c2ccc(NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)nc2)n1 ZINC000486017966 901226133 /nfs/dbraw/zinc/22/61/33/901226133.db2.gz OKAATRPMDYHJEV-UHFFFAOYSA-N 0 0 419.363 4.346 20 5 HIBDRN O=C([C@@H]1COc2ccc(Br)cc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486019921 901226820 /nfs/dbraw/zinc/22/68/20/901226820.db2.gz WNRWDOOASHMKBI-QGZVFWFLSA-N 0 0 417.259 4.025 20 5 HIBDRN Cn1c(=O)ccc2ccc(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])cc21 ZINC000486020380 901226859 /nfs/dbraw/zinc/22/68/59/901226859.db2.gz RKNFIAGPUXKSRM-UHFFFAOYSA-N 0 0 414.290 4.239 20 5 HIBDRN COC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000486037701 901240508 /nfs/dbraw/zinc/24/05/08/901240508.db2.gz NFISTKYSOCUBTD-SFHVURJKSA-N 0 0 403.866 4.284 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000486067365 901260503 /nfs/dbraw/zinc/26/05/03/901260503.db2.gz GSDKDUOWTOGLNU-UHFFFAOYSA-N 0 0 418.515 4.231 20 5 HIBDRN O=C(CCc1ccccc1Br)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486071065 901263615 /nfs/dbraw/zinc/26/36/15/901263615.db2.gz QKMBVGCDKLOOOQ-UHFFFAOYSA-N 0 0 403.276 4.481 20 5 HIBDRN Cc1cc(C)n(Cc2cccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2)n1 ZINC000486071811 901265462 /nfs/dbraw/zinc/26/54/62/901265462.db2.gz URNLVMXZNGTSFD-UHFFFAOYSA-N 0 0 404.470 4.261 20 5 HIBDRN CN(Cc1cc(Cl)ccc1F)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486088168 901277201 /nfs/dbraw/zinc/27/72/01/901277201.db2.gz MFYZBEKWTMVQSQ-UHFFFAOYSA-N 0 0 407.648 4.484 20 5 HIBDRN Cc1noc2ncc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc12 ZINC000505876213 914522200 /nfs/dbraw/zinc/52/22/00/914522200.db2.gz CFRPNKINJWYMCJ-UHFFFAOYSA-N 0 0 412.349 4.189 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2ccccc2Br)o1 ZINC000486101475 901288647 /nfs/dbraw/zinc/28/86/47/901288647.db2.gz JQNYHYBVHTWKSU-UHFFFAOYSA-N 0 0 419.235 4.418 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000486104563 901292078 /nfs/dbraw/zinc/29/20/78/901292078.db2.gz WRTQDGKTSOJUDU-RBUKOAKNSA-N 0 0 410.470 4.063 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1c(F)ccc(Br)c1F ZINC000486133758 901320909 /nfs/dbraw/zinc/32/09/09/901320909.db2.gz ZYCXKCYBFUQZMO-UHFFFAOYSA-N 0 0 408.158 4.436 20 5 HIBDRN O=C(c1ccc(I)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486134390 901322562 /nfs/dbraw/zinc/32/25/62/901322562.db2.gz MMADWYQWKUFWMI-UHFFFAOYSA-N 0 0 422.222 4.004 20 5 HIBDRN CCOc1cc(N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)ccc1[N+](=O)[O-] ZINC000486158978 901346653 /nfs/dbraw/zinc/34/66/53/901346653.db2.gz RPFQJYATWPHGJG-HNNXBMFYSA-N 0 0 421.519 4.197 20 5 HIBDRN CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)nn1 ZINC000486180891 901366699 /nfs/dbraw/zinc/36/66/99/901366699.db2.gz UCLNYGWBLZHJPG-UHFFFAOYSA-N 0 0 419.260 4.152 20 5 HIBDRN COC[C@@H](Cc1ccccc1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486182814 901368281 /nfs/dbraw/zinc/36/82/81/901368281.db2.gz DMDPXITVBPLBGK-HXUWFJFHSA-N 0 0 420.465 4.161 20 5 HIBDRN O=C(Nc1ccc(-c2ccccc2)nn1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486186390 901372253 /nfs/dbraw/zinc/37/22/53/901372253.db2.gz MKDAFQAZAJRGIN-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1(CC)CC ZINC000486194063 901379340 /nfs/dbraw/zinc/37/93/40/901379340.db2.gz VTRWGAZWWZWYLF-GHMZBOCLSA-N 0 0 405.314 4.132 20 5 HIBDRN COc1ccc([C@H](NCc2c([N+](=O)[O-])ncn2C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000486200818 901384546 /nfs/dbraw/zinc/38/45/46/901384546.db2.gz SOTKRBXHURNETD-GOSISDBHSA-N 0 0 420.391 4.235 20 5 HIBDRN CSc1cccc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000486203325 901388156 /nfs/dbraw/zinc/38/81/56/901388156.db2.gz GBWCRJSCYDUIPI-AWEZNQCLSA-N 0 0 402.447 4.191 20 5 HIBDRN CSc1cccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000486221304 901403848 /nfs/dbraw/zinc/40/38/48/901403848.db2.gz GSNVVYYBQBMVMI-UHFFFAOYSA-N 0 0 402.316 4.274 20 5 HIBDRN C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000486221913 901405549 /nfs/dbraw/zinc/40/55/49/901405549.db2.gz YCCUWHITNFYOTO-OCCSQVGLSA-N 0 0 406.845 4.026 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccccc2OCC(F)(F)F)c1[N+](=O)[O-] ZINC000486230984 901413228 /nfs/dbraw/zinc/41/32/28/901413228.db2.gz JVTMDHMGFZHRDC-UHFFFAOYSA-N 0 0 400.378 4.188 20 5 HIBDRN CSc1cccc(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000486241301 901423665 /nfs/dbraw/zinc/42/36/65/901423665.db2.gz KBOLIHFZTFYKMH-CYBMUJFWSA-N 0 0 406.435 4.266 20 5 HIBDRN CSc1cccc(C(=O)Nc2c(C)cnn2Cc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000486241604 901423685 /nfs/dbraw/zinc/42/36/85/901423685.db2.gz FTBAPHJNXWILKX-UHFFFAOYSA-N 0 0 418.425 4.400 20 5 HIBDRN Cc1ccc(C)c(N2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000486256674 901440708 /nfs/dbraw/zinc/44/07/08/901440708.db2.gz XURAULSESZBTQG-KRWDZBQOSA-N 0 0 407.474 4.145 20 5 HIBDRN CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486333865 901510513 /nfs/dbraw/zinc/51/05/13/901510513.db2.gz KDBRSOLOGHOCFY-VIFPVBQESA-N 0 0 421.313 4.001 20 5 HIBDRN C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000486425103 901584010 /nfs/dbraw/zinc/58/40/10/901584010.db2.gz POYRWZZAABJIGI-KKSFZXQISA-N 0 0 418.449 4.468 20 5 HIBDRN O=C(N[C@@H](c1cccnc1)C1CC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486426179 901585624 /nfs/dbraw/zinc/58/56/24/901585624.db2.gz OXJBSNFYFKQUBS-JOCHJYFZSA-N 0 0 403.438 4.450 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000486446567 901605021 /nfs/dbraw/zinc/60/50/21/901605021.db2.gz OBMHAGYOPDXDFO-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486450819 901610641 /nfs/dbraw/zinc/61/06/41/901610641.db2.gz MHQGNWRKDWJLPU-VLCRHTCISA-N 0 0 422.481 4.251 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(NCc3ccc(COCC(F)(F)F)cc3)n2)cc1 ZINC000486453318 901613272 /nfs/dbraw/zinc/61/32/72/901613272.db2.gz DTOLAIYSBDNYCD-UHFFFAOYSA-N 0 0 408.336 4.336 20 5 HIBDRN CSc1cccc(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000486483241 901641229 /nfs/dbraw/zinc/64/12/29/901641229.db2.gz BWBZJMYSBHVQGG-UHFFFAOYSA-N 0 0 407.879 4.119 20 5 HIBDRN CSc1cccc(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)c1[N+](=O)[O-] ZINC000486490049 901644544 /nfs/dbraw/zinc/64/45/44/901644544.db2.gz RQWKGVYVAJEMCS-UHFFFAOYSA-N 0 0 407.879 4.037 20 5 HIBDRN COCCN(Cc1scnc1C)c1cc(C)c([N+](=O)[O-])cc1Br ZINC000486499336 901650487 /nfs/dbraw/zinc/65/04/87/901650487.db2.gz LKPKVKKQCNGBPT-UHFFFAOYSA-N 0 0 400.298 4.084 20 5 HIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000505915385 914559458 /nfs/dbraw/zinc/55/94/58/914559458.db2.gz MVMFGCSLBBAPIR-OAQYLSRUSA-N 0 0 408.433 4.235 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn32)cc1[N+](=O)[O-] ZINC000486653313 901775780 /nfs/dbraw/zinc/77/57/80/901775780.db2.gz PKNYMVJPQSTZSA-UHFFFAOYSA-N 0 0 404.430 4.019 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000486659176 901780439 /nfs/dbraw/zinc/78/04/39/901780439.db2.gz RONCJVQFRQPCGT-UHFFFAOYSA-N 0 0 400.385 4.110 20 5 HIBDRN O=C(Cc1ccccc1OC(F)F)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486681728 901794046 /nfs/dbraw/zinc/79/40/46/901794046.db2.gz FBVMPXYSPWSAFQ-UHFFFAOYSA-N 0 0 404.291 4.074 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Br)s1 ZINC000486705406 901803877 /nfs/dbraw/zinc/80/38/77/901803877.db2.gz CIDGALZIUXEJIA-UHFFFAOYSA-N 0 0 409.183 4.368 20 5 HIBDRN COc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC(F)F ZINC000486710536 901806542 /nfs/dbraw/zinc/80/65/42/901806542.db2.gz UBKFOUQMYVLGBB-UHFFFAOYSA-N 0 0 420.290 4.154 20 5 HIBDRN O=C(COc1ccccc1C(F)(F)F)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486720840 901812624 /nfs/dbraw/zinc/81/26/24/901812624.db2.gz FNRWHJUMOXOSEB-UHFFFAOYSA-N 0 0 422.281 4.328 20 5 HIBDRN COc1ccccc1SCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486725564 901815277 /nfs/dbraw/zinc/81/52/77/901815277.db2.gz XWEDDSQDEOEANK-UHFFFAOYSA-N 0 0 400.378 4.031 20 5 HIBDRN COCCN(Cc1sccc1Br)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000486747418 901826720 /nfs/dbraw/zinc/82/67/20/901826720.db2.gz QRWYZHUJTOTJSA-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN CCN(Cc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486859700 901905307 /nfs/dbraw/zinc/90/53/07/901905307.db2.gz RZVPZSAAFCWFKP-UHFFFAOYSA-N 0 0 405.838 4.397 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486868049 901914050 /nfs/dbraw/zinc/91/40/50/901914050.db2.gz LOEOQIOHKWIMOW-MLGOLLRUSA-N 0 0 415.421 4.239 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(Cc2ccc(F)cc2)C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000486868384 901914297 /nfs/dbraw/zinc/91/42/97/901914297.db2.gz RJJNPOFTHFIDLF-UHFFFAOYSA-N 0 0 403.410 4.271 20 5 HIBDRN COC(=O)c1cc(NC(=O)NC(C)(C)c2ccc(F)c(F)c2)c(C)c([N+](=O)[O-])c1 ZINC000486871761 901917184 /nfs/dbraw/zinc/91/71/84/901917184.db2.gz HRPWJIGGCQPWCP-UHFFFAOYSA-N 0 0 407.373 4.025 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(C)c([N+](=O)[O-])c1 ZINC000486872666 901918514 /nfs/dbraw/zinc/91/85/14/901918514.db2.gz JLPSAULLGVFTNO-QGZVFWFLSA-N 0 0 401.394 4.198 20 5 HIBDRN CC[C@H](NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1ccc(F)cc1F ZINC000486873406 901918538 /nfs/dbraw/zinc/91/85/38/901918538.db2.gz KVMXIIJWWGKIMX-HNNXBMFYSA-N 0 0 407.373 4.241 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c(C)c([N+](=O)[O-])c1 ZINC000486876182 901920897 /nfs/dbraw/zinc/92/08/97/901920897.db2.gz CJAXMOCDXAMKSX-NSHDSACASA-N 0 0 423.372 4.174 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486876895 901922765 /nfs/dbraw/zinc/92/27/65/901922765.db2.gz DPWBSNYODJQXLI-RDJZCZTQSA-N 0 0 411.458 4.175 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486878253 901924409 /nfs/dbraw/zinc/92/44/09/901924409.db2.gz HOMYMYOTVFOJIB-CQSZACIVSA-N 0 0 417.384 4.132 20 5 HIBDRN Cc1cc(C)c(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(=O)[nH]1 ZINC000486882531 901928287 /nfs/dbraw/zinc/92/82/87/901928287.db2.gz PIGPQFOWMBUBET-UHFFFAOYSA-N 0 0 409.467 4.393 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@H]2/C=C/c2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000486884437 901931756 /nfs/dbraw/zinc/93/17/56/901931756.db2.gz RWQTYMDHXBUKNC-ZGKFYVQTSA-N 0 0 409.442 4.400 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)c(C)c([N+](=O)[O-])c1 ZINC000486902196 901947746 /nfs/dbraw/zinc/94/77/46/901947746.db2.gz WBKKHXKIBSVTSC-BLVKFPJESA-N 0 0 415.421 4.444 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)Cc1ccc(F)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000486925116 901967423 /nfs/dbraw/zinc/96/74/23/901967423.db2.gz DROJGHBGFNDKTM-QGZVFWFLSA-N 0 0 422.840 4.129 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(N[C@@H]3CCOc4ccc(Br)cc43)n2)cc1 ZINC000486945001 901982595 /nfs/dbraw/zinc/98/25/95/901982595.db2.gz PRUMVJARBHSQGL-CQSZACIVSA-N 0 0 417.219 4.343 20 5 HIBDRN O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487007869 902011501 /nfs/dbraw/zinc/01/15/01/902011501.db2.gz RNBNQJFMYXNSEM-UHFFFAOYSA-N 0 0 423.907 4.107 20 5 HIBDRN Cc1nc(-c2ccccc2C)sc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487010287 902013438 /nfs/dbraw/zinc/01/34/38/902013438.db2.gz XQSAEEIHEBTFOX-UHFFFAOYSA-N 0 0 411.487 4.009 20 5 HIBDRN CC(C)=CCSc1ccccc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487045957 902037794 /nfs/dbraw/zinc/03/77/94/902037794.db2.gz MXHNTUIYQGRICG-UHFFFAOYSA-N 0 0 400.504 4.327 20 5 HIBDRN COC(=O)c1cccc(NC2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)c1 ZINC000487074651 902048236 /nfs/dbraw/zinc/04/82/36/902048236.db2.gz MNNXYJZFVHBINN-UHFFFAOYSA-N 0 0 406.442 4.011 20 5 HIBDRN Cc1ccc([C@@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000487100325 902058833 /nfs/dbraw/zinc/05/88/33/902058833.db2.gz NPIWSINDWMFBLG-LLVKDONJSA-N 0 0 403.287 4.391 20 5 HIBDRN COc1cc(OC)cc(N2CC[C@@H](CNc3ccc4ncccc4c3[N+](=O)[O-])C2)c1 ZINC000487111277 902061316 /nfs/dbraw/zinc/06/13/16/902061316.db2.gz RYTXICMVXOGQHB-HNNXBMFYSA-N 0 0 408.458 4.099 20 5 HIBDRN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487121017 902066185 /nfs/dbraw/zinc/06/61/85/902066185.db2.gz DYQGRVSROMTTBR-ZDUSSCGKSA-N 0 0 424.682 4.019 20 5 HIBDRN O=C(Nc1ccc2c(c1)OCC(=O)N2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487242309 902112692 /nfs/dbraw/zinc/11/26/92/902112692.db2.gz PIWPPJUGBYSMCX-UHFFFAOYSA-N 0 0 421.434 4.329 20 5 HIBDRN CS(=O)(=O)c1cc(C(=O)N(c2ccsc2)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000487251631 902120917 /nfs/dbraw/zinc/12/09/17/902120917.db2.gz GSTKMMWYBMBQOH-UHFFFAOYSA-N 0 0 408.501 4.039 20 5 HIBDRN Cc1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc1Cc1ccc(F)cc1F ZINC000487630615 902260482 /nfs/dbraw/zinc/26/04/82/902260482.db2.gz IQFUCNRPCJOSSY-UHFFFAOYSA-N 0 0 403.410 4.410 20 5 HIBDRN CCNC(=O)Nc1ccc(C)c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000487660210 902280387 /nfs/dbraw/zinc/28/03/87/902280387.db2.gz MYGIMRKRENCVNM-CYBMUJFWSA-N 0 0 402.476 4.164 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000487667151 902282714 /nfs/dbraw/zinc/28/27/14/902282714.db2.gz FUPREWHCOJBZOZ-AULYBMBSSA-N 0 0 414.330 4.497 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CSc2ccc(Br)cc21 ZINC000487668287 902283923 /nfs/dbraw/zinc/28/39/23/902283923.db2.gz QATHXCYYNWRLJD-CYBMUJFWSA-N 0 0 423.288 4.089 20 5 HIBDRN Cc1nc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)sc1Cc1ccccc1F ZINC000487676331 902286446 /nfs/dbraw/zinc/28/64/46/902286446.db2.gz PIYBPGKJVNHPCG-UHFFFAOYSA-N 0 0 415.402 4.071 20 5 HIBDRN CCCNC(=O)CSc1nnc(SCc2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000487690250 902294996 /nfs/dbraw/zinc/29/49/96/902294996.db2.gz ORVGPEZJXRMBLC-UHFFFAOYSA-N 0 0 418.953 4.010 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000487722303 902316550 /nfs/dbraw/zinc/31/65/50/902316550.db2.gz QUHNXSXJUFAEFW-HIFRSBDPSA-N 0 0 417.535 4.474 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487722788 902318067 /nfs/dbraw/zinc/31/80/67/902318067.db2.gz AWILUJIZZBKKDU-KSSFIOAISA-N 0 0 406.385 4.094 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)c1 ZINC000487772427 902355103 /nfs/dbraw/zinc/35/51/03/902355103.db2.gz UDRZVWQUYGPXMQ-UHFFFAOYSA-N 0 0 420.412 4.497 20 5 HIBDRN COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C)c1ccccc1 ZINC000487786202 902363953 /nfs/dbraw/zinc/36/39/53/902363953.db2.gz BARSFKGOIUGHGR-GOSISDBHSA-N 0 0 416.499 4.030 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H](C)Cc3ccncc3)cc2[N+](=O)[O-])n1 ZINC000487823267 902387843 /nfs/dbraw/zinc/38/78/43/902387843.db2.gz QVALFIJZGDOQKJ-GFCCVEGCSA-N 0 0 414.512 4.267 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)CC(=O)Nc1c(C)cccc1C ZINC000487867158 902414759 /nfs/dbraw/zinc/41/47/59/902414759.db2.gz AMVGGDZUDVCDPO-UHFFFAOYSA-N 0 0 415.515 4.424 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000487887240 902429970 /nfs/dbraw/zinc/42/99/70/902429970.db2.gz YIKGQDQJQIJIGE-SGTLLEGYSA-N 0 0 406.891 4.162 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N(c1ccccc1)C1CCCCC1 ZINC000487892333 902432924 /nfs/dbraw/zinc/43/29/24/902432924.db2.gz TZIFUFSSLPNBLI-UHFFFAOYSA-N 0 0 405.454 4.276 20 5 HIBDRN C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000487924645 902455948 /nfs/dbraw/zinc/45/59/48/902455948.db2.gz UHIKGXDLMHTEHP-OAHLLOKOSA-N 0 0 416.909 4.451 20 5 HIBDRN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccn(-c4ccc(F)cc4F)n3)CC2)cc1 ZINC000487943010 902474208 /nfs/dbraw/zinc/47/42/08/902474208.db2.gz GSSCCOYLOXTSOB-UHFFFAOYSA-N 0 0 414.412 4.102 20 5 HIBDRN C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000487993046 902515359 /nfs/dbraw/zinc/51/53/59/902515359.db2.gz MKWCDEPGZJMCAK-AWEZNQCLSA-N 0 0 421.453 4.015 20 5 HIBDRN C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000488014050 902535500 /nfs/dbraw/zinc/53/55/00/902535500.db2.gz MRUCNVARAVYSPC-NSHDSACASA-N 0 0 413.808 4.453 20 5 HIBDRN Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000488020226 902539149 /nfs/dbraw/zinc/53/91/49/902539149.db2.gz AOPGXIMSNIXEEY-AWEZNQCLSA-N 0 0 412.471 4.378 20 5 HIBDRN CSC1(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCOCC1 ZINC000488039024 902555928 /nfs/dbraw/zinc/55/59/28/902555928.db2.gz BXNOPGOADSYNLL-UHFFFAOYSA-N 0 0 418.540 4.388 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000488039960 902555974 /nfs/dbraw/zinc/55/59/74/902555974.db2.gz JQTHLDXDTASKIB-SJLPKXTDSA-N 0 0 410.474 4.025 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000488038204 902556110 /nfs/dbraw/zinc/55/61/10/902556110.db2.gz YWULATNYZHNCOX-LBPRGKRZSA-N 0 0 416.384 4.386 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000488058326 902573266 /nfs/dbraw/zinc/57/32/66/902573266.db2.gz PXFZTBOQOFIRFL-PPDQVPDSSA-N 0 0 415.534 4.336 20 5 HIBDRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488065850 902578325 /nfs/dbraw/zinc/57/83/25/902578325.db2.gz ODBKXDVXOYYCOM-GIMINZRKSA-N 0 0 423.513 4.080 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1[N+](=O)[O-] ZINC000488080650 902588002 /nfs/dbraw/zinc/58/80/02/902588002.db2.gz WQNNIJFZOMPHAS-CQSZACIVSA-N 0 0 408.433 4.208 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(OC2CCCCC2)CC1 ZINC000488082079 902589359 /nfs/dbraw/zinc/58/93/59/902589359.db2.gz ZNNUVUIOGXKPJZ-UHFFFAOYSA-N 0 0 409.914 4.314 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000488090970 902595232 /nfs/dbraw/zinc/59/52/32/902595232.db2.gz LVUIIILEZINJEL-ICSRJNTNSA-N 0 0 423.513 4.250 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] ZINC000488095673 902599835 /nfs/dbraw/zinc/59/98/35/902599835.db2.gz RRHOIKCARXIZKS-HNNXBMFYSA-N 0 0 423.494 4.386 20 5 HIBDRN O=[N+]([O-])c1cnc2ccccc2c1N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000488126227 902624277 /nfs/dbraw/zinc/62/42/77/902624277.db2.gz MXXHDLDHEQRGDU-UHFFFAOYSA-N 0 0 405.483 4.075 20 5 HIBDRN CC(C)(NC(=O)NCc1cccc(NC(=O)C2CCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000488170613 902661067 /nfs/dbraw/zinc/66/10/67/902661067.db2.gz QIHMDIKVJZOMBM-UHFFFAOYSA-N 0 0 410.474 4.068 20 5 HIBDRN C[C@@H](Nc1cnn([C@H](C)C2CC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000488205334 902687962 /nfs/dbraw/zinc/68/79/62/902687962.db2.gz SLZAALVNMRTVBO-GHMZBOCLSA-N 0 0 411.384 4.220 20 5 HIBDRN O=C(N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000488217737 902697972 /nfs/dbraw/zinc/69/79/72/902697972.db2.gz LEZAIPNKIPLDRZ-HNNXBMFYSA-N 0 0 423.231 4.478 20 5 HIBDRN COc1c(F)cc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000488229334 902706666 /nfs/dbraw/zinc/70/66/66/902706666.db2.gz HNQYOCGLUHIPTI-UHFFFAOYSA-N 0 0 416.430 4.134 20 5 HIBDRN Cn1nc(-c2ccsc2)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488272428 902739278 /nfs/dbraw/zinc/73/92/78/902739278.db2.gz AJBHBWHJOPQNJN-UHFFFAOYSA-N 0 0 408.892 4.441 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000488277711 902742012 /nfs/dbraw/zinc/74/20/12/902742012.db2.gz FHUYJWDVXBZHHM-UHFFFAOYSA-N 0 0 410.455 4.018 20 5 HIBDRN CCC(=O)Nc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000488336135 902772489 /nfs/dbraw/zinc/77/24/89/902772489.db2.gz TUFYHIKYAGGJOK-UHFFFAOYSA-N 0 0 410.352 4.284 20 5 HIBDRN CCCOc1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Cl ZINC000488345725 902779283 /nfs/dbraw/zinc/77/92/83/902779283.db2.gz KCDGEBNMMWDIMR-UHFFFAOYSA-N 0 0 407.858 4.103 20 5 HIBDRN Cc1nc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)sc1Cc1cccc(Br)c1 ZINC000488373457 902786766 /nfs/dbraw/zinc/78/67/66/902786766.db2.gz DCMDSIGYESZWSS-UHFFFAOYSA-N 0 0 421.276 4.293 20 5 HIBDRN CC(C)(NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000488383203 902792178 /nfs/dbraw/zinc/79/21/78/902792178.db2.gz WLKLTERXNCEMMV-UHFFFAOYSA-N 0 0 424.501 4.458 20 5 HIBDRN CC(=O)Nc1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1C ZINC000488397984 902807739 /nfs/dbraw/zinc/80/77/39/902807739.db2.gz MXOXWGXDPSWSOE-UHFFFAOYSA-N 0 0 410.352 4.202 20 5 HIBDRN O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488409784 902814013 /nfs/dbraw/zinc/81/40/13/902814013.db2.gz HWTIIVZORNPVEN-MRXNPFEDSA-N 0 0 418.356 4.176 20 5 HIBDRN CCOc1cc(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)c([N+](=O)[O-])cc1OC ZINC000488424771 902821530 /nfs/dbraw/zinc/82/15/30/902821530.db2.gz DRTISBFTIUWFAF-UHFFFAOYSA-N 0 0 416.396 4.387 20 5 HIBDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488437394 902825612 /nfs/dbraw/zinc/82/56/12/902825612.db2.gz DFFCAZWEZUESNF-UHFFFAOYSA-N 0 0 421.400 4.143 20 5 HIBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000488472361 902843248 /nfs/dbraw/zinc/84/32/48/902843248.db2.gz YIPGSYAAYWAZHJ-CQSZACIVSA-N 0 0 407.392 4.133 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000488476153 902845512 /nfs/dbraw/zinc/84/55/12/902845512.db2.gz IWJWKGQHMOZRCL-GWCFXTLKSA-N 0 0 412.393 4.289 20 5 HIBDRN CC(C)c1cnc(-c2ccc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2)o1 ZINC000488507728 902862116 /nfs/dbraw/zinc/86/21/16/902862116.db2.gz RINMLYWDZKIDHP-UHFFFAOYSA-N 0 0 424.461 4.439 20 5 HIBDRN O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488539939 902874552 /nfs/dbraw/zinc/87/45/52/902874552.db2.gz VCBBCPLWSBALPY-UHFFFAOYSA-N 0 0 417.441 4.121 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(F)c(F)cc21 ZINC000488551792 902879997 /nfs/dbraw/zinc/87/99/97/902879997.db2.gz HTHMMIRHNADKBL-UHFFFAOYSA-N 0 0 408.426 4.205 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H]2CSc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000488559836 902883039 /nfs/dbraw/zinc/88/30/39/902883039.db2.gz ODYDTMNMTIFKBI-GFCCVEGCSA-N 0 0 424.276 4.334 20 5 HIBDRN CC[C@@H](CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])Oc1ccccc1C ZINC000488651318 902919889 /nfs/dbraw/zinc/91/98/89/902919889.db2.gz DMVLTAMQAYXGJJ-ZDUSSCGKSA-N 0 0 424.400 4.101 20 5 HIBDRN CNC(=O)c1cc(Oc2cccc(Nc3ccc(C(C)=O)cc3[N+](=O)[O-])c2)ccn1 ZINC000488749517 902977688 /nfs/dbraw/zinc/97/76/88/902977688.db2.gz RYBLGALDHVOIDA-UHFFFAOYSA-N 0 0 406.398 4.088 20 5 HIBDRN COc1ccc(Cn2ccnc2SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000488781415 902995959 /nfs/dbraw/zinc/99/59/59/902995959.db2.gz GJWHPBRPVFFFJP-UHFFFAOYSA-N 0 0 423.454 4.191 20 5 HIBDRN C[C@@H](Sc1ccc(C(F)(F)F)nn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000488784815 902997410 /nfs/dbraw/zinc/99/74/10/902997410.db2.gz QTXWFGJULBFMIH-SSDOTTSWSA-N 0 0 406.773 4.176 20 5 HIBDRN C[C@H](Sc1ccc(C(F)(F)F)nn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000488784818 902997576 /nfs/dbraw/zinc/99/75/76/902997576.db2.gz QTXWFGJULBFMIH-ZETCQYMHSA-N 0 0 406.773 4.176 20 5 HIBDRN CC1(C)Cc2c(cccc2Br)[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000488786532 903000010 /nfs/dbraw/zinc/00/00/10/903000010.db2.gz VJGQNNHMILSSIB-INIZCTEOSA-N 0 0 402.252 4.136 20 5 HIBDRN CC1CCN(C(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)CC1 ZINC000488791207 903002449 /nfs/dbraw/zinc/00/24/49/903002449.db2.gz CDVQFSZYYQOMOV-UHFFFAOYSA-N 0 0 415.534 4.003 20 5 HIBDRN Cc1cccnc1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000488966819 903098845 /nfs/dbraw/zinc/09/88/45/903098845.db2.gz GIJZFPNDKYCCIN-UHFFFAOYSA-N 0 0 410.861 4.494 20 5 HIBDRN Cc1ccc(Br)c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000489033267 903139466 /nfs/dbraw/zinc/13/94/66/903139466.db2.gz ISEHGWMPLNFSMW-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN CC(C)CCn1ncc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C(C)C ZINC000489086178 903187581 /nfs/dbraw/zinc/18/75/81/903187581.db2.gz WRNAPJZCBOLBKY-UHFFFAOYSA-N 0 0 417.514 4.026 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000489093974 903191995 /nfs/dbraw/zinc/19/19/95/903191995.db2.gz XHFSDVFFUNNQMQ-KSSFIOAISA-N 0 0 411.458 4.408 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc([N+](=O)[O-])cc1F ZINC000506018815 914695997 /nfs/dbraw/zinc/69/59/97/914695997.db2.gz BGFSZMOITLUWGA-LLVKDONJSA-N 0 0 411.355 4.354 20 5 HIBDRN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC(F)(F)F)c1 ZINC000489122349 903213299 /nfs/dbraw/zinc/21/32/99/903213299.db2.gz MXSCXACQPLOPKI-UHFFFAOYSA-N 0 0 403.744 4.222 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OC1CCC1 ZINC000489171149 903241214 /nfs/dbraw/zinc/24/12/14/903241214.db2.gz OBWFWOZVAQFRSF-UHFFFAOYSA-N 0 0 416.499 4.195 20 5 HIBDRN COc1ccc(CCNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000489222598 903273262 /nfs/dbraw/zinc/27/32/62/903273262.db2.gz SMWZAMQLEDJMRA-CYBMUJFWSA-N 0 0 423.416 4.116 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[N+](=O)[O-] ZINC000489273139 903299491 /nfs/dbraw/zinc/29/94/91/903299491.db2.gz XVTIRXDBGAZNPC-SZNDQCEHSA-N 0 0 411.458 4.186 20 5 HIBDRN COc1ccc(Br)c(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000489284875 903306953 /nfs/dbraw/zinc/30/69/53/903306953.db2.gz CRDNLQCRDUILBV-LBPRGKRZSA-N 0 0 422.279 4.235 20 5 HIBDRN CSC[C@@H]1CCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000489299070 903317370 /nfs/dbraw/zinc/31/73/70/903317370.db2.gz WCOSVRSYDJOSNB-HOCLYGCPSA-N 0 0 400.504 4.131 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1CCCc1ccccc1 ZINC000489299083 903317466 /nfs/dbraw/zinc/31/74/66/903317466.db2.gz WEQIBKOZMXKLEZ-KRWDZBQOSA-N 0 0 405.454 4.476 20 5 HIBDRN O=C(NCCc1cccc(C(F)(F)F)n1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000489362567 903345217 /nfs/dbraw/zinc/34/52/17/903345217.db2.gz VLGJMFRKKZEUGK-UHFFFAOYSA-N 0 0 416.359 4.043 20 5 HIBDRN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000489365214 903346834 /nfs/dbraw/zinc/34/68/34/903346834.db2.gz JHBBHDQSKBYCAF-UHFFFAOYSA-N 0 0 417.212 4.216 20 5 HIBDRN Cc1ccccc1[C@@H](OC[C@@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccccc1 ZINC000489378917 903352964 /nfs/dbraw/zinc/35/29/64/903352964.db2.gz KHFOGNHCTFFXGI-CVDCTZTESA-N 0 0 407.470 4.144 20 5 HIBDRN CCc1ccc(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)cc1[N+](=O)[O-] ZINC000489383388 903355768 /nfs/dbraw/zinc/35/57/68/903355768.db2.gz ABSXXLYBOFJPFR-UHFFFAOYSA-N 0 0 406.229 4.297 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000489456012 903394483 /nfs/dbraw/zinc/39/44/83/903394483.db2.gz KITGCOMTXVDBPS-UHFFFAOYSA-N 0 0 402.398 4.354 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1Br ZINC000489461026 903397744 /nfs/dbraw/zinc/39/77/44/903397744.db2.gz XCPYEJIRYOFFTF-LBPRGKRZSA-N 0 0 409.305 4.197 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCSC[C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000489472935 903403781 /nfs/dbraw/zinc/40/37/81/903403781.db2.gz DEPPCRMMTITEFT-LLVKDONJSA-N 0 0 409.558 4.336 20 5 HIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000489529902 903441837 /nfs/dbraw/zinc/44/18/37/903441837.db2.gz MUMRUXIHDJPFJK-HNNXBMFYSA-N 0 0 407.474 4.384 20 5 HIBDRN O=C(NCc1cc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000489627520 903504664 /nfs/dbraw/zinc/50/46/64/903504664.db2.gz WLXUIBKFRRUHOC-UHFFFAOYSA-N 0 0 411.468 4.009 20 5 HIBDRN CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1cccnc1 ZINC000489653335 903518655 /nfs/dbraw/zinc/51/86/55/903518655.db2.gz JCYRQYNTWGSBRP-GFCCVEGCSA-N 0 0 423.458 4.172 20 5 HIBDRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccc(F)cc1 ZINC000489655460 903521958 /nfs/dbraw/zinc/52/19/58/903521958.db2.gz MGISBMLEMCYCQY-UHFFFAOYSA-N 0 0 415.450 4.052 20 5 HIBDRN C[C@H](Sc1nnc(CCCc2ccccc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489663197 903527235 /nfs/dbraw/zinc/52/72/35/903527235.db2.gz CMEVRNMPRYOTGJ-AWEZNQCLSA-N 0 0 412.471 4.272 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2nnc(CCc3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000489676538 903538030 /nfs/dbraw/zinc/53/80/30/903538030.db2.gz MWTXIKVUSUAAOR-AWEZNQCLSA-N 0 0 412.471 4.191 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(C)cc2Br)c(C)c([N+](=O)[O-])c1 ZINC000489745807 903572586 /nfs/dbraw/zinc/57/25/86/903572586.db2.gz OEIOJDNPETUNJU-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN CCCc1c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cnn1-c1ccccc1 ZINC000489750709 903578030 /nfs/dbraw/zinc/57/80/30/903578030.db2.gz AGCZDAHKTMYDBK-UHFFFAOYSA-N 0 0 422.441 4.080 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(C2CCCCC2)no1 ZINC000489863459 903638191 /nfs/dbraw/zinc/63/81/91/903638191.db2.gz ZFDJSLHXQQRGRN-SNVBAGLBSA-N 0 0 410.377 4.118 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000489898134 903658362 /nfs/dbraw/zinc/65/83/62/903658362.db2.gz GTAVODYXPQNNKT-WFASDCNBSA-N 0 0 420.453 4.432 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000489903825 903663052 /nfs/dbraw/zinc/66/30/52/903663052.db2.gz HKYKCZFRNDZSKJ-CQSZACIVSA-N 0 0 405.907 4.369 20 5 HIBDRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000489902893 903663265 /nfs/dbraw/zinc/66/32/65/903663265.db2.gz CZMKDNLMKJJXSU-UHFFFAOYSA-N 0 0 417.487 4.060 20 5 HIBDRN CC(C)(NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000489905257 903664797 /nfs/dbraw/zinc/66/47/97/903664797.db2.gz FQZYLXOPQNXEQV-WMZOPIPTSA-N 0 0 421.856 4.452 20 5 HIBDRN Cc1sc(NC(=O)c2snnc2C(C)(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000489909468 903666982 /nfs/dbraw/zinc/66/69/82/903666982.db2.gz HNPPSOKSAFVNQG-UHFFFAOYSA-N 0 0 403.489 4.428 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000489910289 903669108 /nfs/dbraw/zinc/66/91/08/903669108.db2.gz IGHWHTHGSHZAET-KRWDZBQOSA-N 0 0 411.506 4.095 20 5 HIBDRN O=C(CCCCC(=O)c1ccc(F)cc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000489951206 903692791 /nfs/dbraw/zinc/69/27/91/903692791.db2.gz DNFIXFUXVMOWBC-UHFFFAOYSA-N 0 0 406.841 4.489 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000489966113 903701651 /nfs/dbraw/zinc/70/16/51/903701651.db2.gz NTYZZHOGLJHRBV-ROUUACIJSA-N 0 0 421.501 4.393 20 5 HIBDRN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](C)C(=O)Nc1ccccc1C ZINC000489973310 903706070 /nfs/dbraw/zinc/70/60/70/903706070.db2.gz SKLBQILNPMSEBG-CQSZACIVSA-N 0 0 403.866 4.436 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1SCCc2ccccc21 ZINC000489985663 903712310 /nfs/dbraw/zinc/71/23/10/903712310.db2.gz XOVZSMRDCUZUJA-LJQANCHMSA-N 0 0 418.540 4.094 20 5 HIBDRN CC(C)c1cc(Br)ccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000490031670 903733164 /nfs/dbraw/zinc/73/31/64/903733164.db2.gz OMDUUGHWJVECCU-UHFFFAOYSA-N 0 0 407.220 4.462 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000512385196 921121633 /nfs/dbraw/zinc/12/16/33/921121633.db2.gz BZSOFRUZZBYABM-GOSISDBHSA-N 0 0 412.339 4.333 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCC[C@@H](CO)C1 ZINC000490129705 903782273 /nfs/dbraw/zinc/78/22/73/903782273.db2.gz SAONJNWTFUIDEH-CYBMUJFWSA-N 0 0 406.891 4.244 20 5 HIBDRN CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CCOCC1 ZINC000490192114 903818583 /nfs/dbraw/zinc/81/85/83/903818583.db2.gz ASSYDNVCRKPWAG-UHFFFAOYSA-N 0 0 417.893 4.407 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000490193349 903819764 /nfs/dbraw/zinc/81/97/64/903819764.db2.gz MTIUMJXLPUNBHC-INIZCTEOSA-N 0 0 410.495 4.420 20 5 HIBDRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490208122 903828974 /nfs/dbraw/zinc/82/89/74/903828974.db2.gz UHVMIISBIVBGBF-CQSZACIVSA-N 0 0 403.429 4.057 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])OC(C)C ZINC000490274054 903869372 /nfs/dbraw/zinc/86/93/72/903869372.db2.gz PGJYLWLASANLJI-FQEVSTJZSA-N 0 0 415.490 4.304 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)cccc1[N+](=O)[O-] ZINC000490276764 903870295 /nfs/dbraw/zinc/87/02/95/903870295.db2.gz VBZVUVZTNWMGTK-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000490359197 903952587 /nfs/dbraw/zinc/95/25/87/903952587.db2.gz CLWGIBZBHAAASS-VIFPVBQESA-N 0 0 402.398 4.366 20 5 HIBDRN CC(C)(c1nc(-c2ccc([N+](=O)[O-])cc2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000490360189 903952819 /nfs/dbraw/zinc/95/28/19/903952819.db2.gz CELLBGPVYADZRZ-UHFFFAOYSA-N 0 0 407.835 4.007 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000490361669 903953845 /nfs/dbraw/zinc/95/38/45/903953845.db2.gz FFVQIQQGESBOQO-ZIAGYGMSSA-N 0 0 417.347 4.141 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(Cc2ccccc2CO)CC1 ZINC000490407264 903992129 /nfs/dbraw/zinc/99/21/29/903992129.db2.gz FTPKKBLUAJOZIU-UHFFFAOYSA-N 0 0 422.403 4.201 20 5 HIBDRN Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000490560928 904100625 /nfs/dbraw/zinc/10/06/25/904100625.db2.gz WVYOMEXHIQNRDE-UHFFFAOYSA-N 0 0 407.451 4.406 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000490612635 904135473 /nfs/dbraw/zinc/13/54/73/904135473.db2.gz VGHZWNNHVDVLCL-UHFFFAOYSA-N 0 0 417.303 4.397 20 5 HIBDRN CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000490654097 904156583 /nfs/dbraw/zinc/15/65/83/904156583.db2.gz GEPXKICEJCABRZ-LBPRGKRZSA-N 0 0 422.434 4.261 20 5 HIBDRN COCCn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc21 ZINC000490707390 904182860 /nfs/dbraw/zinc/18/28/60/904182860.db2.gz FIYXXEMBFLQCGZ-UHFFFAOYSA-N 0 0 405.357 4.050 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(CC(F)F)c1ccc(F)cc1 ZINC000490716813 904189392 /nfs/dbraw/zinc/18/93/92/904189392.db2.gz CCBBWVYZHODZDC-UHFFFAOYSA-N 0 0 417.181 4.337 20 5 HIBDRN CCCCOc1ccc(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c(C)c1 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CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000491546029 904645610 /nfs/dbraw/zinc/64/56/10/904645610.db2.gz MCIMVPOLJOEKMK-AWEZNQCLSA-N 0 0 424.284 4.286 20 5 HIBDRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)CC3 ZINC000491648232 904677152 /nfs/dbraw/zinc/67/71/52/904677152.db2.gz HKOITCXYKGFQNC-MRXNPFEDSA-N 0 0 402.454 4.013 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3c[nH]c4ncccc34)c(C)s2)c1 ZINC000506176128 914833757 /nfs/dbraw/zinc/83/37/57/914833757.db2.gz UJAVZGDVFPSVEM-UHFFFAOYSA-N 0 0 409.427 4.164 20 5 HIBDRN COc1cc(CN(C)Cc2nc3ccccc3s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491921573 904732171 /nfs/dbraw/zinc/73/21/71/904732171.db2.gz RPQWYTDMVQSHCM-UHFFFAOYSA-N 0 0 423.441 4.489 20 5 HIBDRN CCOc1cc(CSc2nnc(-c3cc(OC)cc(OC)c3)o2)ccc1[N+](=O)[O-] ZINC000491938049 904737404 /nfs/dbraw/zinc/73/74/04/904737404.db2.gz SSXKHRRRRKBYLS-UHFFFAOYSA-N 0 0 417.443 4.353 20 5 HIBDRN CO[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000491959555 904743957 /nfs/dbraw/zinc/74/39/57/904743957.db2.gz RIAJKEPVYWRMLN-JOCHJYFZSA-N 0 0 406.438 4.291 20 5 HIBDRN Cn1c(C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)ccc1[N+](=O)[O-] ZINC000506199935 914842845 /nfs/dbraw/zinc/84/28/45/914842845.db2.gz KOPNQPQDBXUAKF-UHFFFAOYSA-N 0 0 411.439 4.108 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1-c1nc(-c2cccc(Cn3nc(C)cc3C)c2)no1 ZINC000492194367 904813182 /nfs/dbraw/zinc/81/31/82/904813182.db2.gz RJGRGILDFIOPHG-UHFFFAOYSA-N 0 0 405.414 4.182 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000492209739 904814847 /nfs/dbraw/zinc/81/48/47/904814847.db2.gz VICSHWSCXRJURV-UHFFFAOYSA-N 0 0 406.398 4.500 20 5 HIBDRN CCOc1cc(CSc2nnc(C3CC3)n2Cc2ccco2)ccc1[N+](=O)[O-] ZINC000492314552 904833409 /nfs/dbraw/zinc/83/34/09/904833409.db2.gz TWLCWHYATLSIKR-UHFFFAOYSA-N 0 0 400.460 4.396 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000492393974 904842124 /nfs/dbraw/zinc/84/21/24/904842124.db2.gz GHHOKGICEQIUJI-UHFFFAOYSA-N 0 0 415.449 4.452 20 5 HIBDRN COc1cc([C@H](NCc2c(F)cccc2[N+](=O)[O-])C(F)(F)F)cc(OC)c1OC ZINC000492491611 904859322 /nfs/dbraw/zinc/85/93/22/904859322.db2.gz SYOSUFULERYACL-KRWDZBQOSA-N 0 0 418.343 4.153 20 5 HIBDRN CCOc1cc(CN(Cc2nc3ccccc3c(=O)[nH]2)[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000492517586 904863936 /nfs/dbraw/zinc/86/39/36/904863936.db2.gz XXCMJEUDCYRGPX-HNNXBMFYSA-N 0 0 410.474 4.443 20 5 HIBDRN CCOc1cc(CNc2ccc3nccnc3c2Br)ccc1[N+](=O)[O-] ZINC000506221795 914850435 /nfs/dbraw/zinc/85/04/35/914850435.db2.gz VTPLXPRWAOKOIT-UHFFFAOYSA-N 0 0 403.236 4.311 20 5 HIBDRN Cc1ccc(S[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)c2ccccc2)c(C)c1 ZINC000492789017 904907450 /nfs/dbraw/zinc/90/74/50/904907450.db2.gz KHHOICUZPBLLCP-FQEVSTJZSA-N 0 0 410.499 4.058 20 5 HIBDRN COc1cc(CN2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)ccc1[N+](=O)[O-] ZINC000492849781 904924420 /nfs/dbraw/zinc/92/44/20/904924420.db2.gz DDMFVGMAONPPAT-OAQYLSRUSA-N 0 0 419.481 4.151 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000493007727 904986306 /nfs/dbraw/zinc/98/63/06/904986306.db2.gz ZWHCYBICAODVCR-WMZOPIPTSA-N 0 0 410.474 4.025 20 5 HIBDRN O=C(Nc1cccc(Cl)c1OCC(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000493031057 904995039 /nfs/dbraw/zinc/99/50/39/904995039.db2.gz HXDMKFCQZMALNT-UHFFFAOYSA-N 0 0 423.759 4.398 20 5 HIBDRN CCc1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCOC)ccc2o1 ZINC000493072304 905008619 /nfs/dbraw/zinc/00/86/19/905008619.db2.gz RKOSXEUNWTYCHE-UHFFFAOYSA-N 0 0 401.444 4.289 20 5 HIBDRN COC(=O)c1ccc(NCc2c(F)cc([N+](=O)[O-])cc2F)c(OCC(F)(F)F)c1 ZINC000506257626 914867743 /nfs/dbraw/zinc/86/77/43/914867743.db2.gz DOWUBUBOQGEDRZ-UHFFFAOYSA-N 0 0 420.290 4.213 20 5 HIBDRN COCCOc1ccc(Br)cc1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000506257620 914867968 /nfs/dbraw/zinc/86/79/68/914867968.db2.gz DKSCIIAUUXOIGQ-UHFFFAOYSA-N 0 0 417.206 4.273 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1OCC(F)(F)F ZINC000506260623 914869687 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HEVBJYKGBQGNLG-OAHLLOKOSA-N 0 0 414.290 4.316 20 5 HIBDRN COc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)s2)cc1 ZINC000493638859 905179725 /nfs/dbraw/zinc/17/97/25/905179725.db2.gz XCTYHIIYQRAPLG-UHFFFAOYSA-N 0 0 424.360 4.393 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)CCCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000493653239 905182937 /nfs/dbraw/zinc/18/29/37/905182937.db2.gz HALVJDBTOIUYKD-GFCCVEGCSA-N 0 0 411.446 4.158 20 5 HIBDRN CNC(=O)c1ccc(N(Cc2cccc(-c3cccnc3)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000493673957 905188839 /nfs/dbraw/zinc/18/88/39/905188839.db2.gz CJFKZIMBBUVJLL-UHFFFAOYSA-N 0 0 402.454 4.185 20 5 HIBDRN CC(C)(C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000493721027 905201663 /nfs/dbraw/zinc/20/16/63/905201663.db2.gz BAQLWDKYMGDPLL-UHFFFAOYSA-N 0 0 417.465 4.441 20 5 HIBDRN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000493915368 905265324 /nfs/dbraw/zinc/26/53/24/905265324.db2.gz DLUVEDSQHYUPDN-FJNPEDAXSA-N 0 0 416.384 4.104 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2OC2CCCC2)cc1[N+](=O)[O-] ZINC000493916333 905267008 /nfs/dbraw/zinc/26/70/08/905267008.db2.gz IVJOEAVVQKIGFG-OAHLLOKOSA-N 0 0 411.458 4.041 20 5 HIBDRN C[C@@H](Sc1ccccc1)c1ccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000494020593 905361337 /nfs/dbraw/zinc/36/13/37/905361337.db2.gz YWCCGVMMFMSRNB-OAHLLOKOSA-N 0 0 411.487 4.466 20 5 HIBDRN Cc1nc(-c2ccc(C)c(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)n[nH]1 ZINC000494038189 905380759 /nfs/dbraw/zinc/38/07/59/905380759.db2.gz NPPQTYJEJSVENU-UHFFFAOYSA-N 0 0 406.446 4.193 20 5 HIBDRN COC(=O)COc1cccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000494039792 905381985 /nfs/dbraw/zinc/38/19/85/905381985.db2.gz QECOGSQKHNMKAD-QHCPKHFHSA-N 0 0 406.438 4.026 20 5 HIBDRN NC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccccc1 ZINC000512421444 921148059 /nfs/dbraw/zinc/14/80/59/921148059.db2.gz KNDDJINBOQMMOR-IBGZPJMESA-N 0 0 421.478 4.093 20 5 HIBDRN 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LTPPJDGBESWADT-ZDUSSCGKSA-N 0 0 422.890 4.394 20 5 HIBDRN COc1ccc(NC(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)cc1[N+](=O)[O-] ZINC000494638516 905876686 /nfs/dbraw/zinc/87/66/86/905876686.db2.gz RJUMUAMWGAEFFE-UHFFFAOYSA-N 0 0 400.822 4.259 20 5 HIBDRN COC(=O)c1ccc([C@@H](NCc2c(Cl)cccc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000494702857 905909125 /nfs/dbraw/zinc/90/91/25/905909125.db2.gz KYSQPVFYOCKYQQ-OAHLLOKOSA-N 0 0 402.756 4.428 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000494754981 905955679 /nfs/dbraw/zinc/95/56/79/905955679.db2.gz AFXZUAYFUHONPW-OXJNMPFZSA-N 0 0 420.469 4.016 20 5 HIBDRN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000494777446 905974876 /nfs/dbraw/zinc/97/48/76/905974876.db2.gz CBHGDTDBCGTWQU-CYBMUJFWSA-N 0 0 414.462 4.316 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000494858799 906043559 /nfs/dbraw/zinc/04/35/59/906043559.db2.gz LQJMFISTHBKQKV-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)CCc1cccs1 ZINC000494883459 906060012 /nfs/dbraw/zinc/06/00/12/906060012.db2.gz QLEFVBUHVMCPJH-ZDUSSCGKSA-N 0 0 416.528 4.281 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1OCCc2sccc21 ZINC000494936350 906107717 /nfs/dbraw/zinc/10/77/17/906107717.db2.gz JKDPZPOTFXQPTN-ORAYPTAESA-N 0 0 401.488 4.033 20 5 HIBDRN C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1OCCc2sccc21 ZINC000494942339 906114074 /nfs/dbraw/zinc/11/40/74/906114074.db2.gz XDLRWWKQHOTORZ-BJOHPYRUSA-N 0 0 413.402 4.082 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H]1OCCc2sccc21 ZINC000494945070 906116049 /nfs/dbraw/zinc/11/60/49/906116049.db2.gz FESKEILSRMIGNZ-KUHUBIRLSA-N 0 0 403.504 4.279 20 5 HIBDRN O=C(NCC(c1ccccc1)c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000512510170 921207653 /nfs/dbraw/zinc/20/76/53/921207653.db2.gz WLHQOZHBIAFHEA-UHFFFAOYSA-N 0 0 412.449 4.342 20 5 HIBDRN 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DFOFQMFTYWSUQU-OAQYLSRUSA-N 0 0 412.515 4.410 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H](C)Cc2cccc(OC)c2)c([N+](=O)[O-])cc1OCC ZINC000497487302 906969527 /nfs/dbraw/zinc/96/95/27/906969527.db2.gz FRMPTEYZPWVZQH-AWEZNQCLSA-N 0 0 417.462 4.154 20 5 HIBDRN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000512672711 921282757 /nfs/dbraw/zinc/28/27/57/921282757.db2.gz JVIGGYWNRBAOSV-UHFFFAOYSA-N 0 0 411.468 4.397 20 5 HIBDRN CC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000497516028 907005529 /nfs/dbraw/zinc/00/55/29/907005529.db2.gz MIZPOSGZQSFAFH-UHFFFAOYSA-N 0 0 421.497 4.197 20 5 HIBDRN CS(=O)(=O)c1cccc(Sc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000497551963 907040892 /nfs/dbraw/zinc/04/08/92/907040892.db2.gz SYSXBYCZBQPTNN-UHFFFAOYSA-N 0 0 412.798 4.217 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NCc2ccc(N3CCCC3)nc2)c([N+](=O)[O-])c1 ZINC000497550438 907041742 /nfs/dbraw/zinc/04/17/42/907041742.db2.gz PJOICSZTQXBLKY-UHFFFAOYSA-N 0 0 402.454 4.433 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(C)C)C1 ZINC000512703451 921292640 /nfs/dbraw/zinc/29/26/40/921292640.db2.gz FGTPQVNZKPKIJA-GFCCVEGCSA-N 0 0 416.259 4.016 20 5 HIBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000497629887 907110365 /nfs/dbraw/zinc/11/03/65/907110365.db2.gz YZWYRSICJQSUEP-UHFFFAOYSA-N 0 0 415.471 4.039 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1CCOc2c(Br)cccc21)c1ccccc1[N+](=O)[O-] ZINC000512746940 921301031 /nfs/dbraw/zinc/30/10/31/921301031.db2.gz BDVHVUIFZPEPFB-OAHLLOKOSA-N 0 0 419.275 4.275 20 5 HIBDRN COc1ccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccc(C)cc2)cc1 ZINC000512763043 921303292 /nfs/dbraw/zinc/30/32/92/921303292.db2.gz IGHMOICNGYGHLU-IBGZPJMESA-N 0 0 418.496 4.041 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000512766619 921304186 /nfs/dbraw/zinc/30/41/86/921304186.db2.gz HWJYFVYHUFOXCX-UHFFFAOYSA-N 0 0 420.384 4.352 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(-c2ccncc2)cc1 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Cc1c(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cccc1[N+](=O)[O-] ZINC000502095472 911031769 /nfs/dbraw/zinc/03/17/69/911031769.db2.gz DUFQOVPMGYTJDS-UHFFFAOYSA-N 0 0 406.394 4.463 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000502095976 911034299 /nfs/dbraw/zinc/03/42/99/911034299.db2.gz HCEKNDAARSOSGP-UHFFFAOYSA-N 0 0 403.851 4.089 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000502117554 911045758 /nfs/dbraw/zinc/04/57/58/911045758.db2.gz DOBOBZZCPZVBKU-IFXJQAMLSA-N 0 0 405.882 4.208 20 5 HIBDRN Cc1cnc(OCC(=O)Nc2cccc(CSc3ccccn3)c2)c([N+](=O)[O-])c1 ZINC000502130619 911056061 /nfs/dbraw/zinc/05/60/61/911056061.db2.gz YEXUHPXZWZZQGA-UHFFFAOYSA-N 0 0 410.455 4.003 20 5 HIBDRN O=c1c([N+](=O)[O-])cc(Br)cn1CCCSc1ccccc1Cl ZINC000502133556 911059337 /nfs/dbraw/zinc/05/93/37/911059337.db2.gz XSEUZVBCUMIPGY-UHFFFAOYSA-N 0 0 403.685 4.355 20 5 HIBDRN COc1cc(C(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000502153808 911075178 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421.856 4.247 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cnc3onc(C)c3c2)cc1 ZINC000506510670 915136703 /nfs/dbraw/zinc/13/67/03/915136703.db2.gz ZUIBFCSQXZDGMK-UHFFFAOYSA-N 0 0 420.381 4.493 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)COc2c(Cl)cncc2[N+](=O)[O-])c2cccs2)cc1 ZINC000506544816 915191185 /nfs/dbraw/zinc/19/11/85/915191185.db2.gz FJYCTSCRAIQQPV-GOSISDBHSA-N 0 0 417.874 4.298 20 5 HIBDRN COc1cc(Cl)c(C(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)cc1OC ZINC000506553233 915198071 /nfs/dbraw/zinc/19/80/71/915198071.db2.gz WJCSPICRCRUXSK-UHFFFAOYSA-N 0 0 400.214 4.489 20 5 HIBDRN O=[N+]([O-])c1cncc(Cl)c1OCc1ccnc(-c2ccc(Br)cc2)n1 ZINC000506578990 915227309 /nfs/dbraw/zinc/22/73/09/915227309.db2.gz NQWWJLROTAQAOO-UHFFFAOYSA-N 0 0 421.638 4.442 20 5 HIBDRN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(C)cc1 ZINC000506645447 915314607 /nfs/dbraw/zinc/31/46/07/915314607.db2.gz HHNOTLKPVYTFOJ-INIZCTEOSA-N 0 0 424.238 4.389 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)c1OC 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AXQMTKASBYCPJJ-UHFFFAOYSA-N 0 0 418.375 4.162 20 5 HIBDRN CNC(=O)c1ccc(N(C)CCCCCc2cc(-c3ccccc3)no2)c([N+](=O)[O-])c1 ZINC000507028434 915830468 /nfs/dbraw/zinc/83/04/68/915830468.db2.gz WPMOGQJZXVCUEI-UHFFFAOYSA-N 0 0 422.485 4.459 20 5 HIBDRN O=C(NC1CC1)c1ccc(N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000507029562 915831225 /nfs/dbraw/zinc/83/12/25/915831225.db2.gz JBJOHVJZQGRKCW-YOEHRIQHSA-N 0 0 405.376 4.474 20 5 HIBDRN O=C(NCC1(c2ccc(Br)cc2Cl)CC1)c1ccccc1[N+](=O)[O-] ZINC000507107097 915873366 /nfs/dbraw/zinc/87/33/66/915873366.db2.gz RHMOKPWNFLGRKB-UHFFFAOYSA-N 0 0 409.667 4.472 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000507186106 915935356 /nfs/dbraw/zinc/93/53/56/915935356.db2.gz FFGXZGRUZIOVGU-CQSZACIVSA-N 0 0 402.882 4.371 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000507214463 915965604 /nfs/dbraw/zinc/96/56/04/915965604.db2.gz SOVGMYNKPLCHHS-UHFFFAOYSA-N 0 0 421.291 4.302 20 5 HIBDRN C[C@H](c1ccccc1Br)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507217550 915967450 /nfs/dbraw/zinc/96/74/50/915967450.db2.gz XGXBDRGUTHFPKS-GFCCVEGCSA-N 0 0 407.264 4.417 20 5 HIBDRN C[C@@H](N[C@@H](C)c1ccc(Br)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000507248066 916009821 /nfs/dbraw/zinc/00/98/21/916009821.db2.gz SEYBYDOQMIRGMK-WDEREUQCSA-N 0 0 410.243 4.174 20 5 HIBDRN Cc1cc(OCC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)ccc1[N+](=O)[O-] ZINC000507282009 916048665 /nfs/dbraw/zinc/04/86/65/916048665.db2.gz MCIYWVJGXFQUGA-NRFANRHFSA-N 0 0 420.469 4.426 20 5 HIBDRN CCCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000507297046 916064333 /nfs/dbraw/zinc/06/43/33/916064333.db2.gz OQSXNIMTNBTHJC-IRXDYDNUSA-N 0 0 412.490 4.495 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000507308657 916069479 /nfs/dbraw/zinc/06/94/79/916069479.db2.gz FPWIBNRGSRWKKB-AWEZNQCLSA-N 0 0 417.512 4.375 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 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C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000507769891 916555951 /nfs/dbraw/zinc/55/59/51/916555951.db2.gz KFZYLNCOQPJFNI-KPZWWZAWSA-N 0 0 424.284 4.302 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000507911043 916784467 /nfs/dbraw/zinc/78/44/67/916784467.db2.gz YYXCUGRNZVKVPD-UHFFFAOYSA-N 0 0 400.431 4.125 20 5 HIBDRN Cc1cc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000507933046 916806199 /nfs/dbraw/zinc/80/61/99/916806199.db2.gz BCKBDBAGNIPMNX-CQSZACIVSA-N 0 0 406.357 4.014 20 5 HIBDRN Cc1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000507948084 916811785 /nfs/dbraw/zinc/81/17/85/916811785.db2.gz AMAZGBRJCSXQGA-CQSZACIVSA-N 0 0 406.357 4.014 20 5 HIBDRN Cc1cc(Cl)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000507960277 916816139 /nfs/dbraw/zinc/81/61/39/916816139.db2.gz CTQPMAJUVSSICY-CYBMUJFWSA-N 0 0 412.229 4.046 20 5 HIBDRN CS(=O)(=O)c1ccc(C(=O)N[C@H](CC2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000507961811 916817227 /nfs/dbraw/zinc/81/72/27/916817227.db2.gz MYJWSQZRSMPQIJ-GOSISDBHSA-N 0 0 416.499 4.050 20 5 HIBDRN Cc1sc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[N+](=O)[O-] ZINC000507977209 916826025 /nfs/dbraw/zinc/82/60/25/916826025.db2.gz UUPYGXPXGDRHRP-ZDUSSCGKSA-N 0 0 416.434 4.174 20 5 HIBDRN Cc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1[N+](=O)[O-] ZINC000507988959 916832325 /nfs/dbraw/zinc/83/23/25/916832325.db2.gz IXHNAOSWXLXNQJ-OAHLLOKOSA-N 0 0 410.405 4.112 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N(Cc1ccccn1)C1CC1 ZINC000508066331 916888613 /nfs/dbraw/zinc/88/86/13/916888613.db2.gz BJPBZGOZCKTERV-UHFFFAOYSA-N 0 0 402.454 4.407 20 5 HIBDRN C[C@H](c1ccccc1)N(C1CCCC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000508125114 916943409 /nfs/dbraw/zinc/94/34/09/916943409.db2.gz LXVWZTISEDHZEZ-QGZVFWFLSA-N 0 0 402.516 4.473 20 5 HIBDRN O=C(COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])Nc1ccccc1F ZINC000508158617 916980150 /nfs/dbraw/zinc/98/01/50/916980150.db2.gz 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ZMJRCFFBRGNNDN-UHFFFAOYSA-N 0 0 417.494 4.142 20 5 HIBDRN CN(Cc1ccc(Br)cc1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514137599 922471352 /nfs/dbraw/zinc/47/13/52/922471352.db2.gz ZDWPIVCOCVNJGI-UHFFFAOYSA-N 0 0 415.190 4.231 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000514143208 922478086 /nfs/dbraw/zinc/47/80/86/922478086.db2.gz BUBIZVUJLQCIJJ-ZDUSSCGKSA-N 0 0 412.414 4.079 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000514227662 922564805 /nfs/dbraw/zinc/56/48/05/922564805.db2.gz TWWKXPUNSOQNPW-INIZCTEOSA-N 0 0 412.776 4.063 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCCc3cccc4cccnc43)cc2[N+](=O)[O-])C1 ZINC000514343474 922600134 /nfs/dbraw/zinc/60/01/34/922600134.db2.gz ANWMDJZBBPSOST-QGZVFWFLSA-N 0 0 418.497 4.352 20 5 HIBDRN CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(C)c1 ZINC000514348995 922602886 /nfs/dbraw/zinc/60/28/86/922602886.db2.gz UMKBMLAMGJFGKS-UHFFFAOYSA-N 0 0 411.487 4.303 20 5 HIBDRN COc1ccc(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 ZINC000514485807 922640583 /nfs/dbraw/zinc/64/05/83/922640583.db2.gz WQGOBQKUJKXIRR-UHFFFAOYSA-N 0 0 412.467 4.369 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CSc3nc(C4CC4)nn3-c3ccccc3)n2)cc1 ZINC000514571969 922707653 /nfs/dbraw/zinc/70/76/53/922707653.db2.gz JDEVUERCQVIXMI-UHFFFAOYSA-N 0 0 420.454 4.395 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(C[C@@H](C)c2ccccc2)o1 ZINC000514590649 922717402 /nfs/dbraw/zinc/71/74/02/922717402.db2.gz LGUSCYJJRCBEKA-CQSZACIVSA-N 0 0 412.471 4.363 20 5 HIBDRN COCCN(C(=O)c1cc(C)oc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000514620495 922727569 /nfs/dbraw/zinc/72/75/69/922727569.db2.gz YYCGEZWISMDTAX-UHFFFAOYSA-N 0 0 401.444 4.221 20 5 HIBDRN COc1ccccc1OCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000514709586 922771434 /nfs/dbraw/zinc/77/14/34/922771434.db2.gz YFWGFQABRIMMNU-UHFFFAOYSA-N 0 0 407.295 4.143 20 5 HIBDRN CCn1c2ccc(Br)cc2nc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514771673 922796774 /nfs/dbraw/zinc/79/67/74/922796774.db2.gz NJPADTKDDLMTQH-LLVKDONJSA-N 0 0 417.263 4.469 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000514828594 922817027 /nfs/dbraw/zinc/81/70/27/922817027.db2.gz GEQILPRWHMAJPR-CYBMUJFWSA-N 0 0 405.380 4.279 20 5 HIBDRN COc1ccc([C@H](NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000514901778 922839843 /nfs/dbraw/zinc/83/98/43/922839843.db2.gz MHRZJIQYBXPDGG-OAQYLSRUSA-N 0 0 418.515 4.359 20 5 HIBDRN Cc1ccc(C=Cc2nc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)n[nH]2)o1 ZINC000514903381 922840500 /nfs/dbraw/zinc/84/05/00/922840500.db2.gz BKWLQRYLIPRGHS-FPLPWBNLSA-N 0 0 410.415 4.127 20 5 HIBDRN COc1c(NC/C(C)=C\c2cccc([N+](=O)[O-])c2)cc(Cl)cc1C(=O)N(C)C ZINC000514957875 922853635 /nfs/dbraw/zinc/85/36/35/922853635.db2.gz REGCSKGBXDIVLO-JYRVWZFOSA-N 0 0 403.866 4.474 20 5 HIBDRN COc1c(NC/C(C)=C/c2cccc([N+](=O)[O-])c2)cc(Cl)cc1C(=O)N(C)C ZINC000514957877 922854203 /nfs/dbraw/zinc/85/42/03/922854203.db2.gz REGCSKGBXDIVLO-MDWZMJQESA-N 0 0 403.866 4.474 20 5 HIBDRN CCc1onc(-c2ccccc2Cl)c1-c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000515020310 922881270 /nfs/dbraw/zinc/88/12/70/922881270.db2.gz ZBUSQLHFPYEVHP-UHFFFAOYSA-N 0 0 414.809 4.225 20 5 HIBDRN Cc1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n(-c2ccc(Cl)cc2)n1 ZINC000515071500 922893729 /nfs/dbraw/zinc/89/37/29/922893729.db2.gz HXBQWCQURBOMBA-UHFFFAOYSA-N 0 0 422.832 4.180 20 5 HIBDRN CC(C)(C)c1noc(CCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000515077202 922895302 /nfs/dbraw/zinc/89/53/02/922895302.db2.gz VVFPWPZUEICVBH-UHFFFAOYSA-N 0 0 415.475 4.360 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(Cc3ccc(C(F)(F)F)cn3)no2)ccc1N1CCCC1 ZINC000515160076 922960719 /nfs/dbraw/zinc/96/07/19/922960719.db2.gz MSFVHKQEYLYTDC-UHFFFAOYSA-N 0 0 419.363 4.250 20 5 HIBDRN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cnn1-c1ccccc1F ZINC000515216039 922997443 /nfs/dbraw/zinc/99/74/43/922997443.db2.gz JLZXTOUAIDGWNX-UHFFFAOYSA-N 0 0 406.320 4.082 20 5 HIBDRN CCCC(=O)Nc1cccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000515250132 923017097 /nfs/dbraw/zinc/01/70/97/923017097.db2.gz RNJVHGJDYORBTJ-UHFFFAOYSA-N 0 0 409.446 4.179 20 5 HIBDRN CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000515315121 923046271 /nfs/dbraw/zinc/04/62/71/923046271.db2.gz LYMHFTUHDLRDLS-YOEHRIQHSA-N 0 0 417.893 4.500 20 5 HIBDRN CC(=O)N1CCC(C(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)CC1 ZINC000515331634 923056859 /nfs/dbraw/zinc/05/68/59/923056859.db2.gz NAQMETKWAWSFFQ-UHFFFAOYSA-N 0 0 400.482 4.146 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c(F)c1 ZINC000515370430 923068867 /nfs/dbraw/zinc/06/88/67/923068867.db2.gz DPXGMVXABFSHMH-KRWDZBQOSA-N 0 0 410.423 4.002 20 5 HIBDRN CCCN(Cc1ccc(F)cc1)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000515372107 923071174 /nfs/dbraw/zinc/07/11/74/923071174.db2.gz KLIUJFALFAEWGF-UHFFFAOYSA-N 0 0 412.364 4.396 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000515408759 923087470 /nfs/dbraw/zinc/08/74/70/923087470.db2.gz IWEWNIINPMONJV-UHFFFAOYSA-N 0 0 416.865 4.081 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(NCc2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000515607316 923212088 /nfs/dbraw/zinc/21/20/88/923212088.db2.gz INJGVWODHBOLDB-UHFFFAOYSA-N 0 0 421.519 4.025 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1 ZINC000515607516 923212761 /nfs/dbraw/zinc/21/27/61/923212761.db2.gz WKIKOKQXVMZJTB-MRXNPFEDSA-N 0 0 424.501 4.428 20 5 HIBDRN Cc1sc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000515624443 923225531 /nfs/dbraw/zinc/22/55/31/923225531.db2.gz BBLCKTOMDCDHHL-BBATYDOGSA-N 0 0 411.439 4.194 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])n2C)ccc1OCc1ccccc1 ZINC000515690537 923274171 /nfs/dbraw/zinc/27/41/71/923274171.db2.gz YOYZXBVHFUAZFW-OAHLLOKOSA-N 0 0 409.442 4.012 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000515754963 923327617 /nfs/dbraw/zinc/32/76/17/923327617.db2.gz ZYNUCAOMAIKLHM-UHFFFAOYSA-N 0 0 414.405 4.275 20 5 HIBDRN CC(C)C[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccs1 ZINC000515855000 923395143 /nfs/dbraw/zinc/39/51/43/923395143.db2.gz ZTZKRUCXXZRORK-INIZCTEOSA-N 0 0 402.520 4.275 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000515870811 923402001 /nfs/dbraw/zinc/40/20/01/923402001.db2.gz AEHYZZKIRANMBN-HNNXBMFYSA-N 0 0 407.474 4.017 20 5 HIBDRN CC1CCN(C(=O)c2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000515874548 923406601 /nfs/dbraw/zinc/40/66/01/923406601.db2.gz SRAMRZNMTFNINR-UHFFFAOYSA-N 0 0 413.499 4.198 20 5 HIBDRN C[C@H](NC(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1)c1cccc([N+](=O)[O-])c1 ZINC000515908372 923426911 /nfs/dbraw/zinc/42/69/11/923426911.db2.gz NNLGXYJTCAYEBV-HOTGVXAUSA-N 0 0 416.909 4.398 20 5 HIBDRN O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1csc([N+](=O)[O-])c1 ZINC000515936014 923450256 /nfs/dbraw/zinc/45/02/56/923450256.db2.gz DGXDPRLYOIGIOD-UHFFFAOYSA-N 0 0 413.421 4.070 20 5 HIBDRN O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000516130216 923562899 /nfs/dbraw/zinc/56/28/99/923562899.db2.gz IXEAWAATYQZAAN-UHFFFAOYSA-N 0 0 414.381 4.169 20 5 HIBDRN Cc1c(Br)ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1F ZINC000516138430 923567619 /nfs/dbraw/zinc/56/76/19/923567619.db2.gz KVINWPUHVQAIBQ-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN Cc1nc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)sc1Cc1cccc(C)c1 ZINC000516137264 923568163 /nfs/dbraw/zinc/56/81/63/923568163.db2.gz QOSSQTLUJHFFFL-UHFFFAOYSA-N 0 0 407.455 4.388 20 5 HIBDRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000516196513 923593143 /nfs/dbraw/zinc/59/31/43/923593143.db2.gz YORSPLFNGCSVTA-UHFFFAOYSA-N 0 0 402.422 4.021 20 5 HIBDRN CCCC(C)(C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000516251713 923627801 /nfs/dbraw/zinc/62/78/01/923627801.db2.gz WHXGTHUIRFINME-UHFFFAOYSA-N 0 0 407.517 4.441 20 5 HIBDRN CCNc1ccc(C(=O)NCc2ccc3c(c2)nc(CC)n3C2CC2)cc1[N+](=O)[O-] ZINC000516258854 923631546 /nfs/dbraw/zinc/63/15/46/923631546.db2.gz CCHJBXITPVRGGX-UHFFFAOYSA-N 0 0 407.474 4.204 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)COc2cccc(Cl)c2Cl)c2ncccc12 ZINC000516363677 923691868 /nfs/dbraw/zinc/69/18/68/923691868.db2.gz GGZSSHYNZZDSGM-LLVKDONJSA-N 0 0 408.241 4.302 20 5 HIBDRN Cc1sc(NC(=O)C(=O)c2ccc3c(c2)CCC3)nc1-c1cccc([N+](=O)[O-])c1 ZINC000516368757 923697180 /nfs/dbraw/zinc/69/71/80/923697180.db2.gz CZABMGQEHGFVRJ-UHFFFAOYSA-N 0 0 407.451 4.337 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000516494869 923759168 /nfs/dbraw/zinc/75/91/68/923759168.db2.gz XTARAANYAPUGMW-UHFFFAOYSA-N 0 0 420.238 4.292 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3cnn(Cc4ccccc4)c3)cc2[N+](=O)[O-])C1 ZINC000516542294 923787821 /nfs/dbraw/zinc/78/78/21/923787821.db2.gz UIOOGBSLDWQKDQ-KRWDZBQOSA-N 0 0 419.485 4.328 20 5 HIBDRN O=c1[nH]c(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000516658500 923832043 /nfs/dbraw/zinc/83/20/43/923832043.db2.gz 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HIBDRN COc1ccc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c(OC)n1 ZINC000516896329 923933445 /nfs/dbraw/zinc/93/34/45/923933445.db2.gz GRSIHIXXRFHBGI-UHFFFAOYSA-N 0 0 424.413 4.121 20 5 HIBDRN CCCc1ccc(-c2cc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)n(CCO)n2)cc1 ZINC000516903965 923936752 /nfs/dbraw/zinc/93/67/52/923936752.db2.gz UEYOTZLXZIBCOT-INIZCTEOSA-N 0 0 422.485 4.145 20 5 HIBDRN O=[N+]([O-])c1ccc(N2C[C@H]3CN(c4ccccc4)C[C@H]3C2)nc1OCc1ccccc1 ZINC000516944080 923944887 /nfs/dbraw/zinc/94/48/87/923944887.db2.gz VBHIRIWZSDWMLD-BGYRXZFFSA-N 0 0 416.481 4.141 20 5 HIBDRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000517176225 924038689 /nfs/dbraw/zinc/03/86/89/924038689.db2.gz UKIFLNXTWYVBKU-UHFFFAOYSA-N 0 0 416.648 4.152 20 5 HIBDRN COc1ccc2oc([C@H](C)NC(=O)NCc3ccc(OC)c([N+](=O)[O-])c3)c(C)c2c1 ZINC000517335037 924109598 /nfs/dbraw/zinc/10/95/98/924109598.db2.gz FBENZRLYHRWPIH-ZDUSSCGKSA-N 0 0 413.430 4.227 20 5 HIBDRN 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926721162 /nfs/dbraw/zinc/72/11/62/926721162.db2.gz DRPZGAXBXFOUQC-UHFFFAOYSA-N 0 0 400.508 4.135 20 5 HIBDRN C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000517643011 926750852 /nfs/dbraw/zinc/75/08/52/926750852.db2.gz PEUXHEOAZIBJAD-BLLLJJGKSA-N 0 0 407.426 4.370 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000517669239 926774766 /nfs/dbraw/zinc/77/47/66/926774766.db2.gz MSSCOPOOWOMNKZ-UHFFFAOYSA-N 0 0 424.423 4.072 20 5 HIBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000517687255 926791827 /nfs/dbraw/zinc/79/18/27/926791827.db2.gz NTQGJVJSJKYNOF-INIZCTEOSA-N 0 0 408.458 4.242 20 5 HIBDRN O=C(NCCCCCOC1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000517699749 926801742 /nfs/dbraw/zinc/80/17/42/926801742.db2.gz YRCFZBLSSPDTFR-UHFFFAOYSA-N 0 0 400.479 4.030 20 5 HIBDRN CNc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000517786392 926835698 /nfs/dbraw/zinc/83/56/98/926835698.db2.gz 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O=[N+]([O-])c1c(NC[C@@H](O)COc2cccc(Cl)c2Cl)ccc2ncccc21 ZINC000517964185 926907477 /nfs/dbraw/zinc/90/74/77/926907477.db2.gz ULAWUURWPZNYOZ-LLVKDONJSA-N 0 0 408.241 4.302 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000517997642 926939446 /nfs/dbraw/zinc/93/94/46/926939446.db2.gz CPKRYJYBOHBHHL-QHCPKHFHSA-N 0 0 422.506 4.016 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC000518003852 926944195 /nfs/dbraw/zinc/94/41/95/926944195.db2.gz SSGSKOOOZDNNPT-UHFFFAOYSA-N 0 0 403.866 4.427 20 5 HIBDRN COCCOc1cccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000518064749 927002583 /nfs/dbraw/zinc/00/25/83/927002583.db2.gz SOCKKZHVEJJULV-MRXNPFEDSA-N 0 0 413.474 4.109 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC)O[C@@H](C)C2 ZINC000518075712 927007827 /nfs/dbraw/zinc/00/78/27/927007827.db2.gz HZXYXJZOEGWEGY-NUTKFTJISA-N 0 0 412.442 4.068 20 5 HIBDRN COCCc1ccc(Oc2ccc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2)cc1 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O=[N+]([O-])c1ccc(CS(=O)(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000518997820 927681259 /nfs/dbraw/zinc/68/12/59/927681259.db2.gz UCROUEAMQKZWGC-QFIPXVFZSA-N 0 0 408.479 4.072 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000519016844 927696140 /nfs/dbraw/zinc/69/61/40/927696140.db2.gz NLRFCSONEXBHFO-UHFFFAOYSA-N 0 0 402.394 4.213 20 5 HIBDRN COc1cc(OCC(=O)Nc2nc3c(ccc4ccccc34)s2)ccc1[N+](=O)[O-] ZINC000519034848 927711982 /nfs/dbraw/zinc/71/19/82/927711982.db2.gz GYBPAGIZCIEZLF-UHFFFAOYSA-N 0 0 409.423 4.384 20 5 HIBDRN COc1cc(OCC(=O)N2CCC[C@H]2c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000519060239 927738476 /nfs/dbraw/zinc/73/84/76/927738476.db2.gz POZUVUHTIOCUAZ-FQEVSTJZSA-N 0 0 406.438 4.499 20 5 HIBDRN O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000519073845 927750783 /nfs/dbraw/zinc/75/07/83/927750783.db2.gz LEJQPYIQHCDBLU-CYBMUJFWSA-N 0 0 423.450 4.305 20 5 HIBDRN Cc1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1Br ZINC000519108843 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Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000521533373 929280188 /nfs/dbraw/zinc/28/01/88/929280188.db2.gz GKGUAZZCHJCLPY-UHFFFAOYSA-N 0 0 403.438 4.497 20 5 HIBDRN COc1cc(C(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)c([N+](=O)[O-])cc1OC(F)F ZINC000521567560 929301670 /nfs/dbraw/zinc/30/16/70/929301670.db2.gz SVNRFWVVHNLHJT-UHFFFAOYSA-N 0 0 424.385 4.217 20 5 HIBDRN CSc1ccc(C(=O)NCCOc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000521595997 929317816 /nfs/dbraw/zinc/31/78/16/929317816.db2.gz VLVIRTZVKMQTLW-UHFFFAOYSA-N 0 0 400.378 4.144 20 5 HIBDRN CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000521645631 929341306 /nfs/dbraw/zinc/34/13/06/929341306.db2.gz MVKUHWHOWZUHCS-UHFFFAOYSA-N 0 0 404.430 4.165 20 5 HIBDRN Cc1c(C(=O)NCC2CCC(c3ccccc3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000521713504 929383168 /nfs/dbraw/zinc/38/31/68/929383168.db2.gz VUKXUADVKGCSKE-UHFFFAOYSA-N 0 0 419.485 4.188 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c1 ZINC000521858001 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ZINC000541832553 939644572 /nfs/dbraw/zinc/64/45/72/939644572.db2.gz LKTDYZJBXFOSDD-FQEVSTJZSA-N 0 0 422.416 4.105 20 5 HIBDRN CN(C)c1nccc(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)n1 ZINC000541852611 939647196 /nfs/dbraw/zinc/64/71/96/939647196.db2.gz FYIDABSDVYONIP-UHFFFAOYSA-N 0 0 413.865 4.186 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)CC)c1 ZINC000541863944 939647815 /nfs/dbraw/zinc/64/78/15/939647815.db2.gz GGPKZGPHLGGVQK-UHFFFAOYSA-N 0 0 401.488 4.375 20 5 HIBDRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)COc1ccc([N+](=O)[O-])c3cccnc13)[C@H]2C ZINC000541951884 939660966 /nfs/dbraw/zinc/66/09/66/939660966.db2.gz NVKIPXLBFRQIPM-CABCVRRESA-N 0 0 421.453 4.065 20 5 HIBDRN CC(C)n1c(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)nc2ccccc21 ZINC000541963438 939663750 /nfs/dbraw/zinc/66/37/50/939663750.db2.gz YDJHOZGKHWFFTD-UHFFFAOYSA-N 0 0 404.373 4.057 20 5 HIBDRN COc1ccc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1[N+](=O)[O-] ZINC000541999158 939675641 /nfs/dbraw/zinc/67/56/41/939675641.db2.gz 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COc1ccc(-n2ccnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000542217783 939761485 /nfs/dbraw/zinc/76/14/85/939761485.db2.gz KWZOUSPWWSIFHN-UHFFFAOYSA-N 0 0 412.471 4.137 20 5 HIBDRN Cc1nnc(-c2cccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])c2)n1C ZINC000542224691 939764163 /nfs/dbraw/zinc/76/41/63/939764163.db2.gz OTWJQKPUFXJXIX-UHFFFAOYSA-N 0 0 417.878 4.083 20 5 HIBDRN COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3Br)CCC2)cc1 ZINC000542297225 939789482 /nfs/dbraw/zinc/78/94/82/939789482.db2.gz WBSUJAKXJSSZLI-UHFFFAOYSA-N 0 0 419.275 4.218 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000542313852 939796788 /nfs/dbraw/zinc/79/67/88/939796788.db2.gz GKFNOYWRAPWTEY-SFHVURJKSA-N 0 0 405.241 4.004 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1c(C)cc(C)cc1Br ZINC000542390833 939812838 /nfs/dbraw/zinc/81/28/38/939812838.db2.gz QNGHPMWJDKBUNA-UHFFFAOYSA-N 0 0 408.252 4.304 20 5 HIBDRN COc1cc2[nH]c(CCCNc3ncnc4cccc([N+](=O)[O-])c43)cc2c(OC)c1 ZINC000542505412 939834079 /nfs/dbraw/zinc/83/40/79/939834079.db2.gz GUMUUUYKCXUHEW-UHFFFAOYSA-N 0 0 407.430 4.081 20 5 HIBDRN Cc1c(Br)c(NCc2nnc(-c3ccccc3)s2)ncc1[N+](=O)[O-] ZINC000542506751 939834286 /nfs/dbraw/zinc/83/42/86/939834286.db2.gz PUOWGPCNAQZPMR-UHFFFAOYSA-N 0 0 406.265 4.191 20 5 HIBDRN COc1ccccc1N1CCC(Nc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000542508249 939834518 /nfs/dbraw/zinc/83/45/18/939834518.db2.gz YROYFMHZYPTWLL-UHFFFAOYSA-N 0 0 421.295 4.150 20 5 HIBDRN Cc1ccc(I)c(Oc2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC000542508358 939834655 /nfs/dbraw/zinc/83/46/55/939834655.db2.gz YVMJDPLMPALOBR-UHFFFAOYSA-N 0 0 407.167 4.243 20 5 HIBDRN C[C@@H](C(=O)NCc1ccc(COCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542515005 939835550 /nfs/dbraw/zinc/83/55/50/939835550.db2.gz PTZHJJUKAKCICN-GFCCVEGCSA-N 0 0 414.355 4.233 20 5 HIBDRN Cc1c(Br)c(N[C@@H](c2nccn2C)c2ccccc2F)ncc1[N+](=O)[O-] ZINC000542519073 939836374 /nfs/dbraw/zinc/83/63/74/939836374.db2.gz HVSLTXPYEBAREZ-OAHLLOKOSA-N 0 0 420.242 4.135 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1Sc1nccn1C)c1ccc([N+](=O)[O-])cc1F ZINC000542530151 939838312 /nfs/dbraw/zinc/83/83/12/939838312.db2.gz BXXVCSYSMXSITF-LBPRGKRZSA-N 0 0 400.435 4.361 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000542535262 939839555 /nfs/dbraw/zinc/83/95/55/939839555.db2.gz KBWHKWSDXJDDOP-BOUXLOLZSA-N 0 0 401.438 4.323 20 5 HIBDRN COc1ccc(OC)c(CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C2CC2)c1 ZINC000542537654 939840014 /nfs/dbraw/zinc/84/00/14/939840014.db2.gz FISCUNRIQBKGSJ-ZDUSSCGKSA-N 0 0 402.422 4.046 20 5 HIBDRN Cc1c([C@H](C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cnn1-c1ccc(F)cc1 ZINC000542541475 939840897 /nfs/dbraw/zinc/84/08/97/939840897.db2.gz SDKPLUHKQDGVKP-STQMWFEESA-N 0 0 414.412 4.348 20 5 HIBDRN Cc1ccc(Oc2ccccc2NC(=O)CN2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000542549269 939841974 /nfs/dbraw/zinc/84/19/74/939841974.db2.gz FLJREFMKQQNCGZ-UHFFFAOYSA-N 0 0 418.453 4.087 20 5 HIBDRN 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Cc1ccnn1-c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543225081 940000776 /nfs/dbraw/zinc/00/07/76/940000776.db2.gz MKHASXMTYBJKNE-CYBMUJFWSA-N 0 0 400.822 4.148 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H]2c2ccc(Br)s2)ccc1[N+](=O)[O-] ZINC000543228292 940001750 /nfs/dbraw/zinc/00/17/50/940001750.db2.gz QEBNDNZUYCLIPE-LBPRGKRZSA-N 0 0 411.277 4.405 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1c(C)cc(Br)cc1C ZINC000543278482 940015925 /nfs/dbraw/zinc/01/59/25/940015925.db2.gz XOKWLOZSDCCGFR-UHFFFAOYSA-N 0 0 408.252 4.304 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ncn(C4CCCCC4)n3)cc2[N+](=O)[O-])C1 ZINC000543300781 940021791 /nfs/dbraw/zinc/02/17/91/940021791.db2.gz MRPYZFHTKMLUKF-HNNXBMFYSA-N 0 0 412.494 4.180 20 5 HIBDRN CCc1ccc([C@H](NCc2cccc(-n3cncn3)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403624 940052702 /nfs/dbraw/zinc/05/27/02/940052702.db2.gz IDECNMIYQSOUNG-JOCHJYFZSA-N 0 0 403.442 4.210 20 5 HIBDRN CCc1ccc([C@@H](NCCNC(=O)c2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543425140 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4.079 20 5 HIBDRN Cc1ccc(Cc2nnc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)s2)cc1 ZINC000543480339 940078252 /nfs/dbraw/zinc/07/82/52/940078252.db2.gz KMAKCNOXOQLYAR-GFCCVEGCSA-N 0 0 400.435 4.227 20 5 HIBDRN O=C(c1cc(N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000543482052 940078668 /nfs/dbraw/zinc/07/86/68/940078668.db2.gz QPSBWPMPCRQUBS-WIYYLYMNSA-N 0 0 413.449 4.302 20 5 HIBDRN CC[C@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nc(C)cs1 ZINC000543488856 940081216 /nfs/dbraw/zinc/08/12/16/940081216.db2.gz XUQAWESPKRJCSX-AWEZNQCLSA-N 0 0 417.516 4.163 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCc3ccc(Cl)c(C)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000543502130 940087208 /nfs/dbraw/zinc/08/72/08/940087208.db2.gz LLFLUPUGDQJTGI-UHFFFAOYSA-N 0 0 412.877 4.348 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)cc1 ZINC000543547577 940103798 /nfs/dbraw/zinc/10/37/98/940103798.db2.gz YRUXXOJZHYTWMF-ZDUSSCGKSA-N 0 0 420.429 4.108 20 5 HIBDRN 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COCC(=O)Nc1ccc(-c2noc([C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000545594283 940576388 /nfs/dbraw/zinc/57/63/88/940576388.db2.gz VDOJGELADPDACH-LBPRGKRZSA-N 0 0 414.443 4.083 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(-c3nc(Cc4nc5ccccc5n4C(F)F)no3)c2c1 ZINC000545620054 940577660 /nfs/dbraw/zinc/57/76/60/940577660.db2.gz ACZJGISOZUNEQV-UHFFFAOYSA-N 0 0 410.340 4.462 20 5 HIBDRN NC(=O)c1ccc(Cc2noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 ZINC000545627121 940577945 /nfs/dbraw/zinc/57/79/45/940577945.db2.gz BIOPTGLAEXOACT-UHFFFAOYSA-N 0 0 415.409 4.078 20 5 HIBDRN Cc1cc(=O)c(-c2nc(CCC3CCCCC3)no2)nn1-c1ccccc1[N+](=O)[O-] ZINC000545633974 940578278 /nfs/dbraw/zinc/57/82/78/940578278.db2.gz VTXOVHWLQJJZPP-UHFFFAOYSA-N 0 0 409.446 4.012 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(OCC(F)(F)F)c3)no2)c(Cl)c1 ZINC000545664561 940579590 /nfs/dbraw/zinc/57/95/90/940579590.db2.gz HBFJSRQYUKYJIM-UHFFFAOYSA-N 0 0 400.700 4.301 20 5 HIBDRN O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc(-c2ccnc(OCC(F)(F)F)c2)no1 ZINC000545668214 940579780 /nfs/dbraw/zinc/57/97/80/940579780.db2.gz RSWMKUARIYRHHQ-DUXPYHPUSA-N 0 0 410.283 4.290 20 5 HIBDRN Cc1nn(C)c(-c2nc(-c3ccnc(Oc4ccccc4Cl)c3)no2)c1[N+](=O)[O-] ZINC000545707945 940581758 /nfs/dbraw/zinc/58/17/58/940581758.db2.gz GKNWQIDHEJZGCO-UHFFFAOYSA-N 0 0 412.793 4.194 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(-c3nc(-c4ccc5nccnc5c4)no3)cc2[N+](=O)[O-])C1 ZINC000545718601 940582180 /nfs/dbraw/zinc/58/21/80/940582180.db2.gz OCQWIQBIEIFXOM-CQSZACIVSA-N 0 0 416.441 4.491 20 5 HIBDRN C[C@H](c1nc(CN(C(=O)c2ccccc2)C2CC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000545726537 940582539 /nfs/dbraw/zinc/58/25/39/940582539.db2.gz DXQFRYAWQSREQY-ZDUSSCGKSA-N 0 0 410.405 4.074 20 5 HIBDRN CC1CCN(c2ccc(-c3nc(-c4ccc5[nH]c(=O)[nH]c5c4)no3)cc2[N+](=O)[O-])CC1 ZINC000545751860 940583818 /nfs/dbraw/zinc/58/38/18/940583818.db2.gz LVLHKESKAUDONY-UHFFFAOYSA-N 0 0 420.429 4.130 20 5 HIBDRN Cc1ccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)c(N2CCOCC2)c1 ZINC000545763889 940584523 /nfs/dbraw/zinc/58/45/23/940584523.db2.gz WSRKMDZEGNHSCV-UHFFFAOYSA-N 0 0 400.822 4.110 20 5 HIBDRN O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(-c4cnn5cccnc45)n3)cc2)c1 ZINC000545765757 940584641 /nfs/dbraw/zinc/58/46/41/940584641.db2.gz YEROKQCOCYKBAA-UHFFFAOYSA-N 0 0 400.354 4.147 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(CCc3nc4cc(Cl)ccc4s3)n2)nc1 ZINC000545776553 940585100 /nfs/dbraw/zinc/58/51/00/940585100.db2.gz COHGXBXVRLUFIC-UHFFFAOYSA-N 0 0 401.835 4.012 20 5 HIBDRN Cc1c(Cc2noc(CCn3c4ccccc4nc3C3CC3)n2)cccc1[N+](=O)[O-] ZINC000545777400 940585163 /nfs/dbraw/zinc/58/51/63/940585163.db2.gz WEXRIGFVSWYWTF-UHFFFAOYSA-N 0 0 403.442 4.347 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4CCCN4Cc4ccccc4)n3)c2c1 ZINC000545782522 940590207 /nfs/dbraw/zinc/59/02/07/940590207.db2.gz WCJUXHDULYZDPD-HXUWFJFHSA-N 0 0 403.442 4.387 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4CCCN4Cc4ccccc4)n3)c2c1 ZINC000545782521 940590226 /nfs/dbraw/zinc/59/02/26/940590226.db2.gz WCJUXHDULYZDPD-FQEVSTJZSA-N 0 0 403.442 4.387 20 5 HIBDRN CO[C@@H](c1noc(Cc2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1 ZINC000545813585 940608444 /nfs/dbraw/zinc/60/84/44/940608444.db2.gz MAEXTAMZYGVCBD-MRXNPFEDSA-N 0 0 404.220 4.067 20 5 HIBDRN Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)n1Cc1ccncc1 ZINC000545842551 940627760 /nfs/dbraw/zinc/62/77/60/940627760.db2.gz AUUMAYVUFAINKD-UHFFFAOYSA-N 0 0 404.470 4.261 20 5 HIBDRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000563984861 945335819 /nfs/dbraw/zinc/33/58/19/945335819.db2.gz YZMDAKHHDNIKMO-CYBMUJFWSA-N 0 0 423.282 4.376 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(CCc4nc5ccccc5s4)n3)c2c1 ZINC000545855024 940639047 /nfs/dbraw/zinc/63/90/47/940639047.db2.gz OPTXEJVJLGASSU-UHFFFAOYSA-N 0 0 405.439 4.445 20 5 HIBDRN C[C@@](O)(C1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000545929290 940659790 /nfs/dbraw/zinc/65/97/90/940659790.db2.gz VRXGATGZAHBIAA-HXUWFJFHSA-N 0 0 422.403 4.356 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000545959925 940665923 /nfs/dbraw/zinc/66/59/23/940665923.db2.gz UUFZGFLFKJVDLF-UHFFFAOYSA-N 0 0 416.821 4.268 20 5 HIBDRN Cc1c(Br)c(NCc2nc3ccccc3n2C2CC2)ncc1[N+](=O)[O-] ZINC000546053103 940683287 /nfs/dbraw/zinc/68/32/87/940683287.db2.gz GKUZJULKNDVBSE-UHFFFAOYSA-N 0 0 402.252 4.357 20 5 HIBDRN C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC000546071375 940690644 /nfs/dbraw/zinc/69/06/44/940690644.db2.gz UEERAYSWRYIWFN-OLZOCXBDSA-N 0 0 416.421 4.225 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000546092245 940698146 /nfs/dbraw/zinc/69/81/46/940698146.db2.gz DAFYWIUKOFJVPK-NRFANRHFSA-N 0 0 419.485 4.342 20 5 HIBDRN CN(CC1(O)CCC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000546116300 940703924 /nfs/dbraw/zinc/70/39/24/940703924.db2.gz YMSFTHOFLYKPLO-UHFFFAOYSA-N 0 0 406.891 4.386 20 5 HIBDRN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)c1ncc([N+](=O)[O-])cn1 ZINC000546187884 940725001 /nfs/dbraw/zinc/72/50/01/940725001.db2.gz COESEXJDRVTZKF-UHFFFAOYSA-N 0 0 400.460 4.060 20 5 HIBDRN CCCc1c(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cnn1-c1cc(C)ccn1 ZINC000546197704 940727218 /nfs/dbraw/zinc/72/72/18/940727218.db2.gz BVGLKRYMHCUJDL-UHFFFAOYSA-N 0 0 411.487 4.411 20 5 HIBDRN Cc1ccc(NC(=O)CS[C@@H](C)c2nc(Cc3ccccc3[N+](=O)[O-])no2)cc1 ZINC000546241218 940742191 /nfs/dbraw/zinc/74/21/91/940742191.db2.gz ABDSZLXEHFQDJK-AWEZNQCLSA-N 0 0 412.471 4.310 20 5 HIBDRN CC(=O)Nc1ccccc1-c1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000546249887 940748583 /nfs/dbraw/zinc/74/85/83/940748583.db2.gz ACVWPPAKVHFCIU-SNVBAGLBSA-N 0 0 402.794 4.397 20 5 HIBDRN COc1cccc(/C=C/c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1OC(F)F ZINC000546257048 940750476 /nfs/dbraw/zinc/75/04/76/940750476.db2.gz KBILFQAJVYPJDA-SOFGYWHQSA-N 0 0 404.329 4.007 20 5 HIBDRN O=C1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CN1c1cc(Cl)cc(Cl)c1 ZINC000546261179 940751851 /nfs/dbraw/zinc/75/18/51/940751851.db2.gz GOUSSTYVJIDVGZ-LLVKDONJSA-N 0 0 419.224 4.472 20 5 HIBDRN CC(=O)N[C@H](Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1)c1ccc(Cl)cc1 ZINC000546277058 940758879 /nfs/dbraw/zinc/75/88/79/940758879.db2.gz RTBWQRWIUIJVSI-MRXNPFEDSA-N 0 0 400.822 4.027 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(Cc3nc4cc(Cl)ccc4s3)no2)cc1 ZINC000546303017 940772916 /nfs/dbraw/zinc/77/29/16/940772916.db2.gz ASINIUCGVGENAY-UHFFFAOYSA-N 0 0 402.819 4.411 20 5 HIBDRN CSCc1ccc(-c2noc(-c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)n2)cc1 ZINC000546355327 940800475 /nfs/dbraw/zinc/80/04/75/940800475.db2.gz PUJIEKJTMKNORM-UHFFFAOYSA-N 0 0 408.443 4.064 20 5 HIBDRN COc1ccc(Cc2noc(Cc3cccc([N+](=O)[O-])c3C)n2)c(Cl)c1OC ZINC000546369963 940803775 /nfs/dbraw/zinc/80/37/75/940803775.db2.gz WIFITUVFCJSMEV-UHFFFAOYSA-N 0 0 403.822 4.138 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3N3CCCC3)no2)c(Br)c1 ZINC000546375792 940804809 /nfs/dbraw/zinc/80/48/09/940804809.db2.gz ZWMMFBZJIPJETE-UHFFFAOYSA-N 0 0 416.235 4.070 20 5 HIBDRN Cc1noc2nc(C(C)C)cc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)c12 ZINC000546377109 940805232 /nfs/dbraw/zinc/80/52/32/940805232.db2.gz LJINIHZIBRZZBX-UHFFFAOYSA-N 0 0 408.418 4.267 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(COc2ccccc2C(F)(F)F)n1 ZINC000546378907 940805906 /nfs/dbraw/zinc/80/59/06/940805906.db2.gz ZQWYNBFYJCUOCE-UHFFFAOYSA-N 0 0 408.336 4.230 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(Cc2c[nH]c3cc(F)ccc23)no1 ZINC000546386502 940807705 /nfs/dbraw/zinc/80/77/05/940807705.db2.gz ZOWUUXNGYNDVSP-UHFFFAOYSA-N 0 0 416.796 4.464 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3cccc(-n4cccn4)c3)no2)ccc1N1CCCC1 ZINC000546404268 940812380 /nfs/dbraw/zinc/81/23/80/940812380.db2.gz TYGRRVJGPYFVSM-UHFFFAOYSA-N 0 0 402.414 4.098 20 5 HIBDRN Cc1nc2ccc(-c3noc(-c4nnn(-c5cccc([N+](=O)[O-])c5)c4C)n3)cc2s1 ZINC000546446306 940822053 /nfs/dbraw/zinc/82/20/53/940822053.db2.gz BPWBJDPNXYBWOW-UHFFFAOYSA-N 0 0 419.426 4.119 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc(Br)cc3C)n2)ccc1[N+](=O)[O-] ZINC000546468557 940828188 /nfs/dbraw/zinc/82/81/88/940828188.db2.gz LFIVQRHWNOELME-UHFFFAOYSA-N 0 0 404.220 4.315 20 5 HIBDRN Cc1nn(C)c(-c2nc(-c3ccc(Oc4cccc(N(C)C)c4)cc3)no2)c1[N+](=O)[O-] ZINC000546472124 940829730 /nfs/dbraw/zinc/82/97/30/940829730.db2.gz BQGVABXXAAFECY-UHFFFAOYSA-N 0 0 420.429 4.212 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(Cn3c4ccccc4nc3C3CCCCC3)n2)nc1 ZINC000546485854 940832922 /nfs/dbraw/zinc/83/29/22/940832922.db2.gz VCKMHXCODIVFQH-UHFFFAOYSA-N 0 0 418.457 4.409 20 5 HIBDRN Cc1c(Cc2noc(-c3cc4sc(N(C)C)nc4s3)n2)cccc1[N+](=O)[O-] ZINC000546490957 940834912 /nfs/dbraw/zinc/83/49/12/940834912.db2.gz QSFOYPAIWQAIST-UHFFFAOYSA-N 0 0 401.473 4.281 20 5 HIBDRN CC1=NN(c2ccc(-c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)cc2)CC1 ZINC000546490685 940835015 /nfs/dbraw/zinc/83/50/15/940835015.db2.gz NOOSWBPELJZRFX-UHFFFAOYSA-N 0 0 402.414 4.303 20 5 HIBDRN Cc1c(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)nnn1-c1cccc(Cl)c1 ZINC000546492654 940835609 /nfs/dbraw/zinc/83/56/09/940835609.db2.gz TYOSOYXIRRFDES-UHFFFAOYSA-N 0 0 410.821 4.087 20 5 HIBDRN COc1cc(Cc2noc(CCC(=O)c3ccc4c(c3)CCCC4)n2)ccc1[N+](=O)[O-] ZINC000546495048 940836378 /nfs/dbraw/zinc/83/63/78/940836378.db2.gz IYEJJGZRRHWJQU-UHFFFAOYSA-N 0 0 421.453 4.272 20 5 HIBDRN CO[C@@H](c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1)c1ccccc1Cl ZINC000546519983 940841881 /nfs/dbraw/zinc/84/18/81/940841881.db2.gz IYLUDTCLQIWJAO-GOSISDBHSA-N 0 0 402.838 4.412 20 5 HIBDRN CC(C)(C)OCCOc1cccc(-c2noc(CCc3cccc([N+](=O)[O-])c3)n2)n1 ZINC000546523267 940842726 /nfs/dbraw/zinc/84/27/26/940842726.db2.gz HMGMTLWYCHUHPG-UHFFFAOYSA-N 0 0 412.446 4.019 20 5 HIBDRN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000546536133 940846764 /nfs/dbraw/zinc/84/67/64/940846764.db2.gz NLFAMQJQOFHLDS-GOSISDBHSA-N 0 0 401.466 4.424 20 5 HIBDRN COc1ccc(CCc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1Cl ZINC000546558162 940852195 /nfs/dbraw/zinc/85/21/95/940852195.db2.gz FVJYNJYKRSPVMA-UHFFFAOYSA-N 0 0 412.833 4.497 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(CN3CCOCC3)cc2)no1 ZINC000546610903 940860985 /nfs/dbraw/zinc/86/09/85/940860985.db2.gz FGJJEKASQHAROO-LJQANCHMSA-N 0 0 422.485 4.213 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000546666075 940867206 /nfs/dbraw/zinc/86/72/06/940867206.db2.gz HPERMUXPJJCETN-UHFFFAOYSA-N 0 0 418.247 4.419 20 5 HIBDRN Cc1ccc(C(=O)CCCCC(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000546861853 940897224 /nfs/dbraw/zinc/89/72/24/940897224.db2.gz REHNXHHCOBYSMA-UHFFFAOYSA-N 0 0 407.430 4.070 20 5 HIBDRN O=[N+]([O-])c1cnc(Sc2nnc(Cc3cccs3)n2CCc2ccccc2)nc1 ZINC000546898839 940905276 /nfs/dbraw/zinc/90/52/76/940905276.db2.gz HPNFWVMHAKTWPY-UHFFFAOYSA-N 0 0 424.511 4.023 20 5 HIBDRN CCOc1c(Cl)cc(-c2noc(CCc3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000546944125 940921452 /nfs/dbraw/zinc/92/14/52/940921452.db2.gz LQGBXSISWWUFLN-UHFFFAOYSA-N 0 0 403.822 4.491 20 5 HIBDRN COc1cc(Br)c(Cc2noc(-c3ccccc3[N+](=O)[O-])n2)cc1OC ZINC000546956878 940927269 /nfs/dbraw/zinc/92/72/69/940927269.db2.gz SAIPTKMYBMFJGL-UHFFFAOYSA-N 0 0 420.219 4.015 20 5 HIBDRN Cc1ccc(-c2noc([C@H]3CCCN(c4ncnc5sccc54)C3)n2)cc1[N+](=O)[O-] ZINC000546983395 940937762 /nfs/dbraw/zinc/93/77/62/940937762.db2.gz ADZRDEMAPLCBQC-AWEZNQCLSA-N 0 0 422.470 4.342 20 5 HIBDRN Cc1nnc(SCc2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)n1Cc1ccccc1 ZINC000546986592 940940783 /nfs/dbraw/zinc/94/07/83/940940783.db2.gz JTOIMVXRKLFITI-UHFFFAOYSA-N 0 0 422.470 4.194 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 ZINC000546993876 940946867 /nfs/dbraw/zinc/94/68/67/940946867.db2.gz HEYBCUCTVNOKMB-UHFFFAOYSA-N 0 0 421.257 4.236 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(Cc3ccc(C(F)(F)F)cn3)no2)ccc1NC1CC1 ZINC000547009112 940954614 /nfs/dbraw/zinc/95/46/14/940954614.db2.gz HPYBMDFUDBUFLC-UHFFFAOYSA-N 0 0 405.336 4.224 20 5 HIBDRN O=c1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000547023171 940961685 /nfs/dbraw/zinc/96/16/85/940961685.db2.gz JARUNDCSFUKHBP-UHFFFAOYSA-N 0 0 418.287 4.464 20 5 HIBDRN CCOc1ccc(Br)cc1-c1noc(-c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000547043737 940972338 /nfs/dbraw/zinc/97/23/38/940972338.db2.gz ANGXSPYSBKVQOZ-UHFFFAOYSA-N 0 0 420.219 4.482 20 5 HIBDRN COCc1cccc(-c2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)c1 ZINC000547049116 940974015 /nfs/dbraw/zinc/97/40/15/940974015.db2.gz ZOWYYLKKRMLEHM-UHFFFAOYSA-N 0 0 419.441 4.320 20 5 HIBDRN CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)c1 ZINC000547050900 940975040 /nfs/dbraw/zinc/97/50/40/940975040.db2.gz VDHKBIVRMHRFPG-UHFFFAOYSA-N 0 0 401.810 4.495 20 5 HIBDRN COc1ccc(Cc2noc(CCc3cccc([N+](=O)[O-])c3)n2)c(Cl)c1OC ZINC000547061594 940979169 /nfs/dbraw/zinc/97/91/69/940979169.db2.gz BLSWICGDQXJLOQ-UHFFFAOYSA-N 0 0 403.822 4.024 20 5 HIBDRN Cc1c[nH]c(=O)n1-c1cccc(-c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)c1 ZINC000547064120 940980780 /nfs/dbraw/zinc/98/07/80/940980780.db2.gz CKTKICYIAVZAGK-UHFFFAOYSA-N 0 0 411.805 4.089 20 5 HIBDRN COc1ccc(Cc2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1OC(F)F ZINC000547070067 940983096 /nfs/dbraw/zinc/98/30/96/940983096.db2.gz AZFQWCHHLDWRSG-UHFFFAOYSA-N 0 0 411.748 4.499 20 5 HIBDRN O=[N+]([O-])c1cccc(-n2ccc(-c3nc(Cc4c[nH]c5cc(F)ccc45)no3)n2)c1 ZINC000547091671 940992264 /nfs/dbraw/zinc/99/22/64/940992264.db2.gz KYQJIWCCTGKDNK-UHFFFAOYSA-N 0 0 404.361 4.042 20 5 HIBDRN Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc([N+](=O)[O-])cc4C)no3)C2)cc1 ZINC000547105000 940997156 /nfs/dbraw/zinc/99/71/56/940997156.db2.gz YXRLJBURSYQOIO-QGZVFWFLSA-N 0 0 406.442 4.281 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3cccc(-n4cccn4)c3)no2)c1 ZINC000547108369 940999714 /nfs/dbraw/zinc/99/97/14/940999714.db2.gz CNNKDFBJFBZLSR-UHFFFAOYSA-N 0 0 412.203 4.260 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc([C@@H]3CCCO3)no2)cc1 ZINC000547182095 941024332 /nfs/dbraw/zinc/02/43/32/941024332.db2.gz ZPKFVDYUYNFDQS-IBGZPJMESA-N 0 0 417.425 4.273 20 5 HIBDRN Cn1c(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc2cc(C(F)(F)F)ccc21 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4.167 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000548511878 941111809 /nfs/dbraw/zinc/11/18/09/941111809.db2.gz UYZWJALGUDYBEF-AWEZNQCLSA-N 0 0 419.306 4.299 20 5 HIBDRN CSc1cccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1[N+](=O)[O-] ZINC000548605803 941114304 /nfs/dbraw/zinc/11/43/04/941114304.db2.gz QNENNJYKRRVMOJ-UHFFFAOYSA-N 0 0 405.439 4.279 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000548628774 941116349 /nfs/dbraw/zinc/11/63/49/941116349.db2.gz PBUFOMOZCBGUSH-KZULUSFZSA-N 0 0 416.384 4.058 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1[N+](=O)[O-])c1ccccn1 ZINC000548758208 941122742 /nfs/dbraw/zinc/12/27/42/941122742.db2.gz WDPWXBJGIKJRGH-NSHDSACASA-N 0 0 410.459 4.144 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000548773965 941123425 /nfs/dbraw/zinc/12/34/25/941123425.db2.gz YKILXRUVRQJWNC-HNNXBMFYSA-N 0 0 416.499 4.443 20 5 HIBDRN 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COC(=O)c1cnc(Oc2cc(F)c(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000549255951 941174624 /nfs/dbraw/zinc/17/46/24/941174624.db2.gz BQCJAPPIEJQYKK-UHFFFAOYSA-N 0 0 405.563 4.124 20 5 HIBDRN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000549329690 941180569 /nfs/dbraw/zinc/18/05/69/941180569.db2.gz XVDLROAYSGPTCI-LQDVMPOASA-N 0 0 420.922 4.011 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2nnc(-c3ccc(Br)cc3)[nH]2)c(Cl)c1 ZINC000549378153 941184087 /nfs/dbraw/zinc/18/40/87/941184087.db2.gz RPKKBOOPPCMRMI-UHFFFAOYSA-N 0 0 408.643 4.408 20 5 HIBDRN CC(C)Cn1c(CCOc2ccccc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000549441435 941190221 /nfs/dbraw/zinc/19/02/21/941190221.db2.gz YDKSQCFXFLNOQI-UHFFFAOYSA-N 0 0 409.490 4.100 20 5 HIBDRN Cc1occc1C(=O)NC1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000549489246 941195622 /nfs/dbraw/zinc/19/56/22/941195622.db2.gz SCFJJUSZUWVIIQ-UHFFFAOYSA-N 0 0 411.380 4.222 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000549526702 941198103 /nfs/dbraw/zinc/19/81/03/941198103.db2.gz BRIFFJQGOUQOEK-SFTDATJTSA-N 0 0 413.477 4.398 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)c1 ZINC000549549242 941199072 /nfs/dbraw/zinc/19/90/72/941199072.db2.gz OQOOGNZDISYMMO-UHFFFAOYSA-N 0 0 405.794 4.381 20 5 HIBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(-n2cccn2)c(F)c1 ZINC000549582713 941200356 /nfs/dbraw/zinc/20/03/56/941200356.db2.gz OGAITTCCNQWMJS-SNVBAGLBSA-N 0 0 406.215 4.250 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Br)c1Cl ZINC000549586825 941200490 /nfs/dbraw/zinc/20/04/90/941200490.db2.gz MAJKGEINXBPXRH-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN CC(C)C[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)C1 ZINC000549600151 941200927 /nfs/dbraw/zinc/20/09/27/941200927.db2.gz ZXRHMOJEGQPNEN-ZWKOTPCHSA-N 0 0 413.522 4.152 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3C[C@@]4(CCCO4)[C@H]3C3CC3)c([N+](=O)[O-])c2)cc1 ZINC000549684603 941204414 /nfs/dbraw/zinc/20/44/14/941204414.db2.gz ZXELMOJCYASRFV-GGAORHGYSA-N 0 0 407.470 4.303 20 5 HIBDRN NC(=O)c1ccc(CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C2CC2)c(F)c1 ZINC000549718165 941205562 /nfs/dbraw/zinc/20/55/62/941205562.db2.gz YRMPMPFAULADLE-UHFFFAOYSA-N 0 0 411.355 4.016 20 5 HIBDRN CCN(Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1)C(C)=O ZINC000549741572 941206184 /nfs/dbraw/zinc/20/61/84/941206184.db2.gz OYZQCMABTKHDPG-UHFFFAOYSA-N 0 0 409.364 4.234 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CC2CCCCC2)n1C[C@@H]1CCCO1 ZINC000549855596 941216668 /nfs/dbraw/zinc/21/66/68/941216668.db2.gz NHEORZLGQDPQLS-IBGZPJMESA-N 0 0 413.522 4.125 20 5 HIBDRN C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)CC12CCC2 ZINC000549857716 941218432 /nfs/dbraw/zinc/21/84/32/941218432.db2.gz PQRAKKJKVYUURR-APWZRJJASA-N 0 0 411.506 4.049 20 5 HIBDRN CN(CCCc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000549891176 941230231 /nfs/dbraw/zinc/23/02/31/941230231.db2.gz CTCONKGXOFFZGN-NRFANRHFSA-N 0 0 421.501 4.101 20 5 HIBDRN CCC[C@@]1(C)CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)C1 ZINC000550050059 941274291 /nfs/dbraw/zinc/27/42/91/941274291.db2.gz SKWUAAVCDRSUBR-JTSKRJEESA-N 0 0 413.522 4.296 20 5 HIBDRN CC(C)C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCCO2)C1 ZINC000550053632 941274534 /nfs/dbraw/zinc/27/45/34/941274534.db2.gz KPJXUQWTXBDHLB-PXNSSMCTSA-N 0 0 413.522 4.295 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000550111817 941286233 /nfs/dbraw/zinc/28/62/33/941286233.db2.gz DQULNBKYGWVRGO-SGTLLEGYSA-N 0 0 424.284 4.302 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000550175760 941293630 /nfs/dbraw/zinc/29/36/30/941293630.db2.gz KNMCGNZDAYELJC-ZJSXRUAMSA-N 0 0 423.465 4.458 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(OC2CCCC2)CC1 ZINC000550188913 941296083 /nfs/dbraw/zinc/29/60/83/941296083.db2.gz OEZFEPGCWHMMQH-UHFFFAOYSA-N 0 0 411.296 4.230 20 5 HIBDRN 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4.011 20 5 HIBDRN CCOC(=O)c1c(Cn2cnc([N+](=O)[O-])c2)nc2ccccc2c1-c1ccccc1 ZINC000551060240 941402402 /nfs/dbraw/zinc/40/24/02/941402402.db2.gz GUGWKDFHOXMDBD-UHFFFAOYSA-N 0 0 402.410 4.232 20 5 HIBDRN COc1ccc(CNc2nc3c(cccc3Cl)n2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000551091730 941408528 /nfs/dbraw/zinc/40/85/28/941408528.db2.gz WVNBRAJHLHPQIH-UHFFFAOYSA-N 0 0 414.771 4.781 20 5 HIBDRN Cn1cc(C(=O)NCCCCc2ccc(Cl)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000551337121 941455489 /nfs/dbraw/zinc/45/54/89/941455489.db2.gz XQOYKRZYNTXZMB-UHFFFAOYSA-N 0 0 418.906 4.463 20 5 HIBDRN CN(CCC(F)(F)F)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000551341373 941456988 /nfs/dbraw/zinc/45/69/88/941456988.db2.gz WAFNWSNWDRGWKF-ZDUSSCGKSA-N 0 0 419.787 4.197 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000551500221 941490732 /nfs/dbraw/zinc/49/07/32/941490732.db2.gz FMHMCCHKFASDDC-SFHVURJKSA-N 0 0 409.486 4.141 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000551696277 941528201 /nfs/dbraw/zinc/52/82/01/941528201.db2.gz DNRRBSVSIVFFIH-UHFFFAOYSA-N 0 0 417.462 4.020 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCCCSc2ccccc2)cc1[N+](=O)[O-] ZINC000551711163 941530788 /nfs/dbraw/zinc/53/07/88/941530788.db2.gz KOAGOUMBQUUKPU-UHFFFAOYSA-N 0 0 415.515 4.129 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000551765284 941541039 /nfs/dbraw/zinc/54/10/39/941541039.db2.gz LKNYYJSHFJYPML-UHFFFAOYSA-N 0 0 407.373 4.071 20 5 HIBDRN Cn1ccnc1[C@H](NCc1ccc(Oc2ccccc2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000552048247 941573972 /nfs/dbraw/zinc/57/39/72/941573972.db2.gz LXXFGFJEEZDSIX-JOCHJYFZSA-N 0 0 415.453 4.395 20 5 HIBDRN COc1ccncc1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000552060768 941576417 /nfs/dbraw/zinc/57/64/17/941576417.db2.gz IPFKWNAUYQNMDS-UHFFFAOYSA-N 0 0 418.247 4.311 20 5 HIBDRN C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000552062222 941576924 /nfs/dbraw/zinc/57/69/24/941576924.db2.gz QANGMRYHIWLLSA-LIRRHRJNSA-N 0 0 400.866 4.128 20 5 HIBDRN O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C2 ZINC000552099132 941584726 /nfs/dbraw/zinc/58/47/26/941584726.db2.gz BVINFMGJYGWVIA-UHFFFAOYSA-N 0 0 420.796 4.014 20 5 HIBDRN CC(C)(C(=O)NC[C@H](NCc1ccccc1)c1ccco1)c1ccccc1[N+](=O)[O-] ZINC000552110483 941586962 /nfs/dbraw/zinc/58/69/62/941586962.db2.gz POGFJRQEAHKYEU-IBGZPJMESA-N 0 0 407.470 4.113 20 5 HIBDRN Cn1ccnc1[C@H](NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552252788 941614489 /nfs/dbraw/zinc/61/44/89/941614489.db2.gz XSCZTQDSPCBWNS-CEMLEFRQSA-N 0 0 406.486 4.175 20 5 HIBDRN Cn1ccnc1[C@H](NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552252791 941614522 /nfs/dbraw/zinc/61/45/22/941614522.db2.gz XSCZTQDSPCBWNS-NNWRFLSQSA-N 0 0 406.486 4.175 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](c2ccncc2)C1 ZINC000552252442 941614660 /nfs/dbraw/zinc/61/46/60/941614660.db2.gz NWGTZRFOXATHTK-OAHLLOKOSA-N 0 0 422.407 4.217 20 5 HIBDRN CCOc1cc(Cl)ccc1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552276199 941620493 /nfs/dbraw/zinc/62/04/93/941620493.db2.gz OQWZUQWLXMJAQI-LJQANCHMSA-N 0 0 400.866 4.260 20 5 HIBDRN Cc1ccc(Br)cc1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552283135 941622021 /nfs/dbraw/zinc/62/20/21/941622021.db2.gz ZGXWXOQGWUNDIY-SFHVURJKSA-N 0 0 415.291 4.278 20 5 HIBDRN COc1cc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000552423221 941666508 /nfs/dbraw/zinc/66/65/08/941666508.db2.gz YFJSUYOGLZLCKQ-DNQXCXABSA-N 0 0 424.497 4.326 20 5 HIBDRN Cc1ccc([C@H](C)NCc2cn(-c3ccccc3Br)nn2)cc1[N+](=O)[O-] ZINC000552564119 941708011 /nfs/dbraw/zinc/70/80/11/941708011.db2.gz RPXPAADUUZSYFT-ZDUSSCGKSA-N 0 0 416.279 4.097 20 5 HIBDRN COCCC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccc(Cl)cc1 ZINC000552580814 941712433 /nfs/dbraw/zinc/71/24/33/941712433.db2.gz VSMPSOMVZFMANM-INIZCTEOSA-N 0 0 406.866 4.197 20 5 HIBDRN 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Cc1c(C(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cccc1[N+](=O)[O-] ZINC000553348309 941870889 /nfs/dbraw/zinc/87/08/89/941870889.db2.gz RGFMIPZKSBXBLQ-IBGZPJMESA-N 0 0 408.376 4.054 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000553372910 941875193 /nfs/dbraw/zinc/87/51/93/941875193.db2.gz IGARCEMOHWSIPV-OTNCWRBYSA-N 0 0 424.500 4.326 20 5 HIBDRN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553381588 941876927 /nfs/dbraw/zinc/87/69/27/941876927.db2.gz YRVUZQUMCFUYQJ-UGSOOPFHSA-N 0 0 408.376 4.145 20 5 HIBDRN C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000553423498 941882407 /nfs/dbraw/zinc/88/24/07/941882407.db2.gz PMSDVRQDZJZHTF-ZDUSSCGKSA-N 0 0 413.380 4.338 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000553422943 941882585 /nfs/dbraw/zinc/88/25/85/941882585.db2.gz SIGOQSYZXNJFPG-WBMJQRKESA-N 0 0 416.524 4.029 20 5 HIBDRN NC(=O)c1cccc(NCCc2csc(-c3ccc(Cl)cc3)n2)c1[N+](=O)[O-] ZINC000553504163 941897940 /nfs/dbraw/zinc/89/79/40/941897940.db2.gz JTJSHKJXJCIXCJ-UHFFFAOYSA-N 0 0 402.863 4.125 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000553550440 941906910 /nfs/dbraw/zinc/90/69/10/941906910.db2.gz CZWVMAAEYPVRDH-ZDUSSCGKSA-N 0 0 416.421 4.006 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CC[C@](F)(c3cc(F)cc(F)c3)C2)c(Br)c1 ZINC000553591736 941915457 /nfs/dbraw/zinc/91/54/57/941915457.db2.gz QLFLOJFFRIUDNZ-OAHLLOKOSA-N 0 0 402.170 4.106 20 5 HIBDRN C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000553648773 941932706 /nfs/dbraw/zinc/93/27/06/941932706.db2.gz NNRTZXZPNMMEHU-LBPRGKRZSA-N 0 0 411.355 4.104 20 5 HIBDRN C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@@H]1OCCc2sccc21 ZINC000553858933 941985062 /nfs/dbraw/zinc/98/50/62/941985062.db2.gz QRDPKGBTXGRGPT-XMHCIUCPSA-N 0 0 404.491 4.175 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1[N+](=O)[O-] ZINC000554130778 942044140 /nfs/dbraw/zinc/04/41/40/942044140.db2.gz SSDORPKKSGZDAU-SECBINFHSA-N 0 0 419.894 4.457 20 5 HIBDRN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000554163676 942053706 /nfs/dbraw/zinc/05/37/06/942053706.db2.gz RIAYTONUEKEXDH-FQEVSTJZSA-N 0 0 407.426 4.007 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000554164898 942054289 /nfs/dbraw/zinc/05/42/89/942054289.db2.gz RUPVVKAACPZDJK-GFCCVEGCSA-N 0 0 400.822 4.055 20 5 HIBDRN C[C@H]1c2nnc(C3CCCC3)n2CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000554303883 942096984 /nfs/dbraw/zinc/09/69/84/942096984.db2.gz FSZFXOAMHHREIT-HNNXBMFYSA-N 0 0 422.489 4.118 20 5 HIBDRN CNc1c(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000554337376 942107388 /nfs/dbraw/zinc/10/73/88/942107388.db2.gz UHWIBXAKKCWLLL-UHFFFAOYSA-N 0 0 405.336 4.093 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000554367170 942115981 /nfs/dbraw/zinc/11/59/81/942115981.db2.gz SYVBVWNTSHACHH-LBPRGKRZSA-N 0 0 401.271 4.080 20 5 HIBDRN CCCN(CC1CCCCC1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000554415047 942132923 /nfs/dbraw/zinc/13/29/23/942132923.db2.gz SVQXAFRNIPOUNQ-MRXNPFEDSA-N 0 0 407.536 4.080 20 5 HIBDRN CN(C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000554477273 942156035 /nfs/dbraw/zinc/15/60/35/942156035.db2.gz OWWLJQUHUCKQSA-UHFFFAOYSA-N 0 0 424.370 4.245 20 5 HIBDRN C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000554654432 942188557 /nfs/dbraw/zinc/18/85/57/942188557.db2.gz WNHXLQLVCXZYBD-JTQLQIEISA-N 0 0 421.276 4.096 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C)CC2)c(C)c1 ZINC000554654156 942188812 /nfs/dbraw/zinc/18/88/12/942188812.db2.gz DDALXRLZFVHAAP-UHFFFAOYSA-N 0 0 419.485 4.106 20 5 HIBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000554675680 942195233 /nfs/dbraw/zinc/19/52/33/942195233.db2.gz NRQNPJIXFZMMAT-GOSISDBHSA-N 0 0 405.248 4.138 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc(F)cc(Br)c1F ZINC000554748652 942219788 /nfs/dbraw/zinc/21/97/88/942219788.db2.gz CJCPQPKEQLEBGQ-UHFFFAOYSA-N 0 0 407.117 4.095 20 5 HIBDRN C[C@@H](c1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1)c1cccc([N+](=O)[O-])c1 ZINC000554816286 942258059 /nfs/dbraw/zinc/25/80/59/942258059.db2.gz JXFJDKORUWUJEN-GFCCVEGCSA-N 0 0 411.368 4.184 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000554835035 942273643 /nfs/dbraw/zinc/27/36/43/942273643.db2.gz MMWYQCGNYLIHTF-UHFFFAOYSA-N 0 0 403.482 4.299 20 5 HIBDRN Cc1ccc(Cc2ccccn2)cc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000554841631 942279657 /nfs/dbraw/zinc/27/96/57/942279657.db2.gz KUEGZNPXOXHBSY-UHFFFAOYSA-N 0 0 414.421 4.395 20 5 HIBDRN COc1ccc(OCc2nc(CN(C)CCc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000554845623 942283729 /nfs/dbraw/zinc/28/37/29/942283729.db2.gz COAROYXCFXZKFS-UHFFFAOYSA-N 0 0 413.499 4.313 20 5 HIBDRN Cc1nn(CCc2nc([C@@H](c3ccc(Cl)cc3)C(C)C)no2)c(C)c1[N+](=O)[O-] ZINC000554844960 942284028 /nfs/dbraw/zinc/28/40/28/942284028.db2.gz TWLMHLUJLQPPGB-QGZVFWFLSA-N 0 0 403.870 4.475 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1 ZINC000554870520 942301848 /nfs/dbraw/zinc/30/18/48/942301848.db2.gz BVGOWFKHLZMBHS-UHFFFAOYSA-N 0 0 411.458 4.052 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)c1 ZINC000554941098 942326294 /nfs/dbraw/zinc/32/62/94/942326294.db2.gz DWUUKNCZJAJDBI-GOEBONIOSA-N 0 0 405.248 4.042 20 5 HIBDRN COc1cc(C(=O)N2CCc3cc(Cl)cc(Br)c32)ccc1[N+](=O)[O-] ZINC000554944148 942327878 /nfs/dbraw/zinc/32/78/78/942327878.db2.gz KSFYKJIDFIMMPT-UHFFFAOYSA-N 0 0 411.639 4.222 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)c1 ZINC000554971240 942338568 /nfs/dbraw/zinc/33/85/68/942338568.db2.gz OIWNLIFIOIXRFV-GDBMZVCRSA-N 0 0 405.248 4.042 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000554975250 942339763 /nfs/dbraw/zinc/33/97/63/942339763.db2.gz IXYSKQNDGIDTOO-SFHVURJKSA-N 0 0 410.396 4.248 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555038697 942366500 /nfs/dbraw/zinc/36/65/00/942366500.db2.gz NBZJMQQUBITTTM-NSHDSACASA-N 0 0 410.352 4.368 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000555039766 942366974 /nfs/dbraw/zinc/36/69/74/942366974.db2.gz ITGCMPBIZQPICP-UHFFFAOYSA-N 0 0 418.453 4.033 20 5 HIBDRN O=C(COc1ccc(Cl)cc1C(F)(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000555043551 942368559 /nfs/dbraw/zinc/36/85/59/942368559.db2.gz VJLKNYSTTMYXLT-UHFFFAOYSA-N 0 0 418.711 4.013 20 5 HIBDRN COc1ccc(-c2ccc(C)c(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000555052031 942371499 /nfs/dbraw/zinc/37/14/99/942371499.db2.gz WVUWAGKVHHCJHC-UHFFFAOYSA-N 0 0 406.442 4.338 20 5 HIBDRN COc1ccc(OC)c(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)c1 ZINC000555079196 942379499 /nfs/dbraw/zinc/37/94/99/942379499.db2.gz XDJCPJJGIHWTTP-UHFFFAOYSA-N 0 0 413.433 4.270 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2ncc(Cc3cccc(C)c3Cl)s2)c1[N+](=O)[O-] ZINC000555102550 942386232 /nfs/dbraw/zinc/38/62/32/942386232.db2.gz BLTZSLVJVNOQHG-UHFFFAOYSA-N 0 0 405.867 4.142 20 5 HIBDRN Cc1cc(C)cc(-n2nc(-c3ccco3)cc2NC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000555178333 942418902 /nfs/dbraw/zinc/41/89/02/942418902.db2.gz CHPUPXSXSLCFCM-UHFFFAOYSA-N 0 0 405.414 4.248 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000555208385 942432432 /nfs/dbraw/zinc/43/24/32/942432432.db2.gz PQKWHZPFXISNGU-OAHLLOKOSA-N 0 0 423.448 4.329 20 5 HIBDRN COc1ccc(CCN(CC(C)C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000555312152 942472131 /nfs/dbraw/zinc/47/21/31/942472131.db2.gz YILSHIYUYKZLPI-KRWDZBQOSA-N 0 0 414.502 4.443 20 5 HIBDRN O=C(Nc1cccc2c1OCCO2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000556196029 942816984 /nfs/dbraw/zinc/81/69/84/942816984.db2.gz OSXDYSDIKNEGTE-UHFFFAOYSA-N 0 0 405.410 4.230 20 5 HIBDRN Cn1cc(Br)c(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000556216316 942819647 /nfs/dbraw/zinc/81/96/47/942819647.db2.gz RIJQELMSIIYQTC-UHFFFAOYSA-N 0 0 417.219 4.135 20 5 HIBDRN C[C@H](c1cccc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1)N1CCOCC1 ZINC000556277588 942831228 /nfs/dbraw/zinc/83/12/28/942831228.db2.gz FTQJWBPWVSJCEG-MRXNPFEDSA-N 0 0 408.458 4.255 20 5 HIBDRN Cc1nc2c(cccc2-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)[nH]1 ZINC000556324705 942841264 /nfs/dbraw/zinc/84/12/64/942841264.db2.gz IKEWTRPMSKXLDC-UHFFFAOYSA-N 0 0 407.433 4.438 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000556446368 942869384 /nfs/dbraw/zinc/86/93/84/942869384.db2.gz SCCVJNOONAQWJN-UHFFFAOYSA-N 0 0 416.890 4.414 20 5 HIBDRN C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556469650 942877343 /nfs/dbraw/zinc/87/73/43/942877343.db2.gz YNHATSPJLITJDP-SNVBAGLBSA-N 0 0 409.211 4.344 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000556509155 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UCZUYJJLRMKMGD-UHFFFAOYSA-N 0 0 424.269 4.101 20 5 HIBDRN Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000015328292 846035804 /nfs/dbraw/zinc/03/58/04/846035804.db2.gz KNQZNKWZMHMFFW-UHFFFAOYSA-N 0 0 406.641 4.087 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000436329391 861633834 /nfs/dbraw/zinc/63/38/34/861633834.db2.gz BRWWRWHBAQSCOP-VIFPVBQESA-N 0 0 409.290 4.065 20 5 HIBDRN O=C(CN(Cc1ccccc1F)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000015522263 846058698 /nfs/dbraw/zinc/05/86/98/846058698.db2.gz YEVHOJATQYWTDK-UHFFFAOYSA-N 0 0 422.254 4.100 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2[N+](=O)[O-])cc1 ZINC000015567177 846064053 /nfs/dbraw/zinc/06/40/53/846064053.db2.gz LYPWGVYTXZIEAN-UHFFFAOYSA-N 0 0 420.450 4.476 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000015587001 846067309 /nfs/dbraw/zinc/06/73/09/846067309.db2.gz RZZUADSLYZEKRA-INIZCTEOSA-N 0 0 401.831 4.314 20 5 HIBDRN COc1cc(CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C2CC2)ccc1OC(F)F ZINC000015616290 846073933 /nfs/dbraw/zinc/07/39/33/846073933.db2.gz BMGVCZHMQGMAAF-UHFFFAOYSA-N 0 0 406.385 4.318 20 5 HIBDRN C[C@H]1CC(=O)c2c1c(F)ccc2OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015635514 846076794 /nfs/dbraw/zinc/07/67/94/846076794.db2.gz DHGZSWVNKXJHTK-ZDUSSCGKSA-N 0 0 412.417 4.246 20 5 HIBDRN O=C(CCSc1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000015924636 846104054 /nfs/dbraw/zinc/10/40/54/846104054.db2.gz SVHZYQGEHJNSPG-UHFFFAOYSA-N 0 0 405.907 4.079 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC ZINC000016054196 846116087 /nfs/dbraw/zinc/11/60/87/846116087.db2.gz IVJZEHIMLDFVKL-JTQLQIEISA-N 0 0 419.484 4.341 20 5 HIBDRN CC(C)(C)c1ccc(-c2nnc(SCc3ccc(C(N)=O)cc3[N+](=O)[O-])o2)cc1 ZINC000016133007 846127746 /nfs/dbraw/zinc/12/77/46/846127746.db2.gz RKVWILOAUVTJCG-UHFFFAOYSA-N 0 0 412.471 4.334 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000016147480 846130650 /nfs/dbraw/zinc/13/06/50/846130650.db2.gz UBBUMTNAUGQGIW-UHFFFAOYSA-N 0 0 411.650 4.364 20 5 HIBDRN Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016166557 846132653 /nfs/dbraw/zinc/13/26/53/846132653.db2.gz DQUHJWJURFWGKH-OAHLLOKOSA-N 0 0 405.410 4.149 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(Br)cc2)c1 ZINC000016196026 846137431 /nfs/dbraw/zinc/13/74/31/846137431.db2.gz URRZRRISISNWCF-UHFFFAOYSA-N 0 0 410.245 4.119 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000016196439 846137614 /nfs/dbraw/zinc/13/76/14/846137614.db2.gz OGDPHGIAQKBEOZ-UHFFFAOYSA-N 0 0 408.863 4.382 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000016262328 846144496 /nfs/dbraw/zinc/14/44/96/846144496.db2.gz DZHQBIXCYHOBNH-KRWDZBQOSA-N 0 0 416.890 4.223 20 5 HIBDRN O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000016300770 846149055 /nfs/dbraw/zinc/14/90/55/846149055.db2.gz CYTWBSLFIOSPPG-ZDUSSCGKSA-N 0 0 411.252 4.463 20 5 HIBDRN O=C(NCc1ccccc1)c1nnc(/C(Cl)=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000016331372 846155838 /nfs/dbraw/zinc/15/58/38/846155838.db2.gz GMRJVQFSPFSOBV-GDNBJRDFSA-N 0 0 400.847 4.113 20 5 HIBDRN CCCOc1ccc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1OC ZINC000016387034 846163269 /nfs/dbraw/zinc/16/32/69/846163269.db2.gz SIXCTVDCWKZDHV-RVDMUPIBSA-N 0 0 407.426 4.046 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ccc(F)c(Br)c1 ZINC000016387070 846163466 /nfs/dbraw/zinc/16/34/66/846163466.db2.gz MPNXMEXRNNEFRS-XFFZJAGNSA-N 0 0 416.206 4.151 20 5 HIBDRN CCn1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC000016402612 846166118 /nfs/dbraw/zinc/16/61/18/846166118.db2.gz NJZISNIIWXDZOP-UHFFFAOYSA-N 0 0 401.806 4.018 20 5 HIBDRN CC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)c1 ZINC000016458644 846174379 /nfs/dbraw/zinc/17/43/79/846174379.db2.gz JIYXZZNLGWZJTE-UHFFFAOYSA-N 0 0 404.422 4.406 20 5 HIBDRN CCOc1ccc(NC(=O)COC(=O)c2occc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000016537399 846180879 /nfs/dbraw/zinc/18/08/79/846180879.db2.gz WZYWVNKDEQRSIH-UHFFFAOYSA-N 0 0 410.382 4.049 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)OCc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000016562255 846184583 /nfs/dbraw/zinc/18/45/83/846184583.db2.gz JFJMOVVGAAKYBO-UHFFFAOYSA-N 0 0 402.472 4.189 20 5 HIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000016611692 846189914 /nfs/dbraw/zinc/18/99/14/846189914.db2.gz LUTLZRVLDDBPPA-QJXUFPCYSA-N 0 0 422.416 4.203 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc(OCc2csc(C)n2)c1 ZINC000016708397 846198984 /nfs/dbraw/zinc/19/89/84/846198984.db2.gz WDSPIKRKMCPZKX-UHFFFAOYSA-N 0 0 400.412 4.167 20 5 HIBDRN NC(=O)c1ccc(COC(=O)c2c(Cl)ccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000016758377 846207139 /nfs/dbraw/zinc/20/71/39/846207139.db2.gz BDENGVLJPZDPBV-UHFFFAOYSA-N 0 0 403.605 4.011 20 5 HIBDRN COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000016814463 846213348 /nfs/dbraw/zinc/21/33/48/846213348.db2.gz NZEDYUNTHYHDKT-OAQYLSRUSA-N 0 0 420.421 4.449 20 5 HIBDRN Cc1ccc([C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)N2CCCC2)o1 ZINC000436340752 861652244 /nfs/dbraw/zinc/65/22/44/861652244.db2.gz UZBSDMKGYRFRGY-JOCHJYFZSA-N 0 0 415.493 4.150 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 ZINC000016927397 846220681 /nfs/dbraw/zinc/22/06/81/846220681.db2.gz MOQWDLYKNQYKLK-GFCCVEGCSA-N 0 0 421.247 4.158 20 5 HIBDRN C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017279583 846240956 /nfs/dbraw/zinc/24/09/56/846240956.db2.gz AAWZETBLLHPHHC-VIFPVBQESA-N 0 0 407.883 4.171 20 5 HIBDRN Cc1ccc([C@H](NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000017482818 846254563 /nfs/dbraw/zinc/25/45/63/846254563.db2.gz ZKFIMFLNNAYORM-FQEVSTJZSA-N 0 0 410.451 4.027 20 5 HIBDRN Cc1ccc([C@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c2cccs2)cc1 ZINC000017483999 846255789 /nfs/dbraw/zinc/25/57/89/846255789.db2.gz BNUBOVCVIYEBAA-FQEVSTJZSA-N 0 0 410.451 4.027 20 5 HIBDRN Cc1cc(Cl)ccc1OCC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017528928 846257628 /nfs/dbraw/zinc/25/76/28/846257628.db2.gz PKTXGKOJLUYPTC-LBPRGKRZSA-N 0 0 417.805 4.290 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)COc2cc(F)ccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000017534147 846258759 /nfs/dbraw/zinc/25/87/59/846258759.db2.gz XWJFHPOMVBSBCM-HXUWFJFHSA-N 0 0 400.431 4.388 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000017586655 846259617 /nfs/dbraw/zinc/25/96/17/846259617.db2.gz AGPJGWHRQQEFSM-AWEZNQCLSA-N 0 0 408.863 4.004 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Br)s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017668993 846263507 /nfs/dbraw/zinc/26/35/07/846263507.db2.gz UHJYDKFOQNXGCX-QMMMGPOBSA-N 0 0 424.232 4.387 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(OC(F)(F)F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017717524 846265668 /nfs/dbraw/zinc/26/56/68/846265668.db2.gz RHUNJPZSVWOYCE-SNVBAGLBSA-N 0 0 423.303 4.461 20 5 HIBDRN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436345275 861657971 /nfs/dbraw/zinc/65/79/71/861657971.db2.gz MJKQUFDMWDSDBG-FQEVSTJZSA-N 0 0 420.415 4.440 20 5 HIBDRN O=C(COC(=O)c1csc(-c2ccccc2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017984063 846282364 /nfs/dbraw/zinc/28/23/64/846282364.db2.gz DKODRGCAQUOTCN-UHFFFAOYSA-N 0 0 417.830 4.167 20 5 HIBDRN O=C(CCN1C(=O)COc2ccccc21)OCc1nc2ccccc2c2ccccc12 ZINC000017990223 846283384 /nfs/dbraw/zinc/28/33/84/846283384.db2.gz RWFDOMYAVVVFSC-UHFFFAOYSA-N 0 0 412.445 4.247 20 5 HIBDRN COc1ccc2cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000018019606 846285418 /nfs/dbraw/zinc/28/54/18/846285418.db2.gz FABBIPZROPLWAS-XANQCZFBSA-N 0 0 420.421 4.340 20 5 HIBDRN CC(C)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2n1 ZINC000018024434 846286288 /nfs/dbraw/zinc/28/62/88/846286288.db2.gz PICGSNIGRJRRPE-CQSZACIVSA-N 0 0 407.426 4.450 20 5 HIBDRN O=C(N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)C12CC3CC(CC(C3)C1)C2 ZINC000018042678 846288207 /nfs/dbraw/zinc/28/82/07/846288207.db2.gz GYZYQDJWEPWTLB-UHFFFAOYSA-N 0 0 403.910 4.113 20 5 HIBDRN CN(Cc1ccc(Br)s1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000018107737 846296652 /nfs/dbraw/zinc/29/66/52/846296652.db2.gz BKYGMOUXJLYSNR-UHFFFAOYSA-N 0 0 424.320 4.291 20 5 HIBDRN COc1ccc(C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 ZINC000018109883 846297573 /nfs/dbraw/zinc/29/75/73/846297573.db2.gz PNLSFURMQQZIHD-QFIPXVFZSA-N 0 0 406.438 4.326 20 5 HIBDRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)Nc1ccc(O)cc1 ZINC000018259933 846318260 /nfs/dbraw/zinc/31/82/60/846318260.db2.gz JTCKFEWIPZBHQF-UHFFFAOYSA-N 0 0 424.434 4.247 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000018463569 846328155 /nfs/dbraw/zinc/32/81/55/846328155.db2.gz JEYZZEBFWOLCFN-LLVKDONJSA-N 0 0 400.412 4.002 20 5 HIBDRN C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)NCc1ccc(F)cc1 ZINC000018591171 846333185 /nfs/dbraw/zinc/33/31/85/846333185.db2.gz YTEFDZVBWSESTK-AWEZNQCLSA-N 0 0 421.497 4.023 20 5 HIBDRN CC(C)CNc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000018663815 846336489 /nfs/dbraw/zinc/33/64/89/846336489.db2.gz JLDUQDWKRRSPQT-SECBINFHSA-N 0 0 415.928 4.287 20 5 HIBDRN Cc1ccc(Nc2nnc(Sc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])s2)cc1 ZINC000018900866 846344794 /nfs/dbraw/zinc/34/47/94/846344794.db2.gz HUQMPQLQIWBIRI-UHFFFAOYSA-N 0 0 422.513 4.053 20 5 HIBDRN O=C(COC(=O)c1csc(-c2cccs2)n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000019258921 846360693 /nfs/dbraw/zinc/36/06/93/846360693.db2.gz NNEHLAYDSWGXHJ-UHFFFAOYSA-N 0 0 423.859 4.229 20 5 HIBDRN C[C@@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000019264155 846360895 /nfs/dbraw/zinc/36/08/95/846360895.db2.gz UGPWUUBNSMLERT-SECBINFHSA-N 0 0 421.431 4.103 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000019284487 846361405 /nfs/dbraw/zinc/36/14/05/846361405.db2.gz OQNNZMBUIGLWPR-UHFFFAOYSA-N 0 0 422.393 4.191 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3nc4c(s3)CCCC4)cc2)c(C)c1[N+](=O)[O-] ZINC000019682268 846373116 /nfs/dbraw/zinc/37/31/16/846373116.db2.gz CYHGGUCZRAQPHC-UHFFFAOYSA-N 0 0 411.487 4.044 20 5 HIBDRN O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020856280 846391145 /nfs/dbraw/zinc/39/11/45/846391145.db2.gz HKZRNFUXCQYGTP-UHFFFAOYSA-N 0 0 415.254 4.176 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000020889014 846393101 /nfs/dbraw/zinc/39/31/01/846393101.db2.gz XOMURWIHCHGZMQ-CYBMUJFWSA-N 0 0 421.453 4.305 20 5 HIBDRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1C ZINC000021187160 846415290 /nfs/dbraw/zinc/41/52/90/846415290.db2.gz KCVNEGUHFDTGLE-QGZVFWFLSA-N 0 0 416.890 4.022 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cccc4cnccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000021218380 846418292 /nfs/dbraw/zinc/41/82/92/846418292.db2.gz BTKFYEOVBRVHIV-UHFFFAOYSA-N 0 0 401.426 4.257 20 5 HIBDRN C[C@@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000021231749 846419557 /nfs/dbraw/zinc/41/95/57/846419557.db2.gz INHVJOHHXVNGJS-CQSZACIVSA-N 0 0 416.389 4.313 20 5 HIBDRN COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000021492214 846453156 /nfs/dbraw/zinc/45/31/56/846453156.db2.gz CRPXOLTXXNNMJN-GFCCVEGCSA-N 0 0 416.434 4.048 20 5 HIBDRN C[C@H](OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000021671665 846480810 /nfs/dbraw/zinc/48/08/10/846480810.db2.gz FYZVZMNHVVAKSH-AWEZNQCLSA-N 0 0 416.389 4.313 20 5 HIBDRN C[C@H](OC(=O)Cc1c(Cl)cccc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021678674 846481908 /nfs/dbraw/zinc/48/19/08/846481908.db2.gz GGEXHEPTAKZKQL-VIFPVBQESA-N 0 0 415.204 4.154 20 5 HIBDRN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000021740948 846489735 /nfs/dbraw/zinc/48/97/35/846489735.db2.gz FWYRUOYLBHKCSM-INIZCTEOSA-N 0 0 416.499 4.056 20 5 HIBDRN O=C(COC(=O)c1sccc1-c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000021922681 846511669 /nfs/dbraw/zinc/51/16/69/846511669.db2.gz IYAXXVKYGOFWSK-UHFFFAOYSA-N 0 0 408.435 4.069 20 5 HIBDRN COc1cc(-c2noc(COc3ccc(C)cc3[N+](=O)[O-])n2)ccc1OC(F)F ZINC000022052454 846525658 /nfs/dbraw/zinc/52/56/58/846525658.db2.gz CTERCASHYDWWLI-UHFFFAOYSA-N 0 0 407.329 4.142 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 ZINC000022080662 846528806 /nfs/dbraw/zinc/52/88/06/846528806.db2.gz SISOFHWUANVETK-SECBINFHSA-N 0 0 412.623 4.439 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(F)cc2N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000022133049 846534614 /nfs/dbraw/zinc/53/46/14/846534614.db2.gz GERPBMRMDGOEFB-HXUWFJFHSA-N 0 0 423.400 4.161 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccccc1F)C1CC1 ZINC000022138096 846535883 /nfs/dbraw/zinc/53/58/83/846535883.db2.gz RTMBJEUPJWBYTO-UHFFFAOYSA-N 0 0 400.453 4.485 20 5 HIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000022161724 846538703 /nfs/dbraw/zinc/53/87/03/846538703.db2.gz JSDAWZOQJHQSGI-VXGBXAGGSA-N 0 0 422.890 4.393 20 5 HIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000022162138 846538780 /nfs/dbraw/zinc/53/87/80/846538780.db2.gz FLJKUZCLZDUAHT-LBPRGKRZSA-N 0 0 411.439 4.049 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(Nc2cccc(F)c2)s1 ZINC000022171260 846540628 /nfs/dbraw/zinc/54/06/28/846540628.db2.gz XNOHIDYBPPBXGF-UHFFFAOYSA-N 0 0 419.463 4.368 20 5 HIBDRN Cn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2cc3ccccc3cc2c1=O ZINC000022252797 846550298 /nfs/dbraw/zinc/55/02/98/846550298.db2.gz DUSUADDPTISZIX-UHFFFAOYSA-N 0 0 423.925 4.149 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nc2cc3ccccc3cc2c(=O)n1C ZINC000022254011 846551282 /nfs/dbraw/zinc/55/12/82/846551282.db2.gz ZLVXYBLSHBWJCR-UHFFFAOYSA-N 0 0 407.451 4.296 20 5 HIBDRN C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000022471185 846575382 /nfs/dbraw/zinc/57/53/82/846575382.db2.gz ORUFGVUVNPIDDB-INIZCTEOSA-N 0 0 404.422 4.370 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022527278 846582808 /nfs/dbraw/zinc/58/28/08/846582808.db2.gz GQZZWUWLNXEYKA-CXSBNTHRSA-N 0 0 414.461 4.387 20 5 HIBDRN Cc1noc2ncc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cc12 ZINC000436361584 861694763 /nfs/dbraw/zinc/69/47/63/861694763.db2.gz KRIHOTSLOLVJDR-UHFFFAOYSA-N 0 0 406.348 4.056 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000022556031 846586538 /nfs/dbraw/zinc/58/65/38/846586538.db2.gz LQPDRCQJQDDYIF-MRXNPFEDSA-N 0 0 420.849 4.008 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000022690996 846603834 /nfs/dbraw/zinc/60/38/34/846603834.db2.gz JAGODFVRVVHUGG-UHFFFAOYSA-N 0 0 422.416 4.345 20 5 HIBDRN Cc1cccc(Oc2ccc(NC(=O)COC(=O)c3ccccc3[N+](=O)[O-])cc2)c1 ZINC000022702610 846607179 /nfs/dbraw/zinc/60/71/79/846607179.db2.gz IWLIFTCAOCCBEG-UHFFFAOYSA-N 0 0 406.394 4.491 20 5 HIBDRN Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000022736569 846612420 /nfs/dbraw/zinc/61/24/20/846612420.db2.gz PKRCIZHDKBCRGN-CVEARBPZSA-N 0 0 406.438 4.479 20 5 HIBDRN NC(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000022813412 846623629 /nfs/dbraw/zinc/62/36/29/846623629.db2.gz NJADDMJTWVPPLM-UHFFFAOYSA-N 0 0 413.437 4.159 20 5 HIBDRN Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1Cc1ccco1 ZINC000022837244 846627589 /nfs/dbraw/zinc/62/75/89/846627589.db2.gz OOBQBPQBFWSGHO-CYBMUJFWSA-N 0 0 402.428 4.144 20 5 HIBDRN COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000022907487 846636494 /nfs/dbraw/zinc/63/64/94/846636494.db2.gz JCIPBEJZGIWREQ-SECBINFHSA-N 0 0 413.213 4.094 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000022984272 846644043 /nfs/dbraw/zinc/64/40/43/846644043.db2.gz KCOMFFQPDUMRJR-UHFFFAOYSA-N 0 0 411.414 4.229 20 5 HIBDRN COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000023050817 846653187 /nfs/dbraw/zinc/65/31/87/846653187.db2.gz JZMLKANIDLCRPD-UHFFFAOYSA-N 0 0 418.862 4.173 20 5 HIBDRN Cc1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1-c1cc(C)ccc1C ZINC000023155321 846664864 /nfs/dbraw/zinc/66/48/64/846664864.db2.gz SGHSUCWZNZCILB-UHFFFAOYSA-N 0 0 411.487 4.140 20 5 HIBDRN Cc1ccccc1N1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000023439564 846701885 /nfs/dbraw/zinc/70/18/85/846701885.db2.gz QNAHEWLICLEIPX-UHFFFAOYSA-N 0 0 422.529 4.102 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(-c3c[nH]c4ccccc43)n2C[C@H]2CCCO2)nc1 ZINC000023615142 846729436 /nfs/dbraw/zinc/72/94/36/846729436.db2.gz KJGVXTWQUNISLR-CQSZACIVSA-N 0 0 422.470 4.060 20 5 HIBDRN CCCn1c2nnc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)n2c2ccccc2c1=O ZINC000024074341 846784243 /nfs/dbraw/zinc/78/42/43/846784243.db2.gz CTFMYGZHEZVFQZ-ZDUSSCGKSA-N 0 0 409.471 4.216 20 5 HIBDRN COc1cc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000024077028 846784566 /nfs/dbraw/zinc/78/45/66/846784566.db2.gz GEPAEEWYPPQJMV-NSHDSACASA-N 0 0 412.414 4.002 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000024080615 846785478 /nfs/dbraw/zinc/78/54/78/846785478.db2.gz GVVCPHJCMSALHL-UHFFFAOYSA-N 0 0 408.863 4.061 20 5 HIBDRN C[C@H](OC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000024084477 846786919 /nfs/dbraw/zinc/78/69/19/846786919.db2.gz NMBIXSVOEAKEBB-AWEZNQCLSA-N 0 0 415.423 4.080 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000024124782 846793359 /nfs/dbraw/zinc/79/33/59/846793359.db2.gz XQQOSQNQMBFDRN-OLZOCXBDSA-N 0 0 422.890 4.149 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)nc3ccccc32)cccc1[N+](=O)[O-] ZINC000024337955 846814222 /nfs/dbraw/zinc/81/42/22/846814222.db2.gz WQZLTORMZQBWBO-GFCCVEGCSA-N 0 0 413.817 4.289 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(OCC(C)C)c2)cccc1[N+](=O)[O-] ZINC000024360876 846817407 /nfs/dbraw/zinc/81/74/07/846817407.db2.gz FYFLJXNBUOUSKU-OAHLLOKOSA-N 0 0 400.431 4.122 20 5 HIBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000024370828 846819231 /nfs/dbraw/zinc/81/92/31/846819231.db2.gz LRRMISJJZSXKLY-UHFFFAOYSA-N 0 0 407.401 4.283 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)OCC(=O)c3ccc(C)c(C)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000024422987 846822234 /nfs/dbraw/zinc/82/22/34/846822234.db2.gz BWFQXQOMRYAQNQ-UHFFFAOYSA-N 0 0 421.453 4.113 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000024597235 846843630 /nfs/dbraw/zinc/84/36/30/846843630.db2.gz FMPZYUXCVPAXAA-UHFFFAOYSA-N 0 0 406.442 4.109 20 5 HIBDRN O=C(CN1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000024662673 846850887 /nfs/dbraw/zinc/85/08/87/846850887.db2.gz ZCWLQPVBPRNXNX-ZDUSSCGKSA-N 0 0 414.849 4.208 20 5 HIBDRN C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)C1 ZINC000024886752 846883226 /nfs/dbraw/zinc/88/32/26/846883226.db2.gz DCISMHXRZRPXHO-CYBMUJFWSA-N 0 0 415.519 4.110 20 5 HIBDRN CCn1c(=O)c2cc3ccccc3cc2nc1SCC(=O)Nc1nc(C)cs1 ZINC000024892123 846884008 /nfs/dbraw/zinc/88/40/08/846884008.db2.gz MVLNURLDOPCSKM-UHFFFAOYSA-N 0 0 410.524 4.065 20 5 HIBDRN C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1ccc(Cl)cn1 ZINC000024970061 846898998 /nfs/dbraw/zinc/89/89/98/846898998.db2.gz WPJOKQMUVVRROC-LBPRGKRZSA-N 0 0 424.913 4.254 20 5 HIBDRN CCc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000024997925 846901944 /nfs/dbraw/zinc/90/19/44/846901944.db2.gz LDEJVPBDUMZJJL-ZIAGYGMSSA-N 0 0 402.472 4.208 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc2c(cccc2F)s1 ZINC000025106132 846927746 /nfs/dbraw/zinc/92/77/46/846927746.db2.gz WBGWQEHIQYKNKH-JTQLQIEISA-N 0 0 418.402 4.141 20 5 HIBDRN O=[N+]([O-])c1ccccc1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000025114116 846929007 /nfs/dbraw/zinc/92/90/07/846929007.db2.gz NHYQIUSJSJWKOH-AWEZNQCLSA-N 0 0 402.501 4.386 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025398230 846972993 /nfs/dbraw/zinc/97/29/93/846972993.db2.gz UNYNKGLYADFIRX-NRFANRHFSA-N 0 0 417.465 4.190 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2Cl)N2CCOCC2)c2ccncc21 ZINC000025495191 846987751 /nfs/dbraw/zinc/98/77/51/846987751.db2.gz UELJWMAICXSHML-NRFANRHFSA-N 0 0 412.877 4.282 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000025494846 846988073 /nfs/dbraw/zinc/98/80/73/846988073.db2.gz HSUXVRATZLHRRS-CQSZACIVSA-N 0 0 414.462 4.027 20 5 HIBDRN Cc1ccc(C(=O)OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1[N+](=O)[O-] ZINC000025528249 846992604 /nfs/dbraw/zinc/99/26/04/846992604.db2.gz NVSGAFLPQXNFBP-UHFFFAOYSA-N 0 0 407.304 4.329 20 5 HIBDRN Cc1cccc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c1[N+](=O)[O-] ZINC000025548272 846999099 /nfs/dbraw/zinc/99/90/99/846999099.db2.gz HRWWYNUJVRPLPZ-UHFFFAOYSA-N 0 0 414.259 4.346 20 5 HIBDRN C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025771268 847034841 /nfs/dbraw/zinc/03/48/41/847034841.db2.gz GEJBQYRSCUKAGW-OAHLLOKOSA-N 0 0 424.453 4.007 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Br)cc1Cl ZINC000025902490 847054833 /nfs/dbraw/zinc/05/48/33/847054833.db2.gz ITCQQRZJYLOKPX-UHFFFAOYSA-N 0 0 414.643 4.070 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)COC(=O)c3c(C)cccc3[N+](=O)[O-])n2)cc1 ZINC000026115025 847087542 /nfs/dbraw/zinc/08/75/42/847087542.db2.gz ITAKPQGHIFNKJU-UHFFFAOYSA-N 0 0 411.439 4.131 20 5 HIBDRN CC(=O)N(c1nc(Cn2cnc([N+](=O)[O-])c2)cs1)c1c(C)cc(C)cc1Cl ZINC000026123232 847091625 /nfs/dbraw/zinc/09/16/25/847091625.db2.gz GCPVCUKKELSCFY-UHFFFAOYSA-N 0 0 405.867 4.251 20 5 HIBDRN CN(C)C(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 ZINC000026131077 847092908 /nfs/dbraw/zinc/09/29/08/847092908.db2.gz KLXVFWNKRZLTIF-UHFFFAOYSA-N 0 0 418.453 4.161 20 5 HIBDRN COC(=O)c1ccc(OCc2csc(-c3ccc(OC)cc3)n2)c([N+](=O)[O-])c1 ZINC000026270698 847117859 /nfs/dbraw/zinc/11/78/59/847117859.db2.gz VWDYPKIFFJANRS-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN O=C(Nc1ccc(OC(=O)c2cc(-c3ccco3)on2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000026374905 847136479 /nfs/dbraw/zinc/13/64/79/847136479.db2.gz SLDWHXWUPFUAKA-UHFFFAOYSA-N 0 0 419.349 4.314 20 5 HIBDRN CC(C)c1ccc([C@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000026392939 847138872 /nfs/dbraw/zinc/13/88/72/847138872.db2.gz FBADVRJTLHLVNX-HXUWFJFHSA-N 0 0 418.515 4.249 20 5 HIBDRN COc1ccc(NC(=O)CCSc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 ZINC000026417264 847142261 /nfs/dbraw/zinc/14/22/61/847142261.db2.gz HEJJHKHVJJCRQD-UHFFFAOYSA-N 0 0 422.413 4.469 20 5 HIBDRN C[C@H](OC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000026570200 847170823 /nfs/dbraw/zinc/17/08/23/847170823.db2.gz UOHZHRKYTQGZLR-ZETCQYMHSA-N 0 0 419.167 4.364 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(cccc3F)s2)c([N+](=O)[O-])c1 ZINC000026589575 847174900 /nfs/dbraw/zinc/17/49/00/847174900.db2.gz JQPMAQLIPJUPPU-SNVBAGLBSA-N 0 0 418.402 4.141 20 5 HIBDRN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(C)C)c1 ZINC000026747044 847192309 /nfs/dbraw/zinc/19/23/09/847192309.db2.gz RQWLCWIWDOMHJN-IBGZPJMESA-N 0 0 415.515 4.208 20 5 HIBDRN CCOc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)c([N+](=O)[O-])cc1OC ZINC000026782233 847196626 /nfs/dbraw/zinc/19/66/26/847196626.db2.gz KDFQVBDQNUABKY-UHFFFAOYSA-N 0 0 416.455 4.499 20 5 HIBDRN CCOc1cc(C(=O)N(CC)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000026907914 847221157 /nfs/dbraw/zinc/22/11/57/847221157.db2.gz LXLYMFUMJBZLKH-UHFFFAOYSA-N 0 0 401.444 4.279 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Nc2ccc(NC(=O)c3ccco3)cc2)cccc1[N+](=O)[O-] ZINC000026990222 847231499 /nfs/dbraw/zinc/23/14/99/847231499.db2.gz YIUAPUIVUVYKNC-AWEZNQCLSA-N 0 0 408.414 4.188 20 5 HIBDRN CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000027175826 847263096 /nfs/dbraw/zinc/26/30/96/847263096.db2.gz COKWIRMEJFWCGO-NSHDSACASA-N 0 0 424.379 4.320 20 5 HIBDRN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)o1 ZINC000027282173 847278427 /nfs/dbraw/zinc/27/84/27/847278427.db2.gz AWCPDQSMUKIRMP-KUHUBIRLSA-N 0 0 406.442 4.302 20 5 HIBDRN C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)o1 ZINC000027282188 847278727 /nfs/dbraw/zinc/27/87/27/847278727.db2.gz AWCPDQSMUKIRMP-IFXJQAMLSA-N 0 0 406.442 4.302 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000027498356 847313924 /nfs/dbraw/zinc/31/39/24/847313924.db2.gz JDRJPOTXRVORKV-YJBOKZPZSA-N 0 0 403.504 4.012 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000027590726 847324882 /nfs/dbraw/zinc/32/48/82/847324882.db2.gz VBNCCFSOHHOYQR-UHFFFAOYSA-N 0 0 401.466 4.016 20 5 HIBDRN O=C1CCc2cc(Nc3ncc(Cl)cc3[N+](=O)[O-])ccc2N1CC(F)(F)F ZINC000436424865 861781757 /nfs/dbraw/zinc/78/17/57/861781757.db2.gz JLQDVAHYFIORER-UHFFFAOYSA-N 0 0 400.744 4.228 20 5 HIBDRN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436425537 861783402 /nfs/dbraw/zinc/78/34/02/861783402.db2.gz QWMACRPFIYCWPN-IBGZPJMESA-N 0 0 418.472 4.148 20 5 HIBDRN COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1N1CCCC1=O ZINC000028039882 847377878 /nfs/dbraw/zinc/37/78/78/847377878.db2.gz BIBZJKQWTNQAAY-UHFFFAOYSA-N 0 0 411.439 4.197 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000028328689 847405953 /nfs/dbraw/zinc/40/59/53/847405953.db2.gz CTJRWDWTNLTDIT-RDTXWAMCSA-N 0 0 414.483 4.210 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccccc2C)c1 ZINC000028400729 847415676 /nfs/dbraw/zinc/41/56/76/847415676.db2.gz OIOQZQLQUATSOI-KGLIPLIRSA-N 0 0 402.472 4.048 20 5 HIBDRN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000028422226 847418941 /nfs/dbraw/zinc/41/89/41/847418941.db2.gz ROIFWLYNFJEQOZ-UHFFFAOYSA-N 0 0 420.903 4.472 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(Cc3cccnc3)C3CC3)cc2[N+](=O)[O-])C1 ZINC000028515603 847432952 /nfs/dbraw/zinc/43/29/52/847432952.db2.gz LCGIGEYLUFOXKK-CALCHBBNSA-N 0 0 408.502 4.277 20 5 HIBDRN CC(C)NC(=O)c1ccc(NC[C@H](c2ccccc2Cl)N(C)C)c([N+](=O)[O-])c1 ZINC000028751904 847455548 /nfs/dbraw/zinc/45/55/48/847455548.db2.gz NJUJUEDAJOLAOJ-LJQANCHMSA-N 0 0 404.898 4.101 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000028786032 847460242 /nfs/dbraw/zinc/46/02/42/847460242.db2.gz GVRGSLXJMOKMPH-UHFFFAOYSA-N 0 0 420.421 4.131 20 5 HIBDRN CCOc1cc(C(=O)NCc2c(OC)ccc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000029305360 847543673 /nfs/dbraw/zinc/54/36/73/847543673.db2.gz CGAYZQNGGKIONY-UHFFFAOYSA-N 0 0 410.426 4.094 20 5 HIBDRN CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1c(Cl)cccc1Cl ZINC000436446057 861806395 /nfs/dbraw/zinc/80/63/95/861806395.db2.gz HDVRODNUBHXDTI-UHFFFAOYSA-N 0 0 424.240 4.253 20 5 HIBDRN O=[N+]([O-])c1ccc(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)cc1 ZINC000029737939 847610907 /nfs/dbraw/zinc/61/09/07/847610907.db2.gz GCSWSNOBTDQSOO-UHFFFAOYSA-N 0 0 409.515 4.123 20 5 HIBDRN COc1ccc(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)cc1[N+](=O)[O-] ZINC000029878995 847639890 /nfs/dbraw/zinc/63/98/90/847639890.db2.gz PLZXYHDMUJTRKF-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029888784 847642156 /nfs/dbraw/zinc/64/21/56/847642156.db2.gz WJGJNMGNCFNIKQ-UHFFFAOYSA-N 0 0 413.430 4.281 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000436465535 861814830 /nfs/dbraw/zinc/81/48/30/861814830.db2.gz WKQOIXMEYZFBOR-HNNXBMFYSA-N 0 0 406.719 4.186 20 5 HIBDRN COC(=O)c1c(Cn2cc([N+](=O)[O-])c(C)n2)nc2ccccc2c1-c1ccccc1 ZINC000436472842 861817982 /nfs/dbraw/zinc/81/79/82/861817982.db2.gz ARFHSPMKIAPLQW-UHFFFAOYSA-N 0 0 402.410 4.150 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(Br)o1 ZINC000030213705 847689233 /nfs/dbraw/zinc/68/92/33/847689233.db2.gz USDFZVKRCWRJPN-SECBINFHSA-N 0 0 416.659 4.063 20 5 HIBDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000030278308 847697307 /nfs/dbraw/zinc/69/73/07/847697307.db2.gz PAAWTPIZKBUECO-MRXNPFEDSA-N 0 0 424.501 4.281 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(N(C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000030623129 847746095 /nfs/dbraw/zinc/74/60/95/847746095.db2.gz NGSYTIZVAIWNQQ-UHFFFAOYSA-N 0 0 410.451 4.310 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000030885747 847791022 /nfs/dbraw/zinc/79/10/22/847791022.db2.gz LIZYBASULUZYAP-UHFFFAOYSA-N 0 0 422.262 4.356 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)ccc1OC(C)C ZINC000031415645 847881797 /nfs/dbraw/zinc/88/17/97/847881797.db2.gz SDEUNTCYCCKNHJ-OAHLLOKOSA-N 0 0 424.457 4.067 20 5 HIBDRN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000031708124 847934496 /nfs/dbraw/zinc/93/44/96/847934496.db2.gz GSCHZCJGKWQTLM-UHFFFAOYSA-N 0 0 414.849 4.377 20 5 HIBDRN C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000031953262 847968701 /nfs/dbraw/zinc/96/87/01/847968701.db2.gz QDNRSZHDXJAZAP-NSHDSACASA-N 0 0 400.378 4.463 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c1 ZINC000031959655 847971545 /nfs/dbraw/zinc/97/15/45/847971545.db2.gz ZGUNINPGMOHFSV-UHFFFAOYSA-N 0 0 420.512 4.285 20 5 HIBDRN O=C(Nc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1)c1ccncc1 ZINC000031965855 847972974 /nfs/dbraw/zinc/97/29/74/847972974.db2.gz ZWZYYRKKTQFMOI-UHFFFAOYSA-N 0 0 417.425 4.069 20 5 HIBDRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032040355 847981527 /nfs/dbraw/zinc/98/15/27/847981527.db2.gz XKTFJWBHJUBWIO-UHFFFAOYSA-N 0 0 405.241 4.360 20 5 HIBDRN CCOc1ccc(C(=O)N2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)cc1[N+](=O)[O-] ZINC000032336256 848007142 /nfs/dbraw/zinc/00/71/42/848007142.db2.gz OJILMXWLEHKQDQ-UHFFFAOYSA-N 0 0 421.453 4.413 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)CSc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000032337619 848007747 /nfs/dbraw/zinc/00/77/47/848007747.db2.gz KFPMZUHNVRRIEG-UHFFFAOYSA-N 0 0 423.494 4.493 20 5 HIBDRN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032343148 848009493 /nfs/dbraw/zinc/00/94/93/848009493.db2.gz LUDRKVHJGOHASG-ZDUSSCGKSA-N 0 0 407.455 4.223 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000032417514 848022167 /nfs/dbraw/zinc/02/21/67/848022167.db2.gz PAUGTDYTTBUTHF-SNVBAGLBSA-N 0 0 419.286 4.292 20 5 HIBDRN CN(Cc1ccc(Br)s1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000032513451 848042118 /nfs/dbraw/zinc/04/21/18/848042118.db2.gz MDOXYJRTSPJNHN-UHFFFAOYSA-N 0 0 409.265 4.101 20 5 HIBDRN COc1ccccc1-c1csc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000032580504 848049180 /nfs/dbraw/zinc/04/91/80/848049180.db2.gz SKVBMIWOIOGOHI-UHFFFAOYSA-N 0 0 401.469 4.458 20 5 HIBDRN CCOc1ccc(C(C)=O)cc1CSCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000032794160 848076641 /nfs/dbraw/zinc/07/66/41/848076641.db2.gz MOVZKRYUJNSXRN-UHFFFAOYSA-N 0 0 403.456 4.496 20 5 HIBDRN Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000032890030 848090408 /nfs/dbraw/zinc/09/04/08/848090408.db2.gz MLGOFUSVIJMRPP-ZDUSSCGKSA-N 0 0 400.435 4.347 20 5 HIBDRN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033157690 848116339 /nfs/dbraw/zinc/11/63/39/848116339.db2.gz PGEKHQXDYSPLHG-UHFFFAOYSA-N 0 0 419.363 4.118 20 5 HIBDRN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2cccc(Br)c2)n1 ZINC000033176470 848118547 /nfs/dbraw/zinc/11/85/47/848118547.db2.gz HDTJAVQDFUXDFR-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CCOc1ccc([C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OCC ZINC000033239334 848131676 /nfs/dbraw/zinc/13/16/76/848131676.db2.gz LFDGADRHKZHSAB-QFIPXVFZSA-N 0 0 400.475 4.448 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1F)c1cc([N+](=O)[O-])ccc1I ZINC000035232608 848144038 /nfs/dbraw/zinc/14/40/38/848144038.db2.gz IKSMUJLUMIEHRP-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n(-c2cccc(Br)c2)n1 ZINC000036759203 848159856 /nfs/dbraw/zinc/15/98/56/848159856.db2.gz NUBIKDJJSSZOND-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000036795974 848162446 /nfs/dbraw/zinc/16/24/46/848162446.db2.gz RXUAXBRGWDNCEX-CQSZACIVSA-N 0 0 423.498 4.231 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])c1cc(Br)sc1Br ZINC000037976300 848175581 /nfs/dbraw/zinc/17/55/81/848175581.db2.gz KQCFFZMBTCXACN-UHFFFAOYSA-N 0 0 421.066 4.443 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)cc1[N+](=O)[O-] ZINC000041867463 848260115 /nfs/dbraw/zinc/26/01/15/848260115.db2.gz WPPIVQUXPFPVAK-AWEZNQCLSA-N 0 0 402.447 4.280 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000041934789 848266344 /nfs/dbraw/zinc/26/63/44/848266344.db2.gz DLABLFCBZRLGDU-NSHDSACASA-N 0 0 407.879 4.069 20 5 HIBDRN O=C(c1ccccc1O)N1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000436659835 861885099 /nfs/dbraw/zinc/88/50/99/861885099.db2.gz BHKMEQKYTBVFAP-UHFFFAOYSA-N 0 0 409.364 4.036 20 5 HIBDRN C[C@@H](c1nnc(Sc2ccc([N+](=O)[O-])cc2F)n1-c1ccc(F)cc1)N(C)C ZINC000042097323 848285584 /nfs/dbraw/zinc/28/55/84/848285584.db2.gz XYZVRQUQWOVVBZ-NSHDSACASA-N 0 0 405.430 4.228 20 5 HIBDRN COc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)cc1[N+](=O)[O-] ZINC000042153624 848293750 /nfs/dbraw/zinc/29/37/50/848293750.db2.gz ZLDOFYOYNRMKCL-UHFFFAOYSA-N 0 0 402.501 4.474 20 5 HIBDRN CCCCCc1nnc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC000042219586 848303483 /nfs/dbraw/zinc/30/34/83/848303483.db2.gz AFGQCVMFWWQIEP-UHFFFAOYSA-N 0 0 418.397 4.372 20 5 HIBDRN O=C(Nc1ccccc1N1CCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000042387844 848323744 /nfs/dbraw/zinc/32/37/44/848323744.db2.gz DHRWKWUHBTZDSD-UHFFFAOYSA-N 0 0 409.364 4.388 20 5 HIBDRN O=[N+]([O-])c1c(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)nc2sccn21 ZINC000042739131 848350172 /nfs/dbraw/zinc/35/01/72/848350172.db2.gz LULCTZWYNLQHKK-UHFFFAOYSA-N 0 0 403.851 4.483 20 5 HIBDRN O=c1c2cc3ccccc3cc2ncn1C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000042755313 848352432 /nfs/dbraw/zinc/35/24/32/848352432.db2.gz CSXDHIVRAZUQAU-RDPSFJRHSA-N 0 0 400.478 4.005 20 5 HIBDRN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000042918047 848365811 /nfs/dbraw/zinc/36/58/11/848365811.db2.gz YSUOJOBTUBABHW-IINYFYTJSA-N 0 0 405.357 4.043 20 5 HIBDRN O=C(Cc1csc(Cc2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918031 848366164 /nfs/dbraw/zinc/36/61/64/848366164.db2.gz LJWLATNCEAWGHR-UHFFFAOYSA-N 0 0 419.409 4.425 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Br)cc1F ZINC000042918269 848366185 /nfs/dbraw/zinc/36/61/85/848366185.db2.gz MBNHWOGZYNDHBV-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN COc1cc(CCNC(=O)Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])cc1OC ZINC000043154785 848390872 /nfs/dbraw/zinc/39/08/72/848390872.db2.gz NCLGPAJHKZLDND-UHFFFAOYSA-N 0 0 414.245 4.283 20 5 HIBDRN C[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cccc2ccccc21 ZINC000043237058 848397888 /nfs/dbraw/zinc/39/78/88/848397888.db2.gz FJVBXXOMNCEHMU-QGZVFWFLSA-N 0 0 404.470 4.341 20 5 HIBDRN CC(=O)Nc1nc2ccc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000043244132 848398655 /nfs/dbraw/zinc/39/86/55/848398655.db2.gz DTNLBGPOJATRPK-JTQLQIEISA-N 0 0 416.484 4.282 20 5 HIBDRN O=C(Nc1ccccc1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043341939 848411593 /nfs/dbraw/zinc/41/15/93/848411593.db2.gz UNUDQZUOKSADFC-UHFFFAOYSA-N 0 0 402.838 4.131 20 5 HIBDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342801 848412451 /nfs/dbraw/zinc/41/24/51/848412451.db2.gz DJIXLMBJECWTJH-GFCCVEGCSA-N 0 0 400.826 4.054 20 5 HIBDRN CCCOc1cc(NC(=O)N(C)Cc2cc(C)on2)c([N+](=O)[O-])cc1OCCC ZINC000043878397 848484725 /nfs/dbraw/zinc/48/47/25/848484725.db2.gz FLCOBYAXMGSTQM-UHFFFAOYSA-N 0 0 406.439 4.133 20 5 HIBDRN COc1cccc(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000044607536 848577624 /nfs/dbraw/zinc/57/76/24/848577624.db2.gz FREBCSZZELZKLP-UHFFFAOYSA-N 0 0 414.405 4.073 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)c([N+](=O)[O-])cc1OC ZINC000044686104 848592870 /nfs/dbraw/zinc/59/28/70/848592870.db2.gz ZUYOGIQKCPHTON-OAHLLOKOSA-N 0 0 402.447 4.347 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)cc2)cc1 ZINC000045158735 848642699 /nfs/dbraw/zinc/64/26/99/848642699.db2.gz UCYCXRJJMWAJOP-UHFFFAOYSA-N 0 0 411.439 4.478 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2nc3ccccc3s2)CC1 ZINC000045268589 848656718 /nfs/dbraw/zinc/65/67/18/848656718.db2.gz FLOOUTBTXRJOMK-UHFFFAOYSA-N 0 0 407.455 4.101 20 5 HIBDRN CCCOc1cc(NC(=O)NCc2csc(C)n2)c([N+](=O)[O-])cc1OCCC ZINC000045344762 848668255 /nfs/dbraw/zinc/66/82/55/848668255.db2.gz WHGLWUZYDAPBCN-UHFFFAOYSA-N 0 0 408.480 4.259 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(Br)cc2C)c([N+](=O)[O-])cc1OC ZINC000045438731 848679969 /nfs/dbraw/zinc/67/99/69/848679969.db2.gz ZAHMSZDMIWDCTJ-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN CCc1sc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1C ZINC000045537313 848690305 /nfs/dbraw/zinc/69/03/05/848690305.db2.gz XDMQQOKZSPMROD-OAHLLOKOSA-N 0 0 404.488 4.340 20 5 HIBDRN COc1cc(CNC(=O)NCc2ccccc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000045622780 848703524 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Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000065562850 852182357 /nfs/dbraw/zinc/18/23/57/852182357.db2.gz CXHQSVCALCBZNY-UHFFFAOYSA-N 0 0 410.474 4.016 20 5 HIBDRN CCOC(=O)C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(F)cc1 ZINC000065570592 852186881 /nfs/dbraw/zinc/18/68/81/852186881.db2.gz KDIXGBUPEWPRTP-MRXNPFEDSA-N 0 0 416.430 4.373 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(N(C)Cc2ccoc2C)c([N+](=O)[O-])c1 ZINC000065587596 852192342 /nfs/dbraw/zinc/19/23/42/852192342.db2.gz UNCRWPSZCPWQJP-UHFFFAOYSA-N 0 0 408.410 4.150 20 5 HIBDRN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000065598143 852194804 /nfs/dbraw/zinc/19/48/04/852194804.db2.gz NTGCXLIFISLSAV-UHFFFAOYSA-N 0 0 401.850 4.481 20 5 HIBDRN Cc1c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000065694022 852220846 /nfs/dbraw/zinc/22/08/46/852220846.db2.gz DNEBXFCMMRVOLZ-NSHDSACASA-N 0 0 408.241 4.202 20 5 HIBDRN COc1ccccc1N1CCC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 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CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000066025705 852357582 /nfs/dbraw/zinc/35/75/82/852357582.db2.gz IEEIOGPRMLQSJT-UHFFFAOYSA-N 0 0 413.257 4.338 20 5 HIBDRN O=C(Nc1ccccc1NCC(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000066050624 852365128 /nfs/dbraw/zinc/36/51/28/852365128.db2.gz UMPJQFPXJDPLPY-UHFFFAOYSA-N 0 0 405.336 4.007 20 5 HIBDRN CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000069005814 852379919 /nfs/dbraw/zinc/37/99/19/852379919.db2.gz OTNZDTSNOHTXFC-UHFFFAOYSA-N 0 0 422.470 4.139 20 5 HIBDRN Cn1cnnc1Sc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000437158957 862351047 /nfs/dbraw/zinc/35/10/47/862351047.db2.gz BNRZUYIGCAHUBR-UHFFFAOYSA-N 0 0 423.376 4.146 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(Br)cc1 ZINC000069177677 852386538 /nfs/dbraw/zinc/38/65/38/852386538.db2.gz LKTDLTPEWFWDOQ-CYBMUJFWSA-N 0 0 418.291 4.449 20 5 HIBDRN O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000069579031 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C[C@@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000097075050 852580725 /nfs/dbraw/zinc/58/07/25/852580725.db2.gz LMCNSUGUJHRBOW-SNVBAGLBSA-N 0 0 404.835 4.418 20 5 HIBDRN CCOc1cc(NC(=O)c2cc(Cl)c(Cl)n2C)c([N+](=O)[O-])cc1OCC ZINC000097262889 852594615 /nfs/dbraw/zinc/59/46/15/852594615.db2.gz OYHSRLCSQYDHHB-UHFFFAOYSA-N 0 0 402.234 4.290 20 5 HIBDRN CCCCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1 ZINC000097542722 852623601 /nfs/dbraw/zinc/62/36/01/852623601.db2.gz HMYWBNDGCXUONM-IBGZPJMESA-N 0 0 404.488 4.050 20 5 HIBDRN CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000097553875 852630295 /nfs/dbraw/zinc/63/02/95/852630295.db2.gz ISNSDDLUYPZKRX-ZDUSSCGKSA-N 0 0 411.886 4.015 20 5 HIBDRN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cc([N+](=O)[O-])ccc1F ZINC000098067577 852653287 /nfs/dbraw/zinc/65/32/87/852653287.db2.gz WKLUGGISGWXHAB-UHFFFAOYSA-N 0 0 408.798 4.168 20 5 HIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 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ZINC000109850244 853022824 /nfs/dbraw/zinc/02/28/24/853022824.db2.gz JSVBBTQBWILJSI-UHFFFAOYSA-N 0 0 416.434 4.270 20 5 HIBDRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109855863 853023426 /nfs/dbraw/zinc/02/34/26/853023426.db2.gz ZSGNQAHXLWWPJJ-UHFFFAOYSA-N 0 0 423.347 4.372 20 5 HIBDRN COc1ccc([C@H]2CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C2)cc1 ZINC000109928209 853036344 /nfs/dbraw/zinc/03/63/44/853036344.db2.gz WLWLSYCLLAEMDV-AWEZNQCLSA-N 0 0 424.375 4.174 20 5 HIBDRN COc1ccc([C@@H]2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)C2)cc1 ZINC000109929715 853036356 /nfs/dbraw/zinc/03/63/56/853036356.db2.gz VOFYMHBROBCVKP-LJQANCHMSA-N 0 0 412.489 4.179 20 5 HIBDRN COc1ccc(CC[C@H]2CCCCN2C(=O)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000110241717 853079117 /nfs/dbraw/zinc/07/91/17/853079117.db2.gz SAUQDDLRBWZNPO-LJQANCHMSA-N 0 0 412.486 4.168 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000110320442 853087598 /nfs/dbraw/zinc/08/75/98/853087598.db2.gz NPEGLRZSURMPPR-AUUYWEPGSA-N 0 0 415.877 4.039 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCc2cc(Br)ccc21 ZINC000110407630 853096789 /nfs/dbraw/zinc/09/67/89/853096789.db2.gz ZLYNANJOMAXQKQ-UHFFFAOYSA-N 0 0 400.232 4.432 20 5 HIBDRN Cn1ccnc1Sc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000110570222 853119284 /nfs/dbraw/zinc/11/92/84/853119284.db2.gz FFIQYMJNWSMHIZ-UHFFFAOYSA-N 0 0 411.487 4.310 20 5 HIBDRN COc1ccc(C)c2c1N(C(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)CCC2 ZINC000110590057 853122691 /nfs/dbraw/zinc/12/26/91/853122691.db2.gz LLCXJIDPBHKFKN-UHFFFAOYSA-N 0 0 409.486 4.108 20 5 HIBDRN O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1Oc1cccnc1 ZINC000110830787 853154999 /nfs/dbraw/zinc/15/49/99/853154999.db2.gz TXUYENZBABEQGK-UHFFFAOYSA-N 0 0 418.365 4.189 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000110843912 853156303 /nfs/dbraw/zinc/15/63/03/853156303.db2.gz TXSFVFGSHKXKPY-KRWDZBQOSA-N 0 0 414.405 4.281 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(SC(=O)N(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000111001285 853185185 /nfs/dbraw/zinc/18/51/85/853185185.db2.gz WYMVRQDPLDSDBX-UHFFFAOYSA-N 0 0 419.459 4.028 20 5 HIBDRN Cc1cc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)ccc1[N+](=O)[O-] ZINC000111004824 853185827 /nfs/dbraw/zinc/18/58/27/853185827.db2.gz RFMGCBLVNNVLHR-UHFFFAOYSA-N 0 0 402.410 4.382 20 5 HIBDRN O=C(Nc1cccc(I)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111008454 853186981 /nfs/dbraw/zinc/18/69/81/853186981.db2.gz JZVHQWDAGNNVNW-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(N4CCCC4)nc3)cc2[N+](=O)[O-])C1 ZINC000115417295 853251613 /nfs/dbraw/zinc/25/16/13/853251613.db2.gz KFJTXDDEFPECLT-INIZCTEOSA-N 0 0 409.490 4.079 20 5 HIBDRN Cc1ccc(OCc2nc(CC(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)cs2)cc1 ZINC000115521655 853252967 /nfs/dbraw/zinc/25/29/67/853252967.db2.gz SUALGSPGQRRXRU-UHFFFAOYSA-N 0 0 419.409 4.398 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)c(C(F)(F)F)c2)n1 ZINC000115884285 853270060 /nfs/dbraw/zinc/27/00/60/853270060.db2.gz DVAQGEGPIZGCAB-UHFFFAOYSA-N 0 0 424.404 4.408 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1 ZINC000116174954 853290174 /nfs/dbraw/zinc/29/01/74/853290174.db2.gz DWTABWOTOGXADW-UHFFFAOYSA-N 0 0 424.848 4.325 20 5 HIBDRN COc1cc(CN(C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1SC ZINC000116204969 853291039 /nfs/dbraw/zinc/29/10/39/853291039.db2.gz IFFYSYQWSCPJRC-LBPRGKRZSA-N 0 0 423.922 4.438 20 5 HIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(Br)cc1F ZINC000116303668 853296286 /nfs/dbraw/zinc/29/62/86/853296286.db2.gz NUFNZNNAEHPPIR-UHFFFAOYSA-N 0 0 405.183 4.139 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCCc1cc(-c2ccccc2)no1 ZINC000116604330 853319848 /nfs/dbraw/zinc/31/98/48/853319848.db2.gz GLUIMKLDPZMVNT-UHFFFAOYSA-N 0 0 408.458 4.061 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000116781261 853332642 /nfs/dbraw/zinc/33/26/42/853332642.db2.gz NTLIAZCUGCSONE-LJQANCHMSA-N 0 0 421.457 4.119 20 5 HIBDRN Cc1nc2ccccc2n1CC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000117212262 853348412 /nfs/dbraw/zinc/34/84/12/853348412.db2.gz LHYJNFDAGZWSER-UHFFFAOYSA-N 0 0 407.455 4.324 20 5 HIBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1csc(Br)c1 ZINC000127457437 853371417 /nfs/dbraw/zinc/37/14/17/853371417.db2.gz JJWOKQUIAUOTAL-UHFFFAOYSA-N 0 0 406.055 4.434 20 5 HIBDRN CCCC(=O)Nc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000138468393 853387613 /nfs/dbraw/zinc/38/76/13/853387613.db2.gz UUSAJYBFQIXJAL-ZDUSSCGKSA-N 0 0 419.865 4.071 20 5 HIBDRN Cc1cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc([N+](=O)[O-])c1 ZINC000139390014 853408636 /nfs/dbraw/zinc/40/86/36/853408636.db2.gz RPJMIEJACTVPSK-UHFFFAOYSA-N 0 0 413.437 4.081 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000437244951 862462115 /nfs/dbraw/zinc/46/21/15/862462115.db2.gz IAJCXLMNPSOSBD-OAHLLOKOSA-N 0 0 421.419 4.350 20 5 HIBDRN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000139804390 853422614 /nfs/dbraw/zinc/42/26/14/853422614.db2.gz CDYCHRJXNVHZQW-MRXNPFEDSA-N 0 0 419.865 4.470 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2)no1 ZINC000141139677 853462866 /nfs/dbraw/zinc/46/28/66/853462866.db2.gz RIUZANOHOCUWNU-SNVBAGLBSA-N 0 0 402.794 4.013 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000141219065 853465122 /nfs/dbraw/zinc/46/51/22/853465122.db2.gz YXPWUCBUPWRMRB-GJZGRUSLSA-N 0 0 413.499 4.080 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1nc(-c2ccccc2)cs1 ZINC000142420830 853494188 /nfs/dbraw/zinc/49/41/88/853494188.db2.gz SRIYXRQCKBVRTO-UHFFFAOYSA-N 0 0 406.423 4.284 20 5 HIBDRN COc1cc(C(=O)NCc2cc(C)on2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000142625313 853497104 /nfs/dbraw/zinc/49/71/04/853497104.db2.gz WACQUENCKBFJAK-UHFFFAOYSA-N 0 0 417.805 4.276 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1cccc2cccnc21 ZINC000142700280 853498038 /nfs/dbraw/zinc/49/80/38/853498038.db2.gz YDFSZXCKKBDVRK-UHFFFAOYSA-N 0 0 407.473 4.062 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000144933999 853542991 /nfs/dbraw/zinc/54/29/91/853542991.db2.gz ABFINYJCOPVXBK-KNQAVFIVSA-N 0 0 409.486 4.093 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccccc1COCc1ccccc1 ZINC000144999141 853544550 /nfs/dbraw/zinc/54/45/50/853544550.db2.gz GVWMENLZJPUORU-UHFFFAOYSA-N 0 0 405.454 4.040 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000146398868 853569649 /nfs/dbraw/zinc/56/96/49/853569649.db2.gz OOESZYLWKXPBNV-UHFFFAOYSA-N 0 0 406.398 4.500 20 5 HIBDRN Cc1cc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc([N+](=O)[O-])c1 ZINC000147255176 853585213 /nfs/dbraw/zinc/58/52/13/853585213.db2.gz KRYUPZXGVAGXNT-UHFFFAOYSA-N 0 0 412.833 4.411 20 5 HIBDRN Cc1cc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc([N+](=O)[O-])c1 ZINC000147397845 853587950 /nfs/dbraw/zinc/58/79/50/853587950.db2.gz 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COc1cc([C@@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)ccc1OCc1ccncc1 ZINC000195692426 853761474 /nfs/dbraw/zinc/76/14/74/853761474.db2.gz UBZYLQQPAJGAGU-MRXNPFEDSA-N 0 0 421.453 4.377 20 5 HIBDRN Cc1cc(C(=O)N(C[C@H]2CCCO2)c2ccc(Br)cc2)cc([N+](=O)[O-])c1 ZINC000195692822 853761909 /nfs/dbraw/zinc/76/19/09/853761909.db2.gz GBPKLLYXHWNRQY-GOSISDBHSA-N 0 0 419.275 4.492 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000195696755 853764316 /nfs/dbraw/zinc/76/43/16/853764316.db2.gz RTNRQTNINZWZKQ-UHFFFAOYSA-N 0 0 417.450 4.125 20 5 HIBDRN Cc1sc(NC(=O)Cc2cnn(-c3ccccc3)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000195704212 853769499 /nfs/dbraw/zinc/76/94/99/853769499.db2.gz SXGPXPCOTUZFSF-UHFFFAOYSA-N 0 0 419.466 4.394 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000195733105 853783768 /nfs/dbraw/zinc/78/37/68/853783768.db2.gz RDXVTXQWRGKTMB-LBPRGKRZSA-N 0 0 413.293 4.047 20 5 HIBDRN C[C@H](OC(=O)/C=C\c1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 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/nfs/dbraw/zinc/44/90/06/854449006.db2.gz VMDNICNRGCNDOP-UHFFFAOYSA-N 0 0 409.240 4.131 20 5 HIBDRN CCOc1c(Cl)cc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1OC ZINC000301712507 854450621 /nfs/dbraw/zinc/45/06/21/854450621.db2.gz YLRFOSQLMHLAQX-UHFFFAOYSA-N 0 0 416.659 4.425 20 5 HIBDRN C[C@H](Cc1ccc(F)c(Br)c1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301715597 854450641 /nfs/dbraw/zinc/45/06/41/854450641.db2.gz MQQIZHCHIPCTPR-SECBINFHSA-N 0 0 421.226 4.188 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@H](C)Nc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])cc2)n1 ZINC000301746930 854458180 /nfs/dbraw/zinc/45/81/80/854458180.db2.gz QKLFSRKVMNKNQM-AWEZNQCLSA-N 0 0 404.430 4.219 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000301749761 854458646 /nfs/dbraw/zinc/45/86/46/854458646.db2.gz TYZNZXUHUUMDHF-GFCCVEGCSA-N 0 0 403.801 4.216 20 5 HIBDRN COC(=O)c1cccc(NC2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)c1 ZINC000301757621 854460230 /nfs/dbraw/zinc/46/02/30/854460230.db2.gz LIXRTDSOBLAKSG-UHFFFAOYSA-N 0 0 406.442 4.011 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 ZINC000301779897 854463568 /nfs/dbraw/zinc/46/35/68/854463568.db2.gz JAPHKGWZAAZHSF-GFCCVEGCSA-N 0 0 404.348 4.446 20 5 HIBDRN CS(=O)(=O)c1cccc([C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)c2ccccc2)c1 ZINC000301781934 854465078 /nfs/dbraw/zinc/46/50/78/854465078.db2.gz JRDGAGATHIDFBZ-LJQANCHMSA-N 0 0 418.421 4.478 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(Oc2cccc(NS(=O)(=O)c3ccccc3)c2)c(F)c1 ZINC000301791743 854466882 /nfs/dbraw/zinc/46/68/82/854466882.db2.gz OFIPRLHXCFMXCW-UHFFFAOYSA-N 0 0 406.366 4.466 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NCc2cccc(-c3ccccn3)c2)c([N+](=O)[O-])c1 ZINC000301792958 854466934 /nfs/dbraw/zinc/46/69/34/854466934.db2.gz OVEMUEMLTXUTSQ-UHFFFAOYSA-N 0 0 413.437 4.233 20 5 HIBDRN Cc1noc(C)c1[C@@H](C)CNc1ccc(I)cc1[N+](=O)[O-] ZINC000301801617 854467386 /nfs/dbraw/zinc/46/73/86/854467386.db2.gz SPPUTJUAXSBJEF-QMMMGPOBSA-N 0 0 401.204 4.020 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(F)c1 ZINC000301806575 854468564 /nfs/dbraw/zinc/46/85/64/854468564.db2.gz WIUALJOOGVQEQM-GFCCVEGCSA-N 0 0 404.348 4.446 20 5 HIBDRN CC(C)NC(=O)c1ccc(N2CCC(Oc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000301828478 854471766 /nfs/dbraw/zinc/47/17/66/854471766.db2.gz QIZFXAIOLNERKB-UHFFFAOYSA-N 0 0 417.893 4.434 20 5 HIBDRN Cc1nc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000301862434 854478464 /nfs/dbraw/zinc/47/84/64/854478464.db2.gz FCRKJIVDVPAKKF-UHFFFAOYSA-N 0 0 421.862 4.227 20 5 HIBDRN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000301872200 854481241 /nfs/dbraw/zinc/48/12/41/854481241.db2.gz QEKVYMUWUWMKNW-SFHVURJKSA-N 0 0 421.432 4.196 20 5 HIBDRN O=C(Nc1ccccc1O)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301877548 854482353 /nfs/dbraw/zinc/48/23/53/854482353.db2.gz NRENZLPDCYCSOI-UHFFFAOYSA-N 0 0 418.453 4.218 20 5 HIBDRN O=C1CCCN1C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1ccccc1 ZINC000301879009 854483306 /nfs/dbraw/zinc/48/33/06/854483306.db2.gz UMHHWXVNCCTKPG-LJQANCHMSA-N 0 0 402.454 4.432 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000301887660 854484878 /nfs/dbraw/zinc/48/48/78/854484878.db2.gz MVJNMQYLCHHIBN-UHFFFAOYSA-N 0 0 407.655 4.450 20 5 HIBDRN C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)c1nc(-c2ccccc2)no1 ZINC000301890193 854485957 /nfs/dbraw/zinc/48/59/57/854485957.db2.gz TXQZISZVDUDODP-SNVBAGLBSA-N 0 0 404.224 4.018 20 5 HIBDRN Cc1ccc(CNc2c(Br)cncc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000301893433 854486085 /nfs/dbraw/zinc/48/60/85/854486085.db2.gz OZEOOUYPEZOPHR-AWEZNQCLSA-N 0 0 422.279 4.231 20 5 HIBDRN Cc1sc(CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])nc1-c1ccccc1 ZINC000301895496 854487362 /nfs/dbraw/zinc/48/73/62/854487362.db2.gz PYEHTAAKVDCKSN-UHFFFAOYSA-N 0 0 417.512 4.085 20 5 HIBDRN CS(=O)(=O)c1cccc(Nc2ccc(COCc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000301902383 854489293 /nfs/dbraw/zinc/48/92/93/854489293.db2.gz WITIPYYUUFVRKY-UHFFFAOYSA-N 0 0 412.467 4.459 20 5 HIBDRN O=[N+]([O-])c1cnc(N[C@@H](c2cccc(F)c2)c2ccccn2)c(Br)c1 ZINC000301906317 854489669 /nfs/dbraw/zinc/48/96/69/854489669.db2.gz ZERMYMLVLKHNKV-INIZCTEOSA-N 0 0 403.211 4.488 20 5 HIBDRN COc1cc(N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c(F)cc1[N+](=O)[O-] ZINC000301916823 854492538 /nfs/dbraw/zinc/49/25/38/854492538.db2.gz HFXKGONBOVQPHH-QGZVFWFLSA-N 0 0 400.328 4.339 20 5 HIBDRN O=C(Nc1ccc(F)cc1)NC1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000301917378 854492567 /nfs/dbraw/zinc/49/25/67/854492567.db2.gz BNRVQLCIXKSJMF-UHFFFAOYSA-N 0 0 424.379 4.126 20 5 HIBDRN COc1cc(F)c([N+](=O)[O-])c(Sc2nnc(NCc3ccc(F)cc3)s2)c1 ZINC000301927505 854495147 /nfs/dbraw/zinc/49/51/47/854495147.db2.gz KKVJAQUHUMFYBP-UHFFFAOYSA-N 0 0 410.427 4.496 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1NCc1ccc(COC2CCOCC2)cc1 ZINC000301933975 854497738 /nfs/dbraw/zinc/49/77/38/854497738.db2.gz QAZNIMUVZMTAGW-UHFFFAOYSA-N 0 0 422.279 4.060 20 5 HIBDRN C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000301934680 854497823 /nfs/dbraw/zinc/49/78/23/854497823.db2.gz OKJUVWSORNRWDJ-GFCCVEGCSA-N 0 0 403.485 4.295 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2Cc3ccccc3-c3ccccc3C2)s1 ZINC000301938173 854498668 /nfs/dbraw/zinc/49/86/68/854498668.db2.gz RPVONZIBBSKNCK-UHFFFAOYSA-N 0 0 400.481 4.247 20 5 HIBDRN O=[N+]([O-])c1ccc(Nc2cccc(C[S@](=O)C3CCOCC3)c2)c2ncccc12 ZINC000301955699 854503846 /nfs/dbraw/zinc/50/38/46/854503846.db2.gz LQEPLHFKXURIFM-LJAQVGFWSA-N 0 0 411.483 4.314 20 5 HIBDRN CNC(=O)c1ccc(N2CCc3sc(-c4csc(C)n4)cc3C2)c([N+](=O)[O-])c1 ZINC000301955763 854503874 /nfs/dbraw/zinc/50/38/74/854503874.db2.gz KVBUAUPIPXOVKV-UHFFFAOYSA-N 0 0 414.512 4.011 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(N2CCC(c3c[nH]c4ncccc43)CC2)cc1Cl ZINC000301977137 854508193 /nfs/dbraw/zinc/50/81/93/854508193.db2.gz FKDXKXNABYQMGB-UHFFFAOYSA-N 0 0 414.849 4.295 20 5 HIBDRN Cc1nc2c(s1)[C@@H](Nc1cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c1Cl)CCC2 ZINC000302032765 854518917 /nfs/dbraw/zinc/51/89/17/854518917.db2.gz NXGARIUHXWPBFG-AWEZNQCLSA-N 0 0 417.878 4.049 20 5 HIBDRN Cc1cc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302042486 854521014 /nfs/dbraw/zinc/52/10/14/854521014.db2.gz WWWPJFCZLVVAEJ-HNNXBMFYSA-N 0 0 400.479 4.193 20 5 HIBDRN COC(=O)c1cc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc(C)c1[N+](=O)[O-] ZINC000302068445 854526075 /nfs/dbraw/zinc/52/60/75/854526075.db2.gz XBHSKLZRNMOYCF-QGZVFWFLSA-N 0 0 424.375 4.287 20 5 HIBDRN Cc1ccc2[nH]c([C@H]3CCCN(c4ncc(Br)cc4[N+](=O)[O-])C3)nc2c1 ZINC000302140837 854536506 /nfs/dbraw/zinc/53/65/06/854536506.db2.gz OUXVLOGDMXYWAS-LBPRGKRZSA-N 0 0 416.279 4.321 20 5 HIBDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)nc1 ZINC000302144025 854536751 /nfs/dbraw/zinc/53/67/51/854536751.db2.gz GRCPBVDIEIRWTQ-UHFFFAOYSA-N 0 0 424.873 4.496 20 5 HIBDRN C[C@@H](Sc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000302163388 854540884 /nfs/dbraw/zinc/54/08/84/854540884.db2.gz ZCLOSOWHPORZLS-MRVPVSSYSA-N 0 0 407.300 4.402 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H]2CCO[C@]3(CCSC3)C2)nc1OCc1ccccc1 ZINC000302185042 854545342 /nfs/dbraw/zinc/54/53/42/854545342.db2.gz TZCRIISIFCMFKM-OXJNMPFZSA-N 0 0 401.488 4.035 20 5 HIBDRN CCOc1cccc(N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1[N+](=O)[O-] ZINC000302205553 854550065 /nfs/dbraw/zinc/55/00/65/854550065.db2.gz DDDYQYNMOUDRMT-UHFFFAOYSA-N 0 0 419.865 4.208 20 5 HIBDRN O=C(NC1CC1)c1ccc(N2CCC(=Cc3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000302215142 854551424 /nfs/dbraw/zinc/55/14/24/854551424.db2.gz HHWRMPCVBDDGTA-UHFFFAOYSA-N 0 0 413.424 4.449 20 5 HIBDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCC(Cc3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000302214221 854551601 /nfs/dbraw/zinc/55/16/01/854551601.db2.gz GLTMMMMTZPZCHR-UHFFFAOYSA-N 0 0 421.400 4.041 20 5 HIBDRN O=C(c1cc(N2CC[C@@H](c3c(F)cccc3F)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000302227207 854553570 /nfs/dbraw/zinc/55/35/70/854553570.db2.gz UGOYCAFMNNPNKJ-CQSZACIVSA-N 0 0 401.413 4.103 20 5 HIBDRN C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000302231588 854554525 /nfs/dbraw/zinc/55/45/25/854554525.db2.gz SDCHLVHXCUWUKZ-VIFPVBQESA-N 0 0 406.265 4.444 20 5 HIBDRN Cc1ccc(NC(=O)C2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)nc1 ZINC000302231678 854554605 /nfs/dbraw/zinc/55/46/05/854554605.db2.gz CZIMLTOKCHLBPA-UHFFFAOYSA-N 0 0 409.273 4.460 20 5 HIBDRN O=C(NCc1ccccc1)C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302243832 854555996 /nfs/dbraw/zinc/55/59/96/854555996.db2.gz QMDVRILLDLECNR-UHFFFAOYSA-N 0 0 408.285 4.434 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000302275007 854559183 /nfs/dbraw/zinc/55/91/83/854559183.db2.gz STCUBXFIQMKFSJ-UHFFFAOYSA-N 0 0 409.255 4.070 20 5 HIBDRN Cc1csc(NC2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)n1 ZINC000302305550 854561495 /nfs/dbraw/zinc/56/14/95/854561495.db2.gz ZIACMCHUQKYVEN-UHFFFAOYSA-N 0 0 410.503 4.206 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(O)(c3c(F)cccc3F)CC2)cc1C(F)(F)F ZINC000302365088 854564431 /nfs/dbraw/zinc/56/44/31/854564431.db2.gz 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Cc1cc(N2CCC(c3noc(C4CC4)n3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302639884 854596833 /nfs/dbraw/zinc/59/68/33/854596833.db2.gz DSHVHGWCPWMHTJ-UHFFFAOYSA-N 0 0 407.268 4.310 20 5 HIBDRN Cc1cc(N2CCCN(C(=O)c3ccccc3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302669288 854600962 /nfs/dbraw/zinc/60/09/62/854600962.db2.gz KBCJNVIMDDCXKV-UHFFFAOYSA-N 0 0 418.291 4.018 20 5 HIBDRN Cc1cc(N2CCC(NC(=O)c3ccsc3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302705901 854609074 /nfs/dbraw/zinc/60/90/74/854609074.db2.gz WAUFUXGVCXBEEG-UHFFFAOYSA-N 0 0 424.320 4.126 20 5 HIBDRN O=c1c(Cl)c(N2CCc3cc(Cl)ccc3C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000302722261 854612648 /nfs/dbraw/zinc/61/26/48/854612648.db2.gz MQXPIJBRZICDLS-UHFFFAOYSA-N 0 0 417.252 4.010 20 5 HIBDRN CCOc1cccc2cc([C@@H](C)Nc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)oc21 ZINC000302731767 854615231 /nfs/dbraw/zinc/61/52/31/854615231.db2.gz WQGKKWMVZHXVMC-GFCCVEGCSA-N 0 0 404.444 4.316 20 5 HIBDRN CCOC(=O)c1csc(C2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)n1 ZINC000302774118 854630880 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ZINC000303036723 854733451 /nfs/dbraw/zinc/73/34/51/854733451.db2.gz YSHHNPMRIWEERF-UHFFFAOYSA-N 0 0 422.254 4.027 20 5 HIBDRN CCC[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000303084272 854753590 /nfs/dbraw/zinc/75/35/90/854753590.db2.gz AOMJSUUYBGKBIS-FQEVSTJZSA-N 0 0 424.501 4.041 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000303125531 854773009 /nfs/dbraw/zinc/77/30/09/854773009.db2.gz OCBRGTPWQXRVPN-UHFFFAOYSA-N 0 0 418.137 4.038 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000303129681 854774675 /nfs/dbraw/zinc/77/46/75/854774675.db2.gz OBKMVVHDHWKBGX-UHFFFAOYSA-N 0 0 415.874 4.030 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000303136997 854779502 /nfs/dbraw/zinc/77/95/02/854779502.db2.gz JTGGSLXEHRGUGL-KBPBESRZSA-N 0 0 415.877 4.119 20 5 HIBDRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000303263089 854840805 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HIBDRN Cc1cccc([C@H]2CCCCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000303659797 855112553 /nfs/dbraw/zinc/11/25/53/855112553.db2.gz HBWQSWNYIQEROF-LJQANCHMSA-N 0 0 405.458 4.241 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000437359796 862643547 /nfs/dbraw/zinc/64/35/47/862643547.db2.gz RMIDEYJUKBQFTD-XJKSGUPXSA-N 0 0 424.881 4.301 20 5 HIBDRN O=C(c1ccc(Oc2ccccc2)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303689339 855134880 /nfs/dbraw/zinc/13/48/80/855134880.db2.gz LNOHHEZNKOFIDY-KRWDZBQOSA-N 0 0 404.426 4.109 20 5 HIBDRN O=C(c1ccc(Oc2ccccc2)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303689341 855134950 /nfs/dbraw/zinc/13/49/50/855134950.db2.gz LNOHHEZNKOFIDY-QGZVFWFLSA-N 0 0 404.426 4.109 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCSC[C@@H]2c2ccc(Cl)cc2)c2c(c1)COCO2 ZINC000303690926 855135667 /nfs/dbraw/zinc/13/56/67/855135667.db2.gz VHFGRQGKEDCFPU-GOSISDBHSA-N 0 0 406.891 4.405 20 5 HIBDRN Nc1c(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc(F)cc1[N+](=O)[O-] ZINC000303703062 855142121 /nfs/dbraw/zinc/14/21/21/855142121.db2.gz XOPPWJDDJSBDLP-LJAQVGFWSA-N 0 0 419.478 4.150 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000303762679 855181569 /nfs/dbraw/zinc/18/15/69/855181569.db2.gz LENHVHRBAFXPRH-CVEARBPZSA-N 0 0 408.332 4.142 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000303762468 855182033 /nfs/dbraw/zinc/18/20/33/855182033.db2.gz OVXBMGQXTMPENR-KRWDZBQOSA-N 0 0 413.449 4.048 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cnn(Cc2ccccc2Cl)c1 ZINC000303784293 855197088 /nfs/dbraw/zinc/19/70/88/855197088.db2.gz IYMOVQSJFDTIRY-UHFFFAOYSA-N 0 0 412.877 4.246 20 5 HIBDRN Cn1ccnc1[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1F ZINC000437364704 862652234 /nfs/dbraw/zinc/65/22/34/862652234.db2.gz QBMICAVVJAPRJR-INIZCTEOSA-N 0 0 422.338 4.006 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1CCN(c2nc3ccccc3o2)CC1 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405.296 4.137 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(I)c1 ZINC000312575772 855372718 /nfs/dbraw/zinc/37/27/18/855372718.db2.gz MVIQFHCHIHLCCC-UHFFFAOYSA-N 0 0 402.213 4.076 20 5 HIBDRN O=[N+]([O-])c1cc(Br)c(F)cc1OCc1cccc(Br)n1 ZINC000312582355 855372799 /nfs/dbraw/zinc/37/27/99/855372799.db2.gz WCHTZPVIKRUALI-UHFFFAOYSA-N 0 0 406.005 4.233 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(I)ccc1Cl ZINC000313904717 855374870 /nfs/dbraw/zinc/37/48/70/855374870.db2.gz USWQGIMPEZKLJT-UHFFFAOYSA-N 0 0 416.602 4.034 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000327860993 855420573 /nfs/dbraw/zinc/42/05/73/855420573.db2.gz UTKZFFFCHBRPKO-SECBINFHSA-N 0 0 407.250 4.422 20 5 HIBDRN Cc1nccn1-c1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1F ZINC000409460786 855490409 /nfs/dbraw/zinc/49/04/09/855490409.db2.gz VYEXJTATPSWPCX-UHFFFAOYSA-N 0 0 410.430 4.373 20 5 HIBDRN Cc1ccc(-n2nc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c3c2CCCC3)cc1 ZINC000409500685 855511418 /nfs/dbraw/zinc/51/14/18/855511418.db2.gz JZRNLNOBIYTHDQ-UHFFFAOYSA-N 0 0 404.470 4.240 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000409526612 855523692 /nfs/dbraw/zinc/52/36/92/855523692.db2.gz GZGCRAJJTIBLQK-HNNXBMFYSA-N 0 0 422.441 4.460 20 5 HIBDRN O=C(c1cc(NCCCc2c[nH]c3ccc(F)cc23)ccc1[N+](=O)[O-])N1CCCC1 ZINC000409546762 855535809 /nfs/dbraw/zinc/53/58/09/855535809.db2.gz GIGBEPXLCXNIHR-UHFFFAOYSA-N 0 0 410.449 4.496 20 5 HIBDRN O=C(NC1CCCC1)c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437379711 862690282 /nfs/dbraw/zinc/69/02/82/862690282.db2.gz IBVRCTRWKMTFLQ-UHFFFAOYSA-N 0 0 422.485 4.464 20 5 HIBDRN CC(C)[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000409558350 855540129 /nfs/dbraw/zinc/54/01/29/855540129.db2.gz XNXQGIZPAGRFCF-FQEVSTJZSA-N 0 0 401.438 4.016 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1SC ZINC000437381697 862692635 /nfs/dbraw/zinc/69/26/35/862692635.db2.gz GDWZYVVVZHWDFD-IINYFYTJSA-N 0 0 410.854 4.404 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000409640236 855576773 /nfs/dbraw/zinc/57/67/73/855576773.db2.gz RPYLSFJJEIJDAT-CYBMUJFWSA-N 0 0 405.296 4.274 20 5 HIBDRN C[C@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C(F)(F)F)cc1 ZINC000409656734 855586793 /nfs/dbraw/zinc/58/67/93/855586793.db2.gz KPKADGGPHWSUTR-JTQLQIEISA-N 0 0 405.336 4.141 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccncc1 ZINC000409670280 855594154 /nfs/dbraw/zinc/59/41/54/855594154.db2.gz FSFDCQQIVWEDFE-OAHLLOKOSA-N 0 0 422.441 4.460 20 5 HIBDRN COc1ccc(Br)c(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000409751568 855635850 /nfs/dbraw/zinc/63/58/50/855635850.db2.gz FYIAHQVXYZIJHJ-UHFFFAOYSA-N 0 0 414.643 4.341 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000409794387 855656950 /nfs/dbraw/zinc/65/69/50/855656950.db2.gz VJQBPESIYNGOOD-KBXCAEBGSA-N 0 0 421.400 4.486 20 5 HIBDRN COc1ccc2cc(CN(C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2c1 ZINC000409871072 855698130 /nfs/dbraw/zinc/69/81/30/855698130.db2.gz WODIAQGTFVKNSD-UHFFFAOYSA-N 0 0 420.874 4.231 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000409894399 855710564 /nfs/dbraw/zinc/71/05/64/855710564.db2.gz CHBLJVXXKCQKPH-OAQYLSRUSA-N 0 0 412.392 4.352 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F)O[C@H](C)C2 ZINC000409906339 855716721 /nfs/dbraw/zinc/71/67/21/855716721.db2.gz YALIYUNCYSPXMP-DIOULYMOSA-N 0 0 400.406 4.198 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Cc2c(F)ccc(Br)c2F)cc1[N+](=O)[O-] ZINC000409987954 855764970 /nfs/dbraw/zinc/76/49/70/855764970.db2.gz UOBABHJRVWGHFH-SNVBAGLBSA-N 0 0 413.218 4.364 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000410049660 855799630 /nfs/dbraw/zinc/79/96/30/855799630.db2.gz YQPRSIQWXTXCND-DEOSSOPVSA-N 0 0 418.449 4.204 20 5 HIBDRN CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CCC(C(C)(C)C)CC1 ZINC000410063161 855805945 /nfs/dbraw/zinc/80/59/45/855805945.db2.gz ANORJWURWGLWDZ-UHFFFAOYSA-N 0 0 417.506 4.346 20 5 HIBDRN CC[C@@H](C)[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000410076302 855809731 /nfs/dbraw/zinc/80/97/31/855809731.db2.gz XLWHRCAIUYDFIA-JLTOFOAXSA-N 0 0 418.457 4.174 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3C[C@H](C)OC[C@@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000437393298 862723466 /nfs/dbraw/zinc/72/34/66/862723466.db2.gz QPBCRMHINKKFMB-FDDCHVKYSA-N 0 0 423.513 4.433 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(Br)cccc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000410253249 855882942 /nfs/dbraw/zinc/88/29/42/855882942.db2.gz BXMKMBYJEGNETH-GFCCVEGCSA-N 0 0 411.639 4.264 20 5 HIBDRN O=C(N[C@H]1CCOc2c(Br)cccc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000410253250 855882996 /nfs/dbraw/zinc/88/29/96/855882996.db2.gz BXMKMBYJEGNETH-LBPRGKRZSA-N 0 0 411.639 4.264 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1 ZINC000410415977 855984388 /nfs/dbraw/zinc/98/43/88/855984388.db2.gz VTQQDRAAZWVGON-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc2[nH]ccc21 ZINC000425973022 856024801 /nfs/dbraw/zinc/02/48/01/856024801.db2.gz FIGFAUDMZFIZOS-UHFFFAOYSA-N 0 0 411.417 4.202 20 5 HIBDRN C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000426004833 856041567 /nfs/dbraw/zinc/04/15/67/856041567.db2.gz APVRVZBAWDHXBM-ONGXBYRLSA-N 0 0 405.458 4.080 20 5 HIBDRN C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Oc1cccc(F)c1 ZINC000426046922 856070993 /nfs/dbraw/zinc/07/09/93/856070993.db2.gz QKKSIEMYYIAWRM-LLVKDONJSA-N 0 0 415.343 4.019 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426050617 856074063 /nfs/dbraw/zinc/07/40/63/856074063.db2.gz LURUPDISRBALMT-LEWJYISDSA-N 0 0 413.449 4.328 20 5 HIBDRN COc1cccc(F)c1[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426052545 856074911 /nfs/dbraw/zinc/07/49/11/856074911.db2.gz YMLIPDRIQOGHFV-JTQLQIEISA-N 0 0 415.343 4.322 20 5 HIBDRN CC(C)C[C@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000426256756 856205812 /nfs/dbraw/zinc/20/58/12/856205812.db2.gz TZVICXMJNXACDD-ZBFHGGJFSA-N 0 0 403.401 4.007 20 5 HIBDRN C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426259978 856207244 /nfs/dbraw/zinc/20/72/44/856207244.db2.gz CJLHOEXREOLMBL-YVEFUNNKSA-N 0 0 408.380 4.301 20 5 HIBDRN C[C@@H](CN(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nccs1 ZINC000426268167 856211018 /nfs/dbraw/zinc/21/10/18/856211018.db2.gz BRZYHOMRILGAHQ-JTQLQIEISA-N 0 0 402.398 4.015 20 5 HIBDRN O=C(NCCCNc1cccc(F)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426269958 856212459 /nfs/dbraw/zinc/21/24/59/856212459.db2.gz GWYQIDBSBVVVMR-UHFFFAOYSA-N 0 0 414.359 4.054 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc2c(cc1F)NC(=O)CC2 ZINC000426313898 856239774 /nfs/dbraw/zinc/23/97/74/856239774.db2.gz XRFVMFGBGGBEOG-UHFFFAOYSA-N 0 0 409.826 4.003 20 5 HIBDRN CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC000426323658 856245460 /nfs/dbraw/zinc/24/54/60/856245460.db2.gz NHQOGDODWYOFAS-CQSZACIVSA-N 0 0 408.545 4.378 20 5 HIBDRN CCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000426324449 856246474 /nfs/dbraw/zinc/24/64/74/856246474.db2.gz QJZPEYLGNBFYQU-NSHDSACASA-N 0 0 414.430 4.360 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000426339653 856251861 /nfs/dbraw/zinc/25/18/61/856251861.db2.gz WRGFHCNKKZMLCL-QFIPXVFZSA-N 0 0 415.453 4.033 20 5 HIBDRN COc1ccc(COCCCc2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000426415570 856280436 /nfs/dbraw/zinc/28/04/36/856280436.db2.gz DDFPZDBIRGUDAZ-UHFFFAOYSA-N 0 0 411.458 4.462 20 5 HIBDRN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000426484705 856316074 /nfs/dbraw/zinc/31/60/74/856316074.db2.gz HHMURBIJOLNHPS-WNKDZCFJSA-N 0 0 401.507 4.401 20 5 HIBDRN CC(C)(c1nc(Cc2ccc(OCC(F)(F)F)nc2)no1)c1ccccc1[N+](=O)[O-] ZINC000426550309 856344194 /nfs/dbraw/zinc/34/41/94/856344194.db2.gz AVEWAHMQNCWAMZ-UHFFFAOYSA-N 0 0 422.363 4.231 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCSCc1cccc(OC(F)F)c1 ZINC000426547459 856344295 /nfs/dbraw/zinc/34/42/95/856344295.db2.gz FMKMYWRTBKRDNM-UHFFFAOYSA-N 0 0 412.414 4.467 20 5 HIBDRN Cc1cnc(OCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000426565908 856352047 /nfs/dbraw/zinc/35/20/47/856352047.db2.gz PRXGGPNDRRDOEG-HNNXBMFYSA-N 0 0 410.257 4.348 20 5 HIBDRN CC[C@@](C)(NC(=O)c1ccccc1)c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000426606187 856370740 /nfs/dbraw/zinc/37/07/40/856370740.db2.gz VAIONXWZAIGZQB-JOCHJYFZSA-N 0 0 408.458 4.359 20 5 HIBDRN CCSc1cccc(-c2noc(-c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)n2)c1 ZINC000426625273 856379953 /nfs/dbraw/zinc/37/99/53/856379953.db2.gz JLPAVWNTTMEJHA-UHFFFAOYSA-N 0 0 424.438 4.077 20 5 HIBDRN CC1(C)CCC[C@H]1NC(=O)c1ccc(C(=O)N[C@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000426627998 856381921 /nfs/dbraw/zinc/38/19/21/856381921.db2.gz JNMRSFFVSFHIHY-MSOLQXFVSA-N 0 0 401.507 4.212 20 5 HIBDRN CCCC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)[O-] ZINC000426647177 856392108 /nfs/dbraw/zinc/39/21/08/856392108.db2.gz OAYYNLYPZRGOEW-OAHLLOKOSA-N 0 0 411.252 4.350 20 5 HIBDRN C[C@@H](N(C)C(=O)c1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)cc1[N+](=O)[O-])C1(C)CC1 ZINC000426650654 856394289 /nfs/dbraw/zinc/39/42/89/856394289.db2.gz FKLSAAQSLLSPER-LSDHHAIUSA-N 0 0 401.507 4.116 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000426654810 856395845 /nfs/dbraw/zinc/39/58/45/856395845.db2.gz ORYZEHUISKEENP-UHFFFAOYSA-N 0 0 412.446 4.264 20 5 HIBDRN C[C@@H](CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)CC(=O)[O-] ZINC000426666108 856402217 /nfs/dbraw/zinc/40/22/17/856402217.db2.gz NYDREDOIYHYPEV-NSHDSACASA-N 0 0 411.252 4.208 20 5 HIBDRN CC(C)(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000426669436 856405109 /nfs/dbraw/zinc/40/51/09/856405109.db2.gz MCPKHFYVKPWIAF-UHFFFAOYSA-N 0 0 408.458 4.038 20 5 HIBDRN O=C([O-])C1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000426680592 856409447 /nfs/dbraw/zinc/40/94/47/856409447.db2.gz OZOYZYJEYIUPSD-UHFFFAOYSA-N 0 0 423.263 4.350 20 5 HIBDRN O=C([O-])COc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000426686661 856412965 /nfs/dbraw/zinc/41/29/65/856412965.db2.gz NNTMWCYMURZUEE-UHFFFAOYSA-N 0 0 412.467 4.119 20 5 HIBDRN COc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426688695 856414017 /nfs/dbraw/zinc/41/40/17/856414017.db2.gz WWOBAWGTJJEKCQ-UHFFFAOYSA-N 0 0 422.437 4.170 20 5 HIBDRN CN(c1ccccc1)c1ccc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426722763 856434152 /nfs/dbraw/zinc/43/41/52/856434152.db2.gz IRIPMOZMCJQVHL-FQEVSTJZSA-N 0 0 423.444 4.287 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000426727143 856436805 /nfs/dbraw/zinc/43/68/05/856436805.db2.gz MYWIRNVUGIMEAJ-QGZVFWFLSA-N 0 0 408.241 4.168 20 5 HIBDRN O=C([O-])[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426735468 856443083 /nfs/dbraw/zinc/44/30/83/856443083.db2.gz TURQGMCEBDAUIT-KRWDZBQOSA-N 0 0 417.874 4.157 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000426739584 856445423 /nfs/dbraw/zinc/44/54/23/856445423.db2.gz DFUKSLIXZMFZEN-HXUWFJFHSA-N 0 0 421.409 4.247 20 5 HIBDRN CC(C)(C)c1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])s1 ZINC000426745523 856449725 /nfs/dbraw/zinc/44/97/25/856449725.db2.gz HDCFZTJVQOCEHO-KRWDZBQOSA-N 0 0 401.488 4.221 20 5 HIBDRN C[C@@H]1CCCN(C(=O)c2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C)c([N+](=O)[O-])c2)[C@H]1C ZINC000426769510 856467939 /nfs/dbraw/zinc/46/79/39/856467939.db2.gz JMUXQBVDHODRFP-QZWWFDLISA-N 0 0 401.507 4.116 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426770359 856468734 /nfs/dbraw/zinc/46/87/34/856468734.db2.gz RBLVCYOJNAKNBP-IBGZPJMESA-N 0 0 423.400 4.261 20 5 HIBDRN COc1ccccc1-c1ccc(C[NH2+][C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000426771514 856469039 /nfs/dbraw/zinc/46/90/39/856469039.db2.gz CQNPKSZVXKEHDT-NRFANRHFSA-N 0 0 406.438 4.056 20 5 HIBDRN CC(C)(C)C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426801885 856486557 /nfs/dbraw/zinc/48/65/57/856486557.db2.gz WHRMVVHIZPXYAX-HXUWFJFHSA-N 0 0 422.485 4.427 20 5 HIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000426808295 856490204 /nfs/dbraw/zinc/49/02/04/856490204.db2.gz LHKRVUYNWZRYLJ-NRFANRHFSA-N 0 0 424.428 4.098 20 5 HIBDRN CC(C)[C@@H](CC(=O)[O-])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426810714 856491436 /nfs/dbraw/zinc/49/14/36/856491436.db2.gz JISRBWNPNCUBIC-HXUWFJFHSA-N 0 0 408.458 4.036 20 5 HIBDRN CC(C)c1ccc(C[NH2+][C@H](Cc2ccc(OC(F)F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426816604 856494241 /nfs/dbraw/zinc/49/42/41/856494241.db2.gz PWGIKXNOWCFVEK-QGZVFWFLSA-N 0 0 408.401 4.105 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000437428826 862803374 /nfs/dbraw/zinc/80/33/74/862803374.db2.gz HIMZFDXJXULADT-UHFFFAOYSA-N 0 0 415.471 4.215 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000437429188 862803696 /nfs/dbraw/zinc/80/36/96/862803696.db2.gz UTKIGAAANNERJR-UHFFFAOYSA-N 0 0 419.865 4.477 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CC2(C1)CCCC2 ZINC000426850248 856511885 /nfs/dbraw/zinc/51/18/85/856511885.db2.gz HWLPCOYVLYVLBV-UHFFFAOYSA-N 0 0 417.512 4.149 20 5 HIBDRN CC[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000426904535 856535237 /nfs/dbraw/zinc/53/52/37/856535237.db2.gz HLHRJSQADAMSIR-KRWDZBQOSA-N 0 0 401.438 4.298 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)n1 ZINC000427116308 856647502 /nfs/dbraw/zinc/64/75/02/856647502.db2.gz XVFKUUUUVIZCQM-UHFFFAOYSA-N 0 0 405.867 4.073 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@@H]2CCCc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000427214523 856716690 /nfs/dbraw/zinc/71/66/90/856716690.db2.gz ATOMCYRUMQQBTD-IBGZPJMESA-N 0 0 419.485 4.111 20 5 HIBDRN CCCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437466416 862828972 /nfs/dbraw/zinc/82/89/72/862828972.db2.gz JHDJGCCAIMFYRJ-UHFFFAOYSA-N 0 0 409.486 4.272 20 5 HIBDRN CCCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1Br ZINC000427249925 856735413 /nfs/dbraw/zinc/73/54/13/856735413.db2.gz PJBXGRPTNGTPAL-LBPRGKRZSA-N 0 0 409.284 4.187 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000437468316 862830904 /nfs/dbraw/zinc/83/09/04/862830904.db2.gz OMVOUTGMOKDDLK-UTKZUKDTSA-N 0 0 402.878 4.383 20 5 HIBDRN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)c(OCc2ccccc2)c1 ZINC000427318932 856768002 /nfs/dbraw/zinc/76/80/02/856768002.db2.gz CQFLLQXNVRDJLK-UHFFFAOYSA-N 0 0 408.410 4.443 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2 ZINC000427322435 856770054 /nfs/dbraw/zinc/77/00/54/856770054.db2.gz SVXPDKFNDDQTAA-UHFFFAOYSA-N 0 0 423.450 4.032 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2c[nH]c3ncccc23)c(C)s1 ZINC000427384989 856802703 /nfs/dbraw/zinc/80/27/03/856802703.db2.gz QXNQUEHWVYTIFL-UHFFFAOYSA-N 0 0 409.427 4.164 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000427381733 856802749 /nfs/dbraw/zinc/80/27/49/856802749.db2.gz JADULODAXNLVKL-LJQANCHMSA-N 0 0 411.845 4.366 20 5 HIBDRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)o1 ZINC000437478457 862838178 /nfs/dbraw/zinc/83/81/78/862838178.db2.gz BXTFMMAGWPCDRG-CZUORRHYSA-N 0 0 402.447 4.381 20 5 HIBDRN C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000427425022 856815104 /nfs/dbraw/zinc/81/51/04/856815104.db2.gz SOENJPPJJBTUIS-MXSMSXNCSA-N 0 0 401.507 4.116 20 5 HIBDRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000427432465 856817655 /nfs/dbraw/zinc/81/76/55/856817655.db2.gz UUBGYICBUUCRQO-KRWDZBQOSA-N 0 0 401.850 4.114 20 5 HIBDRN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427441536 856821997 /nfs/dbraw/zinc/82/19/97/856821997.db2.gz LSCHXBHKDIEBQX-SFHVURJKSA-N 0 0 400.797 4.039 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000427444944 856822575 /nfs/dbraw/zinc/82/25/75/856822575.db2.gz WCDHIJIFKZMJLJ-UHFFFAOYSA-N 0 0 411.458 4.180 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000427445361 856823122 /nfs/dbraw/zinc/82/31/22/856823122.db2.gz AKEFXCOKQFZJRM-OAQYLSRUSA-N 0 0 415.449 4.312 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000427469779 856835039 /nfs/dbraw/zinc/83/50/39/856835039.db2.gz NWNLSKVNGQUSLI-AWEZNQCLSA-N 0 0 412.421 4.020 20 5 HIBDRN Cc1cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])nn1C1CCCCC1 ZINC000427504950 856843276 /nfs/dbraw/zinc/84/32/76/856843276.db2.gz LSAIOHOCIGVRIU-UHFFFAOYSA-N 0 0 405.458 4.919 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1Cl ZINC000427504648 856843416 /nfs/dbraw/zinc/84/34/16/856843416.db2.gz KMCBMINSOPYNCC-QMMMGPOBSA-N 0 0 416.648 4.371 20 5 HIBDRN C/C(=C\c1ccccc1)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000427560274 856866084 /nfs/dbraw/zinc/86/60/84/856866084.db2.gz RWBLQKYTHBLECT-QMPJNXRZSA-N 0 0 421.497 4.070 20 5 HIBDRN O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427568224 856870319 /nfs/dbraw/zinc/87/03/19/856870319.db2.gz DRUZINFYUHOWKF-UHFFFAOYSA-N 0 0 403.442 4.062 20 5 HIBDRN O=C(COc1ccc(Cl)c2cccnc12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427578210 856874618 /nfs/dbraw/zinc/87/46/18/856874618.db2.gz NZIHKMWHVJQBCB-UHFFFAOYSA-N 0 0 411.845 4.366 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3ccco3)cc2F)cc1[N+](=O)[O-] ZINC000427580669 856875639 /nfs/dbraw/zinc/87/56/39/856875639.db2.gz QAAJMRTVMRGLDL-CYBMUJFWSA-N 0 0 411.389 4.118 20 5 HIBDRN COCCC1(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 ZINC000427589979 856880254 /nfs/dbraw/zinc/88/02/54/856880254.db2.gz VVOLPJMGECFIDA-UHFFFAOYSA-N 0 0 407.517 4.057 20 5 HIBDRN O=C(Cc1csc(Cc2ccccc2)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427590799 856880367 /nfs/dbraw/zinc/88/03/67/856880367.db2.gz DLHBGYNXAJRDSB-UHFFFAOYSA-N 0 0 407.495 4.376 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2C)n1 ZINC000427599745 856884028 /nfs/dbraw/zinc/88/40/28/856884028.db2.gz BUGBROICVCEJRL-UHFFFAOYSA-N 0 0 410.478 4.164 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2OCc2cccc(Cl)c2)n1 ZINC000427601333 856884057 /nfs/dbraw/zinc/88/40/57/856884057.db2.gz KOXBBNAISBGKDH-UHFFFAOYSA-N 0 0 400.822 4.296 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Br)ccc1NC(C)C ZINC000427622743 856890582 /nfs/dbraw/zinc/89/05/82/856890582.db2.gz STSWGRJMHNWWFM-UHFFFAOYSA-N 0 0 408.252 4.439 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000427786525 856953907 /nfs/dbraw/zinc/95/39/07/856953907.db2.gz RMLVACZDHOFQBI-UHFFFAOYSA-N 0 0 423.494 4.319 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(OCC(F)(F)F)cc1 ZINC000427892881 856995800 /nfs/dbraw/zinc/99/58/00/856995800.db2.gz DXNVFAVQVDPJIB-UHFFFAOYSA-N 0 0 421.331 4.102 20 5 HIBDRN C[C@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCS1 ZINC000427913447 857004169 /nfs/dbraw/zinc/00/41/69/857004169.db2.gz JAKFHMZFZBXQKJ-JTQLQIEISA-N 0 0 415.302 4.055 20 5 HIBDRN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1cccc(C(F)(F)F)c1 ZINC000427919321 857007609 /nfs/dbraw/zinc/00/76/09/857007609.db2.gz ZMBBZQSLRCENHS-GFCCVEGCSA-N 0 0 419.359 4.418 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccccc2F)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000428019889 857043679 /nfs/dbraw/zinc/04/36/79/857043679.db2.gz GMTDXRLEXYFFCJ-UHFFFAOYSA-N 0 0 406.373 4.333 20 5 HIBDRN CCc1nc(C)c([C@@H](C)N(C)C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)s1 ZINC000428028837 857047780 /nfs/dbraw/zinc/04/77/80/857047780.db2.gz BEFWWMRANLYUPP-CYBMUJFWSA-N 0 0 414.487 4.069 20 5 HIBDRN CCOc1ccc(-c2nc(COc3ccc([N+](=O)[O-])c(CO)c3)cs2)cc1OC ZINC000428062104 857059133 /nfs/dbraw/zinc/05/91/33/857059133.db2.gz IMHDNQHAOSRNRH-UHFFFAOYSA-N 0 0 416.455 4.197 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2cccc(Br)c2OC(F)F)cc1CO ZINC000428071724 857063174 /nfs/dbraw/zinc/06/31/74/857063174.db2.gz RZXKNAQJTBYKTE-UHFFFAOYSA-N 0 0 404.163 4.030 20 5 HIBDRN O=C(Nc1ccc(-c2ccco2)cc1F)c1cc([N+](=O)[O-])ccc1SCCO ZINC000428086990 857067159 /nfs/dbraw/zinc/06/71/59/857067159.db2.gz XINRHBKVSMYLKA-UHFFFAOYSA-N 0 0 402.403 4.331 20 5 HIBDRN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000428193954 857105857 /nfs/dbraw/zinc/10/58/57/857105857.db2.gz IBYOHFXWEYEOGE-OAHLLOKOSA-N 0 0 418.272 4.415 20 5 HIBDRN O=C(N[C@H]1CSc2ccc(Br)cc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000428193953 857105938 /nfs/dbraw/zinc/10/59/38/857105938.db2.gz IBYOHFXWEYEOGE-HNNXBMFYSA-N 0 0 418.272 4.415 20 5 HIBDRN O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000428197630 857107888 /nfs/dbraw/zinc/10/78/88/857107888.db2.gz ALQRDSDHAFFTRV-UHFFFAOYSA-N 0 0 417.303 4.397 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000428219601 857115842 /nfs/dbraw/zinc/11/58/42/857115842.db2.gz FHAQODCPXGHXPO-UHFFFAOYSA-N 0 0 419.231 4.384 20 5 HIBDRN CO[C@](C)(C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1F ZINC000428312281 857147995 /nfs/dbraw/zinc/14/79/95/857147995.db2.gz FCKPYNCMKRPXRA-IBGZPJMESA-N 0 0 401.419 4.358 20 5 HIBDRN COC(=O)[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000428385199 857184330 /nfs/dbraw/zinc/18/43/30/857184330.db2.gz PRPWEAOQFCKKIH-DJJJIMSYSA-N 0 0 406.866 4.082 20 5 HIBDRN CCCc1nc(C)c(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 ZINC000428460165 857210219 /nfs/dbraw/zinc/21/02/19/857210219.db2.gz GASBMKTUWBUZMQ-UHFFFAOYSA-N 0 0 412.412 4.185 20 5 HIBDRN O=C(CCCOc1ccc2c(c1)CCC2)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000428494463 857224911 /nfs/dbraw/zinc/22/49/11/857224911.db2.gz AJCRVTNCPJMMJS-UHFFFAOYSA-N 0 0 412.442 4.043 20 5 HIBDRN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000437562484 862886993 /nfs/dbraw/zinc/88/69/93/862886993.db2.gz YYWKVCYHGBIGAA-UHFFFAOYSA-N 0 0 421.335 4.095 20 5 HIBDRN CC[C@]1(CO)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000428522619 857240088 /nfs/dbraw/zinc/24/00/88/857240088.db2.gz NCTLYWIULHTCKY-NRFANRHFSA-N 0 0 400.500 4.371 20 5 HIBDRN O=C(c1cccc(Br)c1F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000428634939 857284159 /nfs/dbraw/zinc/28/41/59/857284159.db2.gz CMYVFGJOKLPGGU-INIZCTEOSA-N 0 0 411.252 4.384 20 5 HIBDRN COCCOc1ccc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000428644936 857287672 /nfs/dbraw/zinc/28/76/72/857287672.db2.gz XGKCOFPWTOLNHK-UHFFFAOYSA-N 0 0 420.465 4.396 20 5 HIBDRN CCOC(=O)c1csc(C2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)n1 ZINC000428675860 857294964 /nfs/dbraw/zinc/29/49/64/857294964.db2.gz WVWIBHLIIJXXFY-UHFFFAOYSA-N 0 0 412.471 4.160 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2cccc(Br)c2)c2ccncc21 ZINC000428673096 857295201 /nfs/dbraw/zinc/29/52/01/857295201.db2.gz SMAHDRTUURHYEI-CQSZACIVSA-N 0 0 416.275 4.169 20 5 HIBDRN CC[C@@]1(O)CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000428728458 857311955 /nfs/dbraw/zinc/31/19/55/857311955.db2.gz RRYWUWQZBIBUJS-LJQANCHMSA-N 0 0 406.891 4.386 20 5 HIBDRN Cc1cnccc1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000428741726 857314461 /nfs/dbraw/zinc/31/44/61/857314461.db2.gz ANGCRWORBNHJCV-UHFFFAOYSA-N 0 0 410.861 4.494 20 5 HIBDRN O=C(N[C@@H]1CCC[C@@H]1CCO)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000428791116 857341432 /nfs/dbraw/zinc/34/14/32/857341432.db2.gz DKWHYICRZXIHAP-CXAGYDPISA-N 0 0 404.850 4.321 20 5 HIBDRN CC[C@H](NC(=O)Nc1cccc(Cn2nc(C)nc2C)c1)c1cccc([N+](=O)[O-])c1 ZINC000428809481 857354145 /nfs/dbraw/zinc/35/41/45/857354145.db2.gz QDCOPZSGCQEFFK-FQEVSTJZSA-N 0 0 408.462 4.124 20 5 HIBDRN Cc1nc(C)n(Cc2cccc(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)n1 ZINC000428812777 857356864 /nfs/dbraw/zinc/35/68/64/857356864.db2.gz ZSMCAXOJJJMFNT-CQSZACIVSA-N 0 0 408.462 4.043 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000437590524 862903854 /nfs/dbraw/zinc/90/38/54/862903854.db2.gz NBZPRKPANQKPOR-UHFFFAOYSA-N 0 0 407.373 4.272 20 5 HIBDRN COC[C@H](C)Nc1ccccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000437590892 862905210 /nfs/dbraw/zinc/90/52/10/862905210.db2.gz NLROJDXELQDYQI-NSHDSACASA-N 0 0 408.252 4.056 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CCCC3=O)c(F)c2)cc1[N+](=O)[O-] ZINC000428891845 857395297 /nfs/dbraw/zinc/39/52/97/857395297.db2.gz YTIABVVNMBXAAW-CYBMUJFWSA-N 0 0 400.410 4.052 20 5 HIBDRN CCOc1cccc([C@H]2C[C@H]2NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000429037811 857468458 /nfs/dbraw/zinc/46/84/58/857468458.db2.gz ABLUNPFFCMVCTB-QZTJIDSGSA-N 0 0 423.391 4.368 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000429055279 857481685 /nfs/dbraw/zinc/48/16/85/857481685.db2.gz MDQFYNMSEFGJTG-ZDUSSCGKSA-N 0 0 424.906 4.184 20 5 HIBDRN CC[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000429069519 857491986 /nfs/dbraw/zinc/49/19/86/857491986.db2.gz JYXIBXWJGPTZTM-IBGZPJMESA-N 0 0 410.474 4.412 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429149695 857531993 /nfs/dbraw/zinc/53/19/93/857531993.db2.gz LUQIHWQSTMQOJQ-MRXNPFEDSA-N 0 0 405.907 4.362 20 5 HIBDRN O=C(Nc1cccc(-c2c[nH]nn2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000429244546 857571274 /nfs/dbraw/zinc/57/12/74/857571274.db2.gz LKZCQGVKJWIUDY-UHFFFAOYSA-N 0 0 415.409 4.211 20 5 HIBDRN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429250033 857574664 /nfs/dbraw/zinc/57/46/64/857574664.db2.gz DUMDEUHGRMMIMX-UHFFFAOYSA-N 0 0 421.501 4.169 20 5 HIBDRN CC(C)(NCc1nc(-c2ccc(Br)s2)no1)c1ccccc1[N+](=O)[O-] ZINC000429267611 857582604 /nfs/dbraw/zinc/58/26/04/857582604.db2.gz YKIMXERQGMZRHX-UHFFFAOYSA-N 0 0 423.292 4.494 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cc3c(cc2Cl)CCC3=O)cc1[N+](=O)[O-] ZINC000429505277 857703819 /nfs/dbraw/zinc/70/38/19/857703819.db2.gz QTEQAIHREVEBIZ-UHFFFAOYSA-N 0 0 420.874 4.258 20 5 HIBDRN Cc1noc(C[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000429520305 857713850 /nfs/dbraw/zinc/71/38/50/857713850.db2.gz DAYFVSYWFIVMLD-GOSISDBHSA-N 0 0 408.458 4.298 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)OCCO2 ZINC000429660836 857823814 /nfs/dbraw/zinc/82/38/14/857823814.db2.gz OCFQGKXLZFYVNN-HNNXBMFYSA-N 0 0 401.419 4.038 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000437629938 862955014 /nfs/dbraw/zinc/95/50/14/862955014.db2.gz ZUYFIRGARFJWDG-NRFANRHFSA-N 0 0 413.518 4.317 20 5 HIBDRN CC(C)(CO)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000437632066 862956160 /nfs/dbraw/zinc/95/61/60/862956160.db2.gz UKCWPKVYIWJJOH-HXUWFJFHSA-N 0 0 411.502 4.071 20 5 HIBDRN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429785167 857883994 /nfs/dbraw/zinc/88/39/94/857883994.db2.gz PWODAAYRDWDTOJ-IAGOWNOFSA-N 0 0 405.248 4.007 20 5 HIBDRN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429785166 857884166 /nfs/dbraw/zinc/88/41/66/857884166.db2.gz PWODAAYRDWDTOJ-DLBZAZTESA-N 0 0 405.248 4.007 20 5 HIBDRN O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429789975 857886273 /nfs/dbraw/zinc/88/62/73/857886273.db2.gz DVLOLTUCTTWILH-UHFFFAOYSA-N 0 0 409.667 4.472 20 5 HIBDRN O=C(NCc1coc(-c2cccs2)n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429823840 857898552 /nfs/dbraw/zinc/89/85/52/857898552.db2.gz KHZXCDHQAJPAPV-UHFFFAOYSA-N 0 0 408.233 4.004 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000429833330 857901668 /nfs/dbraw/zinc/90/16/68/857901668.db2.gz PYAGMOKIBKRJNC-AWEZNQCLSA-N 0 0 421.247 4.010 20 5 HIBDRN CN(CCCOc1ccc(F)cc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429851495 857911272 /nfs/dbraw/zinc/91/12/72/857911272.db2.gz ZCMRVSSNQFHGJF-UHFFFAOYSA-N 0 0 411.227 4.038 20 5 HIBDRN COc1ccc(CC[C@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000429855547 857912538 /nfs/dbraw/zinc/91/25/38/857912538.db2.gz UIWBVWBCLOOAMX-LBPRGKRZSA-N 0 0 407.264 4.117 20 5 HIBDRN Cc1cccc(C)c1OCCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429866629 857919241 /nfs/dbraw/zinc/91/92/41/857919241.db2.gz ANGYRWSNJOIGBU-UHFFFAOYSA-N 0 0 407.264 4.173 20 5 HIBDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000437636446 862965229 /nfs/dbraw/zinc/96/52/29/862965229.db2.gz SNOJEBGZLDSLLI-ZTFRIQLXSA-N 0 0 404.264 4.274 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(I)cc1)c1ccccc1[N+](=O)[O-] ZINC000429928984 857953482 /nfs/dbraw/zinc/95/34/82/857953482.db2.gz QCIGQYFXSGQWQE-UHFFFAOYSA-N 0 0 410.211 4.116 20 5 HIBDRN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000429937759 857959403 /nfs/dbraw/zinc/95/94/03/857959403.db2.gz AWPKAGKBJVCEKD-UHFFFAOYSA-N 0 0 406.236 4.204 20 5 HIBDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429959597 857969608 /nfs/dbraw/zinc/96/96/08/857969608.db2.gz FHHTUNJNKRCEFI-UHFFFAOYSA-N 0 0 415.190 4.231 20 5 HIBDRN O=C(NCc1ccnc(OC2CCCC2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429959149 857969644 /nfs/dbraw/zinc/96/96/44/857969644.db2.gz SURTUTCAWVWGNE-UHFFFAOYSA-N 0 0 420.263 4.004 20 5 HIBDRN COc1cccc2sc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])nc21 ZINC000429959856 857969987 /nfs/dbraw/zinc/96/99/87/857969987.db2.gz GGSOPWQIJSOELM-UHFFFAOYSA-N 0 0 408.233 4.228 20 5 HIBDRN C[C@H]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000429961662 857971459 /nfs/dbraw/zinc/97/14/59/857971459.db2.gz AAQXRIWGCALEFK-QWHCGFSZSA-N 0 0 419.528 4.393 20 5 HIBDRN O=C(N[C@H](c1ccco1)c1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429966157 857974330 /nfs/dbraw/zinc/97/43/30/857974330.db2.gz JHMSRXQPRZKTIT-KRWDZBQOSA-N 0 0 401.216 4.470 20 5 HIBDRN Cc1cc(Br)cnc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430080851 858022751 /nfs/dbraw/zinc/02/27/51/858022751.db2.gz PBIXMUCAGJGILS-VIFPVBQESA-N 0 0 414.643 4.120 20 5 HIBDRN NC(=O)c1ccc(CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)c(F)c1 ZINC000430085877 858024660 /nfs/dbraw/zinc/02/46/60/858024660.db2.gz OHJBGDNSQBXLPW-UHFFFAOYSA-N 0 0 409.417 4.257 20 5 HIBDRN CS(=O)(=O)CC[C@H]1CCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000430103493 858032911 /nfs/dbraw/zinc/03/29/11/858032911.db2.gz QBPJUWYWSVLZJQ-MRXNPFEDSA-N 0 0 408.545 4.113 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430190964 858074228 /nfs/dbraw/zinc/07/42/28/858074228.db2.gz IMFGTMYDCSZMJW-HDJSIYSDSA-N 0 0 422.254 4.242 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC3(CC2)CCS(=O)(=O)CC3)s1 ZINC000430204329 858081120 /nfs/dbraw/zinc/08/11/20/858081120.db2.gz QWEFSSDQQBEVDU-UHFFFAOYSA-N 0 0 420.556 4.114 20 5 HIBDRN O=C(CN1CCC[C@H]1c1ccc(Br)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000430242973 858094809 /nfs/dbraw/zinc/09/48/09/858094809.db2.gz KGZPDSSZGLRDJF-INIZCTEOSA-N 0 0 422.254 4.272 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN(Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430274828 858105010 /nfs/dbraw/zinc/10/50/10/858105010.db2.gz RZQLRCUQUKZDEV-UHFFFAOYSA-N 0 0 400.866 4.193 20 5 HIBDRN COc1cc(C(=O)N2CC(C)(C)Oc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000430340769 858127335 /nfs/dbraw/zinc/12/73/35/858127335.db2.gz DQSFNXPXOSNKJK-UHFFFAOYSA-N 0 0 408.357 4.023 20 5 HIBDRN CCc1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1C ZINC000430361610 858133921 /nfs/dbraw/zinc/13/39/21/858133921.db2.gz UPJHEYLXVXEWDH-UHFFFAOYSA-N 0 0 420.263 4.114 20 5 HIBDRN Cc1cc(OCC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000430406695 858147668 /nfs/dbraw/zinc/14/76/68/858147668.db2.gz MMVDMFAOASHUTP-CYBMUJFWSA-N 0 0 412.364 4.101 20 5 HIBDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000430426201 858156263 /nfs/dbraw/zinc/15/62/63/858156263.db2.gz MBHANJKNCWEFNY-XNJJOIOASA-N 0 0 404.264 4.274 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430434782 858160354 /nfs/dbraw/zinc/16/03/54/858160354.db2.gz ARTNHNORRTZNTH-YLJYHZDGSA-N 0 0 414.527 4.326 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430434775 858160374 /nfs/dbraw/zinc/16/03/74/858160374.db2.gz ARTNHNORRTZNTH-FXAWDEMLSA-N 0 0 414.527 4.326 20 5 HIBDRN Cc1ccc(-c2ncccc2NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000437654054 862991315 /nfs/dbraw/zinc/99/13/15/862991315.db2.gz LDLAAKUPYUMSTA-UHFFFAOYSA-N 0 0 403.485 4.011 20 5 HIBDRN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000430437775 858163063 /nfs/dbraw/zinc/16/30/63/858163063.db2.gz GQXRFHMKKFMJOR-MSOLQXFVSA-N 0 0 420.252 4.113 20 5 HIBDRN C[C@@H]1CC[C@H](N(C)C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000430472385 858184830 /nfs/dbraw/zinc/18/48/30/858184830.db2.gz MESSZFUQWUEBCU-WBVHZDCISA-N 0 0 409.486 4.152 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(c2ncccc2Cl)CC1 ZINC000430499304 858201192 /nfs/dbraw/zinc/20/11/92/858201192.db2.gz YYHDTOFJXBQBHH-UHFFFAOYSA-N 0 0 402.882 4.242 20 5 HIBDRN Cc1cccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1I ZINC000430522581 858207152 /nfs/dbraw/zinc/20/71/52/858207152.db2.gz DMONESFVHZWAKR-UHFFFAOYSA-N 0 0 424.238 4.173 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccccc2NC(=O)c2cccs2)ccc1[N+](=O)[O-] ZINC000430557433 858217188 /nfs/dbraw/zinc/21/71/88/858217188.db2.gz WRXXGNVBDFLXMP-UHFFFAOYSA-N 0 0 411.439 4.235 20 5 HIBDRN CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC000430611294 858235672 /nfs/dbraw/zinc/23/56/72/858235672.db2.gz NMMUCGNEVMBSEO-INIZCTEOSA-N 0 0 421.291 4.077 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000430616690 858236754 /nfs/dbraw/zinc/23/67/54/858236754.db2.gz GZBNVVLANKYGLM-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430628030 858240996 /nfs/dbraw/zinc/24/09/96/858240996.db2.gz NAMOGVZRMHIZEP-GXFFZTMASA-N 0 0 413.630 4.436 20 5 HIBDRN C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000430755612 858290982 /nfs/dbraw/zinc/29/09/82/858290982.db2.gz QPVHIBATWZNPFY-SNVBAGLBSA-N 0 0 411.805 4.271 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cc3c(cc2Br)CCC3)ccc1[N+](=O)[O-] ZINC000430795838 858307427 /nfs/dbraw/zinc/30/74/27/858307427.db2.gz IJUAKSFZJOVURM-UHFFFAOYSA-N 0 0 405.248 4.172 20 5 HIBDRN O=C(NCC1(Sc2ccccc2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430927337 858372295 /nfs/dbraw/zinc/37/22/95/858372295.db2.gz IGUBMMRNSMYDKM-UHFFFAOYSA-N 0 0 407.289 4.412 20 5 HIBDRN COc1ccc(-c2noc(-c3ccc(Br)cc3[N+](=O)[O-])n2)cc1OC ZINC000430970449 858385756 /nfs/dbraw/zinc/38/57/56/858385756.db2.gz HPTGFUCHOYELHG-UHFFFAOYSA-N 0 0 406.192 4.092 20 5 HIBDRN Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431028058 858409414 /nfs/dbraw/zinc/40/94/14/858409414.db2.gz MHUQTNBVKNAVPB-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000431139727 858466149 /nfs/dbraw/zinc/46/61/49/858466149.db2.gz RUXRDFGIRSQENL-GOEBONIOSA-N 0 0 412.243 4.191 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000431142124 858468169 /nfs/dbraw/zinc/46/81/69/858468169.db2.gz ZXXMAQBOLSVBLR-KRWDZBQOSA-N 0 0 407.239 4.403 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)c1 ZINC000431171584 858485518 /nfs/dbraw/zinc/48/55/18/858485518.db2.gz ZIFZNPXLBFCSPR-SWLSCSKDSA-N 0 0 407.289 4.365 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)nc(C(F)(F)F)n1 ZINC000431175773 858487609 /nfs/dbraw/zinc/48/76/09/858487609.db2.gz AYCUYNHXQBOZIJ-UHFFFAOYSA-N 0 0 419.157 4.035 20 5 HIBDRN Cc1c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc(Br)cc1[N+](=O)[O-] ZINC000431180057 858490153 /nfs/dbraw/zinc/49/01/53/858490153.db2.gz GENAYVQHJACGJW-OAHLLOKOSA-N 0 0 411.639 4.261 20 5 HIBDRN Cc1c(NC(=O)c2ccc(C(=O)NC(C)C)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000431185299 858493928 /nfs/dbraw/zinc/49/39/28/858493928.db2.gz XQBSKSNCWJLKIV-UHFFFAOYSA-N 0 0 420.263 4.056 20 5 HIBDRN CN(C(=O)COc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000431233668 858520780 /nfs/dbraw/zinc/52/07/80/858520780.db2.gz GMKDIGVKTCDUFM-INIZCTEOSA-N 0 0 419.275 4.272 20 5 HIBDRN CC(C)N(Cc1ccccc1)C(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000431235028 858522291 /nfs/dbraw/zinc/52/22/91/858522291.db2.gz JBPIHWBAZAEOCC-UHFFFAOYSA-N 0 0 407.264 4.173 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000437696157 863033366 /nfs/dbraw/zinc/03/33/66/863033366.db2.gz KHENLSQNLSVCTM-MAUKXSAKSA-N 0 0 424.906 4.003 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C12CCCCC2 ZINC000431328431 858567851 /nfs/dbraw/zinc/56/78/51/858567851.db2.gz WAUJZRWZDOUURN-JKSUJKDBSA-N 0 0 411.296 4.215 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000431329189 858568568 /nfs/dbraw/zinc/56/85/68/858568568.db2.gz QOUHMLLUUYZCNP-PIGZYNQJSA-N 0 0 423.238 4.099 20 5 HIBDRN CN(C(=O)[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000431334135 858570032 /nfs/dbraw/zinc/57/00/32/858570032.db2.gz VNRQSIZYLRMJKS-KRWDZBQOSA-N 0 0 409.486 4.017 20 5 HIBDRN O=C(NCCc1nc(-c2ccncc2)cs1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000431359251 858578435 /nfs/dbraw/zinc/57/84/35/858578435.db2.gz WWYLSWUEBXSCRJ-UHFFFAOYSA-N 0 0 403.851 4.131 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)ccc1[N+](=O)[O-] ZINC000431427808 858609946 /nfs/dbraw/zinc/60/99/46/858609946.db2.gz RCCKEIHKWDJHAH-UHFFFAOYSA-N 0 0 418.881 4.309 20 5 HIBDRN COc1ccc(CNC(=O)C[C@@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000431443397 858617772 /nfs/dbraw/zinc/61/77/72/858617772.db2.gz GOPMHDWKOHXBRN-GFCCVEGCSA-N 0 0 407.264 4.176 20 5 HIBDRN COc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2cccnc12 ZINC000431457387 858626765 /nfs/dbraw/zinc/62/67/65/858626765.db2.gz LUBGXBQOQKFJSC-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431457891 858626954 /nfs/dbraw/zinc/62/69/54/858626954.db2.gz JTMIEYFIGLHIHG-UHFFFAOYSA-N 0 0 420.263 4.056 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1OC ZINC000431459928 858627587 /nfs/dbraw/zinc/62/75/87/858627587.db2.gz PSLWQYHHKHLPEH-NSHDSACASA-N 0 0 423.263 4.174 20 5 HIBDRN CCOC(=O)CCc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431462913 858628350 /nfs/dbraw/zinc/62/83/50/858628350.db2.gz DOCFCOKVVQEHMK-UHFFFAOYSA-N 0 0 421.247 4.105 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431467399 858630594 /nfs/dbraw/zinc/63/05/94/858630594.db2.gz YIOXBVBUSCEZAT-KBXCAEBGSA-N 0 0 419.275 4.255 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000431489720 858641731 /nfs/dbraw/zinc/64/17/31/858641731.db2.gz ZRZSRTCZYDKCHK-INIZCTEOSA-N 0 0 407.239 4.344 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000437723177 863054286 /nfs/dbraw/zinc/05/42/86/863054286.db2.gz QYPRYTJCBKZDNY-KXBFYZLASA-N 0 0 424.906 4.003 20 5 HIBDRN Cc1nccc(-c2cccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2)n1 ZINC000431651833 858713731 /nfs/dbraw/zinc/71/37/31/858713731.db2.gz OSUMZFOQLRYKKQ-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN COc1cc(F)c([C@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000431657743 858718102 /nfs/dbraw/zinc/71/81/02/858718102.db2.gz DTAFKAZZBODSNV-LBPRGKRZSA-N 0 0 405.426 4.047 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1cc(F)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000431668337 858725991 /nfs/dbraw/zinc/72/59/91/858725991.db2.gz XGTLLXDWTWDDCE-INIZCTEOSA-N 0 0 408.813 4.200 20 5 HIBDRN CC(C)(C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000431721687 858763067 /nfs/dbraw/zinc/76/30/67/858763067.db2.gz FEJRUTRTGIYOHN-UHFFFAOYSA-N 0 0 415.921 4.260 20 5 HIBDRN CC(C)(NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000431771522 858804064 /nfs/dbraw/zinc/80/40/64/858804064.db2.gz INAYAMTZOMJACV-HXUWFJFHSA-N 0 0 411.458 4.052 20 5 HIBDRN CC(C)(NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000431770278 858804114 /nfs/dbraw/zinc/80/41/14/858804114.db2.gz KEFRPQXANJQJHC-UHFFFAOYSA-N 0 0 419.485 4.004 20 5 HIBDRN Cc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 ZINC000431890703 858858508 /nfs/dbraw/zinc/85/85/08/858858508.db2.gz STYNAKINJASVAK-UHFFFAOYSA-N 0 0 408.380 4.172 20 5 HIBDRN Cc1c([C@H](C)NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000431904538 858863615 /nfs/dbraw/zinc/86/36/15/858863615.db2.gz SWOMSPWJZKJAHB-AWEZNQCLSA-N 0 0 410.449 4.383 20 5 HIBDRN Cc1ccc([C@H](C)N2C(=O)[C@H](c3cc(F)c(F)c(F)c3)N(C)C2=O)cc1[N+](=O)[O-] ZINC000431954901 858885738 /nfs/dbraw/zinc/88/57/38/858885738.db2.gz OLSLYQAKPROTIP-BTDLBPIBSA-N 0 0 407.348 4.017 20 5 HIBDRN COc1ccccc1CSc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000432097886 858988209 /nfs/dbraw/zinc/98/82/09/858988209.db2.gz XDXWXIPZYMWTJM-UHFFFAOYSA-N 0 0 412.471 4.039 20 5 HIBDRN O=[N+]([O-])c1cccc2c(N3C[C@H]4CCC[C@@]4(c4nc(CC5CC5)no4)C3)ccnc21 ZINC000432156468 859021156 /nfs/dbraw/zinc/02/11/56/859021156.db2.gz OFTZLPKMGHVAPH-IVZQSRNASA-N 0 0 405.458 4.037 20 5 HIBDRN Cc1nc(NC2(Cc3ccc(F)cc3Br)CCOCC2)ccc1[N+](=O)[O-] ZINC000432162618 859024876 /nfs/dbraw/zinc/02/48/76/859024876.db2.gz LKRIRSXILBWAMT-UHFFFAOYSA-N 0 0 424.270 4.404 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N(CCCO)Cc1ccccn1 ZINC000432165736 859025489 /nfs/dbraw/zinc/02/54/89/859025489.db2.gz IKHPKOHYZVSRED-UHFFFAOYSA-N 0 0 422.441 4.199 20 5 HIBDRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)o1 ZINC000432191810 859039446 /nfs/dbraw/zinc/03/94/46/859039446.db2.gz KPJPYMLXZSQLDO-KBXCAEBGSA-N 0 0 409.442 4.423 20 5 HIBDRN COc1cccc2sc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)nc21 ZINC000432198176 859043163 /nfs/dbraw/zinc/04/31/63/859043163.db2.gz KKELWAIHPFXTFZ-UHFFFAOYSA-N 0 0 408.233 4.228 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCc1ccccn1)Cc1cccnc1 ZINC000432245985 859066112 /nfs/dbraw/zinc/06/61/12/859066112.db2.gz LVVUSQFWDLJBEG-UHFFFAOYSA-N 0 0 405.458 4.278 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1CC(=O)c1cccs1 ZINC000432297992 859091612 /nfs/dbraw/zinc/09/16/12/859091612.db2.gz UTMPGGAQMMQTPH-UKRRQHHQSA-N 0 0 404.513 4.401 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(CNc3c(Cl)cccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000432312914 859098045 /nfs/dbraw/zinc/09/80/45/859098045.db2.gz PZEUDYWORVMDEK-KBPBESRZSA-N 0 0 403.866 4.110 20 5 HIBDRN Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000432342067 859110168 /nfs/dbraw/zinc/11/01/68/859110168.db2.gz FQUZUJICUOAHEZ-UHFFFAOYSA-N 0 0 413.293 4.269 20 5 HIBDRN O=[N+]([O-])c1cccc2c(N3CCO[C@@H](c4ccc(OC(F)F)cc4)C3)ccnc21 ZINC000432346936 859113404 /nfs/dbraw/zinc/11/34/04/859113404.db2.gz MQMCBPYMOQMGAC-GOSISDBHSA-N 0 0 401.369 4.322 20 5 HIBDRN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1OCC(F)F ZINC000432497484 859194328 /nfs/dbraw/zinc/19/43/28/859194328.db2.gz POWZDMJJSJAMGO-UHFFFAOYSA-N 0 0 417.368 4.113 20 5 HIBDRN COc1cc(C(=O)N2CC3(CCCC3)c3cccc(F)c32)cc([N+](=O)[O-])c1OC ZINC000432564901 859229331 /nfs/dbraw/zinc/22/93/31/859229331.db2.gz FTKNWGFNJNRVMS-UHFFFAOYSA-N 0 0 400.406 4.223 20 5 HIBDRN CCCc1c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cnn1-c1ccc(C)cc1 ZINC000432582369 859239291 /nfs/dbraw/zinc/23/92/91/859239291.db2.gz VCOMZCRYFJKLNE-UHFFFAOYSA-N 0 0 422.441 4.065 20 5 HIBDRN Cc1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OCC(=O)N(C)C)c1 ZINC000432619297 859258170 /nfs/dbraw/zinc/25/81/70/859258170.db2.gz DROGQQHELREKQN-UHFFFAOYSA-N 0 0 409.442 4.242 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)c(C)c([N+](=O)[O-])c1 ZINC000432621198 859259194 /nfs/dbraw/zinc/25/91/94/859259194.db2.gz VWYDMDPQVZUQHM-NRFANRHFSA-N 0 0 415.421 4.024 20 5 HIBDRN CCOC(=O)c1cccc(N(CC)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000432647865 859272005 /nfs/dbraw/zinc/27/20/05/859272005.db2.gz HPGNRUIPTJWQQL-UHFFFAOYSA-N 0 0 421.247 4.201 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(c2cccc(O)c2)CC1 ZINC000432824902 859375328 /nfs/dbraw/zinc/37/53/28/859375328.db2.gz UAXMQDHVDOUHIY-UHFFFAOYSA-N 0 0 419.437 4.055 20 5 HIBDRN COc1cc(C(=O)Nc2c(C)cc(C)cc2Br)cc([N+](=O)[O-])c1OC ZINC000432870269 859398585 /nfs/dbraw/zinc/39/85/85/859398585.db2.gz DPJSFZOGLUMMHV-UHFFFAOYSA-N 0 0 409.236 4.244 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000433027487 859486903 /nfs/dbraw/zinc/48/69/03/859486903.db2.gz LFZJHIMRPMQDMI-ASHKIFAZSA-N 0 0 408.907 4.241 20 5 HIBDRN Cc1cnc(C2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)s1 ZINC000433133514 859534220 /nfs/dbraw/zinc/53/42/20/859534220.db2.gz DRLDKWNKXIVAQG-LBPRGKRZSA-N 0 0 408.911 4.220 20 5 HIBDRN COc1ccc([C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2nccn2C)cc1 ZINC000433137494 859535851 /nfs/dbraw/zinc/53/58/51/859535851.db2.gz UCGVOZLVUNJJQX-SFTDATJTSA-N 0 0 406.486 4.439 20 5 HIBDRN O=C(Nc1nc(-c2cccc(O)c2)cs1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433228648 859579945 /nfs/dbraw/zinc/57/99/45/859579945.db2.gz PTHDPDFMTFXVDB-UHFFFAOYSA-N 0 0 420.244 4.439 20 5 HIBDRN CCn1nccc1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000433575252 859788445 /nfs/dbraw/zinc/78/84/45/859788445.db2.gz RUQGNBDRPVPBPG-UHFFFAOYSA-N 0 0 411.384 4.242 20 5 HIBDRN CC(C)c1[nH]nc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)c1[N+](=O)[O-] ZINC000433625653 859815775 /nfs/dbraw/zinc/81/57/75/859815775.db2.gz MUGNURQTNIHEHL-UHFFFAOYSA-N 0 0 410.365 4.485 20 5 HIBDRN O=C(c1cc(N2CCC(OCC3CCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000433628654 859816714 /nfs/dbraw/zinc/81/67/14/859816714.db2.gz OCIYXNDPJPQFJA-UHFFFAOYSA-N 0 0 401.507 4.006 20 5 HIBDRN O=C(C[C@@H]1C=CCC1)Nc1ccccc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433697952 859841973 /nfs/dbraw/zinc/84/19/73/859841973.db2.gz SBOPNPKDKOFTHK-IIBYNOLFSA-N 0 0 420.469 4.107 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H](CC(F)(F)F)C3)cc2[N+](=O)[O-])C1 ZINC000433730688 859860734 /nfs/dbraw/zinc/86/07/34/859860734.db2.gz UVGXHDJTPFGNMY-ZNMIVQPWSA-N 0 0 413.440 4.492 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000433750090 859874735 /nfs/dbraw/zinc/87/47/35/859874735.db2.gz RVOYQRFWIGAHIH-UHFFFAOYSA-N 0 0 423.260 4.245 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1[N+](=O)[O-] ZINC000433834237 859921402 /nfs/dbraw/zinc/92/14/02/859921402.db2.gz BCNDULDJDHMJRH-UHFFFAOYSA-N 0 0 417.853 4.256 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)c1[N+](=O)[O-] ZINC000433848520 859931715 /nfs/dbraw/zinc/93/17/15/859931715.db2.gz KORBOLZVRZWLNG-UHFFFAOYSA-N 0 0 415.837 4.321 20 5 HIBDRN Cc1c(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])noc1-c1ccccc1F ZINC000433923942 859975146 /nfs/dbraw/zinc/97/51/46/859975146.db2.gz ZOELDUNKPLZXSG-UHFFFAOYSA-N 0 0 418.812 4.715 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cccc(COCCc3ccccc3)c2)c1[N+](=O)[O-] ZINC000433982400 860015511 /nfs/dbraw/zinc/01/55/11/860015511.db2.gz DKHJOAWMINZFFF-UHFFFAOYSA-N 0 0 408.458 4.453 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCC2(c3cccc(Br)c3)CCC2)c1[N+](=O)[O-] ZINC000433991596 860022597 /nfs/dbraw/zinc/02/25/97/860022597.db2.gz XBKUZQKCWQKCQX-UHFFFAOYSA-N 0 0 421.295 4.056 20 5 HIBDRN CC(C)[C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccnc1 ZINC000434167243 860161949 /nfs/dbraw/zinc/16/19/49/860161949.db2.gz KEAXWJINJGEYEY-INIZCTEOSA-N 0 0 424.423 4.367 20 5 HIBDRN CC(C)[C@@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000434168279 860162968 /nfs/dbraw/zinc/16/29/68/860162968.db2.gz UDHUYHSFJCNGJT-HXUWFJFHSA-N 0 0 410.518 4.396 20 5 HIBDRN COc1ccc(-c2cc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)[nH]n2)cc1OC ZINC000434189156 860179064 /nfs/dbraw/zinc/17/90/64/860179064.db2.gz AVURLMVGDPEXNN-UHFFFAOYSA-N 0 0 424.457 4.053 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N(Cc2cccc(Br)c2)C(C)C)c1[N+](=O)[O-] ZINC000434226469 860211911 /nfs/dbraw/zinc/21/19/11/860211911.db2.gz BXEOCGBTYWJURX-UHFFFAOYSA-N 0 0 409.284 4.255 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434248272 860227494 /nfs/dbraw/zinc/22/74/94/860227494.db2.gz HTERRHWIOMNJKY-UHFFFAOYSA-N 0 0 408.845 4.363 20 5 HIBDRN Cc1nn(CCC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000434248437 860229028 /nfs/dbraw/zinc/22/90/28/860229028.db2.gz IKRJZZJNQCNIHU-UHFFFAOYSA-N 0 0 406.433 4.048 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434250831 860229462 /nfs/dbraw/zinc/22/94/62/860229462.db2.gz SJPSWYPXVYWDKN-UHFFFAOYSA-N 0 0 408.845 4.363 20 5 HIBDRN C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000434250281 860230068 /nfs/dbraw/zinc/23/00/68/860230068.db2.gz QOVGWSWDUOAIME-QHCPKHFHSA-N 0 0 404.470 4.266 20 5 HIBDRN O=C(C[C@H]1CCCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000434254393 860232898 /nfs/dbraw/zinc/23/28/98/860232898.db2.gz CMOICZGCSNINCL-OAHLLOKOSA-N 0 0 404.850 4.428 20 5 HIBDRN C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000434291639 860256270 /nfs/dbraw/zinc/25/62/70/860256270.db2.gz FLSABDVYMFZOQS-OWCLPIDISA-N 0 0 413.474 4.061 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c1[N+](=O)[O-] ZINC000467719668 881517274 /nfs/dbraw/zinc/51/72/74/881517274.db2.gz DNMNEFBHUFFUHX-UHFFFAOYSA-N 0 0 405.414 4.255 20 5 HIBDRN CCCOc1cccc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000434312625 860273123 /nfs/dbraw/zinc/27/31/23/860273123.db2.gz OCWOAJHKUGSTOZ-UHFFFAOYSA-N 0 0 421.291 4.048 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1OC(C)C ZINC000434332230 860294257 /nfs/dbraw/zinc/29/42/57/860294257.db2.gz HYLGLMFVLUCELB-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000434361247 860311315 /nfs/dbraw/zinc/31/13/15/860311315.db2.gz VSEHOAYHWDJKEI-INIZCTEOSA-N 0 0 416.909 4.007 20 5 HIBDRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000434377816 860323348 /nfs/dbraw/zinc/32/33/48/860323348.db2.gz QPLZAERVTAPVNQ-MRXNPFEDSA-N 0 0 412.490 4.279 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000434634366 860441274 /nfs/dbraw/zinc/44/12/74/860441274.db2.gz AMJLQZKBTXBXKO-UHFFFAOYSA-N 0 0 403.378 4.127 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] ZINC000434635180 860441583 /nfs/dbraw/zinc/44/15/83/860441583.db2.gz FHFKSHAUIHCBOK-UHFFFAOYSA-N 0 0 404.271 4.415 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] ZINC000434639594 860442279 /nfs/dbraw/zinc/44/22/79/860442279.db2.gz YZPJRBMMOXKCQI-UHFFFAOYSA-N 0 0 404.271 4.415 20 5 HIBDRN O=C(CN[C@H](c1cc(F)ccc1F)C(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000434662700 860450322 /nfs/dbraw/zinc/45/03/22/860450322.db2.gz IZFAXQLVYIAKSS-OAHLLOKOSA-N 0 0 405.735 4.061 20 5 HIBDRN O=C(CN[C@H](c1cc(F)ccc1F)C(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000434668165 860452831 /nfs/dbraw/zinc/45/28/31/860452831.db2.gz YIUDUPLSWRMIHJ-OAHLLOKOSA-N 0 0 405.735 4.061 20 5 HIBDRN CCn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1-c1ccccc1OC ZINC000434794903 860496899 /nfs/dbraw/zinc/49/68/99/860496899.db2.gz GWIMAWSFEACEHU-UHFFFAOYSA-N 0 0 411.443 4.315 20 5 HIBDRN C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000434907129 860549967 /nfs/dbraw/zinc/54/99/67/860549967.db2.gz WBMJLHCBLHBEJK-XJKSGUPXSA-N 0 0 418.291 4.174 20 5 HIBDRN CCOc1ccccc1CN(CCCn1ccnc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434941896 860566234 /nfs/dbraw/zinc/56/62/34/860566234.db2.gz GHSOQJYKHDHHOK-UHFFFAOYSA-N 0 0 415.881 4.335 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1=CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000435057423 860619912 /nfs/dbraw/zinc/61/99/12/860619912.db2.gz BSVCDBAPDHTNHO-UHFFFAOYSA-N 0 0 416.481 4.063 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000435066636 860625736 /nfs/dbraw/zinc/62/57/36/860625736.db2.gz WBPHNIFAAXVVRE-UHFFFAOYSA-N 0 0 422.224 4.399 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000467753776 881566436 /nfs/dbraw/zinc/56/64/36/881566436.db2.gz RXEIWKGGTBVGTI-IWKCEXAMSA-N 0 0 406.548 4.499 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc3sc(C)nc3cc2Cl)cc1[N+](=O)[O-] ZINC000435181068 860682689 /nfs/dbraw/zinc/68/26/89/860682689.db2.gz KDWWFPJWNDHTFH-UHFFFAOYSA-N 0 0 406.851 4.497 20 5 HIBDRN CCc1cc(C)cc(CC)c1NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000435192307 860688816 /nfs/dbraw/zinc/68/88/16/860688816.db2.gz HJWDLBCZZHOMFY-UHFFFAOYSA-N 0 0 415.490 4.409 20 5 HIBDRN O=C(Nc1cc(F)c(F)cc1Br)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435254415 860705372 /nfs/dbraw/zinc/70/53/72/860705372.db2.gz RVWOSZHKXUFNCZ-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(F)c(F)cc1Br ZINC000435257937 860705850 /nfs/dbraw/zinc/70/58/50/860705850.db2.gz YGBLYKKLUOVLOH-UHFFFAOYSA-N 0 0 400.179 4.076 20 5 HIBDRN O=C(Nc1cc(F)c(F)cc1Br)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000435264898 860708817 /nfs/dbraw/zinc/70/88/17/860708817.db2.gz YAKNRDFTTONFSF-UHFFFAOYSA-N 0 0 412.190 4.462 20 5 HIBDRN COCC[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000435322618 860735098 /nfs/dbraw/zinc/73/50/98/860735098.db2.gz FIZQFTXEJQUTPC-LBPRGKRZSA-N 0 0 412.240 4.158 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000435325473 860736692 /nfs/dbraw/zinc/73/66/92/860736692.db2.gz AIMQPNVRUCUWBZ-JTQLQIEISA-N 0 0 418.251 4.425 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@H](OCC3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435327798 860739038 /nfs/dbraw/zinc/73/90/38/860739038.db2.gz IVKXWFPTKFQOJN-AWEZNQCLSA-N 0 0 412.284 4.089 20 5 HIBDRN Cc1c(NC(=O)N[C@H](C)CNc2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000435331223 860742291 /nfs/dbraw/zinc/74/22/91/860742291.db2.gz ZHJOKFRVFPAHNC-LLVKDONJSA-N 0 0 407.268 4.288 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](C)[C@H]2COc3ccccc32)cc(Br)cc1[N+](=O)[O-] ZINC000435331296 860742349 /nfs/dbraw/zinc/74/23/49/860742349.db2.gz ZYQBIARXFJCGQH-SMDDNHRTSA-N 0 0 420.263 4.352 20 5 HIBDRN COc1cccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1OC ZINC000435331297 860742460 /nfs/dbraw/zinc/74/24/60/860742460.db2.gz ZZGINHDBSPTBEA-UHFFFAOYSA-N 0 0 424.251 4.005 20 5 HIBDRN CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435330917 860742492 /nfs/dbraw/zinc/74/24/92/860742492.db2.gz XGQJOYUJMXNQLF-AWEZNQCLSA-N 0 0 414.300 4.479 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](c2cccnc2)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435334354 860745444 /nfs/dbraw/zinc/74/54/44/860745444.db2.gz ZAKYRRCRQZCMTF-MRXNPFEDSA-N 0 0 405.252 4.334 20 5 HIBDRN Cc1c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1ccccc1 ZINC000435346508 860751447 /nfs/dbraw/zinc/75/14/47/860751447.db2.gz BXBBMSAPVWBCHA-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Br)c1F ZINC000435516047 860834060 /nfs/dbraw/zinc/83/40/60/860834060.db2.gz RQAOQTVALGFFBX-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN Cc1c(Cl)cc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1Cl ZINC000435519135 860837481 /nfs/dbraw/zinc/83/74/81/860837481.db2.gz LWVFECYLOQZWMF-UHFFFAOYSA-N 0 0 422.224 4.116 20 5 HIBDRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000435528314 860844968 /nfs/dbraw/zinc/84/49/68/860844968.db2.gz VKUXHTXYSVHDEA-HXUWFJFHSA-N 0 0 424.428 4.465 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)c1[N+](=O)[O-] ZINC000435545947 860861236 /nfs/dbraw/zinc/86/12/36/860861236.db2.gz NCXNFWDPGQLVBF-UHFFFAOYSA-N 0 0 413.361 4.149 20 5 HIBDRN COc1cccc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000435550698 860865788 /nfs/dbraw/zinc/86/57/88/860865788.db2.gz GZWPBTUOSJATGM-HNNXBMFYSA-N 0 0 419.437 4.347 20 5 HIBDRN CC(C)(C)C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000435557152 860877170 /nfs/dbraw/zinc/87/71/70/860877170.db2.gz HLAWSMRWSVHMGJ-KRWDZBQOSA-N 0 0 423.469 4.156 20 5 HIBDRN COc1ccc(-c2ncc(C(=O)Nc3ccc([N+](=O)[O-])cc3F)s2)cc1OC ZINC000435753341 861033383 /nfs/dbraw/zinc/03/33/83/861033383.db2.gz QQQIRJPXPYLEAL-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN COc1cccc(C(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1[N+](=O)[O-] ZINC000435811971 861077330 /nfs/dbraw/zinc/07/73/30/861077330.db2.gz VIVAZLTWWTUAFB-OAHLLOKOSA-N 0 0 400.822 4.110 20 5 HIBDRN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435816214 861080128 /nfs/dbraw/zinc/08/01/28/861080128.db2.gz IKJQFWLKGAVCTE-QFIPXVFZSA-N 0 0 415.493 4.231 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000435820311 861085822 /nfs/dbraw/zinc/08/58/22/861085822.db2.gz VBUCPPFHGIKZMD-UHFFFAOYSA-N 0 0 411.355 4.013 20 5 HIBDRN COc1cccc(-n2c(NC(=O)c3cccc(OC)c3[N+](=O)[O-])nc3ccccc32)c1 ZINC000435827355 861092417 /nfs/dbraw/zinc/09/24/17/861092417.db2.gz ONZTXQISSRASQF-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN Cc1ccc(OCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000435829507 861093611 /nfs/dbraw/zinc/09/36/11/861093611.db2.gz VZWJZRVKDUAIOZ-UHFFFAOYSA-N 0 0 408.404 4.077 20 5 HIBDRN O=C(NCCc1c[nH]c2ccccc12)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435831032 861095326 /nfs/dbraw/zinc/09/53/26/861095326.db2.gz LZKLSFPIGQKFLN-UHFFFAOYSA-N 0 0 417.415 4.413 20 5 HIBDRN C[C@H]1C[C@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435832783 861095631 /nfs/dbraw/zinc/09/56/31/861095631.db2.gz CSHWUKFOESOSRX-RYUDHWBXSA-N 0 0 405.501 4.003 20 5 HIBDRN CC[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000435873199 861133233 /nfs/dbraw/zinc/13/32/33/861133233.db2.gz UGRYAXCCDXLDGJ-ZDUSSCGKSA-N 0 0 421.291 4.365 20 5 HIBDRN Cc1cc(S(=O)(=O)Nc2c(F)cc(Br)cc2Cl)ccc1[N+](=O)[O-] ZINC000435891279 861147947 /nfs/dbraw/zinc/14/79/47/861147947.db2.gz DBOGNECTDXUZDL-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN COc1cccc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000435900496 861157688 /nfs/dbraw/zinc/15/76/88/861157688.db2.gz BLYUUMUCNDVTKX-CQSZACIVSA-N 0 0 404.850 4.188 20 5 HIBDRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000435903165 861161672 /nfs/dbraw/zinc/16/16/72/861161672.db2.gz PSZWSCWLNBHJQI-UHFFFAOYSA-N 0 0 424.784 4.101 20 5 HIBDRN COc1cc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] ZINC000435904887 861163798 /nfs/dbraw/zinc/16/37/98/861163798.db2.gz AFALXSUMPQTPRX-UHFFFAOYSA-N 0 0 424.784 4.101 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000437762818 863082794 /nfs/dbraw/zinc/08/27/94/863082794.db2.gz JSIWQJMRVGFTGG-HIFRSBDPSA-N 0 0 411.792 4.205 20 5 HIBDRN Cc1nccn1CCCN(C)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000437782321 863100589 /nfs/dbraw/zinc/10/05/89/863100589.db2.gz GQOMPTLAKBDNKW-UHFFFAOYSA-N 0 0 409.446 4.446 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)o1 ZINC000437787110 863103904 /nfs/dbraw/zinc/10/39/04/863103904.db2.gz PQUMZCYBBCICLQ-UHFFFAOYSA-N 0 0 407.430 4.404 20 5 HIBDRN Cc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C(=O)NC(C)C ZINC000437805346 863127165 /nfs/dbraw/zinc/12/71/65/863127165.db2.gz DLSFOEDJBLFXBC-UHFFFAOYSA-N 0 0 410.474 4.238 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000437894469 863263005 /nfs/dbraw/zinc/26/30/05/863263005.db2.gz GPHNJLCSLOYKPQ-JKSUJKDBSA-N 0 0 404.264 4.055 20 5 HIBDRN Cc1nc2ccccc2n1CCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437927698 863304211 /nfs/dbraw/zinc/30/42/11/863304211.db2.gz OFYSYMPBILGQHT-UHFFFAOYSA-N 0 0 406.364 4.092 20 5 HIBDRN O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000437943138 863318846 /nfs/dbraw/zinc/31/88/46/863318846.db2.gz SJIOLDAGLQANCU-CYBMUJFWSA-N 0 0 414.302 4.387 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000437951462 863325127 /nfs/dbraw/zinc/32/51/27/863325127.db2.gz XGJWRAUBMBBOSL-UHFFFAOYSA-N 0 0 410.352 4.396 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000437988860 863352812 /nfs/dbraw/zinc/35/28/12/863352812.db2.gz UJFIVILPMCLFES-UHFFFAOYSA-N 0 0 419.485 4.272 20 5 HIBDRN O=C(NCCCc1nc2c(s1)CCCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438012542 863371761 /nfs/dbraw/zinc/37/17/61/863371761.db2.gz NBPYEYSXYYSMTL-UHFFFAOYSA-N 0 0 414.531 4.237 20 5 HIBDRN Cn1cc(Nc2cccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2)cn1 ZINC000438032656 863393753 /nfs/dbraw/zinc/39/37/53/863393753.db2.gz HHBXTOSQYJPDMG-UHFFFAOYSA-N 0 0 405.336 4.343 20 5 HIBDRN O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438044479 863406748 /nfs/dbraw/zinc/40/67/48/863406748.db2.gz MTCYYFJTGZEVIZ-IRLDBZIGSA-N 0 0 409.486 4.407 20 5 HIBDRN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438054660 863422702 /nfs/dbraw/zinc/42/27/02/863422702.db2.gz WQMSBFUMQUJPIZ-UHFFFAOYSA-N 0 0 423.322 4.380 20 5 HIBDRN COC(=O)c1ccc(COc2ccccc2CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000438088284 863491323 /nfs/dbraw/zinc/49/13/23/863491323.db2.gz JFWUYJCMMGYNSZ-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN CCOc1cc(NC(=O)NC2CCC3(CCOCC3)CC2)c([N+](=O)[O-])cc1OCC ZINC000438336593 863810754 /nfs/dbraw/zinc/81/07/54/863810754.db2.gz AYEWZVHFBUAXRF-UHFFFAOYSA-N 0 0 421.494 4.253 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000438387032 863840100 /nfs/dbraw/zinc/84/01/00/863840100.db2.gz UJFNMAZXFRELGR-MAUKXSAKSA-N 0 0 407.392 4.488 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000438387341 863840705 /nfs/dbraw/zinc/84/07/05/863840705.db2.gz LQOKDRXLFJAUEG-MAUKXSAKSA-N 0 0 405.376 4.242 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1N(C)C(C)C ZINC000438462212 863885464 /nfs/dbraw/zinc/88/54/64/863885464.db2.gz PYQCOSYIBFXHOU-UHFFFAOYSA-N 0 0 417.531 4.108 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1SC ZINC000438466715 863888701 /nfs/dbraw/zinc/88/87/01/863888701.db2.gz NYPVJEKUCPDGRV-QWRGUYRKSA-N 0 0 406.426 4.424 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000438481154 863897654 /nfs/dbraw/zinc/89/76/54/863897654.db2.gz CMOQPGHARLVGIM-ZDUSSCGKSA-N 0 0 423.429 4.317 20 5 HIBDRN CCc1nc2cc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)ccc2o1 ZINC000438498424 863918613 /nfs/dbraw/zinc/91/86/13/863918613.db2.gz MUWKGSDTECZTDI-UHFFFAOYSA-N 0 0 410.430 4.374 20 5 HIBDRN CC1(C)CCC[C@](O)(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000438499536 863920722 /nfs/dbraw/zinc/92/07/22/863920722.db2.gz WRUKZVWJFYWDHI-HSZRJFAPSA-N 0 0 414.452 4.021 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NC3CCC4(CCOCC4)CC3)cc2[N+](=O)[O-])C1 ZINC000438508248 863931782 /nfs/dbraw/zinc/93/17/82/863931782.db2.gz LRVWSUGEYWEMRJ-KRWDZBQOSA-N 0 0 415.534 4.300 20 5 HIBDRN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438511832 863936788 /nfs/dbraw/zinc/93/67/88/863936788.db2.gz LFZUDJURRKZOEA-ZBFHGGJFSA-N 0 0 413.440 4.296 20 5 HIBDRN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000438517436 863942686 /nfs/dbraw/zinc/94/26/86/863942686.db2.gz QBDKWDIESPWKGN-OAHLLOKOSA-N 0 0 414.531 4.164 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000438545635 863973730 /nfs/dbraw/zinc/97/37/30/863973730.db2.gz BFCNDJFZVPMLHX-DJJJIMSYSA-N 0 0 404.850 4.077 20 5 HIBDRN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000438546453 863974352 /nfs/dbraw/zinc/97/43/52/863974352.db2.gz MFBNAIOILWRGAV-VHSXEESVSA-N 0 0 409.202 4.456 20 5 HIBDRN Cc1cc(C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)cc([N+](=O)[O-])c1 ZINC000438635349 864066386 /nfs/dbraw/zinc/06/63/86/864066386.db2.gz LESJCHJQXUJZCK-INIZCTEOSA-N 0 0 405.248 4.262 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000438636905 864069928 /nfs/dbraw/zinc/06/99/28/864069928.db2.gz QIPRVDQXHMOAJG-INIZCTEOSA-N 0 0 405.248 4.262 20 5 HIBDRN Cc1sc(C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000438643527 864080745 /nfs/dbraw/zinc/08/07/45/864080745.db2.gz UVRJSRUXQZVSET-LBPRGKRZSA-N 0 0 411.277 4.323 20 5 HIBDRN CSc1cccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000438647021 864085759 /nfs/dbraw/zinc/08/57/59/864085759.db2.gz GJFZLCDSPLPUNW-UHFFFAOYSA-N 0 0 401.488 4.001 20 5 HIBDRN O=C(Nc1cccc(Oc2ccccn2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438662725 864112960 /nfs/dbraw/zinc/11/29/60/864112960.db2.gz YQYQWGPCRIKUNI-UHFFFAOYSA-N 0 0 419.441 4.136 20 5 HIBDRN O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438669942 864130208 /nfs/dbraw/zinc/13/02/08/864130208.db2.gz BNHCIORPRCDCDW-TZIWHRDSSA-N 0 0 407.514 4.339 20 5 HIBDRN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000438915128 864393682 /nfs/dbraw/zinc/39/36/82/864393682.db2.gz XEHDRXRXRPORTI-MRXNPFEDSA-N 0 0 401.894 4.050 20 5 HIBDRN CCOc1cc(C(=O)NCc2cc(Br)ccc2C)c([N+](=O)[O-])cc1OC ZINC000438928288 864408115 /nfs/dbraw/zinc/40/81/15/864408115.db2.gz HMGYUFSLCVNRIV-UHFFFAOYSA-N 0 0 423.263 4.003 20 5 HIBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cccc(Sc2ccc(Cl)cc2)c1 ZINC000438929333 864409652 /nfs/dbraw/zinc/40/96/52/864409652.db2.gz KEFOLGPXMCQHNM-UHFFFAOYSA-N 0 0 415.858 4.200 20 5 HIBDRN Cc1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000438936589 864413444 /nfs/dbraw/zinc/41/34/44/864413444.db2.gz LOOZPBVFVSVILU-UHFFFAOYSA-N 0 0 405.241 4.956 20 5 HIBDRN Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000438956041 864426869 /nfs/dbraw/zinc/42/68/69/864426869.db2.gz DHTISWXPUFOGHH-UHFFFAOYSA-N 0 0 409.486 4.061 20 5 HIBDRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)ccc2NC1=O ZINC000438969541 864435603 /nfs/dbraw/zinc/43/56/03/864435603.db2.gz QFSRXNXURMDMOW-BFUOFWGJSA-N 0 0 411.458 4.319 20 5 HIBDRN COc1cccc(-c2noc([C@H](C)NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)n2)c1 ZINC000438970771 864437183 /nfs/dbraw/zinc/43/71/83/864437183.db2.gz SPICXKPAKVOUKU-ZDUSSCGKSA-N 0 0 410.430 4.268 20 5 HIBDRN CCCOc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)c(OC(F)F)c1 ZINC000438973609 864438736 /nfs/dbraw/zinc/43/87/36/864438736.db2.gz LDHXOTHIXHYBHZ-UHFFFAOYSA-N 0 0 408.401 4.152 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)Cc4cccc([N+](=O)[O-])c4C)CC3)c2c1 ZINC000439054292 864505392 /nfs/dbraw/zinc/50/53/92/864505392.db2.gz YDRWTWVMCCMZJB-UHFFFAOYSA-N 0 0 405.454 4.252 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000439099431 864539198 /nfs/dbraw/zinc/53/91/98/864539198.db2.gz STDCOEKTMFSLTQ-NSHDSACASA-N 0 0 409.364 4.394 20 5 HIBDRN CCCN(C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000439104426 864542080 /nfs/dbraw/zinc/54/20/80/864542080.db2.gz CPYBXNLQZWGKBX-AWEZNQCLSA-N 0 0 403.866 4.436 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000439106372 864544992 /nfs/dbraw/zinc/54/49/92/864544992.db2.gz MFZSGYYHQWETNH-UHFFFAOYSA-N 0 0 402.878 4.421 20 5 HIBDRN COc1ccc(C(C)(C)CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000439108959 864545641 /nfs/dbraw/zinc/54/56/41/864545641.db2.gz PWFCNNIFEIJRDJ-UHFFFAOYSA-N 0 0 406.866 4.281 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000439108759 864546279 /nfs/dbraw/zinc/54/62/79/864546279.db2.gz UHLGYBCNXPQYAN-UHFFFAOYSA-N 0 0 410.474 4.060 20 5 HIBDRN Cc1sc(NC(=O)c2cccc(C(=O)NC3CC3)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000439109981 864546919 /nfs/dbraw/zinc/54/69/19/864546919.db2.gz SYEYBRYKXYSQPZ-UHFFFAOYSA-N 0 0 422.466 4.171 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000439111436 864548509 /nfs/dbraw/zinc/54/85/09/864548509.db2.gz MGXGARKSILHJMH-UHFFFAOYSA-N 0 0 424.844 4.134 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000439124255 864560203 /nfs/dbraw/zinc/56/02/03/864560203.db2.gz PEAARCRTAOJSCX-OAHLLOKOSA-N 0 0 409.486 4.265 20 5 HIBDRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C1(Cc2ccccc2Cl)CC1 ZINC000439127142 864563075 /nfs/dbraw/zinc/56/30/75/864563075.db2.gz AUCZZNIPAJBXRL-UHFFFAOYSA-N 0 0 402.834 4.371 20 5 HIBDRN CCOC(=O)c1ccnc(N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c1[N+](=O)[O-] ZINC000439134733 864568191 /nfs/dbraw/zinc/56/81/91/864568191.db2.gz WAXABGKZLJDJIB-SFHVURJKSA-N 0 0 421.457 4.288 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1[N+](=O)[O-] ZINC000439146015 864577718 /nfs/dbraw/zinc/57/77/18/864577718.db2.gz KTYHPAWHLJNPRT-UHFFFAOYSA-N 0 0 403.866 4.461 20 5 HIBDRN Cc1ccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000439160324 864590981 /nfs/dbraw/zinc/59/09/81/864590981.db2.gz LGZJPJQHPLQVKX-KRWDZBQOSA-N 0 0 418.877 4.353 20 5 HIBDRN COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1C ZINC000439234641 864650922 /nfs/dbraw/zinc/65/09/22/864650922.db2.gz GXDAKDUPFXRURN-UHFFFAOYSA-N 0 0 412.467 4.307 20 5 HIBDRN Cc1cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])ncc1Br ZINC000439248877 864664186 /nfs/dbraw/zinc/66/41/86/864664186.db2.gz IUEGLLXAZXXXSQ-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000439267398 864685388 /nfs/dbraw/zinc/68/53/88/864685388.db2.gz DLRKQTUDNFHSQB-YTQUADARSA-N 0 0 424.501 4.052 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(OC)cc2CC1 ZINC000439368290 864804899 /nfs/dbraw/zinc/80/48/99/864804899.db2.gz CKXFNIRMJIWBBJ-UHFFFAOYSA-N 0 0 400.500 4.347 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000439372799 864806962 /nfs/dbraw/zinc/80/69/62/864806962.db2.gz DACZCDRPFSQTCM-UHFFFAOYSA-N 0 0 403.410 4.105 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(SC)cc2)c(C)c([N+](=O)[O-])c1 ZINC000439398337 864818527 /nfs/dbraw/zinc/81/85/27/864818527.db2.gz AMDLJWAQNBVUKS-GFCCVEGCSA-N 0 0 403.460 4.294 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000439441202 864832789 /nfs/dbraw/zinc/83/27/89/864832789.db2.gz RBWQBYVEFMQFQH-YVEFUNNKSA-N 0 0 405.380 4.480 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439483141 864847526 /nfs/dbraw/zinc/84/75/26/864847526.db2.gz FRUJJCJAMIMUSK-UHFFFAOYSA-N 0 0 410.449 4.301 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(Cc2c(F)cccc2F)C2CCCC2)cc1[N+](=O)[O-] ZINC000439627958 864953203 /nfs/dbraw/zinc/95/32/03/864953203.db2.gz INWISDQSSRZNDC-UHFFFAOYSA-N 0 0 417.412 4.091 20 5 HIBDRN CCOCc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 ZINC000439710699 865047903 /nfs/dbraw/zinc/04/79/03/865047903.db2.gz SFZSDBDBMLVITL-UHFFFAOYSA-N 0 0 419.503 4.050 20 5 HIBDRN O=C(CCC(=O)c1cc(Cl)sc1Cl)NCCc1ccccc1[N+](=O)[O-] ZINC000467974454 881829979 /nfs/dbraw/zinc/82/99/79/881829979.db2.gz ULKWFHSKCSURJI-UHFFFAOYSA-N 0 0 401.271 4.285 20 5 HIBDRN COc1ccc(Oc2ccc(NC(=O)NCCc3ccccc3[N+](=O)[O-])cn2)cc1 ZINC000467988433 881835666 /nfs/dbraw/zinc/83/56/66/881835666.db2.gz MOJVCHKHIRKYMQ-UHFFFAOYSA-N 0 0 408.414 4.155 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000467996479 881840849 /nfs/dbraw/zinc/84/08/49/881840849.db2.gz YMDGJSPKIWHRBX-UHFFFAOYSA-N 0 0 404.426 4.211 20 5 HIBDRN CCCC(=O)Nc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OCC)cc1 ZINC000439868620 865177519 /nfs/dbraw/zinc/17/75/19/865177519.db2.gz YDKYIQPYYSWBED-UHFFFAOYSA-N 0 0 400.435 4.054 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000439871482 865181273 /nfs/dbraw/zinc/18/12/73/865181273.db2.gz PCYHFJDCSCMPPL-SFHVURJKSA-N 0 0 405.838 4.252 20 5 HIBDRN CCC[C@@H](C)c1cc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC000439893751 865205375 /nfs/dbraw/zinc/20/53/75/865205375.db2.gz MDZADJUXDNHWMK-HUUCEWRRSA-N 0 0 422.489 5.042 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)CC(C)C)c1 ZINC000439904094 865215001 /nfs/dbraw/zinc/21/50/01/865215001.db2.gz QZQCZTPSKAGWRX-UHFFFAOYSA-N 0 0 414.462 4.300 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000439909367 865218328 /nfs/dbraw/zinc/21/83/28/865218328.db2.gz FQIIZEMNAPFVKD-UHFFFAOYSA-N 0 0 424.413 4.161 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(F)(c2cccc(OC)c2)CC1 ZINC000439915148 865222616 /nfs/dbraw/zinc/22/26/16/865222616.db2.gz ZZTPMUBBMIEKFL-UHFFFAOYSA-N 0 0 417.437 4.495 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000439920150 865226444 /nfs/dbraw/zinc/22/64/44/865226444.db2.gz XCNRJXGSGAKUJP-MAUKXSAKSA-N 0 0 405.838 4.299 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C[C@](C)(O)CC ZINC000439923052 865227340 /nfs/dbraw/zinc/22/73/40/865227340.db2.gz CCDYCFJSEOLLCG-OAQYLSRUSA-N 0 0 401.463 4.189 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C ZINC000439938167 865237005 /nfs/dbraw/zinc/23/70/05/865237005.db2.gz ZJLJKCTVXLWRIC-HNNXBMFYSA-N 0 0 409.446 4.752 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CC(C)C)c1ccccc1C ZINC000440060950 865332031 /nfs/dbraw/zinc/33/20/31/865332031.db2.gz JGEVUMHMAYOSDP-GOSISDBHSA-N 0 0 413.474 4.144 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](c1ccccc1C)C(C)C ZINC000440062228 865333467 /nfs/dbraw/zinc/33/34/67/865333467.db2.gz NBGICIKHUQGAPK-HXUWFJFHSA-N 0 0 413.474 4.096 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1C)C(C)(C)C ZINC000440065784 865334415 /nfs/dbraw/zinc/33/44/15/865334415.db2.gz VZGVQJZYLDTIRA-LJQANCHMSA-N 0 0 413.474 4.144 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nc(SC)ns2)cc1 ZINC000440070744 865338640 /nfs/dbraw/zinc/33/86/40/865338640.db2.gz BDXSWVGUJBETPL-UHFFFAOYSA-N 0 0 418.456 4.221 20 5 HIBDRN O=C(Nc1cccc(Oc2ccccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000440210612 865444832 /nfs/dbraw/zinc/44/48/32/865444832.db2.gz WQEDMQMBOSSLSX-UHFFFAOYSA-N 0 0 412.789 4.013 20 5 HIBDRN C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1ccccc1OCC(=O)Nc1cccnc1 ZINC000468042442 881871728 /nfs/dbraw/zinc/87/17/28/881871728.db2.gz LKIHKEKADOPVDK-QGZVFWFLSA-N 0 0 420.469 4.441 20 5 HIBDRN C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C1CC1 ZINC000440221510 865456260 /nfs/dbraw/zinc/45/62/60/865456260.db2.gz XTXOJYHBJRFHHE-LJQANCHMSA-N 0 0 406.891 4.290 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1 ZINC000468064117 881883212 /nfs/dbraw/zinc/88/32/12/881883212.db2.gz IPUGPEYSFVHCDZ-UHFFFAOYSA-N 0 0 404.488 4.345 20 5 HIBDRN CC(C)(C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000468074904 881888972 /nfs/dbraw/zinc/88/89/72/881888972.db2.gz LTBKIJWLNVJDSQ-UHFFFAOYSA-N 0 0 404.488 4.083 20 5 HIBDRN C[C@@H](c1cccc(O)c1)N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000440417470 865716317 /nfs/dbraw/zinc/71/63/17/865716317.db2.gz QYMCCWTTYLIPRF-ZDUSSCGKSA-N 0 0 412.471 4.055 20 5 HIBDRN O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440429653 865729943 /nfs/dbraw/zinc/72/99/43/865729943.db2.gz KYKHUGZKDDWVFA-HNNXBMFYSA-N 0 0 422.462 4.316 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NCc2cccc(N3CCC3=O)c2)c([N+](=O)[O-])c1 ZINC000440541285 865811085 /nfs/dbraw/zinc/81/10/85/865811085.db2.gz VHKODGGLYKUBNX-UHFFFAOYSA-N 0 0 401.422 4.175 20 5 HIBDRN CC(C)C(=O)N1CCC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000440593420 865828254 /nfs/dbraw/zinc/82/82/54/865828254.db2.gz CIWPSZQAAOBNCJ-UHFFFAOYSA-N 0 0 409.486 4.023 20 5 HIBDRN CCc1nnc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)o1 ZINC000440599411 865831560 /nfs/dbraw/zinc/83/15/60/865831560.db2.gz ULYQAHNKPIFUHA-UHFFFAOYSA-N 0 0 406.320 4.478 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC(OCC3CC3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000440604864 865833934 /nfs/dbraw/zinc/83/39/34/865833934.db2.gz JTVOAINXBDWMMB-INIZCTEOSA-N 0 0 424.501 4.194 20 5 HIBDRN O=C(c1ccc2c(c1)NC(=O)CS2)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440614539 865839910 /nfs/dbraw/zinc/83/99/10/865839910.db2.gz UCPBNZAQISPCRA-UHFFFAOYSA-N 0 0 419.462 4.486 20 5 HIBDRN Cc1nn(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c2ccc([N+](=O)[O-])cc12 ZINC000440617047 865841788 /nfs/dbraw/zinc/84/17/88/865841788.db2.gz SOYASEYYTRTBOL-UHFFFAOYSA-N 0 0 422.441 4.323 20 5 HIBDRN CC[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)Oc1cccc(Cl)c1 ZINC000440622238 865843866 /nfs/dbraw/zinc/84/38/66/865843866.db2.gz ZMJJDPYBDIELAO-AWEZNQCLSA-N 0 0 415.833 4.089 20 5 HIBDRN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000440629682 865847168 /nfs/dbraw/zinc/84/71/68/865847168.db2.gz UMQKWMHAGAUJDM-UHFFFAOYSA-N 0 0 408.414 4.587 20 5 HIBDRN COc1ccc(C(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000440748998 865887919 /nfs/dbraw/zinc/88/79/19/865887919.db2.gz PVWLANNYLVMLTP-HNNXBMFYSA-N 0 0 400.822 4.110 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)ccc1[N+](=O)[O-] ZINC000440753823 865891066 /nfs/dbraw/zinc/89/10/66/865891066.db2.gz KHWFVTZZVSZXEB-MRXNPFEDSA-N 0 0 400.822 4.110 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N2CC[C@@H](C)Sc3ccccc32)c([N+](=O)[O-])c1 ZINC000440848679 865955338 /nfs/dbraw/zinc/95/53/38/865955338.db2.gz YHJYWGALGHFTGQ-CYBMUJFWSA-N 0 0 400.456 4.094 20 5 HIBDRN CN(C)C(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])nc1 ZINC000440879139 865974910 /nfs/dbraw/zinc/97/49/10/865974910.db2.gz VMBRVOABNKANKC-UHFFFAOYSA-N 0 0 422.466 4.095 20 5 HIBDRN CC1(C)CN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440902267 865999714 /nfs/dbraw/zinc/99/97/14/865999714.db2.gz GJXZLSHXZCUWLK-NQCMUKECSA-N 0 0 412.408 4.423 20 5 HIBDRN CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440916033 866010814 /nfs/dbraw/zinc/01/08/14/866010814.db2.gz REODKWUMEAKCCI-NQCMUKECSA-N 0 0 412.408 4.423 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000441017572 866085240 /nfs/dbraw/zinc/08/52/40/866085240.db2.gz QRRSMLPIUJPZPD-NRFANRHFSA-N 0 0 410.861 4.269 20 5 HIBDRN O=C(Nc1cccc(NCC(F)(F)F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000468115711 881941639 /nfs/dbraw/zinc/94/16/39/881941639.db2.gz AGKIQNYECKZYEV-UHFFFAOYSA-N 0 0 405.336 4.007 20 5 HIBDRN Cn1cc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc(Cl)c1=O ZINC000441051381 866122421 /nfs/dbraw/zinc/12/24/21/866122421.db2.gz NJRLANMQLRFRRQ-UHFFFAOYSA-N 0 0 415.858 4.350 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCS[C@H]2COCC[C@@H]21 ZINC000441065555 866148668 /nfs/dbraw/zinc/14/86/68/866148668.db2.gz KQGKFTVCSIRSCP-KXBFYZLASA-N 0 0 416.524 4.093 20 5 HIBDRN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441064894 866150386 /nfs/dbraw/zinc/15/03/86/866150386.db2.gz PDYZMXWRCKOFGW-CDHQVMDDSA-N 0 0 410.495 4.433 20 5 HIBDRN Cn1ccnc1[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000441068963 866154810 /nfs/dbraw/zinc/15/48/10/866154810.db2.gz NYDXPPMNAFUCRY-OAHLLOKOSA-N 0 0 408.483 4.109 20 5 HIBDRN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C1CCC1 ZINC000441077430 866170844 /nfs/dbraw/zinc/17/08/44/866170844.db2.gz GGAXRAKEMNHJCO-UHFFFAOYSA-N 0 0 405.501 4.147 20 5 HIBDRN COCc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(-c2ccccc2)s1 ZINC000441136796 866229191 /nfs/dbraw/zinc/22/91/91/866229191.db2.gz AKPNCPVMYZSRRK-UHFFFAOYSA-N 0 0 417.874 4.448 20 5 HIBDRN Cc1nnc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])s1 ZINC000441289371 866361846 /nfs/dbraw/zinc/36/18/46/866361846.db2.gz MSGRFTKFOJDTJF-LLVKDONJSA-N 0 0 400.485 4.397 20 5 HIBDRN C[C@H](c1nc(-c2cccs2)no1)N1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441373111 866441043 /nfs/dbraw/zinc/44/10/43/866441043.db2.gz AICCJCRZRHIGKK-LSDHHAIUSA-N 0 0 413.503 4.146 20 5 HIBDRN CCCN(C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441433903 866512623 /nfs/dbraw/zinc/51/26/23/866512623.db2.gz AAEQLFCWGILGFP-UHFFFAOYSA-N 0 0 416.499 4.368 20 5 HIBDRN CCCN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000441437667 866514590 /nfs/dbraw/zinc/51/45/90/866514590.db2.gz KJKAQWLACKTGGU-UHFFFAOYSA-N 0 0 419.363 4.251 20 5 HIBDRN CO[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000441474557 866552043 /nfs/dbraw/zinc/55/20/43/866552043.db2.gz QVNITLPISKTJLF-WMLDXEAASA-N 0 0 417.893 4.500 20 5 HIBDRN COC[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C1CC1 ZINC000441559076 866634358 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O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c1 ZINC000443702414 868297327 /nfs/dbraw/zinc/29/73/27/868297327.db2.gz JKKNUQUPCFKRPZ-HXUWFJFHSA-N 0 0 416.886 4.457 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000443708454 868299211 /nfs/dbraw/zinc/29/92/11/868299211.db2.gz NYEZLFGAXSZEJP-FQEVSTJZSA-N 0 0 404.488 4.051 20 5 HIBDRN O=C(C[C@@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000468261179 882175006 /nfs/dbraw/zinc/17/50/06/882175006.db2.gz KSZCGJNIZJCCMV-HNNXBMFYSA-N 0 0 411.439 4.189 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC(Cc3ccccc3Cl)C2)cc1SC ZINC000443832488 868363572 /nfs/dbraw/zinc/36/35/72/868363572.db2.gz DRGJHDGTCLHQKY-UHFFFAOYSA-N 0 0 406.891 4.293 20 5 HIBDRN O=C(C[C@@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000443847114 868376853 /nfs/dbraw/zinc/37/68/53/868376853.db2.gz AZIOIEDCUATQGS-KRWDZBQOSA-N 0 0 416.861 4.281 20 5 HIBDRN CCOC(=O)c1c(C)csc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 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ZINC000445749681 869799059 /nfs/dbraw/zinc/79/90/59/869799059.db2.gz MPMBIFONQVEONB-JTQLQIEISA-N 0 0 421.240 4.372 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000445767324 869811919 /nfs/dbraw/zinc/81/19/19/869811919.db2.gz RUVYNTILZZKWOC-QGZVFWFLSA-N 0 0 411.483 4.349 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000445773443 869815468 /nfs/dbraw/zinc/81/54/68/869815468.db2.gz KNUCTFPVSGBTOT-UHFFFAOYSA-N 0 0 400.438 4.387 20 5 HIBDRN CC(C)(C)CN(CC(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445790256 869825702 /nfs/dbraw/zinc/82/57/02/869825702.db2.gz NVGIBDNIPHJTGJ-UHFFFAOYSA-N 0 0 411.218 4.337 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)ccc1Nc1ccccc1 ZINC000445814677 869837660 /nfs/dbraw/zinc/83/76/60/869837660.db2.gz AWOXTYJXEMYHAX-FXAWDEMLSA-N 0 0 421.457 4.314 20 5 HIBDRN COc1cc(Cc2noc(C[C@H](C)c3cccc(F)c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445817645 869839504 /nfs/dbraw/zinc/83/95/04/869839504.db2.gz GYGVLJQLJXUISA-LBPRGKRZSA-N 0 0 401.394 4.071 20 5 HIBDRN COc1cc(Cc2noc([C@@H](C)Cc3cccc(F)c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445819393 869841358 /nfs/dbraw/zinc/84/13/58/869841358.db2.gz QCSCIGQDBJTLKU-LBPRGKRZSA-N 0 0 401.394 4.071 20 5 HIBDRN COc1cc(Cc2noc(Cc3ccc(C(F)(F)F)cc3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445822589 869844337 /nfs/dbraw/zinc/84/43/37/869844337.db2.gz UHKQBCGTVQPAED-UHFFFAOYSA-N 0 0 423.347 4.195 20 5 HIBDRN COc1cc(Cc2noc([C@@H](C)Oc3ccc(F)c(F)c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445822282 869844359 /nfs/dbraw/zinc/84/43/59/869844359.db2.gz QFQGQNWMIWPFKG-SNVBAGLBSA-N 0 0 421.356 4.004 20 5 HIBDRN COc1cc(Cc2noc([C@H](C)Oc3ccc(F)c(F)c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445822281 869844492 /nfs/dbraw/zinc/84/44/92/869844492.db2.gz QFQGQNWMIWPFKG-JTQLQIEISA-N 0 0 421.356 4.004 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc(CSC)cc3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445822843 869844526 /nfs/dbraw/zinc/84/45/26/869844526.db2.gz XLWGNZFLPXPJGT-UHFFFAOYSA-N 0 0 401.444 4.116 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCc2cc(F)cc(F)c21 ZINC000445829075 869849348 /nfs/dbraw/zinc/84/93/48/869849348.db2.gz YCQMOYZYCPQNQV-UHFFFAOYSA-N 0 0 411.202 4.157 20 5 HIBDRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000445843237 869855853 /nfs/dbraw/zinc/85/58/53/869855853.db2.gz WPOIZSLXMNNJMU-UHFFFAOYSA-N 0 0 410.449 4.148 20 5 HIBDRN C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccc(OC(F)(F)F)c1 ZINC000445889056 869874078 /nfs/dbraw/zinc/87/40/78/869874078.db2.gz YDZPITIVZYKXLM-GFCCVEGCSA-N 0 0 409.364 4.322 20 5 HIBDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445902956 869879537 /nfs/dbraw/zinc/87/95/37/869879537.db2.gz HXNYEDSNFWSVIR-YJYMSZOUSA-N 0 0 403.866 4.092 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000445904991 869880231 /nfs/dbraw/zinc/88/02/31/869880231.db2.gz VJRAMDRUGZSTLS-UGKGYDQZSA-N 0 0 409.486 4.139 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000445917265 869886953 /nfs/dbraw/zinc/88/69/53/869886953.db2.gz KZXKLDVJHHXJCY-MRXNPFEDSA-N 0 0 423.238 4.069 20 5 HIBDRN CCS[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000445927211 869892515 /nfs/dbraw/zinc/89/25/15/869892515.db2.gz JGEZFDCTTDTIGD-TZMCWYRMSA-N 0 0 401.326 4.080 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000445943749 869902886 /nfs/dbraw/zinc/90/28/86/869902886.db2.gz KJDMVYIKPNZLRA-WCQYABFASA-N 0 0 423.229 4.385 20 5 HIBDRN Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O[C@@H]2CCOC2)c1 ZINC000468409344 882352161 /nfs/dbraw/zinc/35/21/61/882352161.db2.gz SSALLXMUVKRHGU-OAHLLOKOSA-N 0 0 424.375 4.020 20 5 HIBDRN Cc1c(C)n(Cc2ccccc2)c2ncnc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)c12 ZINC000445954831 869921195 /nfs/dbraw/zinc/92/11/95/869921195.db2.gz OQWMRAVGURRVGB-UHFFFAOYSA-N 0 0 419.416 4.396 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC000445955157 869922301 /nfs/dbraw/zinc/92/23/01/869922301.db2.gz RZXMZDYMMJUBRY-UHFFFAOYSA-N 0 0 423.429 4.428 20 5 HIBDRN COc1ccc(N2C(=O)[C@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)cc1[N+](=O)[O-] ZINC000445992262 869954589 /nfs/dbraw/zinc/95/45/89/869954589.db2.gz PBWNSOXRTJTNPJ-HNNXBMFYSA-N 0 0 410.213 4.050 20 5 HIBDRN COc1nc(C)c(Br)cc1-c1noc(/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000446012174 869979883 /nfs/dbraw/zinc/97/98/83/869979883.db2.gz OBMYGTGOGPXOEH-BQYQJAHWSA-N 0 0 417.219 4.290 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1ccco1)C1CCCC1 ZINC000446014359 869981776 /nfs/dbraw/zinc/98/17/76/869981776.db2.gz XIJORUYQXYUEDV-UHFFFAOYSA-N 0 0 407.264 4.464 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1ccccc1)CC(F)F ZINC000446035566 869998768 /nfs/dbraw/zinc/99/87/68/869998768.db2.gz DPFIUVILEFHZQF-UHFFFAOYSA-N 0 0 413.218 4.194 20 5 HIBDRN CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2ccccc2O1 ZINC000446048620 870010499 /nfs/dbraw/zinc/01/04/99/870010499.db2.gz VORYYIBFLKABBH-CQSZACIVSA-N 0 0 405.248 4.104 20 5 HIBDRN C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](c2ccco2)C1 ZINC000446103099 870051238 /nfs/dbraw/zinc/05/12/38/870051238.db2.gz BMBMRTAQZVLXTD-LRDDRELGSA-N 0 0 407.264 4.493 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)OC)cc1OC ZINC000446114830 870060609 /nfs/dbraw/zinc/06/06/09/870060609.db2.gz WOLVNELHWBLXFA-UHFFFAOYSA-N 0 0 404.444 4.144 20 5 HIBDRN Cc1ccccc1C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000446166960 870107897 /nfs/dbraw/zinc/10/78/97/870107897.db2.gz YJSNFWJCQKFACS-UHFFFAOYSA-N 0 0 403.276 4.056 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000446180326 870117481 /nfs/dbraw/zinc/11/74/81/870117481.db2.gz VJXQRRLAPHBGME-MRXNPFEDSA-N 0 0 405.458 4.194 20 5 HIBDRN Cc1cc(NC(=O)N2CCN(c3cccc4cnccc43)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000446180053 870117761 /nfs/dbraw/zinc/11/77/61/870117761.db2.gz RTVQIQRJNVTDPN-MRXNPFEDSA-N 0 0 405.458 4.194 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000446224216 870161393 /nfs/dbraw/zinc/16/13/93/870161393.db2.gz FGLAAWZYHVLKIK-UHFFFAOYSA-N 0 0 415.515 4.122 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000446292137 870221413 /nfs/dbraw/zinc/22/14/13/870221413.db2.gz FOAVDYZNAIMBDK-UHFFFAOYSA-N 0 0 403.438 4.071 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C)cc2OCC2CC2)cc1OC ZINC000446302217 870227375 /nfs/dbraw/zinc/22/73/75/870227375.db2.gz KCTOAOVTJIWGGT-UHFFFAOYSA-N 0 0 414.458 4.029 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C)cc2OCC(F)(F)F)c1 ZINC000446340683 870251250 /nfs/dbraw/zinc/25/12/50/870251250.db2.gz HOKPDYPAEAQBQR-UHFFFAOYSA-N 0 0 414.405 4.496 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000446363713 870275274 /nfs/dbraw/zinc/27/52/74/870275274.db2.gz NOCUGSPGOVAGEO-CQSZACIVSA-N 0 0 405.735 4.490 20 5 HIBDRN CCOc1cc(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1OCC ZINC000446370948 870281201 /nfs/dbraw/zinc/28/12/01/870281201.db2.gz BZGQHGOZNZYKTD-UHFFFAOYSA-N 0 0 415.446 4.093 20 5 HIBDRN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c21 ZINC000446422348 870335260 /nfs/dbraw/zinc/33/52/60/870335260.db2.gz HWPPGPKLIMFRCA-UHFFFAOYSA-N 0 0 406.442 4.330 20 5 HIBDRN COC(=O)c1cccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000446423356 870336920 /nfs/dbraw/zinc/33/69/20/870336920.db2.gz DXNZPGMSVFRNGE-UHFFFAOYSA-N 0 0 420.421 4.142 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446423764 870337025 /nfs/dbraw/zinc/33/70/25/870337025.db2.gz HSWCWNKPBCCMCJ-UHFFFAOYSA-N 0 0 424.888 4.178 20 5 HIBDRN O=C(NC[C@@H]1CCSC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000468457448 882396907 /nfs/dbraw/zinc/39/69/07/882396907.db2.gz FVJUZBXIQXBTJE-ZDUSSCGKSA-N 0 0 405.907 4.343 20 5 HIBDRN COc1cc(OC)cc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000446426189 870341722 /nfs/dbraw/zinc/34/17/22/870341722.db2.gz OKGZUGOYWCJDHL-UHFFFAOYSA-N 0 0 408.410 4.443 20 5 HIBDRN Cc1cn2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3[N+](=O)[O-])sc2n1 ZINC000446427715 870344209 /nfs/dbraw/zinc/34/42/09/870344209.db2.gz JOUOHLPKKQCWMI-UHFFFAOYSA-N 0 0 408.439 4.444 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000446437259 870356445 /nfs/dbraw/zinc/35/64/45/870356445.db2.gz FJTTZJHVMOQFNR-HXUWFJFHSA-N 0 0 410.861 4.161 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000446482077 870395170 /nfs/dbraw/zinc/39/51/70/870395170.db2.gz ORSNRBMGAQQHSF-UHFFFAOYSA-N 0 0 422.407 4.272 20 5 HIBDRN COc1cc(Br)c(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000446483482 870396675 /nfs/dbraw/zinc/39/66/75/870396675.db2.gz CIJFGGACOWXRSW-UHFFFAOYSA-N 0 0 424.251 4.005 20 5 HIBDRN CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1)c1ccccc1 ZINC000446485609 870399479 /nfs/dbraw/zinc/39/94/79/870399479.db2.gz QNCUVKGWHIDSPK-HXUWFJFHSA-N 0 0 424.501 4.210 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000446488666 870401960 /nfs/dbraw/zinc/40/19/60/870401960.db2.gz PJABJIAETJQMKR-KRWDZBQOSA-N 0 0 407.373 4.110 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)c(F)c1 ZINC000446489899 870402066 /nfs/dbraw/zinc/40/20/66/870402066.db2.gz FQFYKRKTHTVSCR-INIZCTEOSA-N 0 0 409.801 4.122 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000446488718 870402609 /nfs/dbraw/zinc/40/26/09/870402609.db2.gz PWYOSVWUIXNDSJ-QGZVFWFLSA-N 0 0 420.263 4.271 20 5 HIBDRN COc1cc(NC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc(OC)c1 ZINC000446492811 870406404 /nfs/dbraw/zinc/40/64/04/870406404.db2.gz BQPWCHWTTRHSBL-UHFFFAOYSA-N 0 0 414.462 4.029 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000446496238 870412644 /nfs/dbraw/zinc/41/26/44/870412644.db2.gz QVDVWFWXXZPFBO-HNNXBMFYSA-N 0 0 402.882 4.467 20 5 HIBDRN O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000446610248 870514190 /nfs/dbraw/zinc/51/41/90/870514190.db2.gz KNVOJSRUDUWCLQ-UHFFFAOYSA-N 0 0 422.466 4.176 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000446632512 870538183 /nfs/dbraw/zinc/53/81/83/870538183.db2.gz UGHUIYTVBTWDCL-FQEVSTJZSA-N 0 0 417.465 4.091 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)CNc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000446635739 870541821 /nfs/dbraw/zinc/54/18/21/870541821.db2.gz YAKUTQOKSYLOMP-LJQANCHMSA-N 0 0 413.474 4.004 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000446676917 870591732 /nfs/dbraw/zinc/59/17/32/870591732.db2.gz NGBQCKGTEYABRP-UHFFFAOYSA-N 0 0 407.430 4.353 20 5 HIBDRN O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000446714621 870630374 /nfs/dbraw/zinc/63/03/74/870630374.db2.gz LHYOLFNAJMCOMG-UHFFFAOYSA-N 0 0 413.783 4.264 20 5 HIBDRN O=C(Nc1cccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1)c1ccccc1 ZINC000446838530 870756925 /nfs/dbraw/zinc/75/69/25/870756925.db2.gz JQDJRYLRSJJHKM-UHFFFAOYSA-N 0 0 416.437 4.437 20 5 HIBDRN CC1CCN(C(=O)c2ccc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2)CC1 ZINC000446840479 870758538 /nfs/dbraw/zinc/75/85/38/870758538.db2.gz ZJTOSFLMBPNXDL-UHFFFAOYSA-N 0 0 422.485 4.057 20 5 HIBDRN C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000446892541 870811178 /nfs/dbraw/zinc/81/11/78/870811178.db2.gz MTIADHWTSVMSRN-LLVKDONJSA-N 0 0 421.379 4.093 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@H]1CCCc1ccccc1 ZINC000446903178 870821374 /nfs/dbraw/zinc/82/13/74/870821374.db2.gz WGLRWFIASQDQSF-QGZVFWFLSA-N 0 0 407.474 4.168 20 5 HIBDRN CN(Cc1c(Cl)cccc1Cl)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446902301 870821451 /nfs/dbraw/zinc/82/14/51/870821451.db2.gz KWCLOQKJKVVBBR-UHFFFAOYSA-N 0 0 408.245 4.120 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446903728 870822873 /nfs/dbraw/zinc/82/28/73/870822873.db2.gz CVSCLTOYDLYXSS-HXUWFJFHSA-N 0 0 423.473 4.307 20 5 HIBDRN CC(C)N(Cc1cccc(Cl)c1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446904689 870823060 /nfs/dbraw/zinc/82/30/60/870823060.db2.gz BUNRYANUZOPKIE-UHFFFAOYSA-N 0 0 401.854 4.245 20 5 HIBDRN Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000446905141 870824092 /nfs/dbraw/zinc/82/40/92/870824092.db2.gz FLEGWVZWZNKGMQ-GOSISDBHSA-N 0 0 423.391 4.370 20 5 HIBDRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446914009 870830017 /nfs/dbraw/zinc/83/00/17/870830017.db2.gz JRZRCSGFLUGXQG-FXAWDEMLSA-N 0 0 407.474 4.339 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000446946805 870854854 /nfs/dbraw/zinc/85/48/54/870854854.db2.gz BGWCXCSALDVZSP-OAHLLOKOSA-N 0 0 418.368 4.279 20 5 HIBDRN C[C@H](c1c(F)cccc1F)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447015165 870892860 /nfs/dbraw/zinc/89/28/60/870892860.db2.gz WNEISCDOJWZHJG-SECBINFHSA-N 0 0 424.347 4.274 20 5 HIBDRN C[C@H](CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC000447021833 870897644 /nfs/dbraw/zinc/89/76/44/870897644.db2.gz VPFACVDNHPSPOK-GFCCVEGCSA-N 0 0 402.394 4.038 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)CC(F)F)c(C(F)(F)F)c1 ZINC000447027895 870904226 /nfs/dbraw/zinc/90/42/26/870904226.db2.gz MKRNTAMYPJFQSB-UHFFFAOYSA-N 0 0 424.347 4.070 20 5 HIBDRN CC(C)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447032149 870906772 /nfs/dbraw/zinc/90/67/72/870906772.db2.gz VMIQUMGXERUKEI-UHFFFAOYSA-N 0 0 420.384 4.352 20 5 HIBDRN C[C@@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447035197 870910580 /nfs/dbraw/zinc/91/05/80/870910580.db2.gz CCKVTIFCFVTTBR-VIFPVBQESA-N 0 0 424.347 4.274 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000447042590 870919379 /nfs/dbraw/zinc/91/93/79/870919379.db2.gz SZCKLYGTBPCKCF-GOSISDBHSA-N 0 0 419.840 4.374 20 5 HIBDRN Cc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1NC(=O)C(C)(C)C ZINC000447066648 870946724 /nfs/dbraw/zinc/94/67/24/870946724.db2.gz GTJQDKAQFCBPGG-UHFFFAOYSA-N 0 0 410.474 4.478 20 5 HIBDRN Cc1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])ccc1Oc1ccncc1 ZINC000447256515 871135549 /nfs/dbraw/zinc/13/55/49/871135549.db2.gz LBUAUUSZRJHZRK-UHFFFAOYSA-N 0 0 413.455 4.075 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1OCc1nc(Cc2cccc(F)c2)no1 ZINC000447300920 871199657 /nfs/dbraw/zinc/19/96/57/871199657.db2.gz FNTOUZTWTAIPIR-UHFFFAOYSA-N 0 0 408.183 4.049 20 5 HIBDRN O=C(CSc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000447347306 871249706 /nfs/dbraw/zinc/24/97/06/871249706.db2.gz CMDYSWWMVGPXAF-CYBMUJFWSA-N 0 0 423.288 4.089 20 5 HIBDRN CCOc1ccccc1NC(=O)CSc1ccc(Br)cc1[N+](=O)[O-] ZINC000447351677 871255232 /nfs/dbraw/zinc/25/52/32/871255232.db2.gz QTWPSIQJBXLHNE-UHFFFAOYSA-N 0 0 411.277 4.487 20 5 HIBDRN COC(=O)[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c(F)cccc1Cl ZINC000447399644 871308602 /nfs/dbraw/zinc/30/86/02/871308602.db2.gz WVLLZZOCIBZSIW-OAHLLOKOSA-N 0 0 420.746 4.410 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H](CCO)c1ccccc1Br)CCC2 ZINC000447607071 871513126 /nfs/dbraw/zinc/51/31/26/871513126.db2.gz POBVPBGHFFCLPN-RBUKOAKNSA-N 0 0 405.292 4.448 20 5 HIBDRN Cc1c(Br)ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1F ZINC000447640446 871559932 /nfs/dbraw/zinc/55/99/32/871559932.db2.gz RWTBBECUPUPDNJ-UHFFFAOYSA-N 0 0 406.211 4.398 20 5 HIBDRN CC(=O)NCc1ccc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 ZINC000447669542 871600581 /nfs/dbraw/zinc/60/05/81/871600581.db2.gz GNIYFSLFNSRCSO-UHFFFAOYSA-N 0 0 404.295 4.024 20 5 HIBDRN COc1cc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc(OC)c1OC ZINC000447674772 871605337 /nfs/dbraw/zinc/60/53/37/871605337.db2.gz GTFGZCHTNKRTNJ-UHFFFAOYSA-N 0 0 423.294 4.413 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000447681629 871614760 /nfs/dbraw/zinc/61/47/60/871614760.db2.gz PYPVATJDQQLDEJ-UHFFFAOYSA-N 0 0 417.487 4.235 20 5 HIBDRN COc1ccccc1OCCN(C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447684843 871617901 /nfs/dbraw/zinc/61/79/01/871617901.db2.gz FGWBJXRRMWHYRR-UHFFFAOYSA-N 0 0 421.322 4.168 20 5 HIBDRN Cc1nc2ccccc2n1CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447687080 871619162 /nfs/dbraw/zinc/61/91/62/871619162.db2.gz HRWCGAUDQMNWTH-UHFFFAOYSA-N 0 0 415.322 4.414 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(Oc3ncccc3F)CC2)nc1OCc1ccccc1 ZINC000447688858 871622154 /nfs/dbraw/zinc/62/21/54/871622154.db2.gz NFDOLFSPTNVCRR-UHFFFAOYSA-N 0 0 424.432 4.151 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@@H](O)CCc1ccccc1 ZINC000447690959 871625838 /nfs/dbraw/zinc/62/58/38/871625838.db2.gz MVRDTMKZEKBTHN-LBPRGKRZSA-N 0 0 405.323 4.050 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Nc1ccc(OC2COC2)cc1 ZINC000447691563 871625967 /nfs/dbraw/zinc/62/59/67/871625967.db2.gz SWCCXJUYIGURMA-UHFFFAOYSA-N 0 0 405.279 4.165 20 5 HIBDRN O=C(N[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1)c1ccc2ccccc2c1 ZINC000447691852 871626042 /nfs/dbraw/zinc/62/60/42/871626042.db2.gz WLEYBDDRBFNPSK-SFHVURJKSA-N 0 0 415.453 4.023 20 5 HIBDRN O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000447715899 871657545 /nfs/dbraw/zinc/65/75/45/871657545.db2.gz RGSJEUYSBAMJKS-UHFFFAOYSA-N 0 0 424.350 4.488 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000447726557 871674338 /nfs/dbraw/zinc/67/43/38/871674338.db2.gz GFKZKQXXPXTNEV-GOSISDBHSA-N 0 0 411.505 4.328 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CCSc2c(F)cccc21 ZINC000447804639 871740050 /nfs/dbraw/zinc/74/00/50/871740050.db2.gz GLNICPHYMGNCST-QGZVFWFLSA-N 0 0 403.479 4.215 20 5 HIBDRN CC(C)(C)OCc1cccc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000447818162 871748908 /nfs/dbraw/zinc/74/89/08/871748908.db2.gz VFGUUPSDAPSIIO-UHFFFAOYSA-N 0 0 413.518 4.354 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cnn(CCC(C)C)c1C(C)C ZINC000447890738 871804158 /nfs/dbraw/zinc/80/41/58/871804158.db2.gz ZDONRUFXGPDWTE-UHFFFAOYSA-N 0 0 403.483 4.020 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448026746 871866491 /nfs/dbraw/zinc/86/64/91/871866491.db2.gz JQHUCOOIOQMGGX-JLTOFOAXSA-N 0 0 416.909 4.478 20 5 HIBDRN CC1(C)CCCC[C@@H]1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000448093907 871932952 /nfs/dbraw/zinc/93/29/52/871932952.db2.gz CBKUSWSCXJNOCL-CQSZACIVSA-N 0 0 423.516 4.039 20 5 HIBDRN CN(C(=O)CSc1ccc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000448104727 871952466 /nfs/dbraw/zinc/95/24/66/871952466.db2.gz JJTWKYLRMVMUSE-NRFANRHFSA-N 0 0 411.458 4.469 20 5 HIBDRN COc1ccc2cc(CN(C)C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cn3)ccc2c1 ZINC000448107526 871954153 /nfs/dbraw/zinc/95/41/53/871954153.db2.gz KWNYBWSKPHMNFY-AWEZNQCLSA-N 0 0 411.483 4.291 20 5 HIBDRN CO[C@@H]1CCOc2c(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cccc21 ZINC000448110809 871957686 /nfs/dbraw/zinc/95/76/86/871957686.db2.gz UPDODCORYCLICS-APPDUMDISA-N 0 0 405.838 4.157 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000448318634 872254664 /nfs/dbraw/zinc/25/46/64/872254664.db2.gz FCWZRDHFLJMWNE-UHFFFAOYSA-N 0 0 420.347 4.207 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000468559948 882609962 /nfs/dbraw/zinc/60/99/62/882609962.db2.gz KTRJMWYPGMHKPM-QGZVFWFLSA-N 0 0 418.291 4.003 20 5 HIBDRN CN(C)c1noc(C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 ZINC000460144577 872653502 /nfs/dbraw/zinc/65/35/02/872653502.db2.gz XAXKGYAEFUYDKR-KAMYIIQDSA-N 0 0 407.455 4.437 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000460155550 872686472 /nfs/dbraw/zinc/68/64/72/872686472.db2.gz OGKVNGCOJRQMMD-UHFFFAOYSA-N 0 0 401.850 4.056 20 5 HIBDRN CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000460284308 872873473 /nfs/dbraw/zinc/87/34/73/872873473.db2.gz WSRVOUMIWBBIFT-UHFFFAOYSA-N 0 0 407.264 4.207 20 5 HIBDRN CCn1c(COc2ccc(Cl)cc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460311998 872898181 /nfs/dbraw/zinc/89/81/81/872898181.db2.gz ZZOCLZPJLWDGBJ-UHFFFAOYSA-N 0 0 413.865 4.001 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000460314435 872900802 /nfs/dbraw/zinc/90/08/02/872900802.db2.gz WRSWPBNIHOWLKM-KRWDZBQOSA-N 0 0 413.503 4.120 20 5 HIBDRN Cc1cnc([C@H](NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000460327270 872929286 /nfs/dbraw/zinc/92/92/86/872929286.db2.gz FUKOLKCKNQIOFY-BFUOFWGJSA-N 0 0 414.531 4.477 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)CN(C)c2ccccc21 ZINC000460338593 872948018 /nfs/dbraw/zinc/94/80/18/872948018.db2.gz JFYOAOOXDQJSIT-UONOGXRCSA-N 0 0 403.866 4.135 20 5 HIBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000468587761 882669749 /nfs/dbraw/zinc/66/97/49/882669749.db2.gz NHYQYXBIOGKOKG-OAHLLOKOSA-N 0 0 404.264 4.074 20 5 HIBDRN C[C@H](c1ncc(C(C)(C)C)o1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460354825 872976140 /nfs/dbraw/zinc/97/61/40/872976140.db2.gz UPDACLNLMOGGAG-CQSZACIVSA-N 0 0 412.494 4.030 20 5 HIBDRN O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460359413 872987443 /nfs/dbraw/zinc/98/74/43/872987443.db2.gz ZZDQASQFSSQDIW-LJQANCHMSA-N 0 0 414.874 4.322 20 5 HIBDRN COc1ccc(-n2c(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)nc3ccccc32)cc1 ZINC000460382884 873025415 /nfs/dbraw/zinc/02/54/15/873025415.db2.gz GPXZFTDQWUQJOS-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000460385700 873029696 /nfs/dbraw/zinc/02/96/96/873029696.db2.gz GUGHOQBWIAYORQ-MGPUTAFESA-N 0 0 418.877 4.314 20 5 HIBDRN COc1cccc(-n2c(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])nc3ccccc32)c1 ZINC000460386456 873030275 /nfs/dbraw/zinc/03/02/75/873030275.db2.gz MMJOFYDLLVSWLU-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN COc1ccc(-n2c(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nc3ccccc32)cc1 ZINC000460388043 873033209 /nfs/dbraw/zinc/03/32/09/873033209.db2.gz NMVXFQIBIWYQJJ-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000460402602 873054036 /nfs/dbraw/zinc/05/40/36/873054036.db2.gz QDOXGIGCOUQJOK-VGSWGCGISA-N 0 0 409.486 4.106 20 5 HIBDRN Cc1cccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1C(=O)N1CCCC1 ZINC000460458412 873137112 /nfs/dbraw/zinc/13/71/12/873137112.db2.gz AHJHAOCZSZIYQK-UHFFFAOYSA-N 0 0 401.850 4.353 20 5 HIBDRN C[C@@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000468597946 882690841 /nfs/dbraw/zinc/69/08/41/882690841.db2.gz QCTRCJWFAHTZJH-GFCCVEGCSA-N 0 0 400.822 4.108 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H](C)CCc2cccn2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000460464796 873148879 /nfs/dbraw/zinc/14/88/79/873148879.db2.gz ACTIHPHIXSGFQS-DLBZAZTESA-N 0 0 421.501 4.253 20 5 HIBDRN C[C@H](CCc1cccn1C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000460470926 873155975 /nfs/dbraw/zinc/15/59/75/873155975.db2.gz WSHRGTUWFARBAQ-FGTMMUONSA-N 0 0 412.534 4.167 20 5 HIBDRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000460471680 873157433 /nfs/dbraw/zinc/15/74/33/873157433.db2.gz PTTUSAOZQXALPB-INIZCTEOSA-N 0 0 419.890 4.019 20 5 HIBDRN COc1ccc(C(=O)Nc2nc3ccccc3n2-c2ccccc2F)cc1[N+](=O)[O-] ZINC000460494401 873180231 /nfs/dbraw/zinc/18/02/31/873180231.db2.gz UPQBEVREWIHAIA-UHFFFAOYSA-N 0 0 406.373 4.334 20 5 HIBDRN O=C(Cc1csc(-c2ccccc2Cl)n1)NCCc1ccccc1[N+](=O)[O-] ZINC000460496727 873181635 /nfs/dbraw/zinc/18/16/35/873181635.db2.gz AOCWPIVHJBVACT-UHFFFAOYSA-N 0 0 401.875 4.273 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000460497362 873183306 /nfs/dbraw/zinc/18/33/06/873183306.db2.gz CBNMQCUCYHOLOY-CYBMUJFWSA-N 0 0 408.401 4.183 20 5 HIBDRN COc1cc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2n1 ZINC000460507406 873193611 /nfs/dbraw/zinc/19/36/11/873193611.db2.gz GEQSNIXLIULVRN-UHFFFAOYSA-N 0 0 420.450 4.205 20 5 HIBDRN COc1ccc(-c2ccc(CNC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000460570101 873303818 /nfs/dbraw/zinc/30/38/18/873303818.db2.gz AUEGUJYJIALNST-UHFFFAOYSA-N 0 0 406.438 4.356 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000460573978 873309489 /nfs/dbraw/zinc/30/94/89/873309489.db2.gz LWODNSTVBJQBAA-HRLGVUPISA-N 0 0 421.925 4.088 20 5 HIBDRN C[C@@H](Nc1ccc(-c2nc(-c3ccc(F)cn3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000460637189 873378291 /nfs/dbraw/zinc/37/82/91/873378291.db2.gz AZLRZHZXXNVWPS-GFCCVEGCSA-N 0 0 406.377 4.414 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000460637161 873378729 /nfs/dbraw/zinc/37/87/29/873378729.db2.gz RRESVBJACNZIDD-HIFRSBDPSA-N 0 0 420.412 4.471 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000460647867 873389370 /nfs/dbraw/zinc/38/93/70/873389370.db2.gz OJWJBLNXZMOREW-UHFFFAOYSA-N 0 0 414.364 4.361 20 5 HIBDRN CCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)nc(C)n1 ZINC000460652020 873394092 /nfs/dbraw/zinc/39/40/92/873394092.db2.gz CVPMJMJYEDWCEA-UHFFFAOYSA-N 0 0 408.414 4.309 20 5 HIBDRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000460673124 873418426 /nfs/dbraw/zinc/41/84/26/873418426.db2.gz UZFOFEHSQZYJBU-MRXNPFEDSA-N 0 0 415.515 4.179 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC000460688452 873446002 /nfs/dbraw/zinc/44/60/02/873446002.db2.gz NDJJQEGWQZIJBH-OAQYLSRUSA-N 0 0 421.501 4.404 20 5 HIBDRN COc1cc(CCC2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1 ZINC000460691910 873454741 /nfs/dbraw/zinc/45/47/41/873454741.db2.gz GHGNFDAWQBPZEG-UHFFFAOYSA-N 0 0 412.486 4.026 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000460701253 873475418 /nfs/dbraw/zinc/47/54/18/873475418.db2.gz LRJSEEHRUQJTHJ-PWIZWCRZSA-N 0 0 413.522 4.295 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccccc2I)no1 ZINC000460745104 873577456 /nfs/dbraw/zinc/57/74/56/873577456.db2.gz GIIATJJUGWVVST-UHFFFAOYSA-N 0 0 407.167 4.225 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000460795185 873664223 /nfs/dbraw/zinc/66/42/23/873664223.db2.gz YYENXKPPYYFPAW-UTKZUKDTSA-N 0 0 421.501 4.477 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)c1 ZINC000460880754 873790810 /nfs/dbraw/zinc/79/08/10/873790810.db2.gz IPFXQIUBBGJZDB-UHFFFAOYSA-N 0 0 403.851 4.089 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000460891187 873802197 /nfs/dbraw/zinc/80/21/97/873802197.db2.gz BDVWFLWQSMSANV-OAHLLOKOSA-N 0 0 410.405 4.112 20 5 HIBDRN CCSCC[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000460893422 873804137 /nfs/dbraw/zinc/80/41/37/873804137.db2.gz JMYBZHNYWOQQTF-YJBOKZPZSA-N 0 0 419.551 4.000 20 5 HIBDRN CC[C@@H]1CCCN(C(=O)c2cc(C(=O)N3CCC[C@@H](CC)C3)cc([N+](=O)[O-])c2)C1 ZINC000461023304 873890111 /nfs/dbraw/zinc/89/01/11/873890111.db2.gz SITBRGBRMJYZPK-IAGOWNOFSA-N 0 0 401.507 4.119 20 5 HIBDRN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000461023717 873890254 /nfs/dbraw/zinc/89/02/54/873890254.db2.gz JMSIOVFTYGHPQY-INIZCTEOSA-N 0 0 402.878 4.281 20 5 HIBDRN CC(C)CCc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1CCCO1 ZINC000461051407 873923053 /nfs/dbraw/zinc/92/30/53/873923053.db2.gz MWFKFOOXOKTFMQ-FQEVSTJZSA-N 0 0 413.522 4.123 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N(Cc3ccccc3)C3CC3)n2C[C@H]2CCCO2)cc1 ZINC000461055266 873927895 /nfs/dbraw/zinc/92/78/95/873927895.db2.gz UCDBQTQJTKZDKS-OAQYLSRUSA-N 0 0 419.485 4.201 20 5 HIBDRN C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)Sc1ccc(Br)cc1 ZINC000461093519 874008146 /nfs/dbraw/zinc/00/81/46/874008146.db2.gz WCSUZBBZBZJDKM-GFCCVEGCSA-N 0 0 409.305 4.197 20 5 HIBDRN C[C@@H]1c2ccccc2CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000461124774 874054388 /nfs/dbraw/zinc/05/43/88/874054388.db2.gz CDPGDQASDBJBIO-UZLBHIALSA-N 0 0 419.485 4.156 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CC4(CC4)c4ccccc43)n2C[C@@H]2CCCO2)cc1 ZINC000461136958 874076257 /nfs/dbraw/zinc/07/62/57/874076257.db2.gz ZNVJKRQZOPATIN-SFHVURJKSA-N 0 0 417.469 4.216 20 5 HIBDRN C[C@H]1c2ccccc2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000461142429 874084940 /nfs/dbraw/zinc/08/49/40/874084940.db2.gz CHJIRWIBJFUOTB-HNAYVOBHSA-N 0 0 405.458 4.114 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)[C@H]2CCCC[C@@H]12 ZINC000461151236 874099598 /nfs/dbraw/zinc/09/95/98/874099598.db2.gz KGOOEGJGBSNGNJ-TTYHFUOFSA-N 0 0 411.506 4.047 20 5 HIBDRN O=C(NCc1ncc(-c2ccccc2)cn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000461167584 874132468 /nfs/dbraw/zinc/13/24/68/874132468.db2.gz VWRXEECSZRXFSA-UHFFFAOYSA-N 0 0 417.450 4.105 20 5 HIBDRN COc1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cc1[N+](=O)[O-] ZINC000461205677 874206920 /nfs/dbraw/zinc/20/69/20/874206920.db2.gz ALFNISIYNSYGCR-UHFFFAOYSA-N 0 0 408.376 4.474 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)c1 ZINC000461210320 874212613 /nfs/dbraw/zinc/21/26/13/874212613.db2.gz ZZNGNKIRLXTPKQ-UHFFFAOYSA-N 0 0 408.376 4.474 20 5 HIBDRN CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000461287403 874293036 /nfs/dbraw/zinc/29/30/36/874293036.db2.gz BKAOOYWDLZZHKL-UHFFFAOYSA-N 0 0 424.404 4.255 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CC4(CCC4)[C@H]3[C@H]3CCCO3)cc2[N+](=O)[O-])C1 ZINC000461308660 874315770 /nfs/dbraw/zinc/31/57/70/874315770.db2.gz UXHWLZICFYFBNQ-MAODMQOUSA-N 0 0 413.518 4.005 20 5 HIBDRN CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000461321039 874330271 /nfs/dbraw/zinc/33/02/71/874330271.db2.gz IVZDFVDXGUBYKD-HNNXBMFYSA-N 0 0 415.515 4.066 20 5 HIBDRN COCCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000468697392 882818909 /nfs/dbraw/zinc/81/89/09/882818909.db2.gz QXZOUWMMOAZXBR-GFCCVEGCSA-N 0 0 411.380 4.046 20 5 HIBDRN CCCCc1nc(-c2cccc(Oc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)c2)no1 ZINC000468699120 882819806 /nfs/dbraw/zinc/81/98/06/882819806.db2.gz RYENAAKNDOGQJO-UHFFFAOYSA-N 0 0 417.443 4.183 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(c1nnc(-c2ccccc2)n1C[C@H]1CCOC1)C1CC1 ZINC000461362343 874365079 /nfs/dbraw/zinc/36/50/79/874365079.db2.gz NVEDRAOLVUCGHK-QGZVFWFLSA-N 0 0 419.485 4.059 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461382167 874387013 /nfs/dbraw/zinc/38/70/13/874387013.db2.gz AKJPARROBCLQMN-LSDHHAIUSA-N 0 0 407.253 4.426 20 5 HIBDRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461388732 874396538 /nfs/dbraw/zinc/39/65/38/874396538.db2.gz QPNBOSSPOKBLNC-ZDUSSCGKSA-N 0 0 408.376 4.213 20 5 HIBDRN Cc1onc(-c2cccc(Cl)c2)c1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461402632 874414478 /nfs/dbraw/zinc/41/44/78/874414478.db2.gz CSYUSJORUSVMGW-UHFFFAOYSA-N 0 0 413.817 4.246 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461412166 874429127 /nfs/dbraw/zinc/42/91/27/874429127.db2.gz YVUJWXQTZPPJSC-JKSUJKDBSA-N 0 0 406.360 4.138 20 5 HIBDRN CC(C)Oc1ccc(CC[C@H](C)Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 ZINC000468718929 882828099 /nfs/dbraw/zinc/82/80/99/882828099.db2.gz ZZLJQYUKQFVMQZ-HNNXBMFYSA-N 0 0 406.504 4.219 20 5 HIBDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1ccc3[nH]c4ccccc4c(=O)c3c1)C2 ZINC000461443750 874498587 /nfs/dbraw/zinc/49/85/87/874498587.db2.gz HMPDVTAYRRKCQW-UHFFFAOYSA-N 0 0 410.473 4.378 20 5 HIBDRN Cc1cccnc1C(C)(C)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000461458462 874517786 /nfs/dbraw/zinc/51/77/86/874517786.db2.gz XLTOBNDCNADDIH-UHFFFAOYSA-N 0 0 403.457 4.231 20 5 HIBDRN Nc1c(C(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cccc1[N+](=O)[O-] ZINC000468743657 882839000 /nfs/dbraw/zinc/83/90/00/882839000.db2.gz NETYPYSAMTYWSR-SFHVURJKSA-N 0 0 409.421 4.074 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2ccoc2)n1Cc1cccs1 ZINC000461497863 874569807 /nfs/dbraw/zinc/56/98/07/874569807.db2.gz QLNSHOLVLMRFHL-UHFFFAOYSA-N 0 0 409.471 4.235 20 5 HIBDRN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1)[C@@H]1CCc2ccccc21 ZINC000461519216 874600585 /nfs/dbraw/zinc/60/05/85/874600585.db2.gz DQGVRYCOWAHNNT-HRAATJIYSA-N 0 0 419.485 4.014 20 5 HIBDRN CC(C)CC[C@@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 ZINC000461574719 874677913 /nfs/dbraw/zinc/67/79/13/874677913.db2.gz ZVEZLCVBGSMQKL-HKUYNNGSSA-N 0 0 413.522 4.295 20 5 HIBDRN CCn1c(=O)c2cc3ccccc3cc2nc1SCc1cc(-c2cnn(C)c2)no1 ZINC000468792885 882862871 /nfs/dbraw/zinc/86/28/71/882862871.db2.gz CBIRNLXCOFPQBT-UHFFFAOYSA-N 0 0 417.494 4.250 20 5 HIBDRN C[S@](=O)C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000461635853 874791472 /nfs/dbraw/zinc/79/14/72/874791472.db2.gz ICGHFMDQZNBQKF-WRGVRERRSA-N 0 0 423.494 4.188 20 5 HIBDRN C[S@@](=O)C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000461635852 874792427 /nfs/dbraw/zinc/79/24/27/874792427.db2.gz ICGHFMDQZNBQKF-WENCNXQZSA-N 0 0 423.494 4.188 20 5 HIBDRN Cc1cc(C)cc(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)c1 ZINC000461639850 874797744 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IGJPHQVSRZIHCJ-CYBMUJFWSA-N 0 0 413.440 4.397 20 5 HIBDRN CNS(=O)(=O)c1ccc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000461774436 874901723 /nfs/dbraw/zinc/90/17/23/874901723.db2.gz KUKIBWLMJKJIBO-NSHDSACASA-N 0 0 417.409 4.003 20 5 HIBDRN Cc1cc(NC2CCN(C(=O)CC(F)(F)F)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461790157 874907378 /nfs/dbraw/zinc/90/73/78/874907378.db2.gz XGCAXIGITHQBHZ-UHFFFAOYSA-N 0 0 413.318 4.277 20 5 HIBDRN CSCC[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 ZINC000461829976 874961178 /nfs/dbraw/zinc/96/11/78/874961178.db2.gz GUQBJUCSUSZVGN-MAUKXSAKSA-N 0 0 419.551 4.000 20 5 HIBDRN Cc1cc(NCc2csc(CNC(=O)c3ccccc3)n2)c(F)cc1[N+](=O)[O-] ZINC000461936866 875072076 /nfs/dbraw/zinc/07/20/76/875072076.db2.gz ACUKQWPAOKZFBR-UHFFFAOYSA-N 0 0 400.435 4.041 20 5 HIBDRN Cc1nc(CN2CCCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)cs1 ZINC000461938208 875073502 /nfs/dbraw/zinc/07/35/02/875073502.db2.gz RIZXCJLDYWGUTH-UHFFFAOYSA-N 0 0 414.453 4.399 20 5 HIBDRN 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ZINC000462993905 876007972 /nfs/dbraw/zinc/00/79/72/876007972.db2.gz IFEJQAUUHPJLRF-INIZCTEOSA-N 0 0 417.893 4.270 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000462995401 876009290 /nfs/dbraw/zinc/00/92/90/876009290.db2.gz POUAYCKLFBQRRK-PXNSSMCTSA-N 0 0 410.470 4.298 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000462996134 876010255 /nfs/dbraw/zinc/01/02/55/876010255.db2.gz UCJAGMNQFSPCON-OXQOHEQNSA-N 0 0 402.878 4.417 20 5 HIBDRN COc1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2c2ccncc2)cc1[N+](=O)[O-] ZINC000463006327 876020018 /nfs/dbraw/zinc/02/00/18/876020018.db2.gz BGJWSZHMFWNEHB-IBGZPJMESA-N 0 0 410.817 4.423 20 5 HIBDRN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000463043770 876070128 /nfs/dbraw/zinc/07/01/28/876070128.db2.gz LMSGJHNMIHPKNN-LSDHHAIUSA-N 0 0 411.483 4.337 20 5 HIBDRN COc1ccc(-c2nnc(Sc3ncc(C)cc3[N+](=O)[O-])n2Cc2ccco2)cc1 ZINC000463051317 876078963 /nfs/dbraw/zinc/07/89/63/876078963.db2.gz AWVHDDBFYSZDEP-UHFFFAOYSA-N 0 0 423.454 4.358 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3cc(-c4ccccc4C(F)(F)F)on3)n2)nc1 ZINC000463052529 876080807 /nfs/dbraw/zinc/08/08/07/876080807.db2.gz GEAKDEWMTAYBFZ-UHFFFAOYSA-N 0 0 417.303 4.304 20 5 HIBDRN COc1ccccc1OCC(=O)Nc1cccc(Nc2ncc(C)cc2[N+](=O)[O-])c1 ZINC000463055461 876083225 /nfs/dbraw/zinc/08/32/25/876083225.db2.gz JQQKLHZARGQJMH-UHFFFAOYSA-N 0 0 408.414 4.068 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(S[C@H](C)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000463068186 876099201 /nfs/dbraw/zinc/09/92/01/876099201.db2.gz HCSLIRKFFQFWNS-CQSZACIVSA-N 0 0 424.544 4.487 20 5 HIBDRN Cc1ccc(CC[C@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)o1 ZINC000463072231 876102173 /nfs/dbraw/zinc/10/21/73/876102173.db2.gz DAUKTONYDGTQFE-LBPRGKRZSA-N 0 0 402.838 4.129 20 5 HIBDRN CS(=O)(=O)c1cccc([C@H](Nc2ccc([N+](=O)[O-])cc2F)c2ccc(F)cc2)c1 ZINC000463075325 876105709 /nfs/dbraw/zinc/10/57/09/876105709.db2.gz AXGCHIALWPXURR-HXUWFJFHSA-N 0 0 418.421 4.478 20 5 HIBDRN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000463082351 876114447 /nfs/dbraw/zinc/11/44/47/876114447.db2.gz CKHJFMCBCLTATB-GUYCJALGSA-N 0 0 405.248 4.007 20 5 HIBDRN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463121408 876165001 /nfs/dbraw/zinc/16/50/01/876165001.db2.gz WOLSDFVFNXIVQR-UHFFFAOYSA-N 0 0 418.453 4.230 20 5 HIBDRN CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000463132152 876178831 /nfs/dbraw/zinc/17/88/31/876178831.db2.gz NKHQMWZTPNBTRE-UHFFFAOYSA-N 0 0 409.364 4.394 20 5 HIBDRN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000463132802 876180600 /nfs/dbraw/zinc/18/06/00/876180600.db2.gz CNAGZDIPRIOCRJ-UHFFFAOYSA-N 0 0 416.393 4.348 20 5 HIBDRN O=C(NCc1ccc(Br)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463181043 876238268 /nfs/dbraw/zinc/23/82/68/876238268.db2.gz CCSGPZMFDLRFFF-UHFFFAOYSA-N 0 0 409.183 4.368 20 5 HIBDRN O=C(NCCc1ccc(Br)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463348434 876402011 /nfs/dbraw/zinc/40/20/11/876402011.db2.gz IGNMBNQAVAIZKX-UHFFFAOYSA-N 0 0 423.210 4.410 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(Br)cc2cccnc21 ZINC000463400165 876455161 /nfs/dbraw/zinc/45/51/61/876455161.db2.gz VRLBPIIBQQZZSW-LLVKDONJSA-N 0 0 412.243 4.497 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000463405855 876460668 /nfs/dbraw/zinc/46/06/68/876460668.db2.gz QBGNGOMERDRXPV-JCNLHEQBSA-N 0 0 418.291 4.145 20 5 HIBDRN COc1cc(CSc2nnc(COc3ccc(C)cc3)o2)c([N+](=O)[O-])cc1F ZINC000463444000 876502413 /nfs/dbraw/zinc/50/24/13/876502413.db2.gz QJRNYXXLDQPINB-UHFFFAOYSA-N 0 0 405.407 4.305 20 5 HIBDRN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000463478103 876536822 /nfs/dbraw/zinc/53/68/22/876536822.db2.gz HDHKPYXQGVFLOQ-MRVPVSSYSA-N 0 0 421.327 4.490 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)c2ncccc12 ZINC000463516986 876582832 /nfs/dbraw/zinc/58/28/32/876582832.db2.gz IMJFNCUHGVCOAI-UHFFFAOYSA-N 0 0 409.423 4.132 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCc1cccc(Br)c1 ZINC000463560221 876648806 /nfs/dbraw/zinc/64/88/06/876648806.db2.gz QXPYHLAXLSABEV-UHFFFAOYSA-N 0 0 408.252 4.072 20 5 HIBDRN O=C(COc1c(F)cccc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000463561758 876651417 /nfs/dbraw/zinc/65/14/17/876651417.db2.gz HQCCXOXBKAKYSY-HNNXBMFYSA-N 0 0 415.402 4.145 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1OCc1nc(Cc2cccc(Br)c2)no1 ZINC000463572159 876667728 /nfs/dbraw/zinc/66/77/28/876667728.db2.gz UCLUVXQPIWBNSG-UHFFFAOYSA-N 0 0 408.183 4.049 20 5 HIBDRN CC[C@@H](C)N(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C(N)=O)cc1 ZINC000463599849 876714298 /nfs/dbraw/zinc/71/42/98/876714298.db2.gz IGFHVRRFEZKVCP-LLVKDONJSA-N 0 0 409.364 4.158 20 5 HIBDRN Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1-c1c(F)cccc1F ZINC000468990557 883056874 /nfs/dbraw/zinc/05/68/74/883056874.db2.gz OWFNPASUNSKTGL-UHFFFAOYSA-N 0 0 412.396 4.172 20 5 HIBDRN CC[C@@H](C)N(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(N)=O)cc1 ZINC000463607549 876727075 /nfs/dbraw/zinc/72/70/75/876727075.db2.gz SGRONRVZPWZACQ-GFCCVEGCSA-N 0 0 421.906 4.271 20 5 HIBDRN CC[C@H](C)N(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C(N)=O)cc1 ZINC000463609251 876728719 /nfs/dbraw/zinc/72/87/19/876728719.db2.gz WRKHUXGBHMBYEG-ZDUSSCGKSA-N 0 0 424.482 4.263 20 5 HIBDRN COc1ccc(NC(=O)N(C)CCc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000463663907 876785431 /nfs/dbraw/zinc/78/54/31/876785431.db2.gz MJXUTXORDAHNEC-UHFFFAOYSA-N 0 0 408.252 4.072 20 5 HIBDRN Cc1ccc(CN(C(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000463668169 876789922 /nfs/dbraw/zinc/78/99/22/876789922.db2.gz UZWQISAERPRGQN-UHFFFAOYSA-N 0 0 405.501 4.112 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)c2ncccc12 ZINC000463683713 876804745 /nfs/dbraw/zinc/80/47/45/876804745.db2.gz IMPZWSPSCXKDCB-MRXNPFEDSA-N 0 0 417.874 4.322 20 5 HIBDRN Cc1c(CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)cccc1[N+](=O)[O-] ZINC000463701196 876820334 /nfs/dbraw/zinc/82/03/34/876820334.db2.gz BBJILNUDKWLGRN-UHFFFAOYSA-N 0 0 405.458 4.425 20 5 HIBDRN COc1cc2c(cc1NCc1csc(-c3cccc([N+](=O)[O-])c3)n1)NC(=O)CC2 ZINC000463704812 876823989 /nfs/dbraw/zinc/82/39/89/876823989.db2.gz IABBIUBAWWKPHY-UHFFFAOYSA-N 0 0 410.455 4.224 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(Oc2ccc(F)cc2)CC1 ZINC000463714754 876834557 /nfs/dbraw/zinc/83/45/57/876834557.db2.gz CUFPGVKPNAYHMZ-UHFFFAOYSA-N 0 0 412.339 4.436 20 5 HIBDRN O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463736225 876856820 /nfs/dbraw/zinc/85/68/20/876856820.db2.gz ABWHUPQZTZMXLO-UHFFFAOYSA-N 0 0 411.727 4.304 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCc3c2cccc3-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000463905930 877028378 /nfs/dbraw/zinc/02/83/78/877028378.db2.gz PPOULVMAENFBMR-UHFFFAOYSA-N 0 0 402.406 4.251 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000463955703 877078179 /nfs/dbraw/zinc/07/81/79/877078179.db2.gz RFXFYOPXXLNEMF-UHFFFAOYSA-N 0 0 414.437 4.233 20 5 HIBDRN C[C@H]1CCCN(c2cc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)ccn2)C1 ZINC000463956961 877080391 /nfs/dbraw/zinc/08/03/91/877080391.db2.gz DSPAQCIDHMPILX-BTYIYWSLSA-N 0 0 412.515 4.114 20 5 HIBDRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000463957852 877081765 /nfs/dbraw/zinc/08/17/65/877081765.db2.gz HJAFWVASRLNFFU-IBGZPJMESA-N 0 0 413.474 4.433 20 5 HIBDRN COc1cccc(-c2noc([C@H](C)NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)n2)c1 ZINC000463964440 877090152 /nfs/dbraw/zinc/09/01/52/877090152.db2.gz NPPUHENNXHFCBG-ZDUSSCGKSA-N 0 0 411.418 4.153 20 5 HIBDRN COc1ccc(CCNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1OC(F)F ZINC000463968951 877094659 /nfs/dbraw/zinc/09/46/59/877094659.db2.gz CGZLSPNCNZDTHV-UHFFFAOYSA-N 0 0 409.389 4.186 20 5 HIBDRN COc1cc(S(=O)(=O)N(Cc2ccc(C)o2)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000469026381 883095344 /nfs/dbraw/zinc/09/53/44/883095344.db2.gz RHLPBYIANINIBC-UHFFFAOYSA-N 0 0 420.418 4.039 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000463971259 877097893 /nfs/dbraw/zinc/09/78/93/877097893.db2.gz OCCAPTHEKNWDOO-UHFFFAOYSA-N 0 0 418.444 4.276 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000464002236 877137895 /nfs/dbraw/zinc/13/78/95/877137895.db2.gz BWFLTRVUSYETOK-UHFFFAOYSA-N 0 0 403.438 4.056 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000464043333 877181991 /nfs/dbraw/zinc/18/19/91/877181991.db2.gz WJFMQPVXQMWJHS-UHFFFAOYSA-N 0 0 415.877 4.042 20 5 HIBDRN CN(CC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000464063074 877208367 /nfs/dbraw/zinc/20/83/67/877208367.db2.gz UVIIUJXMYKCDIY-INIZCTEOSA-N 0 0 401.772 4.104 20 5 HIBDRN COc1cc(CNc2ccc(C(=O)NCC(C)C)c(Cl)c2)c([N+](=O)[O-])cc1F ZINC000464078108 877229290 /nfs/dbraw/zinc/22/92/90/877229290.db2.gz WRCWQODVKVPUJY-UHFFFAOYSA-N 0 0 409.845 4.394 20 5 HIBDRN CSc1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)c2ccc(F)c(F)c2)c1 ZINC000464134469 877294388 /nfs/dbraw/zinc/29/43/88/877294388.db2.gz HEZSMJTYAAQTAS-GOSISDBHSA-N 0 0 403.410 4.442 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c(C)c1[N+](=O)[O-] ZINC000464150659 877319266 /nfs/dbraw/zinc/31/92/66/877319266.db2.gz MEAQQIBANKATRJ-UHFFFAOYSA-N 0 0 415.837 4.278 20 5 HIBDRN COc1ccccc1C[C@@H](C)N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000464170440 877336169 /nfs/dbraw/zinc/33/61/69/877336169.db2.gz RTSFXTFBPKUZCM-CQSZACIVSA-N 0 0 411.483 4.430 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N(CCCOc1ccccc1)C1CCOCC1 ZINC000464182236 877353326 /nfs/dbraw/zinc/35/33/26/877353326.db2.gz PDTWRPHSSUDVBG-UHFFFAOYSA-N 0 0 424.453 4.431 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000503256624 912235750 /nfs/dbraw/zinc/23/57/50/912235750.db2.gz LJGOGXVDUFJDBY-CQSZACIVSA-N 0 0 410.199 4.060 20 5 HIBDRN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000464299499 877487784 /nfs/dbraw/zinc/48/77/84/877487784.db2.gz FJISSOQHPHEALB-AWEZNQCLSA-N 0 0 408.241 4.339 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000464398433 877600063 /nfs/dbraw/zinc/60/00/63/877600063.db2.gz ASDRYKQARATULA-GOSISDBHSA-N 0 0 413.522 4.063 20 5 HIBDRN C[C@@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000464403141 877605085 /nfs/dbraw/zinc/60/50/85/877605085.db2.gz MVWIJPSLBRAJAL-FZKQIMNGSA-N 0 0 415.446 4.054 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(CC(F)(F)F)c1 ZINC000464430268 877641864 /nfs/dbraw/zinc/64/18/64/877641864.db2.gz PHHGVYYKEPJTCG-UHFFFAOYSA-N 0 0 423.347 4.026 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nccc(-c4ccco4)n3)cc2[N+](=O)[O-])C1 ZINC000464445799 877660494 /nfs/dbraw/zinc/66/04/94/877660494.db2.gz HMCKLNFIYNHSTB-GJZGRUSLSA-N 0 0 421.457 4.379 20 5 HIBDRN 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ZINC000464622746 877841702 /nfs/dbraw/zinc/84/17/02/877841702.db2.gz AUDMFRYENZXJCJ-UHFFFAOYSA-N 0 0 420.465 4.442 20 5 HIBDRN COC(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)nc1C1CC1 ZINC000503299001 912280322 /nfs/dbraw/zinc/28/03/22/912280322.db2.gz MEKRCXGUDLLUBC-UHFFFAOYSA-N 0 0 404.426 4.328 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(Br)cc1 ZINC000464628163 877845880 /nfs/dbraw/zinc/84/58/80/877845880.db2.gz NFKLMPUHXXEPTR-JTQLQIEISA-N 0 0 413.655 4.208 20 5 HIBDRN C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000464629894 877847388 /nfs/dbraw/zinc/84/73/88/877847388.db2.gz QWGZUHDANBZRMI-DPZWOIPNSA-N 0 0 410.470 4.485 20 5 HIBDRN O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464631731 877848870 /nfs/dbraw/zinc/84/88/70/877848870.db2.gz VMMXYAKUPWTXCC-UONOGXRCSA-N 0 0 400.397 4.333 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000464634477 877850825 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879846940 /nfs/dbraw/zinc/84/69/40/879846940.db2.gz BELAHSFCBBMONW-UHFFFAOYSA-N 0 0 415.877 4.095 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000466134776 879847106 /nfs/dbraw/zinc/84/71/06/879847106.db2.gz AMWYIOHKRGBMRB-LJQANCHMSA-N 0 0 421.457 4.124 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000466138854 879850178 /nfs/dbraw/zinc/85/01/78/879850178.db2.gz JORXQDFFLNOZLV-MRXNPFEDSA-N 0 0 419.865 4.170 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1=CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000466151256 879857213 /nfs/dbraw/zinc/85/72/13/879857213.db2.gz AJCCLCNYORFZGG-UHFFFAOYSA-N 0 0 404.470 4.426 20 5 HIBDRN O=C(NCc1ccc(Br)c(F)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466205597 879896806 /nfs/dbraw/zinc/89/68/06/879896806.db2.gz PSUXCFVMYVURHK-UHFFFAOYSA-N 0 0 416.634 4.149 20 5 HIBDRN C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl ZINC000503473119 912510152 /nfs/dbraw/zinc/51/01/52/912510152.db2.gz GLFSHBTURYPLEK-NSHDSACASA-N 0 0 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O=C(NCc1ccnc(OC2CCCCC2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000503478154 912520556 /nfs/dbraw/zinc/52/05/56/912520556.db2.gz UNAMKFCSNAVJBN-UHFFFAOYSA-N 0 0 424.501 4.232 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000466281242 880022168 /nfs/dbraw/zinc/02/21/68/880022168.db2.gz PPGRJAQEOWLSMF-KRWDZBQOSA-N 0 0 423.238 4.239 20 5 HIBDRN Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)CC(C)C ZINC000466283640 880024446 /nfs/dbraw/zinc/02/44/46/880024446.db2.gz SADCGGHWOCMJRV-UHFFFAOYSA-N 0 0 403.866 4.471 20 5 HIBDRN CCOc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc(OCC)c1OCC ZINC000466284717 880027970 /nfs/dbraw/zinc/02/79/70/880027970.db2.gz BMLLPWZYZLFNTQ-UHFFFAOYSA-N 0 0 422.865 4.374 20 5 HIBDRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466293841 880040419 /nfs/dbraw/zinc/04/04/19/880040419.db2.gz ROZGBZAIBVESJG-UHFFFAOYSA-N 0 0 410.257 4.426 20 5 HIBDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000466296261 880043273 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4.335 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)nn(C)c1Sc1ccccc1 ZINC000466508593 880283320 /nfs/dbraw/zinc/28/33/20/880283320.db2.gz OLLRIWDZICSLNL-UHFFFAOYSA-N 0 0 412.471 4.439 20 5 HIBDRN O=[N+]([O-])c1ccc(CNS(=O)(=O)c2cc(Cl)sc2Cl)c(Cl)c1 ZINC000466518833 880295229 /nfs/dbraw/zinc/29/52/29/880295229.db2.gz NJLHDPAGGHVFCP-UHFFFAOYSA-N 0 0 401.680 4.095 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000466521509 880298322 /nfs/dbraw/zinc/29/83/22/880298322.db2.gz XTPFJMCJMZURHR-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN CC(C)CC(=O)Nc1cccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466567587 880343725 /nfs/dbraw/zinc/34/37/25/880343725.db2.gz POHBCWREMODMQJ-UHFFFAOYSA-N 0 0 418.881 4.232 20 5 HIBDRN C[C@@H](NC(=O)NCc1cc2cc(Br)ccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000466571230 880347601 /nfs/dbraw/zinc/34/76/01/880347601.db2.gz BVUJZUOMSAHPCT-LLVKDONJSA-N 0 0 417.263 4.399 20 5 HIBDRN CC[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC000466648022 880423804 /nfs/dbraw/zinc/42/38/04/880423804.db2.gz KWRPDWMYYUGMBX-CYBMUJFWSA-N 0 0 400.328 4.340 20 5 HIBDRN CSc1ccc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000466655023 880433209 /nfs/dbraw/zinc/43/32/09/880433209.db2.gz QFDCBBTWOFHFIE-QGZVFWFLSA-N 0 0 416.499 4.113 20 5 HIBDRN O=C(NCc1cc2cc(Br)ccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000466687739 880477705 /nfs/dbraw/zinc/47/77/05/880477705.db2.gz AEFTYFUNDJZTCB-UHFFFAOYSA-N 0 0 407.199 4.299 20 5 HIBDRN C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000503527974 912579915 /nfs/dbraw/zinc/57/99/15/912579915.db2.gz QKESHFOOEGWVQK-JOCHJYFZSA-N 0 0 407.474 4.125 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000466798300 880575798 /nfs/dbraw/zinc/57/57/98/880575798.db2.gz YTPIWDIDIPMDAN-GFCCVEGCSA-N 0 0 402.813 4.624 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000466810471 880585446 /nfs/dbraw/zinc/58/54/46/880585446.db2.gz 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COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000467104674 880865209 /nfs/dbraw/zinc/86/52/09/880865209.db2.gz XXKWLLJBORTZLG-UHFFFAOYSA-N 0 0 419.235 4.169 20 5 HIBDRN CN(C)C(=O)CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000467111550 880870236 /nfs/dbraw/zinc/87/02/36/880870236.db2.gz SKXUKUMMRBNJOO-UHFFFAOYSA-N 0 0 418.453 4.073 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000467155577 880890569 /nfs/dbraw/zinc/89/05/69/880890569.db2.gz QMPGHVHTZGXANS-UHFFFAOYSA-N 0 0 414.805 4.415 20 5 HIBDRN COCc1ccc([C@H]2CCCN2C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000467170741 880898307 /nfs/dbraw/zinc/89/83/07/880898307.db2.gz IYJZIHQZNKZRIE-CQSZACIVSA-N 0 0 411.361 4.305 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000467174801 880903187 /nfs/dbraw/zinc/90/31/87/880903187.db2.gz WRHVYNDGOSWXAG-SNVBAGLBSA-N 0 0 411.409 4.339 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467214767 880943829 /nfs/dbraw/zinc/94/38/29/880943829.db2.gz FNSNNYFPIOLBLF-UHFFFAOYSA-N 0 0 413.865 4.050 20 5 HIBDRN CN(Cc1cc(Br)cs1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467218122 880948198 /nfs/dbraw/zinc/94/81/98/880948198.db2.gz NTAVQNIGUSXAAP-UHFFFAOYSA-N 0 0 418.700 4.414 20 5 HIBDRN CN(Cc1ccccc1OC(F)(F)F)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467224730 880954471 /nfs/dbraw/zinc/95/44/71/880954471.db2.gz LFEVRJQXLHLRRY-UHFFFAOYSA-N 0 0 417.771 4.488 20 5 HIBDRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467225220 880955013 /nfs/dbraw/zinc/95/50/13/880955013.db2.gz ZYYGHEYQWRPLAW-UHFFFAOYSA-N 0 0 417.771 4.488 20 5 HIBDRN COc1ccc(C2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000467229705 880958139 /nfs/dbraw/zinc/95/81/39/880958139.db2.gz KZPKSGJFPOMJEU-UHFFFAOYSA-N 0 0 403.866 4.346 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000467255003 880987485 /nfs/dbraw/zinc/98/74/85/880987485.db2.gz VFZOIVOBIWMHPP-HNNXBMFYSA-N 0 0 421.457 4.126 20 5 HIBDRN CCc1ccc([C@@H]2CCCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000503568118 912647622 /nfs/dbraw/zinc/64/76/22/912647622.db2.gz GDYZSSLNDSSWNC-QGZVFWFLSA-N 0 0 407.474 4.123 20 5 HIBDRN Cc1sc(S(=O)(=O)N(Cc2cccc(C)c2)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000467402718 881188456 /nfs/dbraw/zinc/18/84/56/881188456.db2.gz SZOWNJIREPPREY-UHFFFAOYSA-N 0 0 417.512 4.059 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)cc1[N+](=O)[O-] ZINC000467425178 881215105 /nfs/dbraw/zinc/21/51/05/881215105.db2.gz YGMFTTRFNHNEBC-UHFFFAOYSA-N 0 0 423.491 4.153 20 5 HIBDRN CC[C@H](O)CCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000467481950 881302787 /nfs/dbraw/zinc/30/27/87/881302787.db2.gz URBOLQIAXCEXQG-HNNXBMFYSA-N 0 0 422.865 4.330 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(F)c(F)cc1I ZINC000467507741 881321358 /nfs/dbraw/zinc/32/13/58/881321358.db2.gz IGDRWXDVRGPXFL-UHFFFAOYSA-N 0 0 418.137 4.038 20 5 HIBDRN O=C(NCCc1ncc[nH]1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000467517683 881331664 /nfs/dbraw/zinc/33/16/64/881331664.db2.gz XINUDLJGEDAFBF-UHFFFAOYSA-N 0 0 402.863 4.095 20 5 HIBDRN COc1cc(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)cc([N+](=O)[O-])c1OC ZINC000469081934 883167190 /nfs/dbraw/zinc/16/71/90/883167190.db2.gz VTEKNJRMDYYUIQ-UHFFFAOYSA-N 0 0 418.396 4.210 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469108922 883201056 /nfs/dbraw/zinc/20/10/56/883201056.db2.gz XIQWNQKXWHHBMO-QWHCGFSZSA-N 0 0 407.854 4.101 20 5 HIBDRN C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2c(O)cccc21 ZINC000469288872 883385972 /nfs/dbraw/zinc/38/59/72/883385972.db2.gz PGBQRRQAINLCNV-LLVKDONJSA-N 0 0 405.248 4.146 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000469304813 883403173 /nfs/dbraw/zinc/40/31/73/883403173.db2.gz ZXJACRHJMMKOLC-NWDGAFQWSA-N 0 0 422.279 4.044 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC000469331103 883441943 /nfs/dbraw/zinc/44/19/43/883441943.db2.gz QAZVDDLIAQIVAA-UHFFFAOYSA-N 0 0 422.775 4.170 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469355483 883477697 /nfs/dbraw/zinc/47/76/97/883477697.db2.gz ZAJQFPGWXXJTSC-VXGBXAGGSA-N 0 0 422.279 4.044 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469372579 883499698 /nfs/dbraw/zinc/49/96/98/883499698.db2.gz CDGMYFVPUUBOIY-VXGBXAGGSA-N 0 0 410.804 4.310 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000469381371 883516760 /nfs/dbraw/zinc/51/67/60/883516760.db2.gz MMMUBSHRFHVHNG-VGOFRKELSA-N 0 0 419.485 4.127 20 5 HIBDRN C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(OCC2CC2)c(F)c1 ZINC000469412687 883584956 /nfs/dbraw/zinc/58/49/56/883584956.db2.gz VXICFPSKXBFVDM-AWEZNQCLSA-N 0 0 413.449 4.352 20 5 HIBDRN C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000469438391 883626340 /nfs/dbraw/zinc/62/63/40/883626340.db2.gz KBDACWVQPJUUNV-CQSZACIVSA-N 0 0 424.432 4.199 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469452711 883656368 /nfs/dbraw/zinc/65/63/68/883656368.db2.gz QLJLGPFGYDNDQZ-JTQLQIEISA-N 0 0 413.327 4.496 20 5 HIBDRN CCOc1cc(Cl)ccc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000469490327 883727075 /nfs/dbraw/zinc/72/70/75/883727075.db2.gz QYKBBELAICIIAL-UHFFFAOYSA-N 0 0 400.822 4.300 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000469559996 883814276 /nfs/dbraw/zinc/81/42/76/883814276.db2.gz GMDNNFZCKUGIQC-NOZJJQNGSA-N 0 0 414.293 4.011 20 5 HIBDRN CCOc1cc(Cl)ccc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000469619652 883837002 /nfs/dbraw/zinc/83/70/02/883837002.db2.gz YRQPPKYTSVIKGO-UHFFFAOYSA-N 0 0 404.854 4.001 20 5 HIBDRN CN(C)[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl ZINC000469675313 883864475 /nfs/dbraw/zinc/86/44/75/883864475.db2.gz ZCLDHAJKXZHJSS-LJQANCHMSA-N 0 0 407.873 4.129 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(CC)[C@@H](CC)Cc2ccccc2)cc1OC ZINC000469707523 883880830 /nfs/dbraw/zinc/88/08/30/883880830.db2.gz JUHAYMGMQJOCRO-KRWDZBQOSA-N 0 0 400.475 4.486 20 5 HIBDRN COc1ccc(-c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])nc2)cc1Cl ZINC000469886914 884077283 /nfs/dbraw/zinc/07/72/83/884077283.db2.gz GHBSCYDZEOGQCX-UHFFFAOYSA-N 0 0 413.817 4.336 20 5 HIBDRN CCOc1ccc(C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1[N+](=O)[O-] ZINC000469887585 884079395 /nfs/dbraw/zinc/07/93/95/884079395.db2.gz CWMLDIGCTHCFOU-UHFFFAOYSA-N 0 0 402.407 4.212 20 5 HIBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@@H](O)C1CC1 ZINC000469893540 884084551 /nfs/dbraw/zinc/08/45/51/884084551.db2.gz OXIUTEDLKFRDEP-KZIRBZLESA-N 0 0 423.494 4.022 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)n1 ZINC000469895320 884085308 /nfs/dbraw/zinc/08/53/08/884085308.db2.gz BLVRSWSPWFEDGX-UHFFFAOYSA-N 0 0 408.201 4.075 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCC2(CCCCC2)CC1 ZINC000469951584 884153929 /nfs/dbraw/zinc/15/39/29/884153929.db2.gz YAVIWMQNXBCDRC-UHFFFAOYSA-N 0 0 415.490 4.246 20 5 HIBDRN COc1cc(C(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)ccc1[N+](=O)[O-] ZINC000470023940 884242295 /nfs/dbraw/zinc/24/22/95/884242295.db2.gz GXVSMWQVBOBZPI-UHFFFAOYSA-N 0 0 423.450 4.032 20 5 HIBDRN Cc1c(C(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)cccc1[N+](=O)[O-] ZINC000470040287 884280564 /nfs/dbraw/zinc/28/05/64/884280564.db2.gz BEFFVGKENORLJJ-UHFFFAOYSA-N 0 0 407.451 4.332 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cc(F)ccc2NC(C)C)cc1[N+](=O)[O-] ZINC000470071872 884327353 /nfs/dbraw/zinc/32/73/53/884327353.db2.gz BCYRSNRDRKGMNL-UHFFFAOYSA-N 0 0 407.467 4.435 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Br)ccc2NC(C)C)ccc1[N+](=O)[O-] ZINC000470084805 884342416 /nfs/dbraw/zinc/34/24/16/884342416.db2.gz AFHSXZXMRYDYRF-UHFFFAOYSA-N 0 0 408.252 4.439 20 5 HIBDRN CN(Cc1cc(Cl)ccc1F)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000470111417 884371283 /nfs/dbraw/zinc/37/12/83/884371283.db2.gz JSUWIODIDKZJSD-UHFFFAOYSA-N 0 0 415.646 4.351 20 5 HIBDRN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1-n1cccn1 ZINC000470111648 884371477 /nfs/dbraw/zinc/37/14/77/884371477.db2.gz SVXHJKJZHTXGCI-SFHVURJKSA-N 0 0 422.488 4.218 20 5 HIBDRN O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470116438 884376524 /nfs/dbraw/zinc/37/65/24/884376524.db2.gz UQNFAWVPJAODIP-UHFFFAOYSA-N 0 0 419.416 4.454 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470124673 884387372 /nfs/dbraw/zinc/38/73/72/884387372.db2.gz JBCGQAAOWDIPTG-UHFFFAOYSA-N 0 0 400.341 4.382 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000470151016 884419586 /nfs/dbraw/zinc/41/95/86/884419586.db2.gz FVUWGRAQLSJYRX-LBPRGKRZSA-N 0 0 404.467 4.481 20 5 HIBDRN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000470154205 884425680 /nfs/dbraw/zinc/42/56/80/884425680.db2.gz ZNGWBGUQRLUGEI-AVYPCKFXSA-N 0 0 415.877 4.126 20 5 HIBDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000470185829 884476313 /nfs/dbraw/zinc/47/63/13/884476313.db2.gz YXDRVEVSNUFOJY-UHFFFAOYSA-N 0 0 420.347 4.141 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000470188722 884483473 /nfs/dbraw/zinc/48/34/73/884483473.db2.gz UCCGQGWHZWBBHW-INIZCTEOSA-N 0 0 410.396 4.262 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000470192991 884496581 /nfs/dbraw/zinc/49/65/81/884496581.db2.gz CAWQUNXETUKCPN-QFSBIZTOSA-N 0 0 409.895 4.099 20 5 HIBDRN CSc1ccc(C(=O)Nc2c(C)cnn2Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000470202604 884517613 /nfs/dbraw/zinc/51/76/13/884517613.db2.gz JQTCVKLNMKSHGF-UHFFFAOYSA-N 0 0 400.435 4.261 20 5 HIBDRN C[C@@H](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000470209448 884529429 /nfs/dbraw/zinc/52/94/29/884529429.db2.gz IYUPNEPDNPOIAT-NSHDSACASA-N 0 0 406.364 4.414 20 5 HIBDRN CC(C)CCC1CCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 ZINC000470234392 884561365 /nfs/dbraw/zinc/56/13/65/884561365.db2.gz PMUGECYKGRQDDB-UHFFFAOYSA-N 0 0 417.535 4.163 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000470266160 884616645 /nfs/dbraw/zinc/61/66/45/884616645.db2.gz YGTFQBFPBWXXCK-ZTQAJYAQSA-N 0 0 418.877 4.360 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCO[C@]3(CCOC3)C2)cc1 ZINC000470336927 884722050 /nfs/dbraw/zinc/72/20/50/884722050.db2.gz WFWQRAYTXGUODL-HXUWFJFHSA-N 0 0 404.850 4.032 20 5 HIBDRN Cc1ccc(-c2cnc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)s2)c(C)c1 ZINC000470354345 884747033 /nfs/dbraw/zinc/74/70/33/884747033.db2.gz YLTFDVOOBKFVBH-UHFFFAOYSA-N 0 0 411.439 4.359 20 5 HIBDRN O=C(c1cc(-c2ccccc2)ns1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000470522613 884915679 /nfs/dbraw/zinc/91/56/79/884915679.db2.gz YIBPUOSUNBOXAH-UHFFFAOYSA-N 0 0 409.467 4.402 20 5 HIBDRN COc1ccc([C@@H](NCc2c([N+](=O)[O-])ncn2C)c2ccccc2Cl)c(C)c1 ZINC000470533406 884931898 /nfs/dbraw/zinc/93/18/98/884931898.db2.gz TUCKULFWBDGJRM-LJQANCHMSA-N 0 0 400.866 4.178 20 5 HIBDRN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1nc(C(F)(F)F)cs1 ZINC000470573005 884990420 /nfs/dbraw/zinc/99/04/20/884990420.db2.gz DHOGQCINIDMJPL-QMMMGPOBSA-N 0 0 405.373 4.364 20 5 HIBDRN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000470583079 884998440 /nfs/dbraw/zinc/99/84/40/884998440.db2.gz PPEBSICCIUJNTL-LJQANCHMSA-N 0 0 401.850 4.049 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000470748704 885213450 /nfs/dbraw/zinc/21/34/50/885213450.db2.gz YTBXZLBJZJJANF-UHFFFAOYSA-N 0 0 412.471 4.456 20 5 HIBDRN O=C(Nc1ccccc1O[C@H]1CCOC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000470779595 885250367 /nfs/dbraw/zinc/25/03/67/885250367.db2.gz NTRYEDVNHDFHMG-HNNXBMFYSA-N 0 0 411.439 4.138 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(Cc1cccs1)CC(F)(F)F ZINC000470787157 885264843 /nfs/dbraw/zinc/26/48/43/885264843.db2.gz 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CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC000470973812 885475100 /nfs/dbraw/zinc/47/51/00/885475100.db2.gz HHNQBMRYWYYRFE-UHFFFAOYSA-N 0 0 421.409 4.137 20 5 HIBDRN O=C([C@@H]1CCN(CC(F)(F)F)C1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000470984612 885487187 /nfs/dbraw/zinc/48/71/87/885487187.db2.gz RPGJFZORLZHFSH-MRXNPFEDSA-N 0 0 407.392 4.012 20 5 HIBDRN Cc1ccc([C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000471074572 885595370 /nfs/dbraw/zinc/59/53/70/885595370.db2.gz MFAQDOLGAYBDBT-NRFANRHFSA-N 0 0 410.861 4.269 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])cc1OCCC ZINC000471169600 885726566 /nfs/dbraw/zinc/72/65/66/885726566.db2.gz PVBDSBICMABOPU-HXUWFJFHSA-N 0 0 409.483 4.205 20 5 HIBDRN CCOc1cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000471173391 885732153 /nfs/dbraw/zinc/73/21/53/885732153.db2.gz OVLVGGWTTLUQGT-MNOVXSKESA-N 0 0 405.373 4.197 20 5 HIBDRN Cc1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cccc1NC(=O)N(C)C 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/nfs/dbraw/zinc/01/21/89/913012189.db2.gz LACAXQBFCTVOAV-AWEZNQCLSA-N 0 0 424.375 4.077 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NCc3ccc4ncccc4c3)cc2[N+](=O)[O-])CC1 ZINC000471503297 886204649 /nfs/dbraw/zinc/20/46/49/886204649.db2.gz LZFQVDPKWZUJCM-UHFFFAOYSA-N 0 0 404.470 4.309 20 5 HIBDRN O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000471509816 886211735 /nfs/dbraw/zinc/21/17/35/886211735.db2.gz BZQIHYRWBZOJSZ-QUCCMNQESA-N 0 0 411.477 4.403 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C12CCOCC2 ZINC000471546988 886254159 /nfs/dbraw/zinc/25/41/59/886254159.db2.gz GYOKBVMWRQVKHB-RTBURBONSA-N 0 0 422.547 4.047 20 5 HIBDRN O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000471626273 886345104 /nfs/dbraw/zinc/34/51/04/886345104.db2.gz JGEDZYIABRHNHU-UHFFFAOYSA-N 0 0 423.404 4.488 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC000471671928 886382181 /nfs/dbraw/zinc/38/21/81/886382181.db2.gz 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HIBDRN O=C(NCc1ccco1)c1cccc(COc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000471885252 886665915 /nfs/dbraw/zinc/66/59/15/886665915.db2.gz NXFQUSBTKKFPOV-UHFFFAOYSA-N 0 0 403.394 4.245 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000471982126 886809662 /nfs/dbraw/zinc/80/96/62/886809662.db2.gz ADTVPXIPSMFAPX-STQMWFEESA-N 0 0 413.409 4.214 20 5 HIBDRN Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000472006585 886830189 /nfs/dbraw/zinc/83/01/89/886830189.db2.gz ROUABPBFPXGGCV-UHFFFAOYSA-N 0 0 403.179 4.479 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCSC[C@@H]1c1nccs1 ZINC000472109560 886896988 /nfs/dbraw/zinc/89/69/88/886896988.db2.gz AQAMBWLLSBXFJH-CQSZACIVSA-N 0 0 418.525 4.105 20 5 HIBDRN COCCC1(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CCC1 ZINC000472185876 886984203 /nfs/dbraw/zinc/98/42/03/886984203.db2.gz DZBFAEDVOXXOKZ-UHFFFAOYSA-N 0 0 421.544 4.448 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000472223924 887028234 /nfs/dbraw/zinc/02/82/34/887028234.db2.gz QAKCZTHNXJPJQP-UHFFFAOYSA-N 0 0 418.375 4.346 20 5 HIBDRN Cc1cc(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c(Br)s1 ZINC000472234500 887042031 /nfs/dbraw/zinc/04/20/31/887042031.db2.gz RAEUBAVNLITTJS-UHFFFAOYSA-N 0 0 412.309 4.268 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccc(F)cc1C(F)(F)F ZINC000472355288 887191901 /nfs/dbraw/zinc/19/19/01/887191901.db2.gz YSEXNLNGEWZKOH-UHFFFAOYSA-N 0 0 413.371 4.197 20 5 HIBDRN COc1c(F)cc(F)cc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000472504464 887372228 /nfs/dbraw/zinc/37/22/28/887372228.db2.gz SFBBLEABYYYZDX-GFCCVEGCSA-N 0 0 405.401 4.370 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C)CC3(C)C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000472634505 887498582 /nfs/dbraw/zinc/49/85/82/887498582.db2.gz CDZCMQZOVQWZKC-CABCVRRESA-N 0 0 401.507 4.116 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1-n1cccn1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000472679882 887534548 /nfs/dbraw/zinc/53/45/48/887534548.db2.gz 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O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000473338889 888072274 /nfs/dbraw/zinc/07/22/74/888072274.db2.gz HHRMZMZHJXYVOY-UHFFFAOYSA-N 0 0 413.311 4.259 20 5 HIBDRN Cn1nc(C(F)F)c2cc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)sc21 ZINC000473397742 888113022 /nfs/dbraw/zinc/11/30/22/888113022.db2.gz BIWHOWPYGMTYIA-UHFFFAOYSA-N 0 0 418.385 4.123 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCSC[C@H]3c3nccs3)o2)c1 ZINC000473451528 888176531 /nfs/dbraw/zinc/17/65/31/888176531.db2.gz VKIHTCOCTRVYLN-HNNXBMFYSA-N 0 0 402.501 4.039 20 5 HIBDRN Cc1cc(NCc2ccnc(OC3CCOCC3)c2)c(Br)cc1[N+](=O)[O-] ZINC000473514832 888245021 /nfs/dbraw/zinc/24/50/21/888245021.db2.gz YHLRZSDYDGHQMA-UHFFFAOYSA-N 0 0 422.279 4.231 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000473528130 888264986 /nfs/dbraw/zinc/26/49/86/888264986.db2.gz HGNWJYWMBUDBQE-IVAFGUPBSA-N 0 0 406.529 4.032 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@]2(CCCOC2)C1 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PCXHHARERZKYJS-UHFFFAOYSA-N 0 0 400.478 4.407 20 5 HIBDRN Cc1cc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)sc1Cl ZINC000473936617 888814432 /nfs/dbraw/zinc/81/44/32/888814432.db2.gz JPPHHRFWIFKLNY-CQSZACIVSA-N 0 0 404.922 4.054 20 5 HIBDRN C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1noc(-c2ccccc2)n1 ZINC000474036688 888882483 /nfs/dbraw/zinc/88/24/83/888882483.db2.gz ULHLCMGOKVPDJU-HNNXBMFYSA-N 0 0 409.446 4.028 20 5 HIBDRN COCc1cc([N+](=O)[O-])ccc1NCc1cc(OC)c(OC)cc1Br ZINC000474141898 888965968 /nfs/dbraw/zinc/96/59/68/888965968.db2.gz NSBQZTPUSHKNDX-UHFFFAOYSA-N 0 0 411.252 4.133 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000474146860 888973958 /nfs/dbraw/zinc/97/39/58/888973958.db2.gz YHPVZKZRXCLLJH-HXUWFJFHSA-N 0 0 415.490 4.304 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000474214272 889053940 /nfs/dbraw/zinc/05/39/40/889053940.db2.gz RDTJIJUGQIQZQI-CYBMUJFWSA-N 0 0 417.874 4.350 20 5 HIBDRN CN(CC1(c2ccccc2)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000474225087 889065546 /nfs/dbraw/zinc/06/55/46/889065546.db2.gz CXNXMTATEYLOIE-UHFFFAOYSA-N 0 0 403.276 4.090 20 5 HIBDRN Cn1c(=O)c2c3c(sc2nc1SCc1c(F)cccc1[N+](=O)[O-])CCCC3 ZINC000504541101 913320151 /nfs/dbraw/zinc/32/01/51/913320151.db2.gz GNZVTWCDGJNQEM-UHFFFAOYSA-N 0 0 405.476 4.213 20 5 HIBDRN CSCc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000474343331 889217929 /nfs/dbraw/zinc/21/79/29/889217929.db2.gz YZRZFCZRVUNKQT-UHFFFAOYSA-N 0 0 409.305 4.079 20 5 HIBDRN COc1ccc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c(Br)c1OC ZINC000504550184 913326363 /nfs/dbraw/zinc/32/63/63/913326363.db2.gz ZHHRTUQTMVJNFY-UHFFFAOYSA-N 0 0 418.247 4.286 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)ccc1[N+](=O)[O-] ZINC000504552195 913326549 /nfs/dbraw/zinc/32/65/49/913326549.db2.gz ASDHNSCXLFUXHV-UHFFFAOYSA-N 0 0 417.421 4.059 20 5 HIBDRN CCc1cnc(CN(C)C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000474469918 889334133 /nfs/dbraw/zinc/33/41/33/889334133.db2.gz IHDKIJYDLBBLAI-CQSZACIVSA-N 0 0 402.520 4.122 20 5 HIBDRN CCOc1cc(C(=O)N[C@](C)(c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000504571523 913338994 /nfs/dbraw/zinc/33/89/94/913338994.db2.gz WMJDGNVUDJXIAS-GOSISDBHSA-N 0 0 412.364 4.210 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(C)(=O)=O)c(C)c1 ZINC000504585577 913346266 /nfs/dbraw/zinc/34/62/66/913346266.db2.gz OBGZTAMCGIDXFA-UHFFFAOYSA-N 0 0 408.501 4.061 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000504592984 913351163 /nfs/dbraw/zinc/35/11/63/913351163.db2.gz ORFWYDUIZXSUFP-UHFFFAOYSA-N 0 0 419.547 4.104 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000474752501 889610285 /nfs/dbraw/zinc/61/02/85/889610285.db2.gz FJQWVSZVRPLMSG-UONOGXRCSA-N 0 0 418.877 4.213 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000474755122 889613635 /nfs/dbraw/zinc/61/36/35/889613635.db2.gz WTKBLEHYXBHUKH-UONOGXRCSA-N 0 0 413.865 4.093 20 5 HIBDRN COc1cccc(Cl)c1-c1noc(C)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000474770849 889629501 /nfs/dbraw/zinc/62/95/01/889629501.db2.gz BMPZWKWHVKCZTQ-UHFFFAOYSA-N 0 0 415.833 4.492 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3coc(C4CCOCC4)n3)n2)cc1[N+](=O)[O-] ZINC000474778501 889635571 /nfs/dbraw/zinc/63/55/71/889635571.db2.gz ABUDNMJQRQICCJ-UHFFFAOYSA-N 0 0 414.443 4.161 20 5 HIBDRN C[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000474849507 889706599 /nfs/dbraw/zinc/70/65/99/889706599.db2.gz FCNRHNYKWWHFPW-AWEZNQCLSA-N 0 0 417.893 4.405 20 5 HIBDRN COc1cc(C)ccc1Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2OC)cn1 ZINC000474869637 889723253 /nfs/dbraw/zinc/72/32/53/889723253.db2.gz OGHVIGXDGUHDQD-UHFFFAOYSA-N 0 0 409.398 4.360 20 5 HIBDRN C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ncnn1C ZINC000474876832 889732063 /nfs/dbraw/zinc/73/20/63/889732063.db2.gz XBHMKKZHKZXNFD-NSHDSACASA-N 0 0 417.878 4.019 20 5 HIBDRN Cc1sc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000474890611 889747001 /nfs/dbraw/zinc/74/70/01/889747001.db2.gz KGGHVMDGNQTYRI-AWEZNQCLSA-N 0 0 400.378 4.197 20 5 HIBDRN CCCCOc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1OC ZINC000474898890 889758779 /nfs/dbraw/zinc/75/87/79/889758779.db2.gz LOLTUYSHUFQMDJ-CQSZACIVSA-N 0 0 402.447 4.282 20 5 HIBDRN CCCCOc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1OC ZINC000474898889 889758900 /nfs/dbraw/zinc/75/89/00/889758900.db2.gz LOLTUYSHUFQMDJ-AWEZNQCLSA-N 0 0 402.447 4.282 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000474914790 889775965 /nfs/dbraw/zinc/77/59/65/889775965.db2.gz ZEBVZBAYUQGBQN-NSHDSACASA-N 0 0 409.895 4.009 20 5 HIBDRN COc1c(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])oc2ccccc21 ZINC000474930557 889789010 /nfs/dbraw/zinc/78/90/10/889789010.db2.gz QONZUGKKGYBLMC-LLVKDONJSA-N 0 0 404.806 4.087 20 5 HIBDRN COc1c(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)oc2ccccc21 ZINC000474931090 889789158 /nfs/dbraw/zinc/78/91/58/889789158.db2.gz YXLAVEIUGVYWMK-UHFFFAOYSA-N 0 0 405.204 4.042 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CCSC1 ZINC000475014216 889867131 /nfs/dbraw/zinc/86/71/31/889867131.db2.gz DKRHZGMAEQFOBQ-GFCCVEGCSA-N 0 0 406.485 4.192 20 5 HIBDRN COc1c(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000475021628 889873798 /nfs/dbraw/zinc/87/37/98/889873798.db2.gz BLOGTYLCTQEWRC-HNNXBMFYSA-N 0 0 405.248 4.343 20 5 HIBDRN Cc1ccc(-n2cccn2)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000475068034 889913342 /nfs/dbraw/zinc/91/33/42/889913342.db2.gz OAWNNZAWYIBMME-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3ccc(-n4cncn4)cc3C)n2)cc1[N+](=O)[O-] ZINC000475124981 889986363 /nfs/dbraw/zinc/98/63/63/889986363.db2.gz MFDCDXVEGNBBDU-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN Cc1cc(N(C)C)cc(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000504668884 913408760 /nfs/dbraw/zinc/40/87/60/913408760.db2.gz IWUMZLQOLBQGQX-UHFFFAOYSA-N 0 0 406.280 4.221 20 5 HIBDRN COc1c(CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])oc2ccccc21 ZINC000475142246 890009470 /nfs/dbraw/zinc/00/94/70/890009470.db2.gz ASWMASNVZVVLHX-UHFFFAOYSA-N 0 0 422.384 4.292 20 5 HIBDRN COC(=O)[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1cccs1 ZINC000475144956 890011851 /nfs/dbraw/zinc/01/18/51/890011851.db2.gz JKYKCJAZGAMUFG-HXUWFJFHSA-N 0 0 411.483 4.428 20 5 HIBDRN COC(=O)[C@@H](CC(F)(F)F)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475146993 890015389 /nfs/dbraw/zinc/01/53/89/890015389.db2.gz AJMVYEBYYIJZDZ-CYBMUJFWSA-N 0 0 406.744 4.092 20 5 HIBDRN O=[N+]([O-])c1ccccc1CNc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000475171671 890038337 /nfs/dbraw/zinc/03/83/37/890038337.db2.gz FFVKKZQLGLEKCK-UHFFFAOYSA-N 0 0 418.421 4.459 20 5 HIBDRN CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475192373 890061611 /nfs/dbraw/zinc/06/16/11/890061611.db2.gz SNJDQIBJSJTAFL-OAHLLOKOSA-N 0 0 411.380 4.419 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCc2c(F)ccc(F)c2C1 ZINC000475193705 890063828 /nfs/dbraw/zinc/06/38/28/890063828.db2.gz WUJZLABTNJZNIF-UHFFFAOYSA-N 0 0 401.291 4.482 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc([S@](C)=O)cc1 ZINC000475198967 890068806 /nfs/dbraw/zinc/06/88/06/890068806.db2.gz YOMVERUHBATQCC-RNOVWYRCSA-N 0 0 415.393 4.234 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000504674355 913412315 /nfs/dbraw/zinc/41/23/15/913412315.db2.gz XQOMQAUAAJAKCH-INIZCTEOSA-N 0 0 412.837 4.402 20 5 HIBDRN O=C(NCc1ncc(-c2ccccc2)cn1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475210075 890079059 /nfs/dbraw/zinc/07/90/59/890079059.db2.gz TYNHDKPDNRAHJO-UHFFFAOYSA-N 0 0 417.347 4.392 20 5 HIBDRN Cc1noc(C2CCC(NC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)n1 ZINC000475214076 890083447 /nfs/dbraw/zinc/08/34/47/890083447.db2.gz HZGGXNLMWQBTDT-UHFFFAOYSA-N 0 0 413.356 4.153 20 5 HIBDRN O=C(NCc1noc(-c2cccs2)n1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475216804 890087448 /nfs/dbraw/zinc/08/74/48/890087448.db2.gz CPMUCVHFQZNEOU-UHFFFAOYSA-N 0 0 413.337 4.047 20 5 HIBDRN Cc1c(CNCc2c(F)ccc(I)c2F)cccc1[N+](=O)[O-] ZINC000475224074 890093763 /nfs/dbraw/zinc/09/37/63/890093763.db2.gz MUCUUVUSNOOKOF-UHFFFAOYSA-N 0 0 418.181 4.076 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000475232578 890104205 /nfs/dbraw/zinc/10/42/05/890104205.db2.gz JSLJYKFSOUYBJY-LJQANCHMSA-N 0 0 417.425 4.289 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000475243688 890122767 /nfs/dbraw/zinc/12/27/67/890122767.db2.gz LUQOAIBHIDUZPO-CYBMUJFWSA-N 0 0 421.295 4.434 20 5 HIBDRN COc1c(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cccc1[N+](=O)[O-] ZINC000475257814 890148140 /nfs/dbraw/zinc/14/81/40/890148140.db2.gz SJQZPPHBBYGPNZ-CQSZACIVSA-N 0 0 411.458 4.036 20 5 HIBDRN COc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475279406 890174044 /nfs/dbraw/zinc/17/40/44/890174044.db2.gz NPEBWALJBSVKGI-GXSJLCMTSA-N 0 0 416.318 4.317 20 5 HIBDRN Cc1c(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cccc1NC(=O)N(C)C ZINC000475338581 890259826 /nfs/dbraw/zinc/25/98/26/890259826.db2.gz ZQWZIMKDTPVLHP-UHFFFAOYSA-N 0 0 408.462 4.009 20 5 HIBDRN COc1cccc(NCCC(=O)Nc2cc(Br)ccc2C)c1[N+](=O)[O-] ZINC000475362022 890290220 /nfs/dbraw/zinc/29/02/20/890290220.db2.gz RMISDJSZABUYQR-UHFFFAOYSA-N 0 0 408.252 4.115 20 5 HIBDRN COC(=O)[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000475374722 890303586 /nfs/dbraw/zinc/30/35/86/890303586.db2.gz QSYXIEFVBDYXSI-RDTXWAMCSA-N 0 0 402.422 4.157 20 5 HIBDRN Cc1ccc(Cl)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 ZINC000475379484 890307251 /nfs/dbraw/zinc/30/72/51/890307251.db2.gz JAXMMTYUENYNDJ-UHFFFAOYSA-N 0 0 403.851 4.089 20 5 HIBDRN CCOc1cc(NC(=O)[C@H]2CCN(c3ccccc3)[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000475472280 890380167 /nfs/dbraw/zinc/38/01/67/890380167.db2.gz UZJWAYYNFITKND-RDJZCZTQSA-N 0 0 413.474 4.246 20 5 HIBDRN COc1cccc(N2CCN(C(=O)c3sc4ccccc4c3C)CC2)c1[N+](=O)[O-] ZINC000475505083 890419607 /nfs/dbraw/zinc/41/96/07/890419607.db2.gz WROUAMWWPYQVMV-UHFFFAOYSA-N 0 0 411.483 4.089 20 5 HIBDRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000475558021 890486099 /nfs/dbraw/zinc/48/60/99/890486099.db2.gz GPCFRAUZLVMUNC-LJQANCHMSA-N 0 0 413.474 4.433 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000475566754 890498300 /nfs/dbraw/zinc/49/83/00/890498300.db2.gz AICJXWTWZFHFLT-QGZVFWFLSA-N 0 0 420.473 4.408 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000475570599 890501271 /nfs/dbraw/zinc/50/12/71/890501271.db2.gz TVRUKAGXWOWRNB-SFHVURJKSA-N 0 0 410.474 4.028 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccc(SC)cc1 ZINC000475582625 890511908 /nfs/dbraw/zinc/51/19/08/890511908.db2.gz KVOVVOIDMLQMKP-KRWDZBQOSA-N 0 0 417.487 4.359 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475630713 890570967 /nfs/dbraw/zinc/57/09/67/890570967.db2.gz IKTKQWVNALMKRJ-QVKFZJNVSA-N 0 0 418.877 4.420 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000475642308 890584292 /nfs/dbraw/zinc/58/42/92/890584292.db2.gz BFKAOKJJJNMISI-IBGZPJMESA-N 0 0 423.494 4.192 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475644443 890586833 /nfs/dbraw/zinc/58/68/33/890586833.db2.gz YZFDBFHJNAZKAZ-LLVKDONJSA-N 0 0 413.400 4.470 20 5 HIBDRN CC(C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000475773200 890717060 /nfs/dbraw/zinc/71/70/60/890717060.db2.gz SLQZYJCFWRIFMW-UHFFFAOYSA-N 0 0 400.328 4.227 20 5 HIBDRN CC[C@@H](CSc1ccccc1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000504744306 913481013 /nfs/dbraw/zinc/48/10/13/913481013.db2.gz AFOFNCUJOZIELD-INIZCTEOSA-N 0 0 410.499 4.296 20 5 HIBDRN 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CDLLTDNHFSXSQJ-UHFFFAOYSA-N 0 0 406.236 4.193 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000476282043 891201093 /nfs/dbraw/zinc/20/10/93/891201093.db2.gz ZOOSGWHNJJCUAG-SECBINFHSA-N 0 0 415.755 4.024 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000476317842 891226317 /nfs/dbraw/zinc/22/63/17/891226317.db2.gz PEYBWHSZXKQQRA-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN COc1c(C(=O)N(Cc2csc(Br)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000476419475 891330979 /nfs/dbraw/zinc/33/09/79/891330979.db2.gz SEKJPPKXJXNDRT-UHFFFAOYSA-N 0 0 411.277 4.232 20 5 HIBDRN Cc1ccc(-n2c(SCc3c([N+](=O)[O-])ncn3C)nnc2-c2ccccc2)cc1C ZINC000476453976 891366959 /nfs/dbraw/zinc/36/69/59/891366959.db2.gz BIVKUKPQGWLUCT-UHFFFAOYSA-N 0 0 420.498 4.485 20 5 HIBDRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000476468768 891379920 /nfs/dbraw/zinc/37/99/20/891379920.db2.gz LIBZKPWCSDFYIO-UHFFFAOYSA-N 0 0 411.502 4.256 20 5 HIBDRN 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ZINC000476616572 891549631 /nfs/dbraw/zinc/54/96/31/891549631.db2.gz HTOPDQCNQPJLAM-QGZVFWFLSA-N 0 0 403.504 4.085 20 5 HIBDRN Cc1cc(S(=O)(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)ccc1[N+](=O)[O-] ZINC000476621637 891556555 /nfs/dbraw/zinc/55/65/55/891556555.db2.gz BTIITFLVMNDATF-IBGZPJMESA-N 0 0 403.504 4.023 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000476636332 891575271 /nfs/dbraw/zinc/57/52/71/891575271.db2.gz NUAXLJMVFWZRQL-KRWDZBQOSA-N 0 0 403.504 4.023 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3cccnc3N3CCCCC3)no2)ccc1NC1CC1 ZINC000504851125 913575492 /nfs/dbraw/zinc/57/54/92/913575492.db2.gz GAGJFVYLUACTEZ-UHFFFAOYSA-N 0 0 406.446 4.271 20 5 HIBDRN Cc1nc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nn1-c1c(Cl)cccc1Cl ZINC000476678556 891628252 /nfs/dbraw/zinc/62/82/52/891628252.db2.gz SRPZDUYSSJQGQD-UHFFFAOYSA-N 0 0 406.229 4.351 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@H]1C ZINC000476773834 891749065 /nfs/dbraw/zinc/74/90/65/891749065.db2.gz DRXJLYZVKADYDK-PBHICJAKSA-N 0 0 414.483 4.017 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@H]1C ZINC000476783359 891764000 /nfs/dbraw/zinc/76/40/00/891764000.db2.gz XZJUAZNJOCTDNT-PBHICJAKSA-N 0 0 420.531 4.148 20 5 HIBDRN C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000476848601 891821173 /nfs/dbraw/zinc/82/11/73/891821173.db2.gz FEJQCVIQOXABCE-UKRRQHHQSA-N 0 0 422.407 4.253 20 5 HIBDRN COc1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000476860467 891827090 /nfs/dbraw/zinc/82/70/90/891827090.db2.gz ZUOIKNMBMCWFQD-AWEZNQCLSA-N 0 0 420.849 4.457 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000476873365 891835083 /nfs/dbraw/zinc/83/50/83/891835083.db2.gz VVPXIIFWGVUVQW-KRWDZBQOSA-N 0 0 422.254 4.447 20 5 HIBDRN O=C(NC[C@@H]1CCCC1=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000476910026 891861706 /nfs/dbraw/zinc/86/17/06/891861706.db2.gz ANSDHFYUXZWEHN-LBPRGKRZSA-N 0 0 404.875 4.498 20 5 HIBDRN 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O=C(CCN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000477013427 891938876 /nfs/dbraw/zinc/93/88/76/891938876.db2.gz SFELHVHYVFXECK-GOSISDBHSA-N 0 0 423.391 4.016 20 5 HIBDRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477039208 891964624 /nfs/dbraw/zinc/96/46/24/891964624.db2.gz HGYWGTHVPMMEMJ-UHFFFAOYSA-N 0 0 419.890 4.084 20 5 HIBDRN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000477042216 891968035 /nfs/dbraw/zinc/96/80/35/891968035.db2.gz HLLMMWGWKXVQRR-OAQYLSRUSA-N 0 0 424.478 4.365 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000477043670 891970570 /nfs/dbraw/zinc/97/05/70/891970570.db2.gz AIOVTFKRNAFBTC-UHFFFAOYSA-N 0 0 409.870 4.122 20 5 HIBDRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477071095 892004868 /nfs/dbraw/zinc/00/48/68/892004868.db2.gz BHWUIKUUCGXKHT-OAHLLOKOSA-N 0 0 413.449 4.238 20 5 HIBDRN C[C@H](Nc1c([N+](=O)[O-])ncn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000477141057 892067598 /nfs/dbraw/zinc/06/75/98/892067598.db2.gz SKVIJSPAEIVBFH-VIFPVBQESA-N 0 0 408.281 4.387 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1ccc(F)c(Br)c1 ZINC000477171332 892092934 /nfs/dbraw/zinc/09/29/34/892092934.db2.gz OMPMPFPORDEXAO-UHFFFAOYSA-N 0 0 415.646 4.431 20 5 HIBDRN COc1ccc(CC2CCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)cc1 ZINC000504903944 913636275 /nfs/dbraw/zinc/63/62/75/913636275.db2.gz TZJJETIIDSUBIW-UHFFFAOYSA-N 0 0 400.500 4.420 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1cccc(COCc2ccccc2)c1 ZINC000477309812 892270806 /nfs/dbraw/zinc/27/08/06/892270806.db2.gz QXTBOOICFHMQGE-UHFFFAOYSA-N 0 0 408.429 4.310 20 5 HIBDRN CC(C)C(=O)N1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000477335305 892304615 /nfs/dbraw/zinc/30/46/15/892304615.db2.gz APJDUXACPGGQRE-UHFFFAOYSA-N 0 0 417.893 4.341 20 5 HIBDRN COc1cccc(-c2noc([C@H](C)NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000477353691 892319680 /nfs/dbraw/zinc/31/96/80/892319680.db2.gz 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Cc1cc(C(=O)NCc2cc(Br)ccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000504942468 913682442 /nfs/dbraw/zinc/68/24/42/913682442.db2.gz JOQMWDQBLBAATD-UHFFFAOYSA-N 0 0 415.190 4.197 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000477609329 892700221 /nfs/dbraw/zinc/70/02/21/892700221.db2.gz FQMOUFSQSLSQIF-UHFFFAOYSA-N 0 0 403.797 4.323 20 5 HIBDRN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000477622497 892730480 /nfs/dbraw/zinc/73/04/80/892730480.db2.gz QWEXCVHZTMFZKW-AWEZNQCLSA-N 0 0 424.284 4.227 20 5 HIBDRN O=C(Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000477690764 892811683 /nfs/dbraw/zinc/81/16/83/892811683.db2.gz JGGDBQVTEPKZOT-UHFFFAOYSA-N 0 0 410.333 4.090 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000477804651 892877227 /nfs/dbraw/zinc/87/72/27/892877227.db2.gz WCUHTQNEXAUPEF-UHFFFAOYSA-N 0 0 402.834 4.039 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000477810572 892881007 /nfs/dbraw/zinc/88/10/07/892881007.db2.gz NRFQYZBAFIHCBI-UHFFFAOYSA-N 0 0 416.861 4.445 20 5 HIBDRN CO[C@@]1(C)CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000477814855 892884132 /nfs/dbraw/zinc/88/41/32/892884132.db2.gz ARPZCRJNVHUBHX-AOMKIAJQSA-N 0 0 412.490 4.194 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@](C)(OC)CC2)cc1 ZINC000477875206 892935757 /nfs/dbraw/zinc/93/57/57/892935757.db2.gz IPEQKDPWCCGVRE-QFIPXVFZSA-N 0 0 414.458 4.427 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000477887710 892954999 /nfs/dbraw/zinc/95/49/99/892954999.db2.gz FJDJBSUUAUFFEK-UHFFFAOYSA-N 0 0 408.439 4.216 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc([N+](=O)[O-])c1C ZINC000477904995 892977186 /nfs/dbraw/zinc/97/71/86/892977186.db2.gz PZFWKKLMVLLUSR-UHFFFAOYSA-N 0 0 411.439 4.223 20 5 HIBDRN Cc1coc(-c2cc(NC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc2C)n1 ZINC000477971133 893064362 /nfs/dbraw/zinc/06/43/62/893064362.db2.gz BUOUCNDAGNNKTC-UHFFFAOYSA-N 0 0 421.457 4.221 20 5 HIBDRN Cc1c(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnn1-c1cc(C)ccc1C ZINC000477973398 893067438 /nfs/dbraw/zinc/06/74/38/893067438.db2.gz YEXHXKHGEUHUHZ-UHFFFAOYSA-N 0 0 407.474 4.412 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000478004375 893109268 /nfs/dbraw/zinc/10/92/68/893109268.db2.gz QKZDZVMPLPUVBL-LDYMZIIASA-N 0 0 406.261 4.186 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000478006649 893115147 /nfs/dbraw/zinc/11/51/47/893115147.db2.gz XKALICBEWVGFNL-VXNVDRBHSA-N 0 0 401.669 4.358 20 5 HIBDRN CCOC[C@H]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000478047079 893192093 /nfs/dbraw/zinc/19/20/93/893192093.db2.gz LRMDFIBIQOCLNO-MGPUTAFESA-N 0 0 417.893 4.286 20 5 HIBDRN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000478056189 893212115 /nfs/dbraw/zinc/21/21/15/893212115.db2.gz XQZRIZYEIRVXLT-UHFFFAOYSA-N 0 0 405.410 4.283 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000478159470 893329306 /nfs/dbraw/zinc/32/93/06/893329306.db2.gz SZAHHUKLOYNUQM-OAHLLOKOSA-N 0 0 417.512 4.347 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000478189990 893352083 /nfs/dbraw/zinc/35/20/83/893352083.db2.gz KIINGVKHZOIZET-UHFFFAOYSA-N 0 0 414.220 4.142 20 5 HIBDRN Cc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1N1C(=O)CNC1=O ZINC000478205618 893367867 /nfs/dbraw/zinc/36/78/67/893367867.db2.gz QLPQBFFTVFVMAG-UHFFFAOYSA-N 0 0 410.433 4.005 20 5 HIBDRN CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@H](CC(N)=O)c1ccccc1 ZINC000478223962 893385181 /nfs/dbraw/zinc/38/51/81/893385181.db2.gz GNSWTAYGZWYHLY-HXUWFJFHSA-N 0 0 418.453 4.027 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478227277 893388724 /nfs/dbraw/zinc/38/87/24/893388724.db2.gz LUQSHUXWDGGRNS-UHFFFAOYSA-N 0 0 410.861 4.454 20 5 HIBDRN Cc1nn(C)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000478233448 893394662 /nfs/dbraw/zinc/39/46/62/893394662.db2.gz UCPQWWLDVLBNPZ-UHFFFAOYSA-N 0 0 416.890 4.371 20 5 HIBDRN Cc1nc(-c2ccc(CCNC(=O)NCc3cccc([N+](=O)[O-])c3C)s2)cs1 ZINC000478287020 893494093 /nfs/dbraw/zinc/49/40/93/893494093.db2.gz UEZNEEURQALQTM-UHFFFAOYSA-N 0 0 416.528 4.439 20 5 HIBDRN Cc1cc(Br)cc(C)c1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000478301234 893519700 /nfs/dbraw/zinc/51/97/00/893519700.db2.gz IAXOVQFZPYFGMQ-UHFFFAOYSA-N 0 0 407.264 4.059 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@]2(C1)OCc1ccccc12 ZINC000478316527 893543245 /nfs/dbraw/zinc/54/32/45/893543245.db2.gz SAXXONHRFUVXDI-OAQYLSRUSA-N 0 0 416.861 4.065 20 5 HIBDRN Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000478326853 893556633 /nfs/dbraw/zinc/55/66/33/893556633.db2.gz VWMNLZVIDTZNRM-INIZCTEOSA-N 0 0 405.227 4.431 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000478337862 893574623 /nfs/dbraw/zinc/57/46/23/893574623.db2.gz IWQCKCFAQQAQIG-KBPBESRZSA-N 0 0 404.488 4.278 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000478340121 893580211 /nfs/dbraw/zinc/58/02/11/893580211.db2.gz KSEAGLCYPYABRU-MRXNPFEDSA-N 0 0 422.503 4.439 20 5 HIBDRN O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000478373072 893636621 /nfs/dbraw/zinc/63/66/21/893636621.db2.gz TZGLSWJKOZLAQA-UHFFFAOYSA-N 0 0 417.400 4.293 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)CCCOCc3ccccc3)co2)cc1 ZINC000478377794 893646082 /nfs/dbraw/zinc/64/60/82/893646082.db2.gz FXKUHKGWKDXLGP-MUUNZHRXSA-N 0 0 400.456 4.105 20 5 HIBDRN C[C@H](CC[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)OCc1ccccc1 ZINC000478385636 893659255 /nfs/dbraw/zinc/65/92/55/893659255.db2.gz UKQRQSZMLIVTSL-HYDGNGQDSA-N 0 0 414.483 4.494 20 5 HIBDRN COc1ccc(OC[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)cc1[N+](=O)[O-] ZINC000478398606 893681270 /nfs/dbraw/zinc/68/12/70/893681270.db2.gz KMNUGLJZGDITAG-DVECYGJZSA-N 0 0 423.465 4.458 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478444572 893753399 /nfs/dbraw/zinc/75/33/99/893753399.db2.gz GKVVJLSEXYUNCF-UHFFFAOYSA-N 0 0 406.360 4.308 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000505062192 913800956 /nfs/dbraw/zinc/80/09/56/913800956.db2.gz KGFPNQYFSIYTSS-SJKOYZFVSA-N 0 0 417.874 4.378 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(Br)cc2OCC)cc1[N+](=O)[O-] ZINC000478455953 893775734 /nfs/dbraw/zinc/77/57/34/893775734.db2.gz RBANOWZUTMVWGR-UHFFFAOYSA-N 0 0 409.236 4.407 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000478469166 893796374 /nfs/dbraw/zinc/79/63/74/893796374.db2.gz QWMZICBYXFVWGE-BONVTDFDSA-N 0 0 415.298 4.232 20 5 HIBDRN Cn1c(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2cccc(Cl)c21 ZINC000478471554 893800592 /nfs/dbraw/zinc/80/05/92/893800592.db2.gz ANHUZOCKEGDVLM-UHFFFAOYSA-N 0 0 412.755 4.084 20 5 HIBDRN O=C(NCCc1cccc(OCC(F)(F)F)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000478505095 893818258 /nfs/dbraw/zinc/81/82/58/893818258.db2.gz XLOAWYKJZFAKPM-UHFFFAOYSA-N 0 0 408.332 4.255 20 5 HIBDRN Cc1coc(-c2cc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)ccc2C)n1 ZINC000478506817 893818741 /nfs/dbraw/zinc/81/87/41/893818741.db2.gz OKVKNXZNKMIRAW-UHFFFAOYSA-N 0 0 403.398 4.305 20 5 HIBDRN Cc1coc(-c2cc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)ccc2C)n1 ZINC000478522200 893828166 /nfs/dbraw/zinc/82/81/66/893828166.db2.gz MVCVZQGFQWCPDX-UHFFFAOYSA-N 0 0 403.398 4.305 20 5 HIBDRN C[C@H](C(=O)NCCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000478525551 893830253 /nfs/dbraw/zinc/83/02/53/893830253.db2.gz BWJWETCESXUNAO-LBPRGKRZSA-N 0 0 414.355 4.137 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000478536889 893837243 /nfs/dbraw/zinc/83/72/43/893837243.db2.gz FVVVETCKUPTMQB-QUCCMNQESA-N 0 0 407.470 4.181 20 5 HIBDRN CN(CCc1cccc2ccccc21)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505084968 913810716 /nfs/dbraw/zinc/81/07/16/913810716.db2.gz HKBVMZOVRRUBKW-UHFFFAOYSA-N 0 0 400.438 4.248 20 5 HIBDRN Cc1c(CNC(=O)NC2(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC000478600324 893868154 /nfs/dbraw/zinc/86/81/54/893868154.db2.gz SLTGYWLVWAAYQN-UHFFFAOYSA-N 0 0 404.264 4.154 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000478606457 893871391 /nfs/dbraw/zinc/87/13/91/893871391.db2.gz AWCWJIIZHKKWBY-CQSZACIVSA-N 0 0 403.504 4.139 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000478615357 893877708 /nfs/dbraw/zinc/87/77/08/893877708.db2.gz MLGXOYQGAHYORL-NVXWUHKLSA-N 0 0 414.506 4.080 20 5 HIBDRN CC(=O)c1sc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)nc1-c1ccccc1 ZINC000478654699 893898170 /nfs/dbraw/zinc/89/81/70/893898170.db2.gz AIDVBZDVAMVISM-UHFFFAOYSA-N 0 0 407.411 4.050 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)Nc1cccnn1 ZINC000478680118 893933226 /nfs/dbraw/zinc/93/32/26/893933226.db2.gz GLSOKNDGOHFXND-UHFFFAOYSA-N 0 0 417.784 4.291 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cc([N+](=O)[O-])c1C ZINC000478694016 893954462 /nfs/dbraw/zinc/95/44/62/893954462.db2.gz FVDUCADYXADQCC-UHFFFAOYSA-N 0 0 418.299 4.367 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000478714330 893980240 /nfs/dbraw/zinc/98/02/40/893980240.db2.gz FJGNJKVYLSURGG-UHFFFAOYSA-N 0 0 409.236 4.164 20 5 HIBDRN CCOc1cc(OCC(=O)Nc2ccc(Br)cc2C)ccc1[N+](=O)[O-] ZINC000478730629 894004106 /nfs/dbraw/zinc/00/41/06/894004106.db2.gz NCQKFUGZDSVPMQ-UHFFFAOYSA-N 0 0 409.236 4.082 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000478743470 894017728 /nfs/dbraw/zinc/01/77/28/894017728.db2.gz FTGCVOCWTWVXSK-OAHLLOKOSA-N 0 0 415.446 4.098 20 5 HIBDRN COc1cc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc([N+](=O)[O-])c1C ZINC000478742447 894018641 /nfs/dbraw/zinc/01/86/41/894018641.db2.gz FEDPTCFXBXFMGF-UHFFFAOYSA-N 0 0 417.512 4.378 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000478748146 894022631 /nfs/dbraw/zinc/02/26/31/894022631.db2.gz GJDBWJYIATUKPM-UHFFFAOYSA-N 0 0 409.364 4.023 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C3CCCCC3)nn2C)cc1SC ZINC000478764479 894039609 /nfs/dbraw/zinc/03/96/09/894039609.db2.gz RTFJLMOOBYUOJQ-UHFFFAOYSA-N 0 0 404.492 4.359 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnn(C[C@H](O)COc3ccc(Cl)cc3Cl)c2)c1 ZINC000478772201 894046981 /nfs/dbraw/zinc/04/69/81/894046981.db2.gz MRZLVGPCUFYBMZ-INIZCTEOSA-N 0 0 408.241 4.205 20 5 HIBDRN Cc1c(CC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cccc1[N+](=O)[O-] ZINC000478791271 894067211 /nfs/dbraw/zinc/06/72/11/894067211.db2.gz XIWIUDGGAJTWSO-UHFFFAOYSA-N 0 0 406.826 4.395 20 5 HIBDRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000478809681 894082939 /nfs/dbraw/zinc/08/29/39/894082939.db2.gz CPQMTCBSVMVWPC-IAGOWNOFSA-N 0 0 401.488 4.138 20 5 HIBDRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C12CCC2 ZINC000478813536 894086709 /nfs/dbraw/zinc/08/67/09/894086709.db2.gz 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C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000479073468 894337789 /nfs/dbraw/zinc/33/77/89/894337789.db2.gz DNOHFLHZTFTISK-AWEZNQCLSA-N 0 0 404.430 4.228 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](C)c2ccc(-n3cccn3)c(F)c2)c1[N+](=O)[O-] ZINC000505177620 913863816 /nfs/dbraw/zinc/86/38/16/913863816.db2.gz WPDXIBHWSRKHSJ-GFCCVEGCSA-N 0 0 400.435 4.133 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000479194337 894461210 /nfs/dbraw/zinc/46/12/10/894461210.db2.gz YHEIJAQJSJBPKD-QFIPXVFZSA-N 0 0 423.444 4.373 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)F)c2cccnc12 ZINC000479245006 894508321 /nfs/dbraw/zinc/50/83/21/894508321.db2.gz ABFXJVMIAJFMBD-UHFFFAOYSA-N 0 0 405.382 4.475 20 5 HIBDRN O=C(NCCCCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000479255807 894522983 /nfs/dbraw/zinc/52/29/83/894522983.db2.gz WSGBSMNHHUWEAN-UHFFFAOYSA-N 0 0 413.218 4.388 20 5 HIBDRN Cc1cccc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c1[N+](=O)[O-] ZINC000479257906 894525352 /nfs/dbraw/zinc/52/53/52/894525352.db2.gz YIEXEEUDGBJMRJ-INIZCTEOSA-N 0 0 423.238 4.019 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(OC(F)F)c3cccnc23)cc([N+](=O)[O-])c1OC ZINC000479265036 894534489 /nfs/dbraw/zinc/53/44/89/894534489.db2.gz YJTCEDFMNSUJAC-UHFFFAOYSA-N 0 0 419.340 4.014 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1 ZINC000505204103 913881816 /nfs/dbraw/zinc/88/18/16/913881816.db2.gz MOUUALFLCYTBPS-OALUTQOASA-N 0 0 402.472 4.251 20 5 HIBDRN CC[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 ZINC000479321867 894610965 /nfs/dbraw/zinc/61/09/65/894610965.db2.gz VBIKXXGLYINJON-LLVKDONJSA-N 0 0 402.398 4.329 20 5 HIBDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000479336745 894629275 /nfs/dbraw/zinc/62/92/75/894629275.db2.gz WJVVYGCVCRLBJS-UHFFFAOYSA-N 0 0 412.364 4.293 20 5 HIBDRN CC(=O)Nc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2F)nc1-c1ccccc1 ZINC000479343654 894637389 /nfs/dbraw/zinc/63/73/89/894637389.db2.gz 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895920564 /nfs/dbraw/zinc/92/05/64/895920564.db2.gz XTQURFIUDLGKLD-UHFFFAOYSA-N 0 0 420.487 4.016 20 5 HIBDRN Cc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccn2)cc1 ZINC000480634608 896004121 /nfs/dbraw/zinc/00/41/21/896004121.db2.gz UTOLSTDLLVLWJM-IBGZPJMESA-N 0 0 417.874 4.020 20 5 HIBDRN CCSc1ccc(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000505364169 914028349 /nfs/dbraw/zinc/02/83/49/914028349.db2.gz MCRIMHBTWFDBAA-UHFFFAOYSA-N 0 0 400.500 4.319 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000480685182 896047113 /nfs/dbraw/zinc/04/71/13/896047113.db2.gz LXBLCGROIYMKLG-UHFFFAOYSA-N 0 0 416.503 4.167 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1 ZINC000480726847 896086175 /nfs/dbraw/zinc/08/61/75/896086175.db2.gz RNZCZZAVBPNHMF-ZDUSSCGKSA-N 0 0 401.488 4.487 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccccc2OC(F)(F)F)cc1OC(F)F ZINC000480786983 896152341 /nfs/dbraw/zinc/15/23/41/896152341.db2.gz OFCIVRZIEROTOU-NSHDSACASA-N 0 0 408.279 4.240 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCc2cc(Br)ccc2C1 ZINC000480809825 896178539 /nfs/dbraw/zinc/17/85/39/896178539.db2.gz CULXSCUQVKHCKH-UHFFFAOYSA-N 0 0 409.667 4.138 20 5 HIBDRN Cc1c(Br)c(N[C@H](C)c2ccc(Br)cn2)ncc1[N+](=O)[O-] ZINC000480851388 896221420 /nfs/dbraw/zinc/22/14/20/896221420.db2.gz ZZCQMSPJTWPXEZ-MRVPVSSYSA-N 0 0 416.073 4.391 20 5 HIBDRN CC(C)(C)[C@H]1C[C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000480997920 896330473 /nfs/dbraw/zinc/33/04/73/896330473.db2.gz FUQYKSCUFRNBOL-CZUORRHYSA-N 0 0 417.428 4.126 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000505391424 914057131 /nfs/dbraw/zinc/05/71/31/914057131.db2.gz FPXAHTHJQSNNEJ-ZDUSSCGKSA-N 0 0 424.226 4.368 20 5 HIBDRN C[C@H](NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000481021643 896350781 /nfs/dbraw/zinc/35/07/81/896350781.db2.gz VUJGTIGEKFQHDH-UFMUVLMGSA-N 0 0 424.284 4.262 20 5 HIBDRN CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H](c1csc2ccccc21)c1cccnc1 ZINC000481029801 896357427 /nfs/dbraw/zinc/35/74/27/896357427.db2.gz BVUDHEPYAOYCLD-NRFANRHFSA-N 0 0 421.482 4.039 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](CSc3ccccc3)C2)c1[N+](=O)[O-] ZINC000481045837 896369692 /nfs/dbraw/zinc/36/96/92/896369692.db2.gz HBAGSVAIGMPXPL-MRXNPFEDSA-N 0 0 406.529 4.015 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCO[C@H](C(C)(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000481074517 896393578 /nfs/dbraw/zinc/39/35/78/896393578.db2.gz CFAKYWCTDLFONK-SYNHAJSKSA-N 0 0 403.523 4.155 20 5 HIBDRN COc1ccc([C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 ZINC000505401141 914065955 /nfs/dbraw/zinc/06/59/55/914065955.db2.gz BBQDNMYQCRXIQK-INIZCTEOSA-N 0 0 400.378 4.115 20 5 HIBDRN COC(=O)c1ccc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C(F)(F)F)cc1 ZINC000481125826 896452149 /nfs/dbraw/zinc/45/21/49/896452149.db2.gz PQMFETZZBCHODR-OAHLLOKOSA-N 0 0 411.336 4.115 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000481131705 896458261 /nfs/dbraw/zinc/45/82/61/896458261.db2.gz AMTVUKZCECDFNI-UHFFFAOYSA-N 0 0 419.484 4.204 20 5 HIBDRN O=C(N[C@@H]1CCCc2c(O)cccc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000481193410 896546410 /nfs/dbraw/zinc/54/64/10/896546410.db2.gz STQOONUGPAEOTA-LJQANCHMSA-N 0 0 420.415 4.473 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000481197769 896549992 /nfs/dbraw/zinc/54/99/92/896549992.db2.gz JBCNOYKSAWLGIX-KRWDZBQOSA-N 0 0 424.526 4.237 20 5 HIBDRN COc1cccc(C(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2cccc(OC)c2)c1 ZINC000481200657 896555315 /nfs/dbraw/zinc/55/53/15/896555315.db2.gz IVNKAJICKRWECG-UHFFFAOYSA-N 0 0 406.438 4.060 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2cc(Br)c(Cl)cc21 ZINC000481206740 896559617 /nfs/dbraw/zinc/55/96/17/896559617.db2.gz PHHMEXXHXKMFNZ-UHFFFAOYSA-N 0 0 411.639 4.358 20 5 HIBDRN O=C(Nc1nc2cc(F)c(Br)cc2s1)c1ccc([N+](=O)[O-])s1 ZINC000481291283 896636612 /nfs/dbraw/zinc/63/66/12/896636612.db2.gz VNVUDBSZTHQLJU-UHFFFAOYSA-N 0 0 402.226 4.420 20 5 HIBDRN Cc1nc(-c2ccccc2C)sc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000481315828 896667343 /nfs/dbraw/zinc/66/73/43/896667343.db2.gz ZBCYGMGOJSBQIW-UHFFFAOYSA-N 0 0 422.510 4.298 20 5 HIBDRN C[C@@H](Cn1ccnc1)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481449912 896845780 /nfs/dbraw/zinc/84/57/80/896845780.db2.gz UQTIPGITCQCTBE-ZDUSSCGKSA-N 0 0 400.822 4.056 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)cc([N+](=O)[O-])c1 ZINC000481450614 896847063 /nfs/dbraw/zinc/84/70/63/896847063.db2.gz VKFXRTJVZUIJGK-CQSZACIVSA-N 0 0 400.431 4.050 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000481512234 896880803 /nfs/dbraw/zinc/88/08/03/896880803.db2.gz WSVOCAZDIMRNIY-GOSISDBHSA-N 0 0 416.499 4.015 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000481525714 896888422 /nfs/dbraw/zinc/88/84/22/896888422.db2.gz CKNKEHBORLBUKQ-XUTJKUGGSA-N 0 0 422.460 4.272 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000481563410 896940262 /nfs/dbraw/zinc/94/02/62/896940262.db2.gz NKJYVDKSOVSISS-UHFFFAOYSA-N 0 0 403.851 4.131 20 5 HIBDRN COC(=O)[C@](C)(NCc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)c(Cl)c1 ZINC000481602862 896983447 /nfs/dbraw/zinc/98/34/47/896983447.db2.gz ASCSMDNCIWNAFI-QGZVFWFLSA-N 0 0 401.221 4.219 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481677015 897060352 /nfs/dbraw/zinc/06/03/52/897060352.db2.gz YFWSQCRGUDRSNX-UHFFFAOYSA-N 0 0 418.881 4.094 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(NCc2ccccc2-c2ccc(Cn3cncn3)cc2)n1 ZINC000481706623 897097399 /nfs/dbraw/zinc/09/73/99/897097399.db2.gz OBCUMRUIQFWQBK-UHFFFAOYSA-N 0 0 400.442 4.217 20 5 HIBDRN COc1cc(CN[C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000505457968 914128478 /nfs/dbraw/zinc/12/84/78/914128478.db2.gz PMMBGXDDKSAPCN-JTQLQIEISA-N 0 0 402.344 4.376 20 5 HIBDRN Cn1ncc2c1CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000481736569 897131058 /nfs/dbraw/zinc/13/10/58/897131058.db2.gz CMSNCYJOKFTAPO-GOSISDBHSA-N 0 0 408.483 4.287 20 5 HIBDRN CCOc1cc(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000505459936 914131032 /nfs/dbraw/zinc/13/10/32/914131032.db2.gz JTJVSIZVJZUWJH-WFASDCNBSA-N 0 0 424.375 4.307 20 5 HIBDRN CCOc1cc(NC(=O)Cc2coc3cc(F)ccc23)c([N+](=O)[O-])cc1OCC ZINC000481763689 897152091 /nfs/dbraw/zinc/15/20/91/897152091.db2.gz DKZSLKYUUJVTAO-UHFFFAOYSA-N 0 0 402.378 4.459 20 5 HIBDRN COc1cc(CN[C@H](C)c2cccc(F)c2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000505463434 914135040 /nfs/dbraw/zinc/13/50/40/914135040.db2.gz BGZNDQRSYWCBNY-SNVBAGLBSA-N 0 0 402.344 4.376 20 5 HIBDRN O=C(c1ccc(-c2cncnc2)cc1F)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000481813939 897187725 /nfs/dbraw/zinc/18/77/25/897187725.db2.gz LPODZXFNNHVYBI-FQEVSTJZSA-N 0 0 410.430 4.079 20 5 HIBDRN CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ccc([N+](=O)[O-])c(C)n1 ZINC000481837676 897203886 /nfs/dbraw/zinc/20/38/86/897203886.db2.gz OVNLNQAVOFAMRX-UHFFFAOYSA-N 0 0 405.867 4.293 20 5 HIBDRN CCn1c(Sc2cc(C)nc(-c3ccccn3)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481842983 897208939 /nfs/dbraw/zinc/20/89/39/897208939.db2.gz RLGJBYGOLNSOGX-UHFFFAOYSA-N 0 0 419.470 4.185 20 5 HIBDRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000481867666 897237554 /nfs/dbraw/zinc/23/75/54/897237554.db2.gz MOJHBHIJXRCTFL-GFCCVEGCSA-N 0 0 421.266 4.260 20 5 HIBDRN CCS(=O)(=O)c1c(Cl)cccc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000481890712 897267045 /nfs/dbraw/zinc/26/70/45/897267045.db2.gz HDCTXZAJVJRWEI-UHFFFAOYSA-N 0 0 408.907 4.206 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1SC ZINC000481897363 897275439 /nfs/dbraw/zinc/27/54/39/897275439.db2.gz CLKHYCRRQSPTMK-UHFFFAOYSA-N 0 0 412.471 4.131 20 5 HIBDRN COC(=O)c1cc(OCC(=O)N(c2ccccc2)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000481901166 897279564 /nfs/dbraw/zinc/27/95/64/897279564.db2.gz PVZYSXYGNBOCJQ-UHFFFAOYSA-N 0 0 412.442 4.126 20 5 HIBDRN CCOc1cc(NC(=O)c2cccnc2OCC(C)C)c([N+](=O)[O-])cc1OCC ZINC000481930230 897314351 /nfs/dbraw/zinc/31/43/51/897314351.db2.gz IIBYXKRNYMJDJZ-UHFFFAOYSA-N 0 0 403.435 4.074 20 5 HIBDRN COC(=O)c1cc(OCc2nc(-c3cccc(C(F)(F)F)c3)no2)ccc1[N+](=O)[O-] ZINC000481943115 897329623 /nfs/dbraw/zinc/32/96/23/897329623.db2.gz NIOKVUXKYXQDKX-UHFFFAOYSA-N 0 0 423.303 4.029 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])O[C@H](C)C2 ZINC000481950205 897339007 /nfs/dbraw/zinc/33/90/07/897339007.db2.gz BTLUPBZSQHMRSH-LLVKDONJSA-N 0 0 418.471 4.300 20 5 HIBDRN O=C(COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000481978299 897372129 /nfs/dbraw/zinc/37/21/29/897372129.db2.gz CSJOUIGMRXKLPI-HXUWFJFHSA-N 0 0 418.449 4.204 20 5 HIBDRN COC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000481995339 897392379 /nfs/dbraw/zinc/39/23/79/897392379.db2.gz YXVBDSRNLPXJOB-UHFFFAOYSA-N 0 0 403.866 4.111 20 5 HIBDRN CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1C(F)(F)F ZINC000482040505 897457924 /nfs/dbraw/zinc/45/79/24/897457924.db2.gz KQKFIIGUKAGIGW-ZDUSSCGKSA-N 0 0 423.229 4.337 20 5 HIBDRN CCc1ccc([C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CCO2)cc1 ZINC000482046446 897469150 /nfs/dbraw/zinc/46/91/50/897469150.db2.gz UJFAAPCQNBIQIF-HXUWFJFHSA-N 0 0 423.494 4.494 20 5 HIBDRN CC1(C)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[C@H]1C(F)(F)F ZINC000482060798 897491593 /nfs/dbraw/zinc/49/15/93/897491593.db2.gz NAQZJCARNTVTEH-QGZVFWFLSA-N 0 0 413.440 4.248 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000505492407 914177528 /nfs/dbraw/zinc/17/75/28/914177528.db2.gz ZOKYXYKCYDLKGI-WBVHZDCISA-N 0 0 403.360 4.241 20 5 HIBDRN C[C@@H](O)[C@@](C)(CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000482179485 897647487 /nfs/dbraw/zinc/64/74/87/897647487.db2.gz JJIUNRRJRMTWAG-JLTOFOAXSA-N 0 0 422.934 4.086 20 5 HIBDRN COc1cc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)ccc1OC1CCCC1 ZINC000482184521 897654251 /nfs/dbraw/zinc/65/42/51/897654251.db2.gz PGBOKVOMCVFRHB-UHFFFAOYSA-N 0 0 409.442 4.336 20 5 HIBDRN CO[C@H]1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC000482195127 897669158 /nfs/dbraw/zinc/66/91/58/897669158.db2.gz ZUCAWWARLXZPBL-XOQYZJNISA-N 0 0 423.494 4.383 20 5 HIBDRN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000482225060 897704554 /nfs/dbraw/zinc/70/45/54/897704554.db2.gz JZCRHGHPOBFMFV-JKSUJKDBSA-N 0 0 413.440 4.296 20 5 HIBDRN O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000482254386 897736298 /nfs/dbraw/zinc/73/62/98/897736298.db2.gz IOCJFIQDNXGNRD-NSHDSACASA-N 0 0 413.783 4.276 20 5 HIBDRN O=C(Nc1cccc(Oc2ccccn2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000482268359 897754325 /nfs/dbraw/zinc/75/43/25/897754325.db2.gz JXBXNUJHBMZXPF-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCc2c(F)cc(F)cc2C1 ZINC000482313799 897812032 /nfs/dbraw/zinc/81/20/32/897812032.db2.gz IVRODTFDXGIOCS-UHFFFAOYSA-N 0 0 401.394 4.195 20 5 HIBDRN Cc1cc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc([N+](=O)[O-])c1 ZINC000482335764 897841813 /nfs/dbraw/zinc/84/18/13/897841813.db2.gz NCYIXZBPGJXYKZ-WZONZLPQSA-N 0 0 418.453 4.147 20 5 HIBDRN COCc1cccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000482361022 897879944 /nfs/dbraw/zinc/87/99/44/897879944.db2.gz XPNHGFZHGHDJSN-UHFFFAOYSA-N 0 0 405.454 4.283 20 5 HIBDRN Cn1cc([C@H]2CSCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cn1 ZINC000482399573 897937803 /nfs/dbraw/zinc/93/78/03/897937803.db2.gz OZKAYUGNXHYWQY-HXUWFJFHSA-N 0 0 423.498 4.002 20 5 HIBDRN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000505526013 914218599 /nfs/dbraw/zinc/21/85/99/914218599.db2.gz LDPSBKQLZJOVJL-GFCCVEGCSA-N 0 0 409.820 4.045 20 5 HIBDRN CCCCCn1nc(C)cc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000482589659 898187855 /nfs/dbraw/zinc/18/78/55/898187855.db2.gz UJICEWBJGRIFCT-UHFFFAOYSA-N 0 0 424.505 4.404 20 5 HIBDRN CCS[C@H](C)c1noc(CN(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000482592081 898190873 /nfs/dbraw/zinc/19/08/73/898190873.db2.gz JIAZKHRLPVBZHH-CHWSQXEVSA-N 0 0 407.496 4.003 20 5 HIBDRN CCCCn1ncc(NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)c1C(C)C ZINC000482711598 898311441 /nfs/dbraw/zinc/31/14/41/898311441.db2.gz WPVRFDQXARCBOE-UHFFFAOYSA-N 0 0 402.451 4.144 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000505542912 914241595 /nfs/dbraw/zinc/24/15/95/914241595.db2.gz NAWWGLXPPXRCJP-WMZOPIPTSA-N 0 0 407.392 4.478 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000482735592 898338368 /nfs/dbraw/zinc/33/83/68/898338368.db2.gz MHKGHTPLVOHKBM-CQSZACIVSA-N 0 0 413.305 4.038 20 5 HIBDRN CCc1c(NC(=O)c2cc([N+](=O)[O-])cnc2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC000482750161 898355025 /nfs/dbraw/zinc/35/50/25/898355025.db2.gz XTLWOKCVGBPFOC-UHFFFAOYSA-N 0 0 419.363 4.317 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000505545344 914245705 /nfs/dbraw/zinc/24/57/05/914245705.db2.gz RGWVHDYDUNIPEA-UHFFFAOYSA-N 0 0 401.316 4.359 20 5 HIBDRN CN(Cc1ccc(F)cc1Br)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000482774591 898384018 /nfs/dbraw/zinc/38/40/18/898384018.db2.gz XREXOLKETQXDRA-UHFFFAOYSA-N 0 0 406.211 4.250 20 5 HIBDRN Cc1noc(C)c1Cc1noc(-c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000482780430 898388734 /nfs/dbraw/zinc/38/87/34/898388734.db2.gz OLNNRWXQJMISOA-CHWSQXEVSA-N 0 0 411.462 4.323 20 5 HIBDRN CC[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1F ZINC000482792646 898400560 /nfs/dbraw/zinc/40/05/60/898400560.db2.gz QKMKHTZASPWXTF-LBPRGKRZSA-N 0 0 400.328 4.340 20 5 HIBDRN Cc1nc(-c2ccc(C)c(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c2)n[nH]1 ZINC000482794936 898404047 /nfs/dbraw/zinc/40/40/47/898404047.db2.gz IBRUMGJCZCUXRY-UHFFFAOYSA-N 0 0 420.454 4.373 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCOc4ncccc43)cc2[N+](=O)[O-])cc1 ZINC000482803392 898412940 /nfs/dbraw/zinc/41/29/40/898412940.db2.gz FTXARDVCLQYQES-UHFFFAOYSA-N 0 0 407.451 4.489 20 5 HIBDRN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1ccccc1Br ZINC000482811920 898423269 /nfs/dbraw/zinc/42/32/69/898423269.db2.gz NRJJKOBFSCRMPG-SNVBAGLBSA-N 0 0 413.655 4.208 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000482825399 898432863 /nfs/dbraw/zinc/43/28/63/898432863.db2.gz CPRVCDZCVRPVEQ-NRFANRHFSA-N 0 0 422.547 4.287 20 5 HIBDRN CC[C@@H]1CCc2ccccc2N1C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] ZINC000482826335 898434799 /nfs/dbraw/zinc/43/47/99/898434799.db2.gz MHPFXAUBXPQITA-MRXNPFEDSA-N 0 0 414.458 4.000 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000482857307 898468774 /nfs/dbraw/zinc/46/87/74/898468774.db2.gz OAQFWNTYVMBITM-NRFANRHFSA-N 0 0 422.547 4.143 20 5 HIBDRN CC(C)(NC(=O)Cc1c[nH]c2cc(Br)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000482858426 898470730 /nfs/dbraw/zinc/47/07/30/898470730.db2.gz OQXSWKKQZORLFM-UHFFFAOYSA-N 0 0 416.275 4.433 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000482887507 898503092 /nfs/dbraw/zinc/50/30/92/898503092.db2.gz KOSVGKUFAAKUFN-RYUDHWBXSA-N 0 0 424.375 4.410 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000482903712 898522968 /nfs/dbraw/zinc/52/29/68/898522968.db2.gz QPCQAWSMUCYTRE-LSDHHAIUSA-N 0 0 409.417 4.113 20 5 HIBDRN CC(C)c1nn(C)cc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000482917903 898534453 /nfs/dbraw/zinc/53/44/53/898534453.db2.gz PVAKRZXQVRTMJI-UHFFFAOYSA-N 0 0 423.260 4.197 20 5 HIBDRN CC(C)COc1ncccc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000482928211 898548772 /nfs/dbraw/zinc/54/87/72/898548772.db2.gz DBFXDUYPIWHAEO-UHFFFAOYSA-N 0 0 411.380 4.229 20 5 HIBDRN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2c(F)cccc2[N+](=O)[O-])C1=O ZINC000505560397 914264965 /nfs/dbraw/zinc/26/49/65/914264965.db2.gz RLPQOIKKANBPTB-KRWDZBQOSA-N 0 0 412.204 4.008 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCSCC[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000482957691 898587265 /nfs/dbraw/zinc/58/72/65/898587265.db2.gz ISUJZFHZVBRPAT-GFCCVEGCSA-N 0 0 409.558 4.479 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)F)nc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000482958365 898588694 /nfs/dbraw/zinc/58/86/94/898588694.db2.gz CECPNDFBQTZBFE-UHFFFAOYSA-N 0 0 410.352 4.127 20 5 HIBDRN O=C(CN(Cc1cccnc1)c1ccccc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000482959975 898589589 /nfs/dbraw/zinc/58/95/89/898589589.db2.gz DWWMIOHZNSJOGH-UHFFFAOYSA-N 0 0 424.888 4.009 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1OCC(F)(F)F ZINC000505562587 914267172 /nfs/dbraw/zinc/26/71/72/914267172.db2.gz UVNYYMITAUDMDL-UHFFFAOYSA-N 0 0 402.300 4.083 20 5 HIBDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000482999739 898649429 /nfs/dbraw/zinc/64/94/29/898649429.db2.gz ZAHISACRFGHNGU-UHFFFAOYSA-N 0 0 408.458 4.448 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000505567758 914273084 /nfs/dbraw/zinc/27/30/84/914273084.db2.gz BTVVZPXAIXQWSM-CYBMUJFWSA-N 0 0 424.844 4.387 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000483060951 898739285 /nfs/dbraw/zinc/73/92/85/898739285.db2.gz AYSVTGPGASKDHC-UHFFFAOYSA-N 0 0 407.829 4.083 20 5 HIBDRN COc1cc(C(=O)N2CCO[C@H](C)[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000483073857 898756592 /nfs/dbraw/zinc/75/65/92/898756592.db2.gz VNDXKCBEJYAVAC-QWHCGFSZSA-N 0 0 420.849 4.299 20 5 HIBDRN CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)CC2 ZINC000483075133 898758772 /nfs/dbraw/zinc/75/87/72/898758772.db2.gz PESSBZQKRLBLTJ-QGZVFWFLSA-N 0 0 420.469 4.452 20 5 HIBDRN COc1c(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000483082187 898768030 /nfs/dbraw/zinc/76/80/30/898768030.db2.gz ADKZPXWXJGILPO-CYBMUJFWSA-N 0 0 413.455 4.039 20 5 HIBDRN Cc1cc(C)c(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1I ZINC000483120215 898807712 /nfs/dbraw/zinc/80/77/12/898807712.db2.gz LTDVCQQVHBCERE-UHFFFAOYSA-N 0 0 410.211 4.093 20 5 HIBDRN Cc1cc(C)c(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1I ZINC000483126787 898812226 /nfs/dbraw/zinc/81/22/26/898812226.db2.gz ZNYZGHNMINRYAJ-UHFFFAOYSA-N 0 0 422.222 4.019 20 5 HIBDRN Cc1cc(C)c(-c2nnc(SCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 ZINC000483268915 898907642 /nfs/dbraw/zinc/90/76/42/898907642.db2.gz LIQLKOYZRITHGI-UHFFFAOYSA-N 0 0 412.471 4.325 20 5 HIBDRN O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000505588145 914295436 /nfs/dbraw/zinc/29/54/36/914295436.db2.gz VMXVEKHHMUFCBU-RDJZCZTQSA-N 0 0 419.403 4.500 20 5 HIBDRN Cc1c2ccccc2oc1[C@H](NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000483278273 898915464 /nfs/dbraw/zinc/91/54/64/898915464.db2.gz VNPSPRNQSDAKGI-LJQANCHMSA-N 0 0 409.442 4.410 20 5 HIBDRN CCOC(=O)[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cccc(O)c1 ZINC000483347469 898981060 /nfs/dbraw/zinc/98/10/60/898981060.db2.gz WGWHJXCRHXNDQO-FQEVSTJZSA-N 0 0 412.467 4.423 20 5 HIBDRN Cn1cc([C@@H]2CSCCN2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000483426074 899055380 /nfs/dbraw/zinc/05/53/80/899055380.db2.gz LGBPMZVABKYBRB-SFHVURJKSA-N 0 0 400.529 4.347 20 5 HIBDRN COc1ccccc1-c1nc(C2CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)no1 ZINC000483429460 899059146 /nfs/dbraw/zinc/05/91/46/899059146.db2.gz RAZRCLZPMUMNKM-UHFFFAOYSA-N 0 0 424.457 4.042 20 5 HIBDRN COc1cc(CNCC(F)(F)C(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000483435220 899066497 /nfs/dbraw/zinc/06/64/97/899066497.db2.gz XGQLQCBPHWRBPL-UHFFFAOYSA-N 0 0 402.344 4.172 20 5 HIBDRN COc1cc(CN2CC3(CCOCC3)c3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000483436332 899069171 /nfs/dbraw/zinc/06/91/71/899069171.db2.gz HZVNIZDUZZJXAI-UHFFFAOYSA-N 0 0 420.412 4.273 20 5 HIBDRN C[C@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@H](C)S1=O ZINC000483437073 899069230 /nfs/dbraw/zinc/06/92/30/899069230.db2.gz KCMNVHWXFGNLOG-KBPBESRZSA-N 0 0 408.907 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899489961 /nfs/dbraw/zinc/48/99/61/899489961.db2.gz YFRCLPJPDYHCKB-UHFFFAOYSA-N 0 0 410.211 4.093 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)c([N+](=O)[O-])cc1OCC ZINC000483815127 899493439 /nfs/dbraw/zinc/49/34/39/899493439.db2.gz BZSXKLQSEYMKIE-SFHVURJKSA-N 0 0 419.482 4.035 20 5 HIBDRN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000483821417 899499014 /nfs/dbraw/zinc/49/90/14/899499014.db2.gz QWXXHJBPXKKNQM-CQSZACIVSA-N 0 0 415.515 4.357 20 5 HIBDRN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000483836743 899516225 /nfs/dbraw/zinc/51/62/25/899516225.db2.gz IGWOWDCROZTICA-UHFFFAOYSA-N 0 0 410.474 4.206 20 5 HIBDRN COc1cc(C(=O)Nc2n[nH]c(-c3cccc4ccccc43)n2)cc([N+](=O)[O-])c1C ZINC000483837712 899517246 /nfs/dbraw/zinc/51/72/46/899517246.db2.gz XDLNCAUADQASBQ-UHFFFAOYSA-N 0 0 403.398 4.102 20 5 HIBDRN O=C(CN1CCc2cc(Cl)ccc2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000483988437 899630267 /nfs/dbraw/zinc/63/02/67/899630267.db2.gz 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O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000484435281 899943954 /nfs/dbraw/zinc/94/39/54/899943954.db2.gz HWDDMWQPDYKTHF-INIZCTEOSA-N 0 0 408.433 4.330 20 5 HIBDRN Cc1nc2cc(Br)cc(NC(=O)CCc3cccc([N+](=O)[O-])c3)c2o1 ZINC000484474011 899968101 /nfs/dbraw/zinc/96/81/01/899968101.db2.gz LBSMRINJEQDMHF-UHFFFAOYSA-N 0 0 404.220 4.378 20 5 HIBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CCO1 ZINC000484523344 900011632 /nfs/dbraw/zinc/01/16/32/900011632.db2.gz WIUWTLIFGOAKGU-UHFFFAOYSA-N 0 0 403.866 4.111 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000484533585 900020348 /nfs/dbraw/zinc/02/03/48/900020348.db2.gz LKPPFRZNGUGANG-UHFFFAOYSA-N 0 0 408.863 4.061 20 5 HIBDRN Cc1ccc(-c2ccc(C)c(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2)o1 ZINC000484555731 900032035 /nfs/dbraw/zinc/03/20/35/900032035.db2.gz IOTOSRPMOXHUIV-UHFFFAOYSA-N 0 0 407.382 4.018 20 5 HIBDRN O=C(Nc1ccc(-c2ccc(Br)s2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000484584711 900049414 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C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000485268766 900550130 /nfs/dbraw/zinc/55/01/30/900550130.db2.gz SBQNVXLJHDDNJS-VIFPVBQESA-N 0 0 401.307 4.216 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CS(=O)(=O)[C@@H](C)c3cc([N+](=O)[O-])ccc3C)cc2)n1 ZINC000485271543 900551673 /nfs/dbraw/zinc/55/16/73/900551673.db2.gz LAIIPCHAWYEMAC-KRWDZBQOSA-N 0 0 413.499 4.382 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1F ZINC000485280756 900559392 /nfs/dbraw/zinc/55/93/92/900559392.db2.gz BPDYLHNZDAWQEQ-JTQLQIEISA-N 0 0 409.801 4.365 20 5 HIBDRN C[C@@H](NC(N)=O)c1noc(-c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 ZINC000485355667 900649873 /nfs/dbraw/zinc/64/98/73/900649873.db2.gz JFPCIMBIFNRLSE-SECBINFHSA-N 0 0 419.850 4.179 20 5 HIBDRN CCCCN(C)C(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC)CC1 ZINC000505805477 914466204 /nfs/dbraw/zinc/46/62/04/914466204.db2.gz RIJHPGYHLWJJNS-UHFFFAOYSA-N 0 0 421.563 4.208 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC000485366772 900663638 /nfs/dbraw/zinc/66/36/38/900663638.db2.gz OSSKOANLKNULGU-UHFFFAOYSA-N 0 0 423.454 4.191 20 5 HIBDRN COc1ccc(Cl)cc1-c1nc(SCc2ccc([N+](=O)[O-])cc2OC)n[nH]1 ZINC000485369829 900667729 /nfs/dbraw/zinc/66/77/29/900667729.db2.gz JYABTPULANJERP-UHFFFAOYSA-N 0 0 406.851 4.343 20 5 HIBDRN COC(=O)CSCc1cccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000485374047 900670546 /nfs/dbraw/zinc/67/05/46/900670546.db2.gz FAPVQABSZBHAKF-ZDUSSCGKSA-N 0 0 420.512 4.120 20 5 HIBDRN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000485387664 900683869 /nfs/dbraw/zinc/68/38/69/900683869.db2.gz GSXBPTNVDXPYFC-UHFFFAOYSA-N 0 0 420.444 4.067 20 5 HIBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1ccc2c(c1)NC(=O)CO2 ZINC000485401572 900699242 /nfs/dbraw/zinc/69/92/42/900699242.db2.gz GVORZNQKDCIXKL-LBPRGKRZSA-N 0 0 408.389 4.300 20 5 HIBDRN COc1cc(Br)cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000485481009 900773817 /nfs/dbraw/zinc/77/38/17/900773817.db2.gz MEYYLMJXTZMKIT-UHFFFAOYSA-N 0 0 417.162 4.220 20 5 HIBDRN Cc1ccnc(-c2cccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])c2)n1 ZINC000485489391 900780533 /nfs/dbraw/zinc/78/05/33/900780533.db2.gz LRXNWVQXGPOKGP-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CSc2ccc(Br)cc21 ZINC000485503751 900792320 /nfs/dbraw/zinc/79/23/20/900792320.db2.gz JXJOBESTXKHDRL-CYBMUJFWSA-N 0 0 412.240 4.465 20 5 HIBDRN CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)(F)F)c1 ZINC000485508452 900794630 /nfs/dbraw/zinc/79/46/30/900794630.db2.gz DTPXMGDMQMFFJS-UHFFFAOYSA-N 0 0 420.347 4.171 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000485510623 900797554 /nfs/dbraw/zinc/79/75/54/900797554.db2.gz SGKWVWRBMBNING-ZDUSSCGKSA-N 0 0 424.906 4.184 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1c(F)ccc(Br)c1F ZINC000485513339 900798603 /nfs/dbraw/zinc/79/86/03/900798603.db2.gz AQLWAVYHSQULFD-UHFFFAOYSA-N 0 0 413.218 4.388 20 5 HIBDRN 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ZINC000485672177 900923242 /nfs/dbraw/zinc/92/32/42/900923242.db2.gz QIDHSWWELMKWPC-UHFFFAOYSA-N 0 0 402.204 4.172 20 5 HIBDRN Cc1cc(Br)cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000485675120 900926035 /nfs/dbraw/zinc/92/60/35/900926035.db2.gz RFUKKHQETBCPBB-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN CSCc1cccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000485684939 900935219 /nfs/dbraw/zinc/93/52/19/900935219.db2.gz RKWBBNVCEYVLER-UHFFFAOYSA-N 0 0 401.307 4.212 20 5 HIBDRN C[C@H]1CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])c2cccc(Cl)c2O1 ZINC000485697599 900946663 /nfs/dbraw/zinc/94/66/63/900946663.db2.gz PZYZLOMRFVOUJQ-ZETCQYMHSA-N 0 0 417.668 4.500 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCO[C@H](COCC3CC3)C2)ccc1Oc1ccc(F)cc1 ZINC000485705058 900953679 /nfs/dbraw/zinc/95/36/79/900953679.db2.gz NPUZKIPWGNCSTI-FQEVSTJZSA-N 0 0 416.449 4.154 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000485731914 900983434 /nfs/dbraw/zinc/98/34/34/900983434.db2.gz ISVPLDRRUSCIOR-OKILXGFUSA-N 0 0 401.488 4.183 20 5 HIBDRN CC(C)Oc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cn1 ZINC000485748277 901003374 /nfs/dbraw/zinc/00/33/74/901003374.db2.gz MXXNJHNNVBBZML-UHFFFAOYSA-N 0 0 421.453 4.286 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000485773112 901029528 /nfs/dbraw/zinc/02/95/28/901029528.db2.gz GCCBMMCNRSGYHO-AWEZNQCLSA-N 0 0 412.364 4.078 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](CSc2ccccc2)C1 ZINC000485774316 901030826 /nfs/dbraw/zinc/03/08/26/901030826.db2.gz RFKQBOAHAWUJOU-CYBMUJFWSA-N 0 0 408.426 4.451 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N(c3ccccc3)[C@H]3CCOC3)cc2[N+](=O)[O-])C1 ZINC000485806418 901056685 /nfs/dbraw/zinc/05/66/85/901056685.db2.gz PJPPYRZMFWWJST-PXNSSMCTSA-N 0 0 409.486 4.267 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000485892051 901124454 /nfs/dbraw/zinc/12/44/54/901124454.db2.gz NCBRFOFPJJCHBV-UHFFFAOYSA-N 0 0 412.490 4.352 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 ZINC000485936665 901159138 /nfs/dbraw/zinc/15/91/38/901159138.db2.gz XLQYXIATKMWHQW-UHFFFAOYSA-N 0 0 406.394 4.213 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cnc(-c3ccsc3)s2)c(C)c([N+](=O)[O-])c1 ZINC000485938348 901159600 /nfs/dbraw/zinc/15/96/00/901159600.db2.gz FLVGKBJHACGYGJ-UHFFFAOYSA-N 0 0 403.441 4.127 20 5 HIBDRN CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485940206 901160846 /nfs/dbraw/zinc/16/08/46/901160846.db2.gz OFBPVCYTPZRFIG-INIZCTEOSA-N 0 0 421.400 4.135 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c(C)c([N+](=O)[O-])c1 ZINC000485952026 901171473 /nfs/dbraw/zinc/17/14/73/901171473.db2.gz OUOMNSVVXIUXEN-GJZGRUSLSA-N 0 0 422.359 4.451 20 5 HIBDRN CCS[C@@H](C)c1noc(CN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000485966166 901182228 /nfs/dbraw/zinc/18/22/28/901182228.db2.gz OWXLWVNBKDUJKP-ZDUSSCGKSA-N 0 0 417.491 4.121 20 5 HIBDRN Cc1nccn1C[C@H]1CCCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000485983633 901202014 /nfs/dbraw/zinc/20/20/14/901202014.db2.gz RLKBLNKQHSMJSH-CQSZACIVSA-N 0 0 416.279 4.079 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H](C)CSc2ccc(F)cc2)c(C)c([N+](=O)[O-])c1 ZINC000485984944 901203912 /nfs/dbraw/zinc/20/39/12/901203912.db2.gz YRXHQPUDFDRQBU-LLVKDONJSA-N 0 0 406.435 4.196 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cccc(-c3csc(C)n3)c2)c(C)c([N+](=O)[O-])c1 ZINC000485990148 901208159 /nfs/dbraw/zinc/20/81/59/901208159.db2.gz MCKFHDUSKYKBNR-UHFFFAOYSA-N 0 0 411.439 4.374 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000485993139 901211900 /nfs/dbraw/zinc/21/19/00/901211900.db2.gz XXZPAAURGYZTTP-GASCZTMLSA-N 0 0 415.515 4.178 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(Cc3ccc(O)cc3Cl)n2)c(Br)c1 ZINC000486059511 901254167 /nfs/dbraw/zinc/25/41/67/901254167.db2.gz FDQAJBADQBJJCQ-UHFFFAOYSA-N 0 0 424.638 4.281 20 5 HIBDRN CCNc1ccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000486098458 901285250 /nfs/dbraw/zinc/28/52/50/901285250.db2.gz URUSHKKUBVRGPE-UHFFFAOYSA-N 0 0 410.405 4.283 20 5 HIBDRN COc1ccc(-c2cnc(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)o2)cc1 ZINC000486097805 901285913 /nfs/dbraw/zinc/28/59/13/901285913.db2.gz RBWDBPJKADLDLY-UHFFFAOYSA-N 0 0 421.453 4.382 20 5 HIBDRN COc1cc(C=Cc2cc(=O)[nH]c(C3CC3)n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000486102061 901288667 /nfs/dbraw/zinc/28/86/67/901288667.db2.gz HTJNIDCURKTVJI-PLNGDYQASA-N 0 0 411.336 4.088 20 5 HIBDRN CSc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])OCCO2 ZINC000505877829 914523708 /nfs/dbraw/zinc/52/37/08/914523708.db2.gz NLIINASPQKHPJJ-SNVBAGLBSA-N 0 0 424.862 4.147 20 5 HIBDRN O=C(N[C@@H]1CCCOc2c(F)cccc21)c1sc(Br)cc1[N+](=O)[O-] ZINC000486119296 901306206 /nfs/dbraw/zinc/30/62/06/901306206.db2.gz UWIINGODGLCZQQ-SNVBAGLBSA-N 0 0 415.240 4.202 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)CNc2cc([N+](=O)[O-])ccc2OCC)cc1 ZINC000486121679 901307478 /nfs/dbraw/zinc/30/74/78/901307478.db2.gz JNBHYDCEUBLDAW-FQEVSTJZSA-N 0 0 413.474 4.168 20 5 HIBDRN O=C(c1cc(N2CCCC2=O)ccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486149731 901337442 /nfs/dbraw/zinc/33/74/42/901337442.db2.gz KUQUJNRSFRHNMS-UHFFFAOYSA-N 0 0 413.861 4.180 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCSC[C@@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000486150759 901338584 /nfs/dbraw/zinc/33/85/84/901338584.db2.gz IOJBHEJUIQIWSK-AWEZNQCLSA-N 0 0 411.524 4.389 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000486155746 901343799 /nfs/dbraw/zinc/34/37/99/901343799.db2.gz PKZJDVDPNAOXKN-UHFFFAOYSA-N 0 0 405.458 4.064 20 5 HIBDRN CC[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000486162138 901350449 /nfs/dbraw/zinc/35/04/49/901350449.db2.gz GDYPSTLFSKZCRN-JTQLQIEISA-N 0 0 417.256 4.145 20 5 HIBDRN COc1ccc(N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000486203116 901387545 /nfs/dbraw/zinc/38/75/45/901387545.db2.gz FURSWEBSBLQADD-UHFFFAOYSA-N 0 0 405.657 4.357 20 5 HIBDRN CSc1cccc(C(=O)N2CCC(OCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000486204353 901389346 /nfs/dbraw/zinc/38/93/46/901389346.db2.gz NCWRGWZJRMXILR-UHFFFAOYSA-N 0 0 400.500 4.181 20 5 HIBDRN COc1cc(CNc2cc(Cl)ccc2N2CCC(CO)CC2)ccc1[N+](=O)[O-] ZINC000486223757 901407271 /nfs/dbraw/zinc/40/72/71/901407271.db2.gz QZLMMLYESGSULX-UHFFFAOYSA-N 0 0 405.882 4.078 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486235129 901417224 /nfs/dbraw/zinc/41/72/24/901417224.db2.gz SGCNEBRWUZTHJW-ZDUSSCGKSA-N 0 0 406.529 4.484 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000486240360 901421853 /nfs/dbraw/zinc/42/18/53/901421853.db2.gz AQBGVRHMOGOTPQ-CQSZACIVSA-N 0 0 402.472 4.435 20 5 HIBDRN O=C(Nc1ccc(C(=O)C2CCC2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000486268603 901451334 /nfs/dbraw/zinc/45/13/34/901451334.db2.gz SKFQXGJOUOHDGJ-UHFFFAOYSA-N 0 0 407.470 4.433 20 5 HIBDRN COC(=O)c1c(C)c(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1Br ZINC000486284762 901466476 /nfs/dbraw/zinc/46/64/76/901466476.db2.gz QBAIPBHTTRCVDX-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN COc1cc(CN2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000505900726 914542223 /nfs/dbraw/zinc/54/22/23/914542223.db2.gz IAVDFXRRVXXHBU-CQSZACIVSA-N 0 0 408.401 4.106 20 5 HIBDRN O=C(NCCCOc1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486355826 901525345 /nfs/dbraw/zinc/52/53/45/901525345.db2.gz UTXRLZRYNFTMPX-UHFFFAOYSA-N 0 0 406.438 4.373 20 5 HIBDRN COc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1OC ZINC000486363913 901532467 /nfs/dbraw/zinc/53/24/67/901532467.db2.gz DKOBKOLFYBDMJB-UHFFFAOYSA-N 0 0 408.410 4.443 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccc(C)cc2OCC(F)(F)F)c1[N+](=O)[O-] ZINC000486409701 901569034 /nfs/dbraw/zinc/56/90/34/901569034.db2.gz QRNJUFPQGLZMCK-UHFFFAOYSA-N 0 0 414.405 4.496 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3cccc(SC)c3[N+](=O)[O-])n2)cc1 ZINC000486412120 901570053 /nfs/dbraw/zinc/57/00/53/901570053.db2.gz UYBNONJHIAJTKG-LBPRGKRZSA-N 0 0 412.471 4.420 20 5 HIBDRN C[C@@H]1COC[C@H](c2ccccc2)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486425299 901583972 /nfs/dbraw/zinc/58/39/72/901583972.db2.gz MWTVKBFHBRLIBR-ZWNOBZJWSA-N 0 0 411.277 4.021 20 5 HIBDRN C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000486425094 901584258 /nfs/dbraw/zinc/58/42/58/901584258.db2.gz POYRWZZAABJIGI-HRAATJIYSA-N 0 0 418.449 4.468 20 5 HIBDRN COC(=O)CCCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000486485610 901642472 /nfs/dbraw/zinc/64/24/72/901642472.db2.gz GEZKVXRRIMSLJI-UHFFFAOYSA-N 0 0 414.439 4.394 20 5 HIBDRN CSc1cccc(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000486499465 901650922 /nfs/dbraw/zinc/65/09/22/901650922.db2.gz XUSQFNLKFDBWJL-UHFFFAOYSA-N 0 0 400.378 4.488 20 5 HIBDRN Cn1c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)nc2cc(F)ccc21 ZINC000486555903 901703284 /nfs/dbraw/zinc/70/32/84/901703284.db2.gz KVSLCDTVURTQLK-UHFFFAOYSA-N 0 0 422.366 4.238 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCN(C2CC2)c2cc(Cl)ccc21 ZINC000486620309 901756016 /nfs/dbraw/zinc/75/60/16/901756016.db2.gz JWQBLWHSXNKVPL-UHFFFAOYSA-N 0 0 423.860 4.063 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000486638819 901769003 /nfs/dbraw/zinc/76/90/03/901769003.db2.gz IDVQPMFJGZRIJI-DTWKUNHWSA-N 0 0 405.423 4.428 20 5 HIBDRN Cc1ccc(C2(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000486695581 901800072 /nfs/dbraw/zinc/80/00/72/901800072.db2.gz BINKPZNAOJIJRB-UHFFFAOYSA-N 0 0 422.403 4.287 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1SCCc2sccc21 ZINC000486701325 901801249 /nfs/dbraw/zinc/80/12/49/901801249.db2.gz RZUXEEBMVFVSDA-CQSZACIVSA-N 0 0 402.419 4.322 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1COc2ccc(Cl)cc21 ZINC000486705383 901804026 /nfs/dbraw/zinc/80/40/26/901804026.db2.gz USGNMUZFBJHZAS-AWEZNQCLSA-N 0 0 400.740 4.059 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC000486770956 901843689 /nfs/dbraw/zinc/84/36/89/901843689.db2.gz OJXBYFQZYXLDCC-HNNXBMFYSA-N 0 0 404.426 4.042 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000486774062 901844788 /nfs/dbraw/zinc/84/47/88/901844788.db2.gz TZEIGPULTRHYHM-ZDUSSCGKSA-N 0 0 400.435 4.098 20 5 HIBDRN Cc1ccnc(-c2n[nH]c([C@H](C)NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)n2)c1 ZINC000486810275 901866989 /nfs/dbraw/zinc/86/69/89/901866989.db2.gz QKNOXMWHWJCPHA-AWEZNQCLSA-N 0 0 404.430 4.194 20 5 HIBDRN Cc1cnc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)s1 ZINC000486822983 901876589 /nfs/dbraw/zinc/87/65/89/901876589.db2.gz CUABBGSLBIJZJA-UHFFFAOYSA-N 0 0 420.560 4.070 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486856217 901900478 /nfs/dbraw/zinc/90/04/78/901900478.db2.gz GQAHOSHMARKGEJ-KDOFPFPSSA-N 0 0 411.458 4.347 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486856222 901902206 /nfs/dbraw/zinc/90/22/06/901902206.db2.gz GQAHOSHMARKGEJ-RDTXWAMCSA-N 0 0 411.458 4.347 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H](C)c2cccc(OC(C)C)c2)c(C)c([N+](=O)[O-])c1 ZINC000486863928 901909630 /nfs/dbraw/zinc/90/96/30/901909630.db2.gz AYLBAEOJMGROKD-CQSZACIVSA-N 0 0 415.446 4.360 20 5 HIBDRN COC(=O)c1cc(NC(=O)Nc2cnn(CC(C)C)c2C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000486879675 901925384 /nfs/dbraw/zinc/92/53/84/901925384.db2.gz JUBBRDPEZNPWBP-UHFFFAOYSA-N 0 0 417.466 4.310 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)c(C)c([N+](=O)[O-])c1 ZINC000486883572 901930260 /nfs/dbraw/zinc/93/02/60/901930260.db2.gz RJVIBHNUYRSWSQ-BUXKBTBVSA-N 0 0 415.421 4.444 20 5 HIBDRN COC(=O)c1cc(NC(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c(C)c([N+](=O)[O-])c1 ZINC000486906837 901953934 /nfs/dbraw/zinc/95/39/34/901953934.db2.gz XXTPAHOBANCUMQ-UHFFFAOYSA-N 0 0 410.430 4.110 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1SC ZINC000486956924 901988693 /nfs/dbraw/zinc/98/86/93/901988693.db2.gz UCFSUNFSVIWLTB-KRWDZBQOSA-N 0 0 422.890 4.192 20 5 HIBDRN CCOc1cc(NCc2cc(OC)c(OC)cc2Br)ccc1[N+](=O)[O-] ZINC000486969679 901995333 /nfs/dbraw/zinc/99/53/33/901995333.db2.gz OGWBHVORCZDOFI-UHFFFAOYSA-N 0 0 411.252 4.385 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487007733 902011820 /nfs/dbraw/zinc/01/18/20/902011820.db2.gz IATLLUKAYOYTML-UONOGXRCSA-N 0 0 409.273 4.065 20 5 HIBDRN O=C(c1ccc(OCC2CCCCC2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487008323 902011908 /nfs/dbraw/zinc/01/19/08/902011908.db2.gz SYCAAOWQZUQPPG-UHFFFAOYSA-N 0 0 412.490 4.228 20 5 HIBDRN O=C(Nc1cc(Br)ccc1Cl)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000487034326 902030790 /nfs/dbraw/zinc/03/07/90/902030790.db2.gz XZASVNBRFNOHMI-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN Cc1ccccc1COc1ccccc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487094376 902055579 /nfs/dbraw/zinc/05/55/79/902055579.db2.gz BINHBHLJKOFZDM-UHFFFAOYSA-N 0 0 420.469 4.156 20 5 HIBDRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000487264258 902125684 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903385022 /nfs/dbraw/zinc/38/50/22/903385022.db2.gz PKKQSICANXNJFN-UHFFFAOYSA-N 0 0 422.510 4.399 20 5 HIBDRN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489460437 903397724 /nfs/dbraw/zinc/39/77/24/903397724.db2.gz UXOHWGUZEJEOJT-UHFFFAOYSA-N 0 0 411.487 4.221 20 5 HIBDRN CN1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000489534879 903444597 /nfs/dbraw/zinc/44/45/97/903444597.db2.gz FENWKTJYXYUIIH-IEBWSBKVSA-N 0 0 419.884 4.227 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc2ccccc2o1 ZINC000489548270 903458472 /nfs/dbraw/zinc/45/84/72/903458472.db2.gz LDHGNDPRJJTRIY-UHFFFAOYSA-N 0 0 400.456 4.052 20 5 HIBDRN Cc1ccc(-n2c(SCCn3ccc([N+](=O)[O-])n3)nnc2-c2cccs2)cc1 ZINC000489652615 903518506 /nfs/dbraw/zinc/51/85/06/903518506.db2.gz IACKWLFNJZDJFX-UHFFFAOYSA-N 0 0 412.500 4.201 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000489657432 903523533 /nfs/dbraw/zinc/52/35/33/903523533.db2.gz GAEWQEUPOXQOCP-UHFFFAOYSA-N 0 0 401.488 4.244 20 5 HIBDRN CCc1c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cnn1C(CC)CC ZINC000489753994 903580679 /nfs/dbraw/zinc/58/06/79/903580679.db2.gz IIEYCDAQQJVMFD-UHFFFAOYSA-N 0 0 402.451 4.062 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ncc(-c2ccccc2)o1 ZINC000489764064 903588952 /nfs/dbraw/zinc/58/89/52/903588952.db2.gz HHHFHOZCDNDCIW-LLVKDONJSA-N 0 0 403.341 4.342 20 5 HIBDRN Cc1csc(-c2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2)n1 ZINC000506043007 914734578 /nfs/dbraw/zinc/73/45/78/914734578.db2.gz ATMMUEZRZQOKDZ-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000489850549 903631265 /nfs/dbraw/zinc/63/12/65/903631265.db2.gz FUSZAPJOWORUHH-UHFFFAOYSA-N 0 0 422.441 4.252 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc(C(F)(F)F)cs1 ZINC000489917797 903673876 /nfs/dbraw/zinc/67/38/76/903673876.db2.gz LRRCFNLLFPKNEM-LURJTMIESA-N 0 0 424.198 4.324 20 5 HIBDRN 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ZINC000490057332 903747806 /nfs/dbraw/zinc/74/78/06/903747806.db2.gz RGDQWLHAAMEVRI-OAHLLOKOSA-N 0 0 414.531 4.057 20 5 HIBDRN CCCC(=O)Nc1ccc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000490099816 903770020 /nfs/dbraw/zinc/77/00/20/903770020.db2.gz HDHYMRMXBGPIJA-UHFFFAOYSA-N 0 0 418.881 4.029 20 5 HIBDRN Cc1ccccc1[C@H](CC(C)C)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000490135219 903784054 /nfs/dbraw/zinc/78/40/54/903784054.db2.gz FZTDFGREVKMYOD-KRWDZBQOSA-N 0 0 417.893 4.190 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1SC ZINC000490160867 903802912 /nfs/dbraw/zinc/80/29/12/903802912.db2.gz HDYCFANNKPDPFX-UHFFFAOYSA-N 0 0 402.472 4.051 20 5 HIBDRN CCOCCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000490195804 903820821 /nfs/dbraw/zinc/82/08/21/903820821.db2.gz DLECMZQQCWXUBA-UHFFFAOYSA-N 0 0 415.265 4.086 20 5 HIBDRN Cc1occc1-c1cc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000490208123 903828764 /nfs/dbraw/zinc/82/87/64/903828764.db2.gz UISJKGSKUDNDGB-UHFFFAOYSA-N 0 0 412.402 4.227 20 5 HIBDRN CCCC[C@H](NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000490236110 903844025 /nfs/dbraw/zinc/84/40/25/903844025.db2.gz CADNPZTWSRUOPB-SFHVURJKSA-N 0 0 401.463 4.343 20 5 HIBDRN Cc1c(CC(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490300196 903887472 /nfs/dbraw/zinc/88/74/72/903887472.db2.gz OSABACJQTWTCNY-DENIHFKCSA-N 0 0 417.456 4.064 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N(CC(F)F)c1ccc(F)cc1 ZINC000490325146 903907486 /nfs/dbraw/zinc/90/74/86/903907486.db2.gz YGDMHAIXRGLLRH-UHFFFAOYSA-N 0 0 409.183 4.470 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000490343268 903935305 /nfs/dbraw/zinc/93/53/05/903935305.db2.gz WXGBYUXSJNIEFT-QGZVFWFLSA-N 0 0 421.400 4.001 20 5 HIBDRN CC(C)c1nnc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)s1 ZINC000490364524 903957233 /nfs/dbraw/zinc/95/72/33/903957233.db2.gz JXZPQLMXIFFUEB-UHFFFAOYSA-N 0 0 411.487 4.112 20 5 HIBDRN CCC(=O)Nc1ccc(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1 ZINC000490370310 903963096 /nfs/dbraw/zinc/96/30/96/903963096.db2.gz NQKMKDAVKAYVAV-UHFFFAOYSA-N 0 0 409.389 4.208 20 5 HIBDRN CC(C)(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000490462532 904023263 /nfs/dbraw/zinc/02/32/63/904023263.db2.gz CPWLCJZQPZWKQD-UHFFFAOYSA-N 0 0 403.287 4.256 20 5 HIBDRN Cc1nc(-c2ccc(S(=O)(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])s2)cs1 ZINC000490476717 904031209 /nfs/dbraw/zinc/03/12/09/904031209.db2.gz KJHOODLZUZOTKB-UHFFFAOYSA-N 0 0 423.541 4.302 20 5 HIBDRN O=C(c1c[nH]c2cccc(Br)c12)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000490537542 904084789 /nfs/dbraw/zinc/08/47/89/904084789.db2.gz BXXFRWVSJFQLJR-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCC(COC)CC2)c([N+](=O)[O-])cc1OCCC ZINC000490548319 904092455 /nfs/dbraw/zinc/09/24/55/904092455.db2.gz RMAAHCDCFWESGK-UHFFFAOYSA-N 0 0 409.483 4.063 20 5 HIBDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 ZINC000490570128 904108209 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4.198 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000490756780 904211906 /nfs/dbraw/zinc/21/19/06/904211906.db2.gz GOXFIDLMDRLFNR-QGZVFWFLSA-N 0 0 406.364 4.221 20 5 HIBDRN C[C@H](Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000490901935 904310866 /nfs/dbraw/zinc/31/08/66/904310866.db2.gz QOONMGFVHFFBIG-UONOGXRCSA-N 0 0 419.865 4.103 20 5 HIBDRN COc1cc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Br ZINC000490930026 904324306 /nfs/dbraw/zinc/32/43/06/904324306.db2.gz ZMVOICMQYZSUAW-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN O=C(NCC1(Cc2ccccc2)CCCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000490989415 904354776 /nfs/dbraw/zinc/35/47/76/904354776.db2.gz POYQAAWKRITSOP-UHFFFAOYSA-N 0 0 414.527 4.212 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cnn(Cc2ccccc2)c1 ZINC000490994970 904357381 /nfs/dbraw/zinc/35/73/81/904357381.db2.gz JZZJAONAZVJWFB-KRWDZBQOSA-N 0 0 419.485 4.275 20 5 HIBDRN COc1cc(CN2C[C@H](c3ccccc3)OC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491064817 904407067 /nfs/dbraw/zinc/40/70/67/904407067.db2.gz IIJJQMCBSYTQIW-VBKZILBWSA-N 0 0 422.428 4.209 20 5 HIBDRN CN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1ccccc1[N+](=O)[O-] ZINC000506147979 914824222 /nfs/dbraw/zinc/82/42/22/914824222.db2.gz KVTOPEHXCLUSCK-UHFFFAOYSA-N 0 0 411.458 4.097 20 5 HIBDRN COc1ccc(CN(Cc2ccccc2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000491721097 904687315 /nfs/dbraw/zinc/68/73/15/904687315.db2.gz IBEWCZQKLMYWSG-UHFFFAOYSA-N 0 0 406.438 4.211 20 5 HIBDRN COc1ccc(CN(Cc2ccccc2)C(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000491755371 904691217 /nfs/dbraw/zinc/69/12/17/904691217.db2.gz AEOOVWOJZKETSZ-UHFFFAOYSA-N 0 0 406.438 4.211 20 5 HIBDRN Cc1ccc(NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000491855334 904712780 /nfs/dbraw/zinc/71/27/80/904712780.db2.gz UBZNMSQFYIGURQ-OAHLLOKOSA-N 0 0 419.279 4.066 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)cc([N+](=O)[O-])c1 ZINC000491976504 904746578 /nfs/dbraw/zinc/74/65/78/904746578.db2.gz IDFJZXRJRDNYAX-HNNXBMFYSA-N 0 0 408.332 4.078 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1CNc1cccc(NS(=O)(=O)Cc2ccccc2)c1 ZINC000492293741 904829702 /nfs/dbraw/zinc/82/97/02/904829702.db2.gz LEKOEKTVGQMLEO-UHFFFAOYSA-N 0 0 411.483 4.457 20 5 HIBDRN Cc1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)ccc1NC(=O)c1ccco1 ZINC000492590125 904873930 /nfs/dbraw/zinc/87/39/30/904873930.db2.gz LSUJPBKZWHSLBM-UHFFFAOYSA-N 0 0 404.382 4.482 20 5 HIBDRN CCOc1cc(CNc2ccc(C(=O)N3CCSCC3)cc2C)ccc1[N+](=O)[O-] ZINC000492718235 904893648 /nfs/dbraw/zinc/89/36/48/904893648.db2.gz ABIVVDCOPYRGBN-UHFFFAOYSA-N 0 0 415.515 4.103 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000492751605 904897865 /nfs/dbraw/zinc/89/78/65/904897865.db2.gz UAJYSDGEZQJLMX-QMMMGPOBSA-N 0 0 402.209 4.488 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000492913691 904951760 /nfs/dbraw/zinc/95/17/60/904951760.db2.gz QXVWWZGPFNQLBK-MRXNPFEDSA-N 0 0 410.474 4.412 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000492938958 904960063 /nfs/dbraw/zinc/96/00/63/904960063.db2.gz WZWOMENKZQNVLD-YJBOKZPZSA-N 0 0 413.449 4.408 20 5 HIBDRN CC(C)c1ccccc1N(C(=O)Cn1cnc([N+](=O)[O-])n1)c1nc2ccccc2s1 ZINC000506235192 914856483 /nfs/dbraw/zinc/85/64/83/914856483.db2.gz MOLQAYOCGCXKCC-UHFFFAOYSA-N 0 0 422.470 4.284 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)N(Cc2ccsc2)c2cccnc2)cc1[N+](=O)[O-] ZINC000493079180 905011815 /nfs/dbraw/zinc/01/18/15/905011815.db2.gz LYEIJQJQMSMEGZ-UHFFFAOYSA-N 0 0 403.485 4.064 20 5 HIBDRN O=C(COc1ccccc1OCC(F)(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493127757 905025769 /nfs/dbraw/zinc/02/57/69/905025769.db2.gz AZIIPLIGEWIZLU-UHFFFAOYSA-N 0 0 424.375 4.106 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000493132785 905027474 /nfs/dbraw/zinc/02/74/74/905027474.db2.gz NIOLZGSJODCOPK-WTCZBGTRSA-N 0 0 403.504 4.104 20 5 HIBDRN COc1ccc(SCCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000493180113 905042972 /nfs/dbraw/zinc/04/29/72/905042972.db2.gz JQLVKHWMSVPQPT-UHFFFAOYSA-N 0 0 416.499 4.285 20 5 HIBDRN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000506255529 914866261 /nfs/dbraw/zinc/86/62/61/914866261.db2.gz RZOOKJIHUWJGGS-IBGZPJMESA-N 0 0 423.517 4.314 20 5 HIBDRN CCc1ccc([C@H](NCc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493232795 905058974 /nfs/dbraw/zinc/05/89/74/905058974.db2.gz SMKIJQBMMSBQRI-QHCPKHFHSA-N 0 0 424.522 4.440 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000493249229 905067761 /nfs/dbraw/zinc/06/77/61/905067761.db2.gz BAAGICVOYUNOTA-OAHLLOKOSA-N 0 0 401.438 4.356 20 5 HIBDRN COc1cc(CNc2cnn(-c3ccccc3)c2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000506270767 914875595 /nfs/dbraw/zinc/87/55/95/914875595.db2.gz COOQHVKHZUNVPR-UHFFFAOYSA-N 0 0 418.400 4.354 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N(Cc1csc(Br)c1)C1CC1 ZINC000506261234 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JXNGNYPGRRKTFA-UHFFFAOYSA-N 0 0 400.298 4.084 20 5 HIBDRN C[C@@H](Nc1cccc(NC(=O)C2CC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493553547 905160677 /nfs/dbraw/zinc/16/06/77/905160677.db2.gz MMVNFXCHFRVQRK-LLVKDONJSA-N 0 0 402.838 4.036 20 5 HIBDRN COc1ccc(Br)cc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000493626168 905175216 /nfs/dbraw/zinc/17/52/16/905175216.db2.gz RGCORTPUBMOTLQ-UHFFFAOYSA-N 0 0 405.204 4.042 20 5 HIBDRN COCCN(Cc1cc(Br)cs1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000493658185 905185632 /nfs/dbraw/zinc/18/56/32/905185632.db2.gz NVOZLKKBMVWVPV-UHFFFAOYSA-N 0 0 406.689 4.120 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(N3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000493916089 905268199 /nfs/dbraw/zinc/26/81/99/905268199.db2.gz GSEWBLRJGKHVGO-QGZVFWFLSA-N 0 0 424.501 4.100 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)co2)cc1 ZINC000493961605 905310869 /nfs/dbraw/zinc/31/08/69/905310869.db2.gz QOJKWMUZMXBLGU-MOPGFXCFSA-N 0 0 401.369 4.148 20 5 HIBDRN 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ZINC000497370292 906860085 /nfs/dbraw/zinc/86/00/85/906860085.db2.gz XPOGAYUTGGYKBX-INIZCTEOSA-N 0 0 422.384 4.009 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000497484936 906967915 /nfs/dbraw/zinc/96/79/15/906967915.db2.gz FTXFQPJAFKIRNG-HKUYNNGSSA-N 0 0 421.469 4.160 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000512673769 921283596 /nfs/dbraw/zinc/28/35/96/921283596.db2.gz SGMAXHJCXRKZAW-UHFFFAOYSA-N 0 0 418.291 4.221 20 5 HIBDRN C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000497505898 906993739 /nfs/dbraw/zinc/99/37/39/906993739.db2.gz FCXCJSIEFOAGQH-GFCCVEGCSA-N 0 0 421.885 4.282 20 5 HIBDRN C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000497505899 906994693 /nfs/dbraw/zinc/99/46/93/906994693.db2.gz FCXCJSIEFOAGQH-LBPRGKRZSA-N 0 0 421.885 4.282 20 5 HIBDRN CN1CCO[C@@H]([C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000497514503 907004191 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CCOc1c(Br)cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000497765997 907258498 /nfs/dbraw/zinc/25/84/98/907258498.db2.gz LITHHWSEVJCLAY-UHFFFAOYSA-N 0 0 409.236 4.041 20 5 HIBDRN Cc1cc(Br)cc(Cl)c1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000497793776 907283630 /nfs/dbraw/zinc/28/36/30/907283630.db2.gz XWGKSDNORSBWFB-UHFFFAOYSA-N 0 0 413.611 4.300 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCc2cc(OC(F)F)ccc21 ZINC000497800696 907284487 /nfs/dbraw/zinc/28/44/87/907284487.db2.gz UBROABITQAOQHX-UHFFFAOYSA-N 0 0 414.311 4.391 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)O[C@@H](C)C2 ZINC000497804108 907287593 /nfs/dbraw/zinc/28/75/93/907287593.db2.gz NCGOLFSEYRTRAK-JTQLQIEISA-N 0 0 408.357 4.171 20 5 HIBDRN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)C(=O)Nc1ccccc1 ZINC000497804963 907288863 /nfs/dbraw/zinc/28/88/63/907288863.db2.gz SVRYDTRSGSLPFM-ZDUSSCGKSA-N 0 0 421.400 4.076 20 5 HIBDRN COCCOc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497804395 907289559 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ZINC000498159667 907686964 /nfs/dbraw/zinc/68/69/64/907686964.db2.gz RGWOHZDIFCUDDF-JOCHJYFZSA-N 0 0 421.478 4.457 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 ZINC000498170539 907698153 /nfs/dbraw/zinc/69/81/53/907698153.db2.gz FODHSKJSGARDMM-UHFFFAOYSA-N 0 0 405.454 4.443 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCCc4ccccc4C3)cc2)c(C)c1[N+](=O)[O-] ZINC000498195122 907729257 /nfs/dbraw/zinc/72/92/57/907729257.db2.gz JJGDDMZSNQPGOJ-UHFFFAOYSA-N 0 0 404.470 4.045 20 5 HIBDRN CN(Cc1ccc(Br)o1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498197242 907731173 /nfs/dbraw/zinc/73/11/73/907731173.db2.gz YBHRECNDEUNTEZ-UHFFFAOYSA-N 0 0 422.260 4.346 20 5 HIBDRN Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498281032 907815967 /nfs/dbraw/zinc/81/59/67/907815967.db2.gz BDFXOPUDRRRWPK-UHFFFAOYSA-N 0 0 408.483 4.257 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(-c2ccccn2)c1 ZINC000498281590 907816203 /nfs/dbraw/zinc/81/62/03/907816203.db2.gz MYZRNBDMDAHCHP-UHFFFAOYSA-N 0 0 410.861 4.352 20 5 HIBDRN COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Oc1ccc(C)nn1 ZINC000498317370 907837284 /nfs/dbraw/zinc/83/72/84/907837284.db2.gz NBOOPIUTLOTRFI-UHFFFAOYSA-N 0 0 420.381 4.493 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498392755 907876709 /nfs/dbraw/zinc/87/67/09/907876709.db2.gz UMLRDXMOAMXVKL-QFYYESIMSA-N 0 0 414.792 4.356 20 5 HIBDRN Cc1cccc2[nH]c(CNC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc21 ZINC000498405579 907885164 /nfs/dbraw/zinc/88/51/64/907885164.db2.gz FJTKOMZVOJWSDW-UHFFFAOYSA-N 0 0 424.404 4.207 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2OC(C)(C)C)cc1[N+](=O)[O-] ZINC000498444492 907908785 /nfs/dbraw/zinc/90/87/85/907908785.db2.gz ISDFYAUFKSBROK-CYBMUJFWSA-N 0 0 417.437 4.036 20 5 HIBDRN CC[C@@H](C)Sc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c(C)c1 ZINC000498451981 907915570 /nfs/dbraw/zinc/91/55/70/907915570.db2.gz IYZZTKHLVFFNLR-CYBMUJFWSA-N 0 0 422.528 4.450 20 5 HIBDRN Cc1cccc([C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c2ccccn2)c1 ZINC000498623053 908068418 /nfs/dbraw/zinc/06/84/18/908068418.db2.gz WOZUAZWYJLYDQQ-JOCHJYFZSA-N 0 0 414.421 4.071 20 5 HIBDRN CCCCCC(=O)NC1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000498641266 908081679 /nfs/dbraw/zinc/08/16/79/908081679.db2.gz AYIGZCVKYIDNNY-UHFFFAOYSA-N 0 0 411.506 4.026 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(F)cc2OC(C)(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000498867951 908268846 /nfs/dbraw/zinc/26/88/46/908268846.db2.gz XZCULDCKOKKRKH-UHFFFAOYSA-N 0 0 413.409 4.053 20 5 HIBDRN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000498948885 908352225 /nfs/dbraw/zinc/35/22/25/908352225.db2.gz MDNWQZNMZILEKG-NSHDSACASA-N 0 0 402.394 4.215 20 5 HIBDRN CN(c1ccccc1)c1ccc(CNc2ccc(CNC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000499245328 908616184 /nfs/dbraw/zinc/61/61/84/908616184.db2.gz ABFLHNQXVJGNFC-UHFFFAOYSA-N 0 0 405.458 4.143 20 5 HIBDRN COc1ccccc1OCc1ccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000512939018 921427457 /nfs/dbraw/zinc/42/74/57/921427457.db2.gz HOUFTVCEPXTJJB-UHFFFAOYSA-N 0 0 410.426 4.090 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000499276821 908655229 /nfs/dbraw/zinc/65/52/29/908655229.db2.gz SPGWDEBJWMUJTN-UHFFFAOYSA-N 0 0 417.347 4.324 20 5 HIBDRN Cc1ccccc1-n1nccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000499293758 908667005 /nfs/dbraw/zinc/66/70/05/908667005.db2.gz SWBOHYXQACPHRO-ZDUSSCGKSA-N 0 0 400.822 4.148 20 5 HIBDRN Cc1nc(COc2cccc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2)cs1 ZINC000512942187 921428724 /nfs/dbraw/zinc/42/87/24/921428724.db2.gz VXTIGYQWJIHTRM-UHFFFAOYSA-N 0 0 411.483 4.253 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NCC2CCSCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000499323891 908699235 /nfs/dbraw/zinc/69/92/35/908699235.db2.gz GYPDNZJLOUWDOY-AWEZNQCLSA-N 0 0 400.504 4.036 20 5 HIBDRN CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000499331279 908705668 /nfs/dbraw/zinc/70/56/68/908705668.db2.gz UFIXZVCLSSQUMM-IBGZPJMESA-N 0 0 417.849 4.012 20 5 HIBDRN C[C@H]1COC[C@H](c2ccccc2)N1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000499364597 908731648 /nfs/dbraw/zinc/73/16/48/908731648.db2.gz RRTYHDPFCRQSGR-SCLBCKFNSA-N 0 0 424.375 4.138 20 5 HIBDRN C[C@@H]1COC[C@@H](c2ccccc2)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000499365943 908733701 /nfs/dbraw/zinc/73/37/01/908733701.db2.gz VTHGEAVTKRLXDV-KDOFPFPSSA-N 0 0 404.850 4.006 20 5 HIBDRN CCCc1c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000512954953 921436048 /nfs/dbraw/zinc/43/60/48/921436048.db2.gz LJROCCNAHDHUIZ-UHFFFAOYSA-N 0 0 410.449 4.187 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000499445249 908802264 /nfs/dbraw/zinc/80/22/64/908802264.db2.gz QAHQWDJUHZCUTO-UHFFFAOYSA-N 0 0 403.438 4.220 20 5 HIBDRN Cc1ccc([C@H](C)N(C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C)c1 ZINC000499475227 908810362 /nfs/dbraw/zinc/81/03/62/908810362.db2.gz WJWZOTYWNONNKI-INIZCTEOSA-N 0 0 411.458 4.119 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000499486775 908814471 /nfs/dbraw/zinc/81/44/71/908814471.db2.gz QDFMBGGDUCXPBT-OAHLLOKOSA-N 0 0 410.348 4.424 20 5 HIBDRN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000499500762 908818478 /nfs/dbraw/zinc/81/84/78/908818478.db2.gz BZZUZIQFDMSCHG-GFCCVEGCSA-N 0 0 407.348 4.143 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1ccc(F)cc1Cl ZINC000499548406 908836488 /nfs/dbraw/zinc/83/64/88/908836488.db2.gz PTCJAUFSJFVVCT-JTQLQIEISA-N 0 0 401.221 4.167 20 5 HIBDRN CC(=O)Nc1ccc(-c2noc(CNc3ccccc3[N+](=O)[O-])n2)cc1C(F)(F)F ZINC000499620443 908857499 /nfs/dbraw/zinc/85/74/99/908857499.db2.gz SMCCQXXUZDKJHB-UHFFFAOYSA-N 0 0 421.335 4.234 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000512973079 921447578 /nfs/dbraw/zinc/44/75/78/921447578.db2.gz 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400.456 4.189 20 5 HIBDRN COc1cccc(C2=CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000501684489 910756061 /nfs/dbraw/zinc/75/60/61/910756061.db2.gz BKCRZYXTOMLWRT-UHFFFAOYSA-N 0 0 407.451 4.266 20 5 HIBDRN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc2ccccc2c2cccnc12 ZINC000501696480 910766205 /nfs/dbraw/zinc/76/62/05/910766205.db2.gz KABJIASZBBHGKF-XMMPIXPASA-N 0 0 423.516 4.352 20 5 HIBDRN CC(C)c1nc([C@H]2COCCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)no1 ZINC000501706774 910775799 /nfs/dbraw/zinc/77/57/99/910775799.db2.gz MRPAKVCCKJFJEO-QGZVFWFLSA-N 0 0 414.487 4.403 20 5 HIBDRN Cc1cc(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc([N+](=O)[O-])c1 ZINC000501710860 910778583 /nfs/dbraw/zinc/77/85/83/910778583.db2.gz DBUVLBDHZZGRCB-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000513180772 921604444 /nfs/dbraw/zinc/60/44/44/921604444.db2.gz IHCUYKGVMAVKOS-OXQOHEQNSA-N 0 0 420.469 4.139 20 5 HIBDRN 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423.238 4.245 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(-c2ncc[nH]2)cc1 ZINC000502775284 911800176 /nfs/dbraw/zinc/80/01/76/911800176.db2.gz ADWKCYUAXZCTQV-UHFFFAOYSA-N 0 0 419.363 4.444 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000502840863 911853141 /nfs/dbraw/zinc/85/31/41/911853141.db2.gz HUJNOQLCRLPASW-UHFFFAOYSA-N 0 0 424.478 4.438 20 5 HIBDRN COc1cc(COc2cc(C)ccc2NC(C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000502896452 911889418 /nfs/dbraw/zinc/88/94/18/911889418.db2.gz OQROQIOOLXEPQA-UHFFFAOYSA-N 0 0 410.373 4.093 20 5 HIBDRN COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c(C(F)(F)F)c1 ZINC000503020969 911992323 /nfs/dbraw/zinc/99/23/23/911992323.db2.gz BHVDEMWFIYAUIC-UHFFFAOYSA-N 0 0 421.331 4.188 20 5 HIBDRN Cc1c(N[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cccc1N1C(=O)CCNC1=O ZINC000503031625 912000391 /nfs/dbraw/zinc/00/03/91/912000391.db2.gz JGKGAFJEWMMOFY-QFBILLFUSA-N 0 0 422.485 4.173 20 5 HIBDRN 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921724122 /nfs/dbraw/zinc/72/41/22/921724122.db2.gz FCBGZOQQTQDREH-SFHVURJKSA-N 0 0 409.364 4.137 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000513360137 921735437 /nfs/dbraw/zinc/73/54/37/921735437.db2.gz RHRSTIGWXXDHAW-UHFFFAOYSA-N 0 0 404.426 4.436 20 5 HIBDRN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000506365746 914989635 /nfs/dbraw/zinc/98/96/35/914989635.db2.gz WQWUUIDHTISVGA-OAQYLSRUSA-N 0 0 413.380 4.007 20 5 HIBDRN O=C(CSc1cc(Cl)ccc1F)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000506396967 915014033 /nfs/dbraw/zinc/01/40/33/915014033.db2.gz UAJQMMBUYMLFGP-UHFFFAOYSA-N 0 0 412.826 4.279 20 5 HIBDRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC000506450055 915050360 /nfs/dbraw/zinc/05/03/60/915050360.db2.gz CULWMZROMFMIBX-UHFFFAOYSA-N 0 0 410.470 4.234 20 5 HIBDRN CCOC(=O)c1nc(-c2ccccc2)oc1COc1c(Cl)cncc1[N+](=O)[O-] ZINC000506560831 915210773 /nfs/dbraw/zinc/21/07/73/915210773.db2.gz JXHYTFJDGFYXFI-UHFFFAOYSA-N 0 0 403.778 4.054 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000506597888 915247481 /nfs/dbraw/zinc/24/74/81/915247481.db2.gz RQYQTTARLHZELT-ZDUSSCGKSA-N 0 0 422.268 4.393 20 5 HIBDRN Cc1cc(CN2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)no1 ZINC000506709222 915387627 /nfs/dbraw/zinc/38/76/27/915387627.db2.gz WSSBDXLZMRMGJU-UHFFFAOYSA-N 0 0 416.865 4.122 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000506760788 915463132 /nfs/dbraw/zinc/46/31/32/915463132.db2.gz LXESREOTJVNHDT-UHFFFAOYSA-N 0 0 400.456 4.393 20 5 HIBDRN CCc1cccc2c1OCC[C@H]2Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000506794421 915525814 /nfs/dbraw/zinc/52/58/14/915525814.db2.gz DWXZCARAQAZLLD-QGZVFWFLSA-N 0 0 406.442 4.057 20 5 HIBDRN CCOc1ccc(NC(=O)CNc2cccc(C(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000506800253 915538351 /nfs/dbraw/zinc/53/83/51/915538351.db2.gz SXNNVLQDGBVNLH-UHFFFAOYSA-N 0 0 419.437 4.275 20 5 HIBDRN 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Cn1cc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507663311 916428029 /nfs/dbraw/zinc/42/80/29/916428029.db2.gz BEWSYXZBYCLIQW-FQEVSTJZSA-N 0 0 412.877 4.222 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1OC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000507669728 916436759 /nfs/dbraw/zinc/43/67/59/916436759.db2.gz QUBKVVJJWRKGIO-UHFFFAOYSA-N 0 0 409.442 4.324 20 5 HIBDRN Cc1cc(OCC(=O)N[C@H](C)c2ccc(F)c(Br)c2)ccc1[N+](=O)[O-] ZINC000507677530 916448317 /nfs/dbraw/zinc/44/83/17/916448317.db2.gz QORZDIRVTPQZOA-LLVKDONJSA-N 0 0 411.227 4.061 20 5 HIBDRN COc1cc(CN2CCC(Oc3ccccc3Cl)CC2)c([N+](=O)[O-])cc1OC ZINC000507682436 916452273 /nfs/dbraw/zinc/45/22/73/916452273.db2.gz HVXMWOGKJSUILY-UHFFFAOYSA-N 0 0 406.866 4.309 20 5 HIBDRN COc1cc(CN(C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1SC ZINC000507700140 916482737 /nfs/dbraw/zinc/48/27/37/916482737.db2.gz WJMCTRWVRSBYRV-AWEZNQCLSA-N 0 0 403.504 4.093 20 5 HIBDRN CC1(C)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000507757599 916544219 /nfs/dbraw/zinc/54/42/19/916544219.db2.gz CGZHXHSUOFMULP-UHYGZKCKSA-N 0 0 423.307 4.167 20 5 HIBDRN CC(C)[C@H](Oc1ccccc1Br)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000507833593 916635531 /nfs/dbraw/zinc/63/55/31/916635531.db2.gz KFVGFLMHEPWSNB-SFHVURJKSA-N 0 0 421.291 4.120 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507917599 916796664 /nfs/dbraw/zinc/79/66/64/916796664.db2.gz BHKDHDIOJGQQEZ-AWEZNQCLSA-N 0 0 406.357 4.014 20 5 HIBDRN Cc1ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000507948083 916811631 /nfs/dbraw/zinc/81/16/31/916811631.db2.gz AMAZGBRJCSXQGA-AWEZNQCLSA-N 0 0 406.357 4.014 20 5 HIBDRN Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000508027972 916862135 /nfs/dbraw/zinc/86/21/35/916862135.db2.gz PANRGHQJDXGDFO-HNNXBMFYSA-N 0 0 402.472 4.192 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000508130671 916950762 /nfs/dbraw/zinc/95/07/62/916950762.db2.gz 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COc1cc(C(=O)Nc2c(C)cc(N(C)C)cc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000508190615 917012664 /nfs/dbraw/zinc/01/26/64/917012664.db2.gz QERJQPGKJQYGRT-UHFFFAOYSA-N 0 0 409.389 4.140 20 5 HIBDRN Cc1cc(C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)ccc1[N+](=O)[O-] ZINC000508369565 917169375 /nfs/dbraw/zinc/16/93/75/917169375.db2.gz MMRBLHMAYHQWRN-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2ccc3c(c2)COC3)cc1[N+](=O)[O-])c1ccccn1 ZINC000508436442 917222634 /nfs/dbraw/zinc/22/26/34/917222634.db2.gz MZMALVHHPPHCIH-AWEZNQCLSA-N 0 0 404.426 4.445 20 5 HIBDRN O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccccc1)c1ccccc1 ZINC000508515018 917299389 /nfs/dbraw/zinc/29/93/89/917299389.db2.gz XQAFLWLGMWNPDA-UHFFFAOYSA-N 0 0 413.437 4.087 20 5 HIBDRN C[C@H](Cc1cnc2ccccc2n1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000508519966 917303907 /nfs/dbraw/zinc/30/39/07/917303907.db2.gz MUAKYEIIBXBNPV-GFCCVEGCSA-N 0 0 418.375 4.052 20 5 HIBDRN Cc1ccc(NC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000508525660 917308814 /nfs/dbraw/zinc/30/88/14/917308814.db2.gz GKCFCYGTIWOFCG-UHFFFAOYSA-N 0 0 403.851 4.089 20 5 HIBDRN Cc1ccc(N(C(=O)Cn2ccc([N+](=O)[O-])n2)c2nc3ccccc3s2)c(C)c1 ZINC000508575176 917348209 /nfs/dbraw/zinc/34/82/09/917348209.db2.gz CJNIBCORIOXEJE-UHFFFAOYSA-N 0 0 407.455 4.383 20 5 HIBDRN Cc1c(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000508768669 917522812 /nfs/dbraw/zinc/52/28/12/917522812.db2.gz KDPZUGLYUYGXGE-UHFFFAOYSA-N 0 0 401.507 4.487 20 5 HIBDRN COc1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000508776473 917529954 /nfs/dbraw/zinc/52/99/54/917529954.db2.gz BZDVGUYJOIFCBT-UHFFFAOYSA-N 0 0 417.506 4.187 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000508785949 917541256 /nfs/dbraw/zinc/54/12/56/917541256.db2.gz PQQNZLLNJHZOKU-KBPBESRZSA-N 0 0 414.462 4.278 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000508800643 917556109 /nfs/dbraw/zinc/55/61/09/917556109.db2.gz FFVOZODAPWBPQO-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000508870391 917623588 /nfs/dbraw/zinc/62/35/88/917623588.db2.gz NBFIWAUTISZTMM-UHFFFAOYSA-N 0 0 409.364 4.011 20 5 HIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000508979101 917733669 /nfs/dbraw/zinc/73/36/69/917733669.db2.gz KVHMQJCOERVMCF-HNNXBMFYSA-N 0 0 424.530 4.110 20 5 HIBDRN COC(=O)[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1Cl ZINC000508989657 917743955 /nfs/dbraw/zinc/74/39/55/917743955.db2.gz CNNYZGCNORMRNJ-HNNXBMFYSA-N 0 0 405.184 4.184 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccc(Br)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000509004511 917759747 /nfs/dbraw/zinc/75/97/47/917759747.db2.gz KNNYQFVHUGTXCH-UHFFFAOYSA-N 0 0 407.264 4.417 20 5 HIBDRN O=C(NCc1c(F)cccc1N1CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000509014300 917767569 /nfs/dbraw/zinc/76/75/69/917767569.db2.gz GBZPJJUBUVPXET-UHFFFAOYSA-N 0 0 412.465 4.208 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccs1 ZINC000509026236 917780222 /nfs/dbraw/zinc/78/02/22/917780222.db2.gz HMBXHRBTQHFIOZ-VIFPVBQESA-N 0 0 416.240 4.060 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000509054741 917805337 /nfs/dbraw/zinc/80/53/37/917805337.db2.gz XAAJJFCJSGGKJL-UHFFFAOYSA-N 0 0 412.486 4.162 20 5 HIBDRN COC(=O)c1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3OC)cs2)cc1 ZINC000509058124 917806108 /nfs/dbraw/zinc/80/61/08/917806108.db2.gz ROOLSJHOPRMVEL-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000509057305 917806272 /nfs/dbraw/zinc/80/62/72/917806272.db2.gz QRZATOPNMKDUPO-UHFFFAOYSA-N 0 0 417.465 4.059 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OCc1nc(-c2cc(Br)cs2)no1 ZINC000509070133 917815153 /nfs/dbraw/zinc/81/51/53/917815153.db2.gz ZYLUULZEKSOISD-UHFFFAOYSA-N 0 0 412.221 4.056 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)C1CCCCC1 ZINC000509118339 917854170 /nfs/dbraw/zinc/85/41/70/917854170.db2.gz UZVGMPFTSWRVOQ-UHFFFAOYSA-N 0 0 416.259 4.303 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000509121379 917855709 /nfs/dbraw/zinc/85/57/09/917855709.db2.gz IBZBMKLMFVDCTP-CQSZACIVSA-N 0 0 410.879 4.051 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000509126920 917859230 /nfs/dbraw/zinc/85/92/30/917859230.db2.gz VMVKRZOFFVIBCB-UHFFFAOYSA-N 0 0 422.812 4.130 20 5 HIBDRN COc1cc(CN2CCc3[nH]c4ccc(F)cc4c3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000509149473 917870498 /nfs/dbraw/zinc/87/04/98/917870498.db2.gz DDYCZKQNKTWUFZ-UHFFFAOYSA-N 0 0 421.375 4.384 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000509156535 917874645 /nfs/dbraw/zinc/87/46/45/917874645.db2.gz VULDINVUUYFLHE-CMPLNLGQSA-N 0 0 416.259 4.159 20 5 HIBDRN C[C@@H]1CCCN(Cc2csc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000509214358 917916453 /nfs/dbraw/zinc/91/64/53/917916453.db2.gz ZJBGWCYZRCHCHE-OAHLLOKOSA-N 0 0 417.535 4.114 20 5 HIBDRN CNC(=O)c1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1Cl ZINC000509228411 917927205 /nfs/dbraw/zinc/92/72/05/917927205.db2.gz SKYZKOGONPIAFZ-UHFFFAOYSA-N 0 0 404.854 4.050 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509245534 917940312 /nfs/dbraw/zinc/94/03/12/917940312.db2.gz GXIVNZOTDDEWED-UHFFFAOYSA-N 0 0 417.334 4.141 20 5 HIBDRN CC[C@H](C)CN(CC)C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000509347408 918013342 /nfs/dbraw/zinc/01/33/42/918013342.db2.gz YCWBKOYYGWRJGU-JTQLQIEISA-N 0 0 404.248 4.016 20 5 HIBDRN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000509385569 918051634 /nfs/dbraw/zinc/05/16/34/918051634.db2.gz JZABKLHNPNOLKK-RLGIIYIFSA-N 0 0 419.485 4.037 20 5 HIBDRN C[C@@H](Nc1nc(N[C@@H](C)c2ccncc2F)ccc1[N+](=O)[O-])c1ccncc1F ZINC000509450358 918104220 /nfs/dbraw/zinc/10/42/20/918104220.db2.gz RHUYGJFZPNNVHJ-NWDGAFQWSA-N 0 0 400.389 4.404 20 5 HIBDRN COc1ccc(NC(=O)CNc2cc(-c3ccc(OC)nc3)ccc2C)c([N+](=O)[O-])c1 ZINC000509497094 918143266 /nfs/dbraw/zinc/14/32/66/918143266.db2.gz ZLIJOIQYCAYDJC-UHFFFAOYSA-N 0 0 422.441 4.033 20 5 HIBDRN COc1ccc(-c2ccc(C)c(NCC(=O)Nc3ccc([N+](=O)[O-])cc3C)c2)cn1 ZINC000509506598 918153371 /nfs/dbraw/zinc/15/33/71/918153371.db2.gz JWRLZVJCQDVLDL-UHFFFAOYSA-N 0 0 406.442 4.333 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000509591434 918240901 /nfs/dbraw/zinc/24/09/01/918240901.db2.gz ITSQYNDMYGGMTE-LLVKDONJSA-N 0 0 416.259 4.157 20 5 HIBDRN COc1cc(CNCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509601179 918252090 /nfs/dbraw/zinc/25/20/90/918252090.db2.gz KZOAXJLNVQQXDR-UHFFFAOYSA-N 0 0 422.437 4.201 20 5 HIBDRN CCc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(Br)cc1 ZINC000509651239 918288792 /nfs/dbraw/zinc/28/87/92/918288792.db2.gz MBSAUGVYDPHUFY-UHFFFAOYSA-N 0 0 415.247 4.358 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000509651649 918288971 /nfs/dbraw/zinc/28/89/71/918288971.db2.gz UDHNFAHMANURNA-KZULUSFZSA-N 0 0 419.275 4.268 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000509651644 918289033 /nfs/dbraw/zinc/28/90/33/918289033.db2.gz UDHNFAHMANURNA-KPZWWZAWSA-N 0 0 419.275 4.268 20 5 HIBDRN COc1ccc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc1[N+](=O)[O-] ZINC000509670407 918302475 /nfs/dbraw/zinc/30/24/75/918302475.db2.gz YVJDMESIBPHSRU-UHFFFAOYSA-N 0 0 403.504 4.377 20 5 HIBDRN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000509677023 918308300 /nfs/dbraw/zinc/30/83/00/918308300.db2.gz XJBQQGCZOFRQFO-SFHVURJKSA-N 0 0 405.458 4.262 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000509685784 918316856 /nfs/dbraw/zinc/31/68/56/918316856.db2.gz RQVXOXKCKUDYOE-UHFFFAOYSA-N 0 0 412.870 4.031 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCC(OCCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000509695593 918326269 /nfs/dbraw/zinc/32/62/69/918326269.db2.gz YUBMGFXXQIYESA-UHFFFAOYSA-N 0 0 413.312 4.333 20 5 HIBDRN CN(CCc1cccc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000509696062 918327419 /nfs/dbraw/zinc/32/74/19/918327419.db2.gz GQQGPIKEVVGVRZ-UHFFFAOYSA-N 0 0 404.875 4.265 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000509730291 918353953 /nfs/dbraw/zinc/35/39/53/918353953.db2.gz MJVPOXDUBFKJSI-DGCLKSJQSA-N 0 0 420.796 4.101 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)s1 ZINC000509746053 918363448 /nfs/dbraw/zinc/36/34/48/918363448.db2.gz MLSOGJGONBVOJI-INIZCTEOSA-N 0 0 416.480 4.125 20 5 HIBDRN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000509744775 918364211 /nfs/dbraw/zinc/36/42/11/918364211.db2.gz UCEQVKDSCRQJDE-UHFFFAOYSA-N 0 0 401.382 4.425 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000509785568 918394171 /nfs/dbraw/zinc/39/41/71/918394171.db2.gz ACJLWEYLXOQHCH-UGKGYDQZSA-N 0 0 411.502 4.385 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000509784730 918394187 /nfs/dbraw/zinc/39/41/87/918394187.db2.gz YSCKFKGBXCINOS-OAHLLOKOSA-N 0 0 422.890 4.130 20 5 HIBDRN CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000509802372 918408580 /nfs/dbraw/zinc/40/85/80/918408580.db2.gz IWIAHMGWIAUBMM-NSHDSACASA-N 0 0 420.263 4.115 20 5 HIBDRN CC(C)(C(=O)N1CCC[C@H](OCc2ccccc2F)C1)c1ccccc1[N+](=O)[O-] ZINC000509808795 918413956 /nfs/dbraw/zinc/41/39/56/918413956.db2.gz CAXZYNAKKKUEQM-KRWDZBQOSA-N 0 0 400.450 4.219 20 5 HIBDRN Cc1csc(C(C)(C)NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000509860625 918464052 /nfs/dbraw/zinc/46/40/52/918464052.db2.gz CFNFXQLTOBMYRY-ZDUSSCGKSA-N 0 0 402.520 4.261 20 5 HIBDRN Cc1c(Br)cc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000509871289 918472388 /nfs/dbraw/zinc/47/23/88/918472388.db2.gz HRDXRHVDVAZWHQ-JTQLQIEISA-N 0 0 403.236 4.033 20 5 HIBDRN COc1cc(CN2CCC(Oc3ccc(C)c(C)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000509923979 918524024 /nfs/dbraw/zinc/52/40/24/918524024.db2.gz BLRHCBWMMRIMRD-UHFFFAOYSA-N 0 0 400.475 4.272 20 5 HIBDRN C[C@H]1c2cccc(Br)c2CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000509931674 918530326 /nfs/dbraw/zinc/53/03/26/918530326.db2.gz VKVQZCFDMGMQKA-ZDUSSCGKSA-N 0 0 403.276 4.436 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2[nH]ccc2c1 ZINC000509966415 918557554 /nfs/dbraw/zinc/55/75/54/918557554.db2.gz FYTGOCJGAFFXAE-UHFFFAOYSA-N 0 0 407.352 4.329 20 5 HIBDRN COCCOc1ccc(F)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000509973590 918563168 /nfs/dbraw/zinc/56/31/68/918563168.db2.gz FHQUBCNRZCCPJS-UHFFFAOYSA-N 0 0 405.426 4.202 20 5 HIBDRN Cc1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1O ZINC000510038850 918610991 /nfs/dbraw/zinc/61/09/91/918610991.db2.gz DKIJFXOUAXWWHA-UHFFFAOYSA-N 0 0 407.213 4.354 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(F)c(Br)cc2F)cc1[N+](=O)[O-] ZINC000510134735 918692252 /nfs/dbraw/zinc/69/22/52/918692252.db2.gz ZIDFEUHBGWVZGA-UHFFFAOYSA-N 0 0 401.163 4.287 20 5 HIBDRN Cc1cc(C(=O)N2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c(C)o1 ZINC000510175477 918726275 /nfs/dbraw/zinc/72/62/75/918726275.db2.gz KIXQVBMAUIMTHL-UHFFFAOYSA-N 0 0 409.442 4.023 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000510238196 918777450 /nfs/dbraw/zinc/77/74/50/918777450.db2.gz GMAKUWHHLRDSTN-SNVBAGLBSA-N 0 0 421.247 4.102 20 5 HIBDRN Cc1nc(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000510247440 918785183 /nfs/dbraw/zinc/78/51/83/918785183.db2.gz XYFFOEWWHZTAFV-UHFFFAOYSA-N 0 0 420.141 4.212 20 5 HIBDRN CC(C)(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000510257978 918790633 /nfs/dbraw/zinc/79/06/33/918790633.db2.gz QTNRZGYCZWENNH-UHFFFAOYSA-N 0 0 403.866 4.262 20 5 HIBDRN Cc1cccc(C)c1OC[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000510328509 918834365 /nfs/dbraw/zinc/83/43/65/918834365.db2.gz ZXMBWUAGTIVYQV-GOSISDBHSA-N 0 0 411.502 4.012 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c2ncccc12 ZINC000510426918 918890568 /nfs/dbraw/zinc/89/05/68/918890568.db2.gz DTDJUQFEKSARQO-QRQLOZEOSA-N 0 0 423.494 4.100 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000510445530 918902265 /nfs/dbraw/zinc/90/22/65/918902265.db2.gz VYATVEFYIWMALS-NSHDSACASA-N 0 0 410.293 4.142 20 5 HIBDRN CC(C)(CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccs1 ZINC000510555326 918999512 /nfs/dbraw/zinc/99/95/12/918999512.db2.gz VDJGGTPKMBGOCY-UHFFFAOYSA-N 0 0 402.394 4.305 20 5 HIBDRN Cc1cccc(CC2(O)CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)c1 ZINC000510646483 919085554 /nfs/dbraw/zinc/08/55/54/919085554.db2.gz QMAVUZRYZFLNJZ-UHFFFAOYSA-N 0 0 422.403 4.132 20 5 HIBDRN O=C(Nc1cccc(F)c1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000510654939 919095182 /nfs/dbraw/zinc/09/51/82/919095182.db2.gz DKBKNXPVMUNOFW-UHFFFAOYSA-N 0 0 420.828 4.270 20 5 HIBDRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000510769590 919225131 /nfs/dbraw/zinc/22/51/31/919225131.db2.gz ROVMZGHGUZAFDL-UHFFFAOYSA-N 0 0 406.438 4.325 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000510790428 919257705 /nfs/dbraw/zinc/25/77/05/919257705.db2.gz HKWKSGWVESPUMH-MAUKXSAKSA-N 0 0 416.359 4.085 20 5 HIBDRN Cc1ccc(OCCCCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000510823817 919304748 /nfs/dbraw/zinc/30/47/48/919304748.db2.gz GSEFNFKSHQLKBL-UHFFFAOYSA-N 0 0 409.389 4.485 20 5 HIBDRN CCCOc1ccc([C@@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000510870050 919363355 /nfs/dbraw/zinc/36/33/55/919363355.db2.gz SGPULSZIMKAFLU-MRXNPFEDSA-N 0 0 415.490 4.337 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510925146 919442662 /nfs/dbraw/zinc/44/26/62/919442662.db2.gz OHRNDSULHBVKQJ-OAHLLOKOSA-N 0 0 404.348 4.051 20 5 HIBDRN O=C(CC(F)(F)F)Nc1ccc(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000510949192 919479458 /nfs/dbraw/zinc/47/94/58/919479458.db2.gz WEHZSNRQEYGIEC-LSDHHAIUSA-N 0 0 411.384 4.278 20 5 HIBDRN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000510998437 919556723 /nfs/dbraw/zinc/55/67/23/919556723.db2.gz KSROCMBRUDGXPA-GFCCVEGCSA-N 0 0 424.379 4.315 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511095999 919698500 /nfs/dbraw/zinc/69/85/00/919698500.db2.gz NDMQKZKUSYCWPT-FQEVSTJZSA-N 0 0 403.429 4.404 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000511111189 919723157 /nfs/dbraw/zinc/72/31/57/919723157.db2.gz UIIVNYJOMMLZOK-UHFFFAOYSA-N 0 0 410.455 4.240 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)CN(C)CCc2ccccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000511120072 919730779 /nfs/dbraw/zinc/73/07/79/919730779.db2.gz HAQIVDYYRZDHDB-HSZRJFAPSA-N 0 0 423.538 4.345 20 5 HIBDRN CN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000511215564 919825675 /nfs/dbraw/zinc/82/56/75/919825675.db2.gz OHCJXSGISWCCNP-UHFFFAOYSA-N 0 0 413.437 4.048 20 5 HIBDRN O=C(NCc1ccc(OC(F)F)c(F)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000511291660 919886780 /nfs/dbraw/zinc/88/67/80/919886780.db2.gz HXCXOBNWKDCXGU-UHFFFAOYSA-N 0 0 419.153 4.028 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)c2)n[nH]1 ZINC000511308960 919900176 /nfs/dbraw/zinc/90/01/76/919900176.db2.gz WHPJVEZTQATNBE-AWEZNQCLSA-N 0 0 420.473 4.177 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000511333334 919925022 /nfs/dbraw/zinc/92/50/22/919925022.db2.gz LDEHOCLJQKZGNB-NRFANRHFSA-N 0 0 412.465 4.107 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)c1 ZINC000511362292 919954438 /nfs/dbraw/zinc/95/44/38/919954438.db2.gz OYMVHTLHNFUMCK-UHFFFAOYSA-N 0 0 403.504 4.377 20 5 HIBDRN CCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCc2ccccc2C1 ZINC000511382361 919983692 /nfs/dbraw/zinc/98/36/92/919983692.db2.gz WZTZQDIPTJZCLI-IBGZPJMESA-N 0 0 404.470 4.190 20 5 HIBDRN COc1cc2c(cc1F)CC[C@@H]2NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000511460477 920069711 /nfs/dbraw/zinc/06/97/11/920069711.db2.gz TXCMVOYJMULOLY-IBGZPJMESA-N 0 0 401.438 4.052 20 5 HIBDRN COc1cc(CCNC(=O)Nc2ccccc2OCC(C)C)c([N+](=O)[O-])cc1OC ZINC000511459888 920070397 /nfs/dbraw/zinc/07/03/97/920070397.db2.gz SAVZPTUDPOHRLM-UHFFFAOYSA-N 0 0 417.462 4.011 20 5 HIBDRN COc1cc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)ccc1[N+](=O)[O-] ZINC000511467223 920077825 /nfs/dbraw/zinc/07/78/25/920077825.db2.gz WTJOFNQBNHWOPU-UHFFFAOYSA-N 0 0 403.485 4.069 20 5 HIBDRN CC(C)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2I)n1 ZINC000511473238 920082801 /nfs/dbraw/zinc/08/28/01/920082801.db2.gz IEBAKWPLBUBJCO-UHFFFAOYSA-N 0 0 417.228 4.032 20 5 HIBDRN O=C(Cc1cc2c(ccc3ccccc23)o1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000511537030 920160597 /nfs/dbraw/zinc/16/05/97/920160597.db2.gz GGZCBCGGTOMVOD-MRXNPFEDSA-N 0 0 416.437 4.145 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000511539851 920162355 /nfs/dbraw/zinc/16/23/55/920162355.db2.gz FNFQUFBSUWLOIJ-UHFFFAOYSA-N 0 0 422.403 4.400 20 5 HIBDRN CSc1cccc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)c1[N+](=O)[O-] ZINC000511628477 920290335 /nfs/dbraw/zinc/29/03/35/920290335.db2.gz TUKNODKGIBEZIU-UHFFFAOYSA-N 0 0 415.490 4.123 20 5 HIBDRN COc1cc(F)c([C@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1OC ZINC000511653703 920319757 /nfs/dbraw/zinc/31/97/57/920319757.db2.gz NJTASCGNAILRTF-ZDUSSCGKSA-N 0 0 417.437 4.160 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000511688264 920350759 /nfs/dbraw/zinc/35/07/59/920350759.db2.gz HPYIFPBVPAECQU-OAHLLOKOSA-N 0 0 404.291 4.159 20 5 HIBDRN Cc1nc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)nc2c1CCCC2 ZINC000511710936 920376847 /nfs/dbraw/zinc/37/68/47/920376847.db2.gz AYWFDINVOCJHBQ-CQSZACIVSA-N 0 0 409.490 4.061 20 5 HIBDRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000511714890 920379702 /nfs/dbraw/zinc/37/97/02/920379702.db2.gz VKEPDCKTTXTLHQ-HXUWFJFHSA-N 0 0 424.428 4.465 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H]1CCc2cc(F)ccc21 ZINC000511737078 920406992 /nfs/dbraw/zinc/40/69/92/920406992.db2.gz ZDPXNRRUNJQJMO-SFHVURJKSA-N 0 0 419.478 4.008 20 5 HIBDRN CC(=O)c1c(C)[nH]c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C(C)C ZINC000511767964 920455226 /nfs/dbraw/zinc/45/52/26/920455226.db2.gz IKKDZGNQTXKUSN-UHFFFAOYSA-N 0 0 413.474 4.241 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1[N+](=O)[O-] ZINC000511789979 920484217 /nfs/dbraw/zinc/48/42/17/920484217.db2.gz DGPKLTDXCKCSRR-CYBMUJFWSA-N 0 0 422.310 4.076 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000511835169 920542926 /nfs/dbraw/zinc/54/29/26/920542926.db2.gz OSIFPOVDBBUASL-GOSISDBHSA-N 0 0 403.866 4.346 20 5 HIBDRN O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000511866848 920592757 /nfs/dbraw/zinc/59/27/57/920592757.db2.gz GQMKENHLRXZIHC-UHFFFAOYSA-N 0 0 414.425 4.131 20 5 HIBDRN CCOc1ccc(S(=O)(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000511927158 920674810 /nfs/dbraw/zinc/67/48/10/920674810.db2.gz MUKXVMUPDXXWPN-CQSZACIVSA-N 0 0 400.456 4.186 20 5 HIBDRN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000511942229 920698547 /nfs/dbraw/zinc/69/85/47/920698547.db2.gz LEEULLBIIHDFCM-LJQANCHMSA-N 0 0 412.467 4.282 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc3ccccc32)c(F)c1 ZINC000511962820 920726994 /nfs/dbraw/zinc/72/69/94/920726994.db2.gz YORSBTXULUFPGA-IBGZPJMESA-N 0 0 400.431 4.413 20 5 HIBDRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000512023829 920799858 /nfs/dbraw/zinc/79/98/58/920799858.db2.gz LBFQTLJXYDFCQR-SZNDQCEHSA-N 0 0 409.486 4.150 20 5 HIBDRN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000512098095 920859512 /nfs/dbraw/zinc/85/95/12/920859512.db2.gz QGZQYVXCSVFZPT-BAGYTPMASA-N 0 0 411.502 4.130 20 5 HIBDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000512106944 920863871 /nfs/dbraw/zinc/86/38/71/920863871.db2.gz QTMVYGWWIXLFSJ-AWEZNQCLSA-N 0 0 420.307 4.172 20 5 HIBDRN COc1ccc([C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000512120170 920873108 /nfs/dbraw/zinc/87/31/08/920873108.db2.gz FEOSHGXDZJBIIB-QHCPKHFHSA-N 0 0 423.444 4.450 20 5 HIBDRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000512130353 920879338 /nfs/dbraw/zinc/87/93/38/920879338.db2.gz ZTQFUSARHWPFTN-UHFFFAOYSA-N 0 0 423.269 4.005 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN[C@@H](CCO)c3ccc(Cl)c(Cl)c3)n2)c1 ZINC000512211095 920956301 /nfs/dbraw/zinc/95/63/01/920956301.db2.gz FZKVMRPFUOIJQA-INIZCTEOSA-N 0 0 423.256 4.165 20 5 HIBDRN C[C@H]1c2cccc(Br)c2CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000512321405 921071388 /nfs/dbraw/zinc/07/13/88/921071388.db2.gz HCIKVSDNEOFOFK-ZDUSSCGKSA-N 0 0 419.275 4.272 20 5 HIBDRN COc1cc(C(=O)N([C@H](C)C(C)C)C2CC2)c([N+](=O)[O-])cc1OCc1cscn1 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Cc1cc(N2CCCC[C@@H]2C)ccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000539595718 938885458 /nfs/dbraw/zinc/88/54/58/938885458.db2.gz GZNRJCIURLOUBM-KRWDZBQOSA-N 0 0 417.531 4.266 20 5 HIBDRN CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000539597288 938885742 /nfs/dbraw/zinc/88/57/42/938885742.db2.gz WYHFOGUAFZIDKV-OAHLLOKOSA-N 0 0 421.544 4.118 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000539646081 938893005 /nfs/dbraw/zinc/89/30/05/938893005.db2.gz WAMVCZSUKVQHIF-UHFFFAOYSA-N 0 0 406.229 4.351 20 5 HIBDRN CC[C@@H](c1nnc(NCc2cc(OC)c(O)cc2[N+](=O)[O-])s1)c1ccccc1 ZINC000539693706 938904157 /nfs/dbraw/zinc/90/41/57/938904157.db2.gz WNSMXYMPANCQIN-CQSZACIVSA-N 0 0 400.460 4.315 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]2C2CCOCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000539702217 938906434 /nfs/dbraw/zinc/90/64/34/938906434.db2.gz QVIQMOQPJHSBMP-HRAATJIYSA-N 0 0 424.501 4.194 20 5 HIBDRN COc1ccc(CNc2nnc(-c3ccco3)o2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539708702 938908161 /nfs/dbraw/zinc/90/81/61/938908161.db2.gz HJXZQFVJQFOOTK-UHFFFAOYSA-N 0 0 422.397 4.438 20 5 HIBDRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000539727762 938914534 /nfs/dbraw/zinc/91/45/34/938914534.db2.gz RFGFZUPXUPZCAN-SNVBAGLBSA-N 0 0 411.842 4.086 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Br)ccc1F ZINC000539795096 938936738 /nfs/dbraw/zinc/93/67/38/938936738.db2.gz ZAIDGRBIQHAAPL-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000539901725 938973493 /nfs/dbraw/zinc/97/34/93/938973493.db2.gz QFFLVIMNKDZVND-SFHLNBCPSA-N 0 0 416.449 4.295 20 5 HIBDRN COc1cc(CNc2cccc(CC(=O)OC(C)(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000539919380 938977604 /nfs/dbraw/zinc/97/76/04/938977604.db2.gz HSYPAFCINJHPKS-UHFFFAOYSA-N 0 0 402.447 4.108 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1OC ZINC000539916237 938977660 /nfs/dbraw/zinc/97/76/60/938977660.db2.gz HYBURQCSHUEXIR-CYBMUJFWSA-N 0 0 400.475 4.146 20 5 HIBDRN Cn1cc(CNc2cccc(N3CCCCC3=O)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539923463 938978174 /nfs/dbraw/zinc/97/81/74/938978174.db2.gz SDFYWLJFRGAEFY-UHFFFAOYSA-N 0 0 405.458 4.124 20 5 HIBDRN CC(=O)c1cccc(OCc2cc(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)no2)c1 ZINC000539959259 938981498 /nfs/dbraw/zinc/98/14/98/938981498.db2.gz WCEOMXSDVPQSIP-CQSZACIVSA-N 0 0 423.425 4.164 20 5 HIBDRN C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000539977672 939028763 /nfs/dbraw/zinc/02/87/63/939028763.db2.gz POUCTTIGQDYGDB-LBPRGKRZSA-N 0 0 419.894 4.234 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(Cc2cccnc2)CC1 ZINC000540022855 939041641 /nfs/dbraw/zinc/04/16/41/939041641.db2.gz FOZCIOGKEOSLMW-UHFFFAOYSA-N 0 0 411.505 4.031 20 5 HIBDRN C[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CCO1 ZINC000540025641 939042236 /nfs/dbraw/zinc/04/22/36/939042236.db2.gz YFSIQOYWKONFCJ-GJZGRUSLSA-N 0 0 417.893 4.405 20 5 HIBDRN COc1ccc([C@H](OC)[C@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540073843 939059444 /nfs/dbraw/zinc/05/94/44/939059444.db2.gz UCQJWNVKQQTJAE-QEEYODRMSA-N 0 0 401.463 4.048 20 5 HIBDRN Cc1n[nH]c(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000540122581 939080905 /nfs/dbraw/zinc/08/09/05/939080905.db2.gz DLKCLDAXJUWJDR-UKRRQHHQSA-N 0 0 410.396 4.491 20 5 HIBDRN CSc1cc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccn1 ZINC000540123475 939081430 /nfs/dbraw/zinc/08/14/30/939081430.db2.gz RNMXPCRURWJXMM-AWEZNQCLSA-N 0 0 423.498 4.210 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000563628301 945226567 /nfs/dbraw/zinc/22/65/67/945226567.db2.gz CWGSBBYJXSJQMY-UHFFFAOYSA-N 0 0 415.877 4.085 20 5 HIBDRN COc1ccccc1[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000540162168 939097783 /nfs/dbraw/zinc/09/77/83/939097783.db2.gz HTOGUKCZFIEKLS-QRQCRPRQSA-N 0 0 409.442 4.293 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540166513 939099067 /nfs/dbraw/zinc/09/90/67/939099067.db2.gz FOSWFNAJNRSBDP-SNVBAGLBSA-N 0 0 413.787 4.469 20 5 HIBDRN CCN1CC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540224036 939138591 /nfs/dbraw/zinc/13/85/91/939138591.db2.gz NKHKBDVTQHMDEJ-HKUYNNGSSA-N 0 0 405.857 4.261 20 5 HIBDRN C[C@H](NCc1nc(-c2cccc(Br)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000540375021 939215153 /nfs/dbraw/zinc/21/51/53/939215153.db2.gz CRSRSZGCBCESET-NSHDSACASA-N 0 0 403.236 4.258 20 5 HIBDRN O=C(CN[C@@H](CC(F)(F)F)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000540374868 939215580 /nfs/dbraw/zinc/21/55/80/939215580.db2.gz TZKKSJJNUGFABG-HNNXBMFYSA-N 0 0 401.772 4.470 20 5 HIBDRN C[C@H](NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000540376678 939217038 /nfs/dbraw/zinc/21/70/38/939217038.db2.gz QPAOJQKUZZZAKU-KSSFIOAISA-N 0 0 424.482 4.278 20 5 HIBDRN C[C@@H](NC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000540391408 939229651 /nfs/dbraw/zinc/22/96/51/939229651.db2.gz PFOAOSGHBJHWIZ-OAHLLOKOSA-N 0 0 420.473 4.030 20 5 HIBDRN C[C@H](NC(=O)Nc1cccc(I)c1)c1ccccc1[N+](=O)[O-] ZINC000540400358 939235154 /nfs/dbraw/zinc/23/51/54/939235154.db2.gz KGYWWLKKZRTCCT-JTQLQIEISA-N 0 0 411.199 4.082 20 5 HIBDRN COc1ccc(Cl)cc1[C@H](CC(C)C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000540413811 939240071 /nfs/dbraw/zinc/24/00/71/939240071.db2.gz HMHUOIUEERYXKG-KRWDZBQOSA-N 0 0 405.882 4.233 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1nc2ccccc2n1C ZINC000540452278 939255858 /nfs/dbraw/zinc/25/58/58/939255858.db2.gz WGVVDJKNSORPKQ-UHFFFAOYSA-N 0 0 412.515 4.345 20 5 HIBDRN COc1cccc(O[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000540454347 939256653 /nfs/dbraw/zinc/25/66/53/939256653.db2.gz OWULUSZFMCGYRW-CQSZACIVSA-N 0 0 404.488 4.301 20 5 HIBDRN CN(C(=O)c1ncccc1C(F)(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540453524 939256698 /nfs/dbraw/zinc/25/66/98/939256698.db2.gz CGRWXXIRSNCBAE-UHFFFAOYSA-N 0 0 408.361 4.409 20 5 HIBDRN Cc1ccccc1-n1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cn1 ZINC000540456387 939258983 /nfs/dbraw/zinc/25/89/83/939258983.db2.gz SIVFMOQMZDRWOE-UHFFFAOYSA-N 0 0 419.466 4.489 20 5 HIBDRN O=C(N[C@H]1COc2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000540488249 939271584 /nfs/dbraw/zinc/27/15/84/939271584.db2.gz MQOYPEQSLVSFOY-SFHVURJKSA-N 0 0 420.446 4.120 20 5 HIBDRN O=C(CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000540521509 939285829 /nfs/dbraw/zinc/28/58/29/939285829.db2.gz WKHDQXHNTBKWAS-HNNXBMFYSA-N 0 0 421.297 4.445 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000540545609 939300416 /nfs/dbraw/zinc/30/04/16/939300416.db2.gz UUODVQGONZLWIK-UHFFFAOYSA-N 0 0 416.437 4.467 20 5 HIBDRN C[C@@H](c1ccsc1)N1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000540566876 939306638 /nfs/dbraw/zinc/30/66/38/939306638.db2.gz GMRUNWIQDKRHAG-INIZCTEOSA-N 0 0 422.510 4.237 20 5 HIBDRN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000540582300 939310892 /nfs/dbraw/zinc/31/08/92/939310892.db2.gz SFFHEQJNARARMX-OAHLLOKOSA-N 0 0 412.833 4.078 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC(c2ccc(O)cc2)CC1 ZINC000540587453 939311945 /nfs/dbraw/zinc/31/19/45/939311945.db2.gz IBVKFSZRQSAMJX-UHFFFAOYSA-N 0 0 403.438 4.382 20 5 HIBDRN O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000540615116 939320612 /nfs/dbraw/zinc/32/06/12/939320612.db2.gz ARZPNPOYGBLLPP-UHFFFAOYSA-N 0 0 407.707 4.175 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000540622327 939322482 /nfs/dbraw/zinc/32/24/82/939322482.db2.gz VFQIAFWWAHNUTC-QUCCMNQESA-N 0 0 416.449 4.190 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCc3cc(Br)ccc3C2)c1 ZINC000540653753 939331654 /nfs/dbraw/zinc/33/16/54/939331654.db2.gz UOVALSUKKQIXEJ-UHFFFAOYSA-N 0 0 419.275 4.020 20 5 HIBDRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)nn1-c1cccc(F)c1 ZINC000540677428 939337031 /nfs/dbraw/zinc/33/70/31/939337031.db2.gz ISQBYWZCHDROTR-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C)c(C(=O)OC)s1 ZINC000540691416 939340266 /nfs/dbraw/zinc/34/02/66/939340266.db2.gz FAPLSLQIEFYOTG-UHFFFAOYSA-N 0 0 409.489 4.291 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000540735246 939353465 /nfs/dbraw/zinc/35/34/65/939353465.db2.gz XYPMVFDAXBQCTB-UHFFFAOYSA-N 0 0 411.487 4.379 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000540779729 939369675 /nfs/dbraw/zinc/36/96/75/939369675.db2.gz ZETWOTROGSHSDD-MRXNPFEDSA-N 0 0 420.462 4.006 20 5 HIBDRN COc1cc(CNc2nnc(Cc3ccc4ccccc4c3)o2)c([N+](=O)[O-])cc1O ZINC000540794753 939375113 /nfs/dbraw/zinc/37/51/13/939375113.db2.gz XQPOOMNJCKAKBV-UHFFFAOYSA-N 0 0 406.398 4.048 20 5 HIBDRN CCc1cc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000540802344 939378134 /nfs/dbraw/zinc/37/81/34/939378134.db2.gz WZABNGNBYZBIBF-UHFFFAOYSA-N 0 0 402.458 4.356 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCCOc2cc(F)ccc21 ZINC000540819635 939382955 /nfs/dbraw/zinc/38/29/55/939382955.db2.gz YFQMXKITEUFYDY-ZDUSSCGKSA-N 0 0 411.336 4.371 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)on1 ZINC000540857071 939397263 /nfs/dbraw/zinc/39/72/63/939397263.db2.gz BIVWQPLAOGASFG-UHFFFAOYSA-N 0 0 411.801 4.275 20 5 HIBDRN O=C(Cc1csc(-c2cccs2)n1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000540893774 939413150 /nfs/dbraw/zinc/41/31/50/939413150.db2.gz CYDLUQIGKJHWRR-UHFFFAOYSA-N 0 0 407.904 4.335 20 5 HIBDRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)[C@@H]2C ZINC000541003945 939429385 /nfs/dbraw/zinc/42/93/85/939429385.db2.gz FJZQRKXAFVPSBY-IAGOWNOFSA-N 0 0 423.513 4.354 20 5 HIBDRN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)CC3 ZINC000541027294 939434837 /nfs/dbraw/zinc/43/48/37/939434837.db2.gz YRUHNSMLXMNDAC-ZDUSSCGKSA-N 0 0 415.396 4.273 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](c3nc(C)no3)C2)cc1OC ZINC000541057539 939444283 /nfs/dbraw/zinc/44/42/83/939444283.db2.gz OUWYSTIWSXQXRM-GOEBONIOSA-N 0 0 418.494 4.099 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(CCCO)c3)cc2[N+](=O)[O-])C1 ZINC000541058670 939445045 /nfs/dbraw/zinc/44/50/45/939445045.db2.gz WYLDKBDHYYHRCA-CALCHBBNSA-N 0 0 411.502 4.254 20 5 HIBDRN COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1[N+](=O)[O-] ZINC000541072507 939450319 /nfs/dbraw/zinc/45/03/19/939450319.db2.gz ADVJNJNOUXWKAW-UHFFFAOYSA-N 0 0 409.373 4.247 20 5 HIBDRN CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cn1 ZINC000541151460 939477487 /nfs/dbraw/zinc/47/74/87/939477487.db2.gz ZZYSESYLFIRZGD-UHFFFAOYSA-N 0 0 420.425 4.031 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000541250455 939487686 /nfs/dbraw/zinc/48/76/86/939487686.db2.gz DDKVYBLGTKCYBM-XZVRFQMRSA-N 0 0 423.498 4.335 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1(c2cccc(F)c2)CCOCC1 ZINC000541265230 939488407 /nfs/dbraw/zinc/48/84/07/939488407.db2.gz HTXKGROHVVHSRS-UHFFFAOYSA-N 0 0 424.881 4.302 20 5 HIBDRN CCn1c(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 ZINC000541431314 939514514 /nfs/dbraw/zinc/51/45/14/939514514.db2.gz UWYRBLFOPDNTGH-UHFFFAOYSA-N 0 0 418.906 4.069 20 5 HIBDRN CCc1cc(Br)ccc1NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000541461145 939523897 /nfs/dbraw/zinc/52/38/97/939523897.db2.gz HFSZDXDBGMFION-UHFFFAOYSA-N 0 0 408.252 4.250 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc(Br)cc12)c1c(Cl)cccc1[N+](=O)[O-] ZINC000541498427 939537105 /nfs/dbraw/zinc/53/71/05/939537105.db2.gz VXPVZDDKHNCKQG-UHFFFAOYSA-N 0 0 422.666 4.465 20 5 HIBDRN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000541514145 939541576 /nfs/dbraw/zinc/54/15/76/939541576.db2.gz WXOSOBCPPYBQIT-VFNWGFHPSA-N 0 0 406.442 4.012 20 5 HIBDRN Cc1n[nH]c(C(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)c1[N+](=O)[O-] ZINC000541524978 939544238 /nfs/dbraw/zinc/54/42/38/939544238.db2.gz UFKSUGUQTBGAEY-OAHLLOKOSA-N 0 0 405.241 4.453 20 5 HIBDRN Cc1c(Br)c(N(C)Cc2nc(C(F)(F)F)cs2)ncc1[N+](=O)[O-] ZINC000541578063 939559526 /nfs/dbraw/zinc/55/95/26/939559526.db2.gz HBLQWWGYLSLFNH-UHFFFAOYSA-N 0 0 411.203 4.172 20 5 HIBDRN Cc1nc2ccccc2n1CCCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000541591464 939562242 /nfs/dbraw/zinc/56/22/42/939562242.db2.gz GBQXYBGMMATKSZ-UHFFFAOYSA-N 0 0 404.268 4.221 20 5 HIBDRN O=[N+]([O-])c1cnc2c(c1)CN(Cc1cc(Cl)ccc1OCc1cccnc1)CC2 ZINC000541620959 939572914 /nfs/dbraw/zinc/57/29/14/939572914.db2.gz USEPKFIJQJHVBK-UHFFFAOYSA-N 0 0 410.861 4.176 20 5 HIBDRN COC1CCC(CCNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000541632832 939576854 /nfs/dbraw/zinc/57/68/54/939576854.db2.gz BCIGMWDSFSNWII-MUYFXNHWSA-N 0 0 403.523 4.156 20 5 HIBDRN CCC[C@H]1CCCCN1C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000541659973 939592398 /nfs/dbraw/zinc/59/23/98/939592398.db2.gz FNVMQLJAGNTDMD-HNNXBMFYSA-N 0 0 419.503 4.434 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2)cc1 ZINC000541686341 939601746 /nfs/dbraw/zinc/60/17/46/939601746.db2.gz HUWODVWHXACESD-OAHLLOKOSA-N 0 0 423.473 4.195 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)[nH]n1 ZINC000541724138 939614525 /nfs/dbraw/zinc/61/45/25/939614525.db2.gz LZEKCFPZOYOEDQ-ZDUSSCGKSA-N 0 0 402.520 4.270 20 5 HIBDRN CC(=O)Nc1ccc2nc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)sc2c1 ZINC000541755182 939621414 /nfs/dbraw/zinc/62/14/14/939621414.db2.gz JUFFTGUBUBCRQH-SECBINFHSA-N 0 0 402.407 4.044 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCc2c(Br)ccc(F)c2C1 ZINC000541764457 939624174 /nfs/dbraw/zinc/62/41/74/939624174.db2.gz IGSQCWISRGPHQZ-UHFFFAOYSA-N 0 0 418.222 4.176 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000541768547 939626055 /nfs/dbraw/zinc/62/60/55/939626055.db2.gz LMQRGSLYRKTEJW-GOSISDBHSA-N 0 0 401.488 4.140 20 5 HIBDRN Cc1cc(N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccn1 ZINC000541989937 939671602 /nfs/dbraw/zinc/67/16/02/939671602.db2.gz INKGRLUFQBYWSV-UHFFFAOYSA-N 0 0 422.407 4.196 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)cc1[N+](=O)[O-] ZINC000542001936 939678131 /nfs/dbraw/zinc/67/81/31/939678131.db2.gz WVJJEOUCOZSURV-UHFFFAOYSA-N 0 0 416.846 4.450 20 5 HIBDRN O=C(c1ccc(Cl)cc1)N1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542003550 939679470 /nfs/dbraw/zinc/67/94/70/939679470.db2.gz VLTZMYZIAOMGCX-UHFFFAOYSA-N 0 0 408.285 4.250 20 5 HIBDRN COc1cccc(Oc2ncccc2CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000542028428 939692083 /nfs/dbraw/zinc/69/20/83/939692083.db2.gz FFOAJQLPZDUWJP-UHFFFAOYSA-N 0 0 424.413 4.121 20 5 HIBDRN COc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1[N+](=O)[O-] ZINC000542030013 939692451 /nfs/dbraw/zinc/69/24/51/939692451.db2.gz GSZKVWUUUWFKGH-GFCCVEGCSA-N 0 0 414.393 4.295 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542031883 939693191 /nfs/dbraw/zinc/69/31/91/939693191.db2.gz HYUKAZPRJVWZGV-ZDUSSCGKSA-N 0 0 405.476 4.162 20 5 HIBDRN COc1ccc(NC(=O)N2CC(OCc3cccc4ccccc43)C2)cc1[N+](=O)[O-] ZINC000542034505 939694073 /nfs/dbraw/zinc/69/40/73/939694073.db2.gz HBFZJYCTHPLORJ-UHFFFAOYSA-N 0 0 407.426 4.190 20 5 HIBDRN O=C(c1ccc(OCCOc2ccccc2[N+](=O)[O-])cc1)N1CCc2sccc2C1 ZINC000542054563 939700209 /nfs/dbraw/zinc/70/02/09/939700209.db2.gz MRLZOEHKFSXDOU-UHFFFAOYSA-N 0 0 424.478 4.313 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCOCC2(CC2)C1 ZINC000542092942 939708390 /nfs/dbraw/zinc/70/83/90/939708390.db2.gz MIMKMWSSKJAAHE-UHFFFAOYSA-N 0 0 415.877 4.113 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCO)c(C)c1 ZINC000542096516 939711646 /nfs/dbraw/zinc/71/16/46/939711646.db2.gz XFVLFTFXRNWKQS-UHFFFAOYSA-N 0 0 404.488 4.419 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000542176072 939744834 /nfs/dbraw/zinc/74/48/34/939744834.db2.gz JDHDMYJRLUPGBJ-SECBINFHSA-N 0 0 419.684 4.050 20 5 HIBDRN CCOc1cccc([C@H]2C[C@H]2NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000542201040 939753984 /nfs/dbraw/zinc/75/39/84/939753984.db2.gz MEIMEUDZSPNETK-HZPDHXFCSA-N 0 0 406.891 4.411 20 5 HIBDRN C[C@](NC(=O)CSc1ccccc1[N+](=O)[O-])(c1ccc(F)cc1)C(F)(F)F ZINC000542201381 939754432 /nfs/dbraw/zinc/75/44/32/939754432.db2.gz MMFGYOJKYYJMNH-INIZCTEOSA-N 0 0 402.369 4.420 20 5 HIBDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000542202340 939754969 /nfs/dbraw/zinc/75/49/69/939754969.db2.gz ZPSVHHFEHHZVBA-HOCLYGCPSA-N 0 0 400.928 4.440 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000542212737 939759272 /nfs/dbraw/zinc/75/92/72/939759272.db2.gz AGJQLHBUYXDMBD-UHFFFAOYSA-N 0 0 420.853 4.363 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000542213774 939759850 /nfs/dbraw/zinc/75/98/50/939759850.db2.gz ZFGOQRQGLMUKGH-UHFFFAOYSA-N 0 0 407.879 4.119 20 5 HIBDRN Cc1c(Br)c(=O)n(Cc2ncc(-c3cccc(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000542216436 939761423 /nfs/dbraw/zinc/76/14/23/939761423.db2.gz LYQXQEQZOZCJEH-UHFFFAOYSA-N 0 0 424.638 4.184 20 5 HIBDRN CC(C)[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000542218035 939761735 /nfs/dbraw/zinc/76/17/35/939761735.db2.gz MBXYSZPLCWEJGV-OAHLLOKOSA-N 0 0 410.883 4.114 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(N2CCCCC2=O)c1 ZINC000542222790 939763219 /nfs/dbraw/zinc/76/32/19/939763219.db2.gz UPONNCGNXSBDDP-UHFFFAOYSA-N 0 0 419.890 4.496 20 5 HIBDRN COc1cccc([C@@H]2C[C@@H](C)CN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000542240678 939771075 /nfs/dbraw/zinc/77/10/75/939771075.db2.gz QFFVVBKMIRUDLV-PXAZEXFGSA-N 0 0 410.879 4.029 20 5 HIBDRN Cc1cccc([C@@H]2CCN(c3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)C2)c1 ZINC000542268224 939778061 /nfs/dbraw/zinc/77/80/61/939778061.db2.gz WLKGUVYPXNRQCJ-MRXNPFEDSA-N 0 0 410.861 4.096 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000542321699 939799853 /nfs/dbraw/zinc/79/98/53/939799853.db2.gz DLSTYITWHCXDAQ-KRWDZBQOSA-N 0 0 400.500 4.271 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@H](c3cccc(C)c3)C2)cc1[N+](=O)[O-] ZINC000542321906 939800017 /nfs/dbraw/zinc/80/00/17/939800017.db2.gz QGEXRJGGRIGEQI-SFHVURJKSA-N 0 0 400.500 4.161 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000542382141 939811511 /nfs/dbraw/zinc/81/15/11/939811511.db2.gz SWKYAAIFBJTQDV-UHFFFAOYSA-N 0 0 415.837 4.073 20 5 HIBDRN COc1ccc(CN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C2CC2)cc1 ZINC000542455898 939825884 /nfs/dbraw/zinc/82/58/84/939825884.db2.gz JOXKNLDXSZEEKM-HNNXBMFYSA-N 0 0 413.474 4.122 20 5 HIBDRN Cc1c(Br)c(NCc2nc(-c3ccc(Cl)cc3)no2)ncc1[N+](=O)[O-] ZINC000542505565 939834106 /nfs/dbraw/zinc/83/41/06/939834106.db2.gz IJEXVHYCLNBYCO-UHFFFAOYSA-N 0 0 424.642 4.376 20 5 HIBDRN Cc1c(Br)c(N2CCC(Nc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000542506232 939834347 /nfs/dbraw/zinc/83/43/47/939834347.db2.gz INHNCHZQBRUOHB-UHFFFAOYSA-N 0 0 409.259 4.281 20 5 HIBDRN C[C@@H](C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542522920 939836930 /nfs/dbraw/zinc/83/69/30/939836930.db2.gz OCCPXHSKRCSIRP-NEPJUHHUSA-N 0 0 409.820 4.025 20 5 HIBDRN C[C@H](C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542533088 939838965 /nfs/dbraw/zinc/83/89/65/939838965.db2.gz VBTFERLVMLEMJY-ZDUSSCGKSA-N 0 0 413.380 4.480 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000542535264 939839465 /nfs/dbraw/zinc/83/94/65/939839465.db2.gz KBWHKWSDXJDDOP-QMIHWGKISA-N 0 0 401.438 4.323 20 5 HIBDRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000542541359 939840642 /nfs/dbraw/zinc/84/06/42/939840642.db2.gz NTUWVZVDZBHUPX-KXBFYZLASA-N 0 0 416.449 4.054 20 5 HIBDRN C[C@@H](C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000542545494 939841612 /nfs/dbraw/zinc/84/16/12/939841612.db2.gz REGIBEFVUAJPKB-CQSZACIVSA-N 0 0 420.868 4.355 20 5 HIBDRN COc1cccc(C2(CNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CCCC2)c1 ZINC000542553589 939842739 /nfs/dbraw/zinc/84/27/39/939842739.db2.gz GIZCLFBNLWCKPN-HNNXBMFYSA-N 0 0 400.450 4.474 20 5 HIBDRN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000542584595 939846395 /nfs/dbraw/zinc/84/63/95/939846395.db2.gz MNRRXVTWELTZLM-WWMYMODYSA-N 0 0 408.502 4.449 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000542589038 939846741 /nfs/dbraw/zinc/84/67/41/939846741.db2.gz UDADBSVKMUSXIT-NEPJUHHUSA-N 0 0 406.508 4.035 20 5 HIBDRN C[C@H](C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542600566 939847555 /nfs/dbraw/zinc/84/75/55/939847555.db2.gz KPQOQRLIVQEESF-KBPBESRZSA-N 0 0 405.857 4.276 20 5 HIBDRN CCNc1ccc(C(=O)OCC)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542652325 939851765 /nfs/dbraw/zinc/85/17/65/939851765.db2.gz GWRGRLZFPONUGI-LBPRGKRZSA-N 0 0 403.410 4.085 20 5 HIBDRN 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ZINC000542927928 939879646 /nfs/dbraw/zinc/87/96/46/939879646.db2.gz NCKAMSSTKZGGKY-UHFFFAOYSA-N 0 0 404.382 4.367 20 5 HIBDRN Cc1c(C(=O)Nc2ncc(C3CCCCC3)s2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000542928904 939879932 /nfs/dbraw/zinc/87/99/32/939879932.db2.gz YMKCIFMZCQDTMB-UHFFFAOYSA-N 0 0 412.475 4.240 20 5 HIBDRN COc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000542930616 939880512 /nfs/dbraw/zinc/88/05/12/939880512.db2.gz QNEYABOOYKCCRR-UHFFFAOYSA-N 0 0 404.382 4.301 20 5 HIBDRN COc1ccc(NC(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1[N+](=O)[O-] ZINC000542961645 939886552 /nfs/dbraw/zinc/88/65/52/939886552.db2.gz CAEZYAUBIRYECN-UHFFFAOYSA-N 0 0 411.458 4.347 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(Cl)ccc1NCC1CCCCC1 ZINC000542990280 939892236 /nfs/dbraw/zinc/89/22/36/939892236.db2.gz OYRIERGPCSPQAO-UHFFFAOYSA-N 0 0 405.886 4.384 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000542992378 939892776 /nfs/dbraw/zinc/89/27/76/939892776.db2.gz NRLPTKMVOJVUEB-SFHVURJKSA-N 0 0 423.391 4.016 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)ccc1OCCO ZINC000543025442 939897870 /nfs/dbraw/zinc/89/78/70/939897870.db2.gz WANDMFVODMFAFA-UHFFFAOYSA-N 0 0 421.453 4.139 20 5 HIBDRN O=c1[nH]cnc2cc(N3CCC(F)(c4cccc(Cl)c4)CC3)c([N+](=O)[O-])cc12 ZINC000543064499 939917412 /nfs/dbraw/zinc/91/74/12/939917412.db2.gz NACHGBKJFQKPGM-UHFFFAOYSA-N 0 0 402.813 4.362 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N1CCCc2c([nH]c3c2cccc3F)C1 ZINC000543089541 939937122 /nfs/dbraw/zinc/93/71/22/939937122.db2.gz ACOQLSNLIBOXKR-UHFFFAOYSA-N 0 0 405.227 4.326 20 5 HIBDRN CC[C@H](c1nnc(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000543094651 939940221 /nfs/dbraw/zinc/94/02/21/939940221.db2.gz BNNRUEURBZBHEP-AEFFLSMTSA-N 0 0 415.471 4.052 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(CCCn2ccnc2)CC1 ZINC000543097345 939942485 /nfs/dbraw/zinc/94/24/85/939942485.db2.gz WMYNEQZACXDURR-UHFFFAOYSA-N 0 0 410.396 4.143 20 5 HIBDRN C[C@H](O)C[C@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000543098340 939943906 /nfs/dbraw/zinc/94/39/06/939943906.db2.gz MSPPZKFMVMMPHX-RYUDHWBXSA-N 0 0 417.512 4.245 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000543177154 939985912 /nfs/dbraw/zinc/98/59/12/939985912.db2.gz QNAWMJWHCHZEBI-GOSISDBHSA-N 0 0 411.483 4.448 20 5 HIBDRN C[C@@H](c1ccccc1Cl)N(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000543207170 939995704 /nfs/dbraw/zinc/99/57/04/939995704.db2.gz MHUPULCNAHPAKQ-AWEZNQCLSA-N 0 0 408.907 4.248 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2c3ccccc3[nH]c2C1 ZINC000543312400 940025903 /nfs/dbraw/zinc/02/59/03/940025903.db2.gz DYMYFTYZXFEUNF-UHFFFAOYSA-N 0 0 401.875 4.407 20 5 HIBDRN CCc1ccc([C@@H](NCc2nncn2-c2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543406056 940054880 /nfs/dbraw/zinc/05/48/80/940054880.db2.gz FBVRFPQUSSJEKR-QFIPXVFZSA-N 0 0 403.442 4.210 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(N3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)c21 ZINC000543435655 940063791 /nfs/dbraw/zinc/06/37/91/940063791.db2.gz RHBFTZUAGUHATR-INIZCTEOSA-N 0 0 405.241 4.423 20 5 HIBDRN C[C@H](C(=O)NCC1(c2ccccc2Cl)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000543481980 940078663 /nfs/dbraw/zinc/07/86/63/940078663.db2.gz OIJUIMJJVOZTHH-AWEZNQCLSA-N 0 0 420.868 4.355 20 5 HIBDRN C[C@H](C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543528707 940096101 /nfs/dbraw/zinc/09/61/01/940096101.db2.gz NCLKZKBYCWLRTH-DZGCQCFKSA-N 0 0 402.397 4.098 20 5 HIBDRN C[C@@H](N[C@H](C)c1nc(Cc2ccccc2)no1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000543539451 940098926 /nfs/dbraw/zinc/09/89/26/940098926.db2.gz BPLIRYODJOIPGY-ZIAGYGMSSA-N 0 0 420.429 4.030 20 5 HIBDRN CC(C)c1nc([C@H]2CCCCCN2C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)no1 ZINC000543613302 940131240 /nfs/dbraw/zinc/13/12/40/940131240.db2.gz URNMQWVPAXELDJ-SUMWQHHRSA-N 0 0 404.442 4.488 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)n(-c2ccccn2)n1 ZINC000543659731 940152835 /nfs/dbraw/zinc/15/28/35/940152835.db2.gz YWACNCVIGMWNQX-UHFFFAOYSA-N 0 0 420.473 4.063 20 5 HIBDRN CC[C@@H](NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 ZINC000543676479 940157868 /nfs/dbraw/zinc/15/78/68/940157868.db2.gz OBPIQPAUMWLXMK-SNVBAGLBSA-N 0 0 423.438 4.117 20 5 HIBDRN Cc1ccccc1-c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)no1 ZINC000543690330 940160762 /nfs/dbraw/zinc/16/07/62/940160762.db2.gz HZTAYSURRKCYKL-UHFFFAOYSA-N 0 0 412.471 4.384 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000543784308 940185743 /nfs/dbraw/zinc/18/57/43/940185743.db2.gz FOKATOOPLVXTKY-UHFFFAOYSA-N 0 0 420.412 4.387 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccccc1 ZINC000543784022 940185871 /nfs/dbraw/zinc/18/58/71/940185871.db2.gz ZSIULOBCIKBZGL-OAHLLOKOSA-N 0 0 404.369 4.074 20 5 HIBDRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543793058 940188111 /nfs/dbraw/zinc/18/81/11/940188111.db2.gz WAQVGYGZXUCQKR-OAHLLOKOSA-N 0 0 418.318 4.490 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)nn1-c1ccc(C)cc1 ZINC000543796547 940190274 /nfs/dbraw/zinc/19/02/74/940190274.db2.gz LOXPPUYMWCNVHC-UHFFFAOYSA-N 0 0 402.357 4.251 20 5 HIBDRN O=C(Nc1nc(Sc2ccccc2)ns1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543806468 940191993 /nfs/dbraw/zinc/19/19/93/940191993.db2.gz AJEOMYQDAVBSTL-UHFFFAOYSA-N 0 0 424.410 4.451 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(Oc2cccnc2)cc1 ZINC000563790531 945302506 /nfs/dbraw/zinc/30/25/06/945302506.db2.gz KZSFNUOBYWPMKG-UHFFFAOYSA-N 0 0 416.393 4.348 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000543843093 940206014 /nfs/dbraw/zinc/20/60/14/940206014.db2.gz PCDWYHOEEARIIW-SQGPQFPESA-N 0 0 416.522 4.308 20 5 HIBDRN COc1ccc(NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1[N+](=O)[O-] ZINC000543858880 940213006 /nfs/dbraw/zinc/21/30/06/940213006.db2.gz BYCJCCHCVNWEBC-UHFFFAOYSA-N 0 0 414.849 4.371 20 5 HIBDRN CCOCCOc1c(Cl)cccc1NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000543891942 940229193 /nfs/dbraw/zinc/22/91/93/940229193.db2.gz CDHVKCBNXNEQOZ-UHFFFAOYSA-N 0 0 409.826 4.316 20 5 HIBDRN COc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000543935891 940253956 /nfs/dbraw/zinc/25/39/56/940253956.db2.gz RFWJGYNAPBEADD-HXUWFJFHSA-N 0 0 413.474 4.179 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(C)c1OC ZINC000563830141 945307558 /nfs/dbraw/zinc/30/75/58/945307558.db2.gz TYPYLMFKEXYTBB-UHFFFAOYSA-N 0 0 409.236 4.244 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000563832225 945308432 /nfs/dbraw/zinc/30/84/32/945308432.db2.gz CJBDIBCKIOLDMX-JOCHJYFZSA-N 0 0 421.497 4.238 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000543981622 940283266 /nfs/dbraw/zinc/28/32/66/940283266.db2.gz GEJYDKJIYLNXDW-HXUWFJFHSA-N 0 0 409.442 4.422 20 5 HIBDRN CCCc1c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cnn1-c1ccccc1 ZINC000544032315 940305818 /nfs/dbraw/zinc/30/58/18/940305818.db2.gz NBJFHKOBXHGBLM-UHFFFAOYSA-N 0 0 403.442 4.396 20 5 HIBDRN C[C@@H](OC[C@@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000544052188 940311877 /nfs/dbraw/zinc/31/18/77/940311877.db2.gz ZSIHYKDPCRYQOT-KDOFPFPSSA-N 0 0 401.850 4.250 20 5 HIBDRN CCn1c(SCc2cncc(Br)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000544074546 940318350 /nfs/dbraw/zinc/31/83/50/940318350.db2.gz DJGYLGXJCMVDBE-UHFFFAOYSA-N 0 0 420.292 4.323 20 5 HIBDRN CC[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2cccc(Cl)c2O1 ZINC000544116857 940330539 /nfs/dbraw/zinc/33/05/39/940330539.db2.gz KFMXSKYROGKBAI-AWEZNQCLSA-N 0 0 400.822 4.476 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000544125551 940332775 /nfs/dbraw/zinc/33/27/75/940332775.db2.gz MSCJXEPUCFZWNB-UHFFFAOYSA-N 0 0 417.465 4.096 20 5 HIBDRN Cc1c(NC(=O)CCN[C@H](c2cccc(F)c2F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000544129141 940333698 /nfs/dbraw/zinc/33/36/98/940333698.db2.gz GWWLHPAJKUROCV-QGZVFWFLSA-N 0 0 417.334 4.403 20 5 HIBDRN Cc1cccc([C@@H]2CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C2)c1 ZINC000544188331 940347786 /nfs/dbraw/zinc/34/77/86/940347786.db2.gz YEGAVEPZYBFBQJ-OAHLLOKOSA-N 0 0 408.376 4.474 20 5 HIBDRN C[C@@H](CN(C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1nccs1 ZINC000544217295 940357084 /nfs/dbraw/zinc/35/70/84/940357084.db2.gz OKJBZNXFFRVNKL-XHSDSOJGSA-N 0 0 416.547 4.409 20 5 HIBDRN CNc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000544296850 940382765 /nfs/dbraw/zinc/38/27/65/940382765.db2.gz VHRGKCOAQLIJSV-GFCCVEGCSA-N 0 0 410.293 4.438 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(CCCOc3ccc(F)cc3)no2)ccc1N1CCCC1 ZINC000544313107 940387549 /nfs/dbraw/zinc/38/75/49/940387549.db2.gz WBHRAFBCPVGMIY-UHFFFAOYSA-N 0 0 412.421 4.396 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000544334819 940393223 /nfs/dbraw/zinc/39/32/23/940393223.db2.gz XPBHAAGBMNLTRD-IBGZPJMESA-N 0 0 403.454 4.151 20 5 HIBDRN Cc1c(Br)c(N[C@H](CO)c2ccc(C(F)(F)F)cc2)ncc1[N+](=O)[O-] ZINC000544393607 940410772 /nfs/dbraw/zinc/41/07/72/940410772.db2.gz BQEVHYISCYUHRP-LLVKDONJSA-N 0 0 420.185 4.225 20 5 HIBDRN Cc1c(Br)c(NCCc2nc(C(F)(F)F)cs2)ncc1[N+](=O)[O-] ZINC000544394715 940410955 /nfs/dbraw/zinc/41/09/55/940410955.db2.gz QWVPLGPCSMCPMA-UHFFFAOYSA-N 0 0 411.203 4.191 20 5 HIBDRN CC[C@H](C(=O)N1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1)c1ccccc1 ZINC000544397920 940412038 /nfs/dbraw/zinc/41/20/38/940412038.db2.gz NOSDAKUJYPYCLC-SFHVURJKSA-N 0 0 419.485 4.135 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000544415457 940417208 /nfs/dbraw/zinc/41/72/08/940417208.db2.gz QRZKLPXBUNCPJF-YLJYHZDGSA-N 0 0 424.432 4.031 20 5 HIBDRN Cc1cc(N2CCSCC2)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544422906 940422724 /nfs/dbraw/zinc/42/27/24/940422724.db2.gz GXAIIIVGLGTZAB-CQSZACIVSA-N 0 0 403.479 4.338 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000544430972 940427587 /nfs/dbraw/zinc/42/75/87/940427587.db2.gz QDCRHGVHFXVRTG-ZIAGYGMSSA-N 0 0 401.438 4.313 20 5 HIBDRN Cc1cnc([C@H](C)CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000544467096 940443985 /nfs/dbraw/zinc/44/39/85/940443985.db2.gz VYPLIMZQCQXVPW-RBSFLKMASA-N 0 0 416.547 4.376 20 5 HIBDRN O=C(c1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000563902123 945321514 /nfs/dbraw/zinc/32/15/14/945321514.db2.gz XLKOWLKFXVYQOM-UHFFFAOYSA-N 0 0 406.360 4.349 20 5 HIBDRN C/C=C/c1ccc(OCc2nc(CCNc3ccccc3[N+](=O)[O-])no2)c(OC)c1 ZINC000544537522 940474738 /nfs/dbraw/zinc/47/47/38/940474738.db2.gz FVXGYSXRMGGXQK-ZZXKWVIFSA-N 0 0 410.430 4.253 20 5 HIBDRN COc1ccc(Cc2nc(-c3ccc(Oc4cccnc4)cc3)no2)cc1[N+](=O)[O-] ZINC000544610507 940490132 /nfs/dbraw/zinc/49/01/32/940490132.db2.gz WLDJYRNPXNFTES-UHFFFAOYSA-N 0 0 404.382 4.432 20 5 HIBDRN Cc1cc(C)n(-c2ccc(-c3noc([C@@H](C)c4ccc([N+](=O)[O-])cc4F)n3)cn2)n1 ZINC000544614689 940490784 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940768739 /nfs/dbraw/zinc/76/87/39/940768739.db2.gz JHQBZVKFUYIIQR-UHFFFAOYSA-N 0 0 421.257 4.391 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccnc(N5CCCC5)c4)no3)cs2)c1 ZINC000546326674 940786324 /nfs/dbraw/zinc/78/63/24/940786324.db2.gz BLPUEJWDDMQGMI-UHFFFAOYSA-N 0 0 420.454 4.431 20 5 HIBDRN COc1cc(-c2nc(COc3ccc4ccccc4c3)no2)cc([N+](=O)[O-])c1OC ZINC000546349117 940798031 /nfs/dbraw/zinc/79/80/31/940798031.db2.gz NNKPSDGTHUFBPW-UHFFFAOYSA-N 0 0 407.382 4.394 20 5 HIBDRN Cc1[nH]c2ccccc2c1Cc1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000546362399 940801856 /nfs/dbraw/zinc/80/18/56/940801856.db2.gz PMDBTPSOIQHHFI-UHFFFAOYSA-N 0 0 401.382 4.279 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)c(Cl)c1 ZINC000546361133 940801927 /nfs/dbraw/zinc/80/19/27/940801927.db2.gz CTAVBLBJGUHKBS-UHFFFAOYSA-N 0 0 409.789 4.471 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(-c2cccc(OCc3cscn3)c2)n1 ZINC000546376205 940805097 /nfs/dbraw/zinc/80/50/97/940805097.db2.gz DJAKSWLFBRWDJM-UHFFFAOYSA-N 0 0 423.454 4.335 20 5 HIBDRN CC(=O)c1cccc(OCc2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4C)no3)no2)c1 ZINC000546400067 940811262 /nfs/dbraw/zinc/81/12/62/940811262.db2.gz PXOAIFLPKCEJQW-UHFFFAOYSA-N 0 0 420.381 4.390 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000546405777 940812421 /nfs/dbraw/zinc/81/24/21/940812421.db2.gz CECJMJFQSWKEGA-UHFFFAOYSA-N 0 0 401.810 4.495 20 5 HIBDRN CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)c1 ZINC000546411039 940813797 /nfs/dbraw/zinc/81/37/97/940813797.db2.gz GRSBQDQJFVMYEN-UHFFFAOYSA-N 0 0 422.445 4.416 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)c2nc(CCCOCCc3ccccc3)no2)cc1 ZINC000546433489 940819058 /nfs/dbraw/zinc/81/90/58/940819058.db2.gz DRBBVLXWEPVAPZ-UHFFFAOYSA-N 0 0 403.385 4.310 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000564024069 945353374 /nfs/dbraw/zinc/35/33/74/945353374.db2.gz MVQPCXRIFOYEPX-KGLIPLIRSA-N 0 0 402.447 4.168 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3ccnn3C3CCCC3)n2)c(Br)c1 ZINC000546449981 940822818 /nfs/dbraw/zinc/82/28/18/940822818.db2.gz YEKGKQTWUFBVPK-UHFFFAOYSA-N 0 0 418.251 4.310 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(-c4cc(C)cc(C)n4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000546461298 940826085 /nfs/dbraw/zinc/82/60/85/940826085.db2.gz UBWCUMCORVPPJQ-UHFFFAOYSA-N 0 0 404.430 4.185 20 5 HIBDRN C[C@@H](CNC(=O)c1ccccc1)c1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000546464486 940827088 /nfs/dbraw/zinc/82/70/88/940827088.db2.gz SABZSKWOCZYMQR-NSHDSACASA-N 0 0 420.347 4.197 20 5 HIBDRN Cc1cc(-c2noc([C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)ccc1-n1cncn1 ZINC000546467480 940827710 /nfs/dbraw/zinc/82/77/10/940827710.db2.gz QMTYLHGOMKVSDS-CYBMUJFWSA-N 0 0 408.443 4.387 20 5 HIBDRN Cc1ncc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)s1 ZINC000546466540 940827858 /nfs/dbraw/zinc/82/78/58/940827858.db2.gz UNRUBPODGHRZTM-SNAWJCMRSA-N 0 0 407.249 4.266 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccnc(OC4CCC4)c3)no2)ccc1N1CCCC1 ZINC000546466187 940827872 /nfs/dbraw/zinc/82/78/72/940827872.db2.gz RKBZTQBNQSKGEZ-UHFFFAOYSA-N 0 0 407.430 4.238 20 5 HIBDRN CC(C)CC(=O)Nc1ccc(Cl)c(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 ZINC000546485551 940832880 /nfs/dbraw/zinc/83/28/80/940832880.db2.gz MIHSKESJFSJWEE-UHFFFAOYSA-N 0 0 415.837 4.269 20 5 HIBDRN C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1cccc(C(=O)c2ccccc2)c1 ZINC000546486212 940833157 /nfs/dbraw/zinc/83/31/57/940833157.db2.gz QMEBMYHDTSGMCI-OAHLLOKOSA-N 0 0 414.421 4.346 20 5 HIBDRN C[C@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1cccc(C(=O)c2ccccc2)c1 ZINC000546486210 940833294 /nfs/dbraw/zinc/83/32/94/940833294.db2.gz QMEBMYHDTSGMCI-HNNXBMFYSA-N 0 0 414.421 4.346 20 5 HIBDRN CC(=O)N(CCc1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1)C(C)C ZINC000546492878 940835664 /nfs/dbraw/zinc/83/56/64/940835664.db2.gz UPXVDMPERWXJDC-UHFFFAOYSA-N 0 0 423.473 4.056 20 5 HIBDRN COc1ccc(/C=C/c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c(OC)c1 ZINC000546493908 940835901 /nfs/dbraw/zinc/83/59/01/940835901.db2.gz HGQFXNOISYUUIW-XBXARRHUSA-N 0 0 406.398 4.238 20 5 HIBDRN CO[C@H](c1noc(COc2ccccc2[N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000546513971 940840259 /nfs/dbraw/zinc/84/02/59/940840259.db2.gz CJQFZOYBNLRWPC-INIZCTEOSA-N 0 0 420.219 4.055 20 5 HIBDRN CO[C@H](c1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1 ZINC000546517789 940840970 /nfs/dbraw/zinc/84/09/70/940840970.db2.gz CVPVGCRINGZABV-AWEZNQCLSA-N 0 0 408.183 4.282 20 5 HIBDRN CC(C)(C(=O)NCc1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000546536651 940846792 /nfs/dbraw/zinc/84/67/92/940846792.db2.gz PINXERWTAYABKC-UHFFFAOYSA-N 0 0 401.257 4.152 20 5 HIBDRN CC(C)(C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1F ZINC000546537207 940847085 /nfs/dbraw/zinc/84/70/85/940847085.db2.gz MXNYZSLBZIDHLZ-CQSZACIVSA-N 0 0 406.841 4.345 20 5 HIBDRN CN(Cc1ccc(Br)cc1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000546539626 940847368 /nfs/dbraw/zinc/84/73/68/940847368.db2.gz ZPFZQDXLYHOMKZ-UHFFFAOYSA-N 0 0 409.255 4.433 20 5 HIBDRN Cc1cc(Cc2noc([C@@H]3CC(=O)N(c4ccccc4Cl)C3)n2)ccc1[N+](=O)[O-] ZINC000546562252 940854014 /nfs/dbraw/zinc/85/40/14/940854014.db2.gz WXPFMTKBCTYHCQ-CQSZACIVSA-N 0 0 412.833 4.051 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2cccc(OCC)c2[N+](=O)[O-])C1 ZINC000546578181 940856875 /nfs/dbraw/zinc/85/68/75/940856875.db2.gz JNKVQPWOFYGJTP-AWEZNQCLSA-N 0 0 417.428 4.011 20 5 HIBDRN O=C1CCCC(=O)N1Cc1ccc(N[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000546654698 940865778 /nfs/dbraw/zinc/86/57/78/940865778.db2.gz XUCQMTOAIKQGLE-GHTZIAJQSA-N 0 0 421.497 4.457 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)N2CCCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000546676071 940868632 /nfs/dbraw/zinc/86/86/32/940868632.db2.gz GSBGJNVBDZRXPT-QGZVFWFLSA-N 0 0 423.498 4.242 20 5 HIBDRN CCC(CC)(C(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000546755215 940877471 /nfs/dbraw/zinc/87/74/71/940877471.db2.gz QLCJSNCYCVXNOC-UHFFFAOYSA-N 0 0 400.475 4.029 20 5 HIBDRN Cc1ccc(F)c2c1CCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000546794909 940884246 /nfs/dbraw/zinc/88/42/46/940884246.db2.gz NRGQMYOSGBPJKF-UHFFFAOYSA-N 0 0 418.368 4.203 20 5 HIBDRN Cc1nc(C(F)(F)F)c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000546808627 940886335 /nfs/dbraw/zinc/88/63/35/940886335.db2.gz HNXDHIYAHFVOOX-UHFFFAOYSA-N 0 0 401.410 4.422 20 5 HIBDRN Cc1nnc([C@H](C)N[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)s1 ZINC000546809619 940886478 /nfs/dbraw/zinc/88/64/78/940886478.db2.gz ZPICRAGJYCAPBP-UGSOOPFHSA-N 0 0 411.487 4.094 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCC[C@@H]3CCCCO3)cc2[N+](=O)[O-])C1 ZINC000546868891 940898460 /nfs/dbraw/zinc/89/84/60/940898460.db2.gz HFRRRNMSIGTSGO-LMMKCTJWSA-N 0 0 403.523 4.156 20 5 HIBDRN CCOc1ccc(-n2c(Sc3ncc([N+](=O)[O-])cn3)nnc2-c2ccccc2)cc1 ZINC000546899206 940906668 /nfs/dbraw/zinc/90/66/68/940906668.db2.gz YBNTUBNTMAGWBS-UHFFFAOYSA-N 0 0 420.454 4.182 20 5 HIBDRN Cc1cc(C)n(-c2ccc(Cc3noc(CN(C)c4ccccc4[N+](=O)[O-])n3)cc2)n1 ZINC000546953335 940925721 /nfs/dbraw/zinc/92/57/21/940925721.db2.gz GETNLWMSYHKSMV-UHFFFAOYSA-N 0 0 418.457 4.008 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4cc(Cl)c5c(c4)OCCCO5)no3)c2c1 ZINC000546954654 940926164 /nfs/dbraw/zinc/92/61/64/940926164.db2.gz ZQFVDAWYDQUWES-UHFFFAOYSA-N 0 0 413.777 4.003 20 5 HIBDRN Cc1ccc(-n2cnnc2SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1C ZINC000546966488 940931010 /nfs/dbraw/zinc/93/10/10/940931010.db2.gz OUIRKFJCEWDFHN-UHFFFAOYSA-N 0 0 408.443 4.135 20 5 HIBDRN O=C(NCc1ccco1)c1cccc(-c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)c1 ZINC000546976565 940934160 /nfs/dbraw/zinc/93/41/60/940934160.db2.gz FJDNFUBYGRPUJC-KHPPLWFESA-N 0 0 416.393 4.338 20 5 HIBDRN O=c1nc(Cc2noc(C=Cc3cccc([N+](=O)[O-])c3)n2)[nH]c2scc(C3CC3)c21 ZINC000546989222 940943147 /nfs/dbraw/zinc/94/31/47/940943147.db2.gz ZUVSGQUFZYUYMP-QPJJXVBHSA-N 0 0 421.438 4.327 20 5 HIBDRN CNc1ccc(-c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)cc1[N+](=O)[O-] ZINC000547014022 940956931 /nfs/dbraw/zinc/95/69/31/940956931.db2.gz PZARTVBMZXWCKG-UHFFFAOYSA-N 0 0 408.336 4.432 20 5 HIBDRN O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4cccnc4OC4CCCC4)no3)n2)cc1 ZINC000547066414 940981406 /nfs/dbraw/zinc/98/14/06/940981406.db2.gz MHPRKSZTNVIBDZ-UHFFFAOYSA-N 0 0 418.413 4.214 20 5 HIBDRN Cc1c(Cc2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)cccc1[N+](=O)[O-] ZINC000547068812 940982515 /nfs/dbraw/zinc/98/25/15/940982515.db2.gz LPMSAKYZHLSSDH-UHFFFAOYSA-N 0 0 418.240 4.422 20 5 HIBDRN O=[N+]([O-])c1cccc(OCc2nc(Cc3ccc(F)c(Br)c3)no2)c1 ZINC000547080841 940987607 /nfs/dbraw/zinc/98/76/07/940987607.db2.gz WOTKGWQWNUIRCE-UHFFFAOYSA-N 0 0 408.183 4.049 20 5 HIBDRN CCOC(=O)c1cc(-c2nc(-c3cccnc3OC3CCCC3)no2)cc([N+](=O)[O-])c1 ZINC000547082001 940987736 /nfs/dbraw/zinc/98/77/36/940987736.db2.gz TUJCUHNBBWWRBM-UHFFFAOYSA-N 0 0 424.413 4.205 20 5 HIBDRN CCOc1cc(/C=C/c2nc(CCNc3ccccc3[N+](=O)[O-])no2)ccc1OC ZINC000547083216 940988039 /nfs/dbraw/zinc/98/80/39/940988039.db2.gz RFAMFAHSMKQZMM-PKNBQFBNSA-N 0 0 410.430 4.210 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(CCCc2ncc(-c3ccccc3)o2)n1 ZINC000547083279 940988177 /nfs/dbraw/zinc/98/81/77/940988177.db2.gz VJDAPSXQXCOSIA-UHFFFAOYSA-N 0 0 419.441 4.463 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(Cc2cc(Br)ccc2F)n1 ZINC000547085507 940988938 /nfs/dbraw/zinc/98/89/38/940988938.db2.gz XJXKOTUYGNHAKR-UHFFFAOYSA-N 0 0 421.226 4.125 20 5 HIBDRN Cc1ccc(-c2nc(Cc3nc(CCNc4ccccc4[N+](=O)[O-])no3)cs2)o1 ZINC000547089200 940991140 /nfs/dbraw/zinc/99/11/40/940991140.db2.gz PYANKPDNSPYKTQ-UHFFFAOYSA-N 0 0 411.443 4.248 20 5 HIBDRN Cc1nnc(SCc2nc(-c3ccc([N+](=O)[O-])cc3C)no2)n1Cc1ccccc1 ZINC000547106014 940998246 /nfs/dbraw/zinc/99/82/46/940998246.db2.gz OOYIPOXDUCTVBU-UHFFFAOYSA-N 0 0 422.470 4.194 20 5 HIBDRN O=c1cc(-c2nc(CCCOCCc3ccccc3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000547142178 941010079 /nfs/dbraw/zinc/01/00/79/941010079.db2.gz FONCHWHXQXWBKT-UHFFFAOYSA-N 0 0 420.425 4.091 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3ccnc(C4CC4)c3)n2)c(Br)c1 ZINC000547150189 941012464 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SRVPNKIBBLPKSC-GFCCVEGCSA-N 0 0 407.517 4.251 20 5 HIBDRN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1ncc(Br)cn1 ZINC000551211253 941428426 /nfs/dbraw/zinc/42/84/26/941428426.db2.gz GRCRFYXFASRUHY-YPMHNXCESA-N 0 0 411.325 4.369 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000551223878 941430449 /nfs/dbraw/zinc/43/04/49/941430449.db2.gz LXLQKNUJEXSATD-UHFFFAOYSA-N 0 0 404.401 4.386 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000551317094 941450303 /nfs/dbraw/zinc/45/03/03/941450303.db2.gz SAVIPTSWVAVSIU-KSSFIOAISA-N 0 0 419.275 4.316 20 5 HIBDRN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551333560 941453937 /nfs/dbraw/zinc/45/39/37/941453937.db2.gz ZFINLVSDSXLVLA-UHFFFAOYSA-N 0 0 409.284 4.008 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551340164 941456209 /nfs/dbraw/zinc/45/62/09/941456209.db2.gz AFPYSGKRFKHWMI-KRWDZBQOSA-N 0 0 417.456 4.181 20 5 HIBDRN COC(=O)c1sc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])nc1C(C)(C)C ZINC000551363830 941462151 /nfs/dbraw/zinc/46/21/51/941462151.db2.gz CVRZZNQLKFVWNZ-UHFFFAOYSA-N 0 0 405.476 4.052 20 5 HIBDRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000551391428 941468051 /nfs/dbraw/zinc/46/80/51/941468051.db2.gz ZVSDJQVEVMBFCL-UHFFFAOYSA-N 0 0 409.286 4.243 20 5 HIBDRN Cc1c(Cc2noc(C3(Cc4ccc(F)cc4)CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000551395935 941468924 /nfs/dbraw/zinc/46/89/24/941468924.db2.gz KOLHWKWTNMIELA-UHFFFAOYSA-N 0 0 411.433 4.307 20 5 HIBDRN O=[N+]([O-])c1cccc(Cc2nc(Cc3c(F)ccc(Br)c3F)no2)c1 ZINC000551436068 941478620 /nfs/dbraw/zinc/47/86/20/941478620.db2.gz RYYVCQAGHBJBTC-UHFFFAOYSA-N 0 0 410.174 4.200 20 5 HIBDRN Cc1c(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cnn1C1CCCC1 ZINC000551457467 941483637 /nfs/dbraw/zinc/48/36/37/941483637.db2.gz NTMNGTXDWQCTEP-UHFFFAOYSA-N 0 0 413.478 4.090 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000551603988 941509998 /nfs/dbraw/zinc/50/99/98/941509998.db2.gz XTUUPAFMZCVUJM-NSHDSACASA-N 0 0 414.270 4.095 20 5 HIBDRN C[C@H]1Sc2ccc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)cc2NC1=O ZINC000551663811 941521601 /nfs/dbraw/zinc/52/16/01/941521601.db2.gz FJMCQSOBDRVJQR-MRVPVSSYSA-N 0 0 422.260 4.042 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cnc(-c2cccnc2)s1 ZINC000551668423 941522418 /nfs/dbraw/zinc/52/24/18/941522418.db2.gz QSDZYYBOTRRLAI-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN CCc1cc(N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000552021987 941569203 /nfs/dbraw/zinc/56/92/03/941569203.db2.gz GTTHKRCPVQKKCR-RTBURBONSA-N 0 0 415.497 4.187 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCN(c2ccccc2Cl)CC1 ZINC000552033004 941570740 /nfs/dbraw/zinc/57/07/40/941570740.db2.gz HEVNBBCUNAIICK-UHFFFAOYSA-N 0 0 414.893 4.175 20 5 HIBDRN Cn1ccnc1[C@H](NCCc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000552046989 941573228 /nfs/dbraw/zinc/57/32/28/941573228.db2.gz XEDVCMFRDCOSTG-MRXNPFEDSA-N 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O=C(NCCSCc1ccc(Cl)cc1Cl)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552411448 941662218 /nfs/dbraw/zinc/66/22/18/941662218.db2.gz BCOFXNYFVMDWHK-UHFFFAOYSA-N 0 0 401.271 4.270 20 5 HIBDRN COc1cc(C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000552580921 941712405 /nfs/dbraw/zinc/71/24/05/941712405.db2.gz ZHQALPSTHQQTET-IBGZPJMESA-N 0 0 404.850 4.155 20 5 HIBDRN O=C(Nc1cccc(COc2ccc(F)cc2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000552600303 941718179 /nfs/dbraw/zinc/71/81/79/941718179.db2.gz SEZSGVHHBJEZOA-UHFFFAOYSA-N 0 0 424.384 4.336 20 5 HIBDRN CC1(C)CC(=O)c2cc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)ccc2O1 ZINC000552627494 941726249 /nfs/dbraw/zinc/72/62/49/941726249.db2.gz WPYRSWCMYRLSQF-UHFFFAOYSA-N 0 0 419.231 4.353 20 5 HIBDRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000552636860 941728064 /nfs/dbraw/zinc/72/80/64/941728064.db2.gz AMXGPSICAYCIKB-SWLSCSKDSA-N 0 0 422.865 4.300 20 5 HIBDRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000552636859 941728234 /nfs/dbraw/zinc/72/82/34/941728234.db2.gz AMXGPSICAYCIKB-IUODEOHRSA-N 0 0 422.865 4.300 20 5 HIBDRN Cc1cc(Br)c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000552707495 941741757 /nfs/dbraw/zinc/74/17/57/941741757.db2.gz KNEZHWXSKGHEAQ-UHFFFAOYSA-N 0 0 412.671 4.161 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC=C(c4ccncc4)C3)cc2[N+](=O)[O-])C1 ZINC000552733091 941747798 /nfs/dbraw/zinc/74/77/98/941747798.db2.gz NVVGHHYPCKMKOU-QZTJIDSGSA-N 0 0 420.513 4.402 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000552746189 941751227 /nfs/dbraw/zinc/75/12/27/941751227.db2.gz BOKVHUOAMWYHMQ-UHFFFAOYSA-N 0 0 414.215 4.169 20 5 HIBDRN Cc1noc([C@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)n1 ZINC000552771164 941757743 /nfs/dbraw/zinc/75/77/43/941757743.db2.gz NIGIYLLWGDBHIQ-VIFPVBQESA-N 0 0 407.224 4.160 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000552775627 941758589 /nfs/dbraw/zinc/75/85/89/941758589.db2.gz NDJOWMWZSQBDKM-IBGZPJMESA-N 0 0 406.360 4.224 20 5 HIBDRN Nc1c(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)cc(F)cc1[N+](=O)[O-] ZINC000552783355 941761830 /nfs/dbraw/zinc/76/18/30/941761830.db2.gz QVKVVVVSMRUBGY-UHFFFAOYSA-N 0 0 406.826 4.023 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccnn2C)CC1 ZINC000552795597 941766498 /nfs/dbraw/zinc/76/64/98/941766498.db2.gz XQXTXOGGGZKWAM-UHFFFAOYSA-N 0 0 400.504 4.150 20 5 HIBDRN COc1ccc(Cn2cc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cn2)cc1 ZINC000552803544 941768644 /nfs/dbraw/zinc/76/86/44/941768644.db2.gz HZIUSLALAANKNG-UHFFFAOYSA-N 0 0 424.460 4.187 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000552828485 941780557 /nfs/dbraw/zinc/78/05/57/941780557.db2.gz NGJXPEXNIDECKD-MONBJTKQSA-N 0 0 423.513 4.339 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(OC)c(OC)c1 ZINC000552889130 941798296 /nfs/dbraw/zinc/79/82/96/941798296.db2.gz JQKAMQPXAXILGQ-OAHLLOKOSA-N 0 0 423.263 4.256 20 5 HIBDRN COC(=O)CCSCc1cccc(Nc2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC000553032911 941821001 /nfs/dbraw/zinc/82/10/01/941821001.db2.gz FWLIWNCTSNSSNP-UHFFFAOYSA-N 0 0 404.473 4.139 20 5 HIBDRN O=C(NCc1cnn2ccccc12)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000553058826 941826022 /nfs/dbraw/zinc/82/60/22/941826022.db2.gz QAERFEKPQCVXCX-UHFFFAOYSA-N 0 0 404.451 4.324 20 5 HIBDRN CC[C@](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])(C(=O)OC)c1ccc(Cl)cc1 ZINC000553135470 941838404 /nfs/dbraw/zinc/83/84/04/941838404.db2.gz GRWPBXQZSOABTE-GOSISDBHSA-N 0 0 411.241 4.110 20 5 HIBDRN O=c1[nH]c(N2CCC(F)(c3ccc(Cl)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000553223800 941852366 /nfs/dbraw/zinc/85/23/66/941852366.db2.gz ANUMWNIFFZKUDB-UHFFFAOYSA-N 0 0 402.813 4.362 20 5 HIBDRN COc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc2cccnc21 ZINC000553231435 941853394 /nfs/dbraw/zinc/85/33/94/941853394.db2.gz LEPYKFWUCMCMAV-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2ccc(F)cc2Cl)CC2CC2)s1 ZINC000553237803 941854811 /nfs/dbraw/zinc/85/48/11/941854811.db2.gz LGNOXWKWJIHNOP-UHFFFAOYSA-N 0 0 418.899 4.269 20 5 HIBDRN CC(=O)c1cc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] ZINC000553248233 941856327 /nfs/dbraw/zinc/85/63/27/941856327.db2.gz JRMYZVTYKUQJSX-UHFFFAOYSA-N 0 0 422.510 4.243 20 5 HIBDRN O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000553287911 941860997 /nfs/dbraw/zinc/86/09/97/941860997.db2.gz SXMBZWPTALUWAZ-UHFFFAOYSA-N 0 0 419.409 4.177 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000553343675 941870159 /nfs/dbraw/zinc/87/01/59/941870159.db2.gz UTIWUDCXKQRZBB-ZDUSSCGKSA-N 0 0 405.380 4.279 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000553367979 941873792 /nfs/dbraw/zinc/87/37/92/941873792.db2.gz KFWYJNZRUGMPTI-WIYYLYMNSA-N 0 0 424.501 4.261 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000553371213 941874821 /nfs/dbraw/zinc/87/48/21/941874821.db2.gz CYBOZVBQNYKQJZ-QYZOEREBSA-N 0 0 420.387 4.258 20 5 HIBDRN COc1c(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000553380901 941876564 /nfs/dbraw/zinc/87/65/64/941876564.db2.gz MTZAITOPOLFKHN-SJCJKPOMSA-N 0 0 424.375 4.224 20 5 HIBDRN CN(C(=O)c1cccc(Cn2ccnc2)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000553384452 941877594 /nfs/dbraw/zinc/87/75/94/941877594.db2.gz STLUUDDTIORDDQ-UHFFFAOYSA-N 0 0 419.466 4.240 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000553508230 941898861 /nfs/dbraw/zinc/89/88/61/941898861.db2.gz JSSPIYCSLCXPSZ-MRXNPFEDSA-N 0 0 404.264 4.114 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000553515200 941900893 /nfs/dbraw/zinc/90/08/93/941900893.db2.gz ZNNCCMSCIIWYAH-IAGOWNOFSA-N 0 0 418.291 4.097 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000553590395 941915449 /nfs/dbraw/zinc/91/54/49/941915449.db2.gz IYNZDEWZYZAVLJ-UHFFFAOYSA-N 0 0 402.323 4.004 20 5 HIBDRN Cc1cc(N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553598200 941917360 /nfs/dbraw/zinc/91/73/60/941917360.db2.gz AVXQCFJLXXVKCJ-VSKRKVRLSA-N 0 0 416.481 4.369 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553717884 941950929 /nfs/dbraw/zinc/95/09/29/941950929.db2.gz SQIRHBSGJGZINK-APPDUMDISA-N 0 0 412.339 4.355 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553717887 941951010 /nfs/dbraw/zinc/95/10/10/941951010.db2.gz SQIRHBSGJGZINK-PIGZYNQJSA-N 0 0 412.339 4.355 20 5 HIBDRN COc1cccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000553721300 941952029 /nfs/dbraw/zinc/95/20/29/941952029.db2.gz BUZAJRZMOAIGJQ-SJCJKPOMSA-N 0 0 424.375 4.224 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553721808 941952084 /nfs/dbraw/zinc/95/20/84/941952084.db2.gz KBAGVMDRNGNDLZ-GTNSWQLSSA-N 0 0 412.339 4.355 20 5 HIBDRN C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553721614 941952150 /nfs/dbraw/zinc/95/21/50/941952150.db2.gz GGBJVJXBICTVNV-IINYFYTJSA-N 0 0 400.378 4.277 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)c1OC ZINC000553738679 941956197 /nfs/dbraw/zinc/95/61/97/941956197.db2.gz FOJSFBQWLYUEKG-NSHDSACASA-N 0 0 423.263 4.174 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000553830812 941979634 /nfs/dbraw/zinc/97/96/34/941979634.db2.gz WLVXIHRGIRHANO-KRWDZBQOSA-N 0 0 409.364 4.444 20 5 HIBDRN COc1cc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000553909433 941996271 /nfs/dbraw/zinc/99/62/71/941996271.db2.gz KWBREEPOPGZZGG-XJKSGUPXSA-N 0 0 407.417 4.225 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)c(Cl)c1 ZINC000553925939 942000678 /nfs/dbraw/zinc/00/06/78/942000678.db2.gz ZKAALNAURDURJS-CYBMUJFWSA-N 0 0 404.776 4.463 20 5 HIBDRN CCOc1ccc(NC(=O)CN(C)[C@H](CC)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000553993633 942015041 /nfs/dbraw/zinc/01/50/41/942015041.db2.gz WBMBDEIDELJPKK-GOSISDBHSA-N 0 0 401.463 4.024 20 5 HIBDRN CC(C)(NC(=O)CN(Cc1cccnc1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000554058863 942026806 /nfs/dbraw/zinc/02/68/06/942026806.db2.gz OXQPUBKBFGGDOM-UHFFFAOYSA-N 0 0 404.470 4.048 20 5 HIBDRN CC(C)(NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1[N+](=O)[O-] ZINC000554069687 942029057 /nfs/dbraw/zinc/02/90/57/942029057.db2.gz BRUXLNRPVREEHE-INIZCTEOSA-N 0 0 419.890 4.103 20 5 HIBDRN CC(C)(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000554072506 942029529 /nfs/dbraw/zinc/02/95/29/942029529.db2.gz FGGBBBMMDIISAH-UHFFFAOYSA-N 0 0 415.449 4.114 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000554116747 942040595 /nfs/dbraw/zinc/04/05/95/942040595.db2.gz PULCJSXCLBDOCK-NLWGTHIKSA-N 0 0 414.527 4.191 20 5 HIBDRN Cc1c(CNC(=O)NCc2cc(F)c(C(F)(F)F)cc2F)cccc1[N+](=O)[O-] ZINC000554120018 942041310 /nfs/dbraw/zinc/04/13/10/942041310.db2.gz XGUHMMRCRACMHD-UHFFFAOYSA-N 0 0 403.307 4.200 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000554164899 942053961 /nfs/dbraw/zinc/05/39/61/942053961.db2.gz RUPVVKAACPZDJK-LBPRGKRZSA-N 0 0 400.822 4.055 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cnn(C)c3-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000554164698 942054051 /nfs/dbraw/zinc/05/40/51/942054051.db2.gz GBGXBBJWVDAMPA-MRXNPFEDSA-N 0 0 419.485 4.484 20 5 HIBDRN CC(C)c1nc(-c2ccccc2NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000554173845 942057334 /nfs/dbraw/zinc/05/73/34/942057334.db2.gz JBCWWTZEXFRGQJ-UHFFFAOYSA-N 0 0 418.413 4.009 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000554193659 942063424 /nfs/dbraw/zinc/06/34/24/942063424.db2.gz DDIPWXSJTODFPZ-UHFFFAOYSA-N 0 0 418.881 4.094 20 5 HIBDRN COc1cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])ccc1Br ZINC000554224865 942072205 /nfs/dbraw/zinc/07/22/05/942072205.db2.gz RCENCZXFJXNLFJ-UHFFFAOYSA-N 0 0 408.252 4.072 20 5 HIBDRN CCc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)C2)cc1 ZINC000554410731 942131691 /nfs/dbraw/zinc/13/16/91/942131691.db2.gz YDQNGZHFITUIMR-MRXNPFEDSA-N 0 0 423.498 4.056 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(Cl)cc1OCC(F)F ZINC000554644077 942185225 /nfs/dbraw/zinc/18/52/25/942185225.db2.gz SEZYDWHYFIVXIH-UHFFFAOYSA-N 0 0 409.776 4.486 20 5 HIBDRN Cc1cc(-c2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)ccc1F ZINC000554784822 942235491 /nfs/dbraw/zinc/23/54/91/942235491.db2.gz YLQUKKWUSYOAKL-SFHVURJKSA-N 0 0 410.405 4.378 20 5 HIBDRN CCOc1ccccc1C(=O)N1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000554788526 942237691 /nfs/dbraw/zinc/23/76/91/942237691.db2.gz FMFRDXGRAIKWJX-KRWDZBQOSA-N 0 0 408.414 4.021 20 5 HIBDRN COc1cc(Cc2noc(-c3cccc(Br)c3F)n2)ccc1[N+](=O)[O-] ZINC000554815658 942257816 /nfs/dbraw/zinc/25/78/16/942257816.db2.gz ZHQNCTAVRUJUNM-UHFFFAOYSA-N 0 0 408.183 4.146 20 5 HIBDRN O=C(Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000554859798 942294735 /nfs/dbraw/zinc/29/47/35/942294735.db2.gz HIVMHXVCNKUBSE-UHFFFAOYSA-N 0 0 406.320 4.168 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)c1 ZINC000554886309 942307755 /nfs/dbraw/zinc/30/77/55/942307755.db2.gz PEVABQCSEFRCKH-AWEZNQCLSA-N 0 0 402.447 4.282 20 5 HIBDRN C[C@H](O)C[C@@H]1COCCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000554889046 942309071 /nfs/dbraw/zinc/30/90/71/942309071.db2.gz DQRRTNAFBCASGO-GOEBONIOSA-N 0 0 406.866 4.012 20 5 HIBDRN CCc1nc2cc(CNC(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000554901949 942312078 /nfs/dbraw/zinc/31/20/78/942312078.db2.gz QJJYNMCFBMAEFR-CQSZACIVSA-N 0 0 407.474 4.402 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000554959015 942333835 /nfs/dbraw/zinc/33/38/35/942333835.db2.gz JSLRUCAIWKKPTR-OAHLLOKOSA-N 0 0 405.454 4.454 20 5 HIBDRN C[C@@H]1C[C@H]1c1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000554969833 942337592 /nfs/dbraw/zinc/33/75/92/942337592.db2.gz YMUQUYJPCIAXAH-MEBBXXQBSA-N 0 0 412.227 4.206 20 5 HIBDRN C[C@@H]1C[C@@H]1c1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000554969831 942337872 /nfs/dbraw/zinc/33/78/72/942337872.db2.gz YMUQUYJPCIAXAH-BMIGLBTASA-N 0 0 412.227 4.206 20 5 HIBDRN CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000555041776 942367921 /nfs/dbraw/zinc/36/79/21/942367921.db2.gz ATUQRQKBZLCZFQ-UHFFFAOYSA-N 0 0 423.521 4.209 20 5 HIBDRN Cc1nc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[nH]c1C ZINC000555070371 942375935 /nfs/dbraw/zinc/37/59/35/942375935.db2.gz BETBOUWNDCAYKI-NSHDSACASA-N 0 0 403.489 4.178 20 5 HIBDRN CCn1c2ccccc2nc1[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000555134265 942398495 /nfs/dbraw/zinc/39/84/95/942398495.db2.gz NFXALGDWVIMPNG-HNNXBMFYSA-N 0 0 407.474 4.374 20 5 HIBDRN Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000555143844 942403097 /nfs/dbraw/zinc/40/30/97/942403097.db2.gz NJFXPGMLYAMCOQ-UHFFFAOYSA-N 0 0 419.363 4.123 20 5 HIBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000555164889 942412237 /nfs/dbraw/zinc/41/22/37/942412237.db2.gz XWORJLHZBZHRMQ-MRXNPFEDSA-N 0 0 410.396 4.399 20 5 HIBDRN Cc1cccc([C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c2ccccn2)c1 ZINC000555188844 942423373 /nfs/dbraw/zinc/42/33/73/942423373.db2.gz JZXFNUNUCUOVQC-QFIPXVFZSA-N 0 0 404.470 4.272 20 5 HIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOc2ccc(Br)cc2C1 ZINC000555203001 942430533 /nfs/dbraw/zinc/43/05/33/942430533.db2.gz VWOSEQBAPLXLNM-UHFFFAOYSA-N 0 0 411.639 4.046 20 5 HIBDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000555218292 942434583 /nfs/dbraw/zinc/43/45/83/942434583.db2.gz NKHAGJUYGZINJT-GFCCVEGCSA-N 0 0 401.492 4.095 20 5 HIBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(C1)OCc1ccccc12 ZINC000555359670 942493749 /nfs/dbraw/zinc/49/37/49/942493749.db2.gz CTKPVRQMJJTHLF-QHCPKHFHSA-N 0 0 419.485 4.145 20 5 HIBDRN CC(C)(C)C1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)CC1 ZINC000555389655 942509440 /nfs/dbraw/zinc/50/94/40/942509440.db2.gz RCFYZQOBAOZRLI-IBGZPJMESA-N 0 0 413.522 4.295 20 5 HIBDRN CC1(C)CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)CC(C)(C)C1 ZINC000555508080 942609881 /nfs/dbraw/zinc/60/98/81/942609881.db2.gz XGIUVPROLXVZCL-INIZCTEOSA-N 0 0 413.522 4.152 20 5 HIBDRN O=[N+]([O-])c1cccc(Br)c1OC[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000555566496 942647511 /nfs/dbraw/zinc/64/75/11/942647511.db2.gz PDHIKRQGMGQMTN-KDOFPFPSSA-N 0 0 422.275 4.191 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000555788048 942733565 /nfs/dbraw/zinc/73/35/65/942733565.db2.gz LAKYEDHNFONVCA-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000555884868 942765502 /nfs/dbraw/zinc/76/55/02/942765502.db2.gz JMXZCEYCSPXCLT-NSHDSACASA-N 0 0 407.264 4.122 20 5 HIBDRN Cc1ccc(C(=O)c2ccsc2NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000556110147 942806487 /nfs/dbraw/zinc/80/64/87/942806487.db2.gz MXWDLJXGONINIW-UHFFFAOYSA-N 0 0 410.407 4.177 20 5 HIBDRN COC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nc1C1CC1 ZINC000556213756 942819752 /nfs/dbraw/zinc/81/97/52/942819752.db2.gz HRIOGJCIDWXCDC-UHFFFAOYSA-N 0 0 403.460 4.265 20 5 HIBDRN O=C(Nc1ccc(Oc2cccnc2)nc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000556289237 942833636 /nfs/dbraw/zinc/83/36/36/942833636.db2.gz ZHJQYAFJURQKHR-UHFFFAOYSA-N 0 0 404.304 4.448 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000556296375 942835317 /nfs/dbraw/zinc/83/53/17/942835317.db2.gz CYKGGIWLDORHNU-GFCCVEGCSA-N 0 0 414.805 4.237 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cs1 ZINC000556370679 942850422 /nfs/dbraw/zinc/85/04/22/942850422.db2.gz OZAUUJSLAHPBTN-JTQLQIEISA-N 0 0 417.409 4.440 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2cc(Br)c3ccccc3c2)no1 ZINC000556381150 942853061 /nfs/dbraw/zinc/85/30/61/942853061.db2.gz XYDBZROHCYOVQY-UHFFFAOYSA-N 0 0 414.219 4.114 20 5 HIBDRN CN(C)c1cccc(CCC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1 ZINC000556399052 942857202 /nfs/dbraw/zinc/85/72/02/942857202.db2.gz LKMNMBBPQQFLNX-UHFFFAOYSA-N 0 0 409.408 4.185 20 5 HIBDRN Cc1nc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cs1 ZINC000556450057 942870749 /nfs/dbraw/zinc/87/07/49/942870749.db2.gz FLTUPGMXPRLTTD-OAHLLOKOSA-N 0 0 410.293 4.408 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc2nnc(C(C)C)n2c1 ZINC000556452215 942871370 /nfs/dbraw/zinc/87/13/70/942871370.db2.gz COTFAUSQDZDIGU-UHFFFAOYSA-N 0 0 418.251 4.084 20 5 HIBDRN CCOC(=O)c1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(F)cc1C ZINC000556475656 942879501 /nfs/dbraw/zinc/87/95/01/942879501.db2.gz CLOBREYWCWXXHZ-UHFFFAOYSA-N 0 0 401.394 4.046 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C2(Cc3cccc(F)c3)CCOCC2)cc1[N+](=O)[O-] ZINC000556536917 942893562 /nfs/dbraw/zinc/89/35/62/942893562.db2.gz GVPAISYSZIBJSM-MRXNPFEDSA-N 0 0 400.450 4.259 20 5 HIBDRN CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Oc1cccc(F)c1 ZINC000556571028 942901764 /nfs/dbraw/zinc/90/17/64/942901764.db2.gz OLVPIAQQZPOSGW-CYBMUJFWSA-N 0 0 400.328 4.340 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cnc(C3CCCCC3)s2)CC1 ZINC000556814120 942935093 /nfs/dbraw/zinc/93/50/93/942935093.db2.gz NQHDKWLOCCUWQD-UHFFFAOYSA-N 0 0 420.560 4.119 20 5 HIBDRN C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000556872506 942945803 /nfs/dbraw/zinc/94/58/03/942945803.db2.gz PAVXNPVJGVIXMF-IFXJQAMLSA-N 0 0 400.866 4.128 20 5 HIBDRN Cc1cc(F)ccc1N1CCC[C@@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556886594 942951227 /nfs/dbraw/zinc/95/12/27/942951227.db2.gz WZZPAERILZCAHZ-DENIHFKCSA-N 0 0 423.492 4.124 20 5 HIBDRN Cn1ccnc1[C@H](N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000556887747 942951802 /nfs/dbraw/zinc/95/18/02/942951802.db2.gz FLUJZMYBEIDRDA-UYAOXDASSA-N 0 0 410.449 4.449 20 5 HIBDRN Cc1cccc(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1Br ZINC000556889220 942951851 /nfs/dbraw/zinc/95/18/51/942951851.db2.gz AKZINJVDCLDVGB-SFHVURJKSA-N 0 0 415.291 4.278 20 5 HIBDRN Cn1ccnc1[C@@H](Nc1cnn(-c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000556890581 942953465 /nfs/dbraw/zinc/95/34/65/942953465.db2.gz SBNDJIXCGJTUMC-IBGZPJMESA-N 0 0 408.849 4.369 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC[C@@H]3C3CC3)o2)c(Br)c1 ZINC000556895062 942955626 /nfs/dbraw/zinc/95/56/26/942955626.db2.gz IHCFBBZPZLTVBR-QGZVFWFLSA-N 0 0 407.264 4.228 20 5 HIBDRN C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ncc(Br)cn1 ZINC000556908914 942960893 /nfs/dbraw/zinc/96/08/93/942960893.db2.gz ZWZFNKVEEPPGAK-LLVKDONJSA-N 0 0 403.236 4.258 20 5 HIBDRN C[C@H](C(=O)NCc1cc(F)c(F)cc1Br)c1ccc([N+](=O)[O-])cc1F ZINC000557138751 943028021 /nfs/dbraw/zinc/02/80/21/943028021.db2.gz AOOXMHHEUSCFBL-QMMMGPOBSA-N 0 0 417.181 4.195 20 5 HIBDRN COc1ccc(CC(=O)N(Cc2cccs2)C2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000557156582 943034061 /nfs/dbraw/zinc/03/40/61/943034061.db2.gz FSZRHAYOFOKDGE-UHFFFAOYSA-N 0 0 422.506 4.404 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1(c2ccc(F)cc2)CCOCC1 ZINC000557156264 943034166 /nfs/dbraw/zinc/03/41/66/943034166.db2.gz CZIJARHXABUPFT-UHFFFAOYSA-N 0 0 423.238 4.183 20 5 HIBDRN O=C(NCCc1cc(C(F)(F)F)ccn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000557183260 943043327 /nfs/dbraw/zinc/04/33/27/943043327.db2.gz BVBABUCHCTWWGG-UHFFFAOYSA-N 0 0 422.388 4.105 20 5 HIBDRN O=C(NCc1cnc2n1CCCC2)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000557189810 943045680 /nfs/dbraw/zinc/04/56/80/943045680.db2.gz OGUDTLKSOFUCTP-UHFFFAOYSA-N 0 0 414.531 4.340 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3ccc(Br)cc3)c2)n1 ZINC000557362047 943087116 /nfs/dbraw/zinc/08/71/16/943087116.db2.gz UHXMRHVFULAHCA-UHFFFAOYSA-N 0 0 415.247 4.493 20 5 HIBDRN CC1(C)CC(=O)c2cc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])ccc2O1 ZINC000557398372 943103119 /nfs/dbraw/zinc/10/31/19/943103119.db2.gz WRUQQOCOJZXHGE-UHFFFAOYSA-N 0 0 419.231 4.353 20 5 HIBDRN CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000557423920 943116638 /nfs/dbraw/zinc/11/66/38/943116638.db2.gz GRPQFSOVWFYIMN-QWHCGFSZSA-N 0 0 416.865 4.263 20 5 HIBDRN CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000557423921 943117094 /nfs/dbraw/zinc/11/70/94/943117094.db2.gz GRPQFSOVWFYIMN-STQMWFEESA-N 0 0 416.865 4.263 20 5 HIBDRN C[C@@H](C(=O)NC[C@@H](NCc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000557460010 943140216 /nfs/dbraw/zinc/14/02/16/943140216.db2.gz SBGPNTBAZHVEJX-FOIQADDNSA-N 0 0 411.433 4.078 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 ZINC000557479992 943156213 /nfs/dbraw/zinc/15/62/13/943156213.db2.gz JGQNBRCCASDCKT-UHFFFAOYSA-N 0 0 415.449 4.287 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000557482844 943159225 /nfs/dbraw/zinc/15/92/25/943159225.db2.gz AJZZAUDFPWHMIK-UHFFFAOYSA-N 0 0 424.407 4.012 20 5 HIBDRN CCN(C(=O)Cc1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1)c1ccccc1 ZINC000557516785 943183742 /nfs/dbraw/zinc/18/37/42/943183742.db2.gz PNMFUSURKFBTKQ-UHFFFAOYSA-N 0 0 424.460 4.327 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000557627823 943238134 /nfs/dbraw/zinc/23/81/34/943238134.db2.gz MVCFMNWSRBTZIF-KRWDZBQOSA-N 0 0 420.453 4.407 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC([C@@H](F)c3ccccc3F)CC2)s1 ZINC000557681356 943257659 /nfs/dbraw/zinc/25/76/59/943257659.db2.gz FVXYZNLUFBOZIE-MRXNPFEDSA-N 0 0 416.471 4.126 20 5 HIBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000557696901 943262281 /nfs/dbraw/zinc/26/22/81/943262281.db2.gz XTMPVIDRNXHUMU-RFPDKSMJSA-N 0 0 407.470 4.015 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cc1 ZINC000557743252 943277031 /nfs/dbraw/zinc/27/70/31/943277031.db2.gz RVLNZIFUZSNEDX-OAHLLOKOSA-N 0 0 411.483 4.624 20 5 HIBDRN O=C(Nc1cc2n(n1)CCCC2)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000557745507 943277339 /nfs/dbraw/zinc/27/73/39/943277339.db2.gz RQNKFBGPKZWESD-UHFFFAOYSA-N 0 0 400.504 4.662 20 5 HIBDRN CCOC(=O)C(C)(C)c1csc(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000557977808 943345247 /nfs/dbraw/zinc/34/52/47/943345247.db2.gz AUIQVJCJMRXHBP-AWEZNQCLSA-N 0 0 419.503 4.099 20 5 HIBDRN O=[N+]([O-])c1cccc(N(CCC(F)(F)F)S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000557986192 943347327 /nfs/dbraw/zinc/34/73/27/943347327.db2.gz UTNFBXDXWBZABK-UHFFFAOYSA-N 0 0 410.320 4.021 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCn3c(cc4ccccc43)C2)cc1OC ZINC000558016224 943356297 /nfs/dbraw/zinc/35/62/97/943356297.db2.gz QRCKSNMPBKIKQZ-UHFFFAOYSA-N 0 0 409.442 4.003 20 5 HIBDRN CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(-c2ccco2)n1-c1ccc(C)cc1 ZINC000558022725 943357764 /nfs/dbraw/zinc/35/77/64/943357764.db2.gz QPCXQGYSSLRVQO-UHFFFAOYSA-N 0 0 410.459 4.420 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1OCCc2sccc21 ZINC000558078995 943373416 /nfs/dbraw/zinc/37/34/16/943373416.db2.gz QYVBCIMBTXJGFX-PSLIRLAXSA-N 0 0 400.378 4.107 20 5 HIBDRN O=C(c1nc2ccccc2cc1Br)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000558112106 943382994 /nfs/dbraw/zinc/38/29/94/943382994.db2.gz VVTSPNCRAJXWFJ-UHFFFAOYSA-N 0 0 412.243 4.499 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000558283587 943482288 /nfs/dbraw/zinc/48/22/88/943482288.db2.gz URUIPODSWKKSJS-CYBMUJFWSA-N 0 0 422.388 4.214 20 5 HIBDRN CC(C)[C@H]1NC(=O)N(Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1=O ZINC000558284380 943482916 /nfs/dbraw/zinc/48/29/16/943482916.db2.gz FGKIPWBIWKQBQW-QGZVFWFLSA-N 0 0 421.812 4.256 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2c2nc([C@@H]3CCCCS3)no2)ccc1[N+](=O)[O-] ZINC000558360406 943524292 /nfs/dbraw/zinc/52/42/92/943524292.db2.gz IYDSOAAGEMGNPV-HOTGVXAUSA-N 0 0 402.476 4.222 20 5 HIBDRN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000558408736 943551980 /nfs/dbraw/zinc/55/19/80/943551980.db2.gz INKLBRMHYSYRLH-ZDUSSCGKSA-N 0 0 421.375 4.105 20 5 HIBDRN Cc1ccc(NCCCNC(=O)N2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000558491475 943574728 /nfs/dbraw/zinc/57/47/28/943574728.db2.gz CKMFVNATZRBFAW-MRXNPFEDSA-N 0 0 400.454 4.043 20 5 HIBDRN O=[N+]([O-])c1cccc(/C=C/c2nc(-c3cn4ccc(Br)cc4n3)no2)c1 ZINC000558518805 943586340 /nfs/dbraw/zinc/58/63/40/943586340.db2.gz KLIQCKCLRPMFGJ-SNAWJCMRSA-N 0 0 412.203 4.225 20 5 HIBDRN CCc1nnc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)s1 ZINC000558559841 943598267 /nfs/dbraw/zinc/59/82/67/943598267.db2.gz OCYRDXDSMMLCQM-UHFFFAOYSA-N 0 0 400.485 4.090 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(OC)cc2OC)CC2CC2)c1 ZINC000558793330 943665248 /nfs/dbraw/zinc/66/52/48/943665248.db2.gz FLGNKGGNABRNQI-UHFFFAOYSA-N 0 0 414.458 4.063 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@](F)(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000558816006 943676396 /nfs/dbraw/zinc/67/63/96/943676396.db2.gz MMRKDBUGWDBHNN-HXUWFJFHSA-N 0 0 422.453 4.073 20 5 HIBDRN CN(CCC1CCOCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 ZINC000558933018 943755468 /nfs/dbraw/zinc/75/54/68/943755468.db2.gz BGYKUTRLTVWECA-UHFFFAOYSA-N 0 0 421.501 4.155 20 5 HIBDRN C[C@H]1CCCN(C(=O)C2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)C1 ZINC000559049837 943815633 /nfs/dbraw/zinc/81/56/33/943815633.db2.gz ZWCZYHLGQBQHMF-AWEZNQCLSA-N 0 0 413.440 4.084 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C(C)C)C1 ZINC000559057165 943817576 /nfs/dbraw/zinc/81/75/76/943817576.db2.gz FXTVSNYEZCVBKU-SFHVURJKSA-N 0 0 401.511 4.152 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N[C@H]3CCO[C@@H]3c3cccnc3)c([N+](=O)[O-])c2)cc1 ZINC000559153253 943854445 /nfs/dbraw/zinc/85/44/45/943854445.db2.gz LOLPSROJCPJGHM-RBBKRZOGSA-N 0 0 418.453 4.493 20 5 HIBDRN Cc1nc2ccccn2c(=O)c1CCSc1ccc(Br)cc1[N+](=O)[O-] ZINC000559192465 943867290 /nfs/dbraw/zinc/86/72/90/943867290.db2.gz PFVQQKVIIILEBA-UHFFFAOYSA-N 0 0 420.288 4.008 20 5 HIBDRN O=C(c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1)N1CCC(O)CC1 ZINC000559231737 943881927 /nfs/dbraw/zinc/88/19/27/943881927.db2.gz DNNLNLSNLBXQIX-UHFFFAOYSA-N 0 0 421.453 4.064 20 5 HIBDRN O=C(CCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)Nc1ccc(Br)cc1 ZINC000559293396 943891132 /nfs/dbraw/zinc/89/11/32/943891132.db2.gz AEVUABQBSRYLHW-UHFFFAOYSA-N 0 0 415.247 4.250 20 5 HIBDRN Cc1cc(OCC(=O)NCc2cccc(COCc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000559346815 943902948 /nfs/dbraw/zinc/90/29/48/943902948.db2.gz VUCYUMGRYIUDNU-UHFFFAOYSA-N 0 0 420.465 4.315 20 5 HIBDRN C[C@H](C(=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000559357031 943908767 /nfs/dbraw/zinc/90/87/67/943908767.db2.gz YMVOKHMSQVJSHB-HRAATJIYSA-N 0 0 403.438 4.195 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000559561971 944004885 /nfs/dbraw/zinc/00/48/85/944004885.db2.gz GRLUURACYPQDCB-QGZVFWFLSA-N 0 0 423.238 4.019 20 5 HIBDRN CC(=O)c1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000559616672 944017381 /nfs/dbraw/zinc/01/73/81/944017381.db2.gz YZKRXRCHTMYKRB-KRWDZBQOSA-N 0 0 419.384 4.006 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000559643118 944023352 /nfs/dbraw/zinc/02/33/52/944023352.db2.gz XTXUFXHEATZXRW-ALKREAHSSA-N 0 0 424.497 4.267 20 5 HIBDRN Cc1ccn2cc(-c3ccc(NC(=O)c4n[nH]c5ccc([N+](=O)[O-])cc54)cc3)nc2c1 ZINC000559933788 944089997 /nfs/dbraw/zinc/08/99/97/944089997.db2.gz NDXWNTRVUOJFEZ-UHFFFAOYSA-N 0 0 412.409 4.347 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000559938670 944093038 /nfs/dbraw/zinc/09/30/38/944093038.db2.gz ABTCMMSQGIUCNK-UHFFFAOYSA-N 0 0 414.477 4.212 20 5 HIBDRN Cc1ccc(NC(=O)Cc2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)c(C)c1 ZINC000559976211 944107073 /nfs/dbraw/zinc/10/70/73/944107073.db2.gz KNTHQZXDXXGQRI-UHFFFAOYSA-N 0 0 420.347 4.462 20 5 HIBDRN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000560000768 944123761 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ZINC000560822951 944346261 /nfs/dbraw/zinc/34/62/61/944346261.db2.gz JMYQJHAGXVRYOE-UHFFFAOYSA-N 0 0 400.504 4.214 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000560842706 944354442 /nfs/dbraw/zinc/35/44/42/944354442.db2.gz CLCUPUAOIKUPTQ-AWEZNQCLSA-N 0 0 404.488 4.003 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2noc(C(C)C)n2)CC1 ZINC000560932126 944372203 /nfs/dbraw/zinc/37/22/03/944372203.db2.gz XMSHWXXKBPJDMX-MRXNPFEDSA-N 0 0 400.479 4.076 20 5 HIBDRN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1c2ccc(Br)cc2[C@@H]2CCCC[C@@H]21 ZINC000561021818 944399663 /nfs/dbraw/zinc/39/96/63/944399663.db2.gz FBFYRTFSPPAILO-JSGCOSHPSA-N 0 0 418.247 4.145 20 5 HIBDRN Cn1c(Cc2cccs2)nc2cc(C(=O)NCc3ccccc3[N+](=O)[O-])ccc21 ZINC000561049241 944415339 /nfs/dbraw/zinc/41/53/39/944415339.db2.gz XZOFRLWBOUVYLM-UHFFFAOYSA-N 0 0 406.467 4.064 20 5 HIBDRN COC(=O)c1ccccc1CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000561109975 944458317 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ZINC000561817373 944810787 /nfs/dbraw/zinc/81/07/87/944810787.db2.gz VMRYCRKYPLGXLA-UHFFFAOYSA-N 0 0 406.280 4.208 20 5 HIBDRN O=C(Nc1cccc(F)c1Cl)c1ccc([N+](=O)[O-])cc1I ZINC000561850406 944820994 /nfs/dbraw/zinc/82/09/94/944820994.db2.gz HMFKMQRBEUIQAP-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000562025453 944899879 /nfs/dbraw/zinc/89/98/79/944899879.db2.gz VMUVOAKIOLVUPR-LLVKDONJSA-N 0 0 404.858 4.106 20 5 HIBDRN CC[C@@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)s1 ZINC000562158628 944987871 /nfs/dbraw/zinc/98/78/71/944987871.db2.gz AZMHDKRBJPGPEY-CQSZACIVSA-N 0 0 421.906 4.068 20 5 HIBDRN O=C(Nc1cccc2[nH]c(=O)oc21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000562226121 945030890 /nfs/dbraw/zinc/03/08/90/945030890.db2.gz YXSRQXOXQKLFDT-UHFFFAOYSA-N 0 0 405.366 4.273 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000562301138 945056134 /nfs/dbraw/zinc/05/61/34/945056134.db2.gz 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O=[N+]([O-])c1cc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)ccc1OC(F)F ZINC000564290568 945500664 /nfs/dbraw/zinc/50/06/64/945500664.db2.gz QVPHUTKJBLXRBF-UHFFFAOYSA-N 0 0 402.235 4.327 20 5 HIBDRN CC[C@](C)(NC(=O)c1ccccc1)c1noc(-c2ccc(SC)c([N+](=O)[O-])c2)n1 ZINC000564290007 945500764 /nfs/dbraw/zinc/50/07/64/945500764.db2.gz IXUDTVHAFYLGCZ-FQEVSTJZSA-N 0 0 412.471 4.422 20 5 HIBDRN C[C@H](Nc1ccccc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000564298164 945503745 /nfs/dbraw/zinc/50/37/45/945503745.db2.gz DWFDWQSWVNRPEI-INIZCTEOSA-N 0 0 418.453 4.136 20 5 HIBDRN NC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Cl)cc1Cl ZINC000564346780 945521093 /nfs/dbraw/zinc/52/10/93/945521093.db2.gz FWTMIMZJQCQHID-UHFFFAOYSA-N 0 0 410.238 4.468 20 5 HIBDRN O=C(c1cccc(F)c1Br)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000564355567 945524771 /nfs/dbraw/zinc/52/47/71/945524771.db2.gz HSYWIRFCKPHUAC-INIZCTEOSA-N 0 0 411.252 4.384 20 5 HIBDRN O=[N+]([O-])c1cccc(OCc2nc(-c3ccc(COCC(F)(F)F)cc3)no2)c1 ZINC000564520354 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ZINC000570616214 947316303 /nfs/dbraw/zinc/31/63/03/947316303.db2.gz FETKADCOQXUKRY-INIZCTEOSA-N 0 0 424.478 4.311 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1ccc(F)cc1F ZINC000570709552 947332202 /nfs/dbraw/zinc/33/22/02/947332202.db2.gz QSZKWTWJJJCMPQ-UHFFFAOYSA-N 0 0 417.334 4.053 20 5 HIBDRN Cc1ccc(NCCCNC(=O)Nc2ccc(-c3nccc(C)n3)cc2)c([N+](=O)[O-])c1 ZINC000570889657 947387022 /nfs/dbraw/zinc/38/70/22/947387022.db2.gz SYHKEFZVFLEOPD-UHFFFAOYSA-N 0 0 420.473 4.292 20 5 HIBDRN O=[N+]([O-])c1cc(I)cc(CNc2ccc([C@@H]3CCOC3)cc2)c1 ZINC000571027819 947444948 /nfs/dbraw/zinc/44/49/48/947444948.db2.gz QTHBZFGPKKRSSO-CQSZACIVSA-N 0 0 424.238 4.315 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cccc(Br)c2Cl)cc1[N+](=O)[O-] ZINC000571094372 947490179 /nfs/dbraw/zinc/49/01/79/947490179.db2.gz MIPVHQBPUYNIDU-UHFFFAOYSA-N 0 0 414.643 4.341 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)cc1[N+](=O)[O-] ZINC000571100893 947497907 /nfs/dbraw/zinc/49/79/07/947497907.db2.gz IZAKSFZNVRUUFK-HRAATJIYSA-N 0 0 409.486 4.358 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000571143696 947526464 /nfs/dbraw/zinc/52/64/64/947526464.db2.gz QZWFNCSDVRQLSD-LBPRGKRZSA-N 0 0 413.455 4.478 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)Oc2ccc(C(C)C)cc2)cc1OC ZINC000571190616 947537496 /nfs/dbraw/zinc/53/74/96/947537496.db2.gz QVSJKLBJEFPYDP-HNNXBMFYSA-N 0 0 416.474 4.323 20 5 HIBDRN CC[C@@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)s1 ZINC000571234702 947557458 /nfs/dbraw/zinc/55/74/58/947557458.db2.gz UPBVHYXPFZKTFE-OAHLLOKOSA-N 0 0 421.906 4.068 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccnc3C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000571323015 947596067 /nfs/dbraw/zinc/59/60/67/947596067.db2.gz DWDVNPMLGLREJQ-GFCCVEGCSA-N 0 0 408.380 4.497 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000571440300 947646001 /nfs/dbraw/zinc/64/60/01/947646001.db2.gz AQHJJFSEGDALMH-UHFFFAOYSA-N 0 0 415.190 4.215 20 5 HIBDRN COc1cc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc(OC)c1C(C)C ZINC000571532143 947691085 /nfs/dbraw/zinc/69/10/85/947691085.db2.gz HYWBRGPFVWTSDO-UHFFFAOYSA-N 0 0 401.463 4.442 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000571779696 947779467 /nfs/dbraw/zinc/77/94/67/947779467.db2.gz DLCDBWXNMFLPMJ-UHFFFAOYSA-N 0 0 404.426 4.198 20 5 HIBDRN COCCc1ccccc1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000571812618 947791828 /nfs/dbraw/zinc/79/18/28/947791828.db2.gz OJVIFMYVUPUYEH-UHFFFAOYSA-N 0 0 412.227 4.000 20 5 HIBDRN Cc1cccc(NC(=O)Cc2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)c1 ZINC000571840095 947801672 /nfs/dbraw/zinc/80/16/72/947801672.db2.gz KPODVIDRKKNIMR-UHFFFAOYSA-N 0 0 410.433 4.221 20 5 HIBDRN COc1ccc(NC(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000571953053 947820498 /nfs/dbraw/zinc/82/04/98/947820498.db2.gz QORYBZVEWLEXBL-SNVBAGLBSA-N 0 0 405.361 4.231 20 5 HIBDRN CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)cc1 ZINC000571963996 947823423 /nfs/dbraw/zinc/82/34/23/947823423.db2.gz KXGGCKVXYSKMHF-CYBMUJFWSA-N 0 0 401.488 4.085 20 5 HIBDRN C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1c(F)cncc1F ZINC000572067771 947838992 /nfs/dbraw/zinc/83/89/92/947838992.db2.gz ONCPWNKFLLKPQA-VIFPVBQESA-N 0 0 415.346 4.124 20 5 HIBDRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000572188275 947858851 /nfs/dbraw/zinc/85/88/51/947858851.db2.gz HRJQZOLGKKOXBP-KRWDZBQOSA-N 0 0 424.501 4.316 20 5 HIBDRN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000572228565 947867879 /nfs/dbraw/zinc/86/78/79/947867879.db2.gz FCLMBHQLESDBGL-KXBFYZLASA-N 0 0 400.479 4.386 20 5 HIBDRN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Oc2cccnc2)cc1 ZINC000572387003 947891650 /nfs/dbraw/zinc/89/16/50/947891650.db2.gz FPSBNHJRHWDFKP-CYBMUJFWSA-N 0 0 407.382 4.002 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(C(C)(C)c3ccc(Br)c(C)c3)n2)n1C ZINC000572686596 947986476 /nfs/dbraw/zinc/98/64/76/947986476.db2.gz SPPAXXJGABWJQG-UHFFFAOYSA-N 0 0 420.267 4.084 20 5 HIBDRN CSc1cccc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)c1[N+](=O)[O-] ZINC000572695977 947989797 /nfs/dbraw/zinc/98/97/97/947989797.db2.gz WJWXNCWUKMWPOV-UHFFFAOYSA-N 0 0 410.499 4.173 20 5 HIBDRN COc1cccc(OC)c1OCc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000572745149 947999519 /nfs/dbraw/zinc/99/95/19/947999519.db2.gz HVBFPAVTWOYOFM-UHFFFAOYSA-N 0 0 417.393 4.039 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000572769562 948005501 /nfs/dbraw/zinc/00/55/01/948005501.db2.gz HIOMDFDUIHJINY-UHFFFAOYSA-N 0 0 417.465 4.440 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000572828282 948020026 /nfs/dbraw/zinc/02/00/26/948020026.db2.gz DYZCREOFJACIFF-IBGZPJMESA-N 0 0 424.501 4.039 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H](c1ccco1)c1ccccc1 ZINC000572928696 948045005 /nfs/dbraw/zinc/04/50/05/948045005.db2.gz FUWNWXOZHRXEQD-OAQYLSRUSA-N 0 0 404.426 4.300 20 5 HIBDRN CCOc1ccc([C@@H](C)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000573034357 948064736 /nfs/dbraw/zinc/06/47/36/948064736.db2.gz RQSIUOOHQHLPDK-MRXNPFEDSA-N 0 0 420.469 4.492 20 5 HIBDRN Cc1ccc(F)c(-c2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 ZINC000573044352 948067998 /nfs/dbraw/zinc/06/79/98/948067998.db2.gz XDSIQXAZKGPMAW-SFHVURJKSA-N 0 0 410.405 4.378 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)cc1[N+](=O)[O-] ZINC000573152049 948093049 /nfs/dbraw/zinc/09/30/49/948093049.db2.gz GIQWSPUBYCXFEG-QGZVFWFLSA-N 0 0 420.263 4.032 20 5 HIBDRN COc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c(C)c1OC ZINC000573395641 948181583 /nfs/dbraw/zinc/18/15/83/948181583.db2.gz UWIMUYYMXBJOKZ-UHFFFAOYSA-N 0 0 412.364 4.125 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000573394363 948182604 /nfs/dbraw/zinc/18/26/04/948182604.db2.gz GGNYDEOADCIPKO-NSHDSACASA-N 0 0 409.343 4.179 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)Nc3nc(C4CC4)c[nH]3)cc2[N+](=O)[O-])n1 ZINC000573517988 948228335 /nfs/dbraw/zinc/22/83/35/948228335.db2.gz VZRYYELAYZHUPK-UHFFFAOYSA-N 0 0 401.473 4.364 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(Cc2cn3ccc(Br)cc3n2)C2CC2)c1 ZINC000573531779 948234584 /nfs/dbraw/zinc/23/45/84/948234584.db2.gz COUNIPKYLTUHDZ-UHFFFAOYSA-N 0 0 401.264 4.170 20 5 HIBDRN Cc1ccccc1[C@H](c1noc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1)C(C)C ZINC000573604415 948248251 /nfs/dbraw/zinc/24/82/51/948248251.db2.gz DOZIFOKDEYWYCK-LJQANCHMSA-N 0 0 404.430 4.322 20 5 HIBDRN C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000573691605 948272255 /nfs/dbraw/zinc/27/22/55/948272255.db2.gz LEUAXRLJYRJRDG-INIZCTEOSA-N 0 0 406.442 4.096 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000573850948 948310163 /nfs/dbraw/zinc/31/01/63/948310163.db2.gz HOTVHFVDKCUBFX-LBPRGKRZSA-N 0 0 423.391 4.034 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3C[C@@H]3C(F)F)c([N+](=O)[O-])c2)c(C)c1 ZINC000573870419 948315697 /nfs/dbraw/zinc/31/56/97/948315697.db2.gz FHOMVTYAQFIUKP-BBRMVZONSA-N 0 0 411.430 4.078 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000573943293 948329763 /nfs/dbraw/zinc/32/97/63/948329763.db2.gz BRFFPCUMWXHLIS-QFIPXVFZSA-N 0 0 422.437 4.140 20 5 HIBDRN C[C@@H](c1nc(-c2ccccc2I)no1)c1cccc([N+](=O)[O-])c1 ZINC000574001247 948345515 /nfs/dbraw/zinc/34/55/15/948345515.db2.gz XRSJYYBOWNVQRL-SNVBAGLBSA-N 0 0 421.194 4.401 20 5 HIBDRN CC(C)Oc1c(Cl)cccc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000574005570 948347598 /nfs/dbraw/zinc/34/75/98/948347598.db2.gz SHOCHKRENKRTAI-UHFFFAOYSA-N 0 0 405.838 4.462 20 5 HIBDRN Nc1ccc(-c2noc(-c3ccnc(Oc4ccc(F)cc4F)c3)n2)cc1[N+](=O)[O-] ZINC000574167619 948377623 /nfs/dbraw/zinc/37/76/23/948377623.db2.gz NKGNPMKDEFDRFX-UHFFFAOYSA-N 0 0 411.324 4.360 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000574319615 948411262 /nfs/dbraw/zinc/41/12/62/948411262.db2.gz JNVWVTJSGSHQTC-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN CC(C)(c1nc(-c2cccc(CN3CCCC3=O)c2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000574331929 948414475 /nfs/dbraw/zinc/41/44/75/948414475.db2.gz MMDCCSAZFPWQBD-UHFFFAOYSA-N 0 0 424.432 4.232 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cn(Cc3ccccc3)nn2)no1 ZINC000574363848 948425077 /nfs/dbraw/zinc/42/50/77/948425077.db2.gz ZWPNJPBXMJPHKK-ZDUSSCGKSA-N 0 0 408.443 4.138 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000574473405 948451131 /nfs/dbraw/zinc/45/11/31/948451131.db2.gz HYGRGDCFCSFBIQ-MFKMUULPSA-N 0 0 400.378 4.277 20 5 HIBDRN COC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000574556465 948470878 /nfs/dbraw/zinc/47/08/78/948470878.db2.gz SRVQVKQZBZQKKH-CQSZACIVSA-N 0 0 413.655 4.128 20 5 HIBDRN C[C@H](C(=O)NCc1ccccc1CN(C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000574689924 948505374 /nfs/dbraw/zinc/50/53/74/948505374.db2.gz AXCIQAAOAQXQBC-KRWDZBQOSA-N 0 0 407.470 4.240 20 5 HIBDRN Cc1cccc(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1Br ZINC000574778165 948523559 /nfs/dbraw/zinc/52/35/59/948523559.db2.gz RZHFVDPWKKWMGI-GOSISDBHSA-N 0 0 415.291 4.278 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC(COc2ccccc2)C1 ZINC000574788336 948525897 /nfs/dbraw/zinc/52/58/97/948525897.db2.gz XXKSSDJIKOVRAB-UHFFFAOYSA-N 0 0 403.307 4.159 20 5 HIBDRN O=[N+]([O-])c1cnn(Cc2nc(C3(c4cc(Cl)ccc4Cl)CCCC3)no2)c1 ZINC000574794747 948528697 /nfs/dbraw/zinc/52/86/97/948528697.db2.gz ZSKLVVWVPKXFAD-UHFFFAOYSA-N 0 0 408.245 4.390 20 5 HIBDRN COc1ccc(Cc2nc(-c3ccc(Br)cc3F)no2)cc1[N+](=O)[O-] ZINC000574833987 948538663 /nfs/dbraw/zinc/53/86/63/948538663.db2.gz WACQVTSAAFDHRI-UHFFFAOYSA-N 0 0 408.183 4.146 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1N1CCOCC1 ZINC000575091610 948589719 /nfs/dbraw/zinc/58/97/19/948589719.db2.gz OKORGNPZKDAUIC-UHFFFAOYSA-N 0 0 420.347 4.167 20 5 HIBDRN CSc1cccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1[N+](=O)[O-] ZINC000575129454 948600792 /nfs/dbraw/zinc/60/07/92/948600792.db2.gz PHWFQSGCIMCRDF-CQSZACIVSA-N 0 0 402.476 4.335 20 5 HIBDRN CC(C)(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(C(F)(F)F)c1 ZINC000575335912 948647915 /nfs/dbraw/zinc/64/79/15/948647915.db2.gz SBUKUHIZZQTTBP-UHFFFAOYSA-N 0 0 418.375 4.464 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000575371491 948661110 /nfs/dbraw/zinc/66/11/10/948661110.db2.gz NHGZTDRPZNXIQQ-SNVBAGLBSA-N 0 0 413.400 4.416 20 5 HIBDRN Cc1cccc([C@H](c2noc(-c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)n2)C(C)C)c1 ZINC000575591207 948682027 /nfs/dbraw/zinc/68/20/27/948682027.db2.gz YDVALRYOPFNBIX-GOSISDBHSA-N 0 0 415.471 4.145 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)n1 ZINC000575776961 948703008 /nfs/dbraw/zinc/70/30/08/948703008.db2.gz HHTXDGCSQFSRPG-SFHVURJKSA-N 0 0 415.446 4.092 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2cccc(F)c2F)CC1 ZINC000575849610 948741694 /nfs/dbraw/zinc/74/16/94/948741694.db2.gz 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423.469 4.026 20 5 HIBDRN COc1ccc2cc([C@H](C)C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000018441874 846326676 /nfs/dbraw/zinc/32/66/76/846326676.db2.gz ZNYIUHPAIXHKHM-LSDHHAIUSA-N 0 0 422.437 4.431 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3cc(Cl)ccc3o2)c([N+](=O)[O-])c1 ZINC000018751604 846341102 /nfs/dbraw/zinc/34/11/02/846341102.db2.gz UYPBEICQMNZDHN-JTQLQIEISA-N 0 0 418.789 4.187 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000018807521 846342684 /nfs/dbraw/zinc/34/26/84/846342684.db2.gz XTKBMXWDEYCRSX-QMMMGPOBSA-N 0 0 401.177 4.225 20 5 HIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000018799251 846343121 /nfs/dbraw/zinc/34/31/21/846343121.db2.gz RDQZZKBMWNJUGW-MRVPVSSYSA-N 0 0 401.177 4.225 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(cc(C)cc3C)s2)cc1OC ZINC000019358065 846364491 /nfs/dbraw/zinc/36/44/91/846364491.db2.gz DGJAQYWCMKVJJW-UHFFFAOYSA-N 0 0 401.444 4.481 20 5 HIBDRN Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000019620152 846370070 /nfs/dbraw/zinc/37/00/70/846370070.db2.gz JNZPGDQPHDYFJV-UHFFFAOYSA-N 0 0 413.817 4.209 20 5 HIBDRN O=C(COC(=O)c1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000020820346 846389400 /nfs/dbraw/zinc/38/94/00/846389400.db2.gz JVJBGVHQJIIODJ-OAQYLSRUSA-N 0 0 424.840 4.311 20 5 HIBDRN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000020915805 846394243 /nfs/dbraw/zinc/39/42/43/846394243.db2.gz CHIFDIVDWGLCTH-NRFANRHFSA-N 0 0 405.410 4.383 20 5 HIBDRN C[C@H](OC(=O)c1cccnc1Sc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021236139 846420116 /nfs/dbraw/zinc/42/01/16/846420116.db2.gz KYUNKXQIGBPAPX-AWEZNQCLSA-N 0 0 423.450 4.325 20 5 HIBDRN CCC[C@@H](CNC(=O)COc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000021249925 846421080 /nfs/dbraw/zinc/42/10/80/846421080.db2.gz SYYWRPLCRWSBKM-LBPRGKRZSA-N 0 0 412.273 4.376 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(Cc2ccco2)Cc2cccs2)cc([N+](=O)[O-])c1 ZINC000021336153 846432024 /nfs/dbraw/zinc/43/20/24/846432024.db2.gz UPJRCKRXLOBDHI-UHFFFAOYSA-N 0 0 414.439 4.269 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000021527532 846457578 /nfs/dbraw/zinc/45/75/78/846457578.db2.gz GABMEUYKAXIARU-SNVBAGLBSA-N 0 0 417.468 4.095 20 5 HIBDRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000021545547 846458973 /nfs/dbraw/zinc/45/89/73/846458973.db2.gz TVIBVMJIDYFKBE-UHFFFAOYSA-N 0 0 414.443 4.083 20 5 HIBDRN CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000021545788 846460284 /nfs/dbraw/zinc/46/02/84/846460284.db2.gz ZJQCWKUJCPTMNC-GFCCVEGCSA-N 0 0 414.443 4.163 20 5 HIBDRN CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc12 ZINC000021561281 846462311 /nfs/dbraw/zinc/46/23/11/846462311.db2.gz PZGAIGQHUIASFD-CQSZACIVSA-N 0 0 410.426 4.368 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1 ZINC000021616225 846471821 /nfs/dbraw/zinc/47/18/21/846471821.db2.gz 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QEUBVVFCBZBFPG-CQSZACIVSA-N 0 0 421.409 4.153 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000022547680 846584809 /nfs/dbraw/zinc/58/48/09/846584809.db2.gz OMAITTXYAGBJDA-QWRGUYRKSA-N 0 0 411.241 4.324 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1c1cccs1 ZINC000022548145 846584850 /nfs/dbraw/zinc/58/48/50/846584850.db2.gz KZMZRBOYZGSAIX-SMDDNHRTSA-N 0 0 408.863 4.219 20 5 HIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000022669610 846599582 /nfs/dbraw/zinc/59/95/82/846599582.db2.gz ZPWBJYDGDPVBBM-QWHCGFSZSA-N 0 0 402.834 4.161 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000022668638 846599732 /nfs/dbraw/zinc/59/97/32/846599732.db2.gz XDGZTHQXHIAZGM-MNOVXSKESA-N 0 0 411.241 4.324 20 5 HIBDRN O=C(COC(=O)COc1ccc2oc3ccccc3c2c1)Nc1ccccc1[N+](=O)[O-] ZINC000022719481 846609781 /nfs/dbraw/zinc/60/97/81/846609781.db2.gz ANQRIQQOOCSDCG-UHFFFAOYSA-N 0 0 420.377 4.055 20 5 HIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1c2ccccc2CC[C@@H]1C ZINC000022795277 846621584 /nfs/dbraw/zinc/62/15/84/846621584.db2.gz NLOSGOVRVMRMNM-QWHCGFSZSA-N 0 0 402.834 4.161 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)COc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000023202615 846668430 /nfs/dbraw/zinc/66/84/30/846668430.db2.gz QYFQBFFCIRRZHF-OAHLLOKOSA-N 0 0 408.410 4.006 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)COc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000023291910 846682238 /nfs/dbraw/zinc/68/22/38/846682238.db2.gz RBROHBUPWOEVMN-HNNXBMFYSA-N 0 0 414.458 4.150 20 5 HIBDRN CCCCn1c(C)c(C)nc1S[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000023362983 846689945 /nfs/dbraw/zinc/68/99/45/846689945.db2.gz MMMGVKPZQGBPET-CQSZACIVSA-N 0 0 406.508 4.336 20 5 HIBDRN CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436370677 861709356 /nfs/dbraw/zinc/70/93/56/861709356.db2.gz ORIAZIBZYDTSNW-NRFANRHFSA-N 0 0 416.452 4.206 20 5 HIBDRN Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)sc1C ZINC000023558189 846721035 /nfs/dbraw/zinc/72/10/35/846721035.db2.gz CWJQSSRALMXUHM-UHFFFAOYSA-N 0 0 413.421 4.254 20 5 HIBDRN Cc1cccc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] ZINC000023695334 846740543 /nfs/dbraw/zinc/74/05/43/846740543.db2.gz ZCDPIKBCENKIKS-OAHLLOKOSA-N 0 0 410.499 4.032 20 5 HIBDRN CN(Cc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000023786574 846750798 /nfs/dbraw/zinc/75/07/98/846750798.db2.gz XVIZAAGDAVRTQZ-UHFFFAOYSA-N 0 0 418.291 4.230 20 5 HIBDRN O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000023787721 846750823 /nfs/dbraw/zinc/75/08/23/846750823.db2.gz POIGZGVSCCABNE-UHFFFAOYSA-N 0 0 407.392 4.186 20 5 HIBDRN Cc1cc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)ccc1[N+](=O)[O-] ZINC000023918813 846758703 /nfs/dbraw/zinc/75/87/03/846758703.db2.gz HKGXQWWTVCTIPR-OAHLLOKOSA-N 0 0 410.499 4.032 20 5 HIBDRN CN(C(=O)COc1ccc([N+](=O)[O-])cc1C=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000023962506 846764134 /nfs/dbraw/zinc/76/41/34/846764134.db2.gz NSSFEWBZLIOHIV-QHCPKHFHSA-N 0 0 422.412 4.173 20 5 HIBDRN COc1ccc2nc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)sc2c1 ZINC000023994927 846769710 /nfs/dbraw/zinc/76/97/10/846769710.db2.gz CMYFAVGSUZPHMR-UHFFFAOYSA-N 0 0 412.471 4.068 20 5 HIBDRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000024040437 846779299 /nfs/dbraw/zinc/77/92/99/846779299.db2.gz LSTAYXAZIIBCIZ-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000024080244 846785612 /nfs/dbraw/zinc/78/56/12/846785612.db2.gz QQQNJSJOQHUXBE-GFCCVEGCSA-N 0 0 422.890 4.207 20 5 HIBDRN O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000024083719 846786928 /nfs/dbraw/zinc/78/69/28/846786928.db2.gz JVEMVAYRYTWFIV-UHFFFAOYSA-N 0 0 419.441 4.081 20 5 HIBDRN Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000024112523 846792407 /nfs/dbraw/zinc/79/24/07/846792407.db2.gz LELILYZHDMZPNM-HNNXBMFYSA-N 0 0 411.487 4.220 20 5 HIBDRN CC[C@H](NC(=O)COC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000024124301 846793149 /nfs/dbraw/zinc/79/31/49/846793149.db2.gz GUMGJXIZPKLURG-HNNXBMFYSA-N 0 0 422.890 4.151 20 5 HIBDRN O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1 ZINC000024233860 846804807 /nfs/dbraw/zinc/80/48/07/846804807.db2.gz NSDSNNCDEIJQOD-UHFFFAOYSA-N 0 0 415.254 4.176 20 5 HIBDRN Cc1c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000024354297 846816713 /nfs/dbraw/zinc/81/67/13/846816713.db2.gz GDSKZUMPEBADTE-UHFFFAOYSA-N 0 0 420.256 4.063 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1csc2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000024482686 846830246 /nfs/dbraw/zinc/83/02/46/846830246.db2.gz JJEFHIKUJLEFAO-KRWDZBQOSA-N 0 0 416.499 4.348 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000024596754 846843584 /nfs/dbraw/zinc/84/35/84/846843584.db2.gz DBLLWFLUYNZUMA-UHFFFAOYSA-N 0 0 406.423 4.026 20 5 HIBDRN COc1cc(C)c(CN(C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000024743996 846861724 /nfs/dbraw/zinc/86/17/24/846861724.db2.gz PONHIDDIIVRJFP-ZDUSSCGKSA-N 0 0 421.881 4.033 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cccc(-c4cc[nH]n4)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000024886182 846883212 /nfs/dbraw/zinc/88/32/12/846883212.db2.gz AUESJQGYMUOKAP-UHFFFAOYSA-N 0 0 416.441 4.099 20 5 HIBDRN CSc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000024998040 846901677 /nfs/dbraw/zinc/90/16/77/846901677.db2.gz KURSKGMOXLYDSP-STQMWFEESA-N 0 0 420.512 4.368 20 5 HIBDRN COc1ccc(C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1Br ZINC000025029766 846907955 /nfs/dbraw/zinc/90/79/55/846907955.db2.gz NBHDYMMHMVTCPO-UHFFFAOYSA-N 0 0 400.612 4.281 20 5 HIBDRN CC[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)Nc1ccc(OC)cc1 ZINC000025033644 846908588 /nfs/dbraw/zinc/90/85/88/846908588.db2.gz OUGOOAFFOKYBTR-MRXNPFEDSA-N 0 0 414.439 4.392 20 5 HIBDRN O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N[C@@H](c1ccccc1)C1CC1 ZINC000025374618 846970102 /nfs/dbraw/zinc/97/01/02/846970102.db2.gz ZDZZBORMOPUANY-FQEVSTJZSA-N 0 0 410.451 4.234 20 5 HIBDRN C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)N1CCc2sccc2C1 ZINC000025374408 846970193 /nfs/dbraw/zinc/97/01/93/846970193.db2.gz WEWYSGIZYHJPEK-LLVKDONJSA-N 0 0 416.480 4.001 20 5 HIBDRN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000025371934 846970485 /nfs/dbraw/zinc/97/04/85/846970485.db2.gz DTILENOOTHLLPC-UHFFFAOYSA-N 0 0 412.467 4.307 20 5 HIBDRN CCOc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000025387334 846971355 /nfs/dbraw/zinc/97/13/55/846971355.db2.gz SJCADPJIPAGCKR-STQMWFEESA-N 0 0 420.849 4.070 20 5 HIBDRN CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000025387046 846971779 /nfs/dbraw/zinc/97/17/79/846971779.db2.gz SVBURTNVLLJSCK-GFCCVEGCSA-N 0 0 406.822 4.139 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)c2cc(C)sc2C)c([N+](=O)[O-])c1 ZINC000025497839 846987861 /nfs/dbraw/zinc/98/78/61/846987861.db2.gz MDSFRDIBCBSCBQ-ZDUSSCGKSA-N 0 0 411.549 4.477 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC2)c(C)c1 ZINC000025576946 847003693 /nfs/dbraw/zinc/00/36/93/847003693.db2.gz WOWLLVLLTAFNIO-UHFFFAOYSA-N 0 0 421.497 4.203 20 5 HIBDRN C[C@@H](OCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000025968161 847065031 /nfs/dbraw/zinc/06/50/31/847065031.db2.gz ZHQVFZVOXLFWOT-GOSISDBHSA-N 0 0 411.502 4.095 20 5 HIBDRN Cc1ccsc1CNC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000026001435 847070384 /nfs/dbraw/zinc/07/03/84/847070384.db2.gz CSUUAOZJLFQPQN-UHFFFAOYSA-N 0 0 423.494 4.192 20 5 HIBDRN COCc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000026031810 847073929 /nfs/dbraw/zinc/07/39/29/847073929.db2.gz FCTMHHSNYQOOSP-UHFFFAOYSA-N 0 0 400.378 4.491 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c3ncccc23)cc1OC ZINC000026089544 847081103 /nfs/dbraw/zinc/08/11/03/847081103.db2.gz UQKGYQBSVJCLKB-UHFFFAOYSA-N 0 0 401.806 4.456 20 5 HIBDRN O=C(COC(=O)c1cc2ccc(F)cc2s1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000026221730 847106361 /nfs/dbraw/zinc/10/63/61/847106361.db2.gz IDOFDTXILHZIBB-UHFFFAOYSA-N 0 0 408.794 4.398 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1F ZINC000026346346 847129316 /nfs/dbraw/zinc/12/93/16/847129316.db2.gz KXDOFMWZMQCLQT-UHFFFAOYSA-N 0 0 415.421 4.009 20 5 HIBDRN Cc1ccccc1-c1nnc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1C ZINC000026371590 847136323 /nfs/dbraw/zinc/13/63/23/847136323.db2.gz GQIDWYVCNZNWMM-UHFFFAOYSA-N 0 0 411.487 4.128 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(-c2ccc(C)cc2)o1 ZINC000026371603 847136488 /nfs/dbraw/zinc/13/64/88/847136488.db2.gz PTIKYRPHQBTAIC-UHFFFAOYSA-N 0 0 414.443 4.083 20 5 HIBDRN CCOc1cc(CN(C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000026454537 847153783 /nfs/dbraw/zinc/15/37/83/847153783.db2.gz OUNFRPRJWYDAON-CYBMUJFWSA-N 0 0 423.416 4.054 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nnc(-c2cccs2)o1 ZINC000026494446 847159099 /nfs/dbraw/zinc/15/90/99/847159099.db2.gz YZZNJOWMCRKIFV-QMMMGPOBSA-N 0 0 424.232 4.387 20 5 HIBDRN Cc1c2cc(Cl)ccc2oc1C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026624268 847177712 /nfs/dbraw/zinc/17/77/12/847177712.db2.gz PEULULBBIBACEG-UHFFFAOYSA-N 0 0 414.801 4.049 20 5 HIBDRN Cc1ccc(C(=O)C2CCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000026640518 847178726 /nfs/dbraw/zinc/17/87/26/847178726.db2.gz DEXBXFSCRJCMRU-KRWDZBQOSA-N 0 0 409.486 4.134 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000026727507 847190846 /nfs/dbraw/zinc/19/08/46/847190846.db2.gz BEZWTAKMVBWARL-UHFFFAOYSA-N 0 0 408.414 4.271 20 5 HIBDRN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000026808716 847200999 /nfs/dbraw/zinc/20/09/99/847200999.db2.gz VWOVRXJQNDHEOS-AWEZNQCLSA-N 0 0 416.861 4.232 20 5 HIBDRN COc1ccc(-c2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)ccc2OC(F)F)cc1 ZINC000027012764 847234506 /nfs/dbraw/zinc/23/45/06/847234506.db2.gz LFORTQHEEKTIJJ-UHFFFAOYSA-N 0 0 417.368 4.463 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc(C2CC2)no1 ZINC000436414062 861768155 /nfs/dbraw/zinc/76/81/55/861768155.db2.gz PVRWMTNGSGDNSZ-LJQANCHMSA-N 0 0 402.454 4.069 20 5 HIBDRN CCOc1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1F ZINC000436424215 861781507 /nfs/dbraw/zinc/78/15/07/861781507.db2.gz YJZBACFXXXYTPH-UHFFFAOYSA-N 0 0 408.404 4.288 20 5 HIBDRN COc1c(Br)cc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000027828396 847355263 /nfs/dbraw/zinc/35/52/63/847355263.db2.gz MXZXTALYPOFWJT-UHFFFAOYSA-N 0 0 415.627 4.037 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cccs3)cs2)cc1OC ZINC000028243456 847398080 /nfs/dbraw/zinc/39/80/80/847398080.db2.gz JWJBJOCQIXWVLO-UHFFFAOYSA-N 0 0 405.457 4.439 20 5 HIBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000028383618 847413910 /nfs/dbraw/zinc/41/39/10/847413910.db2.gz NXTWVMHYBYJYKB-CYBMUJFWSA-N 0 0 423.450 4.308 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000028400821 847415520 /nfs/dbraw/zinc/41/55/20/847415520.db2.gz OKDPAAOOIPRTTM-HNNXBMFYSA-N 0 0 416.499 4.299 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000028411670 847418001 /nfs/dbraw/zinc/41/80/01/847418001.db2.gz JAHFSEPPRGRBAF-LBPRGKRZSA-N 0 0 410.348 4.035 20 5 HIBDRN O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000028606020 847434841 /nfs/dbraw/zinc/43/48/41/847434841.db2.gz YEORGSSBXYIMPO-UHFFFAOYSA-N 0 0 420.824 4.381 20 5 HIBDRN COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000028659971 847441662 /nfs/dbraw/zinc/44/16/62/847441662.db2.gz XGULJJAGQZCXTM-NRFANRHFSA-N 0 0 405.410 4.076 20 5 HIBDRN COc1ccc(OCC(=O)N(C)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000028856129 847469342 /nfs/dbraw/zinc/46/93/42/847469342.db2.gz JFUYIJYIUGRRCQ-UHFFFAOYSA-N 0 0 406.438 4.230 20 5 HIBDRN COc1ccc([C@H](C)N(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 ZINC000029105882 847507326 /nfs/dbraw/zinc/50/73/26/847507326.db2.gz TXZNAUKAJVXGNC-INIZCTEOSA-N 0 0 422.485 4.298 20 5 HIBDRN COc1cc(C(=O)OCc2nc(C)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000029135984 847511455 /nfs/dbraw/zinc/51/14/55/847511455.db2.gz RBAZUFKGIDXWTD-UHFFFAOYSA-N 0 0 419.777 4.098 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CCO1 ZINC000029153328 847515855 /nfs/dbraw/zinc/51/58/55/847515855.db2.gz MGQHKAPXRPGHQK-OAHLLOKOSA-N 0 0 420.849 4.300 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCc3ccc(Cl)s3)cc2)c(C)c1[N+](=O)[O-] ZINC000029171273 847519662 /nfs/dbraw/zinc/51/96/62/847519662.db2.gz DKHMJFWYDGIVCM-UHFFFAOYSA-N 0 0 404.879 4.101 20 5 HIBDRN CN(Cc1nccn1C(F)F)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000029181741 847521912 /nfs/dbraw/zinc/52/19/12/847521912.db2.gz ZUNNGWQZIGMJEA-UHFFFAOYSA-N 0 0 415.400 4.071 20 5 HIBDRN CCc1ccc(-c2csc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)s1 ZINC000029348684 847549038 /nfs/dbraw/zinc/54/90/38/847549038.db2.gz YFVBLUIWSKXTOH-UHFFFAOYSA-N 0 0 417.468 4.366 20 5 HIBDRN CC[C@@H](Nc1ccc(C(=O)N[C@H](C)C(=O)OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000436442185 861803486 /nfs/dbraw/zinc/80/34/86/861803486.db2.gz NHRFPKBPCKDYRO-MLGOLLRUSA-N 0 0 419.865 4.103 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000029406677 847559365 /nfs/dbraw/zinc/55/93/65/847559365.db2.gz SASIVGIPUIZOOJ-UHFFFAOYSA-N 0 0 417.468 4.018 20 5 HIBDRN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000029434560 847563464 /nfs/dbraw/zinc/56/34/64/847563464.db2.gz IQVFMCQOKTWWGC-UHFFFAOYSA-N 0 0 416.455 4.499 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000029527629 847575298 /nfs/dbraw/zinc/57/52/98/847575298.db2.gz GPBWGSIXRJIINM-UHFFFAOYSA-N 0 0 417.922 4.032 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000436452197 861808718 /nfs/dbraw/zinc/80/87/18/861808718.db2.gz 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CCN(Cc1ccc(OCc2cccs2)c(OC)c1)c1c([N+](=O)[O-])ncn1C ZINC000029853080 847634825 /nfs/dbraw/zinc/63/48/25/847634825.db2.gz HONWTDSCBMOGIU-UHFFFAOYSA-N 0 0 402.476 4.004 20 5 HIBDRN O=C(NCCOc1ccc(F)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000030132944 847682572 /nfs/dbraw/zinc/68/25/72/847682572.db2.gz GBFDRZSATYWOFK-UHFFFAOYSA-N 0 0 409.417 4.155 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000030321307 847702444 /nfs/dbraw/zinc/70/24/44/847702444.db2.gz HJSDWCQKMFZJGO-UHFFFAOYSA-N 0 0 417.512 4.081 20 5 HIBDRN CC(C)Oc1ccc(S(=O)(=O)N(C)Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000030336141 847704182 /nfs/dbraw/zinc/70/41/82/847704182.db2.gz OYGDCTITOZPNRT-UHFFFAOYSA-N 0 0 414.483 4.356 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000030529944 847729133 /nfs/dbraw/zinc/72/91/33/847729133.db2.gz DMMZQERWPVXIQU-UHFFFAOYSA-N 0 0 414.468 4.080 20 5 HIBDRN CC(C)(CO)[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 ZINC000436505547 861829163 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419.359 4.057 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(F)cc3)CCCC2)cc1OC ZINC000048348781 849209914 /nfs/dbraw/zinc/20/99/14/849209914.db2.gz HTVDYGSTLVHNPO-UHFFFAOYSA-N 0 0 416.449 4.383 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl ZINC000048734890 849260646 /nfs/dbraw/zinc/26/06/46/849260646.db2.gz MIZXEFYODDQBMD-QMMMGPOBSA-N 0 0 416.648 4.371 20 5 HIBDRN CNC(=O)c1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 ZINC000049611995 849314335 /nfs/dbraw/zinc/31/43/35/849314335.db2.gz XOLTUFZJWKPGAU-UHFFFAOYSA-N 0 0 419.437 4.019 20 5 HIBDRN CN(CCOc1ccccc1F)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050294992 849368838 /nfs/dbraw/zinc/36/88/38/849368838.db2.gz WWJZNUCADDPJSE-UHFFFAOYSA-N 0 0 401.419 4.008 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000050335122 849373578 /nfs/dbraw/zinc/37/35/78/849373578.db2.gz FBIILVSXZVWXLU-UHFFFAOYSA-N 0 0 410.455 4.110 20 5 HIBDRN 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Cn1c(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1[N+](=O)[O-] ZINC000437023957 862207615 /nfs/dbraw/zinc/20/76/15/862207615.db2.gz UYAMPRMBGINVFW-UHFFFAOYSA-N 0 0 410.377 4.006 20 5 HIBDRN CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000060518299 851130600 /nfs/dbraw/zinc/13/06/00/851130600.db2.gz IUVJGTQKCAVCNW-UHFFFAOYSA-N 0 0 407.879 4.117 20 5 HIBDRN COc1ccc([C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000060558186 851147401 /nfs/dbraw/zinc/14/74/01/851147401.db2.gz CRMOZKPVNZLJOJ-KSFYIVLOSA-N 0 0 405.454 4.310 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000060800755 851215915 /nfs/dbraw/zinc/21/59/15/851215915.db2.gz RODOHUQMLYVNLM-UHFFFAOYSA-N 0 0 415.446 4.002 20 5 HIBDRN O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000060815951 851219711 /nfs/dbraw/zinc/21/97/11/851219711.db2.gz ZTSKWOSLMBUMNU-NRFANRHFSA-N 0 0 401.422 4.301 20 5 HIBDRN CN(Cc1nccn1C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000061071958 851288945 /nfs/dbraw/zinc/28/89/45/851288945.db2.gz HLURJSWVPMPJTR-UHFFFAOYSA-N 0 0 400.822 4.046 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCOC3CCCC3)cc2[N+](=O)[O-])C1 ZINC000061260044 851332257 /nfs/dbraw/zinc/33/22/57/851332257.db2.gz GGXJQUQXURWXSD-CALCHBBNSA-N 0 0 403.523 4.156 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCN(CC(F)F)CC3)cc2[N+](=O)[O-])cc1 ZINC000061601745 851413584 /nfs/dbraw/zinc/41/35/84/851413584.db2.gz NIUHEAXJCLNNTQ-UHFFFAOYSA-N 0 0 421.469 4.077 20 5 HIBDRN Cc1cc(C(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)cc([N+](=O)[O-])c1 ZINC000437051340 862246443 /nfs/dbraw/zinc/24/64/43/862246443.db2.gz QOQSEZASINVLMF-QGZVFWFLSA-N 0 0 414.462 4.117 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000437055679 862250119 /nfs/dbraw/zinc/25/01/19/862250119.db2.gz GLRUFYBKFUHINP-UHFFFAOYSA-N 0 0 412.389 4.230 20 5 HIBDRN CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccc3ccccc32)cc([N+](=O)[O-])c1 ZINC000062284441 851521701 /nfs/dbraw/zinc/52/17/01/851521701.db2.gz LKISOZBTWVPICH-OAQYLSRUSA-N 0 0 424.478 4.129 20 5 HIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000062283132 851522265 /nfs/dbraw/zinc/52/22/65/851522265.db2.gz KJBXDYZRYWQNTE-UHFFFAOYSA-N 0 0 422.485 4.133 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(Cc1ccccc1F)Cc1ccccc1F ZINC000437058171 862253689 /nfs/dbraw/zinc/25/36/89/862253689.db2.gz WHZSWUMQIGLAKH-UHFFFAOYSA-N 0 0 411.408 4.160 20 5 HIBDRN CSc1ccc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl ZINC000437062325 862259830 /nfs/dbraw/zinc/25/98/30/862259830.db2.gz MPZIQLBSHQQVMU-UHFFFAOYSA-N 0 0 419.890 4.100 20 5 HIBDRN O=[N+]([O-])c1ccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c2ncccc12 ZINC000063255563 851642132 /nfs/dbraw/zinc/64/21/32/851642132.db2.gz RHYVTUOPOBKKRV-UHFFFAOYSA-N 0 0 407.426 4.032 20 5 HIBDRN CCOCCOc1c(Cl)cccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000063264231 851645664 /nfs/dbraw/zinc/64/56/64/851645664.db2.gz JKQNYWBIOGPALM-UHFFFAOYSA-N 0 0 403.822 4.397 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ZINC000064113223 851829432 /nfs/dbraw/zinc/82/94/32/851829432.db2.gz GNPBFTZOINPJNK-UHFFFAOYSA-N 0 0 416.437 4.333 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1noc(-c2ccccc2)n1 ZINC000437105166 862293197 /nfs/dbraw/zinc/29/31/97/862293197.db2.gz RIWREEPSXDOHGF-JTQLQIEISA-N 0 0 406.320 4.155 20 5 HIBDRN Cc1[nH]nc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c1[N+](=O)[O-] ZINC000064355025 851877656 /nfs/dbraw/zinc/87/76/56/851877656.db2.gz AWDXFSHWEBEUFV-UHFFFAOYSA-N 0 0 412.258 4.233 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cnn(-c2ccccc2Cl)c1 ZINC000064390370 851885648 /nfs/dbraw/zinc/88/56/48/851885648.db2.gz RZYYTNBKNCVEFK-UHFFFAOYSA-N 0 0 408.748 4.288 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCSc1ccc(F)cc1 ZINC000064419554 851892990 /nfs/dbraw/zinc/89/29/90/851892990.db2.gz SCPFHYIMBBWWHD-GFCCVEGCSA-N 0 0 412.870 4.453 20 5 HIBDRN Cc1nccc(-c2cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2)n1 ZINC000064420746 851893781 /nfs/dbraw/zinc/89/37/81/851893781.db2.gz JURWHRWCWYXRRS-GFCCVEGCSA-N 0 0 412.833 4.420 20 5 HIBDRN CC(C)CNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000064421058 851894024 /nfs/dbraw/zinc/89/40/24/851894024.db2.gz ZMVOSYRUTFRQCW-CYBMUJFWSA-N 0 0 419.865 4.040 20 5 HIBDRN COc1ccc(Br)c(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000437116302 862303102 /nfs/dbraw/zinc/30/31/02/862303102.db2.gz IILNMQZUKWOAKP-UHFFFAOYSA-N 0 0 419.275 4.100 20 5 HIBDRN O=C(COc1ccc(F)cc1Br)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437117837 862303573 /nfs/dbraw/zinc/30/35/73/862303573.db2.gz MIUQVDQPSFIZPH-UHFFFAOYSA-N 0 0 423.238 4.066 20 5 HIBDRN Cn1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064719372 851966252 /nfs/dbraw/zinc/96/62/52/851966252.db2.gz YOCVPKOTOJPVOZ-UHFFFAOYSA-N 0 0 422.485 4.102 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCn1ccc2ccccc21 ZINC000064722153 851967561 /nfs/dbraw/zinc/96/75/61/851967561.db2.gz YYZYFCAYHPRZII-CQSZACIVSA-N 0 0 401.850 4.177 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000437118814 862305898 /nfs/dbraw/zinc/30/58/98/862305898.db2.gz UUCMTHZXMIBUNE-UHFFFAOYSA-N 0 0 401.463 4.143 20 5 HIBDRN Cc1nc(C2(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CCCCCC2)no1 ZINC000064784757 851984494 /nfs/dbraw/zinc/98/44/94/851984494.db2.gz SFVZDMCFMIIOKQ-LBPRGKRZSA-N 0 0 422.869 4.073 20 5 HIBDRN CCCOc1cc(NC(=O)C(=O)Nc2ccccc2C)c([N+](=O)[O-])cc1OCCC ZINC000437120224 862307304 /nfs/dbraw/zinc/30/73/04/862307304.db2.gz SUYKHMQLIHCGDD-UHFFFAOYSA-N 0 0 415.446 4.058 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(C)[C@@H](Cc2ccc(F)cc2)C(C)C)cc([N+](=O)[O-])c1 ZINC000437123618 862310325 /nfs/dbraw/zinc/31/03/25/862310325.db2.gz KRYPLZPIJNGNRI-FQEVSTJZSA-N 0 0 416.449 4.250 20 5 HIBDRN CCc1cc(NCc2ccc(OCCOC)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064914185 852019821 /nfs/dbraw/zinc/01/98/21/852019821.db2.gz AHJRQJYFXREESF-UHFFFAOYSA-N 0 0 408.458 4.252 20 5 HIBDRN COC(=O)c1cc(Cl)ccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 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COc1ccc([C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000065896736 852307395 /nfs/dbraw/zinc/30/73/95/852307395.db2.gz XJCSJGLDPRXAET-HSZRJFAPSA-N 0 0 405.454 4.230 20 5 HIBDRN O=C(Nc1ccc(NC2CCOCC2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437154059 862346656 /nfs/dbraw/zinc/34/66/56/862346656.db2.gz IGZWZWKAIIZOSK-UHFFFAOYSA-N 0 0 409.364 4.457 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000068785684 852370978 /nfs/dbraw/zinc/37/09/78/852370978.db2.gz WKXLTSHXNAVAGW-INIZCTEOSA-N 0 0 417.263 4.361 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1[N+](=O)[O-] ZINC000069040459 852381806 /nfs/dbraw/zinc/38/18/06/852381806.db2.gz ZWVPSAQJEHYIMH-QGZVFWFLSA-N 0 0 405.520 4.359 20 5 HIBDRN CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000071819000 852412699 /nfs/dbraw/zinc/41/26/99/852412699.db2.gz HWFMVAAKBJCYGU-UHFFFAOYSA-N 0 0 423.473 4.314 20 5 HIBDRN COC(=O)c1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1C ZINC000071851340 852418526 /nfs/dbraw/zinc/41/85/26/852418526.db2.gz VXNUKBNRGZDLBS-UHFFFAOYSA-N 0 0 411.458 4.178 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000071929588 852434333 /nfs/dbraw/zinc/43/43/33/852434333.db2.gz AVKDPHZXWAMWCH-LBPRGKRZSA-N 0 0 414.405 4.333 20 5 HIBDRN CNc1ccc(C(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)cc1[N+](=O)[O-] ZINC000071960594 852447566 /nfs/dbraw/zinc/44/75/66/852447566.db2.gz GHRWUZXJCZYDNM-CQSZACIVSA-N 0 0 413.474 4.458 20 5 HIBDRN CNc1ccc(C(=O)NCCc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000071961623 852448542 /nfs/dbraw/zinc/44/85/42/852448542.db2.gz JDJMORRJXKREQB-UHFFFAOYSA-N 0 0 405.454 4.188 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000071971460 852450874 /nfs/dbraw/zinc/45/08/74/852450874.db2.gz FJQXXNITEASGQQ-LLVKDONJSA-N 0 0 412.343 4.003 20 5 HIBDRN COc1ccc(CSCC(=O)N(Cc2ccccc2)CC(F)F)cc1[N+](=O)[O-] ZINC000437163407 862358344 /nfs/dbraw/zinc/35/83/44/862358344.db2.gz 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Cc1[nH]nc(C(=O)Nc2cc(-c3ccccc3C)nn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000072075558 852497278 /nfs/dbraw/zinc/49/72/78/852497278.db2.gz VWEKRRKLGFDNQP-UHFFFAOYSA-N 0 0 416.441 4.099 20 5 HIBDRN COC(=O)c1cc(C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000072088966 852504478 /nfs/dbraw/zinc/50/44/78/852504478.db2.gz YEKLNWAKBSYTNE-UHFFFAOYSA-N 0 0 424.375 4.108 20 5 HIBDRN CC(C)N(C[C@@H](O)COc1cccc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072097502 852508360 /nfs/dbraw/zinc/50/83/60/852508360.db2.gz UOIFEFWCAGJUJG-HXUWFJFHSA-N 0 0 423.469 4.430 20 5 HIBDRN CC[C@@H]1c2ccsc2CCN1C(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000096995564 852571045 /nfs/dbraw/zinc/57/10/45/852571045.db2.gz FLTWOYGNPPEQCK-QGZVFWFLSA-N 0 0 407.923 4.278 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000097437971 852611520 /nfs/dbraw/zinc/61/15/20/852611520.db2.gz YAHPEAZEYVQHIJ-SFHVURJKSA-N 0 0 411.849 4.115 20 5 HIBDRN Cc1c(C(=O)N(CCc2ccccc2)Cc2ccncc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000097544031 852624250 /nfs/dbraw/zinc/62/42/50/852624250.db2.gz ZPYKZVMKPPDPER-UHFFFAOYSA-N 0 0 420.425 4.092 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000104555449 852671100 /nfs/dbraw/zinc/67/11/00/852671100.db2.gz JYZHMPGPXFHDFC-UHFFFAOYSA-N 0 0 402.491 4.175 20 5 HIBDRN CCOC(=O)c1c(C)c2ccccc2nc1COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000104495919 852671598 /nfs/dbraw/zinc/67/15/98/852671598.db2.gz CWGHZXQAAHXLTA-UHFFFAOYSA-N 0 0 408.410 4.294 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000104929706 852683182 /nfs/dbraw/zinc/68/31/82/852683182.db2.gz OVPQYEOOROSILZ-ZBFHGGJFSA-N 0 0 406.529 4.345 20 5 HIBDRN CCCOc1cc(NC(=O)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OCCC ZINC000105309306 852697300 /nfs/dbraw/zinc/69/73/00/852697300.db2.gz GAHBWOLYQBOCOB-UHFFFAOYSA-N 0 0 415.446 4.383 20 5 HIBDRN COc1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 ZINC000105520140 852710759 /nfs/dbraw/zinc/71/07/59/852710759.db2.gz IQCZLNZEBLMWPK-CYBMUJFWSA-N 0 0 413.455 4.441 20 5 HIBDRN COc1cccc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000105532446 852711694 /nfs/dbraw/zinc/71/16/94/852711694.db2.gz MMQMSYUHOIWNLY-QGZVFWFLSA-N 0 0 410.879 4.091 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000105826566 852731276 /nfs/dbraw/zinc/73/12/76/852731276.db2.gz QJTWUPNXFMZTQA-SECBINFHSA-N 0 0 412.204 4.032 20 5 HIBDRN CCC(CC)[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000106179146 852759928 /nfs/dbraw/zinc/75/99/28/852759928.db2.gz ZAUOMGKECVPOHG-HXUWFJFHSA-N 0 0 415.515 4.080 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)cc2)c(C)c1[N+](=O)[O-] ZINC000106235679 852764735 /nfs/dbraw/zinc/76/47/35/852764735.db2.gz XZTMABMFBGUOKH-RVHYNSKXSA-N 0 0 410.518 4.497 20 5 HIBDRN O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000107513854 852773192 /nfs/dbraw/zinc/77/31/92/852773192.db2.gz YDFOONNKPLZBQN-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 ZINC000107549197 852775002 /nfs/dbraw/zinc/77/50/02/852775002.db2.gz WJKCVGBHPCMLLK-UHFFFAOYSA-N 0 0 413.361 4.149 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)COCCOc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000107785793 852796149 /nfs/dbraw/zinc/79/61/49/852796149.db2.gz OHLLGMGCJRPDSL-UHFFFAOYSA-N 0 0 413.455 4.061 20 5 HIBDRN Cc1c(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000107891505 852806746 /nfs/dbraw/zinc/80/67/46/852806746.db2.gz MOLUIMUGGBQGAZ-LJQANCHMSA-N 0 0 411.437 4.140 20 5 HIBDRN Cn1cc(C(=O)Nc2ccc(F)c(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437206215 862395768 /nfs/dbraw/zinc/39/57/68/862395768.db2.gz CNGVPNUXAGWCNX-UHFFFAOYSA-N 0 0 419.210 4.149 20 5 HIBDRN Cc1nc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)cs1 ZINC000107900704 852807881 /nfs/dbraw/zinc/80/78/81/852807881.db2.gz DWPDKFPQNRTTSY-UHFFFAOYSA-N 0 0 401.419 4.111 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000107936301 852810607 /nfs/dbraw/zinc/81/06/07/852810607.db2.gz LJXYXCFUHJTDMU-CQSZACIVSA-N 0 0 414.849 4.457 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000107978038 852814394 /nfs/dbraw/zinc/81/43/94/852814394.db2.gz GXZFNBMOKWIUBX-LBPRGKRZSA-N 0 0 414.405 4.289 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000108155631 852826000 /nfs/dbraw/zinc/82/60/00/852826000.db2.gz AYCQKQTUHBDXHT-UHFFFAOYSA-N 0 0 420.437 4.087 20 5 HIBDRN O=C(c1ccccc1Nc1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000108168114 852827048 /nfs/dbraw/zinc/82/70/48/852827048.db2.gz ZXLJNBBGAIOBNH-UHFFFAOYSA-N 0 0 402.454 4.301 20 5 HIBDRN O=C(c1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000108313928 852838261 /nfs/dbraw/zinc/83/82/61/852838261.db2.gz CBZXIDIEYGPDBX-FQEVSTJZSA-N 0 0 415.877 4.062 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1csc2ccccc12 ZINC000108322742 852839153 /nfs/dbraw/zinc/83/91/53/852839153.db2.gz OTIWVYHMZOTNPC-UHFFFAOYSA-N 0 0 412.423 4.241 20 5 HIBDRN Cc1nc(NC(=O)COc2ccccc2[N+](=O)[O-])sc1Cc1ccccc1F ZINC000108361575 852842922 /nfs/dbraw/zinc/84/29/22/852842922.db2.gz XPZCYPYEROLQEN-UHFFFAOYSA-N 0 0 401.419 4.107 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000108540558 852857717 /nfs/dbraw/zinc/85/77/17/852857717.db2.gz AJWNGONEYAQMPK-FZKQIMNGSA-N 0 0 406.891 4.329 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000108534069 852857817 /nfs/dbraw/zinc/85/78/17/852857817.db2.gz ZQLGRNIOKUBYLZ-UHFFFAOYSA-N 0 0 407.879 4.119 20 5 HIBDRN O=C(NCCOc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000108642288 852868441 /nfs/dbraw/zinc/86/84/41/852868441.db2.gz JLJDRVKOOYZDBL-UHFFFAOYSA-N 0 0 423.391 4.023 20 5 HIBDRN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000109179412 852931219 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854492811 /nfs/dbraw/zinc/49/28/11/854492811.db2.gz CHFIIMXNCOFKDW-LURJTMIESA-N 0 0 415.440 4.098 20 5 HIBDRN CCc1nn(C)c(NCc2ccc(Br)cc2C(F)(F)F)c1[N+](=O)[O-] ZINC000301940486 854499611 /nfs/dbraw/zinc/49/96/11/854499611.db2.gz UMVSCIQJFKFRIY-UHFFFAOYSA-N 0 0 407.190 4.284 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)n1 ZINC000301941512 854500522 /nfs/dbraw/zinc/50/05/22/854500522.db2.gz WWOKCQBRCLDPCJ-CYBMUJFWSA-N 0 0 420.516 4.035 20 5 HIBDRN O=c1c(Cl)c(N[C@H]2CCCc3ccc(F)cc32)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000301953712 854503182 /nfs/dbraw/zinc/50/31/82/854503182.db2.gz IJMQPESLUGSRSJ-KRWDZBQOSA-N 0 0 414.824 4.423 20 5 HIBDRN COc1cc(N2CCO[C@H](c3ccccc3Br)C2)c(F)cc1[N+](=O)[O-] ZINC000301961636 854505728 /nfs/dbraw/zinc/50/57/28/854505728.db2.gz MTLWOCHFXLRCKP-KRWDZBQOSA-N 0 0 411.227 4.083 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1OC(F)F ZINC000301971623 854507438 /nfs/dbraw/zinc/50/74/38/854507438.db2.gz SNBFBEOQASKOIX-HNNXBMFYSA-N 0 0 401.373 4.323 20 5 HIBDRN COc1cc(N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c(F)cc1[N+](=O)[O-] ZINC000301975041 854507941 /nfs/dbraw/zinc/50/79/41/854507941.db2.gz CMDZDEVOUXNMGR-LBPRGKRZSA-N 0 0 407.417 4.016 20 5 HIBDRN O=C(NC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1)Nc1ccccc1 ZINC000301975708 854508048 /nfs/dbraw/zinc/50/80/48/854508048.db2.gz LUUDFXKWYYKIGK-INIZCTEOSA-N 0 0 420.416 4.377 20 5 HIBDRN CC(C)(C)Oc1cc(N2CCC(NC(=O)NC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301982848 854508834 /nfs/dbraw/zinc/50/88/34/854508834.db2.gz JTVDOFJGYWPTNE-UHFFFAOYSA-N 0 0 418.538 4.373 20 5 HIBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000301992701 854511389 /nfs/dbraw/zinc/51/13/89/854511389.db2.gz QQOLSPKZQTYCSY-UHFFFAOYSA-N 0 0 414.849 4.133 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000302003360 854514651 /nfs/dbraw/zinc/51/46/51/854514651.db2.gz XDJBKMUKQNHOCZ-JOCHJYFZSA-N 0 0 402.454 4.109 20 5 HIBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000302020446 854517403 /nfs/dbraw/zinc/51/74/03/854517403.db2.gz FCAAORSIUVFMGJ-MRXNPFEDSA-N 0 0 400.442 4.312 20 5 HIBDRN Cc1nc2c(s1)[C@H](Nc1cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c1Cl)CCC2 ZINC000302032766 854519018 /nfs/dbraw/zinc/51/90/18/854519018.db2.gz NXGARIUHXWPBFG-CQSZACIVSA-N 0 0 417.878 4.049 20 5 HIBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1 ZINC000302033985 854520006 /nfs/dbraw/zinc/52/00/06/854520006.db2.gz DNOITSPDCGBJAR-MRXNPFEDSA-N 0 0 400.328 4.339 20 5 HIBDRN Cc1cc(N2CCC(NC(=O)c3ccccc3C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302048008 854522061 /nfs/dbraw/zinc/52/20/61/854522061.db2.gz YZPQECCIETVUBX-UHFFFAOYSA-N 0 0 404.470 4.159 20 5 HIBDRN COc1cc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC000302050621 854522757 /nfs/dbraw/zinc/52/27/57/854522757.db2.gz NRBBEPOXZDLGHL-KRWDZBQOSA-N 0 0 400.328 4.339 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@H]2c2cc3ccccc3[nH]2)s1 ZINC000302086638 854528601 /nfs/dbraw/zinc/52/86/01/854528601.db2.gz NQTMXTLUGQCMID-HNNXBMFYSA-N 0 0 405.501 4.273 20 5 HIBDRN CC(C)c1ccccc1-n1c(Sc2ncc([N+](=O)[O-])cn2)nnc1-c1cccnc1 ZINC000302137836 854535295 /nfs/dbraw/zinc/53/52/95/854535295.db2.gz CCSFARGJVQCXRA-UHFFFAOYSA-N 0 0 419.470 4.302 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000302176873 854543420 /nfs/dbraw/zinc/54/34/20/854543420.db2.gz CNJGLBAQZRVXFQ-JTQLQIEISA-N 0 0 416.450 4.024 20 5 HIBDRN Cc1cc(N2CCC(c3noc(C4CC4)n3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302187082 854545888 /nfs/dbraw/zinc/54/58/88/854545888.db2.gz VXKZKQDWQKXRGH-UHFFFAOYSA-N 0 0 406.446 4.005 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000302192515 854547044 /nfs/dbraw/zinc/54/70/44/854547044.db2.gz RJTYJHAFGWOTFP-LLVKDONJSA-N 0 0 415.393 4.241 20 5 HIBDRN Cc1ccc([C@@H]2CCN(c3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)C2)cc1 ZINC000302197806 854548232 /nfs/dbraw/zinc/54/82/32/854548232.db2.gz XYZXZARNGAGISU-MRXNPFEDSA-N 0 0 410.861 4.096 20 5 HIBDRN COc1cc(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])ccc1OC(C)C ZINC000302209649 854550837 /nfs/dbraw/zinc/55/08/37/854550837.db2.gz LVMBJLJSZZRSRM-UHFFFAOYSA-N 0 0 410.430 4.099 20 5 HIBDRN O=[N+]([O-])c1ccc(Oc2ccc3nnc(-c4ccccc4F)n3n2)c2cccnc21 ZINC000302231329 854554128 /nfs/dbraw/zinc/55/41/28/854554128.db2.gz CGOHYQYZQPWDPE-UHFFFAOYSA-N 0 0 402.345 4.179 20 5 HIBDRN O=C(c1cc(N2CC=C(c3c(F)cccc3F)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000302233720 854555274 /nfs/dbraw/zinc/55/52/74/854555274.db2.gz DCSFSYHVGDFGRW-UHFFFAOYSA-N 0 0 413.424 4.403 20 5 HIBDRN Cn1cc(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c2ccc(F)cc21 ZINC000302235683 854555492 /nfs/dbraw/zinc/55/54/92/854555492.db2.gz FJRZJGHGKIJGOF-UHFFFAOYSA-N 0 0 410.449 4.116 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1)n1cncn1 ZINC000302239225 854556265 /nfs/dbraw/zinc/55/62/65/854556265.db2.gz MJRUKEYVAYSYSW-SNVBAGLBSA-N 0 0 421.244 4.436 20 5 HIBDRN Cc1nn(C)c(N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)c1[N+](=O)[O-] ZINC000302431194 854570067 /nfs/dbraw/zinc/57/00/67/854570067.db2.gz LDJATFRTFNNHHL-INIZCTEOSA-N 0 0 401.467 4.473 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c(Cl)c1 ZINC000302442615 854571516 /nfs/dbraw/zinc/57/15/16/854571516.db2.gz ROKCMCGRSUERLQ-AWEZNQCLSA-N 0 0 416.634 4.123 20 5 HIBDRN COc1cc(Br)ccc1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000302497903 854576248 /nfs/dbraw/zinc/57/62/48/854576248.db2.gz KQPXLLWGZYQCEK-UHFFFAOYSA-N 0 0 422.279 4.116 20 5 HIBDRN Cc1cc2c(ncnc2Oc2cc([N+](=O)[O-])ccc2I)s1 ZINC000302551782 854584622 /nfs/dbraw/zinc/58/46/22/854584622.db2.gz QLBHZYIPTIPQJY-UHFFFAOYSA-N 0 0 413.196 4.305 20 5 HIBDRN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000302596725 854589591 /nfs/dbraw/zinc/58/95/91/854589591.db2.gz GKVWDAFHDAZOMG-NSHDSACASA-N 0 0 404.879 4.489 20 5 HIBDRN COc1ccc(-c2nc(Sc3ccccc3[N+](=O)[O-])n[nH]2)cc1Br ZINC000302668717 854600851 /nfs/dbraw/zinc/60/08/51/854600851.db2.gz JZAPZUGEZZIDKX-UHFFFAOYSA-N 0 0 407.249 4.302 20 5 HIBDRN Cc1nc(C)c(CNc2nc(NCc3sc(C)nc3C)c([N+](=O)[O-])s2)s1 ZINC000302672728 854601979 /nfs/dbraw/zinc/60/19/79/854601979.db2.gz ONQLOEMVCMHSIR-UHFFFAOYSA-N 0 0 410.550 4.422 20 5 HIBDRN CSc1nnc(CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1C1CCCC1 ZINC000302696575 854606663 /nfs/dbraw/zinc/60/66/63/854606663.db2.gz IDTFOYMIMPGBKR-UHFFFAOYSA-N 0 0 423.926 4.039 20 5 HIBDRN CN(CCOc1cccc(Cl)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000302797909 854636208 /nfs/dbraw/zinc/63/62/08/854636208.db2.gz JYLXEQUYMOCRAM-UHFFFAOYSA-N 0 0 417.893 4.002 20 5 HIBDRN Cc1ccc(CNC(=O)C2CCN(c3c(C)cc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000302832588 854648509 /nfs/dbraw/zinc/64/85/09/854648509.db2.gz ROTPBXPHIOTUFT-UHFFFAOYSA-N 0 0 401.894 4.398 20 5 HIBDRN Cc1nn(C)c2sc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)cc12 ZINC000302924447 854682301 /nfs/dbraw/zinc/68/23/01/854682301.db2.gz AKCUPGQGATUCGW-UHFFFAOYSA-N 0 0 420.450 4.335 20 5 HIBDRN Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000302968702 854701594 /nfs/dbraw/zinc/70/15/94/854701594.db2.gz ASCRJSLPYUTATC-UHFFFAOYSA-N 0 0 418.862 4.150 20 5 HIBDRN O=C(Nc1ccc(I)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000302980078 854707657 /nfs/dbraw/zinc/70/76/57/854707657.db2.gz HOYATHHCEPTPQY-UHFFFAOYSA-N 0 0 417.590 4.497 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000303108619 854764485 /nfs/dbraw/zinc/76/44/85/854764485.db2.gz KGTGEKXBVBZPSF-UHFFFAOYSA-N 0 0 401.850 4.435 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000437333618 862605715 /nfs/dbraw/zinc/60/57/15/862605715.db2.gz RUTAMKWHAIOTLM-VQTJNVASSA-N 0 0 402.881 4.480 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1SC ZINC000303169307 854798222 /nfs/dbraw/zinc/79/82/22/854798222.db2.gz ILVPXHKXPQEGCU-UHFFFAOYSA-N 0 0 402.447 4.394 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(n3ccnc3)CC2)cc1 ZINC000303184443 854806255 /nfs/dbraw/zinc/80/62/55/854806255.db2.gz UEKDIQAJJDAHOT-UHFFFAOYSA-N 0 0 422.441 4.070 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000303285208 854851751 /nfs/dbraw/zinc/85/17/51/854851751.db2.gz JQXPHMPWYPNNFD-CYBMUJFWSA-N 0 0 403.485 4.066 20 5 HIBDRN C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1c(Cl)cccc1Cl ZINC000303368540 854895493 /nfs/dbraw/zinc/89/54/93/854895493.db2.gz JEFZXKJLKPSPEK-NSHDSACASA-N 0 0 420.256 4.016 20 5 HIBDRN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)Sc1ccc(Br)cc1 ZINC000303412085 854915297 /nfs/dbraw/zinc/91/52/97/854915297.db2.gz RKPMOMPAJGMZQE-GFCCVEGCSA-N 0 0 409.305 4.197 20 5 HIBDRN C[C@H](c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1)N1CCOCC1 ZINC000303461010 854961180 /nfs/dbraw/zinc/96/11/80/854961180.db2.gz LNJHSQNDBCTUEX-CYBMUJFWSA-N 0 0 404.854 4.285 20 5 HIBDRN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303488948 854979577 /nfs/dbraw/zinc/97/95/77/854979577.db2.gz PQCAGSHDRDJGRT-JTQLQIEISA-N 0 0 402.756 4.464 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000303596001 855068081 /nfs/dbraw/zinc/06/80/81/855068081.db2.gz PNTLSOFWOHVDNF-UHFFFAOYSA-N 0 0 403.398 4.079 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000303617176 855079874 /nfs/dbraw/zinc/07/98/74/855079874.db2.gz PDHPCIMNDSCETB-UHFFFAOYSA-N 0 0 404.728 4.207 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000303646466 855102544 /nfs/dbraw/zinc/10/25/44/855102544.db2.gz SUCQHUMDVDDDGL-UHFFFAOYSA-N 0 0 402.300 4.326 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c1C ZINC000303676829 855126453 /nfs/dbraw/zinc/12/64/53/855126453.db2.gz JBKPUEJVHNKQIX-MHZLTWQESA-N 0 0 424.544 4.060 20 5 HIBDRN Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303685582 855131317 /nfs/dbraw/zinc/13/13/17/855131317.db2.gz KHGIGQWRNBEBIV-CYBMUJFWSA-N 0 0 400.822 4.024 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)[C@H](C)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000303762947 855181397 /nfs/dbraw/zinc/18/13/97/855181397.db2.gz OXAGEVSFOKLFJE-MRXNPFEDSA-N 0 0 402.516 4.235 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000303785179 855197064 /nfs/dbraw/zinc/19/70/64/855197064.db2.gz PDBZIJFQUVVDCO-UHFFFAOYSA-N 0 0 414.849 4.361 20 5 HIBDRN COc1ccc(N(Cc2ccco2)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000303787459 855198757 /nfs/dbraw/zinc/19/87/57/855198757.db2.gz HRLRFVWSYJRGKM-UHFFFAOYSA-N 0 0 410.361 4.059 20 5 HIBDRN O=C(Nc1cccc(N2CCCCCC2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303806381 855210607 /nfs/dbraw/zinc/21/06/07/855210607.db2.gz HQVXPBOEUWMKEL-UHFFFAOYSA-N 0 0 405.458 4.413 20 5 HIBDRN CCc1cccc2c1N(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)CCC2 ZINC000303815499 855218248 /nfs/dbraw/zinc/21/82/48/855218248.db2.gz WESSUXOXDGKPAE-UHFFFAOYSA-N 0 0 400.500 4.378 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000303823717 855224709 /nfs/dbraw/zinc/22/47/09/855224709.db2.gz NMZYKZUDKHGNII-UHFFFAOYSA-N 0 0 410.449 4.289 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1coc(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000303842802 855240155 /nfs/dbraw/zinc/24/01/55/855240155.db2.gz MGYDULATPKTDSC-KRWDZBQOSA-N 0 0 423.425 4.063 20 5 HIBDRN COc1ccc(OCCSc2nnc(-c3cc(C)cc(C)c3)o2)c([N+](=O)[O-])c1 ZINC000303848887 855244604 /nfs/dbraw/zinc/24/46/04/855244604.db2.gz DAXCGKBRCQLKSD-UHFFFAOYSA-N 0 0 401.444 4.441 20 5 HIBDRN COc1ccc(Br)cc1S[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303855299 855251077 /nfs/dbraw/zinc/25/10/77/855251077.db2.gz KTIFWDJZAYYTJN-HNNXBMFYSA-N 0 0 423.288 4.264 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000303974959 855331737 /nfs/dbraw/zinc/33/17/37/855331737.db2.gz VEGZEXMLGNOIRG-SJLPKXTDSA-N 0 0 400.500 4.141 20 5 HIBDRN O=C(Nc1ccc(Br)c(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000304037424 855343356 /nfs/dbraw/zinc/34/33/56/855343356.db2.gz NOBDKQYPGOTBQR-UHFFFAOYSA-N 0 0 408.227 4.349 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000304043952 855344276 /nfs/dbraw/zinc/34/42/76/855344276.db2.gz OEHMCGCYZCSXBS-IBGZPJMESA-N 0 0 403.429 4.091 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n(Cc2ccccc2)n1 ZINC000437371030 862669197 /nfs/dbraw/zinc/66/91/97/862669197.db2.gz RRBIYPPWLWRJEN-UHFFFAOYSA-N 0 0 404.348 4.419 20 5 HIBDRN Cc1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1C(=O)N1CCCC1 ZINC000437373113 862673058 /nfs/dbraw/zinc/67/30/58/862673058.db2.gz CTOOANMLCNHWJC-UHFFFAOYSA-N 0 0 422.485 4.336 20 5 HIBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000320841307 855389417 /nfs/dbraw/zinc/38/94/17/855389417.db2.gz GCJCBXZGJHRURP-VIFPVBQESA-N 0 0 419.684 4.050 20 5 HIBDRN O=C(Nc1ccc2nccnc2c1Br)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000326598387 855411386 /nfs/dbraw/zinc/41/13/86/855411386.db2.gz FQOZIUKOPXZLBG-UHFFFAOYSA-N 0 0 407.611 4.206 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)ccc1Br ZINC000326983967 855414240 /nfs/dbraw/zinc/41/42/40/855414240.db2.gz VUCTZBAMXPECNS-UHFFFAOYSA-N 0 0 417.181 4.349 20 5 HIBDRN Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1Br ZINC000388884490 855448986 /nfs/dbraw/zinc/44/89/86/855448986.db2.gz REJAHNAUFKISBP-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c(C)cc(Br)cc2C)c1C ZINC000392109976 855463239 /nfs/dbraw/zinc/46/32/39/855463239.db2.gz MQGXTWVRVZHKBY-UHFFFAOYSA-N 0 0 413.293 4.392 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000392734647 855465928 /nfs/dbraw/zinc/46/59/28/855465928.db2.gz NXNUELNEKVQFBR-UHFFFAOYSA-N 0 0 405.248 4.083 20 5 HIBDRN COc1c(C(=O)Nc2cccc3cc(Br)cnc32)cccc1[N+](=O)[O-] ZINC000392819977 855466839 /nfs/dbraw/zinc/46/68/39/855466839.db2.gz GKXWJIURVIZTNX-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN COc1ccc(C(=O)Nc2cccc3cc(Br)cnc32)cc1[N+](=O)[O-] ZINC000392773820 855466976 /nfs/dbraw/zinc/46/69/76/855466976.db2.gz UFFQNRMVRQGQMO-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN COc1cc(C(=O)NC[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000409530907 855526708 /nfs/dbraw/zinc/52/67/08/855526708.db2.gz QWJAXYHIKWACCA-KGLIPLIRSA-N 0 0 419.503 4.195 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1NC(=O)c1ccccc1 ZINC000409532621 855527894 /nfs/dbraw/zinc/52/78/94/855527894.db2.gz CEZHLFREUZSTNH-UHFFFAOYSA-N 0 0 404.426 4.288 20 5 HIBDRN CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000409539159 855531495 /nfs/dbraw/zinc/53/14/95/855531495.db2.gz YETPXDJABUUKQZ-HXUWFJFHSA-N 0 0 424.501 4.210 20 5 HIBDRN Cc1cc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000409644270 855579344 /nfs/dbraw/zinc/57/93/44/855579344.db2.gz HWRMRBNHFFDYQX-GOSISDBHSA-N 0 0 418.501 4.277 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000409663060 855590799 /nfs/dbraw/zinc/59/07/99/855590799.db2.gz IFAQXYBWVOTYIN-CQSZACIVSA-N 0 0 423.498 4.205 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000437384223 862698410 /nfs/dbraw/zinc/69/84/10/862698410.db2.gz MGRFFVDBEOBMKH-IINYFYTJSA-N 0 0 415.165 4.061 20 5 HIBDRN C[C@H](NC(=O)N[C@H]1CCOc2c(Br)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000409696323 855606579 /nfs/dbraw/zinc/60/65/79/855606579.db2.gz HCDQTLUDPQYQTF-ZBEGNZNMSA-N 0 0 420.263 4.241 20 5 HIBDRN C[C@H](NC(=O)Nc1cccc(I)c1)c1cccc([N+](=O)[O-])c1 ZINC000409707538 855613354 /nfs/dbraw/zinc/61/33/54/855613354.db2.gz RDRPIKBFZUXRDS-JTQLQIEISA-N 0 0 411.199 4.082 20 5 HIBDRN Cn1c2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2nc1C(F)F ZINC000409834503 855678745 /nfs/dbraw/zinc/67/87/45/855678745.db2.gz FBDZTTKBJNLIEG-UHFFFAOYSA-N 0 0 400.385 4.224 20 5 HIBDRN CC(C)(COCc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000409900496 855713983 /nfs/dbraw/zinc/71/39/83/855713983.db2.gz WCKUOFZHQHSDSR-UHFFFAOYSA-N 0 0 421.291 4.011 20 5 HIBDRN COc1ccc(-c2nc(C)c(C(=O)NCCc3ccccc3[N+](=O)[O-])s2)c(F)c1 ZINC000409958261 855745482 /nfs/dbraw/zinc/74/54/82/855745482.db2.gz HHSJQIZMIYKXOZ-UHFFFAOYSA-N 0 0 415.446 4.147 20 5 HIBDRN COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000409958753 855745587 /nfs/dbraw/zinc/74/55/87/855745587.db2.gz IRVHDMZJCHXMDL-UHFFFAOYSA-N 0 0 412.870 4.398 20 5 HIBDRN Cc1c(CNC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)cccc1[N+](=O)[O-] ZINC000409984894 855762709 /nfs/dbraw/zinc/76/27/09/855762709.db2.gz UEIIKZBVEXXHGI-YLJYHZDGSA-N 0 0 415.287 4.186 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCCc3cccc(O)c3)cc2[N+](=O)[O-])n1 ZINC000410004821 855774389 /nfs/dbraw/zinc/77/43/89/855774389.db2.gz NUSPDPROCPVICB-UHFFFAOYSA-N 0 0 415.496 4.189 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)c1 ZINC000410029133 855786549 /nfs/dbraw/zinc/78/65/49/855786549.db2.gz LOXPVOMETXGJLT-UHFFFAOYSA-N 0 0 422.384 4.018 20 5 HIBDRN Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000410036699 855790611 /nfs/dbraw/zinc/79/06/11/855790611.db2.gz FMVIPJZOUZZKDV-UHFFFAOYSA-N 0 0 420.256 4.497 20 5 HIBDRN O=C(CCSc1nnc(CCCc2ccccc2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000410047147 855798693 /nfs/dbraw/zinc/79/86/93/855798693.db2.gz OGEOKTUJYQYBBX-UHFFFAOYSA-N 0 0 412.471 4.274 20 5 HIBDRN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000410087451 855813281 /nfs/dbraw/zinc/81/32/81/855813281.db2.gz IRLAXCYYPITHBI-UHFFFAOYSA-N 0 0 411.845 4.465 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410200852 855860390 /nfs/dbraw/zinc/86/03/90/855860390.db2.gz BGTMBFCREPBVPV-UHFFFAOYSA-N 0 0 406.797 4.078 20 5 HIBDRN C[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000410236094 855874902 /nfs/dbraw/zinc/87/49/02/855874902.db2.gz ZMABKWZBZNZBNC-XJKSGUPXSA-N 0 0 403.866 4.015 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@@H]1CCOC1 ZINC000410238787 855875768 /nfs/dbraw/zinc/87/57/68/855875768.db2.gz WHJNAVZHANNGRW-DZGCQCFKSA-N 0 0 403.866 4.015 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3cc(Cl)ccc32)c(C(F)(F)F)c1 ZINC000410323420 855928453 /nfs/dbraw/zinc/92/84/53/855928453.db2.gz CHOGMLQEPJZRPH-UHFFFAOYSA-N 0 0 420.796 4.409 20 5 HIBDRN CC(C)c1csc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000425919918 855999617 /nfs/dbraw/zinc/99/96/17/855999617.db2.gz GSZBHKJATLJFCQ-UHFFFAOYSA-N 0 0 402.398 4.193 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000425973765 856024545 /nfs/dbraw/zinc/02/45/45/856024545.db2.gz ACHGIMHPYIDNCV-MRXNPFEDSA-N 0 0 424.501 4.454 20 5 HIBDRN C[C@H](COc1ccc(F)cc1F)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000425997555 856038266 /nfs/dbraw/zinc/03/82/66/856038266.db2.gz XUNDLAWVJACHBA-CYBMUJFWSA-N 0 0 405.401 4.015 20 5 HIBDRN COc1cc(Cl)c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1C ZINC000426017312 856049331 /nfs/dbraw/zinc/04/93/31/856049331.db2.gz ZILITSGIBWFOAF-UHFFFAOYSA-N 0 0 401.806 4.131 20 5 HIBDRN O=C(NCCc1ccc(OC(F)(F)F)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426027552 856055610 /nfs/dbraw/zinc/05/56/10/856055610.db2.gz BGAKCQLBBYSFKT-UHFFFAOYSA-N 0 0 423.391 4.410 20 5 HIBDRN C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Oc1ccc(F)cc1 ZINC000426028706 856057256 /nfs/dbraw/zinc/05/72/56/856057256.db2.gz HNZKIFICTAELFT-LLVKDONJSA-N 0 0 415.343 4.019 20 5 HIBDRN CC(C)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccnc1 ZINC000426042870 856068454 /nfs/dbraw/zinc/06/84/54/856068454.db2.gz LYXAYDCMRIBTNZ-KRWDZBQOSA-N 0 0 410.396 4.248 20 5 HIBDRN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437405202 862757755 /nfs/dbraw/zinc/75/77/55/862757755.db2.gz LJYJLUVYVKHYDG-HXUWFJFHSA-N 0 0 411.458 4.349 20 5 HIBDRN COc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c2cccnc12 ZINC000426099507 856106897 /nfs/dbraw/zinc/10/68/97/856106897.db2.gz LWVORLIGBBXFCR-UHFFFAOYSA-N 0 0 422.441 4.227 20 5 HIBDRN CN(C)c1ccccc1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426125601 856124102 /nfs/dbraw/zinc/12/41/02/856124102.db2.gz GZRHKEDDJYQUAX-UHFFFAOYSA-N 0 0 405.454 4.170 20 5 HIBDRN COCCC1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCCC1 ZINC000426196399 856170105 /nfs/dbraw/zinc/17/01/05/856170105.db2.gz LIZDHLKWTDGRQM-UHFFFAOYSA-N 0 0 417.428 4.400 20 5 HIBDRN CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000426217910 856182659 /nfs/dbraw/zinc/18/26/59/856182659.db2.gz BVZDDTVKTFJTCC-NQIIRXRSSA-N 0 0 411.506 4.098 20 5 HIBDRN Cn1cc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)c(C(F)(F)F)n1 ZINC000426223402 856186550 /nfs/dbraw/zinc/18/65/50/856186550.db2.gz SEHKQHDNWHVDQX-UHFFFAOYSA-N 0 0 422.348 4.188 20 5 HIBDRN CN(C)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1Cl ZINC000426235245 856192690 /nfs/dbraw/zinc/19/26/90/856192690.db2.gz CKKBOZLRZAHICA-FQEVSTJZSA-N 0 0 416.909 4.225 20 5 HIBDRN COCC[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C)o1 ZINC000426241240 856197474 /nfs/dbraw/zinc/19/74/74/856197474.db2.gz CJPYMGNSOLGPTG-HNNXBMFYSA-N 0 0 415.368 4.092 20 5 HIBDRN CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCc2ccccc2C1 ZINC000426261648 856207742 /nfs/dbraw/zinc/20/77/42/856207742.db2.gz AZWWOEVXOUBTDN-KRWDZBQOSA-N 0 0 407.392 4.313 20 5 HIBDRN Cc1nc(C(C)(C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)sc1C ZINC000426268459 856212469 /nfs/dbraw/zinc/21/24/69/856212469.db2.gz CPBQNHJXSPBFSE-UHFFFAOYSA-N 0 0 416.425 4.421 20 5 HIBDRN CN(Cc1ccc(F)c(F)c1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426275928 856215438 /nfs/dbraw/zinc/21/54/38/856215438.db2.gz FCYSCEVPCWOGSV-UHFFFAOYSA-N 0 0 403.307 4.233 20 5 HIBDRN CCCCOC1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000426282311 856218860 /nfs/dbraw/zinc/21/88/60/856218860.db2.gz HIPQQKNORMIJLK-UHFFFAOYSA-N 0 0 403.401 4.104 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ncc(C3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000426285239 856220422 /nfs/dbraw/zinc/22/04/22/856220422.db2.gz AIPWSKOSSANNJS-ZDUSSCGKSA-N 0 0 416.503 4.223 20 5 HIBDRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426301888 856231516 /nfs/dbraw/zinc/23/15/16/856231516.db2.gz FVHVLHIPGSJIIE-OAHLLOKOSA-N 0 0 411.458 4.019 20 5 HIBDRN C[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1Cl ZINC000426405966 856276751 /nfs/dbraw/zinc/27/67/51/856276751.db2.gz OCGJDDVQVRWHHT-LLVKDONJSA-N 0 0 412.277 4.206 20 5 HIBDRN O=C(NCCc1ccc(Br)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426481228 856314928 /nfs/dbraw/zinc/31/49/28/856314928.db2.gz FPCKOVBKEBIJRC-UHFFFAOYSA-N 0 0 418.291 4.274 20 5 HIBDRN CCc1nn(C)cc1-c1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000426591759 856362824 /nfs/dbraw/zinc/36/28/24/856362824.db2.gz UDUPNFTVLLXZOV-UHFFFAOYSA-N 0 0 404.430 4.220 20 5 HIBDRN CC(C)(c1nc([C@@H](NC(=O)c2ccccc2)C2CC2)no1)c1ccccc1[N+](=O)[O-] ZINC000426602226 856368291 /nfs/dbraw/zinc/36/82/91/856368291.db2.gz FSADCKBSNSGBEI-SFHVURJKSA-N 0 0 406.442 4.185 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+]C[C@@]3(CC(=O)[O-])CC[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000426630909 856383199 /nfs/dbraw/zinc/38/31/99/856383199.db2.gz WERQNRXLRUACOC-SZNDQCEHSA-N 0 0 402.447 4.234 20 5 HIBDRN O=C([O-])[C@@H](CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000426639143 856387938 /nfs/dbraw/zinc/38/79/38/856387938.db2.gz LUIFERSFSSNZTJ-KRWDZBQOSA-N 0 0 411.483 4.142 20 5 HIBDRN CCCC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426647229 856392568 /nfs/dbraw/zinc/39/25/68/856392568.db2.gz ORFABXLQSDAPKG-FQEVSTJZSA-N 0 0 408.458 4.181 20 5 HIBDRN O=C([O-])c1ccc(N2CCC([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000426648449 856392781 /nfs/dbraw/zinc/39/27/81/856392781.db2.gz RDVFVVYFYLCPQE-UHFFFAOYSA-N 0 0 421.453 4.312 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+][C@H]3CCCCCC[C@@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426754744 856457167 /nfs/dbraw/zinc/45/71/67/856457167.db2.gz SSGJAEGZCYQSDF-WMZOPIPTSA-N 0 0 402.447 4.377 20 5 HIBDRN CC(C)N(C(=O)c1ccc(C(=O)N(C(C)C)C2CCC2)c([N+](=O)[O-])c1)C1CCC1 ZINC000426764401 856465338 /nfs/dbraw/zinc/46/53/38/856465338.db2.gz WRTQAUIZTZTGPT-UHFFFAOYSA-N 0 0 401.507 4.401 20 5 HIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000426775364 856472133 /nfs/dbraw/zinc/47/21/33/856472133.db2.gz ZMIPRCCZVYKVEH-HNNXBMFYSA-N 0 0 402.756 4.053 20 5 HIBDRN CC(C)(C)C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426801884 856486761 /nfs/dbraw/zinc/48/67/61/856486761.db2.gz WHRMVVHIZPXYAX-FQEVSTJZSA-N 0 0 422.485 4.427 20 5 HIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000426804145 856487991 /nfs/dbraw/zinc/48/79/91/856487991.db2.gz SCXFRKBVOVAXDG-QFIPXVFZSA-N 0 0 424.428 4.098 20 5 HIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000426813460 856493492 /nfs/dbraw/zinc/49/34/92/856493492.db2.gz XJXAUPMFAVOMOA-KRWDZBQOSA-N 0 0 400.431 4.248 20 5 HIBDRN O=C([O-])[C@@H](Cc1ccco1)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000426815807 856494509 /nfs/dbraw/zinc/49/45/09/856494509.db2.gz HKDJTUNVZGXHGR-MRXNPFEDSA-N 0 0 416.817 4.419 20 5 HIBDRN CC(C)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000426816870 856495089 /nfs/dbraw/zinc/49/50/89/856495089.db2.gz MOKNCFUULFIXBI-QGZVFWFLSA-N 0 0 407.264 4.396 20 5 HIBDRN CC(C)[C@H](CC(=O)[O-])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000426827660 856502098 /nfs/dbraw/zinc/50/20/98/856502098.db2.gz IWESSUAQEIKKLG-HNNXBMFYSA-N 0 0 411.252 4.206 20 5 HIBDRN O=C(NCc1nc(CNc2ccc([N+](=O)[O-])c3cccnc23)cs1)c1ccccc1 ZINC000426877829 856524144 /nfs/dbraw/zinc/52/41/44/856524144.db2.gz AEINTQZTEHVJOM-UHFFFAOYSA-N 0 0 419.466 4.142 20 5 HIBDRN O=C(c1ccc(Br)c2c1OCCC2)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000426887940 856527802 /nfs/dbraw/zinc/52/78/02/856527802.db2.gz BEWDSKPRCBHKMI-UHFFFAOYSA-N 0 0 417.259 4.275 20 5 HIBDRN COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1C(F)(F)F ZINC000426918714 856541733 /nfs/dbraw/zinc/54/17/33/856541733.db2.gz MXSNAJNUIPQRJC-UHFFFAOYSA-N 0 0 409.364 4.475 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(F)cc1NC1CC1 ZINC000426934290 856549958 /nfs/dbraw/zinc/54/99/58/856549958.db2.gz XLCFWNACUPHQDU-UHFFFAOYSA-N 0 0 408.227 4.252 20 5 HIBDRN COc1cc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)ccc1C(F)(F)F ZINC000426938152 856550806 /nfs/dbraw/zinc/55/08/06/856550806.db2.gz WQLHCTISDBVDJT-UHFFFAOYSA-N 0 0 407.304 4.128 20 5 HIBDRN O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426974978 856572795 /nfs/dbraw/zinc/57/27/95/856572795.db2.gz PFXRBZZBKYFNEZ-YADHBBJMSA-N 0 0 409.486 4.407 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000426979852 856576573 /nfs/dbraw/zinc/57/65/73/856576573.db2.gz FXJAUGUSJJFMII-JOCHJYFZSA-N 0 0 410.426 4.180 20 5 HIBDRN CC(=O)c1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc1C ZINC000426989323 856581837 /nfs/dbraw/zinc/58/18/37/856581837.db2.gz HXPBYRPGWJMAOL-UHFFFAOYSA-N 0 0 419.437 4.010 20 5 HIBDRN C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000426992771 856583903 /nfs/dbraw/zinc/58/39/03/856583903.db2.gz ABJJDHYDFHDKMX-CYBMUJFWSA-N 0 0 418.906 4.317 20 5 HIBDRN C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000426992769 856584340 /nfs/dbraw/zinc/58/43/40/856584340.db2.gz AAZYTVYXJSYEKD-GFCCVEGCSA-N 0 0 404.879 4.306 20 5 HIBDRN O=C(N[C@H](c1ccco1)c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000426999779 856588376 /nfs/dbraw/zinc/58/83/76/856588376.db2.gz MGAPUWFYFVRLPN-KRWDZBQOSA-N 0 0 401.216 4.470 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000437448603 862814894 /nfs/dbraw/zinc/81/48/94/862814894.db2.gz OPGKGNAVZZBEIX-NEPJUHHUSA-N 0 0 414.311 4.084 20 5 HIBDRN Cc1cc(C)nc(NC(=O)c2ccc(C(=O)Nc3cc(C)cc(C)n3)c([N+](=O)[O-])c2)c1 ZINC000427056596 856613860 /nfs/dbraw/zinc/61/38/60/856613860.db2.gz IBPPMJYQKBEFJG-UHFFFAOYSA-N 0 0 419.441 4.123 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000427112257 856645030 /nfs/dbraw/zinc/64/50/30/856645030.db2.gz ATUJCHZZZIYIRQ-UHFFFAOYSA-N 0 0 420.347 4.119 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCOc4ccncc43)cc2[N+](=O)[O-])cc1 ZINC000427145400 856667459 /nfs/dbraw/zinc/66/74/59/856667459.db2.gz YWICCNDCUPCCLU-UHFFFAOYSA-N 0 0 407.451 4.489 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H]3C[C@H](c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000437458800 862822438 /nfs/dbraw/zinc/82/24/38/862822438.db2.gz KKVYHRMTSVWZFS-MEMLXQNLSA-N 0 0 404.470 4.132 20 5 HIBDRN Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000427191308 856702144 /nfs/dbraw/zinc/70/21/44/856702144.db2.gz XPINLOKKRRIING-UHFFFAOYSA-N 0 0 401.220 4.308 20 5 HIBDRN COc1cc(C(=O)Nc2cc(CCc3ccccc3)ccn2)cc([N+](=O)[O-])c1OC ZINC000427217398 856717749 /nfs/dbraw/zinc/71/77/49/856717749.db2.gz QNLOLZWMKJXWCU-UHFFFAOYSA-N 0 0 407.426 4.045 20 5 HIBDRN CCCCC[C@@H]1CCCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000427221181 856720276 /nfs/dbraw/zinc/72/02/76/856720276.db2.gz YMPFVJVZTHKSEE-OAHLLOKOSA-N 0 0 403.508 4.059 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)n1 ZINC000427256689 856739075 /nfs/dbraw/zinc/73/90/75/856739075.db2.gz MTJNFGAAZAUIDJ-UHFFFAOYSA-N 0 0 408.418 4.016 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000437469749 862831820 /nfs/dbraw/zinc/83/18/20/862831820.db2.gz RRFSIYVCZJRHJN-AULYBMBSSA-N 0 0 404.348 4.166 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000427287271 856752409 /nfs/dbraw/zinc/75/24/09/856752409.db2.gz FRTTYLTYJMOHCK-UHFFFAOYSA-N 0 0 417.849 4.135 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437472014 862832839 /nfs/dbraw/zinc/83/28/39/862832839.db2.gz JURAKUMJLUJSBB-UHFFFAOYSA-N 0 0 422.460 4.270 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000437471066 862833384 /nfs/dbraw/zinc/83/33/84/862833384.db2.gz HPTXSTHMOCDWNP-UHFFFAOYSA-N 0 0 413.449 4.261 20 5 HIBDRN Cc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1Cc1ccccn1 ZINC000437475113 862835252 /nfs/dbraw/zinc/83/52/52/862835252.db2.gz AWLJAVBDLBMJMU-UHFFFAOYSA-N 0 0 404.470 4.261 20 5 HIBDRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000427358532 856792227 /nfs/dbraw/zinc/79/22/27/856792227.db2.gz IPWLXAOEQFZBAR-UZXAJXEFSA-N 0 0 416.499 4.197 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)n1 ZINC000427365439 856797178 /nfs/dbraw/zinc/79/71/78/856797178.db2.gz HFXXMJJLKCNMBB-UHFFFAOYSA-N 0 0 402.813 4.201 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC(CCc2ccccc2)CCc2ccccc2)n1 ZINC000427372859 856800131 /nfs/dbraw/zinc/80/01/31/856800131.db2.gz RWVZOJUIZYIGGK-UHFFFAOYSA-N 0 0 406.486 4.175 20 5 HIBDRN Cc1cc(OCC(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000437477138 862837190 /nfs/dbraw/zinc/83/71/90/862837190.db2.gz WRMLHOYANVBPMC-KOMQPUFPSA-N 0 0 408.376 4.363 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000437481495 862839965 /nfs/dbraw/zinc/83/99/65/862839965.db2.gz AYAJGOGYLHECRX-WMZHIEFXSA-N 0 0 411.502 4.379 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000427455543 856827844 /nfs/dbraw/zinc/82/78/44/856827844.db2.gz KJIGKDXSGYASSE-UHFFFAOYSA-N 0 0 420.425 4.177 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000427463242 856832126 /nfs/dbraw/zinc/83/21/26/856832126.db2.gz DJOKUYZTMAECAM-UHFFFAOYSA-N 0 0 416.484 4.475 20 5 HIBDRN O=C(c1cnn2c1nccc2-c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427570971 856871517 /nfs/dbraw/zinc/87/15/17/856871517.db2.gz BKNWOMLJMIRVMV-UHFFFAOYSA-N 0 0 413.437 4.109 20 5 HIBDRN O=C(Cn1c2ccccc2nc1C(F)(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427573269 856872346 /nfs/dbraw/zinc/87/23/46/856872346.db2.gz QYICJHIJZDOSCZ-UHFFFAOYSA-N 0 0 418.375 4.155 20 5 HIBDRN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000427595493 856881965 /nfs/dbraw/zinc/88/19/65/856881965.db2.gz DOOKWTKQKHETLC-LJQANCHMSA-N 0 0 413.865 4.111 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000427605036 856885262 /nfs/dbraw/zinc/88/52/62/856885262.db2.gz VMTHUHUTSKYDKN-UHFFFAOYSA-N 0 0 408.311 4.073 20 5 HIBDRN COc1ccc(C(=O)C[C@@H](C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000427606687 856886121 /nfs/dbraw/zinc/88/61/21/856886121.db2.gz MWFKPQYPADNEQB-GFCCVEGCSA-N 0 0 424.375 4.148 20 5 HIBDRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)o1 ZINC000437490215 862847737 /nfs/dbraw/zinc/84/77/37/862847737.db2.gz LSXNBRHQCCVSQB-IFXJQAMLSA-N 0 0 423.473 4.253 20 5 HIBDRN CN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)[C@H]1CC1(C)C ZINC000427625658 856891311 /nfs/dbraw/zinc/89/13/11/856891311.db2.gz ZXEVMXCLAQYVCW-AWEZNQCLSA-N 0 0 405.501 4.003 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(-c2ccc(Br)o2)no1 ZINC000427680414 856906519 /nfs/dbraw/zinc/90/65/19/856906519.db2.gz SVEKELNEYDAWBL-UHFFFAOYSA-N 0 0 421.207 4.046 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(SCc3ccccc3Cl)cn2)n1 ZINC000427703955 856915981 /nfs/dbraw/zinc/91/59/81/856915981.db2.gz ZZTMMECGOLEIPZ-UHFFFAOYSA-N 0 0 417.878 4.404 20 5 HIBDRN Cc1nnc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)s1 ZINC000427718364 856921580 /nfs/dbraw/zinc/92/15/80/856921580.db2.gz MCMLXSXAMWBTJM-UHFFFAOYSA-N 0 0 417.878 4.297 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)n1 ZINC000427827899 856972836 /nfs/dbraw/zinc/97/28/36/856972836.db2.gz OCKIGTGKUIEVGY-UHFFFAOYSA-N 0 0 409.490 4.444 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ncc1Br ZINC000427838434 856976703 /nfs/dbraw/zinc/97/67/03/856976703.db2.gz IWWIZYMBXMBURC-SECBINFHSA-N 0 0 414.643 4.120 20 5 HIBDRN O=C(CCOc1cccc(Cl)c1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427963566 857024640 /nfs/dbraw/zinc/02/46/40/857024640.db2.gz IYLMJILOKSTYJK-UHFFFAOYSA-N 0 0 411.241 4.092 20 5 HIBDRN Cc1nccn1CCCN(C)C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000437520785 862864634 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858486180 /nfs/dbraw/zinc/48/61/80/858486180.db2.gz VYEACRBAUWADSX-VIFPVBQESA-N 0 0 415.190 4.350 20 5 HIBDRN C[C@@H](c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1)N1CCOCC1 ZINC000431174320 858486982 /nfs/dbraw/zinc/48/69/82/858486982.db2.gz BCGRMDMOIDCTTF-INIZCTEOSA-N 0 0 412.490 4.045 20 5 HIBDRN Cc1c(NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)cc(Br)cc1[N+](=O)[O-] ZINC000431178881 858489560 /nfs/dbraw/zinc/48/95/60/858489560.db2.gz BGJCSQAUKREOQJ-UHFFFAOYSA-N 0 0 420.194 4.311 20 5 HIBDRN Cc1c(NC(=O)c2ccnn2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000431180722 858491114 /nfs/dbraw/zinc/49/11/14/858491114.db2.gz PYXVHHZVOOYUMY-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1c(NC(=O)c2cc3nccnc3cc2F)cc(Br)cc1[N+](=O)[O-] ZINC000431183691 858492827 /nfs/dbraw/zinc/49/28/27/858492827.db2.gz QCYHQHJXAIXUND-UHFFFAOYSA-N 0 0 405.183 4.000 20 5 HIBDRN Cc1ccccc1-n1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cn1 ZINC000431183336 858492925 /nfs/dbraw/zinc/49/29/25/858492925.db2.gz PQWUDOKYABERRZ-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1c(C)cc(C)cc1Br ZINC000431211357 858506183 /nfs/dbraw/zinc/50/61/83/858506183.db2.gz YOUZPNLOEOJUGZ-UHFFFAOYSA-N 0 0 408.252 4.033 20 5 HIBDRN C[C@H](NC(=O)COc1c(Br)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000431215282 858508787 /nfs/dbraw/zinc/50/87/87/858508787.db2.gz CCPRJQNJLVWJNG-JTQLQIEISA-N 0 0 413.655 4.267 20 5 HIBDRN Cc1ccc([C@H](NC(=O)COc2c(Br)cccc2[N+](=O)[O-])C2CC2)cc1 ZINC000431221474 858513206 /nfs/dbraw/zinc/51/32/06/858513206.db2.gz UANXNVBTSBWCEG-SFHVURJKSA-N 0 0 419.275 4.312 20 5 HIBDRN CC(C)CO[C@H](C)c1noc(COc2c(Br)cccc2[N+](=O)[O-])n1 ZINC000431237428 858522803 /nfs/dbraw/zinc/52/28/03/858522803.db2.gz OECBJJHNZVRURA-SNVBAGLBSA-N 0 0 400.229 4.053 20 5 HIBDRN COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)CC2 ZINC000431237122 858523287 /nfs/dbraw/zinc/52/32/87/858523287.db2.gz KTTKQDQANZLMJN-AWEZNQCLSA-N 0 0 405.248 4.343 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000431255685 858534854 /nfs/dbraw/zinc/53/48/54/858534854.db2.gz MZEFEVFYNLFZSV-VWKPWSFCSA-N 0 0 422.547 4.142 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000431380565 858586652 /nfs/dbraw/zinc/58/66/52/858586652.db2.gz XTCPNFLJKRUBSZ-UHFFFAOYSA-N 0 0 416.503 4.205 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000431390262 858591484 /nfs/dbraw/zinc/59/14/84/858591484.db2.gz JQSRVBMYFUAPFW-UHFFFAOYSA-N 0 0 418.881 4.445 20 5 HIBDRN COCCCOc1cccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000431402254 858596544 /nfs/dbraw/zinc/59/65/44/858596544.db2.gz BFUHXIZJKVYGEG-UHFFFAOYSA-N 0 0 411.361 4.256 20 5 HIBDRN COCc1nc2cc(NC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)ccc2o1 ZINC000431407649 858599753 /nfs/dbraw/zinc/59/97/53/858599753.db2.gz PRBLFLZVIQKFER-UHFFFAOYSA-N 0 0 408.317 4.128 20 5 HIBDRN CC(C)(NC(=O)Nc1ccccc1CN1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431408098 858600778 /nfs/dbraw/zinc/60/07/78/858600778.db2.gz AWGBCZROOGHBLS-UHFFFAOYSA-N 0 0 414.531 4.200 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3cccc(SC)c3)CC2)ccc1[N+](=O)[O-] ZINC000431439888 858615673 /nfs/dbraw/zinc/61/56/73/858615673.db2.gz XOKDTBNRNZGKIN-UHFFFAOYSA-N 0 0 416.503 4.070 20 5 HIBDRN COc1ccc(CCCN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431453812 858624477 /nfs/dbraw/zinc/62/44/77/858624477.db2.gz YONSFMWXQCZHSY-UHFFFAOYSA-N 0 0 407.264 4.071 20 5 HIBDRN O=c1c(Cl)c(N[C@H]2C[C@H](c3ccc(F)cc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000431481648 858637798 /nfs/dbraw/zinc/63/77/98/858637798.db2.gz HKTDFXNFGLZINL-CTYIDZIISA-N 0 0 414.824 4.291 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000431484455 858638836 /nfs/dbraw/zinc/63/88/36/858638836.db2.gz MDJFOBJTXYCHPX-MEBBXXQBSA-N 0 0 411.277 4.021 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](COCc2ccccc2)C1 ZINC000431487942 858641080 /nfs/dbraw/zinc/64/10/80/858641080.db2.gz YGSZOPZXFPADJL-HNNXBMFYSA-N 0 0 419.275 4.036 20 5 HIBDRN COc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000431626020 858697230 /nfs/dbraw/zinc/69/72/30/858697230.db2.gz SAWHOQQZCUPIEQ-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN Cc1c(CN2C(=O)[C@@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)cccc1[N+](=O)[O-] ZINC000431727068 858766818 /nfs/dbraw/zinc/76/68/18/858766818.db2.gz SFVCHPZSPVYTDU-MRXNPFEDSA-N 0 0 408.241 4.345 20 5 HIBDRN CC[C@@H](c1ccccc1)N1CC(=O)N(CCc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000431751717 858788248 /nfs/dbraw/zinc/78/82/48/858788248.db2.gz KGZIHGIPTYKTNB-KRWDZBQOSA-N 0 0 401.850 4.206 20 5 HIBDRN O=C1[C@H]2C[C@H](C3CCCCC3)CN2C(=O)N1CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000431753205 858789239 /nfs/dbraw/zinc/78/92/39/858789239.db2.gz NJGOOZONDKTHPI-MAUKXSAKSA-N 0 0 405.882 4.024 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000431767905 858802634 /nfs/dbraw/zinc/80/26/34/858802634.db2.gz HWYVDFBIPGRFLA-HNNXBMFYSA-N 0 0 412.490 4.314 20 5 HIBDRN CC(C)(NC(=O)NCCc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000431775285 858805711 /nfs/dbraw/zinc/80/57/11/858805711.db2.gz IHBYZPMSZIXBRB-UHFFFAOYSA-N 0 0 412.309 4.196 20 5 HIBDRN CC(C)(NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000431797322 858816764 /nfs/dbraw/zinc/81/67/64/858816764.db2.gz NCHDGMMNCBYXIH-UHFFFAOYSA-N 0 0 424.501 4.458 20 5 HIBDRN CC(C)(NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000431799333 858817634 /nfs/dbraw/zinc/81/76/34/858817634.db2.gz STBRDFBLWLTBHF-UHFFFAOYSA-N 0 0 418.881 4.201 20 5 HIBDRN CC(C)[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000431859436 858842579 /nfs/dbraw/zinc/84/25/79/858842579.db2.gz GEGIGCPPXMWCBY-FQEVSTJZSA-N 0 0 413.474 4.298 20 5 HIBDRN COc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1OCC(F)(F)F ZINC000431961791 858890094 /nfs/dbraw/zinc/89/00/94/858890094.db2.gz BIUVHYYDZSMOQP-UHFFFAOYSA-N 0 0 412.364 4.461 20 5 HIBDRN CC(C)CO[C@@H](C)c1noc(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000467543947 881366159 /nfs/dbraw/zinc/36/61/59/881366159.db2.gz SAXKQGIXYYFUSQ-LBPRGKRZSA-N 0 0 409.464 4.011 20 5 HIBDRN CCc1nn(C)c(N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000432158290 859022337 /nfs/dbraw/zinc/02/23/37/859022337.db2.gz NNPBFLCSJXCKHF-OAHLLOKOSA-N 0 0 412.412 4.266 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000432163686 859024942 /nfs/dbraw/zinc/02/49/42/859024942.db2.gz OWROTBBIKBOJJJ-AWEZNQCLSA-N 0 0 402.394 4.146 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432316376 859100533 /nfs/dbraw/zinc/10/05/33/859100533.db2.gz ZPKJVLGOKRFBDJ-CQSZACIVSA-N 0 0 424.423 4.160 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000432320904 859102016 /nfs/dbraw/zinc/10/20/16/859102016.db2.gz CEZRMENLWLQUJW-MRXNPFEDSA-N 0 0 413.499 4.134 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(F)cc1OCC1CC1 ZINC000432330071 859106017 /nfs/dbraw/zinc/10/60/17/859106017.db2.gz XFJGGBFBKFJJPV-UHFFFAOYSA-N 0 0 411.389 4.088 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)cc1 ZINC000432340146 859110083 /nfs/dbraw/zinc/11/00/83/859110083.db2.gz XOPBDKBJLWXVOU-KRWDZBQOSA-N 0 0 419.485 4.490 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000432413541 859152624 /nfs/dbraw/zinc/15/26/24/859152624.db2.gz HLRCPUFSFLLWAB-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN COc1cc(CNc2cccc(-c3nnco3)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000432441213 859166121 /nfs/dbraw/zinc/16/61/21/859166121.db2.gz JAIRQULRFQYAFC-UHFFFAOYSA-N 0 0 424.335 4.207 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000432475502 859182583 /nfs/dbraw/zinc/18/25/83/859182583.db2.gz GFINYEVGHHTSBR-QGZVFWFLSA-N 0 0 410.396 4.042 20 5 HIBDRN Cc1cnc(C2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)s1 ZINC000432484478 859187702 /nfs/dbraw/zinc/18/77/02/859187702.db2.gz GBZDQIAOGYARFS-UHFFFAOYSA-N 0 0 417.534 4.326 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000432484988 859187842 /nfs/dbraw/zinc/18/78/42/859187842.db2.gz XXRRLAWFYYUKAM-AWEZNQCLSA-N 0 0 404.264 4.454 20 5 HIBDRN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000432532408 859212721 /nfs/dbraw/zinc/21/27/21/859212721.db2.gz WEIJTLXHWVXHOF-PZJWPPBQSA-N 0 0 424.840 4.429 20 5 HIBDRN CCOc1cc(NC(=O)N2CC(C)(C)[C@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC ZINC000432634741 859264794 /nfs/dbraw/zinc/26/47/94/859264794.db2.gz UIMQDJRUGWQBLF-LJQANCHMSA-N 0 0 414.462 4.402 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432642691 859268438 /nfs/dbraw/zinc/26/84/38/859268438.db2.gz FVRSPNFKDXFAOQ-DLBZAZTESA-N 0 0 423.238 4.147 20 5 HIBDRN CC(C)(NC(=O)Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000432710734 859311353 /nfs/dbraw/zinc/31/13/53/859311353.db2.gz QDBWIFPNSMMWLZ-UHFFFAOYSA-N 0 0 418.881 4.142 20 5 HIBDRN Cc1nc(NC(=O)c2cc(C(F)(F)F)ccc2Br)ccc1[N+](=O)[O-] ZINC000432741858 859330346 /nfs/dbraw/zinc/33/03/46/859330346.db2.gz OVKJFGOLPBBUPZ-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN O=C(NCc1ncoc1-c1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467605094 881411356 /nfs/dbraw/zinc/41/13/56/881411356.db2.gz JHPCTIVSKDKKRI-UHFFFAOYSA-N 0 0 406.423 4.303 20 5 HIBDRN Cc1ccc(-c2cccnc2)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000432806927 859368883 /nfs/dbraw/zinc/36/88/83/859368883.db2.gz QWJASWUFOJCWBO-UHFFFAOYSA-N 0 0 417.469 4.319 20 5 HIBDRN COc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000432836098 859380734 /nfs/dbraw/zinc/38/07/34/859380734.db2.gz KYJKOZXXQLSTAJ-UHFFFAOYSA-N 0 0 408.252 4.423 20 5 HIBDRN COc1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC ZINC000432839272 859381738 /nfs/dbraw/zinc/38/17/38/859381738.db2.gz GXGYGTQHFUAQHF-MRXNPFEDSA-N 0 0 406.385 4.258 20 5 HIBDRN COc1ccccc1-c1noc(C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)n1 ZINC000432880467 859405242 /nfs/dbraw/zinc/40/52/42/859405242.db2.gz NSFHSOYUTBRZDQ-UHFFFAOYSA-N 0 0 410.430 4.046 20 5 HIBDRN CC(=O)N1CCN(c2cccc(N[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)c2)CC1 ZINC000433090229 859518753 /nfs/dbraw/zinc/51/87/53/859518753.db2.gz RDXKJSKOHWXOOL-JOCHJYFZSA-N 0 0 408.502 4.098 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1)C(C)C ZINC000433156519 859544751 /nfs/dbraw/zinc/54/47/51/859544751.db2.gz BNGUCGYBKOMBLZ-UHFFFAOYSA-N 0 0 412.490 4.409 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000433332303 859648345 /nfs/dbraw/zinc/64/83/45/859648345.db2.gz UOMKGYGNKLXRDC-UHFFFAOYSA-N 0 0 415.515 4.122 20 5 HIBDRN COc1cc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(C)C ZINC000467664368 881457757 /nfs/dbraw/zinc/45/77/57/881457757.db2.gz SOQSUROKEBBMAD-UHFFFAOYSA-N 0 0 407.854 4.408 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000433566436 859782534 /nfs/dbraw/zinc/78/25/34/859782534.db2.gz SLRDHWHWXJGVBY-UHFFFAOYSA-N 0 0 406.280 4.050 20 5 HIBDRN CCN(Cc1cc(Br)ccc1F)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433686865 859837919 /nfs/dbraw/zinc/83/79/19/859837919.db2.gz VUHFYWFFSHOBIO-UHFFFAOYSA-N 0 0 413.247 4.005 20 5 HIBDRN COc1ccc(C)cc1-c1csc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000433741863 859869658 /nfs/dbraw/zinc/86/96/58/859869658.db2.gz JTAWXYGFZWPMTI-UHFFFAOYSA-N 0 0 401.448 4.134 20 5 HIBDRN CNC(=O)c1cc(Oc2cccc(OCc3ccc(OC)c([N+](=O)[O-])c3)c2C)ccn1 ZINC000433755197 859877213 /nfs/dbraw/zinc/87/72/13/859877213.db2.gz CPQYRWPBKQAXCM-UHFFFAOYSA-N 0 0 423.425 4.038 20 5 HIBDRN CCc1sc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])nc1-c1ccc(OC)cc1 ZINC000433760975 859880517 /nfs/dbraw/zinc/88/05/17/859880517.db2.gz YUWZTZBGHKSMIB-UHFFFAOYSA-N 0 0 415.475 4.388 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c1[N+](=O)[O-] ZINC000433771861 859886589 /nfs/dbraw/zinc/88/65/89/859886589.db2.gz VTOOZMPYTTTZHR-OAHLLOKOSA-N 0 0 424.505 4.392 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1[N+](=O)[O-] ZINC000433831683 859920265 /nfs/dbraw/zinc/92/02/65/859920265.db2.gz FDSLRBJBQYUKBD-UHFFFAOYSA-N 0 0 411.443 4.241 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c1[N+](=O)[O-] ZINC000433849879 859931598 /nfs/dbraw/zinc/93/15/98/859931598.db2.gz UYEYAFHEDFRSLB-JAGHRAMZSA-N 0 0 416.481 4.468 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccccc1[N+](=O)[O-] ZINC000433871662 859944523 /nfs/dbraw/zinc/94/45/23/859944523.db2.gz DSQIJIYTACGCDM-WBVHZDCISA-N 0 0 416.499 4.275 20 5 HIBDRN COc1cc(C)c(S(=O)(=O)n2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1C(C)C ZINC000433872582 859945516 /nfs/dbraw/zinc/94/55/16/859945516.db2.gz LIIYIUBRESQGAD-UHFFFAOYSA-N 0 0 415.471 4.136 20 5 HIBDRN CCc1c(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nnn1Cc1ccc(F)cc1 ZINC000433963980 860005323 /nfs/dbraw/zinc/00/53/23/860005323.db2.gz DTUZXVXXZPWPEC-UHFFFAOYSA-N 0 0 417.828 4.150 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000433989547 860021501 /nfs/dbraw/zinc/02/15/01/860021501.db2.gz FZMKNMFNZHEJQT-UHFFFAOYSA-N 0 0 416.499 4.139 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(F)(c2ccccc2)CC1 ZINC000434032262 860051791 /nfs/dbraw/zinc/05/17/91/860051791.db2.gz PZNWXCZHGSGEAK-UHFFFAOYSA-N 0 0 411.477 4.299 20 5 HIBDRN COc1cc(C(=O)N2CCC(F)(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000434040951 860058031 /nfs/dbraw/zinc/05/80/31/860058031.db2.gz ITNHVUFCNIQQPC-UHFFFAOYSA-N 0 0 424.375 4.306 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(OCC2CCCC2)CC1 ZINC000434139765 860138034 /nfs/dbraw/zinc/13/80/34/860138034.db2.gz CBWUGMUZGPTGLG-AWEZNQCLSA-N 0 0 410.898 4.213 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(OCC2CCCC2)CC1 ZINC000434141309 860139300 /nfs/dbraw/zinc/13/93/00/860139300.db2.gz KRYBRKGUQZHQNY-UHFFFAOYSA-N 0 0 415.534 4.009 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1[N+](=O)[O-] ZINC000434183833 860174232 /nfs/dbraw/zinc/17/42/32/860174232.db2.gz PBHDRNSRRUVDBS-ZDUSSCGKSA-N 0 0 411.487 4.423 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c1[N+](=O)[O-] ZINC000434186088 860176502 /nfs/dbraw/zinc/17/65/02/860176502.db2.gz FFMGZUABDHJZSG-UHFFFAOYSA-N 0 0 404.430 4.092 20 5 HIBDRN COc1cc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000434253033 860231754 /nfs/dbraw/zinc/23/17/54/860231754.db2.gz GGYBMBJDPBWQNT-UHFFFAOYSA-N 0 0 402.834 4.195 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000434325849 860287292 /nfs/dbraw/zinc/28/72/92/860287292.db2.gz KCPSWRAIPPHBLF-SCLBCKFNSA-N 0 0 424.375 4.163 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434674217 860455100 /nfs/dbraw/zinc/45/51/00/860455100.db2.gz HAOQZLOFCKSTPP-CQSZACIVSA-N 0 0 424.432 4.440 20 5 HIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000434714747 860467353 /nfs/dbraw/zinc/46/73/53/860467353.db2.gz SQAYQBVEQVTPDE-UHFFFAOYSA-N 0 0 421.501 4.085 20 5 HIBDRN Cc1ccccc1Cc1nc(COc2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000434792891 860495706 /nfs/dbraw/zinc/49/57/06/860495706.db2.gz IVFQSFWLLAKHOK-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2cccs2)c(NCc2nnnn2-c2ccccc2)c1 ZINC000434878492 860530745 /nfs/dbraw/zinc/53/07/45/860530745.db2.gz DKBQWHALKHBCFQ-UHFFFAOYSA-N 0 0 410.484 4.395 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000467751285 881560580 /nfs/dbraw/zinc/56/05/80/881560580.db2.gz FNQWEWALNARLLX-MVQRFQBOSA-N 0 0 400.397 4.015 20 5 HIBDRN C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1nc[nH]n1 ZINC000467754833 881568740 /nfs/dbraw/zinc/56/87/40/881568740.db2.gz XAZKLNZBRPBUEL-JTQLQIEISA-N 0 0 403.851 4.009 20 5 HIBDRN COc1ccc(CNC(=O)Nc2c3c(ccc2Cl)CC(C)(C)O3)cc1[N+](=O)[O-] ZINC000435326536 860737341 /nfs/dbraw/zinc/73/73/41/860737341.db2.gz DFNGSNYJFYKNAZ-UHFFFAOYSA-N 0 0 405.838 4.292 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@@]2(CO)CC(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435327805 860739222 /nfs/dbraw/zinc/73/92/22/860739222.db2.gz IVZFHEYMBZBSKJ-KRWDZBQOSA-N 0 0 414.300 4.071 20 5 HIBDRN Cc1cnc(CCN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000435327381 860739289 /nfs/dbraw/zinc/73/92/89/860739289.db2.gz GZUIHOLFFGZDAA-UHFFFAOYSA-N 0 0 413.297 4.137 20 5 HIBDRN CCc1ccc([C@H](CO)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000435328529 860740010 /nfs/dbraw/zinc/74/00/10/860740010.db2.gz LJNXVNOWTGLHHQ-INIZCTEOSA-N 0 0 422.279 4.083 20 5 HIBDRN Cc1cc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)nn1[C@@H](C)C1CC1 ZINC000435330736 860742140 /nfs/dbraw/zinc/74/21/40/860742140.db2.gz VUMIAYDRCABBOX-NSHDSACASA-N 0 0 422.283 4.786 20 5 HIBDRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435334171 860744834 /nfs/dbraw/zinc/74/48/34/860744834.db2.gz XEUQKDOWFORLPL-CQSZACIVSA-N 0 0 422.283 4.375 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435356741 860757415 /nfs/dbraw/zinc/75/74/15/860757415.db2.gz GZXMCCHZEBXZAT-JTQLQIEISA-N 0 0 415.393 4.099 20 5 HIBDRN COCCOc1cccc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000435358809 860759450 /nfs/dbraw/zinc/75/94/50/860759450.db2.gz RWEAQDNCKQUELD-UHFFFAOYSA-N 0 0 420.465 4.396 20 5 HIBDRN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cnn1-c1ccccc1F ZINC000435369087 860767284 /nfs/dbraw/zinc/76/72/84/860767284.db2.gz KGJAXDUWXROGKX-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN CCOC(=O)[C@@H](C)CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467760736 881579399 /nfs/dbraw/zinc/57/93/99/881579399.db2.gz ULIDMTQZKPNDNG-LBPRGKRZSA-N 0 0 422.890 4.328 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1cccc(-n2cnnn2)c1 ZINC000435444164 860800660 /nfs/dbraw/zinc/80/06/60/860800660.db2.gz VAIASCDMWZEQBI-UHFFFAOYSA-N 0 0 424.467 4.036 20 5 HIBDRN C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435449145 860802026 /nfs/dbraw/zinc/80/20/26/860802026.db2.gz OJSSCTHZULPODJ-TZMCWYRMSA-N 0 0 408.501 4.330 20 5 HIBDRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000435453382 860803991 /nfs/dbraw/zinc/80/39/91/860803991.db2.gz SIZGXJLTVCUXBM-SFHVURJKSA-N 0 0 412.273 4.203 20 5 HIBDRN C[S@@](=O)c1ccc(CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000435455553 860804838 /nfs/dbraw/zinc/80/48/38/860804838.db2.gz WSRHMMOREHMWHR-GDLZYMKVSA-N 0 0 410.451 4.306 20 5 HIBDRN CN(CC1CCCC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435486768 860816746 /nfs/dbraw/zinc/81/67/46/860816746.db2.gz KSGIQOFTKYXOJR-UHFFFAOYSA-N 0 0 419.528 4.395 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000435523825 860840246 /nfs/dbraw/zinc/84/02/46/860840246.db2.gz XNYPPOWYLGPWIY-FQEVSTJZSA-N 0 0 410.401 4.271 20 5 HIBDRN COc1cccc(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c1[N+](=O)[O-] ZINC000435564845 860885315 /nfs/dbraw/zinc/88/53/15/860885315.db2.gz JEMBCAFFLXESCP-HNNXBMFYSA-N 0 0 407.426 4.068 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)s1 ZINC000435592432 860899498 /nfs/dbraw/zinc/89/94/98/860899498.db2.gz LIAZKFHKBLXWDI-UMSPYCQHSA-N 0 0 420.434 4.437 20 5 HIBDRN COc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000435664437 860943938 /nfs/dbraw/zinc/94/39/38/860943938.db2.gz SWSSICFMOWTWRQ-CYBMUJFWSA-N 0 0 413.455 4.039 20 5 HIBDRN Cc1ccccc1CN(Cc1ccccn1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000435679204 860961019 /nfs/dbraw/zinc/96/10/19/860961019.db2.gz WXQXSEVRHYPIOR-UHFFFAOYSA-N 0 0 405.454 4.214 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)c1[N+](=O)[O-] ZINC000435694832 860977559 /nfs/dbraw/zinc/97/75/59/860977559.db2.gz CTALRKRGZZMWBO-UHFFFAOYSA-N 0 0 407.879 4.062 20 5 HIBDRN Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000435721252 861005425 /nfs/dbraw/zinc/00/54/25/861005425.db2.gz BQZQIWCUUUARKJ-LEWJYISDSA-N 0 0 421.453 4.277 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[N@H+](Cc4ccccc4)CC3)cs2)c1 ZINC000435773484 861048175 /nfs/dbraw/zinc/04/81/75/861048175.db2.gz LLDUXIPPFYGHHP-UHFFFAOYSA-N 0 0 408.527 4.426 20 5 HIBDRN O=C(NCc1cccc(OCCOc2ccccc2[N+](=O)[O-])c1)Nc1ccccc1 ZINC000435793142 861063842 /nfs/dbraw/zinc/06/38/42/861063842.db2.gz YSRHYSRXXWFAFD-UHFFFAOYSA-N 0 0 407.426 4.374 20 5 HIBDRN CC[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC000435815732 861081200 /nfs/dbraw/zinc/08/12/00/861081200.db2.gz AAOGIEUZCQPDIV-ZDUSSCGKSA-N 0 0 412.364 4.210 20 5 HIBDRN CN(CCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1 ZINC000435820130 861085563 /nfs/dbraw/zinc/08/55/63/861085563.db2.gz UHTXUWFBAMMOLM-UHFFFAOYSA-N 0 0 421.447 4.216 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)c1[N+](=O)[O-] ZINC000435820396 861086021 /nfs/dbraw/zinc/08/60/21/861086021.db2.gz WRSRMGWGFKVYLD-UHFFFAOYSA-N 0 0 414.805 4.437 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000435832045 861095080 /nfs/dbraw/zinc/09/50/80/861095080.db2.gz YGXPLRACCYEOFR-UHFFFAOYSA-N 0 0 417.896 4.297 20 5 HIBDRN COc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1[N+](=O)[O-] ZINC000435874486 861134553 /nfs/dbraw/zinc/13/45/53/861134553.db2.gz KTRVFILBOPXHLM-JOCHJYFZSA-N 0 0 418.449 4.448 20 5 HIBDRN CS(=O)(=O)c1cc(SCc2nc(-c3ccccc3)cs2)ccc1[N+](=O)[O-] ZINC000435902516 861158573 /nfs/dbraw/zinc/15/85/73/861158573.db2.gz OJXQIXJSJXPBRD-UHFFFAOYSA-N 0 0 406.510 4.414 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000467795526 881619680 /nfs/dbraw/zinc/61/96/80/881619680.db2.gz CGNXBWFSRIOZNT-UHFFFAOYSA-N 0 0 406.417 4.145 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)c1ccc(C(F)(F)F)cc1Cl ZINC000435908060 861170005 /nfs/dbraw/zinc/17/00/05/861170005.db2.gz STLFIKAZXIFBBZ-UHFFFAOYSA-N 0 0 424.784 4.101 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000437774511 863093689 /nfs/dbraw/zinc/09/36/89/863093689.db2.gz OBDKDWNSEYYFIH-FQEVSTJZSA-N 0 0 407.474 4.048 20 5 HIBDRN CSc1cc2c(cc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)OCCO2 ZINC000437780945 863097867 /nfs/dbraw/zinc/09/78/67/863097867.db2.gz DGWHENDLKOIXAC-UHFFFAOYSA-N 0 0 415.471 4.284 20 5 HIBDRN Cc1ccc(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cc1Br ZINC000437921539 863298348 /nfs/dbraw/zinc/29/83/48/863298348.db2.gz JOVVYUNDYHGFOP-UHFFFAOYSA-N 0 0 416.318 4.362 20 5 HIBDRN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000437932334 863308872 /nfs/dbraw/zinc/30/88/72/863308872.db2.gz ZWECASVKNLNYGN-HNNXBMFYSA-N 0 0 406.236 4.345 20 5 HIBDRN C[C@@H](Sc1ccccc1)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000437935833 863311055 /nfs/dbraw/zinc/31/10/55/863311055.db2.gz BJXDTZOGIGCLFE-OAHLLOKOSA-N 0 0 409.467 4.249 20 5 HIBDRN CSCc1cc(F)ccc1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437975185 863344148 /nfs/dbraw/zinc/34/41/48/863344148.db2.gz FAMDAEPUTNRANT-UHFFFAOYSA-N 0 0 403.479 4.471 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000438013107 863373503 /nfs/dbraw/zinc/37/35/03/863373503.db2.gz OCNPKXOIOLCJLS-MRXNPFEDSA-N 0 0 424.501 4.454 20 5 HIBDRN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438025989 863385716 /nfs/dbraw/zinc/38/57/16/863385716.db2.gz YNFVUBBRWVMEGI-DENIHFKCSA-N 0 0 417.550 4.301 20 5 HIBDRN O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438056871 863427577 /nfs/dbraw/zinc/42/75/77/863427577.db2.gz IWDHQYXBJCECPR-UHFFFAOYSA-N 0 0 404.304 4.029 20 5 HIBDRN Cc1cc(NC(=O)CCc2cccc(OC(C)(C)C)n2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467832186 881666806 /nfs/dbraw/zinc/66/68/06/881666806.db2.gz NYSYWRYBDKEDTQ-UHFFFAOYSA-N 0 0 423.473 4.233 20 5 HIBDRN O=C(Nc1ccccc1OCC1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438275083 863744709 /nfs/dbraw/zinc/74/47/09/863744709.db2.gz PORYTCVCRVESNA-UHFFFAOYSA-N 0 0 411.458 4.459 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CC[C@H](O)C(C)(C)C3)cc2[N+](=O)[O-])cc1 ZINC000438538333 863964646 /nfs/dbraw/zinc/96/46/46/863964646.db2.gz UQSFGPNRTMXEQU-IBGZPJMESA-N 0 0 400.500 4.287 20 5 HIBDRN O=C(Nc1cccc(CC(F)(F)F)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000438557662 863989558 /nfs/dbraw/zinc/98/95/58/863989558.db2.gz MCWPNKFZYPBKTI-UHFFFAOYSA-N 0 0 408.380 4.054 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000467863145 881717296 /nfs/dbraw/zinc/71/72/96/881717296.db2.gz MSDXCGBUXPJGKM-UHFFFAOYSA-N 0 0 415.858 4.232 20 5 HIBDRN O=C(Nc1ccccc1CC(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438620398 864045913 /nfs/dbraw/zinc/04/59/13/864045913.db2.gz NBWYLCRCRMXCHS-UHFFFAOYSA-N 0 0 408.380 4.054 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccccc1CC(F)(F)F ZINC000438652335 864094823 /nfs/dbraw/zinc/09/48/23/864094823.db2.gz AWXNXNPMDHZHLP-UHFFFAOYSA-N 0 0 423.391 4.075 20 5 HIBDRN COc1cc(C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)c([N+](=O)[O-])cc1OC ZINC000467870430 881728316 /nfs/dbraw/zinc/72/83/16/881728316.db2.gz BUYKKBRSEDTPRF-UHFFFAOYSA-N 0 0 408.813 4.081 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000438670281 864130346 /nfs/dbraw/zinc/13/03/46/864130346.db2.gz KUZYIYNZBQTUIH-UHFFFAOYSA-N 0 0 410.257 4.277 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438696170 864163707 /nfs/dbraw/zinc/16/37/07/864163707.db2.gz ULWLMPWENAJJGY-MSOLQXFVSA-N 0 0 414.527 4.475 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000438786016 864279953 /nfs/dbraw/zinc/27/99/53/864279953.db2.gz NRMAGOFVNLMQNY-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN CSc1ccccc1[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438793452 864286050 /nfs/dbraw/zinc/28/60/50/864286050.db2.gz KHRSLFMEVJMXLU-UHFFFAOYSA-N 0 0 417.306 4.188 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[C@]12CCc1ccccc12 ZINC000438887159 864371462 /nfs/dbraw/zinc/37/14/62/864371462.db2.gz YJMIGTHYLODORC-UZLBHIALSA-N 0 0 419.403 4.046 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000438894510 864376430 /nfs/dbraw/zinc/37/64/30/864376430.db2.gz GMCPRQFVQDBAKR-UHFFFAOYSA-N 0 0 417.465 4.057 20 5 HIBDRN Cc1ccccc1-c1nc(CNc2ncc([N+](=O)[O-])c(C)c2Br)no1 ZINC000438894739 864376981 /nfs/dbraw/zinc/37/69/81/864376981.db2.gz KSAMVAKJQMODHZ-UHFFFAOYSA-N 0 0 404.224 4.031 20 5 HIBDRN Cc1c(CC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000438906770 864386546 /nfs/dbraw/zinc/38/65/46/864386546.db2.gz GPQUXMNUPBEFAL-UHFFFAOYSA-N 0 0 415.877 4.364 20 5 HIBDRN Cc1c(CC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cccc1[N+](=O)[O-] ZINC000438912703 864392214 /nfs/dbraw/zinc/39/22/14/864392214.db2.gz WFJMVBJILWWRJE-QGZVFWFLSA-N 0 0 424.432 4.041 20 5 HIBDRN Cc1c(CC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] ZINC000438928229 864406666 /nfs/dbraw/zinc/40/66/66/864406666.db2.gz FLGIBISHVPVGPU-GFCCVEGCSA-N 0 0 400.822 4.027 20 5 HIBDRN COc1cc(Br)ccc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438935301 864412466 /nfs/dbraw/zinc/41/24/66/864412466.db2.gz IKQYLEAMTDIBIW-UHFFFAOYSA-N 0 0 413.655 4.258 20 5 HIBDRN CC(C)[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000438941204 864416255 /nfs/dbraw/zinc/41/62/55/864416255.db2.gz DWWHIWAPXGFZLH-KRWDZBQOSA-N 0 0 416.421 4.430 20 5 HIBDRN CCOC(=O)[C@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000438943137 864417652 /nfs/dbraw/zinc/41/76/52/864417652.db2.gz UGHMCJCISIQVNY-HNNXBMFYSA-N 0 0 402.834 4.254 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000438955205 864425416 /nfs/dbraw/zinc/42/54/16/864425416.db2.gz FDEPOTNKWKLTJP-UHFFFAOYSA-N 0 0 401.507 4.019 20 5 HIBDRN CC(C)c1ccc(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000438964999 864432566 /nfs/dbraw/zinc/43/25/66/864432566.db2.gz IIWRHVBNTMMYAB-UHFFFAOYSA-N 0 0 418.453 4.296 20 5 HIBDRN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000438966627 864434131 /nfs/dbraw/zinc/43/41/31/864434131.db2.gz XTAUMVCSQRDEPN-UHFFFAOYSA-N 0 0 411.458 4.215 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cccc1[N+](=O)[O-] ZINC000438985460 864446464 /nfs/dbraw/zinc/44/64/64/864446464.db2.gz NOMIUUKTSVCNPH-UHFFFAOYSA-N 0 0 424.844 4.385 20 5 HIBDRN COc1cc(C(=O)N2CCC(c3ccccc3Br)CC2)ccc1[N+](=O)[O-] ZINC000439008250 864460025 /nfs/dbraw/zinc/46/00/25/864460025.db2.gz JEKCSHMPIHITQY-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2cccc(C)n2)cc1 ZINC000467907588 881769978 /nfs/dbraw/zinc/76/99/78/881769978.db2.gz BPJIPQSWRLMCDF-UHFFFAOYSA-N 0 0 407.426 4.072 20 5 HIBDRN Cc1csc(-c2cccc(NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000439083001 864530510 /nfs/dbraw/zinc/53/05/10/864530510.db2.gz GELUFYJHQYGPMP-UHFFFAOYSA-N 0 0 416.846 4.257 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000439110368 864547341 /nfs/dbraw/zinc/54/73/41/864547341.db2.gz UUHOMMLVGZAQTC-UHFFFAOYSA-N 0 0 402.756 4.428 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(c4nc5ccc([N+](=O)[O-])cc5c(=O)[nH]4)CC3)c2c1 ZINC000439109729 864547379 /nfs/dbraw/zinc/54/73/79/864547379.db2.gz WQGGKFVMGOHGBY-UHFFFAOYSA-N 0 0 417.425 4.027 20 5 HIBDRN CCOC(=O)Cn1ccc2cc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000439111018 864548627 /nfs/dbraw/zinc/54/86/27/864548627.db2.gz VAVNSGOEPODWDL-UHFFFAOYSA-N 0 0 415.833 4.327 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCOc1ccccc1C(F)(F)F ZINC000439113597 864551619 /nfs/dbraw/zinc/55/16/19/864551619.db2.gz KPSYLGZRRITVDD-UHFFFAOYSA-N 0 0 402.756 4.384 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000439117636 864554270 /nfs/dbraw/zinc/55/42/70/864554270.db2.gz LRNCHMXXSKHLTI-UHFFFAOYSA-N 0 0 419.840 4.187 20 5 HIBDRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439125965 864561437 /nfs/dbraw/zinc/56/14/37/864561437.db2.gz YFZYRZAMHOMYHB-IBGZPJMESA-N 0 0 413.499 4.180 20 5 HIBDRN Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccncc1 ZINC000439130095 864564662 /nfs/dbraw/zinc/56/46/62/864564662.db2.gz RXLVYHLEIRLHAR-UHFFFAOYSA-N 0 0 404.426 4.040 20 5 HIBDRN CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439141303 864574150 /nfs/dbraw/zinc/57/41/50/864574150.db2.gz RLVHORLJLYBCIB-UHFFFAOYSA-N 0 0 401.488 4.151 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000439159173 864590805 /nfs/dbraw/zinc/59/08/05/864590805.db2.gz WLOLNUCUNDHUSN-LBPRGKRZSA-N 0 0 400.822 4.021 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439462791 864840871 /nfs/dbraw/zinc/84/08/71/864840871.db2.gz ODNLCJZFNYSBDB-YCRPNKLZSA-N 0 0 403.479 4.187 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000439472706 864843871 /nfs/dbraw/zinc/84/38/71/864843871.db2.gz UBKQNRTYBUNLMP-UHFFFAOYSA-N 0 0 410.474 4.145 20 5 HIBDRN COC(=O)c1nc([C@H]2CCCN2C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)sc1C ZINC000467937233 881808751 /nfs/dbraw/zinc/80/87/51/881808751.db2.gz GPQACQCHTNEVGB-CQSZACIVSA-N 0 0 418.475 4.132 20 5 HIBDRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000439664104 864992790 /nfs/dbraw/zinc/99/27/90/864992790.db2.gz UACLCWOBXFGJQY-UHFFFAOYSA-N 0 0 416.821 4.048 20 5 HIBDRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000439672034 865005039 /nfs/dbraw/zinc/00/50/39/865005039.db2.gz KZYLRIIYYRLIEI-UHFFFAOYSA-N 0 0 416.821 4.048 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1cccs1)C(CC)CC ZINC000439713495 865051073 /nfs/dbraw/zinc/05/10/73/865051073.db2.gz ZGFVFRWQFIGIOZ-SFHVURJKSA-N 0 0 419.503 4.287 20 5 HIBDRN CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000439810710 865127167 /nfs/dbraw/zinc/12/71/67/865127167.db2.gz ZLIHQPDMSZSZDA-NRFANRHFSA-N 0 0 421.428 4.311 20 5 HIBDRN CC[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000439839588 865153754 /nfs/dbraw/zinc/15/37/54/865153754.db2.gz GPEDHGVIISAQFN-ZDUSSCGKSA-N 0 0 400.328 4.340 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000439863082 865170141 /nfs/dbraw/zinc/17/01/41/865170141.db2.gz NOKUQZRHYYGOPC-UHFFFAOYSA-N 0 0 421.409 4.363 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)[C@@H](CO)C(C)C ZINC000439867462 865176182 /nfs/dbraw/zinc/17/61/82/865176182.db2.gz SIDFYBDONZIZDJ-IBGZPJMESA-N 0 0 401.463 4.045 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1coc(-c2ccc(C)cc2)n1 ZINC000439880415 865192655 /nfs/dbraw/zinc/19/26/55/865192655.db2.gz SDIVEZYRVNWTET-UHFFFAOYSA-N 0 0 410.430 4.321 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000439886664 865199451 /nfs/dbraw/zinc/19/94/51/865199451.db2.gz HIVRURWODHVUDY-UHFFFAOYSA-N 0 0 415.290 4.342 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000439887556 865200174 /nfs/dbraw/zinc/20/01/74/865200174.db2.gz HVPQKYRXMGRBEB-SFHVURJKSA-N 0 0 415.446 4.380 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000439896887 865209177 /nfs/dbraw/zinc/20/91/77/865209177.db2.gz HHGRQQIEXNCSGE-SFHVURJKSA-N 0 0 405.838 4.252 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000439905142 865216168 /nfs/dbraw/zinc/21/61/68/865216168.db2.gz SVMBVAPMBVKZBV-AWEZNQCLSA-N 0 0 412.446 4.003 20 5 HIBDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000439924268 865227963 /nfs/dbraw/zinc/22/79/63/865227963.db2.gz SNLQJGNSAFOKQN-NRFANRHFSA-N 0 0 419.909 4.164 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000439935598 865235971 /nfs/dbraw/zinc/23/59/71/865235971.db2.gz VAPTVRNYEMVOHF-UHFFFAOYSA-N 0 0 421.457 4.078 20 5 HIBDRN COc1ccc(Sc2nsc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000439947078 865242414 /nfs/dbraw/zinc/24/24/14/865242414.db2.gz QPLPIRBCBXPCLK-UHFFFAOYSA-N 0 0 416.484 4.096 20 5 HIBDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000440013441 865309983 /nfs/dbraw/zinc/30/99/83/865309983.db2.gz NLVPVQOUNVCXJR-IBGZPJMESA-N 0 0 410.392 4.417 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@H]1O ZINC000468023731 881858855 /nfs/dbraw/zinc/85/88/55/881858855.db2.gz CKVAUTFRBWRUIW-SJKOYZFVSA-N 0 0 406.891 4.242 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000440144623 865378924 /nfs/dbraw/zinc/37/89/24/865378924.db2.gz MDJIHOHXPZHTJV-ZDUSSCGKSA-N 0 0 403.508 4.029 20 5 HIBDRN O=C(NCc1ccc2c(c1)OCCO2)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440435765 865737580 /nfs/dbraw/zinc/73/75/80/865737580.db2.gz HNHYMOBDRIYAOG-UHFFFAOYSA-N 0 0 422.462 4.447 20 5 HIBDRN CCn1ncc2cc(C(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)c(C)nc21 ZINC000440454485 865758611 /nfs/dbraw/zinc/75/86/11/865758611.db2.gz RGIGHQQJVZKMRD-UHFFFAOYSA-N 0 0 422.470 4.352 20 5 HIBDRN C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000440459107 865762264 /nfs/dbraw/zinc/76/22/64/865762264.db2.gz DABIRQOSPOURGE-CYBMUJFWSA-N 0 0 402.472 4.206 20 5 HIBDRN C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000440596319 865829977 /nfs/dbraw/zinc/82/99/77/865829977.db2.gz JZYNHHFABYMZRN-AWEZNQCLSA-N 0 0 414.849 4.080 20 5 HIBDRN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1 ZINC000440600685 865831521 /nfs/dbraw/zinc/83/15/21/865831521.db2.gz ISWRHAKBYMVJTQ-LJQANCHMSA-N 0 0 423.513 4.413 20 5 HIBDRN O=C(c1csc(-c2cnccn2)n1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440605476 865833875 /nfs/dbraw/zinc/83/38/75/865833875.db2.gz XAUMQKQHUWABRQ-UHFFFAOYSA-N 0 0 417.450 4.355 20 5 HIBDRN O=C(c1cc2ccccc2c2cccnc12)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000440611905 865838277 /nfs/dbraw/zinc/83/82/77/865838277.db2.gz BCPVNZINAVLHMC-UHFFFAOYSA-N 0 0 405.461 4.303 20 5 HIBDRN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000440614443 865839914 /nfs/dbraw/zinc/83/99/14/865839914.db2.gz SDTFVRBLPYZJMK-SFHVURJKSA-N 0 0 422.488 4.218 20 5 HIBDRN O=C(CSC[C@H]1CCCCO1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440615561 865840137 /nfs/dbraw/zinc/84/01/37/865840137.db2.gz UZGCIMPSZOZYKH-HXUWFJFHSA-N 0 0 400.500 4.430 20 5 HIBDRN Cc1ccc(S(C)(=O)=O)cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440616137 865840789 /nfs/dbraw/zinc/84/07/89/865840789.db2.gz RRZNRTVLKLCNFG-UHFFFAOYSA-N 0 0 424.478 4.154 20 5 HIBDRN Cc1ccc(Oc2ccccc2)c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000440621593 865843152 /nfs/dbraw/zinc/84/31/52/865843152.db2.gz YTPBIHQFTCFXPA-UHFFFAOYSA-N 0 0 419.437 4.454 20 5 HIBDRN CCN(CCOc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000440709222 865870682 /nfs/dbraw/zinc/87/06/82/865870682.db2.gz BDNZOTSKSZDFMY-UHFFFAOYSA-N 0 0 408.252 4.290 20 5 HIBDRN O=C(Nc1ccc(-c2ccccc2)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440709897 865871965 /nfs/dbraw/zinc/87/19/65/865871965.db2.gz FHPSYSVJSQZDOF-LJQANCHMSA-N 0 0 403.442 4.375 20 5 HIBDRN COc1ccccc1CN(Cc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000440723779 865875608 /nfs/dbraw/zinc/87/56/08/865875608.db2.gz FJEXWPYPMHAXIW-UHFFFAOYSA-N 0 0 404.426 4.392 20 5 HIBDRN Cn1cc(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccc(Cl)cc21 ZINC000440726366 865876876 /nfs/dbraw/zinc/87/68/76/865876876.db2.gz MEXJFIWMVUNHFC-UHFFFAOYSA-N 0 0 410.861 4.123 20 5 HIBDRN Cn1c(=O)oc2ccc(NC(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])cc21 ZINC000440731521 865879703 /nfs/dbraw/zinc/87/97/03/865879703.db2.gz KVRPLXXXZXANFR-UHFFFAOYSA-N 0 0 421.434 4.443 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000440743408 865885110 /nfs/dbraw/zinc/88/51/10/865885110.db2.gz AJLJAKUMSIDPCO-SFHVURJKSA-N 0 0 413.865 4.290 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)ccc1[N+](=O)[O-] ZINC000440753820 865891193 /nfs/dbraw/zinc/89/11/93/865891193.db2.gz KHWFVTZZVSZXEB-INIZCTEOSA-N 0 0 400.822 4.110 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000440816401 865932675 /nfs/dbraw/zinc/93/26/75/865932675.db2.gz CIZBSSJLBCCRPJ-UHFFFAOYSA-N 0 0 411.241 4.142 20 5 HIBDRN CCCCOC1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000440836592 865950092 /nfs/dbraw/zinc/95/00/92/865950092.db2.gz UPXBHCXOZGHTEP-ROUUACIJSA-N 0 0 417.550 4.498 20 5 HIBDRN CCc1nsc(N2CCCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)n1 ZINC000440849199 865955560 /nfs/dbraw/zinc/95/55/60/865955560.db2.gz ZIMVZKQMSACPRO-UHFFFAOYSA-N 0 0 417.538 4.154 20 5 HIBDRN COC(=O)c1cccc(-c2nc(COc3ccc(C(C)=O)cc3[N+](=O)[O-])cs2)c1 ZINC000440859088 865960422 /nfs/dbraw/zinc/96/04/22/865960422.db2.gz KQNRPXVPGFQODT-UHFFFAOYSA-N 0 0 412.423 4.287 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCc2cn(C)c3cc(C)ccc23)cc1SC ZINC000440874246 865970265 /nfs/dbraw/zinc/97/02/65/865970265.db2.gz LNQRAWAEIFFDNX-UHFFFAOYSA-N 0 0 413.499 4.098 20 5 HIBDRN CC1(C)CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440912958 866010089 /nfs/dbraw/zinc/01/00/89/866010089.db2.gz WUUARTNYEFVPPZ-NQCMUKECSA-N 0 0 423.307 4.167 20 5 HIBDRN O=C(Nc1ccn(CC(F)(F)F)n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441048466 866117200 /nfs/dbraw/zinc/11/72/00/866117200.db2.gz RUBAZOFFFIEWRP-UHFFFAOYSA-N 0 0 422.388 4.757 20 5 HIBDRN CCCN(C(=O)CSc1nnc(-c2ccco2)n1CC)c1cccc([N+](=O)[O-])c1 ZINC000441428344 866504428 /nfs/dbraw/zinc/50/44/28/866504428.db2.gz JTKWBSJPTRVVQN-UHFFFAOYSA-N 0 0 415.475 4.002 20 5 HIBDRN CCCN(C(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC000441449273 866525793 /nfs/dbraw/zinc/52/57/93/866525793.db2.gz MUZHAPLQLIZNKZ-UHFFFAOYSA-N 0 0 411.437 4.495 20 5 HIBDRN CCCN(C(=O)c1ccc(OCc2noc(CC)n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441464020 866540177 /nfs/dbraw/zinc/54/01/77/866540177.db2.gz HGAPGKSWIDSVEP-UHFFFAOYSA-N 0 0 410.430 4.176 20 5 HIBDRN CCCN(C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000441473527 866552281 /nfs/dbraw/zinc/55/22/81/866552281.db2.gz KKAXRODXTQPUIV-UHFFFAOYSA-N 0 0 423.513 4.209 20 5 HIBDRN CCCN(C(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441483966 866565109 /nfs/dbraw/zinc/56/51/09/866565109.db2.gz IDKMJAYKSVDIIA-AWEZNQCLSA-N 0 0 401.488 4.477 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc(Cl)cc(F)c1F ZINC000441563503 866641557 /nfs/dbraw/zinc/64/15/57/866641557.db2.gz GMQGFZDRPNZKSO-UHFFFAOYSA-N 0 0 405.582 4.470 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000441638257 866743512 /nfs/dbraw/zinc/74/35/12/866743512.db2.gz WUQMQMBPIMTQJP-QGZVFWFLSA-N 0 0 422.441 4.045 20 5 HIBDRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000441848885 866911326 /nfs/dbraw/zinc/91/13/26/866911326.db2.gz PCQPIARDVUUYNB-OAHLLOKOSA-N 0 0 410.474 4.168 20 5 HIBDRN CCC[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441923710 866988533 /nfs/dbraw/zinc/98/85/33/866988533.db2.gz IMLMFLWFLXQYJG-HNNXBMFYSA-N 0 0 403.866 4.104 20 5 HIBDRN COc1ccccc1-c1ccc([C@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000442160107 867181223 /nfs/dbraw/zinc/18/12/23/867181223.db2.gz YDDZJZJBDASPLE-HNNXBMFYSA-N 0 0 419.437 4.086 20 5 HIBDRN C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Br)s1 ZINC000468180011 882056406 /nfs/dbraw/zinc/05/64/06/882056406.db2.gz WARFASPEYUXPHT-SNVBAGLBSA-N 0 0 408.277 4.251 20 5 HIBDRN CSc1ccc(C(=O)N2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000468204128 882082818 /nfs/dbraw/zinc/08/28/18/882082818.db2.gz GEPZESRMZPLSQA-UHFFFAOYSA-N 0 0 409.261 4.118 20 5 HIBDRN CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000442525956 867501131 /nfs/dbraw/zinc/50/11/31/867501131.db2.gz LWFJBLZMHLVEAN-DNVCBOLYSA-N 0 0 415.877 4.263 20 5 HIBDRN C[C@H](Nc1ccc(-c2nc([C@@H]3CCOC[C@@H]3C)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000442669798 867606760 /nfs/dbraw/zinc/60/67/60/867606760.db2.gz DAEYYVAZHVOCTB-OFQRWUPVSA-N 0 0 409.446 4.353 20 5 HIBDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442738467 867657699 /nfs/dbraw/zinc/65/76/99/867657699.db2.gz IPMVFFJDVBTEGS-MRXNPFEDSA-N 0 0 414.405 4.131 20 5 HIBDRN Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000442814754 867685100 /nfs/dbraw/zinc/68/51/00/867685100.db2.gz VKYVOOYCQBISQT-MRXNPFEDSA-N 0 0 422.510 4.499 20 5 HIBDRN CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442879742 867711957 /nfs/dbraw/zinc/71/19/57/867711957.db2.gz 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O=C(c1ccc([N+](=O)[O-])o1)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000468243255 882143877 /nfs/dbraw/zinc/14/38/77/882143877.db2.gz RTXSVXYMBDWGOC-UHFFFAOYSA-N 0 0 405.332 4.444 20 5 HIBDRN COc1ccc(-c2nc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)s2)c(F)c1 ZINC000443453508 868041725 /nfs/dbraw/zinc/04/17/25/868041725.db2.gz HNNDAIUMWPDFIT-UHFFFAOYSA-N 0 0 417.418 4.435 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000443540634 868098559 /nfs/dbraw/zinc/09/85/59/868098559.db2.gz ILYUHSDKSAIQBI-OAQYLSRUSA-N 0 0 418.453 4.275 20 5 HIBDRN C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000443686001 868288623 /nfs/dbraw/zinc/28/86/23/868288623.db2.gz UJZVVAIKWHALTF-QGZVFWFLSA-N 0 0 410.495 4.235 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000443751303 868321716 /nfs/dbraw/zinc/32/17/16/868321716.db2.gz AHFLKUFPONNMGQ-SFHVURJKSA-N 0 0 402.497 4.060 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CCCS1 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O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000468304395 882228328 /nfs/dbraw/zinc/22/83/28/882228328.db2.gz CSWNKIUKDYYZAB-JCURWCKSSA-N 0 0 418.902 4.242 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000444384511 868802230 /nfs/dbraw/zinc/80/22/30/868802230.db2.gz VYCJBGGAGNYAGS-LLVKDONJSA-N 0 0 424.301 4.323 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000444412937 868816818 /nfs/dbraw/zinc/81/68/18/868816818.db2.gz RXXFALDPCBUZPN-SGTLLEGYSA-N 0 0 409.269 4.433 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Nc2ncccn2)cc1 ZINC000444418189 868820616 /nfs/dbraw/zinc/82/06/16/868820616.db2.gz UCAFTKBZWHYZFX-LBPRGKRZSA-N 0 0 413.821 4.188 20 5 HIBDRN O=C(NCC1(CO)CCC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000468306805 882231883 /nfs/dbraw/zinc/23/18/83/882231883.db2.gz JSDZCFFYFSDIFL-UHFFFAOYSA-N 0 0 406.891 4.292 20 5 HIBDRN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000444467588 868840552 /nfs/dbraw/zinc/84/05/52/868840552.db2.gz OEFXWKFKVSEXAU-ZBEGNZNMSA-N 0 0 402.394 4.023 20 5 HIBDRN CCC[C@]1(CO)CCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000444533798 868872422 /nfs/dbraw/zinc/87/24/22/868872422.db2.gz DRIZHXSJGNCHED-LJQANCHMSA-N 0 0 421.544 4.278 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000444572862 868887306 /nfs/dbraw/zinc/88/73/06/868887306.db2.gz OZUZNKGVPHPBSX-HXUWFJFHSA-N 0 0 420.490 4.472 20 5 HIBDRN C[C@H](Cc1ccccc1)n1cccc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444634320 868921730 /nfs/dbraw/zinc/92/17/30/868921730.db2.gz YLXCHIGDPKANDE-OAHLLOKOSA-N 0 0 403.442 4.006 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000444635222 868922813 /nfs/dbraw/zinc/92/28/13/868922813.db2.gz KAAYFQDXZOIRDJ-NEPJUHHUSA-N 0 0 405.241 4.198 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc2ccccc2cc1OC(F)F ZINC000444637452 868923409 /nfs/dbraw/zinc/92/34/09/868923409.db2.gz PPJVYRZAUOBBCM-UHFFFAOYSA-N 0 0 412.352 4.156 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000444636614 868923669 /nfs/dbraw/zinc/92/36/69/868923669.db2.gz NTDVCDFUXXDDLI-UHFFFAOYSA-N 0 0 401.835 4.111 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(COc2cccc(F)c2)c1 ZINC000444639759 868925287 /nfs/dbraw/zinc/92/52/87/868925287.db2.gz BBXZMBLUCXHDCJ-UHFFFAOYSA-N 0 0 420.400 4.119 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1occc1CSc1ccccc1 ZINC000444646801 868929254 /nfs/dbraw/zinc/92/92/54/868929254.db2.gz TYORVGLJPTZZGC-UHFFFAOYSA-N 0 0 408.439 4.286 20 5 HIBDRN C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1nc2ccccc2n1C(F)F ZINC000444657086 868935094 /nfs/dbraw/zinc/93/50/94/868935094.db2.gz JDTHKTYUOXCAJY-LLVKDONJSA-N 0 0 414.372 4.240 20 5 HIBDRN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000444669905 868948768 /nfs/dbraw/zinc/94/87/68/868948768.db2.gz XIBZFORDLJHYES-FQEVSTJZSA-N 0 0 408.849 4.136 20 5 HIBDRN C[C@@H](N[C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000444675176 868953219 /nfs/dbraw/zinc/95/32/19/868953219.db2.gz LTUHHZJVASTEAU-NWDGAFQWSA-N 0 0 403.389 4.017 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000444696925 868962646 /nfs/dbraw/zinc/96/26/46/868962646.db2.gz JQWQRIQVJMYTBH-UHFFFAOYSA-N 0 0 406.280 4.045 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000444703090 868965070 /nfs/dbraw/zinc/96/50/70/868965070.db2.gz YVZGSMXVCJJYSW-UGSOOPFHSA-N 0 0 414.849 4.260 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000444703081 868965543 /nfs/dbraw/zinc/96/55/43/868965543.db2.gz YVZGSMXVCJJYSW-ACJLOTCBSA-N 0 0 414.849 4.260 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444707472 868968303 /nfs/dbraw/zinc/96/83/03/868968303.db2.gz QEQSTCKFSIVULR-ZDUSSCGKSA-N 0 0 406.280 4.125 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1[N+](=O)[O-] ZINC000444754791 868987338 /nfs/dbraw/zinc/98/73/38/868987338.db2.gz BSEYCXKQEBZSNP-ZDUSSCGKSA-N 0 0 408.739 4.267 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000444778133 868998075 /nfs/dbraw/zinc/99/80/75/868998075.db2.gz HQDBSCFHOBUVPN-UHFFFAOYSA-N 0 0 410.430 4.465 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)c1[N+](=O)[O-] ZINC000444805327 869018751 /nfs/dbraw/zinc/01/87/51/869018751.db2.gz QZFHHGNXKZPLMT-UHFFFAOYSA-N 0 0 405.313 4.112 20 5 HIBDRN O=C(NCCc1nc2ccccc2s1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444829068 869037615 /nfs/dbraw/zinc/03/76/15/869037615.db2.gz NUYLJUZKUDPWET-UHFFFAOYSA-N 0 0 412.290 4.001 20 5 HIBDRN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444857951 869059100 /nfs/dbraw/zinc/05/91/00/869059100.db2.gz KGJLFSTWQUXPEP-UHFFFAOYSA-N 0 0 419.868 4.045 20 5 HIBDRN C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccc2c(c1)CCC(=O)N2 ZINC000444869283 869066970 /nfs/dbraw/zinc/06/69/70/869066970.db2.gz DNRUGNJKBIVZIT-AWEZNQCLSA-N 0 0 411.461 4.057 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000444888505 869078619 /nfs/dbraw/zinc/07/86/19/869078619.db2.gz VSKUSJLPGQGZAW-ZDUSSCGKSA-N 0 0 417.878 4.161 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@H]1O ZINC000468327879 882260153 /nfs/dbraw/zinc/26/01/53/882260153.db2.gz OIWVFEPRZWJCBK-MLGOLLRUSA-N 0 0 406.891 4.242 20 5 HIBDRN CCCOc1ccc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000444892953 869081126 /nfs/dbraw/zinc/08/11/26/869081126.db2.gz DIWBXIKOLFKNOP-CYBMUJFWSA-N 0 0 403.435 4.284 20 5 HIBDRN COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444903726 869091306 /nfs/dbraw/zinc/09/13/06/869091306.db2.gz OMFCZXHPYAPSSQ-UHFFFAOYSA-N 0 0 411.817 4.076 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)CSc1ccccc1OC ZINC000444907007 869093404 /nfs/dbraw/zinc/09/34/04/869093404.db2.gz UMAZZNPIPYHKJZ-ZDUSSCGKSA-N 0 0 405.476 4.162 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000444907014 869093423 /nfs/dbraw/zinc/09/34/23/869093423.db2.gz UNBRKDCVDMXJNM-QGZVFWFLSA-N 0 0 423.429 4.413 20 5 HIBDRN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@@H]1O ZINC000468329762 882261633 /nfs/dbraw/zinc/26/16/33/882261633.db2.gz SVHXRWKFQUNNFY-SJCJKPOMSA-N 0 0 406.891 4.242 20 5 HIBDRN Cc1c(COC(C)(C)C)cccc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444915353 869101368 /nfs/dbraw/zinc/10/13/68/869101368.db2.gz XFSSZGDGDVSDKN-UHFFFAOYSA-N 0 0 411.462 4.416 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000444922707 869107208 /nfs/dbraw/zinc/10/72/08/869107208.db2.gz ODOSMKFUGCAUSV-JTQLQIEISA-N 0 0 405.361 4.231 20 5 HIBDRN CC(C)(C)Oc1cc(F)ccc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444948654 869122963 /nfs/dbraw/zinc/12/29/63/869122963.db2.gz HQZNEAQIDRSRES-UHFFFAOYSA-N 0 0 401.398 4.109 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000444967446 869132365 /nfs/dbraw/zinc/13/23/65/869132365.db2.gz AFFRXRMNHRSEHM-ZDUSSCGKSA-N 0 0 420.256 4.265 20 5 HIBDRN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444968501 869133585 /nfs/dbraw/zinc/13/35/85/869133585.db2.gz PPFFXHVEMUQDGZ-UHFFFAOYSA-N 0 0 414.852 4.773 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444993230 869149354 /nfs/dbraw/zinc/14/93/54/869149354.db2.gz QQNCNBLCMTZSNE-QGZVFWFLSA-N 0 0 415.468 4.219 20 5 HIBDRN O=C(NCc1nccn1CCc1ccccc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445000835 869154903 /nfs/dbraw/zinc/15/49/03/869154903.db2.gz PNRMGQCTFJNMSQ-UHFFFAOYSA-N 0 0 422.488 4.051 20 5 HIBDRN C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1noc(Cc2ccccc2)n1 ZINC000445011514 869163826 /nfs/dbraw/zinc/16/38/26/869163826.db2.gz QDQUUHKXUHKCEU-HNNXBMFYSA-N 0 0 424.460 4.146 20 5 HIBDRN C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nc(-c2ccccc2)cs1 ZINC000445081392 869205937 /nfs/dbraw/zinc/20/59/37/869205937.db2.gz IKGPKEMFOGPGPG-LBPRGKRZSA-N 0 0 422.470 4.155 20 5 HIBDRN COc1ccc2oc([C@@H](C)NC(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)c(C)c2c1 ZINC000445088479 869209522 /nfs/dbraw/zinc/20/95/22/869209522.db2.gz SDMVXXWHNRDERS-GFCCVEGCSA-N 0 0 423.429 4.095 20 5 HIBDRN CCC(C)(C)OCc1ccccc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445112615 869222456 /nfs/dbraw/zinc/22/24/56/869222456.db2.gz OTQMRSNJENVCDX-UHFFFAOYSA-N 0 0 411.462 4.498 20 5 HIBDRN O=C(NCCOCc1ccc(Cl)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445129968 869233035 /nfs/dbraw/zinc/23/30/35/869233035.db2.gz AKPCBVZMQRAURT-UHFFFAOYSA-N 0 0 406.869 4.281 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000468341596 882276973 /nfs/dbraw/zinc/27/69/73/882276973.db2.gz VOBRPBXODRQNJA-HXUWFJFHSA-N 0 0 416.840 4.188 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC(c1cccs1)c1cccs1 ZINC000445150054 869243743 /nfs/dbraw/zinc/24/37/43/869243743.db2.gz HGTOUXRCXIWAMV-UHFFFAOYSA-N 0 0 413.484 4.183 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000445168368 869255486 /nfs/dbraw/zinc/25/54/86/869255486.db2.gz WCSPFRRNJFULQY-DLBZAZTESA-N 0 0 410.257 4.332 20 5 HIBDRN CCCC(=O)Nc1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000445173235 869257894 /nfs/dbraw/zinc/25/78/94/869257894.db2.gz NHVZDNROZBISHZ-UHFFFAOYSA-N 0 0 412.265 4.410 20 5 HIBDRN O=C(N[C@H]1CCOc2c(Cl)cccc21)c1sc(Br)cc1[N+](=O)[O-] ZINC000445176525 869261466 /nfs/dbraw/zinc/26/14/66/869261466.db2.gz VMDVZXNSMXZWME-VIFPVBQESA-N 0 0 417.668 4.326 20 5 HIBDRN CCN(Cc1c(F)cccc1F)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000445181743 869263491 /nfs/dbraw/zinc/26/34/91/869263491.db2.gz HPQUOAOJOBEGSW-UHFFFAOYSA-N 0 0 405.220 4.359 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000468344620 882280899 /nfs/dbraw/zinc/28/08/99/882280899.db2.gz VCDMCQJDCJOLKV-LJQANCHMSA-N 0 0 408.401 4.164 20 5 HIBDRN Cc1ccc2c(CCNC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cn(C)c2c1 ZINC000445213245 869277874 /nfs/dbraw/zinc/27/78/74/869277874.db2.gz ADPQMNHRKYGTCN-UHFFFAOYSA-N 0 0 409.489 4.454 20 5 HIBDRN CC(C)[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1F ZINC000445248653 869304104 /nfs/dbraw/zinc/30/41/04/869304104.db2.gz LAFISEXBABPDAE-GOSISDBHSA-N 0 0 419.844 4.460 20 5 HIBDRN CCc1ccc([C@H]2CN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)CCO2)cc1 ZINC000445257876 869311050 /nfs/dbraw/zinc/31/10/50/869311050.db2.gz DORWZTVAKXYUEV-HSZRJFAPSA-N 0 0 412.489 4.457 20 5 HIBDRN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445263616 869313952 /nfs/dbraw/zinc/31/39/52/869313952.db2.gz QPHOMPVLANVTPY-KRWDZBQOSA-N 0 0 422.488 5.048 20 5 HIBDRN CN(C)C(=O)c1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)ccc1Cl ZINC000445264706 869315117 /nfs/dbraw/zinc/31/51/17/869315117.db2.gz TZCFSPFWNFJMRZ-UHFFFAOYSA-N 0 0 419.868 4.289 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3nc4c(cccc4F)n3C)cc2[N+](=O)[O-])CC1 ZINC000468349143 882286943 /nfs/dbraw/zinc/28/69/43/882286943.db2.gz NFBCIWHQXCZBAJ-UHFFFAOYSA-N 0 0 411.437 4.109 20 5 HIBDRN COc1cc(F)c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1F ZINC000468353683 882292076 /nfs/dbraw/zinc/29/20/76/882292076.db2.gz RZKWVTVBNWEPQR-LBPRGKRZSA-N 0 0 405.401 4.370 20 5 HIBDRN CCCCc1ccc(NC(=O)Cc2noc(CNc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000445326275 869385912 /nfs/dbraw/zinc/38/59/12/869385912.db2.gz VFKNZXDJKNZWMZ-UHFFFAOYSA-N 0 0 409.446 4.114 20 5 HIBDRN O=C(Cc1noc(/C=C\c2ccccc2[N+](=O)[O-])n1)Nc1cccc2ccccc21 ZINC000445332889 869394750 /nfs/dbraw/zinc/39/47/50/869394750.db2.gz PPFPCYQLDGYYKE-SEYXRHQNSA-N 0 0 400.394 4.483 20 5 HIBDRN O=C(Cc1noc(/C=C/c2cccc([N+](=O)[O-])c2)n1)Nc1cccc2ccccc21 ZINC000445334881 869397106 /nfs/dbraw/zinc/39/71/06/869397106.db2.gz YLOFVOOLGBSWGB-VAWYXSNFSA-N 0 0 400.394 4.483 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000445346086 869410488 /nfs/dbraw/zinc/41/04/88/869410488.db2.gz ZCTARCNNQKRDAB-UHFFFAOYSA-N 0 0 407.213 4.441 20 5 HIBDRN CCOc1ccccc1NC(=O)Cc1noc(/C(C)=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000445350127 869415363 /nfs/dbraw/zinc/41/53/63/869415363.db2.gz LUUAYFFWTYBEHP-OWBHPGMISA-N 0 0 408.414 4.118 20 5 HIBDRN Cc1cc(-c2nc(CC(=O)Nc3ccc(Cl)cc3Cl)no2)cc([N+](=O)[O-])c1 ZINC000445368127 869439053 /nfs/dbraw/zinc/43/90/53/869439053.db2.gz PSGYRNBBUXEJBZ-UHFFFAOYSA-N 0 0 407.213 4.441 20 5 HIBDRN COc1cc(-c2nc(CC(=O)Nc3ccc(Cl)cc3Cl)no2)ccc1[N+](=O)[O-] ZINC000445379744 869462572 /nfs/dbraw/zinc/46/25/72/869462572.db2.gz FUIOWLWLVHZGJM-UHFFFAOYSA-N 0 0 423.212 4.141 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1nc(CC(=O)Nc2cc(Cl)cc(Cl)c2)no1 ZINC000445382243 869465217 /nfs/dbraw/zinc/46/52/17/869465217.db2.gz CALFZRAQGUTEDJ-UHFFFAOYSA-N 0 0 407.213 4.441 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccc(-c4nnco4)cc3)no2)cc(C(F)(F)F)c1 ZINC000445400860 869485671 /nfs/dbraw/zinc/48/56/71/869485671.db2.gz 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CC[C@@](C)(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000446135945 870080568 /nfs/dbraw/zinc/08/05/68/870080568.db2.gz INNQYHSRXPGJHA-QFIPXVFZSA-N 0 0 408.458 4.038 20 5 HIBDRN CCOC(=O)[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 ZINC000446244060 870185232 /nfs/dbraw/zinc/18/52/32/870185232.db2.gz LYBKAOWXCSRKOS-AWEZNQCLSA-N 0 0 422.359 4.311 20 5 HIBDRN CCOC(=O)[C@@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])c2ccccc21 ZINC000446248029 870190359 /nfs/dbraw/zinc/19/03/59/870190359.db2.gz MLLFTHNOXUHIFE-OAHLLOKOSA-N 0 0 400.456 4.014 20 5 HIBDRN CCNc1ccc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000446248624 870191909 /nfs/dbraw/zinc/19/19/09/870191909.db2.gz LWXAPXWDUVZBDA-YJYMSZOUSA-N 0 0 403.866 4.282 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000446252835 870195429 /nfs/dbraw/zinc/19/54/29/870195429.db2.gz LZAQEADHPGPLFZ-DJJJIMSYSA-N 0 0 411.845 4.399 20 5 HIBDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000446252836 870195585 /nfs/dbraw/zinc/19/55/85/870195585.db2.gz LZAQEADHPGPLFZ-ORAYPTAESA-N 0 0 411.845 4.399 20 5 HIBDRN CCC1(CC)Oc2ccc(NC(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2O1 ZINC000446261749 870200732 /nfs/dbraw/zinc/20/07/32/870200732.db2.gz DPIXVRKSVOJDIR-UHFFFAOYSA-N 0 0 411.418 4.080 20 5 HIBDRN COc1ccc(C2(NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CCOCC2)cc1F ZINC000446262141 870201897 /nfs/dbraw/zinc/20/18/97/870201897.db2.gz JFWARTQONWGNJD-UHFFFAOYSA-N 0 0 417.437 4.187 20 5 HIBDRN CCN1CC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000446303687 870229174 /nfs/dbraw/zinc/22/91/74/870229174.db2.gz WKLDVIPMTJTDOB-LPHOPBHVSA-N 0 0 405.857 4.261 20 5 HIBDRN CSCc1cc(F)ccc1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000446305737 870231389 /nfs/dbraw/zinc/23/13/89/870231389.db2.gz PPCCCQPIRXSXOM-UHFFFAOYSA-N 0 0 420.509 4.473 20 5 HIBDRN O=C(CCCc1csc2ccccc12)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000446312288 870235900 /nfs/dbraw/zinc/23/59/00/870235900.db2.gz MSUOMHIXGFIJDO-MRXNPFEDSA-N 0 0 410.499 4.240 20 5 HIBDRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000468450278 882387400 /nfs/dbraw/zinc/38/74/00/882387400.db2.gz XDZFOXMMAHMOJE-DLBZAZTESA-N 0 0 424.501 4.098 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000446351322 870260282 /nfs/dbraw/zinc/26/02/82/870260282.db2.gz XINWHCSXDKFKKX-GHTZIAJQSA-N 0 0 420.868 4.199 20 5 HIBDRN COc1cc(C(=O)NCc2ccc(C)cc2OC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000446404717 870308151 /nfs/dbraw/zinc/30/81/51/870308151.db2.gz GDHWGICDFLICMQ-UHFFFAOYSA-N 0 0 424.400 4.230 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N1CCc3ccc([N+](=O)[O-])cc3C1)O[C@H](C)C2 ZINC000446426455 870341006 /nfs/dbraw/zinc/34/10/06/870341006.db2.gz QHKINWZIVZBDKW-RFVSGWPVSA-N 0 0 422.481 4.005 20 5 HIBDRN C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446427991 870343778 /nfs/dbraw/zinc/34/37/78/870343778.db2.gz NAJOXDAOKSMLJM-QFBILLFUSA-N 0 0 414.458 4.087 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446429629 870347112 /nfs/dbraw/zinc/34/71/12/870347112.db2.gz MMZVVFXGJDBGSJ-QZTJIDSGSA-N 0 0 401.260 4.046 20 5 HIBDRN COc1cccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000446430186 870347897 /nfs/dbraw/zinc/34/78/97/870347897.db2.gz SKDNDNZLOGPJDK-UHFFFAOYSA-N 0 0 408.410 4.200 20 5 HIBDRN O=C(CSCC(F)(F)F)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446431178 870349961 /nfs/dbraw/zinc/34/99/61/870349961.db2.gz KBHSQAIYLQALJL-UHFFFAOYSA-N 0 0 400.378 4.408 20 5 HIBDRN Cn1nc2ccccc2c1C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446433190 870351227 /nfs/dbraw/zinc/35/12/27/870351227.db2.gz PXBPULKNWJXCBE-UHFFFAOYSA-N 0 0 402.410 4.313 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])[C@H]1CC(=O)Nc2ccccc21 ZINC000446435722 870355426 /nfs/dbraw/zinc/35/54/26/870355426.db2.gz DNYNTVWNMJVNTL-SFHVURJKSA-N 0 0 417.421 4.238 20 5 HIBDRN Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1NC(=O)c1ccccc1 ZINC000446436774 870356640 /nfs/dbraw/zinc/35/66/40/870356640.db2.gz WWEQNXUKUZVXNS-UHFFFAOYSA-N 0 0 415.449 4.354 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1C)O[C@@H](C)C2 ZINC000446483429 870396584 /nfs/dbraw/zinc/39/65/84/870396584.db2.gz BUQYAEMHVMFHDA-AXHNFQJDSA-N 0 0 411.458 4.303 20 5 HIBDRN COc1ccc(F)c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000446484697 870397259 /nfs/dbraw/zinc/39/72/59/870397259.db2.gz KHHLCNUHIPRKAV-ZIAGYGMSSA-N 0 0 401.438 4.477 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000446484267 870397722 /nfs/dbraw/zinc/39/77/22/870397722.db2.gz HSYWKDAKPMTGBA-CYBMUJFWSA-N 0 0 419.279 4.066 20 5 HIBDRN COC(=O)c1ccc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(F)(F)F)cc1 ZINC000446485582 870398719 /nfs/dbraw/zinc/39/87/19/870398719.db2.gz PEHVYAQCWXDOKZ-OAHLLOKOSA-N 0 0 411.336 4.115 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)cc1OC ZINC000446485823 870399054 /nfs/dbraw/zinc/39/90/54/870399054.db2.gz RRHXAOCNYQIKRI-OAHLLOKOSA-N 0 0 413.474 4.093 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000446487069 870400918 /nfs/dbraw/zinc/40/09/18/870400918.db2.gz YYMBXJREPUIXKW-AWEZNQCLSA-N 0 0 419.279 4.066 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1[N+](=O)[O-] ZINC000446510919 870428888 /nfs/dbraw/zinc/42/88/88/870428888.db2.gz QEHCYGULSGBNAQ-UHFFFAOYSA-N 0 0 405.454 4.355 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000446641462 870552823 /nfs/dbraw/zinc/55/28/23/870552823.db2.gz FNDDTLUZBXXNFU-NRFANRHFSA-N 0 0 410.401 4.271 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H](O)COC(c1ccccc1)c1ccccc1)CC2 ZINC000446712173 870628583 /nfs/dbraw/zinc/62/85/83/870628583.db2.gz QEPUDLYJYDWPRQ-XMMPIXPASA-N 0 0 418.493 4.120 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000446716135 870633473 /nfs/dbraw/zinc/63/34/73/870633473.db2.gz XMWJUZKMPKOQCE-UHFFFAOYSA-N 0 0 422.828 4.113 20 5 HIBDRN C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(-c2cccnc2)cc1 ZINC000446786676 870704876 /nfs/dbraw/zinc/70/48/76/870704876.db2.gz PQHITNMGNUBPAD-INIZCTEOSA-N 0 0 402.454 4.486 20 5 HIBDRN O=C(Nc1cccc(OCc2cccnc2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446837150 870754658 /nfs/dbraw/zinc/75/46/58/870754658.db2.gz YFMZDUDGMDGBAQ-UHFFFAOYSA-N 0 0 404.426 4.159 20 5 HIBDRN Cc1nn(Cc2ccccc2Cl)c(C)c1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446840690 870758327 /nfs/dbraw/zinc/75/83/27/870758327.db2.gz HWJTWCVSYXZSPB-UHFFFAOYSA-N 0 0 424.892 4.276 20 5 HIBDRN CC(C)(CO)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccccc1 ZINC000446876968 870797087 /nfs/dbraw/zinc/79/70/87/870797087.db2.gz WJKPAYMYQRMFEQ-FQEVSTJZSA-N 0 0 411.502 4.045 20 5 HIBDRN Cc1ccc(Sc2ccc(CNc3ncn(CC(F)(F)F)n3)cc2[N+](=O)[O-])cc1 ZINC000446884592 870804965 /nfs/dbraw/zinc/80/49/65/870804965.db2.gz POFGRTJHMKVHDS-UHFFFAOYSA-N 0 0 423.420 4.820 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446901145 870819783 /nfs/dbraw/zinc/81/97/83/870819783.db2.gz AKPQTRUWWAEMAA-LBPRGKRZSA-N 0 0 416.507 4.262 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000446919373 870834799 /nfs/dbraw/zinc/83/47/99/870834799.db2.gz SJSFWXQJGYXVNO-UHFFFAOYSA-N 0 0 418.368 4.106 20 5 HIBDRN COc1cc(CN2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000446974395 870872595 /nfs/dbraw/zinc/87/25/95/870872595.db2.gz IKXSPHQETJPYGQ-JTQLQIEISA-N 0 0 416.318 4.319 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3F)s2)c1[N+](=O)[O-] ZINC000446993744 870882781 /nfs/dbraw/zinc/88/27/81/870882781.db2.gz LMSWPJNKVNTNPF-UHFFFAOYSA-N 0 0 421.429 4.157 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@]3(CC=CCC3)C2)c(C(F)(F)F)c1 ZINC000447023123 870898862 /nfs/dbraw/zinc/89/88/62/870898862.db2.gz JQCDNPGWGLVOGB-MRXNPFEDSA-N 0 0 404.410 4.125 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccsc2)c(C(F)(F)F)c1 ZINC000447040552 870917513 /nfs/dbraw/zinc/91/75/13/870917513.db2.gz VBEBBSPRDYYSED-CYBMUJFWSA-N 0 0 406.407 4.201 20 5 HIBDRN CSCc1cc(F)ccc1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000447075545 870959278 /nfs/dbraw/zinc/95/92/78/870959278.db2.gz DJZPDUFGISIGOC-UHFFFAOYSA-N 0 0 403.479 4.445 20 5 HIBDRN O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447078511 870965801 /nfs/dbraw/zinc/96/58/01/870965801.db2.gz PSEBKBRYRJJHDF-UHFFFAOYSA-N 0 0 413.327 4.265 20 5 HIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447080205 870967254 /nfs/dbraw/zinc/96/72/54/870967254.db2.gz ZQRZDRXOAXIMIZ-UHFFFAOYSA-N 0 0 406.446 4.024 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1C ZINC000447167730 871061494 /nfs/dbraw/zinc/06/14/94/871061494.db2.gz JPTKNWNOBKQBAV-UHFFFAOYSA-N 0 0 419.278 4.218 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)CC2 ZINC000447170509 871063186 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JKALVRGASQSDTI-UHFFFAOYSA-N 0 0 401.325 4.321 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC(F)(c2ccccc2)CC1 ZINC000447612250 871520318 /nfs/dbraw/zinc/52/03/18/871520318.db2.gz QFBXJWLSMDAQII-UHFFFAOYSA-N 0 0 409.417 4.009 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(CO)CC(c2ccccc2)C1 ZINC000447624117 871531524 /nfs/dbraw/zinc/53/15/24/871531524.db2.gz JHUFCZSQZQQVII-UHFFFAOYSA-N 0 0 414.527 4.383 20 5 HIBDRN Cc1c(Br)ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1F ZINC000447641013 871563463 /nfs/dbraw/zinc/56/34/63/871563463.db2.gz XWUJKTKMKJFFKJ-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN CN(Cc1ccc([S@@](C)=O)cc1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447674815 871606361 /nfs/dbraw/zinc/60/63/61/871606361.db2.gz HEJFYHZRDUFDCU-MUUNZHRXSA-N 0 0 423.363 4.018 20 5 HIBDRN CS(=O)(=O)c1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1C(F)(F)F ZINC000447679864 871611615 /nfs/dbraw/zinc/61/16/15/871611615.db2.gz MAZHOWYQVYWFOK-UHFFFAOYSA-N 0 0 408.785 4.283 20 5 HIBDRN COCC[C@H](Cc1ccco1)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447686554 871618944 /nfs/dbraw/zinc/61/89/44/871618944.db2.gz QXCQIPVUVNVITE-SNVBAGLBSA-N 0 0 409.311 4.297 20 5 HIBDRN CN(CCOCc1ccccc1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447692596 871628107 /nfs/dbraw/zinc/62/81/07/871628107.db2.gz GOWFKZUTWRNKDV-UHFFFAOYSA-N 0 0 405.323 4.297 20 5 HIBDRN Cc1ccc(Nc2ncc([N+](=O)[O-])cn2)cc1Oc1ncccc1Br ZINC000447803309 871738219 /nfs/dbraw/zinc/73/82/19/871738219.db2.gz RXGTVROIBRRDJP-UHFFFAOYSA-N 0 0 402.208 4.387 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000448104968 871950091 /nfs/dbraw/zinc/95/00/91/871950091.db2.gz MJHAEBFEVWRHFB-HXUWFJFHSA-N 0 0 405.479 4.256 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000448104967 871952090 /nfs/dbraw/zinc/95/20/90/871952090.db2.gz MJHAEBFEVWRHFB-FQEVSTJZSA-N 0 0 405.479 4.256 20 5 HIBDRN CCC(=O)N1CC[C@@H](C(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)C1 ZINC000448169946 872044784 /nfs/dbraw/zinc/04/47/84/872044784.db2.gz NTXGNXIBGGSZOV-MRXNPFEDSA-N 0 0 400.482 4.146 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000448187953 872068045 /nfs/dbraw/zinc/06/80/45/872068045.db2.gz GCXOYVOUUSHBKB-CQSZACIVSA-N 0 0 410.499 4.172 20 5 HIBDRN CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccc(-c2ccccc2)nn1 ZINC000448258126 872182062 /nfs/dbraw/zinc/18/20/62/872182062.db2.gz YHJQTWQOWUMGQM-UHFFFAOYSA-N 0 0 402.332 4.347 20 5 HIBDRN C[C@@H](CO)CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000448269312 872191663 /nfs/dbraw/zinc/19/16/63/872191663.db2.gz IHZZQCGGGONUDX-LLVKDONJSA-N 0 0 414.405 4.123 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(Br)c(Cl)c2)cc1[N+](=O)[O-] ZINC000448330294 872267662 /nfs/dbraw/zinc/26/76/62/872267662.db2.gz MGPRZBLVCADVMS-UHFFFAOYSA-N 0 0 414.643 4.341 20 5 HIBDRN Cc1nn(CCC(=O)Nc2sccc2C(=O)c2ccc(C)cc2)c(C)c1[N+](=O)[O-] ZINC000448451206 872396139 /nfs/dbraw/zinc/39/61/39/872396139.db2.gz DJIFWAUMBJLVLS-UHFFFAOYSA-N 0 0 412.471 4.038 20 5 HIBDRN CCCc1n[nH]c(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000448452583 872399634 /nfs/dbraw/zinc/39/96/34/872399634.db2.gz PBJZFJWFRVPSAY-UHFFFAOYSA-N 0 0 408.911 4.321 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c1 ZINC000460147010 872660809 /nfs/dbraw/zinc/66/08/09/872660809.db2.gz BSFWVZDLTZDEQF-UHFFFAOYSA-N 0 0 402.410 4.382 20 5 HIBDRN C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460167701 872719640 /nfs/dbraw/zinc/71/96/40/872719640.db2.gz IFCBNDLAZMJOCO-VOJFVSQTSA-N 0 0 421.316 4.499 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1 ZINC000460279908 872868841 /nfs/dbraw/zinc/86/88/41/872868841.db2.gz HSLCEFIRVUWEGI-UHFFFAOYSA-N 0 0 408.439 4.216 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c2ccc(F)cc2O1 ZINC000460295491 872886355 /nfs/dbraw/zinc/88/63/55/872886355.db2.gz IEFNCUGLOQBUPN-JTQLQIEISA-N 0 0 414.311 4.103 20 5 HIBDRN CCn1c([C@H]2COc3ccccc3O2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000460305654 872894346 /nfs/dbraw/zinc/89/43/46/872894346.db2.gz UOPRDZVPSVRFEW-HXUWFJFHSA-N 0 0 423.473 4.134 20 5 HIBDRN CO[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1 ZINC000460318857 872909226 /nfs/dbraw/zinc/90/92/26/872909226.db2.gz MKJPZCRXWLXZPH-KRWDZBQOSA-N 0 0 417.874 4.489 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](OC)c2ccc(Cl)cc2)cc1SC ZINC000460324509 872924096 /nfs/dbraw/zinc/92/40/96/872924096.db2.gz GBHITWKXCGMZGI-MRXNPFEDSA-N 0 0 410.879 4.096 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc3nccn32)cc1 ZINC000460334758 872940944 /nfs/dbraw/zinc/94/09/44/872940944.db2.gz ZEWNUAQHULMOOE-UHFFFAOYSA-N 0 0 404.382 4.296 20 5 HIBDRN O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000460342320 872955493 /nfs/dbraw/zinc/95/54/93/872955493.db2.gz ZUUNYQOZAYEZLI-UHFFFAOYSA-N 0 0 419.441 4.121 20 5 HIBDRN O=C(Cc1ccccc1Br)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460348156 872964820 /nfs/dbraw/zinc/96/48/20/872964820.db2.gz OOIVCYVSRVUHIP-KRWDZBQOSA-N 0 0 407.289 4.174 20 5 HIBDRN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460356989 872982220 /nfs/dbraw/zinc/98/22/20/872982220.db2.gz QJRBSYHOTRLFJH-ZMZPIMSZSA-N 0 0 410.854 4.429 20 5 HIBDRN Cc1csc(N(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000460378911 873017800 /nfs/dbraw/zinc/01/78/00/873017800.db2.gz OUIPGXASIAMOOU-CYBMUJFWSA-N 0 0 400.504 4.405 20 5 HIBDRN Cc1nnc(-c2cccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])c2)o1 ZINC000460384384 873026125 /nfs/dbraw/zinc/02/61/25/873026125.db2.gz GWCVXYXATWHKCA-UHFFFAOYSA-N 0 0 422.319 4.147 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N(CCCOc1ccccc1)C1CCOCC1 ZINC000468592967 882680044 /nfs/dbraw/zinc/68/00/44/882680044.db2.gz WWYHQMPOCGFILA-UHFFFAOYSA-N 0 0 423.469 4.166 20 5 HIBDRN COc1ccccc1-n1c2ccccc2nc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460402548 873052787 /nfs/dbraw/zinc/05/27/87/873052787.db2.gz PKHOKLJOPKICGL-UHFFFAOYSA-N 0 0 402.410 4.124 20 5 HIBDRN COc1cccc(-n2c(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)nc3ccccc32)c1 ZINC000460409252 873061077 /nfs/dbraw/zinc/06/10/77/873061077.db2.gz CYTLNFWMMQMRCM-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc([N+](=O)[O-])c1 ZINC000460446066 873115790 /nfs/dbraw/zinc/11/57/90/873115790.db2.gz GLYQQOPZIOWXBF-UHFFFAOYSA-N 0 0 402.378 4.094 20 5 HIBDRN C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000460445846 873116241 /nfs/dbraw/zinc/11/62/41/873116241.db2.gz UPGSBVAKMXSRLZ-VXGBXAGGSA-N 0 0 413.257 4.253 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](CC)Cc2ccc(C)cc2)cc1OC ZINC000460452369 873126957 /nfs/dbraw/zinc/12/69/57/873126957.db2.gz GSAKRATZJCTQDP-KRWDZBQOSA-N 0 0 400.475 4.404 20 5 HIBDRN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Oc1ccccc1Cl ZINC000460453247 873129200 /nfs/dbraw/zinc/12/92/00/873129200.db2.gz IFZNXMXNHGAWKP-SNVBAGLBSA-N 0 0 413.655 4.208 20 5 HIBDRN C[C@H](CCc1cccn1C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000460464797 873148639 /nfs/dbraw/zinc/14/86/39/873148639.db2.gz ACTIHPHIXSGFQS-IAGOWNOFSA-N 0 0 421.501 4.253 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000460473313 873158995 /nfs/dbraw/zinc/15/89/95/873158995.db2.gz RODABLALMZEGNN-LJQANCHMSA-N 0 0 402.834 4.209 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000460477413 873163545 /nfs/dbraw/zinc/16/35/45/873163545.db2.gz BRVFMVNYRQPXKZ-LJHODMEESA-N 0 0 417.893 4.035 20 5 HIBDRN O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000460484407 873170988 /nfs/dbraw/zinc/17/09/88/873170988.db2.gz XEXSWFYCQXHKEX-UHFFFAOYSA-N 0 0 424.417 4.054 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000460529081 873222172 /nfs/dbraw/zinc/22/21/72/873222172.db2.gz CXCXIMDUBVVBGE-QGZVFWFLSA-N 0 0 423.494 4.397 20 5 HIBDRN 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/nfs/dbraw/zinc/63/15/73/873631573.db2.gz NMXMJFSEZMPOKP-PWIZWCRZSA-N 0 0 413.522 4.295 20 5 HIBDRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000468622675 882743599 /nfs/dbraw/zinc/74/35/99/882743599.db2.gz QJMDMLDGQGOMEI-OAHLLOKOSA-N 0 0 422.441 4.267 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H](C)c1ccccc1 ZINC000460793870 873660875 /nfs/dbraw/zinc/66/08/75/873660875.db2.gz MMSIFOABSXGKGD-QGZVFWFLSA-N 0 0 409.490 4.477 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1CC(C)C ZINC000460798095 873667675 /nfs/dbraw/zinc/66/76/75/873667675.db2.gz LNOBKVIGBSNKGN-GOSISDBHSA-N 0 0 401.511 4.295 20 5 HIBDRN CCC(CC)(CNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000460889727 873801445 /nfs/dbraw/zinc/80/14/45/873801445.db2.gz PDJRBQQXABZMNG-UHFFFAOYSA-N 0 0 415.490 4.169 20 5 HIBDRN C[C@H](c1ccccc1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000460905826 873813912 /nfs/dbraw/zinc/81/39/12/873813912.db2.gz CHMFMZFXVIQNLX-OXQOHEQNSA-N 0 0 407.474 4.230 20 5 HIBDRN CCc1ncc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)s1 ZINC000460935566 873836444 /nfs/dbraw/zinc/83/64/44/873836444.db2.gz KFPOHZGPUNCQLO-UHFFFAOYSA-N 0 0 403.485 4.009 20 5 HIBDRN COCc1nc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cs1 ZINC000460961039 873857165 /nfs/dbraw/zinc/85/71/65/873857165.db2.gz GXLDRVDQBCFBCG-UHFFFAOYSA-N 0 0 415.496 4.279 20 5 HIBDRN C[C@@H]1CCCCCN1C(=O)c1cc(C(=O)N2CCCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000461020735 873888770 /nfs/dbraw/zinc/88/87/70/873888770.db2.gz CTPXEXYOWFQNFB-CALCHBBNSA-N 0 0 401.507 4.404 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1OCc1cncc(C(F)(F)F)c1 ZINC000461040313 873899529 /nfs/dbraw/zinc/89/95/29/873899529.db2.gz BQPYHSLFEQUHQO-UHFFFAOYSA-N 0 0 424.116 4.192 20 5 HIBDRN CCC(CC)(CNC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000461058503 873935084 /nfs/dbraw/zinc/93/50/84/873935084.db2.gz ACXXKKLDXQYWNC-UHFFFAOYSA-N 0 0 414.502 4.337 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000461099627 874018635 /nfs/dbraw/zinc/01/86/35/874018635.db2.gz FVHKXERNXMGUJM-UHFFFAOYSA-N 0 0 422.312 4.225 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000461110538 874032405 /nfs/dbraw/zinc/03/24/05/874032405.db2.gz FPZRQNYLFYFISU-HXUWFJFHSA-N 0 0 403.866 4.097 20 5 HIBDRN C[C@H](c1cccs1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 ZINC000461162788 874122911 /nfs/dbraw/zinc/12/29/11/874122911.db2.gz PAZOTFOZSVCXFP-RHSMWYFYSA-N 0 0 413.503 4.291 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@H]3C3CCCC3)n2C[C@@H]2CCCO2)cc1 ZINC000461176493 874154353 /nfs/dbraw/zinc/15/43/53/874154353.db2.gz XUCRURUFTJLUQU-VQTJNVASSA-N 0 0 411.506 4.191 20 5 HIBDRN Cc1ccc(N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(Br)c1 ZINC000461187152 874178657 /nfs/dbraw/zinc/17/86/57/874178657.db2.gz PTUBHOWMRSTNMQ-UHFFFAOYSA-N 0 0 413.293 4.108 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC(C)(C2CC2)CC1 ZINC000461192895 874187945 /nfs/dbraw/zinc/18/79/45/874187945.db2.gz LFMGDVKHHSZUJA-SFHVURJKSA-N 0 0 421.925 4.041 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461210370 874212017 /nfs/dbraw/zinc/21/20/17/874212017.db2.gz JYQRQHVHFYEISA-UHFFFAOYSA-N 0 0 408.376 4.231 20 5 HIBDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000461216294 874220438 /nfs/dbraw/zinc/22/04/38/874220438.db2.gz DXWVQBKIYBTCPE-UHFFFAOYSA-N 0 0 411.365 4.031 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000461299848 874304795 /nfs/dbraw/zinc/30/47/95/874304795.db2.gz WJRUMLWZVNAWKG-YADHBBJMSA-N 0 0 421.497 4.381 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccccn2)n1Cc1cccs1 ZINC000461304924 874311242 /nfs/dbraw/zinc/31/12/42/874311242.db2.gz FRXSKBVEXUMTRL-UHFFFAOYSA-N 0 0 420.498 4.037 20 5 HIBDRN CO[C@@H]1CCOc2c(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cccc21 ZINC000468690395 882814774 /nfs/dbraw/zinc/81/47/74/882814774.db2.gz YWPVEQTXTJNMTA-QGZVFWFLSA-N 0 0 411.439 4.441 20 5 HIBDRN CCC[C@H](C)[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461362177 874364657 /nfs/dbraw/zinc/36/46/57/874364657.db2.gz GHUVLAOPNFLOLV-ZWOKBUDYSA-N 0 0 413.522 4.295 20 5 HIBDRN CC(C)(C)C[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 ZINC000461367806 874370230 /nfs/dbraw/zinc/37/02/30/874370230.db2.gz UODFBZDQQSSLHX-VQIMIIECSA-N 0 0 413.522 4.295 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461382162 874387895 /nfs/dbraw/zinc/38/78/95/874387895.db2.gz AKJPARROBCLQMN-CABCVRRESA-N 0 0 407.253 4.426 20 5 HIBDRN O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461384269 874389788 /nfs/dbraw/zinc/38/97/88/874389788.db2.gz GBCAKGVVTAFTOT-UHFFFAOYSA-N 0 0 421.331 4.010 20 5 HIBDRN O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461395111 874402148 /nfs/dbraw/zinc/40/21/48/874402148.db2.gz BDAPKSILWLOCCU-UHFFFAOYSA-N 0 0 409.829 4.345 20 5 HIBDRN O=C(c1cccc(OCc2cccs2)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461408460 874421803 /nfs/dbraw/zinc/42/18/03/874421803.db2.gz SJMPDTZEKBCUKD-UHFFFAOYSA-N 0 0 410.451 4.270 20 5 HIBDRN CC[C@]1(c2ccc(NC/C(C)=C/c3cccc([N+](=O)[O-])c3)cc2)CCC(=O)NC1=O ZINC000468740866 882837466 /nfs/dbraw/zinc/83/74/66/882837466.db2.gz UFNYUMNVTKGVTM-HRNYAPDYSA-N 0 0 407.470 4.195 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000468733118 882833646 /nfs/dbraw/zinc/83/36/46/882833646.db2.gz GRWOVTBUPUCRBM-UHFFFAOYSA-N 0 0 412.423 4.043 20 5 HIBDRN Nc1c(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cccc1[N+](=O)[O-] ZINC000468734261 882834079 /nfs/dbraw/zinc/83/40/79/882834079.db2.gz PFHFXKDSAXDTPM-UHFFFAOYSA-N 0 0 416.890 4.460 20 5 HIBDRN CCC(C)(C)c1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 ZINC000468736906 882835968 /nfs/dbraw/zinc/83/59/68/882835968.db2.gz HHACRUYOCFCYLG-UHFFFAOYSA-N 0 0 409.442 4.188 20 5 HIBDRN COc1ncccc1CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000461469577 874526011 /nfs/dbraw/zinc/52/60/11/874526011.db2.gz LZLDISFVMUZTCD-UHFFFAOYSA-N 0 0 409.467 4.122 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N(Cc3ccccc3)C3CC3)n2C[C@@H]2CCOC2)cc1 ZINC000461513044 874591866 /nfs/dbraw/zinc/59/18/66/874591866.db2.gz IPTHKZHYJMVTTL-SFHVURJKSA-N 0 0 419.485 4.059 20 5 HIBDRN CCC[C@H](C)[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 ZINC000461561517 874655147 /nfs/dbraw/zinc/65/51/47/874655147.db2.gz FVRNPBPYANDVNL-SQGPQFPESA-N 0 0 413.522 4.295 20 5 HIBDRN C[C@H](c1cccs1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 ZINC000461576208 874680831 /nfs/dbraw/zinc/68/08/31/874680831.db2.gz YAYRENVNYNKFPJ-HUUCEWRRSA-N 0 0 413.503 4.149 20 5 HIBDRN Cc1cccc(N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)c1C ZINC000461584726 874695885 /nfs/dbraw/zinc/69/58/85/874695885.db2.gz ZBUCFRUXRFFUJM-KRWDZBQOSA-N 0 0 407.474 4.275 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3C3CCCC3)n2C[C@@H]2CCOC2)c1 ZINC000461590781 874708548 /nfs/dbraw/zinc/70/85/48/874708548.db2.gz CCDVNDBFQOYFQR-OXJNMPFZSA-N 0 0 411.506 4.049 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3C3CCCC3)n2C[C@H]2CCOC2)c1 ZINC000461590782 874708737 /nfs/dbraw/zinc/70/87/37/874708737.db2.gz CCDVNDBFQOYFQR-OXQOHEQNSA-N 0 0 411.506 4.049 20 5 HIBDRN Cc1cc2c(cc1C)N(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C[C@H]1CCOC1)CC2 ZINC000461614409 874759911 /nfs/dbraw/zinc/75/99/11/874759911.db2.gz RQBRWXWTDPSBIS-QGZVFWFLSA-N 0 0 419.485 4.201 20 5 HIBDRN C[S@@](=O)C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000461635851 874792694 /nfs/dbraw/zinc/79/26/94/874792694.db2.gz ICGHFMDQZNBQKF-PRAQEBQASA-N 0 0 423.494 4.188 20 5 HIBDRN CC(C)Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@@H]1CCCCO1 ZINC000461816489 874935723 /nfs/dbraw/zinc/93/57/23/874935723.db2.gz CSUDPHFMNONWLQ-FQEVSTJZSA-N 0 0 413.522 4.123 20 5 HIBDRN C[C@@H]1CC2(CCC2)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 ZINC000461835296 874969105 /nfs/dbraw/zinc/96/91/05/874969105.db2.gz RKYHGJUYSQLHSI-VQIMIIECSA-N 0 0 411.506 4.191 20 5 HIBDRN COc1cc(S(=O)(=O)N(C)Cc2ccccc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000468842690 882886613 /nfs/dbraw/zinc/88/66/13/882886613.db2.gz FYINWUZNDYTOIV-UHFFFAOYSA-N 0 0 412.467 4.091 20 5 HIBDRN Cn1cc(Nc2cccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)c2)cn1 ZINC000468849933 882889520 /nfs/dbraw/zinc/88/95/20/882889520.db2.gz FXZPWIFCVHRXOF-UHFFFAOYSA-N 0 0 420.454 4.448 20 5 HIBDRN Cc1cccc(F)c1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000461925495 875064453 /nfs/dbraw/zinc/06/44/53/875064453.db2.gz HSHTWKUFMWNAQL-MRXNPFEDSA-N 0 0 403.410 4.247 20 5 HIBDRN Cc1cc(N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c(F)cc1[N+](=O)[O-] ZINC000461969986 875093875 /nfs/dbraw/zinc/09/38/75/875093875.db2.gz VCJBOWQUTIKZDU-HNNXBMFYSA-N 0 0 400.454 4.472 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000462055628 875168436 /nfs/dbraw/zinc/16/84/36/875168436.db2.gz ITLJRBDSTWAWGK-UHFFFAOYSA-N 0 0 406.407 4.028 20 5 HIBDRN COc1cc(N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000462089426 875198162 /nfs/dbraw/zinc/19/81/62/875198162.db2.gz MENZXJJXYLNSFL-UHFFFAOYSA-N 0 0 417.771 4.351 20 5 HIBDRN C[C@H](CN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000462158702 875254221 /nfs/dbraw/zinc/25/42/21/875254221.db2.gz SYMFHAZYCAUVBR-LLVKDONJSA-N 0 0 403.287 4.326 20 5 HIBDRN CN(C1CCCCC1)S(=O)(=O)c1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000462203439 875311646 /nfs/dbraw/zinc/31/16/46/875311646.db2.gz KVLVDXNGRKFMCT-UHFFFAOYSA-N 0 0 409.533 4.222 20 5 HIBDRN C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Cl)c2ccccc21 ZINC000462207154 875315807 /nfs/dbraw/zinc/31/58/07/875315807.db2.gz FPKMSMOPMLRGLA-ZDUSSCGKSA-N 0 0 421.844 4.473 20 5 HIBDRN Cc1ccc(NCc2csc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000462218873 875326506 /nfs/dbraw/zinc/32/65/06/875326506.db2.gz KQGHKYZKXCQUHC-UHFFFAOYSA-N 0 0 409.533 4.142 20 5 HIBDRN COCCNC(=O)c1ccc(Cl)c(NCc2cc([N+](=O)[O-])ccc2OC(C)C)c1 ZINC000462219729 875328095 /nfs/dbraw/zinc/32/80/95/875328095.db2.gz ARCRDSXMZJXAML-UHFFFAOYSA-N 0 0 421.881 4.024 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1cccc(C(=O)N2CCSCC2)c1 ZINC000462233595 875345006 /nfs/dbraw/zinc/34/50/06/875345006.db2.gz DIRDWSNATXEDGQ-UHFFFAOYSA-N 0 0 415.515 4.183 20 5 HIBDRN CCCOc1ccc(Br)cc1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000462342290 875457285 /nfs/dbraw/zinc/45/72/85/875457285.db2.gz AUBMSXYWLGLZAJ-UHFFFAOYSA-N 0 0 406.280 4.099 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000462400072 875508715 /nfs/dbraw/zinc/50/87/15/875508715.db2.gz FRSAVIIWGJWFEL-CYBMUJFWSA-N 0 0 423.318 4.014 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000462421019 875527460 /nfs/dbraw/zinc/52/74/60/875527460.db2.gz NQLIESZIQFZENM-OAQYLSRUSA-N 0 0 420.513 4.342 20 5 HIBDRN COc1ccc([C@@H](C)N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462452262 875558417 /nfs/dbraw/zinc/55/84/17/875558417.db2.gz NMXBHJLAOMHQAI-SNVBAGLBSA-N 0 0 419.286 4.292 20 5 HIBDRN Cc1ccccc1C1CC(N(C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000462490264 875600049 /nfs/dbraw/zinc/60/00/49/875600049.db2.gz BHZIVJFHEJAEIF-UHFFFAOYSA-N 0 0 404.463 4.142 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000462492929 875603713 /nfs/dbraw/zinc/60/37/13/875603713.db2.gz HGSVTKNOXQPDJZ-JTSKRJEESA-N 0 0 424.476 4.284 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1nc2ccccc2n1C ZINC000462495766 875608295 /nfs/dbraw/zinc/60/82/95/875608295.db2.gz QMTZVRXGOAEIDX-UWJYYQICSA-N 0 0 406.486 4.414 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000462495652 875609053 /nfs/dbraw/zinc/60/90/53/875609053.db2.gz MCGOYSHAWHRUFI-UHFFFAOYSA-N 0 0 411.483 4.176 20 5 HIBDRN Cc1ccccc1C1CC(N(C2CC2)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000462497230 875610556 /nfs/dbraw/zinc/61/05/56/875610556.db2.gz YJQORLXAEYFHHS-UHFFFAOYSA-N 0 0 400.500 4.311 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462563261 875690569 /nfs/dbraw/zinc/69/05/69/875690569.db2.gz VJCKSKBOCAKKJH-UHFFFAOYSA-N 0 0 415.409 4.053 20 5 HIBDRN Cc1cc(NC(=O)c2ccccc2OCc2cscn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462578645 875700860 /nfs/dbraw/zinc/70/08/60/875700860.db2.gz JQLHVEACBROFOI-UHFFFAOYSA-N 0 0 420.450 4.161 20 5 HIBDRN Cc1cc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462584887 875704103 /nfs/dbraw/zinc/70/41/03/875704103.db2.gz PFTQGJLFMVSNOS-UHFFFAOYSA-N 0 0 420.400 4.239 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccccn1)c1ccccc1OC ZINC000462608814 875722198 /nfs/dbraw/zinc/72/21/98/875722198.db2.gz AKRAJMRMMLMNLT-FDDCHVKYSA-N 0 0 419.481 4.473 20 5 HIBDRN CCO[C@H](C)c1nc(CN(C)C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000462612968 875725254 /nfs/dbraw/zinc/72/52/54/875725254.db2.gz HLXFYXDEDDLBCU-ZBFHGGJFSA-N 0 0 405.520 4.376 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)CC(=O)Nc1c(C)cccc1C ZINC000462621227 875733368 /nfs/dbraw/zinc/73/33/68/875733368.db2.gz STLMMKZSGODMHF-IBGZPJMESA-N 0 0 411.502 4.268 20 5 HIBDRN CCCC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)OC(C)(C)C ZINC000462629349 875741858 /nfs/dbraw/zinc/74/18/58/875741858.db2.gz FRRMBIGQVODNQM-IBGZPJMESA-N 0 0 422.525 4.171 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)c1ccccc1S(=O)(=O)CC ZINC000462646740 875756589 /nfs/dbraw/zinc/75/65/89/875756589.db2.gz XBUDYFWYOTWLBH-QGZVFWFLSA-N 0 0 418.515 4.010 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCC(F)(F)[C@@H](CO)C3)cc2[N+](=O)[O-])cc1 ZINC000462686745 875778549 /nfs/dbraw/zinc/77/85/49/875778549.db2.gz YCSYKAWJYOTOOL-OAHLLOKOSA-N 0 0 422.453 4.144 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)NCc1cc(F)cc(F)c1 ZINC000462689669 875781636 /nfs/dbraw/zinc/78/16/36/875781636.db2.gz FHKJVBAIMSASCP-UHFFFAOYSA-N 0 0 404.394 4.297 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000462705636 875790932 /nfs/dbraw/zinc/79/09/32/875790932.db2.gz MVQGGAGKNVBHEL-RDTXWAMCSA-N 0 0 424.906 4.016 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000462770730 875830495 /nfs/dbraw/zinc/83/04/95/875830495.db2.gz YEQMGPNOFWOFFJ-DYESRHJHSA-N 0 0 400.450 4.211 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000462781848 875835963 /nfs/dbraw/zinc/83/59/63/875835963.db2.gz ZQYYGEDZVFOUHP-UHFFFAOYSA-N 0 0 411.289 4.203 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000462782095 875837518 /nfs/dbraw/zinc/83/75/18/875837518.db2.gz YBDAVAARLWVRBZ-GFCCVEGCSA-N 0 0 421.400 4.027 20 5 HIBDRN COc1cc(NC[C@H]2CCN(c3cccc(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000462790312 875843032 /nfs/dbraw/zinc/84/30/32/875843032.db2.gz UHQROHOEFMKFJH-CYBMUJFWSA-N 0 0 406.280 4.304 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1OC(F)F ZINC000462791193 875843137 /nfs/dbraw/zinc/84/31/37/875843137.db2.gz RHWNMNMQWVVAPV-GFCCVEGCSA-N 0 0 422.306 4.067 20 5 HIBDRN O=C(Nc1cccc(F)c1)C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000462802102 875849929 /nfs/dbraw/zinc/84/99/29/875849929.db2.gz LYCNSLGNBQXTHF-UHFFFAOYSA-N 0 0 409.364 4.190 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CCc2cccc(Br)c2)c1 ZINC000462849099 875883311 /nfs/dbraw/zinc/88/33/11/875883311.db2.gz BGWWDINODWXMDY-UHFFFAOYSA-N 0 0 407.264 4.071 20 5 HIBDRN CN(CCc1cccc(Br)c1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000462865411 875896380 /nfs/dbraw/zinc/89/63/80/875896380.db2.gz ZICJOLWPVMKTPL-UHFFFAOYSA-N 0 0 405.292 4.336 20 5 HIBDRN CCOC(=O)c1ccnc(Sc2cc(Br)ccc2OC)c1[N+](=O)[O-] ZINC000462869763 875898936 /nfs/dbraw/zinc/89/89/36/875898936.db2.gz IDWIOLBRDVVAGP-UHFFFAOYSA-N 0 0 413.249 4.089 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000462885957 875913795 /nfs/dbraw/zinc/91/37/95/875913795.db2.gz CJOSMRVNFAGKLG-CYBMUJFWSA-N 0 0 423.391 4.259 20 5 HIBDRN CNc1c(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cccc1[N+](=O)[O-] ZINC000462904385 875930036 /nfs/dbraw/zinc/93/00/36/875930036.db2.gz UIEYBUCXEHVBDW-UHFFFAOYSA-N 0 0 424.436 4.013 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](O)C2(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000462916335 875942788 /nfs/dbraw/zinc/94/27/88/875942788.db2.gz CMCHPISDRNNABN-SFHVURJKSA-N 0 0 420.849 4.035 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000462925083 875954214 /nfs/dbraw/zinc/95/42/14/875954214.db2.gz UHTQJOLKSVEYPQ-XUZZJYLKSA-N 0 0 410.514 4.007 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000462926822 875955601 /nfs/dbraw/zinc/95/56/01/875955601.db2.gz RBCZVHICVCUMFS-QGZVFWFLSA-N 0 0 410.474 4.430 20 5 HIBDRN CC1(C)[C@H](O)CCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000462930637 875958922 /nfs/dbraw/zinc/95/89/22/875958922.db2.gz KDELSGTTYMFXDT-QGZVFWFLSA-N 0 0 406.891 4.385 20 5 HIBDRN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Oc1cccc(Br)c1 ZINC000462934847 875961411 /nfs/dbraw/zinc/96/14/11/875961411.db2.gz FGEZHARATBLYNI-NSHDSACASA-N 0 0 420.263 4.121 20 5 HIBDRN CC(C)c1noc(-c2ccnc(N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c2)n1 ZINC000462944164 875966661 /nfs/dbraw/zinc/96/66/61/875966661.db2.gz YAGGJQUPFBYCFU-UHFFFAOYSA-N 0 0 409.446 4.211 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000462968327 875983372 /nfs/dbraw/zinc/98/33/72/875983372.db2.gz KSOURXJDTXTJMO-JOCHJYFZSA-N 0 0 414.527 4.263 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000462983320 875994842 /nfs/dbraw/zinc/99/48/42/875994842.db2.gz AXAFMOAPJHCREB-IBGZPJMESA-N 0 0 418.497 4.061 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000462983321 875995456 /nfs/dbraw/zinc/99/54/56/875995456.db2.gz AXAFMOAPJHCREB-LJQANCHMSA-N 0 0 418.497 4.061 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000468928466 882990695 /nfs/dbraw/zinc/99/06/95/882990695.db2.gz JUJUFMASVOLHQZ-JSGCOSHPSA-N 0 0 421.881 4.409 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cs1 ZINC000463070207 876100187 /nfs/dbraw/zinc/10/01/87/876100187.db2.gz DFVJAEHDTLHRPJ-AWEZNQCLSA-N 0 0 418.519 4.021 20 5 HIBDRN Cc1ccc(CC[C@@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)o1 ZINC000463072230 876102654 /nfs/dbraw/zinc/10/26/54/876102654.db2.gz DAUKTONYDGTQFE-GFCCVEGCSA-N 0 0 402.838 4.129 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000463082871 876114689 /nfs/dbraw/zinc/11/46/89/876114689.db2.gz FPBSHMSXCODVKG-CYFREDJKSA-N 0 0 412.489 4.191 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000463082349 876114770 /nfs/dbraw/zinc/11/47/70/876114770.db2.gz CKHJFMCBCLTATB-CXAGYDPISA-N 0 0 405.248 4.007 20 5 HIBDRN C[C@H](c1ccsc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000463085386 876116407 /nfs/dbraw/zinc/11/64/07/876116407.db2.gz PZVYFFWXKRZYQD-GFCCVEGCSA-N 0 0 413.421 4.194 20 5 HIBDRN CN(C)C(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl ZINC000463101821 876136125 /nfs/dbraw/zinc/13/61/25/876136125.db2.gz LQISCPOGESFDTP-UHFFFAOYSA-N 0 0 415.755 4.221 20 5 HIBDRN COc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC(F)F ZINC000463102348 876138221 /nfs/dbraw/zinc/13/82/21/876138221.db2.gz PXYSQKOCLJAARB-UHFFFAOYSA-N 0 0 420.290 4.154 20 5 HIBDRN CN(Cc1ccc(Br)o1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463114241 876153225 /nfs/dbraw/zinc/15/32/25/876153225.db2.gz HDBNFHRDYUOCMJ-UHFFFAOYSA-N 0 0 407.142 4.241 20 5 HIBDRN CC(=O)Nc1nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2s1 ZINC000463114291 876154808 /nfs/dbraw/zinc/15/48/08/876154808.db2.gz FDHLXXKFNTYHKV-UHFFFAOYSA-N 0 0 424.360 4.434 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1N1CCCC1=O ZINC000463115898 876156615 /nfs/dbraw/zinc/15/66/15/876156615.db2.gz NOWIKYCBKHOJOI-UHFFFAOYSA-N 0 0 423.347 4.001 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000463126171 876169308 /nfs/dbraw/zinc/16/93/08/876169308.db2.gz YVVRHIICDAMOPL-UHFFFAOYSA-N 0 0 412.364 4.419 20 5 HIBDRN Cc1cc(CSc2ncccc2C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)no1 ZINC000463131099 876177064 /nfs/dbraw/zinc/17/70/64/876177064.db2.gz IQKXWFBBFZKATP-UHFFFAOYSA-N 0 0 421.438 4.379 20 5 HIBDRN O=C(NCc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463175389 876230838 /nfs/dbraw/zinc/23/08/38/876230838.db2.gz BGKWOIYGUFBDCI-UHFFFAOYSA-N 0 0 403.154 4.306 20 5 HIBDRN CC(C)c1[nH]nc(-c2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)c1[N+](=O)[O-] ZINC000463179497 876236010 /nfs/dbraw/zinc/23/60/10/876236010.db2.gz DODGCQXONUJBJO-UHFFFAOYSA-N 0 0 422.430 4.158 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(-c2ncsc2Cl)no1 ZINC000463179852 876237111 /nfs/dbraw/zinc/23/71/11/876237111.db2.gz ALUHWXSIBRQDOB-UHFFFAOYSA-N 0 0 419.772 4.428 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(c2cccc(Cl)c2)CC1 ZINC000463248218 876304949 /nfs/dbraw/zinc/30/49/49/876304949.db2.gz NDYFYYYHERAJNY-UHFFFAOYSA-N 0 0 413.783 4.229 20 5 HIBDRN C[C@@H](C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cccc(Br)c1 ZINC000463286967 876346817 /nfs/dbraw/zinc/34/68/17/876346817.db2.gz WSMWIAJCAOTMDI-LLVKDONJSA-N 0 0 421.247 4.261 20 5 HIBDRN CN(CC(=O)N1CCC[C@H]1c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000463292026 876351784 /nfs/dbraw/zinc/35/17/84/876351784.db2.gz ZETWOMPGNWJQAL-INIZCTEOSA-N 0 0 418.291 4.157 20 5 HIBDRN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463315483 876373551 /nfs/dbraw/zinc/37/35/51/876373551.db2.gz PAILRILTOBUPMC-OAHLLOKOSA-N 0 0 410.348 4.424 20 5 HIBDRN CN(CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000463342683 876398497 /nfs/dbraw/zinc/39/84/97/876398497.db2.gz JGIWVSARTLDIFU-UHFFFAOYSA-N 0 0 419.441 4.314 20 5 HIBDRN Cc1cc(Br)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000463371867 876426550 /nfs/dbraw/zinc/42/65/50/876426550.db2.gz XSUSVNYVQQZBNL-UHFFFAOYSA-N 0 0 409.627 4.448 20 5 HIBDRN Cc1cc(Br)cc(Cl)c1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000463376755 876432871 /nfs/dbraw/zinc/43/28/71/876432871.db2.gz RURRDYZEUXYYRT-UHFFFAOYSA-N 0 0 419.684 4.261 20 5 HIBDRN Cc1cccc(S(=O)(=O)CCCOc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000463427870 876482162 /nfs/dbraw/zinc/48/21/62/876482162.db2.gz HYFHJNNPKDCETK-UHFFFAOYSA-N 0 0 403.378 4.165 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000463428171 876482285 /nfs/dbraw/zinc/48/22/85/876482285.db2.gz XKRCINREJFMEPP-NSHDSACASA-N 0 0 411.792 4.315 20 5 HIBDRN CCOc1cc2c(cc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000463428420 876484410 /nfs/dbraw/zinc/48/44/10/876484410.db2.gz FXBQHIGNRIJGBQ-NSHDSACASA-N 0 0 424.375 4.266 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000463503173 876563890 /nfs/dbraw/zinc/56/38/90/876563890.db2.gz SHRKATVSLNSJAY-UHFFFAOYSA-N 0 0 401.728 4.478 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000468979285 883044923 /nfs/dbraw/zinc/04/49/23/883044923.db2.gz OHXHLDJTOPDCIN-UHFFFAOYSA-N 0 0 402.397 4.348 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3c(Cl)ccc(F)c32)c2ncccc12 ZINC000463535151 876613722 /nfs/dbraw/zinc/61/37/22/876613722.db2.gz YGPOBPVTRJZFJE-UHFFFAOYSA-N 0 0 421.837 4.077 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2C(=O)COc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000463580088 876679971 /nfs/dbraw/zinc/67/99/71/876679971.db2.gz UZYFCDXBPIGWDF-SFHVURJKSA-N 0 0 402.422 4.265 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000463616221 876735850 /nfs/dbraw/zinc/73/58/50/876735850.db2.gz ZUFGYRZALCRCLW-KRWDZBQOSA-N 0 0 421.856 4.456 20 5 HIBDRN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463628442 876746807 /nfs/dbraw/zinc/74/68/07/876746807.db2.gz YUOOMSPVERTSFC-UHFFFAOYSA-N 0 0 421.375 4.378 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000468999180 883065314 /nfs/dbraw/zinc/06/53/14/883065314.db2.gz NYNOXPOKNSAIEZ-NWDGAFQWSA-N 0 0 422.279 4.044 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000463680928 876803391 /nfs/dbraw/zinc/80/33/91/876803391.db2.gz BZOWAVAZTVDKAA-UHFFFAOYSA-N 0 0 405.458 4.159 20 5 HIBDRN COc1cc(CNCc2ccc(OCc3ccccc3F)cc2)c([N+](=O)[O-])cc1O ZINC000463708867 876827767 /nfs/dbraw/zinc/82/77/67/876827767.db2.gz CGTRZWOPPUAPFL-UHFFFAOYSA-N 0 0 412.417 4.317 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1cccc(C2CCC2)c1 ZINC000463765590 876887839 /nfs/dbraw/zinc/88/78/39/876887839.db2.gz BSNRHFBAYWKDLQ-UHFFFAOYSA-N 0 0 421.375 4.136 20 5 HIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(CCCOc1ccccc1)C1CCOCC1 ZINC000463855417 876977196 /nfs/dbraw/zinc/97/71/96/876977196.db2.gz CGUHPPMVEZOAIZ-UHFFFAOYSA-N 0 0 418.877 4.339 20 5 HIBDRN CCc1ccc(C(=O)N(CCCOc2ccccc2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000463887229 877009349 /nfs/dbraw/zinc/00/93/49/877009349.db2.gz IEYNXBYPYIXUBT-UHFFFAOYSA-N 0 0 412.486 4.248 20 5 HIBDRN COc1cc(C(=O)NCC(C)(C)OC)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000463912981 877034465 /nfs/dbraw/zinc/03/44/65/877034465.db2.gz VHZDEEMNSHISSV-UHFFFAOYSA-N 0 0 408.838 4.204 20 5 HIBDRN C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Oc1ccccc1F ZINC000463931878 877052136 /nfs/dbraw/zinc/05/21/36/877052136.db2.gz CIZASPCTEJMNFG-GFCCVEGCSA-N 0 0 401.419 4.055 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCCOc1ccccc1)C1CCOCC1 ZINC000463939920 877061143 /nfs/dbraw/zinc/06/11/43/877061143.db2.gz CIHNQBCPFLWZNJ-UHFFFAOYSA-N 0 0 413.474 4.385 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000463947531 877067780 /nfs/dbraw/zinc/06/77/80/877067780.db2.gz GTHGWBOAUGGTJO-SFHVURJKSA-N 0 0 421.400 4.418 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1nccn1CCCc1ccccc1 ZINC000463952707 877075662 /nfs/dbraw/zinc/07/56/62/877075662.db2.gz FNSUPPQDFOBSJX-UHFFFAOYSA-N 0 0 407.474 4.363 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000463956793 877080153 /nfs/dbraw/zinc/08/01/53/877080153.db2.gz BGHHIDGHFYIXGM-QGZVFWFLSA-N 0 0 416.865 4.134 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n(-c2ccccc2)n1 ZINC000463966002 877091040 /nfs/dbraw/zinc/09/10/40/877091040.db2.gz GTGXALDKMVFUNB-MRXNPFEDSA-N 0 0 407.474 4.458 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n(-c2ccccc2)n1 ZINC000463966001 877091216 /nfs/dbraw/zinc/09/12/16/877091216.db2.gz GTGXALDKMVFUNB-INIZCTEOSA-N 0 0 407.474 4.458 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000464002520 877137493 /nfs/dbraw/zinc/13/74/93/877137493.db2.gz ICAHNUNLLILPCN-GOSISDBHSA-N 0 0 401.438 4.193 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000464015814 877149891 /nfs/dbraw/zinc/14/98/91/877149891.db2.gz ZAEAFYOMZXCVNS-LBPRGKRZSA-N 0 0 409.364 4.046 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000464033633 877171117 /nfs/dbraw/zinc/17/11/17/877171117.db2.gz SAQYUFDWCBOLMK-UHFFFAOYSA-N 0 0 421.856 4.037 20 5 HIBDRN Cc1ccc(NCCCNC(=O)c2cc3c(C(C)C)nn(C)c3s2)c([N+](=O)[O-])c1 ZINC000464068678 877216851 /nfs/dbraw/zinc/21/68/51/877216851.db2.gz NAJQOQJOSXHGFT-UHFFFAOYSA-N 0 0 415.519 4.207 20 5 HIBDRN CSc1cccc([C@@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])c2cc(F)ccc2F)c1 ZINC000464111719 877266355 /nfs/dbraw/zinc/26/63/55/877266355.db2.gz YABHNWCOGWQQBJ-MRXNPFEDSA-N 0 0 418.425 4.146 20 5 HIBDRN CSc1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)c2ccc(F)c(F)c2)c1 ZINC000464133582 877292270 /nfs/dbraw/zinc/29/22/70/877292270.db2.gz NADHJJHKSSHTSE-GOSISDBHSA-N 0 0 403.410 4.442 20 5 HIBDRN Cc1cc(NC(=O)c2c(Cl)cccc2I)ccc1[N+](=O)[O-] ZINC000464154154 877323600 /nfs/dbraw/zinc/32/36/00/877323600.db2.gz UMKCJRPQMRXJLO-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)cc1[N+](=O)[O-] ZINC000464235653 877411610 /nfs/dbraw/zinc/41/16/10/877411610.db2.gz XOQWRXHSGHGBRC-NSHDSACASA-N 0 0 415.243 4.386 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@@H](C)Sc2ccccc2)cc1[N+](=O)[O-] ZINC000464272926 877457663 /nfs/dbraw/zinc/45/76/63/877457663.db2.gz MKNVTMBDXLDYKO-CQSZACIVSA-N 0 0 406.529 4.134 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCc2c1cccc2-c1ccccc1 ZINC000464343213 877534625 /nfs/dbraw/zinc/53/46/25/877534625.db2.gz QBZLSNWKVVJWKP-UHFFFAOYSA-N 0 0 411.421 4.045 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000464413563 877619998 /nfs/dbraw/zinc/61/99/98/877619998.db2.gz ZEUCVUIZMTVJER-RDTXWAMCSA-N 0 0 413.522 4.063 20 5 HIBDRN CN([C@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000464423892 877634966 /nfs/dbraw/zinc/63/49/66/877634966.db2.gz DRCJIPXXCIAHMS-GFCCVEGCSA-N 0 0 414.814 4.234 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2nc3c(cccc3Cl)n2C)cc1[N+](=O)[O-] ZINC000464460359 877680740 /nfs/dbraw/zinc/68/07/40/877680740.db2.gz KTXMPBZFZJHDKE-UHFFFAOYSA-N 0 0 420.878 4.015 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c(C)oc2ccccc21 ZINC000464466464 877689317 /nfs/dbraw/zinc/68/93/17/877689317.db2.gz WGRUPRDMTBMYFV-UHFFFAOYSA-N 0 0 414.483 4.360 20 5 HIBDRN COC(=O)[C@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000464497977 877718115 /nfs/dbraw/zinc/71/81/15/877718115.db2.gz ZWHUGXXLOJCFRI-MRXNPFEDSA-N 0 0 417.220 4.053 20 5 HIBDRN CC(C)OC(=O)CCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000464556681 877772957 /nfs/dbraw/zinc/77/29/57/877772957.db2.gz SLONPVDGTGFGDJ-UHFFFAOYSA-N 0 0 422.890 4.471 20 5 HIBDRN CO[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000464586084 877811112 /nfs/dbraw/zinc/81/11/12/877811112.db2.gz OUIGWEWVDTXQOH-OAHLLOKOSA-N 0 0 402.756 4.385 20 5 HIBDRN Cc1cccc([C@H]2CCCCN2C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000464588110 877813353 /nfs/dbraw/zinc/81/33/53/877813353.db2.gz UWIFWGOYCSLBHG-DYESRHJHSA-N 0 0 409.486 4.084 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000464622715 877842192 /nfs/dbraw/zinc/84/21/92/877842192.db2.gz AKPWWTLMQCHHIM-CYBMUJFWSA-N 0 0 424.906 4.074 20 5 HIBDRN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464634382 877851185 /nfs/dbraw/zinc/85/11/85/877851185.db2.gz CLKROBSIPWZODA-CQSZACIVSA-N 0 0 404.850 4.086 20 5 HIBDRN C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2cc(Cl)ccc2O1 ZINC000464635049 877852559 /nfs/dbraw/zinc/85/25/59/877852559.db2.gz BQEWZPOBEYOKJU-CQSZACIVSA-N 0 0 415.877 4.279 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464639274 877856386 /nfs/dbraw/zinc/85/63/86/877856386.db2.gz SXCZHUZUEPGZCD-DLBZAZTESA-N 0 0 402.397 4.047 20 5 HIBDRN Cc1ccc(-c2ocnc2C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464645854 877864590 /nfs/dbraw/zinc/86/45/90/877864590.db2.gz VVKGJRHGIHBYIS-UHFFFAOYSA-N 0 0 407.426 4.242 20 5 HIBDRN CC1(C)CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000464653369 877873816 /nfs/dbraw/zinc/87/38/16/877873816.db2.gz PWGLWFWJIGWFPR-NHCUHLMSSA-N 0 0 410.470 4.203 20 5 HIBDRN C[C@@H](SCc1ccccc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464660653 877881621 /nfs/dbraw/zinc/88/16/21/877881621.db2.gz IRUUCNARDUJTNT-MRXNPFEDSA-N 0 0 400.500 4.287 20 5 HIBDRN Cc1nc(C(C)(C)C)sc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464661580 877882610 /nfs/dbraw/zinc/88/26/10/877882610.db2.gz JPGZGUDRCQIPJP-UHFFFAOYSA-N 0 0 403.504 4.341 20 5 HIBDRN O=C([C@H]1C[C@H]1c1ccccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464663021 877883388 /nfs/dbraw/zinc/88/33/88/877883388.db2.gz VFPOJCZATYIYOK-OALUTQOASA-N 0 0 400.862 4.422 20 5 HIBDRN CCc1ccc(C(=O)CCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464663954 877884395 /nfs/dbraw/zinc/88/43/95/877884395.db2.gz QHAWZQDETRMJOT-UHFFFAOYSA-N 0 0 410.470 4.190 20 5 HIBDRN CC(C)c1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n(-c2ccccc2)n1 ZINC000464666675 877886731 /nfs/dbraw/zinc/88/67/31/877886731.db2.gz IFSFZFUPLRPYLN-UHFFFAOYSA-N 0 0 416.441 4.342 20 5 HIBDRN Cc1cc(O[C@@H](C)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl ZINC000464668517 877888187 /nfs/dbraw/zinc/88/81/87/877888187.db2.gz MGTFLHSHWFCADX-HNNXBMFYSA-N 0 0 418.877 4.394 20 5 HIBDRN Cc1cc(=O)c(C(=O)N2CCCC3(C2)CCCCCC3)nn1-c1ccccc1[N+](=O)[O-] ZINC000464674468 877892576 /nfs/dbraw/zinc/89/25/76/877892576.db2.gz BEUKZHYURRNSLH-UHFFFAOYSA-N 0 0 424.501 4.026 20 5 HIBDRN CCOc1cc(C(=O)NCC(CC)(CC)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000464682911 877898211 /nfs/dbraw/zinc/89/82/11/877898211.db2.gz KHFXYLKRYRRRDW-UHFFFAOYSA-N 0 0 400.475 4.490 20 5 HIBDRN C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)Oc1cccc(Br)c1 ZINC000464691415 877904976 /nfs/dbraw/zinc/90/49/76/877904976.db2.gz OFBKBSAHQYXTNH-LLVKDONJSA-N 0 0 418.247 4.036 20 5 HIBDRN COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000464706864 877928633 /nfs/dbraw/zinc/92/86/33/877928633.db2.gz AWENKRCXGGIILD-HXUWFJFHSA-N 0 0 406.438 4.326 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000464705893 877928833 /nfs/dbraw/zinc/92/88/33/877928833.db2.gz CSHFDFKAEIWRNH-UHFFFAOYSA-N 0 0 423.326 4.148 20 5 HIBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464764829 878007032 /nfs/dbraw/zinc/00/70/32/878007032.db2.gz ITSAEMZIDMTSJV-JKSUJKDBSA-N 0 0 401.894 4.085 20 5 HIBDRN CC1CCC(N(C(=O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C2CC2)CC1 ZINC000464775210 878017206 /nfs/dbraw/zinc/01/72/06/878017206.db2.gz LZHBLDOWWUQJNK-UHFFFAOYSA-N 0 0 415.534 4.008 20 5 HIBDRN O=[N+]([O-])c1ccc(OC2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)cc1 ZINC000464782634 878028330 /nfs/dbraw/zinc/02/83/30/878028330.db2.gz YXFHTHFEYVOISK-UHFFFAOYSA-N 0 0 414.849 4.342 20 5 HIBDRN CCOc1cccc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1OC(F)F ZINC000464810411 878060985 /nfs/dbraw/zinc/06/09/85/878060985.db2.gz OUKNGDFKXKESAU-GFCCVEGCSA-N 0 0 409.389 4.155 20 5 HIBDRN Cc1nc(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)oc1-c1ccc(Cl)cc1 ZINC000464898293 878204252 /nfs/dbraw/zinc/20/42/52/878204252.db2.gz XZDIMIMEFHKBMD-UHFFFAOYSA-N 0 0 412.789 4.077 20 5 HIBDRN COc1cccc(-c2noc([C@H](C)NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)c1 ZINC000464924608 878248744 /nfs/dbraw/zinc/24/87/44/878248744.db2.gz VTHUGMXZDAKSCZ-ZDUSSCGKSA-N 0 0 424.457 4.442 20 5 HIBDRN C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-n2cccn2)cc1 ZINC000464988751 878339552 /nfs/dbraw/zinc/33/95/52/878339552.db2.gz WPEFCYNRSQMJLA-AWEZNQCLSA-N 0 0 419.466 4.395 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2cc(C)ccc2OC(F)F)cc1SC ZINC000465004425 878359219 /nfs/dbraw/zinc/35/92/19/878359219.db2.gz WOOJXBBSJNNSAU-UHFFFAOYSA-N 0 0 412.414 4.165 20 5 HIBDRN CCOc1cccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1OC(F)F ZINC000465023808 878388933 /nfs/dbraw/zinc/38/89/33/878388933.db2.gz PCWDNDXAPGEITD-UHFFFAOYSA-N 0 0 400.765 4.178 20 5 HIBDRN CSc1cc(C)ccc1CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000465093785 878460902 /nfs/dbraw/zinc/46/09/02/878460902.db2.gz XSBFEWPRJPLLOW-UHFFFAOYSA-N 0 0 424.526 4.417 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccccc1CCC(F)(F)F ZINC000465113343 878491647 /nfs/dbraw/zinc/49/16/47/878491647.db2.gz OAWBEESHDAJNER-UHFFFAOYSA-N 0 0 410.348 4.042 20 5 HIBDRN CCSc1ccc(Cl)cc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465133657 878514669 /nfs/dbraw/zinc/51/46/69/878514669.db2.gz YCNPGLLTAKBUCP-UHFFFAOYSA-N 0 0 408.863 4.313 20 5 HIBDRN CCO[C@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)C1=CCCC1 ZINC000465138529 878519847 /nfs/dbraw/zinc/51/98/47/878519847.db2.gz KVJSSJXAFIXTJB-QGZVFWFLSA-N 0 0 400.397 4.391 20 5 HIBDRN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000465142343 878523118 /nfs/dbraw/zinc/52/31/18/878523118.db2.gz XZYZVFTUQQCRQR-HJPURHCSSA-N 0 0 410.470 4.217 20 5 HIBDRN Cc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])co2)cc1 ZINC000465185078 878575199 /nfs/dbraw/zinc/57/51/99/878575199.db2.gz DFQYAAMPIKOMIX-CYBMUJFWSA-N 0 0 415.833 4.295 20 5 HIBDRN COc1ccc(CSCC(=O)NCc2cc(F)ccc2SC)cc1[N+](=O)[O-] ZINC000465212046 878624233 /nfs/dbraw/zinc/62/42/33/878624233.db2.gz ATKPFPMLSIMOEB-UHFFFAOYSA-N 0 0 410.492 4.014 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000503388883 912371476 /nfs/dbraw/zinc/37/14/76/912371476.db2.gz JXLUZOTYMXBRDJ-KSSFIOAISA-N 0 0 413.499 4.021 20 5 HIBDRN O=C(NCc1cc(Cl)ccc1OC(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000465286109 878722072 /nfs/dbraw/zinc/72/20/72/878722072.db2.gz PHDAPOQFLVPEJL-UHFFFAOYSA-N 0 0 423.759 4.033 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cc(Cl)ccc1OC(F)F ZINC000465294247 878733177 /nfs/dbraw/zinc/73/31/77/878733177.db2.gz KJTOEXFXBLTLQN-UHFFFAOYSA-N 0 0 405.184 4.362 20 5 HIBDRN CCOc1ccc(C(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000465305480 878751270 /nfs/dbraw/zinc/75/12/70/878751270.db2.gz RWGZFISEKJWDMG-UHFFFAOYSA-N 0 0 403.382 4.134 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1C ZINC000465351305 878784599 /nfs/dbraw/zinc/78/45/99/878784599.db2.gz ZAGWBCLFHBPCFC-UHFFFAOYSA-N 0 0 404.488 4.431 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(CC2CC2)c2ccccc21 ZINC000465363799 878803390 /nfs/dbraw/zinc/80/33/90/878803390.db2.gz KIUBFYJEQHQREV-UHFFFAOYSA-N 0 0 416.275 4.234 20 5 HIBDRN C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1F ZINC000465424878 878854120 /nfs/dbraw/zinc/85/41/20/878854120.db2.gz CLTLHAHNGKEXTJ-CYBMUJFWSA-N 0 0 405.401 4.187 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000503417942 912406135 /nfs/dbraw/zinc/40/61/35/912406135.db2.gz HXFRUSHIYBDVDU-UHFFFAOYSA-N 0 0 414.531 4.199 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000503422666 912416209 /nfs/dbraw/zinc/41/62/09/912416209.db2.gz QUVDYODXZDSKPS-HNNXBMFYSA-N 0 0 415.515 4.114 20 5 HIBDRN C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000465664755 879195753 /nfs/dbraw/zinc/19/57/53/879195753.db2.gz USDBDNXOINZPBH-KRWDZBQOSA-N 0 0 420.469 4.172 20 5 HIBDRN C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1c(F)cccc1F ZINC000465682926 879228609 /nfs/dbraw/zinc/22/86/09/879228609.db2.gz FRDWKSFGCQHDLH-CYBMUJFWSA-N 0 0 405.401 4.187 20 5 HIBDRN O=[N+]([O-])c1ccc(CNc2cccc(S(=O)(=O)N3CCCCC3)c2)c(Cl)c1 ZINC000512370584 921111487 /nfs/dbraw/zinc/11/14/87/921111487.db2.gz UCJKRPQVXAWWER-UHFFFAOYSA-N 0 0 409.895 4.035 20 5 HIBDRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000465703752 879267667 /nfs/dbraw/zinc/26/76/67/879267667.db2.gz BRWVSYQMFUUHCM-PBHICJAKSA-N 0 0 401.463 4.442 20 5 HIBDRN Cc1ccc(C[C@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000465945942 879614892 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417.314 4.467 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1 ZINC000466241153 879950205 /nfs/dbraw/zinc/95/02/05/879950205.db2.gz DECXSVMRFJGZOG-HNNXBMFYSA-N 0 0 423.494 4.262 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466263105 879991786 /nfs/dbraw/zinc/99/17/86/879991786.db2.gz BJPUGCBQPOXPAJ-UHFFFAOYSA-N 0 0 416.840 4.049 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H](CC)c2c(C)nn(C)c2C)c([N+](=O)[O-])cc1OCC ZINC000466264475 879995185 /nfs/dbraw/zinc/99/51/85/879995185.db2.gz RBWLUCIUZPOZEW-AWEZNQCLSA-N 0 0 419.482 4.015 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000466267104 880001668 /nfs/dbraw/zinc/00/16/68/880001668.db2.gz YACRGESXICUVSL-INIZCTEOSA-N 0 0 423.494 4.019 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H]3CCCc4sccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000466269882 880004773 /nfs/dbraw/zinc/00/47/73/880004773.db2.gz ZUAODFOFXVNOFL-SFHVURJKSA-N 0 0 410.499 4.325 20 5 HIBDRN COc1cc(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)ccc1[N+](=O)[O-] ZINC000466277184 880016163 /nfs/dbraw/zinc/01/61/63/880016163.db2.gz UMFMJMOIFLWUIN-HNNXBMFYSA-N 0 0 423.494 4.262 20 5 HIBDRN O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccc(F)cc1[N+](=O)[O-] ZINC000466280660 880019944 /nfs/dbraw/zinc/01/99/44/880019944.db2.gz XSEAFCFFSRUNNW-CQSZACIVSA-N 0 0 411.458 4.393 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1(c2ccccc2Cl)CCOCC1 ZINC000466281569 880021602 /nfs/dbraw/zinc/02/16/02/880021602.db2.gz SUXPJZAVKIOZEP-UHFFFAOYSA-N 0 0 409.269 4.266 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OCc2cscn2)c1 ZINC000466289145 880033224 /nfs/dbraw/zinc/03/32/24/880033224.db2.gz UJLLPBXETAOABP-UHFFFAOYSA-N 0 0 403.847 4.214 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000466316291 880070550 /nfs/dbraw/zinc/07/05/50/880070550.db2.gz FEPJMYGLRQXTLU-INIZCTEOSA-N 0 0 412.776 4.063 20 5 HIBDRN CCCOc1cc(NC(=O)N2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1OCCC ZINC000466379500 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415.837 4.038 20 5 HIBDRN COCC[C@@H]1CCCCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000466831131 880600356 /nfs/dbraw/zinc/60/03/56/880600356.db2.gz JRRQPQZOSGYIJQ-ROUUACIJSA-N 0 0 403.523 4.110 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000466859795 880630170 /nfs/dbraw/zinc/63/01/70/880630170.db2.gz RHXIOWBWAZYEGT-NSHDSACASA-N 0 0 423.438 4.062 20 5 HIBDRN COc1ccc(C2CCN(S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000466866253 880634629 /nfs/dbraw/zinc/63/46/29/880634629.db2.gz GEHOHGHRXSIEEF-UHFFFAOYSA-N 0 0 424.906 4.134 20 5 HIBDRN Cc1ccc2[nH]c(CNc3c4cc(Br)ccc4ncc3[N+](=O)[O-])nc2c1 ZINC000467017758 880820527 /nfs/dbraw/zinc/82/05/27/880820527.db2.gz YOGMJAHTMWSEPY-UHFFFAOYSA-N 0 0 412.247 4.124 20 5 HIBDRN Cc1sc(S(=O)(=O)N(C)C2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-] ZINC000467071383 880850029 /nfs/dbraw/zinc/85/00/29/880850029.db2.gz IBUAFFDYTKJOGR-UHFFFAOYSA-N 0 0 400.481 4.355 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)cc1OC ZINC000467116817 880874565 /nfs/dbraw/zinc/87/45/65/880874565.db2.gz NOUUILBOBMNBQI-UHFFFAOYSA-N 0 0 410.430 4.057 20 5 HIBDRN COCCOc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000467163900 880895542 /nfs/dbraw/zinc/89/55/42/880895542.db2.gz OABLTZJEZNZMTK-UHFFFAOYSA-N 0 0 414.245 4.249 20 5 HIBDRN Cc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(OC[C@@H]2CCCO2)c1 ZINC000467173513 880901000 /nfs/dbraw/zinc/90/10/00/880901000.db2.gz QESXLKJFCMKELL-INIZCTEOSA-N 0 0 419.865 4.436 20 5 HIBDRN Cc1c(=O)[nH]c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc1-c1ccccc1 ZINC000467195182 880925300 /nfs/dbraw/zinc/92/53/00/880925300.db2.gz GFLPGCFDELUFMV-UHFFFAOYSA-N 0 0 421.438 4.408 20 5 HIBDRN CN(Cc1ccc(Br)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467215903 880945212 /nfs/dbraw/zinc/94/52/12/880945212.db2.gz VIHYZPQKIATSFV-UHFFFAOYSA-N 0 0 412.671 4.352 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000467215180 880945289 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416.441 4.488 20 5 HIBDRN Cc1cnn(-c2ccc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc2F)c1 ZINC000467380707 881158091 /nfs/dbraw/zinc/15/80/91/881158091.db2.gz GLUCORAXRZOMON-UHFFFAOYSA-N 0 0 403.801 4.203 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000467410056 881196917 /nfs/dbraw/zinc/19/69/17/881196917.db2.gz CWIXXTJVZMTIQG-INIZCTEOSA-N 0 0 405.501 4.362 20 5 HIBDRN CCOc1ccc([C@@H](C)Nc2ccc(Cl)c(N3CCNC3=O)c2)cc1[N+](=O)[O-] ZINC000467419250 881207278 /nfs/dbraw/zinc/20/72/78/881207278.db2.gz PVWPVGGWUTUYPL-GFCCVEGCSA-N 0 0 404.854 4.350 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)cc1[N+](=O)[O-] ZINC000467430730 881224795 /nfs/dbraw/zinc/22/47/95/881224795.db2.gz WVEYXZCETVWWBL-HNNXBMFYSA-N 0 0 419.503 4.091 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2c(Br)cccc2C1 ZINC000503575568 912656832 /nfs/dbraw/zinc/65/68/32/912656832.db2.gz GUNFMMKXKADEIU-UHFFFAOYSA-N 0 0 418.291 4.053 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000469145318 883241027 /nfs/dbraw/zinc/24/10/27/883241027.db2.gz ZKQHVNUJAWQKIM-STQMWFEESA-N 0 0 407.854 4.101 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000469144934 883241279 /nfs/dbraw/zinc/24/12/79/883241279.db2.gz ZKQHVNUJAWQKIM-CHWSQXEVSA-N 0 0 407.854 4.101 20 5 HIBDRN CCC(C)(C)c1ccc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000469147250 883243280 /nfs/dbraw/zinc/24/32/80/883243280.db2.gz ZYCPNCXUZUXQHK-UHFFFAOYSA-N 0 0 403.866 4.304 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469162776 883259315 /nfs/dbraw/zinc/25/93/15/883259315.db2.gz SOPIYCFAGGBNCM-HNNXBMFYSA-N 0 0 401.413 4.103 20 5 HIBDRN O=C(C[C@H]1CCCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000469164007 883263023 /nfs/dbraw/zinc/26/30/23/883263023.db2.gz YUENIFKOWCATPV-QGZVFWFLSA-N 0 0 411.458 4.420 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@](C)(c3ccc(C)cc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000469290822 883386959 /nfs/dbraw/zinc/38/69/59/883386959.db2.gz YTXXQNUEWPFJNO-OAQYLSRUSA-N 0 0 420.412 4.317 20 5 HIBDRN Nc1c(C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)cccc1[N+](=O)[O-] ZINC000469297419 883394562 /nfs/dbraw/zinc/39/45/62/883394562.db2.gz DMJBPGISSBJARE-CQSZACIVSA-N 0 0 408.227 4.056 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N(C)[C@H](CCO)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000503605863 912703212 /nfs/dbraw/zinc/70/32/12/912703212.db2.gz CPEVGYPFVFOBMA-HXUWFJFHSA-N 0 0 411.502 4.027 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1c[nH]c2cccc(Br)c21 ZINC000469303933 883400503 /nfs/dbraw/zinc/40/05/03/883400503.db2.gz NHRIGMVCCKBNKU-UHFFFAOYSA-N 0 0 408.639 4.422 20 5 HIBDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000469370057 883495029 /nfs/dbraw/zinc/49/50/29/883495029.db2.gz VDYDJGSJYKATKE-UHFFFAOYSA-N 0 0 414.412 4.120 20 5 HIBDRN C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000469381369 883515928 /nfs/dbraw/zinc/51/59/28/883515928.db2.gz MMMUBSHRFHVHNG-HTAPYJJXSA-N 0 0 419.485 4.127 20 5 HIBDRN C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000469405795 883573802 /nfs/dbraw/zinc/57/38/02/883573802.db2.gz LDTSUADBEBRQIE-CQSZACIVSA-N 0 0 401.438 4.425 20 5 HIBDRN C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000469405794 883574688 /nfs/dbraw/zinc/57/46/88/883574688.db2.gz LDTSUADBEBRQIE-AWEZNQCLSA-N 0 0 401.438 4.425 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)C2 ZINC000469455967 883663451 /nfs/dbraw/zinc/66/34/51/883663451.db2.gz ASEDMCUSMLZFCP-QHCPKHFHSA-N 0 0 402.450 4.472 20 5 HIBDRN CCC1(CC)Oc2ccc(NC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)cc2O1 ZINC000469512345 883772375 /nfs/dbraw/zinc/77/23/75/883772375.db2.gz QJQBAWKRSYFHOY-UHFFFAOYSA-N 0 0 402.403 4.152 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC000469680784 883867583 /nfs/dbraw/zinc/86/75/83/883867583.db2.gz BONJHLSAVBDDAW-KRWDZBQOSA-N 0 0 417.510 4.199 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000469701308 883878767 /nfs/dbraw/zinc/87/87/67/883878767.db2.gz ZHDHJILSEJRBHS-LLVKDONJSA-N 0 0 409.826 4.315 20 5 HIBDRN Cc1ccn(-c2ccccc2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000469709039 883881710 /nfs/dbraw/zinc/88/17/10/883881710.db2.gz HFPFWILXJLETFV-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN C[C@@H](c1ccccc1Br)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000503670904 912778025 /nfs/dbraw/zinc/77/80/25/912778025.db2.gz MALGYMLGKXAITC-JTQLQIEISA-N 0 0 403.236 4.067 20 5 HIBDRN CC1(C)Cc2cc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)ccc2O1 ZINC000469865802 884056331 /nfs/dbraw/zinc/05/63/31/884056331.db2.gz ZQNTVKZJDBWXAP-UHFFFAOYSA-N 0 0 411.458 4.384 20 5 HIBDRN CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC[C@H]1C ZINC000469876753 884066639 /nfs/dbraw/zinc/06/66/39/884066639.db2.gz ZDGDYPIOXOHMGJ-VLIAUNLRSA-N 0 0 417.893 4.357 20 5 HIBDRN CO[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000469876406 884066745 /nfs/dbraw/zinc/06/67/45/884066745.db2.gz UKQALVMXSKBBML-VBKZILBWSA-N 0 0 417.893 4.357 20 5 HIBDRN COc1cc(CN2CC[C@H](C(F)(F)F)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000469998379 884214547 /nfs/dbraw/zinc/21/45/47/884214547.db2.gz DPCAUEKWUXFISC-AWEZNQCLSA-N 0 0 412.355 4.410 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1c1ccccc1 ZINC000469997556 884214906 /nfs/dbraw/zinc/21/49/06/884214906.db2.gz ALOGQWUKZPVIKN-LAUBAEHRSA-N 0 0 404.470 4.436 20 5 HIBDRN CN(Cc1ccc(F)c(Cl)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000470014846 884232966 /nfs/dbraw/zinc/23/29/66/884232966.db2.gz GYEUEVKTRKHGQG-UHFFFAOYSA-N 0 0 415.646 4.351 20 5 HIBDRN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(OC(F)(F)F)c1 ZINC000470022480 884240954 /nfs/dbraw/zinc/24/09/54/884240954.db2.gz MKTBCZBTAKCHBT-UHFFFAOYSA-N 0 0 408.336 4.175 20 5 HIBDRN Cc1coc(-c2ccc(C)c(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)c2)n1 ZINC000470093441 884350006 /nfs/dbraw/zinc/35/00/06/884350006.db2.gz KOIFEIXEWDNZCR-UHFFFAOYSA-N 0 0 403.398 4.305 20 5 HIBDRN CN(Cc1cc(Cl)ccc1F)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000470104300 884364222 /nfs/dbraw/zinc/36/42/22/884364222.db2.gz QPZHSFSJANODON-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN Cc1cnc(C2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)s1 ZINC000470107611 884366683 /nfs/dbraw/zinc/36/66/83/884366683.db2.gz LZYJYNZKCYEKRB-UHFFFAOYSA-N 0 0 410.293 4.142 20 5 HIBDRN O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470112238 884373017 /nfs/dbraw/zinc/37/30/17/884373017.db2.gz CVCUJCNULLUBKT-UHFFFAOYSA-N 0 0 407.829 4.257 20 5 HIBDRN COc1cccc(Oc2ncccc2CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000470143288 884410393 /nfs/dbraw/zinc/41/03/93/884410393.db2.gz RPAZNRGLLCCXJD-UHFFFAOYSA-N 0 0 412.377 4.252 20 5 HIBDRN O=C(N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000470284168 884651528 /nfs/dbraw/zinc/65/15/28/884651528.db2.gz DUQCCDIFTAXUHM-LWYUSKRHSA-N 0 0 424.419 4.333 20 5 HIBDRN O=C(Nc1ccc(Oc2ccccn2)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470352716 884745000 /nfs/dbraw/zinc/74/50/00/884745000.db2.gz QTKHUFIFKSALRI-UHFFFAOYSA-N 0 0 406.398 4.077 20 5 HIBDRN Cc1sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)nc1-c1c[nH]c2ncccc12 ZINC000503909143 912860586 /nfs/dbraw/zinc/86/05/86/912860586.db2.gz JYVMOPDMBIHQCO-UHFFFAOYSA-N 0 0 411.418 4.223 20 5 HIBDRN O=C(Nc1ccncc1[N+](=O)[O-])N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000470405780 884810520 /nfs/dbraw/zinc/81/05/20/884810520.db2.gz VONIRGNCLADTID-LJQANCHMSA-N 0 0 408.845 4.397 20 5 HIBDRN CCOc1ccc([C@H](C)[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000503921406 912866371 /nfs/dbraw/zinc/86/63/71/912866371.db2.gz UXIPBKOBDAZOLE-PXNSSMCTSA-N 0 0 407.470 4.247 20 5 HIBDRN O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470424945 884826759 /nfs/dbraw/zinc/82/67/59/884826759.db2.gz KKYRKCVBOXTJKL-UHFFFAOYSA-N 0 0 413.764 4.145 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000470491964 884879011 /nfs/dbraw/zinc/87/90/11/884879011.db2.gz LEDHDYKOFMIMFO-OAHLLOKOSA-N 0 0 406.442 4.226 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc4c3OCCC4=O)cc2[N+](=O)[O-])C1 ZINC000503953865 912881728 /nfs/dbraw/zinc/88/17/28/912881728.db2.gz WEDDPMYCIRGFCX-GASCZTMLSA-N 0 0 423.469 4.295 20 5 HIBDRN O=C(N[C@@H](CCO)c1ccco1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000470573910 884990165 /nfs/dbraw/zinc/99/01/65/884990165.db2.gz LFOGRHFULIEMKY-INIZCTEOSA-N 0 0 416.817 4.487 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000470677840 885108822 /nfs/dbraw/zinc/10/88/22/885108822.db2.gz HLHUJZTXBXQSNK-YJBOKZPZSA-N 0 0 412.490 4.098 20 5 HIBDRN CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000470685621 885120088 /nfs/dbraw/zinc/12/00/88/885120088.db2.gz ZTIMVYSPEKDRRB-UHFFFAOYSA-N 0 0 416.861 4.213 20 5 HIBDRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470697904 885136775 /nfs/dbraw/zinc/13/67/75/885136775.db2.gz BPYQHUVWIAGBAP-FQEVSTJZSA-N 0 0 407.401 4.234 20 5 HIBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470701565 885140317 /nfs/dbraw/zinc/14/03/17/885140317.db2.gz PGRMAHPXQSYHSL-UHFFFAOYSA-N 0 0 405.382 4.469 20 5 HIBDRN C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](c2ccsc2)O1 ZINC000470706093 885143851 /nfs/dbraw/zinc/14/38/51/885143851.db2.gz CROZHCFTUOPTNP-PXAZEXFGSA-N 0 0 415.496 4.382 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000470708864 885146982 /nfs/dbraw/zinc/14/69/82/885146982.db2.gz XQZHBCLXQCZQFN-UHFFFAOYSA-N 0 0 412.274 4.330 20 5 HIBDRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470727365 885178302 /nfs/dbraw/zinc/17/83/02/885178302.db2.gz SQGRNXUSSMBBDH-UHFFFAOYSA-N 0 0 407.348 4.246 20 5 HIBDRN C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000470735778 885191245 /nfs/dbraw/zinc/19/12/45/885191245.db2.gz GTSNYUSGBQKFTD-YVEFUNNKSA-N 0 0 410.879 4.067 20 5 HIBDRN C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000470735777 885191608 /nfs/dbraw/zinc/19/16/08/885191608.db2.gz GTSNYUSGBQKFTD-SJKOYZFVSA-N 0 0 410.879 4.067 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000470754215 885220851 /nfs/dbraw/zinc/22/08/51/885220851.db2.gz FLJSDXHVPBIHBZ-UHFFFAOYSA-N 0 0 423.252 4.021 20 5 HIBDRN O=C(Nc1ccccc1O[C@@H]1CCOC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000470795974 885278826 /nfs/dbraw/zinc/27/88/26/885278826.db2.gz VCAGHARHYCDICP-GFCCVEGCSA-N 0 0 409.345 4.008 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000470814548 885301800 /nfs/dbraw/zinc/30/18/00/885301800.db2.gz YJMIEFBPXGFEJC-CQSZACIVSA-N 0 0 402.447 4.280 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C ZINC000470826861 885315026 /nfs/dbraw/zinc/31/50/26/885315026.db2.gz RPJYZBJEULWWNO-UHFFFAOYSA-N 0 0 411.458 4.227 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000470835289 885327357 /nfs/dbraw/zinc/32/73/57/885327357.db2.gz GBBYRRJJIYEZIO-MRXNPFEDSA-N 0 0 421.453 4.459 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000470843789 885338921 /nfs/dbraw/zinc/33/89/21/885338921.db2.gz GJNOIGKVDVTJHC-UHFFFAOYSA-N 0 0 419.865 4.285 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504024282 912927242 /nfs/dbraw/zinc/92/72/42/912927242.db2.gz LAYSZJJXWMPTJY-UHFFFAOYSA-N 0 0 420.252 4.085 20 5 HIBDRN COc1ccc(-c2nnc(Sc3cc(C)c([N+](=O)[O-])cn3)n2Cc2ccco2)cc1 ZINC000470868619 885357137 /nfs/dbraw/zinc/35/71/37/885357137.db2.gz OLXFUMRWDLQSAK-UHFFFAOYSA-N 0 0 423.454 4.358 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000470886735 885382774 /nfs/dbraw/zinc/38/27/74/885382774.db2.gz VXOXCMCVQPEOSN-UHFFFAOYSA-N 0 0 404.329 4.233 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C3CC3)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000470920863 885428480 /nfs/dbraw/zinc/42/84/80/885428480.db2.gz VANVQLJJNZMCGX-SSKFGXFMSA-N 0 0 409.486 4.082 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000470949142 885447808 /nfs/dbraw/zinc/44/78/08/885447808.db2.gz VSWOGLSLVPXWAE-HXUWFJFHSA-N 0 0 405.458 4.151 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000470949141 885447941 /nfs/dbraw/zinc/44/79/41/885447941.db2.gz VSWOGLSLVPXWAE-FQEVSTJZSA-N 0 0 405.458 4.151 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000470985508 885487168 /nfs/dbraw/zinc/48/71/68/885487168.db2.gz MZKSGZQVFZPHMZ-ZDUSSCGKSA-N 0 0 409.364 4.210 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000471030156 885537380 /nfs/dbraw/zinc/53/73/80/885537380.db2.gz BSGGSTRSJFVXIJ-CYBMUJFWSA-N 0 0 402.422 4.412 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000471077210 885601631 /nfs/dbraw/zinc/60/16/31/885601631.db2.gz ZLQGCUVRAZAFCB-INIZCTEOSA-N 0 0 407.474 4.464 20 5 HIBDRN Cc1ccc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccn2)cc1 ZINC000471077168 885602144 /nfs/dbraw/zinc/60/21/44/885602144.db2.gz ZALIGDSROCXEQZ-OAQYLSRUSA-N 0 0 410.861 4.269 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(I)ccc1Cl ZINC000471082973 885609202 /nfs/dbraw/zinc/60/92/02/885609202.db2.gz LRYMUNJWDPEFEK-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cn1nc(C(F)F)c2cc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)sc21 ZINC000471093912 885623140 /nfs/dbraw/zinc/62/31/40/885623140.db2.gz CQAFBPYQZLMXSM-UHFFFAOYSA-N 0 0 406.414 4.285 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F ZINC000471103215 885636657 /nfs/dbraw/zinc/63/66/57/885636657.db2.gz GMFVPLGBIULQAK-UHFFFAOYSA-N 0 0 404.394 4.340 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000471156614 885707236 /nfs/dbraw/zinc/70/72/36/885707236.db2.gz LMJQOURLMGSTNX-UHFFFAOYSA-N 0 0 405.248 4.497 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000471160724 885713040 /nfs/dbraw/zinc/71/30/40/885713040.db2.gz LLNJOBRWJNMYMU-UHFFFAOYSA-N 0 0 408.376 4.474 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1=CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000471161085 885715367 /nfs/dbraw/zinc/71/53/67/885715367.db2.gz PSMCWXHUGSVTKJ-UHFFFAOYSA-N 0 0 404.470 4.421 20 5 HIBDRN CCOc1cc(NC(=O)NCc2ccc3ncccc3c2)c([N+](=O)[O-])cc1OCC ZINC000471176805 885740782 /nfs/dbraw/zinc/74/07/82/885740782.db2.gz MXOKHGVMHKKGMS-UHFFFAOYSA-N 0 0 410.430 4.262 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000471178973 885742964 /nfs/dbraw/zinc/74/29/64/885742964.db2.gz UQMKRHXMKWMGEA-WIYYLYMNSA-N 0 0 419.485 4.186 20 5 HIBDRN COC1CCC(C)(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000471261769 885840919 /nfs/dbraw/zinc/84/09/19/885840919.db2.gz UZUYAQNVRQCJSU-UHFFFAOYSA-N 0 0 417.428 4.127 20 5 HIBDRN O=C(COc1c(Cl)cccc1[N+](=O)[O-])N(Cc1ccccc1)CC(F)(F)F ZINC000471290961 885875497 /nfs/dbraw/zinc/87/54/97/885875497.db2.gz FAFXTVQZRMTPPI-UHFFFAOYSA-N 0 0 402.756 4.218 20 5 HIBDRN O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(Br)cc1F ZINC000471291266 885876944 /nfs/dbraw/zinc/87/69/44/885876944.db2.gz DHXXRAWNUBICQA-UHFFFAOYSA-N 0 0 403.591 4.167 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000471295915 885881436 /nfs/dbraw/zinc/88/14/36/885881436.db2.gz DGJIMKXVUYVLNR-UHFFFAOYSA-N 0 0 402.472 4.126 20 5 HIBDRN O=C(COc1c(Cl)cccc1[N+](=O)[O-])NCc1ccccc1OC1CCCC1 ZINC000471297372 885885214 /nfs/dbraw/zinc/88/52/14/885885214.db2.gz WRCSSYFYRRQOFD-UHFFFAOYSA-N 0 0 404.850 4.265 20 5 HIBDRN CCc1ccc(C(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000471300966 885889751 /nfs/dbraw/zinc/88/97/51/885889751.db2.gz QWGFXWXCOLAFAZ-UHFFFAOYSA-N 0 0 423.391 4.277 20 5 HIBDRN Cc1nnsc1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000471309253 885899035 /nfs/dbraw/zinc/89/90/35/885899035.db2.gz DRSQFODNPJBNGF-UHFFFAOYSA-N 0 0 422.825 4.270 20 5 HIBDRN COCCC[C@@H](Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000471331790 885930829 /nfs/dbraw/zinc/93/08/29/885930829.db2.gz OFEMRZDDKKYHPF-HNNXBMFYSA-N 0 0 410.392 4.381 20 5 HIBDRN Cc1ccc([C@@H]2CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)c(C)c1 ZINC000471339907 885945930 /nfs/dbraw/zinc/94/59/30/885945930.db2.gz FRVVGPWYBZOJQL-GOSISDBHSA-N 0 0 404.470 4.242 20 5 HIBDRN CCc1ccc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)cc1[N+](=O)[O-] ZINC000471354659 885972705 /nfs/dbraw/zinc/97/27/05/885972705.db2.gz KLAAYRXMADSMKQ-UHFFFAOYSA-N 0 0 409.364 4.010 20 5 HIBDRN CC(=O)Nc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000471386055 886034828 /nfs/dbraw/zinc/03/48/28/886034828.db2.gz QTIXNHUIYXBEEN-JTQLQIEISA-N 0 0 407.348 4.163 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCOc1ccccc1OC ZINC000504091916 913002726 /nfs/dbraw/zinc/00/27/26/913002726.db2.gz LPCDQVDQZCYSTH-UHFFFAOYSA-N 0 0 404.488 4.257 20 5 HIBDRN Cc1ccc(OCCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000471417798 886073326 /nfs/dbraw/zinc/07/33/26/886073326.db2.gz GKIHBZLIBWTMOB-UHFFFAOYSA-N 0 0 412.486 4.441 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000471432697 886090489 /nfs/dbraw/zinc/09/04/89/886090489.db2.gz UUZJILPYUQPWMC-UHFFFAOYSA-N 0 0 406.442 4.394 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000471458345 886136212 /nfs/dbraw/zinc/13/62/12/886136212.db2.gz LBFBUSQCGUASPY-LPHOPBHVSA-N 0 0 414.527 4.316 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000471515248 886217752 /nfs/dbraw/zinc/21/77/52/886217752.db2.gz ITWSJBDPPWPJDZ-CZUORRHYSA-N 0 0 421.266 4.491 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ncccc1OCc1cccc(Cl)c1 ZINC000471526872 886228939 /nfs/dbraw/zinc/22/89/39/886228939.db2.gz AWHCTQQUNUCMNX-UHFFFAOYSA-N 0 0 413.817 4.240 20 5 HIBDRN Cc1cc(Br)c(F)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000471525898 886229363 /nfs/dbraw/zinc/22/93/63/886229363.db2.gz BHVLXTOLYRKPMQ-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)OC(C)C ZINC000471539853 886246319 /nfs/dbraw/zinc/24/63/19/886246319.db2.gz MHRXLEQYKMCVEU-GOSISDBHSA-N 0 0 424.400 4.101 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)c(Br)cc2C)cc([N+](=O)[O-])c1OC ZINC000471541577 886248292 /nfs/dbraw/zinc/24/82/92/886248292.db2.gz XASXGABBEFWDLN-UHFFFAOYSA-N 0 0 413.199 4.074 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)OC(C)C ZINC000471548875 886257505 /nfs/dbraw/zinc/25/75/05/886257505.db2.gz BFOCNPMGGHVHPV-GOSISDBHSA-N 0 0 404.488 4.221 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)OC(C)C ZINC000471572121 886283436 /nfs/dbraw/zinc/28/34/36/886283436.db2.gz SYEVHEBFTFSYAE-GOSISDBHSA-N 0 0 424.400 4.101 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000471648360 886362298 /nfs/dbraw/zinc/36/22/98/886362298.db2.gz UJKJSWZJICICRZ-UHFFFAOYSA-N 0 0 411.393 4.345 20 5 HIBDRN O=C(c1cc2sccc2s1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000471693538 886401042 /nfs/dbraw/zinc/40/10/42/886401042.db2.gz PSXUCRQJLCRIHD-UHFFFAOYSA-N 0 0 424.507 4.382 20 5 HIBDRN CO[C@@H]1CC[C@@H](NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000471695676 886404100 /nfs/dbraw/zinc/40/41/00/886404100.db2.gz ZHRNXHWFRPHXFQ-HZPDHXFCSA-N 0 0 403.866 4.158 20 5 HIBDRN COCCC1(CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CCCC1 ZINC000471837396 886594127 /nfs/dbraw/zinc/59/41/27/886594127.db2.gz RQFIMGJANWVGBO-QGZVFWFLSA-N 0 0 403.523 4.158 20 5 HIBDRN Cn1c(COc2c(Br)cccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000471856137 886628569 /nfs/dbraw/zinc/62/85/69/886628569.db2.gz JGBTXBNFVUFYRL-UHFFFAOYSA-N 0 0 423.654 4.385 20 5 HIBDRN COCCC1(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CCCC1 ZINC000471861120 886635500 /nfs/dbraw/zinc/63/55/00/886635500.db2.gz ZKECNIAVJSGAMY-UHFFFAOYSA-N 0 0 403.523 4.158 20 5 HIBDRN Cc1ccc(S(=O)(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000471868613 886646801 /nfs/dbraw/zinc/64/68/01/886646801.db2.gz CULZTYXHIQGBEQ-LJQANCHMSA-N 0 0 417.874 4.020 20 5 HIBDRN CCc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000471872811 886650907 /nfs/dbraw/zinc/65/09/07/886650907.db2.gz WWTDPROTTDSPLS-UHFFFAOYSA-N 0 0 419.363 4.317 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000471882238 886663103 /nfs/dbraw/zinc/66/31/03/886663103.db2.gz GVKKBYXDDSUGES-LJQANCHMSA-N 0 0 417.874 4.020 20 5 HIBDRN CC(=O)Nc1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(C(F)(F)F)c1 ZINC000471911259 886697712 /nfs/dbraw/zinc/69/77/12/886697712.db2.gz PIJQQAHSEWBNCD-NSHDSACASA-N 0 0 409.364 4.371 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000471937683 886736150 /nfs/dbraw/zinc/73/61/50/886736150.db2.gz UILBIXKUWCRZBK-APWZRJJASA-N 0 0 404.417 4.057 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000471940056 886737925 /nfs/dbraw/zinc/73/79/25/886737925.db2.gz NBCUQKVZCSWTGH-APWZRJJASA-N 0 0 402.882 4.432 20 5 HIBDRN Cc1c(NC(=O)c2cc3ccccc3c3cccnc23)cccc1N1C(=O)CCNC1=O ZINC000504190162 913075254 /nfs/dbraw/zinc/07/52/54/913075254.db2.gz MHTZEVLALPFPTA-UHFFFAOYSA-N 0 0 424.460 4.395 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000471986214 886812853 /nfs/dbraw/zinc/81/28/53/886812853.db2.gz PYJWMEGZPMUHKG-UONOGXRCSA-N 0 0 409.446 4.329 20 5 HIBDRN Cn1c2ccccc2nc1C(C)(C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000471996950 886823312 /nfs/dbraw/zinc/82/33/12/886823312.db2.gz ANGBBICKXAYNDM-UHFFFAOYSA-N 0 0 421.482 4.270 20 5 HIBDRN COc1ccc2c(c1)OC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C)C2 ZINC000504208921 913086331 /nfs/dbraw/zinc/08/63/31/913086331.db2.gz ZSMJJHNIJJBGKS-HNNXBMFYSA-N 0 0 416.499 4.085 20 5 HIBDRN CCCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](C)CC(=O)Nc1ccccc1 ZINC000504211606 913087600 /nfs/dbraw/zinc/08/76/00/913087600.db2.gz IGLZVVBEFVMROZ-OAHLLOKOSA-N 0 0 408.458 4.346 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCSC[C@H]1c1nccs1 ZINC000472086814 886885646 /nfs/dbraw/zinc/88/56/46/886885646.db2.gz YNRXIPLLOWLPLA-LBPRGKRZSA-N 0 0 415.949 4.114 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000472268130 887083331 /nfs/dbraw/zinc/08/33/31/887083331.db2.gz FIOSGLOGRKESDO-NRFANRHFSA-N 0 0 410.861 4.351 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCc3ncc(C(C)(C)C)o3)cc2[N+](=O)[O-])C1 ZINC000472364696 887201164 /nfs/dbraw/zinc/20/11/64/887201164.db2.gz BAURATBKQWAZHB-CQSZACIVSA-N 0 0 400.479 4.047 20 5 HIBDRN C[C@@H](Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000472364786 887201267 /nfs/dbraw/zinc/20/12/67/887201267.db2.gz DUWHGNDPRTUYDB-CQSZACIVSA-N 0 0 407.417 4.202 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)n2)cc1 ZINC000472402629 887250913 /nfs/dbraw/zinc/25/09/13/887250913.db2.gz KMQIWDGPTKPVLM-LBPRGKRZSA-N 0 0 412.471 4.420 20 5 HIBDRN O=C(NCCOCC(F)F)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000472428321 887277163 /nfs/dbraw/zinc/27/71/63/887277163.db2.gz GLEMEWVAIPUMRE-UHFFFAOYSA-N 0 0 400.765 4.052 20 5 HIBDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000472534424 887407824 /nfs/dbraw/zinc/40/78/24/887407824.db2.gz BSOJEJPEGJFIIF-GXTWGEPZSA-N 0 0 410.348 4.373 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000472556021 887441438 /nfs/dbraw/zinc/44/14/38/887441438.db2.gz XBQBMCNXTARDTA-UHFFFAOYSA-N 0 0 423.856 4.213 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000472568447 887455349 /nfs/dbraw/zinc/45/53/49/887455349.db2.gz WGZJBZHXTKOUTK-UHFFFAOYSA-N 0 0 410.495 4.236 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 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CCn1c(COc2ccc(C)cc2)nnc1SCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000473786341 888596063 /nfs/dbraw/zinc/59/60/63/888596063.db2.gz DWCQGOMQMPNWBB-UHFFFAOYSA-N 0 0 424.486 4.262 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CSc3nnc(NCCc4cccs4)s3)nc2c1 ZINC000473786647 888596184 /nfs/dbraw/zinc/59/61/84/888596184.db2.gz MKAABGSQJINJBL-UHFFFAOYSA-N 0 0 418.529 4.331 20 5 HIBDRN Cc1cc(NC(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000473791663 888606629 /nfs/dbraw/zinc/60/66/29/888606629.db2.gz YUUIYMKBHFTQSB-INIZCTEOSA-N 0 0 412.494 4.481 20 5 HIBDRN Cc1cc(Br)c(F)cc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000473861427 888716374 /nfs/dbraw/zinc/71/63/74/888716374.db2.gz BKPJEIPHEZHYCM-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1cc3cc([N+](=O)[O-])ccc3o1)O[C@@H](C)C2 ZINC000504494407 913283716 /nfs/dbraw/zinc/28/37/16/913283716.db2.gz DCNCOEDFJWESNF-ULFGMLNVSA-N 0 0 422.437 4.349 20 5 HIBDRN COC(=O)COc1ccc(CNc2ccccc2OC2CCCC2)cc1[N+](=O)[O-] ZINC000474014797 888870474 /nfs/dbraw/zinc/87/04/74/888870474.db2.gz TWUPDPBRAFEOPL-UHFFFAOYSA-N 0 0 400.431 4.080 20 5 HIBDRN COc1ccc(OC)c(CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000474182342 889021624 /nfs/dbraw/zinc/02/16/24/889021624.db2.gz YUXBASCGJYLKHF-UHFFFAOYSA-N 0 0 415.490 4.160 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474200379 889037652 /nfs/dbraw/zinc/03/76/52/889037652.db2.gz UNHHNTJVOMQYKH-OLZOCXBDSA-N 0 0 412.895 4.070 20 5 HIBDRN COC(=O)COc1ccc(CNc2cccc(Cl)c2OC(C)C)cc1[N+](=O)[O-] ZINC000474344428 889220148 /nfs/dbraw/zinc/22/01/48/889220148.db2.gz JSORSCWRTTYMAJ-UHFFFAOYSA-N 0 0 408.838 4.199 20 5 HIBDRN Cc1sc(NC(=O)CCc2nnc(C(C)C)o2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000474361297 889238680 /nfs/dbraw/zinc/23/86/80/889238680.db2.gz IRECXAUFYFRJGQ-UHFFFAOYSA-N 0 0 401.448 4.104 20 5 HIBDRN CCc1ccc(Cl)c(CC)c1NC(=O)CCCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000474388524 889261290 /nfs/dbraw/zinc/26/12/90/889261290.db2.gz FDKJFCBAIZMMLP-UHFFFAOYSA-N 0 0 405.882 4.262 20 5 HIBDRN CC(C)(C)c1cnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)o1 ZINC000474402068 889268530 /nfs/dbraw/zinc/26/85/30/889268530.db2.gz HTGKQYUEYPTVNS-UHFFFAOYSA-N 0 0 414.281 4.374 20 5 HIBDRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000504563273 913335069 /nfs/dbraw/zinc/33/50/69/913335069.db2.gz KQNCRAREWSQOHX-OAHLLOKOSA-N 0 0 404.426 4.424 20 5 HIBDRN CCc1cnc(CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)s1 ZINC000474469406 889332526 /nfs/dbraw/zinc/33/25/26/889332526.db2.gz GSPLDIBERDCNDB-UHFFFAOYSA-N 0 0 402.520 4.122 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000474507337 889370104 /nfs/dbraw/zinc/37/01/04/889370104.db2.gz DICYGNSCAVTRLR-AFAVFJNCSA-N 0 0 405.401 4.421 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1F ZINC000474541404 889417607 /nfs/dbraw/zinc/41/76/07/889417607.db2.gz VZLBBGKOHIHQLF-UHFFFAOYSA-N 0 0 415.421 4.009 20 5 HIBDRN C[C@H](NC(=O)NCCc1cccc(OCC(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000474658572 889523110 /nfs/dbraw/zinc/52/31/10/889523110.db2.gz NVBKUVRRLXJPAY-ZDUSSCGKSA-N 0 0 411.380 4.139 20 5 HIBDRN COc1ccc(CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)c2nccs2)c(OC)c1 ZINC000474748185 889604993 /nfs/dbraw/zinc/60/49/93/889604993.db2.gz IQIJZXNLZNZDDF-UHFFFAOYSA-N 0 0 413.455 4.224 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000474790531 889647137 /nfs/dbraw/zinc/64/71/37/889647137.db2.gz JWWLSLMZNJPWEQ-UHFFFAOYSA-N 0 0 410.615 4.068 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCSc2ccc(Br)cc21 ZINC000504613812 913368738 /nfs/dbraw/zinc/36/87/38/913368738.db2.gz LTDGXIWPXAFXCP-LBPRGKRZSA-N 0 0 410.293 4.005 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000474911377 889771422 /nfs/dbraw/zinc/77/14/22/889771422.db2.gz OAWRIOGHJPYCCQ-MRXNPFEDSA-N 0 0 417.510 4.089 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000474914787 889776309 /nfs/dbraw/zinc/77/63/09/889776309.db2.gz ZEBVZBAYUQGBQN-LLVKDONJSA-N 0 0 409.895 4.009 20 5 HIBDRN COc1c(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)cccc1[N+](=O)[O-] ZINC000474973233 889828418 /nfs/dbraw/zinc/82/84/18/889828418.db2.gz LLSGWFBVHIAODB-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN O=C(NCc1c(F)cccc1OC(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000475005287 889857354 /nfs/dbraw/zinc/85/73/54/889857354.db2.gz YWOUSRKBGBUFIO-UHFFFAOYSA-N 0 0 409.364 4.210 20 5 HIBDRN COc1c(C(=O)N2CCC[C@H]2c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000475031679 889883892 /nfs/dbraw/zinc/88/38/92/889883892.db2.gz ODMRVNXVJSKLSG-HNNXBMFYSA-N 0 0 405.248 4.343 20 5 HIBDRN Cc1cc(F)c(Br)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475079066 889924683 /nfs/dbraw/zinc/92/46/83/889924683.db2.gz OSQQASHFKKGBJY-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN C[C@H](NC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000475107528 889955861 /nfs/dbraw/zinc/95/58/61/889955861.db2.gz IHGGVPGRMQFOQR-SCLBCKFNSA-N 0 0 423.391 4.458 20 5 HIBDRN COc1c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000475113792 889966053 /nfs/dbraw/zinc/96/60/53/889966053.db2.gz ZQGCDHKFCBLILQ-UHFFFAOYSA-N 0 0 415.789 4.354 20 5 HIBDRN COC(=O)[C@@H](CC(F)(F)F)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000475134975 889999984 /nfs/dbraw/zinc/99/99/84/889999984.db2.gz FEGXJSZHXMEOJJ-CQSZACIVSA-N 0 0 416.327 4.110 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000475191089 890061255 /nfs/dbraw/zinc/06/12/55/890061255.db2.gz IQXHRGOYJIRBJJ-LJQANCHMSA-N 0 0 421.375 4.319 20 5 HIBDRN O=C(NCc1cccc(-n2ccnc2)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475220967 890089864 /nfs/dbraw/zinc/08/98/64/890089864.db2.gz UZXRCJHOQSWLAI-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000475225863 890094829 /nfs/dbraw/zinc/09/48/29/890094829.db2.gz XPLKUTJJQPIMKS-GFCCVEGCSA-N 0 0 419.425 4.180 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Br)cn1 ZINC000475236183 890110012 /nfs/dbraw/zinc/11/00/12/890110012.db2.gz QFKBDSCJOFJSNL-GFCCVEGCSA-N 0 0 419.279 4.188 20 5 HIBDRN CC(C)n1ncc2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc21 ZINC000504683503 913420775 /nfs/dbraw/zinc/42/07/75/913420775.db2.gz DLJVBQGMYLMIGH-UHFFFAOYSA-N 0 0 404.430 4.178 20 5 HIBDRN COc1cc(CNc2cccc(CCC(=O)OC(C)(C)C)c2)c([N+](=O)[O-])cc1O ZINC000475287758 890189106 /nfs/dbraw/zinc/18/91/06/890189106.db2.gz VVZSUMMLFNZFKI-UHFFFAOYSA-N 0 0 402.447 4.195 20 5 HIBDRN Cc1nc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)ccc1[N+](=O)[O-] ZINC000475321021 890239518 /nfs/dbraw/zinc/23/95/18/890239518.db2.gz LDAGJIIHCUVFCQ-SECBINFHSA-N 0 0 414.643 4.120 20 5 HIBDRN CCNc1ccc(C(=O)N[C@@H](C)c2ccc(SCCOC)cc2)cc1[N+](=O)[O-] ZINC000504702282 913437172 /nfs/dbraw/zinc/43/71/72/913437172.db2.gz FQCUYJILJIHWJF-AWEZNQCLSA-N 0 0 403.504 4.256 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000475404744 890333413 /nfs/dbraw/zinc/33/34/13/890333413.db2.gz MUEPDHDTLVYLRX-LEWJYISDSA-N 0 0 417.469 4.011 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H](C)C3CCOCC3)cc2[N+](=O)[O-])n1 ZINC000475410572 890338687 /nfs/dbraw/zinc/33/86/87/890338687.db2.gz MPVDKSHTRSTYMT-LBPRGKRZSA-N 0 0 407.517 4.056 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1OCC(F)F ZINC000475415290 890340477 /nfs/dbraw/zinc/34/04/77/890340477.db2.gz FXXOLFUIBZZWAU-UHFFFAOYSA-N 0 0 408.404 4.437 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000475433539 890353486 /nfs/dbraw/zinc/35/34/86/890353486.db2.gz YCGGPBRIEKBIFM-GFCCVEGCSA-N 0 0 412.833 4.209 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N[C@H]3CCCOc4ccccc43)cc2[N+](=O)[O-])CC1 ZINC000504718283 913454220 /nfs/dbraw/zinc/45/42/20/913454220.db2.gz ZNTGWYMONCPRQM-IBGZPJMESA-N 0 0 409.486 4.475 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000475544650 890468870 /nfs/dbraw/zinc/46/88/70/890468870.db2.gz BFVFRQXYDXMRFC-OAHLLOKOSA-N 0 0 416.865 4.182 20 5 HIBDRN Cc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1N1C(=O)CNC1=O ZINC000475552050 890477491 /nfs/dbraw/zinc/47/74/91/890477491.db2.gz HLPKWMBIESJCLU-UHFFFAOYSA-N 0 0 422.466 4.300 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)n(-c2ccccc2)n1 ZINC000475553625 890479094 /nfs/dbraw/zinc/47/90/94/890479094.db2.gz ZDTBDILXTHCOLO-MRXNPFEDSA-N 0 0 407.474 4.458 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000475565365 890494170 /nfs/dbraw/zinc/49/41/70/890494170.db2.gz DQOIWZWPVSAWEK-APWZRJJASA-N 0 0 404.417 4.057 20 5 HIBDRN CCOC(=O)C[C@@H](NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccc(F)cc1 ZINC000475566621 890495867 /nfs/dbraw/zinc/49/58/67/890495867.db2.gz UIPWKWIMSUBEGA-QGZVFWFLSA-N 0 0 403.410 4.167 20 5 HIBDRN COC(=O)COc1ccc(CN2CCC[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000475585585 890513475 /nfs/dbraw/zinc/51/34/75/890513475.db2.gz WBGJSGBEUDCDES-QGZVFWFLSA-N 0 0 404.850 4.137 20 5 HIBDRN O=[N+]([O-])c1cccc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c1 ZINC000475624453 890561286 /nfs/dbraw/zinc/56/12/86/890561286.db2.gz JXVPXTOMWSOWRS-HNNXBMFYSA-N 0 0 419.197 4.199 20 5 HIBDRN CC[C@H]1Oc2cc([C@@H](C)NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)ccc2NC1=O ZINC000475635582 890575642 /nfs/dbraw/zinc/57/56/42/890575642.db2.gz CAIMMSWDLIJQTB-FZKQIMNGSA-N 0 0 412.446 4.204 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000475641221 890584222 /nfs/dbraw/zinc/58/42/22/890584222.db2.gz SZNBNWHOAABPKC-TZIWHRDSSA-N 0 0 405.458 4.458 20 5 HIBDRN COC(=O)COc1ccc(CN2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475706052 890642885 /nfs/dbraw/zinc/64/28/85/890642885.db2.gz NFAYBENZDUVMEO-RHSMWYFYSA-N 0 0 402.447 4.021 20 5 HIBDRN COC(=O)COc1ccc(CN2CC[C@H](C)C[C@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475706056 890643227 /nfs/dbraw/zinc/64/32/27/890643227.db2.gz NFAYBENZDUVMEO-YOEHRIQHSA-N 0 0 402.447 4.021 20 5 HIBDRN COc1cccc(-c2nc(COc3ccc([N+](=O)[O-])c(OC)c3)cs2)c1OC ZINC000475868062 890805784 /nfs/dbraw/zinc/80/57/84/890805784.db2.gz SKFPBBFSFPVYKN-UHFFFAOYSA-N 0 0 402.428 4.323 20 5 HIBDRN COC[C@H](Cc1ccccc1)N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475886191 890819786 /nfs/dbraw/zinc/81/97/86/890819786.db2.gz ZITVZJSVAHRGSN-SFHVURJKSA-N 0 0 411.483 4.048 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2c(F)ccc(F)c21 ZINC000475912000 890840048 /nfs/dbraw/zinc/84/00/48/890840048.db2.gz QICRESKAFHIPNQ-UHFFFAOYSA-N 0 0 408.426 4.205 20 5 HIBDRN COc1ccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OCCOC(C)C)c1 ZINC000475916510 890843688 /nfs/dbraw/zinc/84/36/88/890843688.db2.gz FKVRJKJCKBAWCN-INIZCTEOSA-N 0 0 416.474 4.207 20 5 HIBDRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000475964715 890884787 /nfs/dbraw/zinc/88/47/87/890884787.db2.gz FIZQQSXVWIWUNT-CHWSQXEVSA-N 0 0 404.850 4.284 20 5 HIBDRN COc1c(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000476062039 890991293 /nfs/dbraw/zinc/99/12/93/890991293.db2.gz NFYPFPLRISRLFN-SSEXGKCCSA-N 0 0 424.478 4.305 20 5 HIBDRN COc1c(C(=O)N[C@H](COCc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000476095430 891017166 /nfs/dbraw/zinc/01/71/66/891017166.db2.gz LYGAJJQWASHHMG-HXUWFJFHSA-N 0 0 406.438 4.291 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)Oc3c(Cl)cccc32)cc1SC ZINC000476107798 891028993 /nfs/dbraw/zinc/02/89/93/891028993.db2.gz IMVXDGPNPFYALZ-JTQLQIEISA-N 0 0 408.863 4.406 20 5 HIBDRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c(C)c1 ZINC000476125385 891047265 /nfs/dbraw/zinc/04/72/65/891047265.db2.gz ADVSJRQPVCIAND-LJQANCHMSA-N 0 0 403.442 4.061 20 5 HIBDRN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000476126443 891048404 /nfs/dbraw/zinc/04/84/04/891048404.db2.gz AUVXSIOGUJZFEQ-RTWAWAEBSA-N 0 0 419.485 4.282 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000476168145 891097325 /nfs/dbraw/zinc/09/73/25/891097325.db2.gz RJVZRUKBEWHQIE-MRVPVSSYSA-N 0 0 404.728 4.379 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](COC(F)F)C1 ZINC000476184906 891116560 /nfs/dbraw/zinc/11/65/60/891116560.db2.gz ZRLHPGYVGQDZLY-CYBMUJFWSA-N 0 0 407.373 4.480 20 5 HIBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476184298 891116596 /nfs/dbraw/zinc/11/65/96/891116596.db2.gz XEYHLWKNTUCUFW-FGAFXAAGSA-N 0 0 409.442 4.274 20 5 HIBDRN COCc1ccccc1CNC(=O)CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476194474 891126330 /nfs/dbraw/zinc/12/63/30/891126330.db2.gz FUVLPZRYWSDGMO-UHFFFAOYSA-N 0 0 421.453 4.262 20 5 HIBDRN Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000476204197 891135798 /nfs/dbraw/zinc/13/57/98/891135798.db2.gz QUEBXVNCGJNIPX-WIYYLYMNSA-N 0 0 419.485 4.015 20 5 HIBDRN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000476350981 891254947 /nfs/dbraw/zinc/25/49/47/891254947.db2.gz OWPSDHITCKRSKT-CTNGQTDRSA-N 0 0 406.463 4.134 20 5 HIBDRN Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(NC5CC5)c([N+](=O)[O-])c4)n3)cn2)n1 ZINC000504829630 913548648 /nfs/dbraw/zinc/54/86/48/913548648.db2.gz ZLXQIUVJVPCGMU-UHFFFAOYSA-N 0 0 417.429 4.084 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCN(C)Cc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000504830679 913551265 /nfs/dbraw/zinc/55/12/65/913551265.db2.gz JKMNHCOZFGSEQX-ROUUACIJSA-N 0 0 422.529 4.169 20 5 HIBDRN O=[N+]([O-])c1ccc(CSc2nnc(N3CCCCC3)n2Cc2ccco2)c(F)c1 ZINC000476508003 891421201 /nfs/dbraw/zinc/42/12/01/891421201.db2.gz OTOQPJVNPFJGHL-UHFFFAOYSA-N 0 0 417.466 4.249 20 5 HIBDRN COC(=O)c1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)nc1C1CC1 ZINC000504838933 913561958 /nfs/dbraw/zinc/56/19/58/913561958.db2.gz QWEHLIWBPLQMSK-UHFFFAOYSA-N 0 0 411.461 4.377 20 5 HIBDRN C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c2cccc(F)c2O1 ZINC000476609548 891543868 /nfs/dbraw/zinc/54/38/68/891543868.db2.gz LNVLARMGEJNBIG-QMMMGPOBSA-N 0 0 421.233 4.017 20 5 HIBDRN C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000504855636 913582841 /nfs/dbraw/zinc/58/28/41/913582841.db2.gz CJEFMGHCMHITND-YOEHRIQHSA-N 0 0 417.893 4.236 20 5 HIBDRN C[C@@H](NC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1cccc([N+](=O)[O-])c1 ZINC000504856205 913583107 /nfs/dbraw/zinc/58/31/07/913583107.db2.gz FLQLZGVDRKZONF-GFCCVEGCSA-N 0 0 408.380 4.355 20 5 HIBDRN CC(C)Oc1cc(CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C2CC2)ccn1 ZINC000504865646 913594450 /nfs/dbraw/zinc/59/44/50/913594450.db2.gz YMWAXWTWCIMYHS-UHFFFAOYSA-N 0 0 403.866 4.164 20 5 HIBDRN CN(c1ccc(OCc2ccc([N+](=O)[O-])cc2F)cc1)S(=O)(=O)c1ccccc1 ZINC000476820855 891805035 /nfs/dbraw/zinc/80/50/35/891805035.db2.gz LTYRLUYXPIBZIZ-UHFFFAOYSA-N 0 0 416.430 4.138 20 5 HIBDRN COc1ccc(CNC(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000476884907 891842900 /nfs/dbraw/zinc/84/29/00/891842900.db2.gz LSWFIDSCQMJMLM-UHFFFAOYSA-N 0 0 403.866 4.346 20 5 HIBDRN Cc1nc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000476922413 891870157 /nfs/dbraw/zinc/87/01/57/891870157.db2.gz LFKDGNJSVVLUBX-UHFFFAOYSA-N 0 0 415.833 4.297 20 5 HIBDRN Cn1c(-c2nc(-c3ccc(Cn4cnc5ccccc54)cc3)no2)ccc1[N+](=O)[O-] ZINC000504878241 913607182 /nfs/dbraw/zinc/60/71/82/913607182.db2.gz AKBRDCCCMNTZJU-UHFFFAOYSA-N 0 0 400.398 4.048 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCC[C@H]3C[C@H](C)O)cc2[N+](=O)[O-])cc1 ZINC000504878082 913607642 /nfs/dbraw/zinc/60/76/42/913607642.db2.gz YKAIFSNEVIBJNV-RDJZCZTQSA-N 0 0 400.500 4.430 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000477011664 891939728 /nfs/dbraw/zinc/93/97/28/891939728.db2.gz JRJZWXDIAFIXGV-UHFFFAOYSA-N 0 0 421.240 4.357 20 5 HIBDRN Cc1ccnc(Oc2ccc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2)n1 ZINC000477084501 892017405 /nfs/dbraw/zinc/01/74/05/892017405.db2.gz DQXARWJTKBVPLP-UHFFFAOYSA-N 0 0 407.430 4.192 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477092484 892026701 /nfs/dbraw/zinc/02/67/01/892026701.db2.gz USKULJFQRRKGMY-CQSZACIVSA-N 0 0 413.449 4.096 20 5 HIBDRN COc1c(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cccc1[N+](=O)[O-] ZINC000477104974 892037502 /nfs/dbraw/zinc/03/75/02/892037502.db2.gz ZOSSDRXKPNIGFK-CQSZACIVSA-N 0 0 410.455 4.175 20 5 HIBDRN CCOCCOc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000477210152 892140104 /nfs/dbraw/zinc/14/01/04/892140104.db2.gz XLSYQAGTQDXCKB-CYBMUJFWSA-N 0 0 407.854 4.103 20 5 HIBDRN Cc1ccc(I)cc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000477229158 892165839 /nfs/dbraw/zinc/16/58/39/892165839.db2.gz QHIVJHNGKGFRSO-UHFFFAOYSA-N 0 0 422.222 4.101 20 5 HIBDRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000477353690 892319174 /nfs/dbraw/zinc/31/91/74/892319174.db2.gz UOAORHAUKGKJAQ-LLVKDONJSA-N 0 0 416.821 4.106 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000477365919 892330766 /nfs/dbraw/zinc/33/07/66/892330766.db2.gz MSJFTIPNQWCMAV-UHFFFAOYSA-N 0 0 406.486 4.394 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-] ZINC000477375481 892336660 /nfs/dbraw/zinc/33/66/60/892336660.db2.gz QNMXQFXVXZAESB-UHFFFAOYSA-N 0 0 405.454 4.109 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000477377726 892337809 /nfs/dbraw/zinc/33/78/09/892337809.db2.gz VMONAYRPTDGUBT-UHFFFAOYSA-N 0 0 421.409 4.137 20 5 HIBDRN COc1ccc([C@@H]2CCN(C(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)C2)cc1 ZINC000504920179 913655879 /nfs/dbraw/zinc/65/58/79/913655879.db2.gz SLVRVLQNSBQVKW-FXAWDEMLSA-N 0 0 423.513 4.469 20 5 HIBDRN O=c1c(Br)cn(CCCOc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000477424472 892376816 /nfs/dbraw/zinc/37/68/16/892376816.db2.gz PZRSPWHOMOUIHH-UHFFFAOYSA-N 0 0 403.232 4.141 20 5 HIBDRN Cc1c(C(=O)NCc2cc(Br)ccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000504921255 913658636 /nfs/dbraw/zinc/65/86/36/913658636.db2.gz XUCVSLHFKCIFNC-UHFFFAOYSA-N 0 0 415.190 4.197 20 5 HIBDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477446776 892398462 /nfs/dbraw/zinc/39/84/62/892398462.db2.gz LZDARGJAJIWLCW-UHFFFAOYSA-N 0 0 418.881 4.059 20 5 HIBDRN CCOc1ccc([C@@H](C)N[C@H](c2nccn2C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000504929395 913668294 /nfs/dbraw/zinc/66/82/94/913668294.db2.gz IOCQKYQSLNRAEV-VFNWGFHPSA-N 0 0 410.474 4.176 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000477606588 892691973 /nfs/dbraw/zinc/69/19/73/892691973.db2.gz UJNPHDAKGMACCK-UHFFFAOYSA-N 0 0 406.263 4.476 20 5 HIBDRN CCOC[C@@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000477615769 892713650 /nfs/dbraw/zinc/71/36/50/892713650.db2.gz ZOXHXWJVUUPZCX-CYBMUJFWSA-N 0 0 407.517 4.010 20 5 HIBDRN Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000477679378 892807103 /nfs/dbraw/zinc/80/71/03/892807103.db2.gz ZTPSWHUFXZZALQ-UHFFFAOYSA-N 0 0 419.210 4.149 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc([N+](=O)[O-])c1C ZINC000477680890 892808159 /nfs/dbraw/zinc/80/81/59/892808159.db2.gz RORJIKDDHDHHLC-FQEVSTJZSA-N 0 0 411.845 4.480 20 5 HIBDRN Cc1nc(-c2ccccc2NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cs1 ZINC000477694164 892812851 /nfs/dbraw/zinc/81/28/51/892812851.db2.gz NVWGUVBGPSLEQM-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC(c2nc3ccccc3s2)C1 ZINC000477712860 892822930 /nfs/dbraw/zinc/82/29/30/892822930.db2.gz BPOUVENOBVGYKL-NSHDSACASA-N 0 0 417.874 4.251 20 5 HIBDRN COC(=O)c1cnc(N2CCC(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000477716960 892824411 /nfs/dbraw/zinc/82/44/11/892824411.db2.gz IVCNRRGJXVMOKT-UHFFFAOYSA-N 0 0 409.364 4.179 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000477764840 892852856 /nfs/dbraw/zinc/85/28/56/892852856.db2.gz HQRNKWGMBIMGKP-JSGCOSHPSA-N 0 0 406.280 4.198 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000477803550 892877543 /nfs/dbraw/zinc/87/75/43/892877543.db2.gz SMWGHZISKNWYRH-MNOVXSKESA-N 0 0 410.293 4.110 20 5 HIBDRN Cc1oc2ccc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc2c1C ZINC000477908478 892981705 /nfs/dbraw/zinc/98/17/05/892981705.db2.gz CBNZDLIIMRIDIE-UHFFFAOYSA-N 0 0 423.454 4.490 20 5 HIBDRN COc1ccc(N(CCC(C)C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000477912715 892991258 /nfs/dbraw/zinc/99/12/58/892991258.db2.gz BKUYOCJNFQNGES-UHFFFAOYSA-N 0 0 408.458 4.482 20 5 HIBDRN COc1ccc(N(CCC(C)C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000477923657 893010377 /nfs/dbraw/zinc/01/03/77/893010377.db2.gz PQXACVPHJGIUPO-UHFFFAOYSA-N 0 0 408.458 4.482 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000477998607 893099758 /nfs/dbraw/zinc/09/97/58/893099758.db2.gz YNQXQNTWRVKXNM-ZWNOBZJWSA-N 0 0 406.261 4.186 20 5 HIBDRN Cc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000504987112 913732855 /nfs/dbraw/zinc/73/28/55/913732855.db2.gz TVOGBAZGOUCXRE-MRXNPFEDSA-N 0 0 407.430 4.365 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl ZINC000478048812 893195617 /nfs/dbraw/zinc/19/56/17/893195617.db2.gz SYUYULQMQKZFBV-UHFFFAOYSA-N 0 0 416.909 4.165 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2nc3cc(F)c(C)cc3s2)cc([N+](=O)[O-])c1 ZINC000478062034 893219957 /nfs/dbraw/zinc/21/99/57/893219957.db2.gz CABHHGNOUFLMPW-UHFFFAOYSA-N 0 0 403.391 4.081 20 5 HIBDRN CC(=O)c1ccc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)nc1C ZINC000478063761 893224821 /nfs/dbraw/zinc/22/48/21/893224821.db2.gz PEPJHABXVDKQKY-UHFFFAOYSA-N 0 0 404.426 4.174 20 5 HIBDRN CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc4ccccc4c4cccnc34)c2)C1=O ZINC000478108592 893272887 /nfs/dbraw/zinc/27/28/87/893272887.db2.gz PHAYWFQJDABQOF-OAQYLSRUSA-N 0 0 424.460 4.475 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000478121581 893291438 /nfs/dbraw/zinc/29/14/38/893291438.db2.gz XMGASMQDLTZTGV-UHFFFAOYSA-N 0 0 405.454 4.192 20 5 HIBDRN CCn1c(CNc2ncc(Cl)cc2[N+](=O)[O-])nc2cc(Br)ccc21 ZINC000478130118 893303639 /nfs/dbraw/zinc/30/36/39/893303639.db2.gz DKJJJEJDAIBXNQ-UHFFFAOYSA-N 0 0 410.659 4.387 20 5 HIBDRN COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3Br)n2C)cc1 ZINC000478202754 893364599 /nfs/dbraw/zinc/36/45/99/893364599.db2.gz WIWQOBGLZSLUNV-UHFFFAOYSA-N 0 0 421.276 4.313 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cc(Cl)c(Cl)cc1OC ZINC000478253940 893428524 /nfs/dbraw/zinc/42/85/24/893428524.db2.gz QCNAPYORMCKSNY-VIFPVBQESA-N 0 0 414.245 4.358 20 5 HIBDRN COC(=O)c1cnc(NCc2ccc(OC(C)C)cc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000478273650 893468441 /nfs/dbraw/zinc/46/84/41/893468441.db2.gz AHBSDDZSNWIPER-UHFFFAOYSA-N 0 0 413.352 4.195 20 5 HIBDRN COc1ccc(-c2nc(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)cs2)cc1OC ZINC000505031522 913773138 /nfs/dbraw/zinc/77/31/38/913773138.db2.gz ZQOJUBMPIPILOZ-UHFFFAOYSA-N 0 0 424.438 4.376 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000478338323 893577018 /nfs/dbraw/zinc/57/70/18/893577018.db2.gz JTSFIXAJNJROMW-QKKBWIMNSA-N 0 0 416.861 4.064 20 5 HIBDRN COc1ccc(OC[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)cc1[N+](=O)[O-] ZINC000478398607 893682246 /nfs/dbraw/zinc/68/22/46/893682246.db2.gz KMNUGLJZGDITAG-NTKDMRAZSA-N 0 0 423.465 4.458 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000505062190 913800788 /nfs/dbraw/zinc/80/07/88/913800788.db2.gz KGFPNQYFSIYTSS-PXAZEXFGSA-N 0 0 417.874 4.378 20 5 HIBDRN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000478477957 893803763 /nfs/dbraw/zinc/80/37/63/893803763.db2.gz UQUFSVNCAHWVOX-UHFFFAOYSA-N 0 0 400.410 4.202 20 5 HIBDRN Nc1c(C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc(F)cc1[N+](=O)[O-] ZINC000505075410 913806242 /nfs/dbraw/zinc/80/62/42/913806242.db2.gz FYUYHTRNWOUIDR-GOSISDBHSA-N 0 0 407.401 4.237 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c1C ZINC000478489132 893809439 /nfs/dbraw/zinc/80/94/39/893809439.db2.gz MADRLLBYVILDKE-NSHDSACASA-N 0 0 416.821 4.106 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(NC(=O)N(C)C)cc1 ZINC000478539229 893839116 /nfs/dbraw/zinc/83/91/16/893839116.db2.gz OFXVIDITNHKMIH-UHFFFAOYSA-N 0 0 416.503 4.120 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H](CCCCc1ccccc1)c1ccccc1 ZINC000478581183 893858798 /nfs/dbraw/zinc/85/87/98/893858798.db2.gz DKLIPXTZIRCZMN-JOCHJYFZSA-N 0 0 419.481 4.027 20 5 HIBDRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000478637830 893889989 /nfs/dbraw/zinc/88/99/89/893889989.db2.gz YLIKESURVYLRFY-UHFFFAOYSA-N 0 0 420.421 4.142 20 5 HIBDRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000478684169 893938246 /nfs/dbraw/zinc/93/82/46/893938246.db2.gz BBJJSNWMXODLBU-SFHVURJKSA-N 0 0 418.375 4.074 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)on1 ZINC000478684668 893939244 /nfs/dbraw/zinc/93/92/44/893939244.db2.gz DCFGLZLMCBRWLY-UHFFFAOYSA-N 0 0 421.384 4.481 20 5 HIBDRN Cc1cccc2c1N(C1CC1)CCN2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000478701172 893963783 /nfs/dbraw/zinc/96/37/83/893963783.db2.gz MLQMQRXAJJXZGY-UHFFFAOYSA-N 0 0 423.516 4.479 20 5 HIBDRN CC(=O)N[C@@H](C)C1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000478704016 893967455 /nfs/dbraw/zinc/96/74/55/893967455.db2.gz YRBAXPVGSVRGSO-HNNXBMFYSA-N 0 0 421.563 4.110 20 5 HIBDRN CN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000478763500 894039821 /nfs/dbraw/zinc/03/98/21/894039821.db2.gz RKXOFPINQCPOKV-INIZCTEOSA-N 0 0 403.866 4.111 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000478764174 894040800 /nfs/dbraw/zinc/04/08/00/894040800.db2.gz WTHFORWFTRCHNI-UHFFFAOYSA-N 0 0 406.826 4.477 20 5 HIBDRN C[C@H](NC(=O)N(C)Cc1ccc(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000478796159 894070812 /nfs/dbraw/zinc/07/08/12/894070812.db2.gz JOQKQAMYDNFTRA-NSHDSACASA-N 0 0 410.243 4.399 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C12CCCCC2 ZINC000478852176 894130818 /nfs/dbraw/zinc/13/08/18/894130818.db2.gz VOWSOCCAIGISQF-LEWJYISDSA-N 0 0 415.534 4.055 20 5 HIBDRN COc1cc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc([N+](=O)[O-])c1C ZINC000478853457 894132374 /nfs/dbraw/zinc/13/23/74/894132374.db2.gz KEWLWZPPKMLLIH-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc([N+](=O)[O-])c1C ZINC000478873241 894150999 /nfs/dbraw/zinc/15/09/99/894150999.db2.gz QVEFSOMUJPMWFJ-UHFFFAOYSA-N 0 0 411.458 4.180 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1csc(-c2ccco2)n1 ZINC000478884776 894165118 /nfs/dbraw/zinc/16/51/18/894165118.db2.gz LWPZZPAZQJSTSN-JTQLQIEISA-N 0 0 407.835 4.048 20 5 HIBDRN COc1ccccc1C[C@H]1CCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000478895369 894176549 /nfs/dbraw/zinc/17/65/49/894176549.db2.gz CQMGNJAPODRICN-CRAIPNDOSA-N 0 0 400.500 4.318 20 5 HIBDRN COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1OC ZINC000478976122 894251961 /nfs/dbraw/zinc/25/19/61/894251961.db2.gz MJWDZVYBXVDVJB-UHFFFAOYSA-N 0 0 418.515 4.333 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000479084927 894350130 /nfs/dbraw/zinc/35/01/30/894350130.db2.gz ZJVUVSUUAZVOCO-UHFFFAOYSA-N 0 0 419.865 4.056 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000505185480 913868776 /nfs/dbraw/zinc/86/87/76/913868776.db2.gz QMZCVVAEXNXKFF-VQTJNVASSA-N 0 0 416.449 4.333 20 5 HIBDRN COc1cc(C(=O)NCc2csc(CCc3ccccc3)n2)cc([N+](=O)[O-])c1C ZINC000479160226 894430858 /nfs/dbraw/zinc/43/08/58/894430858.db2.gz ITHLDFFUQYGQKO-UHFFFAOYSA-N 0 0 411.483 4.084 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1[N+](=O)[O-] ZINC000505188897 913871286 /nfs/dbraw/zinc/87/12/86/913871286.db2.gz GPKODMLCSRMXBF-ZWKOTPCHSA-N 0 0 402.472 4.251 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000479206187 894470075 /nfs/dbraw/zinc/47/00/75/894470075.db2.gz GAQLRYKRQHZYTA-JTQLQIEISA-N 0 0 419.894 4.062 20 5 HIBDRN COC(=O)[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)c(Cl)c1 ZINC000479241774 894504953 /nfs/dbraw/zinc/50/49/53/894504953.db2.gz KGFGUCZEFIVDJP-SFHVURJKSA-N 0 0 411.241 4.028 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000479250365 894515010 /nfs/dbraw/zinc/51/50/10/894515010.db2.gz RSKKSVOQVJLCGZ-OAHLLOKOSA-N 0 0 418.291 4.081 20 5 HIBDRN COC(=O)[C@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(Cl)c(Cl)c1 ZINC000479252864 894518361 /nfs/dbraw/zinc/51/83/61/894518361.db2.gz LDSHPYORHIFUCV-MRXNPFEDSA-N 0 0 417.270 4.090 20 5 HIBDRN Cc1cccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c1[N+](=O)[O-] ZINC000479257908 894525401 /nfs/dbraw/zinc/52/54/01/894525401.db2.gz YIEXEEUDGBJMRJ-MRXNPFEDSA-N 0 0 423.238 4.019 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000505203027 913881235 /nfs/dbraw/zinc/88/12/35/913881235.db2.gz GQCVSVQUQPHBTL-MOPGFXCFSA-N 0 0 404.850 4.112 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000479271086 894545196 /nfs/dbraw/zinc/54/51/96/894545196.db2.gz OPRBIKIWKKRHTO-XIKOKIGWSA-N 0 0 424.881 4.468 20 5 HIBDRN O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000505204956 913881915 /nfs/dbraw/zinc/88/19/15/913881915.db2.gz QQYYKGHYKNCVQP-AEFFLSMTSA-N 0 0 422.384 4.131 20 5 HIBDRN COc1cc(C(=O)NCCSc2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000479305785 894591965 /nfs/dbraw/zinc/59/19/65/894591965.db2.gz XFGCHEYNIZZGOP-UHFFFAOYSA-N 0 0 412.414 4.035 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000479374036 894675081 /nfs/dbraw/zinc/67/50/81/894675081.db2.gz HJUDZPJISLZUFL-UHFFFAOYSA-N 0 0 413.861 4.119 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OCc2cccnc2)c1 ZINC000479383350 894684079 /nfs/dbraw/zinc/68/40/79/894684079.db2.gz XAXZTRGMIMGAAF-UHFFFAOYSA-N 0 0 411.845 4.195 20 5 HIBDRN O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479398283 894701039 /nfs/dbraw/zinc/70/10/39/894701039.db2.gz WXPJZZBTFRGBEG-GOSISDBHSA-N 0 0 406.417 4.286 20 5 HIBDRN CC(C)CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCCc2cccnc21 ZINC000479399812 894703009 /nfs/dbraw/zinc/70/30/09/894703009.db2.gz XUDAXGSWINPGIL-OAQYLSRUSA-N 0 0 419.485 4.351 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccc4c(c3)CN(C)C(=O)N4)o2)c([N+](=O)[O-])c1 ZINC000479428221 894741578 /nfs/dbraw/zinc/74/15/78/894741578.db2.gz VVBOXXURGBASLZ-UHFFFAOYSA-N 0 0 408.414 4.453 20 5 HIBDRN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000479536787 894841341 /nfs/dbraw/zinc/84/13/41/894841341.db2.gz AAFJBAXFPCKYJV-UHFFFAOYSA-N 0 0 420.450 4.470 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000505254721 913908603 /nfs/dbraw/zinc/90/86/03/913908603.db2.gz NIFVNILEWHYCNQ-SFTDATJTSA-N 0 0 413.474 4.108 20 5 HIBDRN O=[N+]([O-])c1ccccc1CNCc1cc(Br)ccc1Br ZINC000479578469 894870039 /nfs/dbraw/zinc/87/00/39/894870039.db2.gz LGMGOFFOXXOWGZ-UHFFFAOYSA-N 0 0 400.070 4.410 20 5 HIBDRN COc1cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)cc([N+](=O)[O-])c1C ZINC000479656391 894929597 /nfs/dbraw/zinc/92/95/97/894929597.db2.gz DZEMYKXGZRTTHQ-UHFFFAOYSA-N 0 0 405.454 4.458 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1C(F)(F)F ZINC000479664508 894940645 /nfs/dbraw/zinc/94/06/45/894940645.db2.gz IZOLGLHLHXEIAP-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)cc1OC ZINC000479671639 894952127 /nfs/dbraw/zinc/95/21/27/894952127.db2.gz GTEZNOAMEHHRKY-CWTRNNRKSA-N 0 0 422.865 4.162 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000479672064 894952192 /nfs/dbraw/zinc/95/21/92/894952192.db2.gz HRFSDKWYLWKTSM-NSHDSACASA-N 0 0 412.412 4.125 20 5 HIBDRN O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000505263021 913919532 /nfs/dbraw/zinc/91/95/32/913919532.db2.gz ZOGJBKCQLKORPN-UXHICEINSA-N 0 0 407.426 4.078 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1noc(C)n1 ZINC000505263848 913921131 /nfs/dbraw/zinc/92/11/31/913921131.db2.gz HTFIVAHJPRPYMY-LJQANCHMSA-N 0 0 424.457 4.112 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000479707039 895001271 /nfs/dbraw/zinc/00/12/71/895001271.db2.gz AIWFGZPASMIFLI-MRXNPFEDSA-N 0 0 424.226 4.102 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)cc1OC ZINC000479714697 895010133 /nfs/dbraw/zinc/01/01/33/895010133.db2.gz OWNCSXNQOMSMHY-UHFFFAOYSA-N 0 0 415.427 4.084 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000479724854 895022067 /nfs/dbraw/zinc/02/20/67/895022067.db2.gz WTHQWOFACZWAIZ-AEFFLSMTSA-N 0 0 407.829 4.025 20 5 HIBDRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000479787251 895090627 /nfs/dbraw/zinc/09/06/27/895090627.db2.gz YDMCWCIVVGFTHZ-HNNXBMFYSA-N 0 0 421.291 4.459 20 5 HIBDRN CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000505277185 913934176 /nfs/dbraw/zinc/93/41/76/913934176.db2.gz NTTUJQREJJEJSG-NSHDSACASA-N 0 0 404.385 4.196 20 5 HIBDRN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000479808686 895116561 /nfs/dbraw/zinc/11/65/61/895116561.db2.gz VZHJZLWSZZBGCN-UHFFFAOYSA-N 0 0 412.471 4.069 20 5 HIBDRN O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000479813515 895125281 /nfs/dbraw/zinc/12/52/81/895125281.db2.gz FRRSNFBREFJLRT-UHFFFAOYSA-N 0 0 415.203 4.192 20 5 HIBDRN COc1cc(C(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)cc([N+](=O)[O-])c1C ZINC000479857003 895191414 /nfs/dbraw/zinc/19/14/14/895191414.db2.gz CIDPDHKJYXOCNK-UHFFFAOYSA-N 0 0 403.382 4.052 20 5 HIBDRN CCc1nn(C)c(CC)c1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000479883028 895227681 /nfs/dbraw/zinc/22/76/81/895227681.db2.gz QNDWRLZYLDUXQD-UHFFFAOYSA-N 0 0 406.486 4.229 20 5 HIBDRN O=[N+]([O-])c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)c(F)c1 ZINC000479893974 895240462 /nfs/dbraw/zinc/24/04/62/895240462.db2.gz SHYBXRLXMPBOKM-UHFFFAOYSA-N 0 0 403.417 4.271 20 5 HIBDRN CCC(=O)c1ccc(N[C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)c([N+](=O)[O-])c1 ZINC000479934593 895284414 /nfs/dbraw/zinc/28/44/14/895284414.db2.gz XJKSMFPRTOHWMN-OAQYLSRUSA-N 0 0 424.457 4.140 20 5 HIBDRN COc1cc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cc([N+](=O)[O-])c1C ZINC000479989118 895342307 /nfs/dbraw/zinc/34/23/07/895342307.db2.gz LDZJMXCASRCMIV-UHFFFAOYSA-N 0 0 411.483 4.316 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CO)(c2ccccc2)CC1 ZINC000480028061 895377027 /nfs/dbraw/zinc/37/70/27/895377027.db2.gz WVOSABFLTRNKQI-UHFFFAOYSA-N 0 0 414.527 4.263 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Sc3ncccn3)cc2C)cc([N+](=O)[O-])c1C ZINC000480031192 895380259 /nfs/dbraw/zinc/38/02/59/895380259.db2.gz NJQNQDSDDATUAQ-UHFFFAOYSA-N 0 0 410.455 4.414 20 5 HIBDRN CCCc1c(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnn1-c1cc(C)ccn1 ZINC000480050273 895398552 /nfs/dbraw/zinc/39/85/52/895398552.db2.gz XPVOXWOYPNPMRC-UHFFFAOYSA-N 0 0 422.489 4.143 20 5 HIBDRN Cc1c(CNC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)cccc1[N+](=O)[O-] ZINC000480052185 895399824 /nfs/dbraw/zinc/39/98/24/895399824.db2.gz CCHIFYCVURLYPZ-UHFFFAOYSA-N 0 0 409.486 4.493 20 5 HIBDRN Cc1c(CNC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000480068679 895418540 /nfs/dbraw/zinc/41/85/40/895418540.db2.gz JIOALYIKIVEMMU-MRXNPFEDSA-N 0 0 419.865 4.436 20 5 HIBDRN Cc1c(CNC(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000480067623 895418681 /nfs/dbraw/zinc/41/86/81/895418681.db2.gz MVJNGXMUQWEZNX-QUCCMNQESA-N 0 0 401.438 4.104 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000480073151 895424836 /nfs/dbraw/zinc/42/48/36/895424836.db2.gz VPKXGDUVGOCTMI-FQEVSTJZSA-N 0 0 407.474 4.320 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000480102671 895470915 /nfs/dbraw/zinc/47/09/15/895470915.db2.gz HDTIWHHZQPDXIJ-MRVPVSSYSA-N 0 0 404.776 4.115 20 5 HIBDRN CCC(=O)c1ccc(N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c([N+](=O)[O-])c1 ZINC000480119045 895493786 /nfs/dbraw/zinc/49/37/86/895493786.db2.gz PSQYFDXFGTZVDC-MRXNPFEDSA-N 0 0 409.421 4.012 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)cc2)cs1 ZINC000480125358 895500196 /nfs/dbraw/zinc/50/01/96/895500196.db2.gz IHGBPFYCULWMCT-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000505312974 913975586 /nfs/dbraw/zinc/97/55/86/913975586.db2.gz CLUKVINTKVORTK-IBGZPJMESA-N 0 0 417.425 4.494 20 5 HIBDRN Cc1cc(Br)ccc1N(C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480199922 895598308 /nfs/dbraw/zinc/59/83/08/895598308.db2.gz RPTQXCHTIMDXFT-UHFFFAOYSA-N 0 0 413.293 4.108 20 5 HIBDRN O=C(NCc1ccc(COCc2ccccc2)cc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000480212425 895616436 /nfs/dbraw/zinc/61/64/36/895616436.db2.gz IBQCOOSCQBIGFX-UHFFFAOYSA-N 0 0 416.437 4.118 20 5 HIBDRN Cn1c(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)nc2cccnc21 ZINC000505323043 913985042 /nfs/dbraw/zinc/98/50/42/913985042.db2.gz ORHFPMRNKUOPKW-UHFFFAOYSA-N 0 0 405.439 4.280 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCC3)c3ccccc32)c(C(F)(F)F)c1 ZINC000480225781 895629701 /nfs/dbraw/zinc/62/97/01/895629701.db2.gz OALRAYMGSNVRAT-UHFFFAOYSA-N 0 0 412.389 4.244 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c1[N+](=O)[O-] ZINC000480248320 895658730 /nfs/dbraw/zinc/65/87/30/895658730.db2.gz NYXDHIQGXDDJRD-UHFFFAOYSA-N 0 0 421.219 4.053 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000480283055 895689097 /nfs/dbraw/zinc/68/90/97/895689097.db2.gz BUGULIFSSOHVRL-OAHLLOKOSA-N 0 0 419.437 4.347 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000505327835 913992474 /nfs/dbraw/zinc/99/24/74/913992474.db2.gz ZHLCUZVNFVPWEM-OAHLLOKOSA-N 0 0 409.467 4.008 20 5 HIBDRN CC1(c2ccc(Cl)cc2)CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000480336391 895739835 /nfs/dbraw/zinc/73/98/35/895739835.db2.gz ONXPLLJCHOOJBD-UHFFFAOYSA-N 0 0 408.907 4.210 20 5 HIBDRN O=C(Nc1ccc(OCC(F)F)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000480355272 895759759 /nfs/dbraw/zinc/75/97/59/895759759.db2.gz QNDCPKDDYONWBI-UHFFFAOYSA-N 0 0 420.290 4.432 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000480381450 895787831 /nfs/dbraw/zinc/78/78/31/895787831.db2.gz SVKNVSHUVBOUGN-UHFFFAOYSA-N 0 0 414.531 4.268 20 5 HIBDRN CCS[C@H]1CCCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000480430590 895824010 /nfs/dbraw/zinc/82/40/10/895824010.db2.gz IHYFCDYPTICUEZ-ZDUSSCGKSA-N 0 0 406.426 4.284 20 5 HIBDRN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480434046 895826373 /nfs/dbraw/zinc/82/63/73/895826373.db2.gz FNPZTHVRZBKTFZ-HOTGVXAUSA-N 0 0 415.660 4.285 20 5 HIBDRN CCCC[C@H](Sc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C(=O)OC ZINC000480553225 895912895 /nfs/dbraw/zinc/91/28/95/895912895.db2.gz JNNNQFHUGXMMKE-VIFPVBQESA-N 0 0 402.341 4.468 20 5 HIBDRN COC(=O)[C@@H](Cc1ccc(C)cc1)Sc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000480565374 895927359 /nfs/dbraw/zinc/92/73/59/895927359.db2.gz FVMQWGSODCOIME-CQSZACIVSA-N 0 0 400.378 4.193 20 5 HIBDRN COc1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc([N+](=O)[O-])c1C ZINC000480582072 895943737 /nfs/dbraw/zinc/94/37/37/895943737.db2.gz QHCXIYYFUGQMRB-AWEZNQCLSA-N 0 0 400.328 4.474 20 5 HIBDRN CCCCNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC)cc1 ZINC000480625588 895992914 /nfs/dbraw/zinc/99/29/14/895992914.db2.gz UEUPYSTXBSMZMW-UHFFFAOYSA-N 0 0 415.515 4.167 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000480654607 896022477 /nfs/dbraw/zinc/02/24/77/896022477.db2.gz UHZYIUADNXBUJG-UHFFFAOYSA-N 0 0 404.444 4.093 20 5 HIBDRN COC(=O)[C@]1(C)CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000505364130 914028618 /nfs/dbraw/zinc/02/86/18/914028618.db2.gz LQLFISSACLEJJO-SPLOXXLWSA-N 0 0 413.430 4.050 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccccc2NCCCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000480817474 896189996 /nfs/dbraw/zinc/18/99/96/896189996.db2.gz BRESRVGVGRLUDS-UHFFFAOYSA-N 0 0 421.501 4.482 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C(=O)N1Cc2ccccc2C1 ZINC000480824370 896199315 /nfs/dbraw/zinc/19/93/15/896199315.db2.gz CRXPFQBCHPHIHQ-MRXNPFEDSA-N 0 0 415.449 4.169 20 5 HIBDRN CC(C)(C)[C@@H]1C[C@@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000480997918 896330393 /nfs/dbraw/zinc/33/03/93/896330393.db2.gz FUQYKSCUFRNBOL-BBRMVZONSA-N 0 0 417.428 4.126 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C(F)(F)F)cc1 ZINC000505398360 914062488 /nfs/dbraw/zinc/06/24/88/914062488.db2.gz XARMFIRQKWBXBP-AWEZNQCLSA-N 0 0 420.290 4.238 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H](C)SC)cc1[N+](=O)[O-] ZINC000505399050 914064064 /nfs/dbraw/zinc/06/40/64/914064064.db2.gz BXUILKNWFWKBCU-GFCCVEGCSA-N 0 0 404.513 4.029 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000505401117 914066008 /nfs/dbraw/zinc/06/60/08/914066008.db2.gz AUGIIXCJNKHOQO-OAHLLOKOSA-N 0 0 400.378 4.359 20 5 HIBDRN CNC(=O)C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 ZINC000481110897 896433459 /nfs/dbraw/zinc/43/34/59/896433459.db2.gz NSUNLDXMMXSDGE-HXUWFJFHSA-N 0 0 403.438 4.115 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[C@H]2CCCCO2)cc1 ZINC000505423352 914087233 /nfs/dbraw/zinc/08/72/33/914087233.db2.gz TUUMADCVOVPMML-QGZVFWFLSA-N 0 0 400.431 4.085 20 5 HIBDRN C[C@@](O)(CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CCCCC1 ZINC000481333144 896693193 /nfs/dbraw/zinc/69/31/93/896693193.db2.gz RSZBASQXXZOGGB-HSZRJFAPSA-N 0 0 414.452 4.021 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481339512 896705135 /nfs/dbraw/zinc/70/51/35/896705135.db2.gz MFEKRWUGLQKVDJ-VBQJREDUSA-N 0 0 417.535 4.049 20 5 HIBDRN Cc1nc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1Br ZINC000481356921 896732703 /nfs/dbraw/zinc/73/27/03/896732703.db2.gz DRNGHHANGZAINJ-UHFFFAOYSA-N 0 0 405.252 4.257 20 5 HIBDRN Cc1nc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccc(Cl)cc2)no1 ZINC000481387365 896788508 /nfs/dbraw/zinc/78/85/08/896788508.db2.gz BITOWBVGSUZTLE-MRXNPFEDSA-N 0 0 401.810 4.159 20 5 HIBDRN Cc1c(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000481475880 896861643 /nfs/dbraw/zinc/86/16/43/896861643.db2.gz SSUBNVHIDDJIIT-UHFFFAOYSA-N 0 0 422.338 4.177 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CCO[C@H](c4ccc(F)cc4Cl)C3)n2)c1 ZINC000481580198 896958829 /nfs/dbraw/zinc/95/88/29/896958829.db2.gz JNXVWNYLFINXCZ-KRWDZBQOSA-N 0 0 418.812 4.011 20 5 HIBDRN CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000505451949 914119153 /nfs/dbraw/zinc/11/91/53/914119153.db2.gz VJOKUMHCFZKAPN-UHFFFAOYSA-N 0 0 422.434 4.202 20 5 HIBDRN CCC(CC)[C@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000481697181 897084425 /nfs/dbraw/zinc/08/44/25/897084425.db2.gz FPAMTWYPXNDJFC-MLGOLLRUSA-N 0 0 401.410 4.302 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1 ZINC000481834083 897200047 /nfs/dbraw/zinc/20/00/47/897200047.db2.gz IHGBIUFHWWHYLJ-UHFFFAOYSA-N 0 0 418.891 4.442 20 5 HIBDRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000481867667 897236780 /nfs/dbraw/zinc/23/67/80/897236780.db2.gz MOJHBHIJXRCTFL-LBPRGKRZSA-N 0 0 421.266 4.260 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H](c1csc2ccccc21)c1cccnc1 ZINC000481872045 897243870 /nfs/dbraw/zinc/24/38/70/897243870.db2.gz HYWBPKUWWSHABQ-HXUWFJFHSA-N 0 0 421.482 4.190 20 5 HIBDRN CCOCCC1(CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CCC1 ZINC000481892027 897268790 /nfs/dbraw/zinc/26/87/90/897268790.db2.gz JMJCORXAKXGIHJ-KRWDZBQOSA-N 0 0 403.523 4.158 20 5 HIBDRN CCCOc1cc(NC(=O)c2ccnc(C3CC3)n2)c([N+](=O)[O-])cc1OCCC ZINC000481945742 897332794 /nfs/dbraw/zinc/33/27/94/897332794.db2.gz UGEGJLNNOPEKST-UHFFFAOYSA-N 0 0 400.435 4.092 20 5 HIBDRN O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000481991905 897387643 /nfs/dbraw/zinc/38/76/43/897387643.db2.gz MOKBUDXOJJHXOL-NRFANRHFSA-N 0 0 415.405 4.451 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)c2ccncc2)cc1SC ZINC000481992471 897388580 /nfs/dbraw/zinc/38/85/80/897388580.db2.gz OMPSFYKEVLJVFX-HXUWFJFHSA-N 0 0 409.467 4.240 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000482001348 897396992 /nfs/dbraw/zinc/39/69/92/897396992.db2.gz XGCPYMMFAKIAAG-UHFFFAOYSA-N 0 0 407.517 4.311 20 5 HIBDRN CCc1ccc([C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCO2)cc1 ZINC000482028167 897436399 /nfs/dbraw/zinc/43/63/99/897436399.db2.gz FBGJOZADRRUUMG-GOSISDBHSA-N 0 0 408.376 4.390 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000482057213 897484749 /nfs/dbraw/zinc/48/47/49/897484749.db2.gz XDFCWXQNDGOAMO-HNNXBMFYSA-N 0 0 420.453 4.274 20 5 HIBDRN COc1cc(Cl)c(Cl)cc1NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000482058933 897488458 /nfs/dbraw/zinc/48/84/58/897488458.db2.gz 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ZINC000485506180 900793751 /nfs/dbraw/zinc/79/37/51/900793751.db2.gz ZLKADXJJPNOWPC-UHFFFAOYSA-N 0 0 421.500 4.470 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485509304 900796354 /nfs/dbraw/zinc/79/63/54/900796354.db2.gz ZPWHZLKASSPWJD-WMLDXEAASA-N 0 0 410.854 4.369 20 5 HIBDRN C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])Oc1ccccc1 ZINC000485559092 900832009 /nfs/dbraw/zinc/83/20/09/900832009.db2.gz HYGOAPBICWUZJQ-KRWDZBQOSA-N 0 0 406.438 4.371 20 5 HIBDRN Cc1ccc(OC(F)F)c(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000485573317 900841655 /nfs/dbraw/zinc/84/16/55/900841655.db2.gz FDOCUSGBBDPPAT-UHFFFAOYSA-N 0 0 402.300 4.036 20 5 HIBDRN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000485582149 900847704 /nfs/dbraw/zinc/84/77/04/900847704.db2.gz QXBSJBSBSYWOBL-AWEZNQCLSA-N 0 0 415.515 4.121 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)cc([N+](=O)[O-])c1OC ZINC000485599097 900859630 /nfs/dbraw/zinc/85/96/30/900859630.db2.gz YRNQTDICWZSFLG-GUDVDZBRSA-N 0 0 410.470 4.410 20 5 HIBDRN O=C(CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000505832088 914485372 /nfs/dbraw/zinc/48/53/72/914485372.db2.gz LJVCJGQDNUOASV-HNNXBMFYSA-N 0 0 421.297 4.445 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc3ncsc3c2)cc1SC ZINC000485639388 900891472 /nfs/dbraw/zinc/89/14/72/900891472.db2.gz DYPJGHVYXMDMLY-SNVBAGLBSA-N 0 0 403.485 4.426 20 5 HIBDRN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc2ncsc2c1 ZINC000485648149 900900423 /nfs/dbraw/zinc/90/04/23/900900423.db2.gz DCUWGVJUHZEFJE-SNVBAGLBSA-N 0 0 420.288 4.387 20 5 HIBDRN Cc1nc2ccccc2c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1C(C)C ZINC000485658956 900910180 /nfs/dbraw/zinc/91/01/80/900910180.db2.gz FFHILEXLXGNVBJ-UHFFFAOYSA-N 0 0 415.453 4.435 20 5 HIBDRN CCc1nn(C)c(CC)c1CC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000485664978 900915760 /nfs/dbraw/zinc/91/57/60/900915760.db2.gz BOZKEPJDOMOTPO-UHFFFAOYSA-N 0 0 422.485 4.213 20 5 HIBDRN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc2ncsc2c1 ZINC000485674711 900924847 /nfs/dbraw/zinc/92/48/47/900924847.db2.gz QJSHWLFLJRTZGE-GFCCVEGCSA-N 0 0 408.439 4.009 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC2(CCOCC2)c2ccccc21 ZINC000485676816 900928146 /nfs/dbraw/zinc/92/81/46/900928146.db2.gz BTRICFIYXISIOG-UHFFFAOYSA-N 0 0 423.288 4.127 20 5 HIBDRN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc2ncsc2c1 ZINC000485676651 900928181 /nfs/dbraw/zinc/92/81/81/900928181.db2.gz ASULANDKOMOOTG-CQSZACIVSA-N 0 0 410.499 4.298 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c(C)cc1C ZINC000485694614 900943891 /nfs/dbraw/zinc/94/38/91/900943891.db2.gz PUXLKRYGLQRPMN-UHFFFAOYSA-N 0 0 413.249 4.075 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Br)cc2C(C)=O)cc([N+](=O)[O-])c1C ZINC000485698632 900948656 /nfs/dbraw/zinc/94/86/56/900948656.db2.gz SYYCJFYWUONMQM-UHFFFAOYSA-N 0 0 407.220 4.129 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1)C(C)C ZINC000485712649 900961331 /nfs/dbraw/zinc/96/13/31/900961331.db2.gz ZESCGLZYJUMYKL-UHFFFAOYSA-N 0 0 421.400 4.205 20 5 HIBDRN COc1ccc(-c2ccc(CNCc3cc(COC(C)(C)C)on3)o2)c([N+](=O)[O-])c1 ZINC000485712776 900961375 /nfs/dbraw/zinc/96/13/75/900961375.db2.gz NKTLFDNWIWXZDK-UHFFFAOYSA-N 0 0 415.446 4.456 20 5 HIBDRN CC(C)c1nnc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])s1 ZINC000485721182 900970495 /nfs/dbraw/zinc/97/04/95/900970495.db2.gz UGQFBWMBTBOVHK-UHFFFAOYSA-N 0 0 412.471 4.079 20 5 HIBDRN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)CSc3ccccc3[N+](=O)[O-])c2)n1 ZINC000485734454 900986896 /nfs/dbraw/zinc/98/68/96/900986896.db2.gz MSDMWJDNTWVAJS-UHFFFAOYSA-N 0 0 410.455 4.051 20 5 HIBDRN CN(C)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nc2ccccc21 ZINC000485743071 900998063 /nfs/dbraw/zinc/99/80/63/900998063.db2.gz LBRADNXAVICNCR-UHFFFAOYSA-N 0 0 402.357 4.063 20 5 HIBDRN C[C@@H](CCc1cccn1C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485746687 901001136 /nfs/dbraw/zinc/00/11/36/901001136.db2.gz UULYFTDEANRCIX-KRWDZBQOSA-N 0 0 407.470 4.263 20 5 HIBDRN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485762225 901019553 /nfs/dbraw/zinc/01/95/53/901019553.db2.gz HJTFJVFSOKSYQI-RBBKRZOGSA-N 0 0 412.486 4.497 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000485763122 901020718 /nfs/dbraw/zinc/02/07/18/901020718.db2.gz LWIYLTGRNYBMFV-UHFFFAOYSA-N 0 0 413.499 4.441 20 5 HIBDRN C[C@@H]1CCCN(Cc2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000485883887 901119180 /nfs/dbraw/zinc/11/91/80/901119180.db2.gz QDEMSVYPORPTMV-CQSZACIVSA-N 0 0 402.520 4.200 20 5 HIBDRN COc1ccccc1C[C@@H](C)N(C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485893681 901125843 /nfs/dbraw/zinc/12/58/43/901125843.db2.gz JRFYLYLMWIBAQD-SNVBAGLBSA-N 0 0 413.293 4.131 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cncc(-c3cccc(C)c3)c2)c(C)c([N+](=O)[O-])c1 ZINC000485950364 901171186 /nfs/dbraw/zinc/17/11/86/901171186.db2.gz FCKIVTYVJOGGOL-UHFFFAOYSA-N 0 0 405.410 4.313 20 5 HIBDRN COC(=O)c1cc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c(C)c([N+](=O)[O-])c1 ZINC000485953468 901172977 /nfs/dbraw/zinc/17/29/77/901172977.db2.gz GAOQYUWIAPRJBL-UHFFFAOYSA-N 0 0 423.425 4.225 20 5 HIBDRN COC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000485961012 901178891 /nfs/dbraw/zinc/17/88/91/901178891.db2.gz WFHCKIAFPRXQPX-UHFFFAOYSA-N 0 0 413.213 4.014 20 5 HIBDRN COC(=O)c1cc(NC(=O)COc2cc(C)ccc2C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000485969538 901187786 /nfs/dbraw/zinc/18/77/86/901187786.db2.gz ZJHPIDOPDFRISU-UHFFFAOYSA-N 0 0 400.431 4.139 20 5 HIBDRN COc1cc(CCNC(=O)C[C@@H]2C[C@@H](C)c3c2cccc3C)c([N+](=O)[O-])cc1OC ZINC000486042787 901243061 /nfs/dbraw/zinc/24/30/61/901243061.db2.gz VCRQQMXYQFEJJG-WBVHZDCISA-N 0 0 412.486 4.260 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000486073349 901265153 /nfs/dbraw/zinc/26/51/53/901265153.db2.gz ZMYLWYGEJTXHMR-UHFFFAOYSA-N 0 0 406.320 4.059 20 5 HIBDRN CCN(Cc1c(F)cccc1F)C(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000486094210 901281660 /nfs/dbraw/zinc/28/16/60/901281660.db2.gz JVRDSZYOYUSMIY-UHFFFAOYSA-N 0 0 410.442 4.274 20 5 HIBDRN O=C(Nc1cccc(-n2ccnn2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486094440 901282941 /nfs/dbraw/zinc/28/29/41/901282941.db2.gz UFLCKLJZQOJHAB-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1ccccc1OC(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486117711 901303097 /nfs/dbraw/zinc/30/30/97/901303097.db2.gz IAKZCFJAEWPTSI-MSOLQXFVSA-N 0 0 402.397 4.491 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486117712 901303299 /nfs/dbraw/zinc/30/32/99/901303299.db2.gz IAKZCFJAEWPTSI-QZTJIDSGSA-N 0 0 402.397 4.491 20 5 HIBDRN O=C(N[C@H]1CCCOc2c(F)cccc21)c1sc(Br)cc1[N+](=O)[O-] ZINC000486119295 901306371 /nfs/dbraw/zinc/30/63/71/901306371.db2.gz UWIINGODGLCZQQ-JTQLQIEISA-N 0 0 415.240 4.202 20 5 HIBDRN CSc1cccc(C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)c1[N+](=O)[O-] ZINC000486211739 901394684 /nfs/dbraw/zinc/39/46/84/901394684.db2.gz FZYMWTOYJDGOCG-UHFFFAOYSA-N 0 0 423.450 4.402 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)c1[N+](=O)[O-] ZINC000486211145 901394955 /nfs/dbraw/zinc/39/49/55/901394955.db2.gz RXDGQXQVMULUQE-HNNXBMFYSA-N 0 0 403.479 4.163 20 5 HIBDRN CCN(Cc1c(F)cccc1F)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000505889167 914532366 /nfs/dbraw/zinc/53/23/66/914532366.db2.gz XTWDVEGYEDPGGG-UHFFFAOYSA-N 0 0 416.327 4.145 20 5 HIBDRN CSc1cccc(C(=O)N(C)CCc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000486226013 901408584 /nfs/dbraw/zinc/40/85/84/901408584.db2.gz MVLOQSNWZIPBGU-UHFFFAOYSA-N 0 0 409.305 4.394 20 5 HIBDRN COCc1c(Br)cccc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486232518 901414554 /nfs/dbraw/zinc/41/45/54/901414554.db2.gz MPFKRZGMXKRQRY-UHFFFAOYSA-N 0 0 411.277 4.478 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccnc1OC1CCCC1 ZINC000486274533 901458337 /nfs/dbraw/zinc/45/83/37/901458337.db2.gz HCLXXWMNPLYREN-UHFFFAOYSA-N 0 0 418.881 4.007 20 5 HIBDRN Cc1cn2c(n1)[C@@H](CNC(=O)c1ccc(NCc3ccccc3)c([N+](=O)[O-])c1)CCC2 ZINC000505900244 914542553 /nfs/dbraw/zinc/54/25/53/914542553.db2.gz XOPOGENTLWLEKD-LJQANCHMSA-N 0 0 419.485 4.019 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n(-c2ccccn2)n1 ZINC000486393083 901555874 /nfs/dbraw/zinc/55/58/74/901555874.db2.gz IQLDXTFZBFDQRB-UHFFFAOYSA-N 0 0 414.425 4.480 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCOc1ccc(C(F)(F)F)cn1 ZINC000486397492 901558964 /nfs/dbraw/zinc/55/89/64/901558964.db2.gz GVLFDKNLAXWJMH-UHFFFAOYSA-N 0 0 417.771 4.169 20 5 HIBDRN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000486396573 901559257 /nfs/dbraw/zinc/55/92/57/901559257.db2.gz ALVWPGPQWZUIKW-IBGZPJMESA-N 0 0 404.438 4.113 20 5 HIBDRN CSc1cccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)c1[N+](=O)[O-] ZINC000486399743 901562349 /nfs/dbraw/zinc/56/23/49/901562349.db2.gz BZQQQBGGBFCAFK-UHFFFAOYSA-N 0 0 420.437 4.330 20 5 HIBDRN CC(=O)Nc1ccncc1NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000486417271 901576720 /nfs/dbraw/zinc/57/67/20/901576720.db2.gz HGSDZDFFPUGPQR-UHFFFAOYSA-N 0 0 422.466 4.082 20 5 HIBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000486430302 901590113 /nfs/dbraw/zinc/59/01/13/901590113.db2.gz DZUGGJBCOMYNPV-SJCJKPOMSA-N 0 0 407.264 4.172 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4nccnc4c3)cc2[N+](=O)[O-])C1 ZINC000486448599 901608731 /nfs/dbraw/zinc/60/87/31/901608731.db2.gz VLNILUNRXSRFJM-HUUCEWRRSA-N 0 0 405.458 4.273 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1ccc(F)cc1Br ZINC000486490403 901644566 /nfs/dbraw/zinc/64/45/66/901644566.db2.gz HCDFFFGBNFNTPI-YRNVUSSQSA-N 0 0 416.206 4.151 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H](C)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000486611866 901747316 /nfs/dbraw/zinc/74/73/16/901747316.db2.gz NAOSZWJNZXXSMR-GFCCVEGCSA-N 0 0 417.512 4.324 20 5 HIBDRN C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000486614749 901750098 /nfs/dbraw/zinc/75/00/98/901750098.db2.gz IQRBPCZLMZOHBP-QMMMGPOBSA-N 0 0 423.800 4.370 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000486665367 901784161 /nfs/dbraw/zinc/78/41/61/901784161.db2.gz OWPFIPSBPWJBBK-UHFFFAOYSA-N 0 0 422.547 4.287 20 5 HIBDRN CO[C@@H](C)c1nc(C)c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000486717439 901810455 /nfs/dbraw/zinc/81/04/55/901810455.db2.gz OQDZXTZLBGHNBJ-VIFPVBQESA-N 0 0 403.382 4.016 20 5 HIBDRN Cc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1-c1ccc(F)cc1 ZINC000486718411 901811672 /nfs/dbraw/zinc/81/16/72/901811672.db2.gz DERGZWQNINEXPF-UHFFFAOYSA-N 0 0 422.338 4.177 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000486757112 901832674 /nfs/dbraw/zinc/83/26/74/901832674.db2.gz HGAZUKYGYDKMAD-LLVKDONJSA-N 0 0 411.439 4.246 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000486775066 901846265 /nfs/dbraw/zinc/84/62/65/901846265.db2.gz DGBXNFXRANZOFR-HNNXBMFYSA-N 0 0 404.426 4.042 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)cccc1[N+](=O)[O-] ZINC000486787644 901853300 /nfs/dbraw/zinc/85/33/00/901853300.db2.gz LYWPKAYPYAEILG-CQSZACIVSA-N 0 0 419.279 4.066 20 5 HIBDRN CCn1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cn1 ZINC000486798775 901860860 /nfs/dbraw/zinc/86/08/60/901860860.db2.gz SYOMDGRCMPZEIL-UHFFFAOYSA-N 0 0 413.865 4.007 20 5 HIBDRN Cc1cccc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1[N+](=O)[O-] ZINC000486830665 901883044 /nfs/dbraw/zinc/88/30/44/901883044.db2.gz YZHAVFMNYQOMPY-HNNXBMFYSA-N 0 0 404.426 4.042 20 5 HIBDRN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000486855052 901900685 /nfs/dbraw/zinc/90/06/85/901900685.db2.gz DCDYSIIKHUIVTM-INIZCTEOSA-N 0 0 414.483 4.161 20 5 HIBDRN COC(=O)c1cc(NC(=O)NCc2oc3ccc(F)cc3c2C)c(C)c([N+](=O)[O-])c1 ZINC000486856791 901902312 /nfs/dbraw/zinc/90/23/12/901902312.db2.gz IIYNRCAWLACBFR-UHFFFAOYSA-N 0 0 415.377 4.205 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c(C)c([N+](=O)[O-])c1 ZINC000486863926 901909346 /nfs/dbraw/zinc/90/93/46/901909346.db2.gz AYLBAEOJMGROKD-AWEZNQCLSA-N 0 0 415.446 4.360 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCCC[C@H]2Cc2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000486874178 901920128 /nfs/dbraw/zinc/92/01/28/901920128.db2.gz MMKGBHZOHPBURO-SFHVURJKSA-N 0 0 411.458 4.319 20 5 HIBDRN CCN(Cc1c(F)cccc1F)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486876092 901920654 /nfs/dbraw/zinc/92/06/54/901920654.db2.gz BGWJPYQVQNEUSP-UHFFFAOYSA-N 0 0 407.373 4.022 20 5 HIBDRN Cc1cc(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc([N+](=O)[O-])c1 ZINC000486900947 901945419 /nfs/dbraw/zinc/94/54/19/901945419.db2.gz KRBGNTNROVUXBE-UHFFFAOYSA-N 0 0 424.375 4.238 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000486913810 901960495 /nfs/dbraw/zinc/96/04/95/901960495.db2.gz WWKXNRFLECWMIR-MOPGFXCFSA-N 0 0 404.417 4.219 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000486923034 901965508 /nfs/dbraw/zinc/96/55/08/901965508.db2.gz GZCUUKZGYFEGLX-LLVKDONJSA-N 0 0 419.359 4.102 20 5 HIBDRN CNC(=O)c1cccc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000486960202 901990433 /nfs/dbraw/zinc/99/04/33/901990433.db2.gz ACNBQCFIAMTFFB-UHFFFAOYSA-N 0 0 421.478 4.036 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(NCc3ccnc(OCc4ccccc4)c3)n2)cc1 ZINC000486967531 901993675 /nfs/dbraw/zinc/99/36/75/901993675.db2.gz HTDXNGDLNZSYLK-UHFFFAOYSA-N 0 0 403.398 4.231 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCOc2c(Cl)cccc21 ZINC000487025546 902024398 /nfs/dbraw/zinc/02/43/98/902024398.db2.gz ILRUMXHXNQHSHF-HNNXBMFYSA-N 0 0 410.257 4.267 20 5 HIBDRN C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000487042195 902036106 /nfs/dbraw/zinc/03/61/06/902036106.db2.gz OMALBLLVRVQMRY-MJGOQNOKSA-N 0 0 406.527 4.111 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000487043488 902036620 /nfs/dbraw/zinc/03/66/20/902036620.db2.gz JLLKWKZEGZYIOC-HNNXBMFYSA-N 0 0 419.478 4.315 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487076318 902049703 /nfs/dbraw/zinc/04/97/03/902049703.db2.gz JHIIFXLIVDTUOP-UHFFFAOYSA-N 0 0 422.279 4.001 20 5 HIBDRN O=C(c1ccccc1CCc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487082054 902050562 /nfs/dbraw/zinc/05/05/62/902050562.db2.gz FNHYXZWQRXHVBL-UHFFFAOYSA-N 0 0 404.470 4.054 20 5 HIBDRN C[C@@H](Oc1ccccc1Br)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000487092730 902053216 /nfs/dbraw/zinc/05/32/16/902053216.db2.gz VXVULHPTMCCWMZ-NWDGAFQWSA-N 0 0 405.248 4.102 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000487094004 902055098 /nfs/dbraw/zinc/05/50/98/902055098.db2.gz CURBTGBDKRKJBG-NRFANRHFSA-N 0 0 410.495 4.041 20 5 HIBDRN Cc1ccc(CNc2ccc([N+](=O)[O-])cc2Br)c(N2CCOCC2)c1 ZINC000487110553 902061328 /nfs/dbraw/zinc/06/13/28/902061328.db2.gz RAHBSTGLOTUNBV-UHFFFAOYSA-N 0 0 406.280 4.114 20 5 HIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1S[C@H]1CCN(c2ccccc2F)C1=O ZINC000487220683 902106357 /nfs/dbraw/zinc/10/63/57/902106357.db2.gz QCLAHHQRWDLOMB-FQEVSTJZSA-N 0 0 419.481 4.123 20 5 HIBDRN CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000487319845 902151744 /nfs/dbraw/zinc/15/17/44/902151744.db2.gz HTEKRAXZAGAWFY-CYBMUJFWSA-N 0 0 422.304 4.249 20 5 HIBDRN CN(CCc1ccc(Cl)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000487326311 902155055 /nfs/dbraw/zinc/15/50/55/902155055.db2.gz PDQRWOPVDMRNLG-UHFFFAOYSA-N 0 0 411.683 4.254 20 5 HIBDRN Cc1ccc(-n2cnc3c2CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C3)cc1 ZINC000487424907 902203298 /nfs/dbraw/zinc/20/32/98/902203298.db2.gz BDUKLOYMHOIONW-KRWDZBQOSA-N 0 0 419.485 4.226 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H](C)Cc2ccccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000487438346 902210616 /nfs/dbraw/zinc/21/06/16/902210616.db2.gz KEEVFOXOHHIZPX-ZDUSSCGKSA-N 0 0 408.401 4.216 20 5 HIBDRN Cc1ccc(N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C2CCCCC2)nc1 ZINC000487468671 902220784 /nfs/dbraw/zinc/22/07/84/902220784.db2.gz FKLIPQFURQWCFS-UHFFFAOYSA-N 0 0 405.458 4.463 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000487510294 902227778 /nfs/dbraw/zinc/22/77/78/902227778.db2.gz PAWDRPFHWPOFLO-UHFFFAOYSA-N 0 0 414.487 4.339 20 5 HIBDRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000487573624 902245459 /nfs/dbraw/zinc/24/54/59/902245459.db2.gz KKBQAOBMQULAIE-UHFFFAOYSA-N 0 0 406.460 4.391 20 5 HIBDRN COc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1[N+](=O)[O-] ZINC000487620179 902254425 /nfs/dbraw/zinc/25/44/25/902254425.db2.gz DKFGDFXYAZNEHE-UHFFFAOYSA-N 0 0 405.382 4.181 20 5 HIBDRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000487628137 902259641 /nfs/dbraw/zinc/25/96/41/902259641.db2.gz BGUUGYJDDSFQSK-QFIPXVFZSA-N 0 0 404.470 4.386 20 5 HIBDRN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000487630691 902260343 /nfs/dbraw/zinc/26/03/43/902260343.db2.gz GNTJEBOEJFBWIP-MEBBXXQBSA-N 0 0 412.671 4.372 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccnc(Oc2ccccc2F)c1 ZINC000487658716 902278885 /nfs/dbraw/zinc/27/88/85/902278885.db2.gz ZKSOGGQHARCQSI-UHFFFAOYSA-N 0 0 411.389 4.007 20 5 HIBDRN CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000487675578 902285523 /nfs/dbraw/zinc/28/55/23/902285523.db2.gz QPEPZDJPOSXEGE-UHFFFAOYSA-N 0 0 410.352 4.316 20 5 HIBDRN O=C(NCc1cc(F)ccc1Br)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487685579 902290835 /nfs/dbraw/zinc/29/08/35/902290835.db2.gz DECXGYYEVJLRJP-UHFFFAOYSA-N 0 0 419.153 4.028 20 5 HIBDRN COc1cc(OCC(=O)Nc2ccc(Oc3ccncc3)c(C)c2)ccc1[N+](=O)[O-] ZINC000487709600 902306407 /nfs/dbraw/zinc/30/64/07/902306407.db2.gz OXMLQPTZPIEEKN-UHFFFAOYSA-N 0 0 409.398 4.117 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000487722306 902316799 /nfs/dbraw/zinc/31/67/99/902316799.db2.gz QUHNXSXJUFAEFW-ZFWWWQNUSA-N 0 0 417.535 4.474 20 5 HIBDRN CCc1cccc2c(C3CCN(C(=O)c4cc5c(c([N+](=O)[O-])c4)OCO5)CC3)c[nH]c21 ZINC000487722741 902316850 /nfs/dbraw/zinc/31/68/50/902316850.db2.gz AQGZQBJBQQIWSE-UHFFFAOYSA-N 0 0 421.453 4.387 20 5 HIBDRN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487784699 902363880 /nfs/dbraw/zinc/36/38/80/902363880.db2.gz SRVSNLIAHWILBV-UHFFFAOYSA-N 0 0 419.384 4.075 20 5 HIBDRN COCc1cccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 ZINC000487811589 902380622 /nfs/dbraw/zinc/38/06/22/902380622.db2.gz LUWJXKLQGUOQHK-UHFFFAOYSA-N 0 0 404.422 4.153 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2SCCc3ccccc32)cc1SC ZINC000487828070 902392250 /nfs/dbraw/zinc/39/22/50/902392250.db2.gz AXMDYZMENJYCDN-SFHVURJKSA-N 0 0 404.513 4.086 20 5 HIBDRN Cc1ccc(-c2noc(CCCn3cc([N+](=O)[O-])c(=O)c4ccccc43)n2)cc1F ZINC000487867383 902414451 /nfs/dbraw/zinc/41/44/51/902414451.db2.gz CQVXLLWOBWTSRC-UHFFFAOYSA-N 0 0 408.389 4.040 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)Nc1ccc(Oc2ccccc2)cc1 ZINC000487897562 902437629 /nfs/dbraw/zinc/43/76/29/902437629.db2.gz MYXZOKIGDZMOCN-UHFFFAOYSA-N 0 0 415.405 4.341 20 5 HIBDRN Cn1cc(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000487966586 902492806 /nfs/dbraw/zinc/49/28/06/902492806.db2.gz YURKAXRUGDPFQZ-UHFFFAOYSA-N 0 0 406.442 4.476 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000488011906 902532712 /nfs/dbraw/zinc/53/27/12/902532712.db2.gz ZONQAZZBLOTNIT-QWRGUYRKSA-N 0 0 413.400 4.092 20 5 HIBDRN CC(C)(NC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000488035551 902553968 /nfs/dbraw/zinc/55/39/68/902553968.db2.gz XAPYTPLIYZYGHF-MOPGFXCFSA-N 0 0 401.438 4.189 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000488038203 902555940 /nfs/dbraw/zinc/55/59/40/902555940.db2.gz YWULATNYZHNCOX-GFCCVEGCSA-N 0 0 416.384 4.386 20 5 HIBDRN COc1ccc(CCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Br ZINC000488045001 902560447 /nfs/dbraw/zinc/56/04/47/902560447.db2.gz SYDFZFPOVLUPKG-CYBMUJFWSA-N 0 0 421.291 4.484 20 5 HIBDRN Cc1ccc(CNC(=O)C2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)cc1F ZINC000488077569 902585432 /nfs/dbraw/zinc/58/54/32/902585432.db2.gz GZSVGGLDRYOZHI-UHFFFAOYSA-N 0 0 422.460 4.123 20 5 HIBDRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000488085165 902590897 /nfs/dbraw/zinc/59/08/97/902590897.db2.gz CWKGYYQPPVXFPT-MJGOQNOKSA-N 0 0 424.501 4.333 20 5 HIBDRN O=[N+]([O-])c1cnc2ccccc2c1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000488086990 902592988 /nfs/dbraw/zinc/59/29/88/902592988.db2.gz JYQFBRWFVAKNOJ-GOSISDBHSA-N 0 0 414.259 4.483 20 5 HIBDRN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488093278 902598774 /nfs/dbraw/zinc/59/87/74/902598774.db2.gz SSMMZNOCEHJEPU-CYBMUJFWSA-N 0 0 411.849 4.047 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000488096479 902600191 /nfs/dbraw/zinc/60/01/91/902600191.db2.gz SVAHWPRXBCEZFX-MRXNPFEDSA-N 0 0 405.454 4.054 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] ZINC000488095678 902600324 /nfs/dbraw/zinc/60/03/24/902600324.db2.gz RRHOIKCARXIZKS-OAHLLOKOSA-N 0 0 423.494 4.386 20 5 HIBDRN CCCNc1ccc(Cl)cc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000488116887 902617316 /nfs/dbraw/zinc/61/73/16/902617316.db2.gz JGSXKCJWQCDBOX-UHFFFAOYSA-N 0 0 405.838 4.023 20 5 HIBDRN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488150077 902643308 /nfs/dbraw/zinc/64/33/08/902643308.db2.gz ZMXSVZTZELBMLV-MJGOQNOKSA-N 0 0 411.527 4.445 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 ZINC000488155791 902650439 /nfs/dbraw/zinc/65/04/39/902650439.db2.gz IKIKYYGBMSALAI-UHFFFAOYSA-N 0 0 401.488 4.345 20 5 HIBDRN CCOc1cc2c(cc1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000488174357 902664080 /nfs/dbraw/zinc/66/40/80/902664080.db2.gz GZSAHAKRXLBFNN-AWEZNQCLSA-N 0 0 413.474 4.051 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(NCc3c(Cl)cccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000488205008 902687967 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412.475 4.147 20 5 HIBDRN O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488393237 902803821 /nfs/dbraw/zinc/80/38/21/902803821.db2.gz GVODUQWEEOPFDH-UHFFFAOYSA-N 0 0 407.430 4.453 20 5 HIBDRN CCC(CC)[C@H]1C[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000488406521 902812839 /nfs/dbraw/zinc/81/28/39/902812839.db2.gz XYXWOSYMXJZZBQ-DYESRHJHSA-N 0 0 419.522 4.131 20 5 HIBDRN CC(C)(NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000488406626 902812992 /nfs/dbraw/zinc/81/29/92/902812992.db2.gz DFDUOYSRXJVJIU-UHFFFAOYSA-N 0 0 418.881 4.201 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cnn(Cc2ccccc2)c1 ZINC000488521634 902868299 /nfs/dbraw/zinc/86/82/99/902868299.db2.gz UPXXRBLZKGXNDM-UHFFFAOYSA-N 0 0 419.363 4.180 20 5 HIBDRN Cn1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(-c2ccccc2)n1 ZINC000488549466 902878920 /nfs/dbraw/zinc/87/89/20/902878920.db2.gz WZTWQGLKBYGCLG-UHFFFAOYSA-N 0 0 419.363 4.336 20 5 HIBDRN 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O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(Cl)ccc1Br ZINC000490376742 903969769 /nfs/dbraw/zinc/96/97/69/903969769.db2.gz XVXZKOUNWVAWGC-UHFFFAOYSA-N 0 0 422.626 4.048 20 5 HIBDRN O=C(Nc1nnc(/C=C/c2ccco2)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000490377375 903970043 /nfs/dbraw/zinc/97/00/43/903970043.db2.gz ZCZLYLOBCFUNJB-GQCTYLIASA-N 0 0 410.333 4.481 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Cc2ccccc2CO)CC1 ZINC000490390080 903978620 /nfs/dbraw/zinc/97/86/20/903978620.db2.gz OXUZFSXQPPQPQO-INIZCTEOSA-N 0 0 414.527 4.049 20 5 HIBDRN Cc1ccc(C)c(OCCCCC(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000490394140 903979612 /nfs/dbraw/zinc/97/96/12/903979612.db2.gz APCYGSDSMDOAAX-UHFFFAOYSA-N 0 0 409.446 4.185 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccc(-c3ccccc3)cc2F)cc1 ZINC000490439159 904011911 /nfs/dbraw/zinc/01/19/11/904011911.db2.gz BNFVDQVEUBDWHI-UHFFFAOYSA-N 0 0 400.431 4.021 20 5 HIBDRN COc1cc(CN2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490540634 904085885 /nfs/dbraw/zinc/08/58/85/904085885.db2.gz HYCQRIMNFUXMDS-KRWDZBQOSA-N 0 0 421.444 4.324 20 5 HIBDRN COc1cc(CN2CCC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490540641 904086768 /nfs/dbraw/zinc/08/67/68/904086768.db2.gz HYCQRIMNFUXMDS-QGZVFWFLSA-N 0 0 421.444 4.324 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1C(N)=O ZINC000490554574 904096785 /nfs/dbraw/zinc/09/67/85/904096785.db2.gz HURKDRUZCMBGME-UHFFFAOYSA-N 0 0 407.451 4.406 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000490614503 904137484 /nfs/dbraw/zinc/13/74/84/904137484.db2.gz NBBYMCONIKLWIX-ZDUSSCGKSA-N 0 0 405.401 4.287 20 5 HIBDRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000490684027 904171258 /nfs/dbraw/zinc/17/12/58/904171258.db2.gz LNTQQEUEVBQYJX-INIZCTEOSA-N 0 0 421.295 4.455 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N(CC(F)F)c1ccc(F)cc1 ZINC000490686938 904174252 /nfs/dbraw/zinc/17/42/52/904174252.db2.gz HWAPTDPGRLKYTP-UHFFFAOYSA-N 0 0 403.154 4.408 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000490826800 904270042 /nfs/dbraw/zinc/27/00/42/904270042.db2.gz MEQYJIYMFRPFQC-NSHDSACASA-N 0 0 410.257 4.275 20 5 HIBDRN C[C@H](Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000490827216 904270955 /nfs/dbraw/zinc/27/09/55/904270955.db2.gz SIDVQIHGCQVZJJ-UONOGXRCSA-N 0 0 419.865 4.103 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC000491089885 904421011 /nfs/dbraw/zinc/42/10/11/904421011.db2.gz ITSILHPYXWNCLO-INIZCTEOSA-N 0 0 400.454 4.076 20 5 HIBDRN CCOc1cc(NC(=O)N2CCC(OC3CCCC3)CC2)c([N+](=O)[O-])cc1OCC ZINC000506122118 914811822 /nfs/dbraw/zinc/81/18/22/914811822.db2.gz JJIDODSIXBYJQB-UHFFFAOYSA-N 0 0 421.494 4.348 20 5 HIBDRN CO[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000506128162 914815447 /nfs/dbraw/zinc/81/54/47/914815447.db2.gz AKPFWXGKJZYVFL-ZHRRBRCNSA-N 0 0 420.469 4.280 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])cc1OC ZINC000491244149 904499317 /nfs/dbraw/zinc/49/93/17/904499317.db2.gz SVGDNGLCRSGILQ-CQSZACIVSA-N 0 0 407.426 4.165 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])cc1OC ZINC000491244148 904499669 /nfs/dbraw/zinc/49/96/69/904499669.db2.gz SVGDNGLCRSGILQ-AWEZNQCLSA-N 0 0 407.426 4.165 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NCc3ccccc3OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000491445043 904600441 /nfs/dbraw/zinc/60/04/41/904600441.db2.gz OTRLSLSUUYLREY-UHFFFAOYSA-N 0 0 419.428 4.363 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NCCCOc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000506160826 914829175 /nfs/dbraw/zinc/82/91/75/914829175.db2.gz SDLDRBQIPOVKOV-QGZVFWFLSA-N 0 0 420.469 4.362 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1NC(=O)C(C)(C)C ZINC000491605212 904672855 /nfs/dbraw/zinc/67/28/55/904672855.db2.gz TTXSVWMQFGIVGT-UHFFFAOYSA-N 0 0 419.503 4.305 20 5 HIBDRN COc1cc(CNc2cccc(-n3cccn3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491918785 904729431 /nfs/dbraw/zinc/72/94/31/904729431.db2.gz CEKWZQDGUQQPST-UHFFFAOYSA-N 0 0 404.373 4.045 20 5 HIBDRN COc1cc(OCC(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)ccc1[N+](=O)[O-] ZINC000492079981 904793649 /nfs/dbraw/zinc/79/36/49/904793649.db2.gz MAHCGICTQGEDTA-CQSZACIVSA-N 0 0 410.348 4.065 20 5 HIBDRN O=C(CCc1ccc(Cl)s1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000492354922 904838968 /nfs/dbraw/zinc/83/89/68/904838968.db2.gz RZODCRIDJARSMK-UHFFFAOYSA-N 0 0 421.828 4.489 20 5 HIBDRN CNC(=O)c1cc(Oc2cccc(NC/C=C/c3ccccc3[N+](=O)[O-])c2)ccn1 ZINC000492437523 904849193 /nfs/dbraw/zinc/84/91/93/904849193.db2.gz HSJSXOMGXFYNBH-FNORWQNLSA-N 0 0 404.426 4.267 20 5 HIBDRN CCOc1cc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)ccc1[N+](=O)[O-] ZINC000492461277 904852820 /nfs/dbraw/zinc/85/28/20/904852820.db2.gz KDRWBUXCUUKZEB-UHFFFAOYSA-N 0 0 404.413 4.367 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000506216743 914848675 /nfs/dbraw/zinc/84/86/75/914848675.db2.gz RWCNFEQDNJHLJM-QGZVFWFLSA-N 0 0 400.504 4.436 20 5 HIBDRN CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000492654989 904883409 /nfs/dbraw/zinc/88/34/09/904883409.db2.gz HDBQJWNEEOUSOL-GOSISDBHSA-N 0 0 419.466 4.303 20 5 HIBDRN CCOc1cc(CNc2cccc(C(=O)N3CCSCC3)c2C)ccc1[N+](=O)[O-] ZINC000492719090 904893559 /nfs/dbraw/zinc/89/35/59/904893559.db2.gz CZCYQLMYVTXZDQ-UHFFFAOYSA-N 0 0 415.515 4.103 20 5 HIBDRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492887461 904939643 /nfs/dbraw/zinc/93/96/43/904939643.db2.gz HWESKLPAEZHBIY-UHFFFAOYSA-N 0 0 419.268 4.283 20 5 HIBDRN Cc1nc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1-c1ccccc1C(C)C ZINC000492892381 904940607 /nfs/dbraw/zinc/94/06/07/904940607.db2.gz OJWZNLQYVVVFAE-UHFFFAOYSA-N 0 0 419.485 4.412 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000492934544 904953650 /nfs/dbraw/zinc/95/36/50/904953650.db2.gz ACEDTXSEOUEZDQ-IFXJQAMLSA-N 0 0 403.866 4.401 20 5 HIBDRN CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000492949027 904963058 /nfs/dbraw/zinc/96/30/58/904963058.db2.gz FIXOEXBJESYJEK-HXUWFJFHSA-N 0 0 413.437 4.242 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000492975059 904974622 /nfs/dbraw/zinc/97/46/22/904974622.db2.gz CWJKQJYQTLXKFU-INIZCTEOSA-N 0 0 415.471 4.269 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000493003771 904983001 /nfs/dbraw/zinc/98/30/01/904983001.db2.gz NESNSXXTAWADAF-DOTOQJQBSA-N 0 0 403.504 4.417 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 ZINC000493070360 905008579 /nfs/dbraw/zinc/00/85/79/905008579.db2.gz DBKOAJYNLMABRL-CYBMUJFWSA-N 0 0 416.503 4.325 20 5 HIBDRN O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493108515 905021556 /nfs/dbraw/zinc/02/15/56/905021556.db2.gz WOPIXRRPSNQUIO-UHFFFAOYSA-N 0 0 423.450 4.252 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000493133532 905027989 /nfs/dbraw/zinc/02/79/89/905027989.db2.gz PPQBDXFIMIWXAA-OXQOHEQNSA-N 0 0 415.465 4.494 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000493132787 905028322 /nfs/dbraw/zinc/02/83/22/905028322.db2.gz NIOLZGSJODCOPK-ZKDVCIDWSA-N 0 0 403.504 4.104 20 5 HIBDRN COc1ccc(-c2cnc(CCC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)o2)cc1 ZINC000493134941 905030371 /nfs/dbraw/zinc/03/03/71/905030371.db2.gz UGZZWEBJZCHENW-UHFFFAOYSA-N 0 0 421.453 4.382 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1[N+](=O)[O-] ZINC000493160545 905037590 /nfs/dbraw/zinc/03/75/90/905037590.db2.gz UBVQHGMAXRJNAG-YJBOKZPZSA-N 0 0 411.458 4.282 20 5 HIBDRN CC(C)c1nc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1-c1cccc(F)c1 ZINC000493183182 905044337 /nfs/dbraw/zinc/04/43/37/905044337.db2.gz SCRMQOINJCPZJW-UHFFFAOYSA-N 0 0 423.448 4.243 20 5 HIBDRN Cc1c(Cl)cccc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000493182249 905044570 /nfs/dbraw/zinc/04/45/70/905044570.db2.gz PNVORMJBVSPDDJ-KRWDZBQOSA-N 0 0 404.850 4.369 20 5 HIBDRN C[C@H](c1ccccc1Br)N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000506255297 914866371 /nfs/dbraw/zinc/86/63/71/914866371.db2.gz SKOFZTCBZQUULD-CYBMUJFWSA-N 0 0 406.280 4.302 20 5 HIBDRN C[C@@H](c1ccccc1Br)N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000506255298 914866714 /nfs/dbraw/zinc/86/67/14/914866714.db2.gz SKOFZTCBZQUULD-ZDUSSCGKSA-N 0 0 406.280 4.302 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1[N+](=O)[O-] ZINC000493239068 905062252 /nfs/dbraw/zinc/06/22/52/905062252.db2.gz REOWZEJYZNHFMH-HNNXBMFYSA-N 0 0 407.474 4.430 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-] ZINC000493286205 905078101 /nfs/dbraw/zinc/07/81/01/905078101.db2.gz ZYKVNMWLJBOQEQ-HNNXBMFYSA-N 0 0 407.474 4.430 20 5 HIBDRN COc1ccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 ZINC000493436422 905118330 /nfs/dbraw/zinc/11/83/30/905118330.db2.gz CDIZTRJGGQVTQP-IBGZPJMESA-N 0 0 412.833 4.444 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)c1[N+](=O)[O-] ZINC000493469358 905132937 /nfs/dbraw/zinc/13/29/37/905132937.db2.gz ZBEUEMFNNBYXEZ-CYBMUJFWSA-N 0 0 422.310 4.076 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1[N+](=O)[O-] ZINC000493677023 905188546 /nfs/dbraw/zinc/18/85/46/905188546.db2.gz GVWPMCZKAHPVTL-UHFFFAOYSA-N 0 0 406.446 4.133 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1CNc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000512394477 921130158 /nfs/dbraw/zinc/13/01/58/921130158.db2.gz FMGSEOJCQCQEDZ-UHFFFAOYSA-N 0 0 411.483 4.340 20 5 HIBDRN CCCCOc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000493959858 905308942 /nfs/dbraw/zinc/30/89/42/905308942.db2.gz HJHNSOHHVOHVRV-MRXNPFEDSA-N 0 0 413.474 4.206 20 5 HIBDRN CCCn1ccc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc21 ZINC000493976195 905322339 /nfs/dbraw/zinc/32/23/39/905322339.db2.gz IIADWELLGASCOX-HNNXBMFYSA-N 0 0 408.458 4.084 20 5 HIBDRN CC(C)(C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000493990103 905333085 /nfs/dbraw/zinc/33/30/85/905333085.db2.gz BBTIGYVEGWVWOZ-UHFFFAOYSA-N 0 0 420.256 4.399 20 5 HIBDRN CCCn1ccc2cc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc21 ZINC000493993226 905335250 /nfs/dbraw/zinc/33/52/50/905335250.db2.gz SMIFTFDCDJYBBF-OAHLLOKOSA-N 0 0 408.458 4.084 20 5 HIBDRN COc1ccc(Br)cc1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000494013956 905353466 /nfs/dbraw/zinc/35/34/66/905353466.db2.gz BHLRRRMFOVASJL-UHFFFAOYSA-N 0 0 408.252 4.304 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000494014313 905353760 /nfs/dbraw/zinc/35/37/60/905353760.db2.gz CLMNGOVKPMRLML-FPOVZHCZSA-N 0 0 405.458 4.458 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1 ZINC000512405465 921139704 /nfs/dbraw/zinc/13/97/04/921139704.db2.gz LCPOJWVUGBXCQD-UHFFFAOYSA-N 0 0 412.421 4.478 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2N2CCCCCC2)cc1[N+](=O)[O-] ZINC000494020566 905361417 /nfs/dbraw/zinc/36/14/17/905361417.db2.gz YQJLCIMFRHTOKD-QGZVFWFLSA-N 0 0 424.501 4.100 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(F)c2ccccc21 ZINC000494035758 905374642 /nfs/dbraw/zinc/37/46/42/905374642.db2.gz BCMAVENQQARFFA-ZDUSSCGKSA-N 0 0 414.458 4.463 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3c(ccn3CC(C)C)c2)cc1[N+](=O)[O-] ZINC000494038307 905380820 /nfs/dbraw/zinc/38/08/20/905380820.db2.gz NWKPIIOJIXFGKP-MRXNPFEDSA-N 0 0 422.485 4.330 20 5 HIBDRN COc1cccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1O ZINC000494083994 905420884 /nfs/dbraw/zinc/42/08/84/905420884.db2.gz VMNUCUKCAPNNSR-UHFFFAOYSA-N 0 0 423.212 4.054 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000512418874 921146367 /nfs/dbraw/zinc/14/63/67/921146367.db2.gz SWXRBVUZFCRJCO-GOSISDBHSA-N 0 0 412.339 4.333 20 5 HIBDRN O=C(c1cccc(Cl)c1)N1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494118038 905462572 /nfs/dbraw/zinc/46/25/72/905462572.db2.gz YZZGFHICTXHRJQ-UHFFFAOYSA-N 0 0 408.285 4.250 20 5 HIBDRN O=C(Nc1nc(C2CCOCC2)cs1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000494164425 905502059 /nfs/dbraw/zinc/50/20/59/905502059.db2.gz PYGORYVDKLXCMW-UHFFFAOYSA-N 0 0 402.476 4.142 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000512436215 921159914 /nfs/dbraw/zinc/15/99/14/921159914.db2.gz IGXWVOXSHMHGCO-UHFFFAOYSA-N 0 0 421.906 4.461 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)cc1F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000512435763 921160158 /nfs/dbraw/zinc/16/01/58/921160158.db2.gz KZJNTQFQAOLYCQ-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN C[C@@H]1CCCCCN1C(=O)c1ccc(C(=O)N2CCCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000512436654 921160341 /nfs/dbraw/zinc/16/03/41/921160341.db2.gz MMIYCNUDURANFI-SJORKVTESA-N 0 0 401.507 4.404 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc(OCc2ccccc2)cc1 ZINC000494378299 905675873 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O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000497804192 907287092 /nfs/dbraw/zinc/28/70/92/907287092.db2.gz NGQBNBZXZAAONG-MRXNPFEDSA-N 0 0 406.385 4.018 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000497839404 907319389 /nfs/dbraw/zinc/31/93/89/907319389.db2.gz HVJSLRWNCGJYTM-LSDHHAIUSA-N 0 0 401.463 4.350 20 5 HIBDRN CCC[C@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)sc2C1 ZINC000497860194 907337286 /nfs/dbraw/zinc/33/72/86/907337286.db2.gz LZQKWEVOKXDONX-LBPRGKRZSA-N 0 0 421.544 4.293 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2ccc3ccn(Cc4cccc(OC)c4)c3c2)c1[N+](=O)[O-] ZINC000497891509 907364158 /nfs/dbraw/zinc/36/41/58/907364158.db2.gz APQFIVCCMQULFY-UHFFFAOYSA-N 0 0 419.441 4.144 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000497899250 907373417 /nfs/dbraw/zinc/37/34/17/907373417.db2.gz MNNGEEQOQZRPJZ-HZPDHXFCSA-N 0 0 416.302 4.152 20 5 HIBDRN 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CC(C)CCSc1ccc(C(=O)N[C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000512835446 921339397 /nfs/dbraw/zinc/33/93/97/921339397.db2.gz UJMJHGOUQLNGPP-INIZCTEOSA-N 0 0 402.520 4.274 20 5 HIBDRN O=C(c1ccc(OCc2ccncc2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498131505 907649934 /nfs/dbraw/zinc/64/99/34/907649934.db2.gz IHBKRYNMJGOAAP-QFIPXVFZSA-N 0 0 421.478 4.457 20 5 HIBDRN O=C(c1ccc(N2CCCCCC2)nc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498134052 907654722 /nfs/dbraw/zinc/65/47/22/907654722.db2.gz FIXMONNLMKXKEE-NRFANRHFSA-N 0 0 412.515 4.258 20 5 HIBDRN O=C(CCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000498141007 907663806 /nfs/dbraw/zinc/66/38/06/907663806.db2.gz UTFQABVEQCLZOA-LJQANCHMSA-N 0 0 404.875 4.485 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)n1 ZINC000498143987 907665841 /nfs/dbraw/zinc/66/58/41/907665841.db2.gz KGFZIOKJHPRQRR-MRXNPFEDSA-N 0 0 415.453 4.437 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000498146221 907670502 /nfs/dbraw/zinc/67/05/02/907670502.db2.gz XLVYQGRSPHYLFN-HNNXBMFYSA-N 0 0 424.888 4.315 20 5 HIBDRN COc1cccc(-c2nc(C)c(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)[nH]2)c1 ZINC000498154695 907680658 /nfs/dbraw/zinc/68/06/58/907680658.db2.gz YVQKHQBFVWVMGG-OAQYLSRUSA-N 0 0 424.482 4.190 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498264961 907801454 /nfs/dbraw/zinc/80/14/54/907801454.db2.gz KOCFCVHYACYDKR-UHFFFAOYSA-N 0 0 418.384 4.399 20 5 HIBDRN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498295751 907825867 /nfs/dbraw/zinc/82/58/67/907825867.db2.gz ZGAZPNFWYWBLNT-UHFFFAOYSA-N 0 0 420.406 4.248 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccccc1Br ZINC000498315129 907835480 /nfs/dbraw/zinc/83/54/80/907835480.db2.gz HWGVGGDNAHXBPJ-UHFFFAOYSA-N 0 0 421.294 4.234 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000498330506 907843243 /nfs/dbraw/zinc/84/32/43/907843243.db2.gz RHOGODKBAXNXKD-UHFFFAOYSA-N 0 0 423.238 4.066 20 5 HIBDRN Cc1ccc(-c2nc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)cs2)c(C)c1 ZINC000498382393 907870888 /nfs/dbraw/zinc/87/08/88/907870888.db2.gz LNEXFBBKNVYKPJ-UHFFFAOYSA-N 0 0 422.510 4.298 20 5 HIBDRN Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000512859584 921361393 /nfs/dbraw/zinc/36/13/93/921361393.db2.gz FZUSTMTXOMBIIT-SFHVURJKSA-N 0 0 414.531 4.418 20 5 HIBDRN O=C(NCCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498419183 907892619 /nfs/dbraw/zinc/89/26/19/907892619.db2.gz IGEKHLHJHNHRQH-UHFFFAOYSA-N 0 0 404.451 4.239 20 5 HIBDRN COc1ccc(CN[C@@H](c2nccn2C)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512858821 921362091 /nfs/dbraw/zinc/36/20/91/921362091.db2.gz ZJUGXAWSQJUIIX-JOCHJYFZSA-N 0 0 422.485 4.157 20 5 HIBDRN COCCNC(=O)c1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000512862806 921363372 /nfs/dbraw/zinc/36/33/72/921363372.db2.gz WTTJLAXGUMHYBG-UHFFFAOYSA-N 0 0 411.483 4.312 20 5 HIBDRN O=C(NC1CC1)c1ccc(NCc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])c1 ZINC000512867601 921368324 /nfs/dbraw/zinc/36/83/24/921368324.db2.gz RYXQIHQOWONFEZ-UHFFFAOYSA-N 0 0 402.863 4.362 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000498532535 908000837 /nfs/dbraw/zinc/00/08/37/908000837.db2.gz SKRINOFYGIFIIN-UHFFFAOYSA-N 0 0 416.359 4.392 20 5 HIBDRN Cc1c(-c2ccccc2)sc2ncn(CC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)c12 ZINC000498573861 908030187 /nfs/dbraw/zinc/03/01/87/908030187.db2.gz VXBNTZAVZGHMBX-UHFFFAOYSA-N 0 0 405.435 4.225 20 5 HIBDRN Cc1cccc([C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2ccccn2)c1 ZINC000498611973 908058705 /nfs/dbraw/zinc/05/87/05/908058705.db2.gz DJDVIMUAMZECMZ-JOCHJYFZSA-N 0 0 413.437 4.003 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)cc1F ZINC000498640018 908080925 /nfs/dbraw/zinc/08/09/25/908080925.db2.gz RNTOGQQQXCDVQJ-GFCCVEGCSA-N 0 0 421.388 4.132 20 5 HIBDRN COc1ccc([C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000512885513 921381190 /nfs/dbraw/zinc/38/11/90/921381190.db2.gz QTGMSFYRPWANSC-QHCPKHFHSA-N 0 0 406.438 4.196 20 5 HIBDRN COC[C@H]1CCN1C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000498787765 908202848 /nfs/dbraw/zinc/20/28/48/908202848.db2.gz KDHGNVNALFNKCU-CYBMUJFWSA-N 0 0 415.496 4.217 20 5 HIBDRN COc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Oc1ccc(C)nn1 ZINC000498794452 908206363 /nfs/dbraw/zinc/20/63/63/908206363.db2.gz XLXWTXKQNJKBHN-UHFFFAOYSA-N 0 0 419.397 4.228 20 5 HIBDRN COc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Oc1ccc(C)nn1 ZINC000498797126 908208007 /nfs/dbraw/zinc/20/80/07/908208007.db2.gz BRWIEYFEKDCEGO-UHFFFAOYSA-N 0 0 422.441 4.410 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCSc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000498814017 908222388 /nfs/dbraw/zinc/22/23/88/908222388.db2.gz LQHMQZBYCBGHHB-OAHLLOKOSA-N 0 0 412.446 4.347 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000498849454 908253467 /nfs/dbraw/zinc/25/34/67/908253467.db2.gz FANZIGNOXNRVML-GOSISDBHSA-N 0 0 418.352 4.156 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C(F)F)ccc2Cl)cc1[N+](=O)[O-] ZINC000498970459 908362198 /nfs/dbraw/zinc/36/21/98/908362198.db2.gz HRXRFQHROXIQBD-JTQLQIEISA-N 0 0 411.792 4.310 20 5 HIBDRN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498985352 908371648 /nfs/dbraw/zinc/37/16/48/908371648.db2.gz UWHNRNVAVFWFFM-LBPRGKRZSA-N 0 0 424.284 4.241 20 5 HIBDRN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc([N+](=O)[O-])s1 ZINC000499015650 908392201 /nfs/dbraw/zinc/39/22/01/908392201.db2.gz WGBACOQSGYKGPF-UHFFFAOYSA-N 0 0 424.265 4.425 20 5 HIBDRN C[C@H](c1c(F)cccc1F)N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000499017877 908393441 /nfs/dbraw/zinc/39/34/41/908393441.db2.gz VXDBTTRQENTCDP-GFCCVEGCSA-N 0 0 400.385 4.035 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1OC ZINC000499097406 908458644 /nfs/dbraw/zinc/45/86/44/908458644.db2.gz BWWPJGMCPOTIEY-CABCVRRESA-N 0 0 401.463 4.350 20 5 HIBDRN CC[C@H](NC(=O)N[C@H](C)c1ccc(OC)c(OC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000499117911 908476403 /nfs/dbraw/zinc/47/64/03/908476403.db2.gz ODHNLELANYGRKI-KDOFPFPSSA-N 0 0 401.463 4.432 20 5 HIBDRN CCCn1ncc(C(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])c1C1CC1 ZINC000499132289 908489009 /nfs/dbraw/zinc/48/90/09/908489009.db2.gz CNUIGYXPHUGVPW-UHFFFAOYSA-N 0 0 402.451 4.128 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(OCCOc2ccccc2)cc1 ZINC000499133178 908489693 /nfs/dbraw/zinc/48/96/93/908489693.db2.gz HAZZRARZCXZCQS-UHFFFAOYSA-N 0 0 422.437 4.242 20 5 HIBDRN CCn1c(Sc2ccc([N+](=O)[O-])cc2Br)nnc1-c1ccccn1 ZINC000499151237 908509585 /nfs/dbraw/zinc/50/95/85/908509585.db2.gz KYKRWHXGYHNMJO-UHFFFAOYSA-N 0 0 406.265 4.182 20 5 HIBDRN O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000499151770 908510828 /nfs/dbraw/zinc/51/08/28/908510828.db2.gz OTXNNXHUUMCHQW-UHFFFAOYSA-N 0 0 424.844 4.308 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000499152453 908511385 /nfs/dbraw/zinc/51/13/85/908511385.db2.gz CDTMHXUIRKNMOR-UHFFFAOYSA-N 0 0 413.455 4.112 20 5 HIBDRN CC[C@@H](NC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000499235879 908598965 /nfs/dbraw/zinc/59/89/65/908598965.db2.gz HOIOMTHHXHNQEW-MRXNPFEDSA-N 0 0 422.865 4.163 20 5 HIBDRN Cc1ccccc1-n1nccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000499293318 908665668 /nfs/dbraw/zinc/66/56/68/908665668.db2.gz IIRMMBHAXOBGDX-UHFFFAOYSA-N 0 0 408.461 4.288 20 5 HIBDRN Cc1ccccc1-n1nccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000499293755 908666975 /nfs/dbraw/zinc/66/69/75/908666975.db2.gz SWBOHYXQACPHRO-CYBMUJFWSA-N 0 0 400.822 4.148 20 5 HIBDRN CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000499319147 908691228 /nfs/dbraw/zinc/69/12/28/908691228.db2.gz FSDAPLMCMCIPOV-GOSISDBHSA-N 0 0 424.906 4.121 20 5 HIBDRN COc1cc(C(=O)Nc2ccnc(C)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000499405403 908769887 /nfs/dbraw/zinc/76/98/87/908769887.db2.gz MPDUJOHTYNYCAW-UHFFFAOYSA-N 0 0 414.805 4.400 20 5 HIBDRN CCc1cc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000499417479 908781555 /nfs/dbraw/zinc/78/15/55/908781555.db2.gz WGPOTTZTQJKESK-UHFFFAOYSA-N 0 0 418.457 4.014 20 5 HIBDRN CCc1cc(NC(=O)Cc2coc(-c3cccs3)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000499426583 908790805 /nfs/dbraw/zinc/79/08/05/908790805.db2.gz ZHKIRSAMVOWCGJ-UHFFFAOYSA-N 0 0 408.439 4.025 20 5 HIBDRN O=C(Nc1cc(F)c(F)cc1Br)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000499440861 908800709 /nfs/dbraw/zinc/80/07/09/908800709.db2.gz DGLORYCAKVMXRN-UHFFFAOYSA-N 0 0 408.158 4.436 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000499629165 908861013 /nfs/dbraw/zinc/86/10/13/908861013.db2.gz ZVUIDZDFKXXOIV-HZPDHXFCSA-N 0 0 420.296 4.354 20 5 HIBDRN Cc1cc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc([N+](=O)[O-])c1 ZINC000499685976 908877249 /nfs/dbraw/zinc/87/72/49/908877249.db2.gz 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CC(C)[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000500144305 909622923 /nfs/dbraw/zinc/62/29/23/909622923.db2.gz ISWHBWSLCJYDMU-INIZCTEOSA-N 0 0 400.859 4.405 20 5 HIBDRN CCCN(CCc1cccc(F)c1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000500153264 909630851 /nfs/dbraw/zinc/63/08/51/909630851.db2.gz YKPSBTWZCCTOKS-UHFFFAOYSA-N 0 0 400.859 4.031 20 5 HIBDRN Cc1nn(CCO)c(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1C ZINC000500232181 909721278 /nfs/dbraw/zinc/72/12/78/909721278.db2.gz PIAIYRFRTRZRTE-UHFFFAOYSA-N 0 0 416.865 4.458 20 5 HIBDRN O=C(Nc1cc(C(F)F)ccc1Cl)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000500258938 909743325 /nfs/dbraw/zinc/74/33/25/909743325.db2.gz RHUXNWFXWDVLNZ-UHFFFAOYSA-N 0 0 423.803 4.316 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000500274031 909754535 /nfs/dbraw/zinc/75/45/35/909754535.db2.gz BLMXCQRNORGCHG-SNVBAGLBSA-N 0 0 421.226 4.417 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)ccc1S(C)(=O)=O ZINC000500300299 909766548 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KJAWJOMZOCIDEM-GFCCVEGCSA-N 0 0 413.293 4.022 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H](CO)c2ccc(Br)cc2)c(Br)c1 ZINC000501994123 910967440 /nfs/dbraw/zinc/96/74/40/910967440.db2.gz LMXYQXUZGZEMHE-CQSZACIVSA-N 0 0 416.069 4.265 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2cccc(O)c2)cc1 ZINC000502057474 911006214 /nfs/dbraw/zinc/00/62/14/911006214.db2.gz MCIHPVOZQLMASC-UHFFFAOYSA-N 0 0 408.410 4.074 20 5 HIBDRN COCc1ccccc1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000502096313 911033430 /nfs/dbraw/zinc/03/34/30/911033430.db2.gz ZYERBZRKWUVAAL-UHFFFAOYSA-N 0 0 402.248 4.086 20 5 HIBDRN COc1ccc(Cl)cc1C1(CNC(=O)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000502117559 911046032 /nfs/dbraw/zinc/04/60/32/911046032.db2.gz HKRFVXKFSKHHNN-UHFFFAOYSA-N 0 0 418.877 4.043 20 5 HIBDRN Cc1ccc(Oc2ccccc2NC(=O)Cn2cc(Cl)cc([N+](=O)[O-])c2=O)cc1 ZINC000502133353 911059078 /nfs/dbraw/zinc/05/90/78/911059078.db2.gz KCJNKMSOOFDQRN-UHFFFAOYSA-N 0 0 413.817 4.149 20 5 HIBDRN Cc1c(Cl)c(Cn2cc(Br)cc([N+](=O)[O-])c2=O)nc2ccccc12 ZINC000502139585 911064523 /nfs/dbraw/zinc/06/45/23/911064523.db2.gz SAHKXKGZRLPMTN-UHFFFAOYSA-N 0 0 408.639 4.077 20 5 HIBDRN Nc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(Cl)c1 ZINC000502140253 911064817 /nfs/dbraw/zinc/06/48/17/911064817.db2.gz ULKYUZLCKWPCIH-UHFFFAOYSA-N 0 0 416.684 4.324 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000502142201 911066151 /nfs/dbraw/zinc/06/61/51/911066151.db2.gz LSWQZMUSBGHAKI-GFCCVEGCSA-N 0 0 412.364 4.426 20 5 HIBDRN CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)oc21 ZINC000502335612 911315904 /nfs/dbraw/zinc/31/59/04/911315904.db2.gz WTCTXIJEJDCRHV-ZDUSSCGKSA-N 0 0 404.444 4.088 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)cc([N+](=O)[O-])c1 ZINC000502394956 911380274 /nfs/dbraw/zinc/38/02/74/911380274.db2.gz WIUHCULHUPHECB-CQSZACIVSA-N 0 0 420.824 4.021 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccccc2OC)cc1 ZINC000502397490 911382916 /nfs/dbraw/zinc/38/29/16/911382916.db2.gz AMDXZBVASQFGDF-NRFANRHFSA-N 0 0 410.401 4.271 20 5 HIBDRN COc1cc(C(=O)N[C@@H](COc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000502403775 911387925 /nfs/dbraw/zinc/38/79/25/911387925.db2.gz FPGSLQOSCSRBSY-IBGZPJMESA-N 0 0 422.437 4.162 20 5 HIBDRN CN(CCCCCc1cc(-c2ccccc2)no1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000502416006 911397238 /nfs/dbraw/zinc/39/72/38/911397238.db2.gz IVOLDQBVCLKUFI-UHFFFAOYSA-N 0 0 406.446 4.142 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000502519932 911525773 /nfs/dbraw/zinc/52/57/73/911525773.db2.gz OMQODHWZORMPFX-UHFFFAOYSA-N 0 0 404.488 4.087 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000502520669 911525974 /nfs/dbraw/zinc/52/59/74/911525974.db2.gz VTQOHNILCUKCKZ-UHFFFAOYSA-N 0 0 415.515 4.370 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000502559921 911563508 /nfs/dbraw/zinc/56/35/08/911563508.db2.gz IUTDISQNHQYGPX-UHFFFAOYSA-N 0 0 420.487 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CCOc1ccc([C@@H]2CCCN2C(=O)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)cc1 ZINC000502884756 911883808 /nfs/dbraw/zinc/88/38/08/911883808.db2.gz KDDKADLVYODMSN-FQEVSTJZSA-N 0 0 408.458 4.015 20 5 HIBDRN CN(CC1(O)CCCC1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000502893346 911888687 /nfs/dbraw/zinc/88/86/87/911888687.db2.gz PKMYUKCRXSWVSB-UHFFFAOYSA-N 0 0 417.893 4.237 20 5 HIBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1csc(Cc2cccc(F)c2)n1 ZINC000503057879 912022897 /nfs/dbraw/zinc/02/28/97/912022897.db2.gz JMNDBXJGBUMWQQ-UHFFFAOYSA-N 0 0 423.429 4.219 20 5 HIBDRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000503085326 912054119 /nfs/dbraw/zinc/05/41/19/912054119.db2.gz OBCWUTXWWURSBW-UHFFFAOYSA-N 0 0 406.442 4.018 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2ccc(F)cc2n1C ZINC000503103789 912072190 /nfs/dbraw/zinc/07/21/90/912072190.db2.gz BSTGVLRTVGHIIR-UHFFFAOYSA-N 0 0 416.478 4.095 20 5 HIBDRN Cc1c(CNC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cccc1[N+](=O)[O-] ZINC000503112026 912077343 /nfs/dbraw/zinc/07/73/43/912077343.db2.gz ZEUYRRSVSJLYJU-MSOLQXFVSA-N 0 0 424.284 4.010 20 5 HIBDRN Cc1cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc(C)c1OC(F)F ZINC000503119184 912081832 /nfs/dbraw/zinc/08/18/32/912081832.db2.gz LCXHTMQRXWERKE-UHFFFAOYSA-N 0 0 408.357 4.227 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1OCc1ccccc1 ZINC000503133595 912096075 /nfs/dbraw/zinc/09/60/75/912096075.db2.gz SPRNHQXCPJXQTJ-UHFFFAOYSA-N 0 0 408.410 4.200 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC000503145499 912109597 /nfs/dbraw/zinc/10/95/97/912109597.db2.gz XAMSTEOVMZFUPM-UHFFFAOYSA-N 0 0 407.764 4.327 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1csc(-c2ccccc2)n1 ZINC000503160854 912129899 /nfs/dbraw/zinc/12/98/99/912129899.db2.gz HHDNAHJWXPQMOB-GFCCVEGCSA-N 0 0 417.874 4.455 20 5 HIBDRN CCc1ccc(-n2nc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)c3c2CCC3)cc1 ZINC000503163751 912134829 /nfs/dbraw/zinc/13/48/29/912134829.db2.gz DFZTZWZMDFZMKW-HNNXBMFYSA-N 0 0 416.481 4.423 20 5 HIBDRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000503167134 912139429 /nfs/dbraw/zinc/13/94/29/912139429.db2.gz PCMNXWRKPUARCJ-INIZCTEOSA-N 0 0 420.469 4.407 20 5 HIBDRN COc1ccc(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)c([N+](=O)[O-])c1 ZINC000503217270 912199864 /nfs/dbraw/zinc/19/98/64/912199864.db2.gz NCPISRAVZYCZKH-UHFFFAOYSA-N 0 0 421.438 4.165 20 5 HIBDRN COc1ccc([C@H]2C[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Br)C2)cc1F ZINC000506300049 914894165 /nfs/dbraw/zinc/89/41/65/914894165.db2.gz IQDWCJDSLZBUEG-HAQNSBGRSA-N 0 0 423.238 4.181 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000506316556 914911404 /nfs/dbraw/zinc/91/14/04/914911404.db2.gz VHYUXXJTZGAUMS-INIZCTEOSA-N 0 0 403.307 4.013 20 5 HIBDRN COc1ccc([C@H]2C[C@H](NC(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)cc1F ZINC000506320436 914921437 /nfs/dbraw/zinc/92/14/37/914921437.db2.gz GTQLILFRUMCXRP-AULYBMBSSA-N 0 0 423.238 4.181 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N(C)C[C@@H]3OCCc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000506333144 914945584 /nfs/dbraw/zinc/94/55/84/914945584.db2.gz CPFVRBANDOMRSV-SBUREZEXSA-N 0 0 423.513 4.217 20 5 HIBDRN Cc1cc(OCC(=O)NCc2ccc(COC(C)C)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000506432942 915034036 /nfs/dbraw/zinc/03/40/36/915034036.db2.gz KZSJSGQZHRDDEC-UHFFFAOYSA-N 0 0 406.866 4.177 20 5 HIBDRN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506472646 915072657 /nfs/dbraw/zinc/07/26/57/915072657.db2.gz GEDQIPUXAZQZKZ-NDEPHWFRSA-N 0 0 402.472 4.134 20 5 HIBDRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000506475418 915078682 /nfs/dbraw/zinc/07/86/82/915078682.db2.gz WOYUQNCODZYXCX-UHFFFAOYSA-N 0 0 409.820 4.377 20 5 HIBDRN COC(=O)c1ccc(-c2nc(COc3c(Cl)cncc3[N+](=O)[O-])cs2)cc1 ZINC000506542743 915189072 /nfs/dbraw/zinc/18/90/72/915189072.db2.gz WOUUPXYZUKFZJG-UHFFFAOYSA-N 0 0 405.819 4.132 20 5 HIBDRN O=C(Nc1ccccc1)c1cccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000513381755 921755587 /nfs/dbraw/zinc/75/55/87/921755587.db2.gz SPFGJQBPZKCOCO-UHFFFAOYSA-N 0 0 401.422 4.440 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000506708086 915385165 /nfs/dbraw/zinc/38/51/65/915385165.db2.gz YOGKHWFZUZESPA-UHFFFAOYSA-N 0 0 419.437 4.027 20 5 HIBDRN COc1ccc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1OCC(F)(F)F ZINC000506825585 915592607 /nfs/dbraw/zinc/59/26/07/915592607.db2.gz XCNJVTQKJCFBGV-UHFFFAOYSA-N 0 0 411.336 4.173 20 5 HIBDRN CC(C)Cn1c(Sc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)nnc1-c1ccco1 ZINC000506837713 915614788 /nfs/dbraw/zinc/61/47/88/915614788.db2.gz HEOHOLQOXDSAPI-UHFFFAOYSA-N 0 0 413.459 4.138 20 5 HIBDRN COC(=O)c1ccc(Cl)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000506922174 915722663 /nfs/dbraw/zinc/72/26/63/915722663.db2.gz HANHGELZJZDOQP-UHFFFAOYSA-N 0 0 405.838 4.477 20 5 HIBDRN CN(CCCCCc1cc(-c2ccccc2)no1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000507033887 915832371 /nfs/dbraw/zinc/83/23/71/915832371.db2.gz HOBZQFVOPMCLFN-UHFFFAOYSA-N 0 0 408.458 4.198 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CSCc2nc(-c3ccc4c(c3)OCO4)no2)c(F)c1 ZINC000507092311 915865125 /nfs/dbraw/zinc/86/51/25/915865125.db2.gz BIPNQDHSWXFIGJ-UHFFFAOYSA-N 0 0 407.354 4.085 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000507258076 916019848 /nfs/dbraw/zinc/01/98/48/916019848.db2.gz BHMKWDTVMVGUCC-CYBMUJFWSA-N 0 0 420.872 4.291 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c([N+](=O)[O-])c1 ZINC000507388070 916147952 /nfs/dbraw/zinc/14/79/52/916147952.db2.gz DLCZYYVUEQEQLB-UHFFFAOYSA-N 0 0 414.405 4.275 20 5 HIBDRN C[C@@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000507392080 916152887 /nfs/dbraw/zinc/15/28/87/916152887.db2.gz ZHRMRJBRQSHZSC-IAQYHMDHSA-N 0 0 422.268 4.132 20 5 HIBDRN C[C@H](NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] ZINC000507500668 916266497 /nfs/dbraw/zinc/26/64/97/916266497.db2.gz ZPOOONIMFKGXLF-SUMWQHHRSA-N 0 0 412.471 4.049 20 5 HIBDRN O=C(CC[S@](=O)Cc1c(Cl)cccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000507697249 916476540 /nfs/dbraw/zinc/47/65/40/916476540.db2.gz JYIWHQVAIMEWBU-VWLOTQADSA-N 0 0 401.271 4.179 20 5 HIBDRN O=C(CC[S@@](=O)Cc1csc(-c2cccs2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000507699665 916482339 /nfs/dbraw/zinc/48/23/39/916482339.db2.gz UHQXQWOKEOEOPL-HHHXNRCGSA-N 0 0 421.525 4.057 20 5 HIBDRN C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000507723469 916516278 /nfs/dbraw/zinc/51/62/78/916516278.db2.gz LMDMRBMMTOWERI-SNVBAGLBSA-N 0 0 413.268 4.466 20 5 HIBDRN Cc1ccc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-] ZINC000507861942 916694911 /nfs/dbraw/zinc/69/49/11/916694911.db2.gz SUYZVVSHUJTWOJ-UHFFFAOYSA-N 0 0 413.481 4.500 20 5 HIBDRN O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000507972696 916823317 /nfs/dbraw/zinc/82/33/17/916823317.db2.gz XZNMISZUWAFDBT-LJQANCHMSA-N 0 0 403.841 4.335 20 5 HIBDRN Cc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1[N+](=O)[O-] ZINC000507978343 916825905 /nfs/dbraw/zinc/82/59/05/916825905.db2.gz CXTMOCWZWSPUSN-HNNXBMFYSA-N 0 0 410.405 4.112 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC(C)(C)c3ccccc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000508005398 916844185 /nfs/dbraw/zinc/84/41/85/916844185.db2.gz KMHHBOSFTGGSHG-UHFFFAOYSA-N 0 0 406.486 4.430 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(-c3cc(Br)cnc3OCC3CC3)n2)cc1 ZINC000508024482 916859137 /nfs/dbraw/zinc/85/91/37/916859137.db2.gz CNCZIKYHKYGFNA-UHFFFAOYSA-N 0 0 417.219 4.258 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC23CCC(C(F)(F)F)(CC2)CC3)c1 ZINC000508142802 916962670 /nfs/dbraw/zinc/96/26/70/916962670.db2.gz MQAQTMTVQCYKAL-UHFFFAOYSA-N 0 0 406.426 4.145 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C)cc1[N+](=O)[O-] ZINC000508145039 916964384 /nfs/dbraw/zinc/96/43/84/916964384.db2.gz XYLNHRZJCPEIRA-UHFFFAOYSA-N 0 0 419.503 4.093 20 5 HIBDRN C[C@H]1CCC[C@H](C)N1C(=O)COc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000508147742 916967763 /nfs/dbraw/zinc/96/77/63/916967763.db2.gz FKASGLGKGHYJSU-RYUDHWBXSA-N 0 0 422.279 4.074 20 5 HIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(Oc2ccccc2Cl)CC1 ZINC000508161504 916982341 /nfs/dbraw/zinc/98/23/41/916982341.db2.gz PXJSONNGBBVVBZ-UHFFFAOYSA-N 0 0 413.865 4.092 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCCc3cc(Cl)cc(Cl)c32)cc([N+](=O)[O-])c1 ZINC000508204779 917024296 /nfs/dbraw/zinc/02/42/96/917024296.db2.gz OBEJDNSTLOZZDW-UHFFFAOYSA-N 0 0 409.225 4.281 20 5 HIBDRN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCc2cc(Cl)cc(Cl)c21 ZINC000508204908 917025506 /nfs/dbraw/zinc/02/55/06/917025506.db2.gz OSOYQODZAHIZMS-UHFFFAOYSA-N 0 0 418.240 4.075 20 5 HIBDRN COc1cc(NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000508245834 917065487 /nfs/dbraw/zinc/06/54/87/917065487.db2.gz HXDSQUGOPQBNCR-NSHDSACASA-N 0 0 402.344 4.024 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCCCOC3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000508257119 917074897 /nfs/dbraw/zinc/07/48/97/917074897.db2.gz LCLBBIFCZVAYSJ-QGZVFWFLSA-N 0 0 403.523 4.300 20 5 HIBDRN Cc1cccc2[nH]cc(CC(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c21 ZINC000508284699 917097330 /nfs/dbraw/zinc/09/73/30/917097330.db2.gz IHLCXHOCPSFVIK-UHFFFAOYSA-N 0 0 420.391 4.174 20 5 HIBDRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000508467500 917251760 /nfs/dbraw/zinc/25/17/60/917251760.db2.gz MXYWCIYVVIXHEJ-INIZCTEOSA-N 0 0 411.241 4.196 20 5 HIBDRN O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000508527295 917310464 /nfs/dbraw/zinc/31/04/64/917310464.db2.gz LOPQMWJORUNTSZ-UHFFFAOYSA-N 0 0 415.409 4.284 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1nc(Cc2cc(F)cc(Br)c2)no1 ZINC000508588964 917361593 /nfs/dbraw/zinc/36/15/93/917361593.db2.gz QBNGUGJLEIJEQO-UHFFFAOYSA-N 0 0 421.226 4.125 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(CC(F)(F)F)c1ccccn1 ZINC000508600070 917370782 /nfs/dbraw/zinc/37/07/82/917370782.db2.gz USPGBZRTWOBCHJ-UHFFFAOYSA-N 0 0 408.361 4.322 20 5 HIBDRN CC(C)[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000508629359 917394921 /nfs/dbraw/zinc/39/49/21/917394921.db2.gz JULWXSRSGHOITP-HNNXBMFYSA-N 0 0 424.284 4.396 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000508765339 917520739 /nfs/dbraw/zinc/52/07/39/917520739.db2.gz SYFVTOXZRZJIDH-KRWDZBQOSA-N 0 0 419.275 4.492 20 5 HIBDRN O=C(N[C@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1I ZINC000508802623 917557554 /nfs/dbraw/zinc/55/75/54/917557554.db2.gz RGJTUVAYGSMXCN-MRXNPFEDSA-N 0 0 422.222 4.081 20 5 HIBDRN CSc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1[N+](=O)[O-] ZINC000508819961 917573874 /nfs/dbraw/zinc/57/38/74/917573874.db2.gz VRDZNCQUHSIRBA-LBPRGKRZSA-N 0 0 400.435 4.133 20 5 HIBDRN COc1cccc(CCNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000508842633 917595039 /nfs/dbraw/zinc/59/50/39/917595039.db2.gz PEQCMBOFNFGEMS-INIZCTEOSA-N 0 0 420.469 4.144 20 5 HIBDRN Cc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000508883387 917636166 /nfs/dbraw/zinc/63/61/66/917636166.db2.gz VXRZYYNQTAMVGL-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000508903063 917658689 /nfs/dbraw/zinc/65/86/89/917658689.db2.gz XIKMZAKLUBURSB-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c(F)c1 ZINC000508989735 917743599 /nfs/dbraw/zinc/74/35/99/917743599.db2.gz AAKHAOUVRJVSBO-KRWDZBQOSA-N 0 0 400.328 4.048 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1ccccc1 ZINC000509060338 917807362 /nfs/dbraw/zinc/80/73/62/917807362.db2.gz KMHCXLXSLCNPHR-UHFFFAOYSA-N 0 0 410.211 4.175 20 5 HIBDRN O=C(COc1cccc2cccnc21)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000509154041 917873133 /nfs/dbraw/zinc/87/31/33/917873133.db2.gz NXXZOHKNIZWPFP-UHFFFAOYSA-N 0 0 419.359 4.113 20 5 HIBDRN Cc1csc(Sc2c(Cl)cccc2NC(=O)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000509214939 917915589 /nfs/dbraw/zinc/91/55/89/917915589.db2.gz CLTUBJOQHAFOHO-UHFFFAOYSA-N 0 0 423.907 4.390 20 5 HIBDRN O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000509266633 917955838 /nfs/dbraw/zinc/95/58/38/917955838.db2.gz ZEDATBMRDAJQNH-OAHLLOKOSA-N 0 0 422.338 4.343 20 5 HIBDRN CCOc1ccccc1[C@@H](CC)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000509308303 917984782 /nfs/dbraw/zinc/98/47/82/917984782.db2.gz XDLVPURTIPTAEO-LJQANCHMSA-N 0 0 408.458 4.275 20 5 HIBDRN COc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC(F)F ZINC000509313532 917990077 /nfs/dbraw/zinc/99/00/77/917990077.db2.gz JHBNDJRLMCQPKY-UHFFFAOYSA-N 0 0 423.416 4.325 20 5 HIBDRN O=C(NCCc1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000509326540 917999309 /nfs/dbraw/zinc/99/93/09/917999309.db2.gz HEIIGZLQKVTAPM-UHFFFAOYSA-N 0 0 423.856 4.473 20 5 HIBDRN COc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC ZINC000509329509 918000470 /nfs/dbraw/zinc/00/04/70/918000470.db2.gz ZVGFVWVNCDGDIB-CYBMUJFWSA-N 0 0 416.327 4.175 20 5 HIBDRN CC[C@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509391025 918056220 /nfs/dbraw/zinc/05/62/20/918056220.db2.gz XMXUYSNPGCDFKD-LBPRGKRZSA-N 0 0 402.401 4.323 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(N[C@H](C)c2ccncc2F)n1)c1ccncc1F ZINC000509450368 918103662 /nfs/dbraw/zinc/10/36/62/918103662.db2.gz RHUYGJFZPNNVHJ-VXGBXAGGSA-N 0 0 400.389 4.404 20 5 HIBDRN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000509462208 918113039 /nfs/dbraw/zinc/11/30/39/918113039.db2.gz GMXLVGIQUOTOAG-LSDHHAIUSA-N 0 0 418.444 4.022 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc2[nH]ccc21 ZINC000509496470 918142499 /nfs/dbraw/zinc/14/24/99/918142499.db2.gz SSTCZSCXIDVOTG-UHFFFAOYSA-N 0 0 421.194 4.241 20 5 HIBDRN C[C@H]1c2cccc(Br)c2CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000509507596 918153454 /nfs/dbraw/zinc/15/34/54/918153454.db2.gz MASJFKQFEDLWER-LBPRGKRZSA-N 0 0 419.275 4.343 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN([C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000509561072 918210744 /nfs/dbraw/zinc/21/07/44/918210744.db2.gz ZTDIKSZDHNGPDB-OAHLLOKOSA-N 0 0 420.469 4.201 20 5 HIBDRN COc1cc(CNCc2cccc3c2OCO3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000509600163 918250131 /nfs/dbraw/zinc/25/01/31/918250131.db2.gz IJIDKYIBGAYBOE-UHFFFAOYSA-N 0 0 422.437 4.201 20 5 HIBDRN Cc1c(Br)cc(C(=O)N(C)C[C@@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC000509663848 918296822 /nfs/dbraw/zinc/29/68/22/918296822.db2.gz GQAHXECPTYPMPR-SFHVURJKSA-N 0 0 419.275 4.052 20 5 HIBDRN CC(C)Cc1ccc([C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000509679420 918309130 /nfs/dbraw/zinc/30/91/30/918309130.db2.gz IJNSCEPYJFYIBN-NRFANRHFSA-N 0 0 402.516 4.364 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)CSc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000509679018 918309822 /nfs/dbraw/zinc/30/98/22/918309822.db2.gz HBFJZHFIJZYQMZ-SFHVURJKSA-N 0 0 402.472 4.068 20 5 HIBDRN COCCN(Cc1cccs1)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000509683584 918314284 /nfs/dbraw/zinc/31/42/84/918314284.db2.gz TVSYYUQQEXWXIF-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000509751149 918368198 /nfs/dbraw/zinc/36/81/98/918368198.db2.gz LZCPURHOLLPGNZ-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000509816413 918418777 /nfs/dbraw/zinc/41/87/77/918418777.db2.gz OMRGINMGZDPYQW-KPZWWZAWSA-N 0 0 419.275 4.268 20 5 HIBDRN Cc1c(Br)cc(C(=O)NCc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000509848450 918451622 /nfs/dbraw/zinc/45/16/22/918451622.db2.gz BSYRCEFLYNRKCX-UHFFFAOYSA-N 0 0 406.261 4.205 20 5 HIBDRN O=C(NC1(c2cccc(Br)c2)CCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000509882082 918484346 /nfs/dbraw/zinc/48/43/46/918484346.db2.gz CKNZFDGWEFVCIM-UHFFFAOYSA-N 0 0 415.247 4.043 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000509893158 918495870 /nfs/dbraw/zinc/49/58/70/918495870.db2.gz IPAMVKJLYANTOB-UHFFFAOYSA-N 0 0 400.435 4.477 20 5 HIBDRN COc1ccc(C(=O)N2CCc3c(Br)cccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000509940644 918536064 /nfs/dbraw/zinc/53/60/64/918536064.db2.gz DUXZCUQYMHOSLA-LLVKDONJSA-N 0 0 405.248 4.125 20 5 HIBDRN CCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCc2ccccc2C1 ZINC000510008288 918590668 /nfs/dbraw/zinc/59/06/68/918590668.db2.gz QLBAHMUBROIGLQ-QFIPXVFZSA-N 0 0 404.470 4.190 20 5 HIBDRN Cc1c(Br)cc(C(=O)NC[C@H]2CCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000510041578 918612488 /nfs/dbraw/zinc/61/24/88/918612488.db2.gz PITRVDWMSCRFBH-KDOFPFPSSA-N 0 0 419.275 4.173 20 5 HIBDRN Cc1c(Br)cc(C(=O)NCc2cc(-c3ccccc3)on2)cc1[N+](=O)[O-] ZINC000510059214 918628955 /nfs/dbraw/zinc/62/89/55/918628955.db2.gz URISMPNQAIKYDG-UHFFFAOYSA-N 0 0 416.231 4.251 20 5 HIBDRN O=C(CCc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCCC1 ZINC000510136642 918693742 /nfs/dbraw/zinc/69/37/42/918693742.db2.gz XQHXDTQETJLGNP-UHFFFAOYSA-N 0 0 401.850 4.056 20 5 HIBDRN Cc1nc(C(C)(C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)sc1C ZINC000510229611 918771653 /nfs/dbraw/zinc/77/16/53/918771653.db2.gz IPVAUUJGGYAERX-UHFFFAOYSA-N 0 0 412.309 4.404 20 5 HIBDRN Cc1c(Br)cc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1[N+](=O)[O-] ZINC000510243547 918779926 /nfs/dbraw/zinc/77/99/26/918779926.db2.gz RBNAUUCQTSDUPP-HNNXBMFYSA-N 0 0 411.296 4.230 20 5 HIBDRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000510357010 918851197 /nfs/dbraw/zinc/85/11/97/918851197.db2.gz GFWPBLGJGAQLKK-OLZOCXBDSA-N 0 0 401.326 4.412 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000510412065 918881692 /nfs/dbraw/zinc/88/16/92/918881692.db2.gz LEHCGEHCDMOZQO-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(c1ccsc1)N1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510456423 918912848 /nfs/dbraw/zinc/91/28/48/918912848.db2.gz DQTSMQDGZZCYPQ-UHFFFAOYSA-N 0 0 411.483 4.264 20 5 HIBDRN Cc1cccc([C@@H](NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C(F)(F)F)c1 ZINC000510466120 918922806 /nfs/dbraw/zinc/92/28/06/918922806.db2.gz YBVBXHWFYDGRPB-QGZVFWFLSA-N 0 0 409.364 4.094 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000510506839 918954579 /nfs/dbraw/zinc/95/45/79/918954579.db2.gz BOGUHAFOAWGLTA-UHFFFAOYSA-N 0 0 404.413 4.367 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1[N+](=O)[O-] ZINC000510597180 919039100 /nfs/dbraw/zinc/03/91/00/919039100.db2.gz BSAWZGQDHXTDLD-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN CN(Cc1csc(Br)c1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000510663246 919103686 /nfs/dbraw/zinc/10/36/86/919103686.db2.gz FRGGEXGIGPMZRN-UHFFFAOYSA-N 0 0 421.320 4.451 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@H]4CCC[C@@H]43)o2)c(Br)c1 ZINC000510692255 919129664 /nfs/dbraw/zinc/12/96/64/919129664.db2.gz AKIXJCHEHCCJQD-WMZOPIPTSA-N 0 0 407.264 4.371 20 5 HIBDRN COc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1C(C)C ZINC000510837931 919319260 /nfs/dbraw/zinc/31/92/60/919319260.db2.gz SXJOXFKNCNTTHG-UHFFFAOYSA-N 0 0 406.866 4.361 20 5 HIBDRN CCN(CC)c1nc2sc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2s1 ZINC000510866048 919356579 /nfs/dbraw/zinc/35/65/79/919356579.db2.gz KEKFKCRYRKHMCU-UHFFFAOYSA-N 0 0 406.489 4.373 20 5 HIBDRN O=[N+]([O-])c1cc(F)ccc1OCc1nc(-c2ccc(Br)s2)no1 ZINC000510997702 919554828 /nfs/dbraw/zinc/55/48/28/919554828.db2.gz CUQPKGDWEOQGDI-UHFFFAOYSA-N 0 0 400.185 4.187 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000511065989 919665231 /nfs/dbraw/zinc/66/52/31/919665231.db2.gz UQPPETUFOVGRDE-UHFFFAOYSA-N 0 0 413.499 4.261 20 5 HIBDRN C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511072977 919671849 /nfs/dbraw/zinc/67/18/49/919671849.db2.gz NGVNEEKSKKRYGI-CQSZACIVSA-N 0 0 400.866 4.458 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)c2ncccc2OC)cc1 ZINC000511086715 919689056 /nfs/dbraw/zinc/68/90/56/919689056.db2.gz SXNFBAYJZSVCSH-UHFFFAOYSA-N 0 0 409.398 4.076 20 5 HIBDRN CCOC(=O)CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1F ZINC000511095330 919700050 /nfs/dbraw/zinc/70/00/50/919700050.db2.gz NKHMGYWRTPUMFT-UHFFFAOYSA-N 0 0 402.422 4.241 20 5 HIBDRN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1 ZINC000511140798 919759224 /nfs/dbraw/zinc/75/92/24/919759224.db2.gz YYCNGIYIARJTRF-GFCCVEGCSA-N 0 0 424.238 4.123 20 5 HIBDRN CC(C)Oc1cc(Br)ccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000511148380 919767742 /nfs/dbraw/zinc/76/77/42/919767742.db2.gz XZKIIKCGHJJUMP-UHFFFAOYSA-N 0 0 407.264 4.417 20 5 HIBDRN COc1cc(CN(Cc2ccco2)Cc2cccnc2)c([N+](=O)[O-])cc1OC(F)F ZINC000511202896 919816860 /nfs/dbraw/zinc/81/68/60/919816860.db2.gz ULSUTBKOXUOJOB-UHFFFAOYSA-N 0 0 419.384 4.395 20 5 HIBDRN O=C(NCc1ccc(OC(F)F)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000511293994 919889628 /nfs/dbraw/zinc/88/96/28/919889628.db2.gz PDRCBXDTPWMUGL-UHFFFAOYSA-N 0 0 419.153 4.028 20 5 HIBDRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511437304 920047430 /nfs/dbraw/zinc/04/74/30/920047430.db2.gz FIYUHUMGLWTROT-IFXJQAMLSA-N 0 0 405.882 4.208 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000511497381 920108011 /nfs/dbraw/zinc/10/80/11/920108011.db2.gz YKEUTBJYNUWEHU-HNNXBMFYSA-N 0 0 419.865 4.490 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000511564339 920206712 /nfs/dbraw/zinc/20/67/12/920206712.db2.gz FKCQCASKZRYOQB-IFMALSPDSA-N 0 0 411.502 4.255 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000511575259 920219677 /nfs/dbraw/zinc/21/96/77/920219677.db2.gz VNYDSACYFIDTDL-INIZCTEOSA-N 0 0 408.241 4.204 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000511586150 920232025 /nfs/dbraw/zinc/23/20/25/920232025.db2.gz FPWHVEKGLLQLNC-UHFFFAOYSA-N 0 0 424.844 4.481 20 5 HIBDRN COc1cc(F)c([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)cc1OC ZINC000511653700 920319248 /nfs/dbraw/zinc/31/92/48/920319248.db2.gz NJTASCGNAILRTF-CYBMUJFWSA-N 0 0 417.437 4.160 20 5 HIBDRN CN(C)C(=O)C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 ZINC000511724869 920390869 /nfs/dbraw/zinc/39/08/69/920390869.db2.gz 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Cc1nn(Cc2ccc(C(=O)N(C)Cc3c(F)cccc3F)cc2)c(C)c1[N+](=O)[O-] ZINC000511906419 920646427 /nfs/dbraw/zinc/64/64/27/920646427.db2.gz OXQMDLILSGHRCC-UHFFFAOYSA-N 0 0 414.412 4.007 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000511973242 920741464 /nfs/dbraw/zinc/74/14/64/920741464.db2.gz WPWNYKBCHTVMJR-UHFFFAOYSA-N 0 0 405.857 4.460 20 5 HIBDRN CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000512045798 920816936 /nfs/dbraw/zinc/81/69/36/920816936.db2.gz MTTMWRGWMNBAHO-UHFFFAOYSA-N 0 0 417.531 4.041 20 5 HIBDRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000512074132 920839941 /nfs/dbraw/zinc/83/99/41/920839941.db2.gz GLXWGMLUGBLUAL-AWEZNQCLSA-N 0 0 420.307 4.172 20 5 HIBDRN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000512098098 920859418 /nfs/dbraw/zinc/85/94/18/920859418.db2.gz QGZQYVXCSVFZPT-KSEOMHKRSA-N 0 0 411.502 4.130 20 5 HIBDRN COc1ccc([C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 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0 0 420.415 4.083 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000514179206 922518268 /nfs/dbraw/zinc/51/82/68/922518268.db2.gz GXHRKHQAKQTMFO-KRWDZBQOSA-N 0 0 411.424 4.390 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514220192 922555360 /nfs/dbraw/zinc/55/53/60/922555360.db2.gz YKJCNUZIPYJCPO-UHFFFAOYSA-N 0 0 409.776 4.303 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000514421232 922617754 /nfs/dbraw/zinc/61/77/54/922617754.db2.gz KSEWNDFKMFYYSV-SFHVURJKSA-N 0 0 424.375 4.426 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000514497762 922650869 /nfs/dbraw/zinc/65/08/69/922650869.db2.gz MANXHFBDCXLYNG-UHFFFAOYSA-N 0 0 409.486 4.135 20 5 HIBDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000514501677 922654495 /nfs/dbraw/zinc/65/44/95/922654495.db2.gz QYTYZOIUVZEZJE-QMTHXVAHSA-N 0 0 405.357 4.043 20 5 HIBDRN CCOc1cc(NC(=O)N(C)CCOc2ccc(F)cc2)c([N+](=O)[O-])cc1OCC ZINC000514503558 922656065 /nfs/dbraw/zinc/65/60/65/922656065.db2.gz ICAPXUVKYOGWKG-UHFFFAOYSA-N 0 0 421.425 4.074 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000514511113 922664364 /nfs/dbraw/zinc/66/43/64/922664364.db2.gz VVVKZDITLJTGOU-UHFFFAOYSA-N 0 0 406.845 4.045 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000514578005 922713759 /nfs/dbraw/zinc/71/37/59/922713759.db2.gz BRNGVUMHWLFWJS-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN Cc1cc(OCc2nc(Cc3ccc(Br)c(F)c3)no2)ccc1[N+](=O)[O-] ZINC000514632503 922734720 /nfs/dbraw/zinc/73/47/20/922734720.db2.gz NFTVEIDROCZZOZ-UHFFFAOYSA-N 0 0 422.210 4.358 20 5 HIBDRN COc1cc(OC2CC2)ccc1-c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000514632735 922734831 /nfs/dbraw/zinc/73/48/31/922734831.db2.gz VKAPNVDUVRQVSS-UHFFFAOYSA-N 0 0 406.398 4.267 20 5 HIBDRN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000514693129 922759730 /nfs/dbraw/zinc/75/97/30/922759730.db2.gz UWROPCXWZSXEFI-LBPRGKRZSA-N 0 0 414.443 4.081 20 5 HIBDRN O=C(CSc1nnc(NCc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000514703209 922767160 /nfs/dbraw/zinc/76/71/60/922767160.db2.gz LBIYJNXZWNSEPM-UHFFFAOYSA-N 0 0 404.448 4.173 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000514724101 922773062 /nfs/dbraw/zinc/77/30/62/922773062.db2.gz RIWQQGNLEMEEEN-UHFFFAOYSA-N 0 0 411.845 4.327 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H](c3cccs3)C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000514889501 922834343 /nfs/dbraw/zinc/83/43/43/922834343.db2.gz JKVKYJKQTBOZFV-LJQANCHMSA-N 0 0 410.499 4.399 20 5 HIBDRN CCn1nc(C(C)C)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000514901577 922839516 /nfs/dbraw/zinc/83/95/16/922839516.db2.gz GFQYUJSYNNYSMF-UHFFFAOYSA-N 0 0 406.442 4.418 20 5 HIBDRN Cn1cc(C[C@H]2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000514907947 922841667 /nfs/dbraw/zinc/84/16/67/922841667.db2.gz JANXFVMDMKMFNH-MRXNPFEDSA-N 0 0 422.510 4.184 20 5 HIBDRN Cc1c(Br)c(N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)ncc1[N+](=O)[O-] ZINC000514958718 922853713 /nfs/dbraw/zinc/85/37/13/922853713.db2.gz YZBSJMOLOMPJHR-QWHCGFSZSA-N 0 0 424.320 4.066 20 5 HIBDRN Cn1ccnc1[C@H](NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000515020904 922881143 /nfs/dbraw/zinc/88/11/43/922881143.db2.gz SHNAUUYLCKIGQR-IEBWSBKVSA-N 0 0 418.419 4.429 20 5 HIBDRN COc1c(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cccc1[N+](=O)[O-] ZINC000515051127 922891401 /nfs/dbraw/zinc/89/14/01/922891401.db2.gz QSCSPHBJTRMXRT-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN COc1cc(CNc2ccc(-n3ccc(C)n3)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000515078206 922896434 /nfs/dbraw/zinc/89/64/34/922896434.db2.gz ZONVDHSQDSHQLE-UHFFFAOYSA-N 0 0 418.400 4.354 20 5 HIBDRN O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000515090315 922903409 /nfs/dbraw/zinc/90/34/09/922903409.db2.gz SPNBZAHRFSVATD-GDBMZVCRSA-N 0 0 407.373 4.238 20 5 HIBDRN COC(=O)c1cc(CNC(=O)c2cc3ccccc3c3cccnc23)ccc1OC ZINC000515157085 922957676 /nfs/dbraw/zinc/95/76/76/922957676.db2.gz MGJYWXSQFQWEHQ-UHFFFAOYSA-N 0 0 400.434 4.113 20 5 HIBDRN O=C(Nc1ccccc1I)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000515159108 922960217 /nfs/dbraw/zinc/96/02/17/922960217.db2.gz BNMAJYNEEAIWRD-UHFFFAOYSA-N 0 0 408.151 4.198 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1C[C@H]2CCCN2c2ccccc21 ZINC000515172388 922966574 /nfs/dbraw/zinc/96/65/74/922966574.db2.gz CQPRQOLJPQCQOB-CYBMUJFWSA-N 0 0 421.375 4.165 20 5 HIBDRN CNc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000515206288 922990709 /nfs/dbraw/zinc/99/07/09/922990709.db2.gz GCYRRJVVSXCTOK-GJZGRUSLSA-N 0 0 410.474 4.007 20 5 HIBDRN CNc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000515206287 922992015 /nfs/dbraw/zinc/99/20/15/922992015.db2.gz GCYRRJVVSXCTOK-GASCZTMLSA-N 0 0 410.474 4.007 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc2ccccc2n1 ZINC000515213056 922995914 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405.227 4.431 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000515609554 923214315 /nfs/dbraw/zinc/21/43/15/923214315.db2.gz JSXFJGRKVKARRT-UHFFFAOYSA-N 0 0 405.382 4.404 20 5 HIBDRN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000515614054 923217750 /nfs/dbraw/zinc/21/77/50/923217750.db2.gz FXNYFIOEXNMBDA-STQMWFEESA-N 0 0 401.488 4.335 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(OCc2ccccc2)nc1 ZINC000515715843 923298623 /nfs/dbraw/zinc/29/86/23/923298623.db2.gz QSBCUKCYPNUCBL-HNNXBMFYSA-N 0 0 422.441 4.017 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000515718082 923299308 /nfs/dbraw/zinc/29/93/08/923299308.db2.gz ROSDSBGRWBRPJI-OAHLLOKOSA-N 0 0 414.437 4.233 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000515718081 923299659 /nfs/dbraw/zinc/29/96/59/923299659.db2.gz ROSDSBGRWBRPJI-HNNXBMFYSA-N 0 0 414.437 4.233 20 5 HIBDRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)C2)c1 ZINC000515717974 923299784 /nfs/dbraw/zinc/29/97/84/923299784.db2.gz IYMIAFFSGWNKCY-KRWDZBQOSA-N 0 0 410.474 4.403 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000515752458 923325682 /nfs/dbraw/zinc/32/56/82/923325682.db2.gz UVPKJWGUIICOAY-QGZVFWFLSA-N 0 0 408.888 4.378 20 5 HIBDRN COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000515784392 923348655 /nfs/dbraw/zinc/34/86/55/923348655.db2.gz FHHYIUADIHDDRF-UHFFFAOYSA-N 0 0 424.413 4.121 20 5 HIBDRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000515808695 923363741 /nfs/dbraw/zinc/36/37/41/923363741.db2.gz DBQWPVLCWVDDJV-LJQANCHMSA-N 0 0 412.877 4.296 20 5 HIBDRN CCN(C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000515873292 923406463 /nfs/dbraw/zinc/40/64/63/923406463.db2.gz NCFJGULKPSRVPF-CQSZACIVSA-N 0 0 419.453 4.086 20 5 HIBDRN CCOc1cc(CN(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000515904980 923423454 /nfs/dbraw/zinc/42/34/54/923423454.db2.gz MOVJBHLPIYMMPV-CYBMUJFWSA-N 0 0 423.416 4.498 20 5 HIBDRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000515937883 923452714 /nfs/dbraw/zinc/45/27/14/923452714.db2.gz RLSOBYMHAHPTKX-UHFFFAOYSA-N 0 0 424.840 4.174 20 5 HIBDRN Cc1c(NC(=O)c2cnc(-c3ccccc3)nc2)cc(Br)cc1[N+](=O)[O-] ZINC000516136654 923568222 /nfs/dbraw/zinc/56/82/22/923568222.db2.gz WGXMGLKITFBHDB-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000516150548 923577063 /nfs/dbraw/zinc/57/70/63/923577063.db2.gz LHRWIZJWBNDQAM-CYBMUJFWSA-N 0 0 419.279 4.005 20 5 HIBDRN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000516150549 923577846 /nfs/dbraw/zinc/57/78/46/923577846.db2.gz LHRWIZJWBNDQAM-ZDUSSCGKSA-N 0 0 419.279 4.005 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)c1 ZINC000516196339 923592911 /nfs/dbraw/zinc/59/29/11/923592911.db2.gz WXXAGVFWDSSSRJ-UHFFFAOYSA-N 0 0 423.425 4.228 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000516203693 923598327 /nfs/dbraw/zinc/59/83/27/923598327.db2.gz TYHABRYFVLDCIQ-SFHVURJKSA-N 0 0 413.478 4.110 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000516267033 923636437 /nfs/dbraw/zinc/63/64/37/923636437.db2.gz IBHPOWDSDAZQCU-ZDUSSCGKSA-N 0 0 424.482 4.151 20 5 HIBDRN O=C(CSc1ncccc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000516271704 923640741 /nfs/dbraw/zinc/64/07/41/923640741.db2.gz YHGGOXYLTVHVBK-AWEZNQCLSA-N 0 0 414.468 4.114 20 5 HIBDRN COc1ccc(Cl)cc1C1(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCOCC1 ZINC000516319059 923661918 /nfs/dbraw/zinc/66/19/18/923661918.db2.gz AHXWJYMVMZESAH-UHFFFAOYSA-N 0 0 418.877 4.043 20 5 HIBDRN COc1ccc(CC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000516384330 923705632 /nfs/dbraw/zinc/70/56/32/923705632.db2.gz DJWWDOILFMHYPF-INIZCTEOSA-N 0 0 420.746 4.358 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1F)c1cc([N+](=O)[O-])c[nH]1 ZINC000516533483 923783961 /nfs/dbraw/zinc/78/39/61/923783961.db2.gz ZOAYWACVMLBVRT-KRWDZBQOSA-N 0 0 418.222 4.344 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(-c3ccc(Cl)s3)on2)cc([N+](=O)[O-])c1 ZINC000516602086 923810089 /nfs/dbraw/zinc/81/00/89/923810089.db2.gz YPWCKTVIEUAVOP-UHFFFAOYSA-N 0 0 407.791 4.004 20 5 HIBDRN COc1ccc(OC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000516716466 923860091 /nfs/dbraw/zinc/86/00/91/923860091.db2.gz WTASUFLPMXVFSB-UHFFFAOYSA-N 0 0 405.838 4.332 20 5 HIBDRN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000516774147 923883097 /nfs/dbraw/zinc/88/30/97/923883097.db2.gz WATOKTHONJCHEN-UHFFFAOYSA-N 0 0 401.426 4.017 20 5 HIBDRN Cc1cccc(C)c1-n1nnnc1COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000516785986 923886026 /nfs/dbraw/zinc/88/60/26/923886026.db2.gz JNLJCPJPWBQZHB-UHFFFAOYSA-N 0 0 401.426 4.433 20 5 HIBDRN CCOCc1ccc(CNC(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000516787754 923887145 /nfs/dbraw/zinc/88/71/45/923887145.db2.gz LYQWKGDDAUOVOS-UHFFFAOYSA-N 0 0 420.465 4.494 20 5 HIBDRN CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cccc3ccccc32)cc([N+](=O)[O-])c1 ZINC000516798591 923891167 /nfs/dbraw/zinc/89/11/67/923891167.db2.gz LKISOZBTWVPICH-NRFANRHFSA-N 0 0 424.478 4.129 20 5 HIBDRN Cc1[nH]c2ccc(-c3noc(-c4cccc([N+](=O)[O-])c4N4CCOCC4)n3)cc2c1C ZINC000516892428 923928446 /nfs/dbraw/zinc/92/84/46/923928446.db2.gz LAVBBLAIZLFWEZ-UHFFFAOYSA-N 0 0 419.441 4.247 20 5 HIBDRN CSc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1[N+](=O)[O-] ZINC000517010021 923965294 /nfs/dbraw/zinc/96/52/94/923965294.db2.gz YJYBCBMTXNIDHF-UHFFFAOYSA-N 0 0 404.398 4.248 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000517021372 923966690 /nfs/dbraw/zinc/96/66/90/923966690.db2.gz ZMKLLNQTYPJJPJ-IRXDYDNUSA-N 0 0 403.276 4.162 20 5 HIBDRN Cc1cc(NC(=O)Cc2cscc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000517044034 923971414 /nfs/dbraw/zinc/97/14/14/923971414.db2.gz HKSFSGJEOKUKKL-UHFFFAOYSA-N 0 0 421.276 4.094 20 5 HIBDRN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1[N+](=O)[O-] ZINC000517126351 924012102 /nfs/dbraw/zinc/01/21/02/924012102.db2.gz UJTNCJYIRSRYLK-UHFFFAOYSA-N 0 0 407.879 4.109 20 5 HIBDRN Cc1c(NC(=O)Cc2cn(C)c3ccccc23)cc(Br)cc1[N+](=O)[O-] ZINC000517212806 924055366 /nfs/dbraw/zinc/05/53/66/924055366.db2.gz GEILFULAMUMDSM-UHFFFAOYSA-N 0 0 402.248 4.339 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCc2ccc(F)cc21 ZINC000517365477 924135275 /nfs/dbraw/zinc/13/52/75/924135275.db2.gz QCIIXCMQWUESEG-OAHLLOKOSA-N 0 0 411.355 4.358 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000517413866 924165501 /nfs/dbraw/zinc/16/55/01/924165501.db2.gz HELFUQIVGHEGJD-ZBFHGGJFSA-N 0 0 417.437 4.039 20 5 HIBDRN COc1ccc(CSCC(=O)NCc2cc3c(s2)CCCC3)cc1[N+](=O)[O-] ZINC000517413774 924165872 /nfs/dbraw/zinc/16/58/72/924165872.db2.gz WNNUFURFGWRUEJ-UHFFFAOYSA-N 0 0 406.529 4.093 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Nc2cc(F)ccc2OC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000517413863 924166160 /nfs/dbraw/zinc/16/61/60/924166160.db2.gz HELFUQIVGHEGJD-GDBMZVCRSA-N 0 0 417.437 4.039 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000517427936 924177043 /nfs/dbraw/zinc/17/70/43/924177043.db2.gz INVFAXKKRLUHJM-VFNWGFHPSA-N 0 0 404.413 4.008 20 5 HIBDRN CC(C)(c1csc(-c2cccs2)n1)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000517435058 924184642 /nfs/dbraw/zinc/18/46/42/924184642.db2.gz HMRATTVNLSAGIE-UHFFFAOYSA-N 0 0 413.484 4.475 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@@H]2c2ccccc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000517437154 924187107 /nfs/dbraw/zinc/18/71/07/924187107.db2.gz DHWKKGCXUUENNB-GOSISDBHSA-N 0 0 411.849 4.115 20 5 HIBDRN COc1cc(C(=O)N2CCCc3cc(F)cc(C)c32)c([N+](=O)[O-])cc1OC(F)F ZINC000517510581 924237801 /nfs/dbraw/zinc/23/78/01/924237801.db2.gz HPEZOVVCCVEGSK-UHFFFAOYSA-N 0 0 410.348 4.245 20 5 HIBDRN C[C@H](C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc([N+](=O)[O-])c1 ZINC000562393891 945068462 /nfs/dbraw/zinc/06/84/62/945068462.db2.gz CDNQWRASUGLUEL-HNNXBMFYSA-N 0 0 422.510 4.352 20 5 HIBDRN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000517558430 926680508 /nfs/dbraw/zinc/68/05/08/926680508.db2.gz AWLNYQVGJNYEOW-LLVKDONJSA-N 0 0 420.256 4.316 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCc3cc(Cl)cc(F)c32)cc1OC ZINC000517595194 926704348 /nfs/dbraw/zinc/70/43/48/926704348.db2.gz RWHOWPGNXRGXKP-UHFFFAOYSA-N 0 0 408.813 4.388 20 5 HIBDRN COc1ccc(CSCC(=O)NCC2(Sc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000517595385 926704983 /nfs/dbraw/zinc/70/49/83/926704983.db2.gz ZXKZGCXQUMAYKY-UHFFFAOYSA-N 0 0 418.540 4.278 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)c1[N+](=O)[O-] ZINC000517621279 926728927 /nfs/dbraw/zinc/72/89/27/926728927.db2.gz WQFWNACRYPOLRO-UHFFFAOYSA-N 0 0 403.439 4.018 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(-n3cncn3)c(C)c2)no1 ZINC000517624241 926732654 /nfs/dbraw/zinc/73/26/54/926732654.db2.gz SMTYUKMDFAUROB-INIZCTEOSA-N 0 0 404.430 4.270 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2nnc(C3CCCC3)n2C[C@H]2CCCO2)C2CC2)cc1 ZINC000517638662 926747139 /nfs/dbraw/zinc/74/71/39/926747139.db2.gz WEAJGDUTBWWDBN-HXUWFJFHSA-N 0 0 411.506 4.192 20 5 HIBDRN CC(C)CCn1ncc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1C(C)C ZINC000517652834 926760779 /nfs/dbraw/zinc/76/07/79/926760779.db2.gz CKUIETPYNOUKCE-UHFFFAOYSA-N 0 0 403.483 4.161 20 5 HIBDRN CCn1c(SCC(=O)NCc2cccc(C)c2)nc2cc3ccccc3cc2c1=O ZINC000517659259 926766958 /nfs/dbraw/zinc/76/69/58/926766958.db2.gz CAWBPJUPWBXCDT-UHFFFAOYSA-N 0 0 417.534 4.287 20 5 HIBDRN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C[C@H](C)O1 ZINC000517677881 926783221 /nfs/dbraw/zinc/78/32/21/926783221.db2.gz NWFKFSJNRWIBNW-HOCLYGCPSA-N 0 0 400.431 4.035 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000517772830 926829543 /nfs/dbraw/zinc/82/95/43/926829543.db2.gz OEZIBDMPYUOIFE-LJQANCHMSA-N 0 0 404.532 4.374 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(Sc2nncs2)cc1 ZINC000517861590 926867636 /nfs/dbraw/zinc/86/76/36/926867636.db2.gz NBSNGZBXELAVGQ-UHFFFAOYSA-N 0 0 402.457 4.005 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1 ZINC000517871719 926870251 /nfs/dbraw/zinc/87/02/51/926870251.db2.gz MMQPXIUFAAJCFL-UHFFFAOYSA-N 0 0 405.382 4.181 20 5 HIBDRN O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])N1CCC(c2ccccc2)=N1 ZINC000517914706 926889214 /nfs/dbraw/zinc/88/92/14/926889214.db2.gz UPTXDCQVRIZMPE-UHFFFAOYSA-N 0 0 401.422 4.277 20 5 HIBDRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000517933022 926895102 /nfs/dbraw/zinc/89/51/02/926895102.db2.gz YFYSRNVSAYUSAY-AWEZNQCLSA-N 0 0 421.291 4.264 20 5 HIBDRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000518025032 926963993 /nfs/dbraw/zinc/96/39/93/926963993.db2.gz HJURISSPGUFCBZ-LJQANCHMSA-N 0 0 416.861 4.027 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000518148084 927046571 /nfs/dbraw/zinc/04/65/71/927046571.db2.gz YDNGOCNGXLPQDL-QFIPXVFZSA-N 0 0 405.454 4.235 20 5 HIBDRN CCCOc1cc(NC(=O)N(C)C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCCC ZINC000518180502 927067726 /nfs/dbraw/zinc/06/77/26/927067726.db2.gz NWGZCGLQWYAQPT-HNNXBMFYSA-N 0 0 409.483 4.205 20 5 HIBDRN O=C(Nc1nc2ccc(Cl)cc2n1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000518247199 927105767 /nfs/dbraw/zinc/10/57/67/927105767.db2.gz OZFMQOZDOCLFQM-UHFFFAOYSA-N 0 0 407.817 4.294 20 5 HIBDRN Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C3)cc1 ZINC000518295072 927154762 /nfs/dbraw/zinc/15/47/62/927154762.db2.gz PHRMEWASAZPAGK-UHFFFAOYSA-N 0 0 419.441 4.074 20 5 HIBDRN Cc1cccc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000518311759 927172717 /nfs/dbraw/zinc/17/27/17/927172717.db2.gz QWAIYWHEQKOANB-SFHVURJKSA-N 0 0 401.894 4.341 20 5 HIBDRN O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3cc(Br)cs3)no2)c1 ZINC000518341122 927207948 /nfs/dbraw/zinc/20/79/48/927207948.db2.gz GTRWEEQCXKUMLR-UHFFFAOYSA-N 0 0 405.233 4.472 20 5 HIBDRN CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000518348312 927212352 /nfs/dbraw/zinc/21/23/52/927212352.db2.gz MZNPYFVIYUNUDK-NRFANRHFSA-N 0 0 421.449 4.343 20 5 HIBDRN CC(C)(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000518351211 927215277 /nfs/dbraw/zinc/21/52/77/927215277.db2.gz PADZQBMSBVJLJW-UHFFFAOYSA-N 0 0 406.280 4.134 20 5 HIBDRN C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000518354695 927216592 /nfs/dbraw/zinc/21/65/92/927216592.db2.gz GKNGEHWFRAMNAX-MRXNPFEDSA-N 0 0 406.442 4.129 20 5 HIBDRN COCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 ZINC000518372210 927226076 /nfs/dbraw/zinc/22/60/76/927226076.db2.gz HPYKHRQKGOUBRU-UHFFFAOYSA-N 0 0 413.455 4.304 20 5 HIBDRN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518389459 927235572 /nfs/dbraw/zinc/23/55/72/927235572.db2.gz UBQBDIAPQFVOFJ-LJQANCHMSA-N 0 0 416.441 4.154 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000518437661 927269594 /nfs/dbraw/zinc/26/95/94/927269594.db2.gz MMVFOQKFTAJHJY-UHFFFAOYSA-N 0 0 411.433 4.390 20 5 HIBDRN C[C@H](NC(=O)N1CCC(CN2CCc3ccccc32)CC1)c1cccc([N+](=O)[O-])c1 ZINC000518452370 927284190 /nfs/dbraw/zinc/28/41/90/927284190.db2.gz JSLAWZKEQYCBIK-KRWDZBQOSA-N 0 0 408.502 4.140 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)O[C@H](C)C2 ZINC000518605854 927374784 /nfs/dbraw/zinc/37/47/84/927374784.db2.gz ZMKXSEDUGBOMHI-QROBEVECSA-N 0 0 421.453 4.084 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(Br)cc2)C(C)C)c1 ZINC000518616613 927381086 /nfs/dbraw/zinc/38/10/86/927381086.db2.gz KRJACFGMUSFCGT-UHFFFAOYSA-N 0 0 407.264 4.417 20 5 HIBDRN COc1cc(OC)c(CCNC(=O)c2cc3ccccc3c3cccnc23)c(OC)c1 ZINC000518643643 927399645 /nfs/dbraw/zinc/39/96/45/927399645.db2.gz PGOOSEQHADBWCM-UHFFFAOYSA-N 0 0 416.477 4.386 20 5 HIBDRN CCCO[C@@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000518659614 927413078 /nfs/dbraw/zinc/41/30/78/927413078.db2.gz YHWONLQGCFXLEM-OAHLLOKOSA-N 0 0 417.428 4.223 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc([N+](=O)[O-])c1 ZINC000518665475 927415962 /nfs/dbraw/zinc/41/59/62/927415962.db2.gz DOPSOTLPUVOWGZ-FQEVSTJZSA-N 0 0 407.426 4.230 20 5 HIBDRN Cc1cc(=O)c(C(=O)N(c2ccccc2)C2CCCC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000518694783 927437877 /nfs/dbraw/zinc/43/78/77/927437877.db2.gz BGUYXSIUGQMQBL-UHFFFAOYSA-N 0 0 418.453 4.039 20 5 HIBDRN COc1cc(CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C2CC2)ccc1O ZINC000518723872 927455841 /nfs/dbraw/zinc/45/58/41/927455841.db2.gz SHILNXVDKOTKIM-UHFFFAOYSA-N 0 0 423.372 4.107 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000518727964 927458014 /nfs/dbraw/zinc/45/80/14/927458014.db2.gz ITGKBCKGBKGMLT-OALUTQOASA-N 0 0 421.856 4.101 20 5 HIBDRN Cc1nc(CCC(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)oc1-c1ccccc1 ZINC000518815969 927510790 /nfs/dbraw/zinc/51/07/90/927510790.db2.gz DIWXDOPHEDONCX-UHFFFAOYSA-N 0 0 417.425 4.315 20 5 HIBDRN COc1ccc2ccccc2c1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518822334 927520544 /nfs/dbraw/zinc/52/05/44/927520544.db2.gz KUHVECNAUGXJMY-ZDUSSCGKSA-N 0 0 414.845 4.494 20 5 HIBDRN Cc1cc(C)n2ncc(-c3noc([C@H](C)Oc4ccc(Cl)cc4[N+](=O)[O-])n3)c2n1 ZINC000518877133 927590771 /nfs/dbraw/zinc/59/07/71/927590771.db2.gz YTAANBLAXAOGQH-NSHDSACASA-N 0 0 414.809 4.098 20 5 HIBDRN O=C(Nc1ccc(Cc2nnc3ccccn32)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000518896761 927607375 /nfs/dbraw/zinc/60/73/75/927607375.db2.gz HOFRIYKYLIWOSP-UHFFFAOYSA-N 0 0 407.817 4.134 20 5 HIBDRN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000518905345 927615886 /nfs/dbraw/zinc/61/58/86/927615886.db2.gz SQLUMPRHGXXNOX-UHFFFAOYSA-N 0 0 411.849 4.485 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)c1 ZINC000519035602 927713481 /nfs/dbraw/zinc/71/34/81/927713481.db2.gz AMDTUVCVVPERHZ-CQSZACIVSA-N 0 0 409.446 4.094 20 5 HIBDRN COc1ccc(CC(=O)NC(C)(C)c2ccc(OCC(C)C)cc2)cc1[N+](=O)[O-] ZINC000519047485 927723170 /nfs/dbraw/zinc/72/31/70/927723170.db2.gz XMFPHKPWVRUQCL-UHFFFAOYSA-N 0 0 400.475 4.232 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(-c4c[nH]cn4)cc3)cc2[N+](=O)[O-])C1 ZINC000519061319 927737611 /nfs/dbraw/zinc/73/76/11/927737611.db2.gz VPRZLEXFPYMTIG-OAHLLOKOSA-N 0 0 405.458 4.474 20 5 HIBDRN C[C@@H](C(=O)Nc1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC000519063183 927740635 /nfs/dbraw/zinc/74/06/35/927740635.db2.gz CZWVWSDZVAQJLO-SNVBAGLBSA-N 0 0 405.336 4.141 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000519066315 927744265 /nfs/dbraw/zinc/74/42/65/927744265.db2.gz HZOBTDWYNIAXAP-UHFFFAOYSA-N 0 0 421.478 4.181 20 5 HIBDRN O=[N+]([O-])c1ccc(OCCSc2nnc(-c3ccc(OC(F)F)cc3)o2)cc1 ZINC000519104361 927774229 /nfs/dbraw/zinc/77/42/29/927774229.db2.gz MFVXVZJKJPPIAV-UHFFFAOYSA-N 0 0 409.370 4.417 20 5 HIBDRN CCNc1ccc(C(=O)N[C@@H](C)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000519119643 927786289 /nfs/dbraw/zinc/78/62/89/927786289.db2.gz DPJTUPLOJCLJBF-LBPRGKRZSA-N 0 0 406.280 4.150 20 5 HIBDRN C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000519122149 927788358 /nfs/dbraw/zinc/78/83/58/927788358.db2.gz CDEPNOHTIYICHQ-LLVKDONJSA-N 0 0 403.232 4.465 20 5 HIBDRN COCc1cccc2sc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc21 ZINC000519134007 927798317 /nfs/dbraw/zinc/79/83/17/927798317.db2.gz NYLKAPVLYMKPNZ-UHFFFAOYSA-N 0 0 412.471 4.203 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1Br)NCc1ccccc1[N+](=O)[O-] ZINC000519160008 927807036 /nfs/dbraw/zinc/80/70/36/927807036.db2.gz XIGVNYVDXBHZCE-UHFFFAOYSA-N 0 0 413.655 4.096 20 5 HIBDRN COc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000519882787 928115444 /nfs/dbraw/zinc/11/54/44/928115444.db2.gz ZBWYOTJSPFZSAG-UHFFFAOYSA-N 0 0 416.455 4.209 20 5 HIBDRN Cc1cc(F)ccc1N(Cc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000519883642 928116907 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938847032 /nfs/dbraw/zinc/84/70/32/938847032.db2.gz FSQGWYTVJWYOJA-UHFFFAOYSA-N 0 0 404.488 4.303 20 5 HIBDRN CN(C(=O)c1cc(=O)[nH]c2ccc(F)cc21)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539354064 938847083 /nfs/dbraw/zinc/84/70/83/938847083.db2.gz JNSYQAOMLPVPBB-UHFFFAOYSA-N 0 0 424.413 4.388 20 5 HIBDRN COc1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)cc(OC)c1Br ZINC000539413110 938856876 /nfs/dbraw/zinc/85/68/76/938856876.db2.gz KBBLZMCMDSCCGG-UHFFFAOYSA-N 0 0 420.219 4.108 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000539476935 938866159 /nfs/dbraw/zinc/86/61/59/938866159.db2.gz YVQGLHLKIPTZKK-XOBRGWDASA-N 0 0 401.438 4.184 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000539502690 938869449 /nfs/dbraw/zinc/86/94/49/938869449.db2.gz MTCYRMKDAQFZAU-UHFFFAOYSA-N 0 0 422.485 4.153 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])n2)cc1 ZINC000539529849 938873970 /nfs/dbraw/zinc/87/39/70/938873970.db2.gz CQYZVLOSWJTPIL-HNNXBMFYSA-N 0 0 424.457 4.162 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000563526408 945211640 /nfs/dbraw/zinc/21/16/40/945211640.db2.gz VYMZEHBBLSUYSB-UHFFFAOYSA-N 0 0 412.877 4.148 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000539538865 938875866 /nfs/dbraw/zinc/87/58/66/938875866.db2.gz XCTRUMAQRYSQKB-HIFRSBDPSA-N 0 0 405.907 4.124 20 5 HIBDRN Cc1cc(N[C@@H](CO)c2cccc(Br)c2)c2cccc([N+](=O)[O-])c2n1 ZINC000539550866 938878950 /nfs/dbraw/zinc/87/89/50/938878950.db2.gz LFCRUCXXPAOFDO-INIZCTEOSA-N 0 0 402.248 4.359 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000539557353 938879570 /nfs/dbraw/zinc/87/95/70/938879570.db2.gz PBHVFMGVWLOYIU-HIFRSBDPSA-N 0 0 417.487 4.079 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000539593963 938885039 /nfs/dbraw/zinc/88/50/39/938885039.db2.gz CGMNGXAHNFJNBT-UHFFFAOYSA-N 0 0 422.528 4.451 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000539630755 938890706 /nfs/dbraw/zinc/89/07/06/938890706.db2.gz ZULVNHQMMPKPSA-UHFFFAOYSA-N 0 0 411.487 4.379 20 5 HIBDRN COc1ccc(C2(C(=O)N3CCCc4c([N+](=O)[O-])cccc43)CCCC2)cc1OC ZINC000539667881 938897538 /nfs/dbraw/zinc/89/75/38/938897538.db2.gz ZZESTKHCLCRMOV-UHFFFAOYSA-N 0 0 410.470 4.403 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000539671227 938898379 /nfs/dbraw/zinc/89/83/79/938898379.db2.gz DPBPGNQOUIIZFV-UHFFFAOYSA-N 0 0 402.451 4.432 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc1SC ZINC000539692550 938903430 /nfs/dbraw/zinc/90/34/30/938903430.db2.gz ZHJSMRNCSGOCQR-CQSZACIVSA-N 0 0 406.435 4.108 20 5 HIBDRN CC[C@H](c1nnc(NCc2cc(OC)c(O)cc2[N+](=O)[O-])s1)c1ccccc1 ZINC000539693704 938904251 /nfs/dbraw/zinc/90/42/51/938904251.db2.gz WNSMXYMPANCQIN-AWEZNQCLSA-N 0 0 400.460 4.315 20 5 HIBDRN CC[C@H](C)Oc1cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)ccn1 ZINC000539720341 938912119 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CCc1noc(-c2ccc(CCNC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)cc2)n1 ZINC000539889730 938967486 /nfs/dbraw/zinc/96/74/86/938967486.db2.gz KOZYSRSCSOWTBN-UHFFFAOYSA-N 0 0 408.458 4.105 20 5 HIBDRN COc1ccccc1COC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000539904324 938974792 /nfs/dbraw/zinc/97/47/92/938974792.db2.gz TYIIEHZDSIKMOH-UHFFFAOYSA-N 0 0 404.850 4.078 20 5 HIBDRN C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000539939714 938979578 /nfs/dbraw/zinc/97/95/78/938979578.db2.gz BPWBOGSRMJBEQP-SMDDNHRTSA-N 0 0 408.813 4.221 20 5 HIBDRN COc1ccc(Cc2nnc(Sc3ccc([N+](=O)[O-])c(OC(F)F)c3)o2)cc1 ZINC000539994503 939032441 /nfs/dbraw/zinc/03/24/41/939032441.db2.gz KUEWDSMUUSTKET-UHFFFAOYSA-N 0 0 409.370 4.330 20 5 HIBDRN COc1ccc(-c2cncc(-c3nc(Cc4ccc([N+](=O)[O-])c(OC)c4)no3)c2)cc1 ZINC000563577439 945222423 /nfs/dbraw/zinc/22/24/23/945222423.db2.gz AIMCRCGBDNZFOS-UHFFFAOYSA-N 0 0 418.409 4.315 20 5 HIBDRN Cc1c(Br)cc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] 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408.462 4.463 20 5 HIBDRN COc1ccc([C@@H](OC)[C@H](C)Nc2ncc([N+](=O)[O-])c(C)c2Br)cc1 ZINC000541576110 939559075 /nfs/dbraw/zinc/55/90/75/939559075.db2.gz WJDHQTAIHHTLHV-ZBEGNZNMSA-N 0 0 410.268 4.257 20 5 HIBDRN COc1cc(Nc2ncnc3cccc([N+](=O)[O-])c32)cc(OC)c1Br ZINC000541578923 939559714 /nfs/dbraw/zinc/55/97/14/939559714.db2.gz ROKDQFWKEYLDQO-UHFFFAOYSA-N 0 0 405.208 4.061 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)[C@@H](C)CO2)c1 ZINC000541581689 939560065 /nfs/dbraw/zinc/56/00/65/939560065.db2.gz BKBHFSBZKDQYGH-MRUHUIDDSA-N 0 0 400.450 4.443 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541581469 939560068 /nfs/dbraw/zinc/56/00/68/939560068.db2.gz BLEBBXKCJCOZPB-ZDUSSCGKSA-N 0 0 402.422 4.360 20 5 HIBDRN Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000541584606 939560688 /nfs/dbraw/zinc/56/06/88/939560688.db2.gz LCQMILYEONDYQD-MGPUTAFESA-N 0 0 416.449 4.345 20 5 HIBDRN 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/nfs/dbraw/zinc/83/43/00/939834300.db2.gz KGFYOTYFTGNICJ-LBPRGKRZSA-N 0 0 402.252 4.420 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542510347 939834800 /nfs/dbraw/zinc/83/48/00/939834800.db2.gz JMKHYVFGEMPHLV-BZUAXINKSA-N 0 0 415.465 4.085 20 5 HIBDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000542514544 939835735 /nfs/dbraw/zinc/83/57/35/939835735.db2.gz GXJWRURBJGFTEZ-SNVBAGLBSA-N 0 0 410.352 4.455 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc2c1CN(c1ccccn1)C2)c1ccc([N+](=O)[O-])cc1F ZINC000542526469 939837289 /nfs/dbraw/zinc/83/72/89/939837289.db2.gz AXPXOTDSBUVUHL-CQSZACIVSA-N 0 0 406.417 4.391 20 5 HIBDRN C[C@H](C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1ccc([N+](=O)[O-])cc1F ZINC000542529259 939837943 /nfs/dbraw/zinc/83/79/43/939837943.db2.gz UUKHDJKTZYJMDD-LBPRGKRZSA-N 0 0 405.389 4.414 20 5 HIBDRN COC(=O)[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc2ccccc2c1 ZINC000542529867 939838146 /nfs/dbraw/zinc/83/81/46/939838146.db2.gz WEUNLQLZNATIRG-XCLFUZPHSA-N 0 0 410.401 4.021 20 5 HIBDRN C[C@H](C(=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000542530406 939838291 /nfs/dbraw/zinc/83/82/91/939838291.db2.gz ADRRVCAZVLKYIW-YCRPNKLZSA-N 0 0 421.428 4.334 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000542542402 939840918 /nfs/dbraw/zinc/84/09/18/939840918.db2.gz UDOMMNTURGUUTL-ZBFHGGJFSA-N 0 0 402.422 4.424 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(OCC2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542550200 939842192 /nfs/dbraw/zinc/84/21/92/939842192.db2.gz HGFKLAXJHSRLSZ-CQSZACIVSA-N 0 0 402.422 4.282 20 5 HIBDRN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000542566935 939844618 /nfs/dbraw/zinc/84/46/18/939844618.db2.gz OUYAPBQERNNOKM-RDJZCZTQSA-N 0 0 423.238 4.147 20 5 HIBDRN COC(=O)c1sc(NC(=O)CSc2ccccc2[N+](=O)[O-])nc1C1CCCC1 ZINC000542577378 939845647 /nfs/dbraw/zinc/84/56/47/939845647.db2.gz HOYCLDMPWVHHEN-UHFFFAOYSA-N 0 0 421.500 4.226 20 5 HIBDRN CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542586827 939846539 /nfs/dbraw/zinc/84/65/39/939846539.db2.gz HSHRHULLNQODNA-DYESRHJHSA-N 0 0 411.433 4.136 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000542589821 939846960 /nfs/dbraw/zinc/84/69/60/939846960.db2.gz HROGNRZLNXGFQV-DNVCBOLYSA-N 0 0 404.463 4.448 20 5 HIBDRN C[C@H](C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542600569 939847608 /nfs/dbraw/zinc/84/76/08/939847608.db2.gz KPQOQRLIVQEESF-UONOGXRCSA-N 0 0 405.857 4.276 20 5 HIBDRN O=C(NCc1nccn1C(F)F)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542620919 939849454 /nfs/dbraw/zinc/84/94/54/939849454.db2.gz XCFVZRYBJLIDCZ-UHFFFAOYSA-N 0 0 410.446 4.399 20 5 HIBDRN Cc1ccc([C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000542679070 939853606 /nfs/dbraw/zinc/85/36/06/939853606.db2.gz OWABCTFZPUAQHJ-JOCHJYFZSA-N 0 0 410.495 4.056 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)c2ccncc2)cc1OC ZINC000542778044 939860439 /nfs/dbraw/zinc/86/04/39/939860439.db2.gz MEOIEZYCDIFDGH-UHFFFAOYSA-N 0 0 407.426 4.244 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000542794008 939860830 /nfs/dbraw/zinc/86/08/30/939860830.db2.gz INIAJJXDHDINAU-ZDUSSCGKSA-N 0 0 406.426 4.280 20 5 HIBDRN Cc1ccc(Cc2nnc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)s2)cc1 ZINC000542859316 939863722 /nfs/dbraw/zinc/86/37/22/939863722.db2.gz MBAXQILTEUVUGK-UHFFFAOYSA-N 0 0 420.397 4.199 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc(-c3cccnc3)n2-c2ccccc2)n1 ZINC000542864544 939864003 /nfs/dbraw/zinc/86/40/03/939864003.db2.gz AEKUNOOEKXWVFG-UHFFFAOYSA-N 0 0 404.455 4.401 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000542890529 939865721 /nfs/dbraw/zinc/86/57/21/939865721.db2.gz QHVWYDQGCARSDH-CQSZACIVSA-N 0 0 412.776 4.143 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCCCCc2nc(-c3cccnc3)cs2)c1 ZINC000542976291 939890024 /nfs/dbraw/zinc/89/00/24/939890024.db2.gz QNALFYRBIUCYFJ-UHFFFAOYSA-N 0 0 412.471 4.335 20 5 HIBDRN COc1cc(OCC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000542979384 939890608 /nfs/dbraw/zinc/89/06/08/939890608.db2.gz XFPPOZFOJFMLLY-UHFFFAOYSA-N 0 0 410.373 4.076 20 5 HIBDRN CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000542987249 939891745 /nfs/dbraw/zinc/89/17/45/939891745.db2.gz VLQNGIFRTNDLAI-UHFFFAOYSA-N 0 0 401.728 4.478 20 5 HIBDRN Cc1c(CC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000542993751 939892766 /nfs/dbraw/zinc/89/27/66/939892766.db2.gz GORLMKRPLAGSRP-SFHVURJKSA-N 0 0 408.376 4.065 20 5 HIBDRN CS(=O)(=O)c1ccc(Oc2ccc(-n3ncc4ccccc43)cc2)c([N+](=O)[O-])c1 ZINC000543048286 939909583 /nfs/dbraw/zinc/90/95/83/939909583.db2.gz YDRSEAZMBWIIKK-UHFFFAOYSA-N 0 0 409.423 4.130 20 5 HIBDRN CN(C(=O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000543052942 939910552 /nfs/dbraw/zinc/91/05/52/939910552.db2.gz RKRGDNCSABBXJZ-NRFANRHFSA-N 0 0 424.888 4.180 20 5 HIBDRN COC(=O)[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000543087460 939935140 /nfs/dbraw/zinc/93/51/40/939935140.db2.gz SIGLELYBIMCGNE-IBGZPJMESA-N 0 0 410.451 4.114 20 5 HIBDRN C[C@@H](O)C[C@@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000543098341 939943444 /nfs/dbraw/zinc/94/34/44/939943444.db2.gz MSPPZKFMVMMPHX-VXGBXAGGSA-N 0 0 417.512 4.245 20 5 HIBDRN C/C(=C/c1nc(-c2ccc(CN3CCOCC3)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000543117513 939954302 /nfs/dbraw/zinc/95/43/02/939954302.db2.gz JVEVSQQIIVCYRP-PEZBUJJGSA-N 0 0 406.442 4.038 20 5 HIBDRN CC(C)CCOC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000543164458 939982531 /nfs/dbraw/zinc/98/25/31/939982531.db2.gz PBNNVCHYNYHGEL-UHFFFAOYSA-N 0 0 400.928 4.394 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000543172496 939984602 /nfs/dbraw/zinc/98/46/02/939984602.db2.gz HQFHWETUJVFMIS-HNNXBMFYSA-N 0 0 406.442 4.226 20 5 HIBDRN COc1cccc([C@@H]2C[C@@H](C)CN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000543171231 939984660 /nfs/dbraw/zinc/98/46/60/939984660.db2.gz VWNAWDYEDZSVGW-WBMJQRKESA-N 0 0 410.879 4.029 20 5 HIBDRN C[C@@H]1OCC[C@@]1(C)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000543181793 939988697 /nfs/dbraw/zinc/98/86/97/939988697.db2.gz KUQRKAFPHUKUSN-RNODOKPDSA-N 0 0 403.866 4.158 20 5 HIBDRN CC(=O)NC1CCC(N(C)C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000543215490 939997752 /nfs/dbraw/zinc/99/77/52/939997752.db2.gz QXDNKRZTNYDHQW-UHFFFAOYSA-N 0 0 421.563 4.252 20 5 HIBDRN Cc1ccnn1-c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543225082 940000672 /nfs/dbraw/zinc/00/06/72/940000672.db2.gz MKHASXMTYBJKNE-ZDUSSCGKSA-N 0 0 400.822 4.148 20 5 HIBDRN Cc1cccc([C@@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C2)c1 ZINC000543246470 940007711 /nfs/dbraw/zinc/00/77/11/940007711.db2.gz LRGZRGJXQZWSRK-OAHLLOKOSA-N 0 0 418.291 4.094 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](c3cccc(C)c3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000543254480 940009530 /nfs/dbraw/zinc/00/95/30/940009530.db2.gz YVECYCLRNRETET-AWEZNQCLSA-N 0 0 406.385 4.143 20 5 HIBDRN Cc1cc(C)n(-c2ccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cn2)n1 ZINC000543257605 940011078 /nfs/dbraw/zinc/01/10/78/940011078.db2.gz QKZPUVFYXQJNHD-UHFFFAOYSA-N 0 0 417.878 4.177 20 5 HIBDRN Cc1cccc2[nH]cc(CCNC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])c21 ZINC000543286301 940018728 /nfs/dbraw/zinc/01/87/28/940018728.db2.gz NYVGLRSZCKFCTQ-UHFFFAOYSA-N 0 0 403.891 4.489 20 5 HIBDRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)c2[nH]nc(C)c2[N+](=O)[O-])c1 ZINC000543304996 940023896 /nfs/dbraw/zinc/02/38/96/940023896.db2.gz VVCWQAYLPRRGAX-GHTZIAJQSA-N 0 0 406.442 4.006 20 5 HIBDRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000543308570 940025088 /nfs/dbraw/zinc/02/50/88/940025088.db2.gz TUSBZFOQWONHNI-IRLDBZIGSA-N 0 0 403.438 4.369 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000543326785 940032110 /nfs/dbraw/zinc/03/21/10/940032110.db2.gz QAROURLGPXOPTO-UHFFFAOYSA-N 0 0 417.315 4.005 20 5 HIBDRN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543331153 940033243 /nfs/dbraw/zinc/03/32/43/940033243.db2.gz NFJPBRZRGFKKSJ-LLVKDONJSA-N 0 0 410.854 4.257 20 5 HIBDRN O=C(NCC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000543338533 940035634 /nfs/dbraw/zinc/03/56/34/940035634.db2.gz JJNSQTZDILAORE-AWEZNQCLSA-N 0 0 403.866 4.017 20 5 HIBDRN Cc1cccc(NC2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)CC2)c1 ZINC000543435026 940063400 /nfs/dbraw/zinc/06/34/00/940063400.db2.gz ASUUVRNCKBSSCM-UHFFFAOYSA-N 0 0 405.296 4.450 20 5 HIBDRN CN(CCOc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000543444246 940065681 /nfs/dbraw/zinc/06/56/81/940065681.db2.gz IYRMGLZIQMISTM-UHFFFAOYSA-N 0 0 401.316 4.295 20 5 HIBDRN COc1ccc(-c2nnc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)s2)cc1 ZINC000543454507 940067543 /nfs/dbraw/zinc/06/75/43/940067543.db2.gz JFBANIRZKNFACW-JTQLQIEISA-N 0 0 402.407 4.003 20 5 HIBDRN COc1ccc(-c2nnc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)s2)cc1 ZINC000543454512 940067686 /nfs/dbraw/zinc/06/76/86/940067686.db2.gz JFBANIRZKNFACW-SNVBAGLBSA-N 0 0 402.407 4.003 20 5 HIBDRN C[C@H](C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000543466022 940073380 /nfs/dbraw/zinc/07/33/80/940073380.db2.gz PKZVNARNYXSFGC-KSSFIOAISA-N 0 0 404.413 4.184 20 5 HIBDRN NC(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cc1 ZINC000543472239 940075242 /nfs/dbraw/zinc/07/52/42/940075242.db2.gz TXKOJXPPIYEQHO-UHFFFAOYSA-N 0 0 413.499 4.157 20 5 HIBDRN CO[C@H](C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000543482775 940079088 /nfs/dbraw/zinc/07/90/88/940079088.db2.gz RFIJPZXTADFVMY-NRFANRHFSA-N 0 0 418.409 4.367 20 5 HIBDRN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000543497922 940085634 /nfs/dbraw/zinc/08/56/34/940085634.db2.gz WMWZPKYQDQZGSR-SNVBAGLBSA-N 0 0 422.816 4.403 20 5 HIBDRN C[C@H](C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543528712 940096322 /nfs/dbraw/zinc/09/63/22/940096322.db2.gz NCLKZKBYCWLRTH-ZFWWWQNUSA-N 0 0 402.397 4.098 20 5 HIBDRN Cn1ncc2c1CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543540117 940099326 /nfs/dbraw/zinc/09/93/26/940099326.db2.gz ROXDROXBQBLVMH-GOSISDBHSA-N 0 0 414.531 4.418 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000543541228 940099589 /nfs/dbraw/zinc/09/95/89/940099589.db2.gz OOVVQCYCSKRWMF-HUUCEWRRSA-N 0 0 423.473 4.193 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543586725 940120177 /nfs/dbraw/zinc/12/01/77/940120177.db2.gz ALQXPVLDKVODRG-IUODEOHRSA-N 0 0 405.401 4.206 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCc2cccs2)CC1 ZINC000543618562 940134669 /nfs/dbraw/zinc/13/46/69/940134669.db2.gz QWQOGLUVOFYZML-UHFFFAOYSA-N 0 0 419.572 4.157 20 5 HIBDRN O=C(NCc1cccc(Cn2cnc3ccccc32)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000543639158 940145661 /nfs/dbraw/zinc/14/56/61/940145661.db2.gz FDALIYJUIFHEFK-UHFFFAOYSA-N 0 0 419.416 4.454 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000543691134 940160773 /nfs/dbraw/zinc/16/07/73/940160773.db2.gz DKQVBYZPZGZTOS-UHFFFAOYSA-N 0 0 406.267 4.052 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ncc(Br)cc1Br ZINC000543693373 940161556 /nfs/dbraw/zinc/16/15/56/940161556.db2.gz FROQEAGBTADJNH-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000543837802 940204855 /nfs/dbraw/zinc/20/48/55/940204855.db2.gz AWYKOHHRQNGSEB-GOSISDBHSA-N 0 0 419.359 4.309 20 5 HIBDRN CC(C)(C)c1noc(CCCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1 ZINC000543853744 940210184 /nfs/dbraw/zinc/21/01/84/940210184.db2.gz OGPLKCMXPCWSMD-UHFFFAOYSA-N 0 0 400.357 4.256 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(Oc3cccc(OC)c3)nc2)c1 ZINC000543900936 940232887 /nfs/dbraw/zinc/23/28/87/940232887.db2.gz QPSLQDIACQBUQI-UHFFFAOYSA-N 0 0 409.398 4.189 20 5 HIBDRN CCN(CC)C(=O)CCC1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000543908560 940238088 /nfs/dbraw/zinc/23/80/88/940238088.db2.gz RRUHWNBASPVTPN-KRWDZBQOSA-N 0 0 418.538 4.034 20 5 HIBDRN COc1ccc(-c2nn(CCOc3ccccc3[N+](=O)[O-])c(=O)c3ccccc32)cc1 ZINC000543911054 940239275 /nfs/dbraw/zinc/23/92/75/940239275.db2.gz NHTXKFIIVUSGRD-UHFFFAOYSA-N 0 0 417.421 4.059 20 5 HIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543919448 940246305 /nfs/dbraw/zinc/24/63/05/940246305.db2.gz JAGYJAGHVHXDRR-MRXNPFEDSA-N 0 0 414.767 4.481 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000543976171 940281221 /nfs/dbraw/zinc/28/12/21/940281221.db2.gz ICGWTMIWIIKZSZ-UHFFFAOYSA-N 0 0 417.512 4.148 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCCCCOC(C)C)cc2[N+](=O)[O-])n1 ZINC000544019424 940301375 /nfs/dbraw/zinc/30/13/75/940301375.db2.gz NXTNMJGLEBOSIF-UHFFFAOYSA-N 0 0 409.533 4.446 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCCc3c([nH]c4c3cccc4F)C2)c(Br)c1 ZINC000544019105 940301701 /nfs/dbraw/zinc/30/17/01/940301701.db2.gz QDAGNYABFCVFFE-UHFFFAOYSA-N 0 0 405.227 4.326 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000544032662 940305490 /nfs/dbraw/zinc/30/54/90/940305490.db2.gz GPQJMNUCEPEIBG-UHFFFAOYSA-N 0 0 411.487 4.391 20 5 HIBDRN Cc1nn(CCC(=O)N2CCCCC[C@H]2/C=C\c2cccs2)c(C)c1[N+](=O)[O-] ZINC000544041000 940307711 /nfs/dbraw/zinc/30/77/11/940307711.db2.gz TXTLUEMQYOHLTH-IBSYWUHOSA-N 0 0 402.520 4.344 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 ZINC000544072341 940317751 /nfs/dbraw/zinc/31/77/51/940317751.db2.gz UUJFYNWBSCUDTC-OAQYLSRUSA-N 0 0 413.499 4.077 20 5 HIBDRN COc1cc(F)c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000544074290 940318226 /nfs/dbraw/zinc/31/82/26/940318226.db2.gz KVICEOLTSYLKRL-UHFFFAOYSA-N 0 0 400.815 4.135 20 5 HIBDRN C[C@H](Cc1ccccc1Br)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544087482 940323017 /nfs/dbraw/zinc/32/30/17/940323017.db2.gz NMYDVRSBWBROIL-GFCCVEGCSA-N 0 0 409.305 4.197 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000544089946 940323355 /nfs/dbraw/zinc/32/33/55/940323355.db2.gz CQTBVMWMACLBRW-CQSZACIVSA-N 0 0 417.556 4.428 20 5 HIBDRN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000544110039 940329000 /nfs/dbraw/zinc/32/90/00/940329000.db2.gz HTHAATBSPGWEKB-GOSISDBHSA-N 0 0 404.470 4.242 20 5 HIBDRN O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(CCC2CCCCC2)no1 ZINC000544164904 940341320 /nfs/dbraw/zinc/34/13/20/940341320.db2.gz XBVOGZFGYVMGHU-UHFFFAOYSA-N 0 0 400.435 4.031 20 5 HIBDRN CNc1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000544296851 940382654 /nfs/dbraw/zinc/38/26/54/940382654.db2.gz VHRGKCOAQLIJSV-LBPRGKRZSA-N 0 0 410.293 4.438 20 5 HIBDRN CN1CC[C@@H](c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)c2ccccc21 ZINC000544297205 940382853 /nfs/dbraw/zinc/38/28/53/940382853.db2.gz MIVWCFJNOPAVMZ-OAHLLOKOSA-N 0 0 415.247 4.379 20 5 HIBDRN CC(C)n1nnnc1-c1ccccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000544303593 940384976 /nfs/dbraw/zinc/38/49/76/940384976.db2.gz QDBKWDMGYYEZHH-UHFFFAOYSA-N 0 0 421.461 4.026 20 5 HIBDRN Cc1cc(N2CC[C@@H](n3cnc4ccccc43)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000544392840 940410527 /nfs/dbraw/zinc/41/05/27/940410527.db2.gz BORYIXNNGPHQDG-GOSISDBHSA-N 0 0 400.442 4.161 20 5 HIBDRN Cc1c(Br)c(N(C)Cc2nc(-c3ccccc3)c[nH]2)ncc1[N+](=O)[O-] ZINC000544394661 940410859 /nfs/dbraw/zinc/41/08/59/940410859.db2.gz ODQWWTZCTRAIMT-UHFFFAOYSA-N 0 0 402.252 4.087 20 5 HIBDRN O=C(Nc1cccc(-n2cnnn2)c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000544402150 940412848 /nfs/dbraw/zinc/41/28/48/940412848.db2.gz FSDVZHJKHSSMCM-UHFFFAOYSA-N 0 0 424.486 4.105 20 5 HIBDRN Cc1c(Br)c(N[C@H](C)c2cccc(N3CCCC3=O)c2)ncc1[N+](=O)[O-] ZINC000544409824 940416289 /nfs/dbraw/zinc/41/62/89/940416289.db2.gz RQFXSRITYRIPIA-GFCCVEGCSA-N 0 0 419.279 4.361 20 5 HIBDRN C[C@H](C(=O)N(C)Cc1csc(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544430102 940426953 /nfs/dbraw/zinc/42/69/53/940426953.db2.gz KFTKEPHJNUDBSU-VIFPVBQESA-N 0 0 401.257 4.320 20 5 HIBDRN Cc1cc(C)n(-c2ccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cc2F)n1 ZINC000544432687 940428139 /nfs/dbraw/zinc/42/81/39/940428139.db2.gz AJOXMMRMUSTGPG-ZDUSSCGKSA-N 0 0 400.385 4.418 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(Cc2nnc3ccccn32)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000544442781 940432758 /nfs/dbraw/zinc/43/27/58/940432758.db2.gz BDTGGPPUVMOHHI-AWEZNQCLSA-N 0 0 419.416 4.110 20 5 HIBDRN O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000544503185 940458483 /nfs/dbraw/zinc/45/84/83/940458483.db2.gz GBMYKZNEHIUJDC-UHFFFAOYSA-N 0 0 424.486 4.310 20 5 HIBDRN CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cn1 ZINC000544508177 940460605 /nfs/dbraw/zinc/46/06/05/940460605.db2.gz ZBFQMEXIFOZPAG-UHFFFAOYSA-N 0 0 414.531 4.268 20 5 HIBDRN C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1noc(Cc2ccccc2)n1 ZINC000544513036 940463892 /nfs/dbraw/zinc/46/38/92/940463892.db2.gz OTARUPBTWDIMOJ-AWEZNQCLSA-N 0 0 405.414 4.074 20 5 HIBDRN C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2cccc(F)c2)no1 ZINC000544520622 940470531 /nfs/dbraw/zinc/47/05/31/940470531.db2.gz WHGDDLJLDBXDQA-CYBMUJFWSA-N 0 0 423.404 4.332 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(-c2cccc(OCc3cccnc3)c2)n1 ZINC000544537681 940474531 /nfs/dbraw/zinc/47/45/31/940474531.db2.gz KDCZTKVKYXBZHR-UHFFFAOYSA-N 0 0 417.425 4.273 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCc1nc(-c2ccc(OCc3ccccc3)nc2)no1 ZINC000544545324 940476325 /nfs/dbraw/zinc/47/63/25/940476325.db2.gz SDPDHVWZWOIQGR-UHFFFAOYSA-N 0 0 404.382 4.198 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(-c2cc(Cl)c3c(c2)OCCCO3)n1 ZINC000544552111 940477494 /nfs/dbraw/zinc/47/74/94/940477494.db2.gz YGQQLBNJBISBBC-UHFFFAOYSA-N 0 0 416.821 4.114 20 5 HIBDRN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000544551565 940477679 /nfs/dbraw/zinc/47/76/79/940477679.db2.gz CDHMZTNJQSCUDS-PZJWPPBQSA-N 0 0 412.511 4.265 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000544622898 940492583 /nfs/dbraw/zinc/49/25/83/940492583.db2.gz YRLWUUQTYFCEPV-CQSZACIVSA-N 0 0 416.457 4.311 20 5 HIBDRN CCC(C)(C)OCc1ccccc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000544640704 940496808 /nfs/dbraw/zinc/49/68/08/940496808.db2.gz BRRBOSGAATZQLV-UHFFFAOYSA-N 0 0 401.463 4.359 20 5 HIBDRN Cc1nc(C(F)(F)F)c(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)s1 ZINC000544696438 940503983 /nfs/dbraw/zinc/50/39/83/940503983.db2.gz ARDVANHZQUGYAZ-UHFFFAOYSA-N 0 0 412.436 4.074 20 5 HIBDRN COC(=O)c1cc(N2CCC(c3noc4cc(F)ccc43)CC2)cc(C)c1[N+](=O)[O-] ZINC000563923978 945327103 /nfs/dbraw/zinc/32/71/03/945327103.db2.gz QPKLRMFHJVIVJH-UHFFFAOYSA-N 0 0 413.405 4.354 20 5 HIBDRN CC(C)[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000544724731 940507847 /nfs/dbraw/zinc/50/78/47/940507847.db2.gz DOFNZFRHFSHSFB-QGZVFWFLSA-N 0 0 400.859 4.204 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000544726522 940507892 /nfs/dbraw/zinc/50/78/92/940507892.db2.gz UQNCSWZGWKQYFU-AWEZNQCLSA-N 0 0 401.271 4.009 20 5 HIBDRN CC(C)[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000544724730 940507932 /nfs/dbraw/zinc/50/79/32/940507932.db2.gz DOFNZFRHFSHSFB-KRWDZBQOSA-N 0 0 400.859 4.204 20 5 HIBDRN CCCCn1ccnc1-c1cccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000544741867 940509830 /nfs/dbraw/zinc/50/98/30/940509830.db2.gz AOFGXZAVAUDQED-UHFFFAOYSA-N 0 0 414.487 4.200 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)n1 ZINC000544774134 940512675 /nfs/dbraw/zinc/51/26/75/940512675.db2.gz PJVBWSROJGTFKL-LLVKDONJSA-N 0 0 419.363 4.343 20 5 HIBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1 ZINC000544786857 940513998 /nfs/dbraw/zinc/51/39/98/940513998.db2.gz UKRUGKVPDZSCGE-UHFFFAOYSA-N 0 0 408.805 4.021 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc3c(c2)nc2n(c3=O)CCCCC2)n1 ZINC000544795394 940514876 /nfs/dbraw/zinc/51/48/76/940514876.db2.gz KUYFNRJHYIWQIK-UHFFFAOYSA-N 0 0 417.425 4.057 20 5 HIBDRN CCN1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2C1 ZINC000544813487 940516582 /nfs/dbraw/zinc/51/65/82/940516582.db2.gz VMXCFWMTDJRDDS-INIZCTEOSA-N 0 0 418.497 4.320 20 5 HIBDRN C[C@H](SCC(=O)Nc1ccc(F)cc1)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000544907221 940523768 /nfs/dbraw/zinc/52/37/68/940523768.db2.gz UIRSVFROCRKRHQ-LBPRGKRZSA-N 0 0 416.434 4.141 20 5 HIBDRN C[C@H](Oc1cccc(Br)c1)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000544911361 940524393 /nfs/dbraw/zinc/52/43/93/940524393.db2.gz ARMIQECVIIEHOM-NSHDSACASA-N 0 0 404.220 4.471 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ccc(-n5cccn5)nc4)no3)cs2)cc1 ZINC000544915350 940525012 /nfs/dbraw/zinc/52/50/12/940525012.db2.gz JDOGVAUSOCPTPE-UHFFFAOYSA-N 0 0 417.410 4.016 20 5 HIBDRN CN(C(=O)c1ccc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)cc1)c1ccccc1 ZINC000544930746 940526251 /nfs/dbraw/zinc/52/62/51/940526251.db2.gz XWINJERDCHRDPM-UHFFFAOYSA-N 0 0 415.409 4.171 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1c1nc(-c3ccc(N)c([N+](=O)[O-])c3)no1)O[C@@H](C)C2 ZINC000544931180 940526380 /nfs/dbraw/zinc/52/63/80/940526380.db2.gz DANGNPIIJBMTPP-HZUKXOBISA-N 0 0 422.441 4.220 20 5 HIBDRN Cc1c(NC(=O)N[C@H](C)c2cnn(C(C)C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000563931370 945328667 /nfs/dbraw/zinc/32/86/67/945328667.db2.gz LVEUXUROFFJXEF-LLVKDONJSA-N 0 0 410.272 4.326 20 5 HIBDRN COc1c(-c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)cnc2ccccc21 ZINC000544983516 940530804 /nfs/dbraw/zinc/53/08/04/940530804.db2.gz JFIGGLGNLQJHNP-UHFFFAOYSA-N 0 0 405.414 4.246 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cn3cncn3)cc2)no1 ZINC000544996004 940531799 /nfs/dbraw/zinc/53/17/99/940531799.db2.gz LSBGZLOYNBANLY-ZDUSSCGKSA-N 0 0 408.443 4.138 20 5 HIBDRN Cc1nc2ccc(-c3noc(-c4cc(=O)[nH]c5ccc([N+](=O)[O-])cc54)n3)cc2s1 ZINC000545007992 940533085 /nfs/dbraw/zinc/53/30/85/940533085.db2.gz UUQSBLNMKMHSTO-UHFFFAOYSA-N 0 0 405.395 4.484 20 5 HIBDRN CCC[C@H]1C[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CCO1 ZINC000545008571 940533209 /nfs/dbraw/zinc/53/32/09/940533209.db2.gz INUHSWDHGZZUCF-OCCSQVGLSA-N 0 0 410.268 4.394 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)ccc1NC1CC1 ZINC000545027262 940534906 /nfs/dbraw/zinc/53/49/06/940534906.db2.gz BACBDWZXHUFZDF-UHFFFAOYSA-N 0 0 402.414 4.131 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(Cc3c[nH]c4ccc(F)cc34)no2)ccc1N1CCCC1 ZINC000545032996 940535339 /nfs/dbraw/zinc/53/53/39/940535339.db2.gz YDFUDICBDVSEIB-UHFFFAOYSA-N 0 0 407.405 4.456 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1nc(CCc2ccccc2Br)no1 ZINC000545034545 940535481 /nfs/dbraw/zinc/53/54/81/940535481.db2.gz FTYMDUYWTPBBMR-UHFFFAOYSA-N 0 0 417.263 4.180 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc(C(=O)NCC(C)(C)C)cc3)n2)ccc1[N+](=O)[O-] ZINC000545051326 940537167 /nfs/dbraw/zinc/53/71/67/940537167.db2.gz BDMIZQSXNLBZQC-UHFFFAOYSA-N 0 0 424.457 4.020 20 5 HIBDRN Cc1cc(C)n(-c2ccc(Cc3nc(Cc4cccc([N+](=O)[O-])c4C)no3)cc2)n1 ZINC000545068002 940538661 /nfs/dbraw/zinc/53/86/61/940538661.db2.gz CPUUORLPBWMGGO-UHFFFAOYSA-N 0 0 403.442 4.270 20 5 HIBDRN COc1cc(Cc2noc(-c3cc(Cl)c4c(c3)OCCCO4)n2)ccc1[N+](=O)[O-] ZINC000545072425 940539256 /nfs/dbraw/zinc/53/92/56/940539256.db2.gz DLPZUKJMHGYHIU-UHFFFAOYSA-N 0 0 417.805 4.059 20 5 HIBDRN COc1cc(Cc2noc(-c3cc(-c4ccccc4Cl)[nH]n3)n2)ccc1[N+](=O)[O-] ZINC000545077205 940540060 /nfs/dbraw/zinc/54/00/60/940540060.db2.gz WPXZBJOXCHAIOF-UHFFFAOYSA-N 0 0 411.805 4.288 20 5 HIBDRN COc1cccc(-c2cc(-c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)n[nH]2)c1 ZINC000545079121 940540309 /nfs/dbraw/zinc/54/03/09/940540309.db2.gz IGGLLMOYWCFFPV-UHFFFAOYSA-N 0 0 416.397 4.116 20 5 HIBDRN O=[N+]([O-])c1ccc2c(-c3nc(Cc4ccn(-c5c(F)cccc5F)n4)no3)c[nH]c2c1 ZINC000545118240 940544389 /nfs/dbraw/zinc/54/43/89/940544389.db2.gz NKNOFLIAEBHJHK-UHFFFAOYSA-N 0 0 422.351 4.181 20 5 HIBDRN CN(C)C(=O)c1ccc(Cl)c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000545120196 940544565 /nfs/dbraw/zinc/54/45/65/940544565.db2.gz XVALPCGOWCOOKC-UHFFFAOYSA-N 0 0 407.829 4.005 20 5 HIBDRN CC(C)(C(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc([N+](=O)[O-])cc1F ZINC000545125911 940545585 /nfs/dbraw/zinc/54/55/85/940545585.db2.gz ZBSASBUINVMTCH-UHFFFAOYSA-N 0 0 408.813 4.465 20 5 HIBDRN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCCSCc1ccccc1 ZINC000545133465 940547135 /nfs/dbraw/zinc/54/71/35/940547135.db2.gz UKTNPNHVCGEZED-UHFFFAOYSA-N 0 0 401.513 4.257 20 5 HIBDRN CC(C)(C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000545139479 940548331 /nfs/dbraw/zinc/54/83/31/940548331.db2.gz SVAGSYVTBMAPRA-ROUUACIJSA-N 0 0 406.841 4.311 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]nc(-c3nc(Cc4ccc(Br)c(F)c4)no3)c2c1 ZINC000545142788 940549334 /nfs/dbraw/zinc/54/93/34/940549334.db2.gz SJNNQSIHJBMJII-UHFFFAOYSA-N 0 0 418.182 4.014 20 5 HIBDRN Cc1cc(Cc2noc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)ccc1[N+](=O)[O-] ZINC000545144112 940550128 /nfs/dbraw/zinc/55/01/28/940550128.db2.gz NIGMYQWOZOYWNR-AWEZNQCLSA-N 0 0 412.833 4.051 20 5 HIBDRN CC(C)(C(=O)Nc1nc(-c2cccc(O)c2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000545153532 940551593 /nfs/dbraw/zinc/55/15/93/940551593.db2.gz LQNKWWOAWKDOMR-UHFFFAOYSA-N 0 0 401.419 4.479 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000545199229 940555804 /nfs/dbraw/zinc/55/58/04/940555804.db2.gz KLOXKLIQPQDRKX-KSSFIOAISA-N 0 0 410.392 4.032 20 5 HIBDRN COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1C(F)(F)F ZINC000545224961 940557272 /nfs/dbraw/zinc/55/72/72/940557272.db2.gz KJOMKAVCVVZMPL-HNNXBMFYSA-N 0 0 402.756 4.271 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000545251571 940558676 /nfs/dbraw/zinc/55/86/76/940558676.db2.gz HAQDVCCYDQEOER-UHFFFAOYSA-N 0 0 409.398 4.198 20 5 HIBDRN Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000545315162 940561571 /nfs/dbraw/zinc/56/15/71/940561571.db2.gz AKJNCTCOLDOFNC-UHFFFAOYSA-N 0 0 416.222 4.225 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1cnc2nccnc2c1 ZINC000545341611 940563140 /nfs/dbraw/zinc/56/31/40/940563140.db2.gz YSFMMPSQDVCTKS-UHFFFAOYSA-N 0 0 409.452 4.398 20 5 HIBDRN CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545388673 940567862 /nfs/dbraw/zinc/56/78/62/940567862.db2.gz ZPGOZOYVPDPQGK-UHFFFAOYSA-N 0 0 403.287 4.254 20 5 HIBDRN COc1ccc(-c2nc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)cs2)cc1OC ZINC000545525213 940573161 /nfs/dbraw/zinc/57/31/61/940573161.db2.gz IVUQQOFEXOPVIU-UHFFFAOYSA-N 0 0 410.411 4.453 20 5 HIBDRN Cc1nc(Cc2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cs1 ZINC000545532513 940573613 /nfs/dbraw/zinc/57/36/13/940573613.db2.gz JSIBEXYWKWCELU-UHFFFAOYSA-N 0 0 413.381 4.007 20 5 HIBDRN Nc1ccc(-c2noc([C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000545551068 940574451 /nfs/dbraw/zinc/57/44/51/940574451.db2.gz LAYJDIMMILZYBH-NWDGAFQWSA-N 0 0 406.320 4.397 20 5 HIBDRN Cc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)n2)cc1[N+](=O)[O-] ZINC000545569867 940575159 /nfs/dbraw/zinc/57/51/59/940575159.db2.gz BNZCAELTJJRMEB-INIZCTEOSA-N 0 0 407.430 4.365 20 5 HIBDRN O=C1CCCN1Cc1ccccc1-c1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000545571457 940575210 /nfs/dbraw/zinc/57/52/10/940575210.db2.gz CSXSAMWAHGSPEJ-UHFFFAOYSA-N 0 0 410.455 4.060 20 5 HIBDRN CN(C)C(=O)c1cccc(-c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)c1 ZINC000545572205 940575298 /nfs/dbraw/zinc/57/52/98/940575298.db2.gz ZSHKCOPGTQFFGW-UHFFFAOYSA-N 0 0 406.320 4.032 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1nc(Cc2coc(-c3ccc(F)cc3)n2)no1 ZINC000545595259 940576476 /nfs/dbraw/zinc/57/64/76/940576476.db2.gz CTEIKGKXVLAAKK-UHFFFAOYSA-N 0 0 409.377 4.017 20 5 HIBDRN O=[N+]([O-])c1cccc(OCc2nc(Cc3ccc(OCc4cccnc4)cc3)no2)c1 ZINC000545619664 940577593 /nfs/dbraw/zinc/57/75/93/940577593.db2.gz OEYFWZTVKUCXLF-UHFFFAOYSA-N 0 0 418.409 4.122 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4cccnc4N4CCCCC4)no3)c2c1 ZINC000545621100 940577618 /nfs/dbraw/zinc/57/76/18/940577618.db2.gz DORDXWCZEQTZFN-UHFFFAOYSA-N 0 0 404.430 4.102 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCc1nc(Cc2ccc(OCc3ccncc3)cc2)no1 ZINC000545621794 940577688 /nfs/dbraw/zinc/57/76/88/940577688.db2.gz OMKSKAHDSZLPDW-UHFFFAOYSA-N 0 0 418.409 4.122 20 5 HIBDRN COCc1cccc(-c2noc(CSCc3ccc(OC)c([N+](=O)[O-])c3)n2)c1 ZINC000545635644 940578310 /nfs/dbraw/zinc/57/83/10/940578310.db2.gz SHYUQTAPKUCMMS-UHFFFAOYSA-N 0 0 401.444 4.233 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccnc2-n2cccn2)no1 ZINC000545637764 940578352 /nfs/dbraw/zinc/57/83/52/940578352.db2.gz FMARGKJCQBYLNP-NSHDSACASA-N 0 0 412.793 4.019 20 5 HIBDRN CCOc1cc(Cc2noc(-c3ccc([N+](=O)[O-])c(OC)c3)n2)ccc1OC(F)F ZINC000545641635 940578549 /nfs/dbraw/zinc/57/85/49/940578549.db2.gz JQCIYWJBYPBUAS-UHFFFAOYSA-N 0 0 421.356 4.244 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(/C=C/c2ccccc2OC(F)F)n1 ZINC000545668388 940579741 /nfs/dbraw/zinc/57/97/41/940579741.db2.gz GZZJVZPRPXYZQC-MDZDMXLPSA-N 0 0 402.357 4.404 20 5 HIBDRN Cc1cc(C)n(-c2ccc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)cc2)n1 ZINC000545670127 940579821 /nfs/dbraw/zinc/57/98/21/940579821.db2.gz ZUKLURCQLMHOKX-UHFFFAOYSA-N 0 0 404.430 4.102 20 5 HIBDRN Cc1ccc(C2(c3nc(CCNc4ccccc4[N+](=O)[O-])no3)CCOCC2)cc1 ZINC000545672828 940579968 /nfs/dbraw/zinc/57/99/68/940579968.db2.gz DMWVNZFXKWJFNR-UHFFFAOYSA-N 0 0 408.458 4.037 20 5 HIBDRN O=[N+]([O-])c1ccc(SCc2nc(Cc3ccc(Oc4ncccn4)cc3)no2)cc1 ZINC000545684824 940580577 /nfs/dbraw/zinc/58/05/77/940580577.db2.gz DCAVSXDGZJAYSV-UHFFFAOYSA-N 0 0 421.438 4.443 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(OCC(F)(F)C(F)F)nc2)n1 ZINC000545695933 940581303 /nfs/dbraw/zinc/58/13/03/940581303.db2.gz SQLXUSTVXHOELC-UHFFFAOYSA-N 0 0 412.299 4.294 20 5 HIBDRN COc1cc(-c2noc(CSCc3ccc(OC)c([N+](=O)[O-])c3)n2)ccc1F ZINC000545705917 940581704 /nfs/dbraw/zinc/58/17/04/940581704.db2.gz RGDKRBDAEOIZHS-UHFFFAOYSA-N 0 0 405.407 4.235 20 5 HIBDRN Cn1nccc1Cc1noc(-c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000545709817 940581788 /nfs/dbraw/zinc/58/17/88/940581788.db2.gz CASWWZNZAOUAPV-UHFFFAOYSA-N 0 0 411.805 4.415 20 5 HIBDRN CC[C@@H](C)n1nc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1C ZINC000545737559 940583021 /nfs/dbraw/zinc/58/30/21/940583021.db2.gz NJZHGNOQFJWJLA-SNVBAGLBSA-N 0 0 420.267 4.474 20 5 HIBDRN COc1cc(-c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)c2ccccc2n1 ZINC000545742967 940583280 /nfs/dbraw/zinc/58/32/80/940583280.db2.gz HVUMBVJHSFBAEI-UHFFFAOYSA-N 0 0 401.382 4.274 20 5 HIBDRN CC(C)c1[nH]nc(-c2nc(CCc3ccccc3Br)no2)c1[N+](=O)[O-] ZINC000545752851 940583835 /nfs/dbraw/zinc/58/38/35/940583835.db2.gz ZNDLDHRFAFUYTG-UHFFFAOYSA-N 0 0 406.240 4.039 20 5 HIBDRN COCCCOc1cc(C)ccc1-c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000545754967 940583994 /nfs/dbraw/zinc/58/39/94/940583994.db2.gz CONHEEDAPAPXKI-UHFFFAOYSA-N 0 0 412.446 4.005 20 5 HIBDRN COCCOc1ccc(Cl)cc1-c1noc(/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000545760371 940584318 /nfs/dbraw/zinc/58/43/18/940584318.db2.gz ZXSHKLHQPXIRRG-VMPITWQZSA-N 0 0 401.806 4.494 20 5 HIBDRN COCCOc1ccc(Cl)cc1-c1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000545760372 940584330 /nfs/dbraw/zinc/58/43/30/940584330.db2.gz ZXSHKLHQPXIRRG-YVMONPNESA-N 0 0 401.806 4.494 20 5 HIBDRN Cc1cc(Br)ccc1Cc1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000545766313 940584664 /nfs/dbraw/zinc/58/46/64/940584664.db2.gz VYHOBFIWEWROQG-UHFFFAOYSA-N 0 0 403.236 4.252 20 5 HIBDRN COc1cc(Cc2noc(CCc3ncc(-c4ccccc4)o3)n2)ccc1[N+](=O)[O-] ZINC000545780937 940588153 /nfs/dbraw/zinc/58/81/53/940588153.db2.gz CFUKYZGVNVGLBQ-UHFFFAOYSA-N 0 0 406.398 4.017 20 5 HIBDRN Cc1cc(Cc2noc(CCc3ncc(-c4ccccc4F)o3)n2)ccc1[N+](=O)[O-] ZINC000545782782 940590050 /nfs/dbraw/zinc/59/00/50/940590050.db2.gz UTDOWEZGZJYIIY-UHFFFAOYSA-N 0 0 408.389 4.456 20 5 HIBDRN CC(C)NC(=O)Nc1cccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000545782261 940590177 /nfs/dbraw/zinc/59/01/77/940590177.db2.gz YDPFMMWPBXLMSU-UHFFFAOYSA-N 0 0 420.429 4.247 20 5 HIBDRN O=[N+]([O-])c1cnn(CCc2nc(-c3ccc(Oc4ccc(F)c(F)c4)cc3)no2)c1 ZINC000545798818 940600549 /nfs/dbraw/zinc/60/05/49/940600549.db2.gz MNKVOQVZNJTRKR-UHFFFAOYSA-N 0 0 413.340 4.155 20 5 HIBDRN CCS(=O)(=O)Cc1noc(-c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 ZINC000545807347 940604350 /nfs/dbraw/zinc/60/43/50/940604350.db2.gz YADUOIOITODCPW-UHFFFAOYSA-N 0 0 419.484 4.039 20 5 HIBDRN Cn1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)n1 ZINC000545819349 940613410 /nfs/dbraw/zinc/61/34/10/940613410.db2.gz FJDSOUFDIQAIGF-QGZVFWFLSA-N 0 0 405.241 4.155 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4C[C@H]4c4ccc5c(c4)OCCO5)n3)c2c1 ZINC000545851961 940635687 /nfs/dbraw/zinc/63/56/87/940635687.db2.gz HVNGIZJNWHPWIX-DOTOQJQBSA-N 0 0 418.409 4.092 20 5 HIBDRN CCOc1ccc(-c2nc(-c3ccc(C(=O)N4CCC[C@H]4C)cc3)no2)cc1[N+](=O)[O-] ZINC000545851934 940636017 /nfs/dbraw/zinc/63/60/17/940636017.db2.gz GQYYBCWEIWPPLS-CQSZACIVSA-N 0 0 422.441 4.335 20 5 HIBDRN Cc1c(-c2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)cccc1[N+](=O)[O-] ZINC000545852822 940636185 /nfs/dbraw/zinc/63/61/85/940636185.db2.gz OVMWQMAXIAROQQ-CYBMUJFWSA-N 0 0 401.806 4.441 20 5 HIBDRN COc1cccc(CO[C@H](C)c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000545853695 940636452 /nfs/dbraw/zinc/63/64/52/940636452.db2.gz ITRWTFZUYSBOML-CYBMUJFWSA-N 0 0 408.414 4.336 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2ccc(OC)cc2)CC1 ZINC000545902947 940656273 /nfs/dbraw/zinc/65/62/73/940656273.db2.gz XGHHEWKCVWKYSA-SFHVURJKSA-N 0 0 412.486 4.242 20 5 HIBDRN COc1cc(COc2c(F)cc(Br)cc2C(C)=O)c([N+](=O)[O-])cc1F ZINC000545915322 940657094 /nfs/dbraw/zinc/65/70/94/940657094.db2.gz VMHQCMDDFDZBSI-UHFFFAOYSA-N 0 0 416.174 4.426 20 5 HIBDRN Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)c1C ZINC000545936511 940661610 /nfs/dbraw/zinc/66/16/10/940661610.db2.gz UBTSMYFVUINQEF-UHFFFAOYSA-N 0 0 402.863 4.992 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000545958111 940665275 /nfs/dbraw/zinc/66/52/75/940665275.db2.gz DEUMZRNZTMANLP-UHFFFAOYSA-N 0 0 401.419 4.437 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1Br ZINC000545959246 940665917 /nfs/dbraw/zinc/66/59/17/940665917.db2.gz SUPLBCZYXARISV-NSHDSACASA-N 0 0 409.236 4.162 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)c1 ZINC000545962773 940666245 /nfs/dbraw/zinc/66/62/45/940666245.db2.gz PUALMBYVEVBEDE-UHFFFAOYSA-N 0 0 402.863 4.717 20 5 HIBDRN COc1cc(CN[C@H](C)c2nnc(C)s2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000546059059 940685032 /nfs/dbraw/zinc/68/50/32/940685032.db2.gz MQSVJDFTYVCYJZ-CYBMUJFWSA-N 0 0 414.487 4.193 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000546071045 940690906 /nfs/dbraw/zinc/69/09/06/940690906.db2.gz POCMQVXEJXJLGY-UHFFFAOYSA-N 0 0 410.442 4.152 20 5 HIBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000546090799 940697409 /nfs/dbraw/zinc/69/74/09/940697409.db2.gz JZSPIWPHSPILNQ-UHFFFAOYSA-N 0 0 422.407 4.076 20 5 HIBDRN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000546118162 940704311 /nfs/dbraw/zinc/70/43/11/940704311.db2.gz JXDUGLHPOVEPQF-GFCCVEGCSA-N 0 0 409.269 4.469 20 5 HIBDRN COc1ccccc1C1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000546154631 940715736 /nfs/dbraw/zinc/71/57/36/940715736.db2.gz QBNHPXAWZMAAEW-UHFFFAOYSA-N 0 0 409.486 4.399 20 5 HIBDRN O=[N+]([O-])c1ccccc1Cc1noc(-c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)n1 ZINC000546239941 940741931 /nfs/dbraw/zinc/74/19/31/940741931.db2.gz PGMQNUYJPFALML-UHFFFAOYSA-N 0 0 423.379 4.188 20 5 HIBDRN Nc1ccc(-c2noc(-c3cc(OC(F)F)cc(OC(F)F)c3)n2)cc1[N+](=O)[O-] ZINC000546259465 940751269 /nfs/dbraw/zinc/75/12/69/940751269.db2.gz RKBIBQYZLQLULO-UHFFFAOYSA-N 0 0 414.271 4.097 20 5 HIBDRN C[C@H](SCC(=O)Nc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000546259255 940751388 /nfs/dbraw/zinc/75/13/88/940751388.db2.gz PBWLIEWYLGGUDC-NSHDSACASA-N 0 0 402.407 4.217 20 5 HIBDRN Nc1ccc(-c2noc(-c3cnc(-c4ccc(F)c(F)c4)s3)n2)cc1[N+](=O)[O-] ZINC000546261561 940751748 /nfs/dbraw/zinc/75/17/48/940751748.db2.gz UXYCOVLQFSQPEB-UHFFFAOYSA-N 0 0 401.354 4.296 20 5 HIBDRN CCOc1c(Br)cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC ZINC000546260576 940751786 /nfs/dbraw/zinc/75/17/86/940751786.db2.gz SAFZXSQIKCPINU-UHFFFAOYSA-N 0 0 420.219 4.482 20 5 HIBDRN Nc1ccc(-c2noc(/C=C/c3ccc(OCc4cccnc4)cc3)n2)cc1[N+](=O)[O-] ZINC000546260300 940751901 /nfs/dbraw/zinc/75/19/01/940751901.db2.gz YSQYCZFBUCVVLZ-BJMVGYQFSA-N 0 0 415.409 4.371 20 5 HIBDRN COC(=O)c1cc(-c2nc(-c3cc(F)ccc3C(F)(F)F)no2)cc([N+](=O)[O-])c1 ZINC000546280081 940760413 /nfs/dbraw/zinc/76/04/13/940760413.db2.gz YRUPROABPNSMNN-UHFFFAOYSA-N 0 0 411.267 4.256 20 5 HIBDRN COc1cc(C(C)=O)ccc1OCCCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000546280080 940760783 /nfs/dbraw/zinc/76/07/83/940760783.db2.gz YQBQIGYLCDQAAY-UHFFFAOYSA-N 0 0 411.414 4.176 20 5 HIBDRN COc1cc(-c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)ccc1OC[C@@H]1CCCO1 ZINC000546283224 940762639 /nfs/dbraw/zinc/76/26/39/940762639.db2.gz STJXAMXEDXMGPS-INIZCTEOSA-N 0 0 415.377 4.017 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)c(-n2ccc(-c3nc(Cc4ccncc4)no3)n2)c(Cl)c1 ZINC000546304093 940774068 /nfs/dbraw/zinc/77/40/68/940774068.db2.gz NJKQRBOHKZHJCT-UHFFFAOYSA-N 0 0 417.212 4.123 20 5 HIBDRN Cc1cc(C)c(Cc2noc(CCCn3c4ccc([N+](=O)[O-])cc4oc3=O)n2)c(C)c1 ZINC000546312619 940778539 /nfs/dbraw/zinc/77/85/39/940778539.db2.gz QUSVKVICDMKIOW-UHFFFAOYSA-N 0 0 422.441 4.035 20 5 HIBDRN COc1ccc(Cc2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)c(Cl)c1OC ZINC000546367397 940803134 /nfs/dbraw/zinc/80/31/34/940803134.db2.gz SNKXZICYTJWXMH-NTMALXAHSA-N 0 0 401.806 4.410 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4ccc(Oc5cccnc5)cc4)no3)c2c1 ZINC000546384657 940807261 /nfs/dbraw/zinc/80/72/61/940807261.db2.gz DDPIKSXDUDCYFQ-UHFFFAOYSA-N 0 0 400.354 4.375 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(Cc2n[nH]c(-c3ccccc3)n2)no1 ZINC000546427556 940817751 /nfs/dbraw/zinc/81/77/51/940817751.db2.gz GTOLJQBOGIWDRV-LBPRGKRZSA-N 0 0 408.443 4.207 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(Cc3noc4ccccc43)n2)c(Br)c1 ZINC000546448733 940822571 /nfs/dbraw/zinc/82/25/71/940822571.db2.gz CHIYHUKMPYNREW-UHFFFAOYSA-N 0 0 415.203 4.063 20 5 HIBDRN CO[C@H](c1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1)c1cccc(Cl)c1 ZINC000546479711 940831679 /nfs/dbraw/zinc/83/16/79/940831679.db2.gz UFIXLOVKXGJTGR-KRWDZBQOSA-N 0 0 411.805 4.220 20 5 HIBDRN COc1cc(Br)ccc1-c1noc(-c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000546484108 940832509 /nfs/dbraw/zinc/83/25/09/940832509.db2.gz SDTHKVRDSDUOPM-UHFFFAOYSA-N 0 0 406.192 4.092 20 5 HIBDRN COc1cc(Cc2noc(-c3cnc(Cc4ccccc4)s3)n2)ccc1[N+](=O)[O-] ZINC000546485058 940832787 /nfs/dbraw/zinc/83/27/87/940832787.db2.gz INWQABLZUYRXRP-UHFFFAOYSA-N 0 0 408.439 4.292 20 5 HIBDRN COc1cc(Cc2noc(CCc3ccccc3OC(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000546487497 940833822 /nfs/dbraw/zinc/83/38/22/940833822.db2.gz WDDJIYAIXRMMTI-UHFFFAOYSA-N 0 0 423.347 4.261 20 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CSc1ccc(-c2noc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)c(Cl)c1 ZINC000546506646 940838768 /nfs/dbraw/zinc/83/87/68/940838768.db2.gz NIALGFQYPFCNCI-UHFFFAOYSA-N 0 0 414.834 4.268 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3cc(OC4CCC4)ccn3)no2)c1 ZINC000546507667 940839096 /nfs/dbraw/zinc/83/90/96/940839096.db2.gz PPDRGHUQFGLNJI-UHFFFAOYSA-N 0 0 417.219 4.401 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000564024071 945353876 /nfs/dbraw/zinc/35/38/76/945353876.db2.gz MVQPCXRIFOYEPX-ZIAGYGMSSA-N 0 0 402.447 4.168 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCc2c1cccc2C(F)(F)F ZINC000546772466 940880381 /nfs/dbraw/zinc/88/03/81/940880381.db2.gz TZXCTMNAFRLMEA-UHFFFAOYSA-N 0 0 402.332 4.002 20 5 HIBDRN CCN1C(=O)CCc2cc(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000546845181 940893454 /nfs/dbraw/zinc/89/34/54/940893454.db2.gz WXRAPLXEOSAFIK-UHFFFAOYSA-N 0 0 410.474 4.038 20 5 HIBDRN CCCc1c(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cnn1-c1cc(C)ccn1 ZINC000546881182 940899787 /nfs/dbraw/zinc/89/97/87/940899787.db2.gz IIGPHWZSRNTLTH-UHFFFAOYSA-N 0 0 406.446 4.065 20 5 HIBDRN CCCc1c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cnn1-c1cc(C)ccn1 ZINC000546912948 940910933 /nfs/dbraw/zinc/91/09/33/940910933.db2.gz NOXQBJWDUJTMFK-CQSZACIVSA-N 0 0 411.437 4.318 20 5 HIBDRN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](c1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000546933607 940918034 /nfs/dbraw/zinc/91/80/34/940918034.db2.gz PGILJNXYTMQXRI-NSHDSACASA-N 0 0 405.336 4.035 20 5 HIBDRN CCCN(CCC)C(=O)c1cccc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1 ZINC000546964487 940929590 /nfs/dbraw/zinc/92/95/90/940929590.db2.gz SRLZZBMZQPHXPY-UHFFFAOYSA-N 0 0 409.446 4.156 20 5 HIBDRN Cc1noc(C)c1COc1ccc(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000546965436 940930456 /nfs/dbraw/zinc/93/04/56/940930456.db2.gz INDNBGCWBRKGBJ-UHFFFAOYSA-N 0 0 406.398 4.419 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)ccc1N1CCCC1 ZINC000546982497 940937030 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/nfs/dbraw/zinc/09/89/39/941098939.db2.gz LCBQMDNIDLDTEO-UHFFFAOYSA-N 0 0 400.847 4.629 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548517006 941112239 /nfs/dbraw/zinc/11/22/39/941112239.db2.gz XVHNOSVEGZBLID-BFUOFWGJSA-N 0 0 403.866 4.092 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2nncn2Cc2ccccc2)ccc1Oc1ccc(F)cc1 ZINC000548616492 941115309 /nfs/dbraw/zinc/11/53/09/941115309.db2.gz LJPUWTJBWHDRGP-UHFFFAOYSA-N 0 0 419.416 4.778 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000548659141 941119121 /nfs/dbraw/zinc/11/91/21/941119121.db2.gz LQFHMDBEVDSRMP-UHFFFAOYSA-N 0 0 411.405 4.204 20 5 HIBDRN CCOc1ccc(C(C)(C)C(=O)NCCc2ccccc2[N+](=O)[O-])cc1OCC ZINC000548746127 941122641 /nfs/dbraw/zinc/12/26/41/941122641.db2.gz RUNDFDMMYOJIGB-UHFFFAOYSA-N 0 0 400.475 4.029 20 5 HIBDRN CNc1ccc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000548907423 941128658 /nfs/dbraw/zinc/12/86/58/941128658.db2.gz WEUABZCQIAUZPN-GOSISDBHSA-N 0 0 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CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)c1 ZINC000549006478 941142174 /nfs/dbraw/zinc/14/21/74/941142174.db2.gz JPTIHLWBZPDPPG-DJJJIMSYSA-N 0 0 404.850 4.249 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)c1 ZINC000549011087 941143038 /nfs/dbraw/zinc/14/30/38/941143038.db2.gz WVJQIELZZLIDSS-UHFFFAOYSA-N 0 0 424.501 4.446 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000549045021 941147955 /nfs/dbraw/zinc/14/79/55/941147955.db2.gz MEFVSEFJDICTOL-QZTJIDSGSA-N 0 0 418.291 4.097 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)S(=O)(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000549098620 941157996 /nfs/dbraw/zinc/15/79/96/941157996.db2.gz IYQQTMDYTKWPBC-SNVBAGLBSA-N 0 0 417.270 4.011 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000549147073 941165449 /nfs/dbraw/zinc/16/54/49/941165449.db2.gz FLGRGCHWQZJATB-IBGZPJMESA-N 0 0 410.518 4.103 20 5 HIBDRN O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] 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CC(=O)c1ccc(OC[C@@H](O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000549784707 941207390 /nfs/dbraw/zinc/20/73/90/941207390.db2.gz GSGVUIPYCHGORG-HXUWFJFHSA-N 0 0 407.422 4.283 20 5 HIBDRN COc1ccc(COC[C@H](O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000549784450 941207435 /nfs/dbraw/zinc/20/74/35/941207435.db2.gz AHVMQQDDFOEQKP-FQEVSTJZSA-N 0 0 409.438 4.227 20 5 HIBDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)c12 ZINC000549795711 941207680 /nfs/dbraw/zinc/20/76/80/941207680.db2.gz KPDOOEDJHSKZRU-UHFFFAOYSA-N 0 0 401.426 4.129 20 5 HIBDRN CC(C)(C)[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)C1 ZINC000549998814 941262678 /nfs/dbraw/zinc/26/26/78/941262678.db2.gz XFUAWKWZQGDTMZ-HKUYNNGSSA-N 0 0 413.522 4.295 20 5 HIBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c2cccnc12 ZINC000550179392 941294700 /nfs/dbraw/zinc/29/47/00/941294700.db2.gz NJVWNMRAUOZRNZ-UHFFFAOYSA-N 0 0 416.231 4.475 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 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JQVGTXIAHPKOIS-GFCCVEGCSA-N 0 0 410.348 4.018 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(F)c1Br ZINC000550661117 941351192 /nfs/dbraw/zinc/35/11/92/941351192.db2.gz LPYZPCJMQNYZNK-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN CCOC(=O)c1cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc([N+](=O)[O-])c1 ZINC000550885852 941379091 /nfs/dbraw/zinc/37/90/91/941379091.db2.gz GCCVMALXEYOESS-UHFFFAOYSA-N 0 0 422.359 4.209 20 5 HIBDRN CC[C@H](C)CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000551120669 941413921 /nfs/dbraw/zinc/41/39/21/941413921.db2.gz SRVPNKIBBLPKSC-LBPRGKRZSA-N 0 0 407.517 4.251 20 5 HIBDRN COc1ccc(CNC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] ZINC000551148832 941418619 /nfs/dbraw/zinc/41/86/19/941418619.db2.gz BSMKNJXSPYVRLY-UHFFFAOYSA-N 0 0 409.364 4.111 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000551166386 941420744 /nfs/dbraw/zinc/42/07/44/941420744.db2.gz YIOYEKKYOVAXGA-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN O=C(COc1ccsc1Cl)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000551215532 941428770 /nfs/dbraw/zinc/42/87/70/941428770.db2.gz SNLLOCQUPUVTKU-UHFFFAOYSA-N 0 0 408.785 4.280 20 5 HIBDRN C[C@H](NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000551217847 941429502 /nfs/dbraw/zinc/42/95/02/941429502.db2.gz ZGDCLWHIWVZCHE-APPDUMDISA-N 0 0 419.279 4.264 20 5 HIBDRN COc1ccc(CC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] ZINC000551353854 941459690 /nfs/dbraw/zinc/45/96/90/941459690.db2.gz ODGCNMPQVOUSHN-UHFFFAOYSA-N 0 0 417.874 4.239 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(Cc3n[nH]c(-c4ccccc4)n3)no2)c1 ZINC000551370438 941463684 /nfs/dbraw/zinc/46/36/84/941463684.db2.gz KZMTUOKOIJPZLF-UHFFFAOYSA-N 0 0 416.319 4.040 20 5 HIBDRN Cc1nc2c(cccc2-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)[nH]1 ZINC000551422889 941476463 /nfs/dbraw/zinc/47/64/63/941476463.db2.gz NQADLUVMXUQELK-UHFFFAOYSA-N 0 0 400.192 4.259 20 5 HIBDRN COc1cc(-c2nc(-c3cc(Br)ccc3F)no2)cc([N+](=O)[O-])c1OC ZINC000551465328 941484599 /nfs/dbraw/zinc/48/45/99/941484599.db2.gz ACTTWGCYWVFQFC-UHFFFAOYSA-N 0 0 424.182 4.231 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000551478652 941487555 /nfs/dbraw/zinc/48/75/55/941487555.db2.gz UNTYUQGXEWDQSD-DOTOQJQBSA-N 0 0 415.877 4.157 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000551500220 941490562 /nfs/dbraw/zinc/49/05/62/941490562.db2.gz FMHMCCHKFASDDC-GOSISDBHSA-N 0 0 409.486 4.141 20 5 HIBDRN CC[C@H]1CCCC[C@H]1c1noc(-c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)n1 ZINC000551536179 941496995 /nfs/dbraw/zinc/49/69/95/941496995.db2.gz PJJXEVDEICYKSS-LSDHHAIUSA-N 0 0 409.446 4.183 20 5 HIBDRN COc1cccc2c1ncc(C)c2NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000551633566 941515892 /nfs/dbraw/zinc/51/58/92/941515892.db2.gz MSQYGKROHHZCGZ-UHFFFAOYSA-N 0 0 413.455 4.443 20 5 HIBDRN COC(=O)c1scc(C)c1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000551652615 941519409 /nfs/dbraw/zinc/51/94/09/941519409.db2.gz OEJJXGLZWAKXKV-UHFFFAOYSA-N 0 0 413.249 4.075 20 5 HIBDRN O=C(C1CC1)N1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000551657055 941520107 /nfs/dbraw/zinc/52/01/07/941520107.db2.gz MOQBVUPXPRNLCD-UHFFFAOYSA-N 0 0 415.877 4.095 20 5 HIBDRN CCOC(=O)c1cc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c(F)cc1C ZINC000551681373 941525877 /nfs/dbraw/zinc/52/58/77/941525877.db2.gz KMNUPDPWKYBZMU-UHFFFAOYSA-N 0 0 422.434 4.202 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)c1[N+](=O)[O-] ZINC000551690558 941527419 /nfs/dbraw/zinc/52/74/19/941527419.db2.gz JXHXCBUTTXHCML-UHFFFAOYSA-N 0 0 409.414 4.033 20 5 HIBDRN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551756272 941539774 /nfs/dbraw/zinc/53/97/74/941539774.db2.gz OSZDHFZQJMGWKV-UHFFFAOYSA-N 0 0 424.501 4.378 20 5 HIBDRN C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000552064096 941577714 /nfs/dbraw/zinc/57/77/14/941577714.db2.gz XJSTXDYETYBYPJ-IFXJQAMLSA-N 0 0 400.866 4.128 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000552112018 941586991 /nfs/dbraw/zinc/58/69/91/941586991.db2.gz GMCVVWIENKHALC-IBGZPJMESA-N 0 0 414.465 4.436 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC000552233272 941609754 /nfs/dbraw/zinc/60/97/54/941609754.db2.gz VCXUACLUYCWGBM-VIZZQPHQSA-N 0 0 416.428 4.280 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000552264201 941617167 /nfs/dbraw/zinc/61/71/67/941617167.db2.gz AXALUUWSPKSICA-UHFFFAOYSA-N 0 0 413.380 4.375 20 5 HIBDRN Cc1ccc(-n2cc(N[C@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)cn2)c(C)c1 ZINC000552283387 941622037 /nfs/dbraw/zinc/62/20/37/941622037.db2.gz BLZQEJYGMXFXKX-NRFANRHFSA-N 0 0 402.458 4.332 20 5 HIBDRN Cc1nnc(COCC(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)s1 ZINC000552365532 941645923 /nfs/dbraw/zinc/64/59/23/941645923.db2.gz HBJATHSDAINCEO-UHFFFAOYSA-N 0 0 422.513 4.123 20 5 HIBDRN COc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)c([N+](=O)[O-])c1 ZINC000552441661 941672502 /nfs/dbraw/zinc/67/25/02/941672502.db2.gz QNZXWWJKPXYUEC-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CCCc1nc(C)c(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)o1 ZINC000552608278 941720663 /nfs/dbraw/zinc/72/06/63/941720663.db2.gz HXLMBWRGJXFAHQ-CQSZACIVSA-N 0 0 423.473 4.342 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000552607447 941720707 /nfs/dbraw/zinc/72/07/07/941720707.db2.gz YHLOVGRWOKHBSS-UHFFFAOYSA-N 0 0 409.467 4.223 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCc4cc(Cl)ccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000552642497 941729265 /nfs/dbraw/zinc/72/92/65/941729265.db2.gz HMKPRJWKHYJIMK-UHFFFAOYSA-N 0 0 410.861 4.313 20 5 HIBDRN Cc1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc([N+](=O)[O-])c1 ZINC000552677679 941735325 /nfs/dbraw/zinc/73/53/25/941735325.db2.gz MWZKTUHIKPQKFS-SFHVURJKSA-N 0 0 405.857 4.263 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc2c(Cl)cccc2n1 ZINC000552794161 941765401 /nfs/dbraw/zinc/76/54/01/941765401.db2.gz QJSDZYAGIVUQIB-UHFFFAOYSA-N 0 0 408.801 4.362 20 5 HIBDRN O=C(CSCc1nc2ccccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000552812355 941772881 /nfs/dbraw/zinc/77/28/81/941772881.db2.gz GBWMASFDTJODEL-UHFFFAOYSA-N 0 0 421.276 4.106 20 5 HIBDRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000552827328 941779262 /nfs/dbraw/zinc/77/92/62/941779262.db2.gz QIJGLVBWXLZGJY-SCLBCKFNSA-N 0 0 408.376 4.145 20 5 HIBDRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000552889150 941798217 /nfs/dbraw/zinc/79/82/17/941798217.db2.gz LGYKSHJYXYYNCZ-PBHICJAKSA-N 0 0 414.458 4.234 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@@H](C)c2ccc(OC)c(Br)c2)c1[N+](=O)[O-] ZINC000552909898 941801587 /nfs/dbraw/zinc/80/15/87/941801587.db2.gz VBPFFCPBGGZFIF-JTQLQIEISA-N 0 0 424.251 4.029 20 5 HIBDRN C[C@@]12CCN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000552963344 941809788 /nfs/dbraw/zinc/80/97/88/941809788.db2.gz DZAXEFKEZJZVFN-AZUAARDMSA-N 0 0 401.413 4.324 20 5 HIBDRN Cc1cc(F)ccc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000552972801 941810693 /nfs/dbraw/zinc/81/06/93/941810693.db2.gz QMSXQJHSZMYXKO-UHFFFAOYSA-N 0 0 418.490 4.147 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCc3ccc(C4CC4)cc3F)cc2)c(C)c1[N+](=O)[O-] ZINC000553020727 941818450 /nfs/dbraw/zinc/81/84/50/941818450.db2.gz HUBUBBDHKVJSFW-UHFFFAOYSA-N 0 0 422.460 4.403 20 5 HIBDRN Cc1ccc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccco1 ZINC000553058095 941825906 /nfs/dbraw/zinc/82/59/06/941825906.db2.gz HGFATJZDZMPCEX-UHFFFAOYSA-N 0 0 407.426 4.063 20 5 HIBDRN Nc1c(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc(F)cc1[N+](=O)[O-] ZINC000553142432 941839743 /nfs/dbraw/zinc/83/97/43/941839743.db2.gz ANGAONMVBJQZLT-GFCCVEGCSA-N 0 0 411.355 4.355 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000553162494 941842683 /nfs/dbraw/zinc/84/26/83/941842683.db2.gz YLYRYRLQCXUGEI-CYBMUJFWSA-N 0 0 413.405 4.354 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@H](C)c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000553193795 941847367 /nfs/dbraw/zinc/84/73/67/941847367.db2.gz OSJDNNUMBGXMBM-MRVPVSSYSA-N 0 0 400.254 4.082 20 5 HIBDRN NC(=O)c1cccc(N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c1[N+](=O)[O-] ZINC000553241655 941855500 /nfs/dbraw/zinc/85/55/00/941855500.db2.gz NDKKRGQJABPPBV-LBPRGKRZSA-N 0 0 409.273 4.081 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1OC(F)F ZINC000553243275 941855559 /nfs/dbraw/zinc/85/55/59/941855559.db2.gz WIIYBPAWSIVTMC-HNNXBMFYSA-N 0 0 424.404 4.205 20 5 HIBDRN Cn1ccnc1[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000553262606 941858060 /nfs/dbraw/zinc/85/80/60/941858060.db2.gz DGSMPKYFLSWICL-AWEZNQCLSA-N 0 0 400.851 4.188 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1[N+](=O)[O-] ZINC000553278594 941860064 /nfs/dbraw/zinc/86/00/64/941860064.db2.gz ZFXOLOHOQQUWPF-CQSZACIVSA-N 0 0 412.368 4.221 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(F)c(Br)c(Cl)c2)c1[N+](=O)[O-] ZINC000553311427 941865554 /nfs/dbraw/zinc/86/55/54/941865554.db2.gz BKQJTUVOQZRIHH-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 ZINC000553335165 941868833 /nfs/dbraw/zinc/86/88/33/941868833.db2.gz RJRFSTJNSGKGNL-RHSMWYFYSA-N 0 0 423.498 4.098 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[S@@](C)=O)cc1 ZINC000553403521 941879950 /nfs/dbraw/zinc/87/99/50/941879950.db2.gz QQWRUFPCNFNCHQ-MUUNZHRXSA-N 0 0 420.556 4.296 20 5 HIBDRN C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000553408102 941880629 /nfs/dbraw/zinc/88/06/29/941880629.db2.gz OBSMFQGGCVMATC-GFCCVEGCSA-N 0 0 420.454 4.420 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(COCc2ccco2)c1 ZINC000553414920 941881121 /nfs/dbraw/zinc/88/11/21/941881121.db2.gz QYOZBXCZKPNDCU-UHFFFAOYSA-N 0 0 423.469 4.289 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000553427134 941882746 /nfs/dbraw/zinc/88/27/46/941882746.db2.gz VVDVUEHPCQOJSD-MGPQQGTHSA-N 0 0 418.444 4.241 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000553427135 941882861 /nfs/dbraw/zinc/88/28/61/941882861.db2.gz VVDVUEHPCQOJSD-MJBXVCDLSA-N 0 0 418.444 4.241 20 5 HIBDRN C[C@@H](C(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000553432799 941883990 /nfs/dbraw/zinc/88/39/90/941883990.db2.gz WGJPECHZASAOSX-QGHHPUGFSA-N 0 0 415.248 4.384 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000553440754 941885399 /nfs/dbraw/zinc/88/53/99/941885399.db2.gz OWAUVCVSKDWPMZ-UHFFFAOYSA-N 0 0 424.501 4.108 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)cc([N+](=O)[O-])c1OC ZINC000553488271 941894289 /nfs/dbraw/zinc/89/42/89/941894289.db2.gz GXVZDDBNYOAYRI-KRWDZBQOSA-N 0 0 423.347 4.127 20 5 HIBDRN O=c1[nH]c(N2CCC[C@H]2c2ccc(Br)s2)nc2ccc([N+](=O)[O-])cc12 ZINC000553494398 941896399 /nfs/dbraw/zinc/89/63/99/941896399.db2.gz HUCNAQWLPKRYEP-LBPRGKRZSA-N 0 0 421.276 4.409 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000553550438 941906816 /nfs/dbraw/zinc/90/68/16/941906816.db2.gz CZWVMAAEYPVRDH-CYBMUJFWSA-N 0 0 416.421 4.006 20 5 HIBDRN O=C(NCC1(c2ccccn2)CCC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000553573154 941911912 /nfs/dbraw/zinc/91/19/12/941911912.db2.gz SZAWKKBLNAXRON-UHFFFAOYSA-N 0 0 416.481 4.454 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c([N+](=O)[O-])c1 ZINC000553575007 941912450 /nfs/dbraw/zinc/91/24/50/941912450.db2.gz OZGDLRFEMVYXKU-UHFFFAOYSA-N 0 0 417.462 4.092 20 5 HIBDRN O=C(CCCc1ccccc1)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000553577880 941913022 /nfs/dbraw/zinc/91/30/22/941913022.db2.gz OTCKEQJNGIQHTM-LJQANCHMSA-N 0 0 418.497 4.251 20 5 HIBDRN O=C(CCCc1ccccc1)N[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000553577879 941913044 /nfs/dbraw/zinc/91/30/44/941913044.db2.gz OTCKEQJNGIQHTM-IBGZPJMESA-N 0 0 418.497 4.251 20 5 HIBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(OC)c(OC)c1 ZINC000553598320 941918131 /nfs/dbraw/zinc/91/81/31/941918131.db2.gz HGXKYQDFJVHCPT-GOSISDBHSA-N 0 0 413.474 4.411 20 5 HIBDRN CCOc1cc(C(=O)NCC(C)(C)c2ccc(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000553639752 941929898 /nfs/dbraw/zinc/92/98/98/941929898.db2.gz FYLHNUGZAJSNQI-UHFFFAOYSA-N 0 0 400.475 4.327 20 5 HIBDRN Cc1nnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)[nH]1 ZINC000553639107 941930047 /nfs/dbraw/zinc/93/00/47/941930047.db2.gz QSQQOIQHWJTRCF-SNVBAGLBSA-N 0 0 417.878 4.317 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CSC[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000553676495 941942453 /nfs/dbraw/zinc/94/24/53/941942453.db2.gz JWUDEIILECFGOO-KSSFIOAISA-N 0 0 421.544 4.176 20 5 HIBDRN CC(C)(NC(=O)COc1ccc(Oc2ccccn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000553727075 941953585 /nfs/dbraw/zinc/95/35/85/941953585.db2.gz UTEJZBFRRYYUPZ-UHFFFAOYSA-N 0 0 407.426 4.212 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1nc(-c2ccccc2F)cs1 ZINC000553802569 941972771 /nfs/dbraw/zinc/97/27/71/941972771.db2.gz OYYWVPPXVMBWQD-UHFFFAOYSA-N 0 0 414.462 4.242 20 5 HIBDRN Cc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000553814252 941975277 /nfs/dbraw/zinc/97/52/77/941975277.db2.gz UPFNQUNOXFZAFH-QGZVFWFLSA-N 0 0 414.458 4.177 20 5 HIBDRN CSC[C@@H]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000553934813 942002372 /nfs/dbraw/zinc/00/23/72/942002372.db2.gz LLRDOHRDTFHJKP-JKSUJKDBSA-N 0 0 414.531 4.378 20 5 HIBDRN O=C(NC[C@@H](O)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000554033228 942022916 /nfs/dbraw/zinc/02/29/16/942022916.db2.gz KLCCBFCCXOAAAH-IBGZPJMESA-N 0 0 414.527 4.211 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC=C(c2ccncc2)C1 ZINC000554107488 942037345 /nfs/dbraw/zinc/03/73/45/942037345.db2.gz YVVGDQQIRJPNRY-UHFFFAOYSA-N 0 0 406.364 4.008 20 5 HIBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC1(CCO)CC1 ZINC000554188522 942062418 /nfs/dbraw/zinc/06/24/18/942062418.db2.gz CXVPYBJRELUFLS-DTQAZKPQSA-N 0 0 423.494 4.166 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000554356425 942112728 /nfs/dbraw/zinc/11/27/28/942112728.db2.gz QRIRFWNNAFLZSC-LJQANCHMSA-N 0 0 424.501 4.039 20 5 HIBDRN C[C@H](CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)CO)c1ccccc1 ZINC000554406118 942129828 /nfs/dbraw/zinc/12/98/28/942129828.db2.gz XLWXROVLQCFHLB-KGLIPLIRSA-N 0 0 423.416 4.215 20 5 HIBDRN CNc1ccc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000554569013 942168482 /nfs/dbraw/zinc/16/84/82/942168482.db2.gz HORCKSGQVUVSQZ-AWEZNQCLSA-N 0 0 418.291 4.104 20 5 HIBDRN C[C@@H](C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000554628258 942178857 /nfs/dbraw/zinc/17/88/57/942178857.db2.gz LPXVUOBYRMPDIP-LLVKDONJSA-N 0 0 410.257 4.150 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(C(F)(F)F)cc1 ZINC000554691752 942200552 /nfs/dbraw/zinc/20/05/52/942200552.db2.gz LQAFURSJRPFJBJ-UHFFFAOYSA-N 0 0 406.364 4.137 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000554704822 942204634 /nfs/dbraw/zinc/20/46/34/942204634.db2.gz OGNFWGLITFGXHK-AWEZNQCLSA-N 0 0 406.385 4.002 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000554747849 942219296 /nfs/dbraw/zinc/21/92/96/942219296.db2.gz YHSFGULOXVGKDV-UHFFFAOYSA-N 0 0 406.776 4.202 20 5 HIBDRN Cc1ccccc1[C@@H](c1noc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1)C(C)C ZINC000554845028 942283506 /nfs/dbraw/zinc/28/35/06/942283506.db2.gz ALKMLLWPVUJDQW-SFHVURJKSA-N 0 0 415.471 4.145 20 5 HIBDRN CN(c1ccccc1)C1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC000554866673 942299498 /nfs/dbraw/zinc/29/94/98/942299498.db2.gz CVMROGFLIDWOKS-UHFFFAOYSA-N 0 0 407.392 4.355 20 5 HIBDRN COc1cc(CN2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000554878270 942304985 /nfs/dbraw/zinc/30/49/85/942304985.db2.gz IKYHMMVDDVWWBL-INIZCTEOSA-N 0 0 422.428 4.244 20 5 HIBDRN C[C@@H](O)C[C@H]1COCCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000554889050 942308789 /nfs/dbraw/zinc/30/87/89/942308789.db2.gz DQRRTNAFBCASGO-ZBFHGGJFSA-N 0 0 406.866 4.012 20 5 HIBDRN O=C(Nc1ccc(OC[C@@H](O)CCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000554934911 942324514 /nfs/dbraw/zinc/32/45/14/942324514.db2.gz BJDBGMIIVCJUGX-NRFANRHFSA-N 0 0 406.438 4.220 20 5 HIBDRN O=C(COc1c(Cl)cc(Cl)c2cccnc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000554942310 942326885 /nfs/dbraw/zinc/32/68/85/942326885.db2.gz FWSLQLXGXGMTGA-UHFFFAOYSA-N 0 0 418.236 4.418 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000554961333 942335243 /nfs/dbraw/zinc/33/52/43/942335243.db2.gz GIAWPGIEMBVCAW-UHFFFAOYSA-N 0 0 408.376 4.474 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1 ZINC000554966044 942336216 /nfs/dbraw/zinc/33/62/16/942336216.db2.gz ZSUNJBGPNLTWHQ-UHFFFAOYSA-N 0 0 409.442 4.353 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCCC3C[C@H](C)O[C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000555000220 942349788 /nfs/dbraw/zinc/34/97/88/942349788.db2.gz XBZMCNXOSQOCIY-IKGGRYGDSA-N 0 0 403.523 4.155 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)c1 ZINC000555006275 942352353 /nfs/dbraw/zinc/35/23/53/942352353.db2.gz OVSXJNZFZBTGJL-HNNXBMFYSA-N 0 0 417.893 4.212 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000555013239 942355802 /nfs/dbraw/zinc/35/58/02/942355802.db2.gz NBPIUNYTCXISBA-UHFFFAOYSA-N 0 0 415.837 4.225 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000555019094 942358556 /nfs/dbraw/zinc/35/85/56/942358556.db2.gz FNQXOQFUSYKEKH-SNVBAGLBSA-N 0 0 410.257 4.280 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(c2ncccc2Cl)CC1 ZINC000555105087 942386751 /nfs/dbraw/zinc/38/67/51/942386751.db2.gz HWCMGBFBEVTSKB-UHFFFAOYSA-N 0 0 412.881 4.306 20 5 HIBDRN NC(=O)c1ccnc(N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000555144192 942403109 /nfs/dbraw/zinc/40/31/09/942403109.db2.gz GNYXPEQLWOJZQL-FZMZJTMJSA-N 0 0 417.263 4.029 20 5 HIBDRN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1=O ZINC000555240950 942442433 /nfs/dbraw/zinc/44/24/33/942442433.db2.gz GNAWNJGKJBOBGZ-JLTOFOAXSA-N 0 0 408.433 4.446 20 5 HIBDRN COc1cc(N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c(F)cc1[N+](=O)[O-] ZINC000555244346 942444234 /nfs/dbraw/zinc/44/42/34/942444234.db2.gz HPBKFOMWEDWNMF-BLLLJJGKSA-N 0 0 405.401 4.046 20 5 HIBDRN CCCCCC(=O)NC1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555334615 942480546 /nfs/dbraw/zinc/48/05/46/942480546.db2.gz ZBSWZOFWIRYCMD-UHFFFAOYSA-N 0 0 401.429 4.275 20 5 HIBDRN CC(C)(C(=O)NCc1cccc(COCc2ccco2)c1)c1ccccc1[N+](=O)[O-] ZINC000555677521 942696467 /nfs/dbraw/zinc/69/64/67/942696467.db2.gz LGXBVOSWCFZXMT-UHFFFAOYSA-N 0 0 408.454 4.499 20 5 HIBDRN C[C@H](C(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000555748191 942719211 /nfs/dbraw/zinc/71/92/11/942719211.db2.gz LKIANCLXTKGWLS-RWRYZHGASA-N 0 0 409.269 4.122 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Oc2ccc(OC)cc2)CC1 ZINC000555919696 942770436 /nfs/dbraw/zinc/77/04/36/942770436.db2.gz VQUCCJBGRJQADI-UHFFFAOYSA-N 0 0 415.446 4.077 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)c1cccc2cccnc21 ZINC000556439394 942867381 /nfs/dbraw/zinc/86/73/81/942867381.db2.gz NYWQSSFOMFXQCY-UHFFFAOYSA-N 0 0 400.232 4.491 20 5 HIBDRN C[C@@H](CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)c1cccc(F)c1 ZINC000556469677 942877512 /nfs/dbraw/zinc/87/75/12/942877512.db2.gz YTWAHKXBWJDTGA-JTQLQIEISA-N 0 0 409.211 4.344 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556475017 942879272 /nfs/dbraw/zinc/87/92/72/942879272.db2.gz HMOYCRJTCPNTKJ-CQSZACIVSA-N 0 0 421.469 4.093 20 5 HIBDRN Cc1oc(-c2ccco2)nc1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556482335 942881609 /nfs/dbraw/zinc/88/16/09/942881609.db2.gz XVYQFGZUPCQJKR-UHFFFAOYSA-N 0 0 406.192 4.095 20 5 HIBDRN CCCCc1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000556546401 942896276 /nfs/dbraw/zinc/89/62/76/942896276.db2.gz BLUBPLXFDNBUCV-UHFFFAOYSA-N 0 0 420.263 4.277 20 5 HIBDRN CC(C)CC(=O)Nc1cccc(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000556870802 942945586 /nfs/dbraw/zinc/94/55/86/942945586.db2.gz ILDFEGPRAVCQLA-QFIPXVFZSA-N 0 0 421.501 4.192 20 5 HIBDRN Cn1ccnc1[C@H](N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000556887744 942952014 /nfs/dbraw/zinc/95/20/14/942952014.db2.gz FLUJZMYBEIDRDA-AZUAARDMSA-N 0 0 410.449 4.449 20 5 HIBDRN COc1ccccc1[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000556890709 942953199 /nfs/dbraw/zinc/95/31/99/942953199.db2.gz QQHUPLBMJZQZSL-FCHUYYIVSA-N 0 0 424.501 4.182 20 5 HIBDRN CN(c1ccccc1)c1ccc(CN2CCC([C@H](O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000556926056 942969145 /nfs/dbraw/zinc/96/91/45/942969145.db2.gz VIQPFFOLCMFETP-FQEVSTJZSA-N 0 0 423.435 4.498 20 5 HIBDRN O=C(NCc1cc(F)ccc1Br)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000557011283 942993936 /nfs/dbraw/zinc/99/39/36/942993936.db2.gz SZRFHPJDLNANGV-UHFFFAOYSA-N 0 0 421.144 4.445 20 5 HIBDRN COc1cc(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)cc([N+](=O)[O-])c1OC ZINC000557079269 943015097 /nfs/dbraw/zinc/01/50/97/943015097.db2.gz YBUBSMHMZMPQRY-LJQANCHMSA-N 0 0 420.412 4.314 20 5 HIBDRN C[C@@H](C(=O)NCc1cc(F)c(F)cc1Br)c1ccc([N+](=O)[O-])cc1F ZINC000557138750 943028491 /nfs/dbraw/zinc/02/84/91/943028491.db2.gz AOOXMHHEUSCFBL-MRVPVSSYSA-N 0 0 417.181 4.195 20 5 HIBDRN Cc1cc2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Br)ccc2[nH]1 ZINC000557164302 943036589 /nfs/dbraw/zinc/03/65/89/943036589.db2.gz PUMYGMPLLHPAGB-UHFFFAOYSA-N 0 0 402.248 4.006 20 5 HIBDRN Cc1cc2cc(CNC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)ccc2[nH]1 ZINC000557166240 943037316 /nfs/dbraw/zinc/03/73/16/943037316.db2.gz YVHXCZNFVBVELR-UHFFFAOYSA-N 0 0 417.469 4.176 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)cc1Br ZINC000557166784 943037568 /nfs/dbraw/zinc/03/75/68/943037568.db2.gz TXJKQNNZECXWHX-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN COc1ccc(Cn2cc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cn2)cc1 ZINC000557196099 943047037 /nfs/dbraw/zinc/04/70/37/943047037.db2.gz GCAJITFQVLRDFN-UHFFFAOYSA-N 0 0 424.460 4.187 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000557455042 943136839 /nfs/dbraw/zinc/13/68/39/943136839.db2.gz ZUVOOMMNLWUDLW-IRXDYDNUSA-N 0 0 424.423 4.270 20 5 HIBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CC(C2CCC2)C1 ZINC000557469701 943149016 /nfs/dbraw/zinc/14/90/16/943149016.db2.gz HQQZGHCUAUOWHQ-UHFFFAOYSA-N 0 0 411.424 4.089 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2Sc2nnc(COc3ccc(Cl)cc3)o2)s1 ZINC000557478051 943155641 /nfs/dbraw/zinc/15/56/41/943155641.db2.gz YWHQQXWTPYMOQY-UHFFFAOYSA-N 0 0 421.847 4.366 20 5 HIBDRN O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000557482842 943158189 /nfs/dbraw/zinc/15/81/89/943158189.db2.gz BPPFVGPCMMONOA-UHFFFAOYSA-N 0 0 413.437 4.286 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@@H]2CCCc3cc(OC(F)F)ccc32)c1[N+](=O)[O-] ZINC000557541844 943200378 /nfs/dbraw/zinc/20/03/78/943200378.db2.gz WKDPIWNOKQLTQH-OAHLLOKOSA-N 0 0 407.373 4.176 20 5 HIBDRN C[C@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000557565629 943212222 /nfs/dbraw/zinc/21/22/22/943212222.db2.gz LDLVECQGXQXKMT-FXAWDEMLSA-N 0 0 411.502 4.363 20 5 HIBDRN O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000557595307 943224144 /nfs/dbraw/zinc/22/41/44/943224144.db2.gz HIEDTDYOIZVDTR-MRXNPFEDSA-N 0 0 408.241 4.236 20 5 HIBDRN O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000557599822 943225852 /nfs/dbraw/zinc/22/58/52/943225852.db2.gz LJBNJCUPQSMIBM-AWEZNQCLSA-N 0 0 408.241 4.236 20 5 HIBDRN C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2ccccc21 ZINC000557600778 943227338 /nfs/dbraw/zinc/22/73/38/943227338.db2.gz PREGBHBJCMUKFT-NSHDSACASA-N 0 0 411.277 4.060 20 5 HIBDRN C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@H](C)c1ccccc1C(F)(F)F ZINC000557607188 943228451 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4.083 20 5 HIBDRN CCSc1cccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000557728257 943271969 /nfs/dbraw/zinc/27/19/69/943271969.db2.gz UILKUFDMMOKKRR-UHFFFAOYSA-N 0 0 401.307 4.461 20 5 HIBDRN O=C(NCCCc1cccc(Cl)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000557801824 943296645 /nfs/dbraw/zinc/29/66/45/943296645.db2.gz NSGYIIGLPMFNLW-UHFFFAOYSA-N 0 0 401.894 4.214 20 5 HIBDRN CC(C)c1ccc(O[C@@H](C)CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000557962972 943341385 /nfs/dbraw/zinc/34/13/85/943341385.db2.gz OIDPYDVHILHDIB-AWEZNQCLSA-N 0 0 409.442 4.169 20 5 HIBDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000557968020 943342565 /nfs/dbraw/zinc/34/25/65/943342565.db2.gz LZWRDEAPKAZFHU-ZDUSSCGKSA-N 0 0 401.488 4.085 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCn2c(cc3ccccc32)C1 ZINC000557993246 943348940 /nfs/dbraw/zinc/34/89/40/943348940.db2.gz MFFIQNVFACUWKV-CQSZACIVSA-N 0 0 413.861 4.403 20 5 HIBDRN Cn1ncc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000558052725 943367023 /nfs/dbraw/zinc/36/70/23/943367023.db2.gz XXHIUJAJOFQTPO-UHFFFAOYSA-N 0 0 401.220 4.010 20 5 HIBDRN C[C@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc(C(C)(C)C)cs1 ZINC000558079588 943374346 /nfs/dbraw/zinc/37/43/46/943374346.db2.gz GDSSBAMXQIYAAL-LBPRGKRZSA-N 0 0 415.519 4.433 20 5 HIBDRN CC(C)(NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC000558111285 943383014 /nfs/dbraw/zinc/38/30/14/943383014.db2.gz YKXCEZODYUKSOM-UHFFFAOYSA-N 0 0 402.319 4.486 20 5 HIBDRN Cc1cc(Br)ccc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558139446 943393959 /nfs/dbraw/zinc/39/39/59/943393959.db2.gz SIJVQHUOJNCJTC-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000558150304 943397121 /nfs/dbraw/zinc/39/71/21/943397121.db2.gz LFMPBRVQIXONTJ-UHFFFAOYSA-N 0 0 424.784 4.101 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000558230470 943446838 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Cc1nc(-c2cccc(-c3noc(-c4cc([N+](=O)[O-])ccc4C(F)(F)F)n3)c2)n[nH]1 ZINC000559960076 944099490 /nfs/dbraw/zinc/09/94/90/944099490.db2.gz MUPCAMQDTWZODY-UHFFFAOYSA-N 0 0 416.319 4.424 20 5 HIBDRN COc1ncc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1Cl ZINC000560117683 944165859 /nfs/dbraw/zinc/16/58/59/944165859.db2.gz TXDWQVHHFCCBSJ-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000560128069 944169337 /nfs/dbraw/zinc/16/93/37/944169337.db2.gz QRXLEHQERFWWGG-UHFFFAOYSA-N 0 0 423.441 4.180 20 5 HIBDRN COc1cccc2[nH]cc(CC(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)c21 ZINC000560131011 944171208 /nfs/dbraw/zinc/17/12/08/944171208.db2.gz FOCOCEDYZBFZHX-UHFFFAOYSA-N 0 0 404.220 4.028 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ccc(Br)cc2C1 ZINC000560207509 944196912 /nfs/dbraw/zinc/19/69/12/944196912.db2.gz LCGMLPHCQOFYKS-UHFFFAOYSA-N 0 0 418.291 4.053 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3sccc32)cc1[N+](=O)[O-] ZINC000560222735 944200741 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GQYWLPCPVYYYFR-OAHLLOKOSA-N 0 0 407.426 4.211 20 5 HIBDRN O=C(Nc1ccccc1)c1cccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000560576727 944261594 /nfs/dbraw/zinc/26/15/94/944261594.db2.gz UNKJJCKQKKQRNV-UHFFFAOYSA-N 0 0 412.405 4.648 20 5 HIBDRN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000560677706 944291221 /nfs/dbraw/zinc/29/12/21/944291221.db2.gz KMJRRAZJCJIPES-CVEARBPZSA-N 0 0 413.440 4.391 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)cs2)c1 ZINC000560680599 944292359 /nfs/dbraw/zinc/29/23/59/944292359.db2.gz LMTDSIRRTCEALG-HNNXBMFYSA-N 0 0 410.503 4.093 20 5 HIBDRN COc1cc(CNc2cc(F)cc(F)c2OC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000560681311 944292410 /nfs/dbraw/zinc/29/24/10/944292410.db2.gz BXQVTVDVFHCESP-UHFFFAOYSA-N 0 0 422.306 4.443 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c2c1NCCC2 ZINC000560692221 944296888 /nfs/dbraw/zinc/29/68/88/944296888.db2.gz SDDVEHLQRSPLSZ-UHFFFAOYSA-N 0 0 409.364 4.455 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CSCc1cc(-c2cccs2)on1 ZINC000560725780 944312179 /nfs/dbraw/zinc/31/21/79/944312179.db2.gz LVSKLXSEIKWSAG-UHFFFAOYSA-N 0 0 417.512 4.246 20 5 HIBDRN Cc1ccccc1C1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCOCC1 ZINC000560797651 944334675 /nfs/dbraw/zinc/33/46/75/944334675.db2.gz PZAGSFNCZNKILX-UHFFFAOYSA-N 0 0 419.275 4.353 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000560842707 944354895 /nfs/dbraw/zinc/35/48/95/944354895.db2.gz CLCUPUAOIKUPTQ-CQSZACIVSA-N 0 0 404.488 4.003 20 5 HIBDRN CCOC1(C)CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000560940440 944373211 /nfs/dbraw/zinc/37/32/11/944373211.db2.gz HCFXZINCLRMKLP-IRXDYDNUSA-N 0 0 403.523 4.108 20 5 HIBDRN COc1cc(OC)cc([C@H](Nc2ccc([N+](=O)[O-])c3ncccc23)c2nccn2C)c1 ZINC000560953484 944375142 /nfs/dbraw/zinc/37/51/42/944375142.db2.gz ZRQXAPGSLRZZJX-FQEVSTJZSA-N 0 0 419.441 4.095 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CC(C)(C)[C@H]3c3cccnc3)cc2[N+](=O)[O-])C1 ZINC000561010912 944396003 /nfs/dbraw/zinc/39/60/03/944396003.db2.gz LRIPPIYYFBJQHU-HRAATJIYSA-N 0 0 408.502 4.449 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ncc(-c2ccccn2)s1 ZINC000561027790 944401997 /nfs/dbraw/zinc/40/19/97/944401997.db2.gz VHRYHHUUAKBHDP-SNVBAGLBSA-N 0 0 404.835 4.173 20 5 HIBDRN C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000561071694 944427442 /nfs/dbraw/zinc/42/74/42/944427442.db2.gz ATNRQLNFMDTDGY-HSZRJFAPSA-N 0 0 405.454 4.433 20 5 HIBDRN O=C(N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000561083749 944436510 /nfs/dbraw/zinc/43/65/10/944436510.db2.gz RPKZUZJDEATOMK-DZGCQCFKSA-N 0 0 422.359 4.408 20 5 HIBDRN CC[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000561096756 944447630 /nfs/dbraw/zinc/44/76/30/944447630.db2.gz NXMFWVOFPTUVLW-SUMWQHHRSA-N 0 0 404.488 4.360 20 5 HIBDRN COC(=O)c1ccccc1CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000561108956 944457214 /nfs/dbraw/zinc/45/72/14/944457214.db2.gz BBRJWLFMYYGLMT-UHFFFAOYSA-N 0 0 416.861 4.130 20 5 HIBDRN COc1cc(CNc2ncnc3sc([N+](=O)[O-])cc32)ccc1OCC(F)(F)F ZINC000561133172 944473309 /nfs/dbraw/zinc/47/33/09/944473309.db2.gz CGLHOVDNQBNSGE-UHFFFAOYSA-N 0 0 414.365 4.161 20 5 HIBDRN CC(C)OCCCNC(=O)C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000561137108 944475034 /nfs/dbraw/zinc/47/50/34/944475034.db2.gz PCFMTTVMLKGGAH-UHFFFAOYSA-N 0 0 418.321 4.049 20 5 HIBDRN O=c1[nH]c(N2CCC(c3c[nH]c4cc(F)ccc43)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000561193936 944507782 /nfs/dbraw/zinc/50/77/82/944507782.db2.gz PLWGDENVVWROBL-UHFFFAOYSA-N 0 0 407.405 4.248 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000561262608 944532246 /nfs/dbraw/zinc/53/22/46/944532246.db2.gz VUQNVFJUTHYHIE-UHFFFAOYSA-N 0 0 405.838 4.209 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000561335796 944555045 /nfs/dbraw/zinc/55/50/45/944555045.db2.gz KFKPRSURJSBWEQ-QGZVFWFLSA-N 0 0 409.446 4.152 20 5 HIBDRN O=C(NCc1cc(F)c(F)cc1Br)c1ccc([N+](=O)[O-])cc1Cl ZINC000561343175 944557018 /nfs/dbraw/zinc/55/70/18/944557018.db2.gz IWLVIBBPKVRULH-UHFFFAOYSA-N 0 0 405.582 4.219 20 5 HIBDRN CN(CCC(F)(F)F)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000561344881 944558147 /nfs/dbraw/zinc/55/81/47/944558147.db2.gz AXEPPZBLTGZNJY-AWEZNQCLSA-N 0 0 403.792 4.076 20 5 HIBDRN Cc1cc(C(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)ccc1[N+](=O)[O-] ZINC000561427909 944592710 /nfs/dbraw/zinc/59/27/10/944592710.db2.gz DQDJQGCLMHLDHK-IBGZPJMESA-N 0 0 408.376 4.054 20 5 HIBDRN COc1ccccc1O[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000561583425 944687870 /nfs/dbraw/zinc/68/78/70/944687870.db2.gz CXROZDPUKYAVLT-FUHWJXTLSA-N 0 0 413.474 4.226 20 5 HIBDRN COc1ccccc1O[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000561583427 944688738 /nfs/dbraw/zinc/68/87/38/944688738.db2.gz CXROZDPUKYAVLT-SJLPKXTDSA-N 0 0 413.474 4.226 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000561592672 944693551 /nfs/dbraw/zinc/69/35/51/944693551.db2.gz PKTRCUNKYZECBR-UHFFFAOYSA-N 0 0 421.419 4.270 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)c1[N+](=O)[O-] ZINC000561646103 944724856 /nfs/dbraw/zinc/72/48/56/944724856.db2.gz ZXVIUOMLORYLJU-ZDUSSCGKSA-N 0 0 412.421 4.089 20 5 HIBDRN O=C(NCCCn1cc(Br)cn1)c1cc2ccccc2c2cccnc12 ZINC000561659350 944734094 /nfs/dbraw/zinc/73/40/94/944734094.db2.gz NCIDHLXPWXYWHO-UHFFFAOYSA-N 0 0 409.287 4.167 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000561718591 944761545 /nfs/dbraw/zinc/76/15/45/944761545.db2.gz JZZJKOXHSJOGCN-UHFFFAOYSA-N 0 0 424.198 4.479 20 5 HIBDRN Cc1ccc(-c2noc([C@@H]3CCCN3c3ncnc4sccc43)n2)cc1[N+](=O)[O-] ZINC000561871804 944829997 /nfs/dbraw/zinc/82/99/97/944829997.db2.gz GLINWHXLEGPGEZ-AWEZNQCLSA-N 0 0 408.443 4.299 20 5 HIBDRN COc1cc(-c2nc(-c3ccc(NC(=O)NC(C)C)cc3)no2)cc([N+](=O)[O-])c1C ZINC000561880168 944834007 /nfs/dbraw/zinc/83/40/07/944834007.db2.gz APBUWLVIAKYYHV-UHFFFAOYSA-N 0 0 411.418 4.159 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000561942292 944868927 /nfs/dbraw/zinc/86/89/27/944868927.db2.gz POXOVNDSYVCFIQ-MRXNPFEDSA-N 0 0 404.264 4.114 20 5 HIBDRN O=C1CCC(=O)N1c1cc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F ZINC000561973870 944881822 /nfs/dbraw/zinc/88/18/22/944881822.db2.gz HBIITFQDXQUAIJ-UHFFFAOYSA-N 0 0 409.373 4.259 20 5 HIBDRN CCOc1cccc(N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000562233506 945034308 /nfs/dbraw/zinc/03/43/08/945034308.db2.gz JGIIOURYNMXIJA-OAHLLOKOSA-N 0 0 416.453 4.171 20 5 HIBDRN Cc1c(CNC(=O)N2CCC(c3noc4cc(F)ccc43)CC2)cccc1[N+](=O)[O-] ZINC000562249739 945043765 /nfs/dbraw/zinc/04/37/65/945043765.db2.gz ZUFJXOHZQWFTPR-UHFFFAOYSA-N 0 0 412.421 4.273 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCO[C@@H]3c3cnn(Cc4ccccc4)c3)n2)s1 ZINC000564253855 945470929 /nfs/dbraw/zinc/47/09/29/945470929.db2.gz MCXKAKIECDGFFT-MAUKXSAKSA-N 0 0 423.454 4.196 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000564308964 945509129 /nfs/dbraw/zinc/50/91/29/945509129.db2.gz MCOMPTZGNBZLQE-CYBMUJFWSA-N 0 0 400.410 4.342 20 5 HIBDRN O=C1[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1c1ccccc1Cl ZINC000564336841 945518424 /nfs/dbraw/zinc/51/84/24/945518424.db2.gz BSKVPYDWEGOPLJ-KRWDZBQOSA-N 0 0 411.845 4.403 20 5 HIBDRN Cc1c(NC(=O)C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)cccc1[N+](=O)[O-] ZINC000564408218 945562073 /nfs/dbraw/zinc/56/20/73/945562073.db2.gz CJTCLXQYFOAPKY-SFHVURJKSA-N 0 0 401.422 4.020 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000564503443 945632982 /nfs/dbraw/zinc/63/29/82/945632982.db2.gz DXOMNFKOVHCBGQ-GOSISDBHSA-N 0 0 401.438 4.138 20 5 HIBDRN COc1ccc(Cc2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1OC(F)F ZINC000564762266 945753096 /nfs/dbraw/zinc/75/30/96/945753096.db2.gz RVDNKTBWHVCCQU-JTQLQIEISA-N 0 0 423.347 4.470 20 5 HIBDRN Cc1cc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc(N2CCCC2)n1 ZINC000565110444 945775538 /nfs/dbraw/zinc/77/55/38/945775538.db2.gz DBMPJDSKOJVNPK-UHFFFAOYSA-N 0 0 409.515 4.312 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(-c2nncs2)cc1 ZINC000565125620 945779780 /nfs/dbraw/zinc/77/97/80/945779780.db2.gz CESFXSSCZQNFQP-UHFFFAOYSA-N 0 0 419.260 4.057 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@H]2c3ccccc3O[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000565122666 945779906 /nfs/dbraw/zinc/77/99/06/945779906.db2.gz FGZJPDFRIIKRFD-SMASLZHESA-N 0 0 418.453 4.415 20 5 HIBDRN CCOc1ccc(-n2c(Sc3ccc([N+](=O)[O-])nc3)nnc2-c2ccncc2)cc1 ZINC000565327921 945811993 /nfs/dbraw/zinc/81/19/93/945811993.db2.gz QVVLNCKUHGDOFF-UHFFFAOYSA-N 0 0 420.454 4.182 20 5 HIBDRN COc1ccccc1[C@H]1CC[C@@H](C)CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000565380509 945820569 /nfs/dbraw/zinc/82/05/69/945820569.db2.gz KEFNFGXBONGNSC-TZMCWYRMSA-N 0 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PJHGDQTZRHDHDQ-OALUTQOASA-N 0 0 420.469 4.230 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CC(=O)N(Cc3ccccc3)C2)no1 ZINC000572322919 947884365 /nfs/dbraw/zinc/88/43/65/947884365.db2.gz PJHGDQTZRHDHDQ-RBUKOAKNSA-N 0 0 420.469 4.230 20 5 HIBDRN COc1cc(Cc2noc([C@@H]3C[C@H]3c3cc(F)ccc3F)n2)c([N+](=O)[O-])c(OC)c1 ZINC000572328563 947885982 /nfs/dbraw/zinc/88/59/82/947885982.db2.gz YPOBIZIAJVNNMN-DZGCQCFKSA-N 0 0 417.368 4.135 20 5 HIBDRN COc1ccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c(OC)n1 ZINC000572413096 947896926 /nfs/dbraw/zinc/89/69/26/947896926.db2.gz NLDKSGHIOXYZPA-UHFFFAOYSA-N 0 0 408.458 4.065 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H](C)Cc2cncc3ccccc32)c(C)c([N+](=O)[O-])c1 ZINC000572432488 947902928 /nfs/dbraw/zinc/90/29/28/947902928.db2.gz GKDFYWJNGAGOSB-ZDUSSCGKSA-N 0 0 407.426 4.055 20 5 HIBDRN CCn1c(C)nc([N+](=O)[O-])c1Oc1ccc(C(=O)N2CCc3sccc3C2)cc1 ZINC000572515665 947922525 /nfs/dbraw/zinc/92/25/25/947922525.db2.gz MTVPIGXNJYECKV-UHFFFAOYSA-N 0 0 412.471 4.172 20 5 HIBDRN CC(C)OCc1nc([C@@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)no1 ZINC000572536675 947939273 /nfs/dbraw/zinc/93/92/73/947939273.db2.gz VXPXXZZXPTUHFN-CYBMUJFWSA-N 0 0 402.476 4.482 20 5 HIBDRN C[C@]1(c2ccccc2)CCCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000572627733 947960396 /nfs/dbraw/zinc/96/03/96/947960396.db2.gz HORQECUQCIPMJX-DEOSSOPVSA-N 0 0 423.513 4.015 20 5 HIBDRN CCOc1cc(N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)ccc1[N+](=O)[O-] ZINC000572902514 948033219 /nfs/dbraw/zinc/03/32/19/948033219.db2.gz GCGBFNXAEIBFSJ-KDOFPFPSSA-N 0 0 401.438 4.297 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCCn3c(cc4ccccc43)C2)cc1SC ZINC000572909178 948037102 /nfs/dbraw/zinc/03/71/02/948037102.db2.gz GAAWVPVJLNKZMO-UHFFFAOYSA-N 0 0 411.483 4.326 20 5 HIBDRN COc1ccc([C@H](C)CCNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000572914444 948037777 /nfs/dbraw/zinc/03/77/77/948037777.db2.gz QECHGJPCNQMGBS-OAHLLOKOSA-N 0 0 410.474 4.120 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H](c1ccco1)c1ccccc1 ZINC000572928695 948045348 /nfs/dbraw/zinc/04/53/48/948045348.db2.gz FUWNWXOZHRXEQD-NRFANRHFSA-N 0 0 404.426 4.300 20 5 HIBDRN O=C(CSc1ncccc1[N+](=O)[O-])N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000572993988 948053715 /nfs/dbraw/zinc/05/37/15/948053715.db2.gz HZMBHVZOJSYDTQ-CQSZACIVSA-N 0 0 414.468 4.114 20 5 HIBDRN Cc1cc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nn1-c1ccc(F)cc1F ZINC000573014109 948058653 /nfs/dbraw/zinc/05/86/53/948058653.db2.gz AFELBOGQAQHIKU-UHFFFAOYSA-N 0 0 411.368 4.634 20 5 HIBDRN COc1cc(-c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)ccc1OC[C@@H]1CCCO1 ZINC000573051401 948072166 /nfs/dbraw/zinc/07/21/66/948072166.db2.gz JTSDOZAOKZPVSX-VOCYLRNQSA-N 0 0 423.425 4.382 20 5 HIBDRN COc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)c(OCC(C)C)c1 ZINC000573139128 948085245 /nfs/dbraw/zinc/08/52/45/948085245.db2.gz FMSAHRSVTBKMDD-UHFFFAOYSA-N 0 0 413.430 4.288 20 5 HIBDRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000573223223 948110229 /nfs/dbraw/zinc/11/02/29/948110229.db2.gz MNAXHTWPTPVNBF-KGLIPLIRSA-N 0 0 421.379 4.199 20 5 HIBDRN O=C(Nc1cccc2ocnc21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000573227705 948111549 /nfs/dbraw/zinc/11/15/49/948111549.db2.gz UONGILSEIFLQBA-UHFFFAOYSA-N 0 0 418.196 4.481 20 5 HIBDRN C[C@H](OCC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1nccn1C ZINC000573283420 948140679 /nfs/dbraw/zinc/14/06/79/948140679.db2.gz MVXFKDZZBWMPCM-LBPRGKRZSA-N 0 0 418.500 4.257 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cccc(C(F)(F)F)c1 ZINC000573401383 948184555 /nfs/dbraw/zinc/18/45/55/948184555.db2.gz NZCIIEBVXZBVTQ-UHFFFAOYSA-N 0 0 406.364 4.137 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCCN2c2ncnc3sccc32)n1 ZINC000573603457 948248040 /nfs/dbraw/zinc/24/80/40/948248040.db2.gz ZSXMVTIXIHITOC-HNNXBMFYSA-N 0 0 408.443 4.299 20 5 HIBDRN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000573708417 948279349 /nfs/dbraw/zinc/27/93/49/948279349.db2.gz NXEDMULZLDDENI-FFZOFVMBSA-N 0 0 400.500 4.154 20 5 HIBDRN O=C(Nc1cccc(Cl)c1OCC(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573881565 948318372 /nfs/dbraw/zinc/31/83/72/948318372.db2.gz TXGKSLHCOVQHFK-UHFFFAOYSA-N 0 0 422.775 4.330 20 5 HIBDRN COc1cccc(-c2nc([C@@H](OC)c3ccc(Br)cc3)no2)c1[N+](=O)[O-] ZINC000573960371 948335306 /nfs/dbraw/zinc/33/53/06/948335306.db2.gz XEFVJOFXRRVPGB-HNNXBMFYSA-N 0 0 420.219 4.152 20 5 HIBDRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000574144149 948375986 /nfs/dbraw/zinc/37/59/86/948375986.db2.gz VFFKTJIQIPMKMO-UHFFFAOYSA-N 0 0 422.485 4.130 20 5 HIBDRN CCOC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 ZINC000574343276 948417185 /nfs/dbraw/zinc/41/71/85/948417185.db2.gz ZKYGGMDIHYLNHE-UHFFFAOYSA-N 0 0 421.247 4.024 20 5 HIBDRN Cc1cc(NC(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)ccc1[N+](=O)[O-] ZINC000574435221 948440979 /nfs/dbraw/zinc/44/09/79/948440979.db2.gz PLPRDOCMHSOGRB-ZDUSSCGKSA-N 0 0 413.356 4.150 20 5 HIBDRN CC(=O)c1c(C)[nH]c(C(=O)COc2c(C)cc(Br)cc2[N+](=O)[O-])c1C ZINC000574475384 948452226 /nfs/dbraw/zinc/45/22/26/948452226.db2.gz DLGXXQJZYTYXPI-UHFFFAOYSA-N 0 0 409.236 4.075 20 5 HIBDRN COCC1(c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)CCOCC1 ZINC000574561485 948476408 /nfs/dbraw/zinc/47/64/08/948476408.db2.gz IJPWIRJYYPJGQT-UHFFFAOYSA-N 0 0 411.414 4.132 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000574681338 948504256 /nfs/dbraw/zinc/50/42/56/948504256.db2.gz RLLHKDIURBVJGF-NSHDSACASA-N 0 0 424.284 4.150 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000574721984 948513223 /nfs/dbraw/zinc/51/32/23/948513223.db2.gz LAJWBNIADZCADE-ZDUSSCGKSA-N 0 0 424.831 4.387 20 5 HIBDRN O=C(NC1(c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)CCCC1)c1ccccc1 ZINC000574725055 948513890 /nfs/dbraw/zinc/51/38/90/948513890.db2.gz MUWKSQIGZRVDGM-RAXLEYEMSA-N 0 0 404.426 4.348 20 5 HIBDRN COC(=O)c1c(C)c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000574728342 948516124 /nfs/dbraw/zinc/51/61/24/948516124.db2.gz JBGDWODCNHLRER-UHFFFAOYSA-N 0 0 401.394 4.025 20 5 HIBDRN O=C(Nc1nc2c(s1)CSCC2)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000575080699 948587253 /nfs/dbraw/zinc/58/72/53/948587253.db2.gz ZKKYVIFQSINILX-UHFFFAOYSA-N 0 0 419.406 4.034 20 5 HIBDRN O=C(NCCc1ccc(F)c(F)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000575731177 948688550 /nfs/dbraw/zinc/68/85/50/948688550.db2.gz YFGRBCJXUOAOSW-UHFFFAOYSA-N 0 0 412.392 4.425 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000575884591 948750433 /nfs/dbraw/zinc/75/04/33/948750433.db2.gz LSNDKSZZDFDBEE-ZWWNWMABSA-N 0 0 411.506 4.047 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@@H]4CC(F)(F)[C@H]4C3)c(Cl)nn2)cc1 ZINC001164410580 718872169 /nfs/dbraw/zinc/87/21/69/718872169.db2.gz DKLHPSHRDLIFEO-GWCFXTLKSA-N 0 0 416.762 4.342 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3CC(F)(F)[C@@H]3C2)c(Cl)nn1 ZINC001164411017 718872488 /nfs/dbraw/zinc/87/24/88/718872488.db2.gz LFNCKNYLRXANNZ-JOYOIKCWSA-N 0 0 416.762 4.342 20 5 HIBDRN C[C@@H](Nc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000435931351 861190511 /nfs/dbraw/zinc/19/05/11/861190511.db2.gz VFOUBVSJDQPRTQ-GFCCVEGCSA-N 0 0 419.363 4.238 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](c2ccccc2)C1 ZINC000435931992 861191659 /nfs/dbraw/zinc/19/16/59/861191659.db2.gz AXNNOTDRCSLHOI-HXUWFJFHSA-N 0 0 420.415 4.173 20 5 HIBDRN C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1nc2ccccc2[nH]1 ZINC000435938433 861202689 /nfs/dbraw/zinc/20/26/89/861202689.db2.gz QUNHXHXYPYTEEZ-LBPRGKRZSA-N 0 0 400.413 4.188 20 5 HIBDRN COc1cc(CCNC(=O)c2c(C)c(C)oc2-c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000435941919 861206506 /nfs/dbraw/zinc/20/65/06/861206506.db2.gz MLNCIZQXTHILAX-UHFFFAOYSA-N 0 0 424.453 4.461 20 5 HIBDRN CCn1ccnc1[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000435998962 861284151 /nfs/dbraw/zinc/28/41/51/861284151.db2.gz WVWRHPIWFLUFFZ-JOCHJYFZSA-N 0 0 414.509 4.125 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000436000493 861285821 /nfs/dbraw/zinc/28/58/21/861285821.db2.gz MBOOWGPRDHYZJP-HAQNSBGRSA-N 0 0 423.238 4.181 20 5 HIBDRN COc1cccc(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1[N+](=O)[O-] ZINC000436010044 861301303 /nfs/dbraw/zinc/30/13/03/861301303.db2.gz YZVHTYKBLACFIG-OAHLLOKOSA-N 0 0 423.494 4.262 20 5 HIBDRN Cc1c(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1F ZINC000436012057 861302106 /nfs/dbraw/zinc/30/21/06/861302106.db2.gz SKUBLAFFDHYJBG-LLVKDONJSA-N 0 0 417.828 4.321 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000436019178 861309346 /nfs/dbraw/zinc/30/93/46/861309346.db2.gz MJLCVOKGNNHULZ-UHFFFAOYSA-N 0 0 419.684 4.428 20 5 HIBDRN COc1cccc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1[N+](=O)[O-] 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C[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000011026691 845745118 /nfs/dbraw/zinc/74/51/18/845745118.db2.gz UKWZLVFYJSTZBS-SECBINFHSA-N 0 0 416.739 4.451 20 5 HIBDRN C[C@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000011028333 845745611 /nfs/dbraw/zinc/74/56/11/845745611.db2.gz GEUIEMMVCXZWKL-VIFPVBQESA-N 0 0 415.204 4.154 20 5 HIBDRN O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000011119598 845756696 /nfs/dbraw/zinc/75/66/96/845756696.db2.gz GHSOAOYBOMCLJY-UHFFFAOYSA-N 0 0 417.632 4.279 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000011132172 845758482 /nfs/dbraw/zinc/75/84/82/845758482.db2.gz JTBDLGYZPWNSAL-FQEVSTJZSA-N 0 0 406.394 4.140 20 5 HIBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000011147419 845759657 /nfs/dbraw/zinc/75/96/57/845759657.db2.gz MVVHYBXVRGIPKA-SECBINFHSA-N 0 0 422.319 4.164 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000011182945 845763698 /nfs/dbraw/zinc/76/36/98/845763698.db2.gz NUHULVNZIYPYJZ-UHFFFAOYSA-N 0 0 405.366 4.295 20 5 HIBDRN COc1cc(COC(=O)CCc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OC(F)F ZINC000011261163 845773763 /nfs/dbraw/zinc/77/37/63/845773763.db2.gz MPJVMEWUSRMVHL-UHFFFAOYSA-N 0 0 420.368 4.362 20 5 HIBDRN O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Sc1ccccc1 ZINC000011469013 845800293 /nfs/dbraw/zinc/80/02/93/845800293.db2.gz GWJURDKBXDKQFX-UHFFFAOYSA-N 0 0 422.462 4.470 20 5 HIBDRN COc1ccc(-c2cc(COC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)on2)cc1 ZINC000011510717 845805702 /nfs/dbraw/zinc/80/57/02/845805702.db2.gz FCXXIJWAERHHDM-CYBMUJFWSA-N 0 0 414.439 4.482 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000011545099 845810468 /nfs/dbraw/zinc/81/04/68/845810468.db2.gz OWPOMBCMTFVVFD-UHFFFAOYSA-N 0 0 422.171 4.346 20 5 HIBDRN Cc1ccc(-c2cnc(CCC(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000011644872 845820565 /nfs/dbraw/zinc/82/05/65/845820565.db2.gz POUIEMIVTXXUDO-OAHLLOKOSA-N 0 0 423.425 4.061 20 5 HIBDRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000011705680 845826728 /nfs/dbraw/zinc/82/67/28/845826728.db2.gz QPAFIJUHDMSDJX-QGZVFWFLSA-N 0 0 404.850 4.136 20 5 HIBDRN O=C(CSc1nnc(CCC2CCCC2)[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012104505 845854414 /nfs/dbraw/zinc/85/44/14/845854414.db2.gz HMNMUPWOVWMBDK-UHFFFAOYSA-N 0 0 409.899 4.220 20 5 HIBDRN O=C(CSc1nnc(-c2ccccc2F)o1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012178117 845858055 /nfs/dbraw/zinc/85/80/55/845858055.db2.gz LKVIPAMWELHELK-UHFFFAOYSA-N 0 0 408.798 4.168 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000012226513 845860618 /nfs/dbraw/zinc/86/06/18/845860618.db2.gz KTKZZXGGYMYVES-UHFFFAOYSA-N 0 0 423.347 4.223 20 5 HIBDRN C[C@@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000012257528 845863252 /nfs/dbraw/zinc/86/32/52/845863252.db2.gz NRDOGVKQMLGUNG-MRVPVSSYSA-N 0 0 417.413 4.149 20 5 HIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000012620315 845879279 /nfs/dbraw/zinc/87/92/79/845879279.db2.gz RUFXOUZDGBPLLL-CYBMUJFWSA-N 0 0 407.835 4.432 20 5 HIBDRN O=C(N[C@@H]1CCSc2c(F)cccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012621835 845880443 /nfs/dbraw/zinc/88/04/43/845880443.db2.gz HGSVRBCMALMARK-QGZVFWFLSA-N 0 0 415.490 4.304 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1 ZINC000012861267 845895528 /nfs/dbraw/zinc/89/55/28/845895528.db2.gz SOAOKMSYQZPJOV-QGZVFWFLSA-N 0 0 402.472 4.130 20 5 HIBDRN CC[C@H](C)c1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000012906523 845897277 /nfs/dbraw/zinc/89/72/77/845897277.db2.gz PDAWNGMKDLHRDZ-LSDHHAIUSA-N 0 0 400.431 4.058 20 5 HIBDRN O=C(NC1CC1)c1ccc(N2CCC(c3c[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000014319805 845936601 /nfs/dbraw/zinc/93/66/01/845936601.db2.gz ZOFFQDOLRMSBSZ-UHFFFAOYSA-N 0 0 404.470 4.352 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)Oc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000014474447 845952206 /nfs/dbraw/zinc/95/22/06/845952206.db2.gz QHXUOOJIQDEIDT-UHFFFAOYSA-N 0 0 406.423 4.247 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](C)Oc3ccc(Br)cc32)cc([N+](=O)[O-])c1C ZINC000436321113 861624530 /nfs/dbraw/zinc/62/45/30/861624530.db2.gz JIBAVPZAPZAJGH-JTQLQIEISA-N 0 0 421.247 4.102 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)cc1 ZINC000014830264 845984075 /nfs/dbraw/zinc/98/40/75/845984075.db2.gz KVRAYGODNVKJHV-UHFFFAOYSA-N 0 0 421.409 4.117 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000015129457 846012069 /nfs/dbraw/zinc/01/20/69/846012069.db2.gz DKKSBWKGKQVZIP-ZDUSSCGKSA-N 0 0 411.911 4.452 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(NC[C@@H]2CCCO2)s1 ZINC000015140905 846013461 /nfs/dbraw/zinc/01/34/61/846013461.db2.gz QRFZFTCKFNDNSD-VIFPVBQESA-N 0 0 406.411 4.207 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015170301 846015139 /nfs/dbraw/zinc/01/51/39/846015139.db2.gz HSJBFRAIGOFJIN-UHFFFAOYSA-N 0 0 417.771 4.351 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C3SCCS3)c2)c1C ZINC000015246322 846022835 /nfs/dbraw/zinc/02/28/35/846022835.db2.gz ZVUFUBUUSTYXEJ-UHFFFAOYSA-N 0 0 410.542 4.491 20 5 HIBDRN O=C(CCSc1ccc(Cl)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015381786 846042271 /nfs/dbraw/zinc/04/22/71/846042271.db2.gz SXFSTBBBKLSBIG-UHFFFAOYSA-N 0 0 405.907 4.079 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000015548282 846062001 /nfs/dbraw/zinc/06/20/01/846062001.db2.gz KNEUUGIZJFREGZ-IBGZPJMESA-N 0 0 403.866 4.423 20 5 HIBDRN O=C(c1ccc(SC(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000015607518 846072208 /nfs/dbraw/zinc/07/22/08/846072208.db2.gz FOUHTKCEELQJBO-UHFFFAOYSA-N 0 0 411.405 4.169 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(SC)ccc2Cl)c([N+](=O)[O-])c1 ZINC000015702916 846085512 /nfs/dbraw/zinc/08/55/12/846085512.db2.gz SYXLCUYGZFGMNA-JTQLQIEISA-N 0 0 424.862 4.163 20 5 HIBDRN C[C@H](OC(=O)c1c2ccccc2cc2ccccc21)C(=O)Nc1sccc1C(N)=O ZINC000015798032 846093250 /nfs/dbraw/zinc/09/32/50/846093250.db2.gz DWPQFMOALJZTDD-ZDUSSCGKSA-N 0 0 418.474 4.337 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000015997013 846109131 /nfs/dbraw/zinc/10/91/31/846109131.db2.gz LOGQAJVDPSNZNR-LBPRGKRZSA-N 0 0 424.284 4.229 20 5 HIBDRN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000016002494 846110406 /nfs/dbraw/zinc/11/04/06/846110406.db2.gz KZFJRGPXIWYVLW-OAQYLSRUSA-N 0 0 424.478 4.461 20 5 HIBDRN O=C(CSc1nccn1-c1cccc(Cl)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000016121051 846126661 /nfs/dbraw/zinc/12/66/61/846126661.db2.gz UMOCPXWLUOOPMM-UHFFFAOYSA-N 0 0 414.874 4.115 20 5 HIBDRN COc1cc(CCNC(=O)c2sc3cccc(F)c3c2C)c([N+](=O)[O-])cc1OC ZINC000016143797 846129727 /nfs/dbraw/zinc/12/97/27/846129727.db2.gz RFDPIUNVRGSZJR-UHFFFAOYSA-N 0 0 418.446 4.247 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000016195969 846136007 /nfs/dbraw/zinc/13/60/07/846136007.db2.gz FTVPOKOEEZQUEX-UHFFFAOYSA-N 0 0 415.254 4.419 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000016231746 846140511 /nfs/dbraw/zinc/14/05/11/846140511.db2.gz LQLZOOYANSJGKL-UHFFFAOYSA-N 0 0 405.907 4.241 20 5 HIBDRN COCCOc1ccc(F)cc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436335318 861643897 /nfs/dbraw/zinc/64/38/97/861643897.db2.gz AZACULKKVVTMOY-UHFFFAOYSA-N 0 0 406.413 4.098 20 5 HIBDRN CCn1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000016402574 846165998 /nfs/dbraw/zinc/16/59/98/846165998.db2.gz KOZCNXJAMOJVFB-UHFFFAOYSA-N 0 0 401.806 4.018 20 5 HIBDRN Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000017048750 846228642 /nfs/dbraw/zinc/22/86/42/846228642.db2.gz XRKCHRWOXIBQGP-GJZGRUSLSA-N 0 0 402.472 4.263 20 5 HIBDRN CCOc1ccc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000017291282 846240280 /nfs/dbraw/zinc/24/02/80/846240280.db2.gz USJBQFDQLBNKCQ-CYBMUJFWSA-N 0 0 414.487 4.235 20 5 HIBDRN Cc1ccc([C@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2cccs2)cc1 ZINC000017528000 846257609 /nfs/dbraw/zinc/25/76/09/846257609.db2.gz KXPCHHSWQBJYMW-NRFANRHFSA-N 0 0 424.478 4.336 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2[N+](=O)[O-])CC1 ZINC000017605347 846261328 /nfs/dbraw/zinc/26/13/28/846261328.db2.gz XJQWRNJVSINHAB-UHFFFAOYSA-N 0 0 422.485 4.210 20 5 HIBDRN C[C@H](Oc1cccc(Cl)c1)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017747867 846268434 /nfs/dbraw/zinc/26/84/34/846268434.db2.gz YJBXYNBKMRRKIM-RYUDHWBXSA-N 0 0 417.805 4.370 20 5 HIBDRN Cc1ccc(-c2nc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cs2)cc1 ZINC000017939639 846279200 /nfs/dbraw/zinc/27/92/00/846279200.db2.gz AALNIENIMKPOBW-UHFFFAOYSA-N 0 0 422.422 4.434 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000018004456 846283415 /nfs/dbraw/zinc/28/34/15/846283415.db2.gz DHTGSTUCXFZPNF-UHFFFAOYSA-N 0 0 416.286 4.454 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000018004326 846283930 /nfs/dbraw/zinc/28/39/30/846283930.db2.gz CSEPALOVBKKQAH-UHFFFAOYSA-N 0 0 410.257 4.393 20 5 HIBDRN C[C@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000018025000 846287701 /nfs/dbraw/zinc/28/77/01/846287701.db2.gz RQYWCSZRHDMAPS-ZDUSSCGKSA-N 0 0 413.817 4.223 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000018088047 846293964 /nfs/dbraw/zinc/29/39/64/846293964.db2.gz UGPURSUIWUZHEZ-QGZVFWFLSA-N 0 0 407.264 4.493 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000018182873 846306436 /nfs/dbraw/zinc/30/64/36/846306436.db2.gz NRSLBZKKWDXMNP-UHFFFAOYSA-N 0 0 414.439 4.095 20 5 HIBDRN COc1ccc2cc([C@H](C)C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000018441871 846326479 /nfs/dbraw/zinc/32/64/79/846326479.db2.gz ZNYIUHPAIXHKHM-GJZGRUSLSA-N 0 0 422.437 4.431 20 5 HIBDRN COc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)ccc2c1 ZINC000018441533 846326832 /nfs/dbraw/zinc/32/68/32/846326832.db2.gz JCVCQKVZSQVUMM-HNNXBMFYSA-N 0 0 422.437 4.350 20 5 HIBDRN C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)Nc1cccnc1Cl ZINC000018456675 846327270 /nfs/dbraw/zinc/32/72/70/846327270.db2.gz NAFGCPRFCYSPBH-NSHDSACASA-N 0 0 405.838 4.125 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000018456642 846327652 /nfs/dbraw/zinc/32/76/52/846327652.db2.gz ZNTSTGQNVIWAFL-CYBMUJFWSA-N 0 0 400.431 4.085 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000436348983 861665555 /nfs/dbraw/zinc/66/55/55/861665555.db2.gz BICUEECUHAPPMQ-QFIPXVFZSA-N 0 0 402.425 4.034 20 5 HIBDRN C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1cccnc1Cl ZINC000018591109 846333834 /nfs/dbraw/zinc/33/38/34/846333834.db2.gz SAXACXBUSJAUKI-LBPRGKRZSA-N 0 0 424.913 4.254 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000018656654 846335363 /nfs/dbraw/zinc/33/53/63/846335363.db2.gz VACJVUXWBOOBET-SNVBAGLBSA-N 0 0 414.361 4.391 20 5 HIBDRN CCOc1ccc(NC(=O)COC(=O)c2cc3cc(Cl)ccc3o2)c([N+](=O)[O-])c1 ZINC000018750790 846339462 /nfs/dbraw/zinc/33/94/62/846339462.db2.gz GJHMURYOOSVBMC-UHFFFAOYSA-N 0 0 418.789 4.189 20 5 HIBDRN O=[N+]([O-])c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000018903437 846345148 /nfs/dbraw/zinc/34/51/48/846345148.db2.gz ROABBLIRPHCCAR-UHFFFAOYSA-N 0 0 404.394 4.269 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1nccnc1-c1nc2ccccc2s1 ZINC000019233818 846359644 /nfs/dbraw/zinc/35/96/44/846359644.db2.gz KCWRUGBPYCMSLL-UHFFFAOYSA-N 0 0 422.422 4.027 20 5 HIBDRN CC(C)(C)c1ccc(COC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 ZINC000019355949 846364220 /nfs/dbraw/zinc/36/42/20/846364220.db2.gz XWTXFBYNJXGLSE-UHFFFAOYSA-N 0 0 412.442 4.324 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1OC ZINC000019358343 846364449 /nfs/dbraw/zinc/36/44/49/846364449.db2.gz YYRCTINLYAOSCO-NSHDSACASA-N 0 0 423.263 4.256 20 5 HIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000020115800 846380672 /nfs/dbraw/zinc/38/06/72/846380672.db2.gz NUENYMFUSBQCMS-SDNWHVSQSA-N 0 0 401.422 4.177 20 5 HIBDRN O=C1c2ccccc2N[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc2c(c1)OCCO2 ZINC000020915933 846394485 /nfs/dbraw/zinc/39/44/85/846394485.db2.gz WMUDVAWEUVHDGU-NRFANRHFSA-N 0 0 403.394 4.137 20 5 HIBDRN C[C@H](Sc1nnc(-c2cccc(Br)c2)n1N)c1cccc([N+](=O)[O-])c1 ZINC000020985840 846398307 /nfs/dbraw/zinc/39/83/07/846398307.db2.gz AMHDHXJFDNMUOC-JTQLQIEISA-N 0 0 420.292 4.183 20 5 HIBDRN C[C@@H](Sc1nnc(-c2cccc(Br)c2)n1N)c1cccc([N+](=O)[O-])c1 ZINC000020985837 846398321 /nfs/dbraw/zinc/39/83/21/846398321.db2.gz AMHDHXJFDNMUOC-SNVBAGLBSA-N 0 0 420.292 4.183 20 5 HIBDRN Cc1cc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F ZINC000021068035 846402756 /nfs/dbraw/zinc/40/27/56/846402756.db2.gz SKJQNTRXYYTVND-UHFFFAOYSA-N 0 0 402.369 4.470 20 5 HIBDRN Cc1sc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nc1-c1ccc(F)cc1 ZINC000021189352 846414533 /nfs/dbraw/zinc/41/45/33/846414533.db2.gz AFNONYLEQYYFPM-UHFFFAOYSA-N 0 0 415.402 4.189 20 5 HIBDRN C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000021228430 846419941 /nfs/dbraw/zinc/41/99/41/846419941.db2.gz PWYIHSBZGWVDPQ-NSHDSACASA-N 0 0 418.858 4.497 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nccn1-c1cccc(Cl)c1 ZINC000021421932 846440069 /nfs/dbraw/zinc/44/00/69/846440069.db2.gz XHEGKDRTOBQGSD-UHFFFAOYSA-N 0 0 418.862 4.173 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000436357323 861684708 /nfs/dbraw/zinc/68/47/08/861684708.db2.gz IIPUAGYMCBJSDQ-CQSZACIVSA-N 0 0 405.735 4.379 20 5 HIBDRN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000436354372 861679649 /nfs/dbraw/zinc/67/96/49/861679649.db2.gz QCFWPZVVSMNPEO-FQEVSTJZSA-N 0 0 417.487 4.056 20 5 HIBDRN C[C@H](Sc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021676303 846482037 /nfs/dbraw/zinc/48/20/37/846482037.db2.gz FIXYNJPOLUEAPK-JTQLQIEISA-N 0 0 412.826 4.050 20 5 HIBDRN C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021739522 846489744 /nfs/dbraw/zinc/48/97/44/846489744.db2.gz BZNWRTXSWZIGCR-LLVKDONJSA-N 0 0 407.521 4.310 20 5 HIBDRN Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])n1C ZINC000021753369 846491734 /nfs/dbraw/zinc/49/17/34/846491734.db2.gz MDOAKFJRXQVZLI-UHFFFAOYSA-N 0 0 417.878 4.083 20 5 HIBDRN Cc1ccc(C)c(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000021769948 846493749 /nfs/dbraw/zinc/49/37/49/846493749.db2.gz ZBRAEPLJDSCFPP-INIZCTEOSA-N 0 0 412.442 4.053 20 5 HIBDRN Cc1cc(=O)c(C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccccc1[N+](=O)[O-] ZINC000021888184 846506613 /nfs/dbraw/zinc/50/66/13/846506613.db2.gz ZYDADOXFLPHAOO-UHFFFAOYSA-N 0 0 419.224 4.008 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(C)c(O)c2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000022002693 846519211 /nfs/dbraw/zinc/51/92/11/846519211.db2.gz MRIQOGRAYKZEAN-OAQYLSRUSA-N 0 0 420.421 4.454 20 5 HIBDRN C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)c1cccc([N+](=O)[O-])c1 ZINC000022043523 846524491 /nfs/dbraw/zinc/52/44/91/846524491.db2.gz JKCYCIGBXCQLAB-JTQLQIEISA-N 0 0 407.402 4.022 20 5 HIBDRN COC(=O)c1ccc(Cl)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000022093383 846530633 /nfs/dbraw/zinc/53/06/33/846530633.db2.gz SMZDEFWIJNKXCQ-UHFFFAOYSA-N 0 0 420.852 4.233 20 5 HIBDRN CC[C@@H](NC(=O)COC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000022161030 846538905 /nfs/dbraw/zinc/53/89/05/846538905.db2.gz YZMUIFUKONVOPG-OAHLLOKOSA-N 0 0 422.890 4.394 20 5 HIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)cc1[N+](=O)[O-] ZINC000022162519 846538936 /nfs/dbraw/zinc/53/89/36/846538936.db2.gz GDUPZRNKQHSAHM-KGLIPLIRSA-N 0 0 414.483 4.230 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Nc2cccc(F)c2)s1 ZINC000022171253 846540050 /nfs/dbraw/zinc/54/00/50/846540050.db2.gz NHXXVEBXZYNANH-UHFFFAOYSA-N 0 0 419.463 4.368 20 5 HIBDRN CCn1c(SCC(=O)NCc2ccc(F)cc2)nc2cc3ccccc3cc2c1=O ZINC000022177993 846540591 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CMTBVWYEWBQIMK-BRADTZPFSA-N 0 0 422.393 4.127 20 5 HIBDRN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)OC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000022550484 846586041 /nfs/dbraw/zinc/58/60/41/846586041.db2.gz CMTBVWYEWBQIMK-TZIYXEQSSA-N 0 0 422.393 4.127 20 5 HIBDRN Cn1c(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)nc2cc(Cl)ccc21 ZINC000436361906 861695115 /nfs/dbraw/zinc/69/51/15/861695115.db2.gz NYMAWSGSILTZTI-UHFFFAOYSA-N 0 0 402.841 4.474 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)CCCc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] ZINC000022574440 846589443 /nfs/dbraw/zinc/58/94/43/846589443.db2.gz FDSUKABCTRCNKW-OAHLLOKOSA-N 0 0 409.442 4.278 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000022668642 846599600 /nfs/dbraw/zinc/59/96/00/846599600.db2.gz XDGZTHQXHIAZGM-QWRGUYRKSA-N 0 0 411.241 4.324 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000023055445 846654376 /nfs/dbraw/zinc/65/43/76/846654376.db2.gz RNJLYVPKFFCKCX-UHFFFAOYSA-N 0 0 412.405 4.404 20 5 HIBDRN 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QWFFTUDPFPLJFX-CQSZACIVSA-N 0 0 405.735 4.379 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000025297087 846954528 /nfs/dbraw/zinc/95/45/28/846954528.db2.gz CIEICEGVWHOSBE-ZDUSSCGKSA-N 0 0 405.401 4.287 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)c([N+](=O)[O-])cc1OC ZINC000025298488 846955014 /nfs/dbraw/zinc/95/50/14/846955014.db2.gz IPBHFIJOFSSGBN-NSHDSACASA-N 0 0 410.373 4.095 20 5 HIBDRN CC(=O)Nc1ccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000025327634 846960230 /nfs/dbraw/zinc/96/02/30/846960230.db2.gz IOCLZQPBKLQMTK-UHFFFAOYSA-N 0 0 418.453 4.095 20 5 HIBDRN Cc1nc(NC(=O)[C@@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc1C ZINC000025374850 846970313 /nfs/dbraw/zinc/97/03/13/846970313.db2.gz NRYBHDXFLGTFIP-SECBINFHSA-N 0 0 405.457 4.067 20 5 HIBDRN Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000025374975 846970469 /nfs/dbraw/zinc/97/04/69/846970469.db2.gz RZGRSBPTVKFGGR-AWEZNQCLSA-N 0 0 412.467 4.022 20 5 HIBDRN O=C(CSc1nccn1-c1cccc(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000025408940 846973721 /nfs/dbraw/zinc/97/37/21/846973721.db2.gz MTSRLWIQIFYHQH-UHFFFAOYSA-N 0 0 414.874 4.115 20 5 HIBDRN CNC(=O)c1cccc(CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1 ZINC000025564862 847002733 /nfs/dbraw/zinc/00/27/33/847002733.db2.gz FBVGAYVPFJSIIO-UHFFFAOYSA-N 0 0 415.515 4.023 20 5 HIBDRN CC(C)(C)c1csc([C@@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CCO2)n1 ZINC000436398993 861745547 /nfs/dbraw/zinc/74/55/47/861745547.db2.gz WOEOIJLNWJCOFZ-LBPRGKRZSA-N 0 0 416.425 4.341 20 5 HIBDRN O=C(Nc1ccc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1)c1ccncc1 ZINC000436399643 861745735 /nfs/dbraw/zinc/74/57/35/861745735.db2.gz ZBNUKCFSNZDZFN-UHFFFAOYSA-N 0 0 417.347 4.268 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1ccc(C(F)(F)F)cc1 ZINC000025802284 847039326 /nfs/dbraw/zinc/03/93/26/847039326.db2.gz MLRCOXNFQMPDSB-UHFFFAOYSA-N 0 0 424.331 4.045 20 5 HIBDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000025919178 847056782 /nfs/dbraw/zinc/05/67/82/847056782.db2.gz VSBGTZBTOOHVMK-OAHLLOKOSA-N 0 0 407.474 4.306 20 5 HIBDRN COc1cccc(-c2nc(COC(=O)c3c(C)cccc3[N+](=O)[O-])cs2)c1OC ZINC000026118704 847089043 /nfs/dbraw/zinc/08/90/43/847089043.db2.gz QSURZJRQKRHNOJ-UHFFFAOYSA-N 0 0 414.439 4.401 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000026118797 847090136 /nfs/dbraw/zinc/09/01/36/847090136.db2.gz PWONRZIKPAEZTE-NSHDSACASA-N 0 0 411.241 4.244 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)OCC(=O)N[C@@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000026342390 847127956 /nfs/dbraw/zinc/12/79/56/847127956.db2.gz AAOFKTJETLIVGN-NRFANRHFSA-N 0 0 410.470 4.317 20 5 HIBDRN Cc1ccc([C@H](NC(=O)CN(C)Cc2ccccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000026347950 847130329 /nfs/dbraw/zinc/13/03/29/847130329.db2.gz GULHMLOUWNRGHW-QFIPXVFZSA-N 0 0 409.511 4.302 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nnc(-c2ccccc2C)o1 ZINC000026352750 847131543 /nfs/dbraw/zinc/13/15/43/847131543.db2.gz BXWYWDDOAIYQMM-UHFFFAOYSA-N 0 0 414.443 4.083 20 5 HIBDRN CCOc1cc(Br)c(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000026360075 847133609 /nfs/dbraw/zinc/13/36/09/847133609.db2.gz PODUNGBXKRZKMC-UHFFFAOYSA-N 0 0 423.263 4.336 20 5 HIBDRN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000026543093 847166792 /nfs/dbraw/zinc/16/67/92/847166792.db2.gz APJAMRSRWBIHAH-UHFFFAOYSA-N 0 0 418.496 4.369 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000026678587 847184689 /nfs/dbraw/zinc/18/46/89/847184689.db2.gz FJSNIBBPIHANSW-UHFFFAOYSA-N 0 0 423.372 4.052 20 5 HIBDRN C[C@@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000026685100 847186125 /nfs/dbraw/zinc/18/61/25/847186125.db2.gz MRKICLNFHOBESV-CYBMUJFWSA-N 0 0 400.435 4.098 20 5 HIBDRN CCOc1cc(C(=O)Nc2nc3c(cc(C)cc3C)s2)c([N+](=O)[O-])cc1OC ZINC000026766192 847194581 /nfs/dbraw/zinc/19/45/81/847194581.db2.gz OFAAVZJEZULIFP-UHFFFAOYSA-N 0 0 401.444 4.481 20 5 HIBDRN CC(C)NC(=O)c1ccc(NCc2cccc(NC(=O)C3CCC3)c2)c([N+](=O)[O-])c1 ZINC000026775260 847195461 /nfs/dbraw/zinc/19/54/61/847195461.db2.gz QZKOCTXAZVSINR-UHFFFAOYSA-N 0 0 410.474 4.084 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3ccc(F)cc3s2)cccc1[N+](=O)[O-] ZINC000026817985 847202212 /nfs/dbraw/zinc/20/22/12/847202212.db2.gz FCOODPYMGLRCKR-NSHDSACASA-N 0 0 402.403 4.441 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2C2CC2)cccc1[N+](=O)[O-] ZINC000026830492 847203732 /nfs/dbraw/zinc/20/37/32/847203732.db2.gz NUCOVEVRDKXGFG-ZDUSSCGKSA-N 0 0 424.486 4.011 20 5 HIBDRN Cc1cccc(N(Cc2ccccc2)C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000026904233 847219802 /nfs/dbraw/zinc/21/98/02/847219802.db2.gz QZWJGRAUJHXLHX-UHFFFAOYSA-N 0 0 417.465 4.257 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000027007373 847233850 /nfs/dbraw/zinc/23/38/50/847233850.db2.gz KPMKAQRABCDJBR-HUUCEWRRSA-N 0 0 422.437 4.179 20 5 HIBDRN COC(=O)CCc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000436417340 861771719 /nfs/dbraw/zinc/77/17/19/861771719.db2.gz FHLUFXYYXFQXEP-UHFFFAOYSA-N 0 0 418.424 4.178 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2csc(-c3cccs3)n2)cccc1[N+](=O)[O-] ZINC000027235646 847271285 /nfs/dbraw/zinc/27/12/85/847271285.db2.gz WSRPWTNSYBQSAB-NSHDSACASA-N 0 0 417.468 4.272 20 5 HIBDRN O=C(COc1ccc(F)cc1Br)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000027313536 847282742 /nfs/dbraw/zinc/28/27/42/847282742.db2.gz ZYIPUJLHPOIDJL-UHFFFAOYSA-N 0 0 403.591 4.167 20 5 HIBDRN O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000027344294 847286653 /nfs/dbraw/zinc/28/66/53/847286653.db2.gz ZEYWTHFERFIKHW-HSZRJFAPSA-N 0 0 416.481 4.097 20 5 HIBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000027533091 847316735 /nfs/dbraw/zinc/31/67/35/847316735.db2.gz FFRWWNJFEDXTGV-UHFFFAOYSA-N 0 0 421.885 4.408 20 5 HIBDRN COc1cc(C(=O)NC[C@H](c2ccccc2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000027630297 847330515 /nfs/dbraw/zinc/33/05/15/847330515.db2.gz ZFLRXZQFUOEQHW-HNNXBMFYSA-N 0 0 408.401 4.374 20 5 HIBDRN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000028242657 847398827 /nfs/dbraw/zinc/39/88/27/847398827.db2.gz RLKFNQXVWSCUCM-UHFFFAOYSA-N 0 0 422.459 4.109 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000028328707 847407602 /nfs/dbraw/zinc/40/76/02/847407602.db2.gz CTJRWDWTNLTDIT-KSSFIOAISA-N 0 0 414.483 4.210 20 5 HIBDRN O=c1c2ccccc2nc(SCc2cccc([N+](=O)[O-])c2)n1Cc1cccnc1 ZINC000028343691 847409422 /nfs/dbraw/zinc/40/94/22/847409422.db2.gz RBIQEWBOSJDHHS-UHFFFAOYSA-N 0 0 404.451 4.040 20 5 HIBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000028366805 847411544 /nfs/dbraw/zinc/41/15/44/847411544.db2.gz NDQMTMSDRWGFEL-UHFFFAOYSA-N 0 0 408.741 4.124 20 5 HIBDRN O=C(Nc1nnc(Cc2ccccc2)s1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000028604917 847435176 /nfs/dbraw/zinc/43/51/76/847435176.db2.gz HIHYWXKEPCHNSO-UHFFFAOYSA-N 0 0 423.498 4.280 20 5 HIBDRN C[C@H](OC(=O)/C=C/c1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000028670168 847442732 /nfs/dbraw/zinc/44/27/32/847442732.db2.gz DOEJAZNLIXDBDY-LAHYYIKRSA-N 0 0 409.225 4.485 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1 ZINC000028677998 847446273 /nfs/dbraw/zinc/44/62/73/847446273.db2.gz DTKHXMSMVYUMKM-LBPRGKRZSA-N 0 0 406.533 4.257 20 5 HIBDRN Cc1cc(C)c(OCC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000028696775 847450017 /nfs/dbraw/zinc/45/00/17/847450017.db2.gz ZQBXDTAQSSWTCR-CQSZACIVSA-N 0 0 420.849 4.123 20 5 HIBDRN Cc1ccc(C=Cc2nc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n[nH]2)o1 ZINC000028889404 847472586 /nfs/dbraw/zinc/47/25/86/847472586.db2.gz BNNLCSSAIUDQNW-LXKVQUBZSA-N 0 0 413.459 4.212 20 5 HIBDRN Cc1ccc2c(CC(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)coc2c1 ZINC000028937132 847481915 /nfs/dbraw/zinc/48/19/15/847481915.db2.gz SJOKCDFGOLCLQW-LBPRGKRZSA-N 0 0 416.817 4.416 20 5 HIBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@H](C)c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000029070851 847500193 /nfs/dbraw/zinc/50/01/93/847500193.db2.gz CSQXUZCXSXYGJH-HUUCEWRRSA-N 0 0 421.453 4.212 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000029097659 847504842 /nfs/dbraw/zinc/50/48/42/847504842.db2.gz FFNBVWPVPSCDPA-SJORKVTESA-N 0 0 417.465 4.258 20 5 HIBDRN CNc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1[N+](=O)[O-] ZINC000029147079 847514348 /nfs/dbraw/zinc/51/43/48/847514348.db2.gz VQKKDRQOYSTQJJ-UHFFFAOYSA-N 0 0 414.443 4.030 20 5 HIBDRN CN(Cc1ccc(Br)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000029162577 847516886 /nfs/dbraw/zinc/51/68/86/847516886.db2.gz KHKPBGFGLQBTSK-UHFFFAOYSA-N 0 0 418.291 4.230 20 5 HIBDRN CN(C(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000029273194 847536426 /nfs/dbraw/zinc/53/64/26/847536426.db2.gz WWZSHGDIWJIHAU-UHFFFAOYSA-N 0 0 404.422 4.011 20 5 HIBDRN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccnn1Cc1ccccc1Cl ZINC000029421993 847562869 /nfs/dbraw/zinc/56/28/69/847562869.db2.gz JFHZOLXVDZLFPT-UHFFFAOYSA-N 0 0 421.240 4.164 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000029516588 847572455 /nfs/dbraw/zinc/57/24/55/847572455.db2.gz FTFDNWVFIUSTSO-HZPDHXFCSA-N 0 0 409.486 4.010 20 5 HIBDRN CCCCn1c(C)c(C)nc1SCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000029626852 847591031 /nfs/dbraw/zinc/59/10/31/847591031.db2.gz HQFUQLJEMDNAIA-UHFFFAOYSA-N 0 0 406.508 4.338 20 5 HIBDRN Cc1nc(-c2ccc([C@@H](C)NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000030008023 847668850 /nfs/dbraw/zinc/66/88/50/847668850.db2.gz IRLOCHVQKKHMTL-GFCCVEGCSA-N 0 0 403.485 4.066 20 5 HIBDRN Cc1ncc2c(n1)CC[C@@H](NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)C2 ZINC000030389003 847710908 /nfs/dbraw/zinc/71/09/08/847710908.db2.gz XHYMZEAUZRHNJM-QGZVFWFLSA-N 0 0 414.531 4.119 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000030392618 847710979 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20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000031264855 847854203 /nfs/dbraw/zinc/85/42/03/847854203.db2.gz LZECVSPRYFRHHN-KSSFIOAISA-N 0 0 402.472 4.272 20 5 HIBDRN O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031370387 847869435 /nfs/dbraw/zinc/86/94/35/847869435.db2.gz YTACVQHVSKECCJ-UHFFFAOYSA-N 0 0 423.429 4.219 20 5 HIBDRN CCCOc1cccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 ZINC000031604133 847915131 /nfs/dbraw/zinc/91/51/31/847915131.db2.gz NPCOBZSQKLJHGY-UHFFFAOYSA-N 0 0 408.458 4.498 20 5 HIBDRN O=C(Nc1ccc(F)cc1Cl)c1cc([N+](=O)[O-])ccc1I ZINC000031674333 847926610 /nfs/dbraw/zinc/92/66/10/847926610.db2.gz CJLCOBHCFJOXSE-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN O=C(COc1ccc(Cl)c2ccccc12)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000031680638 847927260 /nfs/dbraw/zinc/92/72/60/847927260.db2.gz ABKPYHOHVWPENR-UHFFFAOYSA-N 0 0 400.774 4.148 20 5 HIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1SCc1noc(-c2ccsc2)n1 ZINC000031747199 847942379 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4.047 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000032505613 848040837 /nfs/dbraw/zinc/04/08/37/848040837.db2.gz JFQXZETVBGVFDW-UHFFFAOYSA-N 0 0 414.483 4.387 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F ZINC000032517128 848042880 /nfs/dbraw/zinc/04/28/80/848042880.db2.gz AKFRBZYKKDMAKG-UHFFFAOYSA-N 0 0 423.400 4.312 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000032633146 848057534 /nfs/dbraw/zinc/05/75/34/848057534.db2.gz WFHPAHIYEJHPEM-UHFFFAOYSA-N 0 0 422.393 4.054 20 5 HIBDRN O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032652389 848060497 /nfs/dbraw/zinc/06/04/97/848060497.db2.gz HJFSCWUXEGYYHK-UHFFFAOYSA-N 0 0 423.429 4.219 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cccc(OC)c2)cc1 ZINC000032670291 848061502 /nfs/dbraw/zinc/06/15/02/848061502.db2.gz LHNUQUNRSHRFCI-UHFFFAOYSA-N 0 0 408.410 4.334 20 5 HIBDRN O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1ccc(-c2ccccc2)cc1 ZINC000032782859 848075104 /nfs/dbraw/zinc/07/51/04/848075104.db2.gz IWEKCZLUFOXYCO-UHFFFAOYSA-N 0 0 423.432 4.206 20 5 HIBDRN CCOc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1OC(F)F ZINC000033081211 848105779 /nfs/dbraw/zinc/10/57/79/848105779.db2.gz LNTVEVFEDQKFJH-UHFFFAOYSA-N 0 0 400.403 4.237 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000033096261 848107838 /nfs/dbraw/zinc/10/78/38/848107838.db2.gz ITCLDENTPNKAQO-KRWDZBQOSA-N 0 0 422.268 4.453 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(C(F)(F)F)c1 ZINC000033157231 848115048 /nfs/dbraw/zinc/11/50/48/848115048.db2.gz SPPBZMFLSFXXJE-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033162395 848117176 /nfs/dbraw/zinc/11/71/76/848117176.db2.gz FQOULWMRYVQNPP-MRXNPFEDSA-N 0 0 414.874 4.401 20 5 HIBDRN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OCc1cccnc1 ZINC000033176649 848118916 /nfs/dbraw/zinc/11/89/16/848118916.db2.gz QXYJPMUQBFZTOW-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cnc2ccccc2c1C(F)(F)F ZINC000033180309 848119890 /nfs/dbraw/zinc/11/98/90/848119890.db2.gz CMXOHNZXKNJYQZ-UHFFFAOYSA-N 0 0 404.348 4.004 20 5 HIBDRN COc1ccc2cc(CN(C)C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)ccc2c1 ZINC000033220780 848128085 /nfs/dbraw/zinc/12/80/85/848128085.db2.gz LQPXDOWPURIWGO-UHFFFAOYSA-N 0 0 416.437 4.215 20 5 HIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000033407544 848134166 /nfs/dbraw/zinc/13/41/66/848134166.db2.gz ZAOLXVYMYCXZHB-XCVCLJGOSA-N 0 0 416.846 4.331 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1Cl ZINC000035605404 848144175 /nfs/dbraw/zinc/14/41/75/848144175.db2.gz FQRAJFNPGABVKG-MRVPVSSYSA-N 0 0 401.177 4.225 20 5 HIBDRN O=C(Nc1ccc(I)cc1Cl)c1cc(F)ccc1[N+](=O)[O-] ZINC000038104836 848176858 /nfs/dbraw/zinc/17/68/58/848176858.db2.gz UFKIMYFPBAVMMI-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000038667558 848179253 /nfs/dbraw/zinc/17/92/53/848179253.db2.gz ZPPNCGWCKVNEHY-UHFFFAOYSA-N 0 0 401.875 4.273 20 5 HIBDRN CCCCn1c2nnc(SCc3cccc([N+](=O)[O-])c3C)n2c2ccccc2c1=O ZINC000040123007 848197484 /nfs/dbraw/zinc/19/74/84/848197484.db2.gz HERJBFKDQIGYTE-UHFFFAOYSA-N 0 0 423.498 4.353 20 5 HIBDRN Cc1nc(C2(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CCCCCC2)no1 ZINC000041839867 848256134 /nfs/dbraw/zinc/25/61/34/848256134.db2.gz PEBUVRKFMLYGHT-ZDUSSCGKSA-N 0 0 404.492 4.133 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000041851724 848257619 /nfs/dbraw/zinc/25/76/19/848257619.db2.gz UHBRQBMKWRKOHY-QGZVFWFLSA-N 0 0 401.438 4.275 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000041851803 848258212 /nfs/dbraw/zinc/25/82/12/848258212.db2.gz SAZKZGDPXBRZTC-KRWDZBQOSA-N 0 0 401.438 4.275 20 5 HIBDRN CC(C)c1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(C(C)C)c1 ZINC000041871850 848261183 /nfs/dbraw/zinc/26/11/83/848261183.db2.gz ZKIBMXBVUDAOTE-UHFFFAOYSA-N 0 0 404.488 4.497 20 5 HIBDRN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000041930193 848265565 /nfs/dbraw/zinc/26/55/65/848265565.db2.gz BJGUOGSDUPRYRL-UHFFFAOYSA-N 0 0 414.849 4.202 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCCCOC(C)C)cc1[N+](=O)[O-] ZINC000042033507 848276836 /nfs/dbraw/zinc/27/68/36/848276836.db2.gz PJQIAQCJZPPXIC-UHFFFAOYSA-N 0 0 416.499 4.093 20 5 HIBDRN COc1ccc(CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1[N+](=O)[O-] ZINC000042153433 848293774 /nfs/dbraw/zinc/29/37/74/848293774.db2.gz OACHXWMZGRGOTQ-UHFFFAOYSA-N 0 0 407.451 4.296 20 5 HIBDRN Cc1c(NC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000043346923 848412410 /nfs/dbraw/zinc/41/24/10/848412410.db2.gz DPGJBSBYFZLPAT-UHFFFAOYSA-N 0 0 406.845 4.045 20 5 HIBDRN CCOc1cc(NC(=O)N(C)Cc2cccc(OC)c2)c([N+](=O)[O-])cc1OCC ZINC000043838903 848476090 /nfs/dbraw/zinc/47/60/90/848476090.db2.gz JKELMNOAAUUWQV-UHFFFAOYSA-N 0 0 403.435 4.065 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](C)c2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OCC ZINC000043838681 848476135 /nfs/dbraw/zinc/47/61/35/848476135.db2.gz XGDJFAHEYDVUQC-GFCCVEGCSA-N 0 0 413.434 4.151 20 5 HIBDRN CCCOc1cc(NC(=O)N[C@@H](C)c2cnn(C)c2C)c([N+](=O)[O-])cc1OCCC ZINC000043878440 848484760 /nfs/dbraw/zinc/48/47/60/848484760.db2.gz AYLXNUMKSRPEKM-ZDUSSCGKSA-N 0 0 419.482 4.097 20 5 HIBDRN CCCOc1cc(NC(=O)N[C@H](C)c2ccccn2)c([N+](=O)[O-])cc1OCCC ZINC000043878411 848484861 /nfs/dbraw/zinc/48/48/61/848484861.db2.gz QYJXTLPGVZCJAQ-CQSZACIVSA-N 0 0 402.451 4.450 20 5 HIBDRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000044499067 848562468 /nfs/dbraw/zinc/56/24/68/848562468.db2.gz NRFYSIWRZPMEKC-ZDUSSCGKSA-N 0 0 414.270 4.206 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1[N+](=O)[O-] ZINC000044634332 848584715 /nfs/dbraw/zinc/58/47/15/848584715.db2.gz SDMLBQFGFYYTJS-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN CC(=O)Nc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1C ZINC000044755607 848597019 /nfs/dbraw/zinc/59/70/19/848597019.db2.gz SKHFHOUCQBCRHO-UHFFFAOYSA-N 0 0 410.474 4.350 20 5 HIBDRN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000045259897 848654096 /nfs/dbraw/zinc/65/40/96/848654096.db2.gz PNKPLTRFUSWLLM-AWEZNQCLSA-N 0 0 403.429 4.309 20 5 HIBDRN COC(=O)c1cc(C(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)cc([N+](=O)[O-])c1 ZINC000045397345 848673651 /nfs/dbraw/zinc/67/36/51/848673651.db2.gz XWJIPQKSPSIZNA-LBPRGKRZSA-N 0 0 402.834 4.401 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000045560526 848691712 /nfs/dbraw/zinc/69/17/12/848691712.db2.gz YJUROPMHSBNDLL-IFXJQAMLSA-N 0 0 416.499 4.456 20 5 HIBDRN CC[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000045608722 848700802 /nfs/dbraw/zinc/70/08/02/848700802.db2.gz BSPUGTNHSIKHES-KRWDZBQOSA-N 0 0 402.882 4.231 20 5 HIBDRN COc1ncccc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000045932750 848754176 /nfs/dbraw/zinc/75/41/76/848754176.db2.gz MLWKTVKQEOZDHI-UHFFFAOYSA-N 0 0 402.457 4.167 20 5 HIBDRN C[C@@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2F)C[C@H](C)O1 ZINC000046067617 848780962 /nfs/dbraw/zinc/78/09/62/848780962.db2.gz NSTBUSOLQQXSBZ-TXEJJXNPSA-N 0 0 407.829 4.253 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)Cc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000046161545 848793064 /nfs/dbraw/zinc/79/30/64/848793064.db2.gz IPBCFLKQSCZUQE-UHFFFAOYSA-N 0 0 400.909 4.210 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000046225752 848806996 /nfs/dbraw/zinc/80/69/96/848806996.db2.gz GCSXGAVRJADDLV-UHFFFAOYSA-N 0 0 405.426 4.238 20 5 HIBDRN CCOc1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1[N+](=O)[O-] ZINC000046308863 848820735 /nfs/dbraw/zinc/82/07/35/848820735.db2.gz SEDXSTSNGPBXIV-UHFFFAOYSA-N 0 0 411.389 4.250 20 5 HIBDRN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000046501513 848861707 /nfs/dbraw/zinc/86/17/07/848861707.db2.gz 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FXAMQFZEBDUWKH-UHFFFAOYSA-N 0 0 402.410 4.382 20 5 HIBDRN O=C(Nc1cccc(CNc2nc3ccc([N+](=O)[O-])cc3s2)c1)c1ccncc1 ZINC000111119658 853203977 /nfs/dbraw/zinc/20/39/77/853203977.db2.gz CYUUZUBOYRLBDF-UHFFFAOYSA-N 0 0 405.439 4.464 20 5 HIBDRN Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000111168006 853215634 /nfs/dbraw/zinc/21/56/34/853215634.db2.gz ZGIBKMXIMSKFDW-UHFFFAOYSA-N 0 0 414.393 4.233 20 5 HIBDRN Cc1cc(NC(=O)CNc2nc3ccc([N+](=O)[O-])cc3s2)ccc1Br ZINC000111189940 853218136 /nfs/dbraw/zinc/21/81/36/853218136.db2.gz RMDPRUBHSBUXLG-UHFFFAOYSA-N 0 0 421.276 4.326 20 5 HIBDRN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000116103636 853283599 /nfs/dbraw/zinc/28/35/99/853283599.db2.gz MXJSNDIXQDCHMQ-QGZVFWFLSA-N 0 0 409.820 4.093 20 5 HIBDRN CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H](C)c1ccccc1Br ZINC000116174474 853290197 /nfs/dbraw/zinc/29/01/97/853290197.db2.gz YVUYSDDWIFDLMG-CYBMUJFWSA-N 0 0 423.311 4.252 20 5 HIBDRN CCCN(CCc1ccccn1)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000116183888 853290257 /nfs/dbraw/zinc/29/02/57/853290257.db2.gz BBIPMNHFEUUKNM-SFHVURJKSA-N 0 0 410.518 4.321 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000116423665 853303287 /nfs/dbraw/zinc/30/32/87/853303287.db2.gz IZWOVRRNZKVDCJ-UHFFFAOYSA-N 0 0 411.389 4.007 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(Cc1ccsc1)c1cccnc1 ZINC000116773048 853332217 /nfs/dbraw/zinc/33/22/17/853332217.db2.gz JVVOYRUUODMRKM-UHFFFAOYSA-N 0 0 409.876 4.100 20 5 HIBDRN Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000117251445 853350601 /nfs/dbraw/zinc/35/06/01/853350601.db2.gz ACNFPEDRZGJGSK-OAHLLOKOSA-N 0 0 424.501 4.094 20 5 HIBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000127459898 853371067 /nfs/dbraw/zinc/37/10/67/853371067.db2.gz KAXXDSJPQUGSGW-UHFFFAOYSA-N 0 0 406.055 4.434 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000138381974 853385610 /nfs/dbraw/zinc/38/56/10/853385610.db2.gz HFIZITKKZLTLTO-SECBINFHSA-N 0 0 412.229 4.266 20 5 HIBDRN COc1ccccc1[C@H](C)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000140291537 853440740 /nfs/dbraw/zinc/44/07/40/853440740.db2.gz KBGKHBQCSUSHFF-LBPRGKRZSA-N 0 0 412.364 4.221 20 5 HIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000140970807 853457887 /nfs/dbraw/zinc/45/78/87/853457887.db2.gz AUSAUIFTVTTZDF-SECBINFHSA-N 0 0 412.229 4.266 20 5 HIBDRN Cc1noc(C)c1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000141311507 853468096 /nfs/dbraw/zinc/46/80/96/853468096.db2.gz KZCWSKMMVBKZHE-IBGZPJMESA-N 0 0 414.849 4.323 20 5 HIBDRN O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000143342182 853512619 /nfs/dbraw/zinc/51/26/19/853512619.db2.gz NFPDJHMBPSBPNJ-UHFFFAOYSA-N 0 0 417.303 4.193 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000143740706 853520954 /nfs/dbraw/zinc/52/09/54/853520954.db2.gz BTWZQSZIXAJTQL-KLHJMIIUSA-N 0 0 402.454 4.449 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000145231358 853548076 /nfs/dbraw/zinc/54/80/76/853548076.db2.gz VOTGUDIKPHYSLA-UHFFFAOYSA-N 0 0 405.410 4.238 20 5 HIBDRN CCOc1cc(NC(=O)N(C)Cc2csc(CC)n2)c([N+](=O)[O-])cc1OCC ZINC000146557626 853571648 /nfs/dbraw/zinc/57/16/48/853571648.db2.gz WAFHSCMTFDXBLH-UHFFFAOYSA-N 0 0 408.480 4.075 20 5 HIBDRN CCN(CC)C(=O)COc1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1Cl ZINC000147768594 853594207 /nfs/dbraw/zinc/59/42/07/853594207.db2.gz NTRQBHWAEUPRNC-UHFFFAOYSA-N 0 0 419.865 4.056 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)NC2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000148732146 853612923 /nfs/dbraw/zinc/61/29/23/853612923.db2.gz KXUKVXIRUQFOQD-UHFFFAOYSA-N 0 0 415.506 4.192 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1Br ZINC000160151300 853644504 /nfs/dbraw/zinc/64/45/04/853644504.db2.gz DCOGKUPAYXQXTI-UHFFFAOYSA-N 0 0 414.053 4.050 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]1c1cccc(Br)c1 ZINC000165468459 853651138 /nfs/dbraw/zinc/65/11/38/853651138.db2.gz LZRRPBVMWRMBNG-MRXNPFEDSA-N 0 0 418.291 4.441 20 5 HIBDRN COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCC[C@@H]21 ZINC000195548377 853678286 /nfs/dbraw/zinc/67/82/86/853678286.db2.gz LPEKIVRZWRNYHP-XPGWFJOJSA-N 0 0 423.469 4.015 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000195575296 853692447 /nfs/dbraw/zinc/69/24/47/853692447.db2.gz TVYVMMUOBYUPKD-MRVPVSSYSA-N 0 0 423.249 4.089 20 5 HIBDRN O=c1c2c(-c3ccc(F)cc3)csc2ncn1CCOc1ccc([N+](=O)[O-])cc1 ZINC000195597624 853705537 /nfs/dbraw/zinc/70/55/37/853705537.db2.gz HKOXPNDPOWYNAS-UHFFFAOYSA-N 0 0 411.414 4.251 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000195624454 853722971 /nfs/dbraw/zinc/72/29/71/853722971.db2.gz HOCXSVHYACIKOW-LLVKDONJSA-N 0 0 409.305 4.440 20 5 HIBDRN Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000195662126 853743312 /nfs/dbraw/zinc/74/33/12/853743312.db2.gz UOBYVXATLPKWRQ-UHFFFAOYSA-N 0 0 400.431 4.438 20 5 HIBDRN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437262546 862496247 /nfs/dbraw/zinc/49/62/47/862496247.db2.gz YYEDJZWIDXFVFY-UHFFFAOYSA-N 0 0 421.335 4.095 20 5 HIBDRN Cc1c(C(=O)N(Cc2ccccc2)C2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000195700581 853766331 /nfs/dbraw/zinc/76/63/31/853766331.db2.gz ZZBSRAXRZKKOJJ-UHFFFAOYSA-N 0 0 419.485 4.459 20 5 HIBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000195716023 853775657 /nfs/dbraw/zinc/77/56/57/853775657.db2.gz IJBFZBAUZXJBLI-UHFFFAOYSA-N 0 0 401.419 4.008 20 5 HIBDRN COc1ccccc1N1C(=O)c2ccccc2/C(=C\c2cccc([N+](=O)[O-])c2)C1=O ZINC000205609388 853796644 /nfs/dbraw/zinc/79/66/44/853796644.db2.gz CBCWBPKTGRYCDV-XMHGGMMESA-N 0 0 400.390 4.331 20 5 HIBDRN C[C@@H](OC(=O)/C=C\c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000211575653 853816764 /nfs/dbraw/zinc/81/67/64/853816764.db2.gz BVRFEZMPAVZLJC-MQGYJPLLSA-N 0 0 408.332 4.197 20 5 HIBDRN C[C@H](C1CC1)n1nccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215818217 853838490 /nfs/dbraw/zinc/83/84/90/853838490.db2.gz YQIZWKBDTJHLEF-LLVKDONJSA-N 0 0 411.384 4.222 20 5 HIBDRN CCc1ccc(N(C(=O)Cn2cc([N+](=O)[O-])cn2)c2nc3ccccc3s2)cc1 ZINC000219528318 853869858 /nfs/dbraw/zinc/86/98/58/853869858.db2.gz RKXNLJVWUCZBJQ-UHFFFAOYSA-N 0 0 407.455 4.328 20 5 HIBDRN Cc1cc(NC(=O)c2cc(Cl)ccc2I)ccc1[N+](=O)[O-] ZINC000225823639 853880133 /nfs/dbraw/zinc/88/01/33/853880133.db2.gz APMBMESXZTVMGL-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236882763 853932146 /nfs/dbraw/zinc/93/21/46/853932146.db2.gz FWKRTXSUKIGWBF-VXGBXAGGSA-N 0 0 424.295 4.010 20 5 HIBDRN CCc1ccc([C@H](NCc2cccc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000236981940 853946255 /nfs/dbraw/zinc/94/62/55/853946255.db2.gz YOIZTXUOWGGAOS-QHCPKHFHSA-N 0 0 424.522 4.440 20 5 HIBDRN CCN(CC)C(=O)Cc1ccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000237052520 853957761 /nfs/dbraw/zinc/95/77/61/853957761.db2.gz XIAFRZKRMVZVHW-UHFFFAOYSA-N 0 0 421.501 4.018 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000237194504 853979561 /nfs/dbraw/zinc/97/95/61/853979561.db2.gz KFKYEWOAOJFVBC-GOSISDBHSA-N 0 0 406.866 4.104 20 5 HIBDRN Cc1ccc(CN[C@H](C)c2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] ZINC000237482061 854042352 /nfs/dbraw/zinc/04/23/52/854042352.db2.gz KZSGBKUPIXQDBV-GFCCVEGCSA-N 0 0 407.264 4.288 20 5 HIBDRN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NC(C)(C)C ZINC000237569407 854056468 /nfs/dbraw/zinc/05/64/68/854056468.db2.gz WEJRLKDHWWELJW-NSHDSACASA-N 0 0 424.295 4.010 20 5 HIBDRN Cc1ccc([C@H](NCc2csc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237647838 854067925 /nfs/dbraw/zinc/06/79/25/854067925.db2.gz ZVYFCBUWQPIOBY-FQEVSTJZSA-N 0 0 416.524 4.247 20 5 HIBDRN O=C1COc2cc(NCc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)ccc2N1 ZINC000237885189 854114845 /nfs/dbraw/zinc/11/48/45/854114845.db2.gz UTFIRSZBTJPEBM-UHFFFAOYSA-N 0 0 409.373 4.469 20 5 HIBDRN Cn1cc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437284635 862537808 /nfs/dbraw/zinc/53/78/08/862537808.db2.gz LFMCAODMBJCJEX-CXAGYDPISA-N 0 0 414.824 4.074 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4)c3)n2)cc1[N+](=O)[O-] ZINC000247981642 854170505 /nfs/dbraw/zinc/17/05/05/854170505.db2.gz GZUIIVIXZBNHHX-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000248273413 854188660 /nfs/dbraw/zinc/18/86/60/854188660.db2.gz XEJGKHGYVRNXET-SECBINFHSA-N 0 0 415.755 4.024 20 5 HIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000437286588 862540291 /nfs/dbraw/zinc/54/02/91/862540291.db2.gz GQYKNPOEKFKHAL-UHFFFAOYSA-N 0 0 401.728 4.478 20 5 HIBDRN Cc1c(C(=O)N[C@H](C)c2cccc3ccccc32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000253599874 854208077 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854571256 /nfs/dbraw/zinc/57/12/56/854571256.db2.gz LYJKNSAVEHMPNY-UHFFFAOYSA-N 0 0 424.375 4.184 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCS(=O)(=O)c2ccccc2C1 ZINC000302439468 854571304 /nfs/dbraw/zinc/57/13/04/854571304.db2.gz MAOCDZRYLGHEML-UHFFFAOYSA-N 0 0 420.796 4.061 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c(F)c1 ZINC000302462691 854573010 /nfs/dbraw/zinc/57/30/10/854573010.db2.gz RWUAGQZKBRXFTF-UHFFFAOYSA-N 0 0 418.318 4.260 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302639081 854595730 /nfs/dbraw/zinc/59/57/30/854595730.db2.gz KVPCOXYRSQATFR-UHFFFAOYSA-N 0 0 403.485 4.042 20 5 HIBDRN Cc1cc(N2CCC(Oc3ccc(F)nc3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302662525 854599863 /nfs/dbraw/zinc/59/98/63/854599863.db2.gz FILIVMBGGHWREZ-UHFFFAOYSA-N 0 0 410.243 4.248 20 5 HIBDRN CC(C)c1ccc(CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000302666115 854600809 /nfs/dbraw/zinc/60/08/09/854600809.db2.gz PEYSMWABHHVUHG-UHFFFAOYSA-N 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O=[N+]([O-])c1ccc(NCc2cccc(S(=O)(=O)N3CCCCC3)c2)c(Cl)c1 ZINC000303100748 854760187 /nfs/dbraw/zinc/76/01/87/854760187.db2.gz HIPUCBWSMIUKCB-UHFFFAOYSA-N 0 0 409.895 4.035 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](Nc2ccccc2)C(C)C)cc1SC ZINC000303161423 854793589 /nfs/dbraw/zinc/79/35/89/854793589.db2.gz HCNXMXIAANOAKP-MRXNPFEDSA-N 0 0 403.504 4.192 20 5 HIBDRN O=C(Nc1nnc(CC2CCCCC2)s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000303193417 854811604 /nfs/dbraw/zinc/81/16/04/854811604.db2.gz KHOQBGSYGPBJCR-UHFFFAOYSA-N 0 0 415.519 4.422 20 5 HIBDRN CCOc1ccc(Br)cc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000303222037 854823300 /nfs/dbraw/zinc/82/33/00/854823300.db2.gz VBKRIXMHRPPPIE-LLVKDONJSA-N 0 0 408.252 4.195 20 5 HIBDRN CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000303331180 854876258 /nfs/dbraw/zinc/87/62/58/854876258.db2.gz UGKBQHSGTHSFOD-QFIPXVFZSA-N 0 0 410.449 4.267 20 5 HIBDRN Cc1ccc([C@@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000437344738 862621250 /nfs/dbraw/zinc/62/12/50/862621250.db2.gz UBGGMXLKPHVDDV-IERDGZPVSA-N 0 0 404.532 4.291 20 5 HIBDRN CC[C@@H](C)Oc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000303416908 854918687 /nfs/dbraw/zinc/91/86/87/854918687.db2.gz BONNIHBDZODPRA-CJNGLKHVSA-N 0 0 417.487 4.077 20 5 HIBDRN O=C(CN1CCCC[C@@H]1c1cc2ccccc2[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303418563 854921005 /nfs/dbraw/zinc/92/10/05/854921005.db2.gz XPONBKKIHKESQH-OAQYLSRUSA-N 0 0 404.470 4.192 20 5 HIBDRN Cc1ccc([C@@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000437344744 862621949 /nfs/dbraw/zinc/62/19/49/862621949.db2.gz UBGGMXLKPHVDDV-KKSFZXQISA-N 0 0 404.532 4.291 20 5 HIBDRN CCCCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000303452226 854951666 /nfs/dbraw/zinc/95/16/66/854951666.db2.gz JVMKLVUXTAUGMO-MRXNPFEDSA-N 0 0 417.487 4.079 20 5 HIBDRN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000303464392 854964311 /nfs/dbraw/zinc/96/43/11/854964311.db2.gz OZOCPMNJNVUGLK-CQSZACIVSA-N 0 0 421.375 4.038 20 5 HIBDRN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccc2ccccc21 ZINC000303484394 854976593 /nfs/dbraw/zinc/97/65/93/854976593.db2.gz OYHQASDRJMOWDN-RDTXWAMCSA-N 0 0 423.494 4.292 20 5 HIBDRN CC(C)(CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1Cl ZINC000303588439 855062454 /nfs/dbraw/zinc/06/24/54/855062454.db2.gz LVZUXSRWPLIPBY-UHFFFAOYSA-N 0 0 417.824 4.349 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000303613308 855077601 /nfs/dbraw/zinc/07/76/01/855077601.db2.gz BZHASDYEVOQEKM-HNNXBMFYSA-N 0 0 415.515 4.471 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC000303616907 855079250 /nfs/dbraw/zinc/07/92/50/855079250.db2.gz CMMDRPJFPRZOEL-UHFFFAOYSA-N 0 0 424.478 4.271 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)c(C)c1[N+](=O)[O-] ZINC000303626092 855084853 /nfs/dbraw/zinc/08/48/53/855084853.db2.gz NXIJTLUDAKNDST-UHFFFAOYSA-N 0 0 409.446 4.241 20 5 HIBDRN Cc1cccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1C ZINC000303635715 855092265 /nfs/dbraw/zinc/09/22/65/855092265.db2.gz GGXILEACEFTPFZ-MRXNPFEDSA-N 0 0 403.504 4.169 20 5 HIBDRN CCOc1cc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c([N+](=O)[O-])cc1OC ZINC000303663451 855116103 /nfs/dbraw/zinc/11/61/03/855116103.db2.gz XAPPEJDKPMOKJY-UHFFFAOYSA-N 0 0 402.422 4.194 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000303704892 855142960 /nfs/dbraw/zinc/14/29/60/855142960.db2.gz SHGBSHKLZOUVBN-UHFFFAOYSA-N 0 0 402.316 4.274 20 5 HIBDRN CC(C)COc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cn1 ZINC000303709530 855144736 /nfs/dbraw/zinc/14/47/36/855144736.db2.gz YSYSCYLPLLFWRP-UHFFFAOYSA-N 0 0 401.466 4.223 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000303730791 855157510 /nfs/dbraw/zinc/15/75/10/855157510.db2.gz DRJXUBXJBOTNFF-LLVKDONJSA-N 0 0 410.348 4.218 20 5 HIBDRN Cc1ccc([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 ZINC000303734197 855160293 /nfs/dbraw/zinc/16/02/93/855160293.db2.gz FUMDBKCKSPDNSH-GFCCVEGCSA-N 0 0 424.238 4.041 20 5 HIBDRN CC[C@@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000303745127 855167483 /nfs/dbraw/zinc/16/74/83/855167483.db2.gz JQEMEVBJMMLLOF-MRXNPFEDSA-N 0 0 410.442 4.382 20 5 HIBDRN CCc1ccc([C@@H](COC)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)o1 ZINC000303857669 855252803 /nfs/dbraw/zinc/25/28/03/855252803.db2.gz GRUFQKQWYSRMPE-GOSISDBHSA-N 0 0 415.490 4.104 20 5 HIBDRN COc1ccc(OCCSc2nnc(-c3ccccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000303866321 855259785 /nfs/dbraw/zinc/25/97/85/855259785.db2.gz HJGGXLYYAFYQOR-UHFFFAOYSA-N 0 0 407.835 4.478 20 5 HIBDRN Cc1c(CSC(C)C)cccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000304079534 855350874 /nfs/dbraw/zinc/35/08/74/855350874.db2.gz VTBANBYBVBFFAX-UHFFFAOYSA-N 0 0 411.487 4.378 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000304084967 855352155 /nfs/dbraw/zinc/35/21/55/855352155.db2.gz WIXZFKRAKOFDSI-QINHECLXSA-N 0 0 400.500 4.372 20 5 HIBDRN CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000309854775 855365405 /nfs/dbraw/zinc/36/54/05/855365405.db2.gz AZDLWWDAHFPICA-NSHDSACASA-N 0 0 400.273 4.169 20 5 HIBDRN Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Br ZINC000315894176 855379312 /nfs/dbraw/zinc/37/93/12/855379312.db2.gz ABHDQTGTOGQKIH-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN COc1ccc(C(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000321706086 855391572 /nfs/dbraw/zinc/39/15/72/855391572.db2.gz UQKZMOIBMZKDEU-UHFFFAOYSA-N 0 0 400.612 4.281 20 5 HIBDRN COc1ccc(C(=O)COc2c(Cl)cccc2[N+](=O)[O-])cc1Br ZINC000322826332 855393599 /nfs/dbraw/zinc/39/35/99/855393599.db2.gz HIYDKQWDFABMJN-UHFFFAOYSA-N 0 0 400.612 4.281 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ncccc1Br ZINC000325911134 855406259 /nfs/dbraw/zinc/40/62/59/855406259.db2.gz MGVUMLUYTYOPSU-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN Nc1c(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)cc(F)cc1[N+](=O)[O-] ZINC000393203767 855467829 /nfs/dbraw/zinc/46/78/29/855467829.db2.gz JEOSWAZSCFJIEX-UHFFFAOYSA-N 0 0 422.132 4.350 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)Nc2nnc(C(F)F)s2)cc1[N+](=O)[O-])c1ccccn1 ZINC000409463213 855491978 /nfs/dbraw/zinc/49/19/78/855491978.db2.gz JIJJQGWKEDGBID-SECBINFHSA-N 0 0 420.401 4.204 20 5 HIBDRN COc1ccc([C@H]2C[C@H](Nc3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])C2)cc1F ZINC000409520017 855520742 /nfs/dbraw/zinc/52/07/42/855520742.db2.gz IZJBSEITPVDYCV-WKILWMFISA-N 0 0 401.438 4.239 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000409544308 855534794 /nfs/dbraw/zinc/53/47/94/855534794.db2.gz JVPXAJWBMBFSRB-OQPBUACISA-N 0 0 417.256 4.064 20 5 HIBDRN O=C(c1ccoc1C1CC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000409561064 855541472 /nfs/dbraw/zinc/54/14/72/855541472.db2.gz IWSRWRDNKDLWMF-UHFFFAOYSA-N 0 0 409.364 4.046 20 5 HIBDRN Cc1csc(-c2cccc(S(=O)(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)n1 ZINC000409574235 855547925 /nfs/dbraw/zinc/54/79/25/855547925.db2.gz HIZUUIBUGBKZSF-ZDUSSCGKSA-N 0 0 403.485 4.066 20 5 HIBDRN O=C(CSc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])Nc1ccccc1 ZINC000409648535 855582070 /nfs/dbraw/zinc/58/20/70/855582070.db2.gz SNWDPMYFQWJDQR-UHFFFAOYSA-N 0 0 407.320 4.375 20 5 HIBDRN O=[N+]([O-])c1ccn(C2CCN(c3ccnc4c(Br)ccc(F)c34)CC2)n1 ZINC000409661318 855589640 /nfs/dbraw/zinc/58/96/40/855589640.db2.gz BRGCBFVHXFCEQN-UHFFFAOYSA-N 0 0 420.242 4.083 20 5 HIBDRN COc1ccc([C@H]2C[C@H](NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1F ZINC000409752589 855635770 /nfs/dbraw/zinc/63/57/70/855635770.db2.gz OBVUTKBXBLBVKZ-KOMQPUFPSA-N 0 0 421.856 4.184 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCOc4c(F)cccc43)cc2[N+](=O)[O-])C1 ZINC000409855209 855690121 /nfs/dbraw/zinc/69/01/21/855690121.db2.gz MHARVVDGSZFHIF-RDTXWAMCSA-N 0 0 413.449 4.224 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000409875792 855700915 /nfs/dbraw/zinc/70/09/15/855700915.db2.gz MVGBIPQPVYAFQD-UCLAIMLFSA-N 0 0 410.470 4.079 20 5 HIBDRN CC(C)(COCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000409892257 855709492 /nfs/dbraw/zinc/70/94/92/855709492.db2.gz REGUEYVFIKDDON-UHFFFAOYSA-N 0 0 407.264 4.083 20 5 HIBDRN C[C@H](NC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12)c1ccccc1[N+](=O)[O-] ZINC000409901389 855713975 /nfs/dbraw/zinc/71/39/75/855713975.db2.gz NFMWYIBHPPRPIX-TUIFFPIZSA-N 0 0 415.287 4.439 20 5 HIBDRN O=C(Cc1c(F)ccc(Br)c1F)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000409956641 855743741 /nfs/dbraw/zinc/74/37/41/855743741.db2.gz NQFFQERYDKDJGS-UHFFFAOYSA-N 0 0 419.609 4.148 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000409979561 855759044 /nfs/dbraw/zinc/75/90/44/855759044.db2.gz LJPZRFLLWHDHLK-MRXNPFEDSA-N 0 0 409.442 4.297 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Cc2c(F)ccc(Br)c2F)cc1[N+](=O)[O-] ZINC000409987953 855764862 /nfs/dbraw/zinc/76/48/62/855764862.db2.gz UOBABHJRVWGHFH-JTQLQIEISA-N 0 0 413.218 4.364 20 5 HIBDRN COc1cc(F)c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1OC ZINC000410021570 855783556 /nfs/dbraw/zinc/78/35/56/855783556.db2.gz OTGLIEHTFYCDAP-CYBMUJFWSA-N 0 0 417.437 4.240 20 5 HIBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1c(F)cccc1Oc1ccccc1 ZINC000410035354 855789605 /nfs/dbraw/zinc/78/96/05/855789605.db2.gz CIZUWIZTTQRNMX-UHFFFAOYSA-N 0 0 423.400 4.285 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000410047804 855798339 /nfs/dbraw/zinc/79/83/39/855798339.db2.gz RVFOZKWUPUQJHJ-XMMPIXPASA-N 0 0 418.449 4.204 20 5 HIBDRN CCn1c(SCCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 ZINC000410057196 855804230 /nfs/dbraw/zinc/80/42/30/855804230.db2.gz JERWDGBHSJFSJK-UHFFFAOYSA-N 0 0 411.487 4.303 20 5 HIBDRN CC(C)(CNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000410149546 855839628 /nfs/dbraw/zinc/83/96/28/855839628.db2.gz WHFZWVAXWHYNLG-UHFFFAOYSA-N 0 0 406.280 4.134 20 5 HIBDRN CC(C)c1cccc(O[C@H](C)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC000410178535 855852028 /nfs/dbraw/zinc/85/20/28/855852028.db2.gz IRBGCIMPAIHRLQ-CQSZACIVSA-N 0 0 400.431 4.286 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000437393935 862728671 /nfs/dbraw/zinc/72/86/71/862728671.db2.gz RCRAPQZLLYGBCD-CVEARBPZSA-N 0 0 417.412 4.082 20 5 HIBDRN COc1cc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1OC ZINC000410210666 855864063 /nfs/dbraw/zinc/86/40/63/855864063.db2.gz SUSBWNICHOIQKJ-UHFFFAOYSA-N 0 0 422.840 4.366 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)[C@@H]2CCOC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000410232519 855873496 /nfs/dbraw/zinc/87/34/96/855873496.db2.gz SEZYKVFSQPEOCJ-GXTWGEPZSA-N 0 0 420.849 4.204 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@H]1CCOC1 ZINC000410238788 855875691 /nfs/dbraw/zinc/87/56/91/855875691.db2.gz WHJNAVZHANNGRW-HIFRSBDPSA-N 0 0 403.866 4.015 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(Br)cccc21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000410255664 855884489 /nfs/dbraw/zinc/88/44/89/855884489.db2.gz XJPPNFXKHRTVLC-CQSZACIVSA-N 0 0 417.215 4.357 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000410279619 855898404 /nfs/dbraw/zinc/89/84/04/855898404.db2.gz QMSMXZIKMINTNM-KRWDZBQOSA-N 0 0 410.518 4.445 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H](c2ccccc2F)C1 ZINC000410296863 855912237 /nfs/dbraw/zinc/91/22/37/855912237.db2.gz NYQDOMSXWHGNSH-LBPRGKRZSA-N 0 0 412.339 4.305 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)cc1OC ZINC000410384776 855965064 /nfs/dbraw/zinc/96/50/64/855965064.db2.gz VZMLSOFSQIYHAV-FKIZINRSSA-N 0 0 404.850 4.321 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426004585 856041861 /nfs/dbraw/zinc/04/18/61/856041861.db2.gz PQBBMFSJORFMAD-SIKLNZKXSA-N 0 0 409.486 4.437 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000426075523 856089646 /nfs/dbraw/zinc/08/96/46/856089646.db2.gz GTBNYWNTNLDBOX-UHFFFAOYSA-N 0 0 402.204 4.172 20 5 HIBDRN Cc1cc(Br)c2c(c1)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000426077882 856092160 /nfs/dbraw/zinc/09/21/60/856092160.db2.gz GKSTWLKHCUVUFJ-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000426184008 856161426 /nfs/dbraw/zinc/16/14/26/856161426.db2.gz RPMZFHRKUCTQSW-QGZVFWFLSA-N 0 0 412.273 4.431 20 5 HIBDRN CC(C)c1nn(C)cc1-c1noc(-c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000426210808 856178212 /nfs/dbraw/zinc/17/82/12/856178212.db2.gz OLLAPHAWIPCOMI-CQSZACIVSA-N 0 0 410.478 4.405 20 5 HIBDRN CC1(C)CC[C@@H]2C[C@@H](NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c3cccc1c32 ZINC000426214925 856180631 /nfs/dbraw/zinc/18/06/31/856180631.db2.gz QEHOQQUBDPQFKX-DNVCBOLYSA-N 0 0 423.517 4.438 20 5 HIBDRN C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](c2ccccc2)O1 ZINC000426253618 856204055 /nfs/dbraw/zinc/20/40/55/856204055.db2.gz ARHSCRPQMGCNBJ-SCLBCKFNSA-N 0 0 423.391 4.285 20 5 HIBDRN CCOCCC1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000426255948 856204739 /nfs/dbraw/zinc/20/47/39/856204739.db2.gz KETNIIAIENKWPV-UHFFFAOYSA-N 0 0 403.401 4.010 20 5 HIBDRN CC(C)CCOC1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000426270991 856212587 /nfs/dbraw/zinc/21/25/87/856212587.db2.gz KFFHDNJATCXDEK-UHFFFAOYSA-N 0 0 417.428 4.350 20 5 HIBDRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426280578 856217719 /nfs/dbraw/zinc/21/77/19/856217719.db2.gz MLBCATVRSGAYDD-HNNXBMFYSA-N 0 0 411.384 4.000 20 5 HIBDRN O=C(Cc1cccc(N2CCCC2=O)c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000426311270 856238758 /nfs/dbraw/zinc/23/87/58/856238758.db2.gz PKDVCCUVGKQQOP-UHFFFAOYSA-N 0 0 422.466 4.026 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCN(C3CC3)c3ccccc32)cc1[N+](=O)[O-] ZINC000426363481 856259066 /nfs/dbraw/zinc/25/90/66/856259066.db2.gz AYVVRGZSEQMDFQ-UHFFFAOYSA-N 0 0 416.275 4.295 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)[C@@H]3OCCc4sccc43)n2)c1 ZINC000426404918 856276541 /nfs/dbraw/zinc/27/65/41/856276541.db2.gz KPEGJMLGPYJXCG-ZMZPIMSZSA-N 0 0 401.444 4.056 20 5 HIBDRN CC(C)(c1nc(CC(=O)Nc2cccc3ncccc32)no1)c1ccccc1[N+](=O)[O-] ZINC000426441046 856292098 /nfs/dbraw/zinc/29/20/98/856292098.db2.gz UWOHTKXPEZURHA-UHFFFAOYSA-N 0 0 417.425 4.033 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)Cc1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000426441087 856292215 /nfs/dbraw/zinc/29/22/15/856292215.db2.gz CQNRLIPANVXPRQ-UHFFFAOYSA-N 0 0 414.849 4.447 20 5 HIBDRN COCCOc1ccc(-c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1F ZINC000426449884 856297365 /nfs/dbraw/zinc/29/73/65/856297365.db2.gz JZAOINOUCINBSI-UHFFFAOYSA-N 0 0 401.394 4.135 20 5 HIBDRN COC[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000426506410 856323870 /nfs/dbraw/zinc/32/38/70/856323870.db2.gz FSYFOPXCNNEHCY-SFHVURJKSA-N 0 0 411.845 4.428 20 5 HIBDRN CC(C)(C)Oc1ccc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)nc1 ZINC000426555466 856346083 /nfs/dbraw/zinc/34/60/83/856346083.db2.gz LJPRMMLEAQBMML-UHFFFAOYSA-N 0 0 406.345 4.486 20 5 HIBDRN COCCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1scnc1C ZINC000426559189 856347373 /nfs/dbraw/zinc/34/73/73/856347373.db2.gz LJQUMFGURXJKSS-UHFFFAOYSA-N 0 0 404.517 4.132 20 5 HIBDRN Cc1cnc(OCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000426591394 856362912 /nfs/dbraw/zinc/36/29/12/856362912.db2.gz PWOIHPZECMJSTE-FQEVSTJZSA-N 0 0 411.845 4.236 20 5 HIBDRN CC(C)(c1nc([C@H](NC(=O)c2ccccc2)C2CC2)no1)c1ccccc1[N+](=O)[O-] ZINC000426602225 856368468 /nfs/dbraw/zinc/36/84/68/856368468.db2.gz FSADCKBSNSGBEI-GOSISDBHSA-N 0 0 406.442 4.185 20 5 HIBDRN CCSc1cccc(-c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)c1 ZINC000426618623 856376700 /nfs/dbraw/zinc/37/67/00/856376700.db2.gz MOXBBFZLTHVIRB-UHFFFAOYSA-N 0 0 416.484 4.148 20 5 HIBDRN CC[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000426634677 856384862 /nfs/dbraw/zinc/38/48/62/856384862.db2.gz OZMWSBUVJDLKCY-INIZCTEOSA-N 0 0 408.458 4.038 20 5 HIBDRN Cc1ccc(C[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])cc1 ZINC000426659229 856398011 /nfs/dbraw/zinc/39/80/11/856398011.db2.gz CPOPATBOXSNPQL-QGZVFWFLSA-N 0 0 411.483 4.060 20 5 HIBDRN C[C@@H](CCC(=O)[O-])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426662777 856399732 /nfs/dbraw/zinc/39/97/32/856399732.db2.gz YIDRBSSCWRXTOW-INIZCTEOSA-N 0 0 408.458 4.038 20 5 HIBDRN O=C(Nc1cc(F)c(Cl)cc1N1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000426664370 856401848 /nfs/dbraw/zinc/40/18/48/856401848.db2.gz QXBVUTZNHYBTLE-UHFFFAOYSA-N 0 0 414.220 4.130 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000426703556 856421415 /nfs/dbraw/zinc/42/14/15/856421415.db2.gz MKTQXEIQHGDDME-KRWDZBQOSA-N 0 0 408.483 4.435 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cccc(Cl)c1Cl ZINC000426724505 856435434 /nfs/dbraw/zinc/43/54/34/856435434.db2.gz STVIXCBSIDUQFZ-MRXNPFEDSA-N 0 0 408.241 4.168 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000426725684 856436740 /nfs/dbraw/zinc/43/67/40/856436740.db2.gz CZLLOBGJNSMBAJ-FQEVSTJZSA-N 0 0 423.400 4.261 20 5 HIBDRN O=C([O-])[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426745769 856450127 /nfs/dbraw/zinc/45/01/27/856450127.db2.gz VXOXNSATNGZSNY-KRWDZBQOSA-N 0 0 400.818 4.294 20 5 HIBDRN C[C@]1(C(=O)[O-])CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000426750906 856454757 /nfs/dbraw/zinc/45/47/57/856454757.db2.gz RCYRAULJVMEOAC-AEFFLSMTSA-N 0 0 423.263 4.350 20 5 HIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000426776443 856472113 /nfs/dbraw/zinc/47/21/13/856472113.db2.gz GGYJACHPZATRFQ-SFHVURJKSA-N 0 0 400.818 4.294 20 5 HIBDRN CC[C@H](C)[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)[O-] ZINC000426783672 856475960 /nfs/dbraw/zinc/47/59/60/856475960.db2.gz KDOPVLRRRQUCAH-QFYYESIMSA-N 0 0 411.252 4.206 20 5 HIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000426795950 856483443 /nfs/dbraw/zinc/48/34/43/856483443.db2.gz ZJXBWJSMROOCRZ-QFIPXVFZSA-N 0 0 412.486 4.339 20 5 HIBDRN COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000426816268 856494189 /nfs/dbraw/zinc/49/41/89/856494189.db2.gz JRXDENCOZDOJHE-FQEVSTJZSA-N 0 0 406.438 4.056 20 5 HIBDRN O=C([O-])[C@@H](Cc1ccco1)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000426816837 856495286 /nfs/dbraw/zinc/49/52/86/856495286.db2.gz QWPPCKHOLUVTLE-QGZVFWFLSA-N 0 0 416.817 4.419 20 5 HIBDRN COc1ccc([C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C(=O)[O-])cc1F ZINC000426825655 856500922 /nfs/dbraw/zinc/50/09/22/856500922.db2.gz QVNVMEVVXAMVLJ-IBGZPJMESA-N 0 0 416.430 4.387 20 5 HIBDRN COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1OC ZINC000426826288 856501253 /nfs/dbraw/zinc/50/12/53/856501253.db2.gz DOAGDYOMGHIVRG-KRWDZBQOSA-N 0 0 402.447 4.041 20 5 HIBDRN CC(C)[C@@H](CC(=O)[O-])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000426827661 856502259 /nfs/dbraw/zinc/50/22/59/856502259.db2.gz IWESSUAQEIKKLG-OAHLLOKOSA-N 0 0 411.252 4.206 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(F)cc2I)cc1[N+](=O)[O-] ZINC000426852394 856512554 /nfs/dbraw/zinc/51/25/54/856512554.db2.gz ZPGKDQHHVAXJAY-UHFFFAOYSA-N 0 0 414.174 4.153 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000426862821 856517087 /nfs/dbraw/zinc/51/70/87/856517087.db2.gz BOZOWFQFIHXAHF-AWEZNQCLSA-N 0 0 422.304 4.346 20 5 HIBDRN Cc1cc(Oc2ccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000426905728 856536271 /nfs/dbraw/zinc/53/62/71/856536271.db2.gz WBTILGVQCMYVNJ-UHFFFAOYSA-N 0 0 416.821 4.480 20 5 HIBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)ccc1C(F)(F)F ZINC000426944123 856554766 /nfs/dbraw/zinc/55/47/66/856554766.db2.gz USTBFCDJGDVCNR-UHFFFAOYSA-N 0 0 406.263 4.476 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000426945753 856555542 /nfs/dbraw/zinc/55/55/42/856555542.db2.gz PKGPXKNCGQBYOK-HXUWFJFHSA-N 0 0 400.818 4.298 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000426979853 856576037 /nfs/dbraw/zinc/57/60/37/856576037.db2.gz FXJAUGUSJJFMII-QFIPXVFZSA-N 0 0 410.426 4.180 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000437444771 862812343 /nfs/dbraw/zinc/81/23/43/862812343.db2.gz CUBXYRHYGXHSPC-XUTJKUGGSA-N 0 0 422.460 4.272 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000437449597 862815071 /nfs/dbraw/zinc/81/50/71/862815071.db2.gz OOOZBIVRBKXWNN-LYRGGWFBSA-N 0 0 408.426 4.349 20 5 HIBDRN Cc1cccc(-n2c(SCCn3cc([N+](=O)[O-])cn3)nnc2-c2ccccc2)c1 ZINC000427106625 856640987 /nfs/dbraw/zinc/64/09/87/856640987.db2.gz FSFUYIDTRIFYSR-UHFFFAOYSA-N 0 0 406.471 4.140 20 5 HIBDRN Cc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000427109096 856643428 /nfs/dbraw/zinc/64/34/28/856643428.db2.gz GKGDYLRWWWWSAN-KRWDZBQOSA-N 0 0 404.850 4.369 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3cccc(C)c3)nn2-c2ccccc2)n1 ZINC000427113739 856646199 /nfs/dbraw/zinc/64/61/99/856646199.db2.gz JBEYZMSDBZSQCS-UHFFFAOYSA-N 0 0 416.441 4.225 20 5 HIBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427135098 856662014 /nfs/dbraw/zinc/66/20/14/856662014.db2.gz ABDFZZKLHZIVSK-QZTJIDSGSA-N 0 0 421.497 4.154 20 5 HIBDRN O=C(NC[C@H](CCO)c1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427154368 856674596 /nfs/dbraw/zinc/67/45/96/856674596.db2.gz WOYKVGCUWCNFPS-FQEVSTJZSA-N 0 0 420.465 4.070 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(CCC(C)C)c2CC)cc1OC ZINC000427197258 856706854 /nfs/dbraw/zinc/70/68/54/856706854.db2.gz BSUCTSBYHPBUCU-UHFFFAOYSA-N 0 0 404.467 4.059 20 5 HIBDRN CC(C)N(CC(F)F)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000427219426 856718663 /nfs/dbraw/zinc/71/86/63/856718663.db2.gz POZKAEGIOJMQGB-UHFFFAOYSA-N 0 0 423.382 4.332 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1OCC(C)C ZINC000427247747 856734163 /nfs/dbraw/zinc/73/41/63/856734163.db2.gz BVXUJCMIEJXESS-CQSZACIVSA-N 0 0 402.447 4.138 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)n1 ZINC000427268365 856744253 /nfs/dbraw/zinc/74/42/53/856744253.db2.gz AUVIDZPDPCIDJE-FQEVSTJZSA-N 0 0 404.470 4.450 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(C)c(C)nn1-c1ccc(Cl)cc1 ZINC000427347708 856784706 /nfs/dbraw/zinc/78/47/06/856784706.db2.gz QNEWULUXKZKCHS-UHFFFAOYSA-N 0 0 400.822 4.312 20 5 HIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000427356874 856790307 /nfs/dbraw/zinc/79/03/07/856790307.db2.gz JHTHELJVFAXOLP-VXGBXAGGSA-N 0 0 409.273 4.350 20 5 HIBDRN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000427358530 856791789 /nfs/dbraw/zinc/79/17/89/856791789.db2.gz IPWLXAOEQFZBAR-OTQAAAIFSA-N 0 0 416.499 4.197 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)n1 ZINC000427357900 856792384 /nfs/dbraw/zinc/79/23/84/856792384.db2.gz OPYBYBHELOQEEJ-LJQANCHMSA-N 0 0 416.840 4.465 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)n1 ZINC000427372838 856800174 /nfs/dbraw/zinc/80/01/74/856800174.db2.gz ROXBFOSUKWGWSG-HNNXBMFYSA-N 0 0 408.458 4.320 20 5 HIBDRN C[C@@](O)(CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000427415512 856811171 /nfs/dbraw/zinc/81/11/71/856811171.db2.gz SXHSIVDAVHBRIL-HSZRJFAPSA-N 0 0 412.486 4.235 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CC[C@H](OCc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000427421784 856813467 /nfs/dbraw/zinc/81/34/67/856813467.db2.gz RNKQFXRVCNGDQW-FQEVSTJZSA-N 0 0 403.438 4.016 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)n1 ZINC000427443534 856822853 /nfs/dbraw/zinc/82/28/53/856822853.db2.gz LUKZTQUUZGSVGR-SFHVURJKSA-N 0 0 416.840 4.432 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000427445360 856823429 /nfs/dbraw/zinc/82/34/29/856823429.db2.gz AKEFXCOKQFZJRM-NRFANRHFSA-N 0 0 415.449 4.312 20 5 HIBDRN C/C(=C/c1ccccc1)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000427560276 856866097 /nfs/dbraw/zinc/86/60/97/856866097.db2.gz RWBLQKYTHBLECT-XWPLZZTOSA-N 0 0 421.497 4.070 20 5 HIBDRN COc1ccc(CNC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)cc1[N+](=O)[O-] ZINC000437487668 862845837 /nfs/dbraw/zinc/84/58/37/862845837.db2.gz ZPURBALJESXVOA-UHFFFAOYSA-N 0 0 410.257 4.178 20 5 HIBDRN COc1cc(C(=O)NCC2(c3cccc(F)c3F)CCCC2)c([N+](=O)[O-])cc1OC ZINC000427590043 856880270 /nfs/dbraw/zinc/88/02/70/856880270.db2.gz WGRVDAUTWZXQKW-UHFFFAOYSA-N 0 0 420.412 4.132 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)c2ccc(F)cc2)cc1 ZINC000427607102 856885991 /nfs/dbraw/zinc/88/59/91/856885991.db2.gz RDBVZGRIOROLQZ-NRFANRHFSA-N 0 0 410.401 4.271 20 5 HIBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCC[C@H]1CO ZINC000427645741 856895911 /nfs/dbraw/zinc/89/59/11/856895911.db2.gz FOZXIOLESZJWKX-XOQYZJNISA-N 0 0 423.494 4.119 20 5 HIBDRN COc1ccc(-c2cncc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c2)cc1 ZINC000437490555 862848929 /nfs/dbraw/zinc/84/89/29/862848929.db2.gz NEYBEMGCRFFNSR-UHFFFAOYSA-N 0 0 403.438 4.470 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)c1[N+](=O)[O-] ZINC000427813268 856966238 /nfs/dbraw/zinc/96/62/38/856966238.db2.gz UWJYAWVPIGMVLS-AWEZNQCLSA-N 0 0 412.412 4.286 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000437503263 862856874 /nfs/dbraw/zinc/85/68/74/862856874.db2.gz IPKWAZZEIQJACV-KOMQPUFPSA-N 0 0 408.376 4.445 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000427867073 856987057 /nfs/dbraw/zinc/98/70/57/856987057.db2.gz AKCGXLBMRCFKFR-UHFFFAOYSA-N 0 0 411.458 4.180 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2ccc(OC(F)F)cc2)no1 ZINC000427869417 856988305 /nfs/dbraw/zinc/98/83/05/856988305.db2.gz WLEJKYGWVHUDCG-UHFFFAOYSA-N 0 0 405.313 4.112 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccc(O)cc1)CC1CC1 ZINC000427884961 856993730 /nfs/dbraw/zinc/99/37/30/856993730.db2.gz VAQCMVDMWUTDBN-ZDUSSCGKSA-N 0 0 404.850 4.160 20 5 HIBDRN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1cccc(OC(F)F)c1 ZINC000427907955 857002438 /nfs/dbraw/zinc/00/24/38/857002438.db2.gz MEOQSAGSXIFFEM-GFCCVEGCSA-N 0 0 417.368 4.001 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(CC3CCC3)CC(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000427911659 857003220 /nfs/dbraw/zinc/00/32/20/857003220.db2.gz JRDYVQHSSJUBAD-UHFFFAOYSA-N 0 0 424.423 4.261 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)c2)oc1C ZINC000427928518 857010705 /nfs/dbraw/zinc/01/07/05/857010705.db2.gz XHGMYTXIUYLHRY-UHFFFAOYSA-N 0 0 418.409 4.432 20 5 HIBDRN COc1cc(OC)c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1Br ZINC000427948388 857018883 /nfs/dbraw/zinc/01/88/83/857018883.db2.gz VLRHPJCYPBDFPF-UHFFFAOYSA-N 0 0 420.219 4.108 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(NC(N)=O)c1 ZINC000427958117 857022838 /nfs/dbraw/zinc/02/28/38/857022838.db2.gz IKJSDTSOEOQFPI-UHFFFAOYSA-N 0 0 418.475 4.239 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC(=O)Nc1c(C)cc(C)cc1C ZINC000427987036 857034179 /nfs/dbraw/zinc/03/41/79/857034179.db2.gz AFRDGAZKERWQQF-UHFFFAOYSA-N 0 0 405.838 4.011 20 5 HIBDRN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428017566 857043375 /nfs/dbraw/zinc/04/33/75/857043375.db2.gz NODCGWNHHZGRMK-GOSISDBHSA-N 0 0 411.433 4.044 20 5 HIBDRN O=C(c1cccc(Br)c1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000428076400 857063659 /nfs/dbraw/zinc/06/36/59/857063659.db2.gz MNTBZWIQYRPKQZ-UHFFFAOYSA-N 0 0 423.238 4.180 20 5 HIBDRN COC(=O)[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(OC)cc1 ZINC000428096122 857070732 /nfs/dbraw/zinc/07/07/32/857070732.db2.gz AASCKWLJGJIVFO-HXUWFJFHSA-N 0 0 412.467 4.336 20 5 HIBDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1ccnc(-c3ccccc3)c1[N+](=O)[O-])C2 ZINC000428097827 857070991 /nfs/dbraw/zinc/07/09/91/857070991.db2.gz RVVQOPAQDADCQS-UHFFFAOYSA-N 0 0 415.449 4.353 20 5 HIBDRN COc1cc(C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000437530824 862868881 /nfs/dbraw/zinc/86/88/81/862868881.db2.gz XCGHMYQMYQCBMP-MQMHXKEQSA-N 0 0 424.375 4.307 20 5 HIBDRN Cc1cccc(OCCCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1C ZINC000428204550 857110231 /nfs/dbraw/zinc/11/02/31/857110231.db2.gz NNXNBPGGUIJMJZ-UHFFFAOYSA-N 0 0 400.478 4.497 20 5 HIBDRN CC1(C)[C@H](O)C[C@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000428304863 857146913 /nfs/dbraw/zinc/14/69/13/857146913.db2.gz XUKVBKNUWGGDQA-HZPDHXFCSA-N 0 0 406.891 4.289 20 5 HIBDRN COC(=O)[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C)c(C)c1 ZINC000428398939 857190696 /nfs/dbraw/zinc/19/06/96/857190696.db2.gz GNGRTHBMXUQWBR-LJQANCHMSA-N 0 0 411.483 4.339 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000428419073 857197879 /nfs/dbraw/zinc/19/78/79/857197879.db2.gz AOBQBOOXSGMGTH-GFCCVEGCSA-N 0 0 423.391 4.192 20 5 HIBDRN CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000428508426 857232207 /nfs/dbraw/zinc/23/22/07/857232207.db2.gz UKXHDKNJJOPDSD-INIZCTEOSA-N 0 0 414.405 4.131 20 5 HIBDRN CC[C@]1(CO)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000428525044 857239755 /nfs/dbraw/zinc/23/97/55/857239755.db2.gz MDPCNDKFAYUGJR-QFIPXVFZSA-N 0 0 414.458 4.020 20 5 HIBDRN CCOc1ccc(C(=O)NCc2nc(-c3ccccc3F)cs2)cc1[N+](=O)[O-] ZINC000428554538 857264013 /nfs/dbraw/zinc/26/40/13/857264013.db2.gz RRUXHIWENDACBP-UHFFFAOYSA-N 0 0 401.419 4.186 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@@H]1CCCC[C@H]1O ZINC000428582759 857271515 /nfs/dbraw/zinc/27/15/15/857271515.db2.gz KJNHLOIYCAWBGJ-WOJBJXKFSA-N 0 0 417.893 4.236 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000428587616 857273071 /nfs/dbraw/zinc/27/30/71/857273071.db2.gz AKCHNNZQQIFEOB-LBPRGKRZSA-N 0 0 415.833 4.397 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(NC3CC(F)(F)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000428661345 857292174 /nfs/dbraw/zinc/29/21/74/857292174.db2.gz RZKCXGRAFKZHJN-UHFFFAOYSA-N 0 0 411.430 4.222 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC[C@H]1O ZINC000428672705 857294265 /nfs/dbraw/zinc/29/42/65/857294265.db2.gz CVMNOAFMGVONRV-YVEFUNNKSA-N 0 0 406.891 4.242 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccccc2Br)c2ccncc21 ZINC000428683438 857296300 /nfs/dbraw/zinc/29/63/00/857296300.db2.gz SFMHUQYSKDFQMV-CYBMUJFWSA-N 0 0 416.275 4.169 20 5 HIBDRN CC[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000428734314 857313637 /nfs/dbraw/zinc/31/36/37/857313637.db2.gz YZVFUWSZMRSAGG-IBGZPJMESA-N 0 0 406.891 4.386 20 5 HIBDRN Cc1cnccc1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000428739047 857314701 /nfs/dbraw/zinc/31/47/01/857314701.db2.gz GYTRRKQHOZYNPU-UHFFFAOYSA-N 0 0 410.861 4.494 20 5 HIBDRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000428769216 857327517 /nfs/dbraw/zinc/32/75/17/857327517.db2.gz CFDRHMBALKVPQK-FZKQIMNGSA-N 0 0 423.391 4.014 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)ccc1[N+](=O)[O-] ZINC000437581935 862898074 /nfs/dbraw/zinc/89/80/74/862898074.db2.gz QGHXRXKIEPZGIB-UHFFFAOYSA-N 0 0 419.340 4.177 20 5 HIBDRN O=C(N[C@@H]1CCC[C@H]1CCO)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000428791120 857341365 /nfs/dbraw/zinc/34/13/65/857341365.db2.gz DKWHYICRZXIHAP-SUMWQHHRSA-N 0 0 404.850 4.321 20 5 HIBDRN O=C(N[C@@H]1CCC[C@H]1CCO)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000428792892 857342781 /nfs/dbraw/zinc/34/27/81/857342781.db2.gz JBIOTLOGXOEANT-IFXJQAMLSA-N 0 0 417.893 4.141 20 5 HIBDRN O=C(N[C@H]1CCC[C@H]1CCO)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000428792896 857343002 /nfs/dbraw/zinc/34/30/02/857343002.db2.gz JBIOTLOGXOEANT-LIRRHRJNSA-N 0 0 417.893 4.141 20 5 HIBDRN COCCOc1c(Cl)cccc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000429045576 857474753 /nfs/dbraw/zinc/47/47/53/857474753.db2.gz KFOUKMDZORAHKL-CYBMUJFWSA-N 0 0 407.854 4.465 20 5 HIBDRN CSc1cc2c(cc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OCCO2 ZINC000429084426 857501351 /nfs/dbraw/zinc/50/13/51/857501351.db2.gz NQLNXLLNHCQNGF-GFCCVEGCSA-N 0 0 403.460 4.279 20 5 HIBDRN CC(C)(NCc1nnc(-c2ccccc2Br)o1)c1ccccc1[N+](=O)[O-] ZINC000429248016 857573273 /nfs/dbraw/zinc/57/32/73/857573273.db2.gz LJBVONIYMAUXEG-UHFFFAOYSA-N 0 0 417.263 4.432 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCC3(C2)CCOCC3)c([N+](=O)[O-])cc1OCCC ZINC000437613305 862929834 /nfs/dbraw/zinc/92/98/34/862929834.db2.gz JRVSGHYWSZONSI-UHFFFAOYSA-N 0 0 421.494 4.207 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCOC[C@H]2CC(C)C)c([N+](=O)[O-])cc1OCCC ZINC000437612364 862930171 /nfs/dbraw/zinc/93/01/71/862930171.db2.gz GWYATHZQJZIASO-MRXNPFEDSA-N 0 0 423.510 4.451 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000429550087 857740886 /nfs/dbraw/zinc/74/08/86/857740886.db2.gz QVCOXXZOODYGGW-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN COc1cc(C(=O)NC2(c3cccc(Cl)c3)CCCC2)c([N+](=O)[O-])cc1OC ZINC000429728330 857852490 /nfs/dbraw/zinc/85/24/90/857852490.db2.gz FJRVYOWDTZZPGP-UHFFFAOYSA-N 0 0 404.850 4.465 20 5 HIBDRN Cc1ncsc1-c1nc(CNc2cc(Br)cc([N+](=O)[O-])c2C)no1 ZINC000429798531 857887949 /nfs/dbraw/zinc/88/79/49/857887949.db2.gz IPSSHSSDASVKHV-UHFFFAOYSA-N 0 0 410.253 4.093 20 5 HIBDRN Cc1c(NCc2nc([C@H](C)OCC(C)C)no2)cc(Br)cc1[N+](=O)[O-] ZINC000429803746 857890854 /nfs/dbraw/zinc/89/08/54/857890854.db2.gz GLCNEIHFMFMSRR-NSHDSACASA-N 0 0 413.272 4.394 20 5 HIBDRN COc1ccc(CCCN(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000429836799 857904666 /nfs/dbraw/zinc/90/46/66/857904666.db2.gz JQWIMHSYHJPPFS-UHFFFAOYSA-N 0 0 407.264 4.071 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1OC ZINC000429858802 857913872 /nfs/dbraw/zinc/91/38/72/857913872.db2.gz HIAYNBVSNANIPU-LLVKDONJSA-N 0 0 423.263 4.256 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429869138 857920108 /nfs/dbraw/zinc/92/01/08/857920108.db2.gz GTZHUJAWBCNMBK-KBXCAEBGSA-N 0 0 419.275 4.255 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000429925656 857950758 /nfs/dbraw/zinc/95/07/58/857950758.db2.gz OVLVNFDHXNIQEJ-UHFFFAOYSA-N 0 0 420.263 4.092 20 5 HIBDRN CS(=O)(=O)CC[C@@H]1CCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000430103490 858032817 /nfs/dbraw/zinc/03/28/17/858032817.db2.gz QBPJUWYWSVLZJQ-INIZCTEOSA-N 0 0 408.545 4.113 20 5 HIBDRN Cc1cc(Br)cnc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430107844 858035891 /nfs/dbraw/zinc/03/58/91/858035891.db2.gz URNPUTUZQRWKEP-UHFFFAOYSA-N 0 0 414.643 4.122 20 5 HIBDRN COc1cccc2c1ncc(C)c2NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000430111300 858037000 /nfs/dbraw/zinc/03/70/00/858037000.db2.gz PXBNOJYKDYRKJF-UHFFFAOYSA-N 0 0 420.469 4.315 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)ccc1[N+](=O)[O-] ZINC000430150325 858054253 /nfs/dbraw/zinc/05/42/53/858054253.db2.gz ZEVLSAGJPJTXHD-UHFFFAOYSA-N 0 0 411.439 4.235 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CN(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000430192336 858075518 /nfs/dbraw/zinc/07/55/18/858075518.db2.gz BMIFSOBVKGOKQG-UHFFFAOYSA-N 0 0 408.401 4.378 20 5 HIBDRN COc1cc(CNc2ccc(-n3nccc3C(F)(F)F)cc2)c([N+](=O)[O-])cc1O ZINC000430209052 858082839 /nfs/dbraw/zinc/08/28/39/858082839.db2.gz VSGQBTOUHKABEI-UHFFFAOYSA-N 0 0 408.336 4.126 20 5 HIBDRN Cc1c(NC(=O)C(=O)NCCC2=CCCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000430329283 858123428 /nfs/dbraw/zinc/12/34/28/858123428.db2.gz IULVWMMWMOQZOR-UHFFFAOYSA-N 0 0 424.295 4.001 20 5 HIBDRN CCCCN(CCCC)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000430335711 858125387 /nfs/dbraw/zinc/12/53/87/858125387.db2.gz XIJGFBMRNRVNHF-UHFFFAOYSA-N 0 0 414.300 4.033 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000430390539 858142992 /nfs/dbraw/zinc/14/29/92/858142992.db2.gz FHHRIXDMANPOIG-UHFFFAOYSA-N 0 0 419.437 4.197 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000430435426 858161426 /nfs/dbraw/zinc/16/14/26/858161426.db2.gz QGIIBKVOCQGSNO-UHFFFAOYSA-N 0 0 413.783 4.307 20 5 HIBDRN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000430439765 858164660 /nfs/dbraw/zinc/16/46/60/858164660.db2.gz QEGKEZZYEPMVIK-LLVKDONJSA-N 0 0 418.862 4.268 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430441716 858165774 /nfs/dbraw/zinc/16/57/74/858165774.db2.gz XPVVLDNLYRNOFD-KRWDZBQOSA-N 0 0 422.403 4.478 20 5 HIBDRN CCNc1ccc(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000430449390 858171256 /nfs/dbraw/zinc/17/12/56/858171256.db2.gz NIPFNHPLOQMSBW-NSHDSACASA-N 0 0 415.837 4.221 20 5 HIBDRN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000430453378 858172842 /nfs/dbraw/zinc/17/28/42/858172842.db2.gz IHSZLDCUBMPLAL-GFCCVEGCSA-N 0 0 424.682 4.019 20 5 HIBDRN O=C(N[C@H]1Cc2cccc(O)c2C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000430499495 858201004 /nfs/dbraw/zinc/20/10/04/858201004.db2.gz ZUSVWCVMXVFSRL-INIZCTEOSA-N 0 0 412.511 4.480 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000430499979 858201291 /nfs/dbraw/zinc/20/12/91/858201291.db2.gz ONTVQACMSBGKHE-UKRRQHHQSA-N 0 0 405.907 4.124 20 5 HIBDRN CCOc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC ZINC000430523762 858207309 /nfs/dbraw/zinc/20/73/09/858207309.db2.gz IDPOQDCLPIGVFK-UHFFFAOYSA-N 0 0 416.474 4.456 20 5 HIBDRN O=C(N[C@@H](CO)CC(F)F)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000430535207 858210100 /nfs/dbraw/zinc/21/01/00/858210100.db2.gz UKXHZQPIRUAPFL-LLVKDONJSA-N 0 0 416.833 4.145 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(c2ccncc2)CC1 ZINC000430535845 858210234 /nfs/dbraw/zinc/21/02/34/858210234.db2.gz BSQPSYXLELPVOX-UHFFFAOYSA-N 0 0 419.431 4.374 20 5 HIBDRN CC(C)(NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000430543317 858212695 /nfs/dbraw/zinc/21/26/95/858212695.db2.gz MILICHSUDIQLJW-UHFFFAOYSA-N 0 0 420.425 4.375 20 5 HIBDRN Cc1cc(Sc2ncccn2)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430573725 858223765 /nfs/dbraw/zinc/22/37/65/858223765.db2.gz HOAIEQVAXMUXOB-UHFFFAOYSA-N 0 0 410.455 4.170 20 5 HIBDRN O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430594139 858231012 /nfs/dbraw/zinc/23/10/12/858231012.db2.gz GADAGAIFYGZFGK-PBHICJAKSA-N 0 0 403.276 4.499 20 5 HIBDRN O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430594143 858231167 /nfs/dbraw/zinc/23/11/67/858231167.db2.gz GADAGAIFYGZFGK-YOEHRIQHSA-N 0 0 403.276 4.499 20 5 HIBDRN O=C(NCc1ccccc1OC1CCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430625534 858240059 /nfs/dbraw/zinc/24/00/59/858240059.db2.gz JUUKKWSKQRELML-UHFFFAOYSA-N 0 0 405.248 4.219 20 5 HIBDRN COc1cc(C(=O)N2c3ccccc3SC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000430653210 858251056 /nfs/dbraw/zinc/25/10/56/858251056.db2.gz OJKFINXNZIPOAH-SNVBAGLBSA-N 0 0 410.398 4.346 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2c3ccccc3S[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000430669920 858261300 /nfs/dbraw/zinc/26/13/00/858261300.db2.gz SFYKBSZASQNECF-STQMWFEESA-N 0 0 400.456 4.301 20 5 HIBDRN Cc1cc(OCC(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)ccc1[N+](=O)[O-] ZINC000430684951 858268465 /nfs/dbraw/zinc/26/84/65/858268465.db2.gz OYHVSVARFWSXFN-UHFFFAOYSA-N 0 0 418.862 4.016 20 5 HIBDRN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430863934 858342720 /nfs/dbraw/zinc/34/27/20/858342720.db2.gz RVTBLKOKQWCDLV-WMZOPIPTSA-N 0 0 419.275 4.225 20 5 HIBDRN CCn1c(S[C@H](C)c2cc(C(=O)OC)c(C)o2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000430987365 858393993 /nfs/dbraw/zinc/39/39/93/858393993.db2.gz GHAMUIQUJAUBPR-GFCCVEGCSA-N 0 0 416.459 4.415 20 5 HIBDRN COC(=O)c1cc([C@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)oc1C ZINC000431076254 858436312 /nfs/dbraw/zinc/43/63/12/858436312.db2.gz IZPOBXQLRLPDRC-LBPRGKRZSA-N 0 0 420.443 4.075 20 5 HIBDRN NC(=O)c1cc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(Cl)cc1Cl ZINC000431125612 858457939 /nfs/dbraw/zinc/45/79/39/858457939.db2.gz CMTDICVIMSXPJH-UHFFFAOYSA-N 0 0 407.213 4.268 20 5 HIBDRN COc1cccc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC000431136754 858463950 /nfs/dbraw/zinc/46/39/50/858463950.db2.gz JJWQISZPMKZCLD-OAHLLOKOSA-N 0 0 423.238 4.482 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000431172746 858486348 /nfs/dbraw/zinc/48/63/48/858486348.db2.gz LQQMXVZDVWPNGC-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN COc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000431186828 858493989 /nfs/dbraw/zinc/49/39/89/858493989.db2.gz KIJYYUTXFFAWGA-UHFFFAOYSA-N 0 0 408.252 4.423 20 5 HIBDRN Cc1nnc(-c2ccc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)cc2)o1 ZINC000431185610 858494192 /nfs/dbraw/zinc/49/41/92/858494192.db2.gz ZPPRWADRGHRNTN-UHFFFAOYSA-N 0 0 417.219 4.276 20 5 HIBDRN CC(C)(NC(=O)Nc1ccc(OCC2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000431202469 858500452 /nfs/dbraw/zinc/50/04/52/858500452.db2.gz JCAOHUFDKHHFIM-UHFFFAOYSA-N 0 0 413.474 4.457 20 5 HIBDRN COC(=O)c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(OC(F)F)c1 ZINC000431201711 858500834 /nfs/dbraw/zinc/50/08/34/858500834.db2.gz DZMBWXICKXJWER-UHFFFAOYSA-N 0 0 423.372 4.040 20 5 HIBDRN CC(C)[C@H](NC(=O)COc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC000431217349 858511033 /nfs/dbraw/zinc/51/10/33/858511033.db2.gz IESHESFFCGORBH-KRWDZBQOSA-N 0 0 407.264 4.250 20 5 HIBDRN CCC(=O)c1ccc(OCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000431220058 858512883 /nfs/dbraw/zinc/51/28/83/858512883.db2.gz ALBWPGATICZRRD-UHFFFAOYSA-N 0 0 421.247 4.276 20 5 HIBDRN CC(=O)c1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(C)nc1C ZINC000431223022 858514150 /nfs/dbraw/zinc/51/41/50/858514150.db2.gz HXPWWTSMBQTBSB-UHFFFAOYSA-N 0 0 406.236 4.132 20 5 HIBDRN CC1(C)Cc2ccc(Cl)c(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2O1 ZINC000431226742 858516951 /nfs/dbraw/zinc/51/69/51/858516951.db2.gz UKTCTEDDLOVAHI-UHFFFAOYSA-N 0 0 412.833 4.400 20 5 HIBDRN Cc1c(NC(=O)c2cnn(CCC(F)(F)F)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431227553 858517144 /nfs/dbraw/zinc/51/71/44/858517144.db2.gz ZJXMBJIILWZWTL-UHFFFAOYSA-N 0 0 421.173 4.067 20 5 HIBDRN COc1cccc(CO[C@H](C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431229719 858518731 /nfs/dbraw/zinc/51/87/31/858518731.db2.gz GAYRFPRGBRFUPH-GFCCVEGCSA-N 0 0 423.263 4.218 20 5 HIBDRN CCc1c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cnn1CC(C)C ZINC000431231951 858519667 /nfs/dbraw/zinc/51/96/67/858519667.db2.gz AMRIQYPPCBXRMF-UHFFFAOYSA-N 0 0 409.284 4.333 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000437696801 863033150 /nfs/dbraw/zinc/03/31/50/863033150.db2.gz SBOIMOACLQVZBN-AWEZNQCLSA-N 0 0 418.881 4.168 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)n2cnc3ccccc32)cc(Br)cc1[N+](=O)[O-] ZINC000431264840 858539209 /nfs/dbraw/zinc/53/92/09/858539209.db2.gz UGGBRJOEBONWHQ-NSHDSACASA-N 0 0 403.236 4.215 20 5 HIBDRN CCCN(CCC)C(=O)CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431268262 858540467 /nfs/dbraw/zinc/54/04/67/858540467.db2.gz IMXIQKZSJXADDA-UHFFFAOYSA-N 0 0 414.300 4.033 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000431349857 858574963 /nfs/dbraw/zinc/57/49/63/858574963.db2.gz MWTZJDJWQHZLBW-LBPRGKRZSA-N 0 0 415.247 4.034 20 5 HIBDRN COCCOc1c(Cl)cccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431406320 858600038 /nfs/dbraw/zinc/60/00/38/858600038.db2.gz YTEZEZBXVFFTGV-UHFFFAOYSA-N 0 0 407.854 4.330 20 5 HIBDRN CC(C)(NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000431427429 858610177 /nfs/dbraw/zinc/61/01/77/858610177.db2.gz NTLSXCINTVDZBM-INIZCTEOSA-N 0 0 419.890 4.103 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccc(C)cc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000431436801 858614014 /nfs/dbraw/zinc/61/40/14/858614014.db2.gz VYRUYDAKQPJSQR-UHFFFAOYSA-N 0 0 418.881 4.309 20 5 HIBDRN O=C(Nc1cc(O)c(Br)cc1Br)c1ccccc1[N+](=O)[O-] ZINC000431450344 858621878 /nfs/dbraw/zinc/62/18/78/858621878.db2.gz QGZVDLMDSODOFT-UHFFFAOYSA-N 0 0 416.025 4.078 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431483054 858638806 /nfs/dbraw/zinc/63/88/06/858638806.db2.gz OBKGKWLCVYKIQF-ZWKOTPCHSA-N 0 0 419.275 4.316 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000431489722 858641710 /nfs/dbraw/zinc/64/17/10/858641710.db2.gz ZRZSRTCZYDKCHK-MRXNPFEDSA-N 0 0 407.239 4.344 20 5 HIBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000437714962 863047726 /nfs/dbraw/zinc/04/77/26/863047726.db2.gz DNCBICRWKWVJFX-HXUWFJFHSA-N 0 0 418.444 4.482 20 5 HIBDRN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431515279 858652586 /nfs/dbraw/zinc/65/25/86/858652586.db2.gz YNSJDDBQPOHHJH-SNVBAGLBSA-N 0 0 411.805 4.271 20 5 HIBDRN CCOc1c(Cl)cc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000431795201 858816343 /nfs/dbraw/zinc/81/63/43/858816343.db2.gz DZZCRXDIDYEEGR-UHFFFAOYSA-N 0 0 421.881 4.390 20 5 HIBDRN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000431820690 858827737 /nfs/dbraw/zinc/82/77/37/858827737.db2.gz DGJDYLKCDWQZIH-UHFFFAOYSA-N 0 0 409.236 4.041 20 5 HIBDRN CC(C)(NC(=O)NCc1ccnc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000431870918 858848172 /nfs/dbraw/zinc/84/81/72/858848172.db2.gz OLXHMNUYCHHZIF-UHFFFAOYSA-N 0 0 420.469 4.303 20 5 HIBDRN CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000431929330 858874663 /nfs/dbraw/zinc/87/46/63/858874663.db2.gz YSWGQCMEZFVDMG-KRWDZBQOSA-N 0 0 418.291 4.098 20 5 HIBDRN Cc1ccc([C@H](C)N2C(=O)N[C@H](Cc3cccc4ccccc43)C2=O)cc1[N+](=O)[O-] ZINC000431960131 858888139 /nfs/dbraw/zinc/88/81/39/858888139.db2.gz ZVAVONRXQDGWPI-MGPUTAFESA-N 0 0 403.438 4.281 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000432019610 858932681 /nfs/dbraw/zinc/93/26/81/858932681.db2.gz LSTCNQHUYXTKJD-SFHVURJKSA-N 0 0 417.412 4.398 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1c1ccc(F)cc1F ZINC000432043198 858947301 /nfs/dbraw/zinc/94/73/01/858947301.db2.gz ZRYZVSIWBLWMDP-SFHVURJKSA-N 0 0 405.401 4.047 20 5 HIBDRN CCOc1ccc(CN(CCCn2ccnc2)c2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000432053321 858952346 /nfs/dbraw/zinc/95/23/46/858952346.db2.gz OTTINHGNFISUIG-UHFFFAOYSA-N 0 0 415.881 4.335 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CC3(CCC3)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000432130860 859007014 /nfs/dbraw/zinc/00/70/14/859007014.db2.gz UAJOOUZKLWFKBY-NRFANRHFSA-N 0 0 402.454 4.291 20 5 HIBDRN CS(=O)(=O)c1cccc(NCC[C@H](c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC000432143498 859013415 /nfs/dbraw/zinc/01/34/15/859013415.db2.gz OIPHOKXAYJXPLX-CYBMUJFWSA-N 0 0 402.394 4.146 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H](c1ccccc1)C(F)(F)F ZINC000432163687 859024457 /nfs/dbraw/zinc/02/44/57/859024457.db2.gz OWROTBBIKBOJJJ-CQSZACIVSA-N 0 0 402.394 4.146 20 5 HIBDRN O=C(CCCc1ccccc1)N[C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432174425 859030668 /nfs/dbraw/zinc/03/06/68/859030668.db2.gz GNSXAEAKQQCHPX-IBGZPJMESA-N 0 0 418.497 4.251 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N(Cc1ccoc1)C1CCCCC1 ZINC000432189214 859038315 /nfs/dbraw/zinc/03/83/15/859038315.db2.gz BKXQLFVRYMBMJU-UHFFFAOYSA-N 0 0 409.442 4.476 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000432280414 859083206 /nfs/dbraw/zinc/08/32/06/859083206.db2.gz QFGGYSVCTRPARL-CYBMUJFWSA-N 0 0 400.378 4.148 20 5 HIBDRN O=C(NCc1ccco1)c1cccc(CNc2ccnc3c2cccc3[N+](=O)[O-])c1 ZINC000432315809 859100402 /nfs/dbraw/zinc/10/04/02/859100402.db2.gz SNLRQRAUNPQYPY-UHFFFAOYSA-N 0 0 402.410 4.278 20 5 HIBDRN COc1cc(OC)cc(N2CC[C@@H](CNc3ccnc4c3cccc4[N+](=O)[O-])C2)c1 ZINC000432327288 859104942 /nfs/dbraw/zinc/10/49/42/859104942.db2.gz RKTKCFFPPHCVIJ-HNNXBMFYSA-N 0 0 408.458 4.099 20 5 HIBDRN O=[N+]([O-])c1cccc2c(N3CCO[C@H](c4cccc(OC(F)F)c4)C3)ccnc21 ZINC000432332900 859106498 /nfs/dbraw/zinc/10/64/98/859106498.db2.gz CWEAEKTYBBYYFI-SFHVURJKSA-N 0 0 401.369 4.322 20 5 HIBDRN Cc1cc(NC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000432354379 859117031 /nfs/dbraw/zinc/11/70/31/859117031.db2.gz WOKPAWNCNDNCII-UHFFFAOYSA-N 0 0 413.865 4.487 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000432494697 859193275 /nfs/dbraw/zinc/19/32/75/859193275.db2.gz ONMFACGZUITBCT-OAQYLSRUSA-N 0 0 409.417 4.319 20 5 HIBDRN O=[N+]([O-])c1cc(CSCc2ncc(Br)s2)c2c(c1)COCO2 ZINC000432513103 859202666 /nfs/dbraw/zinc/20/26/66/859202666.db2.gz JLZGBEZUSQYVOX-UHFFFAOYSA-N 0 0 403.279 4.114 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000432543441 859217871 /nfs/dbraw/zinc/21/78/71/859217871.db2.gz AWKOEFGBYBMORW-UHFFFAOYSA-N 0 0 409.295 4.318 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC2(CCCC2)c2cccc(F)c21 ZINC000432568911 859230850 /nfs/dbraw/zinc/23/08/50/859230850.db2.gz VXDXYNWXPMOQDL-UHFFFAOYSA-N 0 0 406.417 4.392 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432587746 859241637 /nfs/dbraw/zinc/24/16/37/859241637.db2.gz MDUKAVDIEIXVIO-INIZCTEOSA-N 0 0 424.482 4.322 20 5 HIBDRN C[C@@H]1CC2(CCC2)CN1C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000432626031 859260344 /nfs/dbraw/zinc/26/03/44/859260344.db2.gz FISIZEDVLLXHNG-MRXNPFEDSA-N 0 0 421.497 4.297 20 5 HIBDRN CCCOc1cc(NC(=O)N2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])cc1OCCC ZINC000432645270 859270075 /nfs/dbraw/zinc/27/00/75/859270075.db2.gz VPTGERJPJOLLTC-IBGZPJMESA-N 0 0 421.494 4.084 20 5 HIBDRN Cn1ccnc1-c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000432657309 859277308 /nfs/dbraw/zinc/27/73/08/859277308.db2.gz QCZNFOHKRPBCNM-UHFFFAOYSA-N 0 0 401.220 4.010 20 5 HIBDRN O=C(Cc1cscc1Br)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000432713036 859312591 /nfs/dbraw/zinc/31/25/91/859312591.db2.gz GURCMJIIDNPFEW-UHFFFAOYSA-N 0 0 407.192 4.201 20 5 HIBDRN Cc1ccccc1-c1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n(C)n1 ZINC000432748274 859333318 /nfs/dbraw/zinc/33/33/18/859333318.db2.gz ONFFELNPGBBSRX-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCc3ncoc3-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000467601054 881408669 /nfs/dbraw/zinc/40/86/69/881408669.db2.gz NISVCDBUUWAEGZ-INIZCTEOSA-N 0 0 420.469 4.416 20 5 HIBDRN CCOC(=O)Cn1ccc2cc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])ccc21 ZINC000432798098 859366305 /nfs/dbraw/zinc/36/63/05/859366305.db2.gz NOUWGLSHVKTGDD-UHFFFAOYSA-N 0 0 424.457 4.169 20 5 HIBDRN COc1ccccc1-c1noc(C2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)n1 ZINC000432846108 859385533 /nfs/dbraw/zinc/38/55/33/859385533.db2.gz MJVGJHFXMKPUIA-UHFFFAOYSA-N 0 0 409.446 4.049 20 5 HIBDRN COc1ccc(Br)cc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000432913451 859427098 /nfs/dbraw/zinc/42/70/98/859427098.db2.gz PTCQZLOJUCXBDF-UHFFFAOYSA-N 0 0 408.252 4.423 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCOc2c(F)cccc2C1 ZINC000432946255 859441459 /nfs/dbraw/zinc/44/14/59/859441459.db2.gz WOKOZWZOACKKSY-UHFFFAOYSA-N 0 0 407.270 4.182 20 5 HIBDRN CCc1cc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000432989325 859465779 /nfs/dbraw/zinc/46/57/79/859465779.db2.gz PUQHQPGZPSLSAI-UHFFFAOYSA-N 0 0 419.481 4.123 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CC[S@@](=O)C[C@@H](C)C3)cc2[N+](=O)[O-])cc1 ZINC000433033458 859491033 /nfs/dbraw/zinc/49/10/33/859491033.db2.gz VRDJEAFPSDLNOP-RKOGDMNLSA-N 0 0 404.557 4.255 20 5 HIBDRN C[C@@H]1CC[S@](=O)CCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000433034953 859492070 /nfs/dbraw/zinc/49/20/70/859492070.db2.gz VAVGTCFYDOEDNE-ASHKIFAZSA-N 0 0 408.907 4.383 20 5 HIBDRN CC(C)(NC(=O)Nc1nnc(Cc2cccc(F)c2)s1)c1ccccc1[N+](=O)[O-] ZINC000433143913 859539315 /nfs/dbraw/zinc/53/93/15/859539315.db2.gz ADEYFRUTIHPKKR-UHFFFAOYSA-N 0 0 415.450 4.233 20 5 HIBDRN CC(C)[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2ccccc2N1 ZINC000433215691 859571762 /nfs/dbraw/zinc/57/17/62/859571762.db2.gz QXHYDVUAKGDIAB-MRXNPFEDSA-N 0 0 404.264 4.454 20 5 HIBDRN Cc1oc2nc(CSc3nc4cc5ccccc5cc4c(=O)n3C)nc(N)c2c1C ZINC000433403349 859680328 /nfs/dbraw/zinc/68/03/28/859680328.db2.gz NXGSFXPYTGAZQA-UHFFFAOYSA-N 0 0 417.494 4.114 20 5 HIBDRN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433584598 859795127 /nfs/dbraw/zinc/79/51/27/859795127.db2.gz ISCKRWPBNLGFRI-DJJJIMSYSA-N 0 0 409.467 4.183 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc2cc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000433633737 859818264 /nfs/dbraw/zinc/81/82/64/859818264.db2.gz MSAYBHHFDVIFJA-GOSISDBHSA-N 0 0 410.430 4.281 20 5 HIBDRN CSC1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCC1 ZINC000433691373 859839552 /nfs/dbraw/zinc/83/95/52/859839552.db2.gz YYMHSWDQNVTZJT-UHFFFAOYSA-N 0 0 415.302 4.103 20 5 HIBDRN O=C(C[C@H]1C=CCC1)Nc1ccccc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433697950 859841776 /nfs/dbraw/zinc/84/17/76/859841776.db2.gz SBOPNPKDKOFTHK-HRAATJIYSA-N 0 0 420.469 4.107 20 5 HIBDRN O=C(Nc1ccccc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000433711576 859847695 /nfs/dbraw/zinc/84/76/95/859847695.db2.gz FFNAOEJPQKOSDY-NRFANRHFSA-N 0 0 416.437 4.065 20 5 HIBDRN O=C(Nc1ccccc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000433711478 859847824 /nfs/dbraw/zinc/84/78/24/859847824.db2.gz XLBFQHKLZMZKFA-SFHVURJKSA-N 0 0 422.466 4.126 20 5 HIBDRN Cc1c(Br)ccc(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1F ZINC000433758938 859879901 /nfs/dbraw/zinc/87/99/01/859879901.db2.gz UWXFDBKXRWBLOA-UHFFFAOYSA-N 0 0 422.214 4.003 20 5 HIBDRN O=C(NCc1cc(F)c(Cl)cc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000433977382 860012075 /nfs/dbraw/zinc/01/20/75/860012075.db2.gz UMRWCYKPQBGRAK-UHFFFAOYSA-N 0 0 409.820 4.059 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000433994500 860024582 /nfs/dbraw/zinc/02/45/82/860024582.db2.gz SMFCUQFSYNDMBS-ZDUSSCGKSA-N 0 0 407.268 4.181 20 5 HIBDRN COc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)ccc1Cl ZINC000434047480 860062913 /nfs/dbraw/zinc/06/29/13/860062913.db2.gz PKXSJPIWEWWPAC-UHFFFAOYSA-N 0 0 414.849 4.371 20 5 HIBDRN Cc1nn(CCC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000434158290 860152779 /nfs/dbraw/zinc/15/27/79/860152779.db2.gz SKJCEKXMUSLQGF-LLVKDONJSA-N 0 0 411.289 4.251 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NC2(c3ccc(Br)cc3)CCCC2)c1[N+](=O)[O-] ZINC000434189522 860178671 /nfs/dbraw/zinc/17/86/71/860178671.db2.gz NTWZNOVSDDGKPI-UHFFFAOYSA-N 0 0 421.295 4.403 20 5 HIBDRN CCOc1cc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OCC ZINC000434231239 860215511 /nfs/dbraw/zinc/21/55/11/860215511.db2.gz LXPASQCLJHVRNM-NSHDSACASA-N 0 0 405.373 4.198 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000434250894 860229742 /nfs/dbraw/zinc/22/97/42/860229742.db2.gz SVOOELGBHKQCDR-CRAIPNDOSA-N 0 0 400.500 4.241 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000434281097 860248902 /nfs/dbraw/zinc/24/89/02/860248902.db2.gz PMLVNFFKRPTLHF-HNNXBMFYSA-N 0 0 413.449 4.408 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000434360449 860309658 /nfs/dbraw/zinc/30/96/58/860309658.db2.gz QTLQXYBMBXLYGS-UHFFFAOYSA-N 0 0 408.380 4.390 20 5 HIBDRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000434377815 860323205 /nfs/dbraw/zinc/32/32/05/860323205.db2.gz QPLZAERVTAPVNQ-INIZCTEOSA-N 0 0 412.490 4.279 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCSC(C)(C)C2)cc1 ZINC000434377699 860323386 /nfs/dbraw/zinc/32/33/86/860323386.db2.gz AQIHBZJLFWPSTK-UHFFFAOYSA-N 0 0 402.472 4.363 20 5 HIBDRN Cc1ccc(-c2[nH]nc(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)c2C)o1 ZINC000434432691 860348096 /nfs/dbraw/zinc/34/80/96/860348096.db2.gz LOVOEVGWVVOKOA-ZDUSSCGKSA-N 0 0 423.473 4.683 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCCN(Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000434832711 860512226 /nfs/dbraw/zinc/51/22/26/860512226.db2.gz SOKGBEXRBITXPV-UHFFFAOYSA-N 0 0 400.866 4.097 20 5 HIBDRN CCOc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000467749115 881555334 /nfs/dbraw/zinc/55/53/34/881555334.db2.gz YUKXIUOTNUNJLL-QGZVFWFLSA-N 0 0 422.503 4.068 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000434998884 860590935 /nfs/dbraw/zinc/59/09/35/860590935.db2.gz ICEGGHJNBBKCOG-UHFFFAOYSA-N 0 0 418.519 4.016 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000467753777 881565010 /nfs/dbraw/zinc/56/50/10/881565010.db2.gz RXEIWKGGTBVGTI-WQCNXYOZSA-N 0 0 406.548 4.499 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000467752444 881562125 /nfs/dbraw/zinc/56/21/25/881562125.db2.gz LKSRGRRSSTZEFA-PZQWHJIPSA-N 0 0 422.500 4.222 20 5 HIBDRN Cc1c(NC(=O)c2cc(I)c(F)cc2F)cccc1[N+](=O)[O-] ZINC000435162464 860671379 /nfs/dbraw/zinc/67/13/79/860671379.db2.gz KUAHRBKPRXUGFX-UHFFFAOYSA-N 0 0 418.137 4.038 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000435230856 860701552 /nfs/dbraw/zinc/70/15/52/860701552.db2.gz DXXRWFGQZNJCGW-CQSZACIVSA-N 0 0 405.472 4.226 20 5 HIBDRN COCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@@H]1CC[C@H](C)C1 ZINC000435322297 860734306 /nfs/dbraw/zinc/73/43/06/860734306.db2.gz BOFLPDCOQREWDW-SMDDNHRTSA-N 0 0 414.300 4.335 20 5 HIBDRN Cc1c(NC(=O)N2CCN(c3ccccc3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435322466 860734312 /nfs/dbraw/zinc/73/43/12/860734312.db2.gz CZGJUOBZYSRIMC-UHFFFAOYSA-N 0 0 419.279 4.020 20 5 HIBDRN Cc1c(NC(=O)NCc2ncc(C(C)(C)C)o2)cc(Br)cc1[N+](=O)[O-] ZINC000435322260 860734315 /nfs/dbraw/zinc/73/43/15/860734315.db2.gz BGLGMLFLMKXBHT-UHFFFAOYSA-N 0 0 411.256 4.273 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@]3(CCCOC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435323426 860734672 /nfs/dbraw/zinc/73/46/72/860734672.db2.gz MQCBJPAHKYSYGA-KRWDZBQOSA-N 0 0 412.284 4.090 20 5 HIBDRN Cc1c(NC(=O)Nc2c[nH]nc2-c2ccccn2)cc(Br)cc1[N+](=O)[O-] ZINC000435322824 860734845 /nfs/dbraw/zinc/73/48/45/860734845.db2.gz HDDGSDUMIFSCLX-UHFFFAOYSA-N 0 0 417.223 4.095 20 5 HIBDRN COc1ccc(CN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1O ZINC000435323978 860735844 /nfs/dbraw/zinc/73/58/44/860735844.db2.gz RDYMYXMABZYXGN-UHFFFAOYSA-N 0 0 424.251 4.044 20 5 HIBDRN COC1CCC(N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000435327851 860739143 /nfs/dbraw/zinc/73/91/43/860739143.db2.gz IZFKWRWMDOHAJQ-UHFFFAOYSA-N 0 0 400.273 4.087 20 5 HIBDRN CCS[C@H]1CCC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435329493 860740690 /nfs/dbraw/zinc/74/06/90/860740690.db2.gz PXUZTDZKNKSZGY-RISCZKNCSA-N 0 0 402.314 4.461 20 5 HIBDRN Cc1c(NC(=O)NCc2cccc(N(C)C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000435331148 860742472 /nfs/dbraw/zinc/74/24/72/860742472.db2.gz YSBSLJQIYCQMHK-UHFFFAOYSA-N 0 0 407.268 4.053 20 5 HIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435359667 860760506 /nfs/dbraw/zinc/76/05/06/860760506.db2.gz VAEJXUORFWBKQQ-SECBINFHSA-N 0 0 403.357 4.229 20 5 HIBDRN Cc1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1-c1ccccc1F ZINC000435375905 860774240 /nfs/dbraw/zinc/77/42/40/860774240.db2.gz OTPUFDCZZXMCLP-UHFFFAOYSA-N 0 0 423.448 4.083 20 5 HIBDRN CCCOc1ccc2c(c1)CCN(C(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)C2 ZINC000435392949 860783180 /nfs/dbraw/zinc/78/31/80/860783180.db2.gz ICCYVQUUTKTVNT-UHFFFAOYSA-N 0 0 423.513 4.185 20 5 HIBDRN C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435449142 860802093 /nfs/dbraw/zinc/80/20/93/860802093.db2.gz OJSSCTHZULPODJ-GXTWGEPZSA-N 0 0 408.501 4.330 20 5 HIBDRN O=C(NC[C@@H]1CC=CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435501520 860824321 /nfs/dbraw/zinc/82/43/21/860824321.db2.gz LWZZWHDWGMYIIA-CYBMUJFWSA-N 0 0 417.512 4.219 20 5 HIBDRN C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435511991 860830168 /nfs/dbraw/zinc/83/01/68/860830168.db2.gz SQCWXFNEGUPGPM-JSGCOSHPSA-N 0 0 419.528 4.441 20 5 HIBDRN COc1cccc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c1[N+](=O)[O-] ZINC000435511958 860830417 /nfs/dbraw/zinc/83/04/17/860830417.db2.gz SICRIMBICCBXBU-UHFFFAOYSA-N 0 0 405.382 4.181 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c1[N+](=O)[O-] ZINC000435517965 860836194 /nfs/dbraw/zinc/83/61/94/860836194.db2.gz SFGRNRYWWXRECW-HNNXBMFYSA-N 0 0 411.458 4.179 20 5 HIBDRN COc1cccc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c1[N+](=O)[O-] ZINC000435546386 860861388 /nfs/dbraw/zinc/86/13/88/860861388.db2.gz RSZGKNQFNNOAEN-UHFFFAOYSA-N 0 0 421.240 4.407 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(COCCOc3ccccc3)c2)c1[N+](=O)[O-] ZINC000435556620 860875859 /nfs/dbraw/zinc/87/58/59/860875859.db2.gz DXHVUPFGEXFGIL-UHFFFAOYSA-N 0 0 422.437 4.451 20 5 HIBDRN COc1cccc(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)c1[N+](=O)[O-] ZINC000435556748 860876080 /nfs/dbraw/zinc/87/60/80/860876080.db2.gz FGROTWUIJLQTIA-GOSISDBHSA-N 0 0 410.401 4.293 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)cc(Br)c1F ZINC000435621762 860923940 /nfs/dbraw/zinc/92/39/40/860923940.db2.gz OOGBQENZWXISPQ-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)c(Cl)c1F ZINC000435621311 860924521 /nfs/dbraw/zinc/92/45/21/860924521.db2.gz KMBWAXWCMGMNKC-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN COc1cccc(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)c1[N+](=O)[O-] ZINC000435629736 860927578 /nfs/dbraw/zinc/92/75/78/860927578.db2.gz VBFZQOSNDKZOKM-UHFFFAOYSA-N 0 0 423.238 4.310 20 5 HIBDRN COc1cccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)c1[N+](=O)[O-] ZINC000435638531 860928827 /nfs/dbraw/zinc/92/88/27/860928827.db2.gz UYCXSHKZLUODMC-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000435642167 860930318 /nfs/dbraw/zinc/93/03/18/860930318.db2.gz RECYDEUWBUQGSL-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000435667629 860946646 /nfs/dbraw/zinc/94/66/46/860946646.db2.gz NOZUCWWOASIPEY-AWEZNQCLSA-N 0 0 408.410 4.315 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)ccc1[N+](=O)[O-] ZINC000435678168 860958795 /nfs/dbraw/zinc/95/87/95/860958795.db2.gz MRADDRDNUKZRNJ-UHFFFAOYSA-N 0 0 411.433 4.309 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(Cl)ccc2Sc2nccn2C)c1[N+](=O)[O-] ZINC000435683815 860964677 /nfs/dbraw/zinc/96/46/77/860964677.db2.gz QVFHBDPBHCZFAN-UHFFFAOYSA-N 0 0 418.862 4.394 20 5 HIBDRN Cc1sc(S(=O)(=O)Nc2cc3c(cc2Br)CCC3)cc1[N+](=O)[O-] ZINC000435737966 861018443 /nfs/dbraw/zinc/01/84/43/861018443.db2.gz NIVQWYVGSFPTSZ-UHFFFAOYSA-N 0 0 417.306 4.017 20 5 HIBDRN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2nc(C3CCCCC3)cs2)C1=O ZINC000435787472 861061183 /nfs/dbraw/zinc/06/11/83/861061183.db2.gz NPWPOXQRWZLMHK-FQEVSTJZSA-N 0 0 414.487 4.066 20 5 HIBDRN CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435825281 861090154 /nfs/dbraw/zinc/09/01/54/861090154.db2.gz KHWLZBJQZIZMKR-UHFFFAOYSA-N 0 0 406.869 4.486 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000435872225 861132240 /nfs/dbraw/zinc/13/22/40/861132240.db2.gz XIVUNSFZPXCORD-LJAQVGFWSA-N 0 0 410.451 4.164 20 5 HIBDRN COc1cccc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000435875019 861134769 /nfs/dbraw/zinc/13/47/69/861134769.db2.gz PUYRSCRGBTXQRN-KRWDZBQOSA-N 0 0 417.893 4.041 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c1[N+](=O)[O-] ZINC000435881932 861140480 /nfs/dbraw/zinc/14/04/80/861140480.db2.gz RBYZHQBCGHTDDN-GDLZYMKVSA-N 0 0 416.499 4.437 20 5 HIBDRN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435922427 861181709 /nfs/dbraw/zinc/18/17/09/861181709.db2.gz JJXFTRZQHFZLEX-UHFFFAOYSA-N 0 0 407.332 4.059 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000435921785 861181770 /nfs/dbraw/zinc/18/17/70/861181770.db2.gz FRPQIRVENPKDQI-UHFFFAOYSA-N 0 0 424.848 4.184 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000437927957 863304010 /nfs/dbraw/zinc/30/40/10/863304010.db2.gz OXBFQVWQWCEXGK-OAHLLOKOSA-N 0 0 422.485 4.379 20 5 HIBDRN COc1cc(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)c([N+](=O)[O-])cc1OC ZINC000437936918 863312544 /nfs/dbraw/zinc/31/25/44/863312544.db2.gz WHODAOAGGNJKSB-UHFFFAOYSA-N 0 0 411.241 4.117 20 5 HIBDRN CC[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Oc1ccccc1F ZINC000437999506 863361483 /nfs/dbraw/zinc/36/14/83/863361483.db2.gz OLCILSWDCWHQAJ-KRWDZBQOSA-N 0 0 401.438 4.266 20 5 HIBDRN CC(C)COC[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000438000393 863362240 /nfs/dbraw/zinc/36/22/40/863362240.db2.gz HNWATUIPVXQZNK-GOSISDBHSA-N 0 0 401.463 4.276 20 5 HIBDRN O=C(NCc1ccccc1Br)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438015608 863374620 /nfs/dbraw/zinc/37/46/20/863374620.db2.gz GGWIPFKEMAZIAU-UHFFFAOYSA-N 0 0 404.264 4.232 20 5 HIBDRN COc1cc(C(=O)N(CCC(F)(F)F)CC2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000438025826 863383952 /nfs/dbraw/zinc/38/39/52/863383952.db2.gz WJUWXAUCVGAYCY-UHFFFAOYSA-N 0 0 412.311 4.009 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCc1ccccn1)Cc1ccncc1 ZINC000438087538 863486856 /nfs/dbraw/zinc/48/68/56/863486856.db2.gz GBKLKZVMDYKJOU-OAQYLSRUSA-N 0 0 418.497 4.225 20 5 HIBDRN CCSc1ccc(Cl)cc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000438319791 863798598 /nfs/dbraw/zinc/79/85/98/863798598.db2.gz XHDZWSKAMDIEGK-ZDUSSCGKSA-N 0 0 406.895 4.082 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1SC ZINC000438466714 863888285 /nfs/dbraw/zinc/88/82/85/863888285.db2.gz NYPVJEKUCPDGRV-MNOVXSKESA-N 0 0 406.426 4.424 20 5 HIBDRN Cn1cc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438538511 863963890 /nfs/dbraw/zinc/96/38/90/863963890.db2.gz FQZCTCRYZLTDGF-JSGCOSHPSA-N 0 0 410.396 4.094 20 5 HIBDRN COc1cnccc1[C@@H](C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000438610169 864037097 /nfs/dbraw/zinc/03/70/97/864037097.db2.gz KRLRSEZDMJUSFT-OAHLLOKOSA-N 0 0 406.442 4.102 20 5 HIBDRN COc1cnccc1[C@@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000438614207 864038982 /nfs/dbraw/zinc/03/89/82/864038982.db2.gz ONZAGIDMGGJUTQ-CABCVRRESA-N 0 0 421.457 4.058 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000438644377 864082199 /nfs/dbraw/zinc/08/21/99/864082199.db2.gz WISWPKUDGQEFSO-UHFFFAOYSA-N 0 0 403.410 4.386 20 5 HIBDRN CSc1cccc(C)c1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000438656916 864101983 /nfs/dbraw/zinc/10/19/83/864101983.db2.gz SCVIHAJBENCHBT-UHFFFAOYSA-N 0 0 401.488 4.001 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccccc1OC(C)(C)C ZINC000438667172 864124532 /nfs/dbraw/zinc/12/45/32/864124532.db2.gz SUTSKOFSUATOBN-UHFFFAOYSA-N 0 0 413.474 4.148 20 5 HIBDRN O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000438684700 864150003 /nfs/dbraw/zinc/15/00/03/864150003.db2.gz KTRBKJVPJRTIRH-LSDHHAIUSA-N 0 0 403.276 4.499 20 5 HIBDRN O=[N+]([O-])c1cnn(C[C@@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000438787448 864280003 /nfs/dbraw/zinc/28/00/03/864280003.db2.gz WDDGGMFKLHMLRM-GOSISDBHSA-N 0 0 422.466 4.267 20 5 HIBDRN C[C@H]1Sc2ccccc2N(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@H]1C ZINC000438822591 864316624 /nfs/dbraw/zinc/31/66/24/864316624.db2.gz WBIBYUQTVMPEMK-QWHCGFSZSA-N 0 0 415.496 4.221 20 5 HIBDRN Cc1c(CC(=O)N[C@@H](c2ccccc2)c2ccc3[nH]cnc3c2)cccc1[N+](=O)[O-] ZINC000438829162 864324053 /nfs/dbraw/zinc/32/40/53/864324053.db2.gz JPCRJHZKTYPHNP-QHCPKHFHSA-N 0 0 400.438 4.228 20 5 HIBDRN CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(C)c1 ZINC000438837363 864330479 /nfs/dbraw/zinc/33/04/79/864330479.db2.gz SDTNBKZSLPWKHZ-ZDUSSCGKSA-N 0 0 417.487 4.380 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cccc1[N+](=O)[O-] ZINC000438894679 864375807 /nfs/dbraw/zinc/37/58/07/864375807.db2.gz MSJVEBIPHYFVJO-UHFFFAOYSA-N 0 0 421.428 4.154 20 5 HIBDRN Cc1c(CC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cccc1[N+](=O)[O-] ZINC000438913541 864392011 /nfs/dbraw/zinc/39/20/11/864392011.db2.gz QXLPYZBCYOHDQF-QGZVFWFLSA-N 0 0 424.432 4.041 20 5 HIBDRN CC(C)c1ccc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000438959707 864428302 /nfs/dbraw/zinc/42/83/02/864428302.db2.gz AKHFZFADDJGEMT-UHFFFAOYSA-N 0 0 418.453 4.296 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000438964519 864431621 /nfs/dbraw/zinc/43/16/21/864431621.db2.gz WWZUGZXTJLHTHY-UHFFFAOYSA-N 0 0 408.458 4.251 20 5 HIBDRN C[C@@H]1C[C@@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CO1 ZINC000438969405 864435465 /nfs/dbraw/zinc/43/54/65/864435465.db2.gz RVPRACIIYFHDBN-DGCLKSJQSA-N 0 0 408.813 4.221 20 5 HIBDRN Cc1c(CC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000439081463 864530764 /nfs/dbraw/zinc/53/07/64/864530764.db2.gz YQQQVBMIHHCIDH-IBGZPJMESA-N 0 0 406.442 4.250 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439087077 864533435 /nfs/dbraw/zinc/53/34/35/864533435.db2.gz RJYAHYOXTINPMM-QWHCGFSZSA-N 0 0 406.280 4.158 20 5 HIBDRN COc1ccc(CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1OC(F)F ZINC000439100739 864540996 /nfs/dbraw/zinc/54/09/96/864540996.db2.gz MSUPOSLROYUFPL-UHFFFAOYSA-N 0 0 414.792 4.139 20 5 HIBDRN CC(C)c1ccc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000439105406 864542887 /nfs/dbraw/zinc/54/28/87/864542887.db2.gz HYSPQNZZOMSSFS-UHFFFAOYSA-N 0 0 401.438 4.347 20 5 HIBDRN CCOC(=O)c1sc(N(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C2CC2)nc1C ZINC000439109173 864546102 /nfs/dbraw/zinc/54/61/02/864546102.db2.gz FOORYKCANLYSSO-UHFFFAOYSA-N 0 0 417.487 4.469 20 5 HIBDRN COCCNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000439109416 864547513 /nfs/dbraw/zinc/54/75/13/864547513.db2.gz QOWRBHBYDCUKBV-UHFFFAOYSA-N 0 0 419.865 4.000 20 5 HIBDRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000439119668 864555469 /nfs/dbraw/zinc/55/54/69/864555469.db2.gz RFFXGKMTERUHDG-MRXNPFEDSA-N 0 0 409.486 4.407 20 5 HIBDRN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439141553 864574214 /nfs/dbraw/zinc/57/42/14/864574214.db2.gz NXXGLQXSVCMEOO-UHFFFAOYSA-N 0 0 401.850 4.353 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)c([N+](=O)[O-])cc1OC ZINC000439167432 864596876 /nfs/dbraw/zinc/59/68/76/864596876.db2.gz MWLKITOKCOWQFH-SJLPKXTDSA-N 0 0 408.495 4.106 20 5 HIBDRN Cc1c(CC(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)cccc1[N+](=O)[O-] ZINC000439169797 864598126 /nfs/dbraw/zinc/59/81/26/864598126.db2.gz OFTQZQCPDWIJSA-LLVKDONJSA-N 0 0 409.255 4.095 20 5 HIBDRN COC(=O)c1cc(Cl)ccc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000439247024 864664271 /nfs/dbraw/zinc/66/42/71/864664271.db2.gz FFZZXIUGXIFEMS-UHFFFAOYSA-N 0 0 411.801 4.349 20 5 HIBDRN COC(=O)CCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000439260426 864676299 /nfs/dbraw/zinc/67/62/99/864676299.db2.gz PJVNMXNGPUFVKL-UHFFFAOYSA-N 0 0 423.400 4.006 20 5 HIBDRN CSc1ccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000439307752 864737433 /nfs/dbraw/zinc/73/74/33/864737433.db2.gz XMBYFWKYYYIFBK-UHFFFAOYSA-N 0 0 400.243 4.201 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000439381472 864812045 /nfs/dbraw/zinc/81/20/45/864812045.db2.gz DNSDLYKXEFRCKZ-MDRZDLKXSA-N 0 0 415.412 4.407 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CCCc4c5cccc(F)c5[nH]c4C3)n2)c1 ZINC000439484471 864848505 /nfs/dbraw/zinc/84/85/05/864848505.db2.gz DXAMATSHXOPKJY-UHFFFAOYSA-N 0 0 407.405 4.214 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)cc1[N+](=O)[O-] ZINC000439498423 864854078 /nfs/dbraw/zinc/85/40/78/864854078.db2.gz JOGNCKLESIDPLI-UHFFFAOYSA-N 0 0 404.470 4.229 20 5 HIBDRN CC[C@H](C)[C@@](C)(O)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000439501776 864856012 /nfs/dbraw/zinc/85/60/12/864856012.db2.gz UBKJPXNBIWEYHD-QKKBWIMNSA-N 0 0 419.909 4.387 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000467940808 881810621 /nfs/dbraw/zinc/81/06/21/881810621.db2.gz DTORYJHIAOWEGW-SFHVURJKSA-N 0 0 409.446 4.258 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cccc(-c3nc(C)co3)c2)cc1[N+](=O)[O-] ZINC000467964645 881824481 /nfs/dbraw/zinc/82/44/81/881824481.db2.gz LCKAYPTUWFPDKM-UHFFFAOYSA-N 0 0 413.455 4.439 20 5 HIBDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000439688034 865024249 /nfs/dbraw/zinc/02/42/49/865024249.db2.gz OSUHBMRJSADUIA-UHFFFAOYSA-N 0 0 422.485 4.240 20 5 HIBDRN CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OCC)[C@H](CC)c1ccccc1 ZINC000439694217 865030798 /nfs/dbraw/zinc/03/07/98/865030798.db2.gz BKLRHWIDXXMBMZ-LJQANCHMSA-N 0 0 413.474 4.322 20 5 HIBDRN Cc1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1OCC1CCOCC1 ZINC000467979761 881831292 /nfs/dbraw/zinc/83/12/92/881831292.db2.gz MBNCGYLTBNRSQA-UHFFFAOYSA-N 0 0 413.474 4.073 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3-c3cn[nH]c3)cc2[N+](=O)[O-])C1 ZINC000439744927 865076370 /nfs/dbraw/zinc/07/63/70/865076370.db2.gz LSSCAQUGFVGTJK-OAHLLOKOSA-N 0 0 405.458 4.474 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000439789918 865110374 /nfs/dbraw/zinc/11/03/74/865110374.db2.gz SCWWGRNHXHTTJM-UHFFFAOYSA-N 0 0 420.256 4.717 20 5 HIBDRN CC[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000439839587 865153323 /nfs/dbraw/zinc/15/33/23/865153323.db2.gz GPEDHGVIISAQFN-CYBMUJFWSA-N 0 0 400.328 4.340 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000439878559 865189673 /nfs/dbraw/zinc/18/96/73/865189673.db2.gz CKCRRZIBSUAZKF-UHFFFAOYSA-N 0 0 414.462 4.394 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000439880355 865192494 /nfs/dbraw/zinc/19/24/94/865192494.db2.gz RNRRWYTUUGCWGN-UHFFFAOYSA-N 0 0 415.446 4.443 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000439882317 865193888 /nfs/dbraw/zinc/19/38/88/865193888.db2.gz AFUJOCYRQXIKIN-HNNXBMFYSA-N 0 0 405.476 4.268 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000439886906 865199294 /nfs/dbraw/zinc/19/92/94/865199294.db2.gz FBYCSUZXJYOCFA-UHFFFAOYSA-N 0 0 414.462 4.021 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000439893872 865205454 /nfs/dbraw/zinc/20/54/54/865205454.db2.gz YTHXKKBCALGEGA-KGLIPLIRSA-N 0 0 407.373 4.273 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC([C@@H]4CCCO4)CC3)cc2[N+](=O)[O-])C1 ZINC000439898915 865211078 /nfs/dbraw/zinc/21/10/78/865211078.db2.gz JKZIACGMEHCBJX-JKSBSHDWSA-N 0 0 415.534 4.108 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC([C@@H]4CCCO4)CC3)cc2[N+](=O)[O-])C1 ZINC000439898916 865211293 /nfs/dbraw/zinc/21/12/93/865211293.db2.gz JKZIACGMEHCBJX-YVHKJVDXSA-N 0 0 415.534 4.108 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC000439905110 865216298 /nfs/dbraw/zinc/21/62/98/865216298.db2.gz SQDUQZDYJXSXNY-UHFFFAOYSA-N 0 0 417.487 4.151 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000439910494 865219191 /nfs/dbraw/zinc/21/91/91/865219191.db2.gz QRGZCNDRFUQDBJ-HNNXBMFYSA-N 0 0 409.446 4.121 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000439920152 865225791 /nfs/dbraw/zinc/22/57/91/865225791.db2.gz XCNRJXGSGAKUJP-YJBOKZPZSA-N 0 0 405.838 4.299 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000439934505 865234735 /nfs/dbraw/zinc/23/47/35/865234735.db2.gz RXMHCWUIBDKPRZ-KRWDZBQOSA-N 0 0 422.445 4.148 20 5 HIBDRN CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000440143794 865378269 /nfs/dbraw/zinc/37/82/69/865378269.db2.gz PYUKZFJDZLUGNQ-UHFFFAOYSA-N 0 0 401.850 4.182 20 5 HIBDRN COC(=O)c1cc(Br)cc(NC(=O)c2csc([N+](=O)[O-])c2)c1Cl ZINC000440170309 865396934 /nfs/dbraw/zinc/39/69/34/865396934.db2.gz RFNNLABYAJWULG-UHFFFAOYSA-N 0 0 419.640 4.111 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCC[C@H](C)CC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000468070143 881885816 /nfs/dbraw/zinc/88/58/16/881885816.db2.gz HMWAHHOVCSGREU-UONOGXRCSA-N 0 0 419.503 4.338 20 5 HIBDRN CNC(=O)Cc1nc(CSc2nc3ccccc3c3nc4ccccc4n32)cs1 ZINC000468085503 881893829 /nfs/dbraw/zinc/89/38/29/881893829.db2.gz CLNNHXWPWGNQRN-UHFFFAOYSA-N 0 0 419.535 4.073 20 5 HIBDRN C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000440428235 865727819 /nfs/dbraw/zinc/72/78/19/865727819.db2.gz ACPLAMWBOIWFHO-AWEZNQCLSA-N 0 0 419.466 4.280 20 5 HIBDRN Cc1ccc(Nc2nc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cs2)cc1 ZINC000440494708 865794677 /nfs/dbraw/zinc/79/46/77/865794677.db2.gz NCMTVONEBNOQDQ-MRXNPFEDSA-N 0 0 410.503 4.185 20 5 HIBDRN O=C(NCCCC(F)(F)F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000440507404 865800624 /nfs/dbraw/zinc/80/06/24/865800624.db2.gz AOILSLMBUYGFJM-UHFFFAOYSA-N 0 0 411.167 4.160 20 5 HIBDRN Cc1nc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)sc1C ZINC000440595443 865829104 /nfs/dbraw/zinc/82/91/04/865829104.db2.gz DPWNFICPMQNXPV-CHWSQXEVSA-N 0 0 402.520 4.080 20 5 HIBDRN O=C(c1cc(-c2cccnc2)on1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440605631 865834071 /nfs/dbraw/zinc/83/40/71/865834071.db2.gz YCOQWINPBIJFIJ-UHFFFAOYSA-N 0 0 400.394 4.492 20 5 HIBDRN COc1ccc2c(c1)C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)CO2 ZINC000440616509 865840875 /nfs/dbraw/zinc/84/08/75/865840875.db2.gz SEBGGJDSWKWUCJ-LJQANCHMSA-N 0 0 418.449 4.388 20 5 HIBDRN O=C(c1cn2cc(Cl)cc(Cl)c2n1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000440619252 865842474 /nfs/dbraw/zinc/84/24/74/865842474.db2.gz BULKAABBTLTHRO-KRWDZBQOSA-N 0 0 423.281 4.437 20 5 HIBDRN CC(F)(F)c1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000440638665 865852528 /nfs/dbraw/zinc/85/25/28/865852528.db2.gz QMCRPWRRFASHHD-CYBMUJFWSA-N 0 0 409.414 4.011 20 5 HIBDRN Cc1c2cc(Cl)ccc2sc1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000440648789 865856037 /nfs/dbraw/zinc/85/60/37/865856037.db2.gz XSPUCKPGRBUQII-UHFFFAOYSA-N 0 0 411.892 4.031 20 5 HIBDRN COc1cc(C(=O)N(Cc2ncc[nH]2)c2cc(C)ccc2Cl)ccc1[N+](=O)[O-] ZINC000440892187 865986268 /nfs/dbraw/zinc/98/62/68/865986268.db2.gz SENOYGXAZNQJKG-UHFFFAOYSA-N 0 0 400.822 4.135 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000441005679 866078566 /nfs/dbraw/zinc/07/85/66/866078566.db2.gz AFHOYOQKQXKHPV-UHFFFAOYSA-N 0 0 417.487 4.131 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cn1C ZINC000441042248 866108837 /nfs/dbraw/zinc/10/88/37/866108837.db2.gz DUULUDQKLJNXSL-UHFFFAOYSA-N 0 0 411.439 4.123 20 5 HIBDRN COCc1nc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(-c2ccccc2)s1 ZINC000441071637 866161528 /nfs/dbraw/zinc/16/15/28/866161528.db2.gz IBMUCNZJSAVRKK-UHFFFAOYSA-N 0 0 409.467 4.063 20 5 HIBDRN CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441073767 866166194 /nfs/dbraw/zinc/16/61/94/866166194.db2.gz WHIHCPWBDYJAJD-AWEZNQCLSA-N 0 0 402.472 4.064 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC1CCCCC1 ZINC000441115251 866211311 /nfs/dbraw/zinc/21/13/11/866211311.db2.gz IELNQKBJUNGEKO-UHFFFAOYSA-N 0 0 411.458 4.440 20 5 HIBDRN O=C(NCc1nc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cs1)c1ccccc1 ZINC000441263042 866338169 /nfs/dbraw/zinc/33/81/69/866338169.db2.gz PCSDGOAOQILTQO-UHFFFAOYSA-N 0 0 422.510 4.146 20 5 HIBDRN CCCOc1cc(NC(=O)N2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])cc1OCCC ZINC000441327804 866400039 /nfs/dbraw/zinc/40/00/39/866400039.db2.gz HCCYZYUFLIAHCE-HUUCEWRRSA-N 0 0 409.483 4.204 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@@H](C)CO2)c1 ZINC000441442864 866520146 /nfs/dbraw/zinc/52/01/46/866520146.db2.gz AACLMRNYUNQCOZ-OXJNMPFZSA-N 0 0 408.458 4.224 20 5 HIBDRN CCCN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000441454966 866529740 /nfs/dbraw/zinc/52/97/40/866529740.db2.gz UUWLEOQTJSQATI-UHFFFAOYSA-N 0 0 408.458 4.396 20 5 HIBDRN CCCN(C(=O)CCC(=O)N1CCSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000441465412 866540028 /nfs/dbraw/zinc/54/00/28/866540028.db2.gz AISNBHOTGFRACI-UHFFFAOYSA-N 0 0 413.499 4.257 20 5 HIBDRN CCOc1ccccc1CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000441472096 866549363 /nfs/dbraw/zinc/54/93/63/866549363.db2.gz INEOWZSDGLXXND-INIZCTEOSA-N 0 0 423.469 4.086 20 5 HIBDRN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441575495 866659798 /nfs/dbraw/zinc/65/97/98/866659798.db2.gz NUNCBEWEFVIOFR-KZULUSFZSA-N 0 0 401.850 4.017 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cc(Cl)cc(F)c2F)cc1[N+](=O)[O-] ZINC000441591218 866680598 /nfs/dbraw/zinc/68/05/98/866680598.db2.gz PNXBLGVFAMZFPI-UHFFFAOYSA-N 0 0 402.806 4.407 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000468153693 882015945 /nfs/dbraw/zinc/01/59/45/882015945.db2.gz LDOXHNNLEXDEFC-HNNXBMFYSA-N 0 0 408.520 4.291 20 5 HIBDRN Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442301202 867313787 /nfs/dbraw/zinc/31/37/87/867313787.db2.gz UNKPPBAUPDSLEO-INIZCTEOSA-N 0 0 408.483 4.287 20 5 HIBDRN COC(=O)CC1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000442299032 867313823 /nfs/dbraw/zinc/31/38/23/867313823.db2.gz XQIUYZVHMBYPKB-UHFFFAOYSA-N 0 0 414.483 4.161 20 5 HIBDRN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000442525958 867500770 /nfs/dbraw/zinc/50/07/70/867500770.db2.gz LWFJBLZMHLVEAN-HNAYVOBHSA-N 0 0 415.877 4.263 20 5 HIBDRN C[C@@H](C(=O)N1CCOc2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1F ZINC000468209700 882091480 /nfs/dbraw/zinc/09/14/80/882091480.db2.gz CKWYWXHGQNMSIT-SNVBAGLBSA-N 0 0 409.211 4.026 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOc2ccc(Br)cc21 ZINC000468210868 882092385 /nfs/dbraw/zinc/09/23/85/882092385.db2.gz VKRPFQPKSSPKGT-UHFFFAOYSA-N 0 0 411.639 4.358 20 5 HIBDRN O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442577259 867539886 /nfs/dbraw/zinc/53/98/86/867539886.db2.gz ISMYTKVIOKGVLQ-UHFFFAOYSA-N 0 0 422.268 4.078 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)CC(C)=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000442590056 867549131 /nfs/dbraw/zinc/54/91/31/867549131.db2.gz BJLJMUIYWRFIIN-NSHDSACASA-N 0 0 406.822 4.147 20 5 HIBDRN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442635506 867577556 /nfs/dbraw/zinc/57/75/56/867577556.db2.gz FQTLHCNNHFXLOG-GHTZIAJQSA-N 0 0 406.463 4.134 20 5 HIBDRN O=C(NCc1ccc(OCCO)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442638070 867581748 /nfs/dbraw/zinc/58/17/48/867581748.db2.gz QWOATJBFVKYKEW-UHFFFAOYSA-N 0 0 424.478 4.047 20 5 HIBDRN CCc1cc(NCc2ncoc2-c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000442725306 867651327 /nfs/dbraw/zinc/65/13/27/867651327.db2.gz YSMBSHNKZFZPST-UHFFFAOYSA-N 0 0 401.426 4.303 20 5 HIBDRN CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442738466 867658160 /nfs/dbraw/zinc/65/81/60/867658160.db2.gz IPMVFFJDVBTEGS-INIZCTEOSA-N 0 0 414.405 4.131 20 5 HIBDRN COc1nc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2s1 ZINC000468221294 882107818 /nfs/dbraw/zinc/10/78/18/882107818.db2.gz MUQGJOJGMYIQRJ-UHFFFAOYSA-N 0 0 415.474 4.412 20 5 HIBDRN CN(CCC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000468221554 882108101 /nfs/dbraw/zinc/10/81/01/882108101.db2.gz RNALTBIVNYQJPU-UHFFFAOYSA-N 0 0 400.431 4.191 20 5 HIBDRN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442879745 867712114 /nfs/dbraw/zinc/71/21/14/867712114.db2.gz CAQXQQHJAAMXEU-YJBOKZPZSA-N 0 0 400.500 4.369 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000442929741 867747383 /nfs/dbraw/zinc/74/73/83/867747383.db2.gz GQCVSVQUQPHBTL-RTBURBONSA-N 0 0 404.850 4.112 20 5 HIBDRN O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000442932207 867749987 /nfs/dbraw/zinc/74/99/87/867749987.db2.gz BMJMBCQPUICYOC-NHCUHLMSSA-N 0 0 411.458 4.104 20 5 HIBDRN CC(C)c1ncc(CN(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cn1 ZINC000442982522 867777926 /nfs/dbraw/zinc/77/79/26/867777926.db2.gz XSLUWACCMHNTMN-UHFFFAOYSA-N 0 0 404.445 4.006 20 5 HIBDRN CN(Cc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)[C@@H]1CCSC1 ZINC000443208174 867876546 /nfs/dbraw/zinc/87/65/46/867876546.db2.gz NIEVAQMQRLEJAP-MRXNPFEDSA-N 0 0 412.471 4.374 20 5 HIBDRN CN(Cc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)[C@H]1CCSC1 ZINC000443208173 867876628 /nfs/dbraw/zinc/87/66/28/867876628.db2.gz NIEVAQMQRLEJAP-INIZCTEOSA-N 0 0 412.471 4.374 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1cc2ccccc2s1 ZINC000443390227 867949075 /nfs/dbraw/zinc/94/90/75/867949075.db2.gz TVSCHIVYBVMMIQ-GFCCVEGCSA-N 0 0 402.497 4.385 20 5 HIBDRN COc1ccc(-c2nc(C)c(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)s2)c(F)c1 ZINC000443468945 868057677 /nfs/dbraw/zinc/05/76/77/868057677.db2.gz VRDCVPJEXMFZQN-UHFFFAOYSA-N 0 0 401.419 4.451 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)n2)c1 ZINC000443641480 868224892 /nfs/dbraw/zinc/22/48/92/868224892.db2.gz PTVIFCASXZHSTH-CQSZACIVSA-N 0 0 423.404 4.305 20 5 HIBDRN O=C(Nc1ccnc2ccncc21)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000443640396 868225911 /nfs/dbraw/zinc/22/59/11/868225911.db2.gz MXRAMGPNNGASKC-UHFFFAOYSA-N 0 0 402.435 4.363 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000443684213 868289706 /nfs/dbraw/zinc/28/97/06/868289706.db2.gz KSVZGEPZGZTTOI-GOSISDBHSA-N 0 0 420.537 4.195 20 5 HIBDRN Cc1ccc(CN(Cc2ccco2)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000443702100 868296553 /nfs/dbraw/zinc/29/65/53/868296553.db2.gz ADVLVKDWRWAWGB-UHFFFAOYSA-N 0 0 406.485 4.090 20 5 HIBDRN CC(C)[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000443768093 868328549 /nfs/dbraw/zinc/32/85/49/868328549.db2.gz CBSHGRROORXJIU-KRWDZBQOSA-N 0 0 416.421 4.430 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c2ccccc2nc1-c1scnc1C ZINC000443804684 868340142 /nfs/dbraw/zinc/34/01/42/868340142.db2.gz SMHQPXUMIYLKFQ-UHFFFAOYSA-N 0 0 423.454 4.024 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000443835185 868366550 /nfs/dbraw/zinc/36/65/50/868366550.db2.gz FLCBYUFGNWWCEP-LBPRGKRZSA-N 0 0 423.391 4.089 20 5 HIBDRN CCOc1cc(NC(=O)[C@H]2SCCc3ccccc32)c([N+](=O)[O-])cc1OCC ZINC000443847284 868376892 /nfs/dbraw/zinc/37/68/92/868376892.db2.gz ZOWVWODXAOUCKL-IBGZPJMESA-N 0 0 402.472 4.361 20 5 HIBDRN COc1cc(C(=O)Nc2cc3c(cc2Br)CCC3)cc([N+](=O)[O-])c1C ZINC000443862409 868394940 /nfs/dbraw/zinc/39/49/40/868394940.db2.gz UVENQNOMCZUXEH-UHFFFAOYSA-N 0 0 405.248 4.415 20 5 HIBDRN CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000443868892 868400180 /nfs/dbraw/zinc/40/01/80/868400180.db2.gz NBYQPNAOLPIVLG-UHFFFAOYSA-N 0 0 418.169 4.438 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3c(F)cc(F)cc3F)cc2)c(C)c1[N+](=O)[O-] ZINC000443923326 868460805 /nfs/dbraw/zinc/46/08/05/868460805.db2.gz YRGIOYGXOMSTEU-UHFFFAOYSA-N 0 0 404.348 4.126 20 5 HIBDRN COc1ccc(C(C)(C)CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1OC ZINC000443944682 868480329 /nfs/dbraw/zinc/48/03/29/868480329.db2.gz IFNJPTZCKHKKQK-UHFFFAOYSA-N 0 0 401.463 4.328 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000443948873 868485515 /nfs/dbraw/zinc/48/55/15/868485515.db2.gz DTRNGNXUNUNVEX-UHFFFAOYSA-N 0 0 420.872 4.354 20 5 HIBDRN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000443956632 868492496 /nfs/dbraw/zinc/49/24/96/868492496.db2.gz JIYPFFHFBIWZTC-HNNXBMFYSA-N 0 0 418.881 4.274 20 5 HIBDRN CCOC(=O)C[C@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000443961445 868495346 /nfs/dbraw/zinc/49/53/46/868495346.db2.gz PSQAYNQZNKRHIS-INIZCTEOSA-N 0 0 403.410 4.167 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000443972906 868501797 /nfs/dbraw/zinc/50/17/97/868501797.db2.gz OKHAUOKQCIBEGC-AWEZNQCLSA-N 0 0 411.462 4.378 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000443974269 868502914 /nfs/dbraw/zinc/50/29/14/868502914.db2.gz UFPZCDIZXTYJLG-UHFFFAOYSA-N 0 0 419.441 4.181 20 5 HIBDRN COCCCN(CCc1ccc(OC)cc1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443975288 868503606 /nfs/dbraw/zinc/50/36/06/868503606.db2.gz YZHTUQWNFJBBTJ-UHFFFAOYSA-N 0 0 415.490 4.333 20 5 HIBDRN O=C(Nc1cc(F)cc(F)c1Br)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000468277165 882197496 /nfs/dbraw/zinc/19/74/96/882197496.db2.gz MIPGMZBODUITQA-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN CCCN(C[C@H]1CCCCO1)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 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869320137 /nfs/dbraw/zinc/32/01/37/869320137.db2.gz GQASICHGBGJBFK-AWEZNQCLSA-N 0 0 410.430 4.252 20 5 HIBDRN COc1cccc(NC(=O)Cc2noc(-c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)c1 ZINC000445283896 869333853 /nfs/dbraw/zinc/33/38/53/869333853.db2.gz WECROWZMXKZICU-UHFFFAOYSA-N 0 0 410.430 4.132 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(-c2cccc([N+](=O)[O-])c2C)n1 ZINC000445326349 869386077 /nfs/dbraw/zinc/38/60/77/869386077.db2.gz YGXRQPGYZBNBTR-UHFFFAOYSA-N 0 0 416.821 4.105 20 5 HIBDRN Cc1cc(C)c(NC(=O)Cc2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)c(C)c1 ZINC000445329265 869389351 /nfs/dbraw/zinc/38/93/51/869389351.db2.gz BONOXBZBGOGJAU-UHFFFAOYSA-N 0 0 405.414 4.233 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000445331315 869391627 /nfs/dbraw/zinc/39/16/27/869391627.db2.gz DURKFXXNLSVHMJ-UHFFFAOYSA-N 0 0 414.849 4.447 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000445333109 869394421 /nfs/dbraw/zinc/39/44/21/869394421.db2.gz MSCCNUKFSQODEZ-UHFFFAOYSA-N 0 0 411.805 4.269 20 5 HIBDRN O=C(Cc1noc(/C=C/c2ccccc2[N+](=O)[O-])n1)Nc1cccc2ccccc21 ZINC000445332886 869394975 /nfs/dbraw/zinc/39/49/75/869394975.db2.gz PPFPCYQLDGYYKE-OUKQBFOZSA-N 0 0 400.394 4.483 20 5 HIBDRN Cc1c(-c2nc(CC(=O)Nc3c(Cl)cccc3Cl)no2)cccc1[N+](=O)[O-] ZINC000445364071 869430054 /nfs/dbraw/zinc/43/00/54/869430054.db2.gz HGPWVIUKRVURSA-UHFFFAOYSA-N 0 0 407.213 4.441 20 5 HIBDRN O=C(Cc1noc(Cc2cccc([N+](=O)[O-])c2)n1)Nc1ccc(Cl)cc1Cl ZINC000445369078 869440056 /nfs/dbraw/zinc/44/00/56/869440056.db2.gz SFCGVAQDQHQMAJ-UHFFFAOYSA-N 0 0 407.213 4.057 20 5 HIBDRN O=C(Cc1noc(Cc2cccc([N+](=O)[O-])c2)n1)Nc1c(Cl)cccc1Cl ZINC000445374360 869450227 /nfs/dbraw/zinc/45/02/27/869450227.db2.gz GTEPEORUBIRRBG-UHFFFAOYSA-N 0 0 407.213 4.057 20 5 HIBDRN O=C(Cc1noc(CNc2ccccc2[N+](=O)[O-])n1)Nc1ccc(Cl)cc1Cl ZINC000445386805 869472600 /nfs/dbraw/zinc/47/26/00/869472600.db2.gz UZRYVGHMYGWDRM-UHFFFAOYSA-N 0 0 422.228 4.078 20 5 HIBDRN CCCS(=O)(=O)Cc1noc(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000445462865 869538413 /nfs/dbraw/zinc/53/84/13/869538413.db2.gz FWIWVBSKVPYLAY-UHFFFAOYSA-N 0 0 419.484 4.121 20 5 HIBDRN Cn1c(=O)[nH]c2ncc(-c3cccc(-c4nc(-c5ccc([N+](=O)[O-])s5)no4)c3)cc21 ZINC000445467378 869541837 /nfs/dbraw/zinc/54/18/37/869541837.db2.gz ATPHPFLFOZBNME-UHFFFAOYSA-N 0 0 420.410 4.028 20 5 HIBDRN O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000445468168 869543009 /nfs/dbraw/zinc/54/30/09/869543009.db2.gz DEQKKRXWEYPHKV-LLVKDONJSA-N 0 0 408.848 4.015 20 5 HIBDRN COc1cccc(-n2ccnc2SCc2nc(-c3ccc([N+](=O)[O-])s3)no2)c1 ZINC000445468260 869543112 /nfs/dbraw/zinc/54/31/12/869543112.db2.gz CXYWQLVGLRCINW-UHFFFAOYSA-N 0 0 415.456 4.193 20 5 HIBDRN Cc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc([N+](=O)[O-])s4)no3)C2)c1 ZINC000445470813 869544032 /nfs/dbraw/zinc/54/40/32/869544032.db2.gz YPBKGMXVXISJSF-CYBMUJFWSA-N 0 0 413.459 4.426 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc([C@@H]3COc4ccccc4O3)no2)c2ccccc12 ZINC000445475269 869547887 /nfs/dbraw/zinc/54/78/87/869547887.db2.gz XCVZKYAIAXNGEO-NRFANRHFSA-N 0 0 411.417 4.099 20 5 HIBDRN Cc1nc2c3ccccc3nn2c(C)c1CCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000445480887 869552946 /nfs/dbraw/zinc/55/29/46/869552946.db2.gz LPEXHLDNNMGHBX-UHFFFAOYSA-N 0 0 420.454 4.304 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ccc(OC(F)F)cn4)no3)cs2)cc1 ZINC000445509326 869573257 /nfs/dbraw/zinc/57/32/57/869573257.db2.gz RNUXJROPUYTQNP-UHFFFAOYSA-N 0 0 417.353 4.432 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)c(-n2ccc(-c3nc([C@H]4CCCOC4)no3)n2)c(Cl)c1 ZINC000445524808 869584386 /nfs/dbraw/zinc/58/43/86/869584386.db2.gz QERBEEAELMXZPU-VIFPVBQESA-N 0 0 410.217 4.031 20 5 HIBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc2ccccc2s1 ZINC000445530710 869587890 /nfs/dbraw/zinc/58/78/90/869587890.db2.gz GWMHWPDVUXMTLU-UHFFFAOYSA-N 0 0 406.261 4.173 20 5 HIBDRN C[C@H](Sc1ccnc2cc(Cl)ccc21)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000445574667 869635108 /nfs/dbraw/zinc/63/51/08/869635108.db2.gz 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Cc1nc([N+](=O)[O-])c(-c2noc(/C=C\c3ccc(OCc4ccccc4)cc3)n2)n1C ZINC000445621554 869686013 /nfs/dbraw/zinc/68/60/13/869686013.db2.gz VJCKNKLGFLXRJT-RAXLEYEMSA-N 0 0 417.425 4.436 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3csc(-c4ccccc4Cl)n3)n2)n1C ZINC000445624186 869689454 /nfs/dbraw/zinc/68/94/54/869689454.db2.gz PCBUDRYLCDYETL-UHFFFAOYSA-N 0 0 402.823 4.131 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000445632789 869699796 /nfs/dbraw/zinc/69/97/96/869699796.db2.gz SZQXPBMZVUQORZ-UHFFFAOYSA-N 0 0 423.391 4.022 20 5 HIBDRN Cc1cc(I)ccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000445634052 869701159 /nfs/dbraw/zinc/70/11/59/869701159.db2.gz YIDIVJDPUWBUII-UHFFFAOYSA-N 0 0 410.211 4.079 20 5 HIBDRN O=C(NCCCCOc1ccc(Cl)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445638979 869709582 /nfs/dbraw/zinc/70/95/82/869709582.db2.gz BQDQQJKFTAFRKQ-UHFFFAOYSA-N 0 0 403.866 4.175 20 5 HIBDRN CSc1nnc(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])s1 ZINC000445663517 869731597 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870074735 /nfs/dbraw/zinc/07/47/35/870074735.db2.gz HXMYGOCSSSXACN-OAHLLOKOSA-N 0 0 403.276 4.224 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000446133636 870079089 /nfs/dbraw/zinc/07/90/89/870079089.db2.gz ZXFIIDGJEZXISZ-UHFFFAOYSA-N 0 0 414.465 4.242 20 5 HIBDRN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000446191363 870124389 /nfs/dbraw/zinc/12/43/89/870124389.db2.gz IZWHHHJQJBZGLE-CQSZACIVSA-N 0 0 402.425 4.212 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000446203507 870136213 /nfs/dbraw/zinc/13/62/13/870136213.db2.gz YQQQBZFMXVQWTF-JQWIXIFHSA-N 0 0 423.229 4.385 20 5 HIBDRN COc1cccc(-c2cc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)n(C)n2)c1 ZINC000446230024 870167211 /nfs/dbraw/zinc/16/72/11/870167211.db2.gz WORUSRMARUTFGM-UHFFFAOYSA-N 0 0 424.460 4.343 20 5 HIBDRN CC(C)CC1(CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCCC1 ZINC000446295813 870222290 /nfs/dbraw/zinc/22/22/90/870222290.db2.gz 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Cc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000446483632 870395711 /nfs/dbraw/zinc/39/57/11/870395711.db2.gz DAYDTIZIQRRSLP-UHFFFAOYSA-N 0 0 412.368 4.296 20 5 HIBDRN COc1cccc(Oc2ncccc2CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000446487987 870400576 /nfs/dbraw/zinc/40/05/76/870400576.db2.gz HRWZTQVXAVLHTM-UHFFFAOYSA-N 0 0 408.414 4.421 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000446497820 870414991 /nfs/dbraw/zinc/41/49/91/870414991.db2.gz IOZNJMSYVJWWCZ-UHFFFAOYSA-N 0 0 419.363 4.429 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCOc3ccc(F)cc32)cc1[N+](=O)[O-])c1ccccn1 ZINC000446509581 870427032 /nfs/dbraw/zinc/42/70/32/870427032.db2.gz ABHDVIQTNOWJHG-CQSZACIVSA-N 0 0 422.416 4.341 20 5 HIBDRN CCC1(CC)CCN(C(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])C1 ZINC000446548310 870462290 /nfs/dbraw/zinc/46/22/90/870462290.db2.gz XKQVNVARRPNBDE-UHFFFAOYSA-N 0 0 419.503 4.291 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000446611264 870514158 /nfs/dbraw/zinc/51/41/58/870514158.db2.gz NZRYLHSYVOVDJN-ZNMIVQPWSA-N 0 0 400.431 4.034 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Cl)c(Br)c2)c([N+](=O)[O-])cc1OC ZINC000446621182 870523575 /nfs/dbraw/zinc/52/35/75/870523575.db2.gz VOLQWFMJWRJLJZ-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000446635738 870542225 /nfs/dbraw/zinc/54/22/25/870542225.db2.gz YAKUTQOKSYLOMP-IBGZPJMESA-N 0 0 413.474 4.004 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N(C)Cc3cc(C(C)(C)C)n[nH]3)cc2[N+](=O)[O-])C1 ZINC000446651478 870566416 /nfs/dbraw/zinc/56/64/16/870566416.db2.gz FBQVSIISEQDWDH-OAHLLOKOSA-N 0 0 413.522 4.124 20 5 HIBDRN COc1ccc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OCc1ccccc1 ZINC000446840217 870758213 /nfs/dbraw/zinc/75/82/13/870758213.db2.gz FCPOAYGDVPJQID-UHFFFAOYSA-N 0 0 418.453 4.349 20 5 HIBDRN CCOc1cc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OCC(F)(F)F ZINC000446843521 870762094 /nfs/dbraw/zinc/76/20/94/870762094.db2.gz 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CC[C@@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1c1ccccc1 ZINC000446914724 870831347 /nfs/dbraw/zinc/83/13/47/870831347.db2.gz PKKQILKTFCBWRH-CRAIPNDOSA-N 0 0 407.474 4.196 20 5 HIBDRN Cc1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1C ZINC000446953318 870859410 /nfs/dbraw/zinc/85/94/10/870859410.db2.gz ZEGSAOXQCYRHPR-UHFFFAOYSA-N 0 0 419.684 4.428 20 5 HIBDRN CCCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446969520 870869246 /nfs/dbraw/zinc/86/92/46/870869246.db2.gz MBIKPIVAAJNCSB-UHFFFAOYSA-N 0 0 402.394 4.215 20 5 HIBDRN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](c2ccco2)C1 ZINC000447015515 870893201 /nfs/dbraw/zinc/89/32/01/870893201.db2.gz XSXMUNOWYBBMOD-BXUZGUMPSA-N 0 0 418.393 4.369 20 5 HIBDRN C[C@H]1C[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447033273 870908979 /nfs/dbraw/zinc/90/89/79/870908979.db2.gz GDHTZCAYONYLMT-GXTWGEPZSA-N 0 0 414.405 4.180 20 5 HIBDRN 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ZINC000447671389 871601100 /nfs/dbraw/zinc/60/11/00/871601100.db2.gz PXHZUNWXUBTMHV-CQSZACIVSA-N 0 0 419.441 4.049 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000447672189 871603211 /nfs/dbraw/zinc/60/32/11/871603211.db2.gz SPWNQJNOZMRNSY-UHFFFAOYSA-N 0 0 414.531 4.259 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000447674152 871604682 /nfs/dbraw/zinc/60/46/82/871604682.db2.gz ZSBBIYSVYGSYEF-UHFFFAOYSA-N 0 0 407.655 4.381 20 5 HIBDRN CCNC(=O)c1cccc(Oc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC000447677615 871609807 /nfs/dbraw/zinc/60/98/07/871609807.db2.gz VMDCESGCTIRWOE-UHFFFAOYSA-N 0 0 405.279 4.186 20 5 HIBDRN CCCn1ccnc1CCCN(C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447679490 871611223 /nfs/dbraw/zinc/61/12/23/871611223.db2.gz KNKVWFZTXRRVHK-UHFFFAOYSA-N 0 0 421.370 4.319 20 5 HIBDRN CC(C)NC(=O)[C@@H]1CCC[C@@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447684520 871617145 /nfs/dbraw/zinc/61/71/45/871617145.db2.gz 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O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccc(-c2ccncc2)cc1 ZINC000447802187 871738172 /nfs/dbraw/zinc/73/81/72/871738172.db2.gz IEJCQOSFASGBSK-UHFFFAOYSA-N 0 0 404.470 4.101 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Oc1ccc(C(=O)N2CCCC2)cc1 ZINC000447809948 871742560 /nfs/dbraw/zinc/74/25/60/871742560.db2.gz DZUHKWPHIJGJMZ-UHFFFAOYSA-N 0 0 404.806 4.063 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccc(Oc2ccccc2)nc1 ZINC000447815789 871745485 /nfs/dbraw/zinc/74/54/85/871745485.db2.gz HNROCIZTUPBOKW-UHFFFAOYSA-N 0 0 420.469 4.226 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000447818863 871747336 /nfs/dbraw/zinc/74/73/36/871747336.db2.gz ZFPBOKUTRHYKCC-OFNKIYASSA-N 0 0 411.502 4.007 20 5 HIBDRN Cc1c(C(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000447867521 871791644 /nfs/dbraw/zinc/79/16/44/871791644.db2.gz XIXJLMNJUDWJJF-FQEVSTJZSA-N 0 0 411.437 4.092 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N(CCC(F)(F)F)CC(F)(F)F ZINC000468528299 882549148 /nfs/dbraw/zinc/54/91/48/882549148.db2.gz JZQJWMDSZLBCDM-UHFFFAOYSA-N 0 0 423.107 4.314 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000448053981 871883573 /nfs/dbraw/zinc/88/35/73/871883573.db2.gz LNLPUURXXIIQND-SFHVURJKSA-N 0 0 403.460 4.188 20 5 HIBDRN Cc1cc(C[C@@H](C)Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000448057074 871886569 /nfs/dbraw/zinc/88/65/69/871886569.db2.gz VHXVGTIXVXKLJD-MRXNPFEDSA-N 0 0 421.501 4.270 20 5 HIBDRN Cc1cc(C[C@@H](C)Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)n(-c2ccccc2)n1 ZINC000448058945 871887232 /nfs/dbraw/zinc/88/72/32/871887232.db2.gz UXOUUCSADUAONS-CQSZACIVSA-N 0 0 405.458 4.017 20 5 HIBDRN O=[N+]([O-])c1ccc(CSc2nnc(NCc3ccco3)s2)c(C(F)(F)F)c1 ZINC000448110505 871957291 /nfs/dbraw/zinc/95/72/91/871957291.db2.gz HQVKEYPIKQDAIC-UHFFFAOYSA-N 0 0 416.406 4.963 20 5 HIBDRN CO[C@H]1CCOc2c(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cccc21 ZINC000448110810 871957600 /nfs/dbraw/zinc/95/76/00/871957600.db2.gz UPDODCORYCLICS-DIFFPNOSSA-N 0 0 405.838 4.157 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Oc2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000448184826 872063203 /nfs/dbraw/zinc/06/32/03/872063203.db2.gz IYWAJVYAYJFOGW-APWZRJJASA-N 0 0 414.458 4.040 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 ZINC000448195681 872078712 /nfs/dbraw/zinc/07/87/12/872078712.db2.gz FDELXILZGPRELY-LLVKDONJSA-N 0 0 409.364 4.394 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000468549470 882592818 /nfs/dbraw/zinc/59/28/18/882592818.db2.gz UMNREYGLNFOGTI-MGPUTAFESA-N 0 0 412.490 4.050 20 5 HIBDRN COc1ccc(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1[N+](=O)[O-] ZINC000448325030 872259495 /nfs/dbraw/zinc/25/94/95/872259495.db2.gz LGGVKOCWTVACBI-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN O=C(C[C@@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000448440383 872384514 /nfs/dbraw/zinc/38/45/14/872384514.db2.gz RFACIJIMTPYFFP-SFHVURJKSA-N 0 0 411.433 4.186 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000448444268 872386784 /nfs/dbraw/zinc/38/67/84/872386784.db2.gz CNRPIHKTBPPESU-UHFFFAOYSA-N 0 0 401.325 4.078 20 5 HIBDRN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000448452706 872398490 /nfs/dbraw/zinc/39/84/90/872398490.db2.gz QLUVBATZUSOULX-PZJWPPBQSA-N 0 0 421.453 4.277 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)c([N+](=O)[O-])cc1OC ZINC000448457885 872410982 /nfs/dbraw/zinc/41/09/82/872410982.db2.gz CNCMAHOHSTWKGS-INIZCTEOSA-N 0 0 416.327 4.017 20 5 HIBDRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000448463175 872428375 /nfs/dbraw/zinc/42/83/75/872428375.db2.gz ZDZVLHRAEUARJV-UHFFFAOYSA-N 0 0 422.363 4.077 20 5 HIBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000468570383 882630839 /nfs/dbraw/zinc/63/08/39/882630839.db2.gz DHAPDVAPPLYSEZ-INIZCTEOSA-N 0 0 404.264 4.074 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460139522 872635988 /nfs/dbraw/zinc/63/59/88/872635988.db2.gz NMAGNSHIVDWPQN-QFIPXVFZSA-N 0 0 421.428 4.428 20 5 HIBDRN CC[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1cccc(Br)c1 ZINC000460148853 872667438 /nfs/dbraw/zinc/66/74/38/872667438.db2.gz MWDBNRIUWCCZDK-AWEZNQCLSA-N 0 0 405.292 4.285 20 5 HIBDRN CCn1c([C@H]2Cc3ccccc3O2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000460165590 872715294 /nfs/dbraw/zinc/71/52/94/872715294.db2.gz KCZWVXVGZMLLBE-HXUWFJFHSA-N 0 0 405.458 4.051 20 5 HIBDRN Cc1cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)CC(C)C ZINC000460179367 872739665 /nfs/dbraw/zinc/73/96/65/872739665.db2.gz YFPLWUKHHYSOSC-UHFFFAOYSA-N 0 0 421.457 4.326 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1c2ccccc2N(C)CC[C@H]1C ZINC000460224592 872810206 /nfs/dbraw/zinc/81/02/06/872810206.db2.gz CTPMAFLUYIEPOV-ZIAGYGMSSA-N 0 0 403.866 4.277 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000460237232 872825949 /nfs/dbraw/zinc/82/59/49/872825949.db2.gz VCJGWVBHPKQQCP-OAHLLOKOSA-N 0 0 409.412 4.432 20 5 HIBDRN Cc1c(CSC(C)C)cccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000460246857 872833468 /nfs/dbraw/zinc/83/34/68/872833468.db2.gz LCCSBBJRNJMUFX-UHFFFAOYSA-N 0 0 415.515 4.303 20 5 HIBDRN CCn1c(-c2cccc3cccnc32)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000460287641 872878630 /nfs/dbraw/zinc/87/86/30/872878630.db2.gz ICKGTOYKLBIELB-UHFFFAOYSA-N 0 0 402.458 4.100 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000460314024 872899241 /nfs/dbraw/zinc/89/92/41/872899241.db2.gz ICOMUJMRHQORTN-IBGZPJMESA-N 0 0 423.473 4.232 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000460317933 872907001 /nfs/dbraw/zinc/90/70/01/872907001.db2.gz PTYVICSYZNHHGN-GOSISDBHSA-N 0 0 423.473 4.232 20 5 HIBDRN Cc1cnc([C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C2CC2)s1 ZINC000460321498 872915930 /nfs/dbraw/zinc/91/59/30/872915930.db2.gz XGUQXHKQDPYBKU-NRFANRHFSA-N 0 0 403.507 4.187 20 5 HIBDRN CCOc1cc(C(=O)N2CCCN(C)c3ccc(Cl)cc32)c([N+](=O)[O-])cc1OC ZINC000460331236 872936756 /nfs/dbraw/zinc/93/67/56/872936756.db2.gz WSASVXXCEPGEMO-UHFFFAOYSA-N 0 0 419.865 4.142 20 5 HIBDRN COc1ccc(CCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000460346551 872965341 /nfs/dbraw/zinc/96/53/41/872965341.db2.gz KLEBYVPINXEEAW-IBGZPJMESA-N 0 0 406.891 4.464 20 5 HIBDRN O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460352407 872973859 /nfs/dbraw/zinc/97/38/59/872973859.db2.gz ZIINUGHFZPFECT-IFXJQAMLSA-N 0 0 404.875 4.074 20 5 HIBDRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000460357203 872982410 /nfs/dbraw/zinc/98/24/10/872982410.db2.gz RKEPPKMTDTVPIJ-MPKWNAGQSA-N 0 0 411.483 4.077 20 5 HIBDRN C[C@@H](Oc1cccc(Br)c1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000460368177 873002593 /nfs/dbraw/zinc/00/25/93/873002593.db2.gz XNXKSUNRSSLHMQ-CQSZACIVSA-N 0 0 421.291 4.264 20 5 HIBDRN Cc1csc(N(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)n1 ZINC000460375757 873013478 /nfs/dbraw/zinc/01/34/78/873013478.db2.gz QSEQDTLPJVHZBW-UHFFFAOYSA-N 0 0 414.409 4.376 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000460401795 873051626 /nfs/dbraw/zinc/05/16/26/873051626.db2.gz NNSGBBNCQQBOGU-SIFCLUCFSA-N 0 0 418.877 4.313 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Oc1cccc(Cl)c1 ZINC000460420367 873079517 /nfs/dbraw/zinc/07/95/17/873079517.db2.gz NOSMUTVNKHGEGN-JTQLQIEISA-N 0 0 413.655 4.208 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc([N+](=O)[O-])c1OC ZINC000460445487 873115676 /nfs/dbraw/zinc/11/56/76/873115676.db2.gz FCBNVTUYPPKWNH-UHFFFAOYSA-N 0 0 404.394 4.325 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000460454747 873132110 /nfs/dbraw/zinc/13/21/10/873132110.db2.gz MRXVOBLRDVEUIM-UHFFFAOYSA-N 0 0 424.423 4.484 20 5 HIBDRN COC(=O)c1ccccc1N(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000460462765 873145679 /nfs/dbraw/zinc/14/56/79/873145679.db2.gz WMHVYGQTKXURKM-CQSZACIVSA-N 0 0 414.483 4.448 20 5 HIBDRN CCOc1ccc(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000460509101 873196486 /nfs/dbraw/zinc/19/64/86/873196486.db2.gz GXQOANWGZSWUIA-HNNXBMFYSA-N 0 0 417.893 4.166 20 5 HIBDRN Cc1ccc(CC[C@@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000460512938 873199861 /nfs/dbraw/zinc/19/98/61/873199861.db2.gz BBRYDXMDBJZATI-GFCCVEGCSA-N 0 0 413.396 4.455 20 5 HIBDRN CSc1ccc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000460512626 873199905 /nfs/dbraw/zinc/19/99/05/873199905.db2.gz AEPQXVDQHPHTGI-CQSZACIVSA-N 0 0 419.934 4.489 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC000460522897 873214852 /nfs/dbraw/zinc/21/48/52/873214852.db2.gz FVNIVCDPJVUQDM-KRWDZBQOSA-N 0 0 418.877 4.082 20 5 HIBDRN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000460537363 873235169 /nfs/dbraw/zinc/23/51/69/873235169.db2.gz ZGERVUWZHNUUST-KRWDZBQOSA-N 0 0 400.475 4.404 20 5 HIBDRN CC(C)c1cnc(NC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)s1 ZINC000460567202 873298689 /nfs/dbraw/zinc/29/86/89/873298689.db2.gz VQBFGNGJWMDJGX-HNNXBMFYSA-N 0 0 424.910 4.221 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000460590628 873328853 /nfs/dbraw/zinc/32/88/53/873328853.db2.gz ZWYOMRPFSTVBSX-LJQANCHMSA-N 0 0 420.803 4.019 20 5 HIBDRN CCCO[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)CC1 ZINC000460598057 873340140 /nfs/dbraw/zinc/34/01/40/873340140.db2.gz OASDVPFZUKTAIN-LJQANCHMSA-N 0 0 401.511 4.295 20 5 HIBDRN Cc1ccc(-c2nc(-c3ccccc3I)no2)cc1[N+](=O)[O-] ZINC000460726359 873532886 /nfs/dbraw/zinc/53/28/86/873532886.db2.gz SCVDZKGPIVLBFA-UHFFFAOYSA-N 0 0 407.167 4.225 20 5 HIBDRN COc1ccccc1-c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CC(C)C ZINC000460743810 873573135 /nfs/dbraw/zinc/57/31/35/873573135.db2.gz XCKKMZNUZCRMCY-UHFFFAOYSA-N 0 0 407.474 4.081 20 5 HIBDRN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000460767729 873612893 /nfs/dbraw/zinc/61/28/93/873612893.db2.gz KEPCFUXGNUNRJS-WNKDZCFJSA-N 0 0 401.507 4.401 20 5 HIBDRN Cc1c(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)cccc1[N+](=O)[O-] ZINC000460814439 873694422 /nfs/dbraw/zinc/69/44/22/873694422.db2.gz RDKMDQBVDHXTNX-UHFFFAOYSA-N 0 0 402.760 4.411 20 5 HIBDRN CCCCc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C[C@H]1CCCO1 ZINC000460905917 873813753 /nfs/dbraw/zinc/81/37/53/873813753.db2.gz JPPQURLOJXOFKD-LJQANCHMSA-N 0 0 401.511 4.123 20 5 HIBDRN CC(C)(C)C1=CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO2)CC1 ZINC000460911677 873818649 /nfs/dbraw/zinc/81/86/49/873818649.db2.gz RUFCZCBABRXTNP-LJQANCHMSA-N 0 0 411.506 4.215 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)[C@H]1c1ccccc1 ZINC000460911606 873818896 /nfs/dbraw/zinc/81/88/96/873818896.db2.gz ROGXUTIIHXWGCF-MAODMQOUSA-N 0 0 419.485 4.230 20 5 HIBDRN CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000460916641 873822339 /nfs/dbraw/zinc/82/23/39/873822339.db2.gz XYAASVBFPXITID-TZIWHRDSSA-N 0 0 419.485 4.156 20 5 HIBDRN CC(C)N(Cc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000460935975 873836763 /nfs/dbraw/zinc/83/67/63/873836763.db2.gz SDMLCFMQSNGKQG-IBGZPJMESA-N 0 0 411.462 4.040 20 5 HIBDRN CC[C@]1(C)CCN(C(=O)c2cc(C(=O)N3CC[C@](C)(CC)C3)cc([N+](=O)[O-])c2)C1 ZINC000461029815 873893772 /nfs/dbraw/zinc/89/37/72/873893772.db2.gz VHRMKPSDQHWLBP-SZPZYZBQSA-N 0 0 401.507 4.119 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000461083940 873995283 /nfs/dbraw/zinc/99/52/83/873995283.db2.gz LRRBFCHHZPMOIP-UHFFFAOYSA-N 0 0 408.483 4.062 20 5 HIBDRN CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(C(=O)N2[C@H](CC)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000461099347 874015895 /nfs/dbraw/zinc/01/58/95/874015895.db2.gz DTFRGYOYLLPILB-ILRDRHFLSA-N 0 0 401.507 4.401 20 5 HIBDRN Cc1cccc(Cl)c1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000461125743 874055711 /nfs/dbraw/zinc/05/57/11/874055711.db2.gz LJCDCWJETJVOKQ-UHFFFAOYSA-N 0 0 419.684 4.428 20 5 HIBDRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000461162790 874123267 /nfs/dbraw/zinc/12/32/67/874123267.db2.gz PAZOTFOZSVCXFP-YOEHRIQHSA-N 0 0 413.503 4.291 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCn2cncc2C1 ZINC000461186381 874178345 /nfs/dbraw/zinc/17/83/45/874178345.db2.gz AQQQZZBVPPSISJ-UHFFFAOYSA-N 0 0 414.874 4.252 20 5 HIBDRN CO[C@@H]1CCOc2c(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cccc21 ZINC000468677592 882805731 /nfs/dbraw/zinc/80/57/31/882805731.db2.gz ZAACLTDTYFJGIF-OAHLLOKOSA-N 0 0 407.220 4.080 20 5 HIBDRN CO[C@H]1CCOc2c(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)cccc21 ZINC000468680411 882807438 /nfs/dbraw/zinc/80/74/38/882807438.db2.gz CZHBLEWNOWFLPU-INIZCTEOSA-N 0 0 421.247 4.388 20 5 HIBDRN CO[C@@H]1CCOc2c(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)cccc21 ZINC000468680412 882807585 /nfs/dbraw/zinc/80/75/85/882807585.db2.gz CZHBLEWNOWFLPU-MRXNPFEDSA-N 0 0 421.247 4.388 20 5 HIBDRN C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccc(-c2cccnc2)cc1 ZINC000468690623 882814484 /nfs/dbraw/zinc/81/44/84/882814484.db2.gz QAOJTSTYQCAHLK-INIZCTEOSA-N 0 0 418.453 4.191 20 5 HIBDRN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461305965 874313384 /nfs/dbraw/zinc/31/33/84/874313384.db2.gz JLYBEJYCJJFDKE-QGZVFWFLSA-N 0 0 422.510 4.459 20 5 HIBDRN O=C(Nc1cccc(N2CCC2=O)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000468698015 882819389 /nfs/dbraw/zinc/81/93/89/882819389.db2.gz CJFCUMCCKZQAQN-UHFFFAOYSA-N 0 0 403.394 4.376 20 5 HIBDRN C[C@H](c1cccs1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461367991 874370575 /nfs/dbraw/zinc/37/05/75/874370575.db2.gz VJFHNKNEVGCEFP-CABCVRRESA-N 0 0 413.503 4.149 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1OCc1ccccc1 ZINC000468703440 882821772 /nfs/dbraw/zinc/82/17/72/882821772.db2.gz VELPZXCWPMCRFE-UHFFFAOYSA-N 0 0 412.467 4.189 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1noc(COC(C)C)n1 ZINC000461375972 874380231 /nfs/dbraw/zinc/38/02/31/874380231.db2.gz HGVKJWUFQAHEDI-ZDUSSCGKSA-N 0 0 422.507 4.142 20 5 HIBDRN O=C(Nc1cccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1)C1CCCCC1 ZINC000461390458 874397286 /nfs/dbraw/zinc/39/72/86/874397286.db2.gz WSCMCEPHFXOUPC-UHFFFAOYSA-N 0 0 423.469 4.148 20 5 HIBDRN O=C(c1cccc(Br)c1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461396815 874404890 /nfs/dbraw/zinc/40/48/90/874404890.db2.gz QASUYANBOGFSNW-UHFFFAOYSA-N 0 0 411.639 4.046 20 5 HIBDRN Cc1cc(C)c(C(=O)CCCC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000461399367 874408871 /nfs/dbraw/zinc/40/88/71/874408871.db2.gz PWBUJAITSKORAX-UHFFFAOYSA-N 0 0 410.470 4.294 20 5 HIBDRN CC(C)(C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(Br)cc1 ZINC000461403683 874414282 /nfs/dbraw/zinc/41/42/82/874414282.db2.gz BROCMNBDUMBCHN-UHFFFAOYSA-N 0 0 419.275 4.056 20 5 HIBDRN COc1cccc(Cl)c1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000468731555 882832844 /nfs/dbraw/zinc/83/28/44/882832844.db2.gz CFUYHHGIHDQDKO-UHFFFAOYSA-N 0 0 417.771 4.118 20 5 HIBDRN CC[C@]1(c2ccc(NC/C(C)=C\c3cccc([N+](=O)[O-])c3)cc2)CCC(=O)NC1=O ZINC000468740865 882837549 /nfs/dbraw/zinc/83/75/49/882837549.db2.gz UFNYUMNVTKGVTM-AONZOJHOSA-N 0 0 407.470 4.195 20 5 HIBDRN Cc1ccc(O)c(NC(=O)c2cc(C(=O)Nc3cc(C)ccc3O)cc([N+](=O)[O-])c2)c1 ZINC000461455622 874515775 /nfs/dbraw/zinc/51/57/75/874515775.db2.gz LWVOJYLKQTYOKT-UHFFFAOYSA-N 0 0 421.409 4.127 20 5 HIBDRN Cc1cccnc1C(C)(C)CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000461465159 874522831 /nfs/dbraw/zinc/52/28/31/874522831.db2.gz NJRILWYJKULIQG-UHFFFAOYSA-N 0 0 421.447 4.371 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(c1nnc(-c2ccc[nH]2)n1Cc1cccs1)C1CC1 ZINC000461474286 874529287 /nfs/dbraw/zinc/52/92/87/874529287.db2.gz LONDYDOYBXPBKF-UHFFFAOYSA-N 0 0 420.498 4.460 20 5 HIBDRN CSC[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1 ZINC000461485641 874548149 /nfs/dbraw/zinc/54/81/49/874548149.db2.gz JFTBEODZBPMMEM-MRXNPFEDSA-N 0 0 415.544 4.295 20 5 HIBDRN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1)[C@@H]1CCc2ccccc21 ZINC000461519218 874600688 /nfs/dbraw/zinc/60/06/88/874600688.db2.gz DQGVRYCOWAHNNT-IIBYNOLFSA-N 0 0 419.485 4.014 20 5 HIBDRN CCN(Cc1ccccc1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 ZINC000461558723 874650772 /nfs/dbraw/zinc/65/07/72/874650772.db2.gz JCURPGOQALVQBS-GOSISDBHSA-N 0 0 421.501 4.225 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)cc1[N+](=O)[O-] ZINC000461571127 874670532 /nfs/dbraw/zinc/67/05/32/874670532.db2.gz DTQUHRJSMKSZIA-INIZCTEOSA-N 0 0 408.458 4.287 20 5 HIBDRN Cc1ccc([C@@H](C)N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)cc1 ZINC000461571760 874672174 /nfs/dbraw/zinc/67/21/74/874672174.db2.gz FNDOBSZRNZACNN-MSOLQXFVSA-N 0 0 421.501 4.396 20 5 HIBDRN CC(C)CC[C@@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 ZINC000461574722 874678110 /nfs/dbraw/zinc/67/81/10/874678110.db2.gz ZVEZLCVBGSMQKL-MJGOQNOKSA-N 0 0 413.522 4.295 20 5 HIBDRN CC(C)CC[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 ZINC000461578614 874684615 /nfs/dbraw/zinc/68/46/15/874684615.db2.gz CLBAQLMCMMPGFE-IEBWSBKVSA-N 0 0 413.522 4.295 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@H]3c3ccccc3)n2C[C@@H]2CCOC2)cc1 ZINC000461639002 874796229 /nfs/dbraw/zinc/79/62/29/874796229.db2.gz CBLNBPVAWJSVIO-UWJYYQICSA-N 0 0 419.485 4.231 20 5 HIBDRN O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000468799060 882864808 /nfs/dbraw/zinc/86/48/08/882864808.db2.gz CNGKPDKENCGECI-UHFFFAOYSA-N 0 0 422.359 4.070 20 5 HIBDRN CCCN(CC)c1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cn1 ZINC000461708199 874857010 /nfs/dbraw/zinc/85/70/10/874857010.db2.gz WRLVBWVAHZPNKY-FQEVSTJZSA-N 0 0 400.504 4.114 20 5 HIBDRN COc1cc(OCC(=O)N(CCc2ccc(C)cc2)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000461739243 874884315 /nfs/dbraw/zinc/88/43/15/874884315.db2.gz DCIZHTWTHVDJHQ-UHFFFAOYSA-N 0 0 424.453 4.155 20 5 HIBDRN COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000461755876 874893039 /nfs/dbraw/zinc/89/30/39/874893039.db2.gz MZVRBHJYFFXYQA-KDOFPFPSSA-N 0 0 416.861 4.030 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@@H](C)CC3(C)C)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000461759994 874895460 /nfs/dbraw/zinc/89/54/60/874895460.db2.gz NKWYSVZGNFCQRU-GJZGRUSLSA-N 0 0 401.507 4.116 20 5 HIBDRN Cc1cc(NCc2ccccc2NS(=O)(=O)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461766824 874898997 /nfs/dbraw/zinc/89/89/97/874898997.db2.gz JJDPLVPMQKPTCT-UHFFFAOYSA-N 0 0 415.446 4.455 20 5 HIBDRN Cc1cc(NCCCS(=O)(=O)Cc2ccccc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461785314 874904957 /nfs/dbraw/zinc/90/49/57/874904957.db2.gz MMRNOPGFYHVZPW-UHFFFAOYSA-N 0 0 416.421 4.339 20 5 HIBDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000468843496 882886089 /nfs/dbraw/zinc/88/60/89/882886089.db2.gz DWYZMMZMXTWFGE-UHFFFAOYSA-N 0 0 412.396 4.172 20 5 HIBDRN C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cccc21 ZINC000468853965 882891027 /nfs/dbraw/zinc/89/10/27/882891027.db2.gz DYSITMPHNZHWTO-GOSISDBHSA-N 0 0 424.482 4.356 20 5 HIBDRN Cc1cc(NCc2ccnc(OC3CCOCC3)c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461939943 875073077 /nfs/dbraw/zinc/07/30/77/875073077.db2.gz ZFAPJDBNNRSXCG-UHFFFAOYSA-N 0 0 411.380 4.487 20 5 HIBDRN Cc1cc(N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461946073 875078675 /nfs/dbraw/zinc/07/86/75/875078675.db2.gz MBPAUDNMOWRATJ-OAHLLOKOSA-N 0 0 415.469 4.278 20 5 HIBDRN COc1ccc2c(c1)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)C2 ZINC000468858422 882893102 /nfs/dbraw/zinc/89/31/02/882893102.db2.gz FQLDHLOEDPEHQX-HSZRJFAPSA-N 0 0 417.465 4.342 20 5 HIBDRN Cc1cc(NCc2cc(S(C)(=O)=O)ccc2F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461953365 875084398 /nfs/dbraw/zinc/08/43/98/875084398.db2.gz BFUYQBBKKYJPKK-UHFFFAOYSA-N 0 0 406.357 4.077 20 5 HIBDRN COc1ccccc1-c1noc(C2CCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)n1 ZINC000461964991 875090489 /nfs/dbraw/zinc/09/04/89/875090489.db2.gz LKVANFAKMDFGKJ-UHFFFAOYSA-N 0 0 412.421 4.485 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)cc1[N+](=O)[O-] ZINC000462055899 875169075 /nfs/dbraw/zinc/16/90/75/875169075.db2.gz FPPLAKXEJPBMCP-GOSISDBHSA-N 0 0 424.284 4.222 20 5 HIBDRN CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462072857 875183198 /nfs/dbraw/zinc/18/31/98/875183198.db2.gz GTPQELCUWRWFJY-ZDUSSCGKSA-N 0 0 420.849 4.358 20 5 HIBDRN CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462137220 875235996 /nfs/dbraw/zinc/23/59/96/875235996.db2.gz HUDVADODMMQRLL-JTQLQIEISA-N 0 0 404.275 4.068 20 5 HIBDRN Cc1cc(Cl)c2ccccc2c1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000462213525 875321653 /nfs/dbraw/zinc/32/16/53/875321653.db2.gz WWFIMRKTJIWOAW-UHFFFAOYSA-N 0 0 411.801 4.256 20 5 HIBDRN Cc1c(CNc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)cccc1[N+](=O)[O-] ZINC000462238529 875352038 /nfs/dbraw/zinc/35/20/38/875352038.db2.gz BVZHUNOAUWVRAL-UHFFFAOYSA-N 0 0 414.469 4.412 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000462244317 875361996 /nfs/dbraw/zinc/36/19/96/875361996.db2.gz FJDIANVWFYDXRU-GUYCJALGSA-N 0 0 407.373 4.238 20 5 HIBDRN C[C@H]1Cc2ccccc2N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462272259 875400181 /nfs/dbraw/zinc/40/01/81/875400181.db2.gz CDQMVFXKHOULGD-JTQLQIEISA-N 0 0 401.271 4.289 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000462280741 875407686 /nfs/dbraw/zinc/40/76/86/875407686.db2.gz QQPSJYGZGDUKNR-NSHDSACASA-N 0 0 419.261 4.219 20 5 HIBDRN Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000462283224 875408742 /nfs/dbraw/zinc/40/87/42/875408742.db2.gz ZMUKMVSHIIBBHL-MRVPVSSYSA-N 0 0 424.331 4.357 20 5 HIBDRN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000468888182 882931446 /nfs/dbraw/zinc/93/14/46/882931446.db2.gz JBMODSRHZKMJJQ-GFCCVEGCSA-N 0 0 408.451 4.099 20 5 HIBDRN COc1c(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] ZINC000462373450 875486391 /nfs/dbraw/zinc/48/63/91/875486391.db2.gz WYCVPPPKVONYAW-MQMHXKEQSA-N 0 0 405.248 4.042 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000462386644 875498089 /nfs/dbraw/zinc/49/80/89/875498089.db2.gz BSFJFQGKCPLKAC-ZDUSSCGKSA-N 0 0 424.284 4.225 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2nnc(-c3ccncc3)o2)ccc1Oc1ccc(F)cc1 ZINC000462396146 875506027 /nfs/dbraw/zinc/50/60/27/875506027.db2.gz ODCAIPBBAUTNDJ-UHFFFAOYSA-N 0 0 407.361 4.583 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Sc1nncn1C ZINC000462413144 875520666 /nfs/dbraw/zinc/52/06/66/875520666.db2.gz BBSTVUGPIYWCEY-HNNXBMFYSA-N 0 0 411.487 4.082 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cc(OC)c(OC)cc1C ZINC000462418353 875525148 /nfs/dbraw/zinc/52/51/48/875525148.db2.gz PBVCKXNATQFRRL-KRWDZBQOSA-N 0 0 400.475 4.148 20 5 HIBDRN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000462420346 875527434 /nfs/dbraw/zinc/52/74/34/875527434.db2.gz VEYCQGMROCVUIF-BFUOFWGJSA-N 0 0 424.906 4.016 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCc2cc(F)cc(F)c21 ZINC000462424277 875531448 /nfs/dbraw/zinc/53/14/48/875531448.db2.gz AYTCHCUMXVWLOH-UHFFFAOYSA-N 0 0 423.224 4.321 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000462432289 875538661 /nfs/dbraw/zinc/53/86/61/875538661.db2.gz MCVRPMDDTSOJQZ-QGZVFWFLSA-N 0 0 406.486 4.446 20 5 HIBDRN Cc1cccc(C)c1NC(=O)CN(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462437142 875541925 /nfs/dbraw/zinc/54/19/25/875541925.db2.gz NKIFIXVWVRZEFI-UHFFFAOYSA-N 0 0 420.469 4.261 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000462440641 875547814 /nfs/dbraw/zinc/54/78/14/875547814.db2.gz SRCNHEBYOFVMSA-NVXWUHKLSA-N 0 0 409.486 4.389 20 5 HIBDRN 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0 403.154 4.306 20 5 HIBDRN CN(CCOc1cccc(Cl)c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463358051 876411463 /nfs/dbraw/zinc/41/14/63/876411463.db2.gz CSBACAIZHCDEHW-UHFFFAOYSA-N 0 0 402.756 4.418 20 5 HIBDRN CN(CC(=O)NCc1ccccc1COCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000463391488 876447077 /nfs/dbraw/zinc/44/70/77/876447077.db2.gz MQQBVKKIMAHGSI-UHFFFAOYSA-N 0 0 419.481 4.064 20 5 HIBDRN CCn1c(SCc2cc(OC)c(F)cc2[N+](=O)[O-])nnc1-c1ccccc1OC ZINC000463414893 876468227 /nfs/dbraw/zinc/46/82/27/876468227.db2.gz JVWKRDIYLNQVIR-UHFFFAOYSA-N 0 0 418.450 4.322 20 5 HIBDRN CN(CC(=O)N1CCc2sccc2[C@@H]1c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000463427646 876482571 /nfs/dbraw/zinc/48/25/71/876482571.db2.gz CENGKRWLAVMLOT-HXUWFJFHSA-N 0 0 413.524 4.328 20 5 HIBDRN COc1cc(CSc2nc3ccccc3c(=O)n2C2CC2)c([N+](=O)[O-])cc1F ZINC000463438647 876495159 /nfs/dbraw/zinc/49/51/59/876495159.db2.gz ZHJFOBMALLSAOD-UHFFFAOYSA-N 0 0 401.419 4.080 20 5 HIBDRN CN(CC(=O)Nc1ccnn1Cc1cccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000463538898 876619392 /nfs/dbraw/zinc/61/93/92/876619392.db2.gz CIOLBABYIAPVOA-UHFFFAOYSA-N 0 0 415.453 4.068 20 5 HIBDRN O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000463548650 876632573 /nfs/dbraw/zinc/63/25/73/876632573.db2.gz VOGSHTIUMZDRJU-UHFFFAOYSA-N 0 0 403.753 4.485 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(F)c(Br)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463552472 876637791 /nfs/dbraw/zinc/63/77/91/876637791.db2.gz TXXYPJBEOFKENJ-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000463554343 876639421 /nfs/dbraw/zinc/63/94/21/876639421.db2.gz XYNVYGIXAQLHSH-CCKFTAQKSA-N 0 0 400.479 4.401 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cn2cnc3ccccc32)cc1)c1ccccc1[N+](=O)[O-] ZINC000463572454 876667037 /nfs/dbraw/zinc/66/70/37/876667037.db2.gz YYJPUDFASINLIL-UHFFFAOYSA-N 0 0 415.453 4.068 20 5 HIBDRN O=C(COc1c(F)cccc1[N+](=O)[O-])N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000463572161 876667807 /nfs/dbraw/zinc/66/78/07/876667807.db2.gz UCZOAAZNCVHIOE-SFHVURJKSA-N 0 0 404.394 4.219 20 5 HIBDRN CC[C@@H](C)N(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C(N)=O)cc1 ZINC000463601583 876719180 /nfs/dbraw/zinc/71/91/80/876719180.db2.gz BFIDHSDKVQKXJM-CYBMUJFWSA-N 0 0 424.482 4.263 20 5 HIBDRN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463615227 876734742 /nfs/dbraw/zinc/73/47/42/876734742.db2.gz VLQVLUZUMIVASS-UHFFFAOYSA-N 0 0 423.322 4.380 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1c(Cl)cccc1I ZINC000463646007 876765194 /nfs/dbraw/zinc/76/51/94/876765194.db2.gz XGECMLYPFGERJA-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN C[C@@H](O)C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000468996419 883062573 /nfs/dbraw/zinc/06/25/73/883062573.db2.gz NDHHRWRYCOVUCW-RHSMWYFYSA-N 0 0 411.483 4.003 20 5 HIBDRN CC(C)N(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463680287 876802576 /nfs/dbraw/zinc/80/25/76/876802576.db2.gz AGJPLOGPCPCDBI-UHFFFAOYSA-N 0 0 419.890 4.396 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c2ncccc12 ZINC000463695636 876815404 /nfs/dbraw/zinc/81/54/04/876815404.db2.gz JVOUSYCOVJKKAD-MRXNPFEDSA-N 0 0 417.874 4.322 20 5 HIBDRN O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000463706741 876826808 /nfs/dbraw/zinc/82/68/08/876826808.db2.gz NLUOUPYKWGPGLB-UHFFFAOYSA-N 0 0 424.436 4.287 20 5 HIBDRN Cn1cc(Nc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cn1 ZINC000469011009 883077513 /nfs/dbraw/zinc/07/75/13/883077513.db2.gz ONJDNMRFDBUAIZ-UHFFFAOYSA-N 0 0 405.336 4.343 20 5 HIBDRN C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Oc1ccccc1F ZINC000463936542 877056159 /nfs/dbraw/zinc/05/61/59/877056159.db2.gz UECKDRIUEKTEFM-GFCCVEGCSA-N 0 0 401.419 4.055 20 5 HIBDRN CCOC(=O)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccc(F)cc1 ZINC000463951411 877073287 /nfs/dbraw/zinc/07/32/87/877073287.db2.gz ADOPXQSJNYAPSZ-QGZVFWFLSA-N 0 0 403.410 4.167 20 5 HIBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1c(F)cc(C(F)(F)F)cc1F ZINC000463956559 877079619 /nfs/dbraw/zinc/07/96/19/877079619.db2.gz XSBXKDPPIHZJKC-UHFFFAOYSA-N 0 0 412.274 4.330 20 5 HIBDRN CCc1nc2ccc(Cl)cn2c1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000463958423 877081248 /nfs/dbraw/zinc/08/12/48/877081248.db2.gz KZBGYMHSTAOHQD-LJQANCHMSA-N 0 0 416.890 4.346 20 5 HIBDRN COc1ccc(C(C)(C)CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1OC ZINC000463959777 877083168 /nfs/dbraw/zinc/08/31/68/877083168.db2.gz VVCDRTVJOCACDO-UHFFFAOYSA-N 0 0 401.463 4.328 20 5 HIBDRN CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000463960752 877085137 /nfs/dbraw/zinc/08/51/37/877085137.db2.gz ZOAKAAMVVZYZEC-RXVVDRJESA-N 0 0 422.489 4.301 20 5 HIBDRN CCOCCOCc1cccc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000463962915 877087636 /nfs/dbraw/zinc/08/76/36/877087636.db2.gz XINCQXNQTDCTMX-UHFFFAOYSA-N 0 0 401.463 4.086 20 5 HIBDRN CCOC(=O)c1sc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)nc1C 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/nfs/dbraw/zinc/18/94/29/877189429.db2.gz YUAJVARNJTXEQM-AWEZNQCLSA-N 0 0 401.488 4.140 20 5 HIBDRN COc1cc(CSCc2nc(Cc3ccccc3C)no2)c([N+](=O)[O-])cc1F ZINC000464074141 877224634 /nfs/dbraw/zinc/22/46/34/877224634.db2.gz OCVMXPBLTDOCQM-UHFFFAOYSA-N 0 0 403.435 4.458 20 5 HIBDRN COc1ccc(-c2nc(CSCc3cc(OC)c(F)cc3[N+](=O)[O-])no2)cc1 ZINC000464096596 877253237 /nfs/dbraw/zinc/25/32/37/877253237.db2.gz OBIAQICNJXLCPO-UHFFFAOYSA-N 0 0 405.407 4.235 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000464144469 877310348 /nfs/dbraw/zinc/31/03/48/877310348.db2.gz DRUPXMRYSFZVQT-UHFFFAOYSA-N 0 0 421.173 4.304 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H](CO)c2ccc(Br)cc2)o1 ZINC000503241492 912220622 /nfs/dbraw/zinc/22/06/22/912220622.db2.gz AZDBKGAVUNBVLJ-QGZVFWFLSA-N 0 0 417.259 4.441 20 5 HIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464165481 877331550 /nfs/dbraw/zinc/33/15/50/877331550.db2.gz ATHRFWPMKBEOBM-UONOGXRCSA-N 0 0 406.866 4.114 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N(CCCOc1ccccc1)C1CCOCC1 ZINC000464184319 877355187 /nfs/dbraw/zinc/35/51/87/877355187.db2.gz SPJDIJDERUSMFC-UHFFFAOYSA-N 0 0 418.877 4.339 20 5 HIBDRN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000464201952 877372325 /nfs/dbraw/zinc/37/23/25/877372325.db2.gz VZZLGDIZSVGWKC-IAQYHMDHSA-N 0 0 416.259 4.240 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(OC(C)C)c(OC)c2)c([N+](=O)[O-])cc1OC ZINC000464253656 877432410 /nfs/dbraw/zinc/43/24/10/877432410.db2.gz MDZHMXVGSPVVFI-UHFFFAOYSA-N 0 0 404.419 4.050 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000464352434 877545845 /nfs/dbraw/zinc/54/58/45/877545845.db2.gz CRXCBBAAPLYRNQ-MRXNPFEDSA-N 0 0 408.483 4.035 20 5 HIBDRN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464421025 877630432 /nfs/dbraw/zinc/63/04/32/877630432.db2.gz OVQPLVXGUMVAPU-RKVPGOIHSA-N 0 0 411.483 4.098 20 5 HIBDRN Cc1nccc(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 ZINC000464440202 877653243 /nfs/dbraw/zinc/65/32/43/877653243.db2.gz GUAMVTLJURJIQU-UHFFFAOYSA-N 0 0 414.874 4.428 20 5 HIBDRN Cn1c2cccc(Cl)c2nc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000464455208 877674554 /nfs/dbraw/zinc/67/45/54/877674554.db2.gz KWXZWXXXFYVJDT-UHFFFAOYSA-N 0 0 423.654 4.079 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3nccc(-c4ccco4)n3)cc2[N+](=O)[O-])C1 ZINC000464455127 877674620 /nfs/dbraw/zinc/67/46/20/877674620.db2.gz BKXSVCOKWLEJNU-AWEZNQCLSA-N 0 0 407.430 4.133 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000464462537 877684462 /nfs/dbraw/zinc/68/44/62/877684462.db2.gz SINSEQPPRVGVKZ-MRXNPFEDSA-N 0 0 416.525 4.292 20 5 HIBDRN COc1ccc(CNc2cc(C)n(CCCOc3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000503281787 912263239 /nfs/dbraw/zinc/26/32/39/912263239.db2.gz HTTARDBGHVJSON-UHFFFAOYSA-N 0 0 414.437 4.329 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccs2)nn1C ZINC000464529609 877744982 /nfs/dbraw/zinc/74/49/82/877744982.db2.gz 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ZINC000467001682 880810147 /nfs/dbraw/zinc/81/01/47/880810147.db2.gz KAWZNVPOVGXWIX-HNNXBMFYSA-N 0 0 413.655 4.015 20 5 HIBDRN O=C(c1cc(NCc2c(F)cccc2OC(F)F)ccc1[N+](=O)[O-])N1CCCC1 ZINC000467017864 880820139 /nfs/dbraw/zinc/82/01/39/880820139.db2.gz ZTTDVOMUNKMUGG-UHFFFAOYSA-N 0 0 409.364 4.183 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(Br)c(F)cc1F ZINC000467020764 880821844 /nfs/dbraw/zinc/82/18/44/880821844.db2.gz HGFZPYQPDCVUKC-UHFFFAOYSA-N 0 0 403.204 4.366 20 5 HIBDRN COCc1ccc([C@H]2CCCN2Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])o1 ZINC000467037658 880835436 /nfs/dbraw/zinc/83/54/36/880835436.db2.gz XSOACGWFHVVETF-CQSZACIVSA-N 0 0 412.389 4.281 20 5 HIBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000467092120 880857333 /nfs/dbraw/zinc/85/73/33/880857333.db2.gz BXAMBNBGKPKHIZ-INIZCTEOSA-N 0 0 417.195 4.394 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1C(=O)N1CCCCC1 ZINC000467102858 880864373 /nfs/dbraw/zinc/86/43/73/880864373.db2.gz 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COc1cc(C(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000469437968 883627762 /nfs/dbraw/zinc/62/77/62/883627762.db2.gz FMSOUMKQFINIDJ-LBPRGKRZSA-N 0 0 418.421 4.031 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC(Cc4ccc(F)c(F)c4)CC3)o2)cc1 ZINC000469448276 883648381 /nfs/dbraw/zinc/64/83/81/883648381.db2.gz MXJWAJZBXMTMGL-UHFFFAOYSA-N 0 0 414.412 4.378 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469459955 883670166 /nfs/dbraw/zinc/67/01/66/883670166.db2.gz ZXIVGTSCKBRIPM-JSGCOSHPSA-N 0 0 400.385 4.474 20 5 HIBDRN CO[C@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000469876408 884066458 /nfs/dbraw/zinc/06/64/58/884066458.db2.gz UKQALVMXSKBBML-XOBRGWDASA-N 0 0 417.893 4.357 20 5 HIBDRN C[C@H](CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Cc1cccc(F)c1 ZINC000470003033 884219361 /nfs/dbraw/zinc/21/93/61/884219361.db2.gz NQYBLJKWEIHKPB-INIZCTEOSA-N 0 0 400.450 4.373 20 5 HIBDRN COc1ccc(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000470097313 884356483 /nfs/dbraw/zinc/35/64/83/884356483.db2.gz MVDSJHZWGZYXAW-ZDUSSCGKSA-N 0 0 411.241 4.204 20 5 HIBDRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000470101094 884358673 /nfs/dbraw/zinc/35/86/73/884358673.db2.gz GJQJJWYUGKEIOR-GOSISDBHSA-N 0 0 402.416 4.344 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@H](c3ccc(C)cc3C)C2)c(C)c([N+](=O)[O-])c1 ZINC000470112200 884372962 /nfs/dbraw/zinc/37/29/62/884372962.db2.gz CQCZGBQLFQQXEP-INIZCTEOSA-N 0 0 411.458 4.328 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@H](C(F)(F)F)C3(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000470116047 884376486 /nfs/dbraw/zinc/37/64/86/884376486.db2.gz RYRVZUFKMDXOLI-INIZCTEOSA-N 0 0 424.423 4.259 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000470134283 884398086 /nfs/dbraw/zinc/39/80/86/884398086.db2.gz CSAFCDJRYOPPKU-NSHDSACASA-N 0 0 402.357 4.426 20 5 HIBDRN CN(Cc1ccc(F)cc1Br)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470145394 884412004 /nfs/dbraw/zinc/41/20/04/884412004.db2.gz UKXKDWLOVWRJTG-UHFFFAOYSA-N 0 0 400.179 4.299 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(Oc2ccccc2)nc1 ZINC000503780478 912822383 /nfs/dbraw/zinc/82/23/83/912822383.db2.gz YNIOXOMZDUFCKW-UHFFFAOYSA-N 0 0 406.442 4.291 20 5 HIBDRN CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000470149890 884418387 /nfs/dbraw/zinc/41/83/87/884418387.db2.gz UZLAMYQFCXUYAA-HNNXBMFYSA-N 0 0 424.226 4.484 20 5 HIBDRN O=C(NCc1cccc(NC(=O)C2CCCC2)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470153376 884423439 /nfs/dbraw/zinc/42/34/39/884423439.db2.gz SMQHHGKLSVQDAF-UHFFFAOYSA-N 0 0 400.410 4.184 20 5 HIBDRN CC[C@@H](Cc1ccccc1Br)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000470156836 884430151 /nfs/dbraw/zinc/43/01/51/884430151.db2.gz SMHVBAPAKZNHCG-ZDUSSCGKSA-N 0 0 407.264 4.117 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000470177825 884461215 /nfs/dbraw/zinc/46/12/15/884461215.db2.gz UOYZYOZSJGWYJD-SAPNQHFASA-N 0 0 413.905 4.500 20 5 HIBDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000470191109 884490810 /nfs/dbraw/zinc/49/08/10/884490810.db2.gz SRPDUHIVQJDLNK-ZDUSSCGKSA-N 0 0 400.385 4.168 20 5 HIBDRN COc1cc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000503825608 912832916 /nfs/dbraw/zinc/83/29/16/912832916.db2.gz HITYYDVQFAKMJJ-GOSISDBHSA-N 0 0 411.845 4.366 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000470243063 884573237 /nfs/dbraw/zinc/57/32/37/884573237.db2.gz WEINJRDBNUABNX-ZDUSSCGKSA-N 0 0 411.241 4.204 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CC(C)C)c1ccccc1OCC(C)C ZINC000470263655 884611547 /nfs/dbraw/zinc/61/15/47/884611547.db2.gz NHHXMZPZDWTVRY-SFHVURJKSA-N 0 0 402.495 4.038 20 5 HIBDRN Cc1csc(Oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2F)n1 ZINC000470265564 884615058 /nfs/dbraw/zinc/61/50/58/884615058.db2.gz VSGPVIJCZHKUJZ-UHFFFAOYSA-N 0 0 423.447 4.400 20 5 HIBDRN Cc1sc(NC(=O)CCNc2ccccc2[N+](=O)[O-])nc1-c1c[nH]c2ncccc12 ZINC000503898802 912856455 /nfs/dbraw/zinc/85/64/55/912856455.db2.gz VIIYULSFWDGYEC-UHFFFAOYSA-N 0 0 422.470 4.344 20 5 HIBDRN Cc1ccc(-c2cnc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)s2)c(C)c1 ZINC000470352291 884744467 /nfs/dbraw/zinc/74/44/67/884744467.db2.gz CIDKDGTVIMEATP-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)n(C(C)(C)C)n1 ZINC000470353923 884746601 /nfs/dbraw/zinc/74/66/01/884746601.db2.gz NXDXAMJLQLDDOW-UHFFFAOYSA-N 0 0 415.494 4.139 20 5 HIBDRN O=C(Nc1cccc(Oc2ccncc2)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470361987 884757420 /nfs/dbraw/zinc/75/74/20/884757420.db2.gz GVPREBXCXWGVEN-UHFFFAOYSA-N 0 0 406.398 4.077 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000470384190 884783474 /nfs/dbraw/zinc/78/34/74/884783474.db2.gz VJKMJOKFLPBXFJ-GFCCVEGCSA-N 0 0 417.849 4.324 20 5 HIBDRN Cc1cnccc1OC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000470403461 884808127 /nfs/dbraw/zinc/80/81/27/884808127.db2.gz JZGFMUOBUQQKNK-UHFFFAOYSA-N 0 0 424.482 4.105 20 5 HIBDRN O=C(Nc1cccc(CCC(F)(F)F)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470409788 884813868 /nfs/dbraw/zinc/81/38/68/884813868.db2.gz SVOBRMLWKSSLRE-UHFFFAOYSA-N 0 0 409.364 4.385 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000470491593 884877663 /nfs/dbraw/zinc/87/76/63/884877663.db2.gz IDQXTZKPOWROPY-NSHDSACASA-N 0 0 409.826 4.315 20 5 HIBDRN Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1C(=O)N1CCCCC1 ZINC000470511940 884900872 /nfs/dbraw/zinc/90/08/72/884900872.db2.gz AONZVKIALOIRAK-UHFFFAOYSA-N 0 0 406.442 4.263 20 5 HIBDRN O=C(Nc1nnc(-c2cc3ccccc3o2)s1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000470525578 884918604 /nfs/dbraw/zinc/91/86/04/884918604.db2.gz IVTWFDQZNGFTAT-UHFFFAOYSA-N 0 0 421.438 4.450 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccnc(Oc2ccccc2F)c1 ZINC000470533575 884934259 /nfs/dbraw/zinc/93/42/59/884934259.db2.gz LFMUADHWSIHEFH-UHFFFAOYSA-N 0 0 420.400 4.192 20 5 HIBDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000470562637 884978460 /nfs/dbraw/zinc/97/84/60/884978460.db2.gz IULRFCKMMQSNMA-UHFFFAOYSA-N 0 0 411.437 4.118 20 5 HIBDRN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000470567829 884985419 /nfs/dbraw/zinc/98/54/19/884985419.db2.gz BCUJHOLLRHTVCW-LURJTMIESA-N 0 0 424.198 4.324 20 5 HIBDRN O=C(N[C@H](CCO)c1ccco1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000470573914 884989586 /nfs/dbraw/zinc/98/95/86/884989586.db2.gz LFOGRHFULIEMKY-MRXNPFEDSA-N 0 0 416.817 4.487 20 5 HIBDRN COC(=O)c1nc([C@H]2CCCN2C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)sc1C ZINC000470644083 885068015 /nfs/dbraw/zinc/06/80/15/885068015.db2.gz YJMQJXMOMZERFJ-CQSZACIVSA-N 0 0 418.475 4.132 20 5 HIBDRN CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000470652416 885074732 /nfs/dbraw/zinc/07/47/32/885074732.db2.gz NRMZFXDCUKCVQQ-CYBMUJFWSA-N 0 0 420.849 4.453 20 5 HIBDRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470702790 885142045 /nfs/dbraw/zinc/14/20/45/885142045.db2.gz GATPLSNZOYFDRU-MRVPVSSYSA-N 0 0 401.163 4.042 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470714404 885154552 /nfs/dbraw/zinc/15/45/52/885154552.db2.gz ROXLPJMPMRKRGG-GFCCVEGCSA-N 0 0 421.240 4.071 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000470750947 885216785 /nfs/dbraw/zinc/21/67/85/885216785.db2.gz HEYHWVDLOMQEMH-UHFFFAOYSA-N 0 0 401.419 4.432 20 5 HIBDRN O=C(Nc1ccccc1O[C@H]1CCOC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000470761915 885228540 /nfs/dbraw/zinc/22/85/40/885228540.db2.gz ZVNDQKPAUNHRCW-HNNXBMFYSA-N 0 0 411.439 4.138 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000470827730 885316937 /nfs/dbraw/zinc/31/69/37/885316937.db2.gz WTZSYCNPMRVDDA-UHFFFAOYSA-N 0 0 419.437 4.176 20 5 HIBDRN COc1ccc(C(=O)Nc2cccc(OCCNc3cc(C)c([N+](=O)[O-])cn3)c2)cc1 ZINC000470859759 885351688 /nfs/dbraw/zinc/35/16/88/885351688.db2.gz PEILRQFOGNTMPI-UHFFFAOYSA-N 0 0 422.441 4.050 20 5 HIBDRN CCn1c(=O)c2c3c(sc2nc1Sc1cc(C)c([N+](=O)[O-])cn1)CCCC3 ZINC000470862719 885353578 /nfs/dbraw/zinc/35/35/78/885353578.db2.gz OELPPRUIIUFVNM-UHFFFAOYSA-N 0 0 402.501 4.120 20 5 HIBDRN CCCOc1cc(F)ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000470879373 885370495 /nfs/dbraw/zinc/37/04/95/885370495.db2.gz HUENEUHVKGDQQJ-UHFFFAOYSA-N 0 0 401.438 4.378 20 5 HIBDRN Cc1ccc(NCCCNC(=O)c2cc3c(C(F)F)nn(C)c3s2)c([N+](=O)[O-])c1 ZINC000470967680 885467426 /nfs/dbraw/zinc/46/74/26/885467426.db2.gz LESWSMDOAPXPMK-UHFFFAOYSA-N 0 0 423.445 4.021 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000471055242 885569521 /nfs/dbraw/zinc/56/95/21/885569521.db2.gz CQMJATXPHFQAAK-ZDUSSCGKSA-N 0 0 410.430 4.097 20 5 HIBDRN C[C@@]1(O)CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000471074074 885593547 /nfs/dbraw/zinc/59/35/47/885593547.db2.gz ZVNFMCFNHBDCTJ-PZJWPPBQSA-N 0 0 417.893 4.165 20 5 HIBDRN Cc1ccc([C@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccn2)cc1 ZINC000471076269 885599887 /nfs/dbraw/zinc/59/98/87/885599887.db2.gz MRHPTGBTRGUZJR-NRFANRHFSA-N 0 0 401.426 4.227 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000471077523 885601647 /nfs/dbraw/zinc/60/16/47/885601647.db2.gz SKEBOOJAIMAHBC-UHFFFAOYSA-N 0 0 411.487 4.234 20 5 HIBDRN Cc1cc(=NC(=O)c2cc3c(C(F)F)nn(C)c3s2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000471113603 885648216 /nfs/dbraw/zinc/64/82/16/885648216.db2.gz BGUPNMVOSCAHEX-UHFFFAOYSA-N 0 0 417.397 4.011 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000471151439 885699100 /nfs/dbraw/zinc/69/91/00/885699100.db2.gz MVPCDDQOGQSWLR-ZDUSSCGKSA-N 0 0 420.849 4.315 20 5 HIBDRN Cc1cccc(CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])Cc2ccccn2)c1 ZINC000471176296 885738043 /nfs/dbraw/zinc/73/80/43/885738043.db2.gz IRWBZSUMKMCMTJ-UHFFFAOYSA-N 0 0 404.470 4.248 20 5 HIBDRN Cc1c2ccccc2n(C)c1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471230665 885805117 /nfs/dbraw/zinc/80/51/17/885805117.db2.gz VEAKECPXOOARLJ-UHFFFAOYSA-N 0 0 401.850 4.134 20 5 HIBDRN COC1CCC(C)(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000471264849 885844106 /nfs/dbraw/zinc/84/41/06/885844106.db2.gz NYEJCCACDHRUOA-UHFFFAOYSA-N 0 0 403.523 4.156 20 5 HIBDRN C[C@@H](NC(=O)COc1c(Cl)cccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000471295597 885881377 /nfs/dbraw/zinc/88/13/77/885881377.db2.gz BPRPIGXAMQXADE-SNVBAGLBSA-N 0 0 418.755 4.403 20 5 HIBDRN COCCCn1c(Sc2ccc([N+](=O)[O-])c(C)n2)nnc1-c1ccccc1Cl ZINC000471299914 885888628 /nfs/dbraw/zinc/88/86/28/885888628.db2.gz IONMLZYDDWWLSM-UHFFFAOYSA-N 0 0 419.894 4.398 20 5 HIBDRN CSc1ccccc1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000471306813 885896421 /nfs/dbraw/zinc/89/64/21/885896421.db2.gz RTKBIBMLASZITM-UHFFFAOYSA-N 0 0 409.305 4.280 20 5 HIBDRN COCCCC[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000471328723 885923748 /nfs/dbraw/zinc/92/37/48/885923748.db2.gz FPAYSBOKRXLHSL-FQEVSTJZSA-N 0 0 408.458 4.068 20 5 HIBDRN C[C@@H](NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000471329235 885925777 /nfs/dbraw/zinc/92/57/77/885925777.db2.gz HHMBIQKCNKKQGK-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN COc1ccc(NC(=O)c2cc(Br)cc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000471368277 886005060 /nfs/dbraw/zinc/00/50/60/886005060.db2.gz APYOYYBLNJIPDI-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN Cc1nnc(-c2cc(F)ccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000471381894 886030931 /nfs/dbraw/zinc/03/09/31/886030931.db2.gz YAIMQYBWEMCAQT-UHFFFAOYSA-N 0 0 421.182 4.107 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000471386561 886034463 /nfs/dbraw/zinc/03/44/63/886034463.db2.gz UTYFEROZYANLMI-LBPRGKRZSA-N 0 0 416.359 4.391 20 5 HIBDRN CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000504097493 913007522 /nfs/dbraw/zinc/00/75/22/913007522.db2.gz WGISBHJIVKIQMJ-GOSISDBHSA-N 0 0 414.412 4.400 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000471458346 886136099 /nfs/dbraw/zinc/13/60/99/886136099.db2.gz LBFBUSQCGUASPY-QFBILLFUSA-N 0 0 414.527 4.316 20 5 HIBDRN COc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000471480549 886177983 /nfs/dbraw/zinc/17/79/83/886177983.db2.gz NEQASASVXPQKAH-SNVBAGLBSA-N 0 0 411.277 4.485 20 5 HIBDRN COC[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000471512348 886214929 /nfs/dbraw/zinc/21/49/29/886214929.db2.gz BHLWVOPMQZCAHX-GFCCVEGCSA-N 0 0 418.393 4.111 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1[N+](=O)[O-] ZINC000471528159 886231289 /nfs/dbraw/zinc/23/12/89/886231289.db2.gz DVZKFUDESATFAV-UHFFFAOYSA-N 0 0 411.389 4.359 20 5 HIBDRN O=C(NCc1nc(CNc2ccc(Cl)cc2[N+](=O)[O-])cs1)c1ccccc1 ZINC000471545899 886252819 /nfs/dbraw/zinc/25/28/19/886252819.db2.gz DEIZZZCONIYXBZ-UHFFFAOYSA-N 0 0 402.863 4.247 20 5 HIBDRN CN(Cc1ccnn1C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000471560110 886270304 /nfs/dbraw/zinc/27/03/04/886270304.db2.gz OCJWMQCNHXYHLX-UHFFFAOYSA-N 0 0 400.822 4.046 20 5 HIBDRN O=[N+]([O-])c1cccc([C@@H](NCc2nc(COc3ccccc3)n[nH]2)c2ccccc2)c1 ZINC000471589918 886301744 /nfs/dbraw/zinc/30/17/44/886301744.db2.gz IRTVTXJURYMZLX-QHCPKHFHSA-N 0 0 415.453 4.171 20 5 HIBDRN O=[N+]([O-])c1cccc([C@H](NCc2nc(COc3ccccc3)n[nH]2)c2ccccc2)c1 ZINC000471589917 886303058 /nfs/dbraw/zinc/30/30/58/886303058.db2.gz IRTVTXJURYMZLX-HSZRJFAPSA-N 0 0 415.453 4.171 20 5 HIBDRN COc1cc(C(=O)NCCCc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1OC ZINC000471603218 886316105 /nfs/dbraw/zinc/31/61/05/886316105.db2.gz RVIVNLLKQDVEEK-UHFFFAOYSA-N 0 0 413.257 4.281 20 5 HIBDRN CCOc1ccccc1[C@@H](CC)NC(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000471867168 886644838 /nfs/dbraw/zinc/64/48/38/886644838.db2.gz ACRLHHIHUSPVBR-QGZVFWFLSA-N 0 0 409.442 4.188 20 5 HIBDRN CCc1ccc(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000471903023 886686563 /nfs/dbraw/zinc/68/65/63/886686563.db2.gz PRSYCZKMVCXMDW-UHFFFAOYSA-N 0 0 424.478 4.383 20 5 HIBDRN CCc1ccc(C(=O)Nc2cc(Br)ccc2NC(C)=O)cc1[N+](=O)[O-] ZINC000471923734 886712751 /nfs/dbraw/zinc/71/27/51/886712751.db2.gz YKUOJMXSJBLFGX-UHFFFAOYSA-N 0 0 406.236 4.130 20 5 HIBDRN CCCN(C(=O)c1ccc(CC)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000471925389 886716281 /nfs/dbraw/zinc/71/62/81/886716281.db2.gz RYLNCQZXTFYVSB-UHFFFAOYSA-N 0 0 423.513 4.314 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471928897 886720043 /nfs/dbraw/zinc/72/00/43/886720043.db2.gz SLLVPSWMHBEUOZ-ROUUACIJSA-N 0 0 406.845 4.263 20 5 HIBDRN O=[N+]([O-])c1cc(F)ccc1NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000504193134 913077465 /nfs/dbraw/zinc/07/74/65/913077465.db2.gz FHTZJNHKIWLIEY-GOSISDBHSA-N 0 0 413.371 4.238 20 5 HIBDRN CCc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-] ZINC000471981631 886810024 /nfs/dbraw/zinc/81/00/24/886810024.db2.gz VTSOOHSOLMODBS-QGZVFWFLSA-N 0 0 424.432 4.366 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3c(F)cccc3F)CC2)cc1OC ZINC000472000626 886825104 /nfs/dbraw/zinc/82/51/04/886825104.db2.gz DYYOZLXMOQCQBA-UHFFFAOYSA-N 0 0 418.396 4.210 20 5 HIBDRN O=C(NCCc1ccccc1OC(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000472083782 886884521 /nfs/dbraw/zinc/88/45/21/886884521.db2.gz FXSMJVUXESJNQU-UHFFFAOYSA-N 0 0 405.401 4.113 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000472207203 887008787 /nfs/dbraw/zinc/00/87/87/887008787.db2.gz NUMKJDVVYNCLPZ-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2c[nH]c3ncc(Br)cc23)cc1[N+](=O)[O-] ZINC000472240755 887049215 /nfs/dbraw/zinc/04/92/15/887049215.db2.gz KXCWTOYCBHTYKJ-JTQLQIEISA-N 0 0 403.236 4.033 20 5 HIBDRN Cc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc([N+](=O)[O-])c1 ZINC000504243420 913110343 /nfs/dbraw/zinc/11/03/43/913110343.db2.gz ISIMTJADPPHHLK-OAHLLOKOSA-N 0 0 404.426 4.042 20 5 HIBDRN Cc1ccc(SC[C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000472281471 887099901 /nfs/dbraw/zinc/09/99/01/887099901.db2.gz UATMFAFMJMXTTQ-QGZVFWFLSA-N 0 0 413.543 4.417 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000472286622 887105804 /nfs/dbraw/zinc/10/58/04/887105804.db2.gz VFJLXBVGNDMKHE-KRWDZBQOSA-N 0 0 410.417 4.473 20 5 HIBDRN CCc1c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccc(OC)cc1 ZINC000472322919 887155917 /nfs/dbraw/zinc/15/59/17/887155917.db2.gz GNSKQVDZDHLOKL-OAHLLOKOSA-N 0 0 408.458 4.151 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C1(CCOCc2ccccc2)CC1 ZINC000472373895 887213265 /nfs/dbraw/zinc/21/32/65/887213265.db2.gz GKFCMXQYIBEVPL-UHFFFAOYSA-N 0 0 402.878 4.294 20 5 HIBDRN O=C(NCC1CCN(c2ccccc2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000472379725 887220874 /nfs/dbraw/zinc/22/08/74/887220874.db2.gz IHHWVXVETAPSTM-UHFFFAOYSA-N 0 0 408.502 4.185 20 5 HIBDRN O=C(c1ccc2nc(C(F)(F)F)cn2c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000472379995 887221960 /nfs/dbraw/zinc/22/19/60/887221960.db2.gz FQHTVKNTKCLMOO-UHFFFAOYSA-N 0 0 404.348 4.066 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000472401904 887249452 /nfs/dbraw/zinc/24/94/52/887249452.db2.gz HPOYJAREXGBNNG-LLVKDONJSA-N 0 0 400.822 4.352 20 5 HIBDRN O=C(c1cc(NCCc2ccccc2OC(F)F)ccc1[N+](=O)[O-])N1CCCC1 ZINC000472424163 887272325 /nfs/dbraw/zinc/27/23/25/887272325.db2.gz HGWSYCMYHKCZOS-UHFFFAOYSA-N 0 0 405.401 4.087 20 5 HIBDRN COCC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000472483259 887348187 /nfs/dbraw/zinc/34/81/87/887348187.db2.gz HSQAYORJQSTCHC-UHFFFAOYSA-N 0 0 408.401 4.264 20 5 HIBDRN COCC(C)(C)N(Cc1ccccc1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000472487498 887353708 /nfs/dbraw/zinc/35/37/08/887353708.db2.gz PPWAQBYOPANPNH-UHFFFAOYSA-N 0 0 418.515 4.393 20 5 HIBDRN O=C(NCCOCC(F)F)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000472498998 887367113 /nfs/dbraw/zinc/36/71/13/887367113.db2.gz LPWUFZFOMYAVNI-UHFFFAOYSA-N 0 0 416.833 4.411 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)Cc3cccn3C)cc2[N+](=O)[O-])n1 ZINC000472513065 887382325 /nfs/dbraw/zinc/38/23/25/887382325.db2.gz CQYFZKVJWVMQTE-UHFFFAOYSA-N 0 0 402.501 4.122 20 5 HIBDRN CCOc1cc(NC(=O)c2nn(-c3ccccc3)cc2C)c([N+](=O)[O-])cc1OCC ZINC000472526171 887396800 /nfs/dbraw/zinc/39/68/00/887396800.db2.gz XVSOKUNQHDBSAS-UHFFFAOYSA-N 0 0 410.430 4.139 20 5 HIBDRN CC(C)(C)OCc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)no1 ZINC000472531471 887403758 /nfs/dbraw/zinc/40/37/58/887403758.db2.gz BVFKWHPSXHJYJY-UHFFFAOYSA-N 0 0 423.425 4.381 20 5 HIBDRN CCNc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1[N+](=O)[O-] ZINC000472545171 887423864 /nfs/dbraw/zinc/42/38/64/887423864.db2.gz YFSCEIFBPINFRQ-GFCCVEGCSA-N 0 0 413.409 4.015 20 5 HIBDRN CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000472548250 887429558 /nfs/dbraw/zinc/42/95/58/887429558.db2.gz CKUJSPONPYOYCW-LJQANCHMSA-N 0 0 401.438 4.309 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000504292679 913145854 /nfs/dbraw/zinc/14/58/54/913145854.db2.gz BWOGXNFCQJZYAZ-OAHLLOKOSA-N 0 0 401.422 4.439 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000504292678 913146316 /nfs/dbraw/zinc/14/63/16/913146316.db2.gz BWOGXNFCQJZYAZ-HNNXBMFYSA-N 0 0 401.422 4.439 20 5 HIBDRN CN(C)S(=O)(=O)c1cccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000472570346 887456724 /nfs/dbraw/zinc/45/67/24/887456724.db2.gz NUKQFUNBTHNBCF-UHFFFAOYSA-N 0 0 417.512 4.186 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000472598765 887471015 /nfs/dbraw/zinc/47/10/15/887471015.db2.gz MBTDCJKQGFXSQF-SFHVURJKSA-N 0 0 419.840 4.374 20 5 HIBDRN CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000472622624 887489731 /nfs/dbraw/zinc/48/97/31/887489731.db2.gz MHBUNPZBOGMBHS-FQEVSTJZSA-N 0 0 413.449 4.138 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)C2)c1 ZINC000504300116 913151143 /nfs/dbraw/zinc/15/11/43/913151143.db2.gz UICCHBKPTHYGHE-ZWKOTPCHSA-N 0 0 421.497 4.042 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C)CC3(C)C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000472634506 887498853 /nfs/dbraw/zinc/49/88/53/887498853.db2.gz CDZCMQZOVQWZKC-GJZGRUSLSA-N 0 0 401.507 4.116 20 5 HIBDRN CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000472703181 887557020 /nfs/dbraw/zinc/55/70/20/887557020.db2.gz JJMLEVYDXFDYBH-INIZCTEOSA-N 0 0 417.535 4.305 20 5 HIBDRN Cc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)nn1CCCOc1ccc(F)cc1 ZINC000504323910 913167031 /nfs/dbraw/zinc/16/70/31/913167031.db2.gz GACUQKYWMUIGJP-UHFFFAOYSA-N 0 0 412.421 4.269 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000472907497 887753803 /nfs/dbraw/zinc/75/38/03/887753803.db2.gz RUUGYYDYWHVTKP-UHFFFAOYSA-N 0 0 410.405 4.372 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c(C)cc1C ZINC000472964240 887811463 /nfs/dbraw/zinc/81/14/63/887811463.db2.gz RNORMMLJPQJJFK-UHFFFAOYSA-N 0 0 418.424 4.476 20 5 HIBDRN COc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000472966378 887813228 /nfs/dbraw/zinc/81/32/28/887813228.db2.gz KSKYUSCRCVRALZ-QGZVFWFLSA-N 0 0 401.463 4.199 20 5 HIBDRN CC(C)(C)c1ccc(Oc2ccc(CN3CCn4ncnc4C3)cc2[N+](=O)[O-])cc1 ZINC000473056512 887877479 /nfs/dbraw/zinc/87/74/79/887877479.db2.gz JPRDFNNKAYFQJA-UHFFFAOYSA-N 0 0 407.474 4.292 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000473181191 887960417 /nfs/dbraw/zinc/96/04/17/887960417.db2.gz JBDZUTQBUIXYOC-CYBMUJFWSA-N 0 0 415.456 4.285 20 5 HIBDRN CC(C)c1ccc(C(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000473181877 887961586 /nfs/dbraw/zinc/96/15/86/887961586.db2.gz BWWZPFKUPHKBIU-UHFFFAOYSA-N 0 0 409.486 4.095 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCO[C@@H](c4cccs4)C3)cc2[N+](=O)[O-])C1 ZINC000473183774 887963631 /nfs/dbraw/zinc/96/36/31/887963631.db2.gz PUEUUJDAUZJRAQ-DNVCBOLYSA-N 0 0 415.515 4.106 20 5 HIBDRN COc1cc(-c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)ccc1OC(F)F ZINC000504367411 913197750 /nfs/dbraw/zinc/19/77/50/913197750.db2.gz DJHLNMCUWMXLCN-UHFFFAOYSA-N 0 0 418.356 4.496 20 5 HIBDRN O=C(c1ccc(CCC(F)(F)F)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000504371846 913201383 /nfs/dbraw/zinc/20/13/83/913201383.db2.gz TWKGTJZBSHUWFJ-UHFFFAOYSA-N 0 0 407.392 4.052 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)cc([N+](=O)[O-])c1C ZINC000473252525 888017067 /nfs/dbraw/zinc/01/70/67/888017067.db2.gz DAZHMQMKCCCXRO-UHFFFAOYSA-N 0 0 401.316 4.277 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000473319137 888063368 /nfs/dbraw/zinc/06/33/68/888063368.db2.gz XEJDPBWFMXKEFK-GFCCVEGCSA-N 0 0 423.391 4.171 20 5 HIBDRN Cc1ccc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1Br ZINC000504383059 913207178 /nfs/dbraw/zinc/20/71/78/913207178.db2.gz YZLKTKAVAWFOJK-JYRVWZFOSA-N 0 0 412.243 4.320 20 5 HIBDRN COc1cc(CCNC(=O)C(C)(C)c2ccc(Cl)cc2F)c([N+](=O)[O-])cc1OC ZINC000473391397 888104853 /nfs/dbraw/zinc/10/48/53/888104853.db2.gz RRZKZLKOGCSOQH-UHFFFAOYSA-N 0 0 424.856 4.041 20 5 HIBDRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000473395820 888108210 /nfs/dbraw/zinc/10/82/10/888108210.db2.gz OKHIPQTVNRHXCY-YMTOWFKASA-N 0 0 410.342 4.372 20 5 HIBDRN COC(=O)COc1ccc(-c2nc3cc(Cl)ccc3n2C2CC2)cc1[N+](=O)[O-] ZINC000473451636 888176397 /nfs/dbraw/zinc/17/63/97/888176397.db2.gz FGMBACDBNKLCQF-UHFFFAOYSA-N 0 0 401.806 4.152 20 5 HIBDRN COC(=O)COc1ccc(-c2nc3cc(Br)ccc3s2)cc1[N+](=O)[O-] ZINC000473457189 888181981 /nfs/dbraw/zinc/18/19/81/888181981.db2.gz ZLBAYRIBVXWRSB-UHFFFAOYSA-N 0 0 423.244 4.186 20 5 HIBDRN COc1cc(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-] ZINC000473586864 888329985 /nfs/dbraw/zinc/32/99/85/888329985.db2.gz DMKAISMBNSZFSO-UHFFFAOYSA-N 0 0 401.806 4.150 20 5 HIBDRN C[C@]1(O)CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000473589689 888332931 /nfs/dbraw/zinc/33/29/31/888332931.db2.gz HMPKTCVGCQYHRJ-NRFANRHFSA-N 0 0 417.893 4.237 20 5 HIBDRN O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000473664366 888419456 /nfs/dbraw/zinc/41/94/56/888419456.db2.gz XQLSDICENFTJHH-UHFFFAOYSA-N 0 0 413.384 4.116 20 5 HIBDRN Cc1cc(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000473778914 888582944 /nfs/dbraw/zinc/58/29/44/888582944.db2.gz WOUQOMZDOJWMMM-KRWDZBQOSA-N 0 0 420.263 4.271 20 5 HIBDRN Cc1cc(NC(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)ccc1[N+](=O)[O-] ZINC000473792097 888606037 /nfs/dbraw/zinc/60/60/37/888606037.db2.gz ZXKCWVHIAQDBRB-UHFFFAOYSA-N 0 0 417.469 4.183 20 5 HIBDRN CCCCn1c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1[C@H](CC)N(C)C ZINC000473797412 888616522 /nfs/dbraw/zinc/61/65/22/888616522.db2.gz JCLMPJFGOUQNMJ-INIZCTEOSA-N 0 0 417.539 4.168 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CSc3nnc(-c4ccc(OC(F)F)cc4)o3)nc2c1 ZINC000473798086 888618279 /nfs/dbraw/zinc/61/82/79/888618279.db2.gz WKHZSOKFIRRTJR-UHFFFAOYSA-N 0 0 419.369 4.415 20 5 HIBDRN CCN(C[C@@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000473856999 888707571 /nfs/dbraw/zinc/70/75/71/888707571.db2.gz FPGQJKKOOJZQCR-AWEZNQCLSA-N 0 0 401.429 4.065 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000473859212 888711978 /nfs/dbraw/zinc/71/19/78/888711978.db2.gz YYYPSFWLSFPFKL-UHFFFAOYSA-N 0 0 419.865 4.139 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000473888861 888758281 /nfs/dbraw/zinc/75/82/81/888758281.db2.gz SWEHGHNQDGXRPP-UHFFFAOYSA-N 0 0 423.513 4.026 20 5 HIBDRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000473894202 888766132 /nfs/dbraw/zinc/76/61/32/888766132.db2.gz KIDKMTNGUYQRPI-CQSZACIVSA-N 0 0 404.467 4.107 20 5 HIBDRN COc1ccc([C@H]2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000504495175 913285101 /nfs/dbraw/zinc/28/51/01/913285101.db2.gz YMCVKYCBKTXOEO-ZFWWWQNUSA-N 0 0 403.866 4.073 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1CSc1nnc(-c2ccncc2)n1CC(F)(F)F ZINC000504507334 913296600 /nfs/dbraw/zinc/29/66/00/913296600.db2.gz HQOYVDKVUGYVOW-UHFFFAOYSA-N 0 0 413.356 4.242 20 5 HIBDRN O=C(CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CCC(Cc2ccccc2)CC1 ZINC000474158861 888992888 /nfs/dbraw/zinc/99/28/88/888992888.db2.gz NAYBIFZDHIUTTD-UHFFFAOYSA-N 0 0 419.428 4.089 20 5 HIBDRN COCCN(C(=O)[C@@H]1CC12CCCC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000474216570 889055109 /nfs/dbraw/zinc/05/51/09/889055109.db2.gz DVRACMHZPNADTH-INIZCTEOSA-N 0 0 401.488 4.278 20 5 HIBDRN CC(C)CN(C(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000504532218 913313516 /nfs/dbraw/zinc/31/35/16/913313516.db2.gz GYGHRBTVDZEAMK-ZTFGCOKTSA-N 0 0 401.488 4.132 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000474306687 889172656 /nfs/dbraw/zinc/17/26/56/889172656.db2.gz CLTSJICZYAOQGT-CQSZACIVSA-N 0 0 421.862 4.305 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1SC ZINC000474335620 889209344 /nfs/dbraw/zinc/20/93/44/889209344.db2.gz WUHGXKNOCZQLMQ-JKSUJKDBSA-N 0 0 400.500 4.467 20 5 HIBDRN COC(=O)COc1ccc(CNc2ccccc2N2CCCCCC2)cc1[N+](=O)[O-] ZINC000474361492 889239144 /nfs/dbraw/zinc/23/91/44/889239144.db2.gz DNZPXIILJUTRFR-UHFFFAOYSA-N 0 0 413.474 4.139 20 5 HIBDRN COC(=O)COc1ccc(CN[C@@H](C)c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000474367662 889246307 /nfs/dbraw/zinc/24/63/07/889246307.db2.gz DYBUDYDLTJBQAP-NSHDSACASA-N 0 0 413.257 4.304 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000474508415 889372356 /nfs/dbraw/zinc/37/23/56/889372356.db2.gz CWYYOJNDRJCWKF-VXGBXAGGSA-N 0 0 407.268 4.182 20 5 HIBDRN COc1c(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000474596733 889465013 /nfs/dbraw/zinc/46/50/13/889465013.db2.gz TWHLMWQHFNWJQZ-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN C/C=C\C[C@@H](CO)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000474631510 889494417 /nfs/dbraw/zinc/49/44/17/889494417.db2.gz GFKDPGARNRAYRU-SFAKSCPVSA-N 0 0 406.891 4.456 20 5 HIBDRN O=C(COc1cccc(C(F)(F)F)n1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000474698663 889557865 /nfs/dbraw/zinc/55/78/65/889557865.db2.gz ZAJDCFATRLJUIL-UHFFFAOYSA-N 0 0 424.360 4.150 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000474727515 889583289 /nfs/dbraw/zinc/58/32/89/889583289.db2.gz RJUXJRAZJFQMOB-KBPBESRZSA-N 0 0 413.865 4.093 20 5 HIBDRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000474727518 889583504 /nfs/dbraw/zinc/58/35/04/889583504.db2.gz RJUXJRAZJFQMOB-ZIAGYGMSSA-N 0 0 413.865 4.093 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474737719 889592927 /nfs/dbraw/zinc/59/29/27/889592927.db2.gz DWNGPTZUUXBVIG-CABCVRRESA-N 0 0 417.893 4.019 20 5 HIBDRN Cc1c(COC(C)(C)C)cccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000474756523 889615130 /nfs/dbraw/zinc/61/51/30/889615130.db2.gz JLQLOYWSWVVZFN-UHFFFAOYSA-N 0 0 400.431 4.242 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1NCCc1nc2ccccc2n1C(F)F ZINC000474782631 889640408 /nfs/dbraw/zinc/64/04/08/889640408.db2.gz GHGDHGXROIXUCK-UHFFFAOYSA-N 0 0 412.194 4.152 20 5 HIBDRN COc1c(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cccc1[N+](=O)[O-] ZINC000474789312 889645232 /nfs/dbraw/zinc/64/52/32/889645232.db2.gz DUEBQNTYVLNRRD-UHFFFAOYSA-N 0 0 415.789 4.354 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000474838969 889698788 /nfs/dbraw/zinc/69/87/88/889698788.db2.gz VLBDXSKVOAUQGN-IBGZPJMESA-N 0 0 423.391 4.215 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCOc4c(C)cccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000474881239 889736929 /nfs/dbraw/zinc/73/69/29/889736929.db2.gz VDIGBNRTPSQLLR-HXUWFJFHSA-N 0 0 420.469 4.018 20 5 HIBDRN CS(=O)(=O)N1CCCc2cc(-c3csc(-c4ccccc4[N+](=O)[O-])n3)ccc21 ZINC000474927325 889785467 /nfs/dbraw/zinc/78/54/67/889785467.db2.gz QIJDXNJKSMWFJX-UHFFFAOYSA-N 0 0 415.496 4.098 20 5 HIBDRN C[C@H]1Cc2cc(-c3csc(-c4ccccc4[N+](=O)[O-])n3)ccc2N1S(C)(=O)=O ZINC000474925716 889785487 /nfs/dbraw/zinc/78/54/87/889785487.db2.gz GCHZBTUUSOARSR-LBPRGKRZSA-N 0 0 415.496 4.096 20 5 HIBDRN O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])o1 ZINC000474967478 889822755 /nfs/dbraw/zinc/82/27/55/889822755.db2.gz FTPBKDWYKFHBDL-HNNXBMFYSA-N 0 0 416.231 4.059 20 5 HIBDRN O=C(Nc1ccccc1OCC(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000475022543 889874278 /nfs/dbraw/zinc/87/42/78/889874278.db2.gz JANWXDMILWKPPV-UHFFFAOYSA-N 0 0 421.400 4.314 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000475076501 889921298 /nfs/dbraw/zinc/92/12/98/889921298.db2.gz BPHOUIFFBIVASC-ZDUSSCGKSA-N 0 0 409.273 4.004 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c1 ZINC000475095873 889942040 /nfs/dbraw/zinc/94/20/40/889942040.db2.gz KYJPAFUHASGSET-CYBMUJFWSA-N 0 0 424.284 4.309 20 5 HIBDRN Cc1cc(F)c(Br)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000475097662 889944574 /nfs/dbraw/zinc/94/45/74/889944574.db2.gz VOEOATXGWDUHBA-UHFFFAOYSA-N 0 0 406.211 4.398 20 5 HIBDRN Cc1nc([C@H]2CCCCCN2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000475186872 890057404 /nfs/dbraw/zinc/05/74/04/890057404.db2.gz UVCKDNDTEHBJPB-CQSZACIVSA-N 0 0 413.356 4.454 20 5 HIBDRN CCCNC(=O)c1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000475190624 890060882 /nfs/dbraw/zinc/06/08/82/890060882.db2.gz ALKYMBXFBWBZJP-UHFFFAOYSA-N 0 0 424.379 4.075 20 5 HIBDRN O=C(NCCCn1cnc2ccccc21)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475201905 890071573 /nfs/dbraw/zinc/07/15/73/890071573.db2.gz HZEYYYOONAGXAD-UHFFFAOYSA-N 0 0 407.352 4.175 20 5 HIBDRN Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(C)c1 ZINC000475203159 890073675 /nfs/dbraw/zinc/07/36/75/890073675.db2.gz FPSTYAVQXGKWLO-UHFFFAOYSA-N 0 0 424.379 4.299 20 5 HIBDRN COc1ccccc1OCCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475213772 890083913 /nfs/dbraw/zinc/08/39/13/890083913.db2.gz XCHFRXPJHPLGMO-UHFFFAOYSA-N 0 0 413.352 4.165 20 5 HIBDRN CCc1ccc([C@@H](COC)NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)o1 ZINC000475215087 890084945 /nfs/dbraw/zinc/08/49/45/890084945.db2.gz KOUXSMLELHLWPZ-CYBMUJFWSA-N 0 0 401.341 4.278 20 5 HIBDRN CCC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000475220295 890088526 /nfs/dbraw/zinc/08/85/26/890088526.db2.gz OHXSOHWANAIDDK-ZDUSSCGKSA-N 0 0 422.367 4.319 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCO[C@@H](c2cccs2)C1 ZINC000475233602 890105742 /nfs/dbraw/zinc/10/57/42/890105742.db2.gz LQJBAAYZHVVYQA-CYBMUJFWSA-N 0 0 401.366 4.281 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Br)cn1 ZINC000475233774 890106325 /nfs/dbraw/zinc/10/63/25/890106325.db2.gz OKECFCKPHCYBCW-LBPRGKRZSA-N 0 0 419.279 4.188 20 5 HIBDRN C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000475235690 890109552 /nfs/dbraw/zinc/10/95/52/890109552.db2.gz LEERYXDTGRXOLY-LLVKDONJSA-N 0 0 407.268 4.048 20 5 HIBDRN C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000475235692 890109824 /nfs/dbraw/zinc/10/98/24/890109824.db2.gz LEERYXDTGRXOLY-NSHDSACASA-N 0 0 407.268 4.048 20 5 HIBDRN COc1cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475270343 890166640 /nfs/dbraw/zinc/16/66/40/890166640.db2.gz RXRXFZNFWHMKPH-HJPURHCSSA-N 0 0 412.486 4.182 20 5 HIBDRN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c2ccccc2)cc1 ZINC000475310773 890224222 /nfs/dbraw/zinc/22/42/22/890224222.db2.gz DZVIYUYVRSTDHK-IBGZPJMESA-N 0 0 418.453 4.107 20 5 HIBDRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000475313611 890229232 /nfs/dbraw/zinc/22/92/32/890229232.db2.gz FDZXQLDXUILDGK-UHFFFAOYSA-N 0 0 413.865 4.244 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(I)ccc1F ZINC000475429852 890349963 /nfs/dbraw/zinc/34/99/63/890349963.db2.gz ISIUGBVLCGYMAU-UHFFFAOYSA-N 0 0 414.174 4.208 20 5 HIBDRN CC(C)Sc1ccc([C@@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000504710442 913443694 /nfs/dbraw/zinc/44/36/94/913443694.db2.gz BMKUIVLTILSKRQ-CYBMUJFWSA-N 0 0 402.472 4.358 20 5 HIBDRN COc1c(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000475460512 890372162 /nfs/dbraw/zinc/37/21/62/890372162.db2.gz GWPHKOHFFZFAGX-UHFFFAOYSA-N 0 0 417.849 4.135 20 5 HIBDRN COc1c(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cccc1[N+](=O)[O-] ZINC000475462983 890373693 /nfs/dbraw/zinc/37/36/93/890373693.db2.gz HXLPMSSAFTXPLF-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN O=[N+]([O-])c1ccccc1/C=C\CNc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 ZINC000475492710 890399452 /nfs/dbraw/zinc/39/94/52/890399452.db2.gz MAKNCYQNWUBNRR-POHAHGRESA-N 0 0 424.482 4.057 20 5 HIBDRN CSc1ccc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000475494211 890402126 /nfs/dbraw/zinc/40/21/26/890402126.db2.gz AIWFNTCPSRZJRQ-UHFFFAOYSA-N 0 0 400.500 4.264 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000504715313 913449788 /nfs/dbraw/zinc/44/97/88/913449788.db2.gz JQOODBMYYLEOPL-UHFFFAOYSA-N 0 0 402.450 4.446 20 5 HIBDRN COc1c(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000475522611 890445604 /nfs/dbraw/zinc/44/56/04/890445604.db2.gz PNBKZZDQSWNECA-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN COc1c(C(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000475530346 890453646 /nfs/dbraw/zinc/45/36/46/890453646.db2.gz NFIXOXKPTWSSNI-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN COc1ccccc1-c1noc([C@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000475555556 890482125 /nfs/dbraw/zinc/48/21/25/890482125.db2.gz QNAFYYIJFDYHQU-ZDUSSCGKSA-N 0 0 411.418 4.153 20 5 HIBDRN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccccc2)cn1 ZINC000475560326 890489099 /nfs/dbraw/zinc/48/90/99/890489099.db2.gz UEXCSAXDPYFFDH-OAHLLOKOSA-N 0 0 419.441 4.071 20 5 HIBDRN COc1ccc(CN(C)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1OC(F)F ZINC000475561539 890490577 /nfs/dbraw/zinc/49/05/77/890490577.db2.gz YYNPNTNKMLHTBQ-UHFFFAOYSA-N 0 0 409.389 4.486 20 5 HIBDRN COc1ccccc1COC1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000475566158 890496168 /nfs/dbraw/zinc/49/61/68/890496168.db2.gz RTCOFDNCNIJLET-UHFFFAOYSA-N 0 0 413.474 4.433 20 5 HIBDRN Cc1c(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cccc1N1C(=O)CNC1=O ZINC000475567468 890498159 /nfs/dbraw/zinc/49/81/59/890498159.db2.gz ROIMTWZDATVTOT-UHFFFAOYSA-N 0 0 422.466 4.300 20 5 HIBDRN CC1(C)CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475632914 890574502 /nfs/dbraw/zinc/57/45/02/890574502.db2.gz FEBHZGHUTDKOLO-QFIPXVFZSA-N 0 0 416.449 4.296 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000475640366 890582525 /nfs/dbraw/zinc/58/25/25/890582525.db2.gz QWOXBDZCMJAERV-UHFFFAOYSA-N 0 0 419.441 4.181 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000475727098 890665442 /nfs/dbraw/zinc/66/54/42/890665442.db2.gz CLPVCNWOOWZSFF-UHFFFAOYSA-N 0 0 420.853 4.024 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cc3cccc(F)c3o2)cc1OC ZINC000475760406 890707011 /nfs/dbraw/zinc/70/70/11/890707011.db2.gz OCWJFDBLZFDHRN-NSHDSACASA-N 0 0 402.378 4.378 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ncnn1C ZINC000475772418 890716929 /nfs/dbraw/zinc/71/69/29/890716929.db2.gz ZUBYRQGECYKHHC-NSHDSACASA-N 0 0 417.878 4.019 20 5 HIBDRN C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000475799262 890735947 /nfs/dbraw/zinc/73/59/47/890735947.db2.gz QLXCHAQUMJMDOZ-GFCCVEGCSA-N 0 0 408.389 4.372 20 5 HIBDRN COCCOc1cccc(CCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000475806992 890741422 /nfs/dbraw/zinc/74/14/22/890741422.db2.gz BKPPZDDOIICNKG-UHFFFAOYSA-N 0 0 412.364 4.210 20 5 HIBDRN C[C@H](c1cnn(C)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000475822056 890756624 /nfs/dbraw/zinc/75/66/24/890756624.db2.gz RDPVJZUYLPXOCG-CQSZACIVSA-N 0 0 402.520 4.444 20 5 HIBDRN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cc1 ZINC000475896516 890827701 /nfs/dbraw/zinc/82/77/01/890827701.db2.gz CLXPWRWASULWHF-GOSISDBHSA-N 0 0 417.893 4.071 20 5 HIBDRN C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000475895757 890827776 /nfs/dbraw/zinc/82/77/76/890827776.db2.gz DFUANDUEOFWWSD-INIZCTEOSA-N 0 0 405.458 4.129 20 5 HIBDRN C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000475927406 890853331 /nfs/dbraw/zinc/85/33/31/890853331.db2.gz QONLAPPDQKKXTB-INIZCTEOSA-N 0 0 405.458 4.129 20 5 HIBDRN O=C(Cc1cccc(Br)c1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000475984978 890901601 /nfs/dbraw/zinc/90/16/01/890901601.db2.gz LWKGFSOAXLVKBR-UHFFFAOYSA-N 0 0 400.232 4.033 20 5 HIBDRN CCCN1CCN(C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])c2cc(F)ccc21 ZINC000476092132 891014834 /nfs/dbraw/zinc/01/48/34/891014834.db2.gz RHNHKONWDNRKAH-UHFFFAOYSA-N 0 0 417.437 4.018 20 5 HIBDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c(C)c1 ZINC000476125340 891047299 /nfs/dbraw/zinc/04/72/99/891047299.db2.gz ADVSJRQPVCIAND-IBGZPJMESA-N 0 0 403.442 4.061 20 5 HIBDRN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000476126475 891048878 /nfs/dbraw/zinc/04/88/78/891048878.db2.gz AUVXSIOGUJZFEQ-SFTDATJTSA-N 0 0 419.485 4.282 20 5 HIBDRN Cc1cc(F)ccc1-c1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1F ZINC000476156852 891082216 /nfs/dbraw/zinc/08/22/16/891082216.db2.gz NIUHTPFGDFTACM-UHFFFAOYSA-N 0 0 409.392 4.442 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000476158735 891083335 /nfs/dbraw/zinc/08/33/35/891083335.db2.gz OHYJIYSNWWQHAR-GDLZYMKVSA-N 0 0 417.531 4.348 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(O)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000476159355 891084549 /nfs/dbraw/zinc/08/45/49/891084549.db2.gz NQZAEXADLYEHHY-UHFFFAOYSA-N 0 0 416.377 4.200 20 5 HIBDRN C[C@H](NC(=O)N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000476174269 891104995 /nfs/dbraw/zinc/10/49/95/891104995.db2.gz WHTYVYWZSCVFEX-NJSLBKSFSA-N 0 0 403.866 4.481 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000476282044 891201077 /nfs/dbraw/zinc/20/10/77/891201077.db2.gz ZOOSGWHNJJCUAG-VIFPVBQESA-N 0 0 415.755 4.024 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC(C)(C)[C@@H]3c3ccncc3)cc2)c(C)c1[N+](=O)[O-] ZINC000476320578 891228803 /nfs/dbraw/zinc/22/88/03/891228803.db2.gz KIMHXQMNGQZFDE-NRFANRHFSA-N 0 0 419.485 4.075 20 5 HIBDRN Cc1ccccc1-c1nc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000476353341 891258416 /nfs/dbraw/zinc/25/84/16/891258416.db2.gz HGRXRDRERGCFLK-UHFFFAOYSA-N 0 0 418.862 4.015 20 5 HIBDRN O=C(Nc1ccc(OCCO)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000476364623 891272485 /nfs/dbraw/zinc/27/24/85/891272485.db2.gz NHWSBVXMDDFSLI-UHFFFAOYSA-N 0 0 410.451 4.369 20 5 HIBDRN COc1c(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)cccc1[N+](=O)[O-] ZINC000476435799 891347212 /nfs/dbraw/zinc/34/72/12/891347212.db2.gz LULJJRKLTGFROU-UHFFFAOYSA-N 0 0 415.409 4.308 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CSc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000476527669 891439672 /nfs/dbraw/zinc/43/96/72/891439672.db2.gz XQDQJJVAWGTYQM-UHFFFAOYSA-N 0 0 417.447 4.137 20 5 HIBDRN Cc1c(CNC(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cccc1[N+](=O)[O-] ZINC000504836709 913558022 /nfs/dbraw/zinc/55/80/22/913558022.db2.gz ILWRWTIPUXQREW-UHFFFAOYSA-N 0 0 408.380 4.103 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000476612112 891548599 /nfs/dbraw/zinc/54/85/99/891548599.db2.gz ZSNCYFBMXGWHJI-SFHVURJKSA-N 0 0 403.504 4.023 20 5 HIBDRN CCCOc1cc(NC(=O)[C@H](C)c2c(C)nn(C)c2C)c([N+](=O)[O-])cc1OCCC ZINC000476636527 891575383 /nfs/dbraw/zinc/57/53/83/891575383.db2.gz YAOSTVVJBAOZQW-CYBMUJFWSA-N 0 0 418.494 4.265 20 5 HIBDRN COc1ccc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000476654384 891598050 /nfs/dbraw/zinc/59/80/50/891598050.db2.gz BXJLNXUKAJQLGG-UHFFFAOYSA-N 0 0 423.347 4.001 20 5 HIBDRN COc1c(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000476662277 891608955 /nfs/dbraw/zinc/60/89/55/891608955.db2.gz FGFZBCZMJQJZHQ-LLVKDONJSA-N 0 0 411.277 4.405 20 5 HIBDRN COc1ccc(NC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)c([N+](=O)[O-])c1 ZINC000476667109 891614922 /nfs/dbraw/zinc/61/49/22/891614922.db2.gz NKURFBNPGLWUMU-UHFFFAOYSA-N 0 0 422.228 4.052 20 5 HIBDRN Cc1nc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)nn1-c1c(Cl)cccc1Cl ZINC000476698309 891655068 /nfs/dbraw/zinc/65/50/68/891655068.db2.gz MFVZSIQFLGRXHO-UHFFFAOYSA-N 0 0 406.229 4.067 20 5 HIBDRN Cc1nn(CCC(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)c(C)c1[N+](=O)[O-] ZINC000504857555 913586559 /nfs/dbraw/zinc/58/65/59/913586559.db2.gz KKEIRRUIMVEHEV-UHFFFAOYSA-N 0 0 424.423 4.403 20 5 HIBDRN C[C@@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000476849921 891821414 /nfs/dbraw/zinc/82/14/14/891821414.db2.gz RATWLWCIHDALCM-XIKOKIGWSA-N 0 0 407.829 4.231 20 5 HIBDRN COc1c(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)cccc1[N+](=O)[O-] ZINC000476899443 891856509 /nfs/dbraw/zinc/85/65/09/891856509.db2.gz QNGRTIAKSDWPQB-LJQANCHMSA-N 0 0 406.442 4.361 20 5 HIBDRN CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000476937245 891879950 /nfs/dbraw/zinc/87/99/50/891879950.db2.gz CFCXZCZCXRVRQF-UHFFFAOYSA-N 0 0 403.460 4.178 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000476971063 891899236 /nfs/dbraw/zinc/89/92/36/891899236.db2.gz RNIITUJSCXVLRY-DYESRHJHSA-N 0 0 411.502 4.436 20 5 HIBDRN O=C(c1cccc(OC(F)(F)F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000476993054 891920064 /nfs/dbraw/zinc/92/00/64/891920064.db2.gz GTCVKCGXZGJWHS-UHFFFAOYSA-N 0 0 410.348 4.177 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Cc2cccc3c(Br)cccc23)cc1 ZINC000477047288 891977211 /nfs/dbraw/zinc/97/72/11/891977211.db2.gz IBGLJJGXOXBOBF-UHFFFAOYSA-N 0 0 406.257 4.484 20 5 HIBDRN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000477066614 891999386 /nfs/dbraw/zinc/99/93/86/891999386.db2.gz YSTPJWPDHHICPK-UHFFFAOYSA-N 0 0 422.338 4.428 20 5 HIBDRN COc1ccc([C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c2ccc(C)cc2)cc1 ZINC000477081981 892016378 /nfs/dbraw/zinc/01/63/78/892016378.db2.gz CPUDHPHCHAANFA-QHCPKHFHSA-N 0 0 408.429 4.499 20 5 HIBDRN CCN(C(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2OC)ccc1Cl)C(C)C ZINC000477086762 892021204 /nfs/dbraw/zinc/02/12/04/892021204.db2.gz JWJGQCSDIMIVBR-UHFFFAOYSA-N 0 0 419.865 4.380 20 5 HIBDRN COC(=O)[C@@H](Cc1ccc(C)cc1)S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000477096169 892028885 /nfs/dbraw/zinc/02/88/85/892028885.db2.gz XQGRWGVPJVRZON-DNVCBOLYSA-N 0 0 416.499 4.056 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cnn([C@@H](C)CC)c2C2CC2)cc([N+](=O)[O-])c1 ZINC000477306480 892268803 /nfs/dbraw/zinc/26/88/03/892268803.db2.gz KXVGJXSVBHLHPB-LBPRGKRZSA-N 0 0 400.435 4.069 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000477345704 892315157 /nfs/dbraw/zinc/31/51/57/892315157.db2.gz DFKYTTUJZPBQGN-BETUJISGSA-N 0 0 417.487 4.178 20 5 HIBDRN Cc1nc(COc2ccc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])cc2)no1 ZINC000477386356 892343984 /nfs/dbraw/zinc/34/39/84/892343984.db2.gz XGOXVRXWPPUQHS-UHFFFAOYSA-N 0 0 402.794 4.079 20 5 HIBDRN Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000504920870 913656029 /nfs/dbraw/zinc/65/60/29/913656029.db2.gz UEMRUYXVXFRSCZ-CQSZACIVSA-N 0 0 408.376 4.474 20 5 HIBDRN COc1ccc([C@H]2CCN(C(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)C2)cc1 ZINC000504920189 913656050 /nfs/dbraw/zinc/65/60/50/913656050.db2.gz SPGPJHCBWAZYJH-FQEVSTJZSA-N 0 0 423.513 4.469 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NCc2cccnc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000477438186 892389682 /nfs/dbraw/zinc/38/96/82/892389682.db2.gz SQANUERGQMFEHT-UHFFFAOYSA-N 0 0 411.380 4.158 20 5 HIBDRN O=C(NCc1cc(Br)ccc1OC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000504916280 913652283 /nfs/dbraw/zinc/65/22/83/913652283.db2.gz WKRCHYDKJOEVJD-UHFFFAOYSA-N 0 0 419.153 4.028 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000477471446 892450412 /nfs/dbraw/zinc/45/04/12/892450412.db2.gz OCDGIPSUPWBNBV-GOSISDBHSA-N 0 0 419.865 4.170 20 5 HIBDRN CCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000477485233 892477985 /nfs/dbraw/zinc/47/79/85/892477985.db2.gz OPNDUTBHNQKZHD-UHFFFAOYSA-N 0 0 411.380 4.477 20 5 HIBDRN Cc1cc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1C(=O)NC(C)C ZINC000477497727 892502066 /nfs/dbraw/zinc/50/20/66/892502066.db2.gz JOWMDIPOJYDMOO-UHFFFAOYSA-N 0 0 418.881 4.059 20 5 HIBDRN O=C(N[C@H]1CCCc2ccc(F)cc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000477518235 892535077 /nfs/dbraw/zinc/53/50/77/892535077.db2.gz WIDFOUDHTWKZGB-INIZCTEOSA-N 0 0 412.339 4.482 20 5 HIBDRN CCOc1cc(Br)ccc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000477556128 892602946 /nfs/dbraw/zinc/60/29/46/892602946.db2.gz WYJINWYBUYWSNN-UHFFFAOYSA-N 0 0 408.252 4.115 20 5 HIBDRN C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Cc1ccccc1[N+](=O)[O-])OCCO3 ZINC000477567868 892627553 /nfs/dbraw/zinc/62/75/53/892627553.db2.gz IXAGVIGLJBBKTG-MRXNPFEDSA-N 0 0 422.481 4.324 20 5 HIBDRN CCOc1cc(Br)ccc1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000477624105 892735844 /nfs/dbraw/zinc/73/58/44/892735844.db2.gz YEJDQNVOCUBESL-LLVKDONJSA-N 0 0 408.252 4.195 20 5 HIBDRN COCC[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccco1 ZINC000504961591 913699987 /nfs/dbraw/zinc/69/99/87/913699987.db2.gz GAVQVTOEHGDVIJ-HNAYVOBHSA-N 0 0 424.457 4.264 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 ZINC000477732866 892832053 /nfs/dbraw/zinc/83/20/53/892832053.db2.gz ZDOVCQCXLDPPKX-UHFFFAOYSA-N 0 0 419.363 4.061 20 5 HIBDRN COC(=O)c1cnc(NCc2ccnc(Oc3cccc(C)c3C)c2)c([N+](=O)[O-])c1 ZINC000477738998 892835175 /nfs/dbraw/zinc/83/51/75/892835175.db2.gz KXEXWPVRQUPNSV-UHFFFAOYSA-N 0 0 408.414 4.193 20 5 HIBDRN CN1c2cc(Br)ccc2N(C(=O)c2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000477773274 892858079 /nfs/dbraw/zinc/85/80/79/892858079.db2.gz YWKREFHVFWMJDL-UHFFFAOYSA-N 0 0 410.293 4.294 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(/C=C/c3ccc(I)o3)n2)c1 ZINC000504973739 913713741 /nfs/dbraw/zinc/71/37/41/913713741.db2.gz BGOOZOSBTUOTFC-FNORWQNLSA-N 0 0 409.139 4.013 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000477909402 892985938 /nfs/dbraw/zinc/98/59/38/892985938.db2.gz QRJMIEYOWMVQCZ-UHFFFAOYSA-N 0 0 411.336 4.141 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)c1[N+](=O)[O-] ZINC000477928090 893015216 /nfs/dbraw/zinc/01/52/16/893015216.db2.gz RBIPOYBHOQUYAR-UHFFFAOYSA-N 0 0 408.439 4.216 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc([N+](=O)[O-])c1C ZINC000478006260 893114984 /nfs/dbraw/zinc/11/49/84/893114984.db2.gz WLRXPECPLLNUPZ-NSHDSACASA-N 0 0 404.373 4.148 20 5 HIBDRN CC(C)C[C@](C)(NC(=O)CCn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000478018999 893135206 /nfs/dbraw/zinc/13/52/06/893135206.db2.gz RGICOESNDDGUQG-SFHVURJKSA-N 0 0 423.311 4.022 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(-n4cccn4)cc3)cc2[N+](=O)[O-])C1 ZINC000478041567 893177235 /nfs/dbraw/zinc/17/72/35/893177235.db2.gz PNAKFQFXFIOTIX-MRXNPFEDSA-N 0 0 405.458 4.269 20 5 HIBDRN O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000478063031 893221551 /nfs/dbraw/zinc/22/15/51/893221551.db2.gz NVEGHGCPZBQZFZ-UHFFFAOYSA-N 0 0 409.364 4.024 20 5 HIBDRN Cc1nc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)nc2c1CCCC2 ZINC000478063508 893221801 /nfs/dbraw/zinc/22/18/01/893221801.db2.gz QCSYFRVKKNDMLP-GJZGRUSLSA-N 0 0 423.517 4.307 20 5 HIBDRN O=[N+]([O-])c1ccc(N(CCO)Cc2ccc(Br)s2)cc1OC(F)F ZINC000478170931 893337520 /nfs/dbraw/zinc/33/75/20/893337520.db2.gz NTZYWNMXLSUWQJ-UHFFFAOYSA-N 0 0 423.235 4.019 20 5 HIBDRN Cn1cc(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000478251852 893426146 /nfs/dbraw/zinc/42/61/46/893426146.db2.gz NFCJSYMPGYEDKS-FUHWJXTLSA-N 0 0 408.433 4.201 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(Cl)c(Cl)cc1OC ZINC000478253938 893430220 /nfs/dbraw/zinc/43/02/20/893430220.db2.gz QCNAPYORMCKSNY-SECBINFHSA-N 0 0 414.245 4.358 20 5 HIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccccc1NCc1cccnc1 ZINC000478277100 893478754 /nfs/dbraw/zinc/47/87/54/893478754.db2.gz HIJNOANNXBBVON-UHFFFAOYSA-N 0 0 414.425 4.244 20 5 HIBDRN CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)CCC2 ZINC000478281639 893484462 /nfs/dbraw/zinc/48/44/62/893484462.db2.gz MPIJSAQNKPRFNI-MRXNPFEDSA-N 0 0 412.471 4.017 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000478293399 893506021 /nfs/dbraw/zinc/50/60/21/893506021.db2.gz QYSFOWZMHMAZMB-WMZOPIPTSA-N 0 0 418.490 4.428 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000478293397 893506532 /nfs/dbraw/zinc/50/65/32/893506532.db2.gz QYSFOWZMHMAZMB-SJLPKXTDSA-N 0 0 418.490 4.428 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(OCc2cscn2)c1 ZINC000505035823 913777451 /nfs/dbraw/zinc/77/74/51/913777451.db2.gz PPQMFKFVALBDOD-UHFFFAOYSA-N 0 0 412.471 4.461 20 5 HIBDRN O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000478329363 893561868 /nfs/dbraw/zinc/56/18/68/893561868.db2.gz LUPPKSLRFLQMOM-LBPRGKRZSA-N 0 0 413.783 4.276 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000478337870 893575606 /nfs/dbraw/zinc/57/56/06/893575606.db2.gz IWQCKCFAQQAQIG-UONOGXRCSA-N 0 0 404.488 4.278 20 5 HIBDRN Cc1c(CNC(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cccc1[N+](=O)[O-] ZINC000478401238 893684565 /nfs/dbraw/zinc/68/45/65/893684565.db2.gz SCIAFAWXZLOFKZ-GFCCVEGCSA-N 0 0 403.389 4.208 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)cccc1[N+](=O)[O-] ZINC000478414216 893703444 /nfs/dbraw/zinc/70/34/44/893703444.db2.gz FWBZTNQRZVFQSX-OAHLLOKOSA-N 0 0 422.485 4.032 20 5 HIBDRN Cc1cc(Br)cc(C)c1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000478419577 893712940 /nfs/dbraw/zinc/71/29/40/893712940.db2.gz VHHWIBDBBXKJAB-UHFFFAOYSA-N 0 0 409.305 4.383 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2cccc(Cl)c2n1C ZINC000478448764 893764208 /nfs/dbraw/zinc/76/42/08/893764208.db2.gz LZJXPLMWXAKNPJ-UHFFFAOYSA-N 0 0 404.879 4.177 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000505066222 913802786 /nfs/dbraw/zinc/80/27/86/913802786.db2.gz LKGFYBUQGDYRIT-OAQYLSRUSA-N 0 0 408.433 4.235 20 5 HIBDRN CN(CCc1cccc2ccccc21)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000505076955 913805910 /nfs/dbraw/zinc/80/59/10/913805910.db2.gz UJDULXVRAMQGPV-UHFFFAOYSA-N 0 0 400.438 4.248 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(NC(N)=O)c1 ZINC000478511538 893821392 /nfs/dbraw/zinc/82/13/92/893821392.db2.gz BCXMETHHOYOWSJ-UHFFFAOYSA-N 0 0 406.439 4.369 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000478514749 893822910 /nfs/dbraw/zinc/82/29/10/893822910.db2.gz HVTQEBPQTXIQEM-ZDUSSCGKSA-N 0 0 414.849 4.064 20 5 HIBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000478531813 893834490 /nfs/dbraw/zinc/83/44/90/893834490.db2.gz XVKUAFLSBDTQNE-UHFFFAOYSA-N 0 0 419.466 4.381 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N[C@@H](C)c3nnc4n3CCC4)cc2[N+](=O)[O-])cc1 ZINC000478590273 893863071 /nfs/dbraw/zinc/86/30/71/893863071.db2.gz PFWPZJMSMQAYJG-AWEZNQCLSA-N 0 0 423.498 4.083 20 5 HIBDRN O=c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cn1Cc1ccccc1Cl ZINC000505093376 913813165 /nfs/dbraw/zinc/81/31/65/913813165.db2.gz GRVJFBBPFYIHAE-UHFFFAOYSA-N 0 0 408.801 4.175 20 5 HIBDRN COc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(OC)c(C)c1OC ZINC000478616841 893878148 /nfs/dbraw/zinc/87/81/48/893878148.db2.gz SSHNXVDCNZGKSO-LBPRGKRZSA-N 0 0 406.460 4.048 20 5 HIBDRN COc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(OC)c(C)c1OC ZINC000478620219 893879600 /nfs/dbraw/zinc/87/96/00/893879600.db2.gz MXWWTFYRQUCNCY-UHFFFAOYSA-N 0 0 418.449 4.268 20 5 HIBDRN Cn1cc(C(=O)Nc2cc(C3CCCCC3)nn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000478679427 893931229 /nfs/dbraw/zinc/93/12/29/893931229.db2.gz XNKUPDSEAOTYFP-UHFFFAOYSA-N 0 0 408.462 4.029 20 5 HIBDRN Cc1c(CS(=O)(=O)Cc2nc(-c3c(F)cccc3F)cs2)cccc1[N+](=O)[O-] ZINC000478724396 893997579 /nfs/dbraw/zinc/99/75/79/893997579.db2.gz RLDIQFKGHINILF-UHFFFAOYSA-N 0 0 424.450 4.420 20 5 HIBDRN Cn1nc(C2CCCCC2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000478789224 894065880 /nfs/dbraw/zinc/06/58/80/894065880.db2.gz XPSJUEGUOZGSLJ-UHFFFAOYSA-N 0 0 421.295 4.320 20 5 HIBDRN C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000478796157 894070463 /nfs/dbraw/zinc/07/04/63/894070463.db2.gz JOQKQAMYDNFTRA-LLVKDONJSA-N 0 0 410.243 4.399 20 5 HIBDRN COc1cc(COc2ccccc2-c2ccnn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000478811049 894085184 /nfs/dbraw/zinc/08/51/84/894085184.db2.gz HYWJZYJZVFUGNJ-UHFFFAOYSA-N 0 0 419.384 4.227 20 5 HIBDRN COc1ccccc1C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000478866702 894146285 /nfs/dbraw/zinc/14/62/85/894146285.db2.gz CYAZNMVPQTWMIG-PBHICJAKSA-N 0 0 418.877 4.258 20 5 HIBDRN Cc1cc(OCc2noc(Cc3ccc(Br)cc3)n2)c(F)cc1[N+](=O)[O-] ZINC000478883244 894162968 /nfs/dbraw/zinc/16/29/68/894162968.db2.gz KDJZNJYFMRHDOD-UHFFFAOYSA-N 0 0 422.210 4.358 20 5 HIBDRN Cc1c(CNC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000478922236 894202795 /nfs/dbraw/zinc/20/27/95/894202795.db2.gz DOOINSQYCURYBR-UHFFFAOYSA-N 0 0 410.474 4.031 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cccc1[N+](=O)[O-] ZINC000478928117 894209172 /nfs/dbraw/zinc/20/91/72/894209172.db2.gz PUVCCACKYOJGPH-KRWDZBQOSA-N 0 0 420.469 4.438 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC000478938498 894219975 /nfs/dbraw/zinc/21/99/75/894219975.db2.gz KGJPFZRCZRRVRE-INIZCTEOSA-N 0 0 423.494 4.366 20 5 HIBDRN Cc1nc(CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)c2ccc(F)cc2)cs1 ZINC000479044699 894305072 /nfs/dbraw/zinc/30/50/72/894305072.db2.gz TYMMDJLVMBWYAJ-UHFFFAOYSA-N 0 0 403.410 4.414 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000505167861 913857312 /nfs/dbraw/zinc/85/73/12/913857312.db2.gz NREJEBDULRZFBY-NRFANRHFSA-N 0 0 404.422 4.281 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000479169232 894439154 /nfs/dbraw/zinc/43/91/54/894439154.db2.gz WICQMJOGNZBCPU-FQEVSTJZSA-N 0 0 405.454 4.086 20 5 HIBDRN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000505188654 913871493 /nfs/dbraw/zinc/87/14/93/913871493.db2.gz DYULOJLTOZBJHT-UHFFFAOYSA-N 0 0 404.854 4.007 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000479250363 894514374 /nfs/dbraw/zinc/51/43/74/894514374.db2.gz RSKKSVOQVJLCGZ-HNNXBMFYSA-N 0 0 418.291 4.081 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000479271079 894544255 /nfs/dbraw/zinc/54/42/55/894544255.db2.gz OPRBIKIWKKRHTO-KPZWWZAWSA-N 0 0 424.881 4.468 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cc(Br)ccc1N1CCCC1 ZINC000479278035 894554695 /nfs/dbraw/zinc/55/46/95/894554695.db2.gz FJCJZTNLLXKMLA-UHFFFAOYSA-N 0 0 419.279 4.279 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000479277632 894554712 /nfs/dbraw/zinc/55/47/12/894554712.db2.gz ZTGWJEMIPCDZSG-IBGZPJMESA-N 0 0 421.856 4.180 20 5 HIBDRN CC(C)CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCc2cccnc21 ZINC000479356275 894652593 /nfs/dbraw/zinc/65/25/93/894652593.db2.gz HQGYWJYQMBJDNQ-OAQYLSRUSA-N 0 0 419.485 4.351 20 5 HIBDRN COc1cc(C(=O)N(CCc2cccc(F)c2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000505218523 913889778 /nfs/dbraw/zinc/88/97/78/913889778.db2.gz VTESTBKAMXSADI-UHFFFAOYSA-N 0 0 424.375 4.191 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000479363165 894662535 /nfs/dbraw/zinc/66/25/35/894662535.db2.gz UPHGUSIUFOUQCI-CYBMUJFWSA-N 0 0 404.385 4.072 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000479373221 894674785 /nfs/dbraw/zinc/67/47/85/894674785.db2.gz UDZKFPDXBYJAHT-UHFFFAOYSA-N 0 0 417.473 4.039 20 5 HIBDRN CC(C)c1nn(C)c2sc(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc12 ZINC000479374554 894676633 /nfs/dbraw/zinc/67/66/33/894676633.db2.gz CBZAKJVRYHAETB-UHFFFAOYSA-N 0 0 406.895 4.292 20 5 HIBDRN CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H]2CC)cc([N+](=O)[O-])c1 ZINC000479415138 894723278 /nfs/dbraw/zinc/72/32/78/894723278.db2.gz CPNDKSOAMOMSIY-IONDEXAJSA-N 0 0 401.507 4.116 20 5 HIBDRN O=C(NCCCOc1ccc(C(F)(F)F)cn1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479572343 894865929 /nfs/dbraw/zinc/86/59/29/894865929.db2.gz DFJOOKHFEWMYKS-UHFFFAOYSA-N 0 0 418.759 4.253 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000479614424 894885444 /nfs/dbraw/zinc/88/54/44/894885444.db2.gz CLQAMKQNCUHFON-LBPRGKRZSA-N 0 0 424.423 4.265 20 5 HIBDRN Cc1nc([C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c2ccc(Cl)cc2)no1 ZINC000479626536 894893099 /nfs/dbraw/zinc/89/30/99/894893099.db2.gz YCICRZAKRHKRAX-KRWDZBQOSA-N 0 0 415.837 4.468 20 5 HIBDRN COc1cc(C(=O)Nc2c(C)cc(Br)cc2OC)cc([N+](=O)[O-])c1C ZINC000479628546 894895888 /nfs/dbraw/zinc/89/58/88/894895888.db2.gz XQEYQFIGQWJSQB-UHFFFAOYSA-N 0 0 409.236 4.244 20 5 HIBDRN COc1cc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc([N+](=O)[O-])c1C ZINC000479643492 894912374 /nfs/dbraw/zinc/91/23/74/894912374.db2.gz KOQZLBIQVGYVAF-UHFFFAOYSA-N 0 0 422.485 4.295 20 5 HIBDRN COc1ccc(CNC(=O)c2cnn(-c3ccccc3C)c2C(C)C)cc1[N+](=O)[O-] ZINC000479651472 894922792 /nfs/dbraw/zinc/92/27/92/894922792.db2.gz ISZIDFOMHZLODK-UHFFFAOYSA-N 0 0 408.458 4.151 20 5 HIBDRN COc1cc(CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F ZINC000479667965 894945054 /nfs/dbraw/zinc/94/50/54/894945054.db2.gz SIEQNVIHQGWZKH-UHFFFAOYSA-N 0 0 406.385 4.318 20 5 HIBDRN O=C(Nc1cccc(OCc2ccccn2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479688598 894975401 /nfs/dbraw/zinc/97/54/01/894975401.db2.gz JQMNIZAJCJWKBX-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)on1 ZINC000479726420 895024748 /nfs/dbraw/zinc/02/47/48/895024748.db2.gz HXUSRCSEDUWICR-UHFFFAOYSA-N 0 0 417.421 4.271 20 5 HIBDRN O=C(Nc1cccc(OCc2cccnc2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479748033 895047323 /nfs/dbraw/zinc/04/73/23/895047323.db2.gz RIVHSMGMZBSTER-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCc3cc(=O)[nH]c4ccccc34)cc2[N+](=O)[O-])C1 ZINC000479777168 895079597 /nfs/dbraw/zinc/07/95/97/895079597.db2.gz NVONXWPBFDTOLX-HNNXBMFYSA-N 0 0 420.469 4.015 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)cc([N+](=O)[O-])c1C ZINC000479826186 895145755 /nfs/dbraw/zinc/14/57/55/895145755.db2.gz APYLEZUHWLFRNH-UHFFFAOYSA-N 0 0 420.425 4.120 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000479854511 895189018 /nfs/dbraw/zinc/18/90/18/895189018.db2.gz VXKGUNBMIUMZKF-UHFFFAOYSA-N 0 0 409.339 4.382 20 5 HIBDRN O=C(CN[C@H](c1nccs1)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479858790 895194381 /nfs/dbraw/zinc/19/43/81/895194381.db2.gz DIAIUUGHHQNDLE-KRWDZBQOSA-N 0 0 402.863 4.022 20 5 HIBDRN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000479861006 895196425 /nfs/dbraw/zinc/19/64/25/895196425.db2.gz XLLLUNLEWAISCX-UHFFFAOYSA-N 0 0 412.471 4.069 20 5 HIBDRN O=C(Nc1nc(CN2CCCCC2)cs1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000479892273 895238672 /nfs/dbraw/zinc/23/86/72/895238672.db2.gz XTGRZJFSAIMVGE-UHFFFAOYSA-N 0 0 415.519 4.234 20 5 HIBDRN CCCN(C[C@H]1CCCCO1)C(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-] ZINC000479944994 895298526 /nfs/dbraw/zinc/29/85/26/895298526.db2.gz YZRXSSWKHOBXOJ-OAHLLOKOSA-N 0 0 409.483 4.205 20 5 HIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000505296609 913954888 /nfs/dbraw/zinc/95/48/88/913954888.db2.gz XBIHWGQSTKICOK-LJQANCHMSA-N 0 0 417.425 4.494 20 5 HIBDRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000479977349 895330843 /nfs/dbraw/zinc/33/08/43/895330843.db2.gz IHHOOEDTRWWQLN-UHFFFAOYSA-N 0 0 424.497 4.294 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNCc3cccnc3OCC(F)F)cs2)c1 ZINC000479985482 895338402 /nfs/dbraw/zinc/33/84/02/895338402.db2.gz UMSKIYSACZXLLR-UHFFFAOYSA-N 0 0 406.414 4.047 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480025588 895374072 /nfs/dbraw/zinc/37/40/72/895374072.db2.gz YXCMFTCTHAGCRS-LLVKDONJSA-N 0 0 412.343 4.153 20 5 HIBDRN COc1cc(OCC(=O)Nc2ccc(CNc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000480030890 895380580 /nfs/dbraw/zinc/38/05/80/895380580.db2.gz LHCIWOGCOGOSML-UHFFFAOYSA-N 0 0 407.426 4.233 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(CNc3ccccc3)cc2)cc([N+](=O)[O-])c1OC ZINC000480034289 895383001 /nfs/dbraw/zinc/38/30/01/895383001.db2.gz CGKDBRUKTXRMCK-UHFFFAOYSA-N 0 0 407.426 4.476 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@H](C)CO1 ZINC000480041584 895390661 /nfs/dbraw/zinc/39/06/61/895390661.db2.gz HLADURNXXWMYHK-VGSWGCGISA-N 0 0 409.486 4.106 20 5 HIBDRN Cc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccco1 ZINC000480054531 895402465 /nfs/dbraw/zinc/40/24/65/895402465.db2.gz PJHHOBTVBQIGQR-UHFFFAOYSA-N 0 0 408.414 4.379 20 5 HIBDRN Cc1c(CNC(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000480059894 895406292 /nfs/dbraw/zinc/40/62/92/895406292.db2.gz NLMMJFHIDWVFCH-GOSISDBHSA-N 0 0 423.391 4.205 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)c(C(F)(F)F)c1 ZINC000480058748 895407445 /nfs/dbraw/zinc/40/74/45/895407445.db2.gz LGTQMJHIKYLGJW-UHFFFAOYSA-N 0 0 410.352 4.202 20 5 HIBDRN Cc1c(CNC(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000480066967 895415350 /nfs/dbraw/zinc/41/53/50/895415350.db2.gz FZRQHMVHNDAOAB-SFHVURJKSA-N 0 0 423.391 4.205 20 5 HIBDRN CCC(=O)c1ccc(N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c([N+](=O)[O-])c1 ZINC000480067597 895417724 /nfs/dbraw/zinc/41/77/24/895417724.db2.gz GMEDNIJEKFPJRP-RTWAWAEBSA-N 0 0 417.893 4.325 20 5 HIBDRN Cc1c(CNC(=O)NC2(c3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] ZINC000480072408 895424900 /nfs/dbraw/zinc/42/49/00/895424900.db2.gz SZKOYGIEGRDAFG-UHFFFAOYSA-N 0 0 404.264 4.154 20 5 HIBDRN CCC(=O)c1ccc(N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c([N+](=O)[O-])c1 ZINC000480119041 895493357 /nfs/dbraw/zinc/49/33/57/895493357.db2.gz PSQYFDXFGTZVDC-INIZCTEOSA-N 0 0 409.421 4.012 20 5 HIBDRN COc1cc(C(=O)NCC(C)(C)CCCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000505318862 913981487 /nfs/dbraw/zinc/98/14/87/913981487.db2.gz WJBRLYZSINQSEE-UHFFFAOYSA-N 0 0 400.475 4.391 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(-n2cccn2)c(F)c1 ZINC000505323457 913986082 /nfs/dbraw/zinc/98/60/82/913986082.db2.gz UQGFXQWXXYDXHD-QWHCGFSZSA-N 0 0 400.385 4.040 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1Oc1ncnc2cccc(F)c21 ZINC000480307112 895710544 /nfs/dbraw/zinc/71/05/44/895710544.db2.gz CAUHALGGCSGMNH-UHFFFAOYSA-N 0 0 411.130 4.074 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCC[C@H](OCc3ccccc3F)C2)c(Br)c1 ZINC000480363432 895770046 /nfs/dbraw/zinc/77/00/46/895770046.db2.gz OSMLRGLNIONZPU-AWEZNQCLSA-N 0 0 410.243 4.077 20 5 HIBDRN CCn1c2ccccc2nc1[C@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480495164 895866266 /nfs/dbraw/zinc/86/62/66/895866266.db2.gz URJXYIZNUSVIQK-AWEZNQCLSA-N 0 0 418.457 4.102 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1csc2ccccc12 ZINC000480502295 895871122 /nfs/dbraw/zinc/87/11/22/895871122.db2.gz XTHPNQHYNZDAHX-UHFFFAOYSA-N 0 0 402.497 4.478 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000480532739 895894921 /nfs/dbraw/zinc/89/49/21/895894921.db2.gz VZTFEKZQOSTMQC-CWTRNNRKSA-N 0 0 404.850 4.167 20 5 HIBDRN COCc1c(Br)cccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000505349595 914014417 /nfs/dbraw/zinc/01/44/17/914014417.db2.gz JSNZVGONYFUFIF-UHFFFAOYSA-N 0 0 411.277 4.235 20 5 HIBDRN COC(=O)c1nc([C@@H]2CCCN2c2cc(C)nc3c2cccc3[N+](=O)[O-])sc1C ZINC000480578928 895939210 /nfs/dbraw/zinc/93/92/10/895939210.db2.gz JVQWJJKNULOGRZ-HNNXBMFYSA-N 0 0 412.471 4.344 20 5 HIBDRN CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000480590323 895952871 /nfs/dbraw/zinc/95/28/71/895952871.db2.gz YCCYLKYQRKCEOD-UHFFFAOYSA-N 0 0 424.284 4.287 20 5 HIBDRN Cc1cc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000480771148 896133383 /nfs/dbraw/zinc/13/33/83/896133383.db2.gz BEZLTCNCDOSLNM-UHFFFAOYSA-N 0 0 402.394 4.047 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000480782348 896148419 /nfs/dbraw/zinc/14/84/19/896148419.db2.gz XBVQDSAYUDXOOG-UHFFFAOYSA-N 0 0 402.394 4.047 20 5 HIBDRN CN(C[C@H](O)Cc1ccccc1)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000480816299 896188389 /nfs/dbraw/zinc/18/83/89/896188389.db2.gz LBPHMBOQYXDALM-GOSISDBHSA-N 0 0 422.506 4.422 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000480857154 896224245 /nfs/dbraw/zinc/22/42/45/896224245.db2.gz XINSXLVUSYBFMR-UHFFFAOYSA-N 0 0 416.279 4.252 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(Cc1nc2cc(Br)ccc2[nH]1)C1CC1 ZINC000480898873 896254341 /nfs/dbraw/zinc/25/43/41/896254341.db2.gz OJEIPXLBLKNFMJ-UHFFFAOYSA-N 0 0 401.264 4.398 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000505386931 914049653 /nfs/dbraw/zinc/04/96/53/914049653.db2.gz KAXDPLIYDJUMTB-QGZVFWFLSA-N 0 0 409.364 4.211 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](CSc3ccccc3)C2)c1C ZINC000480996085 896328963 /nfs/dbraw/zinc/32/89/63/896328963.db2.gz ZSJIOJKSMSQIQI-MRXNPFEDSA-N 0 0 406.529 4.015 20 5 HIBDRN COc1cccc(C(NC(=O)NCc2ccccc2[N+](=O)[O-])c2cccc(OC)c2)c1 ZINC000481018124 896347833 /nfs/dbraw/zinc/34/78/33/896347833.db2.gz DSLBTZKXJIRZNO-UHFFFAOYSA-N 0 0 421.453 4.201 20 5 HIBDRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000481169026 896504260 /nfs/dbraw/zinc/50/42/60/896504260.db2.gz IKIDCUIKVLBLLD-QHCPKHFHSA-N 0 0 422.437 4.122 20 5 HIBDRN CNC(=O)c1cc(Oc2cc(NC(=O)c3cccc(C)c3[N+](=O)[O-])ccc2C)ccn1 ZINC000481173053 896506636 /nfs/dbraw/zinc/50/66/36/896506636.db2.gz HCKUOTMNTRIDHO-UHFFFAOYSA-N 0 0 420.425 4.011 20 5 HIBDRN Cc1cc(C(=O)N2CCOc3cc(Br)c(Cl)cc32)cc([N+](=O)[O-])c1 ZINC000481214557 896568887 /nfs/dbraw/zinc/56/88/87/896568887.db2.gz LLUFITQVOPFNGV-UHFFFAOYSA-N 0 0 411.639 4.358 20 5 HIBDRN Cc1cc(C(=O)N2CCOc3cc(Br)c(Cl)cc32)ccc1[N+](=O)[O-] ZINC000481237496 896587535 /nfs/dbraw/zinc/58/75/35/896587535.db2.gz RSWUTVRNHUQFMH-UHFFFAOYSA-N 0 0 411.639 4.358 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000505419208 914083291 /nfs/dbraw/zinc/08/32/91/914083291.db2.gz CMMSJJOFYKRYCF-HNNXBMFYSA-N 0 0 408.710 4.489 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000481354573 896729209 /nfs/dbraw/zinc/72/92/09/896729209.db2.gz YFYWCNZJNOQFJR-INIZCTEOSA-N 0 0 417.334 4.361 20 5 HIBDRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000481374172 896768612 /nfs/dbraw/zinc/76/86/12/896768612.db2.gz RHYRRQBZQUNGDA-UHFFFAOYSA-N 0 0 411.487 4.166 20 5 HIBDRN C[C@H](Cn1ccnc1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000481387628 896788546 /nfs/dbraw/zinc/78/85/46/896788546.db2.gz WGAKXIQJPYBJHM-CYBMUJFWSA-N 0 0 416.890 4.414 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000481454038 896849207 /nfs/dbraw/zinc/84/92/07/896849207.db2.gz IEBCWDAVIWZLJD-AWEZNQCLSA-N 0 0 416.861 4.111 20 5 HIBDRN O=C(NCc1ccc(O)c(Br)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000481453025 896849256 /nfs/dbraw/zinc/84/92/56/896849256.db2.gz LJICMIWMYINJDN-UHFFFAOYSA-N 0 0 419.153 4.012 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C)O[C@@H](C)C2 ZINC000481502657 896875898 /nfs/dbraw/zinc/87/58/98/896875898.db2.gz QIUFYYDIFSZWIP-SOVGHPHASA-N 0 0 410.470 4.045 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000481516696 896883119 /nfs/dbraw/zinc/88/31/19/896883119.db2.gz FABKIUDSZQTMPJ-GOSISDBHSA-N 0 0 416.499 4.017 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000481545918 896908312 /nfs/dbraw/zinc/90/83/12/896908312.db2.gz RUSJYFXKQLAYJM-SGTLLEGYSA-N 0 0 402.838 4.164 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000481546813 896910097 /nfs/dbraw/zinc/91/00/97/896910097.db2.gz SKXYPCZUAQHEOM-UHFFFAOYSA-N 0 0 414.531 4.268 20 5 HIBDRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000481547057 896910376 /nfs/dbraw/zinc/91/03/76/896910376.db2.gz VNXMKECRESOOGA-UHFFFAOYSA-N 0 0 419.363 4.342 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN3CCO[C@@H](c4ccc(F)cc4Cl)C3)n2)cc1 ZINC000481567670 896946298 /nfs/dbraw/zinc/94/62/98/896946298.db2.gz CMTAERPBADREEC-QGZVFWFLSA-N 0 0 418.812 4.011 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000481574368 896953948 /nfs/dbraw/zinc/95/39/48/896953948.db2.gz OIPMGKWGSZPSKH-UHFFFAOYSA-N 0 0 406.411 4.466 20 5 HIBDRN Cc1cc(C)nc(Sc2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2)n1 ZINC000481576651 896955712 /nfs/dbraw/zinc/95/57/12/896955712.db2.gz WKNBMWWHLTUGHF-UHFFFAOYSA-N 0 0 420.454 4.281 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000481585248 896964971 /nfs/dbraw/zinc/96/49/71/896964971.db2.gz MMHSMIDGXODDNO-UHFFFAOYSA-N 0 0 417.219 4.014 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OCCC ZINC000481592662 896971865 /nfs/dbraw/zinc/97/18/65/896971865.db2.gz ALYRMUBIIYUEIS-IBGZPJMESA-N 0 0 409.483 4.061 20 5 HIBDRN COC(=O)[C@@](C)(NCc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)c(Cl)c1 ZINC000481602848 896982856 /nfs/dbraw/zinc/98/28/56/896982856.db2.gz ASCSMDNCIWNAFI-KRWDZBQOSA-N 0 0 401.221 4.219 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481614478 896996137 /nfs/dbraw/zinc/99/61/37/896996137.db2.gz LEUHIEYOPXQDNR-UHFFFAOYSA-N 0 0 402.466 4.091 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000481665402 897048097 /nfs/dbraw/zinc/04/80/97/897048097.db2.gz CVTHQQQXHIRIAR-UHFFFAOYSA-N 0 0 408.241 4.121 20 5 HIBDRN CCOc1ccc(C(=O)N(C)Cc2ccc(F)cc2Br)cc1[N+](=O)[O-] ZINC000481715786 897108066 /nfs/dbraw/zinc/10/80/66/897108066.db2.gz JJARFNWIMDLNIX-UHFFFAOYSA-N 0 0 411.227 4.167 20 5 HIBDRN CC(C)(CO)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000481727658 897121306 /nfs/dbraw/zinc/12/13/06/897121306.db2.gz VOVGJSIEEZVAEX-PTNGSMBKSA-N 0 0 411.483 4.022 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000481740727 897135325 /nfs/dbraw/zinc/13/53/25/897135325.db2.gz KYYJPPGLYLUETC-UAPYVXQJSA-N 0 0 400.453 4.356 20 5 HIBDRN COc1ccc(CSCC(=O)N(Cc2ccco2)Cc2ccco2)cc1[N+](=O)[O-] ZINC000481786537 897167144 /nfs/dbraw/zinc/16/71/44/897167144.db2.gz ZMHPHRZUMANOAC-UHFFFAOYSA-N 0 0 416.455 4.252 20 5 HIBDRN COc1ccc(-n2c(Sc3ncc(C)cc3[N+](=O)[O-])nnc2-c2ccccn2)cc1 ZINC000481838481 897206263 /nfs/dbraw/zinc/20/62/63/897206263.db2.gz QXSNQMPZLDWLFE-UHFFFAOYSA-N 0 0 420.454 4.101 20 5 HIBDRN O=[N+]([O-])c1cccnc1Sc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000481840849 897207841 /nfs/dbraw/zinc/20/78/41/897207841.db2.gz ORRFDOMEOXGPKT-UHFFFAOYSA-N 0 0 405.439 4.301 20 5 HIBDRN O=C(CCCc1ccccc1Br)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000481872598 897243536 /nfs/dbraw/zinc/24/35/36/897243536.db2.gz UXGFYSIDCRHZSZ-UHFFFAOYSA-N 0 0 403.276 4.265 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H](c1csc2ccccc21)c1cccnc1 ZINC000481872042 897243794 /nfs/dbraw/zinc/24/37/94/897243794.db2.gz HYWBPKUWWSHABQ-FQEVSTJZSA-N 0 0 421.482 4.190 20 5 HIBDRN Cc1nn(CCC(=O)NCC2(c3cccc(Cl)c3F)CCCC2)c(C)c1[N+](=O)[O-] ZINC000481895323 897273709 /nfs/dbraw/zinc/27/37/09/897273709.db2.gz OZPUEJWGQVNWLK-UHFFFAOYSA-N 0 0 422.888 4.219 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000481946491 897334830 /nfs/dbraw/zinc/33/48/30/897334830.db2.gz PNFGOLZTYMQRIS-UHFFFAOYSA-N 0 0 406.533 4.402 20 5 HIBDRN Cc1cc(C)cc(-c2nnc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)s2)c1 ZINC000481952329 897340634 /nfs/dbraw/zinc/34/06/34/897340634.db2.gz UDKLCYIUWWPOIX-UHFFFAOYSA-N 0 0 409.471 4.320 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2OC(F)(F)F)cc1SC ZINC000481954094 897342339 /nfs/dbraw/zinc/34/23/39/897342339.db2.gz UNWDVKSXYNUIFK-UHFFFAOYSA-N 0 0 402.350 4.476 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000481966293 897356449 /nfs/dbraw/zinc/35/64/49/897356449.db2.gz VYTRZRVBIDSLLL-HHHXNRCGSA-N 0 0 424.544 4.060 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1SC ZINC000481967347 897357955 /nfs/dbraw/zinc/35/79/55/897357955.db2.gz NYZZMJIEXQTQRE-UHFFFAOYSA-N 0 0 403.460 4.172 20 5 HIBDRN COCc1ccc(CNC(=O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000481970356 897361501 /nfs/dbraw/zinc/36/15/01/897361501.db2.gz FNOYPBUTVRWKAX-UHFFFAOYSA-N 0 0 420.465 4.027 20 5 HIBDRN COc1ccc(CN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000481992993 897388681 /nfs/dbraw/zinc/38/86/81/897388681.db2.gz PRSQYZHVEZORIV-UHFFFAOYSA-N 0 0 402.472 4.139 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1SC ZINC000482001345 897397157 /nfs/dbraw/zinc/39/71/57/897397157.db2.gz XFSSDLZJZFEPMV-UHFFFAOYSA-N 0 0 416.434 4.211 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000482015187 897416762 /nfs/dbraw/zinc/41/67/62/897416762.db2.gz LBGJQHUSJLZSPP-UHFFFAOYSA-N 0 0 423.878 4.197 20 5 HIBDRN CCc1ccc([C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CCO2)cc1 ZINC000482046443 897468896 /nfs/dbraw/zinc/46/88/96/897468896.db2.gz UJFAAPCQNBIQIF-FQEVSTJZSA-N 0 0 423.494 4.494 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2)CCC1 ZINC000482049390 897474316 /nfs/dbraw/zinc/47/43/16/897474316.db2.gz ASYGNENDHBYURB-UHFFFAOYSA-N 0 0 400.500 4.185 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@](C)(CO)c1ccc(Br)cc1 ZINC000482132195 897591080 /nfs/dbraw/zinc/59/10/80/897591080.db2.gz QFEJGHTZOSMMRA-SFHVURJKSA-N 0 0 422.279 4.003 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC[C@H](C(F)(F)F)[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000482177320 897646061 /nfs/dbraw/zinc/64/60/61/897646061.db2.gz MLFQBVKPPZLUIH-DYVFJYSZSA-N 0 0 424.423 4.259 20 5 HIBDRN CCCn1c2ccccc2nc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000482187111 897657792 /nfs/dbraw/zinc/65/77/92/897657792.db2.gz 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HIBDRN COc1ccc(OC(F)F)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000482237755 897719969 /nfs/dbraw/zinc/71/99/69/897719969.db2.gz BXEACKIUKWHTHV-UHFFFAOYSA-N 0 0 421.400 4.060 20 5 HIBDRN CCN(CC)C(=O)COc1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1Cl ZINC000482265897 897751222 /nfs/dbraw/zinc/75/12/22/897751222.db2.gz IMNDCZAFYJCYDC-UHFFFAOYSA-N 0 0 419.865 4.056 20 5 HIBDRN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000482369259 897890053 /nfs/dbraw/zinc/89/00/53/897890053.db2.gz WQJLWXKQCYXMJA-UHFFFAOYSA-N 0 0 424.500 4.433 20 5 HIBDRN C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCCOC2)O1 ZINC000482454489 898022273 /nfs/dbraw/zinc/02/22/73/898022273.db2.gz FAHLRILSJSMHSY-XOBRGWDASA-N 0 0 406.866 4.278 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4)cc2[N+](=O)[O-])C1 ZINC000482471066 898046228 /nfs/dbraw/zinc/04/62/28/898046228.db2.gz AGLLDMYNRTWWGI-GASCZTMLSA-N 0 0 422.485 4.214 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cccc(Br)c2)cn1 ZINC000482528637 898116675 /nfs/dbraw/zinc/11/66/75/898116675.db2.gz WQJWDEJSEXEXAC-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN CCC[C@H](C)C(=O)NCCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000482570978 898165894 /nfs/dbraw/zinc/16/58/94/898165894.db2.gz ALFYYPVTXBOUPE-HNNXBMFYSA-N 0 0 415.515 4.028 20 5 HIBDRN CCS[C@@H](C)c1noc(CN(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000482592082 898190667 /nfs/dbraw/zinc/19/06/67/898190667.db2.gz JIAZKHRLPVBZHH-OLZOCXBDSA-N 0 0 407.496 4.003 20 5 HIBDRN O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000482614058 898215465 /nfs/dbraw/zinc/21/54/65/898215465.db2.gz FRMBPXABRYJRFD-UHFFFAOYSA-N 0 0 417.469 4.323 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CN(CCc3ccccn3)Cc3ccc(F)cc3)nc2c1 ZINC000482693210 898292749 /nfs/dbraw/zinc/29/27/49/898292749.db2.gz UIGUJFVXLBVZCE-UHFFFAOYSA-N 0 0 405.433 4.250 20 5 HIBDRN C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000482696231 898296492 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COC(=O)c1cc(C(C)(C)C)sc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000483027079 898688387 /nfs/dbraw/zinc/68/83/87/898688387.db2.gz VWAZUNDNIZJGCZ-UHFFFAOYSA-N 0 0 406.460 4.148 20 5 HIBDRN C[C@H]1CN(c2ccccc2NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000483044502 898713936 /nfs/dbraw/zinc/71/39/36/898713936.db2.gz TXYTULBHVUVMSS-IRXDYDNUSA-N 0 0 424.501 4.405 20 5 HIBDRN CC(C)n1cc2c(n1)C[C@H](NC(=O)c1ccc(Nc3ccccc3)c([N+](=O)[O-])c1)CC2 ZINC000483068194 898747143 /nfs/dbraw/zinc/74/71/43/898747143.db2.gz BEVQCDDLZSTEEW-LJQANCHMSA-N 0 0 419.485 4.403 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000483123256 898809755 /nfs/dbraw/zinc/80/97/55/898809755.db2.gz UJFAVIYHWATOLW-UHFFFAOYSA-N 0 0 404.473 4.127 20 5 HIBDRN COc1cc(CN[C@@H](C)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505579716 914287262 /nfs/dbraw/zinc/28/72/62/914287262.db2.gz AKBSPIWFDYZVQW-LBPRGKRZSA-N 0 0 423.416 4.057 20 5 HIBDRN Cc1sc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 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ZINC000483809909 899487492 /nfs/dbraw/zinc/48/74/92/899487492.db2.gz SEQNVQMRZJQNRP-UHFFFAOYSA-N 0 0 413.499 4.193 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc4c(c3)CCCC(=O)N4)cc2[N+](=O)[O-])C1 ZINC000483871018 899550532 /nfs/dbraw/zinc/55/05/32/899550532.db2.gz UQNXLRPNTWVHIO-HNNXBMFYSA-N 0 0 422.485 4.358 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)Cc1ccoc1 ZINC000483925331 899588181 /nfs/dbraw/zinc/58/81/81/899588181.db2.gz ICHYFOLLEBGFSB-UHFFFAOYSA-N 0 0 400.412 4.274 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)c2cccc(OC(F)(F)F)c2)cc1OC ZINC000483999589 899638478 /nfs/dbraw/zinc/63/84/78/899638478.db2.gz ADHRAESRTWUTHQ-UHFFFAOYSA-N 0 0 414.336 4.177 20 5 HIBDRN Cc1nc(-c2ccccc2NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000484025839 899659722 /nfs/dbraw/zinc/65/97/22/899659722.db2.gz MICPSHXCVYEJGV-CYBMUJFWSA-N 0 0 424.482 4.151 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000484054936 899688135 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JBIUUJMNMPRPPU-UHFFFAOYSA-N 0 0 411.458 4.355 20 5 HIBDRN Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cc2)cs1 ZINC000484861310 900252476 /nfs/dbraw/zinc/25/24/76/900252476.db2.gz GDYYMYXQZJQERY-LLVKDONJSA-N 0 0 411.439 4.246 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](c3ccccc3F)C2)cc1OC ZINC000484874322 900261929 /nfs/dbraw/zinc/26/19/29/900261929.db2.gz OFIFVDOTTSELMT-UONOGXRCSA-N 0 0 402.422 4.207 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCCO[C@H](C)c2ccccc2)cc1SC ZINC000484908111 900285922 /nfs/dbraw/zinc/28/59/22/900285922.db2.gz UBDMSCFUUFOETF-CQSZACIVSA-N 0 0 404.488 4.223 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000484938049 900309845 /nfs/dbraw/zinc/30/98/45/900309845.db2.gz PVEXCMJEXGRCQD-QFIPXVFZSA-N 0 0 420.421 4.306 20 5 HIBDRN C[C@@]1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])OCCc2sccc21 ZINC000484963028 900325782 /nfs/dbraw/zinc/32/57/82/900325782.db2.gz NJYCIRFJHQHPGP-KRWDZBQOSA-N 0 0 412.920 4.006 20 5 HIBDRN CN(Cc1ccccc1Br)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485072380 900393314 /nfs/dbraw/zinc/39/33/14/900393314.db2.gz XPDNSCWNNMDQKU-UHFFFAOYSA-N 0 0 415.190 4.231 20 5 HIBDRN CN(Cc1ccccc1N1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485094367 900406468 /nfs/dbraw/zinc/40/64/68/900406468.db2.gz GJVWBXDFIDSBRG-UHFFFAOYSA-N 0 0 405.401 4.069 20 5 HIBDRN CCOc1cc(Br)c(F)cc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000485155396 900454574 /nfs/dbraw/zinc/45/45/74/900454574.db2.gz XGVQISOOIYXLLH-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000485172326 900470510 /nfs/dbraw/zinc/47/05/10/900470510.db2.gz JVMLZAPWAPYUJP-UHFFFAOYSA-N 0 0 406.479 4.180 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000485252827 900538187 /nfs/dbraw/zinc/53/81/87/900538187.db2.gz CVSNACXAAMDKBP-UHFFFAOYSA-N 0 0 417.516 4.452 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1OCCC(F)(F)F ZINC000505788574 914454032 /nfs/dbraw/zinc/45/40/32/914454032.db2.gz HUQZJPWGTWAKFD-UHFFFAOYSA-N 0 0 415.343 4.429 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000505788991 914454298 /nfs/dbraw/zinc/45/42/98/914454298.db2.gz ZBRGCALYVUBXHJ-KSSFIOAISA-N 0 0 402.413 4.122 20 5 HIBDRN CCn1c(SCC(=O)c2c[nH]c3ncccc23)nc2cc3ccccc3cc2c1=O ZINC000485346109 900638363 /nfs/dbraw/zinc/63/83/63/900638363.db2.gz MGBFOPIDCMFQTL-UHFFFAOYSA-N 0 0 414.490 4.421 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000485355870 900650092 /nfs/dbraw/zinc/65/00/92/900650092.db2.gz IEXPUOLVXRIUKK-ZDUSSCGKSA-N 0 0 404.419 4.373 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)c1[N+](=O)[O-] ZINC000485368283 900664938 /nfs/dbraw/zinc/66/49/38/900664938.db2.gz OLGVLOLVJHXIPO-UHFFFAOYSA-N 0 0 408.418 4.085 20 5 HIBDRN O=[N+]([O-])c1ccc(NCCCc2nnc3n2CCCCC3)nc1-c1ccc(F)cc1 ZINC000485396935 900694606 /nfs/dbraw/zinc/69/46/06/900694606.db2.gz OUFNQDUKCWAZQI-UHFFFAOYSA-N 0 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ZINC000485498043 900786893 /nfs/dbraw/zinc/78/68/93/900786893.db2.gz YRBDCZWXJVCLSC-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000485513611 900798956 /nfs/dbraw/zinc/79/89/56/900798956.db2.gz BXUDSJTYXSNSLE-CQSZACIVSA-N 0 0 412.776 4.143 20 5 HIBDRN CC(=O)NCc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 ZINC000485543856 900819963 /nfs/dbraw/zinc/81/99/63/900819963.db2.gz KHTOIAZYTGVRGR-UHFFFAOYSA-N 0 0 419.437 4.062 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(c2c(F)cccc2F)CC1 ZINC000485552140 900826971 /nfs/dbraw/zinc/82/69/71/900826971.db2.gz NNEICHVHMFFREC-UHFFFAOYSA-N 0 0 412.339 4.494 20 5 HIBDRN O=C(NCc1ccc(Br)c(F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485564076 900835530 /nfs/dbraw/zinc/83/55/30/900835530.db2.gz ALCDODCMEKCSAI-UHFFFAOYSA-N 0 0 422.254 4.371 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccnc1OCc1ccccc1F ZINC000485578556 900844988 /nfs/dbraw/zinc/84/49/88/900844988.db2.gz MZDGTAJAXQWOOB-AWEZNQCLSA-N 0 0 407.401 4.299 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC ZINC000485589978 900852214 /nfs/dbraw/zinc/85/22/14/900852214.db2.gz HTSNVGKRQVHSLP-HNNXBMFYSA-N 0 0 413.474 4.356 20 5 HIBDRN COc1cc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000485654279 900905922 /nfs/dbraw/zinc/90/59/22/900905922.db2.gz IJVWEOBUUHABJB-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN COc1cc(OCC(=O)Nc2c3ccccc3nc(C)c2C(C)C)ccc1[N+](=O)[O-] ZINC000485665514 900915972 /nfs/dbraw/zinc/91/59/72/900915972.db2.gz GHZUEJHGOZOITG-UHFFFAOYSA-N 0 0 409.442 4.023 20 5 HIBDRN Cc1cc(Br)cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000485669866 900919645 /nfs/dbraw/zinc/91/96/45/900919645.db2.gz GPPFFNUGMLFDTB-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2ccsc2)CC1 ZINC000485694138 900943564 /nfs/dbraw/zinc/94/35/64/900943564.db2.gz PHTYVSBXLGDYFH-UHFFFAOYSA-N 0 0 409.305 4.368 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCN(C2CC2)c2ccccc21 ZINC000485698834 900948475 /nfs/dbraw/zinc/94/84/75/900948475.db2.gz YMXLJQHECMLSSD-UHFFFAOYSA-N 0 0 408.277 4.048 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCO[C@@H](COCC3CC3)C2)ccc1Oc1ccc(F)cc1 ZINC000485705059 900954137 /nfs/dbraw/zinc/95/41/37/900954137.db2.gz NPUZKIPWGNCSTI-HXUWFJFHSA-N 0 0 416.449 4.154 20 5 HIBDRN CCCc1nc(C)c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 ZINC000485710277 900958653 /nfs/dbraw/zinc/95/86/53/900958653.db2.gz HENFUWGYYDCVMO-UHFFFAOYSA-N 0 0 401.391 4.175 20 5 HIBDRN COc1cc(C(=O)NCC(C)(C)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000485723941 900974075 /nfs/dbraw/zinc/97/40/75/900974075.db2.gz QCNOFFVULTVXNW-UHFFFAOYSA-N 0 0 408.401 4.221 20 5 HIBDRN C[C@H](C(=O)NC(C)(C)C)N(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000485725822 900977079 /nfs/dbraw/zinc/97/70/79/900977079.db2.gz PTQJOROBEIMWAH-CQSZACIVSA-N 0 0 403.454 4.261 20 5 HIBDRN COC(=O)Cc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000485732837 900985772 /nfs/dbraw/zinc/98/57/72/900985772.db2.gz KYPCVOVQBCSQAC-UHFFFAOYSA-N 0 0 420.421 4.142 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)c(F)cc2Br)cc([N+](=O)[O-])c1C ZINC000485737981 900991648 /nfs/dbraw/zinc/99/16/48/900991648.db2.gz MYRXJOQUUUJMEN-UHFFFAOYSA-N 0 0 401.163 4.205 20 5 HIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC000485739298 900993408 /nfs/dbraw/zinc/99/34/08/900993408.db2.gz RXUCLTBTMQUYNH-INIZCTEOSA-N 0 0 402.472 4.311 20 5 HIBDRN CN(C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000485740834 900995055 /nfs/dbraw/zinc/99/50/55/900995055.db2.gz YKSAVHUELTYADK-KSSFIOAISA-N 0 0 422.268 4.084 20 5 HIBDRN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1sc(Br)cc1[N+](=O)[O-] ZINC000485745961 901001172 /nfs/dbraw/zinc/00/11/72/901001172.db2.gz BNVURZULRGOLCK-VIFPVBQESA-N 0 0 423.210 4.495 20 5 HIBDRN CSc1cccc(C(=O)NCCOc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000485762575 901019492 /nfs/dbraw/zinc/01/94/92/901019492.db2.gz JUTZYFAZQLSPBO-UHFFFAOYSA-N 0 0 400.378 4.144 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000485791010 901042508 /nfs/dbraw/zinc/04/25/08/901042508.db2.gz KPRLKDRKQMFOKJ-GFCCVEGCSA-N 0 0 409.364 4.080 20 5 HIBDRN CC[C@@H](C(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2COC)CC1)c1ccccc1 ZINC000485838349 901084784 /nfs/dbraw/zinc/08/47/84/901084784.db2.gz FTFHWNQXCBYMRD-OAQYLSRUSA-N 0 0 411.502 4.338 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1C ZINC000485865113 901104910 /nfs/dbraw/zinc/10/49/10/901104910.db2.gz ULQFXKRRUYEZNC-UHFFFAOYSA-N 0 0 414.849 4.458 20 5 HIBDRN Cc1cnc([C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C2CC2)s1 ZINC000485887855 901121127 /nfs/dbraw/zinc/12/11/27/901121127.db2.gz IWWJGBSQDXQIAN-SNVBAGLBSA-N 0 0 402.295 4.065 20 5 HIBDRN COc1ccc([C@H](C)CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000485888858 901122418 /nfs/dbraw/zinc/12/24/18/901122418.db2.gz NNPLUFFAHVXIDD-SNVBAGLBSA-N 0 0 413.293 4.351 20 5 HIBDRN COc1cccc(F)c1[C@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485893290 901125849 /nfs/dbraw/zinc/12/58/49/901125849.db2.gz FUTFMUYKBCTDPM-ZETCQYMHSA-N 0 0 403.229 4.058 20 5 HIBDRN C[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000485901071 901130270 /nfs/dbraw/zinc/13/02/70/901130270.db2.gz QSVJCJSSQVCUAR-ZETCQYMHSA-N 0 0 405.220 4.231 20 5 HIBDRN O=C(NC[C@@H]1CCOc2ccccc21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485937565 901159334 /nfs/dbraw/zinc/15/93/34/901159334.db2.gz UDVVJHLMTOEIPX-SFHVURJKSA-N 0 0 418.449 4.470 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H](C)CSCc2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000485961394 901178679 /nfs/dbraw/zinc/17/86/79/901178679.db2.gz AOPXADXCTHNVTR-CYBMUJFWSA-N 0 0 402.472 4.198 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cncc(-c3ccc(OC)cc3)c2)c(C)c([N+](=O)[O-])c1 ZINC000485966187 901182480 /nfs/dbraw/zinc/18/24/80/901182480.db2.gz OZRLRRRFRMMSPT-UHFFFAOYSA-N 0 0 421.409 4.013 20 5 HIBDRN COC(=O)c1cc(NC(=O)COc2cc(Cl)cc(Cl)c2)c(C)c([N+](=O)[O-])c1 ZINC000485965765 901182633 /nfs/dbraw/zinc/18/26/33/901182633.db2.gz 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Cc1cccc(OCCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000487653471 902276365 /nfs/dbraw/zinc/27/63/65/902276365.db2.gz PQAZXAQNUALZBV-UHFFFAOYSA-N 0 0 411.502 4.013 20 5 HIBDRN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487698881 902298996 /nfs/dbraw/zinc/29/89/96/902298996.db2.gz AIBAAVLFBQBFHE-UHFFFAOYSA-N 0 0 404.291 4.487 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000487712569 902308564 /nfs/dbraw/zinc/30/85/64/902308564.db2.gz SZUJARJQXKEQOK-UHFFFAOYSA-N 0 0 418.425 4.361 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000487714174 902311082 /nfs/dbraw/zinc/31/10/82/902311082.db2.gz HOOFOHIMUROGHV-INIZCTEOSA-N 0 0 412.776 4.063 20 5 HIBDRN COCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl ZINC000487714370 902311108 /nfs/dbraw/zinc/31/11/08/902311108.db2.gz JBEGLERNLVWGRY-UHFFFAOYSA-N 0 0 416.764 4.127 20 5 HIBDRN COC(=O)c1csc(-c2cccc(CNc3c4ccccc4ncc3[N+](=O)[O-])c2)n1 ZINC000487723240 902318126 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Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000488039959 902555455 /nfs/dbraw/zinc/55/54/55/902555455.db2.gz JQTHLDXDTASKIB-FUHWJXTLSA-N 0 0 410.474 4.025 20 5 HIBDRN C[C@H](NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000488054833 902569176 /nfs/dbraw/zinc/56/91/76/902569176.db2.gz ZVGFLEYUOCPSEZ-JTQLQIEISA-N 0 0 406.320 4.155 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000488054678 902569482 /nfs/dbraw/zinc/56/94/82/902569482.db2.gz VPCWJMUEOTUXQA-VXGBXAGGSA-N 0 0 424.284 4.206 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000488055867 902569644 /nfs/dbraw/zinc/56/96/44/902569644.db2.gz JJESYYRJJZHKAP-BZSNNMDCSA-N 0 0 411.502 4.003 20 5 HIBDRN CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000488081510 902587289 /nfs/dbraw/zinc/58/72/89/902587289.db2.gz ZAVFGLYYVCBFAG-ZDUSSCGKSA-N 0 0 423.391 4.470 20 5 HIBDRN CC(C)(NC(=O)NCc1cc(F)ccc1Br)c1ccccc1[N+](=O)[O-] ZINC000488079585 902587437 /nfs/dbraw/zinc/58/74/37/902587437.db2.gz VGWYKRRSQNRZMP-UHFFFAOYSA-N 0 0 410.243 4.231 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1[N+](=O)[O-] ZINC000488088447 902592547 /nfs/dbraw/zinc/59/25/47/902592547.db2.gz XXYXKCXUYJANMZ-HNNXBMFYSA-N 0 0 402.878 4.482 20 5 HIBDRN O=[N+]([O-])c1cnc2ccccc2c1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000488086991 902592553 /nfs/dbraw/zinc/59/25/53/902592553.db2.gz JYQFBRWFVAKNOJ-SFHVURJKSA-N 0 0 414.259 4.483 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000488090969 902595089 /nfs/dbraw/zinc/59/50/89/902595089.db2.gz LVUIIILEZINJEL-AZUAARDMSA-N 0 0 423.513 4.250 20 5 HIBDRN C[C@H](C1CC1)n1cc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000488205337 902687886 /nfs/dbraw/zinc/68/78/86/902687886.db2.gz SLZAALVNMRTVBO-WDEREUQCSA-N 0 0 411.384 4.220 20 5 HIBDRN O=C(CN[C@@H](c1ccc(F)cc1)C(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488218995 902699219 /nfs/dbraw/zinc/69/92/19/902699219.db2.gz HMPDXYWPLKSYRC-HNNXBMFYSA-N 0 0 405.735 4.219 20 5 HIBDRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000488249943 902724249 /nfs/dbraw/zinc/72/42/49/902724249.db2.gz LPUOTERVBDFWOA-KRWDZBQOSA-N 0 0 419.890 4.019 20 5 HIBDRN COCCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000488253211 902727450 /nfs/dbraw/zinc/72/74/50/902727450.db2.gz JVVSJOMDQOHJEH-OAHLLOKOSA-N 0 0 405.882 4.210 20 5 HIBDRN CCCOc1ccc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000488272173 902739546 /nfs/dbraw/zinc/73/95/46/902739546.db2.gz KFTSSPOIVJFMHT-UHFFFAOYSA-N 0 0 421.881 4.088 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000488283240 902745077 /nfs/dbraw/zinc/74/50/77/902745077.db2.gz WEMMZZPTZAHAGS-SNVBAGLBSA-N 0 0 406.851 4.116 20 5 HIBDRN COc1c(F)cc(S(=O)(=O)Nc2cc(Cl)c(C)cc2Cl)cc1[N+](=O)[O-] ZINC000488291576 902753147 /nfs/dbraw/zinc/75/31/47/902753147.db2.gz HOJQMQZRUFTEGR-UHFFFAOYSA-N 0 0 409.222 4.159 20 5 HIBDRN CCOc1ccc(OC)cc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000488297111 902759184 /nfs/dbraw/zinc/75/91/84/902759184.db2.gz NQJPZEZBZKANMX-UHFFFAOYSA-N 0 0 413.352 4.343 20 5 HIBDRN CC[C@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])Oc1cccc(C)c1 ZINC000488384824 902795212 /nfs/dbraw/zinc/79/52/12/902795212.db2.gz KGDDLZGUULPRKU-CQSZACIVSA-N 0 0 404.488 4.221 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccnc(OC2CCCC2)c1 ZINC000488401110 902808745 /nfs/dbraw/zinc/80/87/45/902808745.db2.gz GHQNUAPVGZPTTI-UHFFFAOYSA-N 0 0 418.881 4.007 20 5 HIBDRN O=C(Nc1ccccc1COc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488400709 902808939 /nfs/dbraw/zinc/80/89/39/902808939.db2.gz TWYWHRIBVVYBTR-UHFFFAOYSA-N 0 0 421.457 4.239 20 5 HIBDRN CC(C)(NC(=O)NCc1ccc(OCc2ccccn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000488431146 902823320 /nfs/dbraw/zinc/82/33/20/902823320.db2.gz GWTFROSVVBMWGT-UHFFFAOYSA-N 0 0 420.469 4.303 20 5 HIBDRN 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VFTGYCAWWLUSFV-QHCPKHFHSA-N 0 0 408.454 4.500 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2cc(Cl)ccc2n1C ZINC000491413010 904584269 /nfs/dbraw/zinc/58/42/69/904584269.db2.gz KTHORMZWRLYRBR-UHFFFAOYSA-N 0 0 404.879 4.177 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc2cc(Cl)ccc2n1C ZINC000491449870 904604095 /nfs/dbraw/zinc/60/40/95/904604095.db2.gz YMKDLJLRCOMWTA-CQSZACIVSA-N 0 0 400.866 4.020 20 5 HIBDRN CCC[C@@]1(C(F)(F)F)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000491498892 904626219 /nfs/dbraw/zinc/62/62/19/904626219.db2.gz DUEPCWQAHATROD-ZDUSSCGKSA-N 0 0 400.806 4.134 20 5 HIBDRN CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000491572391 904656828 /nfs/dbraw/zinc/65/68/28/904656828.db2.gz MRFOJCIETSOLBC-AWEZNQCLSA-N 0 0 424.284 4.286 20 5 HIBDRN O=C(Nc1ccc(-n2cccn2)nc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000491832462 904706216 /nfs/dbraw/zinc/70/62/16/904706216.db2.gz QQGIBNWKVDNHLG-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000491863264 904714721 /nfs/dbraw/zinc/71/47/21/904714721.db2.gz ISYZQVYXKJFRKC-GOSISDBHSA-N 0 0 409.486 4.429 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC000491886433 904720581 /nfs/dbraw/zinc/72/05/81/904720581.db2.gz GFDQKNYVQZOHOH-UHFFFAOYSA-N 0 0 418.540 4.473 20 5 HIBDRN CC(C)c1ccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000492059269 904779885 /nfs/dbraw/zinc/77/98/85/904779885.db2.gz GTDRHQJHOJSAFN-KRWDZBQOSA-N 0 0 411.271 4.443 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1-c1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000492149606 904806964 /nfs/dbraw/zinc/80/69/64/904806964.db2.gz GDGODXUPNDBOAF-UHFFFAOYSA-N 0 0 404.382 4.294 20 5 HIBDRN CCOc1cc(CSc2nnc(-c3ccc(OC)c(OC)c3)o2)ccc1[N+](=O)[O-] ZINC000492151315 904807072 /nfs/dbraw/zinc/80/70/72/904807072.db2.gz LRAYZFBIVBHDQR-UHFFFAOYSA-N 0 0 417.443 4.353 20 5 HIBDRN Cc1n[nH]c(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000492250844 904823897 /nfs/dbraw/zinc/82/38/97/904823897.db2.gz HCCRLDZHZGDIAM-HNNXBMFYSA-N 0 0 423.860 4.323 20 5 HIBDRN Cc1cc2cc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)ccc2n(C)c1=O ZINC000492296603 904830675 /nfs/dbraw/zinc/83/06/75/904830675.db2.gz RZOQLHDPTQNCHE-UHFFFAOYSA-N 0 0 406.467 4.491 20 5 HIBDRN CCOc1cc(CSc2n[nH]c(-c3ccc(OC)cc3OC)n2)ccc1[N+](=O)[O-] ZINC000492313852 904833789 /nfs/dbraw/zinc/83/37/89/904833789.db2.gz QNXVEKBFVCPIJJ-UHFFFAOYSA-N 0 0 416.459 4.088 20 5 HIBDRN Cc1nc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCCCCC2)no1 ZINC000492589539 904873583 /nfs/dbraw/zinc/87/35/83/904873583.db2.gz JOSDGJZSANXCGL-UHFFFAOYSA-N 0 0 400.460 4.480 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000493007721 904984909 /nfs/dbraw/zinc/98/49/09/904984909.db2.gz ZWHCYBICAODVCR-FUHWJXTLSA-N 0 0 410.474 4.025 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000493007709 904985472 /nfs/dbraw/zinc/98/54/72/904985472.db2.gz ZWHCYBICAODVCR-AEFFLSMTSA-N 0 0 410.474 4.025 20 5 HIBDRN Cc1ccc(CNC(=O)C2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000493104589 905020557 /nfs/dbraw/zinc/02/05/57/905020557.db2.gz JRFRBFXRLSZRDE-UHFFFAOYSA-N 0 0 401.894 4.085 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000493109196 905022778 /nfs/dbraw/zinc/02/27/78/905022778.db2.gz ZESFHTIAIAKCQL-MRXNPFEDSA-N 0 0 418.925 4.391 20 5 HIBDRN COc1ccc(OC)c(CN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)c1 ZINC000493134540 905030174 /nfs/dbraw/zinc/03/01/74/905030174.db2.gz SXFBVGBPWIBJGP-HNNXBMFYSA-N 0 0 413.474 4.356 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000493159786 905037389 /nfs/dbraw/zinc/03/73/89/905037389.db2.gz SPRLCQKZPNTXPX-KGLIPLIRSA-N 0 0 406.508 4.360 20 5 HIBDRN O=C(NCCCc1c[nH]c2ccc(F)cc12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000506254149 914865741 /nfs/dbraw/zinc/86/57/41/914865741.db2.gz NMGSHZNFNGJBBB-UHFFFAOYSA-N 0 0 407.348 4.179 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1[N+](=O)[O-] ZINC000493211144 905052644 /nfs/dbraw/zinc/05/26/44/905052644.db2.gz OIUSXMKCVAAXRF-YJYMSZOUSA-N 0 0 405.401 4.026 20 5 HIBDRN O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000493234797 905059838 /nfs/dbraw/zinc/05/98/38/905059838.db2.gz GWUTWTWYRISBEN-GOSISDBHSA-N 0 0 422.485 4.030 20 5 HIBDRN COC(=O)c1ccc(F)c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000493249913 905067139 /nfs/dbraw/zinc/06/71/39/905067139.db2.gz CABOMLIWEHUWQD-UHFFFAOYSA-N 0 0 424.384 4.352 20 5 HIBDRN COc1cc(COc2cccc3c2CCCC(=O)N3)c([N+](=O)[O-])cc1OCC(F)F ZINC000506269384 914873902 /nfs/dbraw/zinc/87/39/02/914873902.db2.gz MVMLOOPVFWJVPK-UHFFFAOYSA-N 0 0 422.384 4.101 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000493552019 905158338 /nfs/dbraw/zinc/15/83/38/905158338.db2.gz SWCZFCAASNGDIM-HNNXBMFYSA-N 0 0 417.512 4.347 20 5 HIBDRN COc1cc(CNc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493642202 905182950 /nfs/dbraw/zinc/18/29/50/905182950.db2.gz NULWWRNXIDPZSA-UHFFFAOYSA-N 0 0 404.373 4.045 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@H]2CCC[C@H]2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000493742362 905210355 /nfs/dbraw/zinc/21/03/55/905210355.db2.gz ZRFKBECDKQTQTM-PZJWPPBQSA-N 0 0 420.469 4.109 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)cs1 ZINC000493953489 905304191 /nfs/dbraw/zinc/30/41/91/905304191.db2.gz ULUFGJNDDOZJOJ-ZDUSSCGKSA-N 0 0 424.482 4.151 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cccc(Sc2ccc(Cl)cc2)c1 ZINC000494036800 905375735 /nfs/dbraw/zinc/37/57/35/905375735.db2.gz GULUKMZIQKAUSW-UHFFFAOYSA-N 0 0 417.878 4.418 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC)c2ccccc2OC(F)F)cc1OC ZINC000512409427 921142241 /nfs/dbraw/zinc/14/22/41/921142241.db2.gz DEXZRFBIZCZWRG-AWEZNQCLSA-N 0 0 424.400 4.485 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000494053752 905392164 /nfs/dbraw/zinc/39/21/64/905392164.db2.gz DCLNVVBYOAFRGJ-CQSZACIVSA-N 0 0 417.535 4.152 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000512423386 921150188 /nfs/dbraw/zinc/15/01/88/921150188.db2.gz GHBQKUJPEVJGFQ-FQEVSTJZSA-N 0 0 414.824 4.145 20 5 HIBDRN CN(CC(=O)Nc1ccccc1Br)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494151809 905489775 /nfs/dbraw/zinc/48/97/75/905489775.db2.gz FMHLEBSUUDNGGT-UHFFFAOYSA-N 0 0 412.671 4.081 20 5 HIBDRN CCCc1ccc([C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(C)C)cc1 ZINC000494195784 905530012 /nfs/dbraw/zinc/53/00/12/905530012.db2.gz RMKBOODETKWYER-NRFANRHFSA-N 0 0 413.522 4.488 20 5 HIBDRN C/C(=C\c1ccccc1)CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494233824 905559943 /nfs/dbraw/zinc/55/99/43/905559943.db2.gz LBWIJPONAYQBOR-GXDHUFHOSA-N 0 0 418.291 4.331 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC2(C1)CCCOC2 ZINC000494245550 905572569 /nfs/dbraw/zinc/57/25/69/905572569.db2.gz SCQDNCJDZDVMNK-UHFFFAOYSA-N 0 0 402.834 4.293 20 5 HIBDRN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000494413577 905701796 /nfs/dbraw/zinc/70/17/96/905701796.db2.gz TVMXYGFGDRZZQL-ZJUUUORDSA-N 0 0 402.398 4.138 20 5 HIBDRN C[C@H](COc1cccc(F)c1)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494419143 905705617 /nfs/dbraw/zinc/70/56/17/905705617.db2.gz QUNNJSNVABIVKL-LLVKDONJSA-N 0 0 415.343 4.019 20 5 HIBDRN CO[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000494427596 905715261 /nfs/dbraw/zinc/71/52/61/905715261.db2.gz TWVJNUUQZMMZRM-IBGZPJMESA-N 0 0 403.866 4.310 20 5 HIBDRN COc1cc(Br)ccc1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000494444443 905728469 /nfs/dbraw/zinc/72/84/69/905728469.db2.gz LZBMZVORENPTSG-UHFFFAOYSA-N 0 0 417.206 4.257 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1nc(C2CCOCC2)cs1 ZINC000494475583 905755203 /nfs/dbraw/zinc/75/52/03/905755203.db2.gz RHQDXZZYYRUMLU-UHFFFAOYSA-N 0 0 404.492 4.090 20 5 HIBDRN C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000494481880 905763188 /nfs/dbraw/zinc/76/31/88/905763188.db2.gz CMBZMHQNPNKFJA-JTQLQIEISA-N 0 0 420.384 4.007 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000494541911 905821491 /nfs/dbraw/zinc/82/14/91/905821491.db2.gz IBXHMOCLCDGSOS-AWEZNQCLSA-N 0 0 419.865 4.104 20 5 HIBDRN O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000494542810 905823194 /nfs/dbraw/zinc/82/31/94/905823194.db2.gz LDHZBIXZPZCFSD-FQEVSTJZSA-N 0 0 416.433 4.450 20 5 HIBDRN CCCOc1cc(NC(=O)Nc2cc(C3CC3)[nH]n2)c([N+](=O)[O-])cc1OCCC ZINC000494566254 905839447 /nfs/dbraw/zinc/83/94/47/905839447.db2.gz VDVCCYBJFNMZCV-UHFFFAOYSA-N 0 0 403.439 4.417 20 5 HIBDRN COc1cc(Cl)ccc1CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000494612513 905861770 /nfs/dbraw/zinc/86/17/70/905861770.db2.gz BHWRWDBMQRNZQI-UHFFFAOYSA-N 0 0 416.808 4.199 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000494662497 905889075 /nfs/dbraw/zinc/88/90/75/905889075.db2.gz SEWYYWXPNWAZBV-FQEVSTJZSA-N 0 0 415.469 4.208 20 5 HIBDRN COc1ccc(F)cc1[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494668794 905891718 /nfs/dbraw/zinc/89/17/18/905891718.db2.gz MYCXTEJRGHHZHU-SNVBAGLBSA-N 0 0 415.343 4.322 20 5 HIBDRN COc1ccc(F)cc1[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494668793 905891825 /nfs/dbraw/zinc/89/18/25/905891825.db2.gz MYCXTEJRGHHZHU-JTQLQIEISA-N 0 0 415.343 4.322 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000494676372 905895551 /nfs/dbraw/zinc/89/55/51/905895551.db2.gz ZCNVXPIJQQVCMX-GDLZYMKVSA-N 0 0 416.499 4.437 20 5 HIBDRN COC(=O)c1ccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000494715380 905918671 /nfs/dbraw/zinc/91/86/71/905918671.db2.gz OTTUVEBLOXAPHI-JOCHJYFZSA-N 0 0 406.438 4.269 20 5 HIBDRN CN(Cc1ccc(Br)c(F)c1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000494864372 906047460 /nfs/dbraw/zinc/04/74/60/906047460.db2.gz IXJKLOLQPQPVRR-UHFFFAOYSA-N 0 0 418.222 4.317 20 5 HIBDRN C/C(=C/c1ccccc1)CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000494866262 906049562 /nfs/dbraw/zinc/04/95/62/906049562.db2.gz XFNRHZKODUDERN-UVTDQMKNSA-N 0 0 403.276 4.462 20 5 HIBDRN CC(C)Sc1ccc([C@H](C)NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000494917534 906089865 /nfs/dbraw/zinc/08/98/65/906089865.db2.gz MFWKKHCXNZOWEA-HNNXBMFYSA-N 0 0 417.535 4.400 20 5 HIBDRN O=C(Cc1cc(F)c(F)cc1F)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000494945186 906116412 /nfs/dbraw/zinc/11/64/12/906116412.db2.gz FKHBIOOSUKZAEC-UHFFFAOYSA-N 0 0 406.282 4.146 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1OCCc2sccc21 ZINC000494950770 906123730 /nfs/dbraw/zinc/12/37/30/906123730.db2.gz NYEMHIMMPRFNET-YJYMSZOUSA-N 0 0 401.488 4.033 20 5 HIBDRN Cc1cc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])nn1-c1ccc(F)cc1F ZINC000495016472 906174848 /nfs/dbraw/zinc/17/48/48/906174848.db2.gz JMLKTCMYTUAVJN-UHFFFAOYSA-N 0 0 416.384 4.083 20 5 HIBDRN COC(=O)c1cccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1Br ZINC000495036509 906192472 /nfs/dbraw/zinc/19/24/72/906192472.db2.gz NATLNGFRQBQKFI-SNVBAGLBSA-N 0 0 422.235 4.027 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc(-c2ccccn2)cs1 ZINC000495100444 906239253 /nfs/dbraw/zinc/23/92/53/906239253.db2.gz UMNKPULSCSKRQL-UHFFFAOYSA-N 0 0 414.512 4.198 20 5 HIBDRN COc1cc(N[C@H]2CCCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000495120368 906252425 /nfs/dbraw/zinc/25/24/25/906252425.db2.gz JNJPDPMWPCDBDR-INIZCTEOSA-N 0 0 414.462 4.029 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000495177628 906288019 /nfs/dbraw/zinc/28/80/19/906288019.db2.gz ZQHCVKVUSLWOJJ-UHFFFAOYSA-N 0 0 404.470 4.131 20 5 HIBDRN C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000495355416 906397314 /nfs/dbraw/zinc/39/73/14/906397314.db2.gz IPGLHGWDZUJTJA-VCBZYWHSSA-N 0 0 409.555 4.262 20 5 HIBDRN CCNc1ccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1[N+](=O)[O-] ZINC000495361249 906403649 /nfs/dbraw/zinc/40/36/49/906403649.db2.gz ZBHFOFMMIHDCTC-UHFFFAOYSA-N 0 0 417.412 4.040 20 5 HIBDRN COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C2CC2)c(OC)c1 ZINC000512555866 921233435 /nfs/dbraw/zinc/23/34/35/921233435.db2.gz TWVFTXFDCYCKDG-GFCCVEGCSA-N 0 0 404.488 4.423 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)cc1[N+](=O)[O-] ZINC000495658915 906521527 /nfs/dbraw/zinc/52/15/27/906521527.db2.gz SUXIXXVGJPCGQV-UHFFFAOYSA-N 0 0 401.488 4.263 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000495682074 906524247 /nfs/dbraw/zinc/52/42/47/906524247.db2.gz FLSCPRUSKJPKKY-CQSZACIVSA-N 0 0 410.898 4.356 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000495773977 906549308 /nfs/dbraw/zinc/54/93/08/906549308.db2.gz GEYNEQDDMOOKQC-UHFFFAOYSA-N 0 0 410.455 4.102 20 5 HIBDRN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000495860678 906563880 /nfs/dbraw/zinc/56/38/80/906563880.db2.gz CBKXDFANCZGIKA-RDJZCZTQSA-N 0 0 403.523 4.049 20 5 HIBDRN Cc1nc2ccccc2c2c(NC(=O)c3ccnc(-n4cncn4)c3)c3ccccc3n21 ZINC000512580384 921248092 /nfs/dbraw/zinc/24/80/92/921248092.db2.gz AXIOKFCMFUYODI-UHFFFAOYSA-N 0 0 419.448 4.177 20 5 HIBDRN Cn1nccc1[C@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000512585519 921250472 /nfs/dbraw/zinc/25/04/72/921250472.db2.gz DLVQLSOXWALQNG-KRWDZBQOSA-N 0 0 422.510 4.499 20 5 HIBDRN CN(C1CCCCC1)S(=O)(=O)c1cccc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000512590126 921251897 /nfs/dbraw/zinc/25/18/97/921251897.db2.gz IRNHFKYRVQERMR-UHFFFAOYSA-N 0 0 409.533 4.222 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)cc1[N+](=O)[O-] ZINC000512602190 921256513 /nfs/dbraw/zinc/25/65/13/921256513.db2.gz MHRXMKLKMQXJKK-DZGCQCFKSA-N 0 0 409.280 4.030 20 5 HIBDRN CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000496512077 906697717 /nfs/dbraw/zinc/69/77/17/906697717.db2.gz CNSVWDNDEPUEAJ-QHCPKHFHSA-N 0 0 421.501 4.256 20 5 HIBDRN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000496512165 906698564 /nfs/dbraw/zinc/69/85/64/906698564.db2.gz DDQDEERGGJESTR-QFIPXVFZSA-N 0 0 415.453 4.426 20 5 HIBDRN C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000496535581 906705922 /nfs/dbraw/zinc/70/59/22/906705922.db2.gz VLFHUDLJSYXYOX-HUUCEWRRSA-N 0 0 415.515 4.284 20 5 HIBDRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000496821844 906762178 /nfs/dbraw/zinc/76/21/78/906762178.db2.gz HJQYZZKVYLXSTG-KRWDZBQOSA-N 0 0 423.513 4.205 20 5 HIBDRN COc1ccc(C(C)(C)CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000497116163 906808441 /nfs/dbraw/zinc/80/84/41/906808441.db2.gz QCTZFNHNYODNRN-UHFFFAOYSA-N 0 0 411.483 4.435 20 5 HIBDRN CNS(=O)(=O)c1cccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1C ZINC000512638106 921270042 /nfs/dbraw/zinc/27/00/42/921270042.db2.gz DTMVCAYXEKLMEY-UHFFFAOYSA-N 0 0 417.512 4.152 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCC1(c2ccccc2Cl)CC1 ZINC000497331919 906836063 /nfs/dbraw/zinc/83/60/63/906836063.db2.gz SGGPKDRQIRZMMN-UHFFFAOYSA-N 0 0 411.845 4.023 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CC[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000497346264 906842332 /nfs/dbraw/zinc/84/23/32/906842332.db2.gz WPOOPISDDZKQLL-CQSZACIVSA-N 0 0 413.861 4.373 20 5 HIBDRN O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497352368 906847476 /nfs/dbraw/zinc/84/74/76/906847476.db2.gz LAFMKDUMUMPWHC-FUHWJXTLSA-N 0 0 406.385 4.064 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc3ccccc32)cc1OC ZINC000497379756 906867510 /nfs/dbraw/zinc/86/75/10/906867510.db2.gz AMQFODXIBQHESG-HNNXBMFYSA-N 0 0 424.453 4.273 20 5 HIBDRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000497418022 906892116 /nfs/dbraw/zinc/89/21/16/906892116.db2.gz PHUATVLCQSWTJV-LJQANCHMSA-N 0 0 411.506 4.148 20 5 HIBDRN CCn1c2ccccc2nc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000497460190 906937092 /nfs/dbraw/zinc/93/70/92/906937092.db2.gz IQIZJQBDDYHNHA-OAHLLOKOSA-N 0 0 407.474 4.453 20 5 HIBDRN CS(=O)(=O)c1cccc(NCc2ccccc2OCc2ccccc2)c1[N+](=O)[O-] ZINC000497523568 907012667 /nfs/dbraw/zinc/01/26/67/907012667.db2.gz MIHKSRIXOXIQSM-UHFFFAOYSA-N 0 0 412.467 4.189 20 5 HIBDRN Cc1cc([C@H]2CN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CCO2)ccc1F ZINC000497585628 907067116 /nfs/dbraw/zinc/06/71/16/907067116.db2.gz QRQXVKDKRHGWLU-IFXJQAMLSA-N 0 0 404.463 4.123 20 5 HIBDRN Cc1cc([C@H]2CN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CCO2)ccc1F ZINC000497585625 907067633 /nfs/dbraw/zinc/06/76/33/907067633.db2.gz QRQXVKDKRHGWLU-AUUYWEPGSA-N 0 0 404.463 4.123 20 5 HIBDRN O=C(c1cnn2c1nccc2-c1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000497591104 907072986 /nfs/dbraw/zinc/07/29/86/907072986.db2.gz ULQOOOIYMUSKAS-UHFFFAOYSA-N 0 0 413.437 4.109 20 5 HIBDRN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497646062 907134520 /nfs/dbraw/zinc/13/45/20/907134520.db2.gz PUWBCVRMZHWKBY-UHFFFAOYSA-N 0 0 409.269 4.380 20 5 HIBDRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497648505 907137280 /nfs/dbraw/zinc/13/72/80/907137280.db2.gz DPXYCTLCKWHDRF-QGZVFWFLSA-N 0 0 408.285 4.469 20 5 HIBDRN CN(Cc1csc2ccccc12)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497655524 907146688 /nfs/dbraw/zinc/14/66/88/907146688.db2.gz LIZOIQLTAQMKEH-UHFFFAOYSA-N 0 0 402.497 4.166 20 5 HIBDRN O=C(NCCc1nc2ccccc2s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497710958 907214834 /nfs/dbraw/zinc/21/48/34/907214834.db2.gz PRUAWOSZWGCFDV-UHFFFAOYSA-N 0 0 410.480 4.301 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(-c2cccnc2)cc1 ZINC000497737773 907233652 /nfs/dbraw/zinc/23/36/52/907233652.db2.gz LMYKNVYTWQKELC-OAHLLOKOSA-N 0 0 423.494 4.232 20 5 HIBDRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497749278 907243259 /nfs/dbraw/zinc/24/32/59/907243259.db2.gz UBQPMSKADMVHQC-UHFFFAOYSA-N 0 0 413.861 4.403 20 5 HIBDRN Cc1ccc(Cc2ccccn2)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000512771386 921309475 /nfs/dbraw/zinc/30/94/75/921309475.db2.gz MBZYNPHOZBJDEZ-UHFFFAOYSA-N 0 0 413.437 4.327 20 5 HIBDRN O=C(Nc1ccc(F)cc1Br)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497800705 907284229 /nfs/dbraw/zinc/28/42/29/907284229.db2.gz UFGKSGGILPPDNO-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(Cc3ccccn3)ccc2C)cc([N+](=O)[O-])c1 ZINC000512785053 921311060 /nfs/dbraw/zinc/31/10/60/921311060.db2.gz BKEKHQUVZJYOLA-UHFFFAOYSA-N 0 0 419.437 4.318 20 5 HIBDRN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1OC(F)F ZINC000497808276 907293297 /nfs/dbraw/zinc/29/32/97/907293297.db2.gz ONMXMRLMGMSYPT-LBPRGKRZSA-N 0 0 417.368 4.001 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000497808626 907293551 /nfs/dbraw/zinc/29/35/51/907293551.db2.gz JAJIJMXPZCZBQX-DNVJHFABSA-N 0 0 423.513 4.132 20 5 HIBDRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000497821117 907302913 /nfs/dbraw/zinc/30/29/13/907302913.db2.gz HLBYSLOWVOKFJI-UHFFFAOYSA-N 0 0 409.364 4.340 20 5 HIBDRN COc1cc(C(=O)Nc2c(F)cccc2F)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000512808367 921315694 /nfs/dbraw/zinc/31/56/94/921315694.db2.gz PBERCHOFQNUTAC-UHFFFAOYSA-N 0 0 421.381 4.169 20 5 HIBDRN O=C(NCc1ccc(Oc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497864713 907342468 /nfs/dbraw/zinc/34/24/68/907342468.db2.gz YPZOUTILUFZSSI-UHFFFAOYSA-N 0 0 424.478 4.402 20 5 HIBDRN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000497867816 907346121 /nfs/dbraw/zinc/34/61/21/907346121.db2.gz GOHBKSLBXSPMGI-CYBMUJFWSA-N 0 0 408.285 4.466 20 5 HIBDRN CN(Cc1cccc(Br)c1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497894266 907367820 /nfs/dbraw/zinc/36/78/20/907367820.db2.gz MFMOWTCUBQKCMA-UHFFFAOYSA-N 0 0 400.232 4.178 20 5 HIBDRN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497907623 907378952 /nfs/dbraw/zinc/37/89/52/907378952.db2.gz KBPDBTIHHFQBNF-UHFFFAOYSA-N 0 0 405.332 4.014 20 5 HIBDRN Cc1cccc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccn2)c1 ZINC000497984009 907461217 /nfs/dbraw/zinc/46/12/17/907461217.db2.gz OXOONMHUGHOFCM-LJQANCHMSA-N 0 0 417.874 4.020 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000498013654 907506267 /nfs/dbraw/zinc/50/62/67/907506267.db2.gz HJKYPBGDYXCOLX-KRWDZBQOSA-N 0 0 417.303 4.381 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c1 ZINC000498023905 907524311 /nfs/dbraw/zinc/52/43/11/907524311.db2.gz CEGOHJSRNBGKRP-HNNXBMFYSA-N 0 0 403.276 4.371 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000498035526 907541502 /nfs/dbraw/zinc/54/15/02/907541502.db2.gz IBKZQBODXFDNIO-AWEZNQCLSA-N 0 0 419.275 4.071 20 5 HIBDRN CCC(=O)[C@H]1CCCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000498081475 907591563 /nfs/dbraw/zinc/59/15/63/907591563.db2.gz SDHZEBKHFGGMAA-HNAYVOBHSA-N 0 0 410.474 4.137 20 5 HIBDRN O=C(c1ccc(N2CCCCCC2)nc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498134054 907653871 /nfs/dbraw/zinc/65/38/71/907653871.db2.gz FIXMONNLMKXKEE-OAQYLSRUSA-N 0 0 412.515 4.258 20 5 HIBDRN Cc1ccc(Nc2cccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)c2)nn1 ZINC000498149800 907675414 /nfs/dbraw/zinc/67/54/14/907675414.db2.gz QLQVCTKXHVTOCS-NRFANRHFSA-N 0 0 421.482 4.325 20 5 HIBDRN O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498159954 907687017 /nfs/dbraw/zinc/68/70/17/907687017.db2.gz XLQQHGSVLBUHIX-OAQYLSRUSA-N 0 0 421.482 4.145 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000498187888 907721788 /nfs/dbraw/zinc/72/17/88/907721788.db2.gz QKTWEKYHWFEDNI-UHFFFAOYSA-N 0 0 401.426 4.039 20 5 HIBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(OC)cc1Cl ZINC000498237075 907769722 /nfs/dbraw/zinc/76/97/22/907769722.db2.gz MJPJBSYYCMRDRB-UHFFFAOYSA-N 0 0 402.737 4.119 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000498239523 907774270 /nfs/dbraw/zinc/77/42/70/907774270.db2.gz YODTYFIIPADHKB-MRXNPFEDSA-N 0 0 422.384 4.009 20 5 HIBDRN O=C(Nc1c2ccccc2oc1C(=O)c1ccco1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000498242813 907779808 /nfs/dbraw/zinc/77/98/08/907779808.db2.gz BLINXHNZFVXVQC-UHFFFAOYSA-N 0 0 420.333 4.146 20 5 HIBDRN COc1ccc(CC2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1 ZINC000498291597 907822588 /nfs/dbraw/zinc/82/25/88/907822588.db2.gz QYMXLJAXJLTYMV-UHFFFAOYSA-N 0 0 405.454 4.247 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000498344005 907849338 /nfs/dbraw/zinc/84/93/38/907849338.db2.gz MIFGXWFTPYMWMI-UHFFFAOYSA-N 0 0 401.825 4.259 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000498456965 907920751 /nfs/dbraw/zinc/92/07/51/907920751.db2.gz JFJFVPZTXCCSMX-UHFFFAOYSA-N 0 0 407.451 4.420 20 5 HIBDRN O=C(NCc1ccccc1N1CCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000498475838 907946535 /nfs/dbraw/zinc/94/65/35/907946535.db2.gz SWLATQAPJZYDFR-UHFFFAOYSA-N 0 0 408.502 4.459 20 5 HIBDRN CCn1cnnc1-c1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000498484561 907955899 /nfs/dbraw/zinc/95/58/99/907955899.db2.gz NMCQBCKKRGHLOD-UHFFFAOYSA-N 0 0 420.454 4.249 20 5 HIBDRN COc1ccc([C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2ccc(C)cc2)cc1 ZINC000512873779 921371592 /nfs/dbraw/zinc/37/15/92/921371592.db2.gz FMVLZIGTEYHAGI-QHCPKHFHSA-N 0 0 406.438 4.196 20 5 HIBDRN Cc1cccc([C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccn2)c1 ZINC000498591219 908042131 /nfs/dbraw/zinc/04/21/31/908042131.db2.gz TUAVFFMEVYPSTQ-HSZRJFAPSA-N 0 0 400.438 4.159 20 5 HIBDRN Cc1cccc([C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccn2)c1 ZINC000498597578 908046524 /nfs/dbraw/zinc/04/65/24/908046524.db2.gz DHUIFYHDSDUSAE-QHCPKHFHSA-N 0 0 416.481 4.418 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccncc1 ZINC000498599675 908048013 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ZINC000499357881 908726844 /nfs/dbraw/zinc/72/68/44/908726844.db2.gz FRNAFPBZKZEYNA-KZULUSFZSA-N 0 0 419.275 4.268 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000512955651 921436100 /nfs/dbraw/zinc/43/61/00/921436100.db2.gz SLHJHDCUISBWHC-UHFFFAOYSA-N 0 0 418.375 4.114 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)cc1OC ZINC000499459925 908806222 /nfs/dbraw/zinc/80/62/22/908806222.db2.gz ULORWEIQBFSHCF-MRXNPFEDSA-N 0 0 416.474 4.079 20 5 HIBDRN Cc1nc(COc2ccccc2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000499470132 908808910 /nfs/dbraw/zinc/80/89/10/908808910.db2.gz LNQZNWLJVKXSRN-UHFFFAOYSA-N 0 0 422.319 4.136 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000499476508 908810330 /nfs/dbraw/zinc/81/03/30/908810330.db2.gz HKDUNTDGFBBICT-UHFFFAOYSA-N 0 0 402.450 4.446 20 5 HIBDRN COc1ccc(N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)C2CC2)cc1 ZINC000499580227 908847024 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417.874 4.375 20 5 HIBDRN O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])Nc1ccc2c(c1)OCCO2 ZINC000516832402 923910121 /nfs/dbraw/zinc/91/01/21/923910121.db2.gz WQWFTMLDVGTITM-UHFFFAOYSA-N 0 0 406.394 4.051 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@H]2COc3ccccc3O2)no1 ZINC000516893683 923929939 /nfs/dbraw/zinc/92/99/39/923929939.db2.gz VMTZADJLVFANEM-OAHLLOKOSA-N 0 0 418.203 4.228 20 5 HIBDRN C[C@@H](c1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1)N1CCOCC1 ZINC000517081030 923986888 /nfs/dbraw/zinc/98/68/88/923986888.db2.gz SOMOQBNJIKBSCG-ZDUSSCGKSA-N 0 0 404.854 4.285 20 5 HIBDRN C[C@H](c1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1)N1CCOCC1 ZINC000517081026 923987388 /nfs/dbraw/zinc/98/73/88/923987388.db2.gz SOMOQBNJIKBSCG-CYBMUJFWSA-N 0 0 404.854 4.285 20 5 HIBDRN Cc1nc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)sc1Cc1cccc(F)c1 ZINC000517105705 924000341 /nfs/dbraw/zinc/00/03/41/924000341.db2.gz YBMUXWKRZFEIMQ-UHFFFAOYSA-N 0 0 411.418 4.218 20 5 HIBDRN 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ZINC000517655919 926761869 /nfs/dbraw/zinc/76/18/69/926761869.db2.gz FGPPEWXLUCDVFI-UHFFFAOYSA-N 0 0 402.410 4.464 20 5 HIBDRN Cc1ccc(OCc2noc(Cc3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 ZINC000517659246 926766407 /nfs/dbraw/zinc/76/64/07/926766407.db2.gz BJAZZQSWPBHKCD-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H](C)O[C@H](c4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC000517871546 926870187 /nfs/dbraw/zinc/87/01/87/926870187.db2.gz JWPGKHPMDNAJRM-PNCHPQGNSA-N 0 0 423.513 4.433 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H](C)O[C@@H](c4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC000517871544 926870693 /nfs/dbraw/zinc/87/06/93/926870693.db2.gz JWPGKHPMDNAJRM-PMAPCBKXSA-N 0 0 423.513 4.433 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC(CC(F)(F)F)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000517905041 926884471 /nfs/dbraw/zinc/88/44/71/926884471.db2.gz GBCIRKKPRUVXOQ-UHFFFAOYSA-N 0 0 424.423 4.261 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(Br)c3)CCC2)c1 ZINC000517929763 926893990 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4.352 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000518284458 927143340 /nfs/dbraw/zinc/14/33/40/927143340.db2.gz QOQFVKSTTOJRRT-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN COc1ccc(C2(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000518292044 927150342 /nfs/dbraw/zinc/15/03/42/927150342.db2.gz DSJGZJDDCJCHAI-INIZCTEOSA-N 0 0 409.486 4.259 20 5 HIBDRN O=[N+]([O-])c1cccc(OCc2nc(-c3cccc(OCc4cccnc4)c3)no2)c1 ZINC000518343022 927208797 /nfs/dbraw/zinc/20/87/97/927208797.db2.gz VBJVNILJZLHANE-UHFFFAOYSA-N 0 0 404.382 4.198 20 5 HIBDRN C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000518362812 927221611 /nfs/dbraw/zinc/22/16/11/927221611.db2.gz OJNQVBBFFBASSQ-XOBRGWDASA-N 0 0 413.861 4.192 20 5 HIBDRN CN(CCOc1ccc(Br)cc1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000518372836 927227124 /nfs/dbraw/zinc/22/71/24/927227124.db2.gz IQTUBHRAWSGXDV-UHFFFAOYSA-N 0 0 413.655 4.162 20 5 HIBDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000518405260 927246350 /nfs/dbraw/zinc/24/63/50/927246350.db2.gz VTRQQHLWXWSVAZ-ZDUSSCGKSA-N 0 0 418.375 4.160 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N(Cc2ccccc2F)c2ccc(F)cc2)cc1 ZINC000518423660 927259352 /nfs/dbraw/zinc/25/93/52/927259352.db2.gz MRVWCJHDJMCVKT-UHFFFAOYSA-N 0 0 418.421 4.410 20 5 HIBDRN Cc1c(NC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)cccc1[N+](=O)[O-] ZINC000518554356 927343029 /nfs/dbraw/zinc/34/30/29/927343029.db2.gz ZJTGPXHSWLNQLY-UHFFFAOYSA-N 0 0 415.877 4.123 20 5 HIBDRN COc1ccc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)c([N+](=O)[O-])c1 ZINC000518556435 927345633 /nfs/dbraw/zinc/34/56/33/927345633.db2.gz IYWPZMNLYXAOFR-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cc1[N+](=O)[O-] ZINC000518579064 927358592 /nfs/dbraw/zinc/35/85/92/927358592.db2.gz CQRNBQXAVSIXHL-UHFFFAOYSA-N 0 0 410.308 4.085 20 5 HIBDRN 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411.483 4.040 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538902064 938734169 /nfs/dbraw/zinc/73/41/69/938734169.db2.gz ILHACYVPRUGXNT-BLVKFPJESA-N 0 0 410.829 4.049 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000538948335 938745501 /nfs/dbraw/zinc/74/55/01/938745501.db2.gz JQLILOCPAYXQIL-HWPZZCPQSA-N 0 0 413.352 4.233 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000538967750 938754131 /nfs/dbraw/zinc/75/41/31/938754131.db2.gz DWRWQSUPAGHCPF-UHFFFAOYSA-N 0 0 405.241 4.360 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(Cc3ccccc3)c(-c3ccccc3)s2)n1 ZINC000539013975 938768942 /nfs/dbraw/zinc/76/89/42/938768942.db2.gz JHVDURGBIYDNQP-UHFFFAOYSA-N 0 0 419.466 4.295 20 5 HIBDRN Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C3)cs1 ZINC000539032430 938774788 /nfs/dbraw/zinc/77/47/88/938774788.db2.gz TWCTYVMLXCUYNG-UHFFFAOYSA-N 0 0 403.460 4.426 20 5 HIBDRN Cc1nc(-c2cc3c(s2)CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C3)cs1 ZINC000539033032 938774875 /nfs/dbraw/zinc/77/48/75/938774875.db2.gz TUOUCOIYYIINCP-UHFFFAOYSA-N 0 0 415.496 4.052 20 5 HIBDRN COc1ccccc1[C@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000539059538 938787135 /nfs/dbraw/zinc/78/71/35/938787135.db2.gz PPDPCESDFUUYAW-NYHFZMIOSA-N 0 0 409.442 4.293 20 5 HIBDRN Cc1c([C@H](C)NCc2ccc([N+](=O)[O-])cc2)nnn1-c1cccc(Br)c1 ZINC000539092079 938801367 /nfs/dbraw/zinc/80/13/67/938801367.db2.gz UMYWHIYYAZQRDD-LBPRGKRZSA-N 0 0 416.279 4.097 20 5 HIBDRN COCCN(C(=O)CC[C@@H](C)SC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000539153778 938812539 /nfs/dbraw/zinc/81/25/39/938812539.db2.gz LDWJDALAPJYVRZ-CYBMUJFWSA-N 0 0 409.533 4.229 20 5 HIBDRN COc1ccccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000539297344 938835892 /nfs/dbraw/zinc/83/58/92/938835892.db2.gz AAZNTOUKOFGXAL-UHFFFAOYSA-N 0 0 415.515 4.066 20 5 HIBDRN CCNC(=O)c1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000539297475 938835989 /nfs/dbraw/zinc/83/59/89/938835989.db2.gz DNMFQAZWFLVSHX-UHFFFAOYSA-N 0 0 401.488 4.406 20 5 HIBDRN CC[C@H](CSC)NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000539345626 938845856 /nfs/dbraw/zinc/84/58/56/938845856.db2.gz FCKQLYPAYDPGFB-CQSZACIVSA-N 0 0 418.540 4.419 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000539349144 938846418 /nfs/dbraw/zinc/84/64/18/938846418.db2.gz RXJNHGUTIKEPGO-MRXNPFEDSA-N 0 0 424.478 4.060 20 5 HIBDRN CN(C(=O)Cc1ccn(-c2ccccc2)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539349793 938846570 /nfs/dbraw/zinc/84/65/70/938846570.db2.gz YIDHYJQAGCQMEI-UHFFFAOYSA-N 0 0 419.466 4.110 20 5 HIBDRN CCCn1ncc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1C1CC1 ZINC000539355627 938847339 /nfs/dbraw/zinc/84/73/39/938847339.db2.gz JXLOQPLCGTWYTH-UHFFFAOYSA-N 0 0 411.487 4.479 20 5 HIBDRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000539370313 938850515 /nfs/dbraw/zinc/85/05/15/938850515.db2.gz GVCARLFEBLUESB-STQMWFEESA-N 0 0 419.275 4.444 20 5 HIBDRN C[C@H](NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000539409345 938856452 /nfs/dbraw/zinc/85/64/52/938856452.db2.gz SDMWLLLJGYMAET-VIFPVBQESA-N 0 0 402.300 4.289 20 5 HIBDRN O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000539444823 938861679 /nfs/dbraw/zinc/86/16/79/938861679.db2.gz NGBZNFIWFZXKGJ-GOEBONIOSA-N 0 0 416.302 4.152 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000539444815 938861738 /nfs/dbraw/zinc/86/17/38/938861738.db2.gz NGBZNFIWFZXKGJ-GDBMZVCRSA-N 0 0 416.302 4.152 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCO[C@H](c2cccc(F)c2)C1 ZINC000539446910 938861836 /nfs/dbraw/zinc/86/18/36/938861836.db2.gz USQURFHIUDBNRD-IBGZPJMESA-N 0 0 407.401 4.010 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1OC ZINC000539499199 938869271 /nfs/dbraw/zinc/86/92/71/938869271.db2.gz GFFVVOZXMYSDQC-QGZVFWFLSA-N 0 0 414.458 4.053 20 5 HIBDRN CN(C(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000539508881 938870829 /nfs/dbraw/zinc/87/08/29/938870829.db2.gz BGUDKACHYMEVFW-HKUYNNGSSA-N 0 0 401.260 4.224 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)c1 ZINC000539517492 938872272 /nfs/dbraw/zinc/87/22/72/938872272.db2.gz LAOPFTFLMNLZNF-UHFFFAOYSA-N 0 0 419.356 4.243 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(Br)c(F)cc2F)c1 ZINC000539553925 938879121 /nfs/dbraw/zinc/87/91/21/938879121.db2.gz FPOJKHOJXGSQQW-UHFFFAOYSA-N 0 0 415.190 4.352 20 5 HIBDRN CC(C)(C)Cc1csc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC000539585181 938883849 /nfs/dbraw/zinc/88/38/49/938883849.db2.gz UBFYQBONFTXGPE-UHFFFAOYSA-N 0 0 400.460 4.206 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC(F)(c3cccc(Cl)c3)C2)c1 ZINC000539588682 938884227 /nfs/dbraw/zinc/88/42/27/938884227.db2.gz FWVGGTAFOUVBTK-UHFFFAOYSA-N 0 0 406.841 4.469 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cccc(F)c1 ZINC000563552753 945212633 /nfs/dbraw/zinc/21/26/33/945212633.db2.gz ZVKMUSHDRZMXKB-UHFFFAOYSA-N 0 0 413.453 4.055 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000539617428 938888616 /nfs/dbraw/zinc/88/86/16/938888616.db2.gz ABIOCSZBHJFFCQ-UHFFFAOYSA-N 0 0 401.444 4.184 20 5 HIBDRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)nnc1-c1cccc(C)c1 ZINC000539651627 938894181 /nfs/dbraw/zinc/89/41/81/938894181.db2.gz XQQDGXLTQPUWAO-UHFFFAOYSA-N 0 0 411.487 4.221 20 5 HIBDRN O=C(Nc1ccccc1Nc1ccc(F)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000539698179 938905196 /nfs/dbraw/zinc/90/51/96/938905196.db2.gz RBGARYIOCPPESF-UHFFFAOYSA-N 0 0 418.388 4.311 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC[C@H]2C2CCOCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000539702225 938906495 /nfs/dbraw/zinc/90/64/95/938906495.db2.gz QVIQMOQPJHSBMP-KKSFZXQISA-N 0 0 424.501 4.194 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539701740 938906730 /nfs/dbraw/zinc/90/67/30/938906730.db2.gz BGXZTXCPUNUBCJ-RBUKOAKNSA-N 0 0 420.872 4.045 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000563558639 945215532 /nfs/dbraw/zinc/21/55/32/945215532.db2.gz WYXJEHWMQVUNFT-NSHDSACASA-N 0 0 413.293 4.324 20 5 HIBDRN Cc1ccc(S(=O)(=O)n2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1C(F)(F)F ZINC000539764281 938929182 /nfs/dbraw/zinc/92/91/82/938929182.db2.gz KWGBBUYSBXNSGU-UHFFFAOYSA-N 0 0 411.361 4.023 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)ccc1Br ZINC000539793350 938936213 /nfs/dbraw/zinc/93/62/13/938936213.db2.gz ZWEOHTCRHDUKNB-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN O=C(Cc1ccc(F)c(Br)c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539794886 938936678 /nfs/dbraw/zinc/93/66/78/938936678.db2.gz ZMTBDMVCHMBAHM-UHFFFAOYSA-N 0 0 415.646 4.051 20 5 HIBDRN COc1cc(CN2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000539826424 938948441 /nfs/dbraw/zinc/94/84/41/938948441.db2.gz ILMPJVPUCINNTB-UHFFFAOYSA-N 0 0 422.485 4.285 20 5 HIBDRN COc1ccc(OCc2ccccn2)c(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000539830209 938949808 /nfs/dbraw/zinc/94/98/08/938949808.db2.gz IDYQNTWAJKEBNV-UHFFFAOYSA-N 0 0 405.454 4.136 20 5 HIBDRN Cc1ccc(Cn2cccc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)c2=O)cc1 ZINC000539874043 938963094 /nfs/dbraw/zinc/96/30/94/938963094.db2.gz LKJHLIRINNZKLS-UHFFFAOYSA-N 0 0 405.454 4.291 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(COc3ccccc3)c2)s1 ZINC000539889798 938967557 /nfs/dbraw/zinc/96/75/57/938967557.db2.gz HNIGCIGTKPWEHX-UHFFFAOYSA-N 0 0 418.496 4.251 20 5 HIBDRN CCCOc1ccc(Oc2ncccc2CNc2c([N+](=O)[O-])c(CC)nn2C)cc1 ZINC000539890469 938967718 /nfs/dbraw/zinc/96/77/18/938967718.db2.gz XCRIDXYXIBDCKY-UHFFFAOYSA-N 0 0 411.462 4.479 20 5 HIBDRN CC1(C)CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c2ccccc21 ZINC000539915379 938977678 /nfs/dbraw/zinc/97/76/78/938977678.db2.gz VALBZGYDRMWBOC-HNNXBMFYSA-N 0 0 414.527 4.264 20 5 HIBDRN C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000539939713 938979536 /nfs/dbraw/zinc/97/95/36/938979536.db2.gz BPWBOGSRMJBEQP-RISCZKNCSA-N 0 0 408.813 4.221 20 5 HIBDRN Cc1cccc(C2=CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000539976004 939028530 /nfs/dbraw/zinc/02/85/30/939028530.db2.gz WDRRGPLLBZKGDR-UHFFFAOYSA-N 0 0 402.454 4.233 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000563608111 945224892 /nfs/dbraw/zinc/22/48/92/945224892.db2.gz WNAVBZCHTNWLNP-UHFFFAOYSA-N 0 0 416.865 4.081 20 5 HIBDRN COC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)c(F)c1 ZINC000540229952 939149131 /nfs/dbraw/zinc/14/91/31/939149131.db2.gz KSTHGONRQXOCRN-MRXNPFEDSA-N 0 0 419.409 4.114 20 5 HIBDRN O=C(NC1CC1)c1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)cc1 ZINC000563643918 945231028 /nfs/dbraw/zinc/23/10/28/945231028.db2.gz YXLWKTQDJADHEX-UHFFFAOYSA-N 0 0 418.331 4.223 20 5 HIBDRN CC[C@@H](CSC)Nc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] ZINC000540336398 939198674 /nfs/dbraw/zinc/19/86/74/939198674.db2.gz 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ZINC000542032349 939693472 /nfs/dbraw/zinc/69/34/72/939693472.db2.gz KMJBYCREDYZUOU-UHFFFAOYSA-N 0 0 418.500 4.461 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000542064092 939701973 /nfs/dbraw/zinc/70/19/73/939701973.db2.gz OHAQJMJEASJGED-GOSISDBHSA-N 0 0 419.359 4.309 20 5 HIBDRN CC(C)(C)Oc1c(F)cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1F ZINC000542071522 939702657 /nfs/dbraw/zinc/70/26/57/939702657.db2.gz KGTNBTOMOOSCKI-UHFFFAOYSA-N 0 0 408.357 4.074 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000542079852 939704115 /nfs/dbraw/zinc/70/41/15/939704115.db2.gz AIUALLRVKSRJGF-LBPRGKRZSA-N 0 0 424.284 4.159 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)OCC)nc1 ZINC000542079845 939704171 /nfs/dbraw/zinc/70/41/71/939704171.db2.gz AEVITHOIKQVTTJ-UHFFFAOYSA-N 0 0 403.460 4.311 20 5 HIBDRN CC(C)(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542092989 939708278 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ZINC000545145885 940550689 /nfs/dbraw/zinc/55/06/89/940550689.db2.gz SIEZXFIGAFMYCV-UHFFFAOYSA-N 0 0 410.411 4.356 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000545149382 940551059 /nfs/dbraw/zinc/55/10/59/940551059.db2.gz VGDSODLKCLAHSR-HNNXBMFYSA-N 0 0 419.428 4.380 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000545163725 940553209 /nfs/dbraw/zinc/55/32/09/940553209.db2.gz UTMAEWQAKSEHDX-UHFFFAOYSA-N 0 0 413.449 4.323 20 5 HIBDRN Cc1ncc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000545253484 940558909 /nfs/dbraw/zinc/55/89/09/940558909.db2.gz VEKYHZSBKSZTOQ-ZDUSSCGKSA-N 0 0 418.457 4.391 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1c(-c2ccccc2)nc2ccccn21 ZINC000545288156 940560197 /nfs/dbraw/zinc/56/01/97/940560197.db2.gz BJFJWELRLOMCQS-UHFFFAOYSA-N 0 0 402.410 4.317 20 5 HIBDRN CCC[C@H](C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)c1ccccc1 ZINC000545332443 940562258 /nfs/dbraw/zinc/56/22/58/940562258.db2.gz MBDWIVVVGPMGDI-IBGZPJMESA-N 0 0 421.501 4.094 20 5 HIBDRN CN(Cc1ccccc1)c1ccccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545381016 940567458 /nfs/dbraw/zinc/56/74/58/940567458.db2.gz SJVIKRVYYRRSRC-UHFFFAOYSA-N 0 0 411.483 4.173 20 5 HIBDRN COc1cc(OC)cc(N2CC[C@@H](CNc3ccc([N+](=O)[O-])cc3OC(F)F)C2)c1 ZINC000545475166 940571275 /nfs/dbraw/zinc/57/12/75/940571275.db2.gz YGTICXFDXCKLHH-ZDUSSCGKSA-N 0 0 423.416 4.152 20 5 HIBDRN COc1ccc(Cl)cc1-c1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)n[nH]1 ZINC000545487887 940571808 /nfs/dbraw/zinc/57/18/08/940571808.db2.gz HIEVSDIUZBJTLH-UHFFFAOYSA-N 0 0 411.805 4.381 20 5 HIBDRN C/C(=C/c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000545537448 940573845 /nfs/dbraw/zinc/57/38/45/940573845.db2.gz DYRXDRZFNUANEQ-BENRWUELSA-N 0 0 419.846 4.166 20 5 HIBDRN CCOc1cc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)cc(OCC)c1OCC ZINC000545548805 940574314 /nfs/dbraw/zinc/57/43/14/940574314.db2.gz 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CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000548950491 941132601 /nfs/dbraw/zinc/13/26/01/941132601.db2.gz QMXGWBJMXVHXOA-UHFFFAOYSA-N 0 0 418.877 4.125 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1)C(C)C ZINC000548954778 941133420 /nfs/dbraw/zinc/13/34/20/941133420.db2.gz QUONCNNHRLXHEX-UHFFFAOYSA-N 0 0 412.490 4.058 20 5 HIBDRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000548964662 941135080 /nfs/dbraw/zinc/13/50/80/941135080.db2.gz WJRVHSBUHHPWHN-UXHICEINSA-N 0 0 414.465 4.384 20 5 HIBDRN CCCOc1ccc([C@H](C)NC(=O)c2cc(OCC)ccc2[N+](=O)[O-])cc1OC ZINC000548966512 941135310 /nfs/dbraw/zinc/13/53/10/941135310.db2.gz VMUFHPYKSOGHFE-AWEZNQCLSA-N 0 0 402.447 4.282 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000548980418 941138279 /nfs/dbraw/zinc/13/82/79/941138279.db2.gz LGAPPFCTJPCCCW-UHFFFAOYSA-N 0 0 406.236 4.092 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2Sc2nccn2C)c1 ZINC000549008583 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QCLDDCIYOUJJIY-UHFFFAOYSA-N 0 0 402.447 4.062 20 5 HIBDRN O=[N+]([O-])c1c(NCCCS(=O)(=O)c2ccc(Cl)cc2)ccc2ncccc21 ZINC000549285493 941176908 /nfs/dbraw/zinc/17/69/08/941176908.db2.gz IZUSOXAJOQEKHO-UHFFFAOYSA-N 0 0 405.863 4.072 20 5 HIBDRN CCc1nc2cc(CNC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)ccc2n1C1CC1 ZINC000549313236 941179212 /nfs/dbraw/zinc/17/92/12/941179212.db2.gz ICDMSINNTWHBOP-UHFFFAOYSA-N 0 0 417.469 4.182 20 5 HIBDRN O=C(NCc1cccnc1OC1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549340199 941181196 /nfs/dbraw/zinc/18/11/96/941181196.db2.gz YJPMNEOOFFNLFE-UHFFFAOYSA-N 0 0 409.364 4.260 20 5 HIBDRN CN(C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000549398127 941185974 /nfs/dbraw/zinc/18/59/74/941185974.db2.gz YNFIRLLNMXAJKE-QMMLZNLJSA-N 0 0 407.470 4.031 20 5 HIBDRN CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000549398129 941186103 /nfs/dbraw/zinc/18/61/03/941186103.db2.gz YNFIRLLNMXAJKE-WMQCIHAUSA-N 0 0 407.470 4.031 20 5 HIBDRN O=C(NCCCCOc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549485881 941195546 /nfs/dbraw/zinc/19/55/46/941195546.db2.gz OLKKNEOXRWOPPP-UHFFFAOYSA-N 0 0 400.328 4.342 20 5 HIBDRN CCOc1cc(N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000549644363 941202638 /nfs/dbraw/zinc/20/26/38/941202638.db2.gz NGSNXIOFZQVENA-KDOFPFPSSA-N 0 0 401.438 4.297 20 5 HIBDRN CC1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)CC(C)(C)C1 ZINC000549695983 941204905 /nfs/dbraw/zinc/20/49/05/941204905.db2.gz DVKDPDYPJQKZAC-INIZCTEOSA-N 0 0 413.522 4.152 20 5 HIBDRN O=C(COc1ccc(F)cc1[N+](=O)[O-])N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000549706859 941205228 /nfs/dbraw/zinc/20/52/28/941205228.db2.gz MQWDZOKVYYRCGA-HXUWFJFHSA-N 0 0 406.413 4.287 20 5 HIBDRN CC(C)(C)[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)C1 ZINC000549998815 941262509 /nfs/dbraw/zinc/26/25/09/941262509.db2.gz XFUAWKWZQGDTMZ-IEBWSBKVSA-N 0 0 413.522 4.295 20 5 HIBDRN Cc1cc(C)cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)c1 ZINC000550036933 941270837 /nfs/dbraw/zinc/27/08/37/941270837.db2.gz LENCUANAASAABQ-GOSISDBHSA-N 0 0 421.501 4.143 20 5 HIBDRN C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000550112629 941286168 /nfs/dbraw/zinc/28/61/68/941286168.db2.gz HBPLPTOPWUDQJX-CQSZACIVSA-N 0 0 423.391 4.012 20 5 HIBDRN CCC(=O)c1cc(Cl)cc(Cl)c1OC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000550138692 941288911 /nfs/dbraw/zinc/28/89/11/941288911.db2.gz MDDVDJNAHUOOGD-ZDUSSCGKSA-N 0 0 414.241 4.313 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1cccc2cccnc21 ZINC000550213205 941299675 /nfs/dbraw/zinc/29/96/75/941299675.db2.gz HQQYWSMSUVMKCM-UHFFFAOYSA-N 0 0 400.232 4.144 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000550263668 941305816 /nfs/dbraw/zinc/30/58/16/941305816.db2.gz RPAHMLMEZYTIKG-UHFFFAOYSA-N 0 0 418.247 4.045 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CC1CCC1)CC(F)(F)F ZINC000550285013 941309393 /nfs/dbraw/zinc/30/93/93/941309393.db2.gz YAQORNCJQSHYPJ-UHFFFAOYSA-N 0 0 409.202 4.470 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC[C@H](CO)CC1 ZINC000550489211 941332253 /nfs/dbraw/zinc/33/22/53/941332253.db2.gz DRWJFUNZZFWLIH-YWZLYKJASA-N 0 0 417.893 4.022 20 5 HIBDRN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000550568511 941340430 /nfs/dbraw/zinc/34/04/30/941340430.db2.gz MNNCMHBPJIQKEX-OAHLLOKOSA-N 0 0 414.531 4.164 20 5 HIBDRN COc1cccc2c1CC[C@H]2NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550658641 941350959 /nfs/dbraw/zinc/35/09/59/941350959.db2.gz AVQGSGGVGHXITD-MRXNPFEDSA-N 0 0 405.248 4.092 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n(-c2ccccc2)n1 ZINC000550686012 941354210 /nfs/dbraw/zinc/35/42/10/941354210.db2.gz YALTYSVCKIMDJI-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000550693594 941354661 /nfs/dbraw/zinc/35/46/61/941354661.db2.gz RFZYUZWPPFJFHT-HNNXBMFYSA-N 0 0 402.516 4.426 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCc2c([nH]c3ccccc32)C1 ZINC000550699507 941355603 /nfs/dbraw/zinc/35/56/03/941355603.db2.gz XFEPKIZZIXNTBX-UHFFFAOYSA-N 0 0 414.259 4.346 20 5 HIBDRN Cc1ccccc1-c1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)n(Cc2ccccc2)n1 ZINC000550949160 941384585 /nfs/dbraw/zinc/38/45/85/941384585.db2.gz DNIKBDRQKYGHCD-UHFFFAOYSA-N 0 0 401.426 4.395 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000550987536 941390975 /nfs/dbraw/zinc/39/09/75/941390975.db2.gz NJVWXOAUTSTCEX-UHFFFAOYSA-N 0 0 414.643 4.070 20 5 HIBDRN O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc([N+](=O)[O-])cc1Br ZINC000551052539 941401314 /nfs/dbraw/zinc/40/13/14/941401314.db2.gz JJFAYRVXMZGFFK-UHFFFAOYSA-N 0 0 415.203 4.192 20 5 HIBDRN O=C(Nc1cccc(-c2ccccc2)c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000551078383 941405336 /nfs/dbraw/zinc/40/53/36/941405336.db2.gz UJNQKWFJHRCMLF-UHFFFAOYSA-N 0 0 415.449 4.392 20 5 HIBDRN C[C@@H](CO)NC(=O)c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000551090649 941407912 /nfs/dbraw/zinc/40/79/12/941407912.db2.gz CSSILIZPLFBFPK-AWEZNQCLSA-N 0 0 411.483 4.046 20 5 HIBDRN CC[C@@H](C)Oc1cccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000551101469 941409892 /nfs/dbraw/zinc/40/98/92/941409892.db2.gz WEOBOXKNPFVXQY-MRXNPFEDSA-N 0 0 413.474 4.148 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1OCC(F)(F)F ZINC000551192973 941425501 /nfs/dbraw/zinc/42/55/01/941425501.db2.gz LUTQNBZDNDYNAF-UHFFFAOYSA-N 0 0 401.316 4.039 20 5 HIBDRN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ncc(Br)cn1 ZINC000551211247 941428403 /nfs/dbraw/zinc/42/84/03/941428403.db2.gz GRCRFYXFASRUHY-AAEUAGOBSA-N 0 0 411.325 4.369 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(-c4nccc5[nH]ccc54)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000551435655 941478673 /nfs/dbraw/zinc/47/86/73/941478673.db2.gz QGMJDPFJRIDQTB-UHFFFAOYSA-N 0 0 415.413 4.050 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cn1 ZINC000551467899 941485780 /nfs/dbraw/zinc/48/57/80/941485780.db2.gz TVNDJBUWAGXPIT-UHFFFAOYSA-N 0 0 410.424 4.180 20 5 HIBDRN CCOc1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl ZINC000551650102 941518788 /nfs/dbraw/zinc/51/87/88/941518788.db2.gz DMLHKDOHHPYBEH-UHFFFAOYSA-N 0 0 417.893 4.180 20 5 HIBDRN O=C(CN1CCC=C(c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000551710421 941530646 /nfs/dbraw/zinc/53/06/46/941530646.db2.gz WSENGZUZSORIEZ-UHFFFAOYSA-N 0 0 416.275 4.085 20 5 HIBDRN O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000551808509 941549642 /nfs/dbraw/zinc/54/96/42/941549642.db2.gz MGEBUQBGCJEQSA-UHFFFAOYSA-N 0 0 408.410 4.312 20 5 HIBDRN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000552058452 941576634 /nfs/dbraw/zinc/57/66/34/941576634.db2.gz JZNVZCKPKXVDGL-NSISKUIASA-N 0 0 408.458 4.086 20 5 HIBDRN COc1ccc(CC(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000552242715 941612486 /nfs/dbraw/zinc/61/24/86/941612486.db2.gz 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COc1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1OC(F)F ZINC000552394237 941655416 /nfs/dbraw/zinc/65/54/16/941655416.db2.gz IBSRGZGZOQFCEP-UHFFFAOYSA-N 0 0 417.162 4.220 20 5 HIBDRN CSc1ccc(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000552468671 941679482 /nfs/dbraw/zinc/67/94/82/941679482.db2.gz AAPKMMSRENIONL-UHFFFAOYSA-N 0 0 407.879 4.049 20 5 HIBDRN Cc1ccc(-n2nc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c3c2CCC3)c(F)c1 ZINC000552613662 941724304 /nfs/dbraw/zinc/72/43/04/941724304.db2.gz QQRLXYNMROWIKD-UHFFFAOYSA-N 0 0 422.460 4.031 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)cc1[N+](=O)[O-] ZINC000552739151 941748755 /nfs/dbraw/zinc/74/87/55/941748755.db2.gz HOXWDUOLZIACQG-UHFFFAOYSA-N 0 0 405.401 4.085 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1(c2cccc(F)c2)CCOCC1 ZINC000552746344 941751318 /nfs/dbraw/zinc/75/13/18/941751318.db2.gz FAPSMOZMMBOULH-UHFFFAOYSA-N 0 0 423.238 4.183 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2NCCNc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000552908405 941801643 /nfs/dbraw/zinc/80/16/43/941801643.db2.gz XRKWGKZPAWRLTC-UHFFFAOYSA-N 0 0 418.788 4.191 20 5 HIBDRN CC(=O)c1cc(N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)ccc1[N+](=O)[O-] ZINC000552959235 941808864 /nfs/dbraw/zinc/80/88/64/941808864.db2.gz VSMVEJBGNIYEJU-UHFFFAOYSA-N 0 0 422.268 4.067 20 5 HIBDRN Cc1cccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1 ZINC000553067518 941827769 /nfs/dbraw/zinc/82/77/69/941827769.db2.gz YIGIXNVNZKQUBD-UHFFFAOYSA-N 0 0 404.470 4.273 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(Cl)c1 ZINC000553102150 941833327 /nfs/dbraw/zinc/83/33/27/941833327.db2.gz BTHBQPDPTGQIRP-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1cccc2nc(C3CCN(c4nc5ccc([N+](=O)[O-])cc5c(=O)[nH]4)CC3)oc21 ZINC000553195705 941847362 /nfs/dbraw/zinc/84/73/62/941847362.db2.gz HKZZTCDLFITFNQ-UHFFFAOYSA-N 0 0 405.414 4.077 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)c2ncnc3sc([N+](=O)[O-])cc32)cc1 ZINC000553209706 941849789 /nfs/dbraw/zinc/84/97/89/941849789.db2.gz WUMMZHFRMWYOQT-UHFFFAOYSA-N 0 0 421.482 4.252 20 5 HIBDRN CN(c1ccc(Oc2c(F)cccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1F ZINC000553237367 941854780 /nfs/dbraw/zinc/85/47/80/941854780.db2.gz XLDQMWISAUQZJR-UHFFFAOYSA-N 0 0 420.393 4.490 20 5 HIBDRN CCOc1ccc([C@H](C)Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1OCC ZINC000553249332 941856227 /nfs/dbraw/zinc/85/62/27/941856227.db2.gz FHRAKHCBTSCLKJ-ZDUSSCGKSA-N 0 0 403.435 4.055 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2N[C@H]2COc3cc(F)c(Br)cc32)s1 ZINC000553250349 941856677 /nfs/dbraw/zinc/85/66/77/941856677.db2.gz WZMHDZPANMNVSI-JTQLQIEISA-N 0 0 411.212 4.047 20 5 HIBDRN Cc1cc(Br)c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000553287504 941860972 /nfs/dbraw/zinc/86/09/72/941860972.db2.gz SZGLTYGTQCMLIC-UHFFFAOYSA-N 0 0 413.655 4.128 20 5 HIBDRN CCOc1cc(CN(C)c2ncnc3sc([N+](=O)[O-])cc32)ccc1OC(F)F ZINC000553309165 941865161 /nfs/dbraw/zinc/86/51/61/941865161.db2.gz UOTADIZJTZXYEW-UHFFFAOYSA-N 0 0 410.402 4.236 20 5 HIBDRN COc1cc(C(=O)NCc2ccc(-c3ccccc3)cc2F)cc([N+](=O)[O-])c1OC ZINC000553325606 941868007 /nfs/dbraw/zinc/86/80/07/941868007.db2.gz SKYHQVBXWMFDOW-UHFFFAOYSA-N 0 0 410.401 4.348 20 5 HIBDRN CNc1c(C(=O)N2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000553379020 941876210 /nfs/dbraw/zinc/87/62/10/941876210.db2.gz FXJWQRZRTBJHGQ-SJKOYZFVSA-N 0 0 423.391 4.258 20 5 HIBDRN COc1cc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000553382803 941877088 /nfs/dbraw/zinc/87/70/88/941877088.db2.gz VQIBLSFZOIOHQY-SGTLLEGYSA-N 0 0 424.375 4.224 20 5 HIBDRN O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000553431679 941883553 /nfs/dbraw/zinc/88/35/53/941883553.db2.gz VREFOWIKMLNQTP-HNNXBMFYSA-N 0 0 403.649 4.409 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000553431066 941883564 /nfs/dbraw/zinc/88/35/64/941883564.db2.gz FIOLRPSXHVTKJK-KRWDZBQOSA-N 0 0 422.268 4.096 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000553433871 941883892 /nfs/dbraw/zinc/88/38/92/941883892.db2.gz WMMCQSFHSKBDPC-KRWDZBQOSA-N 0 0 422.268 4.165 20 5 HIBDRN CC[C@H](O)CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000553464874 941889445 /nfs/dbraw/zinc/88/94/45/941889445.db2.gz QGDOGMOZKPYOAF-LBPRGKRZSA-N 0 0 414.405 4.266 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@H](C)c2ccc(OCC3CC3)c(F)c2)c1[N+](=O)[O-] ZINC000553482632 941892795 /nfs/dbraw/zinc/89/27/95/941892795.db2.gz JOMGPTMCSWFYEW-GFCCVEGCSA-N 0 0 403.410 4.186 20 5 HIBDRN Cc1cc(Br)cc(C)c1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000553499307 941896909 /nfs/dbraw/zinc/89/69/09/941896909.db2.gz AHSOWEQOLOGZSZ-UHFFFAOYSA-N 0 0 420.307 4.358 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)c1[N+](=O)[O-] ZINC000553508263 941899108 /nfs/dbraw/zinc/89/91/08/941899108.db2.gz KSKOHCONPIMJPM-INIZCTEOSA-N 0 0 421.295 4.257 20 5 HIBDRN CC(=O)c1cc(NCc2cnn(-c3ccc(Br)cc3)c2)ccc1[N+](=O)[O-] ZINC000553568099 941910908 /nfs/dbraw/zinc/91/09/08/941910908.db2.gz WWNAGJMPSYBUIK-UHFFFAOYSA-N 0 0 415.247 4.358 20 5 HIBDRN COc1ccccc1-c1nc(C2CCN(c3ccc([N+](=O)[O-])c(C(C)=O)c3)CC2)no1 ZINC000553579064 941912957 /nfs/dbraw/zinc/91/29/57/941912957.db2.gz VOADQYUOMFMDOY-UHFFFAOYSA-N 0 0 422.441 4.240 20 5 HIBDRN Cc1cc(N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553598201 941917026 /nfs/dbraw/zinc/91/70/26/941917026.db2.gz AVXQCFJLXXVKCJ-YPAWHYETSA-N 0 0 416.481 4.369 20 5 HIBDRN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000553646377 941931498 /nfs/dbraw/zinc/93/14/98/941931498.db2.gz PNYIWFIJSKYXGP-GFCCVEGCSA-N 0 0 411.355 4.104 20 5 HIBDRN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000553648772 941932452 /nfs/dbraw/zinc/93/24/52/941932452.db2.gz NNRTZXZPNMMEHU-GFCCVEGCSA-N 0 0 411.355 4.104 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 ZINC000553687597 941943948 /nfs/dbraw/zinc/94/39/48/941943948.db2.gz VSAPBQHCJYAUNM-LLVKDONJSA-N 0 0 400.403 4.163 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCC1(F)CCC1 ZINC000553724760 941953153 /nfs/dbraw/zinc/95/31/53/941953153.db2.gz AZGSHTLLUMDMKK-UHFFFAOYSA-N 0 0 422.460 4.389 20 5 HIBDRN COc1cccc(C(=O)Nc2nc3c(cccc3Br)s2)c1[N+](=O)[O-] ZINC000553748393 941958484 /nfs/dbraw/zinc/95/84/84/941958484.db2.gz RYHAQDYBLVXCTG-UHFFFAOYSA-N 0 0 408.233 4.228 20 5 HIBDRN COc1cc(C(=O)N(C)C[C@H](C)OC)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000553762646 941962135 /nfs/dbraw/zinc/96/21/35/941962135.db2.gz NOILAIJMKRXRRS-LBPRGKRZSA-N 0 0 408.838 4.156 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000553778328 941966081 /nfs/dbraw/zinc/96/60/81/941966081.db2.gz IDVWXJFCKSIMKF-NSHDSACASA-N 0 0 410.348 4.046 20 5 HIBDRN C[C@@H](NC(=O)NCc1ccncc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000553806444 941973255 /nfs/dbraw/zinc/97/32/55/941973255.db2.gz GSEFMTZRLIVXIJ-MRXNPFEDSA-N 0 0 406.442 4.129 20 5 HIBDRN Cc1ccc(NCc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCCC1 ZINC000553836281 941980375 /nfs/dbraw/zinc/98/03/75/941980375.db2.gz LITWIVMRXQCHCN-UHFFFAOYSA-N 0 0 403.504 4.080 20 5 HIBDRN C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1OCCc2sccc21 ZINC000553859259 941985196 /nfs/dbraw/zinc/98/51/96/941985196.db2.gz RLQZRBQMQWKJCA-RFAUZJTJSA-N 0 0 400.378 4.107 20 5 HIBDRN COc1cc(C(=O)NCc2cccc(OCc3ccccc3)c2)cc([N+](=O)[O-])c1OC ZINC000554004885 942017672 /nfs/dbraw/zinc/01/76/72/942017672.db2.gz VROJUGVLWQDPSY-UHFFFAOYSA-N 0 0 422.437 4.121 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000554024334 942021363 /nfs/dbraw/zinc/02/13/63/942021363.db2.gz AEGYHKNORWNETB-KRWDZBQOSA-N 0 0 403.866 4.346 20 5 HIBDRN Cc1ccccc1NC(=O)Cc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000554061037 942027424 /nfs/dbraw/zinc/02/74/24/942027424.db2.gz MXNJAVWZRHFXSI-UHFFFAOYSA-N 0 0 421.438 4.258 20 5 HIBDRN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000554075096 942030645 /nfs/dbraw/zinc/03/06/45/942030645.db2.gz QEAZJVTWWWAFPU-FZKQIMNGSA-N 0 0 414.849 4.260 20 5 HIBDRN COc1ccc2c(c1)CCC[C@@H]2N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554181153 942059357 /nfs/dbraw/zinc/05/93/57/942059357.db2.gz QQKWVEFHKKRZKB-IBGZPJMESA-N 0 0 403.866 4.205 20 5 HIBDRN C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1OCCc2sccc21 ZINC000554205723 942065959 /nfs/dbraw/zinc/06/59/59/942065959.db2.gz ROELTIUFSHRDLA-DMZKTXOQSA-N 0 0 404.491 4.175 20 5 HIBDRN Cc1cnc(COCC(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)o1 ZINC000554677336 942195528 /nfs/dbraw/zinc/19/55/28/942195528.db2.gz VSUDWCUILCMLHM-UHFFFAOYSA-N 0 0 400.438 4.401 20 5 HIBDRN C[C@H]1C[C@@H](CCNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000554739309 942217159 /nfs/dbraw/zinc/21/71/59/942217159.db2.gz XBAXQMWZRNBICG-HOTGVXAUSA-N 0 0 419.503 4.013 20 5 HIBDRN O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000554778387 942233082 /nfs/dbraw/zinc/23/30/82/942233082.db2.gz JKVNTZGXENCIEM-UHFFFAOYSA-N 0 0 403.803 4.353 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000554779489 942233761 /nfs/dbraw/zinc/23/37/61/942233761.db2.gz BRMNDBHIRZFZIH-GOSISDBHSA-N 0 0 424.375 4.026 20 5 HIBDRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000554891204 942310229 /nfs/dbraw/zinc/31/02/29/942310229.db2.gz OESIPMOANTWJLB-MOPGFXCFSA-N 0 0 417.469 4.127 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000554975700 942339844 /nfs/dbraw/zinc/33/98/44/942339844.db2.gz NYECSRJBTWPSHC-UHFFFAOYSA-N 0 0 419.485 4.278 20 5 HIBDRN C[C@@H]1C[C@@H](CCNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000555000219 942349881 /nfs/dbraw/zinc/34/98/81/942349881.db2.gz XBZMCNXOSQOCIY-FJIDUMEYSA-N 0 0 403.523 4.155 20 5 HIBDRN CCc1nc2cc(CNC(=O)c3cccc(SC)c3[N+](=O)[O-])ccc2n1C1CC1 ZINC000555001218 942350319 /nfs/dbraw/zinc/35/03/19/942350319.db2.gz VYUWHDPNPVGROQ-UHFFFAOYSA-N 0 0 410.499 4.494 20 5 HIBDRN Cc1ccn2cc(-c3ccc(NS(=O)(=O)Cc4ccccc4[N+](=O)[O-])cc3)nc2c1 ZINC000555003483 942350964 /nfs/dbraw/zinc/35/09/64/942350964.db2.gz YVTYPFUSNPVBQD-UHFFFAOYSA-N 0 0 422.466 4.160 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000555008599 942353816 /nfs/dbraw/zinc/35/38/16/942353816.db2.gz CLXLNXAFOJBQGY-INIZCTEOSA-N 0 0 412.490 4.077 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000555037066 942365972 /nfs/dbraw/zinc/36/59/72/942365972.db2.gz XRIACMTTYGLLKP-UHFFFAOYSA-N 0 0 419.437 4.204 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000555037327 942366000 /nfs/dbraw/zinc/36/60/00/942366000.db2.gz PGOKUIDJBFTABJ-LBPRGKRZSA-N 0 0 422.844 4.107 20 5 HIBDRN O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000555075994 942377863 /nfs/dbraw/zinc/37/78/63/942377863.db2.gz GKNSZEPBUAIHBX-OAHLLOKOSA-N 0 0 407.392 4.320 20 5 HIBDRN O=[N+]([O-])c1ccc(NCCCc2nc(-c3ccc(Oc4ncccn4)cc3)no2)cc1 ZINC000555082264 942380768 /nfs/dbraw/zinc/38/07/68/942380768.db2.gz VBVZZUBJWIJDEN-UHFFFAOYSA-N 0 0 418.413 4.272 20 5 HIBDRN COCc1nc(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])cs1 ZINC000555139070 942400239 /nfs/dbraw/zinc/40/02/39/942400239.db2.gz BJLQKJHCMQVTAX-UHFFFAOYSA-N 0 0 412.471 4.371 20 5 HIBDRN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)C1 ZINC000555149839 942405896 /nfs/dbraw/zinc/40/58/96/942405896.db2.gz YEOFIYWGXVMVCN-NRFANRHFSA-N 0 0 421.501 4.153 20 5 HIBDRN CC1(C)CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)CCS1 ZINC000555181077 942420228 /nfs/dbraw/zinc/42/02/28/942420228.db2.gz WUORWAVMZFTTGF-UHFFFAOYSA-N 0 0 409.515 4.233 20 5 HIBDRN Cc1cccc([C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c2ccccn2)c1 ZINC000555188843 942423391 /nfs/dbraw/zinc/42/33/91/942423391.db2.gz JZXFNUNUCUOVQC-JOCHJYFZSA-N 0 0 404.470 4.272 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1ccsc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000555339572 942484025 /nfs/dbraw/zinc/48/40/25/942484025.db2.gz FHFHKVYQLGWNFJ-AWEZNQCLSA-N 0 0 407.293 4.032 20 5 HIBDRN O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555341473 942485146 /nfs/dbraw/zinc/48/51/46/942485146.db2.gz CKVDPSKYZFFWLA-UHFFFAOYSA-N 0 0 422.281 4.485 20 5 HIBDRN CN(Cc1c(F)cccc1F)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000555418796 942523978 /nfs/dbraw/zinc/52/39/78/942523978.db2.gz OKZMJKVBKRLGNX-UHFFFAOYSA-N 0 0 411.213 4.001 20 5 HIBDRN O=C(NCc1ccccc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555420980 942525544 /nfs/dbraw/zinc/52/55/44/942525544.db2.gz RRSDZYHLVPOKTH-UHFFFAOYSA-N 0 0 422.281 4.485 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1ccc(Br)cn1 ZINC000555511953 942616213 /nfs/dbraw/zinc/61/62/13/942616213.db2.gz ZYOHEDYZUYIYQN-KRWDZBQOSA-N 0 0 406.280 4.488 20 5 HIBDRN Cc1cc(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)ccc1[N+](=O)[O-] ZINC000555527331 942626594 /nfs/dbraw/zinc/62/65/94/942626594.db2.gz WIRWOPZAUWEKMV-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN C[C@@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccc2ccccc21 ZINC000555692387 942703104 /nfs/dbraw/zinc/70/31/04/942703104.db2.gz YNMVCBQHPAUPDQ-MRXNPFEDSA-N 0 0 417.465 4.116 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)[C@@H]2OCCc3sccc32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555773305 942726807 /nfs/dbraw/zinc/72/68/07/942726807.db2.gz QYMIJZINNLYNET-DJJJIMSYSA-N 0 0 412.471 4.039 20 5 HIBDRN CC(C)(C)c1ccc(Oc2ccc(CNc3nnc(CO)s3)cc2[N+](=O)[O-])cc1 ZINC000555771229 942727021 /nfs/dbraw/zinc/72/70/21/942727021.db2.gz VPOXANWSTPCZBH-UHFFFAOYSA-N 0 0 414.487 4.641 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000555839790 942748587 /nfs/dbraw/zinc/74/85/87/942748587.db2.gz UZMIADQGZQOFHX-UHFFFAOYSA-N 0 0 418.247 4.267 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CC(=O)c1ccco1 ZINC000555850150 942753075 /nfs/dbraw/zinc/75/30/75/942753075.db2.gz HHDYXPRNEOLNLQ-LBPRGKRZSA-N 0 0 421.247 4.136 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)c1ccc2ccccc2n1 ZINC000555856197 942755947 /nfs/dbraw/zinc/75/59/47/942755947.db2.gz JDHKUSBPILDFKC-UHFFFAOYSA-N 0 0 400.232 4.491 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000556276050 942830992 /nfs/dbraw/zinc/83/09/92/942830992.db2.gz DTUHNPYJFSMXKX-NSHDSACASA-N 0 0 414.314 4.482 20 5 HIBDRN COc1ccc(CSCc2nc(-c3cccc4[nH]c(C)nc43)no2)cc1[N+](=O)[O-] ZINC000556326189 942841787 /nfs/dbraw/zinc/84/17/87/942841787.db2.gz VMGJDTNOMZXWFY-UHFFFAOYSA-N 0 0 411.443 4.272 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000556428250 942864303 /nfs/dbraw/zinc/86/43/03/942864303.db2.gz GBOOUPRIXZRKLX-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN COCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccc(Cl)c(Cl)c1 ZINC000556470125 942877533 /nfs/dbraw/zinc/87/75/33/942877533.db2.gz WCZAVRZUDZXIKO-OAHLLOKOSA-N 0 0 413.257 4.418 20 5 HIBDRN CCOc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000556472017 942877959 /nfs/dbraw/zinc/87/79/59/942877959.db2.gz QLPBLWYCYMPWDD-UHFFFAOYSA-N 0 0 413.655 4.339 20 5 HIBDRN C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)Sc1ccccc1 ZINC000556563334 942899238 /nfs/dbraw/zinc/89/92/38/942899238.db2.gz FQIATVMHTZYOQY-CQSZACIVSA-N 0 0 415.515 4.128 20 5 HIBDRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000556929016 942970709 /nfs/dbraw/zinc/97/07/09/942970709.db2.gz RKBBCBMGNGAFEW-UHFFFAOYSA-N 0 0 410.392 4.472 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1c[nH]nc1-c1ccccc1F ZINC000557159712 943035290 /nfs/dbraw/zinc/03/52/90/943035290.db2.gz MULGGXPROHJUIY-UHFFFAOYSA-N 0 0 405.183 4.139 20 5 HIBDRN Cc1nn(C)c(Sc2ccccc2)c1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557363154 943087519 /nfs/dbraw/zinc/08/75/19/943087519.db2.gz KAKMSVDGWVNKAA-UHFFFAOYSA-N 0 0 410.499 4.103 20 5 HIBDRN CC(C)(C(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1)n1cc([N+](=O)[O-])cn1 ZINC000557387919 943097165 /nfs/dbraw/zinc/09/71/65/943097165.db2.gz QEIWUFBAPMSNGK-UHFFFAOYSA-N 0 0 403.801 4.020 20 5 HIBDRN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000557399333 943103512 /nfs/dbraw/zinc/10/35/12/943103512.db2.gz MIEORFNZOSHRJQ-LLVKDONJSA-N 0 0 423.395 4.080 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000557409998 943110685 /nfs/dbraw/zinc/11/06/85/943110685.db2.gz CLBSUEDRKPFVAG-SFHVURJKSA-N 0 0 400.385 4.173 20 5 HIBDRN CCCc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000557458167 943139441 /nfs/dbraw/zinc/13/94/41/943139441.db2.gz WIYSODBHHGFZHQ-KGLIPLIRSA-N 0 0 410.396 4.355 20 5 HIBDRN CCOC(=O)C(C)(C)C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000557461413 943142117 /nfs/dbraw/zinc/14/21/17/943142117.db2.gz OTQOREDHSNALQE-UHFFFAOYSA-N 0 0 416.396 4.055 20 5 HIBDRN CCc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1S(N)(=O)=O ZINC000557500089 943171965 /nfs/dbraw/zinc/17/19/65/943171965.db2.gz YUEOZMRKYXGMNP-UHFFFAOYSA-N 0 0 417.512 4.145 20 5 HIBDRN CCCOc1ccccc1Oc1ncccc1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000557508624 943177464 /nfs/dbraw/zinc/17/74/64/943177464.db2.gz SGZMDBHSHSCLMB-UHFFFAOYSA-N 0 0 422.441 4.282 20 5 HIBDRN COC1(C)CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000557571014 943214177 /nfs/dbraw/zinc/21/41/77/943214177.db2.gz HUGALFAMGHOKFZ-LJQANCHMSA-N 0 0 417.893 4.429 20 5 HIBDRN CC(C)(C)CCCCC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000557613296 943232348 /nfs/dbraw/zinc/23/23/48/943232348.db2.gz KTTFDIOZDOBKBF-UHFFFAOYSA-N 0 0 401.511 4.116 20 5 HIBDRN COC(=O)c1cc(C)nc(N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c1[N+](=O)[O-] ZINC000557662003 943252256 /nfs/dbraw/zinc/25/22/56/943252256.db2.gz BUMIQGMUYLPDHL-SFHVURJKSA-N 0 0 421.457 4.207 20 5 HIBDRN COc1cccc(OC(F)(F)F)c1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000557680868 943257334 /nfs/dbraw/zinc/25/73/34/943257334.db2.gz MTHVOSJZPIIHQE-UHFFFAOYSA-N 0 0 418.755 4.394 20 5 HIBDRN CCC1(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CCOCC1 ZINC000557729783 943272816 /nfs/dbraw/zinc/27/28/16/943272816.db2.gz JCNQNPOQWXMEHR-IAGOWNOFSA-N 0 0 403.523 4.014 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCCCOc1ccc(Cl)cc1 ZINC000557750558 943278417 /nfs/dbraw/zinc/27/84/17/943278417.db2.gz OVNWIOBNIYVNJR-UHFFFAOYSA-N 0 0 405.882 4.291 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(OCc2ccccc2)c1 ZINC000557753267 943278975 /nfs/dbraw/zinc/27/89/75/943278975.db2.gz PAYXLIJJMRZOEO-UHFFFAOYSA-N 0 0 412.467 4.189 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000557849369 943311859 /nfs/dbraw/zinc/31/18/59/943311859.db2.gz NXELHVNRGXKJNB-LLVKDONJSA-N 0 0 420.384 4.004 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000557941659 943335477 /nfs/dbraw/zinc/33/54/77/943335477.db2.gz XTEQVLZMDHBERV-AWEZNQCLSA-N 0 0 416.275 4.377 20 5 HIBDRN CSc1ccc(-c2nc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000557965364 943341778 /nfs/dbraw/zinc/34/17/78/943341778.db2.gz LWNOZKQPEFHVHM-UHFFFAOYSA-N 0 0 404.835 4.201 20 5 HIBDRN CC(C)(NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1[N+](=O)[O-] ZINC000557971353 943342802 /nfs/dbraw/zinc/34/28/02/943342802.db2.gz RHNHQVFOKDMAAO-UHFFFAOYSA-N 0 0 414.849 4.282 20 5 HIBDRN CCN(C)C(=O)c1cccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC000558049251 943366632 /nfs/dbraw/zinc/36/66/32/943366632.db2.gz XGHCSBHLLXSLCO-UHFFFAOYSA-N 0 0 404.426 4.001 20 5 HIBDRN COc1cc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1OCC(F)(F)F ZINC000558080325 943374544 /nfs/dbraw/zinc/37/45/44/943374544.db2.gz PEASOGSIBREZGB-UHFFFAOYSA-N 0 0 418.755 4.128 20 5 HIBDRN COc1ccc(CC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000558118146 943384429 /nfs/dbraw/zinc/38/44/29/943384429.db2.gz BFYMNCGDIUOBSA-INIZCTEOSA-N 0 0 406.891 4.193 20 5 HIBDRN Cc1csc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1I ZINC000558274724 943475360 /nfs/dbraw/zinc/47/53/60/943475360.db2.gz FUJYZYZUZCFRAS-UHFFFAOYSA-N 0 0 413.196 4.286 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1OCC(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000558302408 943493403 /nfs/dbraw/zinc/49/34/03/943493403.db2.gz VNXVSLVVFUJZLW-UHFFFAOYSA-N 0 0 422.775 4.330 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCCO[C@H]2c2ccccc2)c(F)c1N1CCOCC1 ZINC000558317179 943503564 /nfs/dbraw/zinc/50/35/64/943503564.db2.gz UGBISNGZHJHMCJ-JTSKRJEESA-N 0 0 415.465 4.150 20 5 HIBDRN COc1cc(Br)ccc1-c1noc(-c2cccc([N+](=O)[O-])c2OC)n1 ZINC000558351247 943521284 /nfs/dbraw/zinc/52/12/84/943521284.db2.gz CEEKMGRPGMBVKC-UHFFFAOYSA-N 0 0 406.192 4.092 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(F)(c2ccccn2)CC1 ZINC000558406845 943550899 /nfs/dbraw/zinc/55/08/99/943550899.db2.gz QPXWUUSINOVKNF-UHFFFAOYSA-N 0 0 412.446 4.214 20 5 HIBDRN COc1ccc(C[C@](C)(O)CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1OC ZINC000558599783 943614120 /nfs/dbraw/zinc/61/41/20/943614120.db2.gz YWVMRQFYXVKJCC-SFHVURJKSA-N 0 0 414.380 4.036 20 5 HIBDRN Cc1sc([C@H](C)Nc2nccc(C(N)=O)c2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000558601341 943614194 /nfs/dbraw/zinc/61/41/94/943614194.db2.gz BOHWYGSMCKJSLG-VIFPVBQESA-N 0 0 417.878 4.347 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(Br)ccc2F)c1 ZINC000558762124 943649581 /nfs/dbraw/zinc/64/95/81/943649581.db2.gz PECXXBPWCDYLGC-UHFFFAOYSA-N 0 0 411.227 4.167 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)nc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000558822856 943679732 /nfs/dbraw/zinc/67/97/32/943679732.db2.gz IHAMLJMWPKNXDM-UHFFFAOYSA-N 0 0 415.352 4.423 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)c1 ZINC000558870477 943711517 /nfs/dbraw/zinc/71/15/17/943711517.db2.gz VNDPZBISAIDNBH-UHFFFAOYSA-N 0 0 422.485 4.377 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 ZINC000558877761 943714608 /nfs/dbraw/zinc/71/46/08/943714608.db2.gz GRUYIOPURSNLSK-UHFFFAOYSA-N 0 0 407.474 4.229 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)Cc1ccc(SC)c(OC)c1 ZINC000558888586 943721947 /nfs/dbraw/zinc/72/19/47/943721947.db2.gz HTMQYASUNDDHME-UHFFFAOYSA-N 0 0 413.503 4.240 20 5 HIBDRN Cc1nc(CN2CCN(c3cc(C)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 ZINC000558893497 943725715 /nfs/dbraw/zinc/72/57/15/943725715.db2.gz SQVVWAQCVFXYOT-UHFFFAOYSA-N 0 0 400.426 4.009 20 5 HIBDRN Cc1cc(NCc2cccc(C(=O)N3CCOCC3)c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000558912220 943743273 /nfs/dbraw/zinc/74/32/73/943743273.db2.gz FYSIKRZDOXDYSC-UHFFFAOYSA-N 0 0 423.391 4.007 20 5 HIBDRN CC(C)Oc1ccc([C@@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000558913816 943744335 /nfs/dbraw/zinc/74/43/35/943744335.db2.gz NUUGOWCTJWVLAW-MRXNPFEDSA-N 0 0 413.474 4.028 20 5 HIBDRN Cc1cc(NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000558920559 943747333 /nfs/dbraw/zinc/74/73/33/943747333.db2.gz SPGTWZOVVRBGIP-OAHLLOKOSA-N 0 0 407.392 4.383 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCOC4(CCCC4)C3)n2Cc2ccccc2)c1 ZINC000558934188 943755552 /nfs/dbraw/zinc/75/55/52/943755552.db2.gz HXRLHDBCZFIHHI-UHFFFAOYSA-N 0 0 419.485 4.051 20 5 HIBDRN CCC(=O)c1ccc(N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c([N+](=O)[O-])c1 ZINC000558952967 943769570 /nfs/dbraw/zinc/76/95/70/943769570.db2.gz GWAYSUVUYGPOOQ-IFXJQAMLSA-N 0 0 413.449 4.491 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC000559042590 943813199 /nfs/dbraw/zinc/81/31/99/943813199.db2.gz TUSZXAJKLKHKFQ-KRWDZBQOSA-N 0 0 401.511 4.152 20 5 HIBDRN COCCO[C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000559072492 943825494 /nfs/dbraw/zinc/82/54/94/943825494.db2.gz KHVULNDDROTSNN-LJQANCHMSA-N 0 0 404.438 4.154 20 5 HIBDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000559074508 943826436 /nfs/dbraw/zinc/82/64/36/943826436.db2.gz NSKYGQPTRJJUFL-GFCCVEGCSA-N 0 0 423.391 4.072 20 5 HIBDRN C[C@@H]1CC[C@@]2(CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@H]3CCCO3)C2)C1 ZINC000559094133 943835881 /nfs/dbraw/zinc/83/58/81/943835881.db2.gz DLTZSJPYPGPLNW-ZWDAVXSWSA-N 0 0 411.506 4.049 20 5 HIBDRN Cc1ccsc1-c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1CCCO1 ZINC000559099415 943839096 /nfs/dbraw/zinc/83/90/96/943839096.db2.gz CZJNZBAKFFFFHB-INIZCTEOSA-N 0 0 413.503 4.039 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC4(C3)CCCCC4)n2C[C@@H]2CCOC2)cc1 ZINC000559200062 943870201 /nfs/dbraw/zinc/87/02/01/943870201.db2.gz KBVFRNLCASJTRR-KRWDZBQOSA-N 0 0 411.506 4.050 20 5 HIBDRN Cc1c(Br)cccc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000559287114 943890438 /nfs/dbraw/zinc/89/04/38/943890438.db2.gz IDLPXDBLPIBQLS-UHFFFAOYSA-N 0 0 419.279 4.020 20 5 HIBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000559390392 943928006 /nfs/dbraw/zinc/92/80/06/943928006.db2.gz YGIYPZVZKJLGEX-VBHSOAQHSA-N 0 0 421.291 4.353 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000559579009 944010171 /nfs/dbraw/zinc/01/01/71/944010171.db2.gz CBOHGXDRJOOMBE-HNNXBMFYSA-N 0 0 403.276 4.295 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000559643120 944023287 /nfs/dbraw/zinc/02/32/87/944023287.db2.gz XTXUFXHEATZXRW-SIXWZSSISA-N 0 0 424.497 4.267 20 5 HIBDRN COc1cc(Cc2noc(CCc3c[nH]c4ccc(C)cc34)n2)c([N+](=O)[O-])c(OC)c1 ZINC000559914960 944083745 /nfs/dbraw/zinc/08/37/45/944083745.db2.gz HCMPIQJBWNSWJE-UHFFFAOYSA-N 0 0 422.441 4.161 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cc(NCc2nc(COc3ccc(F)cc3)no2)c1 ZINC000559946493 944095653 /nfs/dbraw/zinc/09/56/53/944095653.db2.gz NHEVGNAFSLLBNI-UHFFFAOYSA-N 0 0 423.198 4.071 20 5 HIBDRN CCOC(=O)C[C@@H](C)CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000559955632 944098965 /nfs/dbraw/zinc/09/89/65/944098965.db2.gz FUQGNHRVJGXOHL-CQSZACIVSA-N 0 0 401.419 4.098 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000559965269 944102161 /nfs/dbraw/zinc/10/21/61/944102161.db2.gz VMVTZMUEZFSWOQ-HNNXBMFYSA-N 0 0 409.215 4.164 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3cc(OCC(F)F)ccn3)no2)c1 ZINC000559967806 944103881 /nfs/dbraw/zinc/10/38/81/944103881.db2.gz PLAWKDDYQYNVJH-UHFFFAOYSA-N 0 0 416.262 4.370 20 5 HIBDRN COC(=O)c1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)cc1 ZINC000559970121 944105153 /nfs/dbraw/zinc/10/51/53/944105153.db2.gz ACLIOFNWHVSPDC-UHFFFAOYSA-N 0 0 418.203 4.169 20 5 HIBDRN Cc1nnc(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)o1 ZINC000560065947 944146844 /nfs/dbraw/zinc/14/68/44/944146844.db2.gz XTSHTROBJBUIRG-UHFFFAOYSA-N 0 0 417.219 4.276 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000560113131 944163899 /nfs/dbraw/zinc/16/38/99/944163899.db2.gz CSESZFNZMIGLEY-HNNXBMFYSA-N 0 0 418.444 4.164 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000560113491 944163918 /nfs/dbraw/zinc/16/39/18/944163918.db2.gz OXLHNLTWSYZHEB-UHFFFAOYSA-N 0 0 408.256 4.015 20 5 HIBDRN CCOC(=O)c1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(F)cc1C ZINC000560143729 944177468 /nfs/dbraw/zinc/17/74/68/944177468.db2.gz UBOCQSSYVOAKNY-UHFFFAOYSA-N 0 0 415.421 4.072 20 5 HIBDRN COc1c(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc(Cl)cc1C(=O)N(C)C ZINC000560265727 944212364 /nfs/dbraw/zinc/21/23/64/944212364.db2.gz RHBGFOSCTURCBL-KRWDZBQOSA-N 0 0 403.866 4.448 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1noc(-c2cccs2)n1 ZINC000560330292 944227543 /nfs/dbraw/zinc/22/75/43/944227543.db2.gz VERQRDHPTKCCNZ-UHFFFAOYSA-N 0 0 418.500 4.384 20 5 HIBDRN Cn1ccnc1[C@H](N[C@@H](c1nccs1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000560528584 944243465 /nfs/dbraw/zinc/24/34/65/944243465.db2.gz IWQOPUJPLBRDPN-RTBURBONSA-N 0 0 405.483 4.253 20 5 HIBDRN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000560537552 944246680 /nfs/dbraw/zinc/24/66/80/944246680.db2.gz BPGXTZMODPQLFU-DFQSSKMNSA-N 0 0 408.458 4.086 20 5 HIBDRN COCCC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000560705515 944301046 /nfs/dbraw/zinc/30/10/46/944301046.db2.gz DMYFRJDENUYBDO-HNNXBMFYSA-N 0 0 406.866 4.197 20 5 HIBDRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000560720033 944308387 /nfs/dbraw/zinc/30/83/87/944308387.db2.gz BFHOOGJWVKKCOF-UHFFFAOYSA-N 0 0 413.455 4.125 20 5 HIBDRN Cc1ccc(-n2nc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c3c2CCC3)c(C)c1 ZINC000560723992 944311257 /nfs/dbraw/zinc/31/12/57/944311257.db2.gz CGGYBEJHSFBHNP-UHFFFAOYSA-N 0 0 418.497 4.201 20 5 HIBDRN CCN(C(=O)c1cc(C(=O)N(CC)C2CCCC2)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000560826537 944347351 /nfs/dbraw/zinc/34/73/51/944347351.db2.gz CZOYQLKARWZDCW-UHFFFAOYSA-N 0 0 401.507 4.404 20 5 HIBDRN CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000560986477 944386845 /nfs/dbraw/zinc/38/68/45/944386845.db2.gz JPIBXDARSSOLCM-UHFFFAOYSA-N 0 0 421.438 4.041 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)c(Br)c1 ZINC000561065698 944423962 /nfs/dbraw/zinc/42/39/62/944423962.db2.gz SSYAODNMVXZERG-ZDUSSCGKSA-N 0 0 418.291 4.051 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)c(Br)c1 ZINC000561065697 944424070 /nfs/dbraw/zinc/42/40/70/944424070.db2.gz SSYAODNMVXZERG-CYBMUJFWSA-N 0 0 418.291 4.051 20 5 HIBDRN COCCc1ccnc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000561165287 944492613 /nfs/dbraw/zinc/49/26/13/944492613.db2.gz KREITBMDAMZZOF-UHFFFAOYSA-N 0 0 406.442 4.043 20 5 HIBDRN CC(=O)c1cc(NCCC(=O)Nc2ccc(Br)cc2C)ccc1[N+](=O)[O-] ZINC000561188762 944507217 /nfs/dbraw/zinc/50/72/17/944507217.db2.gz KGQVIIMPEYCRCD-UHFFFAOYSA-N 0 0 420.263 4.309 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(Oc3ccccc3F)c(F)c2)n1 ZINC000561210090 944515831 /nfs/dbraw/zinc/51/58/31/944515831.db2.gz KIPZLITVVZQDGZ-UHFFFAOYSA-N 0 0 415.352 4.459 20 5 HIBDRN Cn1ccc([C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)n1 ZINC000561269221 944534682 /nfs/dbraw/zinc/53/46/82/944534682.db2.gz NUSRZNYEEIQZIC-OAHLLOKOSA-N 0 0 400.851 4.188 20 5 HIBDRN COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc2cccnc21 ZINC000561332739 944553540 /nfs/dbraw/zinc/55/35/40/944553540.db2.gz JYHTWVSWFMYMJP-LLVKDONJSA-N 0 0 401.806 4.211 20 5 HIBDRN C[C@H](Oc1ccccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(F)(F)F ZINC000561385116 944572356 /nfs/dbraw/zinc/57/23/56/944572356.db2.gz KHGBXJCFEWCESX-LBPRGKRZSA-N 0 0 420.347 4.362 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)NC2(c3ccc(Cl)cc3)CCCC2)cc1[N+](=O)[O-] ZINC000561405579 944582280 /nfs/dbraw/zinc/58/22/80/944582280.db2.gz BUPFZIDMMPFUBP-UHFFFAOYSA-N 0 0 401.850 4.081 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCC1(c2ccccc2Br)CCC1 ZINC000561410028 944585411 /nfs/dbraw/zinc/58/54/11/944585411.db2.gz HPIOZNFBUGSOCP-UHFFFAOYSA-N 0 0 403.276 4.138 20 5 HIBDRN Cc1noc([C@H]2CCCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000561448839 944606232 /nfs/dbraw/zinc/60/62/32/944606232.db2.gz ULOOYBVNSBALDC-GOSISDBHSA-N 0 0 407.430 4.397 20 5 HIBDRN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000561447216 944606599 /nfs/dbraw/zinc/60/65/99/944606599.db2.gz UXIIBRRXMWXOCU-ZEPOWFQYSA-N 0 0 400.450 4.305 20 5 HIBDRN CNc1ccc(C(=O)Nc2nc3c(cccc3Br)s2)cc1[N+](=O)[O-] ZINC000561458869 944614014 /nfs/dbraw/zinc/61/40/14/944614014.db2.gz JFNDYPHCFROHNQ-UHFFFAOYSA-N 0 0 407.249 4.261 20 5 HIBDRN O=C(Nc1ccncc1)c1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000561508520 944644188 /nfs/dbraw/zinc/64/41/88/944644188.db2.gz CMYKLNVXMHVEIP-UHFFFAOYSA-N 0 0 416.359 4.295 20 5 HIBDRN CCCC[C@H](C)N(CCCC)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000561603478 944699958 /nfs/dbraw/zinc/69/99/58/944699958.db2.gz NIPQHIDEWKUODF-HNNXBMFYSA-N 0 0 403.479 4.069 20 5 HIBDRN CC(C)[C@@]1(CO)CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000561631803 944718048 /nfs/dbraw/zinc/71/80/48/944718048.db2.gz OQPUNBOUXFSNNN-QHCPKHFHSA-N 0 0 411.502 4.078 20 5 HIBDRN Cc1c(CC(=O)NCCc2ccc(Br)cc2Cl)cccc1[N+](=O)[O-] ZINC000561682309 944744692 /nfs/dbraw/zinc/74/46/92/944744692.db2.gz IDSLXLDMOLGHHL-UHFFFAOYSA-N 0 0 411.683 4.221 20 5 HIBDRN CSc1cccc(F)c1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000561759632 944783835 /nfs/dbraw/zinc/78/38/35/944783835.db2.gz HTCZBTNTSMGKJB-UHFFFAOYSA-N 0 0 417.384 4.474 20 5 HIBDRN COc1c(-c2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)cccc1[N+](=O)[O-] ZINC000561853611 944822459 /nfs/dbraw/zinc/82/24/59/944822459.db2.gz WOKYRHVVXPPYPH-UHFFFAOYSA-N 0 0 403.778 4.135 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000561859910 944824546 /nfs/dbraw/zinc/82/45/46/944824546.db2.gz JTRZHQXEGMJJBS-OAHLLOKOSA-N 0 0 402.476 4.091 20 5 HIBDRN Cc1ccc(-c2noc(-c3cn4ccc(Br)cc4n3)n2)cc1[N+](=O)[O-] ZINC000561874874 944832361 /nfs/dbraw/zinc/83/23/61/944832361.db2.gz QHCHVYXTTVTLNL-UHFFFAOYSA-N 0 0 400.192 4.030 20 5 HIBDRN C[C@@H]1C[C@H](c2cccnc2)N(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000561892689 944840551 /nfs/dbraw/zinc/84/05/51/944840551.db2.gz GLNNOUAVWCQZOA-AUUYWEPGSA-N 0 0 423.498 4.135 20 5 HIBDRN COc1ccc([C@@H](C)N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1OC ZINC000561930435 944862425 /nfs/dbraw/zinc/86/24/25/944862425.db2.gz TWLYEYUXBWVUDZ-KGLIPLIRSA-N 0 0 412.446 4.382 20 5 HIBDRN COc1ccc([C@H](C)N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1OC ZINC000561930437 944862859 /nfs/dbraw/zinc/86/28/59/944862859.db2.gz TWLYEYUXBWVUDZ-UONOGXRCSA-N 0 0 412.446 4.382 20 5 HIBDRN Cc1ccc(OC(F)F)c(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 ZINC000561982610 944885510 /nfs/dbraw/zinc/88/55/10/944885510.db2.gz JKMUFDQCPBQPQE-UHFFFAOYSA-N 0 0 404.291 4.453 20 5 HIBDRN COC(C)(C)c1nc(C)c(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)s1 ZINC000562102665 944940093 /nfs/dbraw/zinc/94/00/93/944940093.db2.gz DKZCUVFUCPHRTL-UHFFFAOYSA-N 0 0 413.459 4.363 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000562145023 944974449 /nfs/dbraw/zinc/97/44/49/944974449.db2.gz GFZYHWIVZRSUPG-CTNGQTDRSA-N 0 0 409.486 4.199 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000562145024 944974734 /nfs/dbraw/zinc/97/47/34/944974734.db2.gz GFZYHWIVZRSUPG-FPOVZHCZSA-N 0 0 409.486 4.199 20 5 HIBDRN 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CC(=O)c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cc2ccccc2)c1 ZINC000015364638 846041542 /nfs/dbraw/zinc/04/15/42/846041542.db2.gz OJXJFJFKVNCUMP-UHFFFAOYSA-N 0 0 411.435 4.156 20 5 HIBDRN CCNc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000015648818 846079543 /nfs/dbraw/zinc/07/95/43/846079543.db2.gz NZSPEXHGIFJLOI-LBPRGKRZSA-N 0 0 405.838 4.172 20 5 HIBDRN C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl ZINC000015683243 846082665 /nfs/dbraw/zinc/08/26/65/846082665.db2.gz OAEOOAJGMUBGNJ-ZDUSSCGKSA-N 0 0 417.849 4.032 20 5 HIBDRN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCCNc1ccccc1[N+](=O)[O-] ZINC000015823972 846095775 /nfs/dbraw/zinc/09/57/75/846095775.db2.gz YNLDLHBXOUXQIP-UHFFFAOYSA-N 0 0 416.890 4.143 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)c1ccccc1Cl ZINC000016017379 846113542 /nfs/dbraw/zinc/11/35/42/846113542.db2.gz DVXURUYNXRLIMY-JTQLQIEISA-N 0 0 403.851 4.009 20 5 HIBDRN COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000016086176 846121442 /nfs/dbraw/zinc/12/14/42/846121442.db2.gz DXOVDKKXDSVQAF-UHFFFAOYSA-N 0 0 418.496 4.056 20 5 HIBDRN COc1cc(CCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000016143557 846129526 /nfs/dbraw/zinc/12/95/26/846129526.db2.gz TYYVSBOTQVLFRZ-GFCCVEGCSA-N 0 0 424.906 4.105 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000016196002 846137237 /nfs/dbraw/zinc/13/72/37/846137237.db2.gz UIABIXIFDRJYNC-UHFFFAOYSA-N 0 0 415.254 4.419 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000016196506 846137589 /nfs/dbraw/zinc/13/75/89/846137589.db2.gz OVUNETICQOPVTH-JTQLQIEISA-N 0 0 424.862 4.163 20 5 HIBDRN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000016301555 846150340 /nfs/dbraw/zinc/15/03/40/846150340.db2.gz IDDUASPRRKEIMA-UHFFFAOYSA-N 0 0 403.154 4.306 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000436336541 861644836 /nfs/dbraw/zinc/64/48/36/861644836.db2.gz AKCFBTMBVRSHGU-HXUWFJFHSA-N 0 0 420.415 4.173 20 5 HIBDRN CCOc1ccc(CCNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1OCC ZINC000016645252 846195265 /nfs/dbraw/zinc/19/52/65/846195265.db2.gz MZNACBMSUKWNIT-UHFFFAOYSA-N 0 0 404.488 4.087 20 5 HIBDRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000016720220 846200913 /nfs/dbraw/zinc/20/09/13/846200913.db2.gz VWXVNQNPILUGPB-GFCCVEGCSA-N 0 0 408.863 4.219 20 5 HIBDRN O=C(Nc1nnc(C2CCCCC2)s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016722776 846201093 /nfs/dbraw/zinc/20/10/93/846201093.db2.gz ZKIKVTGCZMSCNW-UHFFFAOYSA-N 0 0 415.519 4.349 20 5 HIBDRN COc1ccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000016743693 846205240 /nfs/dbraw/zinc/20/52/40/846205240.db2.gz PNXKCKXIXSQHLL-HXUWFJFHSA-N 0 0 406.394 4.140 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2N)c2ccccc2)cc1 ZINC000016814235 846212940 /nfs/dbraw/zinc/21/29/40/846212940.db2.gz XVRNPQMDYUPVEY-HXUWFJFHSA-N 0 0 405.410 4.022 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 ZINC000016927400 846220061 /nfs/dbraw/zinc/22/00/61/846220061.db2.gz MOQWDLYKNQYKLK-LBPRGKRZSA-N 0 0 421.247 4.158 20 5 HIBDRN Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000016927641 846220102 /nfs/dbraw/zinc/22/01/02/846220102.db2.gz MLKGBBFKLUPSAY-LBPRGKRZSA-N 0 0 421.247 4.158 20 5 HIBDRN CCOc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000017048757 846228601 /nfs/dbraw/zinc/22/86/01/846228601.db2.gz DXXLPHRGVLTOBC-KGLIPLIRSA-N 0 0 418.471 4.045 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(-n2cccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000017182868 846236008 /nfs/dbraw/zinc/23/60/08/846236008.db2.gz BLODMQGOPACBQL-CYBMUJFWSA-N 0 0 413.817 4.223 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(-n2cccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017182812 846236090 /nfs/dbraw/zinc/23/60/90/846236090.db2.gz NFGHEXGNBNUHLA-CYBMUJFWSA-N 0 0 413.817 4.223 20 5 HIBDRN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000017369634 846251280 /nfs/dbraw/zinc/25/12/80/846251280.db2.gz ZSRKMEPAAPCEQG-QGZVFWFLSA-N 0 0 401.375 4.223 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Br)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017483353 846254395 /nfs/dbraw/zinc/25/43/95/846254395.db2.gz MDAKXPOKXNPNAZ-JTQLQIEISA-N 0 0 418.203 4.325 20 5 HIBDRN C[C@@H](OC(=O)c1cccc(Br)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017527060 846257807 /nfs/dbraw/zinc/25/78/07/846257807.db2.gz YCPNSQDNTGOVDF-SNVBAGLBSA-N 0 0 418.203 4.325 20 5 HIBDRN O=C(COC(=O)c1ccc2c(c1)CCCC2)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000017669124 846263763 /nfs/dbraw/zinc/26/37/63/846263763.db2.gz NDTPTAFWQSHBSF-UHFFFAOYSA-N 0 0 422.359 4.288 20 5 HIBDRN CCc1ccc(C(=O)CCC(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000017712056 846264754 /nfs/dbraw/zinc/26/47/54/846264754.db2.gz ZAIIGUXJUAMXJZ-AWEZNQCLSA-N 0 0 423.425 4.475 20 5 HIBDRN COc1ccc(-c2nc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n[nH]2)cc1 ZINC000017721206 846265870 /nfs/dbraw/zinc/26/58/70/846265870.db2.gz QLSWJUOTWYBLNV-LLVKDONJSA-N 0 0 424.442 4.292 20 5 HIBDRN C[C@H](OC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017750803 846268419 /nfs/dbraw/zinc/26/84/19/846268419.db2.gz HBFUYSKUBZZBRP-QMMMGPOBSA-N 0 0 401.177 4.225 20 5 HIBDRN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000017961411 846280177 /nfs/dbraw/zinc/28/01/77/846280177.db2.gz XLRMICIQXQUIJC-JTQLQIEISA-N 0 0 408.208 4.065 20 5 HIBDRN Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000017962245 846281304 /nfs/dbraw/zinc/28/13/04/846281304.db2.gz ZQGIWFAFDMOYJF-MRXNPFEDSA-N 0 0 415.515 4.098 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(C(C)C)nc2ccccc21 ZINC000018024055 846286154 /nfs/dbraw/zinc/28/61/54/846286154.db2.gz LYZMWQGGSCRNJP-UHFFFAOYSA-N 0 0 407.426 4.370 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(C3SCCS3)c2)c([N+](=O)[O-])cc1OC ZINC000018216160 846311510 /nfs/dbraw/zinc/31/15/10/846311510.db2.gz VWURGYRCHDKSIV-UHFFFAOYSA-N 0 0 406.485 4.343 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](c2ccccc2F)C1 ZINC000436346820 861663922 /nfs/dbraw/zinc/66/39/22/861663922.db2.gz YJLSZVRHRXZOHY-HXUWFJFHSA-N 0 0 420.415 4.173 20 5 HIBDRN C[C@@H](NC(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000018357764 846323297 /nfs/dbraw/zinc/32/32/97/846323297.db2.gz VAOFZVGCMJHXLO-OAHLLOKOSA-N 0 0 424.478 4.261 20 5 HIBDRN COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000018456666 846327306 /nfs/dbraw/zinc/32/73/06/846327306.db2.gz SXEGMYKSLQCOIU-AWEZNQCLSA-N 0 0 414.458 4.393 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000018456645 846327777 /nfs/dbraw/zinc/32/77/77/846327777.db2.gz ZNTSTGQNVIWAFL-ZDUSSCGKSA-N 0 0 400.431 4.085 20 5 HIBDRN O=C(COC(=O)c1ccc(SC(F)(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000018656296 846335563 /nfs/dbraw/zinc/33/55/63/846335563.db2.gz QPMQCRNAYVTRCE-UHFFFAOYSA-N 0 0 418.324 4.141 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3cc(Cl)ccc3o2)c([N+](=O)[O-])c1 ZINC000018751602 846340764 /nfs/dbraw/zinc/34/07/64/846340764.db2.gz UYPBEICQMNZDHN-SNVBAGLBSA-N 0 0 418.789 4.187 20 5 HIBDRN O=C(OCc1cc(-c2ccccc2)on1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000019015885 846352626 /nfs/dbraw/zinc/35/26/26/846352626.db2.gz MJDXKNKQAHIUQL-UHFFFAOYSA-N 0 0 403.188 4.369 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCc2coc(-c3cccs3)n2)cc1OC ZINC000019159338 846353287 /nfs/dbraw/zinc/35/32/87/846353287.db2.gz VMMGUMBRRZMFRT-UHFFFAOYSA-N 0 0 404.400 4.076 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2[N+](=O)[O-])CC1 ZINC000019163134 846354662 /nfs/dbraw/zinc/35/46/62/846354662.db2.gz YYMLCVRWECJYEI-UHFFFAOYSA-N 0 0 402.382 4.131 20 5 HIBDRN CCOC(=O)c1oc2ccc(Br)cc2c1COc1cccnc1[N+](=O)[O-] ZINC000019315727 846363287 /nfs/dbraw/zinc/36/32/87/846363287.db2.gz SDKQVFILHBXURH-UHFFFAOYSA-N 0 0 421.203 4.254 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(CC)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000019358151 846364347 /nfs/dbraw/zinc/36/43/47/846364347.db2.gz FVXLSADWSSOSPU-UHFFFAOYSA-N 0 0 402.491 4.433 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1cccc2ccccc21 ZINC000019430245 846365092 /nfs/dbraw/zinc/36/50/92/846365092.db2.gz SKOARHJSROMWFI-UHFFFAOYSA-N 0 0 406.394 4.180 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1C ZINC000020676041 846387882 /nfs/dbraw/zinc/38/78/82/846387882.db2.gz TVSUSUUCLIJUDM-UHFFFAOYSA-N 0 0 411.439 4.359 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)OCc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000020790315 846388265 /nfs/dbraw/zinc/38/82/65/846388265.db2.gz HLEHXYSDMLVKAZ-UHFFFAOYSA-N 0 0 420.450 4.385 20 5 HIBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020787643 846388798 /nfs/dbraw/zinc/38/87/98/846388798.db2.gz CKBDVRMURQQMGR-UHFFFAOYSA-N 0 0 408.741 4.124 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCc1cccs1 ZINC000020910615 846394945 /nfs/dbraw/zinc/39/49/45/846394945.db2.gz OHCXEPKCZOYITD-UHFFFAOYSA-N 0 0 418.478 4.368 20 5 HIBDRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)c1ccc[nH]1 ZINC000020983389 846399148 /nfs/dbraw/zinc/39/91/48/846399148.db2.gz XGLAGQSXXLHYEL-UHFFFAOYSA-N 0 0 413.817 4.228 20 5 HIBDRN Cc1c(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000021205747 846417551 /nfs/dbraw/zinc/41/75/51/846417551.db2.gz HRJQBQCLEPBAMU-UHFFFAOYSA-N 0 0 413.386 4.495 20 5 HIBDRN Cc1c(Cl)c(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nc2ccccc12 ZINC000021421482 846440236 /nfs/dbraw/zinc/44/02/36/846440236.db2.gz BYYNSNRMNYYRNS-UHFFFAOYSA-N 0 0 414.801 4.233 20 5 HIBDRN Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n[nH]2)cc1 ZINC000021457077 846447369 /nfs/dbraw/zinc/44/73/69/846447369.db2.gz KLRJAMRPXACAAV-LLVKDONJSA-N 0 0 417.878 4.461 20 5 HIBDRN COc1cccc(C(=O)COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000021466393 846448822 /nfs/dbraw/zinc/44/88/22/846448822.db2.gz DEDNSUULNGRTHC-UHFFFAOYSA-N 0 0 420.421 4.255 20 5 HIBDRN Nc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000021463405 846448896 /nfs/dbraw/zinc/44/88/96/846448896.db2.gz UFNAHLNCUTUHGE-UHFFFAOYSA-N 0 0 423.450 4.124 20 5 HIBDRN C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000021547861 846460382 /nfs/dbraw/zinc/46/03/82/846460382.db2.gz JSPSMJCYYCAMDR-JTQLQIEISA-N 0 0 404.835 4.418 20 5 HIBDRN CCOc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 ZINC000021635776 846476170 /nfs/dbraw/zinc/47/61/70/846476170.db2.gz MDXJIUCWVLUYRX-UHFFFAOYSA-N 0 0 401.366 4.138 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ccc(C(F)(F)F)cn1 ZINC000021635977 846476286 /nfs/dbraw/zinc/47/62/86/846476286.db2.gz KNUJGYSHLKXQPV-VIFPVBQESA-N 0 0 401.366 4.137 20 5 HIBDRN C[C@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021746115 846490460 /nfs/dbraw/zinc/49/04/60/846490460.db2.gz RSILJXGQNGBWIU-JTQLQIEISA-N 0 0 403.851 4.153 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000022187751 846543038 /nfs/dbraw/zinc/54/30/38/846543038.db2.gz GNIXLRYYYNSJBR-INIZCTEOSA-N 0 0 408.813 4.200 20 5 HIBDRN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000022233716 846548263 /nfs/dbraw/zinc/54/82/63/846548263.db2.gz DLIXYLBZOLXQBO-UHFFFAOYSA-N 0 0 415.453 4.058 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CC[C@H](C)C3)cccc1[N+](=O)[O-] ZINC000022245818 846548954 /nfs/dbraw/zinc/54/89/54/846548954.db2.gz ANEDGKHIWDLRNB-WCQYABFASA-N 0 0 402.472 4.274 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CC[C@@H](C)C3)cccc1[N+](=O)[O-] ZINC000022245809 846549083 /nfs/dbraw/zinc/54/90/83/846549083.db2.gz ANEDGKHIWDLRNB-YPMHNXCESA-N 0 0 402.472 4.274 20 5 HIBDRN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000022471181 846575524 /nfs/dbraw/zinc/57/55/24/846575524.db2.gz ORUFGVUVNPIDDB-MRXNPFEDSA-N 0 0 404.422 4.370 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000022469383 846575549 /nfs/dbraw/zinc/57/55/49/846575549.db2.gz PRPIPRSJZDBYPD-RYUDHWBXSA-N 0 0 416.817 4.417 20 5 HIBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000022496250 846579432 /nfs/dbraw/zinc/57/94/32/846579432.db2.gz GNONUHKBZKPEJF-NWDGAFQWSA-N 0 0 416.817 4.417 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc2ccccc2o1 ZINC000022496253 846579545 /nfs/dbraw/zinc/57/95/45/846579545.db2.gz GNONUHKBZKPEJF-NEPJUHHUSA-N 0 0 416.817 4.417 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000022498526 846580268 /nfs/dbraw/zinc/58/02/68/846580268.db2.gz VSWBJBKAQMOXAN-UHFFFAOYSA-N 0 0 406.398 4.256 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000022548017 846584636 /nfs/dbraw/zinc/58/46/36/846584636.db2.gz WPJXDQIATGUOKL-RYUDHWBXSA-N 0 0 416.817 4.417 20 5 HIBDRN O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])NCC1(c2ccccc2)CCCC1 ZINC000022547281 846584712 /nfs/dbraw/zinc/58/47/12/846584712.db2.gz UYANFJCQGGTJHL-UHFFFAOYSA-N 0 0 416.861 4.033 20 5 HIBDRN CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 ZINC000022564873 846588662 /nfs/dbraw/zinc/58/86/62/846588662.db2.gz AMTNTIHNXPWMLF-UHFFFAOYSA-N 0 0 422.393 4.161 20 5 HIBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)NCC1(c2ccccc2)CCCC1 ZINC000022668111 846599563 /nfs/dbraw/zinc/59/95/63/846599563.db2.gz RWTJPZSLCCLGQX-UHFFFAOYSA-N 0 0 416.861 4.033 20 5 HIBDRN CSc1cc2c(cc1NC(=O)c1ccc3[nH]c4ccccc4c(=O)c3c1)OCCO2 ZINC000436362757 861697080 /nfs/dbraw/zinc/69/70/80/861697080.db2.gz JZXRZUXGTMOGAU-UHFFFAOYSA-N 0 0 418.474 4.427 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)CCC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000022693495 846605124 /nfs/dbraw/zinc/60/51/24/846605124.db2.gz MOVVYXJQCKYHEW-CYBMUJFWSA-N 0 0 418.833 4.090 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)Cc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000022745890 846614547 /nfs/dbraw/zinc/61/45/47/846614547.db2.gz VRHPQUXIRLPFMW-LLVKDONJSA-N 0 0 411.241 4.323 20 5 HIBDRN CNc1ccc(C(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc1[N+](=O)[O-] ZINC000022753413 846616007 /nfs/dbraw/zinc/61/60/07/846616007.db2.gz VZJJYUAOBKDPJE-UHFFFAOYSA-N 0 0 421.400 4.051 20 5 HIBDRN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])NCC1(c2ccccc2)CCCC1 ZINC000022792340 846621791 /nfs/dbraw/zinc/62/17/91/846621791.db2.gz TXYWKRVCYOXNPR-UHFFFAOYSA-N 0 0 416.861 4.033 20 5 HIBDRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000023101979 846659409 /nfs/dbraw/zinc/65/94/09/846659409.db2.gz HEKQFEWFCRYJOQ-UHFFFAOYSA-N 0 0 423.391 4.366 20 5 HIBDRN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000023146286 846663957 /nfs/dbraw/zinc/66/39/57/846663957.db2.gz PMUCWYNNHIGNSM-UHFFFAOYSA-N 0 0 405.454 4.282 20 5 HIBDRN Cc1ccccc1CCNC(=O)[C@H](C)Sc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000023214161 846671376 /nfs/dbraw/zinc/67/13/76/846671376.db2.gz VQLQOAOLKMBBTR-ZDUSSCGKSA-N 0 0 401.513 4.352 20 5 HIBDRN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N1CCc2[nH]c3ccccc3c2C1 ZINC000023214062 846671392 /nfs/dbraw/zinc/67/13/92/846671392.db2.gz ITUFIJHLOUGGCZ-UHFFFAOYSA-N 0 0 424.507 4.363 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1C(F)(F)F ZINC000023445114 846702335 /nfs/dbraw/zinc/70/23/35/846702335.db2.gz HSANDONUWNZRBP-VIFPVBQESA-N 0 0 416.739 4.451 20 5 HIBDRN COc1cccc(Cc2cnc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)s2)c1 ZINC000023488284 846707657 /nfs/dbraw/zinc/70/76/57/846707657.db2.gz DLORQYDJXCOIEM-UHFFFAOYSA-N 0 0 424.482 4.477 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)CSc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000023487015 846707671 /nfs/dbraw/zinc/70/76/71/846707671.db2.gz YKYVKKCWRFOJMX-LBPRGKRZSA-N 0 0 408.863 4.219 20 5 HIBDRN C[C@@H](c1nnc(Sc2ccc([N+](=O)[O-])cn2)n1-c1ccccc1)N1CCCCC1 ZINC000023616681 846729455 /nfs/dbraw/zinc/72/94/55/846729455.db2.gz SEMMWVWMQGEZRS-HNNXBMFYSA-N 0 0 410.503 4.269 20 5 HIBDRN CCn1c(=O)c2c3c(sc2nc1Sc1ccc([N+](=O)[O-])cn1)C[C@@H](C)CC3 ZINC000023608788 846729925 /nfs/dbraw/zinc/72/99/25/846729925.db2.gz PVLBHHKPYBURTB-JTQLQIEISA-N 0 0 402.501 4.057 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)COc2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000023622641 846730853 /nfs/dbraw/zinc/73/08/53/846730853.db2.gz XOPDARIGOLSZKE-HNNXBMFYSA-N 0 0 408.410 4.006 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000023639592 846733933 /nfs/dbraw/zinc/73/39/33/846733933.db2.gz HYUXNNMEUZECIZ-HNNXBMFYSA-N 0 0 419.934 4.073 20 5 HIBDRN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] ZINC000023861938 846753221 /nfs/dbraw/zinc/75/32/21/846753221.db2.gz IRDTXLHGZOOKTN-UHFFFAOYSA-N 0 0 415.398 4.041 20 5 HIBDRN CN(C)C(=O)c1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000023874041 846754183 /nfs/dbraw/zinc/75/41/83/846754183.db2.gz KLJICSVHXVOERO-UHFFFAOYSA-N 0 0 404.426 4.293 20 5 HIBDRN CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000024046954 846781480 /nfs/dbraw/zinc/78/14/80/846781480.db2.gz BNJUOTTZAJIBIE-LBPRGKRZSA-N 0 0 418.833 4.415 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000024080246 846785588 /nfs/dbraw/zinc/78/55/88/846785588.db2.gz QQQNJSJOQHUXBE-LBPRGKRZSA-N 0 0 422.890 4.207 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3c(cccc3F)s2)cccc1[N+](=O)[O-] ZINC000024176145 846796457 /nfs/dbraw/zinc/79/64/57/846796457.db2.gz GJEZCKVQKLHALX-NSHDSACASA-N 0 0 402.403 4.441 20 5 HIBDRN O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000024229733 846804541 /nfs/dbraw/zinc/80/45/41/846804541.db2.gz BGPVQLSMIXGJCB-UHFFFAOYSA-N 0 0 424.269 4.213 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cc([N+](=O)[O-])c1 ZINC000024470193 846829553 /nfs/dbraw/zinc/82/95/53/846829553.db2.gz FNWDSVUYHVXRHP-UHFFFAOYSA-N 0 0 422.359 4.383 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000436383298 861725574 /nfs/dbraw/zinc/72/55/74/861725574.db2.gz CYDOIVVXCDVHER-JTQLQIEISA-N 0 0 418.322 4.301 20 5 HIBDRN COc1cccc2sc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)nc21 ZINC000024553002 846837229 /nfs/dbraw/zinc/83/72/29/846837229.db2.gz VMZCDGIYLYRCAE-UHFFFAOYSA-N 0 0 412.471 4.068 20 5 HIBDRN CCOc1ccc(NC(=O)COC(=O)c2cc3c(cccc3F)s2)c([N+](=O)[O-])c1 ZINC000024714563 846858157 /nfs/dbraw/zinc/85/81/57/846858157.db2.gz OIMLZYBBMAVRQV-UHFFFAOYSA-N 0 0 418.402 4.143 20 5 HIBDRN COc1cc(C)c(CN(C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000024743999 846862150 /nfs/dbraw/zinc/86/21/50/846862150.db2.gz PONHIDDIIVRJFP-CYBMUJFWSA-N 0 0 421.881 4.033 20 5 HIBDRN COc1ccc(C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1OC ZINC000024969859 846898418 /nfs/dbraw/zinc/89/84/18/846898418.db2.gz SWKGWVCNBKPRBK-UHFFFAOYSA-N 0 0 420.490 4.079 20 5 HIBDRN COc1cc(COc2ccc(Cl)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000025026698 846907438 /nfs/dbraw/zinc/90/74/38/846907438.db2.gz HYJOHPYJDCNEST-UHFFFAOYSA-N 0 0 404.709 4.345 20 5 HIBDRN C[C@@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1Cl ZINC000025058532 846915484 /nfs/dbraw/zinc/91/54/84/846915484.db2.gz XTGMKVMNAJKSSL-SNVBAGLBSA-N 0 0 412.826 4.050 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000025173800 846936749 /nfs/dbraw/zinc/93/67/49/846936749.db2.gz BPJSAVIXIIOZSL-JOCHJYFZSA-N 0 0 418.497 4.304 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000025218722 846942848 /nfs/dbraw/zinc/94/28/48/846942848.db2.gz PJZIMYLBAFHUMO-UHFFFAOYSA-N 0 0 408.785 4.088 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c(C)c([N+](=O)[O-])c1 ZINC000436393949 861737589 /nfs/dbraw/zinc/73/75/89/861737589.db2.gz VUZAIXIUZPGZLO-GOEBONIOSA-N 0 0 403.822 4.021 20 5 HIBDRN Cc1ccc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000436393029 861737762 /nfs/dbraw/zinc/73/77/62/861737762.db2.gz UNPFSHIGNVZCDQ-CQSZACIVSA-N 0 0 411.380 4.487 20 5 HIBDRN CC(C)c1nnc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000025323328 846959201 /nfs/dbraw/zinc/95/92/01/846959201.db2.gz NUOZAMPUPDCKFG-UHFFFAOYSA-N 0 0 406.411 4.319 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(C(=O)N(C)C)c3)cc2[N+](=O)[O-])C1 ZINC000025326278 846960579 /nfs/dbraw/zinc/96/05/79/846960579.db2.gz IFQZNXHSZBPBFA-HZPDHXFCSA-N 0 0 424.501 4.031 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000025424908 846976749 /nfs/dbraw/zinc/97/67/49/846976749.db2.gz WJXVUMLNQRWXCY-UHFFFAOYSA-N 0 0 407.426 4.476 20 5 HIBDRN CC(C)C(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000025426423 846977075 /nfs/dbraw/zinc/97/70/75/846977075.db2.gz UHHJSLYVZFQZAL-GFCCVEGCSA-N 0 0 404.854 4.282 20 5 HIBDRN O=C(OCc1csc(-c2ccco2)n1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000025444288 846978296 /nfs/dbraw/zinc/97/82/96/846978296.db2.gz HOPOKKKPLUXAED-UHFFFAOYSA-N 0 0 409.217 4.431 20 5 HIBDRN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000025567186 847003903 /nfs/dbraw/zinc/00/39/03/847003903.db2.gz YYVQDZMTGFMHQP-CQSZACIVSA-N 0 0 413.865 4.181 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000025612433 847007512 /nfs/dbraw/zinc/00/75/12/847007512.db2.gz YFWUDZGNXQCARS-KRWDZBQOSA-N 0 0 402.472 4.068 20 5 HIBDRN COCCN(CC(C)C)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000025668711 847017879 /nfs/dbraw/zinc/01/78/79/847017879.db2.gz YBROELHULGRTHG-UHFFFAOYSA-N 0 0 409.533 4.256 20 5 HIBDRN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000025947880 847061096 /nfs/dbraw/zinc/06/10/96/847061096.db2.gz YJEOCHNBDBKUAP-UHFFFAOYSA-N 0 0 405.454 4.282 20 5 HIBDRN COc1cc(F)ccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000026024181 847072714 /nfs/dbraw/zinc/07/27/14/847072714.db2.gz PBDQWVMWKNWKHP-UHFFFAOYSA-N 0 0 404.341 4.492 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000026121007 847090378 /nfs/dbraw/zinc/09/03/78/847090378.db2.gz LABHXXSRYWQTAC-FQEVSTJZSA-N 0 0 410.451 4.027 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC000026122183 847091642 /nfs/dbraw/zinc/09/16/42/847091642.db2.gz SQBBEDKHDIQNPO-UHFFFAOYSA-N 0 0 423.454 4.191 20 5 HIBDRN CCn1c2ccccc2nc1SCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000026224333 847106284 /nfs/dbraw/zinc/10/62/84/847106284.db2.gz DNXCBFVMVDJBRW-UHFFFAOYSA-N 0 0 400.460 4.094 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000436406693 861754700 /nfs/dbraw/zinc/75/47/00/861754700.db2.gz JLAUCWHQCMXGAY-UHFFFAOYSA-N 0 0 414.531 4.146 20 5 HIBDRN CC(=O)N1CCN(c2cccc(NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2)CC1 ZINC000436408276 861756986 /nfs/dbraw/zinc/75/69/86/861756986.db2.gz GDLJTWCEAPXKSJ-UHFFFAOYSA-N 0 0 420.469 4.135 20 5 HIBDRN COc1ccc2cc(CN(C)C(=O)[C@H](C)N(C)Cc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000026350354 847131196 /nfs/dbraw/zinc/13/11/96/847131196.db2.gz RAWWWLFDVLZDPV-KRWDZBQOSA-N 0 0 421.497 4.236 20 5 HIBDRN O=C(CCSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026368949 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ZINC000057308428 850605244 /nfs/dbraw/zinc/60/52/44/850605244.db2.gz RNDGPRQYSDXPOS-UHFFFAOYSA-N 0 0 407.382 4.129 20 5 HIBDRN O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000057397866 850629934 /nfs/dbraw/zinc/62/99/34/850629934.db2.gz XFQIVSLJMQQTNY-UHFFFAOYSA-N 0 0 407.904 4.335 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1OC ZINC000057666349 850691712 /nfs/dbraw/zinc/69/17/12/850691712.db2.gz HMHTYWZHCRDWHT-CQSZACIVSA-N 0 0 406.435 4.108 20 5 HIBDRN COc1cccc(CSc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 ZINC000057686592 850695358 /nfs/dbraw/zinc/69/53/58/850695358.db2.gz IGGJSKJYUQBVNJ-UHFFFAOYSA-N 0 0 422.528 4.070 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000057748568 850707074 /nfs/dbraw/zinc/70/70/74/850707074.db2.gz MYQPVQVUUHPISB-UHFFFAOYSA-N 0 0 408.439 4.043 20 5 HIBDRN O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058062068 850760732 /nfs/dbraw/zinc/76/07/32/850760732.db2.gz 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HIBDRN CC(=O)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 ZINC000065807469 852263294 /nfs/dbraw/zinc/26/32/94/852263294.db2.gz RFAXIZIDVHDFKR-UHFFFAOYSA-N 0 0 418.453 4.442 20 5 HIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000065820982 852268457 /nfs/dbraw/zinc/26/84/57/852268457.db2.gz KKANIWJWXJXRAN-OVCLIPMQSA-N 0 0 415.449 4.219 20 5 HIBDRN CCOc1ccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1[N+](=O)[O-] ZINC000065854261 852284711 /nfs/dbraw/zinc/28/47/11/852284711.db2.gz UYXDQBKOPRRPFY-UHFFFAOYSA-N 0 0 422.485 4.377 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCS1 ZINC000437148954 862341331 /nfs/dbraw/zinc/34/13/31/862341331.db2.gz YECPAYGGMGFJPO-GOEBONIOSA-N 0 0 400.504 4.131 20 5 HIBDRN Cc1nc(COc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)no1 ZINC000437152014 862344836 /nfs/dbraw/zinc/34/48/36/862344836.db2.gz FBIPCEFUHYHYAV-UHFFFAOYSA-N 0 0 422.319 4.136 20 5 HIBDRN O=[N+]([O-])c1c(NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)ccc2ncccc21 ZINC000065945851 852330399 /nfs/dbraw/zinc/33/03/99/852330399.db2.gz IUIALZNKAQUFNO-FQEVSTJZSA-N 0 0 412.877 4.282 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)s1 ZINC000066000864 852351281 /nfs/dbraw/zinc/35/12/81/852351281.db2.gz CTCLHOVUZQTGLD-QGZVFWFLSA-N 0 0 408.888 4.378 20 5 HIBDRN Cc1ccnc(-n2c(=O)c3ccccc3nc2SCc2cccc([N+](=O)[O-])c2)c1 ZINC000068871736 852374413 /nfs/dbraw/zinc/37/44/13/852374413.db2.gz VNSRGXJJDHKNAN-UHFFFAOYSA-N 0 0 404.451 4.290 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000071933721 852435195 /nfs/dbraw/zinc/43/51/95/852435195.db2.gz WICJZYXWKUUVCT-GFCCVEGCSA-N 0 0 414.405 4.289 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)ccc1OC1CCCC1 ZINC000071960648 852447461 /nfs/dbraw/zinc/44/74/61/852447461.db2.gz AMSCOZXIGHRMPQ-CYBMUJFWSA-N 0 0 424.457 4.292 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCCSc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000071961741 852448411 /nfs/dbraw/zinc/44/84/11/852448411.db2.gz CDQHAQFBCYKCQV-UHFFFAOYSA-N 0 0 411.418 4.034 20 5 HIBDRN O=C(NC1CC1)c1cc(SCCOc2ccccc2[N+](=O)[O-])nc2ccccc21 ZINC000071961643 852448510 /nfs/dbraw/zinc/44/85/10/852448510.db2.gz LWFTYLYOAUCUOL-UHFFFAOYSA-N 0 0 409.467 4.206 20 5 HIBDRN CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000072012503 852465486 /nfs/dbraw/zinc/46/54/86/852465486.db2.gz JNWIYTPNANHXHC-UHFFFAOYSA-N 0 0 400.410 4.202 20 5 HIBDRN Cc1c(C(=O)N2CCCc3cccc(OC(F)F)c32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000072029488 852473237 /nfs/dbraw/zinc/47/32/37/852473237.db2.gz LXTQNMSWJXOSGX-UHFFFAOYSA-N 0 0 407.329 4.006 20 5 HIBDRN CCN(Cc1cccc(F)c1)C(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000072033608 852477018 /nfs/dbraw/zinc/47/70/18/852477018.db2.gz DXEYOWNSLRFDDU-UHFFFAOYSA-N 0 0 400.328 4.180 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000072068853 852494006 /nfs/dbraw/zinc/49/40/06/852494006.db2.gz ZDLKIAAXGBZIHB-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N(C1CCCCC1)C1CCCCC1 ZINC000072085954 852502287 /nfs/dbraw/zinc/50/22/87/852502287.db2.gz PSKKFIUZAMBDCW-UHFFFAOYSA-N 0 0 411.506 4.347 20 5 HIBDRN Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000072090612 852504351 /nfs/dbraw/zinc/50/43/51/852504351.db2.gz TVIWXOKXXNGWIW-RUDMXATFSA-N 0 0 417.347 4.155 20 5 HIBDRN CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000078509862 852517735 /nfs/dbraw/zinc/51/77/35/852517735.db2.gz BXIOQGMVXKBXMY-UHFFFAOYSA-N 0 0 411.458 4.464 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000079308029 852541966 /nfs/dbraw/zinc/54/19/66/852541966.db2.gz VGRFRKQPGPOGSG-KRWDZBQOSA-N 0 0 422.485 4.310 20 5 HIBDRN Cc1ccc(-n2cc(C(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)nn2)cc1 ZINC000097295890 852598818 /nfs/dbraw/zinc/59/88/18/852598818.db2.gz WDVKQWHESFLOCP-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000097571142 852632374 /nfs/dbraw/zinc/63/23/74/852632374.db2.gz VEGGRPZJGAJNIY-ZDUSSCGKSA-N 0 0 412.343 4.153 20 5 HIBDRN CN(Cc1cccnc1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000097631549 852644555 /nfs/dbraw/zinc/64/45/55/852644555.db2.gz HMDLRDINVFKZHF-UHFFFAOYSA-N 0 0 424.844 4.168 20 5 HIBDRN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000104898159 852681078 /nfs/dbraw/zinc/68/10/78/852681078.db2.gz CETWYFVSMWOJMH-UHFFFAOYSA-N 0 0 423.429 4.219 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1noc(-c2ccc(F)cc2)n1 ZINC000105245212 852695177 /nfs/dbraw/zinc/69/51/77/852695177.db2.gz NCQMSAAGZRMPSN-LLVKDONJSA-N 0 0 403.391 4.008 20 5 HIBDRN COc1ccc2c(C)c(CCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c(=O)oc2c1 ZINC000105315188 852698405 /nfs/dbraw/zinc/69/84/05/852698405.db2.gz NKNHOSHOGRKKBR-UHFFFAOYSA-N 0 0 416.817 4.243 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cc([N+](=O)[O-])ccc3F)CCCC2)c1 ZINC000105328940 852699425 /nfs/dbraw/zinc/69/94/25/852699425.db2.gz LXSNGMPRMYMRPE-UHFFFAOYSA-N 0 0 420.462 4.076 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCCO4)n2)cc1[N+](=O)[O-] ZINC000105352192 852700306 /nfs/dbraw/zinc/70/03/06/852700306.db2.gz WYJYKZWMQGDOJE-UHFFFAOYSA-N 0 0 411.439 4.440 20 5 HIBDRN COc1cc(CN[C@@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000105359797 852701536 /nfs/dbraw/zinc/70/15/36/852701536.db2.gz WDVSRAAAFMSGEA-FQEVSTJZSA-N 0 0 415.396 4.479 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(Br)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105526828 852710432 /nfs/dbraw/zinc/71/04/32/852710432.db2.gz GWACHLSTKAMRCY-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105528972 852710440 /nfs/dbraw/zinc/71/04/40/852710440.db2.gz LJFSYCWYBZKTAB-ZDUSSCGKSA-N 0 0 400.822 4.148 20 5 HIBDRN COc1ccc([C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000105550817 852712868 /nfs/dbraw/zinc/71/28/68/852712868.db2.gz ITEGQCXACLCJJT-QHCPKHFHSA-N 0 0 405.454 4.311 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1c(-c2ccccc2)nc2ccccn21 ZINC000105554671 852712978 /nfs/dbraw/zinc/71/29/78/852712978.db2.gz BNGZPSABQDBBJS-UHFFFAOYSA-N 0 0 401.426 4.350 20 5 HIBDRN COc1ccc(N(Cc2ccccc2)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000105934403 852740224 /nfs/dbraw/zinc/74/02/24/852740224.db2.gz WQPWNVKNQYPKEV-UHFFFAOYSA-N 0 0 412.467 4.140 20 5 HIBDRN Cc1cc(NC(=O)Cc2ccc(-n3cccc3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106202866 852761950 /nfs/dbraw/zinc/76/19/50/852761950.db2.gz FUYPEDOCDHNUON-UHFFFAOYSA-N 0 0 401.426 4.061 20 5 HIBDRN C[C@H](OC(=O)c1ccc2nc(Cl)ccc2c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000107663097 852785205 /nfs/dbraw/zinc/78/52/05/852785205.db2.gz NPDVVHFSYNLUFN-JTQLQIEISA-N 0 0 417.780 4.120 20 5 HIBDRN O=C(Nc1ccc(N2CCNC2=O)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000107780791 852796400 /nfs/dbraw/zinc/79/64/00/852796400.db2.gz XUTGDGSOQKGXFA-UHFFFAOYSA-N 0 0 418.409 4.169 20 5 HIBDRN Cc1cc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000107779862 852796446 /nfs/dbraw/zinc/79/64/46/852796446.db2.gz BPECTTOKQBIKDY-UHFFFAOYSA-N 0 0 420.347 4.169 20 5 HIBDRN CCCc1cc(=O)oc2cc(OCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)ccc12 ZINC000107842537 852801841 /nfs/dbraw/zinc/80/18/41/852801841.db2.gz OOBHWDKRIKGLSO-UHFFFAOYSA-N 0 0 407.382 4.283 20 5 HIBDRN O=C(c1ccccc1F)N1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000108080990 852821213 /nfs/dbraw/zinc/82/12/13/852821213.db2.gz IOGHODAKJCDUSB-UHFFFAOYSA-N 0 0 422.254 4.213 20 5 HIBDRN CCCOc1ccc(Oc2ncccc2CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000108209162 852828947 /nfs/dbraw/zinc/82/89/47/852828947.db2.gz HZTHOLPMRYEQDP-UHFFFAOYSA-N 0 0 422.441 4.083 20 5 HIBDRN CCC(CC)[C@H](NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)c1cccs1 ZINC000108390546 852845154 /nfs/dbraw/zinc/84/51/54/852845154.db2.gz UUPDFXCDULLLOJ-IBGZPJMESA-N 0 0 413.503 4.453 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000108540552 852857749 /nfs/dbraw/zinc/85/77/49/852857749.db2.gz AJWNGONEYAQMPK-ACJLOTCBSA-N 0 0 406.891 4.329 20 5 HIBDRN Nc1c(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000108628097 852866238 /nfs/dbraw/zinc/86/62/38/852866238.db2.gz FWFAEHQQDVHRLR-UHFFFAOYSA-N 0 0 418.812 4.131 20 5 HIBDRN COC(=O)c1cccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000108756610 852877446 /nfs/dbraw/zinc/87/74/46/852877446.db2.gz ULNNVTJGIQNFDN-AWEZNQCLSA-N 0 0 420.425 4.202 20 5 HIBDRN COCc1ccccc1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000108779927 852879091 /nfs/dbraw/zinc/87/90/91/852879091.db2.gz CAAKITWQZRHFEI-MRXNPFEDSA-N 0 0 420.469 4.239 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(COc2ccccc2)CC1 ZINC000108835346 852884282 /nfs/dbraw/zinc/88/42/82/852884282.db2.gz DAYSTWFGRRFWGV-UHFFFAOYSA-N 0 0 423.513 4.129 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000437213961 862404129 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20 5 HIBDRN CCOc1ccc([C@@H]2C[C@H]2NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000437217268 862410177 /nfs/dbraw/zinc/41/01/77/862410177.db2.gz IYWDKWXRKSLKCO-JKSUJKDBSA-N 0 0 406.891 4.411 20 5 HIBDRN CCN(Cc1ccc(OC)cc1OC)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437219602 862412658 /nfs/dbraw/zinc/41/26/58/862412658.db2.gz WNZDKVOLXAPLTB-UHFFFAOYSA-N 0 0 412.364 4.293 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000109667323 852996470 /nfs/dbraw/zinc/99/64/70/852996470.db2.gz YQSFOEVMXZSOFZ-UHFFFAOYSA-N 0 0 412.446 4.264 20 5 HIBDRN C[C@H]1CN(c2ccc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc43)cc2F)C[C@H](C)O1 ZINC000109870402 853025842 /nfs/dbraw/zinc/02/58/42/853025842.db2.gz VZGATNITHAPBHQ-STQMWFEESA-N 0 0 412.421 4.081 20 5 HIBDRN O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000109916117 853034512 /nfs/dbraw/zinc/03/45/12/853034512.db2.gz AGYOWFSQBJQRLK-UHFFFAOYSA-N 0 0 413.861 4.208 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000109997775 853043273 /nfs/dbraw/zinc/04/32/73/853043273.db2.gz JJKPWNGFSJHKNB-OAHLLOKOSA-N 0 0 406.483 4.014 20 5 HIBDRN COc1ccc(S(=O)(=O)N(C)c2ccccc2Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000110212198 853075094 /nfs/dbraw/zinc/07/50/94/853075094.db2.gz KJDMROJGYKGWFV-UHFFFAOYSA-N 0 0 414.439 4.221 20 5 HIBDRN COc1cc(CN(C)Cc2cc(C)c(OC)c(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000110288584 853084158 /nfs/dbraw/zinc/08/41/58/853084158.db2.gz HSEBTWGTXZIHKF-UHFFFAOYSA-N 0 0 410.417 4.462 20 5 HIBDRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000110357178 853091550 /nfs/dbraw/zinc/09/15/50/853091550.db2.gz RIDRSYUGWODOIV-ZDUSSCGKSA-N 0 0 408.285 4.466 20 5 HIBDRN Cc1cc(Sc2ncccn2)ccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000110529185 853113603 /nfs/dbraw/zinc/11/36/03/853113603.db2.gz UEIPRZBZFSEKSR-UHFFFAOYSA-N 0 0 419.466 4.438 20 5 HIBDRN O=C(CCc1cccc(OC2CCCC2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000110590143 853122628 /nfs/dbraw/zinc/12/26/28/853122628.db2.gz KEAWUTSBZRLVLT-UHFFFAOYSA-N 0 0 423.513 4.198 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000115379524 853250570 /nfs/dbraw/zinc/25/05/70/853250570.db2.gz HUSWBIHFNZYSSX-UHFFFAOYSA-N 0 0 424.278 4.003 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(-c3cnco3)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000115656416 853257137 /nfs/dbraw/zinc/25/71/37/853257137.db2.gz PWOFVKVBGUIACT-UHFFFAOYSA-N 0 0 405.313 4.112 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000116173589 853288505 /nfs/dbraw/zinc/28/85/05/853288505.db2.gz MNQLRXFCZDNUMW-LBPRGKRZSA-N 0 0 410.396 4.261 20 5 HIBDRN COc1cc(C(=O)NCC(C)(C)c2ccccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000116514040 853310991 /nfs/dbraw/zinc/31/09/91/853310991.db2.gz PLAMAWIVBRKGDJ-UHFFFAOYSA-N 0 0 408.401 4.221 20 5 HIBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2cc(-c3ccccc3)on2)CC1 ZINC000116535371 853312850 /nfs/dbraw/zinc/31/28/50/853312850.db2.gz WHASTKJNRMAPPI-UHFFFAOYSA-N 0 0 420.469 4.416 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000116564928 853316046 /nfs/dbraw/zinc/31/60/46/853316046.db2.gz MVWKMLRPWIZXFW-LJQANCHMSA-N 0 0 408.458 4.097 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3nc4c(s3)C(=O)CCC4)cc2[N+](=O)[O-])C1 ZINC000116748593 853331634 /nfs/dbraw/zinc/33/16/34/853331634.db2.gz VPMIAVIJELPDTO-GFCCVEGCSA-N 0 0 414.487 4.059 20 5 HIBDRN Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000117251441 853350439 /nfs/dbraw/zinc/35/04/39/853350439.db2.gz ACNFPEDRZGJGSK-HNNXBMFYSA-N 0 0 424.501 4.094 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3nccn3Cc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000117362149 853355179 /nfs/dbraw/zinc/35/51/79/853355179.db2.gz KCOHCBPKOXYJQV-QGZVFWFLSA-N 0 0 419.485 4.328 20 5 HIBDRN O=[N+]([O-])c1cnc(Oc2cccc(I)c2)c(Br)c1 ZINC000118720559 853367956 /nfs/dbraw/zinc/36/79/56/853367956.db2.gz RHZADRWANKSPCN-UHFFFAOYSA-N 0 0 420.988 4.149 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000138382955 853385411 /nfs/dbraw/zinc/38/54/11/853385411.db2.gz ZDDJUXOLHYMLLF-AWEZNQCLSA-N 0 0 416.861 4.137 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1coc(-c2cccs2)n1 ZINC000138407794 853385425 /nfs/dbraw/zinc/38/54/25/853385425.db2.gz AOSYVKPWYYKSSO-SNVBAGLBSA-N 0 0 407.835 4.048 20 5 HIBDRN CS(=O)(=O)c1ccc(Oc2ccc3ccc(C(F)(F)F)nc3c2)c([N+](=O)[O-])c1 ZINC000138938043 853398966 /nfs/dbraw/zinc/39/89/66/853398966.db2.gz FZVYFNLTTYIWHJ-UHFFFAOYSA-N 0 0 412.345 4.358 20 5 HIBDRN COc1ccc(CSCC(=O)O[C@@H](C)c2cccc(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000139032531 853402870 /nfs/dbraw/zinc/40/28/70/853402870.db2.gz HVKSKMBZEXCKSU-ZDUSSCGKSA-N 0 0 418.471 4.099 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000437246160 862464855 /nfs/dbraw/zinc/46/48/55/862464855.db2.gz LWRMIVVTULPMKG-JAEPCABDSA-N 0 0 409.486 4.360 20 5 HIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000140414249 853443768 /nfs/dbraw/zinc/44/37/68/853443768.db2.gz OQWVWVQAPZAVKZ-UHFFFAOYSA-N 0 0 408.801 4.175 20 5 HIBDRN CCCC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1C ZINC000142152593 853489043 /nfs/dbraw/zinc/48/90/43/853489043.db2.gz JAPLFHSPZYMSBJ-AWEZNQCLSA-N 0 0 414.462 4.090 20 5 HIBDRN CCCC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000142142128 853489527 /nfs/dbraw/zinc/48/95/27/853489527.db2.gz CJFQATRYFXMNOG-CQSZACIVSA-N 0 0 414.462 4.090 20 5 HIBDRN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000142706647 853498015 /nfs/dbraw/zinc/49/80/15/853498015.db2.gz VVUUMKQRUODYNN-OAHLLOKOSA-N 0 0 410.474 4.458 20 5 HIBDRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000143897828 853525463 /nfs/dbraw/zinc/52/54/63/853525463.db2.gz LNNQVJRHMMXAOU-UHFFFAOYSA-N 0 0 414.425 4.164 20 5 HIBDRN O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])N1CCC[C@H](C(F)(F)F)C1 ZINC000145266945 853548551 /nfs/dbraw/zinc/54/85/51/853548551.db2.gz PIBQFLWBGCLFNN-INIZCTEOSA-N 0 0 408.376 4.442 20 5 HIBDRN COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000147109954 853583257 /nfs/dbraw/zinc/58/32/57/853583257.db2.gz UJHKYLZFGOLQOJ-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)c1 ZINC000147500439 853589723 /nfs/dbraw/zinc/58/97/23/853589723.db2.gz HWIQNWNDOGDHFK-UHFFFAOYSA-N 0 0 402.410 4.409 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000147830362 853595297 /nfs/dbraw/zinc/59/52/97/853595297.db2.gz DZZGKAXGKIEPKY-NRFANRHFSA-N 0 0 410.401 4.271 20 5 HIBDRN COc1ccc(Cl)cc1C1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CCOCC1 ZINC000148422404 853606619 /nfs/dbraw/zinc/60/66/19/853606619.db2.gz DIZRAPZLHZTUJN-UHFFFAOYSA-N 0 0 418.877 4.043 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C[C@H]3CCOC3)C3CC3)cc2[N+](=O)[O-])n1 ZINC000148885777 853614920 /nfs/dbraw/zinc/61/49/20/853614920.db2.gz WNZOEXUQJUJUQF-CYBMUJFWSA-N 0 0 419.528 4.152 20 5 HIBDRN O=C(NCc1sccc1Br)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000158101959 853644476 /nfs/dbraw/zinc/64/44/76/853644476.db2.gz QMRCBCNORWTOHH-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN CSc1ccc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)cc1[N+](=O)[O-] ZINC000195548478 853678395 /nfs/dbraw/zinc/67/83/95/853678395.db2.gz HUYPQOWMKXDAIM-UHFFFAOYSA-N 0 0 410.499 4.173 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000437260103 862491225 /nfs/dbraw/zinc/49/12/25/862491225.db2.gz ZVXRPCQRGRURKW-SAPNQHFASA-N 0 0 409.486 4.361 20 5 HIBDRN COc1cc(C(=O)NCc2nccs2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000195679166 853754130 /nfs/dbraw/zinc/75/41/30/853754130.db2.gz IOPLHNUILSIIPH-UHFFFAOYSA-N 0 0 419.846 4.436 20 5 HIBDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000195683179 853755805 /nfs/dbraw/zinc/75/58/05/853755805.db2.gz PYOHAPBMRHJDKA-AWEZNQCLSA-N 0 0 420.307 4.297 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)cc([N+](=O)[O-])c1 ZINC000195695529 853763547 /nfs/dbraw/zinc/76/35/47/853763547.db2.gz RIFFMVPINQUZNR-UHFFFAOYSA-N 0 0 407.249 4.370 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cc([N+](=O)[O-])c1 ZINC000195700221 853766341 /nfs/dbraw/zinc/76/63/41/853766341.db2.gz OSQTWPWEXWHRCA-UHFFFAOYSA-N 0 0 423.303 4.184 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000195733199 853784982 /nfs/dbraw/zinc/78/49/82/853784982.db2.gz FVKSTJLPKSKBQY-LBPRGKRZSA-N 0 0 413.293 4.047 20 5 HIBDRN O=C(CSc1n[nH]c(C=Cc2ccccc2)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000207212702 853802191 /nfs/dbraw/zinc/80/21/91/853802191.db2.gz ACPMCHVUUXMIGM-TWGQIWQCSA-N 0 0 415.862 4.268 20 5 HIBDRN C[C@H](OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000211549398 853816354 /nfs/dbraw/zinc/81/63/54/853816354.db2.gz IGBIDQOMIOEGPC-MCWZUMHDSA-N 0 0 408.332 4.197 20 5 HIBDRN O=C(Nc1nc(-c2cccnc2)cs1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000215701576 853836126 /nfs/dbraw/zinc/83/61/26/853836126.db2.gz UFGRUDCACNCGOK-UHFFFAOYSA-N 0 0 409.452 4.489 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Nc1ccccc1 ZINC000216326217 853849541 /nfs/dbraw/zinc/84/95/41/853849541.db2.gz XPDWIDOCFXYSPL-OAHLLOKOSA-N 0 0 404.426 4.095 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(CSC2CCOCC2)c1 ZINC000217219382 853861355 /nfs/dbraw/zinc/86/13/55/853861355.db2.gz VAUBPINEYIUOBN-UHFFFAOYSA-N 0 0 415.515 4.448 20 5 HIBDRN CSc1ccc(C(=O)N(C)Cc2cc(Br)ccc2F)cc1[N+](=O)[O-] ZINC000219941486 853873395 /nfs/dbraw/zinc/87/33/95/853873395.db2.gz YRJXKQFFWCZRMP-UHFFFAOYSA-N 0 0 413.268 4.491 20 5 HIBDRN C[S@](=O)Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1Cl ZINC000437270495 862510241 /nfs/dbraw/zinc/51/02/41/862510241.db2.gz UIVWONHHWHQPBV-MHZLTWQESA-N 0 0 420.796 4.398 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1I)c1ccc([N+](=O)[O-])cc1 ZINC000230203722 853895097 /nfs/dbraw/zinc/89/50/97/853895097.db2.gz ATXDGVCGZVHVAU-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN O=[N+]([O-])c1cccc(CNc2ccc(CCn3cc(Br)cn3)cc2)c1 ZINC000236588951 853900756 /nfs/dbraw/zinc/90/07/56/853900756.db2.gz MQXMQMOSRZDRCX-UHFFFAOYSA-N 0 0 401.264 4.409 20 5 HIBDRN CCc1cnc(CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)s1 ZINC000237015681 853951469 /nfs/dbraw/zinc/95/14/69/853951469.db2.gz JLLLHQAGHDVDPT-UHFFFAOYSA-N 0 0 413.499 4.491 20 5 HIBDRN COc1cc(CNCc2nccn2C(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237135234 853970369 /nfs/dbraw/zinc/97/03/69/853970369.db2.gz GAFHRMRVUGVJLM-UHFFFAOYSA-N 0 0 418.400 4.064 20 5 HIBDRN COc1ccccc1[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1noc(C)n1 ZINC000237237726 853988817 /nfs/dbraw/zinc/98/88/17/853988817.db2.gz KHCGRBXZGGWGMR-OAQYLSRUSA-N 0 0 420.425 4.434 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437274936 862519921 /nfs/dbraw/zinc/51/99/21/862519921.db2.gz OUYPHCHEJVTTDJ-IAGOWNOFSA-N 0 0 412.339 4.403 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000437275852 862522890 /nfs/dbraw/zinc/52/28/90/862522890.db2.gz LPEDDGPHMACHPF-JKSUJKDBSA-N 0 0 407.289 4.122 20 5 HIBDRN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1nnnn1-c1ccccc1 ZINC000237419140 854028317 /nfs/dbraw/zinc/02/83/17/854028317.db2.gz RKMGEVLREWJNIJ-CQSZACIVSA-N 0 0 406.471 4.150 20 5 HIBDRN C[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000237557562 854054384 /nfs/dbraw/zinc/05/43/84/854054384.db2.gz MKQXQGZYTXLBCX-ZDUSSCGKSA-N 0 0 413.865 4.429 20 5 HIBDRN O=C1CCCN1C[C@@H](NCc1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000237693248 854076918 /nfs/dbraw/zinc/07/69/18/854076918.db2.gz BGVPIRFSIUCDGN-OAHLLOKOSA-N 0 0 413.421 4.128 20 5 HIBDRN Cc1ccc(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000237802713 854100136 /nfs/dbraw/zinc/10/01/36/854100136.db2.gz JDGSEBWCHFCJCO-GOSISDBHSA-N 0 0 421.419 4.375 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CNCc3nncn3-c3ccccc3)o2)c(Cl)c1 ZINC000237818897 854103538 /nfs/dbraw/zinc/10/35/38/854103538.db2.gz 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4.092 20 5 HIBDRN CS(=O)(=O)c1ccc(N[C@@H](c2cccc(Cl)c2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000301689370 854445608 /nfs/dbraw/zinc/44/56/08/854445608.db2.gz YAJDXDXGLKYEFM-IBGZPJMESA-N 0 0 417.874 4.248 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNc2ncc(Br)cc2[N+](=O)[O-])c1 ZINC000301702877 854448200 /nfs/dbraw/zinc/44/82/00/854448200.db2.gz ULAGJOOWEBCFKJ-NSHDSACASA-N 0 0 407.268 4.349 20 5 HIBDRN CC(C)(C)OC(=O)NC1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301704397 854448926 /nfs/dbraw/zinc/44/89/26/854448926.db2.gz VCJYIGCWMQUGQH-UHFFFAOYSA-N 0 0 415.288 4.000 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)cc1 ZINC000301714254 854450679 /nfs/dbraw/zinc/45/06/79/854450679.db2.gz ZGVBKWWDPARMOL-UHFFFAOYSA-N 0 0 404.264 4.160 20 5 HIBDRN C[C@@H](Cc1cccc(Br)c1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301760871 854461484 /nfs/dbraw/zinc/46/14/84/854461484.db2.gz GBIWBWDKJAXTRG-JTQLQIEISA-N 0 0 403.236 4.049 20 5 HIBDRN O=[N+]([O-])c1c(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nc2sccn21 ZINC000301772667 854463304 /nfs/dbraw/zinc/46/33/04/854463304.db2.gz JVTSSYHIDCFCSJ-MRVPVSSYSA-N 0 0 403.411 4.163 20 5 HIBDRN O=C(c1cc(N2CC[C@H](Oc3ccccc3Cl)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301789506 854465883 /nfs/dbraw/zinc/46/58/83/854465883.db2.gz YFTQFYCTPZFMHG-INIZCTEOSA-N 0 0 415.877 4.142 20 5 HIBDRN O=Cc1cc(Oc2ncc([N+](=O)[O-])cc2Br)ccc1Br ZINC000301795142 854466805 /nfs/dbraw/zinc/46/68/05/854466805.db2.gz YGTBLNXQSDAYKU-UHFFFAOYSA-N 0 0 401.998 4.120 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(Sc2nnc(-c3cccnc3)n2Cc2ccco2)c(F)c1 ZINC000301792942 854466810 /nfs/dbraw/zinc/46/68/10/854466810.db2.gz OUKBCFRKHWMDPH-UHFFFAOYSA-N 0 0 415.381 4.319 20 5 HIBDRN CSc1ccccc1NC(=O)CN(C)c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301814341 854470488 /nfs/dbraw/zinc/47/04/88/854470488.db2.gz COIRFWLVRMCHMU-UHFFFAOYSA-N 0 0 423.498 4.157 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000301819442 854470884 /nfs/dbraw/zinc/47/08/84/854470884.db2.gz UXXXUROSBOOAJL-IBGZPJMESA-N 0 0 419.437 4.103 20 5 HIBDRN O=C(NC1CC1)c1ccc(N2CCC(Oc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000301829633 854471789 /nfs/dbraw/zinc/47/17/89/854471789.db2.gz REIBHVGEAYOZNR-UHFFFAOYSA-N 0 0 415.877 4.188 20 5 HIBDRN O=C1OCCN1c1cccc2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC000301848003 854475473 /nfs/dbraw/zinc/47/54/73/854475473.db2.gz CGMJTQWOFASXJX-UHFFFAOYSA-N 0 0 416.437 4.176 20 5 HIBDRN O=C(c1ccsc1)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301861607 854478589 /nfs/dbraw/zinc/47/85/89/854478589.db2.gz FGGVKAOFYLLMTB-UHFFFAOYSA-N 0 0 408.483 4.071 20 5 HIBDRN COc1cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)c(F)cc1[N+](=O)[O-] ZINC000301867294 854479334 /nfs/dbraw/zinc/47/93/34/854479334.db2.gz HNIHRVZCGKVQTQ-QGZVFWFLSA-N 0 0 411.227 4.083 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N1CCC(Oc2ccccc2Cl)CC1 ZINC000301863961 854479489 /nfs/dbraw/zinc/47/94/89/854479489.db2.gz AYCFNXDUQOSLSB-UHFFFAOYSA-N 0 0 412.671 4.454 20 5 HIBDRN CN(Cc1ccc(Br)s1)c1c(Br)cncc1[N+](=O)[O-] ZINC000301889553 854485005 /nfs/dbraw/zinc/48/50/05/854485005.db2.gz NLBRCNDGKXXQRB-UHFFFAOYSA-N 0 0 407.087 4.213 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000301889237 854485350 /nfs/dbraw/zinc/48/53/50/854485350.db2.gz NKFVIPYKVHTWCF-UHFFFAOYSA-N 0 0 416.279 4.226 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1Cl ZINC000301888991 854485361 /nfs/dbraw/zinc/48/53/61/854485361.db2.gz LEJIGDHTYHNBIS-SFHVURJKSA-N 0 0 408.813 4.060 20 5 HIBDRN CC(C)(C)Oc1cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)ccc1[N+](=O)[O-] ZINC000301900571 854488391 /nfs/dbraw/zinc/48/83/91/854488391.db2.gz ZFCKYEONKXWRIX-UHFFFAOYSA-N 0 0 419.428 4.013 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1NCc1ccc(OCc2ccccn2)cc1 ZINC000301904703 854489028 /nfs/dbraw/zinc/48/90/28/854489028.db2.gz YFORXHRPCFQOQS-UHFFFAOYSA-N 0 0 415.247 4.338 20 5 HIBDRN O=C(Nc1cccc(CNc2c(Br)cncc2[N+](=O)[O-])c1)C1CCC1 ZINC000301903640 854489196 /nfs/dbraw/zinc/48/91/96/854489196.db2.gz XNDGBWTXYJIXCH-UHFFFAOYSA-N 0 0 405.252 4.103 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301917415 854492024 /nfs/dbraw/zinc/49/20/24/854492024.db2.gz HQUMJXUDHDZGEA-GOSISDBHSA-N 0 0 417.469 4.136 20 5 HIBDRN Cc1cc([N+](=O)[O-])cnc1Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000301931960 854496562 /nfs/dbraw/zinc/49/65/62/854496562.db2.gz OJYHDJNMRZVPEI-UHFFFAOYSA-N 0 0 417.418 4.055 20 5 HIBDRN CCOc1cccc2cc([C@@H](C)Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])oc21 ZINC000301941753 854500501 /nfs/dbraw/zinc/50/05/01/854500501.db2.gz XADHMCMWPHYWBJ-SNVBAGLBSA-N 0 0 410.473 4.378 20 5 HIBDRN O=C1CCCN1CC[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)c2ccccc21 ZINC000301954333 854503916 /nfs/dbraw/zinc/50/39/16/854503916.db2.gz KLDSPANCFXDYSY-MRXNPFEDSA-N 0 0 402.454 4.391 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1)Nc1cccc(F)c1 ZINC000301955178 854503939 /nfs/dbraw/zinc/50/39/39/854503939.db2.gz LAGDESIFSNNFKR-OAHLLOKOSA-N 0 0 423.448 4.320 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000301964074 854505658 /nfs/dbraw/zinc/50/56/58/854505658.db2.gz VPCWJFDNQUUTMD-OCCSQVGLSA-N 0 0 416.634 4.487 20 5 HIBDRN COc1ccc(-n2c(Sc3ccc([N+](=O)[O-])c(C)c3)nnc2-c2cnccn2)cc1 ZINC000301968974 854506450 /nfs/dbraw/zinc/50/64/50/854506450.db2.gz ZNAARTGWHGYNDW-UHFFFAOYSA-N 0 0 420.454 4.101 20 5 HIBDRN CCOc1cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000301969862 854507511 /nfs/dbraw/zinc/50/75/11/854507511.db2.gz CMPQTRYRUOEFKL-VQTJNVASSA-N 0 0 405.882 4.131 20 5 HIBDRN O=[N+]([O-])c1ccsc1NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000302002308 854514509 /nfs/dbraw/zinc/51/45/09/854514509.db2.gz SKWOYHOZLDASTO-UHFFFAOYSA-N 0 0 413.478 4.129 20 5 HIBDRN O=[N+]([O-])c1cccnc1N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000302052098 854522716 /nfs/dbraw/zinc/52/27/16/854522716.db2.gz XSZPAMLKSVWJGK-UHFFFAOYSA-N 0 0 417.238 4.493 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302063374 854524540 /nfs/dbraw/zinc/52/45/40/854524540.db2.gz DGGCQHFHWDNDMH-SECBINFHSA-N 0 0 408.423 4.122 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC000302071051 854526201 /nfs/dbraw/zinc/52/62/01/854526201.db2.gz FEYBGYAAXVXCMP-LJAQVGFWSA-N 0 0 410.451 4.433 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NCc2ccc(N3CCOC3=O)cc2)c([N+](=O)[O-])c1 ZINC000302069549 854526355 /nfs/dbraw/zinc/52/63/55/854526355.db2.gz GGLNMBMTTMGALI-UHFFFAOYSA-N 0 0 417.421 4.395 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccc(F)cc3)C2)nc1OCc1ccccc1 ZINC000302170391 854541359 /nfs/dbraw/zinc/54/13/59/854541359.db2.gz LTPKPOBOLHFAGV-HXUWFJFHSA-N 0 0 409.417 4.286 20 5 HIBDRN O=c1[nH]cnc2cc(NC[C@H](O)c3ccc(-c4ccccc4)cc3)c([N+](=O)[O-])cc12 ZINC000302208097 854549654 /nfs/dbraw/zinc/54/96/54/854549654.db2.gz XLEFKTWBOVGSLF-NRFANRHFSA-N 0 0 402.410 4.056 20 5 HIBDRN COc1cc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c(F)cc1[N+](=O)[O-] ZINC000302211935 854550697 /nfs/dbraw/zinc/55/06/97/854550697.db2.gz YVIIQHWEYSUQOB-KRWDZBQOSA-N 0 0 400.328 4.339 20 5 HIBDRN CCOc1cccc(N2CCO[C@H](c3ccccc3Br)C2)c1[N+](=O)[O-] ZINC000302229847 854553059 /nfs/dbraw/zinc/55/30/59/854553059.db2.gz RNOVKZBMQPRINW-KRWDZBQOSA-N 0 0 407.264 4.334 20 5 HIBDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3Cl)n2-c2ccccc2)nc1 ZINC000302241973 854556173 /nfs/dbraw/zinc/55/61/73/854556173.db2.gz YEYPZWMVGDTABR-UHFFFAOYSA-N 0 0 410.846 4.437 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000302265136 854557814 /nfs/dbraw/zinc/55/78/14/854557814.db2.gz QOPZUEKQFYDPRT-XMMPIXPASA-N 0 0 400.434 4.462 20 5 HIBDRN Cc1cc(N2CCO[C@H](c3ccc(F)cc3F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302388366 854567575 /nfs/dbraw/zinc/56/75/75/854567575.db2.gz HWCARMUBKFLSQZ-IBGZPJMESA-N 0 0 412.396 4.216 20 5 HIBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000302389709 854567706 /nfs/dbraw/zinc/56/77/06/854567706.db2.gz IEEJFXGMCGTSIH-IBGZPJMESA-N 0 0 409.467 4.009 20 5 HIBDRN COc1cc(N2CCO[C@H](c3ccc(F)c(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000302460465 854572923 /nfs/dbraw/zinc/57/29/23/854572923.db2.gz VFEJIQODYBNIHF-KRWDZBQOSA-N 0 0 411.227 4.083 20 5 HIBDRN Cc1cc(NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302523854 854580083 /nfs/dbraw/zinc/58/00/83/854580083.db2.gz JMADJTRMTGOTOH-KSSFIOAISA-N 0 0 410.396 4.256 20 5 HIBDRN Cc1ccc(Br)cc1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000302569518 854587631 /nfs/dbraw/zinc/58/76/31/854587631.db2.gz PYYKPHLXSWFDSS-UHFFFAOYSA-N 0 0 404.264 4.170 20 5 HIBDRN Cc1cc(N2CCC(NC(=O)c3ccccc3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302646517 854597908 /nfs/dbraw/zinc/59/79/08/854597908.db2.gz FRCGFIJPRXKZLD-UHFFFAOYSA-N 0 0 418.291 4.065 20 5 HIBDRN Cc1cc(NCc2ccc(N3CCOC3=O)cc2)c(Br)cc1[N+](=O)[O-] ZINC000302652838 854598892 /nfs/dbraw/zinc/59/88/92/854598892.db2.gz GWPDFAQEKQHCNN-UHFFFAOYSA-N 0 0 406.236 4.234 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(COCc2ccco2)c1 ZINC000302662787 854599872 /nfs/dbraw/zinc/59/98/72/854599872.db2.gz PIIWBBSUHMYDHH-UHFFFAOYSA-N 0 0 402.428 4.052 20 5 HIBDRN Cc1nc(-c2ccc(CCNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2)cs1 ZINC000302702843 854608078 /nfs/dbraw/zinc/60/80/78/854608078.db2.gz ITCIGOGGMGTKQY-UHFFFAOYSA-N 0 0 417.512 4.085 20 5 HIBDRN Cc1cc(N[C@H](C)c2ccc3c(c2)NC(=O)CO3)c(Br)cc1[N+](=O)[O-] ZINC000302717202 854610947 /nfs/dbraw/zinc/61/09/47/854610947.db2.gz YQSDJUGUQXTLOT-SNVBAGLBSA-N 0 0 406.236 4.170 20 5 HIBDRN COc1cccc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000302721438 854612423 /nfs/dbraw/zinc/61/24/23/854612423.db2.gz MDPCXAPDAUFFOX-UHFFFAOYSA-N 0 0 405.495 4.221 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000302792034 854634611 /nfs/dbraw/zinc/63/46/11/854634611.db2.gz YVEGLHRDVTVWCH-CYBMUJFWSA-N 0 0 414.405 4.011 20 5 HIBDRN Cc1cc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C)n1C(C)C ZINC000302840424 854651268 /nfs/dbraw/zinc/65/12/68/854651268.db2.gz AVCFXELWTQTQSC-LJQANCHMSA-N 0 0 415.490 4.407 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000302839468 854651760 /nfs/dbraw/zinc/65/17/60/854651760.db2.gz ZFFKMGOZKBBAOA-KRWDZBQOSA-N 0 0 403.866 4.078 20 5 HIBDRN COc1cc([C@@H]2NC(=O)c3ccccc3N2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000302914261 854677291 /nfs/dbraw/zinc/67/72/91/854677291.db2.gz SQWNESXZBAPOEZ-JOCHJYFZSA-N 0 0 419.437 4.061 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000302932615 854684837 /nfs/dbraw/zinc/68/48/37/854684837.db2.gz GFDQVLDNBQVPGR-UHFFFAOYSA-N 0 0 416.474 4.292 20 5 HIBDRN O=C(Nc1ccc(OCC2CCCCC2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000303018726 854725759 /nfs/dbraw/zinc/72/57/59/854725759.db2.gz LHEJEORGTDXXST-UHFFFAOYSA-N 0 0 421.457 4.387 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC ZINC000437329912 862599136 /nfs/dbraw/zinc/59/91/36/862599136.db2.gz WHLVPZVATUWZGA-PKOBYXMFSA-N 0 0 406.438 4.441 20 5 HIBDRN Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n[nH]2)c1 ZINC000303102424 854760976 /nfs/dbraw/zinc/76/09/76/854760976.db2.gz ICUFURARQAJUAR-UHFFFAOYSA-N 0 0 405.458 4.454 20 5 HIBDRN Cc1sc(C(=O)NCc2cc(Br)ccc2OC(F)F)cc1[N+](=O)[O-] ZINC000303108005 854764341 /nfs/dbraw/zinc/76/43/41/854764341.db2.gz NCXSOGQCRIBJQX-UHFFFAOYSA-N 0 0 421.219 4.259 20 5 HIBDRN COc1ccc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000303142675 854782364 /nfs/dbraw/zinc/78/23/64/854782364.db2.gz MLKIKANVCOWEHX-UHFFFAOYSA-N 0 0 411.380 4.131 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000437334041 862605696 /nfs/dbraw/zinc/60/56/96/862605696.db2.gz DEESBMHBMGUCEJ-JKSUJKDBSA-N 0 0 412.243 4.191 20 5 HIBDRN O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000303195330 854812239 /nfs/dbraw/zinc/81/22/39/854812239.db2.gz WDZIYHDOCKSDCT-UHFFFAOYSA-N 0 0 418.457 4.110 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cnn1-c1cccc(Br)c1 ZINC000303271479 854844591 /nfs/dbraw/zinc/84/45/91/854844591.db2.gz JTKUVIKODBQUOG-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN Cc1cccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)cn21 ZINC000303365803 854894716 /nfs/dbraw/zinc/89/47/16/854894716.db2.gz IQCGPWLDCYIITN-UHFFFAOYSA-N 0 0 402.410 4.273 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCCc3c(F)ccc(C)c32)cc1[N+](=O)[O-] ZINC000303386129 854904008 /nfs/dbraw/zinc/90/40/08/854904008.db2.gz XIFFSWFGLXIXDN-UHFFFAOYSA-N 0 0 404.463 4.264 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@@H](C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000303434770 854935707 /nfs/dbraw/zinc/93/57/07/854935707.db2.gz DBVYCZHRTSASTD-HNNXBMFYSA-N 0 0 415.515 4.490 20 5 HIBDRN CCC(CC)[C@H](O)CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000303438172 854938765 /nfs/dbraw/zinc/93/87/65/854938765.db2.gz FAPXNIFHNJJWMT-OAHLLOKOSA-N 0 0 409.533 4.038 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1NC(=O)C(C)(C)C ZINC000303465943 854965210 /nfs/dbraw/zinc/96/52/10/854965210.db2.gz MMXPJRFEUSHSJQ-UHFFFAOYSA-N 0 0 422.441 4.394 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2F)cc1SC ZINC000303545294 855031966 /nfs/dbraw/zinc/03/19/66/855031966.db2.gz VHAZKDOHWGXGDD-UHFFFAOYSA-N 0 0 415.240 4.479 20 5 HIBDRN Cc1nc2c(s1)[C@H](N(C)C(=O)Cn1c3ccccc3c(=O)c3ccccc31)CCC2 ZINC000303556997 855038650 /nfs/dbraw/zinc/03/86/50/855038650.db2.gz WWWBUSCQSQIACM-OAQYLSRUSA-N 0 0 417.534 4.456 20 5 HIBDRN COc1ccc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000303603734 855072569 /nfs/dbraw/zinc/07/25/69/855072569.db2.gz AMNDVXXGTOMRQS-GDLZYMKVSA-N 0 0 416.499 4.437 20 5 HIBDRN C[C@@H]1SCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000303651992 855107422 /nfs/dbraw/zinc/10/74/22/855107422.db2.gz BIWWTFATTWNTPL-ORAYPTAESA-N 0 0 405.907 4.365 20 5 HIBDRN CC(C)(C)c1ccc(SCC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000303667945 855119454 /nfs/dbraw/zinc/11/94/54/855119454.db2.gz CRERZRIBKKQYOV-MRXNPFEDSA-N 0 0 414.531 4.092 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000303713360 855147446 /nfs/dbraw/zinc/14/74/46/855147446.db2.gz QIZDXYZQMVVACY-HNNXBMFYSA-N 0 0 418.457 4.202 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1[N+](=O)[O-] ZINC000303735853 855161049 /nfs/dbraw/zinc/16/10/49/855161049.db2.gz GMOMRBGFJFWREN-UHFFFAOYSA-N 0 0 401.810 4.363 20 5 HIBDRN O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303760945 855180708 /nfs/dbraw/zinc/18/07/08/855180708.db2.gz OJVCCYHHSUMABX-NHCUHLMSSA-N 0 0 407.514 4.339 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000303762685 855182052 /nfs/dbraw/zinc/18/20/52/855182052.db2.gz LENHVHRBAFXPRH-HZPDHXFCSA-N 0 0 408.332 4.142 20 5 HIBDRN CCn1c2ccccc2nc1SCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000303808390 855212097 /nfs/dbraw/zinc/21/20/97/855212097.db2.gz NAGACYAWXYRZMW-UHFFFAOYSA-N 0 0 412.515 4.196 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437367370 862658383 /nfs/dbraw/zinc/65/83/83/862658383.db2.gz WKQUDOAQVGRGOY-UHFFFAOYSA-N 0 0 421.375 4.492 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(COC3CCCC3)cc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000303890579 855272885 /nfs/dbraw/zinc/27/28/85/855272885.db2.gz ZKZWSLUYXLIQPZ-UHFFFAOYSA-N 0 0 421.457 4.195 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n(-c2ccc(F)cc2)n1 ZINC000437367642 862661645 /nfs/dbraw/zinc/66/16/45/862661645.db2.gz XHKPNDKHZLMSNP-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H](Cc2ccccc2)c2ccccc2F)c(C)c1[N+](=O)[O-] ZINC000303913869 855286007 /nfs/dbraw/zinc/28/60/07/855286007.db2.gz UURGYSUQFRVGDX-HXUWFJFHSA-N 0 0 410.449 4.038 20 5 HIBDRN CCOc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c([N+](=O)[O-])cc1OCC ZINC000303938734 855304760 /nfs/dbraw/zinc/30/47/60/855304760.db2.gz WWMWTUITHBFLKB-QWHCGFSZSA-N 0 0 406.385 4.413 20 5 HIBDRN CCCC(=O)Nc1ccc(C(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000303942282 855307579 /nfs/dbraw/zinc/30/75/79/855307579.db2.gz SZAOLNFMFNZDIT-UHFFFAOYSA-N 0 0 421.247 4.358 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000437370818 862666106 /nfs/dbraw/zinc/66/61/06/862666106.db2.gz HBYRVGSMEZBXSA-ZBFHGGJFSA-N 0 0 403.385 4.056 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000304001103 855339796 /nfs/dbraw/zinc/33/97/96/855339796.db2.gz KGEJRQUKJNBKET-UHFFFAOYSA-N 0 0 403.866 4.348 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000304062162 855347828 /nfs/dbraw/zinc/34/78/28/855347828.db2.gz RMVUPZQSBBXOAS-OAQYLSRUSA-N 0 0 421.522 4.115 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Cl)cc1Br ZINC000317886604 855382219 /nfs/dbraw/zinc/38/22/19/855382219.db2.gz OAYGELNPOGEEMO-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc3cc(Br)ccc3c2)n1 ZINC000328199695 855421999 /nfs/dbraw/zinc/42/19/99/855421999.db2.gz PTMSIKFLLDYCGV-UHFFFAOYSA-N 0 0 403.188 4.484 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000391972194 855462242 /nfs/dbraw/zinc/46/22/42/855462242.db2.gz ZKLDMYAESJWTLU-SECBINFHSA-N 0 0 419.684 4.050 20 5 HIBDRN Cc1csc(-c2cccc(S(=O)(=O)NCc3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000409502675 855512323 /nfs/dbraw/zinc/51/23/23/855512323.db2.gz PALMSKKPSDXRHK-UHFFFAOYSA-N 0 0 423.903 4.159 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000409555013 855539276 /nfs/dbraw/zinc/53/92/76/855539276.db2.gz RPTFFXXFADIBHH-UHFFFAOYSA-N 0 0 402.472 4.455 20 5 HIBDRN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000409611490 855564211 /nfs/dbraw/zinc/56/42/11/855564211.db2.gz JIMQBZRLAGJHMB-UHFFFAOYSA-N 0 0 422.422 4.223 20 5 HIBDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437382437 862695968 /nfs/dbraw/zinc/69/59/68/862695968.db2.gz HUVGDPZNFDHJEJ-FQEVSTJZSA-N 0 0 411.458 4.349 20 5 HIBDRN CSc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000409645065 855580589 /nfs/dbraw/zinc/58/05/89/855580589.db2.gz NBNQOBBOCGISET-CQSZACIVSA-N 0 0 421.544 4.274 20 5 HIBDRN Cc1ccc(NC(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cc1[N+](=O)[O-] ZINC000409678396 855598481 /nfs/dbraw/zinc/59/84/81/855598481.db2.gz LRBSKMZSBJJRKZ-UHFFFAOYSA-N 0 0 417.469 4.183 20 5 HIBDRN COC(=O)c1cc2cc(CSCCC(=O)Nc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000409840735 855681873 /nfs/dbraw/zinc/68/18/73/855681873.db2.gz BOXGCNMURXPTAD-UHFFFAOYSA-N 0 0 414.439 4.390 20 5 HIBDRN Cn1c2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2nc1C(F)F ZINC000409878207 855702456 /nfs/dbraw/zinc/70/24/56/855702456.db2.gz VHOYHBPGFCAEFV-UHFFFAOYSA-N 0 0 400.385 4.224 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409937369 855734261 /nfs/dbraw/zinc/73/42/61/855734261.db2.gz JGHZAGWXQGPYMG-DYVFJYSZSA-N 0 0 413.232 4.435 20 5 HIBDRN COCCN(Cc1ccc(F)cc1Cl)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000409960805 855746540 /nfs/dbraw/zinc/74/65/40/855746540.db2.gz MIGJHSAXUUZJLE-UHFFFAOYSA-N 0 0 412.870 4.155 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000409970471 855753314 /nfs/dbraw/zinc/75/33/14/855753314.db2.gz KJCXGMDIHJJRJO-BLLLJJGKSA-N 0 0 410.396 4.118 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000409979560 855758854 /nfs/dbraw/zinc/75/88/54/855758854.db2.gz LJPZRFLLWHDHLK-INIZCTEOSA-N 0 0 409.442 4.297 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1NC(=O)Cc1cccs1 ZINC000409979742 855758895 /nfs/dbraw/zinc/75/88/95/855758895.db2.gz MTELXWZLVJHYBL-UHFFFAOYSA-N 0 0 424.482 4.278 20 5 HIBDRN Cc1nnc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])n1[C@@H]1CCC[C@H](C)C1 ZINC000410029450 855786413 /nfs/dbraw/zinc/78/64/13/855786413.db2.gz ZQJRZOQEYCOZJS-DZGCQCFKSA-N 0 0 403.508 4.367 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCCc3c(C)noc3C)cc2[N+](=O)[O-])n1 ZINC000410040420 855793542 /nfs/dbraw/zinc/79/35/42/855793542.db2.gz YGXLADACDSWXGR-UHFFFAOYSA-N 0 0 418.500 4.088 20 5 HIBDRN CC[C@@H](C)[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000410076306 855809847 /nfs/dbraw/zinc/80/98/47/855809847.db2.gz XLWHRCAIUYDFIA-VLIAUNLRSA-N 0 0 418.457 4.174 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc(-c3ccnc(OC(F)F)c3)no2)c2ccccc12 ZINC000410164985 855846575 /nfs/dbraw/zinc/84/65/75/855846575.db2.gz MFPWZXUUWWMFOR-UHFFFAOYSA-N 0 0 420.375 4.249 20 5 HIBDRN CCS(=O)(=O)c1cccc(CNC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000410213437 855864873 /nfs/dbraw/zinc/86/48/73/855864873.db2.gz BSULQNOVANWNHJ-UHFFFAOYSA-N 0 0 404.491 4.112 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(Br)cccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000410252843 855882960 /nfs/dbraw/zinc/88/29/60/855882960.db2.gz OEHLRZWYRKBVLO-CQSZACIVSA-N 0 0 411.639 4.264 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC[C@H]3CCCC(F)(F)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000410265477 855890244 /nfs/dbraw/zinc/89/02/44/855890244.db2.gz HDIXYUUGUDNZKQ-INIZCTEOSA-N 0 0 406.433 4.012 20 5 HIBDRN COc1cccc(Cc2nnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)s2)c1 ZINC000410296822 855912390 /nfs/dbraw/zinc/91/23/90/855912390.db2.gz NJOOSPRZQDVCLJ-UHFFFAOYSA-N 0 0 410.411 4.044 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1c(F)cccc1Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000410319321 855925820 /nfs/dbraw/zinc/92/58/20/855925820.db2.gz URHAAPHYIMEZQM-AWEZNQCLSA-N 0 0 423.400 4.342 20 5 HIBDRN COc1c(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000410400028 855974845 /nfs/dbraw/zinc/97/48/45/855974845.db2.gz YBHWHUMLCSGEKK-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000410415531 855984539 /nfs/dbraw/zinc/98/45/39/855984539.db2.gz UYAAFRIXGMBDCB-UHFFFAOYSA-N 0 0 411.311 4.268 20 5 HIBDRN O=C(NCCc1cc2ccccc2[nH]1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425951313 856014739 /nfs/dbraw/zinc/01/47/39/856014739.db2.gz PDAPGLNJWIXFCN-UHFFFAOYSA-N 0 0 406.364 4.137 20 5 HIBDRN C[C@@H](COc1ccc(F)cc1F)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000425997557 856037609 /nfs/dbraw/zinc/03/76/09/856037609.db2.gz XUNDLAWVJACHBA-ZDUSSCGKSA-N 0 0 405.401 4.015 20 5 HIBDRN C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1 ZINC000426010385 856045268 /nfs/dbraw/zinc/04/52/68/856045268.db2.gz LQMJSPGWFGGWBK-XVGQJIODSA-N 0 0 417.897 4.189 20 5 HIBDRN O=C(NCCc1cccc(-c2ccccc2)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000426011579 856045882 /nfs/dbraw/zinc/04/58/82/856045882.db2.gz WZOMLFSJQPLJFE-UHFFFAOYSA-N 0 0 419.485 4.048 20 5 HIBDRN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426058395 856078880 /nfs/dbraw/zinc/07/88/80/856078880.db2.gz DVLRRBPMYWAPMT-IEBWSBKVSA-N 0 0 423.391 4.152 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000426075403 856089311 /nfs/dbraw/zinc/08/93/11/856089311.db2.gz XPUYVNIZNXOKMQ-YJBOKZPZSA-N 0 0 423.391 4.191 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1ccc(Cl)cc1F ZINC000426199192 856171449 /nfs/dbraw/zinc/17/14/49/856171449.db2.gz PXMNINBQUDMVKC-UHFFFAOYSA-N 0 0 405.735 4.406 20 5 HIBDRN CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000426236049 856193577 /nfs/dbraw/zinc/19/35/77/856193577.db2.gz FBVMKBMRIBBUIP-DOTOQJQBSA-N 0 0 417.428 4.397 20 5 HIBDRN COc1ccc(CN(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1C ZINC000426261170 856208168 /nfs/dbraw/zinc/20/81/68/856208168.db2.gz OPPDRCFFRGLUPY-UHFFFAOYSA-N 0 0 411.380 4.272 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000426260993 856208295 /nfs/dbraw/zinc/20/82/95/856208295.db2.gz NAGDJYMPPAQZHF-INIZCTEOSA-N 0 0 408.380 4.010 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC=C(c2ccccc2F)C1 ZINC000426264090 856208813 /nfs/dbraw/zinc/20/88/13/856208813.db2.gz PWEKHODOPTVLKD-UHFFFAOYSA-N 0 0 409.339 4.362 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1Cc2ccccc2C2(CC2)C1 ZINC000426266372 856211194 /nfs/dbraw/zinc/21/11/94/856211194.db2.gz IYOVYBASAPNTIG-UHFFFAOYSA-N 0 0 405.376 4.371 20 5 HIBDRN CCN(CCc1cccs1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426270537 856212167 /nfs/dbraw/zinc/21/21/67/856212167.db2.gz IWSJCMKLBDCYOH-UHFFFAOYSA-N 0 0 401.410 4.449 20 5 HIBDRN CCCN(CCc1ccccn1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426269342 856212322 /nfs/dbraw/zinc/21/23/22/856212322.db2.gz GAJSSBCHWZFZRK-UHFFFAOYSA-N 0 0 410.396 4.173 20 5 HIBDRN CN(Cc1cccc2[nH]ccc21)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426272647 856213579 /nfs/dbraw/zinc/21/35/79/856213579.db2.gz YZLBGELBPIGFSO-UHFFFAOYSA-N 0 0 406.364 4.437 20 5 HIBDRN CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC000426323657 856245663 /nfs/dbraw/zinc/24/56/63/856245663.db2.gz NHQOGDODWYOFAS-AWEZNQCLSA-N 0 0 408.545 4.378 20 5 HIBDRN Cc1nc2c(s1)CCC[C@@H]2C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000426324473 856246721 /nfs/dbraw/zinc/24/67/21/856246721.db2.gz QPGVMWBWZHXANY-ZDUSSCGKSA-N 0 0 413.421 4.371 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000426339652 856252204 /nfs/dbraw/zinc/25/22/04/856252204.db2.gz WRGFHCNKKZMLCL-JOCHJYFZSA-N 0 0 415.453 4.033 20 5 HIBDRN Cc1nc([C@@H]2CCCOC2)sc1-c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000426408431 856278198 /nfs/dbraw/zinc/27/81/98/856278198.db2.gz APHQLVDKBSGOLN-CQSZACIVSA-N 0 0 400.460 4.203 20 5 HIBDRN Cc1nn(C)c(C(=O)Nc2nc(-c3cccc4ccccc43)c(C)s2)c1[N+](=O)[O-] ZINC000426408852 856279396 /nfs/dbraw/zinc/27/93/96/856279396.db2.gz FQINURSMCPKPSE-UHFFFAOYSA-N 0 0 407.455 4.474 20 5 HIBDRN CC(C)(c1nc(-c2ccc(CN3CCCC3=O)cc2)no1)c1ccccc1[N+](=O)[O-] ZINC000426428006 856286027 /nfs/dbraw/zinc/28/60/27/856286027.db2.gz QOYMQKHTEGRMDD-UHFFFAOYSA-N 0 0 406.442 4.093 20 5 HIBDRN COCCN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000426497799 856321158 /nfs/dbraw/zinc/32/11/58/856321158.db2.gz FPARMZXERXFGJR-MRXNPFEDSA-N 0 0 406.866 4.278 20 5 HIBDRN Cc1cnc(OCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000426543525 856341468 /nfs/dbraw/zinc/34/14/68/856341468.db2.gz JJTXWEDMCGJOFM-NRFANRHFSA-N 0 0 409.417 4.064 20 5 HIBDRN CC1(C)CCC[C@H]1NC(=O)c1ccc(C(=O)N[C@@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000426627999 856382360 /nfs/dbraw/zinc/38/23/60/856382360.db2.gz JNMRSFFVSFHIHY-QZTJIDSGSA-N 0 0 401.507 4.212 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+]C[C@@H](CC(=O)[O-])c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000426633339 856384199 /nfs/dbraw/zinc/38/41/99/856384199.db2.gz FEBGLIOQTYFRLN-MRXNPFEDSA-N 0 0 410.426 4.212 20 5 HIBDRN CC(C)C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426644931 856391587 /nfs/dbraw/zinc/39/15/87/856391587.db2.gz FPHXKKOBXNNCTN-FQEVSTJZSA-N 0 0 408.458 4.036 20 5 HIBDRN CCCC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)[O-] ZINC000426647176 856392438 /nfs/dbraw/zinc/39/24/38/856392438.db2.gz OAYYNLYPZRGOEW-HNNXBMFYSA-N 0 0 411.252 4.350 20 5 HIBDRN O=C([O-])[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Oc1ccc(F)cc1 ZINC000426652713 856395134 /nfs/dbraw/zinc/39/51/34/856395134.db2.gz WPZRVEPGLFNWBZ-GOSISDBHSA-N 0 0 416.430 4.084 20 5 HIBDRN CCC1(CNC(=O)c2ccc(C(=O)NCC3(CC)CCC3)c([N+](=O)[O-])c2)CCC1 ZINC000426663447 856400782 /nfs/dbraw/zinc/40/07/82/856400782.db2.gz LTJMZIRENTVYPD-UHFFFAOYSA-N 0 0 401.507 4.215 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000426709771 856426308 /nfs/dbraw/zinc/42/63/08/856426308.db2.gz FHKUTCVVCYGLJU-QGZVFWFLSA-N 0 0 408.483 4.435 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCCC2(CCOCC2)C1 ZINC000426765763 856465932 /nfs/dbraw/zinc/46/59/32/856465932.db2.gz RZBQVBPUXWPSSA-UHFFFAOYSA-N 0 0 410.470 4.207 20 5 HIBDRN Cc1c(NC(=O)C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000437424128 862800661 /nfs/dbraw/zinc/80/06/61/862800661.db2.gz CJQHYXLMBMLDRI-UHFFFAOYSA-N 0 0 405.838 4.169 20 5 HIBDRN Cc1ccc(Sc2ccc(C[NH2+][C@@H](Cc3ccco3)C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000426814141 856493260 /nfs/dbraw/zinc/49/32/60/856493260.db2.gz CSGCJLJQEGSLER-SFHVURJKSA-N 0 0 412.467 4.433 20 5 HIBDRN COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1OC ZINC000426826289 856500692 /nfs/dbraw/zinc/50/06/92/856500692.db2.gz DOAGDYOMGHIVRG-QGZVFWFLSA-N 0 0 402.447 4.041 20 5 HIBDRN COC(=O)c1cc2cc(CSCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc2o1 ZINC000437438017 862808768 /nfs/dbraw/zinc/80/87/68/862808768.db2.gz YEQJYCNTYDKSND-UHFFFAOYSA-N 0 0 415.423 4.428 20 5 HIBDRN COC1CCC(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000426894419 856530160 /nfs/dbraw/zinc/53/01/60/856530160.db2.gz BJDYZULSQRCKFC-UHFFFAOYSA-N 0 0 419.503 4.013 20 5 HIBDRN CC[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000426904536 856535451 /nfs/dbraw/zinc/53/54/51/856535451.db2.gz HLHRJSQADAMSIR-QGZVFWFLSA-N 0 0 401.438 4.298 20 5 HIBDRN O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426974975 856572654 /nfs/dbraw/zinc/57/26/54/856572654.db2.gz PFXRBZZBKYFNEZ-FCHUYYIVSA-N 0 0 409.486 4.407 20 5 HIBDRN Cc1cnc([C@H](C)NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000427058519 856615044 /nfs/dbraw/zinc/61/50/44/856615044.db2.gz CNJNFNLZQZKYRJ-YDHLFZDLSA-N 0 0 402.520 4.333 20 5 HIBDRN Cc1cnc([C@@H](C)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 ZINC000427081069 856626030 /nfs/dbraw/zinc/62/60/30/856626030.db2.gz PUQLPSIGRKKNFP-UONOGXRCSA-N 0 0 411.487 4.419 20 5 HIBDRN C[C@H](c1cccc(Br)c1)S(=O)(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000427085306 856627126 /nfs/dbraw/zinc/62/71/26/856627126.db2.gz QKOGISZXJRILTB-SECBINFHSA-N 0 0 420.231 4.312 20 5 HIBDRN Cc1cc(=O)c(C(=O)N2CCC[C@H]2CCC2CCCC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000427100640 856635992 /nfs/dbraw/zinc/63/59/92/856635992.db2.gz NEEWSBOIRALLCI-SFHVURJKSA-N 0 0 424.501 4.024 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)n1 ZINC000427107554 856642904 /nfs/dbraw/zinc/64/29/04/856642904.db2.gz MSVLJCFHEUPIJD-UHFFFAOYSA-N 0 0 421.482 4.310 20 5 HIBDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437459259 862822481 /nfs/dbraw/zinc/82/24/81/862822481.db2.gz CIKWWJKPPIMOBV-AWEZNQCLSA-N 0 0 413.499 4.225 20 5 HIBDRN O=C(COc1ccc(Cl)c2cccnc12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437459743 862823406 /nfs/dbraw/zinc/82/34/06/862823406.db2.gz FAZYCPQQESTISP-UHFFFAOYSA-N 0 0 411.845 4.366 20 5 HIBDRN Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000427178509 856693667 /nfs/dbraw/zinc/69/36/67/856693667.db2.gz PEEGTWJPCMPFEU-GFCCVEGCSA-N 0 0 400.822 4.353 20 5 HIBDRN O=C(c1nn(-c2ccccc2F)c2c1CCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437463923 862826514 /nfs/dbraw/zinc/82/65/14/862826514.db2.gz BDNAXPDVXRYKAH-UHFFFAOYSA-N 0 0 420.444 4.213 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCC3)n1 ZINC000427200999 856708884 /nfs/dbraw/zinc/70/88/84/856708884.db2.gz VGCGWTYQCSLAHF-UHFFFAOYSA-N 0 0 424.482 4.153 20 5 HIBDRN CCn1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1C1CC1 ZINC000427204625 856711970 /nfs/dbraw/zinc/71/19/70/856711970.db2.gz OGIJEIJDHMESIU-UHFFFAOYSA-N 0 0 422.441 4.742 20 5 HIBDRN O=C(Nc1cccc(Oc2ccccn2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437464979 862827890 /nfs/dbraw/zinc/82/78/90/862827890.db2.gz DDMFKYYILXCFOM-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000437465693 862828089 /nfs/dbraw/zinc/82/80/89/862828089.db2.gz GFQAYPVFFKLYIM-UHFFFAOYSA-N 0 0 421.428 4.210 20 5 HIBDRN O=C(Nc1cc(CCc2ccccc2)ccn1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000427219499 856718686 /nfs/dbraw/zinc/71/86/86/856718686.db2.gz YQPUPJNPTMSSQZ-UHFFFAOYSA-N 0 0 414.421 4.281 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000427282183 856750458 /nfs/dbraw/zinc/75/04/58/856750458.db2.gz SAJKUWDRVDIUKW-UHFFFAOYSA-N 0 0 411.458 4.036 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000427332233 856777360 /nfs/dbraw/zinc/77/73/60/856777360.db2.gz SXRKLXXUUWOHTH-OAHLLOKOSA-N 0 0 420.849 4.457 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000437475404 862836554 /nfs/dbraw/zinc/83/65/54/862836554.db2.gz SQLUQJZWCLZNNQ-PKWAYOAASA-N 0 0 410.804 4.356 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCc2c(F)cc(Br)cc21 ZINC000427364249 856795375 /nfs/dbraw/zinc/79/53/75/856795375.db2.gz DOFWFLNBFZMMDW-UHFFFAOYSA-N 0 0 409.211 4.098 20 5 HIBDRN COc1cccc(C(NC(=O)c2ccc([N+](=O)[O-])cc2OC)c2cccc(OC)c2)c1 ZINC000427402737 856807399 /nfs/dbraw/zinc/80/73/99/856807399.db2.gz FGCYXFVLADUENC-UHFFFAOYSA-N 0 0 422.437 4.140 20 5 HIBDRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)o1 ZINC000437478461 862838138 /nfs/dbraw/zinc/83/81/38/862838138.db2.gz BXTFMMAGWPCDRG-XJKSGUPXSA-N 0 0 402.447 4.381 20 5 HIBDRN COC(=O)CC1(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1 ZINC000427438002 856820170 /nfs/dbraw/zinc/82/01/70/856820170.db2.gz BFYJZZOQKKKLEN-UHFFFAOYSA-N 0 0 418.833 4.256 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000427459371 856829729 /nfs/dbraw/zinc/82/97/29/856829729.db2.gz QUTNLPDJALDVOB-UHFFFAOYSA-N 0 0 415.421 4.011 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccccc3n2CCCc2ccccc2)n1 ZINC000427463701 856832023 /nfs/dbraw/zinc/83/20/23/856832023.db2.gz GSQKZCPVOFJKRT-UHFFFAOYSA-N 0 0 418.457 4.046 20 5 HIBDRN Cn1cc(-c2c[nH]cc2C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000427467220 856833860 /nfs/dbraw/zinc/83/38/60/856833860.db2.gz PDCQPJRTVPWAJX-UHFFFAOYSA-N 0 0 403.398 4.368 20 5 HIBDRN CN(CCc1ccccc1O)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427469937 856835199 /nfs/dbraw/zinc/83/51/99/856835199.db2.gz OPQKQHWFFHZOPM-UHFFFAOYSA-N 0 0 406.438 4.194 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC000427471485 856835200 /nfs/dbraw/zinc/83/52/00/856835200.db2.gz AOOSKCJWVQGPDM-UHFFFAOYSA-N 0 0 418.409 4.082 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000427489595 856839483 /nfs/dbraw/zinc/83/94/83/856839483.db2.gz YBGNJTCXMHUNKY-NSHDSACASA-N 0 0 410.257 4.334 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000427552925 856862669 /nfs/dbraw/zinc/86/26/69/856862669.db2.gz METAEDFPQKSBNG-BEVDRBHNSA-N 0 0 400.500 4.330 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000427605161 856884960 /nfs/dbraw/zinc/88/49/60/856884960.db2.gz WUZXIHHSYMGEKL-CQSZACIVSA-N 0 0 406.822 4.067 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)c2ccc(F)cc2)cc1 ZINC000427607103 856886224 /nfs/dbraw/zinc/88/62/24/856886224.db2.gz RDBVZGRIOROLQZ-OAQYLSRUSA-N 0 0 410.401 4.271 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000427625783 856891225 /nfs/dbraw/zinc/89/12/25/856891225.db2.gz HRODAHKBWBEHEN-UHFFFAOYSA-N 0 0 401.806 4.150 20 5 HIBDRN CC(=O)N[C@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000437489646 862848046 /nfs/dbraw/zinc/84/80/46/862848046.db2.gz INKZBQWIIAMNJQ-LJQANCHMSA-N 0 0 415.877 4.007 20 5 HIBDRN O=C(Nc1ccc(C2CCC2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000427687388 856908282 /nfs/dbraw/zinc/90/82/82/856908282.db2.gz VVGRXMIDWVNVKT-UHFFFAOYSA-N 0 0 405.357 4.041 20 5 HIBDRN COCCN(Cc1cc(Br)cs1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000427759708 856942069 /nfs/dbraw/zinc/94/20/69/856942069.db2.gz NTZRKBLEEFWBPK-UHFFFAOYSA-N 0 0 419.322 4.078 20 5 HIBDRN COCCN(Cc1cc(Br)cs1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000427763925 856944132 /nfs/dbraw/zinc/94/41/32/856944132.db2.gz VDTDNFZOGNSQCB-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCc2cc[nH]c(=O)c2C1 ZINC000427781571 856952058 /nfs/dbraw/zinc/95/20/58/856952058.db2.gz BMGLVDOZICIJQW-UHFFFAOYSA-N 0 0 407.451 4.045 20 5 HIBDRN Cc1cc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc(C)c1Br ZINC000427798505 856960389 /nfs/dbraw/zinc/96/03/89/856960389.db2.gz CXRWRGPIPMGPMV-UHFFFAOYSA-N 0 0 416.231 4.480 20 5 HIBDRN O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000427799059 856960515 /nfs/dbraw/zinc/96/05/15/856960515.db2.gz DURFXJLWPVXQOX-UHFFFAOYSA-N 0 0 408.245 4.057 20 5 HIBDRN O=C(c1cc2c(cc(Cl)cc2Cl)[nH]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000427805876 856964067 /nfs/dbraw/zinc/96/40/67/856964067.db2.gz FZCMLQPCSVOERC-UHFFFAOYSA-N 0 0 408.245 4.057 20 5 HIBDRN Cc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427881529 856992750 /nfs/dbraw/zinc/99/27/50/856992750.db2.gz ZLJVFRYDDFHPSY-UHFFFAOYSA-N 0 0 423.391 4.300 20 5 HIBDRN CCOc1ccc2nc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)sc2c1 ZINC000427900724 856999656 /nfs/dbraw/zinc/99/96/56/856999656.db2.gz IRNNPLPAYUHOIH-UHFFFAOYSA-N 0 0 424.438 4.169 20 5 HIBDRN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(OC(F)F)cc1 ZINC000427921952 857009023 /nfs/dbraw/zinc/00/90/23/857009023.db2.gz JPJZIWGAFBELOL-GFCCVEGCSA-N 0 0 417.368 4.001 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000427938171 857014697 /nfs/dbraw/zinc/01/46/97/857014697.db2.gz NUKWWJQEXSPKGV-UHFFFAOYSA-N 0 0 421.409 4.202 20 5 HIBDRN CSc1ccc(CCNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 ZINC000437521757 862865551 /nfs/dbraw/zinc/86/55/51/862865551.db2.gz DEZGHYYLVCDYRX-UHFFFAOYSA-N 0 0 424.526 4.151 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2ncc(-c3ccccc3Br)o2)cc1CO ZINC000428080270 857064814 /nfs/dbraw/zinc/06/48/14/857064814.db2.gz OIPXNKKZKRVCNP-UHFFFAOYSA-N 0 0 405.204 4.084 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000428136675 857085865 /nfs/dbraw/zinc/08/58/65/857085865.db2.gz KWOVIFCECINAOQ-GOSISDBHSA-N 0 0 404.430 4.356 20 5 HIBDRN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000428183810 857102206 /nfs/dbraw/zinc/10/22/06/857102206.db2.gz IBGLBRMUEBPGCQ-OAHLLOKOSA-N 0 0 418.272 4.415 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)c(Cl)cc1OC ZINC000428185066 857103285 /nfs/dbraw/zinc/10/32/85/857103285.db2.gz LNLPYXMVAKRPII-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)C2)cc1 ZINC000428332882 857157850 /nfs/dbraw/zinc/15/78/50/857157850.db2.gz TVKLLPHSNDOJDT-FUHWJXTLSA-N 0 0 405.454 4.235 20 5 HIBDRN COC(=O)[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cc(C)cc(C)c1 ZINC000428395264 857189762 /nfs/dbraw/zinc/18/97/62/857189762.db2.gz ZFPTZCCDHZQWFM-LJQANCHMSA-N 0 0 411.483 4.339 20 5 HIBDRN COc1cc(OCC(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000428435383 857203848 /nfs/dbraw/zinc/20/38/48/857203848.db2.gz ZFZYDGKUMCFNCT-UHFFFAOYSA-N 0 0 412.364 4.461 20 5 HIBDRN CCOc1cc(NC(=O)C(C)(C)c2ccc(OC)cc2)c([N+](=O)[O-])cc1OCC ZINC000428510443 857233241 /nfs/dbraw/zinc/23/32/41/857233241.db2.gz PSSCLWVZGOYMNN-UHFFFAOYSA-N 0 0 402.447 4.317 20 5 HIBDRN O=C(NCc1nc(-c2ccccc2F)cs1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000428543990 857253786 /nfs/dbraw/zinc/25/37/86/857253786.db2.gz JCGLTBCEUDVWDD-UHFFFAOYSA-N 0 0 423.372 4.389 20 5 HIBDRN CN(CC1(O)CCCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000428614678 857278891 /nfs/dbraw/zinc/27/88/91/857278891.db2.gz DUPFPPONRCTSAY-UHFFFAOYSA-N 0 0 411.502 4.364 20 5 HIBDRN CS(=O)(=O)c1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000428659330 857291714 /nfs/dbraw/zinc/29/17/14/857291714.db2.gz VIODARXXNXWUAT-UHFFFAOYSA-N 0 0 408.785 4.283 20 5 HIBDRN O=C(NC[C@H](CO)Cc1c(F)cccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000437575747 862894924 /nfs/dbraw/zinc/89/49/24/862894924.db2.gz AZANFZYDUAPSJD-SNVBAGLBSA-N 0 0 416.236 4.013 20 5 HIBDRN O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000428699056 857301125 /nfs/dbraw/zinc/30/11/25/857301125.db2.gz GZKMDTVKAQQVFN-ICSRJNTNSA-N 0 0 421.856 4.283 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCC[C@@H]3CCO)cc2[N+](=O)[O-])cc1 ZINC000428791185 857341412 /nfs/dbraw/zinc/34/14/12/857341412.db2.gz YYKSYNUHYDZDNV-CRAIPNDOSA-N 0 0 400.500 4.335 20 5 HIBDRN O=C(c1c(F)cc(Br)cc1F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437587171 862900695 /nfs/dbraw/zinc/90/06/95/862900695.db2.gz FARNMASZJUGMLE-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000428884704 857388937 /nfs/dbraw/zinc/38/89/37/857388937.db2.gz HWZOKOPGCIVUNT-SJORKVTESA-N 0 0 412.490 4.179 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc(OCc2ccccc2)cn1 ZINC000428898399 857400239 /nfs/dbraw/zinc/40/02/39/857400239.db2.gz AWJLHILNPWRJCV-UHFFFAOYSA-N 0 0 406.442 4.015 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)cc1[N+](=O)[O-] ZINC000429058112 857482593 /nfs/dbraw/zinc/48/25/93/857482593.db2.gz CTGFLPPWTKEBRC-INIZCTEOSA-N 0 0 412.490 4.480 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccccc2CN2CCSCC2)cc1[N+](=O)[O-] ZINC000429059896 857486201 /nfs/dbraw/zinc/48/62/01/857486201.db2.gz BJVUNEKSRVICHY-INIZCTEOSA-N 0 0 414.531 4.335 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)cc1[N+](=O)[O-] ZINC000429071686 857493339 /nfs/dbraw/zinc/49/33/39/857493339.db2.gz QVLPZJINLQXSAR-MRXNPFEDSA-N 0 0 410.474 4.330 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1[N+](=O)[O-] ZINC000429083798 857501102 /nfs/dbraw/zinc/50/11/02/857501102.db2.gz UGJZSYBCMNGYEP-INIZCTEOSA-N 0 0 410.474 4.298 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(Oc2ncnc(CC(C)C)c2I)c1 ZINC000429214528 857558324 /nfs/dbraw/zinc/55/83/24/857558324.db2.gz HHUYHQPVACKLKE-UHFFFAOYSA-N 0 0 413.215 4.289 20 5 HIBDRN O=C(CN1CCC(c2ncccc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429218817 857559653 /nfs/dbraw/zinc/55/96/53/857559653.db2.gz ZLGVSBFMJARNBO-UHFFFAOYSA-N 0 0 409.273 4.115 20 5 HIBDRN COc1ccc2cc(CN(C)C(=O)CNC(C)(C)c3ccccc3[N+](=O)[O-])ccc2c1 ZINC000429228271 857564060 /nfs/dbraw/zinc/56/40/60/857564060.db2.gz RZIWDVBUDQLIRZ-UHFFFAOYSA-N 0 0 421.497 4.240 20 5 HIBDRN CC(C)(NCc1nnc(-c2ccc(Br)o2)o1)c1ccccc1[N+](=O)[O-] ZINC000429254656 857576670 /nfs/dbraw/zinc/57/66/70/857576670.db2.gz LKVGXVSIIQIPPD-UHFFFAOYSA-N 0 0 407.224 4.025 20 5 HIBDRN CCCc1c(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC000429262223 857580532 /nfs/dbraw/zinc/58/05/32/857580532.db2.gz DYEUCATZRDKLME-UHFFFAOYSA-N 0 0 424.457 4.311 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000429385895 857635645 /nfs/dbraw/zinc/63/56/45/857635645.db2.gz YARRTMIMAFKUPY-INIZCTEOSA-N 0 0 423.473 4.250 20 5 HIBDRN Cc1noc(C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2)n1 ZINC000429515225 857710972 /nfs/dbraw/zinc/71/09/72/857710972.db2.gz NFPPKYKPBSSSTP-MRXNPFEDSA-N 0 0 408.439 4.215 20 5 HIBDRN Cc1noc(C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2)n1 ZINC000429515222 857710993 /nfs/dbraw/zinc/71/09/93/857710993.db2.gz NFPPKYKPBSSSTP-INIZCTEOSA-N 0 0 408.439 4.215 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000429579566 857765159 /nfs/dbraw/zinc/76/51/59/857765159.db2.gz MGMZRISTKLVAKO-UHFFFAOYSA-N 0 0 411.437 4.421 20 5 HIBDRN Cc1c(NCc2nc(-c3ccccc3F)no2)cc(Br)cc1[N+](=O)[O-] ZINC000429785622 857884174 /nfs/dbraw/zinc/88/41/74/857884174.db2.gz LUKHOIKXZOPNOI-UHFFFAOYSA-N 0 0 407.199 4.467 20 5 HIBDRN O=C(Nc1ccnn1CCc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429821938 857897169 /nfs/dbraw/zinc/89/71/69/857897169.db2.gz RYXCCPYDEWRTST-UHFFFAOYSA-N 0 0 415.247 4.049 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000437636969 862964800 /nfs/dbraw/zinc/96/48/00/862964800.db2.gz UYIMSUJZORUNPY-SAZUREKKSA-N 0 0 423.391 4.368 20 5 HIBDRN CC(C)OCCOCc1cccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429866901 857918996 /nfs/dbraw/zinc/91/89/96/857918996.db2.gz PAQKCQDYUFNOKC-UHFFFAOYSA-N 0 0 400.475 4.453 20 5 HIBDRN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429873435 857921410 /nfs/dbraw/zinc/92/14/10/857921410.db2.gz QVGZTCZJIUQEMZ-UHFFFAOYSA-N 0 0 403.154 4.306 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000437638447 862967493 /nfs/dbraw/zinc/96/74/93/862967493.db2.gz ADJHYOFEDSANRS-KOMQPUFPSA-N 0 0 423.391 4.368 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000429932644 857956750 /nfs/dbraw/zinc/95/67/50/857956750.db2.gz YWBYHKPRPIIOCV-VIFPVBQESA-N 0 0 415.190 4.450 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1ccco1)CC(F)(F)F ZINC000429943240 857960800 /nfs/dbraw/zinc/96/08/00/857960800.db2.gz FNGFKTOWVPPTDS-UHFFFAOYSA-N 0 0 407.142 4.155 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429942110 857961984 /nfs/dbraw/zinc/96/19/84/857961984.db2.gz JSVYXAYRJJTVII-GOSISDBHSA-N 0 0 412.243 4.272 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000429959037 857969063 /nfs/dbraw/zinc/96/90/63/857969063.db2.gz CALPTTQNPUMGDF-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1-n1cccn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430052116 858013289 /nfs/dbraw/zinc/01/32/89/858013289.db2.gz OIGRBKSZMJFDDF-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN CCOc1cc(NC(=O)CO[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OCC ZINC000430113860 858036903 /nfs/dbraw/zinc/03/69/03/858036903.db2.gz OIFQYXZUBHBIKL-LJQANCHMSA-N 0 0 414.458 4.425 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000430134547 858047781 /nfs/dbraw/zinc/04/77/81/858047781.db2.gz PASPATOLGROCKH-RXVVDRJESA-N 0 0 418.490 4.132 20 5 HIBDRN O=C(N[C@H]1Cc2cccc(O)c2C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000430265684 858101426 /nfs/dbraw/zinc/10/14/26/858101426.db2.gz ZWVRWWVJJDVXKK-INIZCTEOSA-N 0 0 406.463 4.349 20 5 HIBDRN CCc1cc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)ccc1C ZINC000430335628 858125139 /nfs/dbraw/zinc/12/51/39/858125139.db2.gz XARHHAUARMICQQ-UHFFFAOYSA-N 0 0 420.263 4.114 20 5 HIBDRN CCc1ccc2c(c1)[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)N2 ZINC000437653297 862988282 /nfs/dbraw/zinc/98/82/82/862988282.db2.gz UPNHGMGAJHXOAE-OAHLLOKOSA-N 0 0 421.375 4.032 20 5 HIBDRN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430403199 858146471 /nfs/dbraw/zinc/14/64/71/858146471.db2.gz UNGMRPMOBIBHKQ-OAQYLSRUSA-N 0 0 420.469 4.351 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccccc2NC(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000430417803 858151124 /nfs/dbraw/zinc/15/11/24/858151124.db2.gz VNVVPQVMXIWFBT-UHFFFAOYSA-N 0 0 405.410 4.173 20 5 HIBDRN CCc1noc(-c2ccc(C)c(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000430441806 858166026 /nfs/dbraw/zinc/16/60/26/858166026.db2.gz VHFWGPOOSAYFNS-UHFFFAOYSA-N 0 0 400.822 4.350 20 5 HIBDRN CCCn1ccnc1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000430481127 858190288 /nfs/dbraw/zinc/19/02/88/858190288.db2.gz FBXLZCRTPIYADR-UHFFFAOYSA-N 0 0 404.536 4.407 20 5 HIBDRN O=C(N[C@@H]1Cc2cccc(O)c2C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000430499496 858201158 /nfs/dbraw/zinc/20/11/58/858201158.db2.gz ZUSVWCVMXVFSRL-MRXNPFEDSA-N 0 0 412.511 4.480 20 5 HIBDRN CC(C)(NC(=O)Cn1c2ccccc2nc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000430532416 858209308 /nfs/dbraw/zinc/20/93/08/858209308.db2.gz XZNLIWSSWVQJGY-UHFFFAOYSA-N 0 0 406.364 4.015 20 5 HIBDRN COc1ccc(CSCC(=O)NC(C)(C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000430581157 858226500 /nfs/dbraw/zinc/22/65/00/858226500.db2.gz SSWBHNWJUUOROI-UHFFFAOYSA-N 0 0 410.442 4.166 20 5 HIBDRN O=C(NCc1ccc(-c2ccncc2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430604368 858234388 /nfs/dbraw/zinc/23/43/88/858234388.db2.gz QABGCFOMZRMFSG-UHFFFAOYSA-N 0 0 412.243 4.349 20 5 HIBDRN Cc1cncc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000430657782 858252022 /nfs/dbraw/zinc/25/20/22/858252022.db2.gz WNEXPPJWLBESFJ-UHFFFAOYSA-N 0 0 413.437 4.332 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000430668773 858259416 /nfs/dbraw/zinc/25/94/16/858259416.db2.gz YHYVZGPCDZINBW-YPMLDQLKSA-N 0 0 424.375 4.397 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2c3ccccc3S[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000430669916 858261507 /nfs/dbraw/zinc/26/15/07/858261507.db2.gz SFYKBSZASQNECF-OLZOCXBDSA-N 0 0 400.456 4.301 20 5 HIBDRN Cc1cc(OCC(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000430793164 858306885 /nfs/dbraw/zinc/30/68/85/858306885.db2.gz KMIIMOVANDPUFS-QGZVFWFLSA-N 0 0 400.328 4.015 20 5 HIBDRN Cc1nc2cc(Br)cc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)c2o1 ZINC000430802836 858309478 /nfs/dbraw/zinc/30/94/78/858309478.db2.gz OLRWTJSYYDPMHF-UHFFFAOYSA-N 0 0 420.219 4.133 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000430830180 858320822 /nfs/dbraw/zinc/32/08/22/858320822.db2.gz LOKLETOTFCUHIS-HNNXBMFYSA-N 0 0 421.478 4.486 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000430831787 858322218 /nfs/dbraw/zinc/32/22/18/858322218.db2.gz VRJDRZAOSQOJTN-OAHLLOKOSA-N 0 0 405.410 4.018 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc2N(Cc2ccccc2)C1=O ZINC000430834829 858323988 /nfs/dbraw/zinc/32/39/88/858323988.db2.gz ZEZXHPBKDHNSDF-KRWDZBQOSA-N 0 0 415.449 4.425 20 5 HIBDRN O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000430862213 858342093 /nfs/dbraw/zinc/34/20/93/858342093.db2.gz NYHGZVYGNUOUNM-SJLPKXTDSA-N 0 0 408.376 4.481 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000431047211 858417612 /nfs/dbraw/zinc/41/76/12/858417612.db2.gz BICFJZQYVAGCBM-GOEBONIOSA-N 0 0 404.264 4.055 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000431171465 858485513 /nfs/dbraw/zinc/48/55/13/858485513.db2.gz YPCUTNHBDKLFNP-DZGCQCFKSA-N 0 0 401.216 4.389 20 5 HIBDRN COCCCOc1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431182915 858492085 /nfs/dbraw/zinc/49/20/85/858492085.db2.gz OGOGMRUGBYHYJE-UHFFFAOYSA-N 0 0 423.263 4.333 20 5 HIBDRN CC(C)(NC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000431186622 858494240 /nfs/dbraw/zinc/49/42/40/858494240.db2.gz IMBZVTUQDMFJAY-KRWDZBQOSA-N 0 0 417.437 4.349 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1C ZINC000431227740 858517181 /nfs/dbraw/zinc/51/71/81/858517181.db2.gz BBFCBGUWCKHNMG-CYBMUJFWSA-N 0 0 407.264 4.230 20 5 HIBDRN C[C@H](NC(=O)COc1c(Br)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000431238631 858523847 /nfs/dbraw/zinc/52/38/47/858523847.db2.gz SEALNPVRCZBWSL-JTQLQIEISA-N 0 0 413.655 4.267 20 5 HIBDRN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431255894 858534868 /nfs/dbraw/zinc/53/48/68/858534868.db2.gz DQQGXEROWYLGMO-UHFFFAOYSA-N 0 0 423.311 4.316 20 5 HIBDRN Cc1c(NC(=O)c2cc(F)ccc2-n2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000431260980 858537499 /nfs/dbraw/zinc/53/74/99/858537499.db2.gz ZCEYMWWUQGFVQH-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000437699731 863034497 /nfs/dbraw/zinc/03/44/97/863034497.db2.gz LNWUPBNYHHILFL-OAHLLOKOSA-N 0 0 402.882 4.467 20 5 HIBDRN COc1ccc(OC)c(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431264096 858538376 /nfs/dbraw/zinc/53/83/76/858538376.db2.gz PPNBHOLAMYBHIP-UHFFFAOYSA-N 0 0 423.263 4.254 20 5 HIBDRN CN(C(=O)[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000431334136 858570125 /nfs/dbraw/zinc/57/01/25/858570125.db2.gz VNRQSIZYLRMJKS-QGZVFWFLSA-N 0 0 409.486 4.017 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1NCc1cccc(COCC(F)(F)F)c1 ZINC000431412014 858602474 /nfs/dbraw/zinc/60/24/74/858602474.db2.gz DIBWUFJVESHGFE-UHFFFAOYSA-N 0 0 420.185 4.443 20 5 HIBDRN Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431490343 858641949 /nfs/dbraw/zinc/64/19/49/858641949.db2.gz KMRBTRDOJQIHHY-QGZVFWFLSA-N 0 0 406.280 4.453 20 5 HIBDRN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000431495707 858643639 /nfs/dbraw/zinc/64/36/39/858643639.db2.gz RBMOVBJCCMOOPG-JTQLQIEISA-N 0 0 423.267 4.279 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000431498594 858644379 /nfs/dbraw/zinc/64/43/79/858644379.db2.gz ALERSHNDSKAXOY-GTNSWQLSSA-N 0 0 423.238 4.099 20 5 HIBDRN CC[C@@H](NC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000431624130 858696255 /nfs/dbraw/zinc/69/62/55/858696255.db2.gz KNFJARLMIGPRTJ-KBXCAEBGSA-N 0 0 409.446 4.080 20 5 HIBDRN CN(C)[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000431866010 858845842 /nfs/dbraw/zinc/84/58/42/858845842.db2.gz DIMABBVGFQZSBG-SFHVURJKSA-N 0 0 404.898 4.085 20 5 HIBDRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000431884402 858855264 /nfs/dbraw/zinc/85/52/64/858855264.db2.gz VPZLVNMFXVFZPH-UHFFFAOYSA-N 0 0 415.203 4.192 20 5 HIBDRN Cc1ccc([C@@H](C)N2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] ZINC000431933342 858877138 /nfs/dbraw/zinc/87/71/38/858877138.db2.gz AJJPYLQJSRPJPS-BDJLRTHQSA-N 0 0 418.247 4.020 20 5 HIBDRN Cc1nc(C2(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCCCCC2)no1 ZINC000431943418 858881372 /nfs/dbraw/zinc/88/13/72/858881372.db2.gz TVCUDEGSQBGCTI-UHFFFAOYSA-N 0 0 423.267 4.028 20 5 HIBDRN COc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1N1CCCCC1=O ZINC000431984749 858904120 /nfs/dbraw/zinc/90/41/20/858904120.db2.gz YDCOLIYKDGIVOL-UHFFFAOYSA-N 0 0 411.458 4.037 20 5 HIBDRN CCCCOc1ccc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000432001529 858916307 /nfs/dbraw/zinc/91/63/07/858916307.db2.gz QZFQXYFEFCNKAV-UHFFFAOYSA-N 0 0 400.475 4.376 20 5 HIBDRN Cc1cnc(Nc2cccc(Oc3ncc(Br)cn3)c2)c([N+](=O)[O-])c1 ZINC000432036904 858943216 /nfs/dbraw/zinc/94/32/16/858943216.db2.gz MLSXFKUPSPCMLK-UHFFFAOYSA-N 0 0 402.208 4.387 20 5 HIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432039304 858944432 /nfs/dbraw/zinc/94/44/32/858944432.db2.gz VGTSRZOIYAMPJG-CABCVRRESA-N 0 0 410.499 4.447 20 5 HIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432039306 858944849 /nfs/dbraw/zinc/94/48/49/858944849.db2.gz VGTSRZOIYAMPJG-GJZGRUSLSA-N 0 0 410.499 4.447 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H](Cc3ccc(Br)cc3)C2)s1 ZINC000432178123 859032196 /nfs/dbraw/zinc/03/21/96/859032196.db2.gz RUGGMWHPGQIUBD-GFCCVEGCSA-N 0 0 419.304 4.431 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432182445 859035022 /nfs/dbraw/zinc/03/50/22/859035022.db2.gz NJAUKKRWVRWFIG-UHFFFAOYSA-N 0 0 424.413 4.423 20 5 HIBDRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000432213053 859049867 /nfs/dbraw/zinc/04/98/67/859049867.db2.gz BSSGITLJDUPGRM-INIZCTEOSA-N 0 0 411.487 4.132 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ccco1)CC(F)(F)F ZINC000432214624 859051250 /nfs/dbraw/zinc/05/12/50/859051250.db2.gz IYZNFUQIZCHFIY-UHFFFAOYSA-N 0 0 407.142 4.155 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000432288284 859086392 /nfs/dbraw/zinc/08/63/92/859086392.db2.gz ZLHWVUMCRXUZNN-GFCCVEGCSA-N 0 0 401.271 4.080 20 5 HIBDRN O=C(C[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000432320903 859102190 /nfs/dbraw/zinc/10/21/90/859102190.db2.gz CEZRMENLWLQUJW-INIZCTEOSA-N 0 0 413.499 4.134 20 5 HIBDRN O=[N+]([O-])c1cccc2c(N3CCN(c4ncc(Cl)cc4Cl)CC3)ccnc21 ZINC000432340070 859110273 /nfs/dbraw/zinc/11/02/73/859110273.db2.gz WRSQCVDCZVKYGK-UHFFFAOYSA-N 0 0 404.257 4.171 20 5 HIBDRN C[C@H](Sc1nnc2n(C)c3ccccc3n12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000432385998 859137944 /nfs/dbraw/zinc/13/79/44/859137944.db2.gz HLNPBLGHUQRTES-NSHDSACASA-N 0 0 421.442 4.033 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CNc3ccc(C4CC4)nn3)o2)c(Br)c1 ZINC000432447537 859168697 /nfs/dbraw/zinc/16/86/97/859168697.db2.gz PTPFSZYSHGSFGN-UHFFFAOYSA-N 0 0 415.247 4.897 20 5 HIBDRN Cc1cnc(C2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)s1 ZINC000432461228 859174156 /nfs/dbraw/zinc/17/41/56/859174156.db2.gz HFRCDQXNNAHPRH-LBPRGKRZSA-N 0 0 409.895 4.187 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000432503878 859197685 /nfs/dbraw/zinc/19/76/85/859197685.db2.gz TWWQUAQKLSRBER-UHFFFAOYSA-N 0 0 415.515 4.122 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432577256 859235403 /nfs/dbraw/zinc/23/54/03/859235403.db2.gz YISRUXSYFVKBNE-OAHLLOKOSA-N 0 0 410.455 4.175 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N(Cc1ccco1)Cc1ccccc1 ZINC000432584837 859240453 /nfs/dbraw/zinc/24/04/53/859240453.db2.gz PZQGUJMWSMOGTP-UHFFFAOYSA-N 0 0 417.421 4.344 20 5 HIBDRN COc1cc(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)ccc1[N+](=O)[O-] ZINC000432584614 859240488 /nfs/dbraw/zinc/24/04/88/859240488.db2.gz ACFUGWXBYBIQCF-HNNXBMFYSA-N 0 0 410.455 4.175 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccco1 ZINC000432692539 859298716 /nfs/dbraw/zinc/29/87/16/859298716.db2.gz JLOLNOGWIFGRDV-UHFFFAOYSA-N 0 0 405.204 4.386 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC(C)(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000432705704 859307963 /nfs/dbraw/zinc/30/79/63/859307963.db2.gz HOKYZQXWDWXYLU-PZJWPPBQSA-N 0 0 421.497 4.047 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000432765159 859344138 /nfs/dbraw/zinc/34/41/38/859344138.db2.gz YIXOEPLPDYKROM-HNNXBMFYSA-N 0 0 412.490 4.488 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000432765161 859344147 /nfs/dbraw/zinc/34/41/47/859344147.db2.gz YIXOEPLPDYKROM-OAHLLOKOSA-N 0 0 412.490 4.488 20 5 HIBDRN CCOc1cccc(N2CCC(c3nc(-c4ccccc4OC)no3)CC2)c1[N+](=O)[O-] ZINC000432844468 859385183 /nfs/dbraw/zinc/38/51/83/859385183.db2.gz DKWCMVHBPKDNOB-UHFFFAOYSA-N 0 0 424.457 4.436 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](Oc4ccncc4)C3)c([N+](=O)[O-])c2)cc1 ZINC000432921038 859431335 /nfs/dbraw/zinc/43/13/35/859431335.db2.gz YEFZYXVMYVSKMR-HXUWFJFHSA-N 0 0 418.453 4.208 20 5 HIBDRN CC1(C)CCN(c2nc(N3CCSC(C)(C)CC3)c([N+](=O)[O-])s2)CCS1 ZINC000432926686 859433932 /nfs/dbraw/zinc/43/39/32/859433932.db2.gz HRNSMDMHAQBRAY-UHFFFAOYSA-N 0 0 416.638 4.495 20 5 HIBDRN C[C@H]1CN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000433025304 859485548 /nfs/dbraw/zinc/48/55/48/859485548.db2.gz JLZUGEWATYQEHP-PWFNWSNSSA-N 0 0 408.907 4.241 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[S@@](=O)C1 ZINC000433027489 859486955 /nfs/dbraw/zinc/48/69/55/859486955.db2.gz LFZJHIMRPMQDMI-LOKFHWFJSA-N 0 0 408.907 4.241 20 5 HIBDRN C[C@H]1CC[S@](=O)CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000433032485 859490646 /nfs/dbraw/zinc/49/06/46/859490646.db2.gz RKVCVVJXBBBJGL-PWFNWSNSSA-N 0 0 408.907 4.383 20 5 HIBDRN C[C@@H]1CC[S@@](=O)CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000433032483 859491123 /nfs/dbraw/zinc/49/11/23/859491123.db2.gz RKVCVVJXBBBJGL-LOKFHWFJSA-N 0 0 408.907 4.383 20 5 HIBDRN CCC[C@@H](C)C(=O)NCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000433163969 859548068 /nfs/dbraw/zinc/54/80/68/859548068.db2.gz CZPBBKFFCWTBDT-OAHLLOKOSA-N 0 0 414.462 4.061 20 5 HIBDRN O=C(CN1CCc2ccccc2C1=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000433374598 859663454 /nfs/dbraw/zinc/66/34/54/859663454.db2.gz NLLAVSYRJUYZAU-UHFFFAOYSA-N 0 0 417.421 4.024 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(Cl)c(F)c1 ZINC000433568998 859785030 /nfs/dbraw/zinc/78/50/30/859785030.db2.gz PCVMOPFLFDQTGB-HNNXBMFYSA-N 0 0 420.780 4.168 20 5 HIBDRN CCOC(=O)c1cc(NCCC(=O)Nc2cccc(Cl)c2C)ccc1[N+](=O)[O-] ZINC000433712343 859848887 /nfs/dbraw/zinc/84/88/87/859848887.db2.gz GCNLSJGERJMSHY-UHFFFAOYSA-N 0 0 405.838 4.174 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)c1[N+](=O)[O-] ZINC000433746885 859871936 /nfs/dbraw/zinc/87/19/36/859871936.db2.gz BSQHLUOCFVWVLV-UHFFFAOYSA-N 0 0 405.524 4.215 20 5 HIBDRN CN(Cc1ccccc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000433761959 859881624 /nfs/dbraw/zinc/88/16/24/859881624.db2.gz IMFGQWZCDNMKJR-UHFFFAOYSA-N 0 0 419.485 4.465 20 5 HIBDRN CCCCOc1ccc([C@@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1OC ZINC000433834756 859922539 /nfs/dbraw/zinc/92/25/39/859922539.db2.gz UWBVLKMZNZUATM-CYBMUJFWSA-N 0 0 404.467 4.120 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] ZINC000433870796 859944422 /nfs/dbraw/zinc/94/44/22/859944422.db2.gz SDFOGXFNKMWWMQ-UHFFFAOYSA-N 0 0 408.418 4.338 20 5 HIBDRN COC(=O)[C@H]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000433929930 859979008 /nfs/dbraw/zinc/97/90/08/859979008.db2.gz HFIMLPYIVGRUIF-DZGCQCFKSA-N 0 0 418.833 4.112 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)c1[N+](=O)[O-] ZINC000433932875 859981644 /nfs/dbraw/zinc/98/16/44/859981644.db2.gz SYKLJVCNOWHXNO-UHFFFAOYSA-N 0 0 405.458 4.256 20 5 HIBDRN CC[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC000434016068 860041726 /nfs/dbraw/zinc/04/17/26/860041726.db2.gz FYSCQUBHKUHQMK-LBPRGKRZSA-N 0 0 414.384 4.048 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2c(-c3ccco3)nc3ccccn32)cc1SC ZINC000434025376 860047857 /nfs/dbraw/zinc/04/78/57/860047857.db2.gz NBJVDKNSWAVBRR-UHFFFAOYSA-N 0 0 424.438 4.485 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1Cl ZINC000434197129 860183151 /nfs/dbraw/zinc/18/31/51/860183151.db2.gz OYAHTCGVVBQDCW-UHFFFAOYSA-N 0 0 421.885 4.265 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])n2)cc1Cl ZINC000434245052 860225582 /nfs/dbraw/zinc/22/55/82/860225582.db2.gz KTSJVCGKQHRSSM-UHFFFAOYSA-N 0 0 421.866 4.479 20 5 HIBDRN C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000434262990 860239568 /nfs/dbraw/zinc/23/95/68/860239568.db2.gz ZPHRVPWIHPCLDM-QHCPKHFHSA-N 0 0 404.470 4.266 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H](CC(F)(F)F)C1 ZINC000434281620 860249031 /nfs/dbraw/zinc/24/90/31/860249031.db2.gz IHCJYYWRFJYYJY-JTQLQIEISA-N 0 0 410.342 4.374 20 5 HIBDRN CC(C)Oc1ccc(Br)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000434320918 860281227 /nfs/dbraw/zinc/28/12/27/860281227.db2.gz HZAIPJOPIFLWNJ-UHFFFAOYSA-N 0 0 411.227 4.465 20 5 HIBDRN CCC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 ZINC000434335015 860296397 /nfs/dbraw/zinc/29/63/97/860296397.db2.gz LPUKEYKAUBMOIU-UHFFFAOYSA-N 0 0 424.194 4.044 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1[N+](=O)[O-] ZINC000434363907 860313396 /nfs/dbraw/zinc/31/33/96/860313396.db2.gz STZMJZZUUSHLMK-UHFFFAOYSA-N 0 0 405.458 4.308 20 5 HIBDRN Cc1ccc(-c2[nH]nc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)c2C)o1 ZINC000434435177 860350353 /nfs/dbraw/zinc/35/03/53/860350353.db2.gz QRTBBNWQQBNSIN-UHFFFAOYSA-N 0 0 423.473 4.683 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000434507078 860379388 /nfs/dbraw/zinc/37/93/88/860379388.db2.gz YGUZUBBHVGCHML-LJQANCHMSA-N 0 0 408.502 4.185 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1csc(CCc2ccccc2)n1 ZINC000434554557 860398738 /nfs/dbraw/zinc/39/87/38/860398738.db2.gz DOCVVEDRBYFHDK-UHFFFAOYSA-N 0 0 413.524 4.245 20 5 HIBDRN CCOc1ccc(C(=O)NCc2csc(CCc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000434557909 860399781 /nfs/dbraw/zinc/39/97/81/860399781.db2.gz HWSZLZIVGBYNBH-UHFFFAOYSA-N 0 0 411.483 4.165 20 5 HIBDRN CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434652319 860447379 /nfs/dbraw/zinc/44/73/79/860447379.db2.gz GJJFRQSATCSVIF-UHFFFAOYSA-N 0 0 409.229 4.113 20 5 HIBDRN Cc1occc1CN(C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434715511 860467744 /nfs/dbraw/zinc/46/77/44/860467744.db2.gz ZISMLYKQDZCYHH-GFCCVEGCSA-N 0 0 400.460 4.079 20 5 HIBDRN Cn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1-c1ccc(Cl)cc1 ZINC000434791995 860495839 /nfs/dbraw/zinc/49/58/39/860495839.db2.gz FSXXUIFIIGOXKM-UHFFFAOYSA-N 0 0 401.835 4.477 20 5 HIBDRN Cc1c(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cccc1[N+](=O)[O-] ZINC000467744254 881546966 /nfs/dbraw/zinc/54/69/66/881546966.db2.gz GDJPNCGMHUVGQY-UHFFFAOYSA-N 0 0 402.453 4.050 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCO[C@H](c4cccc(Br)c4)C3)nc2c1 ZINC000434838834 860515284 /nfs/dbraw/zinc/51/52/84/860515284.db2.gz BQNQXRHXKFVCRJ-KRWDZBQOSA-N 0 0 418.247 4.072 20 5 HIBDRN CN(CC(F)(F)F)C(=O)CNc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000434877728 860530781 /nfs/dbraw/zinc/53/07/81/860530781.db2.gz AJTGFPKXUOQUBN-UHFFFAOYSA-N 0 0 405.423 4.240 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@H]1C[C@H](C)CC[C@@H]1O ZINC000467749720 881554014 /nfs/dbraw/zinc/55/40/14/881554014.db2.gz QPFSMOINKAZTMU-OPNNQBFTSA-N 0 0 406.548 4.497 20 5 HIBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000435042522 860612269 /nfs/dbraw/zinc/61/22/69/860612269.db2.gz VBTHEVOTFZIXAX-LJQANCHMSA-N 0 0 416.428 4.283 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000467751391 881560507 /nfs/dbraw/zinc/56/05/07/881560507.db2.gz ASXRVNOVLRUJAM-VVBCARDSSA-N 0 0 404.510 4.083 20 5 HIBDRN Cc1nc(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)ccc1[N+](=O)[O-] ZINC000435266250 860708827 /nfs/dbraw/zinc/70/88/27/860708827.db2.gz GCVOXYLZHGYKAA-UHFFFAOYSA-N 0 0 423.212 4.424 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC1(Cc2ccccc2)CC1 ZINC000435275621 860713208 /nfs/dbraw/zinc/71/32/08/860713208.db2.gz UIZRKVNBEBXLMP-UHFFFAOYSA-N 0 0 403.276 4.039 20 5 HIBDRN CS[C@H]1CCCCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000435281330 860716133 /nfs/dbraw/zinc/71/61/33/860716133.db2.gz QQLKYQPECODJAZ-LBPRGKRZSA-N 0 0 408.467 4.450 20 5 HIBDRN COc1cccc(CN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000435325350 860736636 /nfs/dbraw/zinc/73/66/36/860736636.db2.gz ZQCQRDKUEFMOCD-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000435326281 860737384 /nfs/dbraw/zinc/73/73/84/860737384.db2.gz CGZHHBGTEBMNRE-HIFRSBDPSA-N 0 0 422.283 4.168 20 5 HIBDRN Cc1c(NC(=O)NC[C@H]2CCOc3ccccc32)cc(Br)cc1[N+](=O)[O-] ZINC000435326897 860738345 /nfs/dbraw/zinc/73/83/45/860738345.db2.gz FFPUOHCBXJNSOQ-GFCCVEGCSA-N 0 0 420.263 4.354 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435327763 860739281 /nfs/dbraw/zinc/73/92/81/860739281.db2.gz ISLZDIBZBJDTGC-CYBMUJFWSA-N 0 0 400.273 4.133 20 5 HIBDRN Cc1cc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc(C)c1O ZINC000435328936 860740793 /nfs/dbraw/zinc/74/07/93/860740793.db2.gz NNYGYZMHOIBUFP-UHFFFAOYSA-N 0 0 408.252 4.310 20 5 HIBDRN Cc1c(NC(=O)Nc2cnn([C@H](C)C3CC3)c2)cc(Br)cc1[N+](=O)[O-] ZINC000435331250 860742257 /nfs/dbraw/zinc/74/22/57/860742257.db2.gz ZOGADBRWTATGLX-SNVBAGLBSA-N 0 0 408.256 4.477 20 5 HIBDRN Cc1c(NC(=O)N(C)C[C@@H](C)c2nccs2)cc(Br)cc1[N+](=O)[O-] ZINC000435331027 860742281 /nfs/dbraw/zinc/74/22/81/860742281.db2.gz YFVLVZBCWOUVGK-SECBINFHSA-N 0 0 413.297 4.390 20 5 HIBDRN Cc1c(NC(=O)NCc2cccc3cc[nH]c32)cc(Br)cc1[N+](=O)[O-] ZINC000435331012 860742371 /nfs/dbraw/zinc/74/23/71/860742371.db2.gz YCWIGYHRJHWAHY-UHFFFAOYSA-N 0 0 403.236 4.469 20 5 HIBDRN Cc1c(NC(=O)NCc2cc(F)ccc2F)cc(Br)cc1[N+](=O)[O-] ZINC000435331057 860742390 /nfs/dbraw/zinc/74/23/90/860742390.db2.gz YLGSAXZOGODADR-UHFFFAOYSA-N 0 0 400.179 4.266 20 5 HIBDRN Cc1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cnn1-c1ccccc1 ZINC000435367952 860766098 /nfs/dbraw/zinc/76/60/98/860766098.db2.gz CFBSMQCLXSVIJE-UHFFFAOYSA-N 0 0 408.461 4.288 20 5 HIBDRN Cc1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000435369561 860767379 /nfs/dbraw/zinc/76/73/79/860767379.db2.gz MBSHBHUFKQWFHR-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1nc[nH]n1 ZINC000467763749 881581162 /nfs/dbraw/zinc/58/11/62/881581162.db2.gz VUEIYWLZQCOJQG-SNVBAGLBSA-N 0 0 403.851 4.009 20 5 HIBDRN CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C1CC1 ZINC000435476797 860813086 /nfs/dbraw/zinc/81/30/86/860813086.db2.gz JJTHRWKODQPVCR-UHFFFAOYSA-N 0 0 405.501 4.147 20 5 HIBDRN CCC[C@H](C)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435490342 860819687 /nfs/dbraw/zinc/81/96/87/860819687.db2.gz OGZKPZPYTMHKKS-LBPRGKRZSA-N 0 0 407.517 4.393 20 5 HIBDRN COc1cccc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)c1[N+](=O)[O-] ZINC000435544604 860858458 /nfs/dbraw/zinc/85/84/58/860858458.db2.gz FQGZEMDCAHREHB-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN Cc1c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccccc1 ZINC000435543775 860858700 /nfs/dbraw/zinc/85/87/00/860858700.db2.gz XRRBDNPZSJBETM-UHFFFAOYSA-N 0 0 421.457 4.164 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c1[N+](=O)[O-] ZINC000435556434 860875708 /nfs/dbraw/zinc/87/57/08/860875708.db2.gz CVTDHYKTXSDSJU-UHFFFAOYSA-N 0 0 419.437 4.061 20 5 HIBDRN O=c1c(Cl)c(N[C@H]2C[C@H](c3ccccc3F)C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000435601940 860905747 /nfs/dbraw/zinc/90/57/47/860905747.db2.gz RPRXYRQKUYOPAP-JOCQHMNTSA-N 0 0 414.824 4.291 20 5 HIBDRN COc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000435664439 860943641 /nfs/dbraw/zinc/94/36/41/860943641.db2.gz SWSSICFMOWTWRQ-ZDUSSCGKSA-N 0 0 413.455 4.039 20 5 HIBDRN CCOc1ccc(CN(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000435821119 861085034 /nfs/dbraw/zinc/08/50/34/861085034.db2.gz AGPIQBQCMNTRRZ-UHFFFAOYSA-N 0 0 404.441 4.491 20 5 HIBDRN CN(C)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1Cl ZINC000435825462 861089724 /nfs/dbraw/zinc/08/97/24/861089724.db2.gz IBUDWHYOVVBDNY-JOCHJYFZSA-N 0 0 419.912 4.367 20 5 HIBDRN C[C@@H]1C[C@H](C)CN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435832782 861094558 /nfs/dbraw/zinc/09/45/58/861094558.db2.gz CSHWUKFOESOSRX-NWDGAFQWSA-N 0 0 405.501 4.003 20 5 HIBDRN COc1cccc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000435832277 861094745 /nfs/dbraw/zinc/09/47/45/861094745.db2.gz AHFYEAZVEAGJDG-UHFFFAOYSA-N 0 0 408.404 4.240 20 5 HIBDRN C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc2c(c1)OCCO2 ZINC000435834849 861096816 /nfs/dbraw/zinc/09/68/16/861096816.db2.gz KITBFEIRQRJPIR-CYBMUJFWSA-N 0 0 418.424 4.083 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000435842512 861102397 /nfs/dbraw/zinc/10/23/97/861102397.db2.gz CRQRERIITZRDRG-CHWSQXEVSA-N 0 0 417.512 4.005 20 5 HIBDRN O=C(NCCCOc1ccccc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435872044 861131995 /nfs/dbraw/zinc/13/19/95/861131995.db2.gz MMQPMCNVAQTOAT-UHFFFAOYSA-N 0 0 408.404 4.158 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)cc1[N+](=O)[O-] ZINC000437772114 863090416 /nfs/dbraw/zinc/09/04/16/863090416.db2.gz JJNYUMCQXAZYEA-UHFFFAOYSA-N 0 0 409.446 4.036 20 5 HIBDRN O=C(Nc1cccc(CN2CCCCC2=O)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437777424 863095502 /nfs/dbraw/zinc/09/55/02/863095502.db2.gz RBUWALXEWRUPJE-UHFFFAOYSA-N 0 0 422.485 4.304 20 5 HIBDRN Cc1c(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cccc1C(=O)N1CCCC1 ZINC000437786661 863103792 /nfs/dbraw/zinc/10/37/92/863103792.db2.gz OFZMIGRZVHCRIX-UHFFFAOYSA-N 0 0 422.485 4.336 20 5 HIBDRN C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437830070 863181399 /nfs/dbraw/zinc/18/13/99/863181399.db2.gz SVXAQQUVWFXYJY-JLTOFOAXSA-N 0 0 418.877 4.303 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(CCc1ccccc1)[C@H]1CCOC1 ZINC000437929159 863305586 /nfs/dbraw/zinc/30/55/86/863305586.db2.gz ICCUWFBUBQRLMZ-INIZCTEOSA-N 0 0 408.376 4.087 20 5 HIBDRN C[C@H](Sc1ccccc1)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000437935831 863310020 /nfs/dbraw/zinc/31/00/20/863310020.db2.gz BJXDTZOGIGCLFE-HNNXBMFYSA-N 0 0 409.467 4.249 20 5 HIBDRN Cc1nn(CCC(=O)NC(c2cccc(C)c2)c2cccc(C)c2)c(C)c1[N+](=O)[O-] ZINC000437941200 863317373 /nfs/dbraw/zinc/31/73/73/863317373.db2.gz LOEGLILGPRQASV-UHFFFAOYSA-N 0 0 406.486 4.321 20 5 HIBDRN O=C(NCc1ccc(Br)c(F)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437971289 863341020 /nfs/dbraw/zinc/34/10/20/863341020.db2.gz UMRVWEYAWFADSL-UHFFFAOYSA-N 0 0 422.254 4.371 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000437978140 863344872 /nfs/dbraw/zinc/34/48/72/863344872.db2.gz LZSBULADDCJBGQ-ZDUSSCGKSA-N 0 0 412.311 4.056 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438009121 863369017 /nfs/dbraw/zinc/36/90/17/863369017.db2.gz IGUPNVVSHYEUSB-PGRDOPGGSA-N 0 0 409.486 4.437 20 5 HIBDRN O=C(NCCc1coc(-c2ccc(F)cc2)n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438010498 863369961 /nfs/dbraw/zinc/36/99/61/863369961.db2.gz IXPWSPPLOWOKDV-UHFFFAOYSA-N 0 0 424.432 4.306 20 5 HIBDRN C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000438146940 863568603 /nfs/dbraw/zinc/56/86/03/863568603.db2.gz GKEZETXGEKTZSQ-SOZUMNATSA-N 0 0 424.375 4.219 20 5 HIBDRN CN(C)C(=O)c1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1F ZINC000438452585 863877525 /nfs/dbraw/zinc/87/75/25/863877525.db2.gz DWGFLBDUONDAQZ-UHFFFAOYSA-N 0 0 422.416 4.432 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000438462097 863883941 /nfs/dbraw/zinc/88/39/41/863883941.db2.gz RSWNIHGMTAOXKC-NWDGAFQWSA-N 0 0 404.385 4.101 20 5 HIBDRN CCOc1cc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000438471244 863890527 /nfs/dbraw/zinc/89/05/27/863890527.db2.gz KXSQKEZKXMRVLR-RYUDHWBXSA-N 0 0 404.385 4.101 20 5 HIBDRN C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000467859800 881709907 /nfs/dbraw/zinc/70/99/07/881709907.db2.gz WOFNGDOQHQFHLA-NVXWUHKLSA-N 0 0 400.500 4.088 20 5 HIBDRN C[C@@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000467858653 881710111 /nfs/dbraw/zinc/71/01/11/881710111.db2.gz KYROJFSWFBEGOW-ZHRRBRCNSA-N 0 0 410.495 4.439 20 5 HIBDRN C[C@@H](N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000467858652 881710691 /nfs/dbraw/zinc/71/06/91/881710691.db2.gz KYROJFSWFBEGOW-OPAMFIHVSA-N 0 0 410.495 4.439 20 5 HIBDRN C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000467859799 881711116 /nfs/dbraw/zinc/71/11/16/881711116.db2.gz WOFNGDOQHQFHLA-DOTOQJQBSA-N 0 0 400.500 4.088 20 5 HIBDRN Cc1ccccc1NC(=O)Cc1nc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC000438518415 863944813 /nfs/dbraw/zinc/94/48/13/863944813.db2.gz SOCGPDFRTJLEBV-UHFFFAOYSA-N 0 0 422.510 4.099 20 5 HIBDRN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438618540 864043942 /nfs/dbraw/zinc/04/39/42/864043942.db2.gz AORGNEGLGUTBOM-HNNXBMFYSA-N 0 0 409.211 4.092 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000438625310 864053217 /nfs/dbraw/zinc/05/32/17/864053217.db2.gz MCBZAFBLWXYQEW-INIZCTEOSA-N 0 0 421.400 4.062 20 5 HIBDRN CC[C@H](C)Oc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000438652352 864094577 /nfs/dbraw/zinc/09/45/77/864094577.db2.gz CHSDATIBONCOMU-INIZCTEOSA-N 0 0 413.474 4.148 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438692637 864161569 /nfs/dbraw/zinc/16/15/69/864161569.db2.gz QHQBUGFUQOGILE-ROUUACIJSA-N 0 0 405.454 4.049 20 5 HIBDRN Cc1c(Cl)cc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000467878741 881739986 /nfs/dbraw/zinc/73/99/86/881739986.db2.gz YEBWYPPPQRONSM-UHFFFAOYSA-N 0 0 416.648 4.118 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1c(F)cc(F)cc1F ZINC000438758841 864252646 /nfs/dbraw/zinc/25/26/46/864252646.db2.gz WOQBYLYSSAZRQN-UHFFFAOYSA-N 0 0 401.149 4.120 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000438900424 864381553 /nfs/dbraw/zinc/38/15/53/864381553.db2.gz GFCFVLXGUWAYTH-UHFFFAOYSA-N 0 0 421.428 4.405 20 5 HIBDRN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000438915852 864394997 /nfs/dbraw/zinc/39/49/97/864394997.db2.gz ABCRGIKSMKWUCV-FCEWJHQRSA-N 0 0 402.834 4.338 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1[N+](=O)[O-] ZINC000438919334 864398240 /nfs/dbraw/zinc/39/82/40/864398240.db2.gz LOZQFNPLPMAXJX-OAHLLOKOSA-N 0 0 423.391 4.426 20 5 HIBDRN Cc1ccc(Br)cc1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000438927855 864406715 /nfs/dbraw/zinc/40/67/15/864406715.db2.gz HCUFDFHTMCZEMK-UHFFFAOYSA-N 0 0 400.232 4.144 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1Cl ZINC000438933921 864411105 /nfs/dbraw/zinc/41/11/05/864411105.db2.gz GSIGLIDONLMRLN-UHFFFAOYSA-N 0 0 406.822 4.176 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000438941176 864416608 /nfs/dbraw/zinc/41/66/08/864416608.db2.gz ZIWFXKUASGGLJN-UHFFFAOYSA-N 0 0 414.845 4.257 20 5 HIBDRN COC(=O)CCSc1cccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000438951818 864423806 /nfs/dbraw/zinc/42/38/06/864423806.db2.gz UXUUDSCYPFFDTJ-UHFFFAOYSA-N 0 0 408.863 4.464 20 5 HIBDRN C[C@H]1C[C@@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CO1 ZINC000438969407 864435663 /nfs/dbraw/zinc/43/56/63/864435663.db2.gz RVPRACIIYFHDBN-WCQYABFASA-N 0 0 408.813 4.221 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(c2ccccc2Br)CC1 ZINC000439019475 864472053 /nfs/dbraw/zinc/47/20/53/864472053.db2.gz KSALRKRXPKLTQD-UHFFFAOYSA-N 0 0 419.275 4.142 20 5 HIBDRN COc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c(OCc2ccccc2)c1 ZINC000439024043 864479478 /nfs/dbraw/zinc/47/94/78/864479478.db2.gz XEOMVIYJEQKCMF-UHFFFAOYSA-N 0 0 408.410 4.200 20 5 HIBDRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000439045794 864498617 /nfs/dbraw/zinc/49/86/17/864498617.db2.gz UPULXNSNSGYKEW-UHFFFAOYSA-N 0 0 412.364 4.128 20 5 HIBDRN Cc1c(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000439081464 864530861 /nfs/dbraw/zinc/53/08/61/864530861.db2.gz YQQQVBMIHHCIDH-LJQANCHMSA-N 0 0 406.442 4.250 20 5 HIBDRN Cc1c(CC(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cccc1[N+](=O)[O-] ZINC000439088134 864534795 /nfs/dbraw/zinc/53/47/95/864534795.db2.gz UJXVCPSWZIGWJB-UHFFFAOYSA-N 0 0 423.448 4.208 20 5 HIBDRN COC(=O)CCCOc1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000439104115 864541862 /nfs/dbraw/zinc/54/18/62/864541862.db2.gz ZARSQHSGCNVBHC-UHFFFAOYSA-N 0 0 406.822 4.141 20 5 HIBDRN CCOc1cc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])ccc1OC(F)F ZINC000439120615 864557251 /nfs/dbraw/zinc/55/72/51/864557251.db2.gz VLNOIHZHLHXZCK-UHFFFAOYSA-N 0 0 414.792 4.487 20 5 HIBDRN Cc1c(CC(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000439130586 864563899 /nfs/dbraw/zinc/56/38/99/864563899.db2.gz TYKXWLVAMMJHQL-QHCPKHFHSA-N 0 0 414.465 4.238 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cccc(C(=O)NC4CC4)c3)n2)cc1[N+](=O)[O-] ZINC000439147529 864579041 /nfs/dbraw/zinc/57/90/41/864579041.db2.gz SKYGWWDFQGFPEF-UHFFFAOYSA-N 0 0 422.466 4.171 20 5 HIBDRN CC(=O)Nc1cccnc1NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000467914057 881780885 /nfs/dbraw/zinc/78/08/85/881780885.db2.gz MMKXDZMOCBDBDV-UHFFFAOYSA-N 0 0 402.476 4.339 20 5 HIBDRN COc1ccc(OC(F)F)c(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000439154807 864586276 /nfs/dbraw/zinc/58/62/76/864586276.db2.gz NQEKODJZPLEVOH-UHFFFAOYSA-N 0 0 400.765 4.097 20 5 HIBDRN Cc1ccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000439160325 864590587 /nfs/dbraw/zinc/59/05/87/864590587.db2.gz LGZJPJQHPLQVKX-QGZVFWFLSA-N 0 0 418.877 4.353 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC000439165186 864595389 /nfs/dbraw/zinc/59/53/89/864595389.db2.gz 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CNC(=O)c1cccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 ZINC000440725929 865876795 /nfs/dbraw/zinc/87/67/95/865876795.db2.gz NHIMRZXJRWSMAE-UHFFFAOYSA-N 0 0 421.478 4.036 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000440747824 865886751 /nfs/dbraw/zinc/88/67/51/865886751.db2.gz BGZHWCDMURDNCZ-UHFFFAOYSA-N 0 0 417.155 4.403 20 5 HIBDRN O=C(NC[C@@H]1Cc2ccccc2O1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440751151 865889134 /nfs/dbraw/zinc/88/91/34/865889134.db2.gz WATLUAHMTKXKQU-INIZCTEOSA-N 0 0 406.463 4.480 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000468105746 881918038 /nfs/dbraw/zinc/91/80/38/881918038.db2.gz DROXUZMSUYUGIA-UHFFFAOYSA-N 0 0 400.454 4.169 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N(Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000440849752 865956655 /nfs/dbraw/zinc/95/66/55/865956655.db2.gz YCLVZZRCIHZTQM-UHFFFAOYSA-N 0 0 404.422 4.410 20 5 HIBDRN CC(=O)N(c1nc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)cs1)c1ccc(C)c(C)c1 ZINC000468108912 881924526 /nfs/dbraw/zinc/92/45/26/881924526.db2.gz IDVYWYZVXJTIFK-UHFFFAOYSA-N 0 0 411.487 4.475 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000440895182 865989823 /nfs/dbraw/zinc/98/98/23/865989823.db2.gz QPOIHQJUQJFPOF-ZAHGZRRWSA-N 0 0 417.469 4.274 20 5 HIBDRN O=C(Nc1ccc(COC2CCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000440960970 866049384 /nfs/dbraw/zinc/04/93/84/866049384.db2.gz AQJTZKVPOFYXKF-UHFFFAOYSA-N 0 0 417.849 4.285 20 5 HIBDRN CC1(C)CCc2ccccc2[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000440986741 866066714 /nfs/dbraw/zinc/06/67/14/866066714.db2.gz GMLIPYQQMBCGSR-LJQANCHMSA-N 0 0 411.506 4.242 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2cccc(CSC(C)C)c2C)cc1[N+](=O)[O-] ZINC000441017260 866085162 /nfs/dbraw/zinc/08/51/62/866085162.db2.gz XJUOPIJSXZUFMV-UHFFFAOYSA-N 0 0 401.488 4.430 20 5 HIBDRN CCOC(=O)CC[C@H](C)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441082395 866175512 /nfs/dbraw/zinc/17/55/12/866175512.db2.gz ZSYLZTKRHZEVMF-AWEZNQCLSA-N 0 0 402.472 4.208 20 5 HIBDRN CCOC(=O)CC[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441082396 866175996 /nfs/dbraw/zinc/17/59/96/866175996.db2.gz ZSYLZTKRHZEVMF-CQSZACIVSA-N 0 0 402.472 4.208 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccncc1OCC(F)F ZINC000441147263 866239112 /nfs/dbraw/zinc/23/91/12/866239112.db2.gz PMLKTTZSVMSMAJ-UHFFFAOYSA-N 0 0 411.430 4.066 20 5 HIBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000441239368 866314178 /nfs/dbraw/zinc/31/41/78/866314178.db2.gz OGDRKJPXFBFSLG-CYBMUJFWSA-N 0 0 408.285 4.421 20 5 HIBDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441268347 866341630 /nfs/dbraw/zinc/34/16/30/866341630.db2.gz KTGPLRZOWCJGPW-AWEZNQCLSA-N 0 0 403.429 4.057 20 5 HIBDRN COc1c(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cccc1C(N)=O ZINC000441285286 866359668 /nfs/dbraw/zinc/35/96/68/866359668.db2.gz XPPJRHOMZFQLPA-UHFFFAOYSA-N 0 0 423.450 4.106 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000441414957 866490234 /nfs/dbraw/zinc/49/02/34/866490234.db2.gz VCBHTEXUCNQNJW-KBPBESRZSA-N 0 0 403.866 4.146 20 5 HIBDRN CCCN(C(=O)CSCC(=O)Nc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441437075 866513919 /nfs/dbraw/zinc/51/39/19/866513919.db2.gz GLIJNQAGSNACPB-UHFFFAOYSA-N 0 0 401.488 4.018 20 5 HIBDRN CCCN(C(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441450409 866527478 /nfs/dbraw/zinc/52/74/78/866527478.db2.gz REWASTHIRQIRTQ-HDICACEKSA-N 0 0 411.502 4.261 20 5 HIBDRN CCCN(C(=O)c1cn(-c2cccc(Cl)c2F)nn1)c1cccc([N+](=O)[O-])c1 ZINC000441455174 866529260 /nfs/dbraw/zinc/52/92/60/866529260.db2.gz GBWIPJFGVWUSEJ-UHFFFAOYSA-N 0 0 403.801 4.025 20 5 HIBDRN CCCN(C(=O)c1cc(Br)c2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000441453909 866529350 /nfs/dbraw/zinc/52/93/50/866529350.db2.gz SIZOEPFDCSGAAF-UHFFFAOYSA-N 0 0 421.247 4.185 20 5 HIBDRN CO[C@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000441460799 866536615 /nfs/dbraw/zinc/53/66/15/866536615.db2.gz VDVTYIKKAZOPKE-OCCSQVGLSA-N 0 0 407.517 4.150 20 5 HIBDRN CCCN(C(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441469394 866546380 /nfs/dbraw/zinc/54/63/80/866546380.db2.gz VNFSUDUTGWSZSB-INIZCTEOSA-N 0 0 415.515 4.407 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)c1 ZINC000441481006 866560224 /nfs/dbraw/zinc/56/02/24/866560224.db2.gz LZBIGLFVEMPGCH-LJQANCHMSA-N 0 0 410.499 4.301 20 5 HIBDRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)c1 ZINC000441495501 866577507 /nfs/dbraw/zinc/57/75/07/866577507.db2.gz XLNCXQXYBDFXMS-LJQANCHMSA-N 0 0 404.426 4.326 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cnn(CCC(C)C)c2C)cc1[N+](=O)[O-] ZINC000441572643 866655749 /nfs/dbraw/zinc/65/57/49/866655749.db2.gz OYPUMVYZRYLIMA-UHFFFAOYSA-N 0 0 406.508 4.026 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000468152019 882013092 /nfs/dbraw/zinc/01/30/92/882013092.db2.gz AOGQQNWSERBEQA-UHFFFAOYSA-N 0 0 419.275 4.179 20 5 HIBDRN CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000441688319 866806314 /nfs/dbraw/zinc/80/63/14/866806314.db2.gz LZSQFWIIVSUKJC-UHFFFAOYSA-N 0 0 421.906 4.346 20 5 HIBDRN O=C(NCc1cccc(COCC(F)(F)F)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000441744492 866831619 /nfs/dbraw/zinc/83/16/19/866831619.db2.gz XTDVCMLAKLEWQR-UHFFFAOYSA-N 0 0 423.391 4.178 20 5 HIBDRN COCc1nc(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(-c2ccccc2)s1 ZINC000441793540 866862639 /nfs/dbraw/zinc/86/26/39/866862639.db2.gz VRDJRFVVCFBUIX-UHFFFAOYSA-N 0 0 416.434 4.326 20 5 HIBDRN Cc1nccn1C[C@H](C)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441829807 866889009 /nfs/dbraw/zinc/88/90/09/866889009.db2.gz YQGZKLGNPQVFKD-OAHLLOKOSA-N 0 0 410.499 4.317 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)cc1[N+](=O)[O-] ZINC000441836883 866895326 /nfs/dbraw/zinc/89/53/26/866895326.db2.gz ZSXJOILSYBDGEO-MRXNPFEDSA-N 0 0 410.474 4.168 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000441848342 866907769 /nfs/dbraw/zinc/90/77/69/866907769.db2.gz UYATWJRHUSHYKJ-INIZCTEOSA-N 0 0 424.501 4.476 20 5 HIBDRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000468161124 882029654 /nfs/dbraw/zinc/02/96/54/882029654.db2.gz UNCSCJJBLFFKJG-UHFFFAOYSA-N 0 0 419.275 4.179 20 5 HIBDRN O=[N+]([O-])c1cnc(NCc2cccc(COCC(F)(F)F)c2)c(Br)c1 ZINC000441928417 866992898 /nfs/dbraw/zinc/99/28/98/866992898.db2.gz YTEKTPXHMKJUHT-UHFFFAOYSA-N 0 0 420.185 4.443 20 5 HIBDRN C[C@H](C1CCC1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000442068823 867099888 /nfs/dbraw/zinc/09/98/88/867099888.db2.gz FZQQVOABPMIGHR-GFCCVEGCSA-N 0 0 419.528 4.393 20 5 HIBDRN CC[C@@H](C)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000442150500 867171382 /nfs/dbraw/zinc/17/13/82/867171382.db2.gz NXZTYQWNZFFMIG-KZULUSFZSA-N 0 0 419.865 4.099 20 5 HIBDRN CC[C@@H](C)[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000442159982 867181781 /nfs/dbraw/zinc/18/17/81/867181781.db2.gz XWBZYESTMIBZFD-KZULUSFZSA-N 0 0 403.866 4.399 20 5 HIBDRN CCc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000468181986 882058298 /nfs/dbraw/zinc/05/82/98/882058298.db2.gz GBBKJTNWMWWJPD-CYBMUJFWSA-N 0 0 414.849 4.402 20 5 HIBDRN NC(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 ZINC000442288415 867308809 /nfs/dbraw/zinc/30/88/09/867308809.db2.gz XGNOYOSNHHKIBV-UHFFFAOYSA-N 0 0 408.439 4.489 20 5 HIBDRN Cc1cncc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000442617414 867561693 /nfs/dbraw/zinc/56/16/93/867561693.db2.gz IBPNSXAZZHHRGX-UHFFFAOYSA-N 0 0 415.446 4.141 20 5 HIBDRN C[S@](=O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 ZINC000442938620 867753979 /nfs/dbraw/zinc/75/39/79/867753979.db2.gz ZFYVFLFBWXFVIU-MHZLTWQESA-N 0 0 424.931 4.040 20 5 HIBDRN CC(C)c1ncc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cn1 ZINC000442961639 867765202 /nfs/dbraw/zinc/76/52/02/867765202.db2.gz BNBBONHMSNKTAE-UHFFFAOYSA-N 0 0 422.435 4.145 20 5 HIBDRN O=C(NCCc1ccc2[nH]ccc2c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000443001924 867788162 /nfs/dbraw/zinc/78/81/62/867788162.db2.gz RYEJPZLVMDVXFA-UHFFFAOYSA-N 0 0 417.415 4.413 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443180575 867863112 /nfs/dbraw/zinc/86/31/12/867863112.db2.gz KOLRCMWPTZLLJO-AWEZNQCLSA-N 0 0 402.241 4.421 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000443197011 867871048 /nfs/dbraw/zinc/87/10/48/867871048.db2.gz WLWSXTAWCLPZTQ-UHFFFAOYSA-N 0 0 408.632 4.124 20 5 HIBDRN Cc1c(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)sc2ccc(Cl)cc12 ZINC000443224392 867881788 /nfs/dbraw/zinc/88/17/88/867881788.db2.gz HXPWHSUASPGBLY-UHFFFAOYSA-N 0 0 410.904 4.391 20 5 HIBDRN COc1ccc([C@@H](NCc2cc([N+](=O)[O-])ccc2OC)c2ccccc2OC)cc1 ZINC000443464082 868053654 /nfs/dbraw/zinc/05/36/54/868053654.db2.gz KQQLBUZQMNMMGJ-HSZRJFAPSA-N 0 0 408.454 4.500 20 5 HIBDRN CS(=O)(=O)c1cccc([C@H](Nc2ncc([N+](=O)[O-])s2)c2ccc(Cl)cc2)c1 ZINC000443506793 868073941 /nfs/dbraw/zinc/07/39/41/868073941.db2.gz GREXIMYIOMIORV-MRXNPFEDSA-N 0 0 423.903 4.310 20 5 HIBDRN CCOc1cc(NC(=O)N2CC3(CCCC3)OC(C)(C)C2)c([N+](=O)[O-])cc1OCC ZINC000443554953 868107750 /nfs/dbraw/zinc/10/77/50/868107750.db2.gz ACKFGUHLRFIPFK-UHFFFAOYSA-N 0 0 421.494 4.348 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c(O)c1 ZINC000443557381 868113422 /nfs/dbraw/zinc/11/34/22/868113422.db2.gz JELCFTPLUVVPDF-UHFFFAOYSA-N 0 0 417.468 4.477 20 5 HIBDRN CC[C@]1(C)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCOC)cc2O1 ZINC000443573763 868128664 /nfs/dbraw/zinc/12/86/64/868128664.db2.gz KBQQCPOWOQPGHZ-HXUWFJFHSA-N 0 0 418.471 4.483 20 5 HIBDRN C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000443700469 868295227 /nfs/dbraw/zinc/29/52/27/868295227.db2.gz VENGEFLEMRYGHD-VIFPVBQESA-N 0 0 407.250 4.221 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1-c1ccccc1 ZINC000443731890 868311953 /nfs/dbraw/zinc/31/19/53/868311953.db2.gz KCHKGUWTHVIJSS-UHFFFAOYSA-N 0 0 423.856 4.213 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)c1 ZINC000443769896 868327761 /nfs/dbraw/zinc/32/77/61/868327761.db2.gz HQGJELQXBBRREN-OAQYLSRUSA-N 0 0 424.478 4.205 20 5 HIBDRN COCCN(C(=O)c1cc(C)cc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000443820382 868352520 /nfs/dbraw/zinc/35/25/20/868352520.db2.gz GCBNYTXOABMUMQ-UHFFFAOYSA-N 0 0 415.446 4.459 20 5 HIBDRN Cn1ccnc1[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1F ZINC000443828800 868361072 /nfs/dbraw/zinc/36/10/72/868361072.db2.gz PCAKPZURDLVKIP-MRXNPFEDSA-N 0 0 422.338 4.006 20 5 HIBDRN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc2ccc(Cl)cc2s1 ZINC000443857619 868389510 /nfs/dbraw/zinc/38/95/10/868389510.db2.gz JMPHLORRDKQQNZ-UHFFFAOYSA-N 0 0 400.847 4.476 20 5 HIBDRN CN(CC(=O)N(Cc1cccnc1)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000443857692 868390007 /nfs/dbraw/zinc/39/00/07/868390007.db2.gz PBWZJUXBMCKJEU-UHFFFAOYSA-N 0 0 410.861 4.313 20 5 HIBDRN CCOc1c(F)cccc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000443871895 868402425 /nfs/dbraw/zinc/40/24/25/868402425.db2.gz XYEXBPDGMQSNHW-UHFFFAOYSA-N 0 0 400.328 4.337 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000443870599 868402436 /nfs/dbraw/zinc/40/24/36/868402436.db2.gz ULFMCHPRSGAGRF-MRXNPFEDSA-N 0 0 408.376 4.435 20 5 HIBDRN Cc1noc(C)c1[C@@H](C)CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443888644 868426069 /nfs/dbraw/zinc/42/60/69/868426069.db2.gz LFUHVWMNKRVWHY-VIFPVBQESA-N 0 0 405.252 4.148 20 5 HIBDRN CCOC(=O)c1cc(N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)ccc1[N+](=O)[O-] ZINC000443889824 868426411 /nfs/dbraw/zinc/42/64/11/868426411.db2.gz SBTLPFVKBZPOPS-ZDUSSCGKSA-N 0 0 413.405 4.436 20 5 HIBDRN CCOc1cc(Cl)ccc1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000443891384 868427978 /nfs/dbraw/zinc/42/79/78/868427978.db2.gz GEKWJRFYYCFRLJ-UHFFFAOYSA-N 0 0 403.866 4.495 20 5 HIBDRN CCOc1cc(C(=O)N(C)[C@H](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000443949818 868485241 /nfs/dbraw/zinc/48/52/41/868485241.db2.gz TYJFGYSASNJCHL-GOSISDBHSA-N 0 0 418.465 4.481 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)cc1OC ZINC000443956067 868491167 /nfs/dbraw/zinc/49/11/67/868491167.db2.gz BYYUOMMDNLCGNQ-NSHDSACASA-N 0 0 406.822 4.083 20 5 HIBDRN Cc1ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000443971967 868502107 /nfs/dbraw/zinc/50/21/07/868502107.db2.gz LJLLKNFKBLKOQS-AWEZNQCLSA-N 0 0 402.394 4.184 20 5 HIBDRN Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000443975303 868503307 /nfs/dbraw/zinc/50/33/07/868503307.db2.gz ZNQZQRBKTPALBM-MRXNPFEDSA-N 0 0 416.421 4.059 20 5 HIBDRN Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000443994410 868516291 /nfs/dbraw/zinc/51/62/91/868516291.db2.gz SETDNHAATKOCBV-OAHLLOKOSA-N 0 0 402.394 4.016 20 5 HIBDRN CCOC(C)(C)CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000444002490 868523251 /nfs/dbraw/zinc/52/32/51/868523251.db2.gz OCPMDHVQOSKMQJ-UHFFFAOYSA-N 0 0 421.519 4.239 20 5 HIBDRN CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000444032451 868565611 /nfs/dbraw/zinc/56/56/11/868565611.db2.gz POQWXJCBSFXJEC-FQEVSTJZSA-N 0 0 411.505 4.422 20 5 HIBDRN O=C(NCCOC1CCCCCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444037639 868574079 /nfs/dbraw/zinc/57/40/79/868574079.db2.gz GOZJFAWQZYVWEC-UHFFFAOYSA-N 0 0 414.452 4.429 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000444054899 868593561 /nfs/dbraw/zinc/59/35/61/868593561.db2.gz YYQSMXPDJFYLRS-GOSISDBHSA-N 0 0 418.291 4.441 20 5 HIBDRN O=[N+]([O-])c1cnc(NCCc2nc3ccccc3n2C(F)F)c(Br)c1 ZINC000444083467 868608487 /nfs/dbraw/zinc/60/84/87/868608487.db2.gz YADQRAVKBKPDCP-UHFFFAOYSA-N 0 0 412.194 4.152 20 5 HIBDRN C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Oc1ccccc1F ZINC000444094774 868614212 /nfs/dbraw/zinc/61/42/12/868614212.db2.gz KSAPNRQVKOKZES-ZDUSSCGKSA-N 0 0 408.404 4.157 20 5 HIBDRN O=C(NCCc1cc(F)ccc1F)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444104818 868619793 /nfs/dbraw/zinc/61/97/93/868619793.db2.gz ZKBDGMFXTSDLEB-UHFFFAOYSA-N 0 0 414.358 4.210 20 5 HIBDRN CC(C)[C@@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCS1 ZINC000444114050 868625029 /nfs/dbraw/zinc/62/50/29/868625029.db2.gz IJMKONBOVHHQLY-KRWDZBQOSA-N 0 0 402.466 4.173 20 5 HIBDRN Cn1cc(Nc2cccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)c2)cn1 ZINC000444115544 868626609 /nfs/dbraw/zinc/62/66/09/868626609.db2.gz ZZDKINIDPIHJKL-UHFFFAOYSA-N 0 0 409.449 4.411 20 5 HIBDRN CN(C)c1cc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c2ccccc2n1 ZINC000444123800 868630781 /nfs/dbraw/zinc/63/07/81/868630781.db2.gz SDFCWZVWQNOAAO-UHFFFAOYSA-N 0 0 422.488 4.226 20 5 HIBDRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444176390 868650591 /nfs/dbraw/zinc/65/05/91/868650591.db2.gz PBZANELMOAMAGY-WHEQGISXSA-N 0 0 414.452 4.141 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)cc1[N+](=O)[O-] ZINC000444195990 868660560 /nfs/dbraw/zinc/66/05/60/868660560.db2.gz VOOGUDGCZHWEKY-HNNXBMFYSA-N 0 0 411.380 4.405 20 5 HIBDRN C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444223764 868674826 /nfs/dbraw/zinc/67/48/26/868674826.db2.gz IHZXVRYCODQRTK-ZDUSSCGKSA-N 0 0 420.415 4.351 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@H](c2ccsc2)O1 ZINC000444225946 868676280 /nfs/dbraw/zinc/67/62/80/868676280.db2.gz NVELGDTZVJRTGM-BFUOFWGJSA-N 0 0 422.481 4.484 20 5 HIBDRN COc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c(F)c1 ZINC000444230835 868678664 /nfs/dbraw/zinc/67/86/64/868678664.db2.gz BKOOZBMLLGNVMF-UHFFFAOYSA-N 0 0 412.367 4.037 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCS[C@H]2CCCC[C@@H]21 ZINC000444231234 868680201 /nfs/dbraw/zinc/68/02/01/868680201.db2.gz BWRIWRCSQSTTIR-OALUTQOASA-N 0 0 414.477 4.460 20 5 HIBDRN O=C(Nc1ccccc1O[C@H]1CCOC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444231170 868680370 /nfs/dbraw/zinc/68/03/70/868680370.db2.gz BPPOZHJLKSEHCO-INIZCTEOSA-N 0 0 400.434 4.101 20 5 HIBDRN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444233758 868681726 /nfs/dbraw/zinc/68/17/26/868681726.db2.gz BLALWMMRAQIZGJ-YJYMSZOUSA-N 0 0 414.452 4.021 20 5 HIBDRN CC[C@H](C)[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)OC(C)(C)C ZINC000444234747 868683194 /nfs/dbraw/zinc/68/31/94/868683194.db2.gz DMJWYMZENCEOCX-XOBRGWDASA-N 0 0 408.498 4.168 20 5 HIBDRN CCOCCC1(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCC1 ZINC000444236605 868686281 /nfs/dbraw/zinc/68/62/81/868686281.db2.gz CQWNGBGNLFQZCV-UHFFFAOYSA-N 0 0 414.452 4.286 20 5 HIBDRN O=C(N[C@@H](CCCO)c1ccccc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444247307 868695175 /nfs/dbraw/zinc/69/51/75/868695175.db2.gz QJHNORLFBHCWRD-FQEVSTJZSA-N 0 0 404.441 4.064 20 5 HIBDRN O=C(Nc1n[nH]c2c1cccc2Cl)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444249756 868697069 /nfs/dbraw/zinc/69/70/69/868697069.db2.gz JILSLXPSHLAGGG-UHFFFAOYSA-N 0 0 424.794 4.742 20 5 HIBDRN CC(C)CSCCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444250484 868698306 /nfs/dbraw/zinc/69/83/06/868698306.db2.gz XEONDNQVHXEAGZ-UHFFFAOYSA-N 0 0 404.482 4.469 20 5 HIBDRN CN(C)c1cccc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000444253267 868699774 /nfs/dbraw/zinc/69/97/74/868699774.db2.gz TUHHOTVOKUBZOA-UHFFFAOYSA-N 0 0 421.447 4.298 20 5 HIBDRN Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444252329 868699911 /nfs/dbraw/zinc/69/99/11/868699911.db2.gz ZWZIAAJANSIHHX-JTQLQIEISA-N 0 0 411.408 4.098 20 5 HIBDRN CCC1(CC)[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C[C@@H]1OC ZINC000444253340 868699921 /nfs/dbraw/zinc/69/99/21/868699921.db2.gz XWLQEBUEVVYZJN-ROUUACIJSA-N 0 0 414.452 4.283 20 5 HIBDRN Cn1cc(-c2ccccc2CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cn1 ZINC000444258456 868702221 /nfs/dbraw/zinc/70/22/21/868702221.db2.gz HQJNPRNESJMOPV-UHFFFAOYSA-N 0 0 408.461 4.012 20 5 HIBDRN 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ZINC000444307298 868737191 /nfs/dbraw/zinc/73/71/91/868737191.db2.gz YPACXUCSZVUVMM-UHFFFAOYSA-N 0 0 414.358 4.210 20 5 HIBDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000444309720 868739029 /nfs/dbraw/zinc/73/90/29/868739029.db2.gz GHNVKYXWXVRHFA-OAHLLOKOSA-N 0 0 414.461 4.285 20 5 HIBDRN COCC[C@H]1CCCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444308985 868740038 /nfs/dbraw/zinc/74/00/38/868740038.db2.gz DBGNEHCTHFBXPG-CQSZACIVSA-N 0 0 414.452 4.238 20 5 HIBDRN O=C(NCc1nc2ccccc2n1C1CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444308635 868740109 /nfs/dbraw/zinc/74/01/09/868740109.db2.gz DIOQMVWFUQJXTJ-UHFFFAOYSA-N 0 0 408.461 4.296 20 5 HIBDRN CCN1C(=O)CCc2cc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)ccc21 ZINC000444318925 868746827 /nfs/dbraw/zinc/74/68/27/868746827.db2.gz YNQWCBHKUQZXOG-UHFFFAOYSA-N 0 0 411.461 4.233 20 5 HIBDRN COc1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F ZINC000444327552 868754008 /nfs/dbraw/zinc/75/40/08/868754008.db2.gz KKHRKGVCMQKUHL-UHFFFAOYSA-N 0 0 404.341 4.492 20 5 HIBDRN C[C@@H](C1CC1)n1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cn1 ZINC000444325857 868754266 /nfs/dbraw/zinc/75/42/66/868754266.db2.gz BMWZSSXVWXFYGQ-NSHDSACASA-N 0 0 408.408 4.379 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000444331005 868756137 /nfs/dbraw/zinc/75/61/37/868756137.db2.gz ZFWGYSLUQJXHAY-UHFFFAOYSA-N 0 0 410.813 4.115 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2cccc(OCc3ccccc3OC)c2C)c1[N+](=O)[O-] ZINC000444330044 868756927 /nfs/dbraw/zinc/75/69/27/868756927.db2.gz RCFFSAOQHWXZLY-UHFFFAOYSA-N 0 0 410.430 4.029 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444330515 868757171 /nfs/dbraw/zinc/75/71/71/868757171.db2.gz XVQVZOHZCWXTMQ-AWEZNQCLSA-N 0 0 402.498 4.432 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1[N+](=O)[O-] ZINC000444337790 868765092 /nfs/dbraw/zinc/76/50/92/868765092.db2.gz DFJRRZUAPFQAHG-CYBMUJFWSA-N 0 0 416.787 4.434 20 5 HIBDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000444412935 868816771 /nfs/dbraw/zinc/81/67/71/868816771.db2.gz RXXFALDPCBUZPN-KPZWWZAWSA-N 0 0 409.269 4.433 20 5 HIBDRN Cc1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cnn1C1CCCC1 ZINC000444454183 868833929 /nfs/dbraw/zinc/83/39/29/868833929.db2.gz IBGOCWMKLRBRMV-UHFFFAOYSA-N 0 0 400.482 4.413 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000444501208 868860963 /nfs/dbraw/zinc/86/09/63/868860963.db2.gz LBIGICJAMXHHRD-QGZVFWFLSA-N 0 0 403.866 4.258 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2Cl)cc([N+](=O)[O-])c1 ZINC000444510675 868863956 /nfs/dbraw/zinc/86/39/56/868863956.db2.gz OISKQSGMDRQMSB-UHFFFAOYSA-N 0 0 406.822 4.464 20 5 HIBDRN O=C(NCc1ncn(Cc2cccc(F)c2)n1)c1cc2ccccc2c2cccnc12 ZINC000444535578 868873194 /nfs/dbraw/zinc/87/31/94/868873194.db2.gz MOZOGNMUAJUJEE-UHFFFAOYSA-N 0 0 411.440 4.097 20 5 HIBDRN O=C(NCc1cccc(CO)c1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000444542958 868875907 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ZINC000445579522 869639579 /nfs/dbraw/zinc/63/95/79/869639579.db2.gz OBLKUPCRGHLDCR-UHFFFAOYSA-N 0 0 424.280 4.050 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3C[C@H]3c3ccccc3OC(F)F)n2)c1 ZINC000445579653 869639826 /nfs/dbraw/zinc/63/98/26/869639826.db2.gz LZRJCFFCZFJGCW-GJZGRUSLSA-N 0 0 417.368 4.450 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(-c2ccc3cc[nH]c3n2)no1 ZINC000445582456 869642411 /nfs/dbraw/zinc/64/24/11/869642411.db2.gz GTANYAAOXFOLGA-UHFFFAOYSA-N 0 0 418.335 4.195 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(Cn4nc(C)cc4C)cc3)n2)c1 ZINC000445582770 869642502 /nfs/dbraw/zinc/64/25/02/869642502.db2.gz IJKQXAHLKNZHCX-UHFFFAOYSA-N 0 0 419.441 4.106 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cn(Cc4ccccc4)c4ccccc34)n2)n1C ZINC000445617304 869681398 /nfs/dbraw/zinc/68/13/98/869681398.db2.gz YJSQSAKEVIGEFR-UHFFFAOYSA-N 0 0 414.425 4.357 20 5 HIBDRN COc1ccc(SCCCC(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000445629605 869696413 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0 422.485 4.137 20 5 HIBDRN O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445703523 869767776 /nfs/dbraw/zinc/76/77/76/869767776.db2.gz ZDNBOXUDORRDKL-SJLPKXTDSA-N 0 0 405.376 4.237 20 5 HIBDRN C/C(=C/c1ccccc1Cl)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000445712522 869773565 /nfs/dbraw/zinc/77/35/65/869773565.db2.gz SQPWJOARPKNGEH-RAXLEYEMSA-N 0 0 412.833 4.051 20 5 HIBDRN CC(C)Cc1ccc(/C=C\c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000445733557 869789466 /nfs/dbraw/zinc/78/94/66/869789466.db2.gz NSUKEXCCJDVEIM-XFXZXTDPSA-N 0 0 420.469 4.206 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nnc(-c2ccccc2)s1 ZINC000445742132 869794328 /nfs/dbraw/zinc/79/43/28/869794328.db2.gz SMWAOSYLBIQZJK-UHFFFAOYSA-N 0 0 419.260 4.057 20 5 HIBDRN C[C@H](c1c(F)cccc1F)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445743063 869795484 /nfs/dbraw/zinc/79/54/84/869795484.db2.gz OTSHLQLEURIVLV-SNVBAGLBSA-N 0 0 413.218 4.398 20 5 HIBDRN Cc1ccc2oc(-c3noc(CSc4ccc(C(N)=O)cc4[N+](=O)[O-])n3)cc2c1 ZINC000445775844 869817124 /nfs/dbraw/zinc/81/71/24/869817124.db2.gz SINWCMPFINWNGX-UHFFFAOYSA-N 0 0 410.411 4.091 20 5 HIBDRN CCSc1ccc(-c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)cc1 ZINC000445775749 869817184 /nfs/dbraw/zinc/81/71/84/869817184.db2.gz RRPCZEJBZANNGB-UHFFFAOYSA-N 0 0 416.484 4.148 20 5 HIBDRN CCCN1Cc2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c2C1 ZINC000445777657 869819073 /nfs/dbraw/zinc/81/90/73/869819073.db2.gz PSOZZQHNUACXRK-UHFFFAOYSA-N 0 0 418.291 4.264 20 5 HIBDRN CC(C)(CCc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445795387 869827590 /nfs/dbraw/zinc/82/75/90/869827590.db2.gz ONYSMSUDRLWZCH-UHFFFAOYSA-N 0 0 405.292 4.427 20 5 HIBDRN COc1cc(Cc2noc([C@H]3C[C@H]3c3c(F)cccc3F)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445816102 869838035 /nfs/dbraw/zinc/83/80/35/869838035.db2.gz SIEHZYDXYQAGNY-OLZOCXBDSA-N 0 0 417.368 4.135 20 5 HIBDRN COc1cc(Cc2noc(Cc3cccc4ccccc43)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445820705 869842741 /nfs/dbraw/zinc/84/27/41/869842741.db2.gz VWAABKRGJCCGFR-UHFFFAOYSA-N 0 0 405.410 4.330 20 5 HIBDRN COc1cc(Cc2noc(/C=C\c3cn(C)c4ccccc34)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445826136 869847501 /nfs/dbraw/zinc/84/75/01/869847501.db2.gz VSSUDOIQPZNGDB-HJWRWDBZSA-N 0 0 420.425 4.248 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCc3ncsc3C2)c([N+](=O)[O-])c1 ZINC000445878779 869869766 /nfs/dbraw/zinc/86/97/66/869869766.db2.gz WCJICFWEXGFOJW-HXUWFJFHSA-N 0 0 408.483 4.098 20 5 HIBDRN O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445907649 869881041 /nfs/dbraw/zinc/88/10/41/869881041.db2.gz OTUVUUDBORAPQV-UHFFFAOYSA-N 0 0 422.416 4.189 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000445920242 869888211 /nfs/dbraw/zinc/88/82/11/869888211.db2.gz RWBNGEDQENGAMR-UHFFFAOYSA-N 0 0 402.878 4.045 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](CC(F)(F)F)C(C)C)c([N+](=O)[O-])cc1OCC ZINC000446033768 869997130 /nfs/dbraw/zinc/99/71/30/869997130.db2.gz QXPJCHBDPUBKAF-GFCCVEGCSA-N 0 0 407.389 4.491 20 5 HIBDRN COc1cccc(Oc2ncccc2CNC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000446035219 869998873 /nfs/dbraw/zinc/99/88/73/869998873.db2.gz BIXWIALODJOMBL-UHFFFAOYSA-N 0 0 407.426 4.040 20 5 HIBDRN Cc1cc(-c2ncccc2NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000446041425 870003786 /nfs/dbraw/zinc/00/37/86/870003786.db2.gz CQFFMXMAACZOJW-AWEZNQCLSA-N 0 0 424.482 4.151 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000446043801 870004866 /nfs/dbraw/zinc/00/48/66/870004866.db2.gz DUHWEGKBYRBZPX-SFHVURJKSA-N 0 0 401.894 4.341 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC000446048815 870012534 /nfs/dbraw/zinc/01/25/34/870012534.db2.gz YHBCACXFQPJGLV-UHFFFAOYSA-N 0 0 402.410 4.382 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 ZINC000446173233 870112071 /nfs/dbraw/zinc/11/20/71/870112071.db2.gz RGNYWOSUKRODNZ-UHFFFAOYSA-N 0 0 424.844 4.467 20 5 HIBDRN C[C@@]1(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CCCO1 ZINC000446175991 870114770 /nfs/dbraw/zinc/11/47/70/870114770.db2.gz ULQXGICKOOIZLM-IBGZPJMESA-N 0 0 408.813 4.365 20 5 HIBDRN Cc1cc(NC(=O)N2CCN(c3cccc4cnccc43)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000446180052 870117489 /nfs/dbraw/zinc/11/74/89/870117489.db2.gz RTVQIQRJNVTDPN-INIZCTEOSA-N 0 0 405.458 4.194 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](C1CCCC1)C(F)(F)F ZINC000446217338 870151142 /nfs/dbraw/zinc/15/11/42/870151142.db2.gz VSHVODXPEJTLRB-AWEZNQCLSA-N 0 0 409.202 4.137 20 5 HIBDRN CCOC(=O)[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 ZINC000446244061 870185312 /nfs/dbraw/zinc/18/53/12/870185312.db2.gz LYBKAOWXCSRKOS-CQSZACIVSA-N 0 0 422.359 4.311 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000446252837 870195153 /nfs/dbraw/zinc/19/51/53/870195153.db2.gz LZAQEADHPGPLFZ-YJYMSZOUSA-N 0 0 411.845 4.399 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000446291925 870221246 /nfs/dbraw/zinc/22/12/46/870221246.db2.gz CYGMIDFMPHWCLT-UHFFFAOYSA-N 0 0 423.856 4.416 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000446292349 870221461 /nfs/dbraw/zinc/22/14/61/870221461.db2.gz GZMUNRKMLCBBKC-UHFFFAOYSA-N 0 0 403.438 4.071 20 5 HIBDRN CCc1noc(CC)c1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000446295531 870222877 /nfs/dbraw/zinc/22/28/77/870222877.db2.gz NZCIJFDLYWANFL-AWEZNQCLSA-N 0 0 423.473 4.206 20 5 HIBDRN O=C(Nc1ccc(Nc2ncccn2)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000446346146 870255304 /nfs/dbraw/zinc/25/53/04/870255304.db2.gz JQDOSWDODWLKFB-UHFFFAOYSA-N 0 0 407.433 4.467 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000446378195 870287621 /nfs/dbraw/zinc/28/76/21/870287621.db2.gz FCBOGEJPVRRMBB-YMTOWFKASA-N 0 0 414.293 4.011 20 5 HIBDRN CCCOc1cc(C)ccc1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000446404564 870307064 /nfs/dbraw/zinc/30/70/64/870307064.db2.gz GDQJXPJHIRTJBN-UHFFFAOYSA-N 0 0 408.458 4.023 20 5 HIBDRN COc1cc(SC)ccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000446408521 870313514 /nfs/dbraw/zinc/31/35/14/870313514.db2.gz KXEJZFCQJHUAGY-UHFFFAOYSA-N 0 0 417.487 4.401 20 5 HIBDRN O=C(c1csc(-c2c(F)cccc2F)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446424044 870337332 /nfs/dbraw/zinc/33/73/32/870337332.db2.gz ITVQSHITPVZOHX-UHFFFAOYSA-N 0 0 401.394 4.195 20 5 HIBDRN CC(=O)NCc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000446425281 870339629 /nfs/dbraw/zinc/33/96/29/870339629.db2.gz JWKANIREKPELEU-UHFFFAOYSA-N 0 0 419.437 4.062 20 5 HIBDRN COCc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)sc2cccc(F)c21 ZINC000446426312 870341368 /nfs/dbraw/zinc/34/13/68/870341368.db2.gz YOFHLYGVSGELBU-UHFFFAOYSA-N 0 0 400.431 4.294 20 5 HIBDRN O=C(CSC[C@@H]1CCCCO1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446432422 870350973 /nfs/dbraw/zinc/35/09/73/870350973.db2.gz WEBBLQBOSGGIGJ-SFHVURJKSA-N 0 0 416.499 4.415 20 5 HIBDRN O=C(COC(c1ccccc1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446434424 870353838 /nfs/dbraw/zinc/35/38/38/870353838.db2.gz ZJNIYVNAKGEDMS-UHFFFAOYSA-N 0 0 402.450 4.286 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446436595 870356167 /nfs/dbraw/zinc/35/61/67/870356167.db2.gz UDCQXGPHSNFIIL-DLBZAZTESA-N 0 0 406.360 4.182 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000446482796 870394681 /nfs/dbraw/zinc/39/46/81/870394681.db2.gz WSKFQGYQWJKONB-MRXNPFEDSA-N 0 0 415.450 4.201 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)COc1ncccc1C(F)(F)F ZINC000446482768 870395066 /nfs/dbraw/zinc/39/50/66/870395066.db2.gz WKOPPAFWZWISTA-UHFFFAOYSA-N 0 0 412.368 4.296 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1C)O[C@H](C)C2 ZINC000446483428 870395898 /nfs/dbraw/zinc/39/58/98/870395898.db2.gz BUQYAEMHVMFHDA-ACWOFJMJSA-N 0 0 411.458 4.303 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000446485284 870397908 /nfs/dbraw/zinc/39/79/08/870397908.db2.gz OQYDARLJJQAFLT-ZDUSSCGKSA-N 0 0 418.291 4.449 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000446486143 870399228 /nfs/dbraw/zinc/39/92/28/870399228.db2.gz SMHCPFXAVFSYIV-CQSZACIVSA-N 0 0 410.352 4.002 20 5 HIBDRN C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2)c1 ZINC000446497317 870412881 /nfs/dbraw/zinc/41/28/81/870412881.db2.gz XQGHGUSZWBIPAH-INIZCTEOSA-N 0 0 419.485 4.087 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000446516693 870434917 /nfs/dbraw/zinc/43/49/17/870434917.db2.gz YIDQKKSKWKWLAM-UHFFFAOYSA-N 0 0 413.449 4.342 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000446559765 870472177 /nfs/dbraw/zinc/47/21/77/870472177.db2.gz WZHAEMKEWFWYST-UHFFFAOYSA-N 0 0 415.496 4.194 20 5 HIBDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000446603329 870509228 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409.467 4.063 20 5 HIBDRN O=C(Nc1cccc(COCc2ccco2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446820243 870734714 /nfs/dbraw/zinc/73/47/14/870734714.db2.gz AHBXDLJTTQCEAY-UHFFFAOYSA-N 0 0 407.426 4.495 20 5 HIBDRN CCCOc1ccc(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1Cl ZINC000446830065 870746291 /nfs/dbraw/zinc/74/62/91/870746291.db2.gz OEXDAAWSJWICHQ-UHFFFAOYSA-N 0 0 405.838 4.231 20 5 HIBDRN O=[N+]([O-])c1cc(CNCc2ccc(Cl)cc2I)cs1 ZINC000446836596 870754901 /nfs/dbraw/zinc/75/49/01/870754901.db2.gz VQLHGHAPMSRBDS-UHFFFAOYSA-N 0 0 408.648 4.204 20 5 HIBDRN CC[C@@H](c1nnc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)s1)c1ccccc1 ZINC000446846043 870765686 /nfs/dbraw/zinc/76/56/86/870765686.db2.gz UTDHSCICMBTKOV-GOSISDBHSA-N 0 0 423.498 4.578 20 5 HIBDRN Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446894936 870814496 /nfs/dbraw/zinc/81/44/96/870814496.db2.gz TUAKIDGHIQLFNX-QVKFZJNVSA-N 0 0 407.474 4.462 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC=C(c2ccccc2Cl)CC1 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O=C(c1ccc(N2CCCC2)c(F)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460354967 872979229 /nfs/dbraw/zinc/97/92/29/872979229.db2.gz VMHMYLVAQVFCNQ-FQEVSTJZSA-N 0 0 401.463 4.222 20 5 HIBDRN COc1ccc(Br)cc1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000460368727 873003607 /nfs/dbraw/zinc/00/36/07/873003607.db2.gz ZJEICFOSRYZRJO-UHFFFAOYSA-N 0 0 421.291 4.048 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000460401796 873051949 /nfs/dbraw/zinc/05/19/49/873051949.db2.gz NNSGBBNCQQBOGU-SXGZJXTBSA-N 0 0 418.877 4.313 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1SC ZINC000460408580 873060652 /nfs/dbraw/zinc/06/06/52/873060652.db2.gz BHCZYNLJJHIITN-KUHUBIRLSA-N 0 0 416.499 4.236 20 5 HIBDRN CO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)[C@H](C)C1 ZINC000460412435 873065817 /nfs/dbraw/zinc/06/58/17/873065817.db2.gz ORACAUAXBZLKJE-DYESRHJHSA-N 0 0 421.501 4.100 20 5 HIBDRN C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Oc1cccc(Cl)c1 ZINC000460433084 873097120 /nfs/dbraw/zinc/09/71/20/873097120.db2.gz YLAQLJXAGIJDNX-INIZCTEOSA-N 0 0 420.896 4.392 20 5 HIBDRN Cc1ccccc1O[C@@H](C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000460449436 873121018 /nfs/dbraw/zinc/12/10/18/873121018.db2.gz PNJKLJZHUQWUFN-SFHVURJKSA-N 0 0 400.478 4.047 20 5 HIBDRN COC(=O)c1ccccc1N(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CCC1 ZINC000460452541 873129126 /nfs/dbraw/zinc/12/91/26/873129126.db2.gz SUAXYVFLDAAGJK-UHFFFAOYSA-N 0 0 409.442 4.155 20 5 HIBDRN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccc1)[C@@H]1CCSC1 ZINC000460460489 873140802 /nfs/dbraw/zinc/14/08/02/873140802.db2.gz QKAGQSHGEOTQEM-LJQANCHMSA-N 0 0 409.515 4.038 20 5 HIBDRN COc1cccc(F)c1[C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000460470713 873156051 /nfs/dbraw/zinc/15/60/51/873156051.db2.gz JOQPYDSYZBUTOG-JTQLQIEISA-N 0 0 416.327 4.175 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000460477312 873163517 /nfs/dbraw/zinc/16/35/17/873163517.db2.gz RPSAJHXXSDNDRH-UHFFFAOYSA-N 0 0 402.756 4.428 20 5 HIBDRN Cc1cccc(O[C@H](C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000460566272 873297233 /nfs/dbraw/zinc/29/72/33/873297233.db2.gz RGCDNPXAIJICMF-CYBMUJFWSA-N 0 0 412.364 4.042 20 5 HIBDRN CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000460574284 873309848 /nfs/dbraw/zinc/30/98/48/873309848.db2.gz MIGYESFXALDHTI-XUJQIHCRSA-N 0 0 401.507 4.369 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@H](C)CO2)c1 ZINC000460580241 873314931 /nfs/dbraw/zinc/31/49/31/873314931.db2.gz FQPBMLNDTZDJCX-VGOFRKELSA-N 0 0 407.470 4.155 20 5 HIBDRN CC[C@H]1CN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000460614463 873357566 /nfs/dbraw/zinc/35/75/66/873357566.db2.gz MNGWBEISXBUIHO-NSHDSACASA-N 0 0 408.357 4.023 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000460701251 873475043 /nfs/dbraw/zinc/47/50/43/873475043.db2.gz LRJSEEHRUQJTHJ-DBVUQKKJSA-N 0 0 413.522 4.295 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000460701254 873475583 /nfs/dbraw/zinc/47/55/83/873475583.db2.gz LRJSEEHRUQJTHJ-VDGAXYAQSA-N 0 0 413.522 4.295 20 5 HIBDRN CCC1(CC)CN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CCS1 ZINC000468617088 882731597 /nfs/dbraw/zinc/73/15/97/882731597.db2.gz DODHCOJRGIWMBE-UHFFFAOYSA-N 0 0 416.547 4.204 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000460778879 873631710 /nfs/dbraw/zinc/63/17/10/873631710.db2.gz NMXMJFSEZMPOKP-FFZOFVMBSA-N 0 0 413.522 4.295 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000460783937 873640644 /nfs/dbraw/zinc/64/06/44/873640644.db2.gz ZLSZDTNZBDANJC-UHFFFAOYSA-N 0 0 416.787 4.123 20 5 HIBDRN CC(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460923690 873827978 /nfs/dbraw/zinc/82/79/78/873827978.db2.gz OUMWGEQEEDXFFF-UHFFFAOYSA-N 0 0 409.465 4.135 20 5 HIBDRN Cc1ccc(-c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2C[C@@H]2CCCO2)o1 ZINC000460938638 873839342 /nfs/dbraw/zinc/83/93/42/873839342.db2.gz WBPCRGWGHUSZSY-SFHVURJKSA-N 0 0 423.473 4.103 20 5 HIBDRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]1)CCO2 ZINC000461009393 873882734 /nfs/dbraw/zinc/88/27/34/873882734.db2.gz VITPTNTXQPDRLR-FQEVSTJZSA-N 0 0 407.426 4.098 20 5 HIBDRN Cc1c(CSC(C)C)cccc1NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000461015467 873885547 /nfs/dbraw/zinc/88/55/47/873885547.db2.gz UTCWOJBKBLMDKN-HNNXBMFYSA-N 0 0 415.515 4.302 20 5 HIBDRN C[C@@H]1CC[C@H](C)N(C(=O)c2cc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc([N+](=O)[O-])c2)C1 ZINC000461017668 873887040 /nfs/dbraw/zinc/88/70/40/873887040.db2.gz FASXYVCKERYEOL-NCOADZHNSA-N 0 0 401.507 4.116 20 5 HIBDRN CO[C@H](C)CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1)C(C)C ZINC000461018533 873887934 /nfs/dbraw/zinc/88/79/34/873887934.db2.gz XAJSHNBKNOSFMH-OAHLLOKOSA-N 0 0 415.519 4.213 20 5 HIBDRN C[C@H]1CCCCCN1C(=O)c1cc(C(=O)N2CCCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000461020737 873888557 /nfs/dbraw/zinc/88/85/57/873888557.db2.gz CTPXEXYOWFQNFB-IRXDYDNUSA-N 0 0 401.507 4.404 20 5 HIBDRN C[C@H]1c2ccccc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000461074851 873970969 /nfs/dbraw/zinc/97/09/69/873970969.db2.gz MHXGUYXYKZURJI-JXFKEZNVSA-N 0 0 419.485 4.156 20 5 HIBDRN Cc1ccccc1-c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@H]1CCCO1 ZINC000461120075 874046063 /nfs/dbraw/zinc/04/60/63/874046063.db2.gz BXLXCKVFYOXFQI-LJQANCHMSA-N 0 0 421.501 4.020 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H]3C3CCCC3)n2C[C@H]2CCCO2)c1 ZINC000461145341 874089043 /nfs/dbraw/zinc/08/90/43/874089043.db2.gz FXASRUIZBXKBFY-WOJBJXKFSA-N 0 0 411.506 4.191 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)[C@H]2CCCC[C@H]12 ZINC000461151232 874099988 /nfs/dbraw/zinc/09/99/88/874099988.db2.gz KGOOEGJGBSNGNJ-NMLACTOBSA-N 0 0 411.506 4.047 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC3(CCC3(F)F)C2)cc1 ZINC000461270627 874280088 /nfs/dbraw/zinc/28/00/88/874280088.db2.gz QGQARIOJPCVKQA-UHFFFAOYSA-N 0 0 404.369 4.267 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CC3(CCC3(F)F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000461271830 874282326 /nfs/dbraw/zinc/28/23/26/874282326.db2.gz WAZNSFCDTYKYCW-CYBMUJFWSA-N 0 0 402.401 4.034 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CC4(CCC4(F)F)C3)cc2[N+](=O)[O-])n1 ZINC000461285936 874291400 /nfs/dbraw/zinc/29/14/00/874291400.db2.gz BYVMRXZJWSQRGZ-UHFFFAOYSA-N 0 0 411.455 4.382 20 5 HIBDRN CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2n1C ZINC000461287629 874293329 /nfs/dbraw/zinc/29/33/29/874293329.db2.gz ICLXBMWYYQHBGS-UHFFFAOYSA-N 0 0 415.453 4.370 20 5 HIBDRN CO[C@H]1CCOc2c(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cccc21 ZINC000468688619 882813065 /nfs/dbraw/zinc/81/30/65/882813065.db2.gz GTZYMLIRQUSWPH-KRWDZBQOSA-N 0 0 411.439 4.441 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000461306271 874313251 /nfs/dbraw/zinc/31/32/51/874313251.db2.gz ZYRMFLRVNCOBED-YJYMSZOUSA-N 0 0 400.406 4.134 20 5 HIBDRN CCN(Cc1ccccc1C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461360138 874363253 /nfs/dbraw/zinc/36/32/53/874363253.db2.gz CWIGVOFCNZJKJH-SFHVURJKSA-N 0 0 421.501 4.225 20 5 HIBDRN O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461390824 874397463 /nfs/dbraw/zinc/39/74/63/874397463.db2.gz XFMLHIUVHWIATM-UHFFFAOYSA-N 0 0 417.393 4.031 20 5 HIBDRN O=C(c1csc(-c2c(F)cccc2F)n1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461397583 874409019 /nfs/dbraw/zinc/40/90/19/874409019.db2.gz BJPNUKKDRQQFRJ-UHFFFAOYSA-N 0 0 417.393 4.031 20 5 HIBDRN CC(C)(C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1cccc(Br)c1 ZINC000461401872 874411899 /nfs/dbraw/zinc/41/18/99/874411899.db2.gz ALSJKLMNGVRVNN-UHFFFAOYSA-N 0 0 419.275 4.056 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461408598 874423584 /nfs/dbraw/zinc/42/35/84/874423584.db2.gz AIZPLZMZBYWXNI-CVEARBPZSA-N 0 0 407.253 4.426 20 5 HIBDRN O=C([C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461410674 874424786 /nfs/dbraw/zinc/42/47/86/874424786.db2.gz IZLHMMVPTNZTSR-IRXDYDNUSA-N 0 0 407.253 4.426 20 5 HIBDRN COc1ccc2cc([C@H](C)C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)ccc2c1 ZINC000461410017 874426204 /nfs/dbraw/zinc/42/62/04/874426204.db2.gz XGGMVLRLSKUZHH-HNNXBMFYSA-N 0 0 406.438 4.281 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461410675 874426274 /nfs/dbraw/zinc/42/62/74/874426274.db2.gz IZLHMMVPTNZTSR-SJORKVTESA-N 0 0 407.253 4.426 20 5 HIBDRN COc1cc(C(=O)N2CCC(C(C)C)CC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000461417767 874439457 /nfs/dbraw/zinc/43/94/57/874439457.db2.gz IGKADUMZXIHNRN-UHFFFAOYSA-N 0 0 419.503 4.147 20 5 HIBDRN O=C(N1CCOc2ccc([N+](=O)[O-])cc2C1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000461422634 874451048 /nfs/dbraw/zinc/45/10/48/874451048.db2.gz SMDVDXRGQDZGOE-UHFFFAOYSA-N 0 0 424.350 4.206 20 5 HIBDRN Nc1c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cccc1[N+](=O)[O-] ZINC000468735707 882834788 /nfs/dbraw/zinc/83/47/88/882834788.db2.gz TYQVXFHGOGYOAJ-UHFFFAOYSA-N 0 0 406.370 4.154 20 5 HIBDRN CC(C)[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c2ccccc21 ZINC000468735540 882835091 /nfs/dbraw/zinc/83/50/91/882835091.db2.gz DFBDSXWOALIAIA-IEBWSBKVSA-N 0 0 400.500 4.294 20 5 HIBDRN CCOc1ccc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cc1[N+](=O)[O-] ZINC000461481152 874540908 /nfs/dbraw/zinc/54/09/08/874540908.db2.gz PTHZANISBYBWJE-UHFFFAOYSA-N 0 0 411.483 4.398 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N(Cc3ccccc3)C3CC3)n2C[C@H]2CCOC2)cc1 ZINC000461513042 874591456 /nfs/dbraw/zinc/59/14/56/874591456.db2.gz IPTHKZHYJMVTTL-GOSISDBHSA-N 0 0 419.485 4.059 20 5 HIBDRN C[C@@H](Sc1nc2ccccc2c2nc3ccccc3n21)c1nc(-c2nc[nH]n2)no1 ZINC000461515569 874594342 /nfs/dbraw/zinc/59/43/42/874594342.db2.gz BNEZEPMMFJVPQH-LLVKDONJSA-N 0 0 414.454 4.057 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3c3ccccc3)n2C[C@@H]2CCOC2)c1 ZINC000461525921 874611002 /nfs/dbraw/zinc/61/10/02/874611002.db2.gz REPCLEJKMAZHKH-UWJYYQICSA-N 0 0 419.485 4.231 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCOC2)C2CC2)cc1 ZINC000461566418 874664183 /nfs/dbraw/zinc/66/41/83/874664183.db2.gz LDLSAPBOYISDHK-SFHVURJKSA-N 0 0 419.485 4.059 20 5 HIBDRN Cc1ccc([C@H](C)N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)cc1 ZINC000461571763 874672081 /nfs/dbraw/zinc/67/20/81/874672081.db2.gz FNDOBSZRNZACNN-ZWKOTPCHSA-N 0 0 421.501 4.396 20 5 HIBDRN CC(C)CC[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 ZINC000461574721 874677940 /nfs/dbraw/zinc/67/79/40/874677940.db2.gz ZVEZLCVBGSMQKL-IEBWSBKVSA-N 0 0 413.522 4.295 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000461596246 874719926 /nfs/dbraw/zinc/71/99/26/874719926.db2.gz CFQJJHXXHBMQRK-SFHVURJKSA-N 0 0 421.501 4.467 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCCO1 ZINC000461659960 874813348 /nfs/dbraw/zinc/81/33/48/874813348.db2.gz MBENSJPHROUVHW-LJQANCHMSA-N 0 0 424.505 4.166 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCc4ccccc43)n2C[C@H]2CCCCO2)cc1 ZINC000461675872 874826088 /nfs/dbraw/zinc/82/60/88/874826088.db2.gz ZNGFGOXCFCOALB-LJQANCHMSA-N 0 0 405.458 4.117 20 5 HIBDRN CC(C)C[C@H]1CCCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 ZINC000461693934 874844044 /nfs/dbraw/zinc/84/40/44/874844044.db2.gz HHHDDNRYILXDRA-FXAWDEMLSA-N 0 0 413.522 4.295 20 5 HIBDRN COc1ccc(C(=O)CCCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000461713267 874862369 /nfs/dbraw/zinc/86/23/69/874862369.db2.gz CTUCXGJUQAKWLN-OAQYLSRUSA-N 0 0 414.483 4.231 20 5 HIBDRN COC[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccc(Cl)c1 ZINC000461717155 874866523 /nfs/dbraw/zinc/86/65/23/874866523.db2.gz HWOKMRAPQWYRSK-IBGZPJMESA-N 0 0 403.866 4.310 20 5 HIBDRN Cc1ccc(CCN(Cc2ccco2)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000461741964 874886211 /nfs/dbraw/zinc/88/62/11/874886211.db2.gz UJYCWFVXVGHSJJ-UHFFFAOYSA-N 0 0 404.426 4.258 20 5 HIBDRN Cc1cc(N2CCC(NC(=O)c3ccsc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461768851 874899239 /nfs/dbraw/zinc/89/92/39/874899239.db2.gz QMJMPCZESCWDAM-UHFFFAOYSA-N 0 0 413.421 4.382 20 5 HIBDRN CCOC(=O)c1ccnc(N[C@H](C)c2ccc(OCC3CC3)c(F)c2)c1[N+](=O)[O-] ZINC000468824926 882878078 /nfs/dbraw/zinc/87/80/78/882878078.db2.gz FMVQDLBBJBFANY-GFCCVEGCSA-N 0 0 403.410 4.268 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C2CCC2)n1C[C@H]1CCCCO1 ZINC000461827916 874956365 /nfs/dbraw/zinc/95/63/65/874956365.db2.gz IDHBULLYERFWCB-HXUWFJFHSA-N 0 0 413.522 4.438 20 5 HIBDRN COc1cc(C(=O)N(CCc2ccc(C)cc2)Cc2ccco2)cc([N+](=O)[O-])c1OC ZINC000461913341 875055149 /nfs/dbraw/zinc/05/51/49/875055149.db2.gz HMHNFWIQIVVUJG-UHFFFAOYSA-N 0 0 424.453 4.399 20 5 HIBDRN Cc1cc(N2CCN([C@H](C)c3nccs3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461944445 875076478 /nfs/dbraw/zinc/07/64/78/875076478.db2.gz VJVKZKRDXUKADR-GFCCVEGCSA-N 0 0 400.426 4.262 20 5 HIBDRN Cc1cc(Sc2nnc(-c3ccccn3)n2Cc2ccco2)c(F)cc1[N+](=O)[O-] ZINC000461965249 875090808 /nfs/dbraw/zinc/09/08/08/875090808.db2.gz MUJDJRKQQFYIBG-UHFFFAOYSA-N 0 0 411.418 4.488 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1OCCCO ZINC000461995435 875115737 /nfs/dbraw/zinc/11/57/37/875115737.db2.gz QJTPLISHAULFMZ-LLVKDONJSA-N 0 0 413.243 4.431 20 5 HIBDRN CN([C@H]1CCc2ccccc2C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462137238 875236794 /nfs/dbraw/zinc/23/67/94/875236794.db2.gz ICAKHJFEHULLTQ-AWEZNQCLSA-N 0 0 415.298 4.080 20 5 HIBDRN Cc1ccc([C@H](NCc2cccc([N+](=O)[O-])c2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000462164407 875260088 /nfs/dbraw/zinc/26/00/88/875260088.db2.gz MPTLIXQNRHWMPA-QHCPKHFHSA-N 0 0 424.522 4.494 20 5 HIBDRN CC(C)OC(=O)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000462175045 875272925 /nfs/dbraw/zinc/27/29/25/875272925.db2.gz JGOAVLBGQHMSKR-UHFFFAOYSA-N 0 0 402.472 4.208 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H]3CCO[C@@H](C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000462174734 875273114 /nfs/dbraw/zinc/27/31/14/875273114.db2.gz IHIBEGQQVJNUEF-GOEBONIOSA-N 0 0 419.528 4.198 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000462180582 875281577 /nfs/dbraw/zinc/28/15/77/875281577.db2.gz VCTSZIULLXQXOB-UHFFFAOYSA-N 0 0 422.441 4.458 20 5 HIBDRN Cc1ccnc(Oc2cc(NCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)ccc2C)c1 ZINC000462189666 875293183 /nfs/dbraw/zinc/29/31/83/875293183.db2.gz PWBMZHMNLGXXLJ-UHFFFAOYSA-N 0 0 418.453 4.400 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000462190538 875296946 /nfs/dbraw/zinc/29/69/46/875296946.db2.gz QNHNLBLHOZMXNL-VFNWGFHPSA-N 0 0 412.442 4.083 20 5 HIBDRN O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000462358500 875473608 /nfs/dbraw/zinc/47/36/08/875473608.db2.gz PUPYKCWKQRMHCF-GFCCVEGCSA-N 0 0 411.355 4.009 20 5 HIBDRN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)ccc1OC(C)C ZINC000462361292 875475038 /nfs/dbraw/zinc/47/50/38/875475038.db2.gz SBGUBULPHPTYTH-UHFFFAOYSA-N 0 0 401.444 4.039 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1I ZINC000462389850 875500807 /nfs/dbraw/zinc/50/08/07/875500807.db2.gz ORARHJALIJJMRY-ZDUSSCGKSA-N 0 0 424.238 4.407 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1OC(F)F ZINC000462390848 875500815 /nfs/dbraw/zinc/50/08/15/875500815.db2.gz ZBBLXTQRGSLZDC-GFCCVEGCSA-N 0 0 422.306 4.067 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](O)COc2cccc(C(F)(F)F)c2)cc1OC(F)F ZINC000462390849 875501049 /nfs/dbraw/zinc/50/10/49/875501049.db2.gz ZBBLXTQRGSLZDC-LBPRGKRZSA-N 0 0 422.306 4.067 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000462406143 875513190 /nfs/dbraw/zinc/51/31/90/875513190.db2.gz AXBCNIJIQWVPEP-GOSISDBHSA-N 0 0 409.486 4.428 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCc2cc(F)c(F)cc21 ZINC000462430787 875537001 /nfs/dbraw/zinc/53/70/01/875537001.db2.gz VLLKGCFTTCQDOQ-UHFFFAOYSA-N 0 0 423.224 4.321 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000462432429 875538749 /nfs/dbraw/zinc/53/87/49/875538749.db2.gz ZXZZVNVZVNDBPJ-MRXNPFEDSA-N 0 0 418.877 4.295 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000462436912 875543263 /nfs/dbraw/zinc/54/32/63/875543263.db2.gz NAASUYYTXVFCCW-NVXWUHKLSA-N 0 0 400.475 4.448 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000462440644 875546641 /nfs/dbraw/zinc/54/66/41/875546641.db2.gz SRCNHEBYOFVMSA-WBVHZDCISA-N 0 0 409.486 4.389 20 5 HIBDRN COc1cc(C(=O)NCCc2ccc(Cl)c(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000462472558 875578793 /nfs/dbraw/zinc/57/87/93/875578793.db2.gz GFWBWTNAQOSCGR-UHFFFAOYSA-N 0 0 414.792 4.139 20 5 HIBDRN Cn1cc(-c2ccccc2CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cn1 ZINC000462482040 875590350 /nfs/dbraw/zinc/59/03/50/875590350.db2.gz CVXGHZJFONFUEX-UHFFFAOYSA-N 0 0 415.453 4.581 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CS(=O)(=O)C(C)C)cc1 ZINC000462489014 875597367 /nfs/dbraw/zinc/59/73/67/875597367.db2.gz NBSKYFHMLVSYOK-GOSISDBHSA-N 0 0 418.515 4.125 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C ZINC000462492717 875604123 /nfs/dbraw/zinc/60/41/23/875604123.db2.gz WRWIUDSKXRWODD-GOSISDBHSA-N 0 0 409.486 4.347 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 ZINC000462493457 875607089 /nfs/dbraw/zinc/60/70/89/875607089.db2.gz ZOZLTHMWPPMGIH-SFHVURJKSA-N 0 0 410.449 4.113 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1nc2ccccc2n1C ZINC000462495765 875607864 /nfs/dbraw/zinc/60/78/64/875607864.db2.gz QMTZVRXGOAEIDX-UTKZUKDTSA-N 0 0 406.486 4.414 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 ZINC000462495273 875608018 /nfs/dbraw/zinc/60/80/18/875608018.db2.gz KKEFATMMJVZAJB-PKOBYXMFSA-N 0 0 411.502 4.195 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C ZINC000462503089 875617608 /nfs/dbraw/zinc/61/76/08/875617608.db2.gz IVQBUQLMYHBTBW-SFHVURJKSA-N 0 0 411.502 4.496 20 5 HIBDRN COc1ccc(S(=O)(=O)N([C@H](C)c2ccccc2Cl)C2CC2)cc1[N+](=O)[O-] ZINC000462529606 875649723 /nfs/dbraw/zinc/64/97/23/875649723.db2.gz HWPCBFRPTCCTJB-GFCCVEGCSA-N 0 0 410.879 4.171 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CSc3ccccc3)C2)c(Cl)c1 ZINC000462583896 875701994 /nfs/dbraw/zinc/70/19/94/875701994.db2.gz IDNSMYXMUDDVHC-CYBMUJFWSA-N 0 0 412.920 4.051 20 5 HIBDRN COc1cc(C)c(Br)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000462583558 875702005 /nfs/dbraw/zinc/70/20/05/875702005.db2.gz GIKDTZNLGIIHEQ-UHFFFAOYSA-N 0 0 411.277 4.405 20 5 HIBDRN Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462587704 875704879 /nfs/dbraw/zinc/70/48/79/875704879.db2.gz CZRIQOKYWLZJPQ-UHFFFAOYSA-N 0 0 413.437 4.189 20 5 HIBDRN Cc1ccc(-c2cnc(CCC(=O)Nc3cc(C)nc4ccc([N+](=O)[O-])cc43)o2)cc1 ZINC000462594548 875711785 /nfs/dbraw/zinc/71/17/85/875711785.db2.gz RRJBVKPQEQDKST-UHFFFAOYSA-N 0 0 416.437 4.408 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000462619914 875731235 /nfs/dbraw/zinc/73/12/35/875731235.db2.gz ONVJHWOCLDLDBF-GFCCVEGCSA-N 0 0 401.410 4.297 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000462619035 875731406 /nfs/dbraw/zinc/73/14/06/875731406.db2.gz OMRYZWBNGVACNB-DOTOQJQBSA-N 0 0 424.423 4.243 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1-n1nc(C)cc1C ZINC000462623608 875737015 /nfs/dbraw/zinc/73/70/15/875737015.db2.gz SUKFMYFHUAVFQL-LJQANCHMSA-N 0 0 406.486 4.282 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nccn1Cc1ccccc1 ZINC000462628856 875739968 /nfs/dbraw/zinc/73/99/68/875739968.db2.gz SMGRXLOKXPVQTO-HXUWFJFHSA-N 0 0 406.486 4.067 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000462643924 875753992 /nfs/dbraw/zinc/75/39/92/875753992.db2.gz WMOJGBRJRINIPP-JTHBVZDNSA-N 0 0 410.514 4.414 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)NCCOc1ccc(F)cc1 ZINC000462689660 875781404 /nfs/dbraw/zinc/78/14/04/875781404.db2.gz FBMROAHKLGIBIA-UHFFFAOYSA-N 0 0 416.430 4.036 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H](C)CO2)c1 ZINC000462696352 875786400 /nfs/dbraw/zinc/78/64/00/875786400.db2.gz FXTIAJZDKWCLBJ-RDTXWAMCSA-N 0 0 424.906 4.016 20 5 HIBDRN CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000462720149 875799152 /nfs/dbraw/zinc/79/91/52/875799152.db2.gz IUHNPCFLGALCMH-LLVKDONJSA-N 0 0 417.270 4.268 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2cn(C)nc2C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000462734371 875807596 /nfs/dbraw/zinc/80/75/96/875807596.db2.gz NKILZGWFYVBZJY-ZDUSSCGKSA-N 0 0 406.446 4.026 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000462742492 875812720 /nfs/dbraw/zinc/81/27/20/875812720.db2.gz FIACYGJJORMUCZ-HXUWFJFHSA-N 0 0 413.493 4.037 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000462755167 875819440 /nfs/dbraw/zinc/81/94/40/875819440.db2.gz KZBOXEKJCYWCCK-HXUWFJFHSA-N 0 0 410.518 4.255 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000462754655 875819622 /nfs/dbraw/zinc/81/96/22/875819622.db2.gz JBZUPHMSVXGMKH-HXUWFJFHSA-N 0 0 410.518 4.111 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000468912269 882971438 /nfs/dbraw/zinc/97/14/38/882971438.db2.gz IGEKRNSIUOCHIT-CHWSQXEVSA-N 0 0 407.854 4.101 20 5 HIBDRN CC(=O)c1ccc(NCCOc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 ZINC000462880670 875909227 /nfs/dbraw/zinc/90/92/27/875909227.db2.gz DMYXRBHSIXGTKH-UHFFFAOYSA-N 0 0 403.744 4.356 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)[C@H]1Nc2ccccc2C(=O)N1Cc1cccnc1 ZINC000468915968 882976024 /nfs/dbraw/zinc/97/60/24/882976024.db2.gz KOVSQARYGVOACV-FPIZWNAKSA-N 0 0 400.438 4.487 20 5 HIBDRN C[C@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000462904410 875929888 /nfs/dbraw/zinc/92/98/88/875929888.db2.gz UOPTYNSZHMVMRT-QFBILLFUSA-N 0 0 404.470 4.189 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462919340 875947722 /nfs/dbraw/zinc/94/77/22/875947722.db2.gz OSXOYIKQCGWORV-APWZRJJASA-N 0 0 409.467 4.368 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000462920632 875949272 /nfs/dbraw/zinc/94/92/72/875949272.db2.gz UZUKZQKQBSYFCM-NVXWUHKLSA-N 0 0 405.248 4.007 20 5 HIBDRN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000462944835 875966679 /nfs/dbraw/zinc/96/66/79/875966679.db2.gz QDBNKJAKJAPULW-OAHLLOKOSA-N 0 0 424.888 4.076 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CC[C@@H](n2cccn2)C1 ZINC000462973239 875985257 /nfs/dbraw/zinc/98/52/57/875985257.db2.gz AGGXSGVWSHHDJX-QGZVFWFLSA-N 0 0 400.504 4.161 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000462972817 875985683 /nfs/dbraw/zinc/98/56/83/875985683.db2.gz YJACBFBEUYATEL-JOCHJYFZSA-N 0 0 414.527 4.119 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)Nc1cccc(Cl)c1C ZINC000462993907 876008727 /nfs/dbraw/zinc/00/87/27/876008727.db2.gz IFEJQAUUHPJLRF-MRXNPFEDSA-N 0 0 417.893 4.270 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000468928471 882990568 /nfs/dbraw/zinc/99/05/68/882990568.db2.gz JUJUFMASVOLHQZ-TZMCWYRMSA-N 0 0 421.881 4.409 20 5 HIBDRN O=C(NC1CC1)c1ccc(N[C@H]2COc3c2ccc(Cl)c3Cl)c([N+](=O)[O-])c1 ZINC000463070994 876101818 /nfs/dbraw/zinc/10/18/18/876101818.db2.gz JEQZITKROITYCX-AWEZNQCLSA-N 0 0 408.241 4.339 20 5 HIBDRN CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000463098409 876133258 /nfs/dbraw/zinc/13/32/58/876133258.db2.gz ZKILVZLYEPZZTG-UHFFFAOYSA-N 0 0 423.391 4.277 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncc(-c2ccc(C)cc2C)s1 ZINC000468939969 883004115 /nfs/dbraw/zinc/00/41/15/883004115.db2.gz NIRCJVKXIXMIKZ-UHFFFAOYSA-N 0 0 419.484 4.145 20 5 HIBDRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000463131522 876178964 /nfs/dbraw/zinc/17/89/64/876178964.db2.gz OQPHZIPDOJQIJU-UHFFFAOYSA-N 0 0 423.816 4.418 20 5 HIBDRN O=C(NCc1ccc(F)cc1Br)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463136610 876185009 /nfs/dbraw/zinc/18/50/09/876185009.db2.gz FWWYXEHUINJWIT-UHFFFAOYSA-N 0 0 421.144 4.445 20 5 HIBDRN CN(CC(=O)Nc1ccccc1COCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000463137025 876186726 /nfs/dbraw/zinc/18/67/26/876186726.db2.gz IKBTYUSYXBTCFP-UHFFFAOYSA-N 0 0 405.454 4.387 20 5 HIBDRN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463138253 876188449 /nfs/dbraw/zinc/18/84/49/876188449.db2.gz CEYVFLQOIBQCPX-GFCCVEGCSA-N 0 0 411.355 4.009 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C/C=C\c2ccccc2)CC1 ZINC000463221348 876280057 /nfs/dbraw/zinc/28/00/57/876280057.db2.gz 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C[C@@H](CC(F)(F)F)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000463745774 876868992 /nfs/dbraw/zinc/86/89/92/876868992.db2.gz LXQPDAUIVNDTLH-NSHDSACASA-N 0 0 403.382 4.148 20 5 HIBDRN CCOc1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c([N+](=O)[O-])cc1OC ZINC000463902696 877025723 /nfs/dbraw/zinc/02/57/23/877025723.db2.gz YHXKIBFCPXDJLS-UHFFFAOYSA-N 0 0 417.849 4.109 20 5 HIBDRN Cc1c(NC(=O)N2CC(c3ccccc3F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000463932387 877052335 /nfs/dbraw/zinc/05/23/35/877052335.db2.gz SORXATIULFJGMX-UHFFFAOYSA-N 0 0 408.227 4.436 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000463952451 877074311 /nfs/dbraw/zinc/07/43/11/877074311.db2.gz SYTLTSTXXWRWQN-LLVKDONJSA-N 0 0 413.400 4.470 20 5 HIBDRN Cc1ccc(C(=O)NC2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)s1 ZINC000463953821 877074791 /nfs/dbraw/zinc/07/47/91/877074791.db2.gz XDBBDIJYSDXSSC-UHFFFAOYSA-N 0 0 416.503 4.008 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000463953493 877075338 /nfs/dbraw/zinc/07/53/38/877075338.db2.gz VREQZPUYPOZNFZ-AWEZNQCLSA-N 0 0 420.416 4.213 20 5 HIBDRN CCN(CC)C(=O)CCC1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000463954785 877077167 /nfs/dbraw/zinc/07/71/67/877077167.db2.gz ZQZNNZBNBKNLMX-UHFFFAOYSA-N 0 0 404.511 4.104 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000463956206 877078027 /nfs/dbraw/zinc/07/80/27/877078027.db2.gz XXJOIAVBHGRWKY-UHFFFAOYSA-N 0 0 422.445 4.068 20 5 HIBDRN Cc1cc(C(F)(F)F)nn1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000463957217 877079830 /nfs/dbraw/zinc/07/98/30/877079830.db2.gz BOLDHAIVLKSVCZ-UHFFFAOYSA-N 0 0 418.375 4.352 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(OC[C@H]2CCOC2)c1 ZINC000463957463 877080638 /nfs/dbraw/zinc/08/06/38/877080638.db2.gz DNLYMGSFPSFUJB-KRWDZBQOSA-N 0 0 413.474 4.257 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cs1 ZINC000463972964 877099126 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877775216 /nfs/dbraw/zinc/77/52/16/877775216.db2.gz XLWIUFAKTOFVTD-UHFFFAOYSA-N 0 0 409.627 4.068 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC000464581029 877804621 /nfs/dbraw/zinc/80/46/21/877804621.db2.gz MBOQERHHLQDDOX-VIFPVBQESA-N 0 0 421.276 4.353 20 5 HIBDRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000464589132 877813639 /nfs/dbraw/zinc/81/36/39/877813639.db2.gz XJDBFCYCGSPPBO-JOCHJYFZSA-N 0 0 410.514 4.431 20 5 HIBDRN Cc1cc(C2CC2)nc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000464592172 877818257 /nfs/dbraw/zinc/81/82/57/877818257.db2.gz KELRFSOWMPKXPD-ZIAGYGMSSA-N 0 0 409.490 4.305 20 5 HIBDRN Cc1cc(C2CC2)nc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000464598442 877825607 /nfs/dbraw/zinc/82/56/07/877825607.db2.gz LVMSKUYKGFPGSE-UHFFFAOYSA-N 0 0 409.368 4.030 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464628337 877846244 /nfs/dbraw/zinc/84/62/44/877846244.db2.gz ISZBCJJUJSXNES-SFHVURJKSA-N 0 0 424.497 4.483 20 5 HIBDRN C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000464629895 877847666 /nfs/dbraw/zinc/84/76/66/877847666.db2.gz QWGZUHDANBZRMI-QRKUABHPSA-N 0 0 410.470 4.485 20 5 HIBDRN CC(C)(C)c1ccc(OCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464633686 877851238 /nfs/dbraw/zinc/85/12/38/877851238.db2.gz BGBIBGMMWBSNIF-UHFFFAOYSA-N 0 0 412.486 4.341 20 5 HIBDRN C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464633800 877851523 /nfs/dbraw/zinc/85/15/23/877851523.db2.gz BVCLXFZNLHRUQW-INIZCTEOSA-N 0 0 400.450 4.373 20 5 HIBDRN CC(C)COc1ccc(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464636137 877853904 /nfs/dbraw/zinc/85/39/04/877853904.db2.gz GPSXOKUNEPTIDT-UHFFFAOYSA-N 0 0 412.486 4.242 20 5 HIBDRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464639862 877858354 /nfs/dbraw/zinc/85/83/54/877858354.db2.gz WIVXDUUAUCYXEG-DQLDELGASA-N 0 0 404.507 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CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2nc(C)c(C)s2)CC1 ZINC000503664794 912770781 /nfs/dbraw/zinc/77/07/81/912770781.db2.gz CEBOOUNXTLBXBY-UHFFFAOYSA-N 0 0 420.560 4.133 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1ncon1 ZINC000469810975 883985704 /nfs/dbraw/zinc/98/57/04/883985704.db2.gz OHKFWEPIONCVFI-LJQANCHMSA-N 0 0 421.457 4.347 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000469842087 884025043 /nfs/dbraw/zinc/02/50/43/884025043.db2.gz MSTIPIJYICIMNU-UHFFFAOYSA-N 0 0 413.783 4.432 20 5 HIBDRN CO[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000469876405 884066440 /nfs/dbraw/zinc/06/64/40/884066440.db2.gz UKQALVMXSKBBML-JLTOFOAXSA-N 0 0 417.893 4.357 20 5 HIBDRN CO[C@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000469876407 884067351 /nfs/dbraw/zinc/06/73/51/884067351.db2.gz UKQALVMXSKBBML-VLIAUNLRSA-N 0 0 417.893 4.357 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ncccc3Cl)CC2)cc1SC ZINC000469944299 884141128 /nfs/dbraw/zinc/14/11/28/884141128.db2.gz PMKGYRMZHFAIKJ-UHFFFAOYSA-N 0 0 421.906 4.394 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(c2ncccc2Cl)CC1 ZINC000469964271 884172690 /nfs/dbraw/zinc/17/26/90/884172690.db2.gz FITZXQAMEIVISW-UHFFFAOYSA-N 0 0 411.792 4.264 20 5 HIBDRN COc1cc(CN2CC[C@@H](C(F)(F)F)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000469998380 884214735 /nfs/dbraw/zinc/21/47/35/884214735.db2.gz DPCAUEKWUXFISC-CQSZACIVSA-N 0 0 412.355 4.410 20 5 HIBDRN C[C@@H](CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Cc1cccc(F)c1 ZINC000470003034 884219697 /nfs/dbraw/zinc/21/96/97/884219697.db2.gz NQYBLJKWEIHKPB-MRXNPFEDSA-N 0 0 400.450 4.373 20 5 HIBDRN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(OC(F)(F)F)c1 ZINC000470006227 884221947 /nfs/dbraw/zinc/22/19/47/884221947.db2.gz NZONPXZINIWHIV-UHFFFAOYSA-N 0 0 408.336 4.175 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc([N+](=O)[O-])c1 ZINC000470020036 884237441 /nfs/dbraw/zinc/23/74/41/884237441.db2.gz WSKZXDVPSUEVRC-HNNXBMFYSA-N 0 0 419.437 4.325 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2ccncc2)cc1 ZINC000470021158 884238925 /nfs/dbraw/zinc/23/89/25/884238925.db2.gz RECSRLLFKAKJLL-INIZCTEOSA-N 0 0 413.437 4.334 20 5 HIBDRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000470055762 884303876 /nfs/dbraw/zinc/30/38/76/884303876.db2.gz KFAUNSHXPJCGEN-GFCCVEGCSA-N 0 0 409.202 4.089 20 5 HIBDRN COCCN(Cc1ccc(C)o1)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000470092003 884348760 /nfs/dbraw/zinc/34/87/60/884348760.db2.gz DFYZPGYXVBCQMM-INIZCTEOSA-N 0 0 415.490 4.021 20 5 HIBDRN CN(Cc1cc(F)cc(F)c1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000470098920 884356833 /nfs/dbraw/zinc/35/68/33/884356833.db2.gz WURHIVXTPIQREQ-UHFFFAOYSA-N 0 0 404.291 4.086 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCc2cc(Br)cc(F)c2C1 ZINC000470130353 884394297 /nfs/dbraw/zinc/39/42/97/884394297.db2.gz BVRCZBXUBXNTKN-UHFFFAOYSA-N 0 0 412.190 4.226 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000470135237 884398830 /nfs/dbraw/zinc/39/88/30/884398830.db2.gz WDCMUKLDWDMNKB-HOTGVXAUSA-N 0 0 413.327 4.093 20 5 HIBDRN O=C(NCc1csc(CCc2ccccc2)n1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470135847 884399628 /nfs/dbraw/zinc/39/96/28/884399628.db2.gz ZURVTHSTXPPBAA-UHFFFAOYSA-N 0 0 400.435 4.297 20 5 HIBDRN Cc1coc(-c2ccc(C)c(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)c2)n1 ZINC000470141903 884408758 /nfs/dbraw/zinc/40/87/58/884408758.db2.gz DHRPUCNJRFTNPK-UHFFFAOYSA-N 0 0 418.413 4.008 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000470144475 884410559 /nfs/dbraw/zinc/41/05/59/884410559.db2.gz VTRYXNBCJCSMJU-ZIAGYGMSSA-N 0 0 414.849 4.079 20 5 HIBDRN CCOc1cc(NC(=O)N2CCc3cc(F)cc(C)c3C2)c([N+](=O)[O-])cc1OCC ZINC000503778818 912822479 /nfs/dbraw/zinc/82/24/79/912822479.db2.gz KKIGOCRMRUDMCL-UHFFFAOYSA-N 0 0 417.437 4.430 20 5 HIBDRN Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cnn1C1CCCC1 ZINC000470165893 884441481 /nfs/dbraw/zinc/44/14/81/884441481.db2.gz BURXCNJGNWIGJQ-UHFFFAOYSA-N 0 0 407.268 4.159 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CC(=O)Nc1ccccc1Br ZINC000470170655 884449715 /nfs/dbraw/zinc/44/97/15/884449715.db2.gz YNUALNVRBDZUBP-UVTDQMKNSA-N 0 0 418.291 4.331 20 5 HIBDRN C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000470171728 884452710 /nfs/dbraw/zinc/45/27/10/884452710.db2.gz NUIIGLVNJCPJHU-HNAYVOBHSA-N 0 0 403.504 4.151 20 5 HIBDRN C[C@@H](Cc1ccccc1Br)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000470174936 884457313 /nfs/dbraw/zinc/45/73/13/884457313.db2.gz OELBLXMMLNABFO-ZDUSSCGKSA-N 0 0 406.280 4.130 20 5 HIBDRN Cc1ccccc1-c1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n(C)n1 ZINC000470208961 884527607 /nfs/dbraw/zinc/52/76/07/884527607.db2.gz VYDFBGXSABPJHD-ZDUSSCGKSA-N 0 0 414.849 4.363 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000470274653 884633380 /nfs/dbraw/zinc/63/33/80/884633380.db2.gz LDSLLNXTVXPQCS-UGKGYDQZSA-N 0 0 409.486 4.154 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCO[C@@]3(CCOC3)C2)cc1 ZINC000470336925 884721753 /nfs/dbraw/zinc/72/17/53/884721753.db2.gz WFWQRAYTXGUODL-FQEVSTJZSA-N 0 0 404.850 4.032 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000470375336 884773360 /nfs/dbraw/zinc/77/33/60/884773360.db2.gz TZIYLWYOKVTKMQ-GFCCVEGCSA-N 0 0 410.879 4.393 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000470376166 884773648 /nfs/dbraw/zinc/77/36/48/884773648.db2.gz WIOPIUJPTANPGM-LLVKDONJSA-N 0 0 403.822 4.396 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000470376649 884774871 /nfs/dbraw/zinc/77/48/71/884774871.db2.gz VAAVGQJDXMUFTL-CYBMUJFWSA-N 0 0 407.854 4.103 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(C)C)c3ccccc32)cc1OC ZINC000470389082 884792640 /nfs/dbraw/zinc/79/26/40/884792640.db2.gz STMYANJRZUUZHS-KRWDZBQOSA-N 0 0 414.458 4.029 20 5 HIBDRN CC(C)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000470393939 884800135 /nfs/dbraw/zinc/80/01/35/884800135.db2.gz OIQRQTMVRNUBOA-WBVHZDCISA-N 0 0 413.499 4.047 20 5 HIBDRN C[C@@H](C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470403612 884809313 /nfs/dbraw/zinc/80/93/13/884809313.db2.gz KLYCRDRAQWFCDB-GFCCVEGCSA-N 0 0 401.825 4.488 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(-n2cc(Cl)cn2)n1 ZINC000470406318 884810396 /nfs/dbraw/zinc/81/03/96/884810396.db2.gz BREAMTOXVKKJBJ-UHFFFAOYSA-N 0 0 414.853 4.076 20 5 HIBDRN CSc1cccc([C@H](NCc2c([N+](=O)[O-])ncn2C)c2ccc(F)c(F)c2)c1 ZINC000470563395 884980154 /nfs/dbraw/zinc/98/01/54/884980154.db2.gz MFRHBIKKCXZTLM-SFHVURJKSA-N 0 0 404.442 4.208 20 5 HIBDRN COc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc([N+](=O)[O-])c1C ZINC000470621715 885046801 /nfs/dbraw/zinc/04/68/01/885046801.db2.gz DKURBXYSABYLTJ-UHFFFAOYSA-N 0 0 422.825 4.475 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000470666800 885094499 /nfs/dbraw/zinc/09/44/99/885094499.db2.gz HNLPOAJSMJCGDK-OAHLLOKOSA-N 0 0 421.544 4.446 20 5 HIBDRN CC(C)(C(=O)N1CCC[C@H](OCc2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000470677412 885108772 /nfs/dbraw/zinc/10/87/72/885108772.db2.gz IYTBJIMMBHWSPU-IBGZPJMESA-N 0 0 400.450 4.219 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000470677833 885109054 /nfs/dbraw/zinc/10/90/54/885109054.db2.gz HLHUJZTXBXQSNK-CRAIPNDOSA-N 0 0 412.490 4.098 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)cc1 ZINC000470686946 885119567 /nfs/dbraw/zinc/11/95/67/885119567.db2.gz ZBWQSSJEFOOBNT-QKKBWIMNSA-N 0 0 412.442 4.035 20 5 HIBDRN C[C@@H](Cc1ccccc1Br)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000470739766 885200891 /nfs/dbraw/zinc/20/08/91/885200891.db2.gz FBWCVNWRPLBSTN-ZDUSSCGKSA-N 0 0 405.292 4.382 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc1SC ZINC000470771587 885237354 /nfs/dbraw/zinc/23/73/54/885237354.db2.gz GGBFXGAUWJWEKK-JXFKEZNVSA-N 0 0 416.499 4.284 20 5 HIBDRN COCCN(Cc1ccc(C)o1)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000470778082 885247462 /nfs/dbraw/zinc/24/74/62/885247462.db2.gz DOGFFFNIGIVAJH-UHFFFAOYSA-N 0 0 415.490 4.021 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000470834973 885325269 /nfs/dbraw/zinc/32/52/69/885325269.db2.gz IMMAYLTXTIEFDT-UHFFFAOYSA-N 0 0 403.341 4.395 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2sc(C)nc2C)cs1 ZINC000470833832 885325522 /nfs/dbraw/zinc/32/55/22/885325522.db2.gz UQBVRRVMMJKWIT-UHFFFAOYSA-N 0 0 404.473 4.443 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000470846701 885344601 /nfs/dbraw/zinc/34/46/01/885344601.db2.gz IOWUALNDYHXDRT-UHFFFAOYSA-N 0 0 405.410 4.498 20 5 HIBDRN CCCCCn1c(=O)c2ccc(Cl)cc2nc1SCCn1cc([N+](=O)[O-])cn1 ZINC000470849388 885348807 /nfs/dbraw/zinc/34/88/07/885348807.db2.gz RDVOGFNEETYTCE-UHFFFAOYSA-N 0 0 421.910 4.137 20 5 HIBDRN C[C@H](Sc1nnc(C2CC2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000470861544 885354446 /nfs/dbraw/zinc/35/44/46/885354446.db2.gz YTUWAYSQIDYSDZ-ZETCQYMHSA-N 0 0 418.422 4.462 20 5 HIBDRN Cc1cc(N2CCC[C@@H]2c2ccccc2I)ncc1[N+](=O)[O-] ZINC000470870599 885358437 /nfs/dbraw/zinc/35/84/37/885358437.db2.gz ZOQKZUMMOQPDOM-CQSZACIVSA-N 0 0 409.227 4.244 20 5 HIBDRN O=[N+]([O-])c1cn(C[C@H](O)Cn2c3ccccc3c3ccccc32)nc1-c1ccncc1 ZINC000470879477 885370236 /nfs/dbraw/zinc/37/02/36/885370236.db2.gz HPUVDNPHWASSQU-KRWDZBQOSA-N 0 0 413.437 4.022 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000470893804 885391076 /nfs/dbraw/zinc/39/10/76/885391076.db2.gz XSAKPJFMADWXIW-UHFFFAOYSA-N 0 0 411.389 4.250 20 5 HIBDRN COc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)cc1[N+](=O)[O-] ZINC000470945201 885443933 /nfs/dbraw/zinc/44/39/33/885443933.db2.gz MBTCWEAWOFSHJB-GOSISDBHSA-N 0 0 406.442 4.361 20 5 HIBDRN Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)sc21 ZINC000471036912 885544983 /nfs/dbraw/zinc/54/49/83/885544983.db2.gz ACAODKGODGOZPZ-UHFFFAOYSA-N 0 0 403.370 4.281 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000471086272 885614910 /nfs/dbraw/zinc/61/49/10/885614910.db2.gz MLQNQZRDPJSDGC-UHFFFAOYSA-N 0 0 400.822 4.393 20 5 HIBDRN Cc1c(NC(=O)c2cc(I)ccc2Cl)cccc1[N+](=O)[O-] ZINC000471092022 885621556 /nfs/dbraw/zinc/62/15/56/885621556.db2.gz YJSPZDASZXTUQA-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1 ZINC000471096583 885626146 /nfs/dbraw/zinc/62/61/46/885626146.db2.gz WEDHISJJXIHSCG-UHFFFAOYSA-N 0 0 424.413 4.145 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000471103905 885636742 /nfs/dbraw/zinc/63/67/42/885636742.db2.gz KQSYINMNBCOBPI-LBPRGKRZSA-N 0 0 424.284 4.309 20 5 HIBDRN Cn1cc(Nc2cccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2)cn1 ZINC000471106308 885640608 /nfs/dbraw/zinc/64/06/08/885640608.db2.gz HHWWPBACAUBIIJ-UHFFFAOYSA-N 0 0 423.476 4.271 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000471160607 885713266 /nfs/dbraw/zinc/71/32/66/885713266.db2.gz GRRLZAGNRMDHPD-UHFFFAOYSA-N 0 0 422.279 4.070 20 5 HIBDRN CCCOc1cc(NC(=O)N2C[C@@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCCC ZINC000471170599 885728578 /nfs/dbraw/zinc/72/85/78/885728578.db2.gz VWTAJTWBLRGGGU-JLTOFOAXSA-N 0 0 421.494 4.204 20 5 HIBDRN O=C(NCC1CCN(c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000471193439 885761255 /nfs/dbraw/zinc/76/12/55/885761255.db2.gz DLPOMGKMUPFYRN-UHFFFAOYSA-N 0 0 420.416 4.234 20 5 HIBDRN Cc1ncsc1-c1nc(CSc2nc3cc4ccccc4cc3c(=O)n2C)no1 ZINC000471250695 885827914 /nfs/dbraw/zinc/82/79/14/885827914.db2.gz DQXFKSGBRSZHPR-UHFFFAOYSA-N 0 0 421.507 4.194 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)Cc2ccccc2SC)cc1[N+](=O)[O-] ZINC000471307291 885895996 /nfs/dbraw/zinc/89/59/96/885895996.db2.gz VOONMKSAKNOBQH-UHFFFAOYSA-N 0 0 406.529 4.217 20 5 HIBDRN COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000471312661 885903232 /nfs/dbraw/zinc/90/32/32/885903232.db2.gz BIRSTXAVLIFHHC-KRWDZBQOSA-N 0 0 421.291 4.125 20 5 HIBDRN Cc1c(I)cccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000471383164 886030428 /nfs/dbraw/zinc/03/04/28/886030428.db2.gz BPVJCEJTXWZTJQ-JTQLQIEISA-N 0 0 422.222 4.099 20 5 HIBDRN CC(=O)Nc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc(C(F)(F)F)c1 ZINC000471386056 886034478 /nfs/dbraw/zinc/03/44/78/886034478.db2.gz QTIXNHUIYXBEEN-SNVBAGLBSA-N 0 0 407.348 4.163 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1 ZINC000471385571 886034582 /nfs/dbraw/zinc/03/45/82/886034582.db2.gz NLDCMFSHJWJEOD-UHFFFAOYSA-N 0 0 418.236 4.369 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(C(=O)CC)ccc2Cl)cc([N+](=O)[O-])c1 ZINC000471400818 886051950 /nfs/dbraw/zinc/05/19/50/886051950.db2.gz FBFYJMNGVFXEML-UHFFFAOYSA-N 0 0 404.806 4.270 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000504092367 913002091 /nfs/dbraw/zinc/00/20/91/913002091.db2.gz MYHVSYBFODMYDY-UHFFFAOYSA-N 0 0 413.499 4.154 20 5 HIBDRN COc1ncc(C)cc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000471429237 886085766 /nfs/dbraw/zinc/08/57/66/886085766.db2.gz WEURBLLINPUBPS-AWEZNQCLSA-N 0 0 407.430 4.127 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000471431659 886088228 /nfs/dbraw/zinc/08/82/28/886088228.db2.gz OHRBMOHVGFCCDW-UHFFFAOYSA-N 0 0 406.442 4.151 20 5 HIBDRN CC(C)Cc1ncc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 ZINC000471437851 886098963 /nfs/dbraw/zinc/09/89/63/886098963.db2.gz VOLQFYSDRXBHNR-HNNXBMFYSA-N 0 0 420.473 4.404 20 5 HIBDRN COc1cccc([C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2OC)c1 ZINC000471447314 886117061 /nfs/dbraw/zinc/11/70/61/886117061.db2.gz RBXZTCNONWSUNC-QHCPKHFHSA-N 0 0 424.428 4.199 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000471504635 886205367 /nfs/dbraw/zinc/20/53/67/886205367.db2.gz USAKIAHLJUHVJP-GOEBONIOSA-N 0 0 402.422 4.207 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000471532484 886235896 /nfs/dbraw/zinc/23/58/96/886235896.db2.gz OHUBOLPRZHTUPZ-MGPUTAFESA-N 0 0 418.515 4.367 20 5 HIBDRN CCO[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C12CCOCC2 ZINC000471546985 886254175 /nfs/dbraw/zinc/25/41/75/886254175.db2.gz GYOKBVMWRQVKHB-MOPGFXCFSA-N 0 0 422.547 4.047 20 5 HIBDRN COC(=O)C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000471619924 886338363 /nfs/dbraw/zinc/33/83/63/886338363.db2.gz QPFLYDNXJSQSQY-FQEVSTJZSA-N 0 0 424.478 4.261 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000471643581 886358202 /nfs/dbraw/zinc/35/82/02/886358202.db2.gz RGHHOHTTWFFTSQ-UHFFFAOYSA-N 0 0 412.377 4.069 20 5 HIBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Br ZINC000471697660 886404203 /nfs/dbraw/zinc/40/42/03/886404203.db2.gz MBGJTTCHNJXTAF-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3cc4sccc4s3)CC2)ccc1[N+](=O)[O-] ZINC000471715496 886426194 /nfs/dbraw/zinc/42/61/94/886426194.db2.gz SEVADZIAXDAULH-UHFFFAOYSA-N 0 0 417.512 4.232 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000471757000 886487967 /nfs/dbraw/zinc/48/79/67/886487967.db2.gz JCNDDUWNSFUKGD-UHFFFAOYSA-N 0 0 406.364 4.312 20 5 HIBDRN Cc1c(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cccc1C(F)(F)F ZINC000471823177 886569823 /nfs/dbraw/zinc/56/98/23/886569823.db2.gz DAJQNWMCPONWIU-UHFFFAOYSA-N 0 0 423.347 4.249 20 5 HIBDRN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000471830749 886582214 /nfs/dbraw/zinc/58/22/14/886582214.db2.gz CKAIMFZOEXYIBR-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2ncccc12)N(Cc1ccccc1)CC(F)(F)F ZINC000471869864 886648598 /nfs/dbraw/zinc/64/85/98/886648598.db2.gz INLOWQXZHKWQIA-UHFFFAOYSA-N 0 0 419.359 4.113 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000471877838 886656838 /nfs/dbraw/zinc/65/68/38/886656838.db2.gz UPPLOCIKEJXMSF-SFHVURJKSA-N 0 0 417.874 4.020 20 5 HIBDRN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c3ncccc23)ccc1Br ZINC000471882213 886663160 /nfs/dbraw/zinc/66/31/60/886663160.db2.gz GJMFFGKUNUHETO-UHFFFAOYSA-N 0 0 416.231 4.231 20 5 HIBDRN CCc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000471901555 886684621 /nfs/dbraw/zinc/68/46/21/886684621.db2.gz VBQAZELQSUKIOY-HNNXBMFYSA-N 0 0 418.453 4.296 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)cc1[N+](=O)[O-] ZINC000471909432 886693903 /nfs/dbraw/zinc/69/39/03/886693903.db2.gz VUCBSIKNISYXKP-UHFFFAOYSA-N 0 0 404.426 4.365 20 5 HIBDRN O=[N+]([O-])c1cc(F)ccc1NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000504193135 913076605 /nfs/dbraw/zinc/07/66/05/913076605.db2.gz FHTZJNHKIWLIEY-SFHVURJKSA-N 0 0 413.371 4.238 20 5 HIBDRN CCCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504197746 913080096 /nfs/dbraw/zinc/08/00/96/913080096.db2.gz YZIJLQMEKIUTPB-HNNXBMFYSA-N 0 0 408.458 4.346 20 5 HIBDRN CCc1ccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1[N+](=O)[O-] ZINC000471985233 886813144 /nfs/dbraw/zinc/81/31/44/886813144.db2.gz RNDODMMFULUOCE-GOSISDBHSA-N 0 0 419.275 4.133 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3ccccc3)nn2)cc1SC ZINC000472018691 886840888 /nfs/dbraw/zinc/84/08/88/886840888.db2.gz RLJOBGTZOXNORZ-UHFFFAOYSA-N 0 0 410.455 4.059 20 5 HIBDRN COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(Cl)c1 ZINC000472172026 886971563 /nfs/dbraw/zinc/97/15/63/886971563.db2.gz KZQFPPINBUOFNV-UHFFFAOYSA-N 0 0 420.896 4.176 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000472184165 886984550 /nfs/dbraw/zinc/98/45/50/886984550.db2.gz YGTABLNGRLWHJO-KRWDZBQOSA-N 0 0 421.856 4.278 20 5 HIBDRN O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000472206665 887007475 /nfs/dbraw/zinc/00/74/75/887007475.db2.gz AGJKGPCDJJPJIT-UHFFFAOYSA-N 0 0 411.364 4.055 20 5 HIBDRN O=C(NCCOc1ccc(C(F)(F)F)cn1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000472230024 887035555 /nfs/dbraw/zinc/03/55/55/887035555.db2.gz NHEILASOFPHSOW-UHFFFAOYSA-N 0 0 411.361 4.032 20 5 HIBDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000504251764 913117964 /nfs/dbraw/zinc/11/79/64/913117964.db2.gz QLJPGICOIVZNFB-HNNXBMFYSA-N 0 0 404.426 4.042 20 5 HIBDRN CCc1c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cnn1-c1ccc(OC)cc1 ZINC000472340749 887177226 /nfs/dbraw/zinc/17/72/26/887177226.db2.gz PWAXFWOXNIHZDD-UHFFFAOYSA-N 0 0 417.425 4.152 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(C(F)(F)F)c1 ZINC000472503616 887370388 /nfs/dbraw/zinc/37/03/88/887370388.db2.gz RXHDZFCXVVGAHH-ZDUSSCGKSA-N 0 0 421.354 4.438 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)n2)cc1F ZINC000472518604 887387522 /nfs/dbraw/zinc/38/75/22/887387522.db2.gz LALMTWGVGNYVBP-SNVBAGLBSA-N 0 0 404.785 4.237 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1[N+](=O)[O-] ZINC000472548780 887429694 /nfs/dbraw/zinc/42/96/94/887429694.db2.gz OPCFXZLKBUGTDI-LLVKDONJSA-N 0 0 416.434 4.305 20 5 HIBDRN CC(C)C[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000472612870 887481953 /nfs/dbraw/zinc/48/19/53/887481953.db2.gz MRNBVYPDSRUGEE-KRWDZBQOSA-N 0 0 407.829 4.229 20 5 HIBDRN CCCCN1CCc2ccc(NC(=O)c3cc(OC)c(OCC)cc3[N+](=O)[O-])cc21 ZINC000472613116 887482291 /nfs/dbraw/zinc/48/22/91/887482291.db2.gz SBFAVLQPLHMFRW-UHFFFAOYSA-N 0 0 413.474 4.417 20 5 HIBDRN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472636493 887501342 /nfs/dbraw/zinc/50/13/42/887501342.db2.gz PKAFWRNEJPZKDT-JOCHJYFZSA-N 0 0 406.442 4.115 20 5 HIBDRN O=C(CSCc1nc(Cc2ccccc2[N+](=O)[O-])no1)c1ccc(Cl)cc1 ZINC000472657130 887517658 /nfs/dbraw/zinc/51/76/58/887517658.db2.gz WTSMXSARGVSVEX-UHFFFAOYSA-N 0 0 403.847 4.338 20 5 HIBDRN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1noc(-c2ccccc2)n1 ZINC000472666698 887522508 /nfs/dbraw/zinc/52/25/08/887522508.db2.gz MPPLWLLOXZWLID-INIZCTEOSA-N 0 0 424.460 4.082 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000472690995 887544903 /nfs/dbraw/zinc/54/49/03/887544903.db2.gz YKKHTASFSVHMTI-KXPUMZMLSA-N 0 0 417.462 4.219 20 5 HIBDRN CC1(C)CC[C@@H]2C[C@H](NC(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c3cccc1c32 ZINC000472693554 887547058 /nfs/dbraw/zinc/54/70/58/887547058.db2.gz QKCJSPFFJJHKEP-XIKOKIGWSA-N 0 0 411.433 4.089 20 5 HIBDRN O=C(Nc1ccc(SC2CCCC2)cc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472720300 887566951 /nfs/dbraw/zinc/56/69/51/887566951.db2.gz BJLLTXOVQNTAGS-UHFFFAOYSA-N 0 0 403.435 4.346 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC2(CC2)C1 ZINC000472746616 887592541 /nfs/dbraw/zinc/59/25/41/887592541.db2.gz GBDZPCZRLYSOLH-UHFFFAOYSA-N 0 0 416.481 4.393 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000504318373 913163040 /nfs/dbraw/zinc/16/30/40/913163040.db2.gz MBFOAOKFXNDZJU-CQSZACIVSA-N 0 0 421.478 4.178 20 5 HIBDRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000504319206 913165326 /nfs/dbraw/zinc/16/53/26/913165326.db2.gz WYUDZMIOMPFYDB-GFCCVEGCSA-N 0 0 411.439 4.401 20 5 HIBDRN C[C@H](Oc1ccc(Br)cc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000504323871 913166408 /nfs/dbraw/zinc/16/64/08/913166408.db2.gz FSZRMGGCQJZYSG-RYUDHWBXSA-N 0 0 405.248 4.102 20 5 HIBDRN CCCCCn1nc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c2ccccc2c1=O ZINC000504324700 913168575 /nfs/dbraw/zinc/16/85/75/913168575.db2.gz LGNHAKTXAJARMR-HNNXBMFYSA-N 0 0 420.469 4.086 20 5 HIBDRN Cc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])nn1CCCOc1ccc(F)cc1 ZINC000504325756 913168633 /nfs/dbraw/zinc/16/86/33/913168633.db2.gz UYZWCOFHYMZIRG-UHFFFAOYSA-N 0 0 412.421 4.269 20 5 HIBDRN CCOc1cc(C(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)c([N+](=O)[O-])cc1OC ZINC000472833485 887683952 /nfs/dbraw/zinc/68/39/52/887683952.db2.gz LBDALHMQPIAZFK-HNNXBMFYSA-N 0 0 424.457 4.369 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000472883246 887734393 /nfs/dbraw/zinc/73/43/93/887734393.db2.gz VCISNDKRDMSYPY-UHFFFAOYSA-N 0 0 400.740 4.235 20 5 HIBDRN COc1cccc(C=C2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)c1 ZINC000472959032 887808542 /nfs/dbraw/zinc/80/85/42/887808542.db2.gz ZJZWRQCIKNFWLG-UHFFFAOYSA-N 0 0 406.442 4.333 20 5 HIBDRN COc1ccc(CSCC(=O)NC2(Cc3ccccc3)CCC2)cc1[N+](=O)[O-] ZINC000472982638 887825338 /nfs/dbraw/zinc/82/53/38/887825338.db2.gz YPXRZSGGMWWGMN-UHFFFAOYSA-N 0 0 400.500 4.118 20 5 HIBDRN C[C@@H](Oc1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1)c1ccccc1 ZINC000473038732 887862106 /nfs/dbraw/zinc/86/21/06/887862106.db2.gz SPPUMTZVOVVTKO-MRXNPFEDSA-N 0 0 403.438 4.328 20 5 HIBDRN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000473195538 887973854 /nfs/dbraw/zinc/97/38/54/887973854.db2.gz SHZQPWOSUSNFGG-GOSISDBHSA-N 0 0 413.474 4.144 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1C ZINC000473241870 888010321 /nfs/dbraw/zinc/01/03/21/888010321.db2.gz KGACUFHLWHQFNV-CQSZACIVSA-N 0 0 424.482 4.151 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000473293531 888046830 /nfs/dbraw/zinc/04/68/30/888046830.db2.gz RZALIUYQMMNJRJ-GFCCVEGCSA-N 0 0 423.391 4.171 20 5 HIBDRN O=C(NCC1CCN(c2ccccc2)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000473294156 888047923 /nfs/dbraw/zinc/04/79/23/888047923.db2.gz SBZGJDXKHDIYMC-UHFFFAOYSA-N 0 0 411.505 4.328 20 5 HIBDRN Cc1c(NC(=O)C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000473318083 888061382 /nfs/dbraw/zinc/06/13/82/888061382.db2.gz FUUCNRWVBQFQEF-GFCCVEGCSA-N 0 0 423.391 4.171 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000473339470 888073348 /nfs/dbraw/zinc/07/33/48/888073348.db2.gz LVWMZRSOVDDEOG-UHFFFAOYSA-N 0 0 413.311 4.259 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000473355452 888080359 /nfs/dbraw/zinc/08/03/59/888080359.db2.gz LTPWUIWZFUMHAG-CYBMUJFWSA-N 0 0 412.204 4.032 20 5 HIBDRN O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000473402742 888118368 /nfs/dbraw/zinc/11/83/68/888118368.db2.gz BWXDFRJBBSJMHN-OAHLLOKOSA-N 0 0 407.430 4.208 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(Br)s1 ZINC000473464399 888188032 /nfs/dbraw/zinc/18/80/32/888188032.db2.gz SRKJPJRUGJHUMG-UHFFFAOYSA-N 0 0 407.249 4.370 20 5 HIBDRN COc1ccc(Cc2nnc(Sc3nc4ccccc4cc3[N+](=O)[O-])o2)cc1OC ZINC000473507966 888235544 /nfs/dbraw/zinc/23/55/44/888235544.db2.gz NBHZZIAYWNBKSN-UHFFFAOYSA-N 0 0 424.438 4.285 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000473510930 888239200 /nfs/dbraw/zinc/23/92/00/888239200.db2.gz WKXAESRFTCYBKD-GOSISDBHSA-N 0 0 401.369 4.322 20 5 HIBDRN COc1cc(CCNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000504407832 913225366 /nfs/dbraw/zinc/22/53/66/913225366.db2.gz IFPRHKKKKCZXGV-VQTJNVASSA-N 0 0 420.465 4.228 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000473521784 888257478 /nfs/dbraw/zinc/25/74/78/888257478.db2.gz RJSOMEDELXVQAM-GOSISDBHSA-N 0 0 401.369 4.322 20 5 HIBDRN COc1cc(OC)cc([C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])c2nccn2C)c1 ZINC000473528972 888266994 /nfs/dbraw/zinc/26/69/94/888266994.db2.gz INKIYSKVEHSKRC-HXUWFJFHSA-N 0 0 419.441 4.095 20 5 HIBDRN Cc1nc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)oc1-c1ccc(Cl)cc1 ZINC000473667507 888423920 /nfs/dbraw/zinc/42/39/20/888423920.db2.gz OXSUHZKRSOKUFM-UHFFFAOYSA-N 0 0 414.849 4.254 20 5 HIBDRN COc1ccc(-c2nc(Sc3ncc(C)cc3[N+](=O)[O-])n[nH]2)cc1Br ZINC000473715827 888492096 /nfs/dbraw/zinc/49/20/96/888492096.db2.gz GLPNVVAJLCQUSW-UHFFFAOYSA-N 0 0 422.264 4.006 20 5 HIBDRN COc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc(Br)c1OC ZINC000473770224 888568530 /nfs/dbraw/zinc/56/85/30/888568530.db2.gz RZUPFGJTPAVGSH-UHFFFAOYSA-N 0 0 424.251 4.005 20 5 HIBDRN C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1noc(-c2ccccc2)n1 ZINC000473771559 888570725 /nfs/dbraw/zinc/57/07/25/888570725.db2.gz DHQHTGGIBRSEKE-SNVBAGLBSA-N 0 0 419.344 4.129 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccc(SC)cc1 ZINC000473783278 888590505 /nfs/dbraw/zinc/59/05/05/888590505.db2.gz KFHROOILWHPGOY-MRXNPFEDSA-N 0 0 403.460 4.051 20 5 HIBDRN CC(C)c1ccc(C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)cc1[N+](=O)[O-] ZINC000473847402 888694627 /nfs/dbraw/zinc/69/46/27/888694627.db2.gz NHOQUMWRTMWBEV-UHFFFAOYSA-N 0 0 422.384 4.321 20 5 HIBDRN COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1O ZINC000473900972 888777376 /nfs/dbraw/zinc/77/73/76/888777376.db2.gz FWIHAMJAODBCQH-UHFFFAOYSA-N 0 0 408.410 4.374 20 5 HIBDRN C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1noc(Cc2ccccc2)n1 ZINC000473907676 888783879 /nfs/dbraw/zinc/78/38/79/888783879.db2.gz BELFSMMAXIYUFB-AWEZNQCLSA-N 0 0 408.458 4.357 20 5 HIBDRN C[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cc2cccc(F)c2o1 ZINC000473923387 888803370 /nfs/dbraw/zinc/80/33/70/888803370.db2.gz QDMIQXNHDREHSI-CQSZACIVSA-N 0 0 412.421 4.073 20 5 HIBDRN CC[C@H](NC(=O)N1CCC(Nc2nc(C)cs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000474034845 888881888 /nfs/dbraw/zinc/88/18/88/888881888.db2.gz UPWPRBZVPJGSSG-KRWDZBQOSA-N 0 0 403.508 4.097 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2nc[nH]n2)cc1 ZINC000474136543 888957755 /nfs/dbraw/zinc/95/77/55/888957755.db2.gz VUYFSMNKVREORC-UHFFFAOYSA-N 0 0 401.382 4.425 20 5 HIBDRN CC(C)(C)N(Cc1ccccc1Br)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000474152488 888983870 /nfs/dbraw/zinc/98/38/70/888983870.db2.gz HXBKTQYMCJOTTN-UHFFFAOYSA-N 0 0 420.307 4.257 20 5 HIBDRN CCOc1ccccc1[C@H](CC)NC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000504510332 913300047 /nfs/dbraw/zinc/30/00/47/913300047.db2.gz VWMYXRGJIBENAU-FQEVSTJZSA-N 0 0 408.458 4.125 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000474232319 889075009 /nfs/dbraw/zinc/07/50/09/889075009.db2.gz WNHGMUKJPYFZSZ-RBZFPXEDSA-N 0 0 413.861 4.261 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)cc1OC ZINC000474275356 889140960 /nfs/dbraw/zinc/14/09/60/889140960.db2.gz PFJNNVYMYIOWTO-HOTGVXAUSA-N 0 0 422.522 4.353 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)cc1SC ZINC000474335614 889208486 /nfs/dbraw/zinc/20/84/86/889208486.db2.gz WUHGXKNOCZQLMQ-CVEARBPZSA-N 0 0 400.500 4.467 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000474340536 889214652 /nfs/dbraw/zinc/21/46/52/889214652.db2.gz KHBPYMKWJRSYHD-HUUCEWRRSA-N 0 0 420.412 4.346 20 5 HIBDRN COc1c(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cccc1[N+](=O)[O-] ZINC000474418676 889282575 /nfs/dbraw/zinc/28/25/75/889282575.db2.gz ZBDOEESXBGRDHM-UHFFFAOYSA-N 0 0 403.485 4.069 20 5 HIBDRN Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1-n1cncn1 ZINC000474439044 889304115 /nfs/dbraw/zinc/30/41/15/889304115.db2.gz LWVPDVWMPDJFCO-UHFFFAOYSA-N 0 0 413.437 4.331 20 5 HIBDRN CCc1cnc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000474470872 889333816 /nfs/dbraw/zinc/33/38/16/889333816.db2.gz KEXOKTOFMLATAA-HUUCEWRRSA-N 0 0 416.547 4.368 20 5 HIBDRN CCc1cnc(CN(C)C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000474469917 889333889 /nfs/dbraw/zinc/33/38/89/889333889.db2.gz IHDKIJYDLBBLAI-AWEZNQCLSA-N 0 0 402.520 4.122 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000474508371 889371214 /nfs/dbraw/zinc/37/12/14/889371214.db2.gz CIXFEWYXPXSOQK-NHYWBVRUSA-N 0 0 412.273 4.304 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cc(Cl)c1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000474648231 889510227 /nfs/dbraw/zinc/51/02/27/889510227.db2.gz BAUSNEYWALCQMZ-UHFFFAOYSA-N 0 0 413.817 4.231 20 5 HIBDRN CC[C@@]1(C)Oc2ccc(NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])cc2O1 ZINC000474656190 889520066 /nfs/dbraw/zinc/52/00/66/889520066.db2.gz IGVZLPLCOVEIQI-IBGZPJMESA-N 0 0 404.444 4.475 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCSC2(CCOCC2)C1 ZINC000474665498 889531387 /nfs/dbraw/zinc/53/13/87/889531387.db2.gz COXMIUPPESBPCG-UHFFFAOYSA-N 0 0 414.483 4.125 20 5 HIBDRN COc1c(C(=O)N(Cc2cccc(Br)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000474693646 889554507 /nfs/dbraw/zinc/55/45/07/889554507.db2.gz SXZQQFSNKHDRAT-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000474727516 889583066 /nfs/dbraw/zinc/58/30/66/889583066.db2.gz RJUXJRAZJFQMOB-KGLIPLIRSA-N 0 0 413.865 4.093 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474737720 889592595 /nfs/dbraw/zinc/59/25/95/889592595.db2.gz DWNGPTZUUXBVIG-GJZGRUSLSA-N 0 0 417.893 4.019 20 5 HIBDRN CNC(=O)c1ccc(N2CCC(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000474775341 889632586 /nfs/dbraw/zinc/63/25/86/889632586.db2.gz NSTLWKZUGIRELL-UHFFFAOYSA-N 0 0 407.392 4.357 20 5 HIBDRN COc1c(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000474788374 889645444 /nfs/dbraw/zinc/64/54/44/889645444.db2.gz FBJJCQIWMQYBPJ-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN CCN(CC(C)(C)O)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000474861692 889717268 /nfs/dbraw/zinc/71/72/68/889717268.db2.gz UMZAOOZQRXYFMJ-UHFFFAOYSA-N 0 0 422.865 4.282 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000474870720 889724549 /nfs/dbraw/zinc/72/45/49/889724549.db2.gz RLVLKTPRWMQDFM-KRWDZBQOSA-N 0 0 420.453 4.262 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474889655 889747165 /nfs/dbraw/zinc/74/71/65/889747165.db2.gz UBJBVMPUOPBYOZ-MRXNPFEDSA-N 0 0 414.767 4.481 20 5 HIBDRN Cc1sc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000474890612 889747345 /nfs/dbraw/zinc/74/73/45/889747345.db2.gz KGGHVMDGNQTYRI-CQSZACIVSA-N 0 0 400.378 4.197 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474892014 889750108 /nfs/dbraw/zinc/75/01/08/889750108.db2.gz HFSUTDPFASIYLP-ILXRZTDVSA-N 0 0 417.893 4.017 20 5 HIBDRN CCOc1ccc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000474896289 889755580 /nfs/dbraw/zinc/75/55/80/889755580.db2.gz ZKMLJQGRIHLCNZ-SFHVURJKSA-N 0 0 424.375 4.226 20 5 HIBDRN CCOC1CC(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000474907820 889768054 /nfs/dbraw/zinc/76/80/54/889768054.db2.gz BSABFYWAIUASOE-UHFFFAOYSA-N 0 0 406.426 4.027 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000474911375 889771361 /nfs/dbraw/zinc/77/13/61/889771361.db2.gz OAWRIOGHJPYCCQ-INIZCTEOSA-N 0 0 417.510 4.089 20 5 HIBDRN COc1c(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000475016831 889869579 /nfs/dbraw/zinc/86/95/79/889869579.db2.gz PADHMDBCGLEQAP-UHFFFAOYSA-N 0 0 419.437 4.061 20 5 HIBDRN O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000475121765 889978713 /nfs/dbraw/zinc/97/87/13/889978713.db2.gz SFVVVWJLMHJJHF-QUCCMNQESA-N 0 0 414.433 4.096 20 5 HIBDRN COC(=O)[C@H](CC(F)(F)F)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000475134973 890000758 /nfs/dbraw/zinc/00/07/58/890000758.db2.gz FEGXJSZHXMEOJJ-AWEZNQCLSA-N 0 0 416.327 4.110 20 5 HIBDRN O=C(Nc1ccc(NCc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000475179631 890049100 /nfs/dbraw/zinc/04/91/00/890049100.db2.gz CUJYWGOCCSQUEK-KRWDZBQOSA-N 0 0 409.364 4.343 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)Nc1ccccc1O[C@H]1CCOC1 ZINC000475182297 890051949 /nfs/dbraw/zinc/05/19/49/890051949.db2.gz FFWCRGMUPPUIBV-LBPRGKRZSA-N 0 0 411.336 4.425 20 5 HIBDRN Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000475186871 890057696 /nfs/dbraw/zinc/05/76/96/890057696.db2.gz UVCKDNDTEHBJPB-AWEZNQCLSA-N 0 0 413.356 4.454 20 5 HIBDRN COc1cc2c(cc1F)CN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 ZINC000475189162 890059410 /nfs/dbraw/zinc/05/94/10/890059410.db2.gz HMHQFMGFUPLZSU-UHFFFAOYSA-N 0 0 413.327 4.352 20 5 HIBDRN COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1NC(C)=O ZINC000475193593 890063300 /nfs/dbraw/zinc/06/33/00/890063300.db2.gz WBMDAHGMBVBOCQ-UHFFFAOYSA-N 0 0 412.324 4.225 20 5 HIBDRN O=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475196344 890064547 /nfs/dbraw/zinc/06/45/47/890064547.db2.gz USRIKOVYYKIJEW-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc([S@@](C)=O)cc1 ZINC000475198966 890068009 /nfs/dbraw/zinc/06/80/09/890068009.db2.gz YOMVERUHBATQCC-OJKRAFQWSA-N 0 0 415.393 4.234 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCc2ccc(F)c(F)c2C1 ZINC000475228268 890098252 /nfs/dbraw/zinc/09/82/52/890098252.db2.gz CUAXJHHADXEIEX-UHFFFAOYSA-N 0 0 401.291 4.482 20 5 HIBDRN CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)c12 ZINC000475295829 890201891 /nfs/dbraw/zinc/20/18/91/890201891.db2.gz KDMZCUFZDYHAPH-UHFFFAOYSA-N 0 0 407.386 4.299 20 5 HIBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000475301860 890209391 /nfs/dbraw/zinc/20/93/91/890209391.db2.gz LREJYZNKLHVECQ-UHFFFAOYSA-N 0 0 402.407 4.034 20 5 HIBDRN Cc1nc(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)ccc1[N+](=O)[O-] ZINC000475308062 890220652 /nfs/dbraw/zinc/22/06/52/890220652.db2.gz KZSKIAQFBFANGM-UHFFFAOYSA-N 0 0 407.352 4.500 20 5 HIBDRN Cc1ccc(-n2ncc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)c2C(F)(F)F)cc1 ZINC000475311254 890224756 /nfs/dbraw/zinc/22/47/56/890224756.db2.gz HOKHWYXYRQAHSP-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN Cc1nnc(-c2cc(F)ccc2NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000475336649 890255385 /nfs/dbraw/zinc/25/53/85/890255385.db2.gz UIWOZKYZWJOQST-UHFFFAOYSA-N 0 0 408.393 4.105 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1OCC(F)F ZINC000475416125 890340875 /nfs/dbraw/zinc/34/08/75/890340875.db2.gz XFXAUQRDNSKYSR-JTQLQIEISA-N 0 0 400.765 4.298 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCCOc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000504714393 913447902 /nfs/dbraw/zinc/44/79/02/913447902.db2.gz BUSVVIBWPUQSKE-APWZRJJASA-N 0 0 409.486 4.475 20 5 HIBDRN CCOc1cc(NC(=O)c2ccc(OC)cc2OC(C)C)c([N+](=O)[O-])cc1OCC ZINC000475462226 890372144 /nfs/dbraw/zinc/37/21/44/890372144.db2.gz ANENASWKVQKBFV-UHFFFAOYSA-N 0 0 418.446 4.440 20 5 HIBDRN CCOc1cc(NC(=O)c2sc(CC3CC3)nc2C)c([N+](=O)[O-])cc1OCC ZINC000475467316 890377456 /nfs/dbraw/zinc/37/74/56/890377456.db2.gz KAUGFKKVTPQZAJ-UHFFFAOYSA-N 0 0 405.476 4.362 20 5 HIBDRN COc1c(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000475530070 890453534 /nfs/dbraw/zinc/45/35/34/890453534.db2.gz RLVRZODEZJXDOD-QGZVFWFLSA-N 0 0 408.414 4.021 20 5 HIBDRN Cc1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1N1C(=O)CNC1=O ZINC000475565383 890494315 /nfs/dbraw/zinc/49/43/15/890494315.db2.gz PBAQICBUZQSFPD-UHFFFAOYSA-N 0 0 422.466 4.300 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000475567906 890497836 /nfs/dbraw/zinc/49/78/36/890497836.db2.gz ZLCHIURSICRCRB-UHFFFAOYSA-N 0 0 405.401 4.317 20 5 HIBDRN CC[C@H]1NC(=O)N(c2cccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)c2)C1=O ZINC000475573050 890504897 /nfs/dbraw/zinc/50/48/97/890504897.db2.gz RJHXFFURWOIMEG-GOSISDBHSA-N 0 0 420.425 4.302 20 5 HIBDRN COCCOc1ccc([C@@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1OC ZINC000475641124 890582192 /nfs/dbraw/zinc/58/21/92/890582192.db2.gz QTIJHGHSDWMUEE-OAHLLOKOSA-N 0 0 417.462 4.128 20 5 HIBDRN O=C(Nc1nc2c(s1)CCCC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000475658255 890604791 /nfs/dbraw/zinc/60/47/91/890604791.db2.gz VUIRPGQJVJZEGS-UHFFFAOYSA-N 0 0 402.476 4.005 20 5 HIBDRN Cc1ccc2c(n1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000475808914 890743114 /nfs/dbraw/zinc/74/31/14/890743114.db2.gz HGAUUNOBAXSUAT-UHFFFAOYSA-N 0 0 407.451 4.489 20 5 HIBDRN CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000475828741 890762325 /nfs/dbraw/zinc/76/23/25/890762325.db2.gz HHNYLJSMOHVCIE-UHFFFAOYSA-N 0 0 403.243 4.295 20 5 HIBDRN COc1ccc(NC(=O)CSCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000475891455 890824414 /nfs/dbraw/zinc/82/44/14/890824414.db2.gz HGRVVJBECGAYAU-UHFFFAOYSA-N 0 0 400.378 4.494 20 5 HIBDRN CCn1c(SCC(=O)C2(c3ccccc3)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000475892578 890825583 /nfs/dbraw/zinc/82/55/83/890825583.db2.gz OXWFBHWHYDTSCV-UHFFFAOYSA-N 0 0 408.483 4.266 20 5 HIBDRN C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000475927408 890853352 /nfs/dbraw/zinc/85/33/52/890853352.db2.gz QONLAPPDQKKXTB-MRXNPFEDSA-N 0 0 405.458 4.129 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(SCCOC)cc2)cc1[N+](=O)[O-] ZINC000504760420 913495483 /nfs/dbraw/zinc/49/54/83/913495483.db2.gz RGDFWIOIJPURQW-AWEZNQCLSA-N 0 0 404.488 4.223 20 5 HIBDRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000475960927 890882257 /nfs/dbraw/zinc/88/22/57/890882257.db2.gz 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COc1cccc(C2=CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000476153074 891077644 /nfs/dbraw/zinc/07/76/44/891077644.db2.gz MWDYYOJEOMOZJX-AWEZNQCLSA-N 0 0 416.861 4.340 20 5 HIBDRN C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000476197867 891129363 /nfs/dbraw/zinc/12/93/63/891129363.db2.gz IXTZGJKSGSWCSJ-CXAGYDPISA-N 0 0 404.850 4.416 20 5 HIBDRN Cc1c(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cccc1[N+](=O)[O-] ZINC000476377871 891292168 /nfs/dbraw/zinc/29/21/68/891292168.db2.gz LCNLULBDHMJCGC-IAGOWNOFSA-N 0 0 410.257 4.332 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000476388744 891303783 /nfs/dbraw/zinc/30/37/83/891303783.db2.gz DIYAIRZTTGETFV-UHFFFAOYSA-N 0 0 408.201 4.075 20 5 HIBDRN O=C(Nc1ccc(OCCO)cc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000476417415 891332286 /nfs/dbraw/zinc/33/22/86/891332286.db2.gz FXZWZMULHSINOC-UHFFFAOYSA-N 0 0 410.451 4.369 20 5 HIBDRN O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000476514831 891429693 /nfs/dbraw/zinc/42/96/93/891429693.db2.gz SIZSLNUNCLSFHU-OAQYLSRUSA-N 0 0 419.412 4.440 20 5 HIBDRN CC1(C)CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000476518102 891431483 /nfs/dbraw/zinc/43/14/83/891431483.db2.gz RKFODTZEDKUFLD-UHFFFAOYSA-N 0 0 404.470 4.391 20 5 HIBDRN Cc1cc(C)c(Nc2nnc(SCc3c([N+](=O)[O-])ncn3C)s2)c(Cl)c1 ZINC000476517689 891431902 /nfs/dbraw/zinc/43/19/02/891431902.db2.gz ZDJLGJLSCCBDJW-UHFFFAOYSA-N 0 0 410.912 4.486 20 5 HIBDRN Cc1sc2nc(SCc3c([N+](=O)[O-])ncn3C)n(C3CCCC3)c(=O)c2c1C ZINC000476519358 891433671 /nfs/dbraw/zinc/43/36/71/891433671.db2.gz DZTMOVYZAPPGNW-UHFFFAOYSA-N 0 0 419.532 4.124 20 5 HIBDRN COc1nn(C)cc1NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000476557525 891474332 /nfs/dbraw/zinc/47/43/32/891474332.db2.gz BBFVTXZCMFJDSH-UHFFFAOYSA-N 0 0 418.862 4.394 20 5 HIBDRN N#CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(F)c(Br)c1 ZINC000476568952 891489072 /nfs/dbraw/zinc/48/90/72/891489072.db2.gz 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COc1ccc(NC(=O)c2cc3sc(N4CCCC4)nc3s2)c([N+](=O)[O-])c1 ZINC000476844898 891819164 /nfs/dbraw/zinc/81/91/64/891819164.db2.gz IDTYGYITMRUESY-UHFFFAOYSA-N 0 0 404.473 4.127 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000476857259 891824987 /nfs/dbraw/zinc/82/49/87/891824987.db2.gz HZPJSAFZOONCIG-UHFFFAOYSA-N 0 0 412.442 4.307 20 5 HIBDRN COC(=O)c1cc(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000504882067 913611962 /nfs/dbraw/zinc/61/19/62/913611962.db2.gz LWRYIGAZUYRDSJ-JTQLQIEISA-N 0 0 411.241 4.049 20 5 HIBDRN COC(=O)[C@@H](Cc1ccc(C)cc1)S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000477096170 892028972 /nfs/dbraw/zinc/02/89/72/892028972.db2.gz XQGRWGVPJVRZON-HNAYVOBHSA-N 0 0 416.499 4.056 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(OC(C)(C)C)n1 ZINC000504887179 913620294 /nfs/dbraw/zinc/62/02/94/913620294.db2.gz HZCFYRFYVDGFRH-UHFFFAOYSA-N 0 0 400.479 4.287 20 5 HIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000477165816 892088123 /nfs/dbraw/zinc/08/81/23/892088123.db2.gz TUBLVMYIWPOJHK-UHFFFAOYSA-N 0 0 408.462 4.141 20 5 HIBDRN O=C(COC/C=C\c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000477252515 892204221 /nfs/dbraw/zinc/20/42/21/892204221.db2.gz OHEGELMGOGYHKJ-TWGQIWQCSA-N 0 0 408.376 4.216 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000477280216 892233315 /nfs/dbraw/zinc/23/33/15/892233315.db2.gz LGRBHUJNVORHHC-GOSISDBHSA-N 0 0 423.238 4.143 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000477279861 892234268 /nfs/dbraw/zinc/23/42/68/892234268.db2.gz JMGQUGGXBGZSEA-GFCCVEGCSA-N 0 0 403.866 4.471 20 5 HIBDRN CCC1(C)CCN(C(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])CC1 ZINC000504915794 913651902 /nfs/dbraw/zinc/65/19/02/913651902.db2.gz WKVNUIJEQJOLCJ-UHFFFAOYSA-N 0 0 419.503 4.291 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000477320993 892285301 /nfs/dbraw/zinc/28/53/01/892285301.db2.gz LAPVUHVNLJKINT-UHFFFAOYSA-N 0 0 417.780 4.414 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000477334885 892304329 /nfs/dbraw/zinc/30/43/29/892304329.db2.gz WOVLLVNFVJTHJC-HUUCEWRRSA-N 0 0 413.449 4.033 20 5 HIBDRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000477361287 892326615 /nfs/dbraw/zinc/32/66/15/892326615.db2.gz KKBSJYFVGSPXFZ-INIZCTEOSA-N 0 0 405.857 4.403 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3cccc4c(C)c(C)[nH]c43)CC2)ccc1[N+](=O)[O-] ZINC000477363343 892326851 /nfs/dbraw/zinc/32/68/51/892326851.db2.gz CQLAUDMGOIDVMS-UHFFFAOYSA-N 0 0 422.485 4.054 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000504920592 913656357 /nfs/dbraw/zinc/65/63/57/913656357.db2.gz SNOIAAWSRFJTGE-UHFFFAOYSA-N 0 0 411.477 4.429 20 5 HIBDRN Cc1c(Cl)c(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)nc2ccccc12 ZINC000477425733 892378184 /nfs/dbraw/zinc/37/81/84/892378184.db2.gz HQNUXHBYTZKNMK-UHFFFAOYSA-N 0 0 408.639 4.077 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000477425512 892378275 /nfs/dbraw/zinc/37/82/75/892378275.db2.gz VASDGXNNUFBJDU-UHFFFAOYSA-N 0 0 403.442 4.212 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(F)ccc1OC(F)F ZINC000477600626 892678052 /nfs/dbraw/zinc/67/80/52/892678052.db2.gz VNILNAOHHGDCCW-UHFFFAOYSA-N 0 0 403.744 4.353 20 5 HIBDRN COc1c(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000477604985 892687874 /nfs/dbraw/zinc/68/78/74/892687874.db2.gz QUPZATPFGBAFKP-UHFFFAOYSA-N 0 0 406.263 4.476 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000477613595 892707290 /nfs/dbraw/zinc/70/72/90/892707290.db2.gz WCZPFNACFVTNLS-ZDUSSCGKSA-N 0 0 401.850 4.174 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000477614392 892709301 /nfs/dbraw/zinc/70/93/01/892709301.db2.gz YOTJCGBVIHOWLE-UHFFFAOYSA-N 0 0 420.246 4.196 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000477614511 892710017 /nfs/dbraw/zinc/71/00/17/892710017.db2.gz ZKJRKGMQBKSXNX-UHFFFAOYSA-N 0 0 406.263 4.233 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000477617649 892716261 /nfs/dbraw/zinc/71/62/61/892716261.db2.gz MSHSOWMISFXTPR-UHFFFAOYSA-N 0 0 406.263 4.476 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000477624273 892733402 /nfs/dbraw/zinc/73/34/02/892733402.db2.gz GFBZMILNCCWZRO-CQSZACIVSA-N 0 0 403.866 4.202 20 5 HIBDRN CCOc1cc(Br)ccc1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000477624108 892736073 /nfs/dbraw/zinc/73/60/73/892736073.db2.gz YEJDQNVOCUBESL-NSHDSACASA-N 0 0 408.252 4.195 20 5 HIBDRN Cc1c(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000477624992 892739434 /nfs/dbraw/zinc/73/94/34/892739434.db2.gz WAUHIMFLCITMOU-UHFFFAOYSA-N 0 0 417.828 4.246 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000477627491 892742489 /nfs/dbraw/zinc/74/24/89/892742489.db2.gz SIEDDUWGSBSTJT-UHFFFAOYSA-N 0 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CCc1nn(C)c(CC)c1CC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000477873922 892935240 /nfs/dbraw/zinc/93/52/40/892935240.db2.gz GHABZIGFBJWHQQ-UHFFFAOYSA-N 0 0 413.503 4.066 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(NC(=O)c2ccccc2)cn1)c1ccc([N+](=O)[O-])cc1F ZINC000477888387 892954891 /nfs/dbraw/zinc/95/48/91/892954891.db2.gz CUAITQWOODGWSD-UHFFFAOYSA-N 0 0 422.416 4.298 20 5 HIBDRN Cc1coc(-c2cc(NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)ccc2C)n1 ZINC000477971077 893063582 /nfs/dbraw/zinc/06/35/82/893063582.db2.gz WYCOHGKSYZJNLC-UHFFFAOYSA-N 0 0 421.457 4.221 20 5 HIBDRN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000477983434 893082854 /nfs/dbraw/zinc/08/28/54/893082854.db2.gz AAMHXZBAQCFNNL-UHFFFAOYSA-N 0 0 408.461 4.492 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000477986718 893087348 /nfs/dbraw/zinc/08/73/48/893087348.db2.gz NGXFJSNQGUWAAQ-GBXCKJPGSA-N 0 0 420.472 4.153 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000478049370 893197949 /nfs/dbraw/zinc/19/79/49/893197949.db2.gz SVYGHGDLGAYJDX-OAHLLOKOSA-N 0 0 417.824 4.078 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Cl ZINC000478051321 893201049 /nfs/dbraw/zinc/20/10/49/893201049.db2.gz CKTWOJGRVCYAKA-UHFFFAOYSA-N 0 0 412.671 4.325 20 5 HIBDRN C[C@@H]1CC[C@@H](CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000478109717 893273988 /nfs/dbraw/zinc/27/39/88/893273988.db2.gz CJKNZZQTSBMMBS-ZIAGYGMSSA-N 0 0 413.440 4.382 20 5 HIBDRN O=C(Nc1cccc(OCc2cscn2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000505009975 913752750 /nfs/dbraw/zinc/75/27/50/913752750.db2.gz AABODBKLZHFNPZ-UHFFFAOYSA-N 0 0 424.482 4.483 20 5 HIBDRN CC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)nc1C ZINC000478129778 893301422 /nfs/dbraw/zinc/30/14/22/893301422.db2.gz BLMCAQBAAKUKKP-UHFFFAOYSA-N 0 0 405.410 4.223 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000478135394 893306395 /nfs/dbraw/zinc/30/63/95/893306395.db2.gz OVVKEOIVQFJFJC-UHFFFAOYSA-N 0 0 413.499 4.261 20 5 HIBDRN Cc1nc(CCNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)sc1C ZINC000478170589 893336900 /nfs/dbraw/zinc/33/69/00/893336900.db2.gz GOIZNZQJOKRNQP-KBPBESRZSA-N 0 0 416.547 4.123 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000478187955 893351226 /nfs/dbraw/zinc/35/12/26/893351226.db2.gz XKDJZPJXIBNIQD-MZPVMMEZSA-N 0 0 408.426 4.349 20 5 HIBDRN COCC[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccco1 ZINC000505017914 913759806 /nfs/dbraw/zinc/75/98/06/913759806.db2.gz CHTKNSFCGAHSAS-JZXOWHBKSA-N 0 0 415.490 4.178 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000478250502 893423280 /nfs/dbraw/zinc/42/32/80/893423280.db2.gz KNFOLPOMEDACIF-OCCSQVGLSA-N 0 0 424.375 4.410 20 5 HIBDRN C[C@H](SCC(=O)Nc1ccc(F)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000505029391 913771279 /nfs/dbraw/zinc/77/12/79/913771279.db2.gz GJUPDYBPOHAQTR-NSHDSACASA-N 0 0 402.407 4.217 20 5 HIBDRN COC(=O)c1cnc(NCc2ccc(COCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000478276182 893475099 /nfs/dbraw/zinc/47/50/99/893475099.db2.gz FWVLSOJQFZNKLN-UHFFFAOYSA-N 0 0 407.426 4.105 20 5 HIBDRN CC(C)Cn1ncc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C(F)F ZINC000478277583 893477724 /nfs/dbraw/zinc/47/77/24/893477724.db2.gz SMABGEVWAZTBKW-UHFFFAOYSA-N 0 0 404.421 4.398 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000505033006 913774289 /nfs/dbraw/zinc/77/42/89/913774289.db2.gz PQBJQROFZAPZHJ-CYBMUJFWSA-N 0 0 406.529 4.484 20 5 HIBDRN O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000478329361 893562865 /nfs/dbraw/zinc/56/28/65/893562865.db2.gz LUPPKSLRFLQMOM-GFCCVEGCSA-N 0 0 413.783 4.276 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000478338321 893579004 /nfs/dbraw/zinc/57/90/04/893579004.db2.gz JTSFIXAJNJROMW-LHSJRXKWSA-N 0 0 416.861 4.064 20 5 HIBDRN O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000478391914 893671095 /nfs/dbraw/zinc/67/10/95/893671095.db2.gz RMXUPRSIPYTRAX-UHFFFAOYSA-N 0 0 417.400 4.293 20 5 HIBDRN C[C@@H](Sc1ccc(Br)cc1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000512380363 921118330 /nfs/dbraw/zinc/11/83/30/921118330.db2.gz AIRKBNBUKCVZPE-GFCCVEGCSA-N 0 0 424.320 4.066 20 5 HIBDRN CC(C)c1nccn1Cc1cccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000505061410 913799740 /nfs/dbraw/zinc/79/97/40/913799740.db2.gz LAUVHGFXCVTLNE-UHFFFAOYSA-N 0 0 422.489 4.197 20 5 HIBDRN O=C(Nc1cccc(OCc2cscn2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000505062533 913800780 /nfs/dbraw/zinc/80/07/80/913800780.db2.gz SMOFLNKFHGZOBY-UHFFFAOYSA-N 0 0 421.438 4.068 20 5 HIBDRN CCNc1ccc(C(=O)NC[C@H](C)CSc2ccccc2OC)cc1[N+](=O)[O-] ZINC000505067515 913802854 /nfs/dbraw/zinc/80/28/54/913802854.db2.gz CNTWZEDDEOOOOQ-AWEZNQCLSA-N 0 0 403.504 4.193 20 5 HIBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000478523765 893829449 /nfs/dbraw/zinc/82/94/49/893829449.db2.gz SXYTYBXLCAZVTA-UHFFFAOYSA-N 0 0 404.348 4.276 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccc(OC(F)F)cc2)no1 ZINC000478535688 893836524 /nfs/dbraw/zinc/83/65/24/893836524.db2.gz HGIXLOCPAYENDA-UHFFFAOYSA-N 0 0 405.313 4.112 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1OC ZINC000505088977 913812517 /nfs/dbraw/zinc/81/25/17/913812517.db2.gz GYSOZOQFOPECBR-UHFFFAOYSA-N 0 0 406.394 4.095 20 5 HIBDRN COc1cc(C(=O)N(C)c2ccn(C)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000478655294 893898873 /nfs/dbraw/zinc/89/88/73/893898873.db2.gz XTBDABFCBBWUJL-UHFFFAOYSA-N 0 0 416.821 4.059 20 5 HIBDRN COc1ccc(Oc2cc(CNC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)ccn2)cc1 ZINC000478682062 893935551 /nfs/dbraw/zinc/93/55/51/893935551.db2.gz RPCMPOJFEBUTBW-UHFFFAOYSA-N 0 0 423.425 4.038 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(CNC(=O)c2csc([N+](=O)[O-])c2)on1 ZINC000478686481 893942086 /nfs/dbraw/zinc/94/20/86/893942086.db2.gz JGTBJQOLAJVSLQ-UHFFFAOYSA-N 0 0 409.423 4.403 20 5 HIBDRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000478689568 893946466 /nfs/dbraw/zinc/94/64/66/893946466.db2.gz OVVBFPKUARCHAB-SFHVURJKSA-N 0 0 418.375 4.074 20 5 HIBDRN CC(C)c1csc(CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000478717678 893987425 /nfs/dbraw/zinc/98/74/25/893987425.db2.gz CIRIOKDTHACEQS-AWEZNQCLSA-N 0 0 402.520 4.341 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(CNC(=O)c2cccc([N+](=O)[O-])c2)on1 ZINC000478719941 893991172 /nfs/dbraw/zinc/99/11/72/893991172.db2.gz JWAOXPHYRJNHIO-UHFFFAOYSA-N 0 0 403.394 4.342 20 5 HIBDRN CCn1c(SCc2ccc(-n3ccnc3)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000478721375 893993490 /nfs/dbraw/zinc/99/34/90/893993490.db2.gz SXGCAPZUMKGWTD-UHFFFAOYSA-N 0 0 406.471 4.351 20 5 HIBDRN CCOc1cc(OCC(=O)N[C@@H](C)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000478729722 894003986 /nfs/dbraw/zinc/00/39/86/894003986.db2.gz DCIBBGNEZPDJCE-LBPRGKRZSA-N 0 0 423.263 4.012 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3c(C)cc(N(C)C)cc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000505117244 913826531 /nfs/dbraw/zinc/82/65/31/913826531.db2.gz LPIKUXXCLQQDLL-UHFFFAOYSA-N 0 0 421.501 4.392 20 5 HIBDRN Cc1csc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1Cl ZINC000478740345 894015710 /nfs/dbraw/zinc/01/57/10/894015710.db2.gz SPFABGFSILEGNX-UHFFFAOYSA-N 0 0 407.801 4.479 20 5 HIBDRN COc1cc(CSc2nnc(Cc3ccccc3)[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000478741926 894018294 /nfs/dbraw/zinc/01/82/94/894018294.db2.gz VZENCCGXXKLBQR-UHFFFAOYSA-N 0 0 422.413 4.206 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc(C3CCCCC3)nn2C)c([N+](=O)[O-])cc1OC ZINC000478760226 894037258 /nfs/dbraw/zinc/03/72/58/894037258.db2.gz JKBZQVWUJUGRGN-UHFFFAOYSA-N 0 0 402.451 4.036 20 5 HIBDRN COc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc1[N+](=O)[O-] ZINC000478785196 894060902 /nfs/dbraw/zinc/06/09/02/894060902.db2.gz DIYYOSLUJOFEPJ-UHFFFAOYSA-N 0 0 408.798 4.167 20 5 HIBDRN CCO[C@@H]1C[C@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000478809680 894083475 /nfs/dbraw/zinc/08/34/75/894083475.db2.gz CPQMTCBSVMVWPC-DLBZAZTESA-N 0 0 401.488 4.138 20 5 HIBDRN COc1ccccc1C[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000478866704 894145771 /nfs/dbraw/zinc/14/57/71/894145771.db2.gz CYAZNMVPQTWMIG-WMLDXEAASA-N 0 0 418.877 4.258 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000505148248 913842240 /nfs/dbraw/zinc/84/22/40/913842240.db2.gz GROSEMGCDZEZFE-UGSOOPFHSA-N 0 0 406.891 4.329 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000478895605 894176656 /nfs/dbraw/zinc/17/66/56/894176656.db2.gz IDQSATRHWSSRAN-UHFFFAOYSA-N 0 0 404.854 4.001 20 5 HIBDRN Cc1cccc(CC2(O)CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000478911623 894191701 /nfs/dbraw/zinc/19/17/01/894191701.db2.gz OGVZJSSNLUOHHJ-UHFFFAOYSA-N 0 0 403.866 4.158 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000478915440 894195322 /nfs/dbraw/zinc/19/53/22/894195322.db2.gz KSMILXLPDUAOAP-UHFFFAOYSA-N 0 0 406.442 4.275 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000478916016 894197959 /nfs/dbraw/zinc/19/79/59/894197959.db2.gz PTYPOBQGZVSEAO-UHFFFAOYSA-N 0 0 404.854 4.001 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Cl)cc2Br)cc([N+](=O)[O-])c1OC ZINC000478940471 894220944 /nfs/dbraw/zinc/22/09/44/894220944.db2.gz VFMDMBWBVGLSHF-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN O=C(Nc1nc2c(ccc3c2CCCC3)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000505158026 913849104 /nfs/dbraw/zinc/84/91/04/913849104.db2.gz FWXJITJBEHCYQO-UHFFFAOYSA-N 0 0 411.439 4.107 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000479016745 894282969 /nfs/dbraw/zinc/28/29/69/894282969.db2.gz WQKGUFNNBIVOHE-UHFFFAOYSA-N 0 0 401.488 4.001 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000479027810 894291696 /nfs/dbraw/zinc/29/16/96/894291696.db2.gz ZXQZHHWPXFSSAT-QGZVFWFLSA-N 0 0 403.504 4.257 20 5 HIBDRN CSCCCCCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000479032005 894295696 /nfs/dbraw/zinc/29/56/96/894295696.db2.gz HTDUIAIBOCRIJQ-UHFFFAOYSA-N 0 0 417.318 4.350 20 5 HIBDRN O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000505170233 913859187 /nfs/dbraw/zinc/85/91/87/913859187.db2.gz BHVCNNVSOQITBF-UHFFFAOYSA-N 0 0 422.828 4.098 20 5 HIBDRN COc1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)cc([N+](=O)[O-])c1C ZINC000479077901 894343473 /nfs/dbraw/zinc/34/34/73/894343473.db2.gz MIJGJYDYKUGIJZ-UHFFFAOYSA-N 0 0 422.485 4.017 20 5 HIBDRN COc1cc(CN(C)Cc2nc(-c3ccccc3)c[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000479079946 894345953 /nfs/dbraw/zinc/34/59/53/894345953.db2.gz QTBSETPVZGZFBY-UHFFFAOYSA-N 0 0 418.400 4.227 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cc([N+](=O)[O-])c1C ZINC000479103190 894369442 /nfs/dbraw/zinc/36/94/42/894369442.db2.gz VHWZLHZKSFCFPD-NDEPHWFRSA-N 0 0 404.488 4.211 20 5 HIBDRN O=C(Nc1ccc(Oc2ccccn2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000505176830 913864060 /nfs/dbraw/zinc/86/40/60/913864060.db2.gz OGBJEPIDZZOZIZ-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCc1cccnc1Oc1cccc(F)c1 ZINC000479142175 894412601 /nfs/dbraw/zinc/41/26/01/894412601.db2.gz AMLOKERMZUNVCA-UHFFFAOYSA-N 0 0 413.430 4.330 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000479184701 894453083 /nfs/dbraw/zinc/45/30/83/894453083.db2.gz GKZBQNYSEKNQEB-UHFFFAOYSA-N 0 0 410.405 4.123 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1OCc1nc2cc(F)ccc2o1 ZINC000479194678 894461356 /nfs/dbraw/zinc/46/13/56/894461356.db2.gz VFFDODDHCFHQLO-UHFFFAOYSA-N 0 0 414.130 4.059 20 5 HIBDRN COCCN(Cc1sccc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000479205656 894470687 /nfs/dbraw/zinc/47/06/87/894470687.db2.gz NKHRYGLPACTFHL-UHFFFAOYSA-N 0 0 414.281 4.099 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000479211566 894475369 /nfs/dbraw/zinc/47/53/69/894475369.db2.gz CSBRTBWYURVUQK-UHFFFAOYSA-N 0 0 404.470 4.277 20 5 HIBDRN CCOc1cc(NC(=O)CSc2cccc(OC)c2)c([N+](=O)[O-])cc1OCC ZINC000479216244 894480346 /nfs/dbraw/zinc/48/03/46/894480346.db2.gz MTZJIUUQFKTRNZ-UHFFFAOYSA-N 0 0 406.460 4.132 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000479271082 894545039 /nfs/dbraw/zinc/54/50/39/894545039.db2.gz OPRBIKIWKKRHTO-KZULUSFZSA-N 0 0 424.881 4.468 20 5 HIBDRN O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000479279553 894557008 /nfs/dbraw/zinc/55/70/08/894557008.db2.gz HLJZKKLFBYUBNC-UHFFFAOYSA-N 0 0 411.849 4.286 20 5 HIBDRN Cc1ccc(F)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1Br ZINC000479282681 894561196 /nfs/dbraw/zinc/56/11/96/894561196.db2.gz MIPSCCAPQPYTDN-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000479288728 894569363 /nfs/dbraw/zinc/56/93/63/894569363.db2.gz VDUGQNXICQRZFA-UHFFFAOYSA-N 0 0 420.263 4.346 20 5 HIBDRN CC(=O)Nc1sc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)nc1-c1ccccc1 ZINC000479343710 894637965 /nfs/dbraw/zinc/63/79/65/894637965.db2.gz CQKQTMVSDIGDML-UHFFFAOYSA-N 0 0 421.438 4.410 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000505219683 913890468 /nfs/dbraw/zinc/89/04/68/913890468.db2.gz SVVSUKACDXQOPS-YHYVQYDKSA-N 0 0 412.486 4.485 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1OC ZINC000479371096 894671744 /nfs/dbraw/zinc/67/17/44/894671744.db2.gz FTLMZHJJDAEMPM-KRWDZBQOSA-N 0 0 400.406 4.117 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccccc2)cc1 ZINC000479382886 894684222 /nfs/dbraw/zinc/68/42/22/894684222.db2.gz WPHPQLNJDRROIL-UHFFFAOYSA-N 0 0 423.856 4.473 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cc(Br)cc1F ZINC000479432418 894747447 /nfs/dbraw/zinc/74/74/47/894747447.db2.gz YVOYDKANSRDSKV-UHFFFAOYSA-N 0 0 419.609 4.261 20 5 HIBDRN COc1ccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c(OC2CCCC2)c1 ZINC000479494877 894814560 /nfs/dbraw/zinc/81/45/60/894814560.db2.gz DVYXBPSVSVZEJD-UHFFFAOYSA-N 0 0 411.458 4.422 20 5 HIBDRN O=C(NCCc1nc(-c2ccncc2)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000479655839 894929282 /nfs/dbraw/zinc/92/92/82/894929282.db2.gz CKFJQAGNBBXHNK-UHFFFAOYSA-N 0 0 410.480 4.301 20 5 HIBDRN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000479703868 894997951 /nfs/dbraw/zinc/99/79/51/894997951.db2.gz JSLMFWXZXAJMMA-UHFFFAOYSA-N 0 0 401.354 4.125 20 5 HIBDRN CCc1ccc(C(=O)Nc2cc(Br)ccc2OCCOC)cc1[N+](=O)[O-] ZINC000479731678 895031418 /nfs/dbraw/zinc/03/14/18/895031418.db2.gz WHKKIFUHNILOLT-UHFFFAOYSA-N 0 0 423.263 4.197 20 5 HIBDRN CCc1nc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)no1 ZINC000479742359 895041005 /nfs/dbraw/zinc/04/10/05/895041005.db2.gz IOERMFMXFRFLSG-UHFFFAOYSA-N 0 0 420.784 4.055 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC2(CCOCC2)c2ccccc21 ZINC000479752766 895051340 /nfs/dbraw/zinc/05/13/40/895051340.db2.gz VTPXRVAABSXFFP-UHFFFAOYSA-N 0 0 415.877 4.069 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)cc1SC ZINC000479787800 895090873 /nfs/dbraw/zinc/09/08/73/895090873.db2.gz MNWBHWAQXLJWMW-ZMZPIMSZSA-N 0 0 424.906 4.485 20 5 HIBDRN Cc1c(NC(=O)N(C)C)cccc1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000479832095 895154553 /nfs/dbraw/zinc/15/45/53/895154553.db2.gz SNOZOUKTDARNDI-ZDUSSCGKSA-N 0 0 410.434 4.220 20 5 HIBDRN O=C(Nc1cccc(COCc2ccco2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479855778 895188740 /nfs/dbraw/zinc/18/87/40/895188740.db2.gz IPXHLDIVPTYUKI-UHFFFAOYSA-N 0 0 418.409 4.343 20 5 HIBDRN O=C(CN[C@@H](c1nccs1)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479858792 895193705 /nfs/dbraw/zinc/19/37/05/895193705.db2.gz DIAIUUGHHQNDLE-QGZVFWFLSA-N 0 0 402.863 4.022 20 5 HIBDRN CC(C)CCn1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000479907304 895254280 /nfs/dbraw/zinc/25/42/80/895254280.db2.gz BTVULZFBXJHZIH-GFCCVEGCSA-N 0 0 413.400 4.295 20 5 HIBDRN COc1cc(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc([N+](=O)[O-])c1C ZINC000479930789 895279955 /nfs/dbraw/zinc/27/99/55/895279955.db2.gz OEPWGMDSEYCQAV-UHFFFAOYSA-N 0 0 411.389 4.168 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000479957431 895309491 /nfs/dbraw/zinc/30/94/91/895309491.db2.gz BJFFANQVXHFRDZ-UHFFFAOYSA-N 0 0 416.459 4.059 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000505298741 913957152 /nfs/dbraw/zinc/95/71/52/913957152.db2.gz CPXBYAGEVGDUSE-UHFFFAOYSA-N 0 0 404.728 4.207 20 5 HIBDRN Cn1cc(-c2ncc(/C=C\c3nc4cc([N+](=O)[O-])ccc4n3-c3ccccc3)cn2)cn1 ZINC000480023755 895372511 /nfs/dbraw/zinc/37/25/11/895372511.db2.gz RWBISYKQQAPDRW-YFHOEESVSA-N 0 0 423.436 4.295 20 5 HIBDRN Cc1c(CNC(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000480067629 895418688 /nfs/dbraw/zinc/41/86/88/895418688.db2.gz MVJNGXMUQWEZNX-UYAOXDASSA-N 0 0 401.438 4.104 20 5 HIBDRN CCC(=O)c1ccc(NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)c([N+](=O)[O-])c1 ZINC000480071200 895422204 /nfs/dbraw/zinc/42/22/04/895422204.db2.gz QBEMDJNSYHFPCS-HNNXBMFYSA-N 0 0 413.474 4.143 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)Nc1ccccc1 ZINC000480179047 895571774 /nfs/dbraw/zinc/57/17/74/895571774.db2.gz NKTMIECAHQWQIK-HNNXBMFYSA-N 0 0 405.410 4.144 20 5 HIBDRN COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2nccn2C)c1 ZINC000480333428 895737213 /nfs/dbraw/zinc/73/72/13/895737213.db2.gz IBHJOOJTUONOQF-QVKFZJNVSA-N 0 0 410.474 4.094 20 5 HIBDRN CCS[C@H](C)c1noc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1 ZINC000480392946 895799984 /nfs/dbraw/zinc/79/99/84/895799984.db2.gz KVYQXGMFSKLLAO-LLVKDONJSA-N 0 0 424.504 4.023 20 5 HIBDRN COC(=O)c1csc(-c2cccc(CNCc3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000480462070 895846001 /nfs/dbraw/zinc/84/60/01/895846001.db2.gz PUFLCANSDRNWGZ-UHFFFAOYSA-N 0 0 417.874 4.448 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000480494755 895866176 /nfs/dbraw/zinc/86/61/76/895866176.db2.gz JHKGJMSYHMRROH-UHFFFAOYSA-N 0 0 410.499 4.459 20 5 HIBDRN COc1ccc(CNC(=O)CCCc2ccccc2Br)cc1[N+](=O)[O-] ZINC000480566847 895928084 /nfs/dbraw/zinc/92/80/84/895928084.db2.gz ZFVGPCCLUNEENT-UHFFFAOYSA-N 0 0 407.264 4.005 20 5 HIBDRN COC(=O)c1nc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)sc1C ZINC000480578968 895938581 /nfs/dbraw/zinc/93/85/81/895938581.db2.gz JCXVCLGVKSFXKI-GFCCVEGCSA-N 0 0 413.402 4.089 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c1C ZINC000480584997 895946254 /nfs/dbraw/zinc/94/62/54/895946254.db2.gz TUVMUQJXQWGODT-XLIONFOSSA-N 0 0 402.422 4.043 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)c1[N+](=O)[O-] ZINC000480679069 896041329 /nfs/dbraw/zinc/04/13/29/896041329.db2.gz IKKPTLVJKJESQF-OAHLLOKOSA-N 0 0 422.507 4.024 20 5 HIBDRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000480689455 896050981 /nfs/dbraw/zinc/05/09/81/896050981.db2.gz MZHMHJGTFWWNGQ-GFCCVEGCSA-N 0 0 409.255 4.034 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000480775526 896140486 /nfs/dbraw/zinc/14/04/86/896140486.db2.gz YIYHNOTZYAWXKG-UHFFFAOYSA-N 0 0 402.394 4.047 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000480775052 896141082 /nfs/dbraw/zinc/14/10/82/896141082.db2.gz IWSZMNYMLSLREE-MRXNPFEDSA-N 0 0 422.890 4.240 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(c3cccc(Cl)c3)CC2)s1 ZINC000480775821 896141116 /nfs/dbraw/zinc/14/11/16/896141116.db2.gz QOVLHBCUYDMUBD-UHFFFAOYSA-N 0 0 400.909 4.097 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000480845094 896216821 /nfs/dbraw/zinc/21/68/21/896216821.db2.gz XJEJQNUKUPDLNS-LBPRGKRZSA-N 0 0 421.316 4.423 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1C ZINC000480935649 896286108 /nfs/dbraw/zinc/28/61/08/896286108.db2.gz ZWYJWMOCTGGICM-ZDUSSCGKSA-N 0 0 405.501 4.203 20 5 HIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2cc(Br)ccc2C1 ZINC000480954304 896296018 /nfs/dbraw/zinc/29/60/18/896296018.db2.gz QKGGEEUMMKQJQA-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN CC[C@@H](NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000481025380 896354729 /nfs/dbraw/zinc/35/47/29/896354729.db2.gz PWEAHTRRWYSRJC-SNVBAGLBSA-N 0 0 423.438 4.117 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](O)Cc1ccccc1 ZINC000481147930 896477474 /nfs/dbraw/zinc/47/74/74/896477474.db2.gz VIQWJWLQHAJXHZ-GOSISDBHSA-N 0 0 402.516 4.163 20 5 HIBDRN C[C@](O)(CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CCCCC1 ZINC000481315889 896667237 /nfs/dbraw/zinc/66/72/37/896667237.db2.gz ZEEBPOVMQJUQOI-QHCPKHFHSA-N 0 0 414.452 4.021 20 5 HIBDRN COC(=O)[C@@H](C)N(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CCC1 ZINC000481319769 896672811 /nfs/dbraw/zinc/67/28/11/896672811.db2.gz GTOULNLZBDPRND-CQSZACIVSA-N 0 0 414.483 4.302 20 5 HIBDRN CCn1c(S[C@@H](C)C(=O)NC2CCC(C)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481347319 896718425 /nfs/dbraw/zinc/71/84/25/896718425.db2.gz XPJARIJXEPMFBF-BBBYJDLNSA-N 0 0 417.535 4.049 20 5 HIBDRN CCn1c(SCCCOc2ccc(OC)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481347481 896720848 /nfs/dbraw/zinc/72/08/48/896720848.db2.gz OKCRDYQABAVLQF-UHFFFAOYSA-N 0 0 414.487 4.443 20 5 HIBDRN O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000505434093 914099082 /nfs/dbraw/zinc/09/90/82/914099082.db2.gz UTRGRRGSDZADIP-UHFFFAOYSA-N 0 0 417.368 4.499 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000481420623 896822984 /nfs/dbraw/zinc/82/29/84/896822984.db2.gz BRPSEBKHHNMMRC-UHFFFAOYSA-N 0 0 417.878 4.473 20 5 HIBDRN Cc1c(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cccc1[N+](=O)[O-] ZINC000481467000 896858837 /nfs/dbraw/zinc/85/88/37/896858837.db2.gz RVKDXZFORGDPBA-UHFFFAOYSA-N 0 0 421.791 4.005 20 5 HIBDRN Cc1ccc(OCCC(=O)NCc2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000481468802 896859930 /nfs/dbraw/zinc/85/99/30/896859930.db2.gz TZHAJIJHOADXRI-UHFFFAOYSA-N 0 0 407.264 4.059 20 5 HIBDRN Cc1c(CNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cccc1[N+](=O)[O-] ZINC000481477392 896863084 /nfs/dbraw/zinc/86/30/84/896863084.db2.gz WHZNFWIJYHENAG-UHFFFAOYSA-N 0 0 419.441 4.419 20 5 HIBDRN Cc1c(CNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cccc1[N+](=O)[O-] ZINC000481492351 896871039 /nfs/dbraw/zinc/87/10/39/896871039.db2.gz NEVZHKYEWZKQSA-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000481541602 896899985 /nfs/dbraw/zinc/89/99/85/896899985.db2.gz GRPKWASWDPCTAI-UHFFFAOYSA-N 0 0 415.515 4.343 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000481545916 896908015 /nfs/dbraw/zinc/90/80/15/896908015.db2.gz RUSJYFXKQLAYJM-KPZWWZAWSA-N 0 0 402.838 4.164 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)c1 ZINC000481648190 897033042 /nfs/dbraw/zinc/03/30/42/897033042.db2.gz XBBLEIVIQTXYQC-UHFFFAOYSA-N 0 0 408.241 4.364 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(Oc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000481693907 897079032 /nfs/dbraw/zinc/07/90/32/897079032.db2.gz IXUWFGRCLDYZFM-UHFFFAOYSA-N 0 0 417.418 4.055 20 5 HIBDRN COc1cc(OC[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000481715090 897106070 /nfs/dbraw/zinc/10/60/70/897106070.db2.gz WLOQCPIVSMVNKX-CYFREDJKSA-N 0 0 423.465 4.458 20 5 HIBDRN Cc1nc(-c2ccccc2C)sc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000481798081 897175714 /nfs/dbraw/zinc/17/57/14/897175714.db2.gz USSXLVKFZKCQBH-HNNXBMFYSA-N 0 0 423.498 4.057 20 5 HIBDRN CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ncc(C)cc1[N+](=O)[O-] ZINC000481833118 897200984 /nfs/dbraw/zinc/20/09/84/897200984.db2.gz BAUJFTJJCFKWOU-UHFFFAOYSA-N 0 0 405.867 4.293 20 5 HIBDRN COc1ccc(-n2c(Sc3ncc(C)cc3[N+](=O)[O-])nnc2-c2ccco2)cc1 ZINC000481838488 897206050 /nfs/dbraw/zinc/20/60/50/897206050.db2.gz QZJIPYPQZSAOHL-UHFFFAOYSA-N 0 0 409.427 4.299 20 5 HIBDRN Cc1nc(Sc2nnc(COc3ccccc3)n2Cc2ccco2)ccc1[N+](=O)[O-] ZINC000481846172 897211991 /nfs/dbraw/zinc/21/19/91/897211991.db2.gz XBNDMUCUFDXIQT-UHFFFAOYSA-N 0 0 423.454 4.261 20 5 HIBDRN COc1ccc(OC)c(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 ZINC000481879435 897252111 /nfs/dbraw/zinc/25/21/11/897252111.db2.gz ABUXOFVBMYXTFC-UHFFFAOYSA-N 0 0 404.488 4.290 20 5 HIBDRN CCC(CC)c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)s1 ZINC000481881547 897253461 /nfs/dbraw/zinc/25/34/61/897253461.db2.gz RUFLMZVQQZHKCC-UHFFFAOYSA-N 0 0 410.521 4.341 20 5 HIBDRN CCC(=O)Nc1ccc(C)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000481909009 897292432 /nfs/dbraw/zinc/29/24/32/897292432.db2.gz WJMQNXKFGPCHTL-UHFFFAOYSA-N 0 0 413.477 4.450 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1NC(=O)C(C)(C)C ZINC000481944662 897330997 /nfs/dbraw/zinc/33/09/97/897330997.db2.gz HPYKCDJAQUCCEQ-UHFFFAOYSA-N 0 0 419.503 4.305 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000481951095 897339085 /nfs/dbraw/zinc/33/90/85/897339085.db2.gz GPKHLDZGESKMCO-UHFFFAOYSA-N 0 0 401.488 4.441 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000481957906 897347570 /nfs/dbraw/zinc/34/75/70/897347570.db2.gz RAOLSABTBWPSHS-ZDUSSCGKSA-N 0 0 405.501 4.203 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000505475272 914151539 /nfs/dbraw/zinc/15/15/39/914151539.db2.gz ACPWMYAAMSKECO-GMAHTHKFSA-N 0 0 404.470 4.159 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1 ZINC000481972786 897364789 /nfs/dbraw/zinc/36/47/89/897364789.db2.gz IBACYZYETFUKDQ-UHFFFAOYSA-N 0 0 422.441 4.297 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2-c2ccccc2C)cc1SC ZINC000481973817 897365547 /nfs/dbraw/zinc/36/55/47/897365547.db2.gz LVDKNTHBZIZPBU-UHFFFAOYSA-N 0 0 412.471 4.380 20 5 HIBDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000481973797 897366137 /nfs/dbraw/zinc/36/61/37/897366137.db2.gz LOXMIVPORDFNCR-UHFFFAOYSA-N 0 0 408.458 4.104 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000482030959 897441560 /nfs/dbraw/zinc/44/15/60/897441560.db2.gz IFXSYJWTTZZSSF-UHFFFAOYSA-N 0 0 410.232 4.423 20 5 HIBDRN COc1cc(Cl)c(Cl)cc1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000482046940 897469218 /nfs/dbraw/zinc/46/92/18/897469218.db2.gz LNLBIERQSALRHH-UHFFFAOYSA-N 0 0 422.228 4.052 20 5 HIBDRN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCc1c(F)cc([N+](=O)[O-])cc1F ZINC000505481683 914162899 /nfs/dbraw/zinc/16/28/99/914162899.db2.gz SRVKJMKGFBPFIK-LLVKDONJSA-N 0 0 421.425 4.083 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2cccs2)CC1 ZINC000505481781 914163047 /nfs/dbraw/zinc/16/30/47/914163047.db2.gz WNNHLZYDXFOAGZ-UHFFFAOYSA-N 0 0 405.545 4.116 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000482057214 897484507 /nfs/dbraw/zinc/48/45/07/897484507.db2.gz XDFCWXQNDGOAMO-OAHLLOKOSA-N 0 0 420.453 4.274 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ncccc1OCC(F)F ZINC000482139148 897597298 /nfs/dbraw/zinc/59/72/98/897597298.db2.gz ZEQGCWUKKUBUHM-UHFFFAOYSA-N 0 0 406.370 4.010 20 5 HIBDRN CO[C@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 ZINC000482184408 897654401 /nfs/dbraw/zinc/65/44/01/897654401.db2.gz QVMDWWKJJKGNTH-ZDUSSCGKSA-N 0 0 415.496 4.217 20 5 HIBDRN CCNc1ccc(C(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)cc1[N+](=O)[O-] ZINC000512382234 921119500 /nfs/dbraw/zinc/11/95/00/921119500.db2.gz CZOMKJUDTZLMDT-CQSZACIVSA-N 0 0 401.463 4.313 20 5 HIBDRN CO[C@H]1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC000482195125 897669226 /nfs/dbraw/zinc/66/92/26/897669226.db2.gz ZUCAWWARLXZPBL-QIPRVMPFSA-N 0 0 423.494 4.383 20 5 HIBDRN CCOc1cc(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000482205852 897685244 /nfs/dbraw/zinc/68/52/44/897685244.db2.gz GGJCRQCVWBXMCH-YPMHNXCESA-N 0 0 404.385 4.101 20 5 HIBDRN Cn1cc(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482211663 897691666 /nfs/dbraw/zinc/69/16/66/897691666.db2.gz MUOQKDWZHHYEDC-BBRMVZONSA-N 0 0 410.396 4.094 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000482225948 897704511 /nfs/dbraw/zinc/70/45/11/897704511.db2.gz NALFJLBFBGNBBL-KBPBESRZSA-N 0 0 420.453 4.322 20 5 HIBDRN CCS[C@H]1CCC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000482227599 897708132 /nfs/dbraw/zinc/70/81/32/897708132.db2.gz GQFFTXLPLSNUHX-AAEUAGOBSA-N 0 0 406.426 4.330 20 5 HIBDRN CCS[C@H]1CCC[C@H](NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 ZINC000482257490 897740797 /nfs/dbraw/zinc/74/07/97/897740797.db2.gz DAFSWDXNFJMUJK-OALUTQOASA-N 0 0 416.547 4.251 20 5 HIBDRN O=C(NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1cc2ccccc2c2cccnc12 ZINC000482310618 897808064 /nfs/dbraw/zinc/80/80/64/897808064.db2.gz KBGJHGCEYKEMAX-INIZCTEOSA-N 0 0 406.432 4.247 20 5 HIBDRN COc1ccc2nc(NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])sc2c1 ZINC000482356649 897871491 /nfs/dbraw/zinc/87/14/91/897871491.db2.gz LZCHBNNLNYYOAG-UHFFFAOYSA-N 0 0 405.457 4.196 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000505519014 914210086 /nfs/dbraw/zinc/21/00/86/914210086.db2.gz HZNZYLFRVDAGON-CQSZACIVSA-N 0 0 406.529 4.240 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000482470467 898045105 /nfs/dbraw/zinc/04/51/05/898045105.db2.gz NAYAKBCZDUFPAE-IBGZPJMESA-N 0 0 417.259 4.019 20 5 HIBDRN Cc1cc(Br)c(O)c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000482531788 898119535 /nfs/dbraw/zinc/11/95/35/898119535.db2.gz JMOFXXNSAOCCOC-UHFFFAOYSA-N 0 0 404.220 4.034 20 5 HIBDRN O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccc(N5CCCC5)cc4)no3)n2)cc1 ZINC000482556139 898147166 /nfs/dbraw/zinc/14/71/66/898147166.db2.gz HPXDQOGDJLIJEB-UHFFFAOYSA-N 0 0 402.414 4.098 20 5 HIBDRN C[C@@](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])(C1CC1)C(F)(F)F ZINC000482560177 898152565 /nfs/dbraw/zinc/15/25/65/898152565.db2.gz BWTALGLLKKGJLL-CQSZACIVSA-N 0 0 413.318 4.263 20 5 HIBDRN CCCCCn1nc(C)cc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000482592737 898192948 /nfs/dbraw/zinc/19/29/48/898192948.db2.gz 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CCOC(=O)c1csc([C@H]2CCCN2C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000483400080 899033733 /nfs/dbraw/zinc/03/37/33/899033733.db2.gz CNNZFXMPYSPOGA-RXEWJAMOSA-N 0 0 401.488 4.468 20 5 HIBDRN COCCN(Cc1sccc1Br)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000483418199 899047569 /nfs/dbraw/zinc/04/75/69/899047569.db2.gz GBDMHZVYAJHXDV-UHFFFAOYSA-N 0 0 415.309 4.076 20 5 HIBDRN CC(C)N(Cc1nnc(C(=O)Nc2ccccc2)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000505604085 914309032 /nfs/dbraw/zinc/30/90/32/914309032.db2.gz FFVVDRRTXCTBNY-UHFFFAOYSA-N 0 0 411.487 4.109 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000483460313 899099390 /nfs/dbraw/zinc/09/93/90/899099390.db2.gz QECJCIMWNNKHJN-UHFFFAOYSA-N 0 0 405.389 4.271 20 5 HIBDRN COc1cc(CCNC(=O)N[C@H](c2ccccc2C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000483499775 899158943 /nfs/dbraw/zinc/15/89/43/899158943.db2.gz GEBFFXCBRSEODK-NRFANRHFSA-N 0 0 415.490 4.159 20 5 HIBDRN COc1cc(CCNC(=O)N[C@@H](c2ccccc2C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000483499776 899159153 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ZINC000484145361 899764996 /nfs/dbraw/zinc/76/49/96/899764996.db2.gz RQINXSMXRUEOSB-MRXNPFEDSA-N 0 0 408.433 4.330 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000484209376 899814953 /nfs/dbraw/zinc/81/49/53/899814953.db2.gz IQFBGEVXOUPJKO-NRFANRHFSA-N 0 0 420.412 4.442 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000484226553 899822759 /nfs/dbraw/zinc/82/27/59/899822759.db2.gz ZQBNUYZIAZNBIA-CYBMUJFWSA-N 0 0 406.845 4.405 20 5 HIBDRN CCS[C@H]1CCC[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000484255366 899835957 /nfs/dbraw/zinc/83/59/57/899835957.db2.gz JVSUCTJSVUVMMB-BEFAXECRSA-N 0 0 407.536 4.212 20 5 HIBDRN Cc1c(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cccc1[N+](=O)[O-] ZINC000484344552 899894219 /nfs/dbraw/zinc/89/42/19/899894219.db2.gz NTKYZKCTPLUBPC-UHFFFAOYSA-N 0 0 408.462 4.103 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN(C2CC2)c2ccc(F)cc21 ZINC000484396903 899924590 /nfs/dbraw/zinc/92/45/90/899924590.db2.gz MGFHFLFCNRFNJJ-UHFFFAOYSA-N 0 0 420.238 4.126 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000484397344 899924950 /nfs/dbraw/zinc/92/49/50/899924950.db2.gz NWFMHWDOUIHFSQ-UHFFFAOYSA-N 0 0 412.414 4.247 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000484436519 899944021 /nfs/dbraw/zinc/94/40/21/899944021.db2.gz HXRXRZVEZAJXFE-MRXNPFEDSA-N 0 0 408.433 4.330 20 5 HIBDRN Cc1c(CNC(=O)Nc2cccc3c2CN(c2nccs2)C3)cccc1[N+](=O)[O-] ZINC000484467430 899961341 /nfs/dbraw/zinc/96/13/41/899961341.db2.gz OHPVIKHNHFCIAM-UHFFFAOYSA-N 0 0 409.471 4.202 20 5 HIBDRN Cn1c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1-c1ccccc1Cl ZINC000484480928 899973149 /nfs/dbraw/zinc/97/31/49/899973149.db2.gz BGGXAALANHJGGD-UHFFFAOYSA-N 0 0 400.851 4.212 20 5 HIBDRN CCCCc1c(C)nc2nc(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)nn2c1C ZINC000484481325 899973253 /nfs/dbraw/zinc/97/32/53/899973253.db2.gz DLBXMLIXKSVJEH-UHFFFAOYSA-N 0 0 411.491 4.161 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC2(Cc3cccc(F)c3)CCC2)cc1SC ZINC000484501875 899992234 /nfs/dbraw/zinc/99/22/34/899992234.db2.gz FAWPFQLJXITOPC-UHFFFAOYSA-N 0 0 404.463 4.360 20 5 HIBDRN O=C(NCc1ccccc1Br)c1ccc(Br)cc1[N+](=O)[O-] ZINC000484519791 900008902 /nfs/dbraw/zinc/00/89/02/900008902.db2.gz RDLRJZKXSIQXRN-UHFFFAOYSA-N 0 0 414.053 4.050 20 5 HIBDRN COc1cc(Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1[N+](=O)[O-] ZINC000484544094 900026337 /nfs/dbraw/zinc/02/63/37/900026337.db2.gz QRQANVDNJWFNNM-UHFFFAOYSA-N 0 0 407.451 4.399 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000484574217 900042489 /nfs/dbraw/zinc/04/24/89/900042489.db2.gz LJGWBUPIUNTJAH-UHFFFAOYSA-N 0 0 423.391 4.131 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)ccc1[N+](=O)[O-] ZINC000484589550 900053155 /nfs/dbraw/zinc/05/31/55/900053155.db2.gz YYEGEEFOGSNMQB-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000484600417 900061343 /nfs/dbraw/zinc/06/13/43/900061343.db2.gz CSDNLXAJHFKLLE-RISCZKNCSA-N 0 0 406.426 4.136 20 5 HIBDRN COC(=O)[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000484673794 900115059 /nfs/dbraw/zinc/11/50/59/900115059.db2.gz ADQSZCIAZHCNMR-LLVKDONJSA-N 0 0 408.863 4.033 20 5 HIBDRN CCOc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] ZINC000484715764 900147802 /nfs/dbraw/zinc/14/78/02/900147802.db2.gz ODSAFWYCASDPJS-UHFFFAOYSA-N 0 0 404.835 4.418 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(Nc2ccc3ncccc3c2[N+](=O)[O-])c1)n1cccn1 ZINC000484803076 900207797 /nfs/dbraw/zinc/20/77/97/900207797.db2.gz CNKXDNFUUOSKNA-CQSZACIVSA-N 0 0 402.414 4.283 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000484852992 900246840 /nfs/dbraw/zinc/24/68/40/900246840.db2.gz CSTFYPUMENXFQZ-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000484868627 900257141 /nfs/dbraw/zinc/25/71/41/900257141.db2.gz UNRCGVWGZAVDIU-FGZHOGPDSA-N 0 0 422.481 4.348 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000484874248 900262042 /nfs/dbraw/zinc/26/20/42/900262042.db2.gz NXVYWBPGRHKIBM-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN COc1cc(CCNC(=O)C[C@@H](c2ccccc2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000484882425 900268832 /nfs/dbraw/zinc/26/88/32/900268832.db2.gz SJKIWHQLNUUMDD-GOSISDBHSA-N 0 0 400.475 4.101 20 5 HIBDRN COc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Cl ZINC000484900393 900280707 /nfs/dbraw/zinc/28/07/07/900280707.db2.gz OCGDBRSNLKLBOB-UHFFFAOYSA-N 0 0 406.869 4.133 20 5 HIBDRN CCOC(=O)c1csc([C@@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2OC(C)C)n1 ZINC000484910392 900287918 /nfs/dbraw/zinc/28/79/18/900287918.db2.gz MVZBQXNYYUPLOA-KRWDZBQOSA-N 0 0 419.503 4.352 20 5 HIBDRN COc1ccccc1N(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000484914930 900292617 /nfs/dbraw/zinc/29/26/17/900292617.db2.gz ZOPOPGMGWLUQLB-UHFFFAOYSA-N 0 0 404.488 4.287 20 5 HIBDRN CCc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)cs1 ZINC000484937042 900308500 /nfs/dbraw/zinc/30/85/00/900308500.db2.gz SWQMFZJYJDLIHR-UHFFFAOYSA-N 0 0 404.536 4.113 20 5 HIBDRN CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000505766481 914434396 /nfs/dbraw/zinc/43/43/96/914434396.db2.gz NWJYGIFKEKDAEO-UHFFFAOYSA-N 0 0 421.482 4.389 20 5 HIBDRN COc1ccc2c(c1NC(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)CCC2 ZINC000485010365 900360778 /nfs/dbraw/zinc/36/07/78/900360778.db2.gz GHANRFIYHFWGBR-UHFFFAOYSA-N 0 0 411.458 4.167 20 5 HIBDRN CC1(C)CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@](C)(C(F)(F)F)O1 ZINC000505769241 914437328 /nfs/dbraw/zinc/43/73/28/914437328.db2.gz PPAXEHRHDBGEFW-LJQANCHMSA-N 0 0 423.391 4.229 20 5 HIBDRN C[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000485038592 900376508 /nfs/dbraw/zinc/37/65/08/900376508.db2.gz YWGBHFXKPXQVSS-OLZOCXBDSA-N 0 0 419.528 4.298 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000485066605 900390669 /nfs/dbraw/zinc/39/06/69/900390669.db2.gz ZIQRKFCYDKNENE-KGLIPLIRSA-N 0 0 420.453 4.416 20 5 HIBDRN O=[N+]([O-])c1c(Nc2cccc(C[S@@](=O)C3CCOCC3)c2)ccc2ncccc21 ZINC000485127909 900431578 /nfs/dbraw/zinc/43/15/78/900431578.db2.gz WLANZOOXFPYZFN-GDLZYMKVSA-N 0 0 411.483 4.314 20 5 HIBDRN CCc1c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cnn1C(CC)CC ZINC000485142027 900441042 /nfs/dbraw/zinc/44/10/42/900441042.db2.gz LZTHGIBNLSDDFG-UHFFFAOYSA-N 0 0 414.510 4.069 20 5 HIBDRN CCCC[C@H](C)N(C)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000485154965 900454629 /nfs/dbraw/zinc/45/46/29/900454629.db2.gz VRMRLNOSDSBHGQ-ZDUSSCGKSA-N 0 0 407.492 4.290 20 5 HIBDRN CN(Cc1cc(Br)cs1)c1ncc([N+](=O)[O-])cc1Br ZINC000485199480 900492509 /nfs/dbraw/zinc/49/25/09/900492509.db2.gz ZJRHCLHTRXHILJ-UHFFFAOYSA-N 0 0 407.087 4.213 20 5 HIBDRN Cc1cccn2cc(-c3ccc(NC(=O)c4n[nH]c5ccc([N+](=O)[O-])cc54)cc3)nc12 ZINC000485219670 900507307 /nfs/dbraw/zinc/50/73/07/900507307.db2.gz AOKBJIAIXZOBPL-UHFFFAOYSA-N 0 0 412.409 4.347 20 5 HIBDRN Cc1ccccc1C1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCOCC1 ZINC000485259514 900543552 /nfs/dbraw/zinc/54/35/52/900543552.db2.gz RZEYFGJONVFGDX-UHFFFAOYSA-N 0 0 423.513 4.326 20 5 HIBDRN CC(C)n1nccc1NC(=O)[C@@H](C)Sc1ccc(Br)cc1[N+](=O)[O-] ZINC000485264441 900547224 /nfs/dbraw/zinc/54/72/24/900547224.db2.gz HVWVKIGTJOWISO-SNVBAGLBSA-N 0 0 413.297 4.254 20 5 HIBDRN O=C(NC1CC1)[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000485275036 900553940 /nfs/dbraw/zinc/55/39/40/900553940.db2.gz MLZMUNCEBHEZPV-INIZCTEOSA-N 0 0 407.289 4.469 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Sc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000485275106 900554057 /nfs/dbraw/zinc/55/40/57/900554057.db2.gz MMSIHODBYFJSTO-JTQLQIEISA-N 0 0 411.277 4.485 20 5 HIBDRN CC(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000485285377 900563781 /nfs/dbraw/zinc/56/37/81/900563781.db2.gz LKWFVHBSUGRHKV-IUODEOHRSA-N 0 0 416.259 4.144 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CSc1ncnc2c1cnn2Cc1ccccc1 ZINC000485380407 900677113 /nfs/dbraw/zinc/67/71/13/900677113.db2.gz HKNSQNKYOYHSKK-UHFFFAOYSA-N 0 0 407.455 4.084 20 5 HIBDRN Cc1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cc1S(C)(=O)=O ZINC000485404981 900703954 /nfs/dbraw/zinc/70/39/54/900703954.db2.gz JTPHIQSUPIXTDV-UHFFFAOYSA-N 0 0 415.446 4.120 20 5 HIBDRN CN(C(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1)c1ccccc1 ZINC000485423086 900722365 /nfs/dbraw/zinc/72/23/65/900722365.db2.gz VUPLDMILCAHNOB-KRWDZBQOSA-N 0 0 420.444 4.285 20 5 HIBDRN O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485431190 900727982 /nfs/dbraw/zinc/72/79/82/900727982.db2.gz ADHRZGKCBSFTLI-JOCHJYFZSA-N 0 0 423.469 4.191 20 5 HIBDRN C[S@](=O)Cc1ccc(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000485484193 900776095 /nfs/dbraw/zinc/77/60/95/900776095.db2.gz ZUKWQRUBBMXCQE-NDEPHWFRSA-N 0 0 403.504 4.093 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485497919 900787116 /nfs/dbraw/zinc/78/71/16/900787116.db2.gz VUKZJANHOFIVRA-WBVHZDCISA-N 0 0 405.907 4.145 20 5 HIBDRN Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cnn1-c1ccccc1F ZINC000485502005 900791030 /nfs/dbraw/zinc/79/10/30/900791030.db2.gz HACNKAYESMUARD-UHFFFAOYSA-N 0 0 406.320 4.082 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)cc([N+](=O)[O-])c1C ZINC000485511514 900797231 /nfs/dbraw/zinc/79/72/31/900797231.db2.gz CEUUAMZYEOKFSR-UHFFFAOYSA-N 0 0 406.822 4.383 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1cccnc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000485510778 900797645 /nfs/dbraw/zinc/79/76/45/900797645.db2.gz UXRYKVDQUZYWET-QFIPXVFZSA-N 0 0 402.454 4.109 20 5 HIBDRN CN1CCCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])c2cc(F)ccc21 ZINC000485518482 900802807 /nfs/dbraw/zinc/80/28/07/900802807.db2.gz OUUJDLDENZJRMK-UHFFFAOYSA-N 0 0 414.256 4.045 20 5 HIBDRN CC(C)c1noc(Cc2ccc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2)n1 ZINC000485525567 900807521 /nfs/dbraw/zinc/80/75/21/900807521.db2.gz HHRZFKOUUJBVAI-UHFFFAOYSA-N 0 0 423.473 4.398 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000485551441 900825626 /nfs/dbraw/zinc/82/56/26/900825626.db2.gz UXXZNEGIIDDZFG-HNNXBMFYSA-N 0 0 404.426 4.042 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000485576745 900844216 /nfs/dbraw/zinc/84/42/16/900844216.db2.gz JFCVMSKCCUQZHN-GFCCVEGCSA-N 0 0 412.776 4.143 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccnc1OCc1ccccc1F ZINC000485578558 900845037 /nfs/dbraw/zinc/84/50/37/900845037.db2.gz MZDGTAJAXQWOOB-CQSZACIVSA-N 0 0 407.401 4.299 20 5 HIBDRN CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000485599988 900859730 /nfs/dbraw/zinc/85/97/30/900859730.db2.gz OGWLQBRSVGZEBL-UHFFFAOYSA-N 0 0 407.829 4.073 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1nc(C(F)(F)F)cs1 ZINC000485615886 900873570 /nfs/dbraw/zinc/87/35/70/900873570.db2.gz QGDYJBOBCRDOCM-UHFFFAOYSA-N 0 0 414.287 4.411 20 5 HIBDRN Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2N)nc1-c1ccc(OC(F)F)cc1 ZINC000485634125 900887787 /nfs/dbraw/zinc/88/77/87/900887787.db2.gz MTHNVIMQYNIHNI-UHFFFAOYSA-N 0 0 420.397 4.463 20 5 HIBDRN Cc1nc2ccccc2c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1C(C)C ZINC000485675662 900926608 /nfs/dbraw/zinc/92/66/08/900926608.db2.gz SXFHGSUGIKLZPM-UHFFFAOYSA-N 0 0 415.453 4.435 20 5 HIBDRN O=C(Nc1ccc(OC2COC2)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485678856 900931627 /nfs/dbraw/zinc/93/16/27/900931627.db2.gz BBZXGGNIQVUEPE-UHFFFAOYSA-N 0 0 420.421 4.204 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C12CCC2 ZINC000485720248 900968871 /nfs/dbraw/zinc/96/88/71/900968871.db2.gz VVNDLYRRKGYHFZ-LEWJYISDSA-N 0 0 410.470 4.251 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c1[N+](=O)[O-] ZINC000485757906 901014501 /nfs/dbraw/zinc/01/45/01/901014501.db2.gz JXVTXORNRRLTCR-UHFFFAOYSA-N 0 0 414.468 4.278 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(Sc3nccn3C)cc2)c1[N+](=O)[O-] ZINC000485758155 901016554 /nfs/dbraw/zinc/01/65/54/901016554.db2.gz VTRMXPVTBHISDM-UHFFFAOYSA-N 0 0 400.485 4.454 20 5 HIBDRN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000485772788 901028856 /nfs/dbraw/zinc/02/88/56/901028856.db2.gz VGOIZYRCAJTSLB-INIZCTEOSA-N 0 0 416.499 4.147 20 5 HIBDRN CC(C)(C)OC1CC(CC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000485794626 901047778 /nfs/dbraw/zinc/04/77/78/901047778.db2.gz PLLGRHSIHLKIIX-UHFFFAOYSA-N 0 0 417.428 4.126 20 5 HIBDRN CN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000485847782 901092728 /nfs/dbraw/zinc/09/27/28/901092728.db2.gz RKXOFPINQCPOKV-MRXNPFEDSA-N 0 0 403.866 4.111 20 5 HIBDRN CCc1nc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cs1 ZINC000485869647 901108580 /nfs/dbraw/zinc/10/85/80/901108580.db2.gz NTKXUOGGYRSMBX-UHFFFAOYSA-N 0 0 410.499 4.198 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000505860134 914507131 /nfs/dbraw/zinc/50/71/31/914507131.db2.gz HAXPDAJVSFBOEU-UHFFFAOYSA-N 0 0 415.343 4.429 20 5 HIBDRN CC[C@@](C)(NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000485906689 901135587 /nfs/dbraw/zinc/13/55/87/901135587.db2.gz LANIZBHDIJTERB-CYBMUJFWSA-N 0 0 404.311 4.239 20 5 HIBDRN O=C(NC1(c2cccc(Cl)c2)CC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000485927105 901152106 /nfs/dbraw/zinc/15/21/06/901152106.db2.gz PIDWCLRVEHEAQG-UHFFFAOYSA-N 0 0 401.669 4.491 20 5 HIBDRN CCS[C@H](C)c1noc(CN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000485966163 901182445 /nfs/dbraw/zinc/18/24/45/901182445.db2.gz OWXLWVNBKDUJKP-CYBMUJFWSA-N 0 0 417.491 4.121 20 5 HIBDRN COC(=O)c1cc(NC(=O)CCCCOc2cccc(C)c2)c(C)c([N+](=O)[O-])c1 ZINC000485973449 901191352 /nfs/dbraw/zinc/19/13/52/901191352.db2.gz BTABRHRHWMDQED-UHFFFAOYSA-N 0 0 400.431 4.186 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2ccc3nnc(-c4ccsc4)n3n2)cc(C(F)(F)F)c1 ZINC000486021512 901228729 /nfs/dbraw/zinc/22/87/29/901228729.db2.gz UTZRTKCAFSUZAQ-UHFFFAOYSA-N 0 0 420.376 4.392 20 5 HIBDRN COc1ccc([C@H](NCc2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2OC)cc1 ZINC000486025695 901231828 /nfs/dbraw/zinc/23/18/28/901231828.db2.gz BXLZEVWJMUNHQR-QHCPKHFHSA-N 0 0 408.454 4.500 20 5 HIBDRN O=c1c(Cl)c(/C=C/c2ccccc2[N+](=O)[O-])nc2ccc(Br)cn12 ZINC000486026350 901233003 /nfs/dbraw/zinc/23/30/03/901233003.db2.gz DRXZTBPOXPUUJL-FNORWQNLSA-N 0 0 406.623 4.189 20 5 HIBDRN COC[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000486026852 901233328 /nfs/dbraw/zinc/23/33/28/901233328.db2.gz IHDMLJAEDMPFTI-QGZVFWFLSA-N 0 0 414.849 4.012 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2ccc(Br)o2)o1 ZINC000486053388 901251463 /nfs/dbraw/zinc/25/14/63/901251463.db2.gz ROVDTBNCHQAUKX-UHFFFAOYSA-N 0 0 409.196 4.011 20 5 HIBDRN O=C(Nc1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1)c1ccco1 ZINC000486069259 901262132 /nfs/dbraw/zinc/26/21/32/901262132.db2.gz LUOWWHKASSMWMP-UHFFFAOYSA-N 0 0 405.410 4.245 20 5 HIBDRN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486094547 901282930 /nfs/dbraw/zinc/28/29/30/901282930.db2.gz URONCWSLXGRPIE-FJIJXJHWSA-N 0 0 414.461 4.490 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486097788 901285821 /nfs/dbraw/zinc/28/58/21/901285821.db2.gz QZQVRFZJMMSEBJ-UHFFFAOYSA-N 0 0 404.470 4.131 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)CCC2=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486109923 901296093 /nfs/dbraw/zinc/29/60/93/901296093.db2.gz LMVMGWFFQQOTAT-UHFFFAOYSA-N 0 0 415.652 4.453 20 5 HIBDRN Cn1ncc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1Cc1ccccc1 ZINC000486152364 901339436 /nfs/dbraw/zinc/33/94/36/901339436.db2.gz PQWMWERFOMLPDC-UHFFFAOYSA-N 0 0 404.348 4.190 20 5 HIBDRN COC1CCC(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000486159307 901346295 /nfs/dbraw/zinc/34/62/95/901346295.db2.gz ZWJLMHLJZYGZBE-UHFFFAOYSA-N 0 0 412.486 4.499 20 5 HIBDRN Cc1ccccc1CN(Cc1ccccn1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000486200684 901384675 /nfs/dbraw/zinc/38/46/75/901384675.db2.gz XQYZFSREZUJQOT-UHFFFAOYSA-N 0 0 405.454 4.296 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c2cc(C)ccc12 ZINC000486211833 901394532 /nfs/dbraw/zinc/39/45/32/901394532.db2.gz BFUIGRPYTNTEKO-UHFFFAOYSA-N 0 0 413.499 4.096 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000486219533 901401869 /nfs/dbraw/zinc/40/18/69/901401869.db2.gz UEIGHSVCXFZBKT-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN COC(=O)c1cc(NCc2nnc(-c3ccccc3Cl)o2)c(C)c([N+](=O)[O-])c1 ZINC000486225010 901408479 /nfs/dbraw/zinc/40/84/79/901408479.db2.gz KTXOMPWNTSFBPA-UHFFFAOYSA-N 0 0 402.794 4.005 20 5 HIBDRN CCOCCC1(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000486303690 901484236 /nfs/dbraw/zinc/48/42/36/901484236.db2.gz GLJDQQSMXGTTOT-UHFFFAOYSA-N 0 0 405.314 4.136 20 5 HIBDRN C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000486338577 901513353 /nfs/dbraw/zinc/51/33/53/901513353.db2.gz JKJUIYUEZMRLJD-HNNXBMFYSA-N 0 0 420.421 4.394 20 5 HIBDRN COc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1F ZINC000486364066 901533149 /nfs/dbraw/zinc/53/31/49/901533149.db2.gz IFQSSCAYFHFREZ-UHFFFAOYSA-N 0 0 410.401 4.252 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000486375526 901542174 /nfs/dbraw/zinc/54/21/74/901542174.db2.gz HNIYIWLHYCFCCB-UHFFFAOYSA-N 0 0 405.410 4.385 20 5 HIBDRN COc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1OC ZINC000486380880 901546095 /nfs/dbraw/zinc/54/60/95/901546095.db2.gz YIOVSONREZREKZ-UHFFFAOYSA-N 0 0 422.437 4.121 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000486400807 901563512 /nfs/dbraw/zinc/56/35/12/901563512.db2.gz CPVMAEWBIWVOFR-MRXNPFEDSA-N 0 0 416.499 4.113 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccccn1 ZINC000486404326 901566019 /nfs/dbraw/zinc/56/60/19/901566019.db2.gz HYAFZTHRNKWCCI-LJQANCHMSA-N 0 0 409.467 4.240 20 5 HIBDRN CSc1cccc(C(=O)Nc2nc3cc(Br)ccc3[nH]2)c1[N+](=O)[O-] ZINC000486432449 901591398 /nfs/dbraw/zinc/59/13/98/901591398.db2.gz IGSKYGVWFGPHAM-UHFFFAOYSA-N 0 0 407.249 4.208 20 5 HIBDRN CSc1cc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])ccn1 ZINC000486440683 901598719 /nfs/dbraw/zinc/59/87/19/901598719.db2.gz ZGGFAAYVUSYDLB-UHFFFAOYSA-N 0 0 409.467 4.221 20 5 HIBDRN COc1cc(F)cc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000486448214 901606993 /nfs/dbraw/zinc/60/69/93/901606993.db2.gz QOGRHBDGZSGCKT-UHFFFAOYSA-N 0 0 410.401 4.252 20 5 HIBDRN CN(Cc1c(F)cccc1Cl)C(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000486453416 901613871 /nfs/dbraw/zinc/61/38/71/901613871.db2.gz UMAUUJMPQWIWII-UHFFFAOYSA-N 0 0 417.771 4.059 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(F)c3)no2)nc1OCc1ccccc1 ZINC000486486815 901642453 /nfs/dbraw/zinc/64/24/53/901642453.db2.gz KGWXKUUPZROMLQ-UHFFFAOYSA-N 0 0 421.388 4.370 20 5 HIBDRN CC(C)COC[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000486502164 901654076 /nfs/dbraw/zinc/65/40/76/901654076.db2.gz FXISVSZOLKRONZ-MRXNPFEDSA-N 0 0 409.870 4.097 20 5 HIBDRN CCN(Cc1c(F)cccc1F)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000505915168 914559290 /nfs/dbraw/zinc/55/92/90/914559290.db2.gz JRRVTFQSDNUIMP-UHFFFAOYSA-N 0 0 418.318 4.476 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(C2CC2)c2cc(Cl)ccc21 ZINC000486624007 901758899 /nfs/dbraw/zinc/75/88/99/901758899.db2.gz CZEDWONVKMZPRM-UHFFFAOYSA-N 0 0 423.860 4.063 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1COc2ccc(Cl)cc21 ZINC000486705384 901804070 /nfs/dbraw/zinc/80/40/70/901804070.db2.gz USGNMUZFBJHZAS-CQSZACIVSA-N 0 0 400.740 4.059 20 5 HIBDRN Cc1oc(-c2ccco2)nc1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486707908 901805484 /nfs/dbraw/zinc/80/54/84/901805484.db2.gz XRBMVQMFBYGMBT-UHFFFAOYSA-N 0 0 409.320 4.029 20 5 HIBDRN COc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(OC(F)F)c1 ZINC000486716904 901810425 /nfs/dbraw/zinc/81/04/25/901810425.db2.gz LRSUXLPYUIEFGM-UHFFFAOYSA-N 0 0 420.290 4.154 20 5 HIBDRN Cc1nnc(Sc2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c(C)c2)s1 ZINC000505921439 914567776 /nfs/dbraw/zinc/56/77/76/914567776.db2.gz RQZZNGCXKNVWMZ-UHFFFAOYSA-N 0 0 416.484 4.232 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc([C@H]2CCCOC2)cc1 ZINC000486729798 901818198 /nfs/dbraw/zinc/81/81/98/901818198.db2.gz VRTNMXKSNMDFFR-INIZCTEOSA-N 0 0 408.376 4.438 20 5 HIBDRN Cc1nc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)oc1-c1ccc(Cl)cc1 ZINC000486730127 901818215 /nfs/dbraw/zinc/81/82/15/901818215.db2.gz MYURSYVLGAGORC-UHFFFAOYSA-N 0 0 421.787 4.349 20 5 HIBDRN CCOc1ccc(SCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000486740996 901824483 /nfs/dbraw/zinc/82/44/83/901824483.db2.gz XMEOZQVSNWVQJS-UHFFFAOYSA-N 0 0 414.405 4.421 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCc2ccncc2)C1 ZINC000486742653 901825636 /nfs/dbraw/zinc/82/56/36/901825636.db2.gz PNYGXSCQHZYLCK-GOSISDBHSA-N 0 0 415.515 4.169 20 5 HIBDRN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000486749238 901827855 /nfs/dbraw/zinc/82/78/55/901827855.db2.gz ZGKJZUJKRZHJJY-GTNSWQLSSA-N 0 0 421.375 4.138 20 5 HIBDRN O=C(Cc1cccc(Br)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486754071 901830498 /nfs/dbraw/zinc/83/04/98/901830498.db2.gz YWOFEICVCPKMJB-UHFFFAOYSA-N 0 0 417.181 4.235 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccn(-c2ccccc2)n1 ZINC000486769594 901842280 /nfs/dbraw/zinc/84/22/80/901842280.db2.gz FSUZDZGOCYVLBA-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000486798746 901860617 /nfs/dbraw/zinc/86/06/17/901860617.db2.gz SVCNVRNERPFESD-HNNXBMFYSA-N 0 0 403.479 4.245 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000486804864 901864258 /nfs/dbraw/zinc/86/42/58/901864258.db2.gz LSNUJZKWMZGERQ-NSHDSACASA-N 0 0 408.451 4.354 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000486822684 901876329 /nfs/dbraw/zinc/87/63/29/901876329.db2.gz VKZNPXJITSHXAT-SANMLTNESA-N 0 0 412.920 4.491 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000486828277 901880271 /nfs/dbraw/zinc/88/02/71/901880271.db2.gz UDVBMGMOMPGOIJ-CYBMUJFWSA-N 0 0 408.254 4.369 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c(C)c([N+](=O)[O-])c1 ZINC000486852044 901898412 /nfs/dbraw/zinc/89/84/12/901898412.db2.gz BZKAQVKXQNDVCH-CQSZACIVSA-N 0 0 415.446 4.360 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)c(C)c([N+](=O)[O-])c1 ZINC000486853933 901899565 /nfs/dbraw/zinc/89/95/65/901899565.db2.gz BTNNPRYTXITZCN-LLVKDONJSA-N 0 0 420.491 4.327 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(C)Cc2ccc(F)cc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000486854079 901899607 /nfs/dbraw/zinc/89/96/07/901899607.db2.gz BETNZEWUBTUWNC-UHFFFAOYSA-N 0 0 409.801 4.146 20 5 HIBDRN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000486855054 901901058 /nfs/dbraw/zinc/90/10/58/901901058.db2.gz DCDYSIIKHUIVTM-MRXNPFEDSA-N 0 0 414.483 4.161 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC(c3ccsc3)CC2)c(C)c([N+](=O)[O-])c1 ZINC000486870224 901915247 /nfs/dbraw/zinc/91/52/47/901915247.db2.gz VWTXVADDTMKIKP-UHFFFAOYSA-N 0 0 403.460 4.163 20 5 HIBDRN CCN(Cc1ccccc1Cl)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486882961 901929938 /nfs/dbraw/zinc/92/99/38/901929938.db2.gz PMWNIUZRGAXTQR-UHFFFAOYSA-N 0 0 405.838 4.397 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c(C)c([N+](=O)[O-])c1 ZINC000486902094 901946794 /nfs/dbraw/zinc/94/67/94/901946794.db2.gz WRNYMUROMBDTLO-NSHDSACASA-N 0 0 423.372 4.174 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000486943386 901980475 /nfs/dbraw/zinc/98/04/75/901980475.db2.gz WMIPEQJNQGQCRB-INIZCTEOSA-N 0 0 408.813 4.200 20 5 HIBDRN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000486992661 902007095 /nfs/dbraw/zinc/00/70/95/902007095.db2.gz AYWUIZJEDGZLIP-KRWDZBQOSA-N 0 0 420.469 4.089 20 5 HIBDRN O=C(CCCn1ccc2cc(Cl)ccc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487003070 902010128 /nfs/dbraw/zinc/01/01/28/902010128.db2.gz TURRVESKBVSNFY-UHFFFAOYSA-N 0 0 415.881 4.043 20 5 HIBDRN 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422.825 4.092 20 5 HIBDRN CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C)cc1 ZINC000488879541 903055295 /nfs/dbraw/zinc/05/52/95/903055295.db2.gz KLEFUNGVBUYVKE-UHFFFAOYSA-N 0 0 411.487 4.303 20 5 HIBDRN Cc1ncc(-c2ccccc2)cc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488924140 903078173 /nfs/dbraw/zinc/07/81/73/903078173.db2.gz XXINDZSWNJLCAD-UHFFFAOYSA-N 0 0 406.446 4.031 20 5 HIBDRN CN(C)c1nc2cc(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc2o1 ZINC000488940051 903088628 /nfs/dbraw/zinc/08/86/28/903088628.db2.gz WUSKNFBGGQKFAI-UHFFFAOYSA-N 0 0 423.351 4.143 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCS[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000488976144 903103209 /nfs/dbraw/zinc/10/32/09/903103209.db2.gz FJNWFJHIMJSJTH-QAPCUYQASA-N 0 0 410.561 4.080 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(OC(F)(F)F)c1 ZINC000489025994 903130333 /nfs/dbraw/zinc/13/03/33/903130333.db2.gz GYNMSCJIHJPOAX-UHFFFAOYSA-N 0 0 406.263 4.371 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N[C@@H]3CCOC4(CCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000489034760 903141159 /nfs/dbraw/zinc/14/11/59/903141159.db2.gz DBUHAZPPNKVJNH-GOSISDBHSA-N 0 0 401.507 4.053 20 5 HIBDRN CCc1cccnc1NC(=O)c1ccc(C(=O)Nc2ncccc2CC)c([N+](=O)[O-])c1 ZINC000506014372 914690707 /nfs/dbraw/zinc/69/07/07/914690707.db2.gz FVTLGCYYKMRPGW-UHFFFAOYSA-N 0 0 419.441 4.014 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(Cl)cc2C1 ZINC000489062669 903165813 /nfs/dbraw/zinc/16/58/13/903165813.db2.gz OHDYQOAIXBEKCF-UHFFFAOYSA-N 0 0 406.891 4.185 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000489087676 903187916 /nfs/dbraw/zinc/18/79/16/903187916.db2.gz JNUGTEPRZPGVAD-KRWDZBQOSA-N 0 0 411.355 4.368 20 5 HIBDRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000489092472 903192082 /nfs/dbraw/zinc/19/20/82/903192082.db2.gz GIHYGUYBNCZZEN-OAHLLOKOSA-N 0 0 413.474 4.100 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000489131014 903219967 /nfs/dbraw/zinc/21/99/67/903219967.db2.gz CERYKEHTNOSXNW-GFCCVEGCSA-N 0 0 411.380 4.491 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC(c2cn[nH]c2)CC1 ZINC000489198568 903257560 /nfs/dbraw/zinc/25/75/60/903257560.db2.gz WPOOAVKQUAJGSD-UHFFFAOYSA-N 0 0 408.483 4.489 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)Nc3cc(C)c(=O)n(C)c3)cc2[N+](=O)[O-])cc1 ZINC000489278690 903304556 /nfs/dbraw/zinc/30/45/56/903304556.db2.gz OTUARKIXVDUOMD-UHFFFAOYSA-N 0 0 409.467 4.314 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000489279827 903304666 /nfs/dbraw/zinc/30/46/66/903304666.db2.gz PQRCQWSOTRPIAY-HXUWFJFHSA-N 0 0 404.470 4.408 20 5 HIBDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000489294880 903315156 /nfs/dbraw/zinc/31/51/56/903315156.db2.gz HYRWZPPIJKNYIT-UHFFFAOYSA-N 0 0 415.862 4.373 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1[N+](=O)[O-] ZINC000489308793 903323211 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ZJKRDUYMCRASSB-HNNXBMFYSA-N 0 0 402.882 4.061 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000489634149 903509493 /nfs/dbraw/zinc/50/94/93/903509493.db2.gz CQHFYIJSXBDLNN-ZWKOTPCHSA-N 0 0 423.469 4.126 20 5 HIBDRN CCc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1CC ZINC000489661963 903527269 /nfs/dbraw/zinc/52/72/69/903527269.db2.gz DHCVKZQZQZIMEG-OAQYLSRUSA-N 0 0 409.486 4.271 20 5 HIBDRN C[C@@H](Sc1nnc(CCCc2ccccc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000489663198 903527565 /nfs/dbraw/zinc/52/75/65/903527565.db2.gz CMEVRNMPRYOTGJ-CQSZACIVSA-N 0 0 412.471 4.272 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCOC3CCCC3)cc2[N+](=O)[O-])C1 ZINC000489701044 903547839 /nfs/dbraw/zinc/54/78/39/903547839.db2.gz GGXJQUQXURWXSD-IAGOWNOFSA-N 0 0 403.523 4.156 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(C)c(Oc3ccncc3)c2)c(C)c([N+](=O)[O-])c1 ZINC000489756615 903582457 /nfs/dbraw/zinc/58/24/57/903582457.db2.gz SEZXWQXACJRRQH-UHFFFAOYSA-N 0 0 421.409 4.438 20 5 HIBDRN COc1ccccc1[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000489764166 903589184 /nfs/dbraw/zinc/58/91/84/903589184.db2.gz JRBHEUXZIOKZJQ-VFNWGFHPSA-N 0 0 409.442 4.211 20 5 HIBDRN Cc1c(Br)c(NCc2nc3cc(Cl)ccc3n2C)ncc1[N+](=O)[O-] ZINC000489892096 903656619 /nfs/dbraw/zinc/65/66/19/903656619.db2.gz HKVFDWGSSUVXGW-UHFFFAOYSA-N 0 0 410.659 4.213 20 5 HIBDRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000489898680 903658307 /nfs/dbraw/zinc/65/83/07/903658307.db2.gz INUPAWXIQRGXDU-LPSGBRACSA-N 0 0 412.577 4.153 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000489912186 903668636 /nfs/dbraw/zinc/66/86/36/903668636.db2.gz DXSXGBWQYSEHPG-QFBILLFUSA-N 0 0 413.474 4.346 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000489913335 903670018 /nfs/dbraw/zinc/67/00/18/903670018.db2.gz HOOHJFQJPUTWEK-OAQYLSRUSA-N 0 0 420.469 4.322 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1[N+](=O)[O-] ZINC000489916103 903672325 /nfs/dbraw/zinc/67/23/25/903672325.db2.gz HFWBBEFGJIFQNA-LIRRHRJNSA-N 0 0 404.898 4.220 20 5 HIBDRN CCO[C@@H](C)c1nc(CN2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490031785 903734133 /nfs/dbraw/zinc/73/41/33/903734133.db2.gz PNDPAKNBUIKCKL-IRXDYDNUSA-N 0 0 418.563 4.336 20 5 HIBDRN COC[C@H](c1ccc(Cl)cc1)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000490058337 903747930 /nfs/dbraw/zinc/74/79/30/903747930.db2.gz ULTWSYXAZKFFCH-QGZVFWFLSA-N 0 0 402.838 4.118 20 5 HIBDRN CCCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C ZINC000490072308 903758543 /nfs/dbraw/zinc/75/85/43/903758543.db2.gz BBBIBWOJUXHBMR-OAHLLOKOSA-N 0 0 403.454 4.290 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)CCSc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000490082196 903763382 /nfs/dbraw/zinc/76/33/82/903763382.db2.gz BFGJCCSUIDDZNG-CQSZACIVSA-N 0 0 402.472 4.034 20 5 HIBDRN CS(=O)(=O)Cc1ccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000490139240 903787411 /nfs/dbraw/zinc/78/74/11/903787411.db2.gz YZIDPAAJGUYYPR-QFIPXVFZSA-N 0 0 410.495 4.019 20 5 HIBDRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC000490150649 903794400 /nfs/dbraw/zinc/79/44/00/903794400.db2.gz ZZMQZHZYDAHMOK-UHFFFAOYSA-N 0 0 419.821 4.026 20 5 HIBDRN O=C(NCc1ccccc1OCCO)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000490155950 903796928 /nfs/dbraw/zinc/79/69/28/903796928.db2.gz SVUHOKUAPHMXJM-UHFFFAOYSA-N 0 0 424.478 4.047 20 5 HIBDRN CCOC(=O)CC1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000490185639 903814493 /nfs/dbraw/zinc/81/44/93/903814493.db2.gz YWUQTPBBSUNEFQ-UHFFFAOYSA-N 0 0 411.458 4.144 20 5 HIBDRN C[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000490248748 903852717 /nfs/dbraw/zinc/85/27/17/903852717.db2.gz OZFGLCXOPOMWBF-CQSZACIVSA-N 0 0 419.503 4.191 20 5 HIBDRN O=C(Nc1nnc(/C=C\c2ccco2)s1)c1ccc([N+](=O)[O-])cc1Br ZINC000490286939 903876189 /nfs/dbraw/zinc/87/61/89/903876189.db2.gz LTGSMLCAWNXHCD-XQRVVYSFSA-N 0 0 421.232 4.225 20 5 HIBDRN CCNC(=O)Nc1ccc(C)c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000490311692 903893306 /nfs/dbraw/zinc/89/33/06/903893306.db2.gz WCVLJPAOLHTJAP-UHFFFAOYSA-N 0 0 411.462 4.241 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000490341631 903933692 /nfs/dbraw/zinc/93/36/92/903933692.db2.gz FNLGLOJCCHNKNM-OALRPVAKSA-N 0 0 402.457 4.329 20 5 HIBDRN COc1cc(CNc2ccccc2-n2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490363896 903956444 /nfs/dbraw/zinc/95/64/44/903956444.db2.gz IAHNDKLYJCCQNQ-UHFFFAOYSA-N 0 0 404.373 4.045 20 5 HIBDRN C[C@H](Sc1ccccc1Cl)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000490367897 903958858 /nfs/dbraw/zinc/95/88/58/903958858.db2.gz MRBYQAJIOJVBNK-JTQLQIEISA-N 0 0 403.851 4.153 20 5 HIBDRN O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490396851 903981495 /nfs/dbraw/zinc/98/14/95/903981495.db2.gz FJBVIQJWRZCCSA-UHFFFAOYSA-N 0 0 415.449 4.397 20 5 HIBDRN Cc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000490415371 903995480 /nfs/dbraw/zinc/99/54/80/903995480.db2.gz PIUFDJFLRIRPDH-UHFFFAOYSA-N 0 0 417.491 4.160 20 5 HIBDRN COc1ccc(Cn2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 ZINC000490425346 904002583 /nfs/dbraw/zinc/00/25/83/904002583.db2.gz LAGJJYWGMYWDGG-UHFFFAOYSA-N 0 0 408.439 4.315 20 5 HIBDRN COc1ccc(Br)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000490429627 904004977 /nfs/dbraw/zinc/00/49/77/904004977.db2.gz DNOBONMEAVVKFM-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN O=C(Nc1ccc2c(c1)OCCO2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000490454399 904021338 /nfs/dbraw/zinc/02/13/38/904021338.db2.gz QFKQFWXVXORCSF-UHFFFAOYSA-N 0 0 406.394 4.197 20 5 HIBDRN CC(C)CCn1ncc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1C(C)C ZINC000490474507 904028967 /nfs/dbraw/zinc/02/89/67/904028967.db2.gz BULJUQNUSNDIHW-UHFFFAOYSA-N 0 0 411.462 4.467 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)CCc1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000506072270 914778116 /nfs/dbraw/zinc/77/81/16/914778116.db2.gz SEFGPDOZJCGMBD-GOSISDBHSA-N 0 0 420.412 4.005 20 5 HIBDRN Cc1c(CNC(=O)Nc2cc(F)cc(Br)c2F)cccc1[N+](=O)[O-] ZINC000490552983 904095707 /nfs/dbraw/zinc/09/57/07/904095707.db2.gz YEYUUPBEHCHHBG-UHFFFAOYSA-N 0 0 400.179 4.266 20 5 HIBDRN COc1cc(CNc2cccc(OC(F)F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490566494 904105552 /nfs/dbraw/zinc/10/55/52/904105552.db2.gz KFOYQTIPCAADND-UHFFFAOYSA-N 0 0 404.316 4.461 20 5 HIBDRN COc1cc(CNc2cccc(-c3nccn3C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490584358 904117299 /nfs/dbraw/zinc/11/72/99/904117299.db2.gz DGABVSQUAGODHJ-UHFFFAOYSA-N 0 0 418.400 4.260 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCc2ccccn2)C1 ZINC000490590288 904121915 /nfs/dbraw/zinc/12/19/15/904121915.db2.gz VJUXACMGBYBIPL-SFHVURJKSA-N 0 0 415.515 4.169 20 5 HIBDRN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000490727823 904195584 /nfs/dbraw/zinc/19/55/84/904195584.db2.gz CTKSJAGJAJSNEC-INIZCTEOSA-N 0 0 424.906 4.438 20 5 HIBDRN Cc1c(CNC(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000490758571 904213978 /nfs/dbraw/zinc/21/39/78/904213978.db2.gz KFTXITMHSGPLSC-QGZVFWFLSA-N 0 0 406.364 4.487 20 5 HIBDRN O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000490787424 904234680 /nfs/dbraw/zinc/23/46/80/904234680.db2.gz ABKLIYUKNWDUCP-KRWDZBQOSA-N 0 0 418.375 4.247 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc2nccnc2c1Br)c1cccc([N+](=O)[O-])c1 ZINC000490791324 904237254 /nfs/dbraw/zinc/23/72/54/904237254.db2.gz GFULIJUOIIJYLU-JTQLQIEISA-N 0 0 416.235 4.183 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1[N+](=O)[O-] ZINC000490793989 904240934 /nfs/dbraw/zinc/24/09/34/904240934.db2.gz IXBNJZKJYOYZOR-QGZVFWFLSA-N 0 0 422.363 4.188 20 5 HIBDRN CC(C)c1cnc(-c2ccc(NC(=O)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)o1 ZINC000490861567 904293303 /nfs/dbraw/zinc/29/33/03/904293303.db2.gz XTXHCESZQKCMBY-CQSZACIVSA-N 0 0 422.441 4.189 20 5 HIBDRN C[C@H](C1CC1)n1cc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cn1 ZINC000490966217 904341149 /nfs/dbraw/zinc/34/11/49/904341149.db2.gz GUEWPNZFACNBKN-BZUAXINKSA-N 0 0 411.506 4.497 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@]1(c1ccccc1)C(F)(F)F ZINC000491001120 904361750 /nfs/dbraw/zinc/36/17/50/904361750.db2.gz JNDFBBKUKJUBDR-SFHVURJKSA-N 0 0 408.332 4.017 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000491039984 904390640 /nfs/dbraw/zinc/39/06/40/904390640.db2.gz UURRKXIXSGUSEV-UHFFFAOYSA-N 0 0 420.347 4.032 20 5 HIBDRN Cc1csc(-c2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)n1 ZINC000506116834 914809391 /nfs/dbraw/zinc/80/93/91/914809391.db2.gz BMWOPRHRMIHCIF-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN Cc1ccc2sc(N(Cc3ccccc3)C(=O)Cn3cc([N+](=O)[O-])cn3)nc2c1C ZINC000491105790 904429422 /nfs/dbraw/zinc/42/94/22/904429422.db2.gz BYCBHGNCASFQSM-UHFFFAOYSA-N 0 0 421.482 4.251 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H]2CCCOc3ccccc32)c([N+](=O)[O-])cc1OCC ZINC000506120852 914810958 /nfs/dbraw/zinc/81/09/58/914810958.db2.gz DEZMDBHJUQLEFI-HNNXBMFYSA-N 0 0 415.446 4.428 20 5 HIBDRN Cc1cc([C@H]2CN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCO2)ccc1F ZINC000491175991 904468723 /nfs/dbraw/zinc/46/87/23/904468723.db2.gz YXXZIYOORZAUED-ORAYPTAESA-N 0 0 421.856 4.096 20 5 HIBDRN Cc1cc([C@@H]2CN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCO2)ccc1F ZINC000491175990 904469129 /nfs/dbraw/zinc/46/91/29/904469129.db2.gz YXXZIYOORZAUED-DJJJIMSYSA-N 0 0 421.856 4.096 20 5 HIBDRN COc1cc(CN(C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491184834 904472253 /nfs/dbraw/zinc/47/22/53/904472253.db2.gz XTAPVLUYHHAMBG-UHFFFAOYSA-N 0 0 402.344 4.158 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(-n2cccn2)cc1 ZINC000491310779 904530863 /nfs/dbraw/zinc/53/08/63/904530863.db2.gz FGHJVNTVIGBQKM-INIZCTEOSA-N 0 0 405.458 4.216 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(-n2cccn2)cc1 ZINC000491310780 904531183 /nfs/dbraw/zinc/53/11/83/904531183.db2.gz FGHJVNTVIGBQKM-MRXNPFEDSA-N 0 0 405.458 4.216 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3nnc(-c4ccco4)s3)cc2[N+](=O)[O-])CC1 ZINC000491331961 904541201 /nfs/dbraw/zinc/54/12/01/904541201.db2.gz IKZLQRWTKAAGFA-UHFFFAOYSA-N 0 0 413.459 4.195 20 5 HIBDRN Cc1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1S(=O)(=O)C1CCCC1 ZINC000491354216 904551496 /nfs/dbraw/zinc/55/14/96/904551496.db2.gz ASAONPVWFBYFCK-UHFFFAOYSA-N 0 0 402.472 4.180 20 5 HIBDRN Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000491443557 904599248 /nfs/dbraw/zinc/59/92/48/904599248.db2.gz JKPZPXWWDMWVSK-UHFFFAOYSA-N 0 0 402.472 4.262 20 5 HIBDRN CN(C)C(=O)C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000491762585 904695010 /nfs/dbraw/zinc/69/50/10/904695010.db2.gz MYXITTFQFMNRQF-LBPRGKRZSA-N 0 0 408.285 4.484 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2ccccc2n1CC ZINC000506184226 914836678 /nfs/dbraw/zinc/83/66/78/914836678.db2.gz WFOTVYDOVHVGKB-UHFFFAOYSA-N 0 0 412.515 4.439 20 5 HIBDRN CCOc1cc(CSc2nnc(C)n2CCc2cccs2)ccc1[N+](=O)[O-] ZINC000492063870 904782635 /nfs/dbraw/zinc/78/26/35/904782635.db2.gz PMHLBZOREKHJED-UHFFFAOYSA-N 0 0 404.517 4.490 20 5 HIBDRN CC1CCN(C(=O)c2ccc(NC(=O)CSc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000492193623 904813235 /nfs/dbraw/zinc/81/32/35/904813235.db2.gz CSXZTAJAIAORHK-UHFFFAOYSA-N 0 0 413.499 4.198 20 5 HIBDRN COc1cc(C[NH2+]C2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492236124 904821085 /nfs/dbraw/zinc/82/10/85/904821085.db2.gz BTICYXGSKQDTEJ-UHFFFAOYSA-N 0 0 421.444 4.006 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cs1 ZINC000492278942 904827999 /nfs/dbraw/zinc/82/79/99/904827999.db2.gz XMXPFAVTJIHZPT-UHFFFAOYSA-N 0 0 403.485 4.210 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000492492347 904859791 /nfs/dbraw/zinc/85/97/91/904859791.db2.gz VHYHCIFLVXUIBY-UHFFFAOYSA-N 0 0 404.492 4.388 20 5 HIBDRN CCOc1cc(CN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492657335 904883187 /nfs/dbraw/zinc/88/31/87/904883187.db2.gz RYIYVBPNRZRXHQ-JOCHJYFZSA-N 0 0 405.454 4.463 20 5 HIBDRN Cc1cc(-c2noc(CCC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)ccc1F ZINC000492795882 904907326 /nfs/dbraw/zinc/90/73/26/904907326.db2.gz ZZKBVMLMJGYPHV-UHFFFAOYSA-N 0 0 424.432 4.216 20 5 HIBDRN CC(=O)CCc1ccc(O[C@H](C)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000492815014 904912795 /nfs/dbraw/zinc/91/27/95/904912795.db2.gz CJGCJVLPDCCPCV-QGZVFWFLSA-N 0 0 410.470 4.075 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC000492885338 904936997 /nfs/dbraw/zinc/93/69/97/904936997.db2.gz COARIBIHDWCBHV-SFHVURJKSA-N 0 0 416.890 4.095 20 5 HIBDRN C[C@H](Oc1ccccc1Br)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492896259 904943128 /nfs/dbraw/zinc/94/31/28/904943128.db2.gz VJROXNZYYTXWDO-ZDUSSCGKSA-N 0 0 419.275 4.316 20 5 HIBDRN O=C(COc1ccc(F)cc1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492964972 904967519 /nfs/dbraw/zinc/96/75/19/904967519.db2.gz XXWNGWNWDDIJRN-UHFFFAOYSA-N 0 0 423.238 4.066 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000493070361 905008051 /nfs/dbraw/zinc/00/80/51/905008051.db2.gz DBKOAJYNLMABRL-ZDUSSCGKSA-N 0 0 416.503 4.325 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc1[N+](=O)[O-] ZINC000493160543 905037026 /nfs/dbraw/zinc/03/70/26/905037026.db2.gz UBVQHGMAXRJNAG-MAUKXSAKSA-N 0 0 411.458 4.282 20 5 HIBDRN CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000493173806 905039796 /nfs/dbraw/zinc/03/97/96/905039796.db2.gz HANWIIXKDAEQKJ-DEOSSOPVSA-N 0 0 422.488 4.126 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000506255441 914866562 /nfs/dbraw/zinc/86/65/62/914866562.db2.gz QZINGJYXCFYRTH-GOSISDBHSA-N 0 0 402.882 4.296 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000493279496 905078789 /nfs/dbraw/zinc/07/87/89/905078789.db2.gz IMBCLTKZXDPMFR-OAHLLOKOSA-N 0 0 410.474 4.458 20 5 HIBDRN CO[C@@H](C)c1nc(CN2CCCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cs1 ZINC000493310551 905083774 /nfs/dbraw/zinc/08/37/74/905083774.db2.gz LXVIZUXIIVTHOI-AWEZNQCLSA-N 0 0 424.954 4.120 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000506263850 914871525 /nfs/dbraw/zinc/87/15/25/914871525.db2.gz LJFCZMDAVNMUNC-OAHLLOKOSA-N 0 0 412.421 4.007 20 5 HIBDRN COc1ccc([C@H](C)NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1F ZINC000493601455 905170434 /nfs/dbraw/zinc/17/04/34/905170434.db2.gz HRPZEXWIXFORSI-NSHDSACASA-N 0 0 414.380 4.246 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(F)(F)F)nc2C)cc1SC ZINC000512387442 921122927 /nfs/dbraw/zinc/12/29/27/921122927.db2.gz TVUSZYHRAMNLNW-UHFFFAOYSA-N 0 0 401.366 4.300 20 5 HIBDRN CS(=O)(=O)c1ccc(N(Cc2cccc(-c3cccnc3)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000493682272 905191860 /nfs/dbraw/zinc/19/18/60/905191860.db2.gz PCQQOLMKKFHABQ-UHFFFAOYSA-N 0 0 423.494 4.229 20 5 HIBDRN O=C(c1cc(N[C@@H]2CCC[C@@H]2OCc2ccccc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000493738137 905208797 /nfs/dbraw/zinc/20/87/97/905208797.db2.gz OONIQORKWZADHU-IRLDBZIGSA-N 0 0 409.486 4.381 20 5 HIBDRN COc1cc(CNc2cncc(Br)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493767853 905216422 /nfs/dbraw/zinc/21/64/22/905216422.db2.gz VERZYDVSRCFMCU-UHFFFAOYSA-N 0 0 418.194 4.017 20 5 HIBDRN Cc1nc(C(F)(F)F)ccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000512392412 921128487 /nfs/dbraw/zinc/12/84/87/921128487.db2.gz KPACHCJIMITTDD-UHFFFAOYSA-N 0 0 410.171 4.393 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000493898265 905255073 /nfs/dbraw/zinc/25/50/73/905255073.db2.gz VLJBMPPFPUWMLW-INIZCTEOSA-N 0 0 403.438 4.386 20 5 HIBDRN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000493915371 905265138 /nfs/dbraw/zinc/26/51/38/905265138.db2.gz DLUVEDSQHYUPDN-UZCIPKQKSA-N 0 0 416.384 4.104 20 5 HIBDRN CCCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000493916221 905268095 /nfs/dbraw/zinc/26/80/95/905268095.db2.gz HURWLWABWGLUDV-ZDUSSCGKSA-N 0 0 419.865 4.161 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN[C@H]3CCO[C@H]3c3ccc(F)c(F)c3)co2)cc1 ZINC000493961606 905311214 /nfs/dbraw/zinc/31/12/14/905311214.db2.gz QOJKWMUZMXBLGU-OALUTQOASA-N 0 0 401.369 4.148 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)co2)cc1 ZINC000493961609 905311973 /nfs/dbraw/zinc/31/19/73/905311973.db2.gz QOJKWMUZMXBLGU-RTBURBONSA-N 0 0 401.369 4.148 20 5 HIBDRN O=C(Nc1cccn(Cc2ccccc2)c1=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494017102 905354431 /nfs/dbraw/zinc/35/44/31/905354431.db2.gz LCPTWDAMKFIQGI-UHFFFAOYSA-N 0 0 418.453 4.001 20 5 HIBDRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000494081994 905417367 /nfs/dbraw/zinc/41/73/67/905417367.db2.gz QYWDRNDRUCYHKZ-UHFFFAOYSA-N 0 0 424.478 4.438 20 5 HIBDRN Cc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1[N+](=O)[O-] ZINC000494081867 905417564 /nfs/dbraw/zinc/41/75/64/905417564.db2.gz NYKFPDLTSNWKKP-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(Nc1ccn(CC(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000494138543 905480835 /nfs/dbraw/zinc/48/08/35/905480835.db2.gz BTKOAMFRYLYHSK-UHFFFAOYSA-N 0 0 419.363 4.218 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000512423387 921151458 /nfs/dbraw/zinc/15/14/58/921151458.db2.gz GHBQKUJPEVJGFQ-HXUWFJFHSA-N 0 0 414.824 4.145 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F ZINC000494201827 905535905 /nfs/dbraw/zinc/53/59/05/905535905.db2.gz PBHCBRCEQNBTKV-JTQLQIEISA-N 0 0 415.343 4.322 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000494211899 905543664 /nfs/dbraw/zinc/54/36/64/905543664.db2.gz JFTPREZCHAFAFJ-KRWDZBQOSA-N 0 0 420.849 4.214 20 5 HIBDRN CC(C)(C)NC(=O)c1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000494259694 905584233 /nfs/dbraw/zinc/58/42/33/905584233.db2.gz NJEHPZMRHBBDPN-UHFFFAOYSA-N 0 0 410.474 4.320 20 5 HIBDRN C[C@H]1CN(c2ccccc2NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@H](C)O1 ZINC000494263838 905587269 /nfs/dbraw/zinc/58/72/69/905587269.db2.gz BAVYLWFEDZBMAI-IRXDYDNUSA-N 0 0 424.501 4.405 20 5 HIBDRN C[C@H](NC(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000494354612 905658573 /nfs/dbraw/zinc/65/85/73/905658573.db2.gz YDFZDPXLFLXYSH-NSHDSACASA-N 0 0 420.351 4.077 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CCN(c2ccccc2)CC1 ZINC000494386674 905681733 /nfs/dbraw/zinc/68/17/33/905681733.db2.gz OCCDNCWMYCXGHR-UHFFFAOYSA-N 0 0 422.407 4.082 20 5 HIBDRN CCC(CC)[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccs1 ZINC000494389288 905686289 /nfs/dbraw/zinc/68/62/89/905686289.db2.gz XSYGZOBLMSVNIH-GOSISDBHSA-N 0 0 405.524 4.377 20 5 HIBDRN COCC(=O)N1CCc2cc(NCc3ccc(-c4ccccc4[N+](=O)[O-])s3)ccc21 ZINC000494472180 905752573 /nfs/dbraw/zinc/75/25/73/905752573.db2.gz IQHKYARSLYKVKZ-UHFFFAOYSA-N 0 0 423.494 4.471 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN[C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)c1 ZINC000494489043 905772975 /nfs/dbraw/zinc/77/29/75/905772975.db2.gz CCPZWCHKZGDTKD-SJLPKXTDSA-N 0 0 418.812 4.057 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)c(C)c1[N+](=O)[O-] ZINC000494493322 905780024 /nfs/dbraw/zinc/78/00/24/905780024.db2.gz JNEVVOIUUPUYBF-NRFANRHFSA-N 0 0 404.470 4.269 20 5 HIBDRN O=C(Nc1ccccc1-c1c(F)cccc1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000494494325 905782161 /nfs/dbraw/zinc/78/21/61/905782161.db2.gz PCOWDZUWKTWPSO-UHFFFAOYSA-N 0 0 421.363 4.373 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN[C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)cc1 ZINC000494495741 905784293 /nfs/dbraw/zinc/78/42/93/905784293.db2.gz OGSOBPCVDZGYDI-FUHWJXTLSA-N 0 0 418.812 4.057 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000494504547 905794923 /nfs/dbraw/zinc/79/49/23/905794923.db2.gz 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O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1ccccc1OCC1CC1 ZINC000495206118 906306479 /nfs/dbraw/zinc/30/64/79/906306479.db2.gz VHNKXQCMSHAKDZ-UHFFFAOYSA-N 0 0 423.391 4.402 20 5 HIBDRN COc1ccc(CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000512541165 921223781 /nfs/dbraw/zinc/22/37/81/921223781.db2.gz RXYMKYGAIZQNGX-AWEZNQCLSA-N 0 0 414.458 4.062 20 5 HIBDRN CC(C)(CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccs1 ZINC000495212506 906309941 /nfs/dbraw/zinc/30/99/41/906309941.db2.gz SCYPDEVYYHTIQZ-UHFFFAOYSA-N 0 0 401.410 4.452 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000495329532 906379775 /nfs/dbraw/zinc/37/97/75/906379775.db2.gz OKCSMUGBEUSABV-MHZLTWQESA-N 0 0 410.492 4.472 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)cc1[N+](=O)[O-] ZINC000495353413 906395995 /nfs/dbraw/zinc/39/59/95/906395995.db2.gz JXRRTDXFFGRIBJ-UHFFFAOYSA-N 0 0 403.435 4.066 20 5 HIBDRN O=C(N[C@H](CCCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000495360464 906400982 /nfs/dbraw/zinc/40/09/82/906400982.db2.gz GYKITRVDAFGFQB-JOCHJYFZSA-N 0 0 419.481 4.451 20 5 HIBDRN CN(C(=O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000495395912 906425592 /nfs/dbraw/zinc/42/55/92/906425592.db2.gz JVLFTURTOWQMDA-UHFFFAOYSA-N 0 0 407.392 4.241 20 5 HIBDRN CN(C)C(=O)c1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 ZINC000495456722 906462842 /nfs/dbraw/zinc/46/28/42/906462842.db2.gz IKVRJYZAIUJNDF-UHFFFAOYSA-N 0 0 422.466 4.095 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c([N+](=O)[O-])cc1OC ZINC000495477119 906474695 /nfs/dbraw/zinc/47/46/95/906474695.db2.gz GDBUNNQYPPHOEQ-ZDUSSCGKSA-N 0 0 412.446 4.034 20 5 HIBDRN CCc1cc(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc2[nH]1 ZINC000512566959 921241189 /nfs/dbraw/zinc/24/11/89/921241189.db2.gz WDBDXKAXLDZTKO-UHFFFAOYSA-N 0 0 405.332 4.270 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CCC(C)C)c1C ZINC000495980297 906590774 /nfs/dbraw/zinc/59/07/74/906590774.db2.gz CMKBMSYRXJPMQM-UHFFFAOYSA-N 0 0 406.508 4.137 20 5 HIBDRN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000496496753 906694503 /nfs/dbraw/zinc/69/45/03/906694503.db2.gz POCJIQWAHKSIJV-QFIPXVFZSA-N 0 0 411.408 4.449 20 5 HIBDRN C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000496535579 906704896 /nfs/dbraw/zinc/70/48/96/906704896.db2.gz VLFHUDLJSYXYOX-CABCVRRESA-N 0 0 415.515 4.284 20 5 HIBDRN COc1ccccc1COC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000496721672 906742978 /nfs/dbraw/zinc/74/29/78/906742978.db2.gz HAFSQZBKWQDXBX-UHFFFAOYSA-N 0 0 412.486 4.089 20 5 HIBDRN Cn1nccc1[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512636190 921269527 /nfs/dbraw/zinc/26/95/27/921269527.db2.gz XKYNVJRRLIAEOL-KRWDZBQOSA-N 0 0 405.458 4.092 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)CO1 ZINC000497354577 906849097 /nfs/dbraw/zinc/84/90/97/906849097.db2.gz JHSVVHGMIIMXOF-ACJLOTCBSA-N 0 0 406.385 4.107 20 5 HIBDRN COc1ccccc1-n1ncc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000512649859 921273827 /nfs/dbraw/zinc/27/38/27/921273827.db2.gz VCSWWTOTEDTWDK-UHFFFAOYSA-N 0 0 408.458 4.148 20 5 HIBDRN CCOC(=O)[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)Cc2ccccc21 ZINC000512657729 921277286 /nfs/dbraw/zinc/27/72/86/921277286.db2.gz HRLQRHYDUOWCEK-FQEVSTJZSA-N 0 0 423.494 4.381 20 5 HIBDRN COc1cc(CN2CCC(c3ncc[nH]3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000512658635 921277918 /nfs/dbraw/zinc/27/79/18/921277918.db2.gz WYEYYFBNJDRTJC-UHFFFAOYSA-N 0 0 422.485 4.285 20 5 HIBDRN CCOC(=O)CC(C)(C)N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000497465745 906942634 /nfs/dbraw/zinc/94/26/34/906942634.db2.gz SYUCWPWKLSBLDC-UHFFFAOYSA-N 0 0 413.474 4.011 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](C)Cc2cccc(OC)c2)c([N+](=O)[O-])cc1OCC ZINC000497487303 906970179 /nfs/dbraw/zinc/97/01/79/906970179.db2.gz FRMPTEYZPWVZQH-CQSZACIVSA-N 0 0 417.462 4.154 20 5 HIBDRN CS(=O)(=O)c1ccc(Nc2cccc(OCc3ccc(F)cc3)c2)c([N+](=O)[O-])c1 ZINC000497532326 907022058 /nfs/dbraw/zinc/02/20/58/907022058.db2.gz JEIVERBRDVPCMQ-UHFFFAOYSA-N 0 0 416.430 4.460 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1 ZINC000497532784 907024000 /nfs/dbraw/zinc/02/40/00/907024000.db2.gz FSQFZHVFNJAVHM-UHFFFAOYSA-N 0 0 423.425 4.465 20 5 HIBDRN CC[C@@H](c1nnc(Sc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])o1)c1ccccc1 ZINC000497541953 907033895 /nfs/dbraw/zinc/03/38/95/907033895.db2.gz XIKTZONTTZSTPL-CYBMUJFWSA-N 0 0 419.484 4.074 20 5 HIBDRN O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000497570191 907056953 /nfs/dbraw/zinc/05/69/53/907056953.db2.gz AOGSPDSQRSHQCS-UHFFFAOYSA-N 0 0 407.411 4.066 20 5 HIBDRN Cn1ccnc1SCc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000497585962 907067224 /nfs/dbraw/zinc/06/72/24/907067224.db2.gz VHWXDOHVLBLFKD-UHFFFAOYSA-N 0 0 412.471 4.018 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)cc1[N+](=O)[O-])c1ccccn1 ZINC000497597024 907076572 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0 419.403 4.281 20 5 HIBDRN C[C@H]1CN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)O1 ZINC000497801204 907284990 /nfs/dbraw/zinc/28/49/90/907284990.db2.gz NXYFJYJJNXMPRO-STQMWFEESA-N 0 0 421.400 4.062 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Br)cn1 ZINC000497801610 907287532 /nfs/dbraw/zinc/28/75/32/907287532.db2.gz QUOWYRJJLOCCDE-UHFFFAOYSA-N 0 0 416.178 4.020 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)c1ccccc1[N+](=O)[O-] ZINC000497820636 907303444 /nfs/dbraw/zinc/30/34/44/907303444.db2.gz DXHJRHOOEWVSNS-LBPRGKRZSA-N 0 0 415.247 4.034 20 5 HIBDRN COc1ccc(CNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1[N+](=O)[O-] ZINC000512794275 921312700 /nfs/dbraw/zinc/31/27/00/921312700.db2.gz YYAFINYHELLCSU-UHFFFAOYSA-N 0 0 423.903 4.301 20 5 HIBDRN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000497831122 907313354 /nfs/dbraw/zinc/31/33/54/907313354.db2.gz HQPUBEJREGBPDC-LBPRGKRZSA-N 0 0 402.401 4.495 20 5 HIBDRN 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ZINC000497970951 907442381 /nfs/dbraw/zinc/44/23/81/907442381.db2.gz BZAMUFJFDUDERI-UHFFFAOYSA-N 0 0 402.472 4.264 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCc2ccccc2C1 ZINC000497978046 907452888 /nfs/dbraw/zinc/45/28/88/907452888.db2.gz AIZSLTVBGSIWEX-UHFFFAOYSA-N 0 0 401.271 4.039 20 5 HIBDRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000498032294 907534769 /nfs/dbraw/zinc/53/47/69/907534769.db2.gz XDGIHNRIGJYQHI-QFIPXVFZSA-N 0 0 405.454 4.070 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000498037943 907543423 /nfs/dbraw/zinc/54/34/23/907543423.db2.gz ZEWVJEBPAXCZSP-HXUWFJFHSA-N 0 0 410.451 4.057 20 5 HIBDRN COc1cccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000498040647 907546968 /nfs/dbraw/zinc/54/69/68/907546968.db2.gz KMUOJKSYNIDFLF-UHFFFAOYSA-N 0 0 413.817 4.374 20 5 HIBDRN CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nc2cc3ccccc3cc2c1=O ZINC000498087556 907596335 /nfs/dbraw/zinc/59/63/35/907596335.db2.gz FHPHKLRHWIOBMT-UHFFFAOYSA-N 0 0 424.913 4.349 20 5 HIBDRN Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000512833330 921337668 /nfs/dbraw/zinc/33/76/68/921337668.db2.gz KRFVKSMVZFIZMZ-INIZCTEOSA-N 0 0 408.483 4.287 20 5 HIBDRN C[C@@H]1CN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)C[C@@H](C)O1 ZINC000498137676 907658544 /nfs/dbraw/zinc/65/85/44/907658544.db2.gz BXOALIZGRZQWRD-HZPDHXFCSA-N 0 0 420.469 4.005 20 5 HIBDRN Cc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)n1-c1nccs1 ZINC000498149395 907672059 /nfs/dbraw/zinc/67/20/59/907672059.db2.gz JRHBQDMGMMUELY-GOSISDBHSA-N 0 0 414.512 4.347 20 5 HIBDRN O=C(Cc1csc(-c2ccoc2)n1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498150080 907674058 /nfs/dbraw/zinc/67/40/58/907674058.db2.gz SQBBGFLWDQCFEN-GOSISDBHSA-N 0 0 401.469 4.128 20 5 HIBDRN O=C(c1ccc(OCc2ccccn2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498154397 907680561 /nfs/dbraw/zinc/68/05/61/907680561.db2.gz XIHBSAOIUXGIQR-QFIPXVFZSA-N 0 0 421.478 4.457 20 5 HIBDRN O=C(NC1CCCCC1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000498176704 907706459 /nfs/dbraw/zinc/70/64/59/907706459.db2.gz RIRXGQJFYWKMQU-UHFFFAOYSA-N 0 0 418.453 4.458 20 5 HIBDRN O=C(NCCc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498184405 907717988 /nfs/dbraw/zinc/71/79/88/907717988.db2.gz CQIFMMPSOOGESB-UHFFFAOYSA-N 0 0 418.222 4.017 20 5 HIBDRN O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498188711 907722911 /nfs/dbraw/zinc/72/29/11/907722911.db2.gz XRFOOXMXPPGZPL-UHFFFAOYSA-N 0 0 414.421 4.047 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCCc2cccc(OCc3ccccc3)c2)c1 ZINC000498207678 907738607 /nfs/dbraw/zinc/73/86/07/907738607.db2.gz HORCZAPRXCQWJO-UHFFFAOYSA-N 0 0 406.438 4.155 20 5 HIBDRN Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000498219551 907748916 /nfs/dbraw/zinc/74/89/16/907748916.db2.gz LAPXMEFYBKMYOS-UHFFFAOYSA-N 0 0 410.386 4.058 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(OC)c1 ZINC000498238961 907772266 /nfs/dbraw/zinc/77/22/66/907772266.db2.gz VTYZLPPKYUEMEW-INIZCTEOSA-N 0 0 422.384 4.191 20 5 HIBDRN O=C(N[C@@H]1CCc2c1cccc2Br)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498268972 907806527 /nfs/dbraw/zinc/80/65/27/907806527.db2.gz RDWOTEHMYIXBEB-MRXNPFEDSA-N 0 0 412.243 4.323 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498279856 907814999 /nfs/dbraw/zinc/81/49/99/907814999.db2.gz TXBDLVCEUPEHOE-GOEBONIOSA-N 0 0 401.344 4.448 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000498305503 907830099 /nfs/dbraw/zinc/83/00/99/907830099.db2.gz VJDGYVJDORWFED-JTSKRJEESA-N 0 0 405.454 4.349 20 5 HIBDRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000498312440 907833708 /nfs/dbraw/zinc/83/37/08/907833708.db2.gz BZBXRLKPKWQRKB-LJQANCHMSA-N 0 0 419.481 4.315 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(OC)c(Oc3ccc(C)nn3)c2)cc1[N+](=O)[O-] ZINC000498328305 907842221 /nfs/dbraw/zinc/84/22/21/907842221.db2.gz LGHUJMHTXAQJQC-UHFFFAOYSA-N 0 0 408.414 4.309 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498392756 907876810 /nfs/dbraw/zinc/87/68/10/907876810.db2.gz UMLRDXMOAMXVKL-QLJPJBMISA-N 0 0 414.792 4.356 20 5 HIBDRN Cc1cc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)ccc1[N+](=O)[O-] ZINC000498466503 907934012 /nfs/dbraw/zinc/93/40/12/907934012.db2.gz PGFZBBXWCPZWQZ-UHFFFAOYSA-N 0 0 401.422 4.358 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCn2cccc2[C@H]1c1ccccc1 ZINC000498471710 907941570 /nfs/dbraw/zinc/94/15/70/907941570.db2.gz IORWRKGIAXWLST-OAQYLSRUSA-N 0 0 424.888 4.407 20 5 HIBDRN O=C(Nc1ccc(CN2CCCC2=O)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000498528315 907998088 /nfs/dbraw/zinc/99/80/88/907998088.db2.gz MDTHNUQCBBZJKB-UHFFFAOYSA-N 0 0 422.466 4.093 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000498540276 908006827 /nfs/dbraw/zinc/00/68/27/908006827.db2.gz NAHWDVRRNCTLAL-UHFFFAOYSA-N 0 0 412.446 4.020 20 5 HIBDRN COC[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000498593892 908044038 /nfs/dbraw/zinc/04/40/38/908044038.db2.gz RQBOQMQNSZVXOW-HNNXBMFYSA-N 0 0 417.893 4.359 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2nncc3ccccc32)cc1 ZINC000498593751 908044311 /nfs/dbraw/zinc/04/43/11/908044311.db2.gz UQIFBLWHLCYHJT-UHFFFAOYSA-N 0 0 416.393 4.348 20 5 HIBDRN COC[C@H]1CCN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000498737694 908166781 /nfs/dbraw/zinc/16/67/81/908166781.db2.gz KACJPNQLJDMERH-FXFXYLOPSA-N 0 0 423.494 4.383 20 5 HIBDRN O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000498882422 908282195 /nfs/dbraw/zinc/28/21/95/908282195.db2.gz AOWSAAAWRZBSML-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN Cc1cccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c1[N+](=O)[O-] ZINC000498887082 908289664 /nfs/dbraw/zinc/28/96/64/908289664.db2.gz DOWPSLFYSLUHMJ-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=[N+]([O-])c1cccnc1N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000498943954 908350114 /nfs/dbraw/zinc/35/01/14/908350114.db2.gz QGNIRVBPKAFHEY-UHFFFAOYSA-N 0 0 408.433 4.035 20 5 HIBDRN CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000498949759 908353180 /nfs/dbraw/zinc/35/31/80/908353180.db2.gz OQSYQJFTZRWKDM-AWEZNQCLSA-N 0 0 401.488 4.049 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000499158480 908515530 /nfs/dbraw/zinc/51/55/30/908515530.db2.gz QGAYRZCPVWXJIJ-UHFFFAOYSA-N 0 0 403.485 4.066 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000499181911 908535628 /nfs/dbraw/zinc/53/56/28/908535628.db2.gz ZKPVRKAYCFSRJH-UHFFFAOYSA-N 0 0 418.515 4.429 20 5 HIBDRN O=C(CCCC(=O)c1ccc(Br)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000499226753 908585308 /nfs/dbraw/zinc/58/53/08/908585308.db2.gz FCTBRYYRKCSRRU-UHFFFAOYSA-N 0 0 419.275 4.069 20 5 HIBDRN NC(=O)NCc1ccc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 ZINC000499232823 908594024 /nfs/dbraw/zinc/59/40/24/908594024.db2.gz KRSASSMZRIMONY-UHFFFAOYSA-N 0 0 410.405 4.307 20 5 HIBDRN Cn1nccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 ZINC000499266649 908644101 /nfs/dbraw/zinc/64/41/01/908644101.db2.gz AFIMSDZNPRJVSU-UHFFFAOYSA-N 0 0 405.336 4.343 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000512939469 921427323 /nfs/dbraw/zinc/42/73/23/921427323.db2.gz JRRIDLHEAIKENH-QZTJIDSGSA-N 0 0 403.276 4.162 20 5 HIBDRN Cc1ccccc1-n1nccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000499292036 908664956 /nfs/dbraw/zinc/66/49/56/908664956.db2.gz YXXQHHWPNNJRQW-UHFFFAOYSA-N 0 0 420.347 4.282 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000499299552 908671836 /nfs/dbraw/zinc/67/18/36/908671836.db2.gz DCVVZEYWSJLJOW-UHFFFAOYSA-N 0 0 423.326 4.203 20 5 HIBDRN COc1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccc1OCCC(C)C ZINC000512948713 921432887 /nfs/dbraw/zinc/43/28/87/921432887.db2.gz PHBFNKUXAITHNF-UHFFFAOYSA-N 0 0 400.475 4.343 20 5 HIBDRN CCCN(CCC)C(=O)c1cccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000512955697 921436274 /nfs/dbraw/zinc/43/62/74/921436274.db2.gz SRZWHSGHYHIOIR-UHFFFAOYSA-N 0 0 411.502 4.172 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000499407932 908773362 /nfs/dbraw/zinc/77/33/62/908773362.db2.gz WUOCEZLYNUTIFW-VIFPVBQESA-N 0 0 416.327 4.316 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1(C(F)(F)F)CCC1 ZINC000499489435 908815091 /nfs/dbraw/zinc/81/50/91/908815091.db2.gz FIWBMIVPLJJKGJ-UHFFFAOYSA-N 0 0 402.316 4.307 20 5 HIBDRN O=C(Nc1cccc2oc(C(F)(F)F)nc21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000499527638 908830283 /nfs/dbraw/zinc/83/02/83/908830283.db2.gz MGINIAIYBUFPOX-UHFFFAOYSA-N 0 0 417.303 4.193 20 5 HIBDRN COc1ccc([C@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)cc1 ZINC000499544336 908835939 /nfs/dbraw/zinc/83/59/39/908835939.db2.gz MLTDWKUGFGYJFS-INIZCTEOSA-N 0 0 409.467 4.357 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(c2ccc(OC)cc2)[C@H](C)C2CC2)cc1OC ZINC000499599014 908851876 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ZINC000503183286 912157743 /nfs/dbraw/zinc/15/77/43/912157743.db2.gz VQACHPDOPPVVKI-FQEVSTJZSA-N 0 0 410.861 4.455 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000503211714 912191589 /nfs/dbraw/zinc/19/15/89/912191589.db2.gz SXRRXZSODAWCQY-UHFFFAOYSA-N 0 0 417.878 4.046 20 5 HIBDRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000506301204 914894412 /nfs/dbraw/zinc/89/44/12/914894412.db2.gz VYZSCTCERCBREP-UHFFFAOYSA-N 0 0 420.828 4.270 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000506301996 914894658 /nfs/dbraw/zinc/89/46/58/914894658.db2.gz YXLPBRRDIAKSRS-MRXNPFEDSA-N 0 0 403.307 4.013 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000506304380 914896123 /nfs/dbraw/zinc/89/61/23/914896123.db2.gz BEJUHRNHHOJYIV-UHFFFAOYSA-N 0 0 406.845 4.045 20 5 HIBDRN Cc1nc2sccn2c(=O)c1CCNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000506309259 914898899 /nfs/dbraw/zinc/89/88/99/914898899.db2.gz MTZAVVKSLTXZPS-UHFFFAOYSA-N 0 0 422.466 4.420 20 5 HIBDRN C[C@H]1CN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cn2)C[C@H](C)O1 ZINC000506318924 914917331 /nfs/dbraw/zinc/91/73/31/914917331.db2.gz WTTRSNLWONRWOJ-STQMWFEESA-N 0 0 412.471 4.070 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2ccc(CN3CCN(c4ncnc5sccc54)CC3)o2)c1 ZINC000506339900 914956379 /nfs/dbraw/zinc/95/63/79/914956379.db2.gz KOVQKVCMFUECGU-UHFFFAOYSA-N 0 0 421.482 4.182 20 5 HIBDRN CC(C)(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccccc1 ZINC000513360120 921735281 /nfs/dbraw/zinc/73/52/81/921735281.db2.gz YRUKEJMACLXOTK-UHFFFAOYSA-N 0 0 400.478 4.129 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)cc1OC ZINC000506435036 915037411 /nfs/dbraw/zinc/03/74/11/915037411.db2.gz WVPRKLONJWRLIB-ZDUSSCGKSA-N 0 0 422.865 4.138 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000506501526 915121145 /nfs/dbraw/zinc/12/11/45/915121145.db2.gz XILVAMYDZSKSBQ-HNNXBMFYSA-N 0 0 402.520 4.162 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCc1cc2ccccc2s1 ZINC000506527308 915169044 /nfs/dbraw/zinc/16/90/44/915169044.db2.gz AZEYEXMFIBZVHN-UHFFFAOYSA-N 0 0 419.300 4.473 20 5 HIBDRN Cc1cc(OCc2nnc(C(=O)Nc3ccc(F)cc3)s2)c(Cl)cc1[N+](=O)[O-] ZINC000506547615 915195259 /nfs/dbraw/zinc/19/52/59/915195259.db2.gz RTHUCPXQESOUQZ-UHFFFAOYSA-N 0 0 422.825 4.379 20 5 HIBDRN CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000506558402 915203322 /nfs/dbraw/zinc/20/33/22/915203322.db2.gz TYWPSYZPPQZEEU-UHFFFAOYSA-N 0 0 404.422 4.305 20 5 HIBDRN CC(=O)N[C@@H](C)CCc1ccc(C(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)cc1 ZINC000506557985 915203870 /nfs/dbraw/zinc/20/38/70/915203870.db2.gz ZRXUMMXGZBVMLN-AWEZNQCLSA-N 0 0 418.877 4.276 20 5 HIBDRN O=C(COc1c(Cl)cncc1[N+](=O)[O-])Nc1ccc(N2CCc3ccccc32)cc1 ZINC000506567791 915215901 /nfs/dbraw/zinc/21/59/01/915215901.db2.gz IYIINNIFPGQPGD-UHFFFAOYSA-N 0 0 424.844 4.355 20 5 HIBDRN Cc1ccc(NC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000506581300 915230489 /nfs/dbraw/zinc/23/04/89/915230489.db2.gz QMFBGNJNJSKNTP-OAHLLOKOSA-N 0 0 419.441 4.433 20 5 HIBDRN O=C(COc1c(Cl)cncc1[N+](=O)[O-])Nc1c(Cl)cccc1C(F)(F)F ZINC000506602673 915254921 /nfs/dbraw/zinc/25/49/21/915254921.db2.gz YCIXQYLXKUGXGN-UHFFFAOYSA-N 0 0 410.135 4.333 20 5 HIBDRN O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000506610224 915264080 /nfs/dbraw/zinc/26/40/80/915264080.db2.gz VMLAKPAERITNEV-UHFFFAOYSA-N 0 0 412.299 4.194 20 5 HIBDRN COc1ccc(CN(CC2CC2)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000506623897 915284159 /nfs/dbraw/zinc/28/41/59/915284159.db2.gz AKYMKPCRUGDSGT-UHFFFAOYSA-N 0 0 404.850 4.318 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000506641016 915311820 /nfs/dbraw/zinc/31/18/20/915311820.db2.gz DGSKSLSZRZAWHN-UHFFFAOYSA-N 0 0 405.454 4.414 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000506658019 915331372 /nfs/dbraw/zinc/33/13/72/915331372.db2.gz WMLZZRCYGHODGS-UHFFFAOYSA-N 0 0 419.441 4.081 20 5 HIBDRN O=C(NCCc1cc(C(F)(F)F)ccn1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000506778931 915500562 /nfs/dbraw/zinc/50/05/62/915500562.db2.gz NCAAHPQFMOVLTD-UHFFFAOYSA-N 0 0 411.383 4.068 20 5 HIBDRN Cc1cc(Br)ccc1NC(=O)CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000506808089 915557458 /nfs/dbraw/zinc/55/74/58/915557458.db2.gz VRKQJRVLBNHVKB-ALCCZGGFSA-N 0 0 418.291 4.249 20 5 HIBDRN O=C(NCCc1cc(C(F)(F)F)ccn1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000506819722 915582704 /nfs/dbraw/zinc/58/27/04/915582704.db2.gz MNYQYAPHKHIUNB-UHFFFAOYSA-N 0 0 416.359 4.043 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc(C(F)(F)F)ccn1 ZINC000506826427 915592886 /nfs/dbraw/zinc/59/28/86/915592886.db2.gz ZJNXTCJBVKCSLX-UHFFFAOYSA-N 0 0 413.421 4.483 20 5 HIBDRN COc1cc(CN(Cc2cc[nH]n2)Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000513416597 921785626 /nfs/dbraw/zinc/78/56/26/921785626.db2.gz OSBMCCFAGLHPKU-UHFFFAOYSA-N 0 0 418.400 4.130 20 5 HIBDRN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513429480 921800163 /nfs/dbraw/zinc/80/01/63/921800163.db2.gz UDSTXKVIFPQAMO-HNNXBMFYSA-N 0 0 416.499 4.002 20 5 HIBDRN COc1cc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000507077323 915855866 /nfs/dbraw/zinc/85/58/66/915855866.db2.gz KHSHXSKTQMQRGD-UHFFFAOYSA-N 0 0 418.877 4.360 20 5 HIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000507083024 915859489 /nfs/dbraw/zinc/85/94/89/915859489.db2.gz HBZIGJNGEQDVJC-UHFFFAOYSA-N 0 0 401.354 4.125 20 5 HIBDRN COc1ccc(C(=O)NCC(C)(C)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000507096698 915867608 /nfs/dbraw/zinc/86/76/08/915867608.db2.gz JHHRMUCRDLBYPY-UHFFFAOYSA-N 0 0 407.264 4.074 20 5 HIBDRN C[C@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C1 ZINC000507185091 915932058 /nfs/dbraw/zinc/93/20/58/915932058.db2.gz VQOGZYMDHXDGNV-UGSOOPFHSA-N 0 0 418.291 4.379 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000507277187 916040868 /nfs/dbraw/zinc/04/08/68/916040868.db2.gz HMFPCHVUHKOFJA-GOSISDBHSA-N 0 0 406.891 4.397 20 5 HIBDRN CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000507329381 916087745 /nfs/dbraw/zinc/08/77/45/916087745.db2.gz LKRNZONQAPFCOO-SGTLLEGYSA-N 0 0 403.866 4.340 20 5 HIBDRN Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000507451554 916221680 /nfs/dbraw/zinc/22/16/80/916221680.db2.gz UDWWMTKGVAJIAE-UHFFFAOYSA-N 0 0 421.475 4.203 20 5 HIBDRN Cc1ccc(S(=O)(=O)[N-]c2ccccc2C[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000507572126 916327353 /nfs/dbraw/zinc/32/73/53/916327353.db2.gz VQFSWPJDYYYLBQ-UHFFFAOYSA-N 0 0 417.531 4.469 20 5 HIBDRN O=[N+]([O-])c1cc(CSCc2ccn(-c3c(F)cccc3F)n2)c2c(c1)COCO2 ZINC000507643337 916402025 /nfs/dbraw/zinc/40/20/25/916402025.db2.gz JTBTWACLDIKTKD-UHFFFAOYSA-N 0 0 419.409 4.359 20 5 HIBDRN CS(=O)(=O)c1cc(SCCOc2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000507644026 916402442 /nfs/dbraw/zinc/40/24/42/916402442.db2.gz MFGFTGUEWOQJPJ-UHFFFAOYSA-N 0 0 403.481 4.323 20 5 HIBDRN C[C@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000507673580 916441716 /nfs/dbraw/zinc/44/17/16/916441716.db2.gz OWUFPIHDPKEYFR-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000507728910 916523473 /nfs/dbraw/zinc/52/34/73/916523473.db2.gz YKWIVDLAMVYUMB-UHYGZKCKSA-N 0 0 412.408 4.423 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CS(=O)(=O)c2nc(-c3ccc(F)cc3)cs2)c(F)c1 ZINC000507832430 916632896 /nfs/dbraw/zinc/63/28/96/916632896.db2.gz BGCHIKNOXQWFIJ-UHFFFAOYSA-N 0 0 414.386 4.110 20 5 HIBDRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000507858985 916691241 /nfs/dbraw/zinc/69/12/41/916691241.db2.gz JIBZCZVEHBDGAN-UHFFFAOYSA-N 0 0 410.242 4.423 20 5 HIBDRN Cc1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)ccc1[N+](=O)[O-] ZINC000507885250 916727960 /nfs/dbraw/zinc/72/79/60/916727960.db2.gz CPLYHGLBWBFECL-UHFFFAOYSA-N 0 0 422.403 4.400 20 5 HIBDRN COc1cc([C@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1OCC(C)C ZINC000507894388 916749353 /nfs/dbraw/zinc/74/93/53/916749353.db2.gz IOVRDTXPBXDHNP-HNNXBMFYSA-N 0 0 416.474 4.356 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507921075 916800357 /nfs/dbraw/zinc/80/03/57/916800357.db2.gz OQLGKLJHRCGRFJ-CYBMUJFWSA-N 0 0 406.357 4.014 20 5 HIBDRN COc1cc(C(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000507960609 916816400 /nfs/dbraw/zinc/81/64/00/916816400.db2.gz FTFYMIOZUZNFJR-UHFFFAOYSA-N 0 0 422.441 4.003 20 5 HIBDRN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000507965682 916818304 /nfs/dbraw/zinc/81/83/04/916818304.db2.gz CLUQTBCOPMVIAF-SNVBAGLBSA-N 0 0 402.756 4.464 20 5 HIBDRN Cc1sc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-] ZINC000507975264 916825476 /nfs/dbraw/zinc/82/54/76/916825476.db2.gz IIVWVQTZGBUKTD-ZDUSSCGKSA-N 0 0 416.434 4.174 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2Br)c([N+](=O)[O-])c1 ZINC000507992436 916834166 /nfs/dbraw/zinc/83/41/66/916834166.db2.gz OSDQPLRSQTUUII-LBPRGKRZSA-N 0 0 413.293 4.047 20 5 HIBDRN COC(=O)c1cc(-c2nc(-c3ccc(F)cc3C(F)(F)F)no2)cc([N+](=O)[O-])c1 ZINC000508026686 916860808 /nfs/dbraw/zinc/86/08/08/916860808.db2.gz KJIDOKAAQLGOGK-UHFFFAOYSA-N 0 0 411.267 4.256 20 5 HIBDRN COC(=O)[C@@]1(C)CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000508095596 916911282 /nfs/dbraw/zinc/91/12/82/916911282.db2.gz JVIULCOZMLCSEJ-NRFANRHFSA-N 0 0 414.483 4.080 20 5 HIBDRN COC(=O)c1oc(COc2c3cc(Br)ccc3ncc2[N+](=O)[O-])cc1C ZINC000508148798 916969762 /nfs/dbraw/zinc/96/97/62/916969762.db2.gz ICUBYMVSYBAMRQ-UHFFFAOYSA-N 0 0 421.203 4.173 20 5 HIBDRN COc1ccccc1C(=O)COc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000508158248 916978476 /nfs/dbraw/zinc/97/84/76/916978476.db2.gz CYKAKUADSAZVIB-UHFFFAOYSA-N 0 0 417.215 4.176 20 5 HIBDRN Cc1c(CNC(=O)C(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000508458753 917243436 /nfs/dbraw/zinc/24/34/36/917243436.db2.gz RUWYCGKJIQYPRR-GOSISDBHSA-N 0 0 417.893 4.076 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000508527899 917311050 /nfs/dbraw/zinc/31/10/50/917311050.db2.gz NFXKCFNXPJQOJE-UHFFFAOYSA-N 0 0 406.442 4.012 20 5 HIBDRN Cc1ccc(NC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)cc1[N+](=O)[O-] ZINC000508531506 917313112 /nfs/dbraw/zinc/31/31/12/917313112.db2.gz PIDPSEUNEABQHN-UHFFFAOYSA-N 0 0 406.442 4.012 20 5 HIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000508767948 917522388 /nfs/dbraw/zinc/52/23/88/917522388.db2.gz ZRHQXUSKDHZWOT-MRXNPFEDSA-N 0 0 413.865 4.092 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)ccc1[N+](=O)[O-] ZINC000508785026 917539546 /nfs/dbraw/zinc/53/95/46/917539546.db2.gz OSEMCDMBOWVZHM-UHFFFAOYSA-N 0 0 409.364 4.475 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000508807604 917562293 /nfs/dbraw/zinc/56/22/93/917562293.db2.gz VWVLCZBFNCKPDQ-CQSZACIVSA-N 0 0 415.343 4.235 20 5 HIBDRN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccc(-n2cccn2)c(F)c1 ZINC000508817761 917571622 /nfs/dbraw/zinc/57/16/22/917571622.db2.gz LAFULUXCBLFRAS-NSHDSACASA-N 0 0 422.338 4.429 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000508944705 917702290 /nfs/dbraw/zinc/70/22/90/917702290.db2.gz ZLCVDTXIOFLZQT-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN COc1cc(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000508951597 917708174 /nfs/dbraw/zinc/70/81/74/917708174.db2.gz SYYMMTCKWXNVOH-GOSISDBHSA-N 0 0 410.401 4.293 20 5 HIBDRN COc1cc(C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000508976039 917730184 /nfs/dbraw/zinc/73/01/84/917730184.db2.gz CPCKUBDQURBEPE-UHFFFAOYSA-N 0 0 401.419 4.354 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)ccc1[N+](=O)[O-] ZINC000508989263 917743805 /nfs/dbraw/zinc/74/38/05/917743805.db2.gz WXRMKRBOLXQGNC-UHFFFAOYSA-N 0 0 415.789 4.354 20 5 HIBDRN O=C(N[C@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1)c1cc2ccccc2o1 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HIBDRN NC(=O)c1ccc(CNc2ccc(C(F)(F)F)c(Br)c2)c([N+](=O)[O-])c1 ZINC000526047492 930514404 /nfs/dbraw/zinc/51/44/04/930514404.db2.gz BRKFPAVBZDPQND-UHFFFAOYSA-N 0 0 418.169 4.087 20 5 HIBDRN C[C@H](Oc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cn1)c1ccccc1 ZINC000526072329 930520492 /nfs/dbraw/zinc/52/04/92/930520492.db2.gz WUZWVJKXDPMJAF-INIZCTEOSA-N 0 0 419.437 4.033 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000526810324 930546261 /nfs/dbraw/zinc/54/62/61/930546261.db2.gz CDINCRAECOONTB-UHFFFAOYSA-N 0 0 405.458 4.455 20 5 HIBDRN O=C(Nc1cc(Br)c(F)cc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000526965160 930558681 /nfs/dbraw/zinc/55/86/81/930558681.db2.gz DWTOMCRWXLTKGH-UHFFFAOYSA-N 0 0 412.190 4.226 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000527064800 930579168 /nfs/dbraw/zinc/57/91/68/930579168.db2.gz WJHDVQYWHMNFLO-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000527154041 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938575719 /nfs/dbraw/zinc/57/57/19/938575719.db2.gz XLUZHNSEETZLOS-SJORKVTESA-N 0 0 409.467 4.493 20 5 HIBDRN Cc1ccc([C@H](C)NCc2csc(CC(=O)Nc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000538279985 938582551 /nfs/dbraw/zinc/58/25/51/938582551.db2.gz SHFYPLJLCFVUCV-HNNXBMFYSA-N 0 0 410.499 4.392 20 5 HIBDRN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538313197 938590467 /nfs/dbraw/zinc/59/04/67/938590467.db2.gz NAYBJMTXHVAFKV-UHFFFAOYSA-N 0 0 416.437 4.110 20 5 HIBDRN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)C1 ZINC000538329675 938594640 /nfs/dbraw/zinc/59/46/40/938594640.db2.gz NUHOIQXUUPJCJK-CABCVRRESA-N 0 0 423.498 4.191 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(Cc1ccco1)Cc1cccnc1 ZINC000538388516 938608740 /nfs/dbraw/zinc/60/87/40/938608740.db2.gz GJDMYLIEDJZZRU-UHFFFAOYSA-N 0 0 414.421 4.487 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1 ZINC000538400465 938611626 /nfs/dbraw/zinc/61/16/26/938611626.db2.gz XDONQNLJZULEAM-UHFFFAOYSA-N 0 0 417.425 4.021 20 5 HIBDRN COc1ccccc1-c1csc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])n1 ZINC000538412752 938614720 /nfs/dbraw/zinc/61/47/20/938614720.db2.gz OQVCXQQMLWCFRB-UHFFFAOYSA-N 0 0 413.455 4.443 20 5 HIBDRN Cc1ccccc1-c1csc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000538450892 938625283 /nfs/dbraw/zinc/62/52/83/938625283.db2.gz VLTGFCUFCGXKRI-UHFFFAOYSA-N 0 0 424.482 4.116 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000538483184 938632084 /nfs/dbraw/zinc/63/20/84/938632084.db2.gz COJHSHPZULWRBZ-AUUYWEPGSA-N 0 0 407.470 4.258 20 5 HIBDRN Cc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nn1-c1ccc(F)cc1 ZINC000538556141 938648189 /nfs/dbraw/zinc/64/81/89/938648189.db2.gz HBIYTQPEWQWNGN-HXUWFJFHSA-N 0 0 412.446 4.116 20 5 HIBDRN COc1cc(C(=O)N2CCCc3c(Br)ccc(C)c32)ccc1[N+](=O)[O-] ZINC000538557384 938648406 /nfs/dbraw/zinc/64/84/06/938648406.db2.gz MBDJHZGSSVYWPZ-UHFFFAOYSA-N 0 0 405.248 4.267 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000538562631 938650121 /nfs/dbraw/zinc/65/01/21/938650121.db2.gz AUIXXWLTYNUVNI-UHFFFAOYSA-N 0 0 420.512 4.069 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1 ZINC000538568508 938651459 /nfs/dbraw/zinc/65/14/59/938651459.db2.gz LCLSIICWIZLQLK-NJNLUCQBSA-N 0 0 412.577 4.297 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(OC)c(O)c(OC)c1 ZINC000538574679 938653404 /nfs/dbraw/zinc/65/34/04/938653404.db2.gz PFKDPMGBSBTBAC-UHFFFAOYSA-N 0 0 420.487 4.140 20 5 HIBDRN CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCCC)C1 ZINC000538586343 938655765 /nfs/dbraw/zinc/65/57/65/938655765.db2.gz UOINSBWFHWYVMM-MRXNPFEDSA-N 0 0 421.563 4.256 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)cc1[N+](=O)[O-] ZINC000538626115 938665843 /nfs/dbraw/zinc/66/58/43/938665843.db2.gz LYBJVGNZVWDPRD-UHFFFAOYSA-N 0 0 415.837 4.073 20 5 HIBDRN CC(C)(C)c1noc2ncc(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc21 ZINC000538695489 938685841 /nfs/dbraw/zinc/68/58/41/938685841.db2.gz ORTNQJWZZFMYSN-UHFFFAOYSA-N 0 0 402.838 4.054 20 5 HIBDRN O=C(COc1cccc(C(F)(F)F)c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538700758 938686642 /nfs/dbraw/zinc/68/66/42/938686642.db2.gz OCQHBADJWVUQFD-UHFFFAOYSA-N 0 0 402.756 4.005 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000563476755 945196526 /nfs/dbraw/zinc/19/65/26/945196526.db2.gz NMLUVVSTOXVJLL-FGTMMUONSA-N 0 0 400.862 4.201 20 5 HIBDRN CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H](C)CS(=O)(=O)CC ZINC000538732679 938695679 /nfs/dbraw/zinc/69/56/79/938695679.db2.gz HUPLMFPVNWWDMV-CYBMUJFWSA-N 0 0 414.911 4.153 20 5 HIBDRN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000538796402 938714653 /nfs/dbraw/zinc/71/46/53/938714653.db2.gz FBBMSCADRSPUKX-HOTGVXAUSA-N 0 0 411.477 4.485 20 5 HIBDRN COc1ccccc1COC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000538801508 938716197 /nfs/dbraw/zinc/71/61/97/938716197.db2.gz STYVNPTUSQFVDT-UHFFFAOYSA-N 0 0 410.426 4.171 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000538812446 938719361 /nfs/dbraw/zinc/71/93/61/938719361.db2.gz PTOPZFBDYFYHIO-KRWDZBQOSA-N 0 0 415.877 4.051 20 5 HIBDRN Cn1cc(CNc2cccc(NC(=O)c3ccoc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538834056 938722353 /nfs/dbraw/zinc/72/23/53/938722353.db2.gz PEMMWFZGQGJCIU-UHFFFAOYSA-N 0 0 417.425 4.453 20 5 HIBDRN CC(C)(NC(=O)Cc1cccc(OCc2cccnc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000538860339 938726745 /nfs/dbraw/zinc/72/67/45/938726745.db2.gz MYEDTYASQOPHTC-UHFFFAOYSA-N 0 0 405.454 4.163 20 5 HIBDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000563483862 945200763 /nfs/dbraw/zinc/20/07/63/945200763.db2.gz XAWBXDNBVRGBAX-UHFFFAOYSA-N 0 0 404.291 4.487 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000538960874 938751485 /nfs/dbraw/zinc/75/14/85/938751485.db2.gz WGWPPLGZZPKKAH-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN CCc1ccc(C2=CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC2)cc1 ZINC000538991339 938762264 /nfs/dbraw/zinc/76/22/64/938762264.db2.gz MLMCYTDULBSXSB-UHFFFAOYSA-N 0 0 402.454 4.272 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000538991949 938762605 /nfs/dbraw/zinc/76/26/05/938762605.db2.gz TZLIYVVXCDVVEL-WBVHZDCISA-N 0 0 424.423 4.351 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000538991947 938762750 /nfs/dbraw/zinc/76/27/50/938762750.db2.gz TZLIYVVXCDVVEL-NVXWUHKLSA-N 0 0 424.423 4.351 20 5 HIBDRN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000539017521 938769949 /nfs/dbraw/zinc/76/99/49/938769949.db2.gz LFZRXQDTKUWSGX-UHFFFAOYSA-N 0 0 422.363 4.269 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000539029493 938773711 /nfs/dbraw/zinc/77/37/11/938773711.db2.gz CZGRXBNGHLELDL-GUYCJALGSA-N 0 0 407.373 4.096 20 5 HIBDRN COc1cc(C(=O)N[C@]2(C)CCCOC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539036226 938776590 /nfs/dbraw/zinc/77/65/90/938776590.db2.gz XQCUANIQQSIUII-HXUWFJFHSA-N 0 0 420.849 4.348 20 5 HIBDRN COc1ccccc1[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000539059543 938787361 /nfs/dbraw/zinc/78/73/61/938787361.db2.gz PPDPCESDFUUYAW-QRQCRPRQSA-N 0 0 409.442 4.293 20 5 HIBDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000539141889 938810210 /nfs/dbraw/zinc/81/02/10/938810210.db2.gz PNRIDWVXNDRYIM-PXAZEXFGSA-N 0 0 407.264 4.172 20 5 HIBDRN CCCN1C(=O)CCc2cc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000539157793 938813725 /nfs/dbraw/zinc/81/37/25/938813725.db2.gz HIVRMKDWPYYARF-AWEZNQCLSA-N 0 0 413.499 4.403 20 5 HIBDRN CCOc1c(Cl)cc(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000539193981 938817656 /nfs/dbraw/zinc/81/76/56/938817656.db2.gz JUWMQCHJQMZELW-GFCCVEGCSA-N 0 0 407.854 4.216 20 5 HIBDRN C[C@H](NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000539250939 938826032 /nfs/dbraw/zinc/82/60/32/938826032.db2.gz NUVUJCYLPDJITA-HNNXBMFYSA-N 0 0 410.474 4.284 20 5 HIBDRN C[C@@H](NC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000539258419 938828270 /nfs/dbraw/zinc/82/82/70/938828270.db2.gz UUQFTVGMJRUSJD-SNVBAGLBSA-N 0 0 421.244 4.365 20 5 HIBDRN CCOc1ccc(NC(=O)CN[C@H](CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000539278171 938832251 /nfs/dbraw/zinc/83/22/51/938832251.db2.gz GAVVQVHCHPXZDR-MRXNPFEDSA-N 0 0 411.380 4.215 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Cn1cccn1 ZINC000539297899 938836162 /nfs/dbraw/zinc/83/61/62/938836162.db2.gz PJMIAWLAPZQRQT-UHFFFAOYSA-N 0 0 410.499 4.270 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000539308633 938838347 /nfs/dbraw/zinc/83/83/47/938838347.db2.gz MJSHXDCKZOHVFK-AWEZNQCLSA-N 0 0 419.503 4.191 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000539350911 938846623 /nfs/dbraw/zinc/84/66/23/938846623.db2.gz CJGCDVVERQSEIL-GOSISDBHSA-N 0 0 404.463 4.448 20 5 HIBDRN CC(=O)Nc1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)ccc1F ZINC000539352372 938846812 /nfs/dbraw/zinc/84/68/12/938846812.db2.gz HITZZVWAHJNTRQ-UHFFFAOYSA-N 0 0 414.418 4.092 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)c2cccnc2)CC1 ZINC000539352365 938846823 /nfs/dbraw/zinc/84/68/23/938846823.db2.gz GZSNLRXYFLWFCY-INIZCTEOSA-N 0 0 414.531 4.009 20 5 HIBDRN C[C@H](Oc1cccc(F)c1)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539355722 938847329 /nfs/dbraw/zinc/84/73/29/938847329.db2.gz OQYXLAPLXYUXRI-LBPRGKRZSA-N 0 0 401.419 4.288 20 5 HIBDRN COc1ccccc1O[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000539355581 938847379 /nfs/dbraw/zinc/84/73/79/938847379.db2.gz HCYSBOBXQMWWFB-CQSZACIVSA-N 0 0 404.488 4.301 20 5 HIBDRN COc1ccc(CC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000539418301 938857556 /nfs/dbraw/zinc/85/75/56/938857556.db2.gz DLCDHHMXGFRFEJ-UHFFFAOYSA-N 0 0 402.410 4.124 20 5 HIBDRN O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000539444825 938861595 /nfs/dbraw/zinc/86/15/95/938861595.db2.gz NGBZNFIWFZXKGJ-HOCLYGCPSA-N 0 0 416.302 4.152 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000539446247 938861922 /nfs/dbraw/zinc/86/19/22/938861922.db2.gz FMNZCDAFQZDOIH-MRXNPFEDSA-N 0 0 407.430 4.044 20 5 HIBDRN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000539483272 938866942 /nfs/dbraw/zinc/86/69/42/938866942.db2.gz RGROISXQRMVQLJ-QGZVFWFLSA-N 0 0 422.872 4.319 20 5 HIBDRN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000539524871 938873225 /nfs/dbraw/zinc/87/32/25/938873225.db2.gz SMQVOZILKMVICI-SFHVURJKSA-N 0 0 422.485 4.021 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c1 ZINC000539527901 938873508 /nfs/dbraw/zinc/87/35/08/938873508.db2.gz ACBJAOGZIFUIPM-UHFFFAOYSA-N 0 0 414.458 4.195 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000539538863 938875771 /nfs/dbraw/zinc/87/57/71/938875771.db2.gz XCTRUMAQRYSQKB-DZGCQCFKSA-N 0 0 405.907 4.124 20 5 HIBDRN COCc1nnc(-c2cccc(C(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)c2)o1 ZINC000539541115 938876559 /nfs/dbraw/zinc/87/65/59/938876559.db2.gz CADTXUJBMHSYEE-UHFFFAOYSA-N 0 0 422.441 4.381 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000539557352 938879476 /nfs/dbraw/zinc/87/94/76/938879476.db2.gz PBHVFMGVWLOYIU-DZGCQCFKSA-N 0 0 417.487 4.079 20 5 HIBDRN O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCCC2(C1)CCCCCC2 ZINC000539562366 938880395 /nfs/dbraw/zinc/88/03/95/938880395.db2.gz FHQDZQJFPLXALG-UHFFFAOYSA-N 0 0 401.507 4.008 20 5 HIBDRN O=C(Nc1cnccc1-n1cccn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000539623967 938889570 /nfs/dbraw/zinc/88/95/70/938889570.db2.gz ZFOSDCWXSLHFMR-UHFFFAOYSA-N 0 0 414.425 4.040 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)NC)ccc1C ZINC000539637912 938892030 /nfs/dbraw/zinc/89/20/30/938892030.db2.gz FSNYPBHZLWEPAK-UHFFFAOYSA-N 0 0 401.488 4.407 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000539669493 938897778 /nfs/dbraw/zinc/89/77/78/938897778.db2.gz KRVZCCPXZGRUII-CQSZACIVSA-N 0 0 408.520 4.291 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000539738949 938917550 /nfs/dbraw/zinc/91/75/50/938917550.db2.gz NJHKKMDQFGKCMR-VIFPVBQESA-N 0 0 401.772 4.125 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539744835 938918881 /nfs/dbraw/zinc/91/88/81/938918881.db2.gz XCZIPLBPLQSCAX-GOSISDBHSA-N 0 0 411.506 4.099 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539752781 938921595 /nfs/dbraw/zinc/92/15/95/938921595.db2.gz RATHSGJADKKKDA-OAHLLOKOSA-N 0 0 422.489 4.262 20 5 HIBDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000539793954 938936220 /nfs/dbraw/zinc/93/62/20/938936220.db2.gz SNDGZTOSHBFBKN-LBPRGKRZSA-N 0 0 421.906 4.046 20 5 HIBDRN COc1ccc(-c2ccc(CN3CCO[C@@H](c4ccsc4)C3)o2)c([N+](=O)[O-])c1 ZINC000539849325 938957028 /nfs/dbraw/zinc/95/70/28/938957028.db2.gz GSWMOAYOICHVJA-HXUWFJFHSA-N 0 0 400.456 4.498 20 5 HIBDRN COc1ccccc1COC1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000539876522 938963599 /nfs/dbraw/zinc/96/35/99/938963599.db2.gz JOGRKTYRMCZJMS-MRXNPFEDSA-N 0 0 413.474 4.055 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nccn1CCCc1ccccc1 ZINC000539880460 938965061 /nfs/dbraw/zinc/96/50/61/938965061.db2.gz FHIDRWVRXYCTMO-UHFFFAOYSA-N 0 0 406.486 4.279 20 5 HIBDRN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000539890835 938968061 /nfs/dbraw/zinc/96/80/61/938968061.db2.gz ILOOFQWPINREST-UHFFFAOYSA-N 0 0 400.263 4.378 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000539893489 938969198 /nfs/dbraw/zinc/96/91/98/938969198.db2.gz SJCLJIMPGKYBMF-UHFFFAOYSA-N 0 0 419.522 4.415 20 5 HIBDRN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@@H]2C1 ZINC000539901128 938973604 /nfs/dbraw/zinc/97/36/04/938973604.db2.gz OYUGAMXFVQJTPJ-LXGCGDOSSA-N 0 0 406.866 4.277 20 5 HIBDRN C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000539964527 938982055 /nfs/dbraw/zinc/98/20/55/938982055.db2.gz QTCLGPIIYFGDQH-LBPRGKRZSA-N 0 0 404.879 4.441 20 5 HIBDRN COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])c(OC(F)F)c3)n2C)cc1 ZINC000539994580 939032506 /nfs/dbraw/zinc/03/25/06/939032506.db2.gz MGVXAWNQLDLIFE-UHFFFAOYSA-N 0 0 408.386 4.152 20 5 HIBDRN C[C@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CCO1 ZINC000540025646 939042282 /nfs/dbraw/zinc/04/22/82/939042282.db2.gz YFSIQOYWKONFCJ-LSDHHAIUSA-N 0 0 417.893 4.405 20 5 HIBDRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000540097034 939069475 /nfs/dbraw/zinc/06/94/75/939069475.db2.gz WALMNHFXOGFUFY-BTYIYWSLSA-N 0 0 413.474 4.054 20 5 HIBDRN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000540251226 939169072 /nfs/dbraw/zinc/16/90/72/939169072.db2.gz RUMHIYOGFFGGGX-YJBOKZPZSA-N 0 0 403.797 4.129 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000540252327 939170026 /nfs/dbraw/zinc/17/00/26/939170026.db2.gz HMHMLAQEZKHWPH-DOTOQJQBSA-N 0 0 410.854 4.369 20 5 HIBDRN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OCc2cccnc2)cc1 ZINC000540325654 939195133 /nfs/dbraw/zinc/19/51/33/939195133.db2.gz RSXVIGUKCZMFIQ-MRXNPFEDSA-N 0 0 421.453 4.286 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000540354131 939204728 /nfs/dbraw/zinc/20/47/28/939204728.db2.gz MFBBZOAZFGGHEA-INIZCTEOSA-N 0 0 423.469 4.437 20 5 HIBDRN O=C(CN[C@H](CC(F)(F)F)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000540374869 939215310 /nfs/dbraw/zinc/21/53/10/939215310.db2.gz TZKKSJJNUGFABG-OAHLLOKOSA-N 0 0 401.772 4.470 20 5 HIBDRN Cc1ccccc1-c1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000540420291 939242403 /nfs/dbraw/zinc/24/24/03/939242403.db2.gz TVROGWALXOANNC-UHFFFAOYSA-N 0 0 420.347 4.487 20 5 HIBDRN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OCC2CC2)c(F)c1 ZINC000540425160 939244329 /nfs/dbraw/zinc/24/43/29/939244329.db2.gz WEUGGVSYUBSLIF-ZDUSSCGKSA-N 0 0 402.422 4.240 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000540438931 939250209 /nfs/dbraw/zinc/25/02/09/939250209.db2.gz FNGBVESLQRZEFQ-UHFFFAOYSA-N 0 0 422.890 4.450 20 5 HIBDRN CN(C(=O)c1ccn(-c2ccccc2F)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540451661 939254946 /nfs/dbraw/zinc/25/49/46/939254946.db2.gz VSOKHSIJOYAVKW-UHFFFAOYSA-N 0 0 423.429 4.320 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)CCc1ccc2[nH]ccc2c1)c1ccccc1[N+](=O)[O-] ZINC000540463914 939262881 /nfs/dbraw/zinc/26/28/81/939262881.db2.gz ZHKWWRMYLULNCR-FQEVSTJZSA-N 0 0 423.469 4.208 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1 ZINC000540481783 939269850 /nfs/dbraw/zinc/26/98/50/939269850.db2.gz MHJKFSJJXHRTNG-UHFFFAOYSA-N 0 0 419.865 4.381 20 5 HIBDRN COCCOc1ccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1F ZINC000540514500 939284276 /nfs/dbraw/zinc/28/42/76/939284276.db2.gz WVZSWGRXVBWXEB-UHFFFAOYSA-N 0 0 411.389 4.073 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000540530782 939291960 /nfs/dbraw/zinc/29/19/60/939291960.db2.gz LYLQZWMOVAECGS-SOZUMNATSA-N 0 0 410.829 4.047 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000540530776 939292113 /nfs/dbraw/zinc/29/21/13/939292113.db2.gz LYLQZWMOVAECGS-IUUKEHGRSA-N 0 0 410.829 4.047 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000540533034 939293453 /nfs/dbraw/zinc/29/34/53/939293453.db2.gz UJTSVDDPOKBWLZ-SNVBAGLBSA-N 0 0 416.331 4.152 20 5 HIBDRN CCSc1cccc(Br)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000563662367 945242714 /nfs/dbraw/zinc/24/27/14/945242714.db2.gz ZRCQXFLQJFDLHU-UHFFFAOYSA-N 0 0 417.306 4.270 20 5 HIBDRN O=[N+]([O-])c1ccccc1/C=C/CNCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540602047 939316493 /nfs/dbraw/zinc/31/64/93/939316493.db2.gz CSLGBJPADPOMPL-HWKANZROSA-N 0 0 411.771 4.113 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c1 ZINC000540611271 939319917 /nfs/dbraw/zinc/31/99/17/939319917.db2.gz HIAFGXJUNPVGLG-INIZCTEOSA-N 0 0 418.421 4.008 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000540619834 939321750 /nfs/dbraw/zinc/32/17/50/939321750.db2.gz RFJXBLNPFLDOPJ-UHFFFAOYSA-N 0 0 418.877 4.396 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000540628183 939323239 /nfs/dbraw/zinc/32/32/39/939323239.db2.gz UDNLUUOPLPHBRT-UHFFFAOYSA-N 0 0 423.263 4.472 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC1(c2ccncc2)CCCC1 ZINC000540697272 939342372 /nfs/dbraw/zinc/34/23/72/939342372.db2.gz GPKQHOWWBVUNSZ-UHFFFAOYSA-N 0 0 403.866 4.040 20 5 HIBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000540728428 939351165 /nfs/dbraw/zinc/35/11/65/939351165.db2.gz IXIJLEUWGKSIHQ-UHFFFAOYSA-N 0 0 412.258 4.169 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000540759529 939362613 /nfs/dbraw/zinc/36/26/13/939362613.db2.gz WVJOQKXIFQGLJS-UHFFFAOYSA-N 0 0 404.382 4.206 20 5 HIBDRN Cc1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nn1-c1cccc(Cl)c1 ZINC000540787516 939372271 /nfs/dbraw/zinc/37/22/71/939372271.db2.gz PYANIEYEHQIUIB-UHFFFAOYSA-N 0 0 422.832 4.180 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000540790385 939373419 /nfs/dbraw/zinc/37/34/19/939373419.db2.gz JEIPFBGRUQZELW-UHFFFAOYSA-N 0 0 401.488 4.441 20 5 HIBDRN CC(C)N1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540799257 939376383 /nfs/dbraw/zinc/37/63/83/939376383.db2.gz CZRYQOKHRXPZEW-HKUYNNGSSA-N 0 0 405.857 4.341 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000540811277 939380025 /nfs/dbraw/zinc/38/00/25/939380025.db2.gz HNZAQPMRDBXQQG-IBGZPJMESA-N 0 0 423.473 4.470 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000540819633 939383104 /nfs/dbraw/zinc/38/31/04/939383104.db2.gz YFQMXKITEUFYDY-CYBMUJFWSA-N 0 0 411.336 4.371 20 5 HIBDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000540824870 939385625 /nfs/dbraw/zinc/38/56/25/939385625.db2.gz JRYOIVQVRGPJJU-QRWLVFNGSA-N 0 0 405.520 4.376 20 5 HIBDRN CC(C)OCc1ccccc1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000540908910 939415032 /nfs/dbraw/zinc/41/50/32/939415032.db2.gz JSHUDZHJQGOLSM-UHFFFAOYSA-N 0 0 405.882 4.215 20 5 HIBDRN Cc1sc([C@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000540978410 939423670 /nfs/dbraw/zinc/42/36/70/939423670.db2.gz XBOCNTIZTLPVOS-JTQLQIEISA-N 0 0 417.878 4.380 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000540998581 939428377 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4.030 20 5 HIBDRN CCc1ccc(-c2nc(Cc3ccc(OC)c(OC)c3Cl)no2)cc1[N+](=O)[O-] ZINC000546359576 940801539 /nfs/dbraw/zinc/80/15/39/940801539.db2.gz ZZSQLDCHKLBOSF-UHFFFAOYSA-N 0 0 403.822 4.469 20 5 HIBDRN CCOc1ccc(/C=C/c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1OC ZINC000546375863 940805062 /nfs/dbraw/zinc/80/50/62/940805062.db2.gz DLCMNQAAWRRXJN-PKNBQFBNSA-N 0 0 410.430 4.210 20 5 HIBDRN CCOc1ccc(-c2nc(Cc3ccc(OC)c(OC(F)F)c3)no2)cc1[N+](=O)[O-] ZINC000546379251 940805877 /nfs/dbraw/zinc/80/58/77/940805877.db2.gz WNAZCAMAVZRBNJ-UHFFFAOYSA-N 0 0 421.356 4.244 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cccc(NC(=O)c3cccnc3)c2)n1 ZINC000546404058 940812263 /nfs/dbraw/zinc/81/22/63/940812263.db2.gz JCIVOCAZXAMJIR-UHFFFAOYSA-N 0 0 401.382 4.268 20 5 HIBDRN COc1cc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)ccc1F ZINC000546409729 940813371 /nfs/dbraw/zinc/81/33/71/940813371.db2.gz YWXCSLVYWWSYSU-UHFFFAOYSA-N 0 0 401.397 4.401 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc([C@@H]3OCCc4ccccc43)no2)c2ccccc12 ZINC000546429590 940818068 /nfs/dbraw/zinc/81/80/68/940818068.db2.gz OFNWXPPZNLKKFV-XMMPIXPASA-N 0 0 409.445 4.248 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(COCCc3ccccc3)n2)c(Br)c1 ZINC000546449222 940822762 /nfs/dbraw/zinc/82/27/62/940822762.db2.gz AZBMVMQNRDEAJI-UHFFFAOYSA-N 0 0 418.247 4.090 20 5 HIBDRN CCOC(=O)c1cc(-c2nc(Cc3c[nH]c4ccc(F)cc34)no2)cc([N+](=O)[O-])c1 ZINC000546458158 940825173 /nfs/dbraw/zinc/82/51/73/940825173.db2.gz FBISFGSESNMLGY-UHFFFAOYSA-N 0 0 410.361 4.033 20 5 HIBDRN Cc1nn(C)c(-c2nc(-c3ccc(Oc4ccccc4F)c(F)c3)no2)c1[N+](=O)[O-] ZINC000546466846 940827840 /nfs/dbraw/zinc/82/78/40/940827840.db2.gz GOXVDTDAUIREMA-UHFFFAOYSA-N 0 0 413.340 4.424 20 5 HIBDRN COc1cc(Cc2noc(CCc3ncc(-c4ccccc4F)o3)n2)ccc1[N+](=O)[O-] ZINC000546468277 940828168 /nfs/dbraw/zinc/82/81/68/940828168.db2.gz OKYWILLDQVRKPD-UHFFFAOYSA-N 0 0 424.388 4.157 20 5 HIBDRN COCc1c(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)sc2cccc(F)c21 ZINC000546488197 940833715 /nfs/dbraw/zinc/83/37/15/940833715.db2.gz CKDCENMILPRJIJ-UHFFFAOYSA-N 0 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ZINC000546664530 940867178 /nfs/dbraw/zinc/86/71/78/940867178.db2.gz HNPVYLQLOLFKDB-UHFFFAOYSA-N 0 0 400.822 4.393 20 5 HIBDRN Cc1cccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000546812452 940886873 /nfs/dbraw/zinc/88/68/73/940886873.db2.gz BUOOKRLERSDNLU-UHFFFAOYSA-N 0 0 419.275 4.349 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCC[C@H]3CCCCO3)cc2[N+](=O)[O-])C1 ZINC000546868893 940898548 /nfs/dbraw/zinc/89/85/48/940898548.db2.gz HFRRRNMSIGTSGO-ZHALLVOQSA-N 0 0 403.523 4.156 20 5 HIBDRN CCc1ccc([C@@H](N[C@@H]2CCCc3cn(CCOC)nc32)c2ccc([N+](=O)[O-])cc2)o1 ZINC000546930214 940917119 /nfs/dbraw/zinc/91/71/19/940917119.db2.gz CCOPRFCAYMRGDM-OFNKIYASSA-N 0 0 424.501 4.350 20 5 HIBDRN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](c1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000546964708 940929786 /nfs/dbraw/zinc/92/97/86/940929786.db2.gz MAWOSGTYZLQUCR-NSHDSACASA-N 0 0 405.336 4.035 20 5 HIBDRN Cc1ccc(-c2noc([C@@H]3CCCN(c4ncnc5sccc54)C3)n2)cc1[N+](=O)[O-] ZINC000546983396 940937904 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O=[N+]([O-])c1ccc2[nH]cc(-c3nc(Cc4ccc(Oc5ncccn5)cc4)no3)c2c1 ZINC000547096150 940993891 /nfs/dbraw/zinc/99/38/91/940993891.db2.gz NZOGDZVJNLLAOK-UHFFFAOYSA-N 0 0 414.381 4.299 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-n4cccn4)c3)no2)c(Br)c1 ZINC000547103212 940996671 /nfs/dbraw/zinc/99/66/71/940996671.db2.gz DQUUOLPHWSLEMW-UHFFFAOYSA-N 0 0 412.203 4.260 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2cn3cc(Cl)cc(Cl)c3n2)n1 ZINC000547104520 940997487 /nfs/dbraw/zinc/99/74/87/940997487.db2.gz VKNKKFBQYMMDTC-UHFFFAOYSA-N 0 0 404.213 4.499 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc([C@H]3CCOc4ccccc43)no2)c(Br)c1 ZINC000547104229 940997571 /nfs/dbraw/zinc/99/75/71/940997571.db2.gz PLBTWEWVMCYUSQ-LBPRGKRZSA-N 0 0 402.204 4.322 20 5 HIBDRN CC(C)(C)c1ccc(-c2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)cc1[N+](=O)[O-] ZINC000547123044 941003972 /nfs/dbraw/zinc/00/39/72/941003972.db2.gz FMJIKDRWCHXMNF-HNNXBMFYSA-N 0 0 406.442 4.463 20 5 HIBDRN O=[N+]([O-])c1ccc2c(ccn2Cc2nc(CCc3ccc(OC(F)F)cc3)no2)c1 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ZINC000547300478 941055440 /nfs/dbraw/zinc/05/54/40/941055440.db2.gz KZHSYNNZIZXJEP-UHFFFAOYSA-N 0 0 409.446 4.133 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000547332463 941056464 /nfs/dbraw/zinc/05/64/64/941056464.db2.gz VSKWCOJACCQJSH-UHFFFAOYSA-N 0 0 422.485 4.300 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000547372551 941059055 /nfs/dbraw/zinc/05/90/55/941059055.db2.gz GGCPPCIHBLAFEU-LLVKDONJSA-N 0 0 409.236 4.162 20 5 HIBDRN Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000548067414 941085250 /nfs/dbraw/zinc/08/52/50/941085250.db2.gz KHMKVCIFEGOWDQ-UHFFFAOYSA-N 0 0 407.430 4.195 20 5 HIBDRN CC1(C)CC(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000548087969 941086262 /nfs/dbraw/zinc/08/62/62/941086262.db2.gz JCFJHNJVEXOPGW-UHFFFAOYSA-N 0 0 419.528 4.298 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000548171786 941090499 /nfs/dbraw/zinc/09/04/99/941090499.db2.gz MABZYPOSKRYKNH-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548175893 941090850 /nfs/dbraw/zinc/09/08/50/941090850.db2.gz LNOZFGHXSVVQJE-INIZCTEOSA-N 0 0 415.318 4.244 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC000548425163 941102334 /nfs/dbraw/zinc/10/23/34/941102334.db2.gz SMPLWZSTPQHCIK-UHFFFAOYSA-N 0 0 418.877 4.125 20 5 HIBDRN CC(C)OC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CCO1 ZINC000548439617 941104140 /nfs/dbraw/zinc/10/41/40/941104140.db2.gz SZJMTPOPDUQDCF-QGZVFWFLSA-N 0 0 416.499 4.012 20 5 HIBDRN CC[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1cc(F)cc(Br)c1 ZINC000548599399 941113936 /nfs/dbraw/zinc/11/39/36/941113936.db2.gz LOTYUZIKRMOOAB-INIZCTEOSA-N 0 0 410.243 4.447 20 5 HIBDRN COc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(C)c1 ZINC000548705593 941120440 /nfs/dbraw/zinc/12/04/40/941120440.db2.gz FUPPXIFEHQNDBV-UHFFFAOYSA-N 0 0 408.404 4.207 20 5 HIBDRN 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GUXKDCFDXMGVSY-UHFFFAOYSA-N 0 0 408.838 4.233 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000561138938 944476129 /nfs/dbraw/zinc/47/61/29/944476129.db2.gz RYBIVHSLIVGELO-BHDDXSALSA-N 0 0 402.454 4.189 20 5 HIBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000561152065 944485040 /nfs/dbraw/zinc/48/50/40/944485040.db2.gz SMCJLYIMKGSUGO-WKKSIBQESA-N 0 0 404.532 4.228 20 5 HIBDRN COC(=O)c1cc(C)nc(Oc2cccc(C(=O)Nc3ccc(C)cc3)c2)c1[N+](=O)[O-] ZINC000561188893 944506928 /nfs/dbraw/zinc/50/69/28/944506928.db2.gz PCYDXNIRITVRKT-UHFFFAOYSA-N 0 0 421.409 4.438 20 5 HIBDRN CS(=O)(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)c(C(F)(F)F)c1 ZINC000561271013 944534282 /nfs/dbraw/zinc/53/42/82/944534282.db2.gz VNBURPUUGPIAED-UHFFFAOYSA-N 0 0 408.785 4.283 20 5 HIBDRN COC(=O)c1cc(C)nc(Oc2ccc(-n3ncc4ccccc43)cc2)c1[N+](=O)[O-] ZINC000561268207 944534769 /nfs/dbraw/zinc/53/47/69/944534769.db2.gz ULWCYKYSZXUACW-UHFFFAOYSA-N 0 0 404.382 4.216 20 5 HIBDRN CN1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561282844 944539494 /nfs/dbraw/zinc/53/94/94/944539494.db2.gz JYGTUUYHWLSQHJ-UKRRQHHQSA-N 0 0 407.858 4.249 20 5 HIBDRN CS(=O)(=O)c1ccc(NC[C@H](OCC2CC2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000561338776 944555890 /nfs/dbraw/zinc/55/58/90/944555890.db2.gz SPWDTHGETPEFGR-IBGZPJMESA-N 0 0 424.906 4.232 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000561404120 944582315 /nfs/dbraw/zinc/58/23/15/944582315.db2.gz OQPGOCFKWNTHQL-VIFPVBQESA-N 0 0 423.317 4.145 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CCOC[C@H]3CC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000561446057 944604945 /nfs/dbraw/zinc/60/49/45/944604945.db2.gz NEQAIIPWWGREIA-MRXNPFEDSA-N 0 0 405.401 4.016 20 5 HIBDRN Cc1noc([C@H]2CCCCN2C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000561452281 944610356 /nfs/dbraw/zinc/61/03/56/944610356.db2.gz RABNXBGQVFJRJX-LJQANCHMSA-N 0 0 421.457 4.266 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCCc3ccc(C)cc32)c([N+](=O)[O-])cc1OC(F)F ZINC000561533233 944659746 /nfs/dbraw/zinc/65/97/46/944659746.db2.gz KWOAFYPXVKRFKY-OAHLLOKOSA-N 0 0 406.385 4.321 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000561566621 944678731 /nfs/dbraw/zinc/67/87/31/944678731.db2.gz BFJAGBOSLKIZMW-QGZVFWFLSA-N 0 0 418.318 4.370 20 5 HIBDRN COc1ccc(CC(=O)N2CCc3ccccc3[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000561582256 944688615 /nfs/dbraw/zinc/68/86/15/944688615.db2.gz BTHZJYYVKABCFK-XMMPIXPASA-N 0 0 402.450 4.320 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccccc2F)C1 ZINC000561592684 944694153 /nfs/dbraw/zinc/69/41/53/944694153.db2.gz PVTFPWOCRLIONG-AWEZNQCLSA-N 0 0 403.479 4.243 20 5 HIBDRN COc1cccc(OC(F)(F)F)c1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000561667161 944737625 /nfs/dbraw/zinc/73/76/25/944737625.db2.gz FCSFGYQLZBTHBM-NSHDSACASA-N 0 0 413.352 4.062 20 5 HIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000561698451 944753246 /nfs/dbraw/zinc/75/32/46/944753246.db2.gz SKUMSJUVVLBGMU-QGZVFWFLSA-N 0 0 415.247 4.211 20 5 HIBDRN CCCOCc1ccccc1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561704041 944754055 /nfs/dbraw/zinc/75/40/55/944754055.db2.gz IWUGXOUZWPRRES-UHFFFAOYSA-N 0 0 410.474 4.045 20 5 HIBDRN Cc1nn(C)c(N[C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)c1[N+](=O)[O-] ZINC000561699946 944754245 /nfs/dbraw/zinc/75/42/45/944754245.db2.gz YJBPPDMWZKDLGA-CQSZACIVSA-N 0 0 404.268 4.370 20 5 HIBDRN O=C(NCC1=CCCOC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000561711776 944758109 /nfs/dbraw/zinc/75/81/09/944758109.db2.gz OGTXFJBCMJJNGQ-UHFFFAOYSA-N 0 0 404.875 4.476 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)c1OC ZINC000561718150 944762017 /nfs/dbraw/zinc/76/20/17/944762017.db2.gz WEPMMWCIFJLLMX-LLVKDONJSA-N 0 0 412.364 4.430 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1cc(C(F)(F)F)on1 ZINC000561734750 944770195 /nfs/dbraw/zinc/77/01/95/944770195.db2.gz LRPQSMAAVXNDMQ-VIFPVBQESA-N 0 0 403.382 4.134 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000561765268 944786751 /nfs/dbraw/zinc/78/67/51/944786751.db2.gz BAUHERJEIWJNJA-HXUWFJFHSA-N 0 0 417.799 4.370 20 5 HIBDRN Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000561853962 944822223 /nfs/dbraw/zinc/82/22/23/944822223.db2.gz OQKJLIAVBYGEEJ-UHFFFAOYSA-N 0 0 407.430 4.495 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)c1 ZINC000561938085 944865560 /nfs/dbraw/zinc/86/55/60/944865560.db2.gz FXDWKUZQOYQWTA-UHFFFAOYSA-N 0 0 415.125 4.488 20 5 HIBDRN Cc1ccc(NC(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000562033373 944904909 /nfs/dbraw/zinc/90/49/09/944904909.db2.gz XGUONCHRKJYAAN-HXUWFJFHSA-N 0 0 424.501 4.039 20 5 HIBDRN CCc1ccc([C@H]2CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000562118511 944951909 /nfs/dbraw/zinc/95/19/09/944951909.db2.gz VIYYEQPQSCDEDO-IBGZPJMESA-N 0 0 404.470 4.187 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000562145026 944974807 /nfs/dbraw/zinc/97/48/07/944974807.db2.gz GFZYHWIVZRSUPG-TZIWHRDSSA-N 0 0 409.486 4.199 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000562249858 945043777 /nfs/dbraw/zinc/04/37/77/945043777.db2.gz DAOSEJPOTSFXDO-JOCHJYFZSA-N 0 0 423.513 4.311 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3ccccc3)c(C)n2)cc1[N+](=O)[O-] ZINC000564134057 945395042 /nfs/dbraw/zinc/39/50/42/945395042.db2.gz RDLZCLSIYJPGGK-OAHLLOKOSA-N 0 0 418.453 4.090 20 5 HIBDRN COC(=O)c1cc2cc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)ccc2o1 ZINC000564307775 945508426 /nfs/dbraw/zinc/50/84/26/945508426.db2.gz VAOVVVURJLBLFG-UHFFFAOYSA-N 0 0 408.288 4.399 20 5 HIBDRN CC(C)(C(=O)N[C@H]1CCc2c1cccc2Br)c1ccccc1[N+](=O)[O-] ZINC000564349652 945521713 /nfs/dbraw/zinc/52/17/13/945521713.db2.gz RMRBZVJOCUUWJB-INIZCTEOSA-N 0 0 403.276 4.439 20 5 HIBDRN C[C@H](C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000564401545 945556659 /nfs/dbraw/zinc/55/66/59/945556659.db2.gz LCUZSCVGNUGJTQ-JTQLQIEISA-N 0 0 401.316 4.011 20 5 HIBDRN NC(=O)c1ccc(OCC(F)F)c(N[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000564540822 945663631 /nfs/dbraw/zinc/66/36/31/945663631.db2.gz KRWSKNKMPXOLSM-CZUORRHYSA-N 0 0 419.428 4.161 20 5 HIBDRN C[C@@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000564696054 945736332 /nfs/dbraw/zinc/73/63/32/945736332.db2.gz ANIDGYFUXZYJML-FZKQIMNGSA-N 0 0 419.275 4.061 20 5 HIBDRN C[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1 ZINC000564718045 945738724 /nfs/dbraw/zinc/73/87/24/945738724.db2.gz JGFDFGGDYAPICT-STQMWFEESA-N 0 0 407.264 4.045 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000564714873 945739222 /nfs/dbraw/zinc/73/92/22/945739222.db2.gz UQCLGKJPXYOYSU-SNVBAGLBSA-N 0 0 401.316 4.011 20 5 HIBDRN CCCOc1ccc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(OC(F)F)c1 ZINC000564720091 945741299 /nfs/dbraw/zinc/74/12/99/945741299.db2.gz RJDRXXOZCMDWKI-CYBMUJFWSA-N 0 0 408.401 4.405 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000564789352 945759074 /nfs/dbraw/zinc/75/90/74/945759074.db2.gz JMOFGWWMVZVFRH-FQEVSTJZSA-N 0 0 407.392 4.162 20 5 HIBDRN Cc1c(Cc2noc([C@H]3CCCCN3C(=O)c3cccs3)n2)cccc1[N+](=O)[O-] ZINC000565389782 945822866 /nfs/dbraw/zinc/82/28/66/945822866.db2.gz WZDMIYGTTJTKRJ-MRXNPFEDSA-N 0 0 412.471 4.306 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000565505339 945841577 /nfs/dbraw/zinc/84/15/77/945841577.db2.gz QDZVITMFJSUABR-ZDUSSCGKSA-N 0 0 415.396 4.349 20 5 HIBDRN C[C@H](C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000565573353 945851935 /nfs/dbraw/zinc/85/19/35/945851935.db2.gz GGWZCZYBLANEKE-UGSOOPFHSA-N 0 0 408.376 4.317 20 5 HIBDRN C[C@@H](C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000565573350 945852085 /nfs/dbraw/zinc/85/20/85/945852085.db2.gz GGWZCZYBLANEKE-FZKQIMNGSA-N 0 0 408.376 4.317 20 5 HIBDRN CC(C)Oc1ccccc1[C@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565736789 945875460 /nfs/dbraw/zinc/87/54/60/945875460.db2.gz JEASJOIQWONENI-HNNXBMFYSA-N 0 0 410.474 4.466 20 5 HIBDRN COc1ccc(Nc2nc(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)cs2)cc1 ZINC000565794139 945884110 /nfs/dbraw/zinc/88/41/10/945884110.db2.gz BLDAZIGMFGJMPV-UHFFFAOYSA-N 0 0 400.416 4.064 20 5 HIBDRN CCOc1ccc(-c2nc(C3(NC(=O)c4ccccc4)CCCC3)no2)cc1[N+](=O)[O-] ZINC000565861480 945897852 /nfs/dbraw/zinc/89/78/52/945897852.db2.gz XUDPJQWNBOIZLF-UHFFFAOYSA-N 0 0 422.441 4.243 20 5 HIBDRN CC[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)Oc1cccc(F)c1 ZINC000565920495 945926469 /nfs/dbraw/zinc/92/64/69/945926469.db2.gz YLBGZJAJGYYDPK-GFCCVEGCSA-N 0 0 400.328 4.340 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)c1 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COc1cc(OC)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl ZINC000014716736 845973614 /nfs/dbraw/zinc/97/36/14/845973614.db2.gz BJDTYALLBHITTM-UHFFFAOYSA-N 0 0 405.838 4.118 20 5 HIBDRN NC(=O)c1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 ZINC000014830439 845984117 /nfs/dbraw/zinc/98/41/17/845984117.db2.gz BMGVTGPCCQFVGQ-UHFFFAOYSA-N 0 0 424.844 4.212 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000015001158 845998821 /nfs/dbraw/zinc/99/88/21/845998821.db2.gz VNZMGXQSGLAINO-FMIVXFBMSA-N 0 0 421.375 4.114 20 5 HIBDRN Cc1cc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc(C(C)C)n1 ZINC000015117730 846010817 /nfs/dbraw/zinc/01/08/17/846010817.db2.gz PKHCYGISRZIKSF-UHFFFAOYSA-N 0 0 409.412 4.162 20 5 HIBDRN CNS(=O)(=O)c1ccc(N[C@H](C)c2cc(F)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000015128999 846012062 /nfs/dbraw/zinc/01/20/62/846012062.db2.gz AYLIIVVFCAIKDF-MRVPVSSYSA-N 0 0 422.265 4.122 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000015431954 846047676 /nfs/dbraw/zinc/04/76/76/846047676.db2.gz WXSKRONABIPBCG-UHFFFAOYSA-N 0 0 424.269 4.434 20 5 HIBDRN CC[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000015546908 846061131 /nfs/dbraw/zinc/06/11/31/846061131.db2.gz LKRXRGUXRMQKJL-HNNXBMFYSA-N 0 0 424.320 4.367 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015550948 846061836 /nfs/dbraw/zinc/06/18/36/846061836.db2.gz YOLOXEBQJKNJLR-HNNXBMFYSA-N 0 0 421.457 4.057 20 5 HIBDRN CCNc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000015648820 846080393 /nfs/dbraw/zinc/08/03/93/846080393.db2.gz NZSPEXHGIFJLOI-GFCCVEGCSA-N 0 0 405.838 4.172 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000015710559 846086227 /nfs/dbraw/zinc/08/62/27/846086227.db2.gz RKYCYBAXDVAFPJ-SECBINFHSA-N 0 0 413.213 4.094 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000015800746 846092985 /nfs/dbraw/zinc/09/29/85/846092985.db2.gz NVETUYRGMJJWSS-LBPRGKRZSA-N 0 0 421.247 4.158 20 5 HIBDRN O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015940819 846104379 /nfs/dbraw/zinc/10/43/79/846104379.db2.gz MZNUURAMSLNCLO-UHFFFAOYSA-N 0 0 416.481 4.436 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000015963918 846104774 /nfs/dbraw/zinc/10/47/74/846104774.db2.gz XJUICZSBWZOHRX-LLVKDONJSA-N 0 0 418.862 4.446 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000015963919 846105263 /nfs/dbraw/zinc/10/52/63/846105263.db2.gz XJUICZSBWZOHRX-NSHDSACASA-N 0 0 418.862 4.446 20 5 HIBDRN CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000015990690 846108398 /nfs/dbraw/zinc/10/83/98/846108398.db2.gz WNCQVWDXFXCCJZ-UHFFFAOYSA-N 0 0 413.655 4.162 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000436337324 861644802 /nfs/dbraw/zinc/64/48/02/861644802.db2.gz PLJQIHGATLFPBJ-CYBMUJFWSA-N 0 0 418.379 4.178 20 5 HIBDRN CCn1cc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 ZINC000016402567 846165993 /nfs/dbraw/zinc/16/59/93/846165993.db2.gz XTMSZURBZGDEMZ-UHFFFAOYSA-N 0 0 401.806 4.018 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)N1CCCC1 ZINC000016445400 846172985 /nfs/dbraw/zinc/17/29/85/846172985.db2.gz DJOMFYOMVJBWOQ-QGZVFWFLSA-N 0 0 404.264 4.133 20 5 HIBDRN COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)c(OC)c1 ZINC000016458779 846174716 /nfs/dbraw/zinc/17/47/16/846174716.db2.gz NIFREHKBPRRXJG-UHFFFAOYSA-N 0 0 422.437 4.220 20 5 HIBDRN CCOc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000016483770 846177603 /nfs/dbraw/zinc/17/76/03/846177603.db2.gz YCNIMZFATJOONT-UHFFFAOYSA-N 0 0 405.454 4.311 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000016579395 846185832 /nfs/dbraw/zinc/18/58/32/846185832.db2.gz YUJKMPSEMFRABO-SECBINFHSA-N 0 0 422.319 4.164 20 5 HIBDRN C[C@H](OC(=O)c1cc(O)c2ccccc2c1O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000016628125 846192272 /nfs/dbraw/zinc/19/22/72/846192272.db2.gz KIXWGNSXSCQFRA-NSHDSACASA-N 0 0 421.365 4.127 20 5 HIBDRN Cc1c(C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000016700417 846197705 /nfs/dbraw/zinc/19/77/05/846197705.db2.gz FQSWWRVBBLOTLM-UHFFFAOYSA-N 0 0 404.348 4.419 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc2ccccc2n1C(F)F ZINC000016702332 846197828 /nfs/dbraw/zinc/19/78/28/846197828.db2.gz OFOBSNJCANITFL-SNVBAGLBSA-N 0 0 422.413 4.468 20 5 HIBDRN COc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1Cc1ccccc1 ZINC000016738719 846205140 /nfs/dbraw/zinc/20/51/40/846205140.db2.gz KFZKAZZJNYCFME-UHFFFAOYSA-N 0 0 412.467 4.341 20 5 HIBDRN COc1ccc(NC(=O)[C@H](OC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000016750557 846206234 /nfs/dbraw/zinc/20/62/34/846206234.db2.gz FSLCPLYPMKDXHX-OAQYLSRUSA-N 0 0 420.421 4.449 20 5 HIBDRN Cc1cccc(Nc2nnc(SCc3ccc(C(N)=O)cc3[N+](=O)[O-])s2)c1C ZINC000016756428 846206935 /nfs/dbraw/zinc/20/69/35/846206935.db2.gz WIYDHKRLWOZJSM-UHFFFAOYSA-N 0 0 415.500 4.198 20 5 HIBDRN Cc1ccc(-n2ccnc2SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1C ZINC000016759370 846207089 /nfs/dbraw/zinc/20/70/89/846207089.db2.gz QODILTOUFFBBBN-UHFFFAOYSA-N 0 0 408.483 4.079 20 5 HIBDRN CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000016800355 846211835 /nfs/dbraw/zinc/21/18/35/846211835.db2.gz NMQITWWBRANUDY-LBPRGKRZSA-N 0 0 414.439 4.392 20 5 HIBDRN O=C(Nc1n[nH]c(-c2ccccc2Br)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000016963974 846223758 /nfs/dbraw/zinc/22/37/58/846223758.db2.gz YUHOXUIADKFNOB-UHFFFAOYSA-N 0 0 422.626 4.048 20 5 HIBDRN O=C(Nc1ccc(OC(=O)[C@@H]2COc3ccccc3C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000016961662 846223812 /nfs/dbraw/zinc/22/38/12/846223812.db2.gz LBHQTTGTYTTXBS-KRWDZBQOSA-N 0 0 418.405 4.004 20 5 HIBDRN COCCN(C(=O)Cc1ccc(C)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000017346244 846249334 /nfs/dbraw/zinc/24/93/34/846249334.db2.gz LGBYUYYZKIKUHH-UHFFFAOYSA-N 0 0 411.483 4.249 20 5 HIBDRN CC(C)n1ncc2cc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cnc21 ZINC000017525975 846256879 /nfs/dbraw/zinc/25/68/79/846256879.db2.gz ZZUKXZPKWUJNRF-UHFFFAOYSA-N 0 0 422.489 4.409 20 5 HIBDRN C[C@H](OC(=O)c1cccc(Br)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017527061 846257562 /nfs/dbraw/zinc/25/75/62/846257562.db2.gz YCPNSQDNTGOVDF-JTQLQIEISA-N 0 0 418.203 4.325 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2cccs2)cc1 ZINC000017527999 846257875 /nfs/dbraw/zinc/25/78/75/846257875.db2.gz KXPCHHSWQBJYMW-OAQYLSRUSA-N 0 0 424.478 4.336 20 5 HIBDRN C[C@H](OC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017669164 846263188 /nfs/dbraw/zinc/26/31/88/846263188.db2.gz WFVKYEUAZXVMRK-LBPRGKRZSA-N 0 0 402.834 4.311 20 5 HIBDRN C[C@@H](OC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017750800 846268173 /nfs/dbraw/zinc/26/81/73/846268173.db2.gz HBFUYSKUBZZBRP-MRVPVSSYSA-N 0 0 401.177 4.225 20 5 HIBDRN C[C@@H](OC(=O)[C@H](C)Oc1cccc(Cl)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017747873 846268583 /nfs/dbraw/zinc/26/85/83/846268583.db2.gz YJBXYNBKMRRKIM-NEPJUHHUSA-N 0 0 417.805 4.370 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000017828532 846271148 /nfs/dbraw/zinc/27/11/48/846271148.db2.gz LQACVPASXWULDP-ZDUSSCGKSA-N 0 0 411.439 4.211 20 5 HIBDRN C[C@@H](OC(=O)CSc1ccc(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017835023 846271715 /nfs/dbraw/zinc/27/17/15/846271715.db2.gz XXZBGDTZWSZNDR-SNVBAGLBSA-N 0 0 421.381 4.320 20 5 HIBDRN Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000017856709 846273578 /nfs/dbraw/zinc/27/35/78/846273578.db2.gz MRVAJAKFRYZERL-UHFFFAOYSA-N 0 0 418.453 4.324 20 5 HIBDRN COc1ccc(NC(=O)COC(=O)c2cc(C(C)C)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000018023844 846286939 /nfs/dbraw/zinc/28/69/39/846286939.db2.gz FMQSMFNYBRUNCV-UHFFFAOYSA-N 0 0 423.425 4.071 20 5 HIBDRN C[C@@H]1CC[C@@H](C)N(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000436345785 861660532 /nfs/dbraw/zinc/66/05/32/861660532.db2.gz YZKYBGVPPMBCHA-ZIAGYGMSSA-N 0 0 413.440 4.477 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(F)cc3)c[nH]2)c([N+](=O)[O-])c1 ZINC000018457927 846327555 /nfs/dbraw/zinc/32/75/55/846327555.db2.gz GLOAXOQFHKQAMN-LLVKDONJSA-N 0 0 416.434 4.252 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)NCc2cccs2)nc2cc3ccccc3cc2c1=O ZINC000018467563 846328437 /nfs/dbraw/zinc/32/84/37/846328437.db2.gz RMWRIJCGPBFMEO-CQSZACIVSA-N 0 0 423.563 4.428 20 5 HIBDRN C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)Nc1cccnc1Cl ZINC000018591107 846333738 /nfs/dbraw/zinc/33/37/38/846333738.db2.gz SAXACXBUSJAUKI-GFCCVEGCSA-N 0 0 424.913 4.254 20 5 HIBDRN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(Cl)s1 ZINC000018939108 846346129 /nfs/dbraw/zinc/34/61/29/846346129.db2.gz UNDQFFCJQMLMAL-UHFFFAOYSA-N 0 0 418.700 4.143 20 5 HIBDRN O=C(COC(=O)c1csc(-c2cccs2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000019258085 846361209 /nfs/dbraw/zinc/36/12/09/846361209.db2.gz IEFHQFFFVBUNOB-UHFFFAOYSA-N 0 0 423.859 4.229 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)c2nnc(-c3cccs3)o2)cc1OC ZINC000019357895 846364206 /nfs/dbraw/zinc/36/42/06/846364206.db2.gz TUUGSYXRHSXECX-SNVBAGLBSA-N 0 0 419.415 4.032 20 5 HIBDRN CCOc1cc(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)c([N+](=O)[O-])cc1OC ZINC000019473845 846365707 /nfs/dbraw/zinc/36/57/07/846365707.db2.gz HRNFNVVBXAGJGL-UHFFFAOYSA-N 0 0 421.274 4.055 20 5 HIBDRN Cc1cc(OC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)cc1Cl ZINC000020969106 846397045 /nfs/dbraw/zinc/39/70/45/846397045.db2.gz JPMSJPRKHLDXGJ-UHFFFAOYSA-N 0 0 404.850 4.406 20 5 HIBDRN C[C@@H](OC(=O)c1cc(F)cc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000020991419 846398677 /nfs/dbraw/zinc/39/86/77/846398677.db2.gz HRTWMGRZJXYUPP-MRVPVSSYSA-N 0 0 418.274 4.076 20 5 HIBDRN CCOc1ccc(NC(=O)CSc2nc(C)c(C)n2CC(C)C)c([N+](=O)[O-])c1 ZINC000021432447 846441226 /nfs/dbraw/zinc/44/12/26/846441226.db2.gz BSTOWIHCIMUKFJ-UHFFFAOYSA-N 0 0 406.508 4.194 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000021467178 846448388 /nfs/dbraw/zinc/44/83/88/846448388.db2.gz OPXIEAOVYSPJJD-UHFFFAOYSA-N 0 0 404.806 4.307 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021499758 846455227 /nfs/dbraw/zinc/45/52/27/846455227.db2.gz GIQCMTODHQESPS-LLVKDONJSA-N 0 0 416.336 4.317 20 5 HIBDRN CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000021545511 846458986 /nfs/dbraw/zinc/45/89/86/846458986.db2.gz HFKKYTJMUWQHEN-GFCCVEGCSA-N 0 0 414.443 4.163 20 5 HIBDRN Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)s1 ZINC000021556481 846461340 /nfs/dbraw/zinc/46/13/40/846461340.db2.gz XLOJQZOOQIGWKB-UHFFFAOYSA-N 0 0 413.421 4.254 20 5 HIBDRN Cc1ccc(C(C)C)c(OCC(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000021679777 846482763 /nfs/dbraw/zinc/48/27/63/846482763.db2.gz TXUDGVGIRFKJKV-CQSZACIVSA-N 0 0 418.421 4.115 20 5 HIBDRN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])n2C)c1 ZINC000021991214 846517360 /nfs/dbraw/zinc/51/73/60/846517360.db2.gz LYVMDOJCNCYYFL-UHFFFAOYSA-N 0 0 417.878 4.083 20 5 HIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000022161445 846538942 /nfs/dbraw/zinc/53/89/42/846538942.db2.gz BPJRCMBIQOTPCI-NSHDSACASA-N 0 0 408.863 4.463 20 5 HIBDRN CSCc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1 ZINC000022188331 846542909 /nfs/dbraw/zinc/54/29/09/846542909.db2.gz HSJNBSPXLNNTFZ-SFHVURJKSA-N 0 0 416.499 4.271 20 5 HIBDRN Cn1c(SCC(=O)NCc2cccc(Cl)c2)nc2cc3ccccc3cc2c1=O ZINC000022254674 846551320 /nfs/dbraw/zinc/55/13/20/846551320.db2.gz GHQAFZZGUYCJNO-UHFFFAOYSA-N 0 0 423.925 4.149 20 5 HIBDRN CCNc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000022486661 846577516 /nfs/dbraw/zinc/57/75/16/846577516.db2.gz RABYMPKIFBCRIA-OLZOCXBDSA-N 0 0 419.865 4.103 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000022495807 846579170 /nfs/dbraw/zinc/57/91/70/846579170.db2.gz MWFOROQMZFYHGZ-QWRGUYRKSA-N 0 0 411.241 4.324 20 5 HIBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1c2ccccc2CC[C@H]1C ZINC000022496532 846579345 /nfs/dbraw/zinc/57/93/45/846579345.db2.gz HYFPWSGPXKXKDD-OLZOCXBDSA-N 0 0 402.834 4.161 20 5 HIBDRN C[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022550773 846585856 /nfs/dbraw/zinc/58/58/56/846585856.db2.gz SPBWGFCEFZDVKP-VCFDLTMXSA-N 0 0 409.225 4.485 20 5 HIBDRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000022567935 846588499 /nfs/dbraw/zinc/58/84/99/846588499.db2.gz RDBGSJXSPSILQX-UHFFFAOYSA-N 0 0 411.727 4.100 20 5 HIBDRN CCOc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)nc2c1 ZINC000022564117 846588551 /nfs/dbraw/zinc/58/85/51/846588551.db2.gz FZLQISUCSQNHCB-LBPRGKRZSA-N 0 0 400.460 4.298 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000022668632 846599690 /nfs/dbraw/zinc/59/96/90/846599690.db2.gz XDGZTHQXHIAZGM-GHMZBOCLSA-N 0 0 411.241 4.324 20 5 HIBDRN CC(C)c1ccc(NC(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000022720659 846609717 /nfs/dbraw/zinc/60/97/17/846609717.db2.gz FXHWNNQKPCYLPK-UHFFFAOYSA-N 0 0 421.247 4.276 20 5 HIBDRN Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000022736570 846612515 /nfs/dbraw/zinc/61/25/15/846612515.db2.gz PKRCIZHDKBCRGN-HOTGVXAUSA-N 0 0 406.438 4.479 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)Cc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000022765053 846618507 /nfs/dbraw/zinc/61/85/07/846618507.db2.gz HQEZRFKXAVDTEF-GFCCVEGCSA-N 0 0 410.348 4.035 20 5 HIBDRN C[C@@H](c1nnc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1)N(C)C ZINC000022876465 846631206 /nfs/dbraw/zinc/63/12/06/846631206.db2.gz HFOMVKOKXIWOTF-ZDUSSCGKSA-N 0 0 401.467 4.230 20 5 HIBDRN COc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000022907787 846636345 /nfs/dbraw/zinc/63/63/45/846636345.db2.gz QTHZIEWPBQFPNH-LSDHHAIUSA-N 0 0 422.437 4.179 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2C)ccc1Br ZINC000022911082 846636581 /nfs/dbraw/zinc/63/65/81/846636581.db2.gz LSDNZSIUOVQSIX-LBPRGKRZSA-N 0 0 421.247 4.158 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3ccnn3Cc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000023142445 846664282 /nfs/dbraw/zinc/66/42/82/846664282.db2.gz AVVGFRDASNGDJB-UHFFFAOYSA-N 0 0 419.485 4.328 20 5 HIBDRN Cc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1-c1cc(C)ccc1C ZINC000023155640 846664832 /nfs/dbraw/zinc/66/48/32/846664832.db2.gz IYVWAWCPERHXCV-UHFFFAOYSA-N 0 0 411.487 4.140 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)COc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000023202617 846668448 /nfs/dbraw/zinc/66/84/48/846668448.db2.gz QYFQBFFCIRRZHF-HNNXBMFYSA-N 0 0 408.410 4.006 20 5 HIBDRN O=C(OCc1nc2ccccc2c2ccccc12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000023328539 846685600 /nfs/dbraw/zinc/68/56/00/846685600.db2.gz CMDCTXUDDOJYEY-UHFFFAOYSA-N 0 0 402.362 4.382 20 5 HIBDRN CCCCc1nnc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000023362720 846690028 /nfs/dbraw/zinc/69/00/28/846690028.db2.gz UAGZGXNVDRJYLG-ZDUSSCGKSA-N 0 0 403.508 4.278 20 5 HIBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2nc3ccccc3s2)CC1 ZINC000023424586 846699432 /nfs/dbraw/zinc/69/94/32/846699432.db2.gz SBIOFWXWQUXFOL-UHFFFAOYSA-N 0 0 410.499 4.371 20 5 HIBDRN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000023531677 846716480 /nfs/dbraw/zinc/71/64/80/846716480.db2.gz RORITYFIFXEABW-UHFFFAOYSA-N 0 0 407.392 4.486 20 5 HIBDRN Cn1c(=O)c2c(-c3cccs3)csc2nc1Sc1ccc([N+](=O)[O-])cn1 ZINC000023608866 846729151 /nfs/dbraw/zinc/72/91/51/846729151.db2.gz AZGBGOQBWZRBAF-UHFFFAOYSA-N 0 0 402.482 4.178 20 5 HIBDRN COc1ccc(N(Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000023658249 846737380 /nfs/dbraw/zinc/73/73/80/846737380.db2.gz BFETVISDYLACAY-UHFFFAOYSA-N 0 0 412.467 4.307 20 5 HIBDRN C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000024066314 846783509 /nfs/dbraw/zinc/78/35/09/846783509.db2.gz DRAZXBCDYJRHGH-CYBMUJFWSA-N 0 0 418.396 4.030 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] ZINC000024103313 846789833 /nfs/dbraw/zinc/78/98/33/846789833.db2.gz TXXILQWQLHJOOA-UHFFFAOYSA-N 0 0 417.468 4.018 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000024869511 846880169 /nfs/dbraw/zinc/88/01/69/846880169.db2.gz IZPRZVMGYNCLDG-QGZVFWFLSA-N 0 0 409.486 4.383 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000024869517 846880496 /nfs/dbraw/zinc/88/04/96/846880496.db2.gz IZPRZVMGYNCLDG-KRWDZBQOSA-N 0 0 409.486 4.383 20 5 HIBDRN COc1cc(CSc2nnc3[nH]c4ccccc4n32)c([N+](=O)[O-])cc1OC(F)F ZINC000024893870 846884284 /nfs/dbraw/zinc/88/42/84/846884284.db2.gz RORHPDSIBFDEKC-UHFFFAOYSA-N 0 0 421.385 4.021 20 5 HIBDRN COc1ccc(C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)c(OC)c1 ZINC000024969954 846898445 /nfs/dbraw/zinc/89/84/45/846898445.db2.gz WOAMWZFTBXVZME-UHFFFAOYSA-N 0 0 420.490 4.079 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000025020882 846906736 /nfs/dbraw/zinc/90/67/36/846906736.db2.gz BALXBRPWBACBKN-SFHVURJKSA-N 0 0 423.498 4.381 20 5 HIBDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1Cl ZINC000025027615 846907342 /nfs/dbraw/zinc/90/73/42/846907342.db2.gz VZCAXLCUXDZDAT-UHFFFAOYSA-N 0 0 417.878 4.177 20 5 HIBDRN Cc1cccn2cc(COc3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)nc12 ZINC000025074505 846918745 /nfs/dbraw/zinc/91/87/45/846918745.db2.gz DBMWCDMYDSQEQN-UHFFFAOYSA-N 0 0 402.410 4.382 20 5 HIBDRN O=C(COC(=O)c1cc2c(cccc2F)s1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000025134384 846932353 /nfs/dbraw/zinc/93/23/53/846932353.db2.gz ZCBVCOQVHZSZCO-UHFFFAOYSA-N 0 0 408.794 4.398 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000025181725 846937907 /nfs/dbraw/zinc/93/79/07/846937907.db2.gz TXZMVZUFAXPOIC-SCLBCKFNSA-N 0 0 407.923 4.148 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N(C)Cc2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000025255657 846948958 /nfs/dbraw/zinc/94/89/58/846948958.db2.gz BWPVSHGVPUXRLZ-ZDUSSCGKSA-N 0 0 411.380 4.261 20 5 HIBDRN O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000025387826 846972837 /nfs/dbraw/zinc/97/28/37/846972837.db2.gz ZVVVEDVBWFJWDB-UHFFFAOYSA-N 0 0 409.423 4.263 20 5 HIBDRN O=C(NC[C@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000025388254 846973195 /nfs/dbraw/zinc/97/31/95/846973195.db2.gz ALQBQCZLFBDUIV-INIZCTEOSA-N 0 0 422.462 4.316 20 5 HIBDRN Cc1c(C(=O)OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cccc1[N+](=O)[O-] ZINC000025462611 846981726 /nfs/dbraw/zinc/98/17/26/846981726.db2.gz GCKZZHUJHHSJRS-UHFFFAOYSA-N 0 0 407.304 4.329 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000025622301 847008022 /nfs/dbraw/zinc/00/80/22/847008022.db2.gz ITKOFLSVZCQBJG-UHFFFAOYSA-N 0 0 423.303 4.029 20 5 HIBDRN CCOc1cc(C(=O)OCc2csc(-c3ccco3)n2)c([N+](=O)[O-])cc1OC ZINC000025622333 847008070 /nfs/dbraw/zinc/00/80/70/847008070.db2.gz PFQYCTWRUKYMEI-UHFFFAOYSA-N 0 0 404.400 4.076 20 5 HIBDRN O=C(NCc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000025649390 847013888 /nfs/dbraw/zinc/01/38/88/847013888.db2.gz FLRMHELTTQXSAF-UHFFFAOYSA-N 0 0 422.462 4.447 20 5 HIBDRN COc1cc(C)c(CN(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000025764248 847032306 /nfs/dbraw/zinc/03/23/06/847032306.db2.gz SWOXXASAMQSGTL-AWEZNQCLSA-N 0 0 404.488 4.060 20 5 HIBDRN O=C(CCC(=O)c1ccc2ccccc2c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000025818909 847041336 /nfs/dbraw/zinc/04/13/36/847041336.db2.gz CTYMMMOOVXPEAW-UHFFFAOYSA-N 0 0 421.405 4.321 20 5 HIBDRN CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000025901810 847054637 /nfs/dbraw/zinc/05/46/37/847054637.db2.gz JVZOPHBNPCBVPI-UHFFFAOYSA-N 0 0 423.513 4.053 20 5 HIBDRN CNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 ZINC000025938389 847060139 /nfs/dbraw/zinc/06/01/39/847060139.db2.gz JTAUUOSMCHVTCE-UHFFFAOYSA-N 0 0 421.478 4.036 20 5 HIBDRN COc1ccc(OC)c(CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C2CC2)c1 ZINC000026029901 847074019 /nfs/dbraw/zinc/07/40/19/847074019.db2.gz XPZLYXOVODKSMN-UHFFFAOYSA-N 0 0 402.472 4.139 20 5 HIBDRN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000026191848 847100003 /nfs/dbraw/zinc/10/00/03/847100003.db2.gz ADMGQYSRAXRMCM-MRXNPFEDSA-N 0 0 416.909 4.014 20 5 HIBDRN O=C(NCCc1nccn1Cc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000026216240 847104206 /nfs/dbraw/zinc/10/42/06/847104206.db2.gz XHBJZQZQYLVWDI-UHFFFAOYSA-N 0 0 406.467 4.027 20 5 HIBDRN O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000026254641 847113438 /nfs/dbraw/zinc/11/34/38/847113438.db2.gz YFAZTZUPZRKZCS-UHFFFAOYSA-N 0 0 418.453 4.421 20 5 HIBDRN CN(CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026350078 847131104 /nfs/dbraw/zinc/13/11/04/847131104.db2.gz SCXWHHQQJDKNLD-XMMPIXPASA-N 0 0 421.472 4.414 20 5 HIBDRN O=C(CCSc1nnc(-c2c[nH]c3ccccc32)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026363151 847134097 /nfs/dbraw/zinc/13/40/97/847134097.db2.gz LMKGXMZNSRJQHK-UHFFFAOYSA-N 0 0 409.427 4.247 20 5 HIBDRN CCOc1cc(CN(C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000026454547 847153604 /nfs/dbraw/zinc/15/36/04/847153604.db2.gz UXSODVWLTHCJNK-ZDUSSCGKSA-N 0 0 423.416 4.054 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c2cccs2)cc1 ZINC000026462661 847154924 /nfs/dbraw/zinc/15/49/24/847154924.db2.gz CFOMELGMEWAIMW-OAQYLSRUSA-N 0 0 410.451 4.062 20 5 HIBDRN C[C@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000026685101 847185877 /nfs/dbraw/zinc/18/58/77/847185877.db2.gz MRKICLNFHOBESV-ZDUSSCGKSA-N 0 0 400.435 4.098 20 5 HIBDRN CCOC(=O)c1cc(CC)sc1NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000026768286 847195384 /nfs/dbraw/zinc/19/53/84/847195384.db2.gz FMZVYNNLDWYPJH-UHFFFAOYSA-N 0 0 422.459 4.055 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c([N+](=O)[O-])cc1OC ZINC000026782211 847196746 /nfs/dbraw/zinc/19/67/46/847196746.db2.gz NJRBYRBHHSKHCJ-UHFFFAOYSA-N 0 0 424.457 4.331 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2C2CC2)cccc1[N+](=O)[O-] ZINC000026830488 847203888 /nfs/dbraw/zinc/20/38/88/847203888.db2.gz NUCOVEVRDKXGFG-CYBMUJFWSA-N 0 0 424.486 4.011 20 5 HIBDRN NC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 ZINC000026836284 847204936 /nfs/dbraw/zinc/20/49/36/847204936.db2.gz BAYDYOLXCAQFNA-UHFFFAOYSA-N 0 0 408.439 4.489 20 5 HIBDRN COC(=O)c1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1Cl ZINC000026883342 847213948 /nfs/dbraw/zinc/21/39/48/847213948.db2.gz KXMVXPWTBKWGMO-UHFFFAOYSA-N 0 0 420.852 4.233 20 5 HIBDRN CCC(C)(C)C1CCC(NC(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])CC1 ZINC000026895921 847217510 /nfs/dbraw/zinc/21/75/10/847217510.db2.gz GESSYRFVWTXTIW-UHFFFAOYSA-N 0 0 422.522 4.353 20 5 HIBDRN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000026903004 847220067 /nfs/dbraw/zinc/22/00/67/847220067.db2.gz VYKKZMADYVUZLG-UHFFFAOYSA-N 0 0 409.486 4.057 20 5 HIBDRN COc1cc(C(=O)N(C)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC(F)F ZINC000026967461 847227244 /nfs/dbraw/zinc/22/72/44/847227244.db2.gz YZTJVNMUSYXGQO-UHFFFAOYSA-N 0 0 409.370 4.091 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)c3nc4ccccc4s3)cc2)c(C)c1[N+](=O)[O-] ZINC000026964922 847227333 /nfs/dbraw/zinc/22/73/33/847227333.db2.gz WUZSHUWHYASMSB-UHFFFAOYSA-N 0 0 421.482 4.343 20 5 HIBDRN CSc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000027184031 847264206 /nfs/dbraw/zinc/26/42/06/847264206.db2.gz OUPOXZBXGFVXKD-UHFFFAOYSA-N 0 0 400.378 4.188 20 5 HIBDRN NC(=O)N[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Oc2ccccc2)c1 ZINC000027343972 847285947 /nfs/dbraw/zinc/28/59/47/847285947.db2.gz WEFCWHIYUOGMLK-HXUWFJFHSA-N 0 0 420.425 4.125 20 5 HIBDRN COc1cc(CN(C)Cc2nc3ccccc3s2)c([N+](=O)[O-])cc1OC(F)F ZINC000027367093 847291212 /nfs/dbraw/zinc/29/12/12/847291212.db2.gz XHTYWCLFZICFKP-UHFFFAOYSA-N 0 0 409.414 4.447 20 5 HIBDRN CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000027471147 847308319 /nfs/dbraw/zinc/30/83/19/847308319.db2.gz MAJJOGUHZSXETK-UHFFFAOYSA-N 0 0 411.502 4.304 20 5 HIBDRN CN(Cc1ccccc1Br)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000027503710 847315239 /nfs/dbraw/zinc/31/52/39/847315239.db2.gz HQCGFAPAFFISLJ-UHFFFAOYSA-N 0 0 418.291 4.230 20 5 HIBDRN COc1ccc(CSCC(=O)NCCc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000027677006 847335251 /nfs/dbraw/zinc/33/52/51/847335251.db2.gz PZQRIVYGOGNVHM-UHFFFAOYSA-N 0 0 410.495 4.349 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2CCSc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000028045665 847379771 /nfs/dbraw/zinc/37/97/71/847379771.db2.gz QTUSEGKSMNXNNP-HNNXBMFYSA-N 0 0 422.503 4.329 20 5 HIBDRN Cc1cccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000028194988 847395026 /nfs/dbraw/zinc/39/50/26/847395026.db2.gz MPCKTLZUKVBIJW-UHFFFAOYSA-N 0 0 413.437 4.332 20 5 HIBDRN CCOc1ccc(OCC)c(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])c1 ZINC000028250084 847399490 /nfs/dbraw/zinc/39/94/90/847399490.db2.gz ZIKCYHJWOMLZIA-UHFFFAOYSA-N 0 0 404.419 4.052 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000028328701 847407376 /nfs/dbraw/zinc/40/73/76/847407376.db2.gz CTJRWDWTNLTDIT-KDOFPFPSSA-N 0 0 414.483 4.210 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000028424278 847420517 /nfs/dbraw/zinc/42/05/17/847420517.db2.gz WIVCMAUIJNMPEU-CVEARBPZSA-N 0 0 406.438 4.479 20 5 HIBDRN O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000028470774 847424827 /nfs/dbraw/zinc/42/48/27/847424827.db2.gz FBJWZYVVUNJXHB-UHFFFAOYSA-N 0 0 420.824 4.381 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2[N+](=O)[O-])C1 ZINC000028491247 847426430 /nfs/dbraw/zinc/42/64/30/847426430.db2.gz BKAPZCIYYMYNCG-OALUTQOASA-N 0 0 422.529 4.040 20 5 HIBDRN CCCn1c(=O)c2ccccc2nc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000028614755 847437436 /nfs/dbraw/zinc/43/74/36/847437436.db2.gz SOELZMFJNYUJSM-UHFFFAOYSA-N 0 0 423.454 4.057 20 5 HIBDRN COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000028659969 847441420 /nfs/dbraw/zinc/44/14/20/847441420.db2.gz XGULJJAGQZCXTM-OAQYLSRUSA-N 0 0 405.410 4.076 20 5 HIBDRN CC(C)NC(=O)c1ccc(NC[C@@H](c2ccccc2Cl)N(C)C)c([N+](=O)[O-])c1 ZINC000028751906 847456027 /nfs/dbraw/zinc/45/60/27/847456027.db2.gz NJUJUEDAJOLAOJ-IBGZPJMESA-N 0 0 404.898 4.101 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000028790363 847461858 /nfs/dbraw/zinc/46/18/58/847461858.db2.gz YSBNNKMAWVFNCV-UHFFFAOYSA-N 0 0 407.426 4.059 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Nc2cc(C(C)(C)C)ccc2OC)c([N+](=O)[O-])c1 ZINC000028799904 847462891 /nfs/dbraw/zinc/46/28/91/847462891.db2.gz MOBFTLFEJNYJSY-CYBMUJFWSA-N 0 0 401.463 4.349 20 5 HIBDRN O=C(Nc1n[nH]c(-c2ccccc2Br)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000028899655 847475350 /nfs/dbraw/zinc/47/53/50/847475350.db2.gz VUKWPSHYQJAFOE-UHFFFAOYSA-N 0 0 422.626 4.048 20 5 HIBDRN NC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)ccc1Cl ZINC000029018349 847493240 /nfs/dbraw/zinc/49/32/40/847493240.db2.gz DCSVSEXWGWPVDC-UHFFFAOYSA-N 0 0 424.844 4.212 20 5 HIBDRN Cc1nc(-c2ccc([C@H](C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cs1 ZINC000029106077 847506900 /nfs/dbraw/zinc/50/69/00/847506900.db2.gz VUWZNXBHXQRVKB-NSHDSACASA-N 0 0 412.427 4.426 20 5 HIBDRN CC[C@H](Nc1ccc(C(=O)N[C@@H](C)C(=O)OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000436442184 861803659 /nfs/dbraw/zinc/80/36/59/861803659.db2.gz NHRFPKBPCKDYRO-LRDDRELGSA-N 0 0 419.865 4.103 20 5 HIBDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000029444486 847564759 /nfs/dbraw/zinc/56/47/59/847564759.db2.gz HQBAMJSJBYQENG-CQSZACIVSA-N 0 0 416.449 4.408 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000436448308 861806986 /nfs/dbraw/zinc/80/69/86/861806986.db2.gz CLZKPDZSNYTJIY-OAHLLOKOSA-N 0 0 422.766 4.011 20 5 HIBDRN Cc1cc(CN(C)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)no1 ZINC000029726506 847609917 /nfs/dbraw/zinc/60/99/17/847609917.db2.gz JJCAWUZGDQNFQL-IBGZPJMESA-N 0 0 414.849 4.356 20 5 HIBDRN CC(C)n1c(=O)c2ccccc2nc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000029865078 847636950 /nfs/dbraw/zinc/63/69/50/847636950.db2.gz WVZFEPYBGZADKR-UHFFFAOYSA-N 0 0 423.454 4.228 20 5 HIBDRN O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029936409 847654051 /nfs/dbraw/zinc/65/40/51/847654051.db2.gz FVOFSEQJABQYJX-NRFANRHFSA-N 0 0 411.458 4.064 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000029952458 847658152 /nfs/dbraw/zinc/65/81/52/847658152.db2.gz FSDGMYSBFNRFLR-UHFFFAOYSA-N 0 0 419.340 4.421 20 5 HIBDRN CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2C)s1 ZINC000030157122 847683478 /nfs/dbraw/zinc/68/34/78/847683478.db2.gz DXJLVSSRSQSGPY-UHFFFAOYSA-N 0 0 422.513 4.038 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000030326904 847703111 /nfs/dbraw/zinc/70/31/11/847703111.db2.gz PHHUJAKIIMXZKK-UHFFFAOYSA-N 0 0 420.424 4.308 20 5 HIBDRN CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000030426671 847714678 /nfs/dbraw/zinc/71/46/78/847714678.db2.gz PSQQTXURJXZGIU-AWEZNQCLSA-N 0 0 400.909 4.316 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H](C)c3cnn(C)c3C)cc2[N+](=O)[O-])n1 ZINC000031596921 847914279 /nfs/dbraw/zinc/91/42/79/847914279.db2.gz APYFTVHMJDNAGJ-NSHDSACASA-N 0 0 417.516 4.044 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H](C)c3cnn(C)c3C)cc2[N+](=O)[O-])n1 ZINC000031596917 847914444 /nfs/dbraw/zinc/91/44/44/847914444.db2.gz APYFTVHMJDNAGJ-LLVKDONJSA-N 0 0 417.516 4.044 20 5 HIBDRN CSc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 ZINC000031710134 847934739 /nfs/dbraw/zinc/93/47/39/847934739.db2.gz ZIKGZFFBHOEJQD-UHFFFAOYSA-N 0 0 414.224 4.174 20 5 HIBDRN CCn1c(=O)c2cc3ccccc3cc2nc1S[C@H](C(=O)N1CCCC1)C(C)C ZINC000031747677 847942574 /nfs/dbraw/zinc/94/25/74/847942574.db2.gz VZICJTNSCQFRKI-FQEVSTJZSA-N 0 0 409.555 4.309 20 5 HIBDRN CC(=O)NCc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)s1 ZINC000031767688 847945672 /nfs/dbraw/zinc/94/56/72/847945672.db2.gz ALQLLWJZYRAOCU-UHFFFAOYSA-N 0 0 424.478 4.145 20 5 HIBDRN CC(C)(C)C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000031801243 847952470 /nfs/dbraw/zinc/95/24/70/847952470.db2.gz XQPSCHILAGBXMX-INIZCTEOSA-N 0 0 415.515 4.080 20 5 HIBDRN Cc1ccc(-n2cnnc2SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)c1 ZINC000031844143 847958220 /nfs/dbraw/zinc/95/82/20/847958220.db2.gz ZDMGIUMAPSOMGR-UHFFFAOYSA-N 0 0 408.443 4.135 20 5 HIBDRN Cc1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)ccc1[N+](=O)[O-] ZINC000031895719 847962909 /nfs/dbraw/zinc/96/29/09/847962909.db2.gz AFUAACLXIRBJIV-GOSISDBHSA-N 0 0 405.857 4.263 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1OCC ZINC000032243571 847993195 /nfs/dbraw/zinc/99/31/95/847993195.db2.gz MCMNGQKJDYMIGK-OAHLLOKOSA-N 0 0 424.457 4.069 20 5 HIBDRN C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000032479984 848036888 /nfs/dbraw/zinc/03/68/88/848036888.db2.gz NXMNMHWFMVVJDL-LBPRGKRZSA-N 0 0 415.247 4.034 20 5 HIBDRN COc1ccccc1-c1csc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000032580714 848049123 /nfs/dbraw/zinc/04/91/23/848049123.db2.gz XOLWOQCUMPLIBJ-UHFFFAOYSA-N 0 0 421.438 4.165 20 5 HIBDRN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1Cl ZINC000032801217 848077702 /nfs/dbraw/zinc/07/77/02/848077702.db2.gz DLUGXNWICFNGFT-SNVBAGLBSA-N 0 0 412.671 4.300 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ncc(Cc2ccccc2Cl)s1 ZINC000032856755 848084407 /nfs/dbraw/zinc/08/44/07/848084407.db2.gz CGEIUBLWMGUJTI-UHFFFAOYSA-N 0 0 403.847 4.313 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1 ZINC000033015803 848100558 /nfs/dbraw/zinc/10/05/58/848100558.db2.gz OXPIMRSZPCASFV-UHFFFAOYSA-N 0 0 421.365 4.083 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000033180089 848119994 /nfs/dbraw/zinc/11/99/94/848119994.db2.gz UJLQANGZNUKZPG-MSOLQXFVSA-N 0 0 422.510 4.483 20 5 HIBDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c12 ZINC000036644614 848152215 /nfs/dbraw/zinc/15/22/15/848152215.db2.gz RDDSZVVNHDXJRL-UHFFFAOYSA-N 0 0 401.426 4.413 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000036718694 848157672 /nfs/dbraw/zinc/15/76/72/848157672.db2.gz XTSCDJVKTBRJBN-UHFFFAOYSA-N 0 0 406.398 4.500 20 5 HIBDRN CC(=O)Nc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000036796259 848162860 /nfs/dbraw/zinc/16/28/60/848162860.db2.gz WDRLXSIGLJKFQZ-UHFFFAOYSA-N 0 0 424.276 4.047 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 ZINC000036802162 848164783 /nfs/dbraw/zinc/16/47/83/848164783.db2.gz ALPHKXBISLCGND-LLVKDONJSA-N 0 0 403.489 4.054 20 5 HIBDRN Cc1cc(NC2CCN(C(=O)c3ccccc3O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000436623029 861873723 /nfs/dbraw/zinc/87/37/23/861873723.db2.gz FREQCRMRSHZAPS-UHFFFAOYSA-N 0 0 423.391 4.344 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc(COCc2ccco2)c1 ZINC000041420653 848214905 /nfs/dbraw/zinc/21/49/05/848214905.db2.gz YWAUSGQJUVUZSE-UHFFFAOYSA-N 0 0 412.467 4.313 20 5 HIBDRN CN(C)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(C(F)(F)F)c1 ZINC000041844078 848257343 /nfs/dbraw/zinc/25/73/43/848257343.db2.gz JKSPLKHOKCFGAW-UHFFFAOYSA-N 0 0 419.363 4.118 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 ZINC000041948500 848267478 /nfs/dbraw/zinc/26/74/78/848267478.db2.gz DXTNANXDQYHWHB-UHFFFAOYSA-N 0 0 409.398 4.360 20 5 HIBDRN COc1cc(C)ccc1Oc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000041948075 848267669 /nfs/dbraw/zinc/26/76/69/848267669.db2.gz LJSDENZLMPGTHA-UHFFFAOYSA-N 0 0 409.398 4.117 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000042003200 848273041 /nfs/dbraw/zinc/27/30/41/848273041.db2.gz CEYMJTAYXOXBFN-QGZVFWFLSA-N 0 0 417.465 4.179 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000042114562 848287908 /nfs/dbraw/zinc/28/79/08/848287908.db2.gz CFGUCBNSYSPJCA-UHFFFAOYSA-N 0 0 403.847 4.039 20 5 HIBDRN COc1cc(-c2nnc(SCCc3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC ZINC000042128968 848289794 /nfs/dbraw/zinc/28/97/94/848289794.db2.gz FVCUMUXISSERGV-UHFFFAOYSA-N 0 0 417.443 4.005 20 5 HIBDRN O=C(c1c2c(sc1-n1cccc1)CSCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000042697488 848345489 /nfs/dbraw/zinc/34/54/89/848345489.db2.gz PNZMTZLKOVQYEO-UHFFFAOYSA-N 0 0 411.508 4.439 20 5 HIBDRN C[C@H](Nc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000042855091 848359760 /nfs/dbraw/zinc/35/97/60/848359760.db2.gz NGGXYZWOFNZBDZ-ZDUSSCGKSA-N 0 0 410.455 4.348 20 5 HIBDRN C[C@@H](Nc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000042854994 848360179 /nfs/dbraw/zinc/36/01/79/848360179.db2.gz HXYUFKGPTXHOLW-CYBMUJFWSA-N 0 0 410.455 4.348 20 5 HIBDRN COc1ccc(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000043092940 848383374 /nfs/dbraw/zinc/38/33/74/848383374.db2.gz WBSFAVYZUPVSGJ-OAHLLOKOSA-N 0 0 419.437 4.347 20 5 HIBDRN O=C(Nc1cccc(F)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000043155754 848391035 /nfs/dbraw/zinc/39/10/35/848391035.db2.gz ZQUMMWNEBTXLNY-UHFFFAOYSA-N 0 0 412.343 4.107 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(Br)c1 ZINC000043328233 848408752 /nfs/dbraw/zinc/40/87/52/848408752.db2.gz KZKCDEXWODNQLP-UHFFFAOYSA-N 0 0 419.279 4.020 20 5 HIBDRN CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000043342241 848411077 /nfs/dbraw/zinc/41/10/77/848411077.db2.gz JCEXKRHEZXOGDO-UHFFFAOYSA-N 0 0 404.854 4.052 20 5 HIBDRN Cc1cc(F)ccc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000043421311 848422086 /nfs/dbraw/zinc/42/20/86/848422086.db2.gz UOBPQTAKWLVWRV-KRWDZBQOSA-N 0 0 403.410 4.247 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)Nc1nc(C2CC2)cs1)c1ccccc1[N+](=O)[O-] ZINC000043650611 848445745 /nfs/dbraw/zinc/44/57/45/848445745.db2.gz 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COc1ccc(-c2nc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)sc2C)cc1 ZINC000044653234 848589180 /nfs/dbraw/zinc/58/91/80/848589180.db2.gz HAIUERXQEDTHPQ-UHFFFAOYSA-N 0 0 409.427 4.164 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cc1OC ZINC000045413830 848677730 /nfs/dbraw/zinc/67/77/30/848677730.db2.gz UMZKHKDWAZGMAI-AWEZNQCLSA-N 0 0 402.447 4.280 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000436749745 861932129 /nfs/dbraw/zinc/93/21/29/861932129.db2.gz BXIILFPJBUSFSA-UHFFFAOYSA-N 0 0 410.348 4.003 20 5 HIBDRN C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000045624226 848703931 /nfs/dbraw/zinc/70/39/31/848703931.db2.gz PUNGWYIBPLSHTJ-MRXNPFEDSA-N 0 0 406.442 4.129 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])cc1OC(F)F ZINC000045667968 848709817 /nfs/dbraw/zinc/70/98/17/848709817.db2.gz QNBFWLHHXSORKE-SNVBAGLBSA-N 0 0 406.341 4.442 20 5 HIBDRN COc1cc(C(=O)N(C)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC(F)F 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OISNEIDUEZZPDR-SECBINFHSA-N 0 0 400.403 4.374 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc(Br)ccc2C)c([N+](=O)[O-])cc1OC ZINC000046373703 848835018 /nfs/dbraw/zinc/83/50/18/848835018.db2.gz YXMIDXNZTMTFDE-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN O=C(Nc1cccc(OCc2cccnc2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000046536397 848869656 /nfs/dbraw/zinc/86/96/56/848869656.db2.gz PLXKYXUXJCUFPH-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 ZINC000046568284 848875837 /nfs/dbraw/zinc/87/58/37/848875837.db2.gz DRVWFIKXQQGPDS-UHFFFAOYSA-N 0 0 406.641 4.087 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)COc2ccccc2[N+](=O)[O-])n(-c2ccc(F)cc2)n1 ZINC000046661513 848902112 /nfs/dbraw/zinc/90/21/12/848902112.db2.gz IHRXYPRHPXYPAK-UHFFFAOYSA-N 0 0 412.421 4.235 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000046672131 848904327 /nfs/dbraw/zinc/90/43/27/848904327.db2.gz FWSZDAMOZVGPIB-HNNXBMFYSA-N 0 0 407.426 4.068 20 5 HIBDRN O=C(Nc1cccc(COCc2ccco2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000046675692 848907054 /nfs/dbraw/zinc/90/70/54/848907054.db2.gz RSVPSPGFANSHJT-UHFFFAOYSA-N 0 0 418.409 4.343 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000046734092 848922627 /nfs/dbraw/zinc/92/26/27/848922627.db2.gz UQRZVVKOJFJUJW-UHFFFAOYSA-N 0 0 407.401 4.476 20 5 HIBDRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000046901281 848956034 /nfs/dbraw/zinc/95/60/34/848956034.db2.gz SKLPMIGVUWJFHV-UHFFFAOYSA-N 0 0 404.451 4.439 20 5 HIBDRN C[C@H](Cc1ccc(Br)cc1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000047125596 848988376 /nfs/dbraw/zinc/98/83/76/848988376.db2.gz YZONMPBGUGXLJV-CYBMUJFWSA-N 0 0 406.280 4.130 20 5 HIBDRN O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000047267459 849017774 /nfs/dbraw/zinc/01/77/74/849017774.db2.gz VSTCYUVDSCWZHO-IBGZPJMESA-N 0 0 409.829 4.358 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000047371780 849034375 /nfs/dbraw/zinc/03/43/75/849034375.db2.gz BLMLHSLUVHLUHT-UHFFFAOYSA-N 0 0 415.409 4.064 20 5 HIBDRN Cc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccccc1 ZINC000047448124 849049931 /nfs/dbraw/zinc/04/99/31/849049931.db2.gz AAQCWPHSFFOQRM-UHFFFAOYSA-N 0 0 403.438 4.428 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000048206057 849190169 /nfs/dbraw/zinc/19/01/69/849190169.db2.gz FDJHAEJNCXQEER-UHFFFAOYSA-N 0 0 405.439 4.035 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(OC(F)(F)F)cc2)c1 ZINC000049128620 849292768 /nfs/dbraw/zinc/29/27/68/849292768.db2.gz COVLWLNKNQOXDQ-UHFFFAOYSA-N 0 0 400.378 4.188 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1OC ZINC000049766432 849327031 /nfs/dbraw/zinc/32/70/31/849327031.db2.gz QIXNTYMRBBDZRT-UHFFFAOYSA-N 0 0 415.446 4.157 20 5 HIBDRN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050293259 849368829 /nfs/dbraw/zinc/36/88/29/849368829.db2.gz BWVRPSWXROUZFY-UHFFFAOYSA-N 0 0 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O=[N+]([O-])c1ccc(-c2nccn2C[C@H](O)COc2cc(Cl)ccc2Cl)cc1 ZINC000051451908 849471257 /nfs/dbraw/zinc/47/12/57/849471257.db2.gz HNFQRCRVBYNVJB-HNNXBMFYSA-N 0 0 408.241 4.205 20 5 HIBDRN Cc1cc(N2CCSCC2)ccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000051648923 849498086 /nfs/dbraw/zinc/49/80/86/849498086.db2.gz AVOWLDKDXKCAJG-HNNXBMFYSA-N 0 0 400.504 4.339 20 5 HIBDRN CCN(CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1c(Cl)cccc1Cl ZINC000052310365 849569801 /nfs/dbraw/zinc/56/98/01/849569801.db2.gz ZUXSPYCDJSXZHW-UHFFFAOYSA-N 0 0 412.273 4.241 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCN(c3ncc(Cl)cc3Cl)CC2)c2ccncc21 ZINC000052431688 849581662 /nfs/dbraw/zinc/58/16/62/849581662.db2.gz IIJDDIOCWBAVJC-UHFFFAOYSA-N 0 0 404.257 4.171 20 5 HIBDRN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000052565765 849597210 /nfs/dbraw/zinc/59/72/10/849597210.db2.gz QZQQPFIIDHQGIH-UHFFFAOYSA-N 0 0 406.320 4.178 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000052585809 849598401 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ZINC000147119083 853582895 /nfs/dbraw/zinc/58/28/95/853582895.db2.gz CCRXWDDMJNUOFE-LJQANCHMSA-N 0 0 410.401 4.293 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)c1 ZINC000147323026 853586096 /nfs/dbraw/zinc/58/60/96/853586096.db2.gz PTUHQTFXJAUIKR-UHFFFAOYSA-N 0 0 411.458 4.227 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1Cl ZINC000147399387 853587613 /nfs/dbraw/zinc/58/76/13/853587613.db2.gz UEOYFSKSHNJWAL-UHFFFAOYSA-N 0 0 419.865 4.428 20 5 HIBDRN CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437255388 862480983 /nfs/dbraw/zinc/48/09/83/862480983.db2.gz FJNVCYAFTJZOFY-UHFFFAOYSA-N 0 0 401.728 4.478 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCc3c(C)noc3C)cc2[N+](=O)[O-])n1 ZINC000148226690 853604028 /nfs/dbraw/zinc/60/40/28/853604028.db2.gz PFLCRHPNYFKQKB-UHFFFAOYSA-N 0 0 404.473 4.046 20 5 HIBDRN COC[C@H](C)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000149347523 853624205 /nfs/dbraw/zinc/62/42/05/853624205.db2.gz 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Cc1cccc(N(CCC(N)=O)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000303014422 854723507 /nfs/dbraw/zinc/72/35/07/854723507.db2.gz KZNDDAGTOJRAML-UHFFFAOYSA-N 0 0 418.453 4.169 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)cc1OC ZINC000303081688 854752720 /nfs/dbraw/zinc/75/27/20/854752720.db2.gz DNGVYFLRSYBBOD-UHFFFAOYSA-N 0 0 410.430 4.398 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c2ncccc12 ZINC000303109957 854765197 /nfs/dbraw/zinc/76/51/97/854765197.db2.gz BIDOJFLBIODLOQ-FQEVSTJZSA-N 0 0 412.877 4.282 20 5 HIBDRN COc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000303180411 854804558 /nfs/dbraw/zinc/80/45/58/854804558.db2.gz KPBILTMJTWJXAL-MRXNPFEDSA-N 0 0 410.879 4.091 20 5 HIBDRN COc1cc(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000303278128 854847863 /nfs/dbraw/zinc/84/78/63/854847863.db2.gz HZGNSZSMXOVGPM-UHFFFAOYSA-N 0 0 411.439 4.098 20 5 HIBDRN O=C(NCCCc1c[nH]c2ccccc12)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303296755 854858336 /nfs/dbraw/zinc/85/83/36/854858336.db2.gz NSRYCPFDLZRELZ-UHFFFAOYSA-N 0 0 406.486 4.042 20 5 HIBDRN CCCc1n[nH]c(C(=O)N2CCC(c3c[nH]c4c3cccc4CC)CC2)c1[N+](=O)[O-] ZINC000303318804 854870251 /nfs/dbraw/zinc/87/02/51/854870251.db2.gz AOEFTSQJDPMOBG-UHFFFAOYSA-N 0 0 409.490 4.334 20 5 HIBDRN CC(C)(NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000303374745 854897857 /nfs/dbraw/zinc/89/78/57/854897857.db2.gz KIYVZBWEACRXJH-UHFFFAOYSA-N 0 0 420.256 4.147 20 5 HIBDRN CN(Cc1cccc2ccccc21)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000303438892 854938825 /nfs/dbraw/zinc/93/88/25/854938825.db2.gz HJUKORKZOXRGEU-GOSISDBHSA-N 0 0 423.494 4.073 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303480497 854975117 /nfs/dbraw/zinc/97/51/17/854975117.db2.gz PUCBMTQGZWNRFP-UHFFFAOYSA-N 0 0 421.457 4.326 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303483487 854976632 /nfs/dbraw/zinc/97/66/32/854976632.db2.gz UHPREPIQHUSWLT-UHFFFAOYSA-N 0 0 422.441 4.394 20 5 HIBDRN CCCCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000303527476 855014605 /nfs/dbraw/zinc/01/46/05/855014605.db2.gz VZTKIOYIXCPFAJ-INIZCTEOSA-N 0 0 401.488 4.242 20 5 HIBDRN O=C(NCCc1cc(Br)ccc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303536523 855022698 /nfs/dbraw/zinc/02/26/98/855022698.db2.gz XPXFFXTUFQGXKH-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN CCOC[C@@H]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000303565592 855043344 /nfs/dbraw/zinc/04/33/44/855043344.db2.gz INFAFHJFYOMSNH-DLBZAZTESA-N 0 0 412.490 4.052 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000303599920 855070236 /nfs/dbraw/zinc/07/02/36/855070236.db2.gz JSOCRGJLUCYJMI-LJAQVGFWSA-N 0 0 410.451 4.164 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000303616606 855079526 /nfs/dbraw/zinc/07/95/26/855079526.db2.gz CLAWUBGHTZDRGE-LJAQVGFWSA-N 0 0 416.499 4.437 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1 ZINC000303648173 855103261 /nfs/dbraw/zinc/10/32/61/855103261.db2.gz SRTLRPJPVDHQQW-GDLZYMKVSA-N 0 0 410.451 4.164 20 5 HIBDRN C[C@H]1SCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000303651986 855107384 /nfs/dbraw/zinc/10/73/84/855107384.db2.gz BIWWTFATTWNTPL-BFUOFWGJSA-N 0 0 405.907 4.365 20 5 HIBDRN C[C@@H](O)C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000303653553 855107813 /nfs/dbraw/zinc/10/78/13/855107813.db2.gz BRRGTFLWKAAXIE-CYBMUJFWSA-N 0 0 404.850 4.274 20 5 HIBDRN CC(C)C[C@@H]1COCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000303662072 855114362 /nfs/dbraw/zinc/11/43/62/855114362.db2.gz VTNRAWOKSRVFHA-FUHWJXTLSA-N 0 0 412.490 4.050 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000303667840 855119928 /nfs/dbraw/zinc/11/99/28/855119928.db2.gz YADXJMYJIUDLQT-AWEZNQCLSA-N 0 0 404.463 4.285 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000303674738 855124376 /nfs/dbraw/zinc/12/43/76/855124376.db2.gz QCJKSQYMYYHTIP-MUUNZHRXSA-N 0 0 401.488 4.132 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCSC[C@H]2c2ccc(Cl)cc2)c2c(c1)COCO2 ZINC000303690928 855135731 /nfs/dbraw/zinc/13/57/31/855135731.db2.gz VHFGRQGKEDCFPU-SFHVURJKSA-N 0 0 406.891 4.405 20 5 HIBDRN Cn1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437362184 862649132 /nfs/dbraw/zinc/64/91/32/862649132.db2.gz CPXJJOQWFPRCAM-KBXCAEBGSA-N 0 0 414.824 4.074 20 5 HIBDRN CCOc1cc(C(=O)NCC2(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000303762000 855180789 /nfs/dbraw/zinc/18/07/89/855180789.db2.gz FGOLSZYHZHFNLA-UHFFFAOYSA-N 0 0 404.850 4.117 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000303762682 855182048 /nfs/dbraw/zinc/18/20/48/855182048.db2.gz LENHVHRBAFXPRH-HOTGVXAUSA-N 0 0 408.332 4.142 20 5 HIBDRN O=[N+]([O-])c1ccc(CCCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000303792327 855200101 /nfs/dbraw/zinc/20/01/01/855200101.db2.gz IHYJDTAHNGTPRH-UHFFFAOYSA-N 0 0 417.314 4.344 20 5 HIBDRN CCOc1cc(NC(=O)NC2(c3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OCC ZINC000303819095 855221140 /nfs/dbraw/zinc/22/11/40/855221140.db2.gz MMVADXBFBHJGNU-UHFFFAOYSA-N 0 0 403.410 4.342 20 5 HIBDRN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000303820684 855222018 /nfs/dbraw/zinc/22/20/18/855222018.db2.gz MWXJBEZEUGHLRI-UHFFFAOYSA-N 0 0 423.469 4.030 20 5 HIBDRN CC(C)(C)Oc1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 ZINC000303821434 855222946 /nfs/dbraw/zinc/22/29/46/855222946.db2.gz ABSJQYKNLMVOIN-UHFFFAOYSA-N 0 0 413.430 4.099 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000437365623 862654797 /nfs/dbraw/zinc/65/47/97/862654797.db2.gz RKZVDGAEWLXHDU-XHDPSFHLSA-N 0 0 413.630 4.436 20 5 HIBDRN CC1CCN(c2cccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)c2)CC1 ZINC000303824606 855225636 /nfs/dbraw/zinc/22/56/36/855225636.db2.gz PXIXEMQOCKHQKS-UHFFFAOYSA-N 0 0 405.458 4.269 20 5 HIBDRN Cc1ccc(-c2nc(CC(=O)NCCCNc3ccc(C)cc3[N+](=O)[O-])cs2)cc1 ZINC000303891970 855272479 /nfs/dbraw/zinc/27/24/79/855272479.db2.gz ZOXNMLYSRFUSGL-UHFFFAOYSA-N 0 0 424.526 4.496 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1SC ZINC000303896883 855275706 /nfs/dbraw/zinc/27/57/06/855275706.db2.gz SJFFVRFLMCSLHA-GXTWGEPZSA-N 0 0 404.463 4.483 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1SC ZINC000303896884 855275728 /nfs/dbraw/zinc/27/57/28/855275728.db2.gz SJFFVRFLMCSLHA-JSGCOSHPSA-N 0 0 404.463 4.483 20 5 HIBDRN COc1ccc(OCCSc2n[nH]c(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 ZINC000303958917 855321454 /nfs/dbraw/zinc/32/14/54/855321454.db2.gz YPNXQBWLYCTERD-UHFFFAOYSA-N 0 0 406.851 4.213 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000304004668 855339804 /nfs/dbraw/zinc/33/98/04/855339804.db2.gz KPRIFHVKOFMYIS-CQSZACIVSA-N 0 0 418.563 4.444 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])cn1 ZINC000304076361 855350726 /nfs/dbraw/zinc/35/07/26/855350726.db2.gz VFOGCCPJVBWAQG-UHFFFAOYSA-N 0 0 407.426 4.419 20 5 HIBDRN COc1ccc(C(=O)Nc2nc3ccccc3n2-c2ccccc2OC)cc1[N+](=O)[O-] ZINC000304081942 855351195 /nfs/dbraw/zinc/35/11/95/855351195.db2.gz VZCVPEXNEGXTRV-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000309854773 855365157 /nfs/dbraw/zinc/36/51/57/855365157.db2.gz AZDLWWDAHFPICA-LLVKDONJSA-N 0 0 400.273 4.169 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Br)ccc1Cl ZINC000315323218 855378344 /nfs/dbraw/zinc/37/83/44/855378344.db2.gz HWDZXHFIMBDYBU-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1ccc(I)cc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000319253871 855385460 /nfs/dbraw/zinc/38/54/60/855385460.db2.gz YOLIMKONDFCVLN-NSHDSACASA-N 0 0 410.211 4.250 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(F)cc1I)c1cccc([N+](=O)[O-])c1 ZINC000319622572 855385896 /nfs/dbraw/zinc/38/58/96/855385896.db2.gz NBOCAFAQTUEZKV-VIFPVBQESA-N 0 0 414.174 4.081 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000437377312 862685130 /nfs/dbraw/zinc/68/51/30/862685130.db2.gz UWIIRHYSDJJIPX-VBKZILBWSA-N 0 0 408.379 4.385 20 5 HIBDRN Cc1cc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)ccc1[N+](=O)[O-] ZINC000409496337 855508836 /nfs/dbraw/zinc/50/88/36/855508836.db2.gz WWQHTZNVQVWYST-UHFFFAOYSA-N 0 0 408.483 4.442 20 5 HIBDRN CC(C)(C)c1nc(CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])cs1 ZINC000409519211 855520357 /nfs/dbraw/zinc/52/03/57/855520357.db2.gz OICPUIIWDOULQU-UHFFFAOYSA-N 0 0 418.338 4.145 20 5 HIBDRN CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000409565071 855543169 /nfs/dbraw/zinc/54/31/69/855543169.db2.gz HMSJBRFEYNEXBR-IBGZPJMESA-N 0 0 411.849 4.235 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000409582761 855551945 /nfs/dbraw/zinc/55/19/45/855551945.db2.gz SEJDHVRWALNHMF-ISVAXAHUSA-N 0 0 417.256 4.064 20 5 HIBDRN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437382439 862696079 /nfs/dbraw/zinc/69/60/79/862696079.db2.gz HUVGDPZNFDHJEJ-HXUWFJFHSA-N 0 0 411.458 4.349 20 5 HIBDRN C[C@@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C(F)(F)F)cc1 ZINC000409656735 855587917 /nfs/dbraw/zinc/58/79/17/855587917.db2.gz KPKADGGPHWSUTR-SNVBAGLBSA-N 0 0 405.336 4.141 20 5 HIBDRN Cc1cc(F)cc([C@]2(F)CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C2)c1 ZINC000409666897 855592452 /nfs/dbraw/zinc/59/24/52/855592452.db2.gz DCHKAOBYRNORCR-QFIPXVFZSA-N 0 0 415.440 4.353 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000437384183 862698549 /nfs/dbraw/zinc/69/85/49/862698549.db2.gz ZHUNQOMGGGRHKX-HNAYVOBHSA-N 0 0 408.379 4.385 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000409739917 855629603 /nfs/dbraw/zinc/62/96/03/855629603.db2.gz YZBCGCUUGHMCQP-UHFFFAOYSA-N 0 0 408.311 4.120 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000409779583 855649576 /nfs/dbraw/zinc/64/95/76/855649576.db2.gz LSTZILFNWNCRHQ-OLZOCXBDSA-N 0 0 407.264 4.310 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H]3CCCC34CCOCC4)cc2[N+](=O)[O-])C1 ZINC000409799163 855659313 /nfs/dbraw/zinc/65/93/13/855659313.db2.gz GYJBYLYOPCDHGJ-LZJOCLMNSA-N 0 0 415.534 4.156 20 5 HIBDRN C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000409819427 855670845 /nfs/dbraw/zinc/67/08/45/855670845.db2.gz ZZYVWNBJBCDBMQ-JTQLQIEISA-N 0 0 406.320 4.155 20 5 HIBDRN CC(C)(C)n1nccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409850584 855687266 /nfs/dbraw/zinc/68/72/66/855687266.db2.gz ZSYRCCWVNQDTRT-UHFFFAOYSA-N 0 0 402.398 4.296 20 5 HIBDRN CC(C)S(=O)(=O)c1ccc(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000409854757 855690174 /nfs/dbraw/zinc/69/01/74/855690174.db2.gz KUQAOGGVQCYXGF-UHFFFAOYSA-N 0 0 422.528 4.039 20 5 HIBDRN Cc1nn(CCC(=O)N2C[C@@H](C)C[C@H]2c2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000409970183 855752212 /nfs/dbraw/zinc/75/22/12/855752212.db2.gz ITERIIVYTDFKLZ-SJCJKPOMSA-N 0 0 424.423 4.427 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000409970473 855752999 /nfs/dbraw/zinc/75/29/99/855752999.db2.gz KJCXGMDIHJJRJO-MLGOLLRUSA-N 0 0 410.396 4.118 20 5 HIBDRN COc1cc(C(=O)NC(C)(C)c2ccc(OCC(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000410035589 855789627 /nfs/dbraw/zinc/78/96/27/855789627.db2.gz DDZFHDQCAKSWHG-UHFFFAOYSA-N 0 0 416.474 4.312 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000410041115 855793385 /nfs/dbraw/zinc/79/33/85/855793385.db2.gz ADQWMRNMCNYLDN-DEOSSOPVSA-N 0 0 402.450 4.368 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)ccc1[N+](=O)[O-] ZINC000410041194 855793793 /nfs/dbraw/zinc/79/37/93/855793793.db2.gz AOCJXNSISLJQQU-QHCPKHFHSA-N 0 0 418.449 4.448 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437391309 862720669 /nfs/dbraw/zinc/72/06/69/862720669.db2.gz GQCPPNSGEOOHHQ-HNNXBMFYSA-N 0 0 410.474 4.320 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000410132486 855833545 /nfs/dbraw/zinc/83/35/45/855833545.db2.gz DFPVNVCSFRGKTL-SFHVURJKSA-N 0 0 420.872 4.024 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)[C@H]2CCOC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000410232520 855873273 /nfs/dbraw/zinc/87/32/73/855873273.db2.gz SEZYKVFSQPEOCJ-JSGCOSHPSA-N 0 0 420.849 4.204 20 5 HIBDRN CC(C)(C(=O)N[C@H]1CCOc2c(Br)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000410255347 855883680 /nfs/dbraw/zinc/88/36/80/855883680.db2.gz HZFXVQQJSFNCBX-INIZCTEOSA-N 0 0 419.275 4.275 20 5 HIBDRN C[C@H](C(=O)N[C@@H]1CCOc2c(Br)cccc21)c1ccc([N+](=O)[O-])cc1F ZINC000410263496 855888822 /nfs/dbraw/zinc/88/88/22/855888822.db2.gz HPNHRNPFCMCSNP-MGPLVRAMSA-N 0 0 423.238 4.240 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000410266140 855890180 /nfs/dbraw/zinc/89/01/80/855890180.db2.gz OZDCBIZMMPDADH-CYBMUJFWSA-N 0 0 421.247 4.010 20 5 HIBDRN COc1cccc(Cc2nnc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])s2)c1 ZINC000410296098 855912801 /nfs/dbraw/zinc/91/28/01/855912801.db2.gz HVVOZEGHUAJTCA-UHFFFAOYSA-N 0 0 416.484 4.020 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])cc1OC ZINC000410303022 855916217 /nfs/dbraw/zinc/91/62/17/855916217.db2.gz NZTSIDIRFJJZGZ-LBPRGKRZSA-N 0 0 413.455 4.227 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(N2CCc3ccccc32)CC1 ZINC000410323998 855928319 /nfs/dbraw/zinc/92/83/19/855928319.db2.gz INXZSCTZPFDHBR-UHFFFAOYSA-N 0 0 419.403 4.281 20 5 HIBDRN COc1cc(OCC(=O)NCc2ccccc2Sc2ccccc2)ccc1[N+](=O)[O-] ZINC000410372422 855958031 /nfs/dbraw/zinc/95/80/31/855958031.db2.gz VVKLJXALEZQPGO-UHFFFAOYSA-N 0 0 424.478 4.450 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000410400808 855976053 /nfs/dbraw/zinc/97/60/53/855976053.db2.gz CLCWVWWOUNBMIN-UHFFFAOYSA-N 0 0 424.310 4.113 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1[N+](=O)[O-] ZINC000410418818 855988126 /nfs/dbraw/zinc/98/81/26/855988126.db2.gz OIZXQDPHURKBCK-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN O=C(Nc1ccn(-c2ccccc2Cl)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000425919265 855999687 /nfs/dbraw/zinc/99/96/87/855999687.db2.gz OGLIAWKWLGDFRH-UHFFFAOYSA-N 0 0 411.849 4.630 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(c2ccc(O)cc2)CC1 ZINC000425954597 856015803 /nfs/dbraw/zinc/01/58/03/856015803.db2.gz NUOFXGVNGMPOCI-UHFFFAOYSA-N 0 0 419.275 4.012 20 5 HIBDRN CCCOc1c(Cl)cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OC ZINC000425978180 856026923 /nfs/dbraw/zinc/02/69/23/856026923.db2.gz XZUZKDXHSRGLHL-UHFFFAOYSA-N 0 0 408.886 4.079 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000425983187 856029815 /nfs/dbraw/zinc/02/98/15/856029815.db2.gz BCRIGCMSMIHYEG-UHFFFAOYSA-N 0 0 417.487 4.223 20 5 HIBDRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CCC(n3ccc([N+](=O)[O-])n3)CC1)CCC2 ZINC000425983533 856030653 /nfs/dbraw/zinc/03/06/53/856030653.db2.gz VIPPAHLXVAJVBT-FQEVSTJZSA-N 0 0 411.506 4.339 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(Cl)cccc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426005271 856041789 /nfs/dbraw/zinc/04/17/89/856041789.db2.gz RLYTZXDNKJIRNO-GOSISDBHSA-N 0 0 401.850 4.446 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000426040235 856065447 /nfs/dbraw/zinc/06/54/47/856065447.db2.gz TZXBZIQYWYUZMA-VHSXEESVSA-N 0 0 402.398 4.500 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426050619 856074164 /nfs/dbraw/zinc/07/41/64/856074164.db2.gz LURUPDISRBALMT-RTWAWAEBSA-N 0 0 413.449 4.328 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000426052696 856075346 /nfs/dbraw/zinc/07/53/46/856075346.db2.gz ZAXTXOMPNZUWOX-HNNXBMFYSA-N 0 0 413.474 4.356 20 5 HIBDRN Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000426059567 856079870 /nfs/dbraw/zinc/07/98/70/856079870.db2.gz PALCXINLWNAOJR-MRXNPFEDSA-N 0 0 409.446 4.061 20 5 HIBDRN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437405200 862759367 /nfs/dbraw/zinc/75/93/67/862759367.db2.gz LJYJLUVYVKHYDG-FQEVSTJZSA-N 0 0 411.458 4.349 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000426119900 856120431 /nfs/dbraw/zinc/12/04/31/856120431.db2.gz LVSHEWMWJCVVAU-INIZCTEOSA-N 0 0 415.465 4.494 20 5 HIBDRN C[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cc(Cl)ccc1Cl ZINC000426196398 856170473 /nfs/dbraw/zinc/17/04/73/856170473.db2.gz LITIDLYVEKLQFU-LLVKDONJSA-N 0 0 412.277 4.206 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000426197526 856170492 /nfs/dbraw/zinc/17/04/92/856170492.db2.gz CVUCCHKGLVFZQU-CRAIPNDOSA-N 0 0 423.391 4.191 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1ccccn1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426233243 856192143 /nfs/dbraw/zinc/19/21/43/856192143.db2.gz ZSIXVFKEGICXBO-JOCHJYFZSA-N 0 0 402.454 4.453 20 5 HIBDRN C[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1(c2ccccc2)CCCC1 ZINC000426247938 856200539 /nfs/dbraw/zinc/20/05/39/856200539.db2.gz IYDLBMWUYDUNJY-QGZVFWFLSA-N 0 0 411.506 4.038 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000426253622 856203651 /nfs/dbraw/zinc/20/36/51/856203651.db2.gz ASANTYOVQDKYAR-GFCCVEGCSA-N 0 0 414.409 4.159 20 5 HIBDRN C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000426255779 856205074 /nfs/dbraw/zinc/20/50/74/856205074.db2.gz ZNJJLQARBNLDDY-SSDOTTSWSA-N 0 0 408.789 4.284 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000426273188 856213390 /nfs/dbraw/zinc/21/33/90/856213390.db2.gz DVHWZUURTPDDGP-UHFFFAOYSA-N 0 0 423.391 4.441 20 5 HIBDRN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426280131 856217562 /nfs/dbraw/zinc/21/75/62/856217562.db2.gz SJQCZGZQIDQKRD-LBPRGKRZSA-N 0 0 411.380 4.092 20 5 HIBDRN C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426450082 856297156 /nfs/dbraw/zinc/29/71/56/856297156.db2.gz WWFCMJOAAARORB-HNNXBMFYSA-N 0 0 414.458 4.024 20 5 HIBDRN Cc1cccc(NC(=O)Nc2cccc3c2N(CCn2cc([N+](=O)[O-])cn2)CCC3)c1 ZINC000426455394 856299588 /nfs/dbraw/zinc/29/95/88/856299588.db2.gz BOWFVHAAUVADQE-UHFFFAOYSA-N 0 0 420.473 4.197 20 5 HIBDRN CC[C@]1(CO)CCCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000426462699 856303216 /nfs/dbraw/zinc/30/32/16/856303216.db2.gz RVMULIXCQXUCFP-GMAHTHKFSA-N 0 0 411.502 4.068 20 5 HIBDRN CC(C)(C)Oc1ccc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)nc1 ZINC000426568717 856353510 /nfs/dbraw/zinc/35/35/10/856353510.db2.gz SMXYMMVTYSULLN-UHFFFAOYSA-N 0 0 406.402 4.070 20 5 HIBDRN CC1(C)CCC[C@@H]1NC(=O)c1ccc(C(=O)N[C@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000426628000 856381748 /nfs/dbraw/zinc/38/17/48/856381748.db2.gz JNMRSFFVSFHIHY-ROUUACIJSA-N 0 0 401.507 4.212 20 5 HIBDRN CCc1nn(C)cc1-c1noc(-c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000426635867 856386099 /nfs/dbraw/zinc/38/60/99/856386099.db2.gz CBONPTDICSGMME-ZIAGYGMSSA-N 0 0 410.478 4.090 20 5 HIBDRN Cc1ccc(NC(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000437425787 862801467 /nfs/dbraw/zinc/80/14/67/862801467.db2.gz ZBLUWVITPCLUMM-HRAATJIYSA-N 0 0 413.474 4.350 20 5 HIBDRN O=C([O-])Cc1ccccc1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000426690963 856415136 /nfs/dbraw/zinc/41/51/36/856415136.db2.gz FDCUWGOQMGPAMG-UHFFFAOYSA-N 0 0 410.401 4.443 20 5 HIBDRN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000426691612 856415280 /nfs/dbraw/zinc/41/52/80/856415280.db2.gz JMEWRAUYEBTXMT-UHFFFAOYSA-N 0 0 422.437 4.170 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000426706500 856423805 /nfs/dbraw/zinc/42/38/05/856423805.db2.gz UFYMGLSQUJRPMA-PBHICJAKSA-N 0 0 403.866 4.119 20 5 HIBDRN C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C(=O)N3C[C@@H](C)CC[C@@H]3C)c([N+](=O)[O-])c2)C1 ZINC000426706382 856423883 /nfs/dbraw/zinc/42/38/83/856423883.db2.gz SINGGKMQKLUNLX-QZWWFDLISA-N 0 0 401.507 4.116 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+][C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426717297 856430856 /nfs/dbraw/zinc/43/08/56/856430856.db2.gz OHPSXCKRPKXMQV-SPLOXXLWSA-N 0 0 410.426 4.415 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000426733222 856441820 /nfs/dbraw/zinc/44/18/20/856441820.db2.gz LVZYDTMJOVPFOG-QGZVFWFLSA-N 0 0 408.241 4.168 20 5 HIBDRN O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426755755 856458911 /nfs/dbraw/zinc/45/89/11/856458911.db2.gz FRNAUPQLXBOKQV-GOSISDBHSA-N 0 0 418.808 4.433 20 5 HIBDRN C[C@@H]1CCCN(C(=O)c2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000426769511 856467739 /nfs/dbraw/zinc/46/77/39/856467739.db2.gz JMUXQBVDHODRFP-TWMKSMIVSA-N 0 0 401.507 4.116 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+][C@@H](Cc3cc(C)cc(C)c3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426771165 856468837 /nfs/dbraw/zinc/46/88/37/856468837.db2.gz ZHOGCHYSGZBDHY-FQEVSTJZSA-N 0 0 424.453 4.266 20 5 HIBDRN O=C(c1c[nH]cc1-c1ccccc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000426805258 856487978 /nfs/dbraw/zinc/48/79/78/856487978.db2.gz ZTXGTFCAYJAXMO-UHFFFAOYSA-N 0 0 409.417 4.413 20 5 HIBDRN CC(C)c1ccc(C[NH2+][C@@H](Cc2ccc(OC(F)F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426816603 856494279 /nfs/dbraw/zinc/49/42/79/856494279.db2.gz PWGIKXNOWCFVEK-KRWDZBQOSA-N 0 0 408.401 4.105 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000426840335 856507811 /nfs/dbraw/zinc/50/78/11/856507811.db2.gz MVTHQZONGBCGIS-OAHLLOKOSA-N 0 0 407.426 4.068 20 5 HIBDRN COC1CCC(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000426845489 856510213 /nfs/dbraw/zinc/51/02/13/856510213.db2.gz MHRFGFDJSKOFST-HNXFYBAISA-N 0 0 403.523 4.012 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H](c1ccco1)c1ccccc1 ZINC000426878806 856524513 /nfs/dbraw/zinc/52/45/13/856524513.db2.gz LOHREYPWVKQLKO-NRFANRHFSA-N 0 0 403.394 4.021 20 5 HIBDRN COc1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)ccc1C(F)(F)F ZINC000426918587 856541619 /nfs/dbraw/zinc/54/16/19/856541619.db2.gz LOUMZUKTKPKMMD-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427056178 856614054 /nfs/dbraw/zinc/61/40/54/856614054.db2.gz CHYISOPALIPZFC-INIZCTEOSA-N 0 0 406.438 4.240 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCc2ccc(O)cc2C1 ZINC000427056233 856614116 /nfs/dbraw/zinc/61/41/16/856614116.db2.gz CVZQYJMICJXJEU-UHFFFAOYSA-N 0 0 404.422 4.078 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000437461533 862824502 /nfs/dbraw/zinc/82/45/02/862824502.db2.gz VRIINDUQPOFBOC-UHFFFAOYSA-N 0 0 421.428 4.210 20 5 HIBDRN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc(Cc2ccccc2)no1 ZINC000427202581 856710260 /nfs/dbraw/zinc/71/02/60/856710260.db2.gz GTTGLDRZBHUAQL-GFCCVEGCSA-N 0 0 408.439 4.274 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@H](OCC2CC2)C1 ZINC000427208792 856713838 /nfs/dbraw/zinc/71/38/38/856713838.db2.gz IUUAUCQZMGERHM-FQEVSTJZSA-N 0 0 410.470 4.205 20 5 HIBDRN Cn1ccnc1SCc1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000437466361 862828815 /nfs/dbraw/zinc/82/88/15/862828815.db2.gz JUAMZTGWZHDNMC-UHFFFAOYSA-N 0 0 422.510 4.425 20 5 HIBDRN CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000427233988 856727254 /nfs/dbraw/zinc/72/72/54/856727254.db2.gz IGYQNGAULOZUKG-OALUTQOASA-N 0 0 416.547 4.251 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000427231997 856727510 /nfs/dbraw/zinc/72/75/10/856727510.db2.gz OJTJLZLXWXNVLL-CQSZACIVSA-N 0 0 408.458 4.357 20 5 HIBDRN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000427286619 856752166 /nfs/dbraw/zinc/75/21/66/856752166.db2.gz BBWAFRAXWNXJBW-BPFYBUMWSA-N 0 0 415.515 4.148 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000427320632 856769655 /nfs/dbraw/zinc/76/96/55/856769655.db2.gz MROHTWPSHXTLSN-UHFFFAOYSA-N 0 0 408.798 4.167 20 5 HIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000427356873 856790192 /nfs/dbraw/zinc/79/01/92/856790192.db2.gz JHTHELJVFAXOLP-TXEJJXNPSA-N 0 0 409.273 4.350 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000427381357 856801919 /nfs/dbraw/zinc/80/19/19/856801919.db2.gz FZIZMTQTWZDUBB-LBPRGKRZSA-N 0 0 411.277 4.405 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000427391820 856804014 /nfs/dbraw/zinc/80/40/14/856804014.db2.gz PSLJNHJDRNWAOR-UHFFFAOYSA-N 0 0 411.277 4.232 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CC[C@H]2CCC[C@H]21 ZINC000427396843 856805362 /nfs/dbraw/zinc/80/53/62/856805362.db2.gz UIEOCQQYZCPKRH-IUODEOHRSA-N 0 0 417.512 4.147 20 5 HIBDRN CCOC(=O)c1cc(COC)cc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000427428307 856815743 /nfs/dbraw/zinc/81/57/43/856815743.db2.gz MZVHIWKEYVYVHI-UHFFFAOYSA-N 0 0 411.414 4.185 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000427448339 856824252 /nfs/dbraw/zinc/82/42/52/856824252.db2.gz HRROHVBRNSRAAF-UHFFFAOYSA-N 0 0 407.879 4.062 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000437482905 862841222 /nfs/dbraw/zinc/84/12/22/862841222.db2.gz FBTOGYJAIXQXOE-ZHRRBRCNSA-N 0 0 421.453 4.055 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)Cc1cccc(F)c1 ZINC000427546722 856858628 /nfs/dbraw/zinc/85/86/28/856858628.db2.gz MUDCQADIYWPLAB-UHFFFAOYSA-N 0 0 406.479 4.117 20 5 HIBDRN O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000427561273 856866973 /nfs/dbraw/zinc/86/69/73/856866973.db2.gz BJHOUMKSEGRNEB-BTYIYWSLSA-N 0 0 414.483 4.172 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(N2CCCC2)cccc1N1CCCC1 ZINC000427597784 856883031 /nfs/dbraw/zinc/88/30/31/856883031.db2.gz YJXDSIGQSNTYGC-UHFFFAOYSA-N 0 0 410.474 4.056 20 5 HIBDRN CC(=O)N[C@@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000427604598 856885294 /nfs/dbraw/zinc/88/52/94/856885294.db2.gz PQSWZDCTZNBMLW-FQEVSTJZSA-N 0 0 415.877 4.007 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000427605571 856886265 /nfs/dbraw/zinc/88/62/65/856886265.db2.gz ATPVTRJUCIVVLZ-UHFFFAOYSA-N 0 0 417.849 4.135 20 5 HIBDRN CC(C)(C)CNC(=O)c1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437489690 862848069 /nfs/dbraw/zinc/84/80/69/862848069.db2.gz IYSPCFCBGRAYPL-UHFFFAOYSA-N 0 0 409.486 4.176 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000437497179 862853112 /nfs/dbraw/zinc/85/31/12/862853112.db2.gz NUBISOCKIYDTEX-YPFXGUDJSA-N 0 0 411.202 4.312 20 5 HIBDRN CSc1ccc(CCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 ZINC000437497041 862853195 /nfs/dbraw/zinc/85/31/95/862853195.db2.gz OQSSSTGQBXRYLJ-UHFFFAOYSA-N 0 0 414.405 4.230 20 5 HIBDRN O=C(c1cnn2c1nccc2-c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437500302 862855424 /nfs/dbraw/zinc/85/54/24/862855424.db2.gz XAPXBKVEHPRNLN-UHFFFAOYSA-N 0 0 413.437 4.109 20 5 HIBDRN COc1cccc(Nc2ccccc2C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000427806000 856963496 /nfs/dbraw/zinc/96/34/96/856963496.db2.gz JKTXYSULGTVRMV-UHFFFAOYSA-N 0 0 421.457 4.021 20 5 HIBDRN COCC(=O)N1CCc2cc(N[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000427876084 856990466 /nfs/dbraw/zinc/99/04/66/856990466.db2.gz LJIIVSZYPQUMGQ-XMMPIXPASA-N 0 0 417.465 4.332 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1nc(-c2cccc(F)c2)cs1 ZINC000427900274 856999601 /nfs/dbraw/zinc/99/96/01/856999601.db2.gz XOCWGSYXWVJEOF-UHFFFAOYSA-N 0 0 424.413 4.423 20 5 HIBDRN COc1ccc(CSCC(=O)N(CC2CCC2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000427911809 857002869 /nfs/dbraw/zinc/00/28/69/857002869.db2.gz GMLDHVSAEKWODD-UHFFFAOYSA-N 0 0 406.426 4.028 20 5 HIBDRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000427979459 857031075 /nfs/dbraw/zinc/03/10/75/857031075.db2.gz PDKOPHGMOGFMRD-UHFFFAOYSA-N 0 0 423.494 4.299 20 5 HIBDRN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c(CO)c2)cc1 ZINC000428089853 857068125 /nfs/dbraw/zinc/06/81/25/857068125.db2.gz VGRWTWSOFOHWEL-HXUWFJFHSA-N 0 0 412.486 4.127 20 5 HIBDRN O=C(C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)c1ccc(Cl)s1 ZINC000428193448 857105833 /nfs/dbraw/zinc/10/58/33/857105833.db2.gz PZOWYQXSWLRGFF-UHFFFAOYSA-N 0 0 406.769 4.084 20 5 HIBDRN Cc1ccc(Oc2ccccc2NC(=O)COc2ccc([N+](=O)[O-])c(CO)c2)cc1 ZINC000428236484 857122163 /nfs/dbraw/zinc/12/21/63/857122163.db2.gz GBCVPGCASUNGDO-UHFFFAOYSA-N 0 0 408.410 4.205 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000428260276 857131101 /nfs/dbraw/zinc/13/11/01/857131101.db2.gz MPDXYCDUKUXSHA-JTQLQIEISA-N 0 0 400.765 4.047 20 5 HIBDRN CCOc1cc(NC(=O)[C@@](C)(OC)c2ccccc2F)c([N+](=O)[O-])cc1OCC ZINC000428298862 857145687 /nfs/dbraw/zinc/14/56/87/857145687.db2.gz VOJWHZXNBYOLTK-FQEVSTJZSA-N 0 0 406.410 4.032 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C ZINC000428325651 857155170 /nfs/dbraw/zinc/15/51/70/857155170.db2.gz LZETVEYMMZLMCJ-IBGZPJMESA-N 0 0 422.485 4.015 20 5 HIBDRN CCOC(=O)[C@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccc(OC)c(F)c1 ZINC000428370669 857180553 /nfs/dbraw/zinc/18/05/53/857180553.db2.gz BBKKQKUIMPVXCG-HXUWFJFHSA-N 0 0 404.438 4.260 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2cccc(F)c2C1 ZINC000437559054 862885624 /nfs/dbraw/zinc/88/56/24/862885624.db2.gz NGZWWRSJCNYWRC-UHFFFAOYSA-N 0 0 408.379 4.297 20 5 HIBDRN CC(C)(c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1)C(F)(F)F ZINC000428455981 857208855 /nfs/dbraw/zinc/20/88/55/857208855.db2.gz FCDLRECOZLEWIS-UHFFFAOYSA-N 0 0 410.348 4.458 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1nc(-c2ccccc2F)cs1 ZINC000428538054 857251571 /nfs/dbraw/zinc/25/15/71/857251571.db2.gz PIMNIRUHLRTSGF-UHFFFAOYSA-N 0 0 410.430 4.129 20 5 HIBDRN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@@H]1c1ccccc1 ZINC000437574645 862894294 /nfs/dbraw/zinc/89/42/94/862894294.db2.gz DESHEZAUCLKUDA-IFXJQAMLSA-N 0 0 408.483 4.492 20 5 HIBDRN CN(C(=O)c1ccc(C(=O)N(C)C2(C)CCCC2)c([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000428660028 857291265 /nfs/dbraw/zinc/29/12/65/857291265.db2.gz KNMBEHBFLVIXOD-UHFFFAOYSA-N 0 0 401.507 4.404 20 5 HIBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000428669268 857294251 /nfs/dbraw/zinc/29/42/51/857294251.db2.gz PJGBYUDQXUJPGF-UHFFFAOYSA-N 0 0 411.430 4.020 20 5 HIBDRN Cc1noc(C[C@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)c2ccccc2)n1 ZINC000428676022 857294661 /nfs/dbraw/zinc/29/46/61/857294661.db2.gz NZKKWBFWGBGGOW-ZDUSSCGKSA-N 0 0 418.251 4.148 20 5 HIBDRN CCOC1(C)CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000428722749 857309968 /nfs/dbraw/zinc/30/99/68/857309968.db2.gz YBAKEFKDDNJKIC-OAQYLSRUSA-N 0 0 411.502 4.474 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCC[C@H]3CCO)cc2[N+](=O)[O-])cc1 ZINC000428791191 857341482 /nfs/dbraw/zinc/34/14/82/857341482.db2.gz YYKSYNUHYDZDNV-YJBOKZPZSA-N 0 0 400.500 4.335 20 5 HIBDRN O=C(N[C@@H]1CCC[C@H]1CCO)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000428800006 857348473 /nfs/dbraw/zinc/34/84/73/857348473.db2.gz BSOAMKQRMHGKHN-KBXCAEBGSA-N 0 0 417.893 4.141 20 5 HIBDRN O=C(N[C@H]1CCC[C@@H]1CCO)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000428800008 857348888 /nfs/dbraw/zinc/34/88/88/857348888.db2.gz BSOAMKQRMHGKHN-KDOFPFPSSA-N 0 0 417.893 4.141 20 5 HIBDRN COC[C@@H](C)Nc1ccccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437600126 862912820 /nfs/dbraw/zinc/91/28/20/862912820.db2.gz CYYRMOKQEBEXRQ-CYBMUJFWSA-N 0 0 412.471 4.417 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000429053655 857480066 /nfs/dbraw/zinc/48/00/66/857480066.db2.gz NQBFWWBAIWDKAO-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CN2CCSCC2)cc1[N+](=O)[O-] ZINC000429059898 857485824 /nfs/dbraw/zinc/48/58/24/857485824.db2.gz BJVUNEKSRVICHY-MRXNPFEDSA-N 0 0 414.531 4.335 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429171710 857540335 /nfs/dbraw/zinc/54/03/35/857540335.db2.gz OKDCMBSNUCWPFH-INIZCTEOSA-N 0 0 421.906 4.062 20 5 HIBDRN CC(C)(NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1F ZINC000429250426 857574391 /nfs/dbraw/zinc/57/43/91/857574391.db2.gz XMNJJDXERAGJQQ-UHFFFAOYSA-N 0 0 414.462 4.321 20 5 HIBDRN Cc1ccc(NC(=O)c2nnc(CNC(C)(C)c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000429249913 857574569 /nfs/dbraw/zinc/57/45/69/857574569.db2.gz VMQYJOQLVACVCL-UHFFFAOYSA-N 0 0 411.487 4.032 20 5 HIBDRN C[C@@H](NC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000429251519 857575526 /nfs/dbraw/zinc/57/55/26/857575526.db2.gz BUBLCLXMVDUAKN-CYBMUJFWSA-N 0 0 420.307 4.059 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429261291 857580697 /nfs/dbraw/zinc/58/06/97/857580697.db2.gz FFKTZXPQCIIINK-CABCVRRESA-N 0 0 411.437 4.056 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429261293 857580728 /nfs/dbraw/zinc/58/07/28/857580728.db2.gz FFKTZXPQCIIINK-HUUCEWRRSA-N 0 0 411.437 4.056 20 5 HIBDRN CCOc1cc(NC(=O)Nc2cnn([C@H](C)C3CC3)c2)c([N+](=O)[O-])cc1OCC ZINC000429272335 857585223 /nfs/dbraw/zinc/58/52/23/857585223.db2.gz NEAJOTFFZCTKQI-GFCCVEGCSA-N 0 0 403.439 4.204 20 5 HIBDRN CCOc1cc(NC(=O)N2CCC(c3ccncc3)CC2)c([N+](=O)[O-])cc1OCC ZINC000429496823 857698221 /nfs/dbraw/zinc/69/82/21/857698221.db2.gz ZMRJZWBIOXWARR-UHFFFAOYSA-N 0 0 414.462 4.199 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)CCC2=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000429505165 857703713 /nfs/dbraw/zinc/70/37/13/857703713.db2.gz QDEZLGDNPMPTON-UHFFFAOYSA-N 0 0 413.861 4.232 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)c2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000429524552 857716782 /nfs/dbraw/zinc/71/67/82/857716782.db2.gz XGICCZUGEKNZGP-UHFFFAOYSA-N 0 0 404.488 4.287 20 5 HIBDRN COc1ccc(NC(=O)N2CCc3c(Br)cc(C)cc3C2)cc1[N+](=O)[O-] ZINC000429555192 857746029 /nfs/dbraw/zinc/74/60/29/857746029.db2.gz VRAQLUWHQIBEJE-UHFFFAOYSA-N 0 0 420.263 4.265 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CNc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000429784382 857884109 /nfs/dbraw/zinc/88/41/09/857884109.db2.gz NACAKTUIQJHDKK-UHFFFAOYSA-N 0 0 403.438 4.418 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(OC2CCCCC2)CC1 ZINC000429808168 857891521 /nfs/dbraw/zinc/89/15/21/857891521.db2.gz GVXLGETTWMODCY-UHFFFAOYSA-N 0 0 411.296 4.311 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429842290 857907112 /nfs/dbraw/zinc/90/71/12/857907112.db2.gz CFOWAGRNPOLWOS-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN COc1ccccc1CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000429869945 857920185 /nfs/dbraw/zinc/92/01/85/857920185.db2.gz WLYDIENXWCZCTH-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN CC(C)(C(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1ccccc1[N+](=O)[O-] ZINC000429883653 857926569 /nfs/dbraw/zinc/92/65/69/857926569.db2.gz DEZFBPBAXAYSOZ-UHFFFAOYSA-N 0 0 404.413 4.221 20 5 HIBDRN C[C@H](Cc1cccc(Br)c1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429894116 857931961 /nfs/dbraw/zinc/93/19/61/857931961.db2.gz BOZMYSONHIQGOS-CYBMUJFWSA-N 0 0 405.292 4.382 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000429959257 857968947 /nfs/dbraw/zinc/96/89/47/857968947.db2.gz CYOVCFXFJPVXNW-QGZVFWFLSA-N 0 0 407.264 4.493 20 5 HIBDRN Cc1ccc(CSCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000429962413 857973026 /nfs/dbraw/zinc/97/30/26/857973026.db2.gz JBFBZKYHYAMAJU-UHFFFAOYSA-N 0 0 409.305 4.329 20 5 HIBDRN Cc1nc([C@H]2CCCN2C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000430053018 858013208 /nfs/dbraw/zinc/01/32/08/858013208.db2.gz RFZTWCOBKZUXKY-QGZVFWFLSA-N 0 0 403.508 4.017 20 5 HIBDRN O=C(NCc1ccc(OC2CCCC2)nc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430056974 858015093 /nfs/dbraw/zinc/01/50/93/858015093.db2.gz VZZJQVRQUPFIER-UHFFFAOYSA-N 0 0 420.263 4.004 20 5 HIBDRN O=C(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc2ccccc2c2cccnc12 ZINC000430136579 858048747 /nfs/dbraw/zinc/04/87/47/858048747.db2.gz WCNDWPXGOVNREC-DHLKQENFSA-N 0 0 400.453 4.423 20 5 HIBDRN CC1(C)CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C(F)(F)F)O1 ZINC000430222560 858087679 /nfs/dbraw/zinc/08/76/79/858087679.db2.gz WDRXDTMEVGCXNM-CQSZACIVSA-N 0 0 401.410 4.260 20 5 HIBDRN CCCCCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(C)C ZINC000430323495 858120999 /nfs/dbraw/zinc/12/09/99/858120999.db2.gz FXAVPAKGTYHKRR-UHFFFAOYSA-N 0 0 414.300 4.031 20 5 HIBDRN C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@@]1=O ZINC000430365558 858135897 /nfs/dbraw/zinc/13/58/97/858135897.db2.gz MHZMUSDCXDLHFH-OIJAAMDRSA-N 0 0 422.890 4.024 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)ccc1[N+](=O)[O-] ZINC000430408683 858148451 /nfs/dbraw/zinc/14/84/51/858148451.db2.gz ZVHRHMPJPUHMQY-UHFFFAOYSA-N 0 0 406.442 4.121 20 5 HIBDRN CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000430420072 858152086 /nfs/dbraw/zinc/15/20/86/858152086.db2.gz AHGVACVAJSNWGA-CVEARBPZSA-N 0 0 415.660 4.285 20 5 HIBDRN CSc1ccc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000430449196 858170326 /nfs/dbraw/zinc/17/03/26/858170326.db2.gz QOPYIJYZIXAREA-SFHVURJKSA-N 0 0 400.500 4.181 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c([N+](=O)[O-])cc1OC(F)F ZINC000430472485 858184986 /nfs/dbraw/zinc/18/49/86/858184986.db2.gz MMTMKGGIIJFMDB-UHFFFAOYSA-N 0 0 419.340 4.476 20 5 HIBDRN Cc1nc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc(C2CC2)n1 ZINC000430492628 858197510 /nfs/dbraw/zinc/19/75/10/858197510.db2.gz DJUADNLHWSEYGW-CYBMUJFWSA-N 0 0 418.457 4.391 20 5 HIBDRN CC(C)(NC(=O)CCCCCNC(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000430517712 858204816 /nfs/dbraw/zinc/20/48/16/858204816.db2.gz GVMDYXQQSBOCCZ-UHFFFAOYSA-N 0 0 418.538 4.138 20 5 HIBDRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000430521383 858206097 /nfs/dbraw/zinc/20/60/97/858206097.db2.gz AJMBAUZSCGCKBB-UHFFFAOYSA-N 0 0 411.502 4.378 20 5 HIBDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000430523521 858206795 /nfs/dbraw/zinc/20/67/95/858206795.db2.gz ZYOUOYYJQOYKMT-UHFFFAOYSA-N 0 0 407.474 4.463 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000430528904 858207905 /nfs/dbraw/zinc/20/79/05/858207905.db2.gz GPJKZGVESRKYCP-MRXNPFEDSA-N 0 0 409.442 4.216 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000430533540 858209289 /nfs/dbraw/zinc/20/92/89/858209289.db2.gz WGAKDQIKVGNFGM-QHCPKHFHSA-N 0 0 406.438 4.196 20 5 HIBDRN O=C(N[C@H](CO)CC(F)F)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000430543646 858213691 /nfs/dbraw/zinc/21/36/91/858213691.db2.gz KXYBWOHEQIGPDO-LBPRGKRZSA-N 0 0 416.833 4.145 20 5 HIBDRN CC(C)(NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000430554589 858216299 /nfs/dbraw/zinc/21/62/99/858216299.db2.gz GIXRIMAHCRKSLL-UHFFFAOYSA-N 0 0 413.474 4.375 20 5 HIBDRN Cc1cc(-c2noc(CCC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC000430561565 858217844 /nfs/dbraw/zinc/21/78/44/858217844.db2.gz MUSRWJGASPRMFZ-UHFFFAOYSA-N 0 0 412.421 4.076 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)ccc1[N+](=O)[O-] ZINC000430564039 858220338 /nfs/dbraw/zinc/22/03/38/858220338.db2.gz ADPPOLINEYPKFZ-UHFFFAOYSA-N 0 0 419.865 4.055 20 5 HIBDRN Cc1nn(CCC(=O)NCC2(Sc3ccc(C)cc3)CCCC2)c(C)c1[N+](=O)[O-] ZINC000430575919 858225061 /nfs/dbraw/zinc/22/50/61/858225061.db2.gz LRAFVCADCYSNSP-UHFFFAOYSA-N 0 0 416.547 4.328 20 5 HIBDRN COc1ccc([C@@H](C)CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000430601759 858233784 /nfs/dbraw/zinc/23/37/84/858233784.db2.gz KCELCTVGOBKAHA-LBPRGKRZSA-N 0 0 407.264 4.290 20 5 HIBDRN C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430641998 858244225 /nfs/dbraw/zinc/24/42/25/858244225.db2.gz NQVWFMKMHIUMAF-LBPRGKRZSA-N 0 0 404.264 4.233 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)o1 ZINC000430640477 858244237 /nfs/dbraw/zinc/24/42/37/858244237.db2.gz KMRIXQQRABFSTL-UHFFFAOYSA-N 0 0 417.219 4.222 20 5 HIBDRN Cc1c(C(=O)N2c3ccccc3S[C@@H](C)[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000430664728 858257930 /nfs/dbraw/zinc/25/79/30/858257930.db2.gz OWBYSRFQZWZEIB-JSGCOSHPSA-N 0 0 409.471 4.013 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cccc(CSC3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000430679203 858265731 /nfs/dbraw/zinc/26/57/31/858265731.db2.gz UVNFIKDHCOSXMX-UHFFFAOYSA-N 0 0 416.499 4.333 20 5 HIBDRN Cc1cc(OCC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000430782316 858302817 /nfs/dbraw/zinc/30/28/17/858302817.db2.gz XEUIOWBKBNMNFN-NRFANRHFSA-N 0 0 411.845 4.236 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000430853363 858335120 /nfs/dbraw/zinc/33/51/20/858335120.db2.gz WAWJAVRDLMNHBX-HWPZZCPQSA-N 0 0 408.241 4.126 20 5 HIBDRN O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000430862211 858341152 /nfs/dbraw/zinc/34/11/52/858341152.db2.gz NYHGZVYGNUOUNM-AEFFLSMTSA-N 0 0 408.376 4.481 20 5 HIBDRN COc1cc(C(=O)N2CCSC3(CCCCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430877154 858350984 /nfs/dbraw/zinc/35/09/84/858350984.db2.gz VBZUIVHLMCHUNL-UHFFFAOYSA-N 0 0 416.446 4.097 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)CN(CCc2ccc(Cl)cc2Cl)C1=O ZINC000430884736 858354646 /nfs/dbraw/zinc/35/46/46/858354646.db2.gz XMLWYUFRZKUHPU-LBPRGKRZSA-N 0 0 422.268 4.470 20 5 HIBDRN CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000430930307 858373694 /nfs/dbraw/zinc/37/36/94/858373694.db2.gz SFMPSPCFXXACEL-ZDUSSCGKSA-N 0 0 421.291 4.459 20 5 HIBDRN CN1C(=O)N(CCc2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000431027274 858408632 /nfs/dbraw/zinc/40/86/32/858408632.db2.gz VGWPJRFGYRECNM-INIZCTEOSA-N 0 0 408.241 4.079 20 5 HIBDRN C[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc([N+](=O)[O-])cc1F ZINC000431147294 858470609 /nfs/dbraw/zinc/47/06/09/858470609.db2.gz CQCSVQKXBSWOGH-OVWKYPIYSA-N 0 0 407.239 4.272 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000431169931 858484757 /nfs/dbraw/zinc/48/47/57/858484757.db2.gz UXWFSXJLYKLZGJ-UHFFFAOYSA-N 0 0 405.495 4.312 20 5 HIBDRN Cc1c(NC(=O)c2cnc3c(cnn3C(C)C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431177648 858488334 /nfs/dbraw/zinc/48/83/34/858488334.db2.gz BAKHGPTYCNYRCT-UHFFFAOYSA-N 0 0 418.251 4.244 20 5 HIBDRN COc1ccccc1OCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431180519 858490264 /nfs/dbraw/zinc/49/02/64/858490264.db2.gz PUJGLAONFXSFCQ-UHFFFAOYSA-N 0 0 409.236 4.082 20 5 HIBDRN Cc1c(NC(=O)c2cn(C)nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000431179658 858490362 /nfs/dbraw/zinc/49/03/62/858490362.db2.gz DGQKSWKWRLBPPX-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN COc1ccccc1SCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431183334 858493090 /nfs/dbraw/zinc/49/30/90/858493090.db2.gz PPWNSSKCJYVZSU-UHFFFAOYSA-N 0 0 411.277 4.405 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000437696804 863032813 /nfs/dbraw/zinc/03/28/13/863032813.db2.gz SBOIMOACLQVZBN-CQSZACIVSA-N 0 0 418.881 4.168 20 5 HIBDRN CC(C)CNC(=O)c1cccc(COc2c(Br)cccc2[N+](=O)[O-])c1 ZINC000431246019 858528035 /nfs/dbraw/zinc/52/80/35/858528035.db2.gz KTDQCEQJTCZOPV-UHFFFAOYSA-N 0 0 407.264 4.322 20 5 HIBDRN O=C1N[C@@H](C2CC2)C(=O)N1Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000431247969 858530128 /nfs/dbraw/zinc/53/01/28/858530128.db2.gz NOBFCRSCWFMVBR-KRWDZBQOSA-N 0 0 419.796 4.010 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000431263279 858538208 /nfs/dbraw/zinc/53/82/08/858538208.db2.gz ACBWUZUBMTXMCK-VWKPWSFCSA-N 0 0 422.547 4.286 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCc1ccccn1)Cc1cccnc1 ZINC000431315255 858560287 /nfs/dbraw/zinc/56/02/87/858560287.db2.gz XSQQHVOPXYDUPY-OAQYLSRUSA-N 0 0 418.497 4.225 20 5 HIBDRN CN1C(=O)N(CCc2cccc([N+](=O)[O-])c2)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000431386972 858589620 /nfs/dbraw/zinc/58/96/20/858589620.db2.gz ZVURGRGRNCEOCD-INIZCTEOSA-N 0 0 408.241 4.079 20 5 HIBDRN Cc1ccc(C(=O)CCC(=O)CCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000431422651 858606385 /nfs/dbraw/zinc/60/63/85/858606385.db2.gz OSEWWBTYJANITR-UHFFFAOYSA-N 0 0 416.499 4.328 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431464451 858629328 /nfs/dbraw/zinc/62/93/28/858629328.db2.gz JWXLRFAIJYAYTQ-LLVKDONJSA-N 0 0 420.263 4.138 20 5 HIBDRN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431472190 858632744 /nfs/dbraw/zinc/63/27/44/858632744.db2.gz NODPKXZDNVLESH-ZFWWWQNUSA-N 0 0 403.276 4.451 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000431498592 858644679 /nfs/dbraw/zinc/64/46/79/858644679.db2.gz ALERSHNDSKAXOY-APPDUMDISA-N 0 0 423.238 4.099 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)CCCC2 ZINC000431497480 858644736 /nfs/dbraw/zinc/64/47/36/858644736.db2.gz XSSUROFWHVAZBG-UHFFFAOYSA-N 0 0 405.248 4.349 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1N1CCCCC1 ZINC000431559087 858669751 /nfs/dbraw/zinc/66/97/51/858669751.db2.gz URKDXEBCTMBHQO-UHFFFAOYSA-N 0 0 406.442 4.151 20 5 HIBDRN COc1ccccc1-c1noc(C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000431576075 858675287 /nfs/dbraw/zinc/67/52/87/858675287.db2.gz SJUYTDRLFXRSII-UHFFFAOYSA-N 0 0 423.429 4.065 20 5 HIBDRN C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000431661880 858721203 /nfs/dbraw/zinc/72/12/03/858721203.db2.gz CBFCHKCYAZCFFL-CYBMUJFWSA-N 0 0 401.467 4.321 20 5 HIBDRN COc1cc(Cl)cc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 ZINC000431686148 858739711 /nfs/dbraw/zinc/73/97/11/858739711.db2.gz MJSYHUBXRYDOQR-KRWDZBQOSA-N 0 0 420.849 4.070 20 5 HIBDRN C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431728601 858768260 /nfs/dbraw/zinc/76/82/60/858768260.db2.gz NXPLIPJZPTZPKZ-NWDGAFQWSA-N 0 0 415.837 4.420 20 5 HIBDRN CC(C)(NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431731555 858770758 /nfs/dbraw/zinc/77/07/58/858770758.db2.gz ZDRMQNPHUDQTAD-MRXNPFEDSA-N 0 0 402.882 4.061 20 5 HIBDRN Cc1c(CN2C(=O)CN(CCc3ccc(Cl)cc3Cl)C2=O)cccc1[N+](=O)[O-] ZINC000431739401 858777946 /nfs/dbraw/zinc/77/79/46/858777946.db2.gz ZRCXKLLRCPZECM-UHFFFAOYSA-N 0 0 422.268 4.217 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000437736270 863065159 /nfs/dbraw/zinc/06/51/59/863065159.db2.gz MRUVHSVQXJIDGT-XIKOKIGWSA-N 0 0 410.396 4.118 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000431775397 858805991 /nfs/dbraw/zinc/80/59/91/858805991.db2.gz WXXGGYVORJWFKA-CQSZACIVSA-N 0 0 401.463 4.298 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000431778822 858807455 /nfs/dbraw/zinc/80/74/55/858807455.db2.gz NRGKUTCZQPODHZ-INIZCTEOSA-N 0 0 407.239 4.344 20 5 HIBDRN C[C@@H](Oc1ccc([N+](=O)[O-])c(CO)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000431862434 858844161 /nfs/dbraw/zinc/84/41/61/858844161.db2.gz ODZWCVKHIOXTMH-MRXNPFEDSA-N 0 0 422.437 4.072 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NCc2ccc3c(c2)COC3)cc1[N+](=O)[O-])c1ccccn1 ZINC000431883115 858854927 /nfs/dbraw/zinc/85/49/27/858854927.db2.gz MQZGPKSYTRGHGP-OAHLLOKOSA-N 0 0 418.453 4.123 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000431941967 858880161 /nfs/dbraw/zinc/88/01/61/858880161.db2.gz YHEVFCJDIGXFTL-OAHLLOKOSA-N 0 0 419.231 4.063 20 5 HIBDRN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431945050 858881810 /nfs/dbraw/zinc/88/18/10/858881810.db2.gz ZUXDCIOXBNJANV-DLBZAZTESA-N 0 0 405.248 4.007 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000467547885 881369717 /nfs/dbraw/zinc/36/97/17/881369717.db2.gz JYKKACBVVHBRGS-UHFFFAOYSA-N 0 0 402.458 4.316 20 5 HIBDRN CCc1nn(C)c(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000432158289 859022309 /nfs/dbraw/zinc/02/23/09/859022309.db2.gz NNPBFLCSJXCKHF-HNNXBMFYSA-N 0 0 412.412 4.266 20 5 HIBDRN C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNc3c(Cl)cccc3[N+](=O)[O-])c2)C1=O ZINC000432174075 859030501 /nfs/dbraw/zinc/03/05/01/859030501.db2.gz FICZPHLFLJSSGX-FQEVSTJZSA-N 0 0 414.849 4.085 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(OC2CCC2)c(F)c1 ZINC000432190378 859038615 /nfs/dbraw/zinc/03/86/15/859038615.db2.gz FYQBKCRGORETRH-UHFFFAOYSA-N 0 0 411.389 4.231 20 5 HIBDRN COc1cccc(-c2nc(Cn3nc(C)c4cc([N+](=O)[O-])ccc43)cs2)c1OC ZINC000432228840 859057699 /nfs/dbraw/zinc/05/76/99/859057699.db2.gz MTTVPHAVVFKSES-UHFFFAOYSA-N 0 0 410.455 4.442 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432233799 859060298 /nfs/dbraw/zinc/06/02/98/859060298.db2.gz VSYZDTRCASKGGT-SFHVURJKSA-N 0 0 412.243 4.272 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000432307338 859096427 /nfs/dbraw/zinc/09/64/27/859096427.db2.gz MBANSZOQRVNZFG-LBPRGKRZSA-N 0 0 420.796 4.493 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(CNc3ccnc4c3cccc4[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000432314157 859099364 /nfs/dbraw/zinc/09/93/64/859099364.db2.gz VPDLTHATQDENJA-IYBDPMFKSA-N 0 0 420.469 4.005 20 5 HIBDRN O=C(C[C@H]1CCCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000432330328 859105613 /nfs/dbraw/zinc/10/56/13/859105613.db2.gz ZWNSRWJKWUTKTK-MRXNPFEDSA-N 0 0 406.442 4.129 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000432336047 859108120 /nfs/dbraw/zinc/10/81/20/859108120.db2.gz MDYRTZHSVPONEZ-HNNXBMFYSA-N 0 0 423.448 4.320 20 5 HIBDRN O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000432457152 859172104 /nfs/dbraw/zinc/17/21/04/859172104.db2.gz OXVLNRQZTFZKCN-GOSISDBHSA-N 0 0 407.392 4.399 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC2(CCCC2)c2cccc(F)c21 ZINC000432549488 859220622 /nfs/dbraw/zinc/22/06/22/859220622.db2.gz KYVOXBKNWOMPOU-UHFFFAOYSA-N 0 0 406.417 4.392 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC2(CCCC2)c2cccc(F)c21 ZINC000432547772 859221162 /nfs/dbraw/zinc/22/11/62/859221162.db2.gz UMVUCRFWFKCYOA-UHFFFAOYSA-N 0 0 406.417 4.392 20 5 HIBDRN Cc1csc(Sc2ccc(-c3nc(-c4nccc(C)n4)no3)cc2[N+](=O)[O-])n1 ZINC000432685983 859294190 /nfs/dbraw/zinc/29/41/90/859294190.db2.gz RCQLQAARQDBCDJ-UHFFFAOYSA-N 0 0 412.456 4.326 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432744310 859331171 /nfs/dbraw/zinc/33/11/71/859331171.db2.gz HCNXZEYLDXYQMR-UHFFFAOYSA-N 0 0 418.277 4.060 20 5 HIBDRN CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)nn1 ZINC000432757533 859337897 /nfs/dbraw/zinc/33/78/97/859337897.db2.gz JYIWYXSHLRGJRM-UHFFFAOYSA-N 0 0 413.231 4.091 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CCS(=O)(=O)CC[C@H]3C)cc2[N+](=O)[O-])cc1 ZINC000432819358 859374296 /nfs/dbraw/zinc/37/42/96/859374296.db2.gz XALHNQARZJCCIP-MRXNPFEDSA-N 0 0 420.556 4.063 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CCS(=O)(=O)CC[C@@H]3C)cc2[N+](=O)[O-])cc1 ZINC000432819357 859374382 /nfs/dbraw/zinc/37/43/82/859374382.db2.gz XALHNQARZJCCIP-INIZCTEOSA-N 0 0 420.556 4.063 20 5 HIBDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000432819224 859374479 /nfs/dbraw/zinc/37/44/79/859374479.db2.gz FSRNQKQVPKZULK-UHFFFAOYSA-N 0 0 410.474 4.196 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432842764 859383872 /nfs/dbraw/zinc/38/38/72/859383872.db2.gz LNQTZNQCWHSLTR-GOSISDBHSA-N 0 0 412.396 4.426 20 5 HIBDRN C[C@H]1CN(c2ccccc2NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000432902758 859418819 /nfs/dbraw/zinc/41/88/19/859418819.db2.gz LPOYSYVEYQPVIC-HOTGVXAUSA-N 0 0 412.490 4.265 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000432907999 859423325 /nfs/dbraw/zinc/42/33/25/859423325.db2.gz XZPPPOOEPHHQBI-UHFFFAOYSA-N 0 0 424.482 4.108 20 5 HIBDRN CC(C)N(c1cnc2ccccc2c1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432967809 859454474 /nfs/dbraw/zinc/45/44/74/859454474.db2.gz RAGSUVMHALGRMJ-UHFFFAOYSA-N 0 0 405.863 4.400 20 5 HIBDRN CCc1cc(NC(=O)c2cnn([C@H](C)CC)c2C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000432996740 859470323 /nfs/dbraw/zinc/47/03/23/859470323.db2.gz HUFFILYABVPBPL-CYBMUJFWSA-N 0 0 407.474 4.425 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CC[S@@](=O)CC[C@@H]3C)cc2[N+](=O)[O-])cc1 ZINC000433033573 859491149 /nfs/dbraw/zinc/49/11/49/859491149.db2.gz QCMDMFWIOIGYKH-OQRWROFFSA-N 0 0 404.557 4.397 20 5 HIBDRN O=C(NC[C@@H](O)C(F)(F)F)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467632295 881431233 /nfs/dbraw/zinc/43/12/33/881431233.db2.gz DRTRDPZYXSKVLW-CYBMUJFWSA-N 0 0 420.796 4.052 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(-c2ccc(Cl)s2)cn1 ZINC000433129403 859531922 /nfs/dbraw/zinc/53/19/22/859531922.db2.gz NUWAKWZITXBSTE-UHFFFAOYSA-N 0 0 423.903 4.356 20 5 HIBDRN CC(C)[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2ccccc2N1 ZINC000433215690 859571615 /nfs/dbraw/zinc/57/16/15/859571615.db2.gz QXHYDVUAKGDIAB-INIZCTEOSA-N 0 0 404.264 4.454 20 5 HIBDRN CC1(C)C[C@H](Nc2cccc(N3CCC(C(N)=O)CC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433226050 859577893 /nfs/dbraw/zinc/57/78/93/859577893.db2.gz FCHJFEMJGJSRLQ-NRFANRHFSA-N 0 0 408.502 4.131 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1)n1cncn1 ZINC000433236846 859583481 /nfs/dbraw/zinc/58/34/81/859583481.db2.gz YTPMKRHHILWQEA-XOBRGWDASA-N 0 0 420.473 4.221 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(N(C)[C@@H](C)CCSC)c([N+](=O)[O-])c1 ZINC000433428743 859696810 /nfs/dbraw/zinc/69/68/10/859696810.db2.gz AJJOOPQWMVDXAJ-AWEZNQCLSA-N 0 0 416.499 4.190 20 5 HIBDRN O=C(COc1cc(F)cc([N+](=O)[O-])c1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000433651108 859824737 /nfs/dbraw/zinc/82/47/37/859824737.db2.gz VEBNDKNFFRAJJN-INIZCTEOSA-N 0 0 415.402 4.145 20 5 HIBDRN O=C(Nc1ccccc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000433711476 859847568 /nfs/dbraw/zinc/84/75/68/859847568.db2.gz XLBFQHKLZMZKFA-GOSISDBHSA-N 0 0 422.466 4.126 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1[N+](=O)[O-] ZINC000433750772 859874693 /nfs/dbraw/zinc/87/46/93/859874693.db2.gz IYHHZPKSMRFRDO-UHFFFAOYSA-N 0 0 408.393 4.376 20 5 HIBDRN Cn1cc(-c2cc(F)ccc2NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000433802046 859899043 /nfs/dbraw/zinc/89/90/43/859899043.db2.gz NPCXBBKULVXVIZ-UHFFFAOYSA-N 0 0 409.421 4.331 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c1[N+](=O)[O-] ZINC000433826945 859917384 /nfs/dbraw/zinc/91/73/84/859917384.db2.gz UIZWYRBXCSAAHL-UHFFFAOYSA-N 0 0 417.441 4.352 20 5 HIBDRN Cc1ccc(Cc2cnc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])s2)cc1F ZINC000433835647 859923197 /nfs/dbraw/zinc/92/31/97/859923197.db2.gz HYMLTDQDVAXDLE-UHFFFAOYSA-N 0 0 403.439 4.188 20 5 HIBDRN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433845550 859929487 /nfs/dbraw/zinc/92/94/87/859929487.db2.gz XOSPJNHDKCBPHV-UHFFFAOYSA-N 0 0 407.430 4.254 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1[N+](=O)[O-] ZINC000433848621 859931957 /nfs/dbraw/zinc/93/19/57/859931957.db2.gz LACFLMZOPQERTA-KRWDZBQOSA-N 0 0 417.469 4.485 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000433856630 859937467 /nfs/dbraw/zinc/93/74/67/859937467.db2.gz YGVVTAVRFFWYPI-UHFFFAOYSA-N 0 0 421.173 4.475 20 5 HIBDRN COc1ccc(COCc2cccc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])c2)cc1 ZINC000433984166 860016939 /nfs/dbraw/zinc/01/69/39/860016939.db2.gz GIVFOFALVWSOJF-UHFFFAOYSA-N 0 0 424.457 4.419 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c1[N+](=O)[O-] ZINC000433988947 860019731 /nfs/dbraw/zinc/01/97/31/860019731.db2.gz UQDJBARKCQOOQW-UHFFFAOYSA-N 0 0 407.402 4.019 20 5 HIBDRN Cc1ccc(Cl)c(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1C ZINC000434032680 860053740 /nfs/dbraw/zinc/05/37/40/860053740.db2.gz SBGXWLHZTQJLMC-UHFFFAOYSA-N 0 0 403.822 4.192 20 5 HIBDRN CC(C)Nc1ccc(Br)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434235361 860218703 /nfs/dbraw/zinc/21/87/03/860218703.db2.gz HFKPCJNBIGCMHN-UHFFFAOYSA-N 0 0 410.272 4.276 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000434281112 860249537 /nfs/dbraw/zinc/24/95/37/860249537.db2.gz PSBKWUVLUWEVHU-MRXNPFEDSA-N 0 0 411.506 4.086 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000434502430 860376275 /nfs/dbraw/zinc/37/62/75/860376275.db2.gz DFCBGFFWVARRTL-FQEVSTJZSA-N 0 0 410.518 4.431 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000434507076 860378851 /nfs/dbraw/zinc/37/88/51/860378851.db2.gz YGUZUBBHVGCHML-IBGZPJMESA-N 0 0 408.502 4.185 20 5 HIBDRN Cc1nnc(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1CCc1cccs1 ZINC000434809127 860504261 /nfs/dbraw/zinc/50/42/61/860504261.db2.gz SLFRHXWGDUVFSY-UHFFFAOYSA-N 0 0 401.473 4.232 20 5 HIBDRN COc1ccc(Br)cc1CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434831155 860511238 /nfs/dbraw/zinc/51/12/38/860511238.db2.gz MOXCKJXPMZXNAJ-UHFFFAOYSA-N 0 0 406.236 4.139 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(OCC2CCCC2)CC1 ZINC000434903883 860547739 /nfs/dbraw/zinc/54/77/39/860547739.db2.gz CHOUIOCNAMZAPQ-OAHLLOKOSA-N 0 0 400.479 4.377 20 5 HIBDRN O=C(c1ccccc1)c1ccc(Nc2cccc([C@H]3CNC(=O)C3)c2)c([N+](=O)[O-])c1 ZINC000434953194 860572025 /nfs/dbraw/zinc/57/20/25/860572025.db2.gz ZXDHCFNSTGGKTB-GOSISDBHSA-N 0 0 401.422 4.173 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1)c1ccc2ccccc2c1 ZINC000434957084 860573952 /nfs/dbraw/zinc/57/39/52/860573952.db2.gz ATRPUIXMSDBAIR-GOSISDBHSA-N 0 0 410.861 4.195 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC000434976392 860583089 /nfs/dbraw/zinc/58/30/89/860583089.db2.gz BVDSQOTVPJLMRZ-QFIPXVFZSA-N 0 0 419.485 4.186 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000434993513 860589137 /nfs/dbraw/zinc/58/91/37/860589137.db2.gz AKUYPCVDPARVLR-UHFFFAOYSA-N 0 0 418.881 4.393 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000435042521 860612096 /nfs/dbraw/zinc/61/20/96/860612096.db2.gz VBTHEVOTFZIXAX-IBGZPJMESA-N 0 0 416.428 4.283 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000467751392 881559856 /nfs/dbraw/zinc/55/98/56/881559856.db2.gz ASXRVNOVLRUJAM-XOHCFOMMSA-N 0 0 404.510 4.083 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435129547 860654596 /nfs/dbraw/zinc/65/45/96/860654596.db2.gz MWNHSVMGYSXNBD-SNVBAGLBSA-N 0 0 400.382 4.482 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000467753775 881565723 /nfs/dbraw/zinc/56/57/23/881565723.db2.gz RXEIWKGGTBVGTI-IAAVTCLWSA-N 0 0 406.548 4.499 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000467756180 881570252 /nfs/dbraw/zinc/57/02/52/881570252.db2.gz UFCYFMBQNFIKTG-DYWXZXKOSA-N 0 0 412.939 4.128 20 5 HIBDRN O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000435276281 860713128 /nfs/dbraw/zinc/71/31/28/860713128.db2.gz CZKKWHWKLCUJRY-INIZCTEOSA-N 0 0 417.421 4.243 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000467756185 881571503 /nfs/dbraw/zinc/57/15/03/881571503.db2.gz UFCYFMBQNFIKTG-MMTVNHQJSA-N 0 0 412.939 4.128 20 5 HIBDRN COC1CCC(C)(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000435322969 860735031 /nfs/dbraw/zinc/73/50/31/860735031.db2.gz INSFQDQLLFKTPC-UHFFFAOYSA-N 0 0 414.300 4.383 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCOc3ccc(F)cc32)cc(Br)cc1[N+](=O)[O-] ZINC000435323703 860735775 /nfs/dbraw/zinc/73/57/75/860735775.db2.gz OQJAGQZYRDOMJK-ZDUSSCGKSA-N 0 0 424.226 4.450 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(OC)c1 ZINC000435325340 860736699 /nfs/dbraw/zinc/73/66/99/860736699.db2.gz ZPAJANPMKXOUFQ-UHFFFAOYSA-N 0 0 424.251 4.005 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](C)Cc2ccc(O)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000435324959 860736707 /nfs/dbraw/zinc/73/67/07/860736707.db2.gz XYVYSOQIYVBNRI-JTQLQIEISA-N 0 0 408.252 4.124 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](C)CCc2cccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000435328932 860740844 /nfs/dbraw/zinc/74/08/44/860740844.db2.gz NNMBEHQPKNWEHB-NSHDSACASA-N 0 0 409.284 4.147 20 5 HIBDRN CCCO[C@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000435329650 860741408 /nfs/dbraw/zinc/74/14/08/860741408.db2.gz QNDXHTJMCQZSJC-AWEZNQCLSA-N 0 0 414.300 4.479 20 5 HIBDRN Cc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000435338831 860748290 /nfs/dbraw/zinc/74/82/90/860748290.db2.gz KGEWJFZKEUDCAI-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1CCCCO1 ZINC000435361905 860761977 /nfs/dbraw/zinc/76/19/77/860761977.db2.gz AFPLMUUOJAREBZ-SFHVURJKSA-N 0 0 408.813 4.365 20 5 HIBDRN Cc1c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000435373007 860770861 /nfs/dbraw/zinc/77/08/61/860770861.db2.gz CQTNMJZPVJUPEG-UHFFFAOYSA-N 0 0 400.822 4.150 20 5 HIBDRN CCCOc1ccc2c(c1)CCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C2 ZINC000435390630 860782505 /nfs/dbraw/zinc/78/25/05/860782505.db2.gz BRFYYTHOFHVOMU-UHFFFAOYSA-N 0 0 416.499 4.313 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000435391969 860782967 /nfs/dbraw/zinc/78/29/67/860782967.db2.gz YYJIVTQLAAIAAG-JTQLQIEISA-N 0 0 415.393 4.099 20 5 HIBDRN CCC(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435440011 860800045 /nfs/dbraw/zinc/80/00/45/860800045.db2.gz YPBHUTNZUFLDAR-ZDUSSCGKSA-N 0 0 419.528 4.395 20 5 HIBDRN Cc1nn(C)c(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435443707 860800569 /nfs/dbraw/zinc/80/05/69/860800569.db2.gz PIMVNALSXMNKGU-UHFFFAOYSA-N 0 0 402.501 4.339 20 5 HIBDRN COc1cccc(C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000435519156 860837383 /nfs/dbraw/zinc/83/73/83/860837383.db2.gz XNJOFRBSOBPSJA-UHFFFAOYSA-N 0 0 420.347 4.119 20 5 HIBDRN CCC(CC)[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000435562984 860884053 /nfs/dbraw/zinc/88/40/53/860884053.db2.gz JXTNCKJMDVCXBM-JOCHJYFZSA-N 0 0 423.469 4.156 20 5 HIBDRN COc1cccc(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c1[N+](=O)[O-] ZINC000435564846 860885572 /nfs/dbraw/zinc/88/55/72/860885572.db2.gz JEMBCAFFLXESCP-OAHLLOKOSA-N 0 0 407.426 4.068 20 5 HIBDRN COc1cccc(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)c1[N+](=O)[O-] ZINC000435568429 860889336 /nfs/dbraw/zinc/88/93/36/860889336.db2.gz OXAZYJFEXMQUMI-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000435580531 860896683 /nfs/dbraw/zinc/89/66/83/860896683.db2.gz UQQWPZYOAJGDET-UHFFFAOYSA-N 0 0 407.470 4.478 20 5 HIBDRN CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000435667055 860945353 /nfs/dbraw/zinc/94/53/53/860945353.db2.gz FZLHKBZRTAVMQB-HNNXBMFYSA-N 0 0 409.389 4.001 20 5 HIBDRN CCOc1cc(NC(=O)Cn2cc(-c3ccccc3)c(C)n2)c([N+](=O)[O-])cc1OCC ZINC000435667873 860947158 /nfs/dbraw/zinc/94/71/58/860947158.db2.gz QZYLJFMEJCAION-UHFFFAOYSA-N 0 0 424.457 4.203 20 5 HIBDRN Cc1cc(OCC(=O)NCCc2nc(C3CCCCC3)cs2)ccc1[N+](=O)[O-] ZINC000435678758 860958817 /nfs/dbraw/zinc/95/88/17/860958817.db2.gz SCIPMIOCYOQVRC-UHFFFAOYSA-N 0 0 403.504 4.145 20 5 HIBDRN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435710386 860993663 /nfs/dbraw/zinc/99/36/63/860993663.db2.gz UONNWZZJUBWZHI-GOSISDBHSA-N 0 0 411.483 4.132 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000467782004 881601804 /nfs/dbraw/zinc/60/18/04/881601804.db2.gz AEEFCXOAQCSBMO-UHFFFAOYSA-N 0 0 404.401 4.352 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c1[N+](=O)[O-] ZINC000435716705 861000027 /nfs/dbraw/zinc/00/00/27/861000027.db2.gz HLDFTCDLGVQQNG-UHFFFAOYSA-N 0 0 423.400 4.176 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000467788213 881609540 /nfs/dbraw/zinc/60/95/40/881609540.db2.gz PJWHIHRMVOEAQM-UHFFFAOYSA-N 0 0 412.442 4.097 20 5 HIBDRN COc1ccccc1[C@@H](C)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435815834 861080827 /nfs/dbraw/zinc/08/08/27/861080827.db2.gz GVWFCYVRAZXBSM-GFCCVEGCSA-N 0 0 408.404 4.459 20 5 HIBDRN CN(C)[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1Cl ZINC000435825463 861090113 /nfs/dbraw/zinc/09/01/13/861090113.db2.gz IBUDWHYOVVBDNY-QFIPXVFZSA-N 0 0 419.912 4.367 20 5 HIBDRN CCOC(=O)c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000435833149 861096751 /nfs/dbraw/zinc/09/67/51/861096751.db2.gz CKVFTHGKHAXOGS-UHFFFAOYSA-N 0 0 422.387 4.389 20 5 HIBDRN COc1ccc(N(Cc2ccco2)C(=O)c2cccc(OC)c2[N+](=O)[O-])cc1F ZINC000435872815 861133440 /nfs/dbraw/zinc/13/34/40/861133440.db2.gz RJSYOVIYHOBHSL-UHFFFAOYSA-N 0 0 400.362 4.191 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccccc2OC)cc1 ZINC000435915547 861177162 /nfs/dbraw/zinc/17/71/62/861177162.db2.gz GGQDHKMLVDSGRS-OAQYLSRUSA-N 0 0 422.437 4.140 20 5 HIBDRN Cc1nc2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc2[nH]1 ZINC000435923915 861184108 /nfs/dbraw/zinc/18/41/08/861184108.db2.gz SPJRMJVVAQTFLG-UHFFFAOYSA-N 0 0 404.376 4.397 20 5 HIBDRN CN(Cc1cnccn1)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467797822 881621553 /nfs/dbraw/zinc/62/15/53/881621553.db2.gz ILDCDEOZZVMARZ-UHFFFAOYSA-N 0 0 414.874 4.462 20 5 HIBDRN O=C(Nc1cccn(Cc2ccccc2)c1=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437782833 863099967 /nfs/dbraw/zinc/09/99/67/863099967.db2.gz YWQWDLDMPKVHAS-UHFFFAOYSA-N 0 0 418.453 4.001 20 5 HIBDRN C[C@@H](c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1)N1CCOCC1 ZINC000437801064 863121280 /nfs/dbraw/zinc/12/12/80/863121280.db2.gz NSBHWLIYXJLJPD-KRWDZBQOSA-N 0 0 424.501 4.185 20 5 HIBDRN C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000437830073 863181920 /nfs/dbraw/zinc/18/19/20/863181920.db2.gz SVXAQQUVWFXYJY-XOBRGWDASA-N 0 0 418.877 4.303 20 5 HIBDRN CC(C)COC[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000438000396 863362670 /nfs/dbraw/zinc/36/26/70/863362670.db2.gz HNWATUIPVXQZNK-SFHVURJKSA-N 0 0 401.463 4.276 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000438000947 863362822 /nfs/dbraw/zinc/36/28/22/863362822.db2.gz MJMXUZRDJKKNBI-INIZCTEOSA-N 0 0 422.485 4.157 20 5 HIBDRN COc1cc(CN2CCC[C@@H]2c2ncc[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438003927 863364424 /nfs/dbraw/zinc/36/44/24/863364424.db2.gz YEEWDBRGRZKBCE-LJQANCHMSA-N 0 0 408.458 4.243 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2ccccc2F)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438029776 863389863 /nfs/dbraw/zinc/38/98/63/863389863.db2.gz AQPLMRSRPMIEIW-WKILWMFISA-N 0 0 413.449 4.233 20 5 HIBDRN C[S@@](=O)C1(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCC1 ZINC000438127374 863547782 /nfs/dbraw/zinc/54/77/82/863547782.db2.gz MFXJZZJHOLTIGJ-MUUNZHRXSA-N 0 0 422.890 4.072 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCc2c(F)ccc(F)c2C1 ZINC000438144264 863564761 /nfs/dbraw/zinc/56/47/61/863564761.db2.gz WPWNRXYHYGVKPF-UHFFFAOYSA-N 0 0 404.416 4.018 20 5 HIBDRN C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000467837624 881672638 /nfs/dbraw/zinc/67/26/38/881672638.db2.gz DUXHUWIDYOSXMN-MRXNPFEDSA-N 0 0 418.453 4.027 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000438185313 863610142 /nfs/dbraw/zinc/61/01/42/863610142.db2.gz DEDLELMBRLIMES-MRXNPFEDSA-N 0 0 406.360 4.491 20 5 HIBDRN CCCc1n[nH]c(C(=O)N2CCC(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000467842258 881683390 /nfs/dbraw/zinc/68/33/90/881683390.db2.gz XQXJLCVBMZGPKO-UHFFFAOYSA-N 0 0 421.295 4.053 20 5 HIBDRN C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000438262754 863729045 /nfs/dbraw/zinc/72/90/45/863729045.db2.gz WOAPOXZKWLSZEO-SJKOYZFVSA-N 0 0 421.375 4.162 20 5 HIBDRN CCOc1cc(NC(=O)C2(Cc3ccccc3F)CC2)c([N+](=O)[O-])cc1OCC ZINC000467848000 881693284 /nfs/dbraw/zinc/69/32/84/881693284.db2.gz BVNSXJBLKOQJQH-UHFFFAOYSA-N 0 0 402.422 4.493 20 5 HIBDRN CCSCc1cccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000438364602 863826964 /nfs/dbraw/zinc/82/69/64/863826964.db2.gz KPMAZHOFQRZKFU-UHFFFAOYSA-N 0 0 400.504 4.202 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(Sc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000438414660 863855359 /nfs/dbraw/zinc/85/53/59/863855359.db2.gz AQUDGRGEDOXSSQ-UHFFFAOYSA-N 0 0 421.478 4.309 20 5 HIBDRN COc1cc(CCNC(=O)Nc2ccc(OC(C)C)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000438423983 863860100 /nfs/dbraw/zinc/86/01/00/863860100.db2.gz VNTHMEJQXJFCPE-UHFFFAOYSA-N 0 0 417.462 4.072 20 5 HIBDRN COC(=O)C(C)(C)c1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000438469658 863889864 /nfs/dbraw/zinc/88/98/64/863889864.db2.gz WUEGBMYGOHNUOT-UHFFFAOYSA-N 0 0 413.474 4.190 20 5 HIBDRN CC(C)c1nnc2ccc(NC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)cn21 ZINC000438506749 863929441 /nfs/dbraw/zinc/92/94/41/863929441.db2.gz GVVKVCKRUDLUMN-OAHLLOKOSA-N 0 0 422.489 4.250 20 5 HIBDRN O=C(NCc1cccs1)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000438534729 863961249 /nfs/dbraw/zinc/96/12/49/863961249.db2.gz VUKQVNHGFBUESO-UHFFFAOYSA-N 0 0 415.858 4.492 20 5 HIBDRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000438895431 864377324 /nfs/dbraw/zinc/37/73/24/864377324.db2.gz KDKMIVVTDXYIDQ-MRXNPFEDSA-N 0 0 412.490 4.197 20 5 HIBDRN Cc1nc(-c2ccc(CCNC(=O)Cc3cccc([N+](=O)[O-])c3C)s2)cs1 ZINC000438903160 864383615 /nfs/dbraw/zinc/38/36/15/864383615.db2.gz IKNOOESIMLEJAL-UHFFFAOYSA-N 0 0 401.513 4.298 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cccc1[N+](=O)[O-] ZINC000438907622 864386080 /nfs/dbraw/zinc/38/60/80/864386080.db2.gz ASPHBHKSFJEGRG-UHFFFAOYSA-N 0 0 415.449 4.287 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000438936280 864413426 /nfs/dbraw/zinc/41/34/26/864413426.db2.gz KYTZARDJORNLIL-LBPRGKRZSA-N 0 0 416.787 4.249 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000438939045 864415042 /nfs/dbraw/zinc/41/50/42/864415042.db2.gz WXGXVCUFQBSUQY-UHFFFAOYSA-N 0 0 413.213 4.014 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1[N+](=O)[O-] ZINC000438940419 864416536 /nfs/dbraw/zinc/41/65/36/864416536.db2.gz WDUQVXUMJOSIAP-UHFFFAOYSA-N 0 0 408.454 4.419 20 5 HIBDRN CCN(CC)C(=O)COc1cccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000438956565 864426789 /nfs/dbraw/zinc/42/67/89/864426789.db2.gz FVSYGTYRAHHYKH-UHFFFAOYSA-N 0 0 413.474 4.218 20 5 HIBDRN CC(C)c1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000438968242 864434081 /nfs/dbraw/zinc/43/40/81/864434081.db2.gz QJFFNCUAWBNAJI-CQSZACIVSA-N 0 0 410.474 4.493 20 5 HIBDRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)ccc2NC1=O ZINC000438969545 864435675 /nfs/dbraw/zinc/43/56/75/864435675.db2.gz QFSRXNXURMDMOW-YJYMSZOUSA-N 0 0 411.458 4.319 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000439096294 864538074 /nfs/dbraw/zinc/53/80/74/864538074.db2.gz HIHHXJAYZDXDGV-UHFFFAOYSA-N 0 0 410.879 4.132 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000439106880 864544279 /nfs/dbraw/zinc/54/42/79/864544279.db2.gz JOZYPULSKDJMRH-INIZCTEOSA-N 0 0 415.837 4.129 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000439112343 864550343 /nfs/dbraw/zinc/55/03/43/864550343.db2.gz OQBLBJXVURBYPL-LBPRGKRZSA-N 0 0 416.865 4.332 20 5 HIBDRN Cc1c(CC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000439124253 864559922 /nfs/dbraw/zinc/55/99/22/864559922.db2.gz PDPQENNOIUSSAR-UHFFFAOYSA-N 0 0 400.862 4.221 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000439134532 864567669 /nfs/dbraw/zinc/56/76/69/864567669.db2.gz MJJXDEBOKNFJAE-INIZCTEOSA-N 0 0 404.850 4.369 20 5 HIBDRN CC(C)c1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1[N+](=O)[O-] ZINC000439141256 864573927 /nfs/dbraw/zinc/57/39/27/864573927.db2.gz MVSNNXZRMABZMK-UHFFFAOYSA-N 0 0 408.458 4.418 20 5 HIBDRN COc1ccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1OC(F)F ZINC000439143162 864574839 /nfs/dbraw/zinc/57/48/39/864574839.db2.gz AKKPXUXXEQLZNJ-UHFFFAOYSA-N 0 0 400.765 4.097 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000439154241 864586181 /nfs/dbraw/zinc/58/61/81/864586181.db2.gz RRBNYGZTCPYSAY-LJQANCHMSA-N 0 0 409.486 4.143 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(-c3ccccn3)c2)cc1SC ZINC000439172907 864601258 /nfs/dbraw/zinc/60/12/58/864601258.db2.gz WAKLLYFAGUDAKX-UHFFFAOYSA-N 0 0 409.467 4.317 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H](CCCc3ccccc3)C2)cc([N+](=O)[O-])c1OC ZINC000439179046 864607404 /nfs/dbraw/zinc/60/74/04/864607404.db2.gz UCQRGZMQZRMSCF-SFHVURJKSA-N 0 0 412.486 4.487 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)cc([N+](=O)[O-])c1OC ZINC000439179045 864607587 /nfs/dbraw/zinc/60/75/87/864607587.db2.gz UCQRGZMQZRMSCF-GOSISDBHSA-N 0 0 412.486 4.487 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000439222506 864639382 /nfs/dbraw/zinc/63/93/82/864639382.db2.gz FMPQPTBXLLSYFK-UHFFFAOYSA-N 0 0 422.384 4.408 20 5 HIBDRN COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1F ZINC000439227006 864645010 /nfs/dbraw/zinc/64/50/10/864645010.db2.gz CFWZCKJXPHKFTQ-UHFFFAOYSA-N 0 0 416.430 4.138 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)N(C)C2CCCCCC2)cc1[N+](=O)[O-] ZINC000439246339 864663564 /nfs/dbraw/zinc/66/35/64/864663564.db2.gz LTZXRWBFMMGXAG-UHFFFAOYSA-N 0 0 405.314 4.009 20 5 HIBDRN COCCCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(Br)cn1 ZINC000439287732 864707973 /nfs/dbraw/zinc/70/79/73/864707973.db2.gz XGGZUNAGBKKSNT-UHFFFAOYSA-N 0 0 422.279 4.134 20 5 HIBDRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000439301028 864725984 /nfs/dbraw/zinc/72/59/84/864725984.db2.gz SMGIHMLDUACNAN-UHFFFAOYSA-N 0 0 418.862 4.264 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1[N+](=O)[O-] ZINC000439411964 864822896 /nfs/dbraw/zinc/82/28/96/864822896.db2.gz RYHYPTKOLUCLPX-QGZVFWFLSA-N 0 0 411.506 4.056 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N2CCCc3c([nH]c4c3cccc4F)C2)cccc1[N+](=O)[O-] ZINC000439472628 864843318 /nfs/dbraw/zinc/84/33/18/864843318.db2.gz SQZXBAXNQRINIM-CQSZACIVSA-N 0 0 410.449 4.299 20 5 HIBDRN CC[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCCO1 ZINC000439481606 864847316 /nfs/dbraw/zinc/84/73/16/864847316.db2.gz JXTAJZKIWJDJIK-XLIONFOSSA-N 0 0 417.893 4.429 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(Oc2ccccn2)c1 ZINC000439670221 865002684 /nfs/dbraw/zinc/00/26/84/865002684.db2.gz HSTGDWGDNPCNQL-AWEZNQCLSA-N 0 0 408.414 4.230 20 5 HIBDRN O=C(NCc1cccc(-c2ccccn2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000439673578 865005843 /nfs/dbraw/zinc/00/58/43/865005843.db2.gz NSJZFFXLICMAOS-UHFFFAOYSA-N 0 0 412.243 4.349 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000439730320 865063039 /nfs/dbraw/zinc/06/30/39/865063039.db2.gz UONKBRFQRSNEKL-UHFFFAOYSA-N 0 0 413.474 4.007 20 5 HIBDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467982976 881833283 /nfs/dbraw/zinc/83/32/83/881833283.db2.gz YCZWVWDJBJFMNJ-KRWDZBQOSA-N 0 0 424.501 4.282 20 5 HIBDRN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000467989200 881836586 /nfs/dbraw/zinc/83/65/86/881836586.db2.gz UCSCIZAZFAKLAH-UHFFFAOYSA-N 0 0 405.838 4.178 20 5 HIBDRN CC[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000439843228 865154998 /nfs/dbraw/zinc/15/49/98/865154998.db2.gz QJADYQKQVCSBKU-ZDUSSCGKSA-N 0 0 411.227 4.084 20 5 HIBDRN Cc1c(CC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000439861547 865169120 /nfs/dbraw/zinc/16/91/20/865169120.db2.gz XHHCJPVCIIFAGI-INIZCTEOSA-N 0 0 411.483 4.268 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C ZINC000439884473 865196563 /nfs/dbraw/zinc/19/65/63/865196563.db2.gz UWJAXFKTPHTVMU-QGZVFWFLSA-N 0 0 401.467 4.483 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000439887555 865200451 /nfs/dbraw/zinc/20/04/51/865200451.db2.gz HVPQKYRXMGRBEB-GOSISDBHSA-N 0 0 415.446 4.380 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000439893024 865204847 /nfs/dbraw/zinc/20/48/47/865204847.db2.gz VFMMCYDQABPWRZ-CYBMUJFWSA-N 0 0 412.446 4.225 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCC([C@@H]3CCCO3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000439894350 865207402 /nfs/dbraw/zinc/20/74/02/865207402.db2.gz CULZOZYZYJLPGJ-ZHRRBRCNSA-N 0 0 424.501 4.194 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000439905446 865215556 /nfs/dbraw/zinc/21/55/56/865215556.db2.gz UMKLUTISWSOPLP-KRWDZBQOSA-N 0 0 401.419 4.195 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000439936215 865235494 /nfs/dbraw/zinc/23/54/94/865235494.db2.gz WQWSHSIQCDVWHM-KXBFYZLASA-N 0 0 403.410 4.174 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000439938210 865236625 /nfs/dbraw/zinc/23/66/25/865236625.db2.gz ZPKXOACTIXAITC-GOSISDBHSA-N 0 0 423.828 4.391 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)cc([N+](=O)[O-])c1OC ZINC000439990691 865299080 /nfs/dbraw/zinc/29/90/80/865299080.db2.gz ACWJHDDRMKYFQK-HSZRJFAPSA-N 0 0 410.470 4.122 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@@H]1O ZINC000468023730 881858733 /nfs/dbraw/zinc/85/87/33/881858733.db2.gz CKVAUTFRBWRUIW-SJCJKPOMSA-N 0 0 406.891 4.242 20 5 HIBDRN CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000440131189 865373337 /nfs/dbraw/zinc/37/33/37/865373337.db2.gz NIBLEGLDAAKILB-UHFFFAOYSA-N 0 0 419.840 4.321 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000440142872 865378512 /nfs/dbraw/zinc/37/85/12/865378512.db2.gz CWLQORJEYBHNJS-AWEZNQCLSA-N 0 0 417.535 4.419 20 5 HIBDRN CC(C)c1nnc2n1CCN(C(=O)c1ccc(Nc3ccccc3)c([N+](=O)[O-])c1)[C@@H]2C ZINC000440158020 865387288 /nfs/dbraw/zinc/38/72/88/865387288.db2.gz JLWRTMHBJOHMMU-OAHLLOKOSA-N 0 0 420.473 4.270 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCc4c[nH]nc4C3)cc2[N+](=O)[O-])cc1 ZINC000468067808 881885039 /nfs/dbraw/zinc/88/50/39/881885039.db2.gz GZCXTZOAWCGXJM-INIZCTEOSA-N 0 0 408.483 4.065 20 5 HIBDRN Cc1c(CC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)cccc1[N+](=O)[O-] ZINC000468075705 881889150 /nfs/dbraw/zinc/88/91/50/881889150.db2.gz QROFYQYMTUNCLP-UHFFFAOYSA-N 0 0 410.367 4.452 20 5 HIBDRN O=C([C@H]1C[C@@]12CCCc1ccccc12)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000440336051 865614942 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CC(=O)c1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000440822503 865938119 /nfs/dbraw/zinc/93/81/19/865938119.db2.gz KHVWKWDZCVNGHZ-UHFFFAOYSA-N 0 0 420.421 4.394 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000440867336 865965269 /nfs/dbraw/zinc/96/52/69/865965269.db2.gz CVJMUBHBHRJMDY-UHFFFAOYSA-N 0 0 414.748 4.070 20 5 HIBDRN CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000440936980 866035534 /nfs/dbraw/zinc/03/55/34/866035534.db2.gz OOVDTIWSVXKHKZ-GOSISDBHSA-N 0 0 404.850 4.416 20 5 HIBDRN O=C(NCCc1cnc(C2CC2)nc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441062743 866143062 /nfs/dbraw/zinc/14/30/62/866143062.db2.gz ICRUULFJMDDGFG-UHFFFAOYSA-N 0 0 420.494 4.386 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000441239096 866314020 /nfs/dbraw/zinc/31/40/20/866314020.db2.gz VNCKWNPOUDQGMC-QGZVFWFLSA-N 0 0 405.813 4.080 20 5 HIBDRN CCOc1ccccc1CN1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 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IVGDIGZTHMWBTD-UHFFFAOYSA-N 0 0 424.457 4.027 20 5 HIBDRN COc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Br ZINC000441830506 866890278 /nfs/dbraw/zinc/89/02/78/866890278.db2.gz YTEMNAIRRQBAPR-UHFFFAOYSA-N 0 0 421.291 4.409 20 5 HIBDRN C[C@H](COCC(F)(F)F)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441835800 866894261 /nfs/dbraw/zinc/89/42/61/866894261.db2.gz RMRNDQYBBBMONB-GFCCVEGCSA-N 0 0 414.405 4.443 20 5 HIBDRN CCOc1ccc(C(=O)NCc2cccc(COCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000441902950 866966683 /nfs/dbraw/zinc/96/66/83/866966683.db2.gz SCMCDHUHNRPBDF-UHFFFAOYSA-N 0 0 412.364 4.002 20 5 HIBDRN CCC[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441923711 866988012 /nfs/dbraw/zinc/98/80/12/866988012.db2.gz IMLMFLWFLXQYJG-OAHLLOKOSA-N 0 0 403.866 4.104 20 5 HIBDRN CC[C@H](CN(CC)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000441968848 867033248 /nfs/dbraw/zinc/03/32/48/867033248.db2.gz ZLPOAHHVQVIAMO-CQSZACIVSA-N 0 0 403.866 4.229 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(n2ccnc2)CC1 ZINC000442007647 867061681 /nfs/dbraw/zinc/06/16/81/867061681.db2.gz VVJFDTQUCGPXFJ-UHFFFAOYSA-N 0 0 408.483 4.420 20 5 HIBDRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000468167202 882044599 /nfs/dbraw/zinc/04/45/99/882044599.db2.gz FMGUPQOSDZOQTM-QGZVFWFLSA-N 0 0 424.501 4.041 20 5 HIBDRN CC[C@H](C)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1 ZINC000442128692 867151583 /nfs/dbraw/zinc/15/15/83/867151583.db2.gz HRKZEMKYABQUNK-KPZWWZAWSA-N 0 0 403.866 4.399 20 5 HIBDRN COC(=O)c1ccc(C(C)C)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000468184010 882060907 /nfs/dbraw/zinc/06/09/07/882060907.db2.gz SGKWRJDVISJKAM-UHFFFAOYSA-N 0 0 411.458 4.357 20 5 HIBDRN O=C(Nc1cc(F)cc(Br)c1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000468190296 882066480 /nfs/dbraw/zinc/06/64/80/882066480.db2.gz ZYRSMUXWRDTTIL-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN Cn1ncc2c1CCC[C@H]2NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442301209 867313276 /nfs/dbraw/zinc/31/32/76/867313276.db2.gz UNKPPBAUPDSLEO-MRXNPFEDSA-N 0 0 408.483 4.287 20 5 HIBDRN C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000442649991 867590302 /nfs/dbraw/zinc/59/03/02/867590302.db2.gz OLKJFDWZTXGOGI-JXFKEZNVSA-N 0 0 422.506 4.468 20 5 HIBDRN C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000442650003 867590477 /nfs/dbraw/zinc/59/04/77/867590477.db2.gz OLKJFDWZTXGOGI-OXQOHEQNSA-N 0 0 422.506 4.468 20 5 HIBDRN O=C(NC[C@H](CO)c1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442677773 867612093 /nfs/dbraw/zinc/61/20/93/867612093.db2.gz MUUIVGHHKLTLEH-QGZVFWFLSA-N 0 0 408.479 4.252 20 5 HIBDRN CCC1(CO)CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000442712768 867643136 /nfs/dbraw/zinc/64/31/36/867643136.db2.gz HCLLLBXBPOTMGO-UHFFFAOYSA-N 0 0 400.500 4.371 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000442747834 867661377 /nfs/dbraw/zinc/66/13/77/867661377.db2.gz 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CC(C)(CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)CC(=O)c1ccccc1 ZINC000443323730 867904192 /nfs/dbraw/zinc/90/41/92/867904192.db2.gz RXHCJYWYEBSGCW-UHFFFAOYSA-N 0 0 407.430 4.008 20 5 HIBDRN CCc1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c2c(CC(C)(C)C)noc2n1 ZINC000443464147 868053513 /nfs/dbraw/zinc/05/35/13/868053513.db2.gz UUKABYJWYLMKHY-UHFFFAOYSA-N 0 0 408.458 4.485 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000443697592 868295862 /nfs/dbraw/zinc/29/58/62/868295862.db2.gz ILPMCXOMNJCFHR-UHFFFAOYSA-N 0 0 408.785 4.088 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)CC2 ZINC000443712178 868299739 /nfs/dbraw/zinc/29/97/39/868299739.db2.gz VVHCSMLGVAKKHZ-UHFFFAOYSA-N 0 0 406.769 4.018 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)c1 ZINC000443743727 868319326 /nfs/dbraw/zinc/31/93/26/868319326.db2.gz JLFGOVSRBJUSEP-UHFFFAOYSA-N 0 0 414.405 4.112 20 5 HIBDRN CC(C)c1nn(C)c2sc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)cc12 ZINC000443828572 868360497 /nfs/dbraw/zinc/36/04/97/868360497.db2.gz SXKVLQCNRQHBDE-UHFFFAOYSA-N 0 0 416.459 4.080 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC(Cc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000443836551 868367556 /nfs/dbraw/zinc/36/75/56/868367556.db2.gz MOCZKIPNMBCHRO-UHFFFAOYSA-N 0 0 420.918 4.191 20 5 HIBDRN Cn1ccnc1[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000443838963 868369511 /nfs/dbraw/zinc/36/95/11/868369511.db2.gz GUGVZOKMVYMDQV-MRXNPFEDSA-N 0 0 422.338 4.006 20 5 HIBDRN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443864907 868397511 /nfs/dbraw/zinc/39/75/11/868397511.db2.gz BRZWFINPYTXCSJ-ZDUSSCGKSA-N 0 0 424.375 4.065 20 5 HIBDRN COc1ccc(OC)c(CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)c1 ZINC000443872699 868404705 /nfs/dbraw/zinc/40/47/05/868404705.db2.gz CTBDWVOMKUSVJO-UHFFFAOYSA-N 0 0 424.375 4.436 20 5 HIBDRN O=C(Cc1ccc(NC(=O)C2CC2)cc1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000443882998 868418263 /nfs/dbraw/zinc/41/82/63/868418263.db2.gz LUVLCDIOCABPDY-UHFFFAOYSA-N 0 0 407.470 4.462 20 5 HIBDRN CCOC(=O)c1cc(N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)ccc1[N+](=O)[O-] ZINC000443889823 868426579 /nfs/dbraw/zinc/42/65/79/868426579.db2.gz SBTLPFVKBZPOPS-CYBMUJFWSA-N 0 0 413.405 4.436 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@H](c4nc5ccc(F)cc5o4)C3)n2)cc1 ZINC000443890581 868427640 /nfs/dbraw/zinc/42/76/40/868427640.db2.gz VTWHKMUWSWEPTJ-ZDUSSCGKSA-N 0 0 409.377 4.309 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000443944412 868480240 /nfs/dbraw/zinc/48/02/40/868480240.db2.gz HTHCLBBMVHOWRG-CQSZACIVSA-N 0 0 420.416 4.213 20 5 HIBDRN COCCN(CCCOc1ccc(F)cc1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443944874 868480529 /nfs/dbraw/zinc/48/05/29/868480529.db2.gz IPLNUZQKJZUTNR-UHFFFAOYSA-N 0 0 419.453 4.300 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000443949220 868485256 /nfs/dbraw/zinc/48/52/56/868485256.db2.gz ORHLNMVRJJDBGB-UHFFFAOYSA-N 0 0 422.283 4.040 20 5 HIBDRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)ccc2NC1=O ZINC000443950701 868486650 /nfs/dbraw/zinc/48/66/50/868486650.db2.gz RLHVVTLFYIMNFO-DYVFJYSZSA-N 0 0 412.446 4.204 20 5 HIBDRN COc1cccc([C@@H](C)N2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)c1 ZINC000443953368 868489693 /nfs/dbraw/zinc/48/96/93/868489693.db2.gz SWWYHYCYWGTWJK-QGZVFWFLSA-N 0 0 412.490 4.131 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(Cc1ccccc1)CC(F)F ZINC000443956281 868490954 /nfs/dbraw/zinc/49/09/54/868490954.db2.gz ATEGCWNRCBCXOP-UHFFFAOYSA-N 0 0 418.318 4.443 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)cc1OC ZINC000443956277 868491102 /nfs/dbraw/zinc/49/11/02/868491102.db2.gz ALUPPTLEHXPGNC-UHFFFAOYSA-N 0 0 416.821 4.094 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccccc2)CC(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000443968861 868500430 /nfs/dbraw/zinc/50/04/30/868500430.db2.gz XTHJBEIGYHCBOP-UHFFFAOYSA-N 0 0 416.327 4.112 20 5 HIBDRN Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000443991956 868514335 /nfs/dbraw/zinc/51/43/35/868514335.db2.gz XMEDQSOQFUQWHT-HNNXBMFYSA-N 0 0 402.394 4.184 20 5 HIBDRN COc1cc(OC)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC ZINC000444009860 868533106 /nfs/dbraw/zinc/53/31/06/868533106.db2.gz MYIBFJGDTCPSRR-UHFFFAOYSA-N 0 0 422.437 4.468 20 5 HIBDRN COc1cccc(C[C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444012143 868535113 /nfs/dbraw/zinc/53/51/13/868535113.db2.gz UQAJDWLQQYEQQZ-ZDUSSCGKSA-N 0 0 422.431 4.329 20 5 HIBDRN COc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c(OC)c1OC ZINC000444014165 868535810 /nfs/dbraw/zinc/53/58/10/868535810.db2.gz YNNDJZFTGNWERW-UHFFFAOYSA-N 0 0 422.437 4.468 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(F)cc(F)c1Br ZINC000468282383 882205215 /nfs/dbraw/zinc/20/52/15/882205215.db2.gz RJOWHNCQZMCKBW-UHFFFAOYSA-N 0 0 400.179 4.076 20 5 HIBDRN CCCC(O)(CCC)CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444074563 868604101 /nfs/dbraw/zinc/60/41/01/868604101.db2.gz MWSYBNFYUNMHCI-UHFFFAOYSA-N 0 0 402.441 4.021 20 5 HIBDRN Cc1ccccc1O[C@@H](C)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444084536 868608378 /nfs/dbraw/zinc/60/83/78/868608378.db2.gz SBEYIXJGCXKTRT-HNNXBMFYSA-N 0 0 404.441 4.326 20 5 HIBDRN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444084097 868608591 /nfs/dbraw/zinc/60/85/91/868608591.db2.gz KKCXPKHMJGXYPR-GOSISDBHSA-N 0 0 400.434 4.101 20 5 HIBDRN COc1ccccc1[C@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444089254 868611092 /nfs/dbraw/zinc/61/10/92/868611092.db2.gz VPITVPTZKFHQOZ-HNNXBMFYSA-N 0 0 416.452 4.459 20 5 HIBDRN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444088310 868611527 /nfs/dbraw/zinc/61/15/27/868611527.db2.gz SJWRFPZEZVEXPS-INIZCTEOSA-N 0 0 418.424 4.240 20 5 HIBDRN COc1cc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c2ccccc2n1 ZINC000444103619 868619756 /nfs/dbraw/zinc/61/97/56/868619756.db2.gz VODHWMKLZPGGCI-UHFFFAOYSA-N 0 0 409.445 4.168 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000444134084 868634640 /nfs/dbraw/zinc/63/46/40/868634640.db2.gz ABIMXLPGIGQXHF-UHFFFAOYSA-N 0 0 412.446 4.264 20 5 HIBDRN CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000444223471 868674403 /nfs/dbraw/zinc/67/44/03/868674403.db2.gz NLLMHXWAOABPJA-UHFFFAOYSA-N 0 0 412.467 4.140 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCS[C@@H]2CCCC[C@H]21 ZINC000444231237 868680083 /nfs/dbraw/zinc/68/00/83/868680083.db2.gz BWRIWRCSQSTTIR-RTBURBONSA-N 0 0 414.477 4.460 20 5 HIBDRN Cc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1C(=O)N(C)C ZINC000444235107 868683358 /nfs/dbraw/zinc/68/33/58/868683358.db2.gz XMBATIYPYLNSRD-UHFFFAOYSA-N 0 0 417.440 4.083 20 5 HIBDRN O=C(N[C@@H]1COc2ccc(Cl)cc21)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444241315 868690697 /nfs/dbraw/zinc/69/06/97/868690697.db2.gz SFDCCSXVEKGJCA-QGZVFWFLSA-N 0 0 408.816 4.337 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cs1 ZINC000444244927 868693513 /nfs/dbraw/zinc/69/35/13/868693513.db2.gz RZLOQLPNWFBZRS-OLZOCXBDSA-N 0 0 417.491 4.392 20 5 HIBDRN O=C(NCCOCc1ccc(Cl)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444252245 868699649 /nfs/dbraw/zinc/69/96/49/868699649.db2.gz ZFPJDPGEJAJXIU-UHFFFAOYSA-N 0 0 406.869 4.281 20 5 HIBDRN Cc1cc(F)ccc1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444253382 868699887 /nfs/dbraw/zinc/69/98/87/868699887.db2.gz YCWGGTJROSEFMY-UHFFFAOYSA-N 0 0 410.395 4.380 20 5 HIBDRN CCOc1cccc(CCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444254722 868700467 /nfs/dbraw/zinc/70/04/67/868700467.db2.gz YGBVTGDXMBCTLY-UHFFFAOYSA-N 0 0 422.431 4.331 20 5 HIBDRN O=C(N[C@@H](CCCO)c1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444253999 868701113 /nfs/dbraw/zinc/70/11/13/868701113.db2.gz ZBANRVYFPDFCOO-FQEVSTJZSA-N 0 0 422.431 4.203 20 5 HIBDRN CCc1n[nH]c(C(=O)N(CC)[C@@H](c2ccc(Cl)cc2)c2ccccn2)c1[N+](=O)[O-] ZINC000444268721 868706443 /nfs/dbraw/zinc/70/64/43/868706443.db2.gz OJFSXIUBLIWAJW-SFHVURJKSA-N 0 0 413.865 4.180 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000444299671 868730207 /nfs/dbraw/zinc/73/02/07/868730207.db2.gz WFJLTZYFUDHLDF-INIZCTEOSA-N 0 0 420.803 4.331 20 5 HIBDRN COc1cccc(C2=CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C2)c1 ZINC000444300116 868730510 /nfs/dbraw/zinc/73/05/10/868730510.db2.gz FIHFGYOFSAHWSH-UHFFFAOYSA-N 0 0 414.436 4.368 20 5 HIBDRN Cc1ccnc(OC2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)c1 ZINC000444300603 868730661 /nfs/dbraw/zinc/73/06/61/868730661.db2.gz IOBRRPWCWOQNGQ-UHFFFAOYSA-N 0 0 413.477 4.068 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@@H](COc2c(C)cccc2C)c2ccccc2)c1[N+](=O)[O-] ZINC000444303096 868734811 /nfs/dbraw/zinc/73/48/11/868734811.db2.gz CLXOHQVCFCPHET-SFHVURJKSA-N 0 0 408.458 4.047 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC=C(c2ccccc2)C1 ZINC000444312658 868742400 /nfs/dbraw/zinc/74/24/00/868742400.db2.gz TYXBKTAIPBGBNG-UHFFFAOYSA-N 0 0 402.400 4.499 20 5 HIBDRN Cc1cnc([C@@H](C)CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)s1 ZINC000444313986 868742481 /nfs/dbraw/zinc/74/24/81/868742481.db2.gz OPURHRNROZRYJA-JTQLQIEISA-N 0 0 413.449 4.258 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1(c2ccccc2)CC1 ZINC000444375826 868800382 /nfs/dbraw/zinc/80/03/82/868800382.db2.gz JLNHHPFYNKLROD-UHFFFAOYSA-N 0 0 400.500 4.137 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000444474870 868844119 /nfs/dbraw/zinc/84/41/19/868844119.db2.gz DTCGPMQQUSDVMA-FZKQIMNGSA-N 0 0 402.413 4.106 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000444480619 868848091 /nfs/dbraw/zinc/84/80/91/868848091.db2.gz KNORSRNDGISNAG-SJKOYZFVSA-N 0 0 420.453 4.310 20 5 HIBDRN CC(C)(C)c1cccc2c1OCCN2C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000444480932 868848807 /nfs/dbraw/zinc/84/88/07/868848807.db2.gz OTSSMUQKPXSJRE-UHFFFAOYSA-N 0 0 406.442 4.117 20 5 HIBDRN COc1cc(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000444529042 868869463 /nfs/dbraw/zinc/86/94/63/868869463.db2.gz RELUDOWZRFKAST-UHFFFAOYSA-N 0 0 424.375 4.092 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1CCc1ccccc1 ZINC000444629564 868920215 /nfs/dbraw/zinc/92/02/15/868920215.db2.gz DDUIBBUJRWDOSQ-UHFFFAOYSA-N 0 0 400.438 4.186 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000444632692 868921359 /nfs/dbraw/zinc/92/13/59/868921359.db2.gz PWXSIZJIIOAFMB-STQMWFEESA-N 0 0 405.241 4.198 20 5 HIBDRN C[C@@H](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1C(F)(F)F ZINC000444633468 868921554 /nfs/dbraw/zinc/92/15/54/868921554.db2.gz TWCQJCMSMGBAFT-NSHDSACASA-N 0 0 406.364 4.300 20 5 HIBDRN CCCCOc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(Cl)c1 ZINC000444633764 868921784 /nfs/dbraw/zinc/92/17/84/868921784.db2.gz DQZUAQGNPCCRCM-UHFFFAOYSA-N 0 0 402.838 4.233 20 5 HIBDRN CCC[C@H](C)c1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 ZINC000444670382 868948178 /nfs/dbraw/zinc/94/81/78/868948178.db2.gz GUYOEJXKGKEDAU-NSHDSACASA-N 0 0 410.424 4.839 20 5 HIBDRN Cn1c2ccccc2nc1[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444683981 868958621 /nfs/dbraw/zinc/95/86/21/868958621.db2.gz HGLJAKIVCOSNML-QFIPXVFZSA-N 0 0 412.453 4.237 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444687604 868958916 /nfs/dbraw/zinc/95/89/16/868958916.db2.gz BCAYSAIYAHZAPM-SNVBAGLBSA-N 0 0 405.252 4.093 20 5 HIBDRN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(OCc2ccccn2)c1 ZINC000444691488 868959865 /nfs/dbraw/zinc/95/98/65/868959865.db2.gz ZKCQSYXNQIKAQN-OAHLLOKOSA-N 0 0 403.442 4.296 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000444698927 868962494 /nfs/dbraw/zinc/96/24/94/868962494.db2.gz DJRWWHCSLZZINL-UHFFFAOYSA-N 0 0 417.263 4.348 20 5 HIBDRN CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1cc(F)cc(F)c1 ZINC000444707226 868966481 /nfs/dbraw/zinc/96/64/81/868966481.db2.gz NJHMRDMYAUTMQQ-UHFFFAOYSA-N 0 0 418.425 4.067 20 5 HIBDRN Cn1c(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)nc2c1cccc2F ZINC000444746249 868985787 /nfs/dbraw/zinc/98/57/87/868985787.db2.gz XGZJIFCIFUAUAA-UHFFFAOYSA-N 0 0 404.376 4.099 20 5 HIBDRN O=C(Nc1cc(-c2ccccc2)on1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444747874 868985910 /nfs/dbraw/zinc/98/59/10/868985910.db2.gz LQNXOSODPUDFEI-UHFFFAOYSA-N 0 0 417.371 4.867 20 5 HIBDRN Cn1c(CCNC(=O)c2cc3ccccc3c3cccnc23)nnc1-c1ccccc1 ZINC000444779407 868999842 /nfs/dbraw/zinc/99/98/42/868999842.db2.gz YHAONAUERKQWFQ-UHFFFAOYSA-N 0 0 407.477 4.156 20 5 HIBDRN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444824843 869033490 /nfs/dbraw/zinc/03/34/90/869033490.db2.gz IAPSODVCVFZCFG-NRFANRHFSA-N 0 0 415.493 4.231 20 5 HIBDRN COc1ccc(Cl)cc1CN(C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000444830058 869037317 /nfs/dbraw/zinc/03/73/17/869037317.db2.gz ZIOYIEYBXJUGQC-UHFFFAOYSA-N 0 0 419.684 4.353 20 5 HIBDRN C[C@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@@H]1O ZINC000468327878 882260482 /nfs/dbraw/zinc/26/04/82/882260482.db2.gz OIWVFEPRZWJCBK-LRDDRELGSA-N 0 0 406.891 4.242 20 5 HIBDRN Cc1coc(-c2cc(NC(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)ccc2C)n1 ZINC000444911164 869097260 /nfs/dbraw/zinc/09/72/60/869097260.db2.gz LIVJZVVNPOMNHQ-UHFFFAOYSA-N 0 0 406.402 4.065 20 5 HIBDRN COCCSc1ccc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000444920435 869105032 /nfs/dbraw/zinc/10/50/32/869105032.db2.gz LCDISGIRZSJJJG-ZDUSSCGKSA-N 0 0 405.476 4.225 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000444921319 869106012 /nfs/dbraw/zinc/10/60/12/869106012.db2.gz HSSMFVJDBZGAFC-UHFFFAOYSA-N 0 0 419.865 4.127 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cccc(CCC(F)(F)F)c1 ZINC000444929685 869113427 /nfs/dbraw/zinc/11/34/27/869113427.db2.gz ZUDLEGLHYSETJZ-UHFFFAOYSA-N 0 0 407.352 4.288 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ncc(C2CCCCC2)s1 ZINC000444946434 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USHIMPYEOBNEMQ-MRXNPFEDSA-N 0 0 417.896 4.343 20 5 HIBDRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445138860 869238363 /nfs/dbraw/zinc/23/83/63/869238363.db2.gz USHIMPYEOBNEMQ-INIZCTEOSA-N 0 0 417.896 4.343 20 5 HIBDRN CC[C@@H](C)Oc1cc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)ccn1 ZINC000445147370 869241896 /nfs/dbraw/zinc/24/18/96/869241896.db2.gz XNYXKPLIUQJWBN-OAHLLOKOSA-N 0 0 401.466 4.184 20 5 HIBDRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445145113 869242285 /nfs/dbraw/zinc/24/22/85/869242285.db2.gz SQZBNHUDOMTOKP-LFVRLGFBSA-N 0 0 404.441 4.326 20 5 HIBDRN CC(C)N1CCc2nc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)sc2C1 ZINC000445162354 869252093 /nfs/dbraw/zinc/25/20/93/869252093.db2.gz QSGZPAGQNNDWOZ-UHFFFAOYSA-N 0 0 418.522 4.157 20 5 HIBDRN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000445169874 869256310 /nfs/dbraw/zinc/25/63/10/869256310.db2.gz AJNRHBYSVLUKFL-NRFANRHFSA-N 0 0 402.425 4.034 20 5 HIBDRN 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O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1C[C@@H](O)Cc2ccccc21 ZINC000447713839 871655448 /nfs/dbraw/zinc/65/54/48/871655448.db2.gz KMWUOVTWYCESEA-SFHVURJKSA-N 0 0 406.463 4.310 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000447714967 871657978 /nfs/dbraw/zinc/65/79/78/871657978.db2.gz NURXFRAJGSRSAK-UHFFFAOYSA-N 0 0 404.825 4.051 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cc(F)c(Cl)cc1F ZINC000447760862 871695528 /nfs/dbraw/zinc/69/55/28/871695528.db2.gz QKKWYANBHLBOJY-UHFFFAOYSA-N 0 0 412.823 4.403 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@H](CSc2ccccc2)C1 ZINC000447800141 871738067 /nfs/dbraw/zinc/73/80/67/871738067.db2.gz PYMNVIJJTZUSRP-IBGZPJMESA-N 0 0 413.543 4.046 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)NCCC(c1ccccc1)c1ccccc1 ZINC000448053602 871883955 /nfs/dbraw/zinc/88/39/55/871883955.db2.gz ZBBUHYYAAOBPQL-UHFFFAOYSA-N 0 0 407.495 4.420 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)c(C(F)(F)F)c1 ZINC000448097021 871937965 /nfs/dbraw/zinc/93/79/65/871937965.db2.gz LUKNUFVUVGIUEX-UHFFFAOYSA-N 0 0 408.357 4.476 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)c2ccccc2Br)c1 ZINC000448173843 872048768 /nfs/dbraw/zinc/04/87/68/872048768.db2.gz NPIQECYPZRFHKT-UHFFFAOYSA-N 0 0 407.264 4.074 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000448209268 872107516 /nfs/dbraw/zinc/10/75/16/872107516.db2.gz PGUYVWBNZUEOEF-NVXWUHKLSA-N 0 0 407.474 4.080 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000448289174 872219009 /nfs/dbraw/zinc/21/90/09/872219009.db2.gz JBRBSPMNEYTFBS-UHFFFAOYSA-N 0 0 419.363 4.463 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000468549469 882592688 /nfs/dbraw/zinc/59/26/88/882592688.db2.gz UMNREYGLNFOGTI-FOIQADDNSA-N 0 0 412.490 4.050 20 5 HIBDRN CN(C(=O)COC(C)(C)C(F)(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000448341508 872283801 /nfs/dbraw/zinc/28/38/01/872283801.db2.gz KLFFSTZTDBJJNP-UHFFFAOYSA-N 0 0 403.382 4.039 20 5 HIBDRN Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000448455916 872406664 /nfs/dbraw/zinc/40/66/64/872406664.db2.gz WJRASLMPBYSXLB-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(-c2ccccc2F)on1 ZINC000448492503 872479323 /nfs/dbraw/zinc/47/93/23/872479323.db2.gz NMHWMTMFYHQHSQ-UHFFFAOYSA-N 0 0 413.408 4.588 20 5 HIBDRN CCOC(=O)c1csc(N(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C2CC2)n1 ZINC000460103647 872563746 /nfs/dbraw/zinc/56/37/46/872563746.db2.gz IPEUPVXOSGMJHQ-UHFFFAOYSA-N 0 0 417.468 4.252 20 5 HIBDRN CCC[C@@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1nc(C)c(C(=O)OCC)s1 ZINC000460125982 872600716 /nfs/dbraw/zinc/60/07/16/872600716.db2.gz UCSZAAUZELTTMJ-CYBMUJFWSA-N 0 0 419.503 4.301 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(CCn3ccc4ccccc43)no2)ccc1N1CCCC1 ZINC000460170133 872723587 /nfs/dbraw/zinc/72/35/87/872723587.db2.gz YIQGSCUVPDSTBR-UHFFFAOYSA-N 0 0 403.442 4.442 20 5 HIBDRN CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460186011 872750103 /nfs/dbraw/zinc/75/01/03/872750103.db2.gz VXJHFWDWNKTNGK-UHFFFAOYSA-N 0 0 415.400 4.037 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000460204970 872783306 /nfs/dbraw/zinc/78/33/06/872783306.db2.gz ONIXVIFJFUXVCU-IBGZPJMESA-N 0 0 423.473 4.232 20 5 HIBDRN CCn1c(-c2ccc(OC)cc2OC)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000460204086 872783491 /nfs/dbraw/zinc/78/34/91/872783491.db2.gz LTJSHZHFEZGCLR-UHFFFAOYSA-N 0 0 423.473 4.059 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000460207284 872787558 /nfs/dbraw/zinc/78/75/58/872787558.db2.gz SXOUJCZGAVUQQF-MGPUTAFESA-N 0 0 407.474 4.469 20 5 HIBDRN CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)s1 ZINC000460221036 872806639 /nfs/dbraw/zinc/80/66/39/872806639.db2.gz LGCIAEGNNBPFJJ-CYBMUJFWSA-N 0 0 400.508 4.398 20 5 HIBDRN CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)s1 ZINC000460221037 872806737 /nfs/dbraw/zinc/80/67/37/872806737.db2.gz LGCIAEGNNBPFJJ-ZDUSSCGKSA-N 0 0 400.508 4.398 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1c2ccccc2N(C)CC[C@H]1C ZINC000460224590 872809674 /nfs/dbraw/zinc/80/96/74/872809674.db2.gz CTPMAFLUYIEPOV-KGLIPLIRSA-N 0 0 403.866 4.277 20 5 HIBDRN CCn1c(COc2ccccc2F)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000460232218 872818781 /nfs/dbraw/zinc/81/87/81/872818781.db2.gz DKRDLANAMXYQQL-UHFFFAOYSA-N 0 0 411.437 4.093 20 5 HIBDRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])n1C)CCO2 ZINC000460256345 872846108 /nfs/dbraw/zinc/84/61/08/872846108.db2.gz WZCUJWPATIAKJD-LJQANCHMSA-N 0 0 421.453 4.108 20 5 HIBDRN COC(C)(C)C[C@@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000460271602 872861194 /nfs/dbraw/zinc/86/11/94/872861194.db2.gz ZTKKKDOPUQFYLA-CABCVRRESA-N 0 0 400.479 4.096 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000460289400 872879411 /nfs/dbraw/zinc/87/94/11/872879411.db2.gz MSQJCJBJKAVVEN-UHFFFAOYSA-N 0 0 410.817 4.077 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000460297589 872888529 /nfs/dbraw/zinc/88/85/29/872888529.db2.gz MSOFLNIUZSTBJN-CQSZACIVSA-N 0 0 408.458 4.098 20 5 HIBDRN CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000460315089 872900417 /nfs/dbraw/zinc/90/04/17/872900417.db2.gz ZAVVZMLRWCIBMK-FPOVZHCZSA-N 0 0 421.501 4.130 20 5 HIBDRN O=C(NCc1cccc(N2CC=CC2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000460379964 873019381 /nfs/dbraw/zinc/01/93/81/873019381.db2.gz SICSMOMUBHSCMG-UHFFFAOYSA-N 0 0 406.467 4.025 20 5 HIBDRN CO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)[C@@H](C)C1 ZINC000460412438 873065570 /nfs/dbraw/zinc/06/55/70/873065570.db2.gz ORACAUAXBZLKJE-UWJYYQICSA-N 0 0 421.501 4.100 20 5 HIBDRN Cc1c(=O)[nH]c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000460430561 873094697 /nfs/dbraw/zinc/09/46/97/873094697.db2.gz UNFPLXWYJMLTFW-ZDUSSCGKSA-N 0 0 410.455 4.185 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@@H](C)Oc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000460442690 873111635 /nfs/dbraw/zinc/11/16/35/873111635.db2.gz GWJCFTVQQDETFA-CYBMUJFWSA-N 0 0 424.906 4.074 20 5 HIBDRN CCOc1cc(C(=O)N(C)[C@@H](CC)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000460444845 873113897 /nfs/dbraw/zinc/11/38/97/873113897.db2.gz QBSYFLBKNHZARW-KRWDZBQOSA-N 0 0 400.475 4.404 20 5 HIBDRN Cc1c(=O)[nH]c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nc1-c1ccccc1 ZINC000460450378 873123245 /nfs/dbraw/zinc/12/32/45/873123245.db2.gz RQXYUIOCNYWODC-UHFFFAOYSA-N 0 0 421.438 4.408 20 5 HIBDRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000460449796 873123728 /nfs/dbraw/zinc/12/37/28/873123728.db2.gz QOKXCUWECLFFCW-LJQANCHMSA-N 0 0 421.501 4.276 20 5 HIBDRN C[C@@H](CCc1cccn1C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000460464798 873148984 /nfs/dbraw/zinc/14/89/84/873148984.db2.gz ACTIHPHIXSGFQS-IRXDYDNUSA-N 0 0 421.501 4.253 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c1 ZINC000460468389 873151643 /nfs/dbraw/zinc/15/16/43/873151643.db2.gz RRHPKWVEFYPSOH-UHFFFAOYSA-N 0 0 419.478 4.335 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000460470888 873156007 /nfs/dbraw/zinc/15/60/07/873156007.db2.gz WKLRQLDXIKQPEJ-UHFFFAOYSA-N 0 0 410.257 4.299 20 5 HIBDRN CN(C)c1ncncc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000460476089 873161636 /nfs/dbraw/zinc/16/16/36/873161636.db2.gz ACIXEKUIPWBIGY-UHFFFAOYSA-N 0 0 413.821 4.149 20 5 HIBDRN O=C(Nc1ccc(F)cc1OC(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000460487442 873173951 /nfs/dbraw/zinc/17/39/51/873173951.db2.gz IARHVMWTIDRXOF-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN Cc1ccnc(Oc2cc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)ccc2C)c1 ZINC000460502989 873188133 /nfs/dbraw/zinc/18/81/33/873188133.db2.gz XEPAHPRZEZTCKB-UHFFFAOYSA-N 0 0 421.409 4.422 20 5 HIBDRN Cc1ccc(CC[C@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000460512939 873200083 /nfs/dbraw/zinc/20/00/83/873200083.db2.gz BBRYDXMDBJZATI-LBPRGKRZSA-N 0 0 413.396 4.455 20 5 HIBDRN COc1cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)cc([N+](=O)[O-])c1OC ZINC000460515054 873202517 /nfs/dbraw/zinc/20/25/17/873202517.db2.gz IXJRBZBFMWIOBD-UHFFFAOYSA-N 0 0 424.375 4.440 20 5 HIBDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000468601893 882700416 /nfs/dbraw/zinc/70/04/16/882700416.db2.gz XIUYLMJLIXNYPA-ABPVARSCSA-N 0 0 417.531 4.328 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@@H](C)CO2)c1 ZINC000460582690 873318779 /nfs/dbraw/zinc/31/87/79/873318779.db2.gz JFVPJCZLVBVBMS-OXJNMPFZSA-N 0 0 400.500 4.292 20 5 HIBDRN Cn1c(C(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000460592427 873332358 /nfs/dbraw/zinc/33/23/58/873332358.db2.gz NHIUSRIMLVAYII-GOSISDBHSA-N 0 0 405.788 4.384 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c2ccccc2O1 ZINC000460622841 873365408 /nfs/dbraw/zinc/36/54/08/873365408.db2.gz XWBSRGNIPWLWRN-LJQANCHMSA-N 0 0 420.469 4.274 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc1[N+](=O)[O-] ZINC000460645593 873385766 /nfs/dbraw/zinc/38/57/66/873385766.db2.gz AKRWAIPAWJTGFZ-CALCHBBNSA-N 0 0 410.495 4.276 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCc2ccccc2[C@@H]1C ZINC000460720415 873519161 /nfs/dbraw/zinc/51/91/61/873519161.db2.gz CBFGCCAWWJHMJL-KRWDZBQOSA-N 0 0 421.501 4.404 20 5 HIBDRN Cc1nc2ccccc2n1CCc1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000460818233 873700398 /nfs/dbraw/zinc/70/03/98/873700398.db2.gz DBTRBMQAAMMUQZ-UHFFFAOYSA-N 0 0 404.430 4.120 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000460837638 873726963 /nfs/dbraw/zinc/72/69/63/873726963.db2.gz OUZCFLAHBWBJNK-UHFFFAOYSA-N 0 0 415.493 4.451 20 5 HIBDRN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000460863430 873768056 /nfs/dbraw/zinc/76/80/56/873768056.db2.gz LSGMPWCZXQRSIW-PBHICJAKSA-N 0 0 405.248 4.007 20 5 HIBDRN Cc1cccnc1-c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1CC(C)C ZINC000460865940 873771916 /nfs/dbraw/zinc/77/19/16/873771916.db2.gz VQFLFQVTEUKDEG-UHFFFAOYSA-N 0 0 406.490 4.382 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c1 ZINC000460935844 873836590 /nfs/dbraw/zinc/83/65/90/873836590.db2.gz XEZJFWQCCIKYMQ-UHFFFAOYSA-N 0 0 400.438 4.231 20 5 HIBDRN CCc1cc(NCc2ncc(-c3ccccc3)cn2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000460944592 873844135 /nfs/dbraw/zinc/84/41/35/873844135.db2.gz GKIKJVYVBCNGQJ-UHFFFAOYSA-N 0 0 412.453 4.105 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCCC3(CCOCC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000461011561 873884256 /nfs/dbraw/zinc/88/42/56/873884256.db2.gz GSPAZZWKRFCBLH-QGZVFWFLSA-N 0 0 424.501 4.196 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C)nc3C)cc([N+](=O)[O-])c2)c(C)n1 ZINC000461030679 873894094 /nfs/dbraw/zinc/89/40/94/873894094.db2.gz QYKMLZDOLCTHMT-UHFFFAOYSA-N 0 0 419.441 4.123 20 5 HIBDRN Cc1ccc2c(c1)CCN2c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000461052374 873924465 /nfs/dbraw/zinc/92/44/65/873924465.db2.gz OPGKBDBSEPIJAM-IBGZPJMESA-N 0 0 405.458 4.035 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3c3ccccc3)n2C[C@@H]2CCCO2)c1 ZINC000461060878 873940470 /nfs/dbraw/zinc/94/04/70/873940470.db2.gz FRIBIEORBBREKQ-SFTDATJTSA-N 0 0 419.485 4.374 20 5 HIBDRN CC(C)CN(C(=O)[C@@H]1C[C@@]12CCOC2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000461103107 874022636 /nfs/dbraw/zinc/02/26/36/874022636.db2.gz XTBFLZACKDAPMH-MGPUTAFESA-N 0 0 401.488 4.134 20 5 HIBDRN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nn1C1CCCCC1 ZINC000461107942 874028533 /nfs/dbraw/zinc/02/85/33/874028533.db2.gz KEFSRZFVBMSQKG-UHFFFAOYSA-N 0 0 414.509 4.804 20 5 HIBDRN CCOC(=O)c1sc2ccsc2c1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000461107038 874029033 /nfs/dbraw/zinc/02/90/33/874029033.db2.gz IGKXTOWWJCINSJ-UHFFFAOYSA-N 0 0 404.469 4.286 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCO2)C2CC2)cc1 ZINC000461120414 874046199 /nfs/dbraw/zinc/04/61/99/874046199.db2.gz BQHBXANGZNAIOH-NRFANRHFSA-N 0 0 419.485 4.201 20 5 HIBDRN CC1(C)[C@@H]2CN(C(=O)c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000461174018 874147856 /nfs/dbraw/zinc/14/78/56/874147856.db2.gz WMIFYUHQAXRXIJ-IYBDPMFKSA-N 0 0 413.861 4.229 20 5 HIBDRN CCN(Cc1cccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000461176016 874152191 /nfs/dbraw/zinc/15/21/91/874152191.db2.gz UWRHMKWNQULEFZ-KRWDZBQOSA-N 0 0 413.503 4.120 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C)cc3O)cc([N+](=O)[O-])c2)c(O)c1 ZINC000461189813 874182124 /nfs/dbraw/zinc/18/21/24/874182124.db2.gz JHRZMPQFZZDLDV-UHFFFAOYSA-N 0 0 421.409 4.127 20 5 HIBDRN Cc1ccc(N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(Br)c1 ZINC000461207263 874208439 /nfs/dbraw/zinc/20/84/39/874208439.db2.gz IOXATNVAQPUSJA-UHFFFAOYSA-N 0 0 413.293 4.108 20 5 HIBDRN Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 ZINC000461224451 874227342 /nfs/dbraw/zinc/22/73/42/874227342.db2.gz GHAYHCHXEUXOLH-UHFFFAOYSA-N 0 0 419.684 4.144 20 5 HIBDRN CC(C)(C)Cc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@H]1CCCO1 ZINC000461243022 874244708 /nfs/dbraw/zinc/24/47/08/874244708.db2.gz ILEYWDMQDBNNJI-GOSISDBHSA-N 0 0 413.522 4.123 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1[N+](=O)[O-] ZINC000461250045 874253531 /nfs/dbraw/zinc/25/35/31/874253531.db2.gz VDGRFYICGXYFKX-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@@H]2OC ZINC000468684076 882809654 /nfs/dbraw/zinc/80/96/54/882809654.db2.gz SMWMUNWISPZDAR-KRWDZBQOSA-N 0 0 418.471 4.056 20 5 HIBDRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000461274282 874283162 /nfs/dbraw/zinc/28/31/62/874283162.db2.gz WSELPDRULLKGGA-UHFFFAOYSA-N 0 0 418.881 4.141 20 5 HIBDRN CO[C@@H]1CCOc2c(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000468690564 882814797 /nfs/dbraw/zinc/81/47/97/882814797.db2.gz ZMRQEMQAXVYVJQ-MEDUHNTESA-N 0 0 406.822 4.124 20 5 HIBDRN COC[C@@H]1CCCC[N@H+](Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000468697877 882819212 /nfs/dbraw/zinc/81/92/12/882819212.db2.gz ZXRWNWVYFWKOLP-LJQANCHMSA-N 0 0 414.502 4.431 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1ncc(-c2ccc(Cl)cc2)o1 ZINC000468698852 882820105 /nfs/dbraw/zinc/82/01/05/882820105.db2.gz CILBIFUPLPQVNH-UHFFFAOYSA-N 0 0 410.860 4.458 20 5 HIBDRN CCC[C@H](C)[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461362174 874364234 /nfs/dbraw/zinc/36/42/34/874364234.db2.gz GHUVLAOPNFLOLV-ABSDTBQOSA-N 0 0 413.522 4.295 20 5 HIBDRN CCC[C@H](C)[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 ZINC000461362175 874364927 /nfs/dbraw/zinc/36/49/27/874364927.db2.gz GHUVLAOPNFLOLV-QKLQHJQFSA-N 0 0 413.522 4.295 20 5 HIBDRN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000468703947 882821501 /nfs/dbraw/zinc/82/15/01/882821501.db2.gz NUJVLWOWHLZJBV-UHFFFAOYSA-N 0 0 408.458 4.317 20 5 HIBDRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000468703699 882821595 /nfs/dbraw/zinc/82/15/95/882821595.db2.gz LONRPYYVVUERPH-JTQLQIEISA-N 0 0 400.435 4.239 20 5 HIBDRN Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2N)nc1-c1c(F)cc(F)cc1F ZINC000468705523 882822205 /nfs/dbraw/zinc/82/22/05/882822205.db2.gz JVMFANUIZKNVOY-UHFFFAOYSA-N 0 0 408.361 4.279 20 5 HIBDRN Cc1cc(C)cc(N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)c1 ZINC000461378408 874385083 /nfs/dbraw/zinc/38/50/83/874385083.db2.gz XUTNLQZLIRTJNP-KRWDZBQOSA-N 0 0 407.474 4.275 20 5 HIBDRN C[C@@H](CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(Br)cc1 ZINC000461399329 874408470 /nfs/dbraw/zinc/40/84/70/874408470.db2.gz PJMDBTCPHFKDIL-ZDUSSCGKSA-N 0 0 419.275 4.272 20 5 HIBDRN O=C(CSc1cccc(C(F)(F)F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461400301 874411226 /nfs/dbraw/zinc/41/12/26/874411226.db2.gz JLETUPADJVBDMS-UHFFFAOYSA-N 0 0 412.389 4.127 20 5 HIBDRN Cc1sc(Br)c(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000461402444 874413352 /nfs/dbraw/zinc/41/33/52/874413352.db2.gz BZVFMVVKSCJBMU-UHFFFAOYSA-N 0 0 411.277 4.070 20 5 HIBDRN COc1ccc2nc(C3CC3)cc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c2c1 ZINC000461403836 874413829 /nfs/dbraw/zinc/41/38/29/874413829.db2.gz CTCIIWWIXSSYCC-UHFFFAOYSA-N 0 0 419.437 4.064 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461408600 874422158 /nfs/dbraw/zinc/42/21/58/874422158.db2.gz AIZPLZMZBYWXNI-HZPDHXFCSA-N 0 0 407.253 4.426 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(C(=O)N2CCCC[C@@H]2CCO)c1 ZINC000468741275 882838007 /nfs/dbraw/zinc/83/80/07/882838007.db2.gz YZUAUTBWMONGMS-MTPVXSITSA-N 0 0 423.513 4.487 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(C(=O)N2CCCC[C@H]2CCO)c1 ZINC000468741274 882838334 /nfs/dbraw/zinc/83/83/34/882838334.db2.gz YZUAUTBWMONGMS-JIDPPIHHSA-N 0 0 423.513 4.487 20 5 HIBDRN CCOCc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1Cc1cccs1 ZINC000461480163 874539544 /nfs/dbraw/zinc/53/95/44/874539544.db2.gz LRGIJXRZZHEMSA-UHFFFAOYSA-N 0 0 415.519 4.248 20 5 HIBDRN Cc1cccc(CN(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccs2)n1 ZINC000461499863 874573317 /nfs/dbraw/zinc/57/33/17/874573317.db2.gz XAXLFAIYSOEOAI-UHFFFAOYSA-N 0 0 420.498 4.303 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000468761264 882847765 /nfs/dbraw/zinc/84/77/65/882847765.db2.gz AMQMICPTUZMGNW-UHFFFAOYSA-N 0 0 402.447 4.191 20 5 HIBDRN Cc1ccc([C@H](C)N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)cc1 ZINC000461571762 874671820 /nfs/dbraw/zinc/67/18/20/874671820.db2.gz FNDOBSZRNZACNN-ROUUACIJSA-N 0 0 421.501 4.396 20 5 HIBDRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 ZINC000461576207 874680523 /nfs/dbraw/zinc/68/05/23/874680523.db2.gz YAYRENVNYNKFPJ-GJZGRUSLSA-N 0 0 413.503 4.149 20 5 HIBDRN CC(C)CC[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 ZINC000461578615 874684347 /nfs/dbraw/zinc/68/43/47/874684347.db2.gz CLBAQLMCMMPGFE-MJGOQNOKSA-N 0 0 413.522 4.295 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000461630904 874788000 /nfs/dbraw/zinc/78/80/00/874788000.db2.gz YZFUONWTSAMWCW-KRWDZBQOSA-N 0 0 411.849 4.276 20 5 HIBDRN CC(C)C[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 ZINC000461655012 874809371 /nfs/dbraw/zinc/80/93/71/874809371.db2.gz CZJZQOFETDDISI-ICSRJNTNSA-N 0 0 413.522 4.437 20 5 HIBDRN COc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000461675937 874826147 /nfs/dbraw/zinc/82/61/47/874826147.db2.gz PTQMBBNLVWIQLU-FQEVSTJZSA-N 0 0 402.472 4.278 20 5 HIBDRN Cc1cc(NCc2ccc(N3CCO[C@@H](C)C3)nc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461780535 874903670 /nfs/dbraw/zinc/90/36/70/874903670.db2.gz YBSGNMUYWCHWRW-ZDUSSCGKSA-N 0 0 410.396 4.154 20 5 HIBDRN CSCC[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 ZINC000461829977 874960621 /nfs/dbraw/zinc/96/06/21/874960621.db2.gz GUQBJUCSUSZVGN-QAPCUYQASA-N 0 0 419.551 4.000 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2nnc(C3CCC3)n2C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000461843593 874983104 /nfs/dbraw/zinc/98/31/04/874983104.db2.gz ZONLAYSCKXXWES-FQEVSTJZSA-N 0 0 411.506 4.192 20 5 HIBDRN CC[C@]1(C)CCN(C(=O)c2ccc(C(=O)N3CC[C@](C)(CC)C3)cc2[N+](=O)[O-])C1 ZINC000468836888 882883669 /nfs/dbraw/zinc/88/36/69/882883669.db2.gz FALCNICKKNZZHZ-FCHUYYIVSA-N 0 0 401.507 4.119 20 5 HIBDRN CNC(=O)Cn1ccc2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc21 ZINC000461860228 875008498 /nfs/dbraw/zinc/00/84/98/875008498.db2.gz SMVWXBMOAKFJFR-UHFFFAOYSA-N 0 0 408.461 4.341 20 5 HIBDRN Cc1cc(N2CCN([C@@H](C)c3nccs3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461944446 875076673 /nfs/dbraw/zinc/07/66/73/875076673.db2.gz VJVKZKRDXUKADR-LBPRGKRZSA-N 0 0 400.426 4.262 20 5 HIBDRN Cc1cc(N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461946072 875078147 /nfs/dbraw/zinc/07/81/47/875078147.db2.gz MBPAUDNMOWRATJ-HNNXBMFYSA-N 0 0 415.469 4.278 20 5 HIBDRN Cc1c(CN[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000462184878 875285124 /nfs/dbraw/zinc/28/51/24/875285124.db2.gz DJEFELKALTWTLK-QFIPXVFZSA-N 0 0 410.495 4.186 20 5 HIBDRN Cc1c(CN[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000462184871 875285649 /nfs/dbraw/zinc/28/56/49/875285649.db2.gz DJEFELKALTWTLK-JOCHJYFZSA-N 0 0 410.495 4.186 20 5 HIBDRN CC(C)(NC(=O)N[C@H]1c2ccccc2CC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000462317621 875438199 /nfs/dbraw/zinc/43/81/99/875438199.db2.gz ZEUSIBKHMSQQBQ-FQEVSTJZSA-N 0 0 409.486 4.223 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000462327960 875444528 /nfs/dbraw/zinc/44/45/28/875444528.db2.gz QATYSOZPZQYRPZ-ZDUSSCGKSA-N 0 0 415.298 4.155 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462377036 875487413 /nfs/dbraw/zinc/48/74/13/875487413.db2.gz NDUUZYMZRWZNOV-MQMHXKEQSA-N 0 0 405.248 4.042 20 5 HIBDRN Cc1cccc(Oc2ccc(Cl)cc2NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000468890697 882935227 /nfs/dbraw/zinc/93/52/27/882935227.db2.gz JJKODRPDANOKRJ-UHFFFAOYSA-N 0 0 413.817 4.149 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(Br)s1 ZINC000462420572 875527478 /nfs/dbraw/zinc/52/74/78/875527478.db2.gz GOSPEESBXZTFIS-ZDUSSCGKSA-N 0 0 411.321 4.346 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462423303 875531223 /nfs/dbraw/zinc/53/12/23/875531223.db2.gz XFEFOGDBILTIHV-CQSZACIVSA-N 0 0 417.393 4.250 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000462436039 875540865 /nfs/dbraw/zinc/54/08/65/875540865.db2.gz JRTROKBPJXESTF-ZIFCJYIRSA-N 0 0 411.502 4.416 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000462436038 875541196 /nfs/dbraw/zinc/54/11/96/875541196.db2.gz JRTROKBPJXESTF-ZHALLVOQSA-N 0 0 411.502 4.416 20 5 HIBDRN CCn1cc(C2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)cn1 ZINC000462479238 875586640 /nfs/dbraw/zinc/58/66/40/875586640.db2.gz GLNNBOOUTDYNAZ-UHFFFAOYSA-N 0 0 407.474 4.169 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC000462501742 875617823 /nfs/dbraw/zinc/61/78/23/875617823.db2.gz MZNXYIYBTMZEDB-PKOBYXMFSA-N 0 0 411.502 4.195 20 5 HIBDRN COc1cc(C)c(Br)cc1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000462526969 875645200 /nfs/dbraw/zinc/64/52/00/875645200.db2.gz NZKCZYWWZFNWSB-LLVKDONJSA-N 0 0 408.252 4.113 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H](C)c2cccc(Br)c2)c(C)c([N+](=O)[O-])c1 ZINC000462548670 875670698 /nfs/dbraw/zinc/67/06/98/875670698.db2.gz KQOYOMKFHBIRIG-JTQLQIEISA-N 0 0 421.247 4.195 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000462570392 875695324 /nfs/dbraw/zinc/69/53/24/875695324.db2.gz HAODDGFKAGOHMA-ZDUSSCGKSA-N 0 0 412.920 4.051 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000462570391 875695498 /nfs/dbraw/zinc/69/54/98/875695498.db2.gz HAODDGFKAGOHMA-CYBMUJFWSA-N 0 0 412.920 4.051 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H]1c1cccc(C)c1C ZINC000462586147 875704803 /nfs/dbraw/zinc/70/48/03/875704803.db2.gz DZCUWVOHKFRMMQ-SFHVURJKSA-N 0 0 404.488 4.136 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 ZINC000462618095 875729868 /nfs/dbraw/zinc/72/98/68/875729868.db2.gz OJVWZZBQSXKXLK-GHTZIAJQSA-N 0 0 404.470 4.191 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000462619150 875731911 /nfs/dbraw/zinc/73/19/11/875731911.db2.gz NDBIEDSMJIZEPA-LKUPVBHCSA-N 0 0 400.450 4.339 20 5 HIBDRN CCCC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)OC(C)(C)C ZINC000462629351 875741334 /nfs/dbraw/zinc/74/13/34/875741334.db2.gz FRRMBIGQVODNQM-LJQANCHMSA-N 0 0 422.525 4.171 20 5 HIBDRN C[C@H](NC(=O)Cn1ccc2c1cccc2[N+](=O)[O-])c1ccc(Br)cc1 ZINC000462635287 875745743 /nfs/dbraw/zinc/74/57/43/875745743.db2.gz CIWKXSRBRXKBHX-LBPRGKRZSA-N 0 0 402.248 4.189 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000462639387 875749173 /nfs/dbraw/zinc/74/91/73/875749173.db2.gz KDRLEMZKYYLIDS-HNNXBMFYSA-N 0 0 417.506 4.492 20 5 HIBDRN CCN([C@H](Cc1ccc(F)cc1)C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000462654971 875761091 /nfs/dbraw/zinc/76/10/91/875761091.db2.gz GDFYJHCHSMCKEW-GOSISDBHSA-N 0 0 424.494 4.020 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CC[C@H](n3ncc4ccccc43)C2)nc1OCc1ccccc1 ZINC000462703196 875789714 /nfs/dbraw/zinc/78/97/14/875789714.db2.gz JSXRJDIFPJXYHC-IBGZPJMESA-N 0 0 415.453 4.370 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000462705635 875791067 /nfs/dbraw/zinc/79/10/67/875791067.db2.gz MVQGGAGKNVBHEL-KSSFIOAISA-N 0 0 424.906 4.016 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000462705634 875791426 /nfs/dbraw/zinc/79/14/26/875791426.db2.gz MVQGGAGKNVBHEL-KDOFPFPSSA-N 0 0 424.906 4.016 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000462770272 875830061 /nfs/dbraw/zinc/83/00/61/875830061.db2.gz XQRMUJLNDFWDHB-PGRDOPGGSA-N 0 0 416.905 4.023 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1 ZINC000462775571 875833680 /nfs/dbraw/zinc/83/36/80/875833680.db2.gz GYTONMLVHUSRIQ-UHFFFAOYSA-N 0 0 420.303 4.045 20 5 HIBDRN COc1cccc(OC)c1Oc1ccc(CNc2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000462778915 875834704 /nfs/dbraw/zinc/83/47/04/875834704.db2.gz MMPGZHDGUVZTQS-UHFFFAOYSA-N 0 0 411.414 4.420 20 5 HIBDRN CNc1c(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000462778103 875835108 /nfs/dbraw/zinc/83/51/08/875835108.db2.gz RCVHQFJFONOHHF-AWEZNQCLSA-N 0 0 403.866 4.221 20 5 HIBDRN COc1cc(CNc2cn(C)nc2C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000462861876 875893684 /nfs/dbraw/zinc/89/36/84/875893684.db2.gz UWYNNHMEIIQGRR-UHFFFAOYSA-N 0 0 408.458 4.405 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000462891333 875916490 /nfs/dbraw/zinc/91/64/90/875916490.db2.gz QRRUCPRIGCIRSV-HXUWFJFHSA-N 0 0 422.403 4.071 20 5 HIBDRN Cc1nn(C)c(NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1[N+](=O)[O-] ZINC000462895439 875920989 /nfs/dbraw/zinc/92/09/89/875920989.db2.gz LYUHIXUWQMNAQL-UHFFFAOYSA-N 0 0 407.352 4.455 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000462914683 875941438 /nfs/dbraw/zinc/94/14/38/875941438.db2.gz URQKKHDQPFWSPW-AXHNFQJDSA-N 0 0 404.850 4.052 20 5 HIBDRN O=[N+]([O-])c1c(NC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)ccc2ncccc21 ZINC000462924781 875954075 /nfs/dbraw/zinc/95/40/75/875954075.db2.gz LLJCMUQDHFXWOH-AWEZNQCLSA-N 0 0 421.375 4.305 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)c2ncccc12 ZINC000462924904 875954178 /nfs/dbraw/zinc/95/41/78/875954178.db2.gz HWFXWMZZKPKIDV-CQSZACIVSA-N 0 0 421.375 4.305 20 5 HIBDRN CNc1c(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000462929850 875957997 /nfs/dbraw/zinc/95/79/97/875957997.db2.gz SXTCPGMYWULYTG-UHFFFAOYSA-N 0 0 404.426 4.165 20 5 HIBDRN CNc1c(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000462930980 875958936 /nfs/dbraw/zinc/95/89/36/875958936.db2.gz KMZKPKYEWFJIHC-UHFFFAOYSA-N 0 0 411.462 4.297 20 5 HIBDRN CC1(C)[C@@H](O)CCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000462930636 875959367 /nfs/dbraw/zinc/95/93/67/875959367.db2.gz KDELSGTTYMFXDT-KRWDZBQOSA-N 0 0 406.891 4.385 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(N(C)CCc2cccs2)c([N+](=O)[O-])c1 ZINC000462936719 875961930 /nfs/dbraw/zinc/96/19/30/875961930.db2.gz STGCZEKYVUBKHR-UHFFFAOYSA-N 0 0 424.478 4.353 20 5 HIBDRN Cc1nc(-c2ccncc2)nc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000462943156 875964855 /nfs/dbraw/zinc/96/48/55/875964855.db2.gz VNHZOVDZSYNIET-UHFFFAOYSA-N 0 0 405.458 4.111 20 5 HIBDRN C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC000462942819 875965139 /nfs/dbraw/zinc/96/51/39/875965139.db2.gz LWZZZZKBKDLEMV-OAHLLOKOSA-N 0 0 424.888 4.076 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@](CO)(c2ccccc2)C1 ZINC000462967519 875981220 /nfs/dbraw/zinc/98/12/20/875981220.db2.gz MNQODNALDIJRQD-DEOSSOPVSA-N 0 0 417.465 4.115 20 5 HIBDRN CCN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000462988314 876002979 /nfs/dbraw/zinc/00/29/79/876002979.db2.gz IAAHGFLWLCNQDC-INIZCTEOSA-N 0 0 403.866 4.111 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000462995400 876009915 /nfs/dbraw/zinc/00/99/15/876009915.db2.gz POUAYCKLFBQRRK-FXAWDEMLSA-N 0 0 410.470 4.298 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC(c2ccccc2F)C1 ZINC000463002535 876015725 /nfs/dbraw/zinc/01/57/25/876015725.db2.gz QTBJCZNRBUVQJL-UHFFFAOYSA-N 0 0 408.379 4.338 20 5 HIBDRN CC(C)[C@H]1CN(c2nc(N3CCS[C@@H](C(C)C)C3)c([N+](=O)[O-])s2)CCS1 ZINC000463010091 876024468 /nfs/dbraw/zinc/02/44/68/876024468.db2.gz JOFUPQAVISLLJN-ZIAGYGMSSA-N 0 0 416.638 4.207 20 5 HIBDRN CS(=O)(=O)c1cccc([C@@H](Nc2ccc([N+](=O)[O-])cc2F)c2ccc(F)cc2)c1 ZINC000463075324 876106343 /nfs/dbraw/zinc/10/63/43/876106343.db2.gz AXGCHIALWPXURR-FQEVSTJZSA-N 0 0 418.421 4.478 20 5 HIBDRN C[C@H](c1ccsc1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000463085655 876116402 /nfs/dbraw/zinc/11/64/02/876116402.db2.gz GETSTKRAJNYVNO-CYBMUJFWSA-N 0 0 401.513 4.390 20 5 HIBDRN CN(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000463136979 876186522 /nfs/dbraw/zinc/18/65/22/876186522.db2.gz HTVQSZRQMAZILG-UHFFFAOYSA-N 0 0 411.408 4.215 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463151450 876205280 /nfs/dbraw/zinc/20/52/80/876205280.db2.gz ORNGWYPDYKMNAO-AWEZNQCLSA-N 0 0 410.499 4.340 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ncsc3Cl)no2)ccc1[N+](=O)[O-] ZINC000463182363 876239687 /nfs/dbraw/zinc/23/96/87/876239687.db2.gz FBKIFRLGWUQLNF-GFCCVEGCSA-N 0 0 419.850 4.040 20 5 HIBDRN COc1ccc(Cc2nnc(S[C@H](C)c3ccccc3[N+](=O)[O-])o2)cc1OC ZINC000463204845 876266030 /nfs/dbraw/zinc/26/60/30/876266030.db2.gz LDZLRTNRCKAIJE-GFCCVEGCSA-N 0 0 401.444 4.439 20 5 HIBDRN C[C@H](c1ccsc1)N1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC000463216234 876274823 /nfs/dbraw/zinc/27/48/23/876274823.db2.gz XMDGWHQQYIXAMD-GFCCVEGCSA-N 0 0 413.421 4.194 20 5 HIBDRN COC(=O)[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)c1ccccc1F ZINC000463256757 876313510 /nfs/dbraw/zinc/31/35/10/876313510.db2.gz KQECUSXNDINEIS-IBGZPJMESA-N 0 0 408.454 4.232 20 5 HIBDRN CCCOc1cc(NC(=O)c2cn(C)nc2C2CC2)c([N+](=O)[O-])cc1OCCC ZINC000463282563 876339848 /nfs/dbraw/zinc/33/98/48/876339848.db2.gz KYFFKCARFLRSLP-UHFFFAOYSA-N 0 0 402.451 4.036 20 5 HIBDRN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000463351833 876404586 /nfs/dbraw/zinc/40/45/86/876404586.db2.gz OCJCPRXLCRETOM-ZDUSSCGKSA-N 0 0 421.375 4.105 20 5 HIBDRN CN(CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000463452706 876511344 /nfs/dbraw/zinc/51/13/44/876511344.db2.gz ZISJEPIENZSNSQ-UHFFFAOYSA-N 0 0 407.455 4.046 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000463539211 876619165 /nfs/dbraw/zinc/61/91/65/876619165.db2.gz OXJUWBXJAYUAAZ-AWEZNQCLSA-N 0 0 416.499 4.184 20 5 HIBDRN CCCOc1cc(NC(=O)Nc2cn(C)nc2C2CC2)c([N+](=O)[O-])cc1OCCC ZINC000463560386 876649239 /nfs/dbraw/zinc/64/92/39/876649239.db2.gz SPVSMWSIRYIHNH-UHFFFAOYSA-N 0 0 417.466 4.427 20 5 HIBDRN O=C(CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc2ccccc21 ZINC000463590061 876697867 /nfs/dbraw/zinc/69/78/67/876697867.db2.gz MPXIQHVAIQOLIF-UHFFFAOYSA-N 0 0 417.343 4.135 20 5 HIBDRN Cc1ccc(NC(=O)c2c(Cl)cccc2I)cc1[N+](=O)[O-] ZINC000463640234 876759539 /nfs/dbraw/zinc/75/95/39/876759539.db2.gz VBLQTNMMEBUSOP-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c2ncccc12 ZINC000463677241 876800253 /nfs/dbraw/zinc/80/02/53/876800253.db2.gz GIHXUHHYPPBBSU-IBGZPJMESA-N 0 0 423.494 4.374 20 5 HIBDRN O=C(COc1c(F)cccc1[N+](=O)[O-])NCc1ccccc1COc1ccccc1 ZINC000463797556 876914990 /nfs/dbraw/zinc/91/49/90/876914990.db2.gz IBBYRSRYPOWTLV-UHFFFAOYSA-N 0 0 410.401 4.008 20 5 HIBDRN Cc1ccc(Br)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000463798860 876915900 /nfs/dbraw/zinc/91/59/00/876915900.db2.gz OBAQTDUUKWOEPX-UHFFFAOYSA-N 0 0 422.260 4.015 20 5 HIBDRN CCO[C@@H](C)c1ncc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)s1 ZINC000463847446 876970012 /nfs/dbraw/zinc/97/00/12/876970012.db2.gz GNXGHYLFMSCUKA-NSHDSACASA-N 0 0 417.409 4.354 20 5 HIBDRN Cc1cc2c(cc1C)O[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)C2 ZINC000463851201 876973259 /nfs/dbraw/zinc/97/32/59/876973259.db2.gz QHMKZDOXAAPWSB-SFHVURJKSA-N 0 0 408.376 4.106 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000469021031 883089260 /nfs/dbraw/zinc/08/92/60/883089260.db2.gz OSWPQORADLADNI-INIZCTEOSA-N 0 0 414.767 4.481 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000463926183 877046473 /nfs/dbraw/zinc/04/64/73/877046473.db2.gz OSUUIVQMORONRR-IBGZPJMESA-N 0 0 423.513 4.056 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H](CO)c1cccc(Br)c1 ZINC000463946285 877067982 /nfs/dbraw/zinc/06/79/82/877067982.db2.gz DPCCNIBDEPOKTB-QGZVFWFLSA-N 0 0 422.279 4.171 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000463947956 877069160 /nfs/dbraw/zinc/06/91/60/877069160.db2.gz FIEBBTZBBLPZBO-TZIWHRDSSA-N 0 0 405.458 4.458 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccc(SC)cc1 ZINC000463947989 877069537 /nfs/dbraw/zinc/06/95/37/877069537.db2.gz FSLWFLBPXQHFNP-QGZVFWFLSA-N 0 0 417.487 4.359 20 5 HIBDRN CCO[C@H](C)c1nc(CN(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cs1 ZINC000463972962 877099602 /nfs/dbraw/zinc/09/96/02/877099602.db2.gz FWFHVOHQJXXZNM-OLZOCXBDSA-N 0 0 409.533 4.288 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000463978725 877107410 /nfs/dbraw/zinc/10/74/10/877107410.db2.gz STTNEBAULMKNLO-UHFFFAOYSA-N 0 0 422.283 4.040 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000464001025 877137632 /nfs/dbraw/zinc/13/76/32/877137632.db2.gz YIWKYKCDFCIKRB-CQSZACIVSA-N 0 0 419.890 4.157 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000464022056 877157896 /nfs/dbraw/zinc/15/78/96/877157896.db2.gz KRAQFZCKLVTZGP-CXAGYDPISA-N 0 0 411.458 4.058 20 5 HIBDRN COCCOc1ccc(C(F)(F)F)cc1NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464080422 877230740 /nfs/dbraw/zinc/23/07/40/877230740.db2.gz BHRZTUSMXOZYPH-UHFFFAOYSA-N 0 0 418.343 4.399 20 5 HIBDRN COc1cc(CNc2ccc(C)c(OCC3CCOCC3)c2)c([N+](=O)[O-])cc1F ZINC000464093945 877249329 /nfs/dbraw/zinc/24/93/29/877249329.db2.gz IQZTTWPZFJYKPR-UHFFFAOYSA-N 0 0 404.438 4.468 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)cc1[N+](=O)[O-] ZINC000464099726 877256713 /nfs/dbraw/zinc/25/67/13/877256713.db2.gz QFDWUXJSZRNPGN-UHFFFAOYSA-N 0 0 419.485 4.318 20 5 HIBDRN CSc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)c2cc(F)ccc2F)c1 ZINC000464115447 877269992 /nfs/dbraw/zinc/26/99/92/877269992.db2.gz GVGBUJCRHNDKMI-IBGZPJMESA-N 0 0 417.437 4.453 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)cc1[N+](=O)[O-] ZINC000464123530 877279822 /nfs/dbraw/zinc/27/98/22/877279822.db2.gz QUONSJPJCBIPOJ-UHFFFAOYSA-N 0 0 405.458 4.064 20 5 HIBDRN CCc1cnc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 ZINC000464126710 877282835 /nfs/dbraw/zinc/28/28/35/877282835.db2.gz RLWZTBRTBNZSQW-CYBMUJFWSA-N 0 0 411.487 4.112 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCN(C)c4ccc(F)cc43)cc2[N+](=O)[O-])C1 ZINC000464268280 877452900 /nfs/dbraw/zinc/45/29/00/877452900.db2.gz QKBFQULVXAIFSO-OAHLLOKOSA-N 0 0 412.465 4.067 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464272701 877457307 /nfs/dbraw/zinc/45/73/07/877457307.db2.gz DOROPUZSPUJTOI-AAEUAGOBSA-N 0 0 408.886 4.153 20 5 HIBDRN CN(C(=O)COc1cc(F)cc(F)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000464281997 877468957 /nfs/dbraw/zinc/46/89/57/877468957.db2.gz WHSDREDNWDBVFW-UHFFFAOYSA-N 0 0 405.382 4.038 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)c2nccs2)CC1 ZINC000464340080 877530810 /nfs/dbraw/zinc/53/08/10/877530810.db2.gz KLOIHNCIMOCARL-AWEZNQCLSA-N 0 0 420.560 4.071 20 5 HIBDRN CC(C)Oc1ccc2ccccc2c1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000464363674 877561024 /nfs/dbraw/zinc/56/10/24/877561024.db2.gz UBNHULDBWKAIQO-UHFFFAOYSA-N 0 0 414.483 4.155 20 5 HIBDRN C[C@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000464403142 877605326 /nfs/dbraw/zinc/60/53/26/877605326.db2.gz MVWIJPSLBRAJAL-SCLBCKFNSA-N 0 0 415.446 4.054 20 5 HIBDRN C[C@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000464424557 877634880 /nfs/dbraw/zinc/63/48/80/877634880.db2.gz GHENZSCKOUAYRH-SCLBCKFNSA-N 0 0 415.446 4.054 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(COc2ccccc2F)on1 ZINC000464441256 877654471 /nfs/dbraw/zinc/65/44/71/877654471.db2.gz UHZXFEKNBRDXEM-UHFFFAOYSA-N 0 0 413.405 4.352 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000464458532 877679205 /nfs/dbraw/zinc/67/92/05/877679205.db2.gz FCHNXUKROAGRBW-VXGBXAGGSA-N 0 0 400.818 4.122 20 5 HIBDRN Cc1oc2ccccc2c1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000464463548 877686264 /nfs/dbraw/zinc/68/62/64/877686264.db2.gz RPHDNYQXONUHGZ-UHFFFAOYSA-N 0 0 403.232 4.384 20 5 HIBDRN O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1cc2ccccc2c2cccnc12 ZINC000464522021 877741886 /nfs/dbraw/zinc/74/18/86/877741886.db2.gz KLBKYNHWPUROSU-WNOPAQSVSA-N 0 0 421.500 4.275 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)c2ccccc2Cl)c(OC)c1 ZINC000464553942 877768802 /nfs/dbraw/zinc/76/88/02/877768802.db2.gz MTODOCTXJVXRGA-LJQANCHMSA-N 0 0 415.833 4.113 20 5 HIBDRN COc1cc(CN[C@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000464614925 877839403 /nfs/dbraw/zinc/83/94/03/877839403.db2.gz XHVLEZKYJQDKAY-LLVKDONJSA-N 0 0 412.437 4.316 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464628730 877846129 /nfs/dbraw/zinc/84/61/29/877846129.db2.gz JKTLUDKEHDOASJ-UHFFFAOYSA-N 0 0 404.850 4.087 20 5 HIBDRN O=C([C@@H]1SCCc2sccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464632389 877850152 /nfs/dbraw/zinc/85/01/52/877850152.db2.gz PFLSRCRWTFHWHC-GOSISDBHSA-N 0 0 404.513 4.057 20 5 HIBDRN O=C(c1ccc(Br)cc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464633577 877851060 /nfs/dbraw/zinc/85/10/60/877851060.db2.gz RTEKFNMLNQMUII-UHFFFAOYSA-N 0 0 423.238 4.180 20 5 HIBDRN C[C@H](CCc1ccccc1F)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464638376 877855489 /nfs/dbraw/zinc/85/54/89/877855489.db2.gz LFWYWMQFIWSVNW-MRXNPFEDSA-N 0 0 400.450 4.373 20 5 HIBDRN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1 ZINC000464638462 877856566 /nfs/dbraw/zinc/85/65/66/877856566.db2.gz MIEPOQDSHGBCLH-CYBMUJFWSA-N 0 0 421.291 4.219 20 5 HIBDRN O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464646037 877864673 /nfs/dbraw/zinc/86/46/73/877864673.db2.gz WYNDEBFKBWKFMQ-UHFFFAOYSA-N 0 0 409.417 4.413 20 5 HIBDRN CCOc1cc(NC(=O)Cc2nc(-c3ccco3)oc2C)c([N+](=O)[O-])cc1OCC ZINC000503299851 912283086 /nfs/dbraw/zinc/28/30/86/912283086.db2.gz DTSOLJSBEKEOAJ-UHFFFAOYSA-N 0 0 415.402 4.130 20 5 HIBDRN CC1(C)CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000464653371 877873396 /nfs/dbraw/zinc/87/33/96/877873396.db2.gz PWGLWFWJIGWFPR-SFTDATJTSA-N 0 0 410.470 4.203 20 5 HIBDRN CCc1cccc2c(CC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c[nH]c21 ZINC000464660546 877881521 /nfs/dbraw/zinc/88/15/21/877881521.db2.gz MPFNZVYTQAKWDF-UHFFFAOYSA-N 0 0 407.470 4.251 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1C(C)C ZINC000464661480 877882677 /nfs/dbraw/zinc/88/26/77/877882677.db2.gz PLXZZGVTMRRAQP-UHFFFAOYSA-N 0 0 412.486 4.475 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1ccc(F)cc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464663339 877883712 /nfs/dbraw/zinc/88/37/12/877883712.db2.gz WNCIIGJSBFRRAW-MOPGFXCFSA-N 0 0 402.397 4.047 20 5 HIBDRN Cc1sc(NC(=O)c2cnc(-c3ncccn3)s2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000503303033 912286521 /nfs/dbraw/zinc/28/65/21/912286521.db2.gz MIHLWABDOCWYBY-UHFFFAOYSA-N 0 0 424.467 4.193 20 5 HIBDRN C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Oc1cccc(Br)c1 ZINC000464690552 877904620 /nfs/dbraw/zinc/90/46/20/877904620.db2.gz LRMLZRKHMFDOCH-NSHDSACASA-N 0 0 418.247 4.036 20 5 HIBDRN COc1ccc(N(C)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)nc1 ZINC000464690529 877905186 /nfs/dbraw/zinc/90/51/86/877905186.db2.gz MLVDJRIJPUWPKS-UHFFFAOYSA-N 0 0 416.484 4.191 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1C(=O)N1CCCC2(C1)CCCCCC2 ZINC000464691987 877906537 /nfs/dbraw/zinc/90/65/37/877906537.db2.gz PJHCRADKRYYUBJ-MRXNPFEDSA-N 0 0 419.547 4.224 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCOC[C@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000464702369 877920981 /nfs/dbraw/zinc/92/09/81/877920981.db2.gz HXGOJSWQDZNDIN-PNCHPQGNSA-N 0 0 423.513 4.291 20 5 HIBDRN NC(=O)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)c(OCC(F)F)c1 ZINC000464707055 877930895 /nfs/dbraw/zinc/93/08/95/877930895.db2.gz GEHZJCNXPSPQCK-UHFFFAOYSA-N 0 0 421.403 4.383 20 5 HIBDRN CCSCC[C@@H](C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000464713480 877937994 /nfs/dbraw/zinc/93/79/94/877937994.db2.gz WBCIIZUPWRPFOB-HUUCEWRRSA-N 0 0 402.520 4.424 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000464719115 877945289 /nfs/dbraw/zinc/94/52/89/877945289.db2.gz OSQKXVGEHPVMIF-OFNKIYASSA-N 0 0 423.513 4.401 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000464719113 877946020 /nfs/dbraw/zinc/94/60/20/877946020.db2.gz OSQKXVGEHPVMIF-NFBKMPQASA-N 0 0 423.513 4.401 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000464719114 877946111 /nfs/dbraw/zinc/94/61/11/877946111.db2.gz OSQKXVGEHPVMIF-NZQKXSOJSA-N 0 0 423.513 4.401 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)cccc1I ZINC000464722521 877951265 /nfs/dbraw/zinc/95/12/65/877951265.db2.gz GXMHBFZLZZOMDH-UHFFFAOYSA-N 0 0 410.211 4.323 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000464721805 877951610 /nfs/dbraw/zinc/95/16/10/877951610.db2.gz ZRQAKKRTSHJCPG-UHFFFAOYSA-N 0 0 405.336 4.009 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000464723345 877952937 /nfs/dbraw/zinc/95/29/37/877952937.db2.gz MPAQSPNHGZFTGE-UHFFFAOYSA-N 0 0 416.231 4.426 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000464723832 877953339 /nfs/dbraw/zinc/95/33/39/877953339.db2.gz NYQHXMZVCDFADO-AWEZNQCLSA-N 0 0 401.488 4.165 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000464725811 877957718 /nfs/dbraw/zinc/95/77/18/877957718.db2.gz ZUHQQKPBRIZJOV-UHFFFAOYSA-N 0 0 424.478 4.383 20 5 HIBDRN O=[N+]([O-])c1ccc(OC2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000464776963 878019587 /nfs/dbraw/zinc/01/95/87/878019587.db2.gz LPOSNSWFLNRLMZ-UHFFFAOYSA-N 0 0 414.849 4.342 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464777538 878020638 /nfs/dbraw/zinc/02/06/38/878020638.db2.gz VFTBNHCESHDNPR-HOTGVXAUSA-N 0 0 401.894 4.085 20 5 HIBDRN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464784146 878029431 /nfs/dbraw/zinc/02/94/31/878029431.db2.gz VXLMPFKZAKXWQN-INIZCTEOSA-N 0 0 408.458 4.173 20 5 HIBDRN C[C@H](c1nc(Cc2ccccc2)no1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464784147 878030177 /nfs/dbraw/zinc/03/01/77/878030177.db2.gz VXLMPFKZAKXWQN-MRXNPFEDSA-N 0 0 408.458 4.173 20 5 HIBDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c2ccccc12 ZINC000464801571 878042503 /nfs/dbraw/zinc/04/25/03/878042503.db2.gz HOIQHUHEMQPVIH-UHFFFAOYSA-N 0 0 424.453 4.193 20 5 HIBDRN Cc1nc2sccn2c1CN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000464805958 878051685 /nfs/dbraw/zinc/05/16/85/878051685.db2.gz OLQLYBMXEOZATK-UHFFFAOYSA-N 0 0 413.484 4.008 20 5 HIBDRN CCOc1cccc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1OC(F)F ZINC000464814011 878066220 /nfs/dbraw/zinc/06/62/20/878066220.db2.gz QDEHMPPLFVLCSB-CYBMUJFWSA-N 0 0 423.416 4.464 20 5 HIBDRN C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](c2ccco2)C1 ZINC000464853069 878130795 /nfs/dbraw/zinc/13/07/95/878130795.db2.gz SDYKTZDTWFSBFY-WBMJQRKESA-N 0 0 422.279 4.362 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2nc3cc(F)ccc3o2)CC1 ZINC000464866452 878150865 /nfs/dbraw/zinc/15/08/65/878150865.db2.gz RGRMPVJYDWBFKH-UHFFFAOYSA-N 0 0 424.354 4.216 20 5 HIBDRN CCO[C@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCCC2 ZINC000464877517 878169018 /nfs/dbraw/zinc/16/90/18/878169018.db2.gz QRIRZBCFKISQGK-SJORKVTESA-N 0 0 401.488 4.186 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCCC2 ZINC000464877514 878169344 /nfs/dbraw/zinc/16/93/44/878169344.db2.gz QRIRZBCFKISQGK-DLBZAZTESA-N 0 0 401.488 4.186 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C12CCCC2 ZINC000464881461 878174836 /nfs/dbraw/zinc/17/48/36/878174836.db2.gz SQTWJSJMLMLFCO-HZPDHXFCSA-N 0 0 416.396 4.004 20 5 HIBDRN O=C(NCCCc1ccc(Cl)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000503353937 912328202 /nfs/dbraw/zinc/32/82/02/912328202.db2.gz CIOHTRBJLGHDDO-UHFFFAOYSA-N 0 0 401.894 4.214 20 5 HIBDRN C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-n2cccn2)cc1 ZINC000464988752 878340026 /nfs/dbraw/zinc/34/00/26/878340026.db2.gz WPEFCYNRSQMJLA-CQSZACIVSA-N 0 0 419.466 4.395 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cc1[N+](=O)[O-] ZINC000503362648 912339243 /nfs/dbraw/zinc/33/92/43/912339243.db2.gz GRMOIVVUCSABDH-UHFFFAOYSA-N 0 0 411.418 4.099 20 5 HIBDRN Cc1ccc(Oc2ccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cn2)cc1 ZINC000465028434 878391587 /nfs/dbraw/zinc/39/15/87/878391587.db2.gz GEPIGHBLTZUPNQ-UHFFFAOYSA-N 0 0 421.409 4.043 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(Oc2ccccc2)cc1 ZINC000465049415 878412401 /nfs/dbraw/zinc/41/24/01/878412401.db2.gz ODWKNQJZOHSQDR-UHFFFAOYSA-N 0 0 406.394 4.340 20 5 HIBDRN CC(C)[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)cc1 ZINC000465056754 878417681 /nfs/dbraw/zinc/41/76/81/878417681.db2.gz LRDMTNRZWZZFTP-HXUWFJFHSA-N 0 0 404.850 4.075 20 5 HIBDRN CCC(CC)[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccs1 ZINC000465073352 878432388 /nfs/dbraw/zinc/43/23/88/878432388.db2.gz VMPOLMJBSKXWPT-FQEVSTJZSA-N 0 0 404.488 4.264 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccccc1Oc1cccc(F)c1 ZINC000465077216 878436171 /nfs/dbraw/zinc/43/61/71/878436171.db2.gz GZTDSHNWMWPMBJ-UHFFFAOYSA-N 0 0 424.384 4.479 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000465133650 878514742 /nfs/dbraw/zinc/51/47/42/878514742.db2.gz XZQGWSPZADIQFQ-OAQYLSRUSA-N 0 0 416.861 4.220 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000465133649 878514855 /nfs/dbraw/zinc/51/48/55/878514855.db2.gz XZQGWSPZADIQFQ-NRFANRHFSA-N 0 0 416.861 4.220 20 5 HIBDRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000465152031 878532675 /nfs/dbraw/zinc/53/26/75/878532675.db2.gz CDNLIOXXEWXHDB-KSSFIOAISA-N 0 0 414.458 4.064 20 5 HIBDRN C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000465209083 878618458 /nfs/dbraw/zinc/61/84/58/878618458.db2.gz XGIONARMDGGPEN-AWEZNQCLSA-N 0 0 414.849 4.080 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)cc1SC ZINC000465209424 878620822 /nfs/dbraw/zinc/62/08/22/878620822.db2.gz YSOOMPVCPITGIO-ZDUSSCGKSA-N 0 0 412.471 4.002 20 5 HIBDRN CCCCCOc1cc(C)ccc1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000465301475 878745405 /nfs/dbraw/zinc/74/54/05/878745405.db2.gz BDQRLFSLDKMRRT-UHFFFAOYSA-N 0 0 413.474 4.036 20 5 HIBDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000465389035 878828934 /nfs/dbraw/zinc/82/89/34/878828934.db2.gz PYTBDRVTJRBHTP-PDWMJMLSSA-N 0 0 401.507 4.212 20 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ZINC000465647566 879167618 /nfs/dbraw/zinc/16/76/18/879167618.db2.gz AJLHDOPKPWGFBB-KRWDZBQOSA-N 0 0 422.485 4.380 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000465984916 879657134 /nfs/dbraw/zinc/65/71/34/879657134.db2.gz QGFNRLLAZRPUJA-XMSQKQJNSA-N 0 0 411.502 4.398 20 5 HIBDRN CO[C@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000465986798 879661225 /nfs/dbraw/zinc/66/12/25/879661225.db2.gz SLGWQFGYTFBFHQ-LJQANCHMSA-N 0 0 405.882 4.258 20 5 HIBDRN Cc1ccc([C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000503456982 912483334 /nfs/dbraw/zinc/48/33/34/912483334.db2.gz LMZKRBGENSRQPW-JOCHJYFZSA-N 0 0 410.495 4.155 20 5 HIBDRN CCOc1cc(C(=O)NCc2ccc(Oc3ccccc3)nc2)c([N+](=O)[O-])cc1OC ZINC000503460232 912488533 /nfs/dbraw/zinc/48/85/33/912488533.db2.gz FCPNSFVEONNEON-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000466147633 879854912 /nfs/dbraw/zinc/85/49/12/879854912.db2.gz 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O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000466270493 880005431 /nfs/dbraw/zinc/00/54/31/880005431.db2.gz LJPNGQCVXCZMON-LSDHHAIUSA-N 0 0 409.667 4.431 20 5 HIBDRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466285306 880027933 /nfs/dbraw/zinc/02/79/33/880027933.db2.gz CJBVFQGBVJLOAK-UHFFFAOYSA-N 0 0 413.648 4.062 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1(c2cccc(Cl)c2)CCOCC1 ZINC000466286882 880030215 /nfs/dbraw/zinc/03/02/15/880030215.db2.gz LBZSQNPLKIMJNR-UHFFFAOYSA-N 0 0 409.269 4.266 20 5 HIBDRN CN(C(=O)c1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1)c1ccccc1 ZINC000466294769 880041656 /nfs/dbraw/zinc/04/16/56/880041656.db2.gz CDYFZADAKPOPMX-UHFFFAOYSA-N 0 0 423.856 4.455 20 5 HIBDRN O=C(Cc1ccc(Br)c(F)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466296105 880043031 /nfs/dbraw/zinc/04/30/31/880043031.db2.gz HFLYYSPJAJHGHH-UHFFFAOYSA-N 0 0 401.619 4.009 20 5 HIBDRN Cc1sc2ncnc(SCC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)c2c1C ZINC000466300233 880048296 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4.255 20 5 HIBDRN O=C(Cc1csc2ccc(Cl)cc12)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000503490926 912537155 /nfs/dbraw/zinc/53/71/55/912537155.db2.gz WOVVVVDOVYHRRF-AWEZNQCLSA-N 0 0 416.890 4.113 20 5 HIBDRN O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466407338 880173097 /nfs/dbraw/zinc/17/30/97/880173097.db2.gz OOFMBFCMODJKPA-UHFFFAOYSA-N 0 0 413.384 4.110 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000466443570 880219769 /nfs/dbraw/zinc/21/97/69/880219769.db2.gz IWHWGBSCPGGABN-SECBINFHSA-N 0 0 405.773 4.320 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1c(F)cc(Br)cc1F ZINC000466503201 880278011 /nfs/dbraw/zinc/27/80/11/880278011.db2.gz BZBDJOFDRDLDKW-UHFFFAOYSA-N 0 0 401.163 4.287 20 5 HIBDRN O=C(NCc1csc(Br)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466580026 880353707 /nfs/dbraw/zinc/35/37/07/880353707.db2.gz WEHCYHDIFFOFQE-UHFFFAOYSA-N 0 0 404.673 4.072 20 5 HIBDRN Cc1c(C(=O)Nc2cc(Cl)c(Cl)cc2F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000466582101 880355386 /nfs/dbraw/zinc/35/53/86/880355386.db2.gz USMBYAPEYAVRFW-UHFFFAOYSA-N 0 0 410.192 4.182 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000466584235 880358275 /nfs/dbraw/zinc/35/82/75/880358275.db2.gz BNNGOEFAPWONPK-LPHOPBHVSA-N 0 0 403.866 4.215 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000503512745 912559441 /nfs/dbraw/zinc/55/94/41/912559441.db2.gz IUMZGTYGJFCIAW-UHFFFAOYSA-N 0 0 420.425 4.087 20 5 HIBDRN CC[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000466675994 880462571 /nfs/dbraw/zinc/46/25/71/880462571.db2.gz KGFIOCBFUKKCTE-NSHDSACASA-N 0 0 402.398 4.363 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000466685430 880474988 /nfs/dbraw/zinc/47/49/88/880474988.db2.gz XIMPATQXQDRLNS-KRWDZBQOSA-N 0 0 407.474 4.462 20 5 HIBDRN CN(CCCOCc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000466739908 880522899 /nfs/dbraw/zinc/52/28/99/880522899.db2.gz SUIANCDVLVGGDT-UHFFFAOYSA-N 0 0 411.483 4.397 20 5 HIBDRN CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000466746215 880528138 /nfs/dbraw/zinc/52/81/38/880528138.db2.gz PNOKKTXKHDYULY-UHFFFAOYSA-N 0 0 404.898 4.447 20 5 HIBDRN COCC[C@@H]1CCCCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000466838126 880606069 /nfs/dbraw/zinc/60/60/69/880606069.db2.gz YKSRMZNWEQATQK-ZDUSSCGKSA-N 0 0 420.453 4.371 20 5 HIBDRN COC[C@@H]1CCCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000466845522 880614267 /nfs/dbraw/zinc/61/42/67/880614267.db2.gz ZHRDXXMNZCWWNO-IAGOWNOFSA-N 0 0 412.490 4.052 20 5 HIBDRN COCc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000466848190 880618531 /nfs/dbraw/zinc/61/85/31/880618531.db2.gz XUPJGVUWHJNQEH-OAHLLOKOSA-N 0 0 409.236 4.074 20 5 HIBDRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)nn1C ZINC000466875853 880643133 /nfs/dbraw/zinc/64/31/33/880643133.db2.gz BHJUMOVJPKURLE-UHFFFAOYSA-N 0 0 402.863 4.694 20 5 HIBDRN C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)c2ccccc21 ZINC000503533816 912591532 /nfs/dbraw/zinc/59/15/32/912591532.db2.gz VFBYSDDSPRVRMX-GFCCVEGCSA-N 0 0 407.405 4.324 20 5 HIBDRN C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000466899819 880666167 /nfs/dbraw/zinc/66/61/67/880666167.db2.gz NBBAKNPJYJQVSO-AEFFLSMTSA-N 0 0 423.469 4.078 20 5 HIBDRN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466990815 880803478 /nfs/dbraw/zinc/80/34/78/880803478.db2.gz AFYXZCQUGISCCK-KRWDZBQOSA-N 0 0 409.820 4.093 20 5 HIBDRN Cc1ccc(-c2nc(CNc3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)co2)cc1 ZINC000467005778 880813607 /nfs/dbraw/zinc/81/36/07/880813607.db2.gz MCVXEHSNZGBBBA-UHFFFAOYSA-N 0 0 401.426 4.358 20 5 HIBDRN Cc1cc(N2CCSCC2)ccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467152541 880889714 /nfs/dbraw/zinc/88/97/14/880889714.db2.gz QIEWSGQLWPJBMJ-UHFFFAOYSA-N 0 0 420.922 4.432 20 5 HIBDRN O=C(NCCc1csc(-c2ccccc2)n1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467221201 880951614 /nfs/dbraw/zinc/95/16/14/880951614.db2.gz ZLHUUTNBWXZHHS-UHFFFAOYSA-N 0 0 416.890 4.414 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000467221081 880951686 /nfs/dbraw/zinc/95/16/86/880951686.db2.gz ZHELXGCMOMAOPF-KRWDZBQOSA-N 0 0 410.257 4.185 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000467227064 880956477 /nfs/dbraw/zinc/95/64/77/880956477.db2.gz DFOOVJBBJDPADL-IAGOWNOFSA-N 0 0 410.257 4.231 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000467228801 880957374 /nfs/dbraw/zinc/95/73/74/880957374.db2.gz ZPEMQSDMPBQEHY-NSHDSACASA-N 0 0 412.899 4.144 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000467229123 880957523 /nfs/dbraw/zinc/95/75/23/880957523.db2.gz JLVNTJQHTICFSE-AWEZNQCLSA-N 0 0 410.257 4.265 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000467229887 880958071 /nfs/dbraw/zinc/95/80/71/880958071.db2.gz 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CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000469093944 883183128 /nfs/dbraw/zinc/18/31/28/883183128.db2.gz RBSGIGBPRBDQCO-ZDUSSCGKSA-N 0 0 404.430 4.419 20 5 HIBDRN C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000469177916 883276336 /nfs/dbraw/zinc/27/63/36/883276336.db2.gz PHDHSPPDKOIKED-CQSZACIVSA-N 0 0 401.438 4.126 20 5 HIBDRN Cc1nc(COc2ccccc2C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000469239276 883338432 /nfs/dbraw/zinc/33/84/32/883338432.db2.gz POANBGWTYZQWNE-UHFFFAOYSA-N 0 0 420.450 4.739 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000469274005 883372353 /nfs/dbraw/zinc/37/23/53/883372353.db2.gz MJNYVNINWCUHRD-UHFFFAOYSA-N 0 0 414.849 4.349 20 5 HIBDRN CCCCCn1cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)n1 ZINC000503608250 912705393 /nfs/dbraw/zinc/70/53/93/912705393.db2.gz HXYFJJYLHRZQTI-UHFFFAOYSA-N 0 0 411.409 4.213 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000469339700 883454635 /nfs/dbraw/zinc/45/46/35/883454635.db2.gz KWUZUHDWFLVZRP-INIZCTEOSA-N 0 0 422.510 4.365 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469451951 883653234 /nfs/dbraw/zinc/65/32/34/883653234.db2.gz HYEWZDPHZDKNTC-NEPJUHHUSA-N 0 0 409.820 4.343 20 5 HIBDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 ZINC000469488414 883724156 /nfs/dbraw/zinc/72/41/56/883724156.db2.gz SFILDPOFPZHMJI-GDBMZVCRSA-N 0 0 417.535 4.209 20 5 HIBDRN CC(C)[C@H]1CCC[C@@H](NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000469499611 883742870 /nfs/dbraw/zinc/74/28/70/883742870.db2.gz MJGQSTUCTLISRI-JKSUJKDBSA-N 0 0 403.479 4.004 20 5 HIBDRN Cc1ccccc1[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000469528406 883800204 /nfs/dbraw/zinc/80/02/04/883800204.db2.gz CSRWOYLLEKCZSA-OAQYLSRUSA-N 0 0 423.469 4.074 20 5 HIBDRN Cc1ccccc1[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000469528405 883800384 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HIBDRN C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000470093464 884350106 /nfs/dbraw/zinc/35/01/06/884350106.db2.gz KTBYCCZQXCJQED-CQSZACIVSA-N 0 0 414.849 4.080 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)cc1SC ZINC000470094974 884353205 /nfs/dbraw/zinc/35/32/05/884353205.db2.gz BFEDNHAYHWCPIE-ZDUSSCGKSA-N 0 0 412.471 4.002 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)n2)cc1F ZINC000470128155 884390031 /nfs/dbraw/zinc/39/00/31/884390031.db2.gz JHUYHQWWDVTXIE-SNVBAGLBSA-N 0 0 403.345 4.114 20 5 HIBDRN COC(=O)[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000470137816 884402576 /nfs/dbraw/zinc/40/25/76/884402576.db2.gz MDGTWIZWYWLXMA-SFHVURJKSA-N 0 0 411.439 4.044 20 5 HIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000470139467 884406511 /nfs/dbraw/zinc/40/65/11/884406511.db2.gz CPXAJYHGRIVDFU-UHFFFAOYSA-N 0 0 409.421 4.375 20 5 HIBDRN O=C(NCc1nnc(-c2ccccc2)s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000470150945 884419977 /nfs/dbraw/zinc/41/99/77/884419977.db2.gz JLNGHKDLMDKYPE-UHFFFAOYSA-N 0 0 423.479 4.167 20 5 HIBDRN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470153083 884423688 /nfs/dbraw/zinc/42/36/88/884423688.db2.gz WOXZZOROZCHNRC-UHFFFAOYSA-N 0 0 407.829 4.257 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)CN(C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470170009 884448141 /nfs/dbraw/zinc/44/81/41/884448141.db2.gz NGMLLNNLDGKKEL-NTEUORMPSA-N 0 0 403.866 4.231 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000470177826 884460846 /nfs/dbraw/zinc/46/08/46/884460846.db2.gz UOYZYOZSJGWYJD-VKAVYKQESA-N 0 0 413.905 4.500 20 5 HIBDRN C[C@@H](Cc1ccccc1Br)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000470179574 884464375 /nfs/dbraw/zinc/46/43/75/884464375.db2.gz ZNINEBMRMNNXBL-ZDUSSCGKSA-N 0 0 418.291 4.056 20 5 HIBDRN COc1cc(C(=O)Nc2cnn(C3CCCC3)c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000470184062 884473440 /nfs/dbraw/zinc/47/34/40/884473440.db2.gz FHDNMESXJQYXDK-UHFFFAOYSA-N 0 0 410.377 4.077 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000470187098 884478886 /nfs/dbraw/zinc/47/88/86/884478886.db2.gz FHZLAJBDRZSRTM-MRXNPFEDSA-N 0 0 413.437 4.334 20 5 HIBDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000470191108 884491711 /nfs/dbraw/zinc/49/17/11/884491711.db2.gz SRPDUHIVQJDLNK-CYBMUJFWSA-N 0 0 400.385 4.168 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000470244974 884577352 /nfs/dbraw/zinc/57/73/52/884577352.db2.gz GYHUFQGZPXKTPK-CYBMUJFWSA-N 0 0 411.241 4.204 20 5 HIBDRN Cc1coc(-c2ccc(C)c(NC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)c2)n1 ZINC000470265817 884614630 /nfs/dbraw/zinc/61/46/30/884614630.db2.gz WQVVOCVDWRFLGD-UHFFFAOYSA-N 0 0 421.457 4.221 20 5 HIBDRN CCC1(CC)CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[S@]1=O ZINC000470593866 885014056 /nfs/dbraw/zinc/01/40/56/885014056.db2.gz BKNFYTMUJZSYLH-GDLZYMKVSA-N 0 0 416.499 4.150 20 5 HIBDRN Cc1nc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000470612820 885038570 /nfs/dbraw/zinc/03/85/70/885038570.db2.gz NZVKEOSNBRIMEU-UHFFFAOYSA-N 0 0 414.849 4.254 20 5 HIBDRN Cc1ccc(-c2cnc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)s2)c(C)c1 ZINC000470634470 885061172 /nfs/dbraw/zinc/06/11/72/885061172.db2.gz QZAUWZMXZNTLFL-AWEZNQCLSA-N 0 0 424.482 4.092 20 5 HIBDRN CN(C)C(=O)c1ccnc(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 ZINC000470652801 885074609 /nfs/dbraw/zinc/07/46/09/885074609.db2.gz PUJJFCHXKGPMAB-UHFFFAOYSA-N 0 0 410.405 4.235 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000470674378 885104180 /nfs/dbraw/zinc/10/41/80/885104180.db2.gz UPZSOFPTHFXIPD-MDZRGWNJSA-N 0 0 403.523 4.012 20 5 HIBDRN CO[C@]1(C)CCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000470706291 885145674 /nfs/dbraw/zinc/14/56/74/885145674.db2.gz DWLOONQSFKRXDT-GOSISDBHSA-N 0 0 407.517 4.152 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@](C)(OC)C2)cc1 ZINC000470709284 885147381 /nfs/dbraw/zinc/14/73/81/885147381.db2.gz GWJMSQZCIXSPKZ-OAQYLSRUSA-N 0 0 400.431 4.037 20 5 HIBDRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000470715300 885156648 /nfs/dbraw/zinc/15/66/48/885156648.db2.gz DJNGYDVLHZWGTH-UHFFFAOYSA-N 0 0 400.378 4.244 20 5 HIBDRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000470717736 885158065 /nfs/dbraw/zinc/15/80/65/885158065.db2.gz VOGJAZCBJAUHNM-UHFFFAOYSA-N 0 0 423.391 4.366 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](c2ccsc2)O1 ZINC000470760684 885227107 /nfs/dbraw/zinc/22/71/07/885227107.db2.gz RRJLSXLNSIMDLG-BMIGLBTASA-N 0 0 411.277 4.021 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470821104 885309305 /nfs/dbraw/zinc/30/93/05/885309305.db2.gz MELYQXWIXHDUJX-SNVBAGLBSA-N 0 0 418.247 4.338 20 5 HIBDRN Cc1ccc(-n2c(Sc3cc(C)c([N+](=O)[O-])cn3)nnc2N2CCCCC2)cc1 ZINC000470856749 885352377 /nfs/dbraw/zinc/35/23/77/885352377.db2.gz HIXVUJCYDNXMRR-UHFFFAOYSA-N 0 0 410.503 4.329 20 5 HIBDRN Cc1cc(N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)ncc1[N+](=O)[O-] ZINC000470864709 885353628 /nfs/dbraw/zinc/35/36/28/885353628.db2.gz BVJSZFMPPRONOV-HXUWFJFHSA-N 0 0 415.446 4.042 20 5 HIBDRN COc1cccc(-c2nnc(Sc3cc(C)c([N+](=O)[O-])cn3)n2Cc2ccco2)c1 ZINC000470868354 885356270 /nfs/dbraw/zinc/35/62/70/885356270.db2.gz KJJZVAMUDYJNGM-UHFFFAOYSA-N 0 0 423.454 4.358 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl ZINC000470883561 885378021 /nfs/dbraw/zinc/37/80/21/885378021.db2.gz PUBVTMKIKSEUBF-UHFFFAOYSA-N 0 0 419.865 4.380 20 5 HIBDRN CCCOc1cc(F)ccc1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000470887701 885381817 /nfs/dbraw/zinc/38/18/17/885381817.db2.gz FTEIABIBDONDJV-UHFFFAOYSA-N 0 0 408.451 4.403 20 5 HIBDRN C[C@@H](C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000470916638 885424459 /nfs/dbraw/zinc/42/44/59/885424459.db2.gz KFJAGHBPUOLWGW-CQSZACIVSA-N 0 0 403.398 4.178 20 5 HIBDRN COc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1[N+](=O)[O-] ZINC000470945202 885443599 /nfs/dbraw/zinc/44/35/99/885443599.db2.gz MBTCWEAWOFSHJB-SFHVURJKSA-N 0 0 406.442 4.361 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000471041048 885550939 /nfs/dbraw/zinc/55/09/39/885550939.db2.gz NEHKPHFCHDGACL-UHFFFAOYSA-N 0 0 409.236 4.407 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000471045968 885556672 /nfs/dbraw/zinc/55/66/72/885556672.db2.gz AGTSWWNLNVNKMQ-CQSZACIVSA-N 0 0 415.515 4.349 20 5 HIBDRN C[C@@]1(O)CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000471074076 885594580 /nfs/dbraw/zinc/59/45/80/885594580.db2.gz ZVNFMCFNHBDCTJ-TZIWHRDSSA-N 0 0 417.893 4.165 20 5 HIBDRN COCCN(C(=O)c1cccc(C)c1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000471084508 885611152 /nfs/dbraw/zinc/61/11/52/885611152.db2.gz AZAOABOHQANEDH-UHFFFAOYSA-N 0 0 415.446 4.459 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000471084292 885611289 /nfs/dbraw/zinc/61/12/89/885611289.db2.gz FINYPYVCDUAVLH-UHFFFAOYSA-N 0 0 404.382 4.449 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000471103904 885637229 /nfs/dbraw/zinc/63/72/29/885637229.db2.gz KQSYINMNBCOBPI-GFCCVEGCSA-N 0 0 424.284 4.309 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Br)cc2nc(C)oc21 ZINC000471157433 885708993 /nfs/dbraw/zinc/70/89/93/885708993.db2.gz QQTLCSQDPQMFAB-UHFFFAOYSA-N 0 0 420.219 4.458 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000504069920 912970407 /nfs/dbraw/zinc/97/04/07/912970407.db2.gz JHDYNZWVNOXDSI-UHFFFAOYSA-N 0 0 413.499 4.472 20 5 HIBDRN Cc1c2ccccc2n(C)c1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000471242106 885818450 /nfs/dbraw/zinc/81/84/50/885818450.db2.gz ICZZDFNENKNQLL-UHFFFAOYSA-N 0 0 408.277 4.149 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471244970 885821533 /nfs/dbraw/zinc/82/15/33/885821533.db2.gz SFPOVJJJQVGGNA-UHFFFAOYSA-N 0 0 413.499 4.063 20 5 HIBDRN Cc1ccccc1Cc1nnc(COc2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000471251794 885829535 /nfs/dbraw/zinc/82/95/35/885829535.db2.gz SJXXFTVTADTIRW-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN O=C(COc1c(Cl)cccc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000471284994 885868317 /nfs/dbraw/zinc/86/83/17/885868317.db2.gz BVEXRJLNIQCRMS-HNNXBMFYSA-N 0 0 415.789 4.191 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NCCCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000471288595 885872787 /nfs/dbraw/zinc/87/27/87/885872787.db2.gz RRENJYFIQGUGRZ-UHFFFAOYSA-N 0 0 423.311 4.062 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)COc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000471289092 885874064 /nfs/dbraw/zinc/87/40/64/885874064.db2.gz VCVUREOOLIJIRY-KRWDZBQOSA-N 0 0 404.850 4.389 20 5 HIBDRN COCCC[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000471313263 885903173 /nfs/dbraw/zinc/90/31/73/885903173.db2.gz GHHLZKMVIBHLQC-MRXNPFEDSA-N 0 0 421.291 4.125 20 5 HIBDRN O=C(C[C@@H]1CCCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000471339956 885946068 /nfs/dbraw/zinc/94/60/68/885946068.db2.gz HQOATMSAGSFROU-SFHVURJKSA-N 0 0 422.441 4.031 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1[N+](=O)[O-] ZINC000471349663 885963050 /nfs/dbraw/zinc/96/30/50/885963050.db2.gz HBNQFASNGBSOMS-UHFFFAOYSA-N 0 0 411.845 4.273 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000471374908 886015511 /nfs/dbraw/zinc/01/55/11/886015511.db2.gz AHLFHLCWFFONQM-UHFFFAOYSA-N 0 0 413.434 4.151 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000471431334 886088627 /nfs/dbraw/zinc/08/86/27/886088627.db2.gz BIQOJDCSWJDDFL-UHFFFAOYSA-N 0 0 406.442 4.151 20 5 HIBDRN Cc1c(CC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000471444850 886112151 /nfs/dbraw/zinc/11/21/51/886112151.db2.gz SRVRXLAXPDZRRE-XJKSGUPXSA-N 0 0 407.239 4.020 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)cc1[N+](=O)[O-] ZINC000471449540 886121897 /nfs/dbraw/zinc/12/18/97/886121897.db2.gz FNFNJLCNUJLZQF-UHFFFAOYSA-N 0 0 406.442 4.394 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000471458344 886136040 /nfs/dbraw/zinc/13/60/40/886136040.db2.gz LBFBUSQCGUASPY-APWZRJJASA-N 0 0 414.527 4.316 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1SC ZINC000471466661 886154602 /nfs/dbraw/zinc/15/46/02/886154602.db2.gz XMVQNUVWQHXPQA-GOEBONIOSA-N 0 0 400.500 4.419 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CNc3ccc(F)cc3OCC(F)(F)F)n2)cc1 ZINC000504105023 913014661 /nfs/dbraw/zinc/01/46/61/913014661.db2.gz SNKWHTOUUSLBEQ-UHFFFAOYSA-N 0 0 412.299 4.337 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccc4ncccc4c3)cc2[N+](=O)[O-])C1 ZINC000471501726 886203586 /nfs/dbraw/zinc/20/35/86/886203586.db2.gz WCSIFZFTALJUDN-MRXNPFEDSA-N 0 0 404.470 4.309 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000471504634 886206375 /nfs/dbraw/zinc/20/63/75/886206375.db2.gz USAKIAHLJUHVJP-GDBMZVCRSA-N 0 0 402.422 4.207 20 5 HIBDRN COc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc(-n2cccn2)c1 ZINC000471523983 886226106 /nfs/dbraw/zinc/22/61/06/886226106.db2.gz VGOFZMLDUYWOLS-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)OC(C)C ZINC000471532856 886237366 /nfs/dbraw/zinc/23/73/66/886237366.db2.gz PJSPLLADQNFSMZ-FQEVSTJZSA-N 0 0 409.442 4.048 20 5 HIBDRN O=C(NCC1(CCOCc2ccccc2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000471542951 886249934 /nfs/dbraw/zinc/24/99/34/886249934.db2.gz PGGWIOJPUACOAV-UHFFFAOYSA-N 0 0 423.513 4.312 20 5 HIBDRN COC(=O)c1sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)nc1C(C)(C)C ZINC000471546244 886253648 /nfs/dbraw/zinc/25/36/48/886253648.db2.gz IZTRSSMWYOOBCR-UHFFFAOYSA-N 0 0 403.416 4.134 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(CCOCc3ccccc3)CC2)c1 ZINC000471563321 886271804 /nfs/dbraw/zinc/27/18/04/886271804.db2.gz OZRQZKDBGRQLGL-UHFFFAOYSA-N 0 0 400.500 4.434 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])OC(C)C ZINC000471574321 886286481 /nfs/dbraw/zinc/28/64/81/886286481.db2.gz NALCQFZENWTXNZ-LJQANCHMSA-N 0 0 404.488 4.221 20 5 HIBDRN CCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1[N+](=O)[O-] ZINC000471631227 886349851 /nfs/dbraw/zinc/34/98/51/886349851.db2.gz GGNDILRCMKNRLT-UHFFFAOYSA-N 0 0 422.466 4.418 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)c([N+](=O)[O-])cc1OC ZINC000471645740 886361134 /nfs/dbraw/zinc/36/11/34/886361134.db2.gz SBPRRVCYIRXWPF-UHFFFAOYSA-N 0 0 424.413 4.100 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)cc1C ZINC000471669177 886380884 /nfs/dbraw/zinc/38/08/84/886380884.db2.gz OQDCHZDKHSBETH-LBPRGKRZSA-N 0 0 406.822 4.058 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC000471671929 886383106 /nfs/dbraw/zinc/38/31/06/886383106.db2.gz RBCBQOUXFRKWEN-LBPRGKRZSA-N 0 0 419.840 4.005 20 5 HIBDRN CC(C)n1nc2c(c1NC(=O)Cn1c3ccccc3c(=O)c3ccccc31)CCC2 ZINC000471672926 886383968 /nfs/dbraw/zinc/38/39/68/886383968.db2.gz AESARHYDQVOFNU-UHFFFAOYSA-N 0 0 400.482 4.060 20 5 HIBDRN CO[C@@H](C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C(C)C ZINC000471814710 886557877 /nfs/dbraw/zinc/55/78/77/886557877.db2.gz FCUGYWCAGQDBBQ-GOSISDBHSA-N 0 0 410.829 4.467 20 5 HIBDRN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000471838724 886596623 /nfs/dbraw/zinc/59/66/23/886596623.db2.gz VVIJRQOXHSVEMJ-HNNXBMFYSA-N 0 0 406.442 4.285 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000471859895 886633593 /nfs/dbraw/zinc/63/35/93/886633593.db2.gz CTLVOKJMRPKGOR-UHFFFAOYSA-N 0 0 417.263 4.284 20 5 HIBDRN CCCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H](C)CC(=O)Nc1ccccc1 ZINC000504197749 913081262 /nfs/dbraw/zinc/08/12/62/913081262.db2.gz YZIJLQMEKIUTPB-OAHLLOKOSA-N 0 0 408.458 4.346 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000471989191 886815270 /nfs/dbraw/zinc/81/52/70/886815270.db2.gz RVUDWSMHTJYJCZ-APWZRJJASA-N 0 0 404.417 4.057 20 5 HIBDRN Cn1c2ccccc2nc1C(C)(C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000472010805 886833269 /nfs/dbraw/zinc/83/32/69/886833269.db2.gz RZPRGNJMJCTUJO-UHFFFAOYSA-N 0 0 406.364 4.165 20 5 HIBDRN Cc1nn(C)c(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)c1[N+](=O)[O-] ZINC000504215247 913091099 /nfs/dbraw/zinc/09/10/99/913091099.db2.gz GYLRACLOMZAIQA-UHFFFAOYSA-N 0 0 411.289 4.185 20 5 HIBDRN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cc2ccccc2c2cccnc12 ZINC000472130150 886921067 /nfs/dbraw/zinc/92/10/67/886921067.db2.gz KKXMMUWOFQUSHJ-LJQANCHMSA-N 0 0 401.510 4.299 20 5 HIBDRN C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000472158862 886957539 /nfs/dbraw/zinc/95/75/39/886957539.db2.gz QUCNKEOGPGPXPH-AAEUAGOBSA-N 0 0 409.273 4.113 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1-c1ccc(Cl)cc1Cl ZINC000472190954 886990311 /nfs/dbraw/zinc/99/03/11/886990311.db2.gz CEBCYHWWDVRYHH-UHFFFAOYSA-N 0 0 405.241 4.082 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2c[nH]c3ncc(Br)cc23)cc1[N+](=O)[O-] ZINC000472240756 887048866 /nfs/dbraw/zinc/04/88/66/887048866.db2.gz KXCWTOYCBHTYKJ-SNVBAGLBSA-N 0 0 403.236 4.033 20 5 HIBDRN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1cc2ccccc2o1 ZINC000472273687 887088152 /nfs/dbraw/zinc/08/81/52/887088152.db2.gz GNGPYQALUGYBDH-UHFFFAOYSA-N 0 0 418.247 4.174 20 5 HIBDRN COCCOc1ccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c(Cl)c1 ZINC000472333620 887168478 /nfs/dbraw/zinc/16/84/78/887168478.db2.gz DRLRKCDSJZAFCG-UHFFFAOYSA-N 0 0 401.806 4.074 20 5 HIBDRN COc1ccc2cc(CNc3cc(CN4CCOCC4)ccc3[N+](=O)[O-])ccc2c1 ZINC000472338154 887172923 /nfs/dbraw/zinc/17/29/23/887172923.db2.gz JGNGZDFZUPTBRH-UHFFFAOYSA-N 0 0 407.470 4.201 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC000472375016 887214173 /nfs/dbraw/zinc/21/41/73/887214173.db2.gz RPLQYLPGLSIOQH-ZDUSSCGKSA-N 0 0 412.421 4.247 20 5 HIBDRN Cc1cc(-c2noc([C@@H](C)NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)n2)ccc1F ZINC000472383462 887227283 /nfs/dbraw/zinc/22/72/83/887227283.db2.gz FROWOAZPLLSOTE-SNVBAGLBSA-N 0 0 404.785 4.237 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000472391460 887237063 /nfs/dbraw/zinc/23/70/63/887237063.db2.gz WEFWPGOMEZJSHN-CYBMUJFWSA-N 0 0 412.471 4.177 20 5 HIBDRN Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c([N+](=O)[O-])c1 ZINC000504270346 913129528 /nfs/dbraw/zinc/12/95/28/913129528.db2.gz GIGJZVVGWCPPTI-UHFFFAOYSA-N 0 0 411.439 4.235 20 5 HIBDRN CCOc1cc(C(=O)N(Cc2ccccc2)C(C)(C)COC)c([N+](=O)[O-])cc1OC ZINC000472474238 887335686 /nfs/dbraw/zinc/33/56/86/887335686.db2.gz INSCMEDBBCYNGA-UHFFFAOYSA-N 0 0 416.474 4.070 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2cccn2C)cc1[N+](=O)[O-] ZINC000472541421 887418990 /nfs/dbraw/zinc/41/89/90/887418990.db2.gz OKYQFOKVCMRBMS-UHFFFAOYSA-N 0 0 423.494 4.158 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000472545676 887425604 /nfs/dbraw/zinc/42/56/04/887425604.db2.gz HCAYXIDRQJDUHM-LBPRGKRZSA-N 0 0 416.434 4.062 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000472603975 887474614 /nfs/dbraw/zinc/47/46/14/887474614.db2.gz FGRKWBTXIUQLNI-SFHVURJKSA-N 0 0 419.840 4.374 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)C2)c1 ZINC000504300113 913151420 /nfs/dbraw/zinc/15/14/20/913151420.db2.gz UICCHBKPTHYGHE-MSOLQXFVSA-N 0 0 421.497 4.042 20 5 HIBDRN O=C(Nc1ccc(CCCc2ccccc2)cc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472717256 887565485 /nfs/dbraw/zinc/56/54/85/887565485.db2.gz SBVACDLOEWPGQN-UHFFFAOYSA-N 0 0 421.428 4.486 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC(C)C ZINC000472770242 887616822 /nfs/dbraw/zinc/61/68/22/887616822.db2.gz LLMUFSKMGSBXRI-HRAATJIYSA-N 0 0 415.490 4.438 20 5 HIBDRN CC(=O)c1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c(F)c1 ZINC000472782535 887628675 /nfs/dbraw/zinc/62/86/75/887628675.db2.gz CEDMKGZCBOMMEL-UHFFFAOYSA-N 0 0 420.194 4.340 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])OC(C)C ZINC000472797937 887642528 /nfs/dbraw/zinc/64/25/28/887642528.db2.gz ZVNZLKMEEMYXJZ-FOIQADDNSA-N 0 0 401.463 4.130 20 5 HIBDRN Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000472828450 887675965 /nfs/dbraw/zinc/67/59/65/887675965.db2.gz GMOFBOJMUNUFNA-MRXNPFEDSA-N 0 0 416.441 4.147 20 5 HIBDRN COC(=O)c1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)cc1C ZINC000472831483 887680224 /nfs/dbraw/zinc/68/02/24/887680224.db2.gz LPVSKOPYPZDXQK-UHFFFAOYSA-N 0 0 414.461 4.197 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000504347139 913181450 /nfs/dbraw/zinc/18/14/50/913181450.db2.gz HBQDNKIIPRIHNL-CQSZACIVSA-N 0 0 418.478 4.491 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000504347138 913182055 /nfs/dbraw/zinc/18/20/55/913182055.db2.gz HBQDNKIIPRIHNL-AWEZNQCLSA-N 0 0 418.478 4.491 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000504345173 913182211 /nfs/dbraw/zinc/18/22/11/913182211.db2.gz ZPFRNDQQFCQPAT-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)nn1CCCOc1ccc(F)cc1 ZINC000504348145 913183822 /nfs/dbraw/zinc/18/38/22/913183822.db2.gz ZDUZZWDSVCILEF-UHFFFAOYSA-N 0 0 412.421 4.269 20 5 HIBDRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)nn1CCCOc1ccc(F)cc1 ZINC000504359348 913192652 /nfs/dbraw/zinc/19/26/52/913192652.db2.gz MNSJTSCFAYYMLL-UHFFFAOYSA-N 0 0 404.423 4.022 20 5 HIBDRN CC(C)Sc1ccccc1NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000473211540 887986550 /nfs/dbraw/zinc/98/65/50/887986550.db2.gz BTAJSIZQKVTAFS-UHFFFAOYSA-N 0 0 415.515 4.173 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000473249763 888015588 /nfs/dbraw/zinc/01/55/88/888015588.db2.gz NDKSALIBHLYPFA-UHFFFAOYSA-N 0 0 401.316 4.359 20 5 HIBDRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000473265302 888026587 /nfs/dbraw/zinc/02/65/87/888026587.db2.gz WEIJTLXHWVXHOF-TZIWHRDSSA-N 0 0 424.840 4.429 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000504381908 913206432 /nfs/dbraw/zinc/20/64/32/913206432.db2.gz PDICTFQCFDFBDC-LLVKDONJSA-N 0 0 409.423 4.038 20 5 HIBDRN COC(=O)COc1ccc(CNc2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-] ZINC000473478978 888201632 /nfs/dbraw/zinc/20/16/32/888201632.db2.gz AFNHEEUXPDVKLY-UHFFFAOYSA-N 0 0 407.835 4.022 20 5 HIBDRN Cc1cc(NCc2ncn(Cc3cccc(F)c3)n2)c(Br)cc1[N+](=O)[O-] ZINC000473505647 888234122 /nfs/dbraw/zinc/23/41/22/888234122.db2.gz GBOZJZBSAYTPMY-UHFFFAOYSA-N 0 0 420.242 4.057 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)cc1 ZINC000473520019 888253144 /nfs/dbraw/zinc/25/31/44/888253144.db2.gz HSMGLMDMGXWMGA-QGZVFWFLSA-N 0 0 419.485 4.490 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473524592 888260787 /nfs/dbraw/zinc/26/07/87/888260787.db2.gz UZLZMLPSNKNRQU-HNNXBMFYSA-N 0 0 424.423 4.160 20 5 HIBDRN O=C(NCc1ccco1)c1cccc(CNc2nc3ccccc3cc2[N+](=O)[O-])c1 ZINC000473536005 888272539 /nfs/dbraw/zinc/27/25/39/888272539.db2.gz URLXXCQJLZSWIP-UHFFFAOYSA-N 0 0 402.410 4.278 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000473534716 888273373 /nfs/dbraw/zinc/27/33/73/888273373.db2.gz QLURNVZZGNSPAZ-UHFFFAOYSA-N 0 0 407.426 4.032 20 5 HIBDRN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473536702 888274133 /nfs/dbraw/zinc/27/41/33/888274133.db2.gz XAJLLUUOMCHICK-AWEZNQCLSA-N 0 0 411.849 4.047 20 5 HIBDRN CC(C)c1ccc(C(=O)N(C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000473845517 888691221 /nfs/dbraw/zinc/69/12/21/888691221.db2.gz VDQKUFFQHAMZSR-OAQYLSRUSA-N 0 0 410.449 4.452 20 5 HIBDRN O=C1[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCN1c1ccc(Cl)cc1Cl ZINC000473914510 888794739 /nfs/dbraw/zinc/79/47/39/888794739.db2.gz WVUFOMLQFAKUNY-GFCCVEGCSA-N 0 0 401.637 4.167 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1cc3cc([N+](=O)[O-])ccc3o1)O[C@H](C)C2 ZINC000504494405 913283485 /nfs/dbraw/zinc/28/34/85/913283485.db2.gz DCNCOEDFJWESNF-PUECVXPYSA-N 0 0 422.437 4.349 20 5 HIBDRN CC(C)(C)N(Cc1cccc(F)c1)C(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000504510820 913300533 /nfs/dbraw/zinc/30/05/33/913300533.db2.gz ZYGWAFQQHHNKNB-UHFFFAOYSA-N 0 0 410.449 4.425 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000474306685 889172905 /nfs/dbraw/zinc/17/29/05/889172905.db2.gz CLTSJICZYAOQGT-AWEZNQCLSA-N 0 0 421.862 4.305 20 5 HIBDRN COc1ccc([C@H]2C[C@H](N[C@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000504561048 913333673 /nfs/dbraw/zinc/33/36/73/913333673.db2.gz NEPRLLIIFVAYLS-FIKGOQFSSA-N 0 0 410.449 4.101 20 5 HIBDRN CCOc1cc(C(=O)Nc2nnc(CC3CCCCC3)s2)c([N+](=O)[O-])cc1OC ZINC000504566504 913337219 /nfs/dbraw/zinc/33/72/19/913337219.db2.gz SQBKRAMUXAEVBG-UHFFFAOYSA-N 0 0 420.491 4.229 20 5 HIBDRN CC[C@@H](NC(=O)N[C@H](CO)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000474501319 889363599 /nfs/dbraw/zinc/36/35/99/889363599.db2.gz OCFAYOSAINUDNR-HZPDHXFCSA-N 0 0 412.273 4.386 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000474519490 889388057 /nfs/dbraw/zinc/38/80/57/889388057.db2.gz XDOQTKSHDNHKFL-OAHLLOKOSA-N 0 0 409.446 4.326 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000474709448 889568100 /nfs/dbraw/zinc/56/81/00/889568100.db2.gz GWNIAXLXHMRHIV-ZMBJWTFHSA-N 0 0 414.433 4.336 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C ZINC000474709882 889568347 /nfs/dbraw/zinc/56/83/47/889568347.db2.gz FOFLVRGPXNIECI-LIRRHRJNSA-N 0 0 413.430 4.050 20 5 HIBDRN CS(=O)(=O)c1ccc(NCCCOc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000474780250 889638372 /nfs/dbraw/zinc/63/83/72/889638372.db2.gz KKODLTSPNGQGKL-UHFFFAOYSA-N 0 0 400.456 4.033 20 5 HIBDRN Cc1ncoc1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000474805737 889658893 /nfs/dbraw/zinc/65/88/93/889658893.db2.gz DKDVUYYSHIUDON-UHFFFAOYSA-N 0 0 405.769 4.406 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474838814 889697129 /nfs/dbraw/zinc/69/71/29/889697129.db2.gz ISHJGSISGSRKSB-HNNXBMFYSA-N 0 0 423.256 4.137 20 5 HIBDRN CC(C)(NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1cccc(Cl)c1F ZINC000474841850 889700363 /nfs/dbraw/zinc/70/03/63/889700363.db2.gz LETDVXBULOKSKT-UHFFFAOYSA-N 0 0 417.824 4.366 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1ncnn1C ZINC000474861886 889717132 /nfs/dbraw/zinc/71/71/32/889717132.db2.gz RHXVXJORQFUMEY-LLVKDONJSA-N 0 0 417.878 4.019 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1ncnn1C ZINC000474861889 889717307 /nfs/dbraw/zinc/71/73/07/889717307.db2.gz RHXVXJORQFUMEY-NSHDSACASA-N 0 0 417.878 4.019 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474872113 889726451 /nfs/dbraw/zinc/72/64/51/889726451.db2.gz ILKAPNHQBBRSJQ-SFHVURJKSA-N 0 0 423.391 4.016 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 ZINC000474925299 889784079 /nfs/dbraw/zinc/78/40/79/889784079.db2.gz DIJWPVPIJUKKKG-UHFFFAOYSA-N 0 0 415.496 4.170 20 5 HIBDRN CCOC1CC(CCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000474934828 889793018 /nfs/dbraw/zinc/79/30/18/889793018.db2.gz QJSJOTIQVISTTF-KLHKWILBSA-N 0 0 412.490 4.098 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(F)c(Br)cc1Cl ZINC000475020371 889872931 /nfs/dbraw/zinc/87/29/31/889872931.db2.gz RQTPGEATKYIFDG-UHFFFAOYSA-N 0 0 417.618 4.088 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1C(F)(F)F ZINC000475058209 889902727 /nfs/dbraw/zinc/90/27/27/889902727.db2.gz QSGCTLURMOFAAB-UHFFFAOYSA-N 0 0 419.153 4.394 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c1 ZINC000475095875 889942514 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4.437 20 5 HIBDRN CC[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475616751 890548836 /nfs/dbraw/zinc/54/88/36/890548836.db2.gz HMUFDXBOYHTKCB-GCJKJVERSA-N 0 0 416.449 4.296 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000475641157 890582653 /nfs/dbraw/zinc/58/26/53/890582653.db2.gz SNOBEZKQTXRGAI-CQSZACIVSA-N 0 0 411.462 4.378 20 5 HIBDRN COc1c(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)cccc1[N+](=O)[O-] ZINC000475651263 890595525 /nfs/dbraw/zinc/59/55/25/890595525.db2.gz ZVLMMJBRVOLWBR-UHFFFAOYSA-N 0 0 418.409 4.082 20 5 HIBDRN CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000475658352 890604797 /nfs/dbraw/zinc/60/47/97/890604797.db2.gz BNURRBSUEJGHKJ-UHFFFAOYSA-N 0 0 412.418 4.195 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cc3cccc(F)c3o2)cc1OC ZINC000475760405 890706683 /nfs/dbraw/zinc/70/66/83/890706683.db2.gz OCWJFDBLZFDHRN-LLVKDONJSA-N 0 0 402.378 4.378 20 5 HIBDRN Cc1nc(-c2ccccc2NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000475825434 890759415 /nfs/dbraw/zinc/75/94/15/890759415.db2.gz GYKOMEYWDQDEGQ-UHFFFAOYSA-N 0 0 403.485 4.011 20 5 HIBDRN COc1cc(OCc2csc(N(C(C)=O)c3ccccc3F)n2)ccc1[N+](=O)[O-] ZINC000475877852 890813300 /nfs/dbraw/zinc/81/33/00/890813300.db2.gz BNDCCFCQQLTUIH-UHFFFAOYSA-N 0 0 417.418 4.463 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1 ZINC000475880216 890814017 /nfs/dbraw/zinc/81/40/17/890814017.db2.gz JXWPTQPYIOOSBG-KRWDZBQOSA-N 0 0 410.854 4.323 20 5 HIBDRN COc1cc(C(=O)N(Cc2cccc(Br)c2)CC2CC2)ccc1[N+](=O)[O-] ZINC000475881051 890815588 /nfs/dbraw/zinc/81/55/88/890815588.db2.gz MAOXNDAJHCPTJU-UHFFFAOYSA-N 0 0 419.275 4.418 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000475888721 890821947 /nfs/dbraw/zinc/82/19/47/890821947.db2.gz NOKNFYXYPHXXFN-RDBSUJKOSA-N 0 0 419.503 4.146 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000475896360 890827756 /nfs/dbraw/zinc/82/77/56/890827756.db2.gz GAOHEASYRUZTDN-UHFFFAOYSA-N 0 0 403.316 4.201 20 5 HIBDRN COc1c(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cccc1[N+](=O)[O-] ZINC000475930422 890855523 /nfs/dbraw/zinc/85/55/23/890855523.db2.gz JSXBMHBAGDITLA-UHFFFAOYSA-N 0 0 403.504 4.377 20 5 HIBDRN O=C(NC[C@H](CCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000476085999 891009596 /nfs/dbraw/zinc/00/95/96/891009596.db2.gz UIWLMALTQBSZQZ-SFHVURJKSA-N 0 0 406.438 4.283 20 5 HIBDRN Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000476095528 891017814 /nfs/dbraw/zinc/01/78/14/891017814.db2.gz HDXCNGBEAVQXOJ-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN C[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2cccc(Cl)c2O1 ZINC000476108152 891028758 /nfs/dbraw/zinc/02/87/58/891028758.db2.gz GEDLHAMTOOBBJJ-AWEZNQCLSA-N 0 0 415.877 4.279 20 5 HIBDRN CCOc1c(Br)cc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000504801828 913526176 /nfs/dbraw/zinc/52/61/76/913526176.db2.gz PLKCLVVFNHOUBY-UHFFFAOYSA-N 0 0 402.632 4.000 20 5 HIBDRN COc1ccc(F)cc1-c1csc(NC(=O)c2cccc([N+](=O)[O-])c2OC)n1 ZINC000476342307 891247889 /nfs/dbraw/zinc/24/78/89/891247889.db2.gz USZQFJMYZMKQOC-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN COc1c(C(=O)Nc2cc(Br)ccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000476354408 891259909 /nfs/dbraw/zinc/25/99/09/891259909.db2.gz VTJZYQOSESQBSW-UHFFFAOYSA-N 0 0 420.263 4.218 20 5 HIBDRN CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476388887 891304242 /nfs/dbraw/zinc/30/42/42/891304242.db2.gz WISRJUQIDSLFRA-UHFFFAOYSA-N 0 0 402.451 4.247 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000504825700 913544490 /nfs/dbraw/zinc/54/44/90/913544490.db2.gz QMMYIEHDTCFKRV-ZDUSSCGKSA-N 0 0 422.235 4.011 20 5 HIBDRN COc1c(C(=O)Nc2cc(Br)ccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000476441970 891354722 /nfs/dbraw/zinc/35/47/22/891354722.db2.gz HPTIAPMEGROPRJ-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1cc2cccc(F)c2o1 ZINC000476525931 891437789 /nfs/dbraw/zinc/43/77/89/891437789.db2.gz QQJMVEKHJUPPRV-LBPRGKRZSA-N 0 0 409.373 4.285 20 5 HIBDRN CCCN([C@H]1CCCc2cccnc21)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000476637294 891575325 /nfs/dbraw/zinc/57/53/25/891575325.db2.gz WSYNNBDJJHFMHN-KRWDZBQOSA-N 0 0 403.504 4.085 20 5 HIBDRN C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000504855635 913583366 /nfs/dbraw/zinc/58/33/66/913583366.db2.gz CJEFMGHCMHITND-WMLDXEAASA-N 0 0 417.893 4.236 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@@H]1C ZINC000476783365 891764176 /nfs/dbraw/zinc/76/41/76/891764176.db2.gz XZJUAZNJOCTDNT-YOEHRIQHSA-N 0 0 420.531 4.148 20 5 HIBDRN O=C(NCc1cc(Br)ccc1Br)c1csc([N+](=O)[O-])c1 ZINC000476789778 891770777 /nfs/dbraw/zinc/77/07/77/891770777.db2.gz UYDSIMNJPRIEMM-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000476809901 891795569 /nfs/dbraw/zinc/79/55/69/891795569.db2.gz UUJCQCALNLNFCH-MRXNPFEDSA-N 0 0 405.292 4.380 20 5 HIBDRN Cc1cncn1C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000476824500 891807324 /nfs/dbraw/zinc/80/73/24/891807324.db2.gz RKIXCLQZFOUUBF-UHFFFAOYSA-N 0 0 405.458 4.321 20 5 HIBDRN COc1c(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)cccc1[N+](=O)[O-] ZINC000476982392 891907847 /nfs/dbraw/zinc/90/78/47/891907847.db2.gz HAVWXLNSSAHLNO-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1nc2c(s1)CCCC2 ZINC000476997555 891923147 /nfs/dbraw/zinc/92/31/47/891923147.db2.gz RGBQLJJCHZHYPK-NSHDSACASA-N 0 0 408.911 4.043 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477053520 891985936 /nfs/dbraw/zinc/98/59/36/891985936.db2.gz YPXIGHHUWTUQKX-LADGPHEKSA-N 0 0 423.513 4.476 20 5 HIBDRN COc1ccc(C)cc1-c1csc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000477109810 892040956 /nfs/dbraw/zinc/04/09/56/892040956.db2.gz DQSRSOCXOWPMFL-UHFFFAOYSA-N 0 0 401.419 4.356 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(c1cccc(C(F)(F)F)c1)C(C)C ZINC000477128512 892056465 /nfs/dbraw/zinc/05/64/65/892056465.db2.gz RRGLGNMLGGGEIH-UHFFFAOYSA-N 0 0 418.393 4.226 20 5 HIBDRN COc1c(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)cccc1[N+](=O)[O-] ZINC000477160204 892081405 /nfs/dbraw/zinc/08/14/05/892081405.db2.gz FPMGNHAAILMVDB-UHFFFAOYSA-N 0 0 400.431 4.130 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCCC[C@H]2OC(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000504897309 913627742 /nfs/dbraw/zinc/62/77/42/913627742.db2.gz XSQCROYUCVUISV-ZWNOBZJWSA-N 0 0 422.226 4.338 20 5 HIBDRN CCOCCOc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000477208355 892137665 /nfs/dbraw/zinc/13/76/65/892137665.db2.gz RTLANGTWUXNQNU-ZDUSSCGKSA-N 0 0 407.854 4.103 20 5 HIBDRN O=C(NCc1c(F)cccc1OC(F)F)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000477333517 892301510 /nfs/dbraw/zinc/30/15/10/892301510.db2.gz YSLFUWKOCOVCLJ-UHFFFAOYSA-N 0 0 412.367 4.352 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)[C@H](C)c3ccc(Cl)s3)CC2)ccc1[N+](=O)[O-] ZINC000477371939 892334089 /nfs/dbraw/zinc/33/40/89/892334089.db2.gz HNCVNTZASWJSQH-CYBMUJFWSA-N 0 0 423.922 4.161 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3cc4cccc(C)c4o3)CC2)ccc1[N+](=O)[O-] ZINC000477372371 892334132 /nfs/dbraw/zinc/33/41/32/892334132.db2.gz JQZLMCDHZVBZRQ-UHFFFAOYSA-N 0 0 409.442 4.011 20 5 HIBDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000477387551 892344832 /nfs/dbraw/zinc/34/48/32/892344832.db2.gz ZIGSSDKIZYOAGY-BXKDBHETSA-N 0 0 409.202 4.089 20 5 HIBDRN NC(=O)c1ccccc1Oc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000477392647 892348534 /nfs/dbraw/zinc/34/85/34/892348534.db2.gz MBVFLULXSKFONZ-UHFFFAOYSA-N 0 0 411.801 4.392 20 5 HIBDRN O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)c1ccc(C2CCCCC2)cc1 ZINC000477406845 892360655 /nfs/dbraw/zinc/36/06/55/892360655.db2.gz QFOUFXCHFUWSLG-UHFFFAOYSA-N 0 0 419.275 4.450 20 5 HIBDRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000504924203 913662927 /nfs/dbraw/zinc/66/29/27/913662927.db2.gz KZNQHCCKRKRLLF-QGZVFWFLSA-N 0 0 419.275 4.272 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000477475504 892455345 /nfs/dbraw/zinc/45/53/45/892455345.db2.gz COANMDUMJYONLT-SFHVURJKSA-N 0 0 404.463 4.280 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1cccc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000477484901 892476459 /nfs/dbraw/zinc/47/64/59/892476459.db2.gz ZAZNSPVCUVGEDP-HNNXBMFYSA-N 0 0 408.813 4.200 20 5 HIBDRN Cc1ccnc(-c2cccc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])c2)n1 ZINC000477498486 892500827 /nfs/dbraw/zinc/50/08/27/892500827.db2.gz LEFGGTPUBGGRNY-UHFFFAOYSA-N 0 0 411.849 4.378 20 5 HIBDRN Cc1ccc(-c2ccc(C)c(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)c2)o1 ZINC000477561356 892615159 /nfs/dbraw/zinc/61/51/59/892615159.db2.gz PALKPZJRWVRFNI-OAHLLOKOSA-N 0 0 407.426 4.229 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)Oc4ccc(C)cc43)cc2)c(C)c1[N+](=O)[O-] ZINC000477562384 892615511 /nfs/dbraw/zinc/61/55/11/892615511.db2.gz OTJQLDORBAUSOP-HNNXBMFYSA-N 0 0 420.469 4.193 20 5 HIBDRN Cc1ccc(-c2ccc(C)c(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)c2)o1 ZINC000477593082 892668252 /nfs/dbraw/zinc/66/82/52/892668252.db2.gz RPHQRVNYEXDFIO-UHFFFAOYSA-N 0 0 408.410 4.424 20 5 HIBDRN CCOC(=O)CCc1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000477608490 892696822 /nfs/dbraw/zinc/69/68/22/892696822.db2.gz BHMDTHQVMWNOBW-UHFFFAOYSA-N 0 0 419.865 4.108 20 5 HIBDRN COc1cc(OCC(=O)NCc2ccc(Oc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000504959727 913698087 /nfs/dbraw/zinc/69/80/87/913698087.db2.gz ORZFKXWENIXCCD-UHFFFAOYSA-N 0 0 408.410 4.091 20 5 HIBDRN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000477672310 892804235 /nfs/dbraw/zinc/80/42/35/892804235.db2.gz AEJVJHZHXOGYHK-UHFFFAOYSA-N 0 0 423.391 4.066 20 5 HIBDRN CC(C)(C)Oc1cc(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000477706491 892819866 /nfs/dbraw/zinc/81/98/66/892819866.db2.gz VQLQNERTQFBAPH-KRWDZBQOSA-N 0 0 401.438 4.124 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC(c2nc3ccccc3s2)C1 ZINC000477713232 892822809 /nfs/dbraw/zinc/82/28/09/892822809.db2.gz NMVFGLXTBSXGAK-UHFFFAOYSA-N 0 0 407.373 4.463 20 5 HIBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000477790176 892868336 /nfs/dbraw/zinc/86/83/36/892868336.db2.gz AQLRECNRHOWGLT-UHFFFAOYSA-N 0 0 404.348 4.276 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Br)cn1 ZINC000477792106 892870070 /nfs/dbraw/zinc/87/00/70/892870070.db2.gz DGOXUXZXDPRODY-MRVPVSSYSA-N 0 0 418.169 4.262 20 5 HIBDRN COC(=O)c1csc(-c2cccc(CNc3ccc(C(C)=O)cc3[N+](=O)[O-])c2)n1 ZINC000477809433 892880424 /nfs/dbraw/zinc/88/04/24/892880424.db2.gz XZNDSDSMSBXANW-UHFFFAOYSA-N 0 0 411.439 4.320 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000477815952 892885005 /nfs/dbraw/zinc/88/50/05/892885005.db2.gz CGYABKKFBIOQKP-GHTZIAJQSA-N 0 0 417.893 4.023 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(NC(=O)c2ccccc2)cn1 ZINC000477891564 892957157 /nfs/dbraw/zinc/95/71/57/892957157.db2.gz XVTTUOYGYRGXAR-UHFFFAOYSA-N 0 0 410.817 4.077 20 5 HIBDRN C[C@H](Sc1ccc(Br)cc1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000512380364 921118221 /nfs/dbraw/zinc/11/82/21/921118221.db2.gz AIRKBNBUKCVZPE-LBPRGKRZSA-N 0 0 424.320 4.066 20 5 HIBDRN COc1ccc(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc1[N+](=O)[O-] ZINC000477905052 892978218 /nfs/dbraw/zinc/97/82/18/892978218.db2.gz QVFIYZYZOPSALG-UHFFFAOYSA-N 0 0 409.423 4.403 20 5 HIBDRN O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000477921992 893007893 /nfs/dbraw/zinc/00/78/93/893007893.db2.gz PMWMZUAGJOJMBK-UHFFFAOYSA-N 0 0 402.712 4.291 20 5 HIBDRN CC(C)n1ncc2c1C[C@H](Nc1ccc([N+](=O)[O-])c(OCc3ccccc3)n1)CC2 ZINC000477962681 893053264 /nfs/dbraw/zinc/05/32/64/893053264.db2.gz GRDWPVCCIHYHHP-GOSISDBHSA-N 0 0 407.474 4.316 20 5 HIBDRN CC(C)n1ncc2c1C[C@@H](Nc1ccc([N+](=O)[O-])c(OCc3ccccc3)n1)CC2 ZINC000477962683 893054681 /nfs/dbraw/zinc/05/46/81/893054681.db2.gz GRDWPVCCIHYHHP-SFHVURJKSA-N 0 0 407.474 4.316 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc([N+](=O)[O-])c1C ZINC000478006257 893114152 /nfs/dbraw/zinc/11/41/52/893114152.db2.gz WLRXPECPLLNUPZ-LLVKDONJSA-N 0 0 404.373 4.148 20 5 HIBDRN CC(C)C[C@@](C)(NC(=O)CCn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000478018998 893136286 /nfs/dbraw/zinc/13/62/86/893136286.db2.gz RGICOESNDDGUQG-GOSISDBHSA-N 0 0 423.311 4.022 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000478031361 893157673 /nfs/dbraw/zinc/15/76/73/893157673.db2.gz UVSPRKUAMHYCBX-OAHLLOKOSA-N 0 0 423.860 4.025 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)cc1[N+](=O)[O-] ZINC000478041614 893177335 /nfs/dbraw/zinc/17/73/35/893177335.db2.gz PTSWXVICJVONDH-UHFFFAOYSA-N 0 0 411.483 4.258 20 5 HIBDRN Cc1nc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)nc2c1CCCC2 ZINC000478063505 893221996 /nfs/dbraw/zinc/22/19/96/893221996.db2.gz QCSYFRVKKNDMLP-GASCZTMLSA-N 0 0 423.517 4.307 20 5 HIBDRN CC[C@H](CC1CCCC1)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000478078683 893241916 /nfs/dbraw/zinc/24/19/16/893241916.db2.gz DTAAUROSUYNUKJ-QGZVFWFLSA-N 0 0 413.522 4.116 20 5 HIBDRN CCCC[C@@H](CC)CC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000478087270 893250925 /nfs/dbraw/zinc/25/09/25/893250925.db2.gz QRLVDOFMIRDKMH-MRXNPFEDSA-N 0 0 401.511 4.116 20 5 HIBDRN Cc1cc2sc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)nc2cc1F ZINC000478088060 893252221 /nfs/dbraw/zinc/25/22/21/893252221.db2.gz RXGOBUHKWRAEOD-UHFFFAOYSA-N 0 0 411.418 4.305 20 5 HIBDRN O=C(NCCCc1ccccc1F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000478115604 893282691 /nfs/dbraw/zinc/28/26/91/893282691.db2.gz LTIIZVPLFRDODZ-UHFFFAOYSA-N 0 0 410.395 4.461 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000478205751 893367371 /nfs/dbraw/zinc/36/73/71/893367371.db2.gz JBFRKACNZJQPCS-DOTOQJQBSA-N 0 0 403.385 4.056 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(OCc2cscn2)c1 ZINC000505022156 913761824 /nfs/dbraw/zinc/76/18/24/913761824.db2.gz AXPRCAIFMWPYFL-UHFFFAOYSA-N 0 0 408.439 4.224 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000478261864 893447280 /nfs/dbraw/zinc/44/72/80/893447280.db2.gz SNROENFNAZJGOJ-RDJZCZTQSA-N 0 0 409.417 4.113 20 5 HIBDRN COC(=O)c1cnc(Oc2cccc(C(=O)Nc3ccc(C)cc3)c2)c([N+](=O)[O-])c1 ZINC000478273833 893472362 /nfs/dbraw/zinc/47/23/62/893472362.db2.gz DBUZNFRLQUNXNO-UHFFFAOYSA-N 0 0 407.382 4.129 20 5 HIBDRN CC[C@@H](C)c1ncc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cn1 ZINC000478284793 893489809 /nfs/dbraw/zinc/48/98/09/893489809.db2.gz BBSWTXRBRDWTIO-CYBMUJFWSA-N 0 0 408.462 4.012 20 5 HIBDRN CCN(CC1CCC1)C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000478305990 893525903 /nfs/dbraw/zinc/52/59/03/893525903.db2.gz QLEYJJUFGXYRMJ-UHFFFAOYSA-N 0 0 409.486 4.154 20 5 HIBDRN CC(C)(C)n1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)nn1 ZINC000478331672 893564605 /nfs/dbraw/zinc/56/46/05/893564605.db2.gz AGUIJQCPLVLJEA-UHFFFAOYSA-N 0 0 403.489 4.406 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000478340119 893580128 /nfs/dbraw/zinc/58/01/28/893580128.db2.gz KSEAGLCYPYABRU-INIZCTEOSA-N 0 0 422.503 4.439 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(-c3csc(-c4ccc5c(c4)OCCO5)n3)n2)c1 ZINC000505043344 913783435 /nfs/dbraw/zinc/78/34/35/913783435.db2.gz BDEFVTQZCABZCO-UHFFFAOYSA-N 0 0 408.395 4.207 20 5 HIBDRN COc1ccc(OC[C@H](O)COC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000478351491 893598834 /nfs/dbraw/zinc/59/88/34/893598834.db2.gz BSOSGGUAHHSUGR-IBGZPJMESA-N 0 0 409.438 4.149 20 5 HIBDRN O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1csc([N+](=O)[O-])c1 ZINC000478381548 893652354 /nfs/dbraw/zinc/65/23/54/893652354.db2.gz NFINAJNDBCKGAU-UHFFFAOYSA-N 0 0 405.439 4.215 20 5 HIBDRN CCOc1ccc(C(=O)NC[C@H](C)CSc2ccccc2OC)cc1[N+](=O)[O-] ZINC000505049066 913791393 /nfs/dbraw/zinc/79/13/93/913791393.db2.gz SXIAXIUBCZOIQB-AWEZNQCLSA-N 0 0 404.488 4.160 20 5 HIBDRN CSc1ccc(C(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000478451971 893769339 /nfs/dbraw/zinc/76/93/39/893769339.db2.gz CNEKUJOAKNIBLT-LBPRGKRZSA-N 0 0 401.271 4.087 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000478456641 893777050 /nfs/dbraw/zinc/77/70/50/893777050.db2.gz YLLWKGFMOMGANQ-GUYCJALGSA-N 0 0 411.285 4.320 20 5 HIBDRN COc1cc(C(=O)N2CCC(C)(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000478490363 893810015 /nfs/dbraw/zinc/81/00/15/893810015.db2.gz JVEFLFAUXYKJHE-UHFFFAOYSA-N 0 0 418.877 4.459 20 5 HIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1S[C@H]1CCc2ccccc2NC1=O ZINC000478512198 893821541 /nfs/dbraw/zinc/82/15/41/893821541.db2.gz ADITYDWINSVUIZ-FQEVSTJZSA-N 0 0 401.491 4.132 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1[N+](=O)[O-])c1ccccn1 ZINC000478540645 893840069 /nfs/dbraw/zinc/84/00/69/893840069.db2.gz JCTNFWBIBNQEMM-KLLUNRAKSA-N 0 0 414.465 4.231 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000478550959 893845645 /nfs/dbraw/zinc/84/56/45/893845645.db2.gz QKKHDEODPSXDQN-CTYIDZIISA-N 0 0 404.850 4.332 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc([N+](=O)[O-])c1C ZINC000478573930 893855184 /nfs/dbraw/zinc/85/51/84/893855184.db2.gz DTQVSFHCEQMGBE-UHFFFAOYSA-N 0 0 424.413 4.079 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(C)CCc2cccc3ccccc32)cc([N+](=O)[O-])c1 ZINC000505090439 913812349 /nfs/dbraw/zinc/81/23/49/913812349.db2.gz DOZAKIGSRUFSDS-UHFFFAOYSA-N 0 0 406.438 4.239 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ccn(C)n1 ZINC000478642883 893891509 /nfs/dbraw/zinc/89/15/09/893891509.db2.gz FFTMUSPAFLYCSS-UHFFFAOYSA-N 0 0 402.863 4.410 20 5 HIBDRN COc1cccc(F)c1NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000478649449 893895113 /nfs/dbraw/zinc/89/51/13/893895113.db2.gz DLYAKBBECLDUMN-OKILXGFUSA-N 0 0 401.438 4.477 20 5 HIBDRN COc1ccc(CS(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl ZINC000478673295 893924760 /nfs/dbraw/zinc/92/47/60/893924760.db2.gz YJPLLOCQAKJQCU-UHFFFAOYSA-N 0 0 422.846 4.027 20 5 HIBDRN Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000478683673 893937331 /nfs/dbraw/zinc/93/73/31/893937331.db2.gz ZWUMBHWMCCHOLT-UHFFFAOYSA-N 0 0 403.385 4.134 20 5 HIBDRN COc1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc([N+](=O)[O-])c1C ZINC000478699413 893961429 /nfs/dbraw/zinc/96/14/29/893961429.db2.gz ZBUNLWMICROZKF-UHFFFAOYSA-N 0 0 408.458 4.007 20 5 HIBDRN CCOc1cc(OCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000478729723 894005016 /nfs/dbraw/zinc/00/50/16/894005016.db2.gz DDOXUFQVGDXLEQ-UHFFFAOYSA-N 0 0 400.431 4.240 20 5 HIBDRN COC(=O)c1ccc(C(F)(F)F)nc1SCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000478731687 894006686 /nfs/dbraw/zinc/00/66/86/894006686.db2.gz SIZTUHRYEYZZFD-UHFFFAOYSA-N 0 0 413.333 4.229 20 5 HIBDRN C[C@@H](Sc1nnc(Cc2ccccc2)[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000478739184 894015184 /nfs/dbraw/zinc/01/51/84/894015184.db2.gz KNRJCHYIDUOPJD-GFCCVEGCSA-N 0 0 408.443 4.207 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000478769114 894045731 /nfs/dbraw/zinc/04/57/31/894045731.db2.gz IFECXNJEZPVWIG-UHFFFAOYSA-N 0 0 408.798 4.167 20 5 HIBDRN CCC(CC)[C@@H]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000478776550 894052241 /nfs/dbraw/zinc/05/22/41/894052241.db2.gz XJSZBZIWWCDNOF-QAPCUYQASA-N 0 0 403.504 4.432 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nn(C)c2ccccc12 ZINC000478786332 894061883 /nfs/dbraw/zinc/06/18/83/894061883.db2.gz INJPXHYYGOPRGA-UHFFFAOYSA-N 0 0 412.515 4.202 20 5 HIBDRN Cc1ccc(C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2C)c2ccccn2)cc1 ZINC000478835040 894112128 /nfs/dbraw/zinc/11/21/28/894112128.db2.gz INQSRHNTJXPYCS-OAQYLSRUSA-N 0 0 404.470 4.390 20 5 HIBDRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Cc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000505140744 913838051 /nfs/dbraw/zinc/83/80/51/913838051.db2.gz JGKJETMPWQUPAR-ZDUSSCGKSA-N 0 0 411.483 4.455 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc([N+](=O)[O-])c1C ZINC000478860055 894138102 /nfs/dbraw/zinc/13/81/02/894138102.db2.gz SNQUKBHVTUCSFH-MRXNPFEDSA-N 0 0 421.453 4.377 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cc([N+](=O)[O-])c1C ZINC000478860054 894138618 /nfs/dbraw/zinc/13/86/18/894138618.db2.gz SNQUKBHVTUCSFH-INIZCTEOSA-N 0 0 421.453 4.377 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000478888036 894169316 /nfs/dbraw/zinc/16/93/16/894169316.db2.gz XHEYOHXXZDOLJM-JTQLQIEISA-N 0 0 408.808 4.033 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000478935786 894216773 /nfs/dbraw/zinc/21/67/73/894216773.db2.gz MOZYQKRVSHZVPX-UHFFFAOYSA-N 0 0 401.488 4.034 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Br)cc([N+](=O)[O-])c1 ZINC000478940887 894221327 /nfs/dbraw/zinc/22/13/27/894221327.db2.gz WBNKKWHRTMNQHW-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])CCC2 ZINC000479086505 894351766 /nfs/dbraw/zinc/35/17/66/894351766.db2.gz VPQYXSIUHAGXKH-CYBMUJFWSA-N 0 0 421.544 4.494 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000479113881 894382527 /nfs/dbraw/zinc/38/25/27/894382527.db2.gz GYKDDRFRTIOHIJ-UHFFFAOYSA-N 0 0 417.256 4.222 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC000479113726 894382934 /nfs/dbraw/zinc/38/29/34/894382934.db2.gz FTNDFAQHLZHYMS-MRXNPFEDSA-N 0 0 402.394 4.136 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc([N+](=O)[O-])c1C ZINC000479142365 894412441 /nfs/dbraw/zinc/41/24/41/894412441.db2.gz QDLVNBOEZOBJLN-INIZCTEOSA-N 0 0 414.849 4.419 20 5 HIBDRN O=C(N[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 ZINC000505182638 913867154 /nfs/dbraw/zinc/86/71/54/913867154.db2.gz GAXGUJLSZBXYSP-HXUWFJFHSA-N 0 0 423.856 4.036 20 5 HIBDRN COc1cc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000479146854 894414723 /nfs/dbraw/zinc/41/47/23/894414723.db2.gz XTMAIRZMBUITJX-UHFFFAOYSA-N 0 0 411.650 4.364 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1c(F)cc(F)cc1Br ZINC000479146548 894414831 /nfs/dbraw/zinc/41/48/31/894414831.db2.gz WHXJBCLGXXWRAH-UHFFFAOYSA-N 0 0 421.219 4.053 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2c(F)cc(F)cc2Br)c1C ZINC000479148575 894416857 /nfs/dbraw/zinc/41/68/57/894416857.db2.gz VVVHWKYICABSDY-UHFFFAOYSA-N 0 0 421.219 4.053 20 5 HIBDRN Cc1ccc(NC(=O)Cc2nc(COc3nc(C)cc(C)c3[N+](=O)[O-])cs2)cc1 ZINC000479153183 894423705 /nfs/dbraw/zinc/42/37/05/894423705.db2.gz APZJHDPGIUOEDK-UHFFFAOYSA-N 0 0 412.471 4.132 20 5 HIBDRN COc1cc(C(=O)N(Cc2cccc(C)n2)Cc2cccc(C)n2)cc([N+](=O)[O-])c1C ZINC000479155917 894424826 /nfs/dbraw/zinc/42/48/26/894424826.db2.gz LGUHGGISBZQILQ-UHFFFAOYSA-N 0 0 420.469 4.161 20 5 HIBDRN Cc1ccc(S(=O)(=O)c2ccc(COc3nc(C)cc(C)c3[N+](=O)[O-])cc2)cc1 ZINC000479179617 894447634 /nfs/dbraw/zinc/44/76/34/894447634.db2.gz IFHZYHCHWPGCNP-UHFFFAOYSA-N 0 0 412.467 4.327 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2C(=O)COc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000479186663 894454986 /nfs/dbraw/zinc/45/49/86/894454986.db2.gz MJTQAERFUCTGJI-IBGZPJMESA-N 0 0 413.474 4.138 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(Br)cc2OCC)cc1[N+](=O)[O-] ZINC000479207092 894470713 /nfs/dbraw/zinc/47/07/13/894470713.db2.gz DDISBHXMJPEKNI-UHFFFAOYSA-N 0 0 408.252 4.440 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000479235631 894499095 /nfs/dbraw/zinc/49/90/95/894499095.db2.gz QJQOXXVNFOADAR-UHFFFAOYSA-N 0 0 414.477 4.241 20 5 HIBDRN CCOC(=O)c1cc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ncc1Cl ZINC000479296670 894579115 /nfs/dbraw/zinc/57/91/15/894579115.db2.gz QNBNASFDGVKFTN-UHFFFAOYSA-N 0 0 403.744 4.451 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000479314075 894600936 /nfs/dbraw/zinc/60/09/36/894600936.db2.gz HMYRZOLDKOWFKK-UHFFFAOYSA-N 0 0 409.486 4.196 20 5 HIBDRN CC[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 ZINC000479321868 894610689 /nfs/dbraw/zinc/61/06/89/894610689.db2.gz VBIKXXGLYINJON-NSHDSACASA-N 0 0 402.398 4.329 20 5 HIBDRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479348216 894643054 /nfs/dbraw/zinc/64/30/54/894643054.db2.gz MOQWKCVKKCSEDP-UHFFFAOYSA-N 0 0 422.938 4.339 20 5 HIBDRN CCCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCc2cccnc21 ZINC000479357917 894657001 /nfs/dbraw/zinc/65/70/01/894657001.db2.gz HVHDABVWHGMSGS-LJQANCHMSA-N 0 0 406.442 4.173 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)CC(C)(C)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000479363166 894662280 /nfs/dbraw/zinc/66/22/80/894662280.db2.gz UPHGUSIUFOUQCI-ZDUSSCGKSA-N 0 0 404.385 4.072 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](CC1CCC1)c1ccccc1 ZINC000479375221 894676430 /nfs/dbraw/zinc/67/64/30/894676430.db2.gz CNZKZRXDXACGNJ-IBGZPJMESA-N 0 0 423.469 4.331 20 5 HIBDRN O=C(NCCCOC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000479388791 894691894 /nfs/dbraw/zinc/69/18/94/894691894.db2.gz KNJIVCZCTMUYRU-QGZVFWFLSA-N 0 0 416.499 4.062 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000479404118 894708149 /nfs/dbraw/zinc/70/81/49/894708149.db2.gz DCDMKOIIBVOHHM-UHFFFAOYSA-N 0 0 423.856 4.473 20 5 HIBDRN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000479418393 894728928 /nfs/dbraw/zinc/72/89/28/894728928.db2.gz SZCHYCVFNZWJQN-INIZCTEOSA-N 0 0 414.483 4.115 20 5 HIBDRN Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000505234149 913897087 /nfs/dbraw/zinc/89/70/87/913897087.db2.gz SZWXUTOOSLISTG-UHFFFAOYSA-N 0 0 419.840 4.187 20 5 HIBDRN CCOC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000505240550 913898930 /nfs/dbraw/zinc/89/89/30/913898930.db2.gz VCHVAIPIVJSVNU-MRXNPFEDSA-N 0 0 414.458 4.284 20 5 HIBDRN CCc1ccc([C@H](NCc2ncnn2-c2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000479464121 894785836 /nfs/dbraw/zinc/78/58/36/894785836.db2.gz KZUCEMGVGHMWAF-JOCHJYFZSA-N 0 0 403.442 4.210 20 5 HIBDRN CCc1c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000479467853 894789456 /nfs/dbraw/zinc/78/94/56/894789456.db2.gz BTVRAEXQUQIULB-UHFFFAOYSA-N 0 0 416.840 4.108 20 5 HIBDRN CCOc1ccccc1C1=CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000479611806 894884593 /nfs/dbraw/zinc/88/45/93/894884593.db2.gz BSQQCLXEBHNROX-UHFFFAOYSA-N 0 0 418.453 4.109 20 5 HIBDRN CCc1ccc(C(=O)NCCCCc2nc(-c3cccnc3)cs2)cc1[N+](=O)[O-] ZINC000479647109 894918670 /nfs/dbraw/zinc/91/86/70/894918670.db2.gz CCDIDNPFSOSQFB-UHFFFAOYSA-N 0 0 410.499 4.428 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000505260123 913916751 /nfs/dbraw/zinc/91/67/51/913916751.db2.gz CYHZKOXQMZOPFD-ROUUACIJSA-N 0 0 404.850 4.491 20 5 HIBDRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000479655349 894929234 /nfs/dbraw/zinc/92/92/34/894929234.db2.gz LJTBGQHVHNFSKO-QGZVFWFLSA-N 0 0 403.360 4.437 20 5 HIBDRN COc1ccc2oc([C@H](C)NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c(C)c2c1 ZINC000479664374 894940933 /nfs/dbraw/zinc/94/09/33/894940933.db2.gz ILAJIZUROAJKQV-AWEZNQCLSA-N 0 0 420.425 4.335 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)NCc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000479688926 894977799 /nfs/dbraw/zinc/97/77/99/894977799.db2.gz QMFBXUGXDIAXDU-AWEZNQCLSA-N 0 0 409.446 4.076 20 5 HIBDRN COCC[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000479757709 895057072 /nfs/dbraw/zinc/05/70/72/895057072.db2.gz RKAFSWWNULLTMG-AWEZNQCLSA-N 0 0 411.252 4.075 20 5 HIBDRN COC(=O)c1ccc([C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(F)(F)F)cc1 ZINC000479765964 895066585 /nfs/dbraw/zinc/06/65/85/895066585.db2.gz DSRJVMCMDLCSMX-HNNXBMFYSA-N 0 0 411.336 4.115 20 5 HIBDRN Cc1c(CNC(=O)NCc2cc3cc(Br)ccc3[nH]2)cccc1[N+](=O)[O-] ZINC000479768645 895070164 /nfs/dbraw/zinc/07/01/64/895070164.db2.gz CXVZWQIPSUUGEZ-UHFFFAOYSA-N 0 0 417.263 4.146 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000505275799 913934276 /nfs/dbraw/zinc/93/42/76/913934276.db2.gz XFYNVYQUEVCNMT-UHFFFAOYSA-N 0 0 420.775 4.031 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)n1 ZINC000479804080 895108991 /nfs/dbraw/zinc/10/89/91/895108991.db2.gz MNQSDNHWEHYGMI-KRWDZBQOSA-N 0 0 417.469 4.229 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000479808505 895116738 /nfs/dbraw/zinc/11/67/38/895116738.db2.gz BWMYOIOVVQMPGR-ODXCJYRJSA-N 0 0 401.850 4.164 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000479820852 895136411 /nfs/dbraw/zinc/13/64/11/895136411.db2.gz WECFCINFXSVCTP-GFCCVEGCSA-N 0 0 414.805 4.237 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479837578 895165227 /nfs/dbraw/zinc/16/52/27/895165227.db2.gz MBZPWZCUDOJOKT-XJKSGUPXSA-N 0 0 416.359 4.085 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)Cc3cccc(C(F)F)c3)co2)cc1 ZINC000479855840 895189714 /nfs/dbraw/zinc/18/97/14/895189714.db2.gz ZOYYIXRXTBGFHH-UHFFFAOYSA-N 0 0 408.382 4.302 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000479857317 895191315 /nfs/dbraw/zinc/19/13/15/895191315.db2.gz BRGBITAOBJJLAV-UHFFFAOYSA-N 0 0 420.238 4.126 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Sc1nnc(-c2ccc(Br)cc2)o1 ZINC000479902526 895248467 /nfs/dbraw/zinc/24/84/67/895248467.db2.gz OTVQXWOGEJUQFT-UHFFFAOYSA-N 0 0 410.253 4.083 20 5 HIBDRN Cc1nn(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c2ccc([N+](=O)[O-])cc12 ZINC000479944789 895297532 /nfs/dbraw/zinc/29/75/32/895297532.db2.gz YVNMHTMRNVKLRF-UHFFFAOYSA-N 0 0 403.320 4.370 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Oc1cccc(C(=O)N2CCc3ccccc3C2)c1 ZINC000479969398 895322923 /nfs/dbraw/zinc/32/29/23/895322923.db2.gz MYOGSXNKVZEEMO-UHFFFAOYSA-N 0 0 406.442 4.110 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 ZINC000479984467 895337432 /nfs/dbraw/zinc/33/74/32/895337432.db2.gz GQFHIBZBEQRONL-UHFFFAOYSA-N 0 0 401.467 4.391 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(SC)cc1 ZINC000480003416 895355910 /nfs/dbraw/zinc/35/59/10/895355910.db2.gz XERVVFOHNBGRCI-KRWDZBQOSA-N 0 0 403.460 4.051 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000480007694 895360667 /nfs/dbraw/zinc/36/06/67/895360667.db2.gz USYJCXPWBXMTJU-HNNXBMFYSA-N 0 0 408.458 4.227 20 5 HIBDRN O=C(c1ccccc1NC1CCCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000480054980 895402703 /nfs/dbraw/zinc/40/27/03/895402703.db2.gz AHLDOGDAUIEGFF-QGZVFWFLSA-N 0 0 409.490 4.061 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc([N+](=O)[O-])c1C ZINC000480066898 895416476 /nfs/dbraw/zinc/41/64/76/895416476.db2.gz FKCASCFGBRKKJZ-UHFFFAOYSA-N 0 0 424.413 4.004 20 5 HIBDRN CC(C)NC(=O)c1ccc(N2C[C@H](c3ccccc3Cl)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000480067851 895418557 /nfs/dbraw/zinc/41/85/57/895418557.db2.gz CKMUTCHGAOEZDQ-JLTOFOAXSA-N 0 0 417.893 4.353 20 5 HIBDRN C[C@H]1CO[C@@H](c2ccccc2Cl)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000480072289 895422416 /nfs/dbraw/zinc/42/24/16/895422416.db2.gz KWGBWJPOQPCLJJ-RNODOKPDSA-N 0 0 415.877 4.107 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000480074732 895426686 /nfs/dbraw/zinc/42/66/86/895426686.db2.gz XOAKQCIXEWERPP-IYBDPMFKSA-N 0 0 424.501 4.343 20 5 HIBDRN CCOCCOc1ccc(Cl)cc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000480148520 895532039 /nfs/dbraw/zinc/53/20/39/895532039.db2.gz NFKJLCORAQINHG-UHFFFAOYSA-N 0 0 408.838 4.233 20 5 HIBDRN CCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000480232109 895638496 /nfs/dbraw/zinc/63/84/96/895638496.db2.gz XECGDQSKILHWEB-UHFFFAOYSA-N 0 0 411.867 4.014 20 5 HIBDRN COc1cc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c1C ZINC000480336054 895740268 /nfs/dbraw/zinc/74/02/68/895740268.db2.gz PGLHCEYBNOVZQW-UHFFFAOYSA-N 0 0 418.862 4.260 20 5 HIBDRN COCCC1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCCCC1 ZINC000480390477 895796003 /nfs/dbraw/zinc/79/60/03/895796003.db2.gz QVWMCOVDHQGRQV-UHFFFAOYSA-N 0 0 401.410 4.305 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000480422037 895818338 /nfs/dbraw/zinc/81/83/38/895818338.db2.gz SVDWMGJHYRKGJU-GFCCVEGCSA-N 0 0 416.384 4.334 20 5 HIBDRN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480434048 895826386 /nfs/dbraw/zinc/82/63/86/895826386.db2.gz FNPZTHVRZBKTFZ-JKSUJKDBSA-N 0 0 415.660 4.285 20 5 HIBDRN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480440118 895830946 /nfs/dbraw/zinc/83/09/46/895830946.db2.gz STZAEZFAESLQJH-QZTJIDSGSA-N 0 0 420.252 4.113 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Nc2ccc(NC3CCCC3)nc2)c([N+](=O)[O-])c1 ZINC000480485634 895861287 /nfs/dbraw/zinc/86/12/87/895861287.db2.gz UOPRXOGHEKNMKH-UHFFFAOYSA-N 0 0 406.446 4.052 20 5 HIBDRN CCOC(=O)c1sc2nc(C)nc(Oc3ccc([N+](=O)[O-])c(OC)c3)c2c1C ZINC000480551395 895912030 /nfs/dbraw/zinc/91/20/30/895912030.db2.gz FYIYIJWJYHLBFQ-UHFFFAOYSA-N 0 0 403.416 4.194 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1N1CCCCC1=O ZINC000480561180 895921273 /nfs/dbraw/zinc/92/12/73/895921273.db2.gz XGHLDHISNAAOHT-UHFFFAOYSA-N 0 0 415.471 4.095 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c1C ZINC000480584999 895946594 /nfs/dbraw/zinc/94/65/94/895946594.db2.gz TUVMUQJXQWGODT-YLJYHZDGSA-N 0 0 402.422 4.043 20 5 HIBDRN COc1cc(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc([N+](=O)[O-])c1C ZINC000480587670 895950054 /nfs/dbraw/zinc/95/00/54/895950054.db2.gz YJEQLJHWQVDSHV-SFHVURJKSA-N 0 0 424.375 4.144 20 5 HIBDRN CCCc1c(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cnn1-c1cccc(F)c1 ZINC000480588179 895951452 /nfs/dbraw/zinc/95/14/52/895951452.db2.gz ZTTROOVVDCRGGI-UHFFFAOYSA-N 0 0 412.421 4.441 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccco2)cs1 ZINC000480641196 896010326 /nfs/dbraw/zinc/01/03/26/896010326.db2.gz AQRJAJQMSXFIQK-UHFFFAOYSA-N 0 0 405.457 4.302 20 5 HIBDRN O=C(c1cc(N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000480788132 896154320 /nfs/dbraw/zinc/15/43/20/896154320.db2.gz GGLLVKQQRCYJCH-FUHWJXTLSA-N 0 0 417.412 4.400 20 5 HIBDRN CCNC(=O)N(C)c1cccc(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c1 ZINC000480818340 896191815 /nfs/dbraw/zinc/19/18/15/896191815.db2.gz DNBVNMJBBOVXPL-UHFFFAOYSA-N 0 0 421.457 4.478 20 5 HIBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(Br)cn1 ZINC000480823539 896197518 /nfs/dbraw/zinc/19/75/18/896197518.db2.gz MLQGALUBPQFHCJ-SSDOTTSWSA-N 0 0 402.046 4.083 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000480869423 896232418 /nfs/dbraw/zinc/23/24/18/896232418.db2.gz XXCBVUTUTGCFGX-NSHDSACASA-N 0 0 410.396 4.053 20 5 HIBDRN CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2F)n1)c1cccc([N+](=O)[O-])c1 ZINC000505384352 914048253 /nfs/dbraw/zinc/04/82/53/914048253.db2.gz LHFWDPKVMXFSQB-QGZVFWFLSA-N 0 0 400.385 4.248 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1C ZINC000480939940 896288672 /nfs/dbraw/zinc/28/86/72/896288672.db2.gz YKYQDNZVDXCACY-UHFFFAOYSA-N 0 0 411.483 4.171 20 5 HIBDRN C[C@H](Sc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000481104638 896429538 /nfs/dbraw/zinc/42/95/38/896429538.db2.gz HOMXNOYNWRTOAM-ZETCQYMHSA-N 0 0 402.341 4.466 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000481109630 896434386 /nfs/dbraw/zinc/43/43/86/896434386.db2.gz MBETUVPQTHEMAM-UHFFFAOYSA-N 0 0 423.498 4.088 20 5 HIBDRN COCc1c(Br)cccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000505412013 914075574 /nfs/dbraw/zinc/07/55/74/914075574.db2.gz UUKCPUNKCGVMGE-UHFFFAOYSA-N 0 0 404.220 4.237 20 5 HIBDRN COc1ccc([C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(F)(F)F)cc1 ZINC000505410491 914075713 /nfs/dbraw/zinc/07/57/13/914075713.db2.gz VIXILTWGSDEOEM-GOSISDBHSA-N 0 0 407.348 4.047 20 5 HIBDRN O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000481216714 896568137 /nfs/dbraw/zinc/56/81/37/896568137.db2.gz YVNSTSZTDZPFHZ-UHFFFAOYSA-N 0 0 421.844 4.488 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc1 ZINC000481258210 896609963 /nfs/dbraw/zinc/60/99/63/896609963.db2.gz VXRLIMIDAJANBI-UHFFFAOYSA-N 0 0 421.438 4.165 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCC[C@H]3CCCCO3)cc2[N+](=O)[O-])n1 ZINC000505420150 914083650 /nfs/dbraw/zinc/08/36/50/914083650.db2.gz HCPCASHMNRYAEY-CQSZACIVSA-N 0 0 407.517 4.200 20 5 HIBDRN COC(=O)CCSCc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000505423391 914086643 /nfs/dbraw/zinc/08/66/43/914086643.db2.gz UKNQYFKBCXSLHP-UHFFFAOYSA-N 0 0 408.863 4.297 20 5 HIBDRN COC(=O)CCSCc1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000505427366 914092729 /nfs/dbraw/zinc/09/27/29/914092729.db2.gz LZTIYWYFKZXJJE-UHFFFAOYSA-N 0 0 413.455 4.125 20 5 HIBDRN CCc1cccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)c1 ZINC000481349838 896722147 /nfs/dbraw/zinc/72/21/47/896722147.db2.gz SFJBALBFWSEGDM-UHFFFAOYSA-N 0 0 411.487 4.166 20 5 HIBDRN CCn1c(SCCOc2ccccc2C(C)=O)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481358591 896736291 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ABPNCIAFPMBIPD-UHFFFAOYSA-N 0 0 415.515 4.108 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)c([N+](=O)[O-])cc1OCC ZINC000483815125 899494580 /nfs/dbraw/zinc/49/45/80/899494580.db2.gz BZSXKLQSEYMKIE-GOSISDBHSA-N 0 0 419.482 4.035 20 5 HIBDRN C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000483890672 899565426 /nfs/dbraw/zinc/56/54/26/899565426.db2.gz ZCQKIFFGXIFZKW-LLVKDONJSA-N 0 0 413.808 4.453 20 5 HIBDRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000483941615 899597492 /nfs/dbraw/zinc/59/74/92/899597492.db2.gz ODXLHARPNGZFLJ-UHFFFAOYSA-N 0 0 402.794 4.035 20 5 HIBDRN Cc1nccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)n1 ZINC000483961103 899609338 /nfs/dbraw/zinc/60/93/38/899609338.db2.gz WGPKNPJTRSHIGO-UHFFFAOYSA-N 0 0 400.485 4.477 20 5 HIBDRN CN(C)c1nc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc2o1 ZINC000484008114 899644181 /nfs/dbraw/zinc/64/41/81/899644181.db2.gz FVLZRLPZFKNUFR-UHFFFAOYSA-N 0 0 412.449 4.001 20 5 HIBDRN 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C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000485379167 900675624 /nfs/dbraw/zinc/67/56/24/900675624.db2.gz KKHLFNCVZOIHKF-MRXNPFEDSA-N 0 0 422.485 4.157 20 5 HIBDRN CC(C)(CO)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000485387113 900683400 /nfs/dbraw/zinc/68/34/00/900683400.db2.gz XGNSGMJWZAEJMK-QGZVFWFLSA-N 0 0 410.392 4.146 20 5 HIBDRN CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c1C(F)F ZINC000485394911 900692345 /nfs/dbraw/zinc/69/23/45/900692345.db2.gz KPCXGFNEHONANZ-UHFFFAOYSA-N 0 0 406.320 4.096 20 5 HIBDRN Cn1c(Sc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)nnc1-c1ccncc1 ZINC000485398757 900695907 /nfs/dbraw/zinc/69/59/07/900695907.db2.gz MFPOEBYQPIVYOZ-UHFFFAOYSA-N 0 0 408.418 4.138 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485408923 900706705 /nfs/dbraw/zinc/70/67/05/900706705.db2.gz PIUDDRCRQCCOMS-LEWJYISDSA-N 0 0 413.449 4.328 20 5 HIBDRN Cn1c(=O)c2ccsc2nc1Sc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485413073 900711447 /nfs/dbraw/zinc/71/14/47/900711447.db2.gz XFEZQUAJEIOVKI-UHFFFAOYSA-N 0 0 414.443 4.256 20 5 HIBDRN CCOC(=O)CCN(Cc1cccnc1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485419592 900717118 /nfs/dbraw/zinc/71/71/18/900717118.db2.gz YXHBZGUPPGUPTO-UHFFFAOYSA-N 0 0 424.432 4.151 20 5 HIBDRN COC(=O)CSCc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000485426655 900725190 /nfs/dbraw/zinc/72/51/90/900725190.db2.gz FJXHDEMAIHMOTM-UHFFFAOYSA-N 0 0 416.480 4.468 20 5 HIBDRN O=[N+]([O-])c1ccc(N(CCc2ccccn2)Cc2cccnc2)cc1OC(F)F ZINC000485438023 900735572 /nfs/dbraw/zinc/73/55/72/900735572.db2.gz LUIMXIOIKVXJTF-UHFFFAOYSA-N 0 0 400.385 4.236 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485450993 900746178 /nfs/dbraw/zinc/74/61/78/900746178.db2.gz KWCHNISLVUKKEK-GDBMZVCRSA-N 0 0 412.776 4.110 20 5 HIBDRN CN1C[C@@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c2ccccc2C1=O ZINC000485486533 900777086 /nfs/dbraw/zinc/77/70/86/900777086.db2.gz DCCDCBKKRYUICD-OAQYLSRUSA-N 0 0 417.421 4.195 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000485496408 900785700 /nfs/dbraw/zinc/78/57/00/900785700.db2.gz VGUOYRJVFMACHW-ZWKOTPCHSA-N 0 0 400.500 4.430 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)c1[N+](=O)[O-] ZINC000485515662 900800214 /nfs/dbraw/zinc/80/02/14/900800214.db2.gz LRSSCABUNAFNHC-MRXNPFEDSA-N 0 0 400.504 4.436 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000485532896 900812228 /nfs/dbraw/zinc/81/22/28/900812228.db2.gz OFSKRPTXIPMOPK-KRWDZBQOSA-N 0 0 400.500 4.386 20 5 HIBDRN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000485587139 900851277 /nfs/dbraw/zinc/85/12/77/900851277.db2.gz VPPYCQHLAGFDNP-INIZCTEOSA-N 0 0 407.392 4.271 20 5 HIBDRN O=C(Nc1ccc(Br)c(F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485631722 900886033 /nfs/dbraw/zinc/88/60/33/900886033.db2.gz PDUBXMBHNMUNBY-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc(C)cc(Br)c2)c([N+](=O)[O-])cc1OC ZINC000485633771 900887856 /nfs/dbraw/zinc/88/78/56/900887856.db2.gz MIEQFOABNUCAJC-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@@H](COCC4CC4)C3)o2)c(Cl)c1 ZINC000485692730 900942179 /nfs/dbraw/zinc/94/21/79/900942179.db2.gz HSMXNCYCBYLQMK-QGZVFWFLSA-N 0 0 406.866 4.136 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000485724855 900975174 /nfs/dbraw/zinc/97/51/74/900975174.db2.gz LJSSAXUVKJLANR-UHFFFAOYSA-N 0 0 407.817 4.367 20 5 HIBDRN Cc1nc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])sc1C ZINC000485738471 900991701 /nfs/dbraw/zinc/99/17/01/900991701.db2.gz PCZOJCHVFPFQRC-UHFFFAOYSA-N 0 0 411.483 4.220 20 5 HIBDRN CSc1cccc(C(=O)Nc2nc3cc4c(cc3s2)OCCCO4)c1[N+](=O)[O-] ZINC000485740904 900995243 /nfs/dbraw/zinc/99/52/43/900995243.db2.gz YZDYWSFLVINWIV-UHFFFAOYSA-N 0 0 417.468 4.340 20 5 HIBDRN CSc1cccc(C(=O)NCCc2ccc(F)c(Br)c2)c1[N+](=O)[O-] ZINC000485740482 900995254 /nfs/dbraw/zinc/99/52/54/900995254.db2.gz BFAHSMBJJGDWCI-UHFFFAOYSA-N 0 0 413.268 4.191 20 5 HIBDRN O=C(NCCOc1ccc(F)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485742876 900998241 /nfs/dbraw/zinc/99/82/41/900998241.db2.gz AKPGNBYDPNYGCR-UHFFFAOYSA-N 0 0 410.401 4.122 20 5 HIBDRN C[C@H](CCc1cccn1C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485746690 901001032 /nfs/dbraw/zinc/00/10/32/901001032.db2.gz UULYFTDEANRCIX-QGZVFWFLSA-N 0 0 407.470 4.263 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(SC)c2[N+](=O)[O-])c(OC)c1 ZINC000485759192 901015867 /nfs/dbraw/zinc/01/58/67/901015867.db2.gz OBUTWABCJIDHNR-INIZCTEOSA-N 0 0 402.472 4.311 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1[N+](=O)[O-] ZINC000485761478 901019590 /nfs/dbraw/zinc/01/95/90/901019590.db2.gz XJNGLADKYICCMU-LBPRGKRZSA-N 0 0 414.487 4.092 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CCC1=O ZINC000505851021 914497930 /nfs/dbraw/zinc/49/79/30/914497930.db2.gz KIHLVHBWXKJKHP-GFCCVEGCSA-N 0 0 404.875 4.451 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](c1ccccc1)C(F)(F)F ZINC000485787204 901040908 /nfs/dbraw/zinc/04/09/08/901040908.db2.gz QHFWCLKBBIUUMY-AWEZNQCLSA-N 0 0 416.783 4.479 20 5 HIBDRN Cc1csc(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c1Br ZINC000485847053 901092287 /nfs/dbraw/zinc/09/22/87/901092287.db2.gz IVUCKXUFOVZVLH-UHFFFAOYSA-N 0 0 412.309 4.268 20 5 HIBDRN Cn1c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000485921622 901147202 /nfs/dbraw/zinc/14/72/02/901147202.db2.gz DMCZMYGONJDRPG-UHFFFAOYSA-N 0 0 420.400 4.452 20 5 HIBDRN COc1ccc2c(c1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])CCC2 ZINC000485927197 901152467 /nfs/dbraw/zinc/15/24/67/901152467.db2.gz WNKOCQITXUVDHQ-UHFFFAOYSA-N 0 0 410.348 4.286 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c(C)c([N+](=O)[O-])c1 ZINC000485952028 901171411 /nfs/dbraw/zinc/17/14/11/901171411.db2.gz OUOMNSVVXIUXEN-HUUCEWRRSA-N 0 0 422.359 4.451 20 5 HIBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC000485969337 901185967 /nfs/dbraw/zinc/18/59/67/901185967.db2.gz VNAACATVSSKOIG-UHFFFAOYSA-N 0 0 415.858 4.200 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(F)c(Cl)cc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000485977176 901194799 /nfs/dbraw/zinc/19/47/99/901194799.db2.gz KUYLBODQSLDWTK-UHFFFAOYSA-N 0 0 401.177 4.388 20 5 HIBDRN COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2OC)cc1 ZINC000486025694 901232144 /nfs/dbraw/zinc/23/21/44/901232144.db2.gz BXLZEVWJMUNHQR-HSZRJFAPSA-N 0 0 408.454 4.500 20 5 HIBDRN O=c1c(Cl)c(/C=C\c2ccccc2[N+](=O)[O-])nc2ccc(Br)cn12 ZINC000486026336 901233383 /nfs/dbraw/zinc/23/33/83/901233383.db2.gz DRXZTBPOXPUUJL-ALCCZGGFSA-N 0 0 406.623 4.189 20 5 HIBDRN COc1cc(CNc2cccc(C(=O)N3CCc4ccccc43)c2)ccc1[N+](=O)[O-] ZINC000486033045 901237222 /nfs/dbraw/zinc/23/72/22/901237222.db2.gz WQFLDHPNEJPUKX-UHFFFAOYSA-N 0 0 403.438 4.418 20 5 HIBDRN Cc1nc2sc3c(c2c(N2CCC(n4ccc([N+](=O)[O-])n4)CC2)n1)CC[C@@H](C)C3 ZINC000486039666 901242036 /nfs/dbraw/zinc/24/20/36/901242036.db2.gz RFHAAWLAYIYABB-GFCCVEGCSA-N 0 0 412.519 4.071 20 5 HIBDRN O=C(c1cc(N2CCC(c3c(F)cccc3F)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000486049165 901249053 /nfs/dbraw/zinc/24/90/53/901249053.db2.gz YTGBNVMPGMEXSX-UHFFFAOYSA-N 0 0 415.440 4.493 20 5 HIBDRN COc1cc(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000486052289 901250519 /nfs/dbraw/zinc/25/05/19/901250519.db2.gz NHVASRMWQCORIQ-UHFFFAOYSA-N 0 0 403.438 4.418 20 5 HIBDRN O=C(c1nn(-c2ccccc2)c2c1CCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486069549 901262035 /nfs/dbraw/zinc/26/20/35/901262035.db2.gz MTEFEBIWTAFMMS-UHFFFAOYSA-N 0 0 402.454 4.074 20 5 HIBDRN COCCOc1ccc(Br)cc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000486079469 901270127 /nfs/dbraw/zinc/27/01/27/901270127.db2.gz XKFUISVDSFVCPW-UHFFFAOYSA-N 0 0 411.252 4.003 20 5 HIBDRN O=C(c1cccc(I)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486090964 901280315 /nfs/dbraw/zinc/28/03/15/901280315.db2.gz ALVHDQDIVBCXAF-UHFFFAOYSA-N 0 0 422.222 4.004 20 5 HIBDRN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486118583 901305031 /nfs/dbraw/zinc/30/50/31/901305031.db2.gz TYUPHSDGPJBCQS-AAEUAGOBSA-N 0 0 411.277 4.069 20 5 HIBDRN COc1cc(Br)ccc1CCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000486156419 901344936 /nfs/dbraw/zinc/34/49/36/901344936.db2.gz RJNOBVGQGZEBIE-UHFFFAOYSA-N 0 0 407.264 4.037 20 5 HIBDRN CCCCO[C@@H]1C[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1(C)C ZINC000486161453 901348901 /nfs/dbraw/zinc/34/89/01/901348901.db2.gz FFFYNQIXHGTDAA-GHMZBOCLSA-N 0 0 405.314 4.132 20 5 HIBDRN Cc1csc(-c2ccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)cc2)n1 ZINC000486165404 901353235 /nfs/dbraw/zinc/35/32/35/901353235.db2.gz NKNZEBSCRBZLLF-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CCCCCn1nc(C)cc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486177951 901364547 /nfs/dbraw/zinc/36/45/47/901364547.db2.gz MEUUPYLRFPQKBM-UHFFFAOYSA-N 0 0 401.286 4.366 20 5 HIBDRN O=C(NCc1ccc(OCCO)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000486207092 901390508 /nfs/dbraw/zinc/39/05/08/901390508.db2.gz MQDPFFZPDYVJRY-UHFFFAOYSA-N 0 0 424.478 4.047 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)c1[N+](=O)[O-] ZINC000486211146 901395095 /nfs/dbraw/zinc/39/50/95/901395095.db2.gz RXDGQXQVMULUQE-OAHLLOKOSA-N 0 0 403.479 4.163 20 5 HIBDRN O=C(Cc1ccc(F)cc1Br)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000486212256 901396238 /nfs/dbraw/zinc/39/62/38/901396238.db2.gz HYMZCUCNEXDAHU-UHFFFAOYSA-N 0 0 409.255 4.178 20 5 HIBDRN Cc1sc(NC(=O)c2c(N)cccc2[N+](=O)[O-])nc1-c1c(F)cc(F)cc1F ZINC000486226600 901410312 /nfs/dbraw/zinc/41/03/12/901410312.db2.gz NRXZNORENADNMC-UHFFFAOYSA-N 0 0 408.361 4.279 20 5 HIBDRN CSc1cccc(C(=O)N(C)Cc2csc(Br)c2)c1[N+](=O)[O-] ZINC000486257761 901441014 /nfs/dbraw/zinc/44/10/14/901441014.db2.gz VCNQOWJMGJCVAY-UHFFFAOYSA-N 0 0 401.307 4.413 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccc(C)s2)[nH]n1 ZINC000486269965 901453228 /nfs/dbraw/zinc/45/32/28/901453228.db2.gz KXVJBWDITDKNEH-UHFFFAOYSA-N 0 0 418.500 4.346 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000486298251 901479436 /nfs/dbraw/zinc/47/94/36/901479436.db2.gz ZAGJBGAATJVQTA-AWEZNQCLSA-N 0 0 401.772 4.394 20 5 HIBDRN CC(C)Cn1nccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000486337842 901513416 /nfs/dbraw/zinc/51/34/16/901513416.db2.gz MOBGLFICZUHTCH-UHFFFAOYSA-N 0 0 402.398 4.197 20 5 HIBDRN CC1(C)CC(=O)c2cc(NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)ccc2O1 ZINC000486386486 901550377 /nfs/dbraw/zinc/55/03/77/901550377.db2.gz HWJKWKUFPJHEJA-UHFFFAOYSA-N 0 0 403.822 4.314 20 5 HIBDRN CCc1c(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])cnn1-c1ccccc1Cl ZINC000486405713 901567082 /nfs/dbraw/zinc/56/70/82/901567082.db2.gz QWGZTHGBLIOEAJ-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486415671 901574681 /nfs/dbraw/zinc/57/46/81/901574681.db2.gz YPNWXGWMPRRTDT-GFCCVEGCSA-N 0 0 402.401 4.224 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(NCC(F)(F)F)s2)c(Br)c1 ZINC000486429399 901588735 /nfs/dbraw/zinc/58/87/35/901588735.db2.gz GSZPOBNLHWEHPW-UHFFFAOYSA-N 0 0 415.216 4.334 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000486431992 901591539 /nfs/dbraw/zinc/59/15/39/901591539.db2.gz DPXGKAIKOZEZMX-KUHUBIRLSA-N 0 0 405.857 4.119 20 5 HIBDRN CSc1cccc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000486431738 901591776 /nfs/dbraw/zinc/59/17/76/901591776.db2.gz JEDLEALAZDVKLD-KRWDZBQOSA-N 0 0 400.500 4.181 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000486473444 901634622 /nfs/dbraw/zinc/63/46/22/901634622.db2.gz VSCSCWZXFINIBT-SECBINFHSA-N 0 0 402.398 4.381 20 5 HIBDRN CC(C)([C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000486555616 901701599 /nfs/dbraw/zinc/70/15/99/901701599.db2.gz JLQIMNQEYXRKRB-KRWDZBQOSA-N 0 0 409.458 4.280 20 5 HIBDRN Cc1cc(C)c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1Br ZINC000486596248 901733918 /nfs/dbraw/zinc/73/39/18/901733918.db2.gz BUTYIAVJQXHJMV-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000486638820 901768849 /nfs/dbraw/zinc/76/88/49/901768849.db2.gz IDVQPMFJGZRIJI-IUCAKERBSA-N 0 0 405.423 4.428 20 5 HIBDRN CCN(CC)C(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000486675202 901789144 /nfs/dbraw/zinc/78/91/44/901789144.db2.gz KDMQBOPZTRWANH-UHFFFAOYSA-N 0 0 421.563 4.064 20 5 HIBDRN COc1cc(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc(OC)c1C(C)C ZINC000486692736 901797486 /nfs/dbraw/zinc/79/74/86/901797486.db2.gz AWIMAWQVZRLFRN-UHFFFAOYSA-N 0 0 424.457 4.444 20 5 HIBDRN COC(=O)COc1ccc(CNc2cnn(-c3ccccc3)c2C(C)C)cc1[N+](=O)[O-] ZINC000486696424 901800108 /nfs/dbraw/zinc/80/01/08/901800108.db2.gz IZUONLCPDANERW-UHFFFAOYSA-N 0 0 424.457 4.068 20 5 HIBDRN CCO[C@H](C)c1nc(CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cs1 ZINC000486702395 901802781 /nfs/dbraw/zinc/80/27/81/901802781.db2.gz 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Cc1ccc([C@@H](C)NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000488007520 902527154 /nfs/dbraw/zinc/52/71/54/902527154.db2.gz ISNVNUSQIFUCCJ-CYBMUJFWSA-N 0 0 414.849 4.417 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000488014011 902534873 /nfs/dbraw/zinc/53/48/73/902534873.db2.gz MPNCNMYTXATWRD-UHFFFAOYSA-N 0 0 416.840 4.179 20 5 HIBDRN CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000488037250 902556330 /nfs/dbraw/zinc/55/63/30/902556330.db2.gz DKISEZBKISOAQL-FZKQIMNGSA-N 0 0 403.866 4.001 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)CCCc2nc(-c3cccs3)no2)cc1[N+](=O)[O-] ZINC000488042775 902559893 /nfs/dbraw/zinc/55/98/93/902559893.db2.gz PGGWVKKRLZIJBQ-CYBMUJFWSA-N 0 0 400.460 4.215 20 5 HIBDRN COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Br ZINC000488045006 902560697 /nfs/dbraw/zinc/56/06/97/902560697.db2.gz SYDFZFPOVLUPKG-ZDUSSCGKSA-N 0 0 421.291 4.484 20 5 HIBDRN COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488046335 902562301 /nfs/dbraw/zinc/56/23/01/902562301.db2.gz TZSQBLWWVQTVMP-HNNXBMFYSA-N 0 0 414.458 4.151 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000488055418 902569537 /nfs/dbraw/zinc/56/95/37/902569537.db2.gz ITUKLWZEWMQBGS-OAHLLOKOSA-N 0 0 423.448 4.320 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc(CSc3nccn3C)o2)cc1[N+](=O)[O-] ZINC000488057037 902571518 /nfs/dbraw/zinc/57/15/18/902571518.db2.gz LTEKNPKGUVNQPO-ZDUSSCGKSA-N 0 0 400.460 4.013 20 5 HIBDRN CC(C)(NC(=O)NCC1(c2ccc(F)cc2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000488059078 902572478 /nfs/dbraw/zinc/57/24/78/902572478.db2.gz FPZHOOYKHZTORW-UHFFFAOYSA-N 0 0 415.465 4.017 20 5 HIBDRN Cc1noc(CSc2ccccc2C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000488059039 902573061 /nfs/dbraw/zinc/57/30/61/902573061.db2.gz FMRFVZGZVYHAQB-ZDUSSCGKSA-N 0 0 412.471 4.378 20 5 HIBDRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488058826 902573143 /nfs/dbraw/zinc/57/31/43/902573143.db2.gz RJFCPYKQLKSXDQ-MMOPVJDHSA-N 0 0 403.523 4.012 20 5 HIBDRN Cc1ccc(I)c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000488073773 902583981 /nfs/dbraw/zinc/58/39/81/902583981.db2.gz XTHLFBVBOAGMSO-LBPRGKRZSA-N 0 0 424.238 4.307 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000488090971 902594747 /nfs/dbraw/zinc/59/47/47/902594747.db2.gz LVUIIILEZINJEL-QUCCMNQESA-N 0 0 423.513 4.250 20 5 HIBDRN NC(=O)c1cc(Oc2cccc(Oc3c4ccccc4ncc3[N+](=O)[O-])c2)ccn1 ZINC000488096309 902600747 /nfs/dbraw/zinc/60/07/47/902600747.db2.gz LOSCIQNOBKHZRI-UHFFFAOYSA-N 0 0 402.366 4.222 20 5 HIBDRN CC[C@H](C(=O)N1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000488117067 902617311 /nfs/dbraw/zinc/61/73/11/902617311.db2.gz YCOOHGHASNYXAE-IBGZPJMESA-N 0 0 418.497 4.162 20 5 HIBDRN CC(C)(NC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000488143193 902637537 /nfs/dbraw/zinc/63/75/37/902637537.db2.gz UKWBVZPBBDVXNM-UHFFFAOYSA-N 0 0 411.380 4.270 20 5 HIBDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000488147680 902641592 /nfs/dbraw/zinc/64/15/92/902641592.db2.gz JXERRWHZOWGWQG-UHFFFAOYSA-N 0 0 401.772 4.461 20 5 HIBDRN COC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000488149872 902643223 /nfs/dbraw/zinc/64/32/23/902643223.db2.gz MHHRCADMIHYQLM-NHYWBVRUSA-N 0 0 413.257 4.173 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(NCc3c(Cl)cccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000488205007 902687347 /nfs/dbraw/zinc/68/73/47/902687347.db2.gz YMVNKIWPXVNISW-KBPBESRZSA-N 0 0 403.866 4.110 20 5 HIBDRN Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1C(=O)N(C)C(C)C ZINC000488224114 902704964 /nfs/dbraw/zinc/70/49/64/902704964.db2.gz BQMUNVXMLGCNJH-UHFFFAOYSA-N 0 0 401.488 4.114 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccsc3)nn2C)cc1SC ZINC000488252950 902727761 /nfs/dbraw/zinc/72/77/61/902727761.db2.gz OPSBCSXHUHRTJT-UHFFFAOYSA-N 0 0 404.473 4.040 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(OCC2CCCC2)CC1 ZINC000488330180 902768213 /nfs/dbraw/zinc/76/82/13/902768213.db2.gz PJQKCLDYSGMEDD-UHFFFAOYSA-N 0 0 409.914 4.172 20 5 HIBDRN NC(=O)c1ccc(SCC(=O)N2CCC[C@@H]2CCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000488333932 902770951 /nfs/dbraw/zinc/77/09/51/902770951.db2.gz PKQHZLCZJYOXSP-QGZVFWFLSA-N 0 0 419.547 4.137 20 5 HIBDRN NC(=O)c1ccc(SCC(=O)N2CCC[C@H]2CCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000488333930 902771135 /nfs/dbraw/zinc/77/11/35/902771135.db2.gz PKQHZLCZJYOXSP-KRWDZBQOSA-N 0 0 419.547 4.137 20 5 HIBDRN C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000488372397 902785366 /nfs/dbraw/zinc/78/53/66/902785366.db2.gz ORSPAQWBYHZCOW-YVEFUNNKSA-N 0 0 409.895 4.024 20 5 HIBDRN C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000488380740 902790206 /nfs/dbraw/zinc/79/02/06/902790206.db2.gz CTWWRQNZGXSVDP-DJJJIMSYSA-N 0 0 421.856 4.101 20 5 HIBDRN CC[C@@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])Oc1cccc(C)c1 ZINC000488384823 902795417 /nfs/dbraw/zinc/79/54/17/902795417.db2.gz KGDDLZGUULPRKU-AWEZNQCLSA-N 0 0 404.488 4.221 20 5 HIBDRN CC[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Oc1cccc(C)c1 ZINC000488394377 902804022 /nfs/dbraw/zinc/80/40/22/902804022.db2.gz FKHDMARWYBEAPV-LJQANCHMSA-N 0 0 414.505 4.437 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(N)=O)ccc1Cl ZINC000488403654 902810433 /nfs/dbraw/zinc/81/04/33/902810433.db2.gz CNIWWAGHCDVWGF-UHFFFAOYSA-N 0 0 407.879 4.348 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000488423399 902820332 /nfs/dbraw/zinc/82/03/32/902820332.db2.gz WLCJQSOXLJLTKJ-UHFFFAOYSA-N 0 0 424.862 4.026 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000488480896 902847872 /nfs/dbraw/zinc/84/78/72/902847872.db2.gz JHJVFDCIRNKMAJ-UHFFFAOYSA-N 0 0 401.488 4.487 20 5 HIBDRN COCC1(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CCOCC1 ZINC000488506367 902860764 /nfs/dbraw/zinc/86/07/64/902860764.db2.gz OGDCQEFCYAHYSW-UHFFFAOYSA-N 0 0 413.474 4.011 20 5 HIBDRN COc1ccc(NC(=O)N[C@H]2CSc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000488559844 902884510 /nfs/dbraw/zinc/88/45/10/902884510.db2.gz ODYDTMNMTIFKBI-LBPRGKRZSA-N 0 0 424.276 4.334 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(-c3ccccc3)cc2F)s1 ZINC000488669135 902930302 /nfs/dbraw/zinc/93/03/02/902930302.db2.gz CBBSVKNTYAMCPF-UHFFFAOYSA-N 0 0 406.460 4.478 20 5 HIBDRN CC(C)Oc1ccc(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000488804348 903010655 /nfs/dbraw/zinc/01/06/55/903010655.db2.gz BNPNAWAREMGWGX-FQEVSTJZSA-N 0 0 417.849 4.003 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3sccc3C)o2)c([N+](=O)[O-])c1 ZINC000488817068 903020447 /nfs/dbraw/zinc/02/04/47/903020447.db2.gz DLSHJKFVFUIXHE-JTQLQIEISA-N 0 0 420.472 4.143 20 5 HIBDRN Cc1c(CS(=O)(=O)Cc2cc(F)c(C(F)(F)F)cc2F)cccc1[N+](=O)[O-] ZINC000488825483 903027070 /nfs/dbraw/zinc/02/70/70/903027070.db2.gz IDGLTWZSJUBOKE-UHFFFAOYSA-N 0 0 409.332 4.315 20 5 HIBDRN Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488899858 903067513 /nfs/dbraw/zinc/06/75/13/903067513.db2.gz QEKQINKPKSXTPB-UHFFFAOYSA-N 0 0 415.494 4.284 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C)cc1 ZINC000488930447 903082531 /nfs/dbraw/zinc/08/25/31/903082531.db2.gz LXVYPWDCDJWZBJ-CQSZACIVSA-N 0 0 411.487 4.301 20 5 HIBDRN C[C@H](Cc1c(F)cccc1F)NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000488938498 903086918 /nfs/dbraw/zinc/08/69/18/903086918.db2.gz RUQDCBALLIOZMM-SNVBAGLBSA-N 0 0 418.318 4.018 20 5 HIBDRN CC[C@@H](C)[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000489038588 903143043 /nfs/dbraw/zinc/14/30/43/903143043.db2.gz HZFYBSDVVZZUSS-PRHODGIISA-N 0 0 401.307 4.390 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCOC2(CCCCC2)C1 ZINC000489049439 903154370 /nfs/dbraw/zinc/15/43/70/903154370.db2.gz VRBPSHJYJJFZSF-SFHVURJKSA-N 0 0 404.510 4.153 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000489060127 903162962 /nfs/dbraw/zinc/16/29/62/903162962.db2.gz AGCLBMIUZCXNIJ-UHFFFAOYSA-N 0 0 418.515 4.393 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCOC4(CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000489067332 903168812 /nfs/dbraw/zinc/16/88/12/903168812.db2.gz DTCRAVRMNYYBKL-AEFFLSMTSA-N 0 0 401.507 4.053 20 5 HIBDRN O=C(NCc1ccc(F)cc1Br)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489078814 903179676 /nfs/dbraw/zinc/17/96/76/903179676.db2.gz WNUVYJLJGYDLBV-UHFFFAOYSA-N 0 0 422.254 4.371 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)o2)cs1 ZINC000489130708 903220508 /nfs/dbraw/zinc/22/05/08/903220508.db2.gz CQGKHIWJMGFYLG-LBPRGKRZSA-N 0 0 400.460 4.489 20 5 HIBDRN COc1ccc(C(C)(C)CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000489138753 903226118 /nfs/dbraw/zinc/22/61/18/903226118.db2.gz MABQRIPKVHXEPX-OAHLLOKOSA-N 0 0 415.490 4.258 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000489167864 903239658 /nfs/dbraw/zinc/23/96/58/903239658.db2.gz AQXWWUGEADUTMV-UHFFFAOYSA-N 0 0 412.471 4.080 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)Cc1ccccc1 ZINC000489176625 903245894 /nfs/dbraw/zinc/24/58/94/903245894.db2.gz FRGKIVXPDMEDKZ-UHFFFAOYSA-N 0 0 402.516 4.332 20 5 HIBDRN COc1ccc(NC(=O)CCSc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000506020729 914699400 /nfs/dbraw/zinc/69/94/00/914699400.db2.gz AQFBFBHDKZYUDE-UHFFFAOYSA-N 0 0 411.277 4.487 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(Cc2ccccc2)CC1 ZINC000489255655 903292749 /nfs/dbraw/zinc/29/27/49/903292749.db2.gz QPJVZMSVOPSLJJ-UHFFFAOYSA-N 0 0 400.500 4.086 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2cc(F)cc(Br)c2)cc1[N+](=O)[O-] ZINC000489268764 903296815 /nfs/dbraw/zinc/29/68/15/903296815.db2.gz VYKZEGJNGPVMQE-LLVKDONJSA-N 0 0 410.243 4.365 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000489280639 903304333 /nfs/dbraw/zinc/30/43/33/903304333.db2.gz ZMUIGDISMDPPCH-SFHVURJKSA-N 0 0 419.428 4.458 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2ccccc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000489285643 903308324 /nfs/dbraw/zinc/30/83/24/903308324.db2.gz HJZXWMSVYSQPGP-ZDUSSCGKSA-N 0 0 411.380 4.405 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000489313979 903326679 /nfs/dbraw/zinc/32/66/79/903326679.db2.gz NEBBGKHKVHHTQB-UHFFFAOYSA-N 0 0 406.229 4.054 20 5 HIBDRN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000489354550 903343363 /nfs/dbraw/zinc/34/33/63/903343363.db2.gz NDSDVDOYQYNYKS-UHFFFAOYSA-N 0 0 418.196 4.481 20 5 HIBDRN C[C@@H](Sc1nnc(-c2cnccn2)n1Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000489413849 903372597 /nfs/dbraw/zinc/37/25/97/903372597.db2.gz YMOBKOHCBSPKCO-CYBMUJFWSA-N 0 0 408.443 4.138 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCSC[C@H](C)C2)cc1 ZINC000489477580 903408789 /nfs/dbraw/zinc/40/87/89/903408789.db2.gz JHOIEOHFHUSNSL-CQSZACIVSA-N 0 0 402.472 4.221 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1COc2ccc(Cl)cc21 ZINC000489518639 903433951 /nfs/dbraw/zinc/43/39/51/903433951.db2.gz SUXNKVICLKCOLF-AWEZNQCLSA-N 0 0 401.831 4.486 20 5 HIBDRN CCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000506033981 914717403 /nfs/dbraw/zinc/71/74/03/914717403.db2.gz WUWNIYRHYOLJEW-FQEVSTJZSA-N 0 0 424.501 4.041 20 5 HIBDRN COCCCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000489546366 903455866 /nfs/dbraw/zinc/45/58/66/903455866.db2.gz HRBXSADXGUPBSE-UHFFFAOYSA-N 0 0 410.536 4.001 20 5 HIBDRN Cn1cc(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489631133 903508137 /nfs/dbraw/zinc/50/81/37/903508137.db2.gz HJPAWCBPNIASGN-OALUTQOASA-N 0 0 404.470 4.452 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000489642163 903511763 /nfs/dbraw/zinc/51/17/63/903511763.db2.gz GPGLJTITSFSZCR-UHFFFAOYSA-N 0 0 400.826 4.026 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000489757628 903584097 /nfs/dbraw/zinc/58/40/97/903584097.db2.gz GPIWFHSJKYJTRE-UHFFFAOYSA-N 0 0 420.425 4.005 20 5 HIBDRN CCCOc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000489874503 903645785 /nfs/dbraw/zinc/64/57/85/903645785.db2.gz PNRNDOPUHOZWEE-HNNXBMFYSA-N 0 0 401.463 4.261 20 5 HIBDRN CC(C)(NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000489905253 903664675 /nfs/dbraw/zinc/66/46/75/903664675.db2.gz FQZYLXOPQNXEQV-SJLPKXTDSA-N 0 0 421.856 4.452 20 5 HIBDRN O=C(NC[C@@H]1SCCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489912754 903670220 /nfs/dbraw/zinc/67/02/20/903670220.db2.gz ADFLYMXRJKFJAR-INIZCTEOSA-N 0 0 409.414 4.348 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000489973785 903706163 /nfs/dbraw/zinc/70/61/63/903706163.db2.gz SGGMQTJMTDZWTE-OAHLLOKOSA-N 0 0 415.490 4.025 20 5 HIBDRN O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000489977809 903708982 /nfs/dbraw/zinc/70/89/82/903708982.db2.gz CDVQSADKZFFMQS-UHFFFAOYSA-N 0 0 422.466 4.350 20 5 HIBDRN Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000489995689 903715968 /nfs/dbraw/zinc/71/59/68/903715968.db2.gz IVGUXRZLGBFHAE-UHFFFAOYSA-N 0 0 420.347 4.032 20 5 HIBDRN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000490044659 903740203 /nfs/dbraw/zinc/74/02/03/903740203.db2.gz MKZYFYSFJMZQQI-SSDOTTSWSA-N 0 0 408.789 4.013 20 5 HIBDRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000490066374 903757568 /nfs/dbraw/zinc/75/75/68/903757568.db2.gz YFKDGKKLGSYKBM-UHFFFAOYSA-N 0 0 416.890 4.151 20 5 HIBDRN C[C@@H](N[C@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000490077000 903760709 /nfs/dbraw/zinc/76/07/09/903760709.db2.gz CTEJMBVEIAHOCV-HTQZYQBOSA-N 0 0 422.816 4.401 20 5 HIBDRN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000490077001 903761538 /nfs/dbraw/zinc/76/15/38/903761538.db2.gz CTEJMBVEIAHOCV-JGVFFNPUSA-N 0 0 422.816 4.401 20 5 HIBDRN O=C(NC[C@H](CO)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000490142840 903789526 /nfs/dbraw/zinc/78/95/26/903789526.db2.gz POSMINMEDOYSCZ-GOSISDBHSA-N 0 0 422.506 4.327 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000490145986 903791504 /nfs/dbraw/zinc/79/15/04/903791504.db2.gz NMHDRDPIANFNNH-QHCPKHFHSA-N 0 0 423.513 4.322 20 5 HIBDRN COc1cc([C@@H](C)N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000490168608 903806439 /nfs/dbraw/zinc/80/64/39/903806439.db2.gz XWHOFBZYZTUBTO-MZNJEOGPSA-N 0 0 422.481 4.415 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2cc([C@H]3C[C@@H]3C)[nH]n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000490264419 903862991 /nfs/dbraw/zinc/86/29/91/903862991.db2.gz XCWDHOLBJNBOBJ-YDHLFZDLSA-N 0 0 406.446 4.262 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000490289781 903879006 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0 0 414.355 4.084 20 5 HIBDRN COc1cc(CNc2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490404812 903989450 /nfs/dbraw/zinc/98/94/50/903989450.db2.gz TWJIOVQFNJNVIL-UHFFFAOYSA-N 0 0 421.400 4.208 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1O ZINC000490536405 904085022 /nfs/dbraw/zinc/08/50/22/904085022.db2.gz AEQIEBGYZDXLEI-UHFFFAOYSA-N 0 0 404.488 4.329 20 5 HIBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Nc2ccccc2)c1 ZINC000490562947 904101652 /nfs/dbraw/zinc/10/16/52/904101652.db2.gz ILKOSNMBLGCVDA-UHFFFAOYSA-N 0 0 404.426 4.097 20 5 HIBDRN O=C(NC1(c2ccc(F)cc2)CCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000490624658 904143943 /nfs/dbraw/zinc/14/39/43/904143943.db2.gz IPOKKFFZHSHEKA-UHFFFAOYSA-N 0 0 412.339 4.188 20 5 HIBDRN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000490757233 904212423 /nfs/dbraw/zinc/21/24/23/904212423.db2.gz JMXJWCOJSGXWNB-HNNXBMFYSA-N 0 0 414.792 4.309 20 5 HIBDRN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000490757235 904212828 /nfs/dbraw/zinc/21/28/28/904212828.db2.gz JMXJWCOJSGXWNB-OAHLLOKOSA-N 0 0 414.792 4.309 20 5 HIBDRN CCOC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000490852350 904287578 /nfs/dbraw/zinc/28/75/78/904287578.db2.gz FGVVMYFEOBUUDD-OAHLLOKOSA-N 0 0 417.893 4.359 20 5 HIBDRN O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000490874384 904298810 /nfs/dbraw/zinc/29/88/10/904298810.db2.gz FEUVWPTVGOMEQO-INIZCTEOSA-N 0 0 418.375 4.247 20 5 HIBDRN Cn1cc(C(=O)NCCc2ccc(Cl)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506110802 914807999 /nfs/dbraw/zinc/80/79/99/914807999.db2.gz AOBMXIUBINVFSW-UHFFFAOYSA-N 0 0 419.268 4.275 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000490989068 904353899 /nfs/dbraw/zinc/35/38/99/904353899.db2.gz NSMIXZZWTKRKQK-UHFFFAOYSA-N 0 0 400.407 4.074 20 5 HIBDRN Cc1c(NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cccc1[N+](=O)[O-] ZINC000506098866 914802968 /nfs/dbraw/zinc/80/29/68/914802968.db2.gz KZFKJXOVJIYDLT-GFCCVEGCSA-N 0 0 408.241 4.202 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000491004096 904364205 /nfs/dbraw/zinc/36/42/05/904364205.db2.gz RNTYBOSQZZDGDS-UHFFFAOYSA-N 0 0 421.240 4.320 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cc(Br)ccc1F ZINC000506117415 914809715 /nfs/dbraw/zinc/80/97/15/914809715.db2.gz GSRAFFOMNLXRIB-UHFFFAOYSA-N 0 0 401.619 4.388 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)cc1[N+](=O)[O-] ZINC000491205993 904482056 /nfs/dbraw/zinc/48/20/56/904482056.db2.gz RXMMQQCKUDLARD-UHFFFAOYSA-N 0 0 408.501 4.242 20 5 HIBDRN COc1c(C)cc(CN(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC000506130669 914815917 /nfs/dbraw/zinc/81/59/17/914815917.db2.gz DHWLVFRUWMEKLN-AWEZNQCLSA-N 0 0 406.866 4.300 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCCN[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000491328531 904539767 /nfs/dbraw/zinc/53/97/67/904539767.db2.gz IJFYMKGWIIYUDG-HNNXBMFYSA-N 0 0 406.307 4.468 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1-n1cccn1 ZINC000491373841 904564146 /nfs/dbraw/zinc/56/41/46/904564146.db2.gz KFFZAQVCAWGYSS-INIZCTEOSA-N 0 0 405.458 4.216 20 5 HIBDRN CC(C)(NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000491479441 904615658 /nfs/dbraw/zinc/61/56/58/904615658.db2.gz AXUPJPRSYDKWKH-UHFFFAOYSA-N 0 0 420.256 4.147 20 5 HIBDRN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000491562617 904652203 /nfs/dbraw/zinc/65/22/03/904652203.db2.gz FPMZTKIKXRYHPH-GOSISDBHSA-N 0 0 403.866 4.351 20 5 HIBDRN O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000491863265 904714031 /nfs/dbraw/zinc/71/40/31/904714031.db2.gz ISYZQVYXKJFRKC-SFHVURJKSA-N 0 0 409.486 4.429 20 5 HIBDRN CCOc1cc(NC(=O)NC(C)(C)c2ccccc2OC)c([N+](=O)[O-])cc1OCC ZINC000491862439 904714605 /nfs/dbraw/zinc/71/46/05/904714605.db2.gz GNSXTYDFPPCTQE-UHFFFAOYSA-N 0 0 417.462 4.458 20 5 HIBDRN CC(C)(C)OC(=O)CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000491973996 904747107 /nfs/dbraw/zinc/74/71/07/904747107.db2.gz APQYWRSXTONGKR-UHFFFAOYSA-N 0 0 401.419 4.240 20 5 HIBDRN COc1cc(CNc2ccc(N3CCCCC3)cn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492049777 904776693 /nfs/dbraw/zinc/77/66/93/904776693.db2.gz YAKAPMQRRRIUCS-UHFFFAOYSA-N 0 0 422.432 4.245 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000506199376 914843144 /nfs/dbraw/zinc/84/31/44/914843144.db2.gz HTBOEPWKTWYNLD-IBGZPJMESA-N 0 0 410.499 4.420 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000492137940 904803966 /nfs/dbraw/zinc/80/39/66/904803966.db2.gz BXGXJKLGUDWXKK-ZDUSSCGKSA-N 0 0 400.303 4.498 20 5 HIBDRN O=C(NCCc1cccc2[nH]ccc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000506205594 914844380 /nfs/dbraw/zinc/84/43/80/914844380.db2.gz HDSXQOCFOXIVOL-UHFFFAOYSA-N 0 0 417.415 4.413 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2CC)cc1[N+](=O)[O-] ZINC000506225284 914852050 /nfs/dbraw/zinc/85/20/50/914852050.db2.gz WBWVUPCCMKNZJC-SFHVURJKSA-N 0 0 408.458 4.340 20 5 HIBDRN COc1cc(CN2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)ccc1[N+](=O)[O-] ZINC000492849780 904924942 /nfs/dbraw/zinc/92/49/42/904924942.db2.gz DDMFVGMAONPPAT-NRFANRHFSA-N 0 0 419.481 4.151 20 5 HIBDRN CC[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493032512 904993532 /nfs/dbraw/zinc/99/35/32/904993532.db2.gz KRSOTSNUVLNHJV-QGZVFWFLSA-N 0 0 422.938 4.288 20 5 HIBDRN O=[N+]([O-])c1cccc([C@H](NCc2cc(F)ccc2N2CCOCC2)c2ccccc2)c1 ZINC000493083651 905015081 /nfs/dbraw/zinc/01/50/81/905015081.db2.gz XNKGPULIAFFRIZ-XMMPIXPASA-N 0 0 421.472 4.450 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC(OCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000493109331 905021862 /nfs/dbraw/zinc/02/18/62/905021862.db2.gz ZLWGKJPHYFSBCZ-SFHVURJKSA-N 0 0 411.502 4.398 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000493159781 905037369 /nfs/dbraw/zinc/03/73/69/905037369.db2.gz 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/nfs/dbraw/zinc/98/45/79/930984579.db2.gz FXPQKMAINQMSCW-UHFFFAOYSA-N 0 0 400.431 4.221 20 5 HIBDRN CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000531336419 931020852 /nfs/dbraw/zinc/02/08/52/931020852.db2.gz LTNBQEPULKEVDF-FQEVSTJZSA-N 0 0 400.478 4.038 20 5 HIBDRN COc1cc(CN(C)Cc2nc3c(s2)CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000531342980 931023961 /nfs/dbraw/zinc/02/39/61/931023961.db2.gz GBAGZCVQOZHTGU-UHFFFAOYSA-N 0 0 413.446 4.172 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)n1 ZINC000531483084 931073078 /nfs/dbraw/zinc/07/30/78/931073078.db2.gz HDYGHTZBHSLILU-UHFFFAOYSA-N 0 0 401.426 4.127 20 5 HIBDRN COc1cc(C)c(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1OC ZINC000531505349 931082804 /nfs/dbraw/zinc/08/28/04/931082804.db2.gz SCSIFMWSLAOLFG-UHFFFAOYSA-N 0 0 412.364 4.125 20 5 HIBDRN C[C@@H](Cc1nc2ccccc2s1)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000531674876 931146870 /nfs/dbraw/zinc/14/68/70/931146870.db2.gz KHGOQUQOACLDRP-LBPRGKRZSA-N 0 0 419.890 4.374 20 5 HIBDRN C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531890241 931235188 /nfs/dbraw/zinc/23/51/88/931235188.db2.gz QAECGWRTHYKHCV-SNVBAGLBSA-N 0 0 406.229 4.355 20 5 HIBDRN C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531890240 931235630 /nfs/dbraw/zinc/23/56/30/931235630.db2.gz QAECGWRTHYKHCV-JTQLQIEISA-N 0 0 406.229 4.355 20 5 HIBDRN O=C(NCc1cccc(Cn2cnc3ccccc32)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000531930637 931249649 /nfs/dbraw/zinc/24/96/49/931249649.db2.gz XMGMJICXWPPFJW-UHFFFAOYSA-N 0 0 401.426 4.315 20 5 HIBDRN O=C(NCCCOCC(F)(F)F)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000532009976 931283521 /nfs/dbraw/zinc/28/35/21/931283521.db2.gz JEOFWKDLEDGDJQ-UHFFFAOYSA-N 0 0 414.405 4.445 20 5 HIBDRN CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000532087284 931307368 /nfs/dbraw/zinc/30/73/68/931307368.db2.gz ZGMQTFMQOFXPJB-HNNXBMFYSA-N 0 0 416.739 4.353 20 5 HIBDRN CSc1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl ZINC000532108939 931316167 /nfs/dbraw/zinc/31/61/67/931316167.db2.gz HBEPWXRYACDZBB-UHFFFAOYSA-N 0 0 401.271 4.432 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000532134455 931325264 /nfs/dbraw/zinc/32/52/64/931325264.db2.gz UJYCMEWQAXIVHL-CQSZACIVSA-N 0 0 405.414 4.125 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2cccc(Br)c2C1 ZINC000532305182 931392501 /nfs/dbraw/zinc/39/25/01/931392501.db2.gz MZLPMTLNVLULRE-LBPRGKRZSA-N 0 0 421.316 4.423 20 5 HIBDRN CCN(C(C)=O)c1nc(COc2c(C)cc(Br)cc2[N+](=O)[O-])cs1 ZINC000532360896 931408698 /nfs/dbraw/zinc/40/86/98/931408698.db2.gz WBSWIJIDQKPRNU-UHFFFAOYSA-N 0 0 414.281 4.074 20 5 HIBDRN COc1ccc([C@@H](Cc2ccccc2C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1OC ZINC000532391244 931419714 /nfs/dbraw/zinc/41/97/14/931419714.db2.gz CQJIOHQFQRDUBB-HXUWFJFHSA-N 0 0 421.453 4.029 20 5 HIBDRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc([N+](=O)[O-])cn1 ZINC000532392547 931420568 /nfs/dbraw/zinc/42/05/68/931420568.db2.gz BFUHFVGNBCYSFJ-UHFFFAOYSA-N 0 0 418.331 4.126 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000532424394 931430475 /nfs/dbraw/zinc/43/04/75/931430475.db2.gz AFPSUGPMAVCWEW-UHFFFAOYSA-N 0 0 420.343 4.272 20 5 HIBDRN Cc1nn(CCC(=O)N(Cc2ccccc2F)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000532504573 931465795 /nfs/dbraw/zinc/46/57/95/931465795.db2.gz PXLRLLMRKUEZJB-UHFFFAOYSA-N 0 0 402.470 4.299 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000532545530 931517316 /nfs/dbraw/zinc/51/73/16/931517316.db2.gz ITSRQNPUULNCQO-YJYMSZOUSA-N 0 0 421.856 4.096 20 5 HIBDRN COc1ccc(Br)cc1CN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000532550185 931518919 /nfs/dbraw/zinc/51/89/19/931518919.db2.gz XBRXSQRFOJOXCQ-UHFFFAOYSA-N 0 0 421.291 4.302 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000532582765 931540609 /nfs/dbraw/zinc/54/06/09/931540609.db2.gz UXRCTGGZVNFYNA-JTQLQIEISA-N 0 0 413.318 4.047 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000532694778 931589256 /nfs/dbraw/zinc/58/92/56/931589256.db2.gz PFGZZTLUDYCMNV-AWEZNQCLSA-N 0 0 413.865 4.181 20 5 HIBDRN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000532817160 931638521 /nfs/dbraw/zinc/63/85/21/931638521.db2.gz ZGQIKLFPPRSQGP-ZCNNSNEGSA-N 0 0 410.495 4.433 20 5 HIBDRN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000532817153 931638754 /nfs/dbraw/zinc/63/87/54/931638754.db2.gz ZGQIKLFPPRSQGP-AQNXPRMDSA-N 0 0 410.495 4.433 20 5 HIBDRN CN(C(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1cccc([N+](=O)[O-])c1 ZINC000532825441 931643055 /nfs/dbraw/zinc/64/30/55/931643055.db2.gz PATVBOXGJDZNBI-UHFFFAOYSA-N 0 0 417.465 4.263 20 5 HIBDRN CCOC(=O)c1ccnc(N(Cc2ccccn2)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000532859224 931669489 /nfs/dbraw/zinc/66/94/89/931669489.db2.gz VYACEBOMTIOPTC-UHFFFAOYSA-N 0 0 406.442 4.077 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N2CCC(OCC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000532969939 931720277 /nfs/dbraw/zinc/72/02/77/931720277.db2.gz LVJZCRBKRGGKIE-QGZVFWFLSA-N 0 0 403.523 4.292 20 5 HIBDRN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccccc21 ZINC000533006989 931733996 /nfs/dbraw/zinc/73/39/96/931733996.db2.gz AZAJOAGDIIDZET-LLVKDONJSA-N 0 0 400.378 4.316 20 5 HIBDRN C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccccc21 ZINC000533006990 931734041 /nfs/dbraw/zinc/73/40/41/931734041.db2.gz AZAJOAGDIIDZET-NSHDSACASA-N 0 0 400.378 4.316 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCC[C@H]([C@H](C)O)C3)cc2[N+](=O)[O-])cc1 ZINC000533015703 931736870 /nfs/dbraw/zinc/73/68/70/931736870.db2.gz RZTYXVXQVFNIGE-RDJZCZTQSA-N 0 0 400.500 4.287 20 5 HIBDRN C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000533019521 931737951 /nfs/dbraw/zinc/73/79/51/931737951.db2.gz SOFPXRPJRRASRH-IVZQSRNASA-N 0 0 423.469 4.131 20 5 HIBDRN Cc1ccc2c(c1)[nH]cc2C1=CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000533028725 931745333 /nfs/dbraw/zinc/74/53/33/931745333.db2.gz BHYWKLLECMTBJM-UHFFFAOYSA-N 0 0 416.481 4.063 20 5 HIBDRN Cc1c(CC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cccc1[N+](=O)[O-] ZINC000533040340 931749050 /nfs/dbraw/zinc/74/90/50/931749050.db2.gz KJFCHURPMXQYFS-UHFFFAOYSA-N 0 0 418.475 4.367 20 5 HIBDRN Cc1cc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)c2cnn(Cc3cccs3)c2n1 ZINC000533147108 931785738 /nfs/dbraw/zinc/78/57/38/931785738.db2.gz SVHKNZPJGUBTIG-UHFFFAOYSA-N 0 0 407.455 4.034 20 5 HIBDRN CN(C(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000533147737 931786354 /nfs/dbraw/zinc/78/63/54/931786354.db2.gz SLHHVIPOUPTOQS-UHFFFAOYSA-N 0 0 407.764 4.043 20 5 HIBDRN COc1cc(CNc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000533211987 931811051 /nfs/dbraw/zinc/81/10/51/931811051.db2.gz WEXIQVGKLDILAN-UHFFFAOYSA-N 0 0 422.363 4.342 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2C(=O)CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000533221393 931813606 /nfs/dbraw/zinc/81/36/06/931813606.db2.gz IOHBLFGFSWLCRG-NRFANRHFSA-N 0 0 411.502 4.179 20 5 HIBDRN Cc1cc(C)c(NC(=O)CCC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000533235661 931815800 /nfs/dbraw/zinc/81/58/00/931815800.db2.gz MSVFMDHROLFRDQ-UHFFFAOYSA-N 0 0 410.518 4.061 20 5 HIBDRN COc1ccc(NC(=O)CN(Cc2ccccc2C(F)(F)F)C2CC2)c([N+](=O)[O-])c1 ZINC000533240395 931816141 /nfs/dbraw/zinc/81/61/41/931816141.db2.gz BKNFOIRHSSQFCN-UHFFFAOYSA-N 0 0 423.391 4.225 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000533251165 931819250 /nfs/dbraw/zinc/81/92/50/931819250.db2.gz KLHRQCWYRKQSEI-LBPRGKRZSA-N 0 0 411.380 4.254 20 5 HIBDRN O=C(CN1CCC(OCC2CCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533291613 931830133 /nfs/dbraw/zinc/83/01/33/931830133.db2.gz PBMZFSLOHSPTEC-UHFFFAOYSA-N 0 0 409.914 4.248 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000533343322 931843036 /nfs/dbraw/zinc/84/30/36/931843036.db2.gz UNAATCYHOSPLHL-UHFFFAOYSA-N 0 0 403.523 4.043 20 5 HIBDRN Cc1c(NC(=O)CCN2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000533441413 931870094 /nfs/dbraw/zinc/87/00/94/931870094.db2.gz ALJRORNOZBXVDZ-XOBRGWDASA-N 0 0 417.893 4.347 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000533575521 931904709 /nfs/dbraw/zinc/90/47/09/931904709.db2.gz GVSUUQDZGXQHQE-LJQANCHMSA-N 0 0 419.275 4.054 20 5 HIBDRN CCc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000533654313 931949514 /nfs/dbraw/zinc/94/95/14/931949514.db2.gz RJOYJFVUYTXIRY-UHFFFAOYSA-N 0 0 403.438 4.340 20 5 HIBDRN CN1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000533680999 931967102 /nfs/dbraw/zinc/96/71/02/931967102.db2.gz JKEXEHJELWPIQB-NVXWUHKLSA-N 0 0 412.248 4.216 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000533688701 931971205 /nfs/dbraw/zinc/97/12/05/931971205.db2.gz JIWGNXMZRBTFLB-UHFFFAOYSA-N 0 0 411.439 4.235 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000533724557 931990993 /nfs/dbraw/zinc/99/09/93/931990993.db2.gz ZRGVPSIPYXPUBD-GFCCVEGCSA-N 0 0 405.476 4.088 20 5 HIBDRN C[C@H]1CCC[C@@H]1CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000533737781 932000307 /nfs/dbraw/zinc/00/03/07/932000307.db2.gz CLUVBZVJESFUFB-DZGCQCFKSA-N 0 0 413.440 4.382 20 5 HIBDRN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000533745798 932005538 /nfs/dbraw/zinc/00/55/38/932005538.db2.gz IHBSODXFIOQVDN-CRAIPNDOSA-N 0 0 424.526 4.425 20 5 HIBDRN COc1ccc(-c2nc(CN3CCc4c(cccc4[N+](=O)[O-])C3)cs2)cc1OC ZINC000533798471 932037328 /nfs/dbraw/zinc/03/73/28/932037328.db2.gz XZQBSMGOZGGFBU-UHFFFAOYSA-N 0 0 411.483 4.294 20 5 HIBDRN CC(C)(C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Br)cc1 ZINC000533862847 932068130 /nfs/dbraw/zinc/06/81/30/932068130.db2.gz CQEJJVPPFAHCCN-UHFFFAOYSA-N 0 0 403.276 4.220 20 5 HIBDRN CC[C@H](C[C@H](C)CO)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 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O=C(Nc1ccnc(Oc2ccccc2Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000562895643 945143799 /nfs/dbraw/zinc/14/37/99/945143799.db2.gz PBWNXVPCQHVYTC-UHFFFAOYSA-N 0 0 413.773 4.417 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Oc2cncc(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000562911139 945149437 /nfs/dbraw/zinc/14/94/37/945149437.db2.gz GERGIZMXAPRBTF-UHFFFAOYSA-N 0 0 400.394 4.414 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000537522965 938315519 /nfs/dbraw/zinc/31/55/19/938315519.db2.gz LHOIMFYOJPXLDP-UHFFFAOYSA-N 0 0 403.398 4.462 20 5 HIBDRN Cc1nnc([C@H]2CCCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)C2)[nH]1 ZINC000537563109 938325648 /nfs/dbraw/zinc/32/56/48/938325648.db2.gz YFXGCPKOMGVULQ-HNNXBMFYSA-N 0 0 422.445 4.225 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cc(OCC(F)F)ccn3)n2)cc1[N+](=O)[O-] ZINC000537572454 938327530 /nfs/dbraw/zinc/32/75/30/938327530.db2.gz CGHKNCXWMZRXLB-UHFFFAOYSA-N 0 0 420.397 4.318 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCCc2ccc(F)c(F)c21 ZINC000537690614 938355652 /nfs/dbraw/zinc/35/56/52/938355652.db2.gz CFWFCEFEVOUSNQ-UHFFFAOYSA-N 0 0 416.302 4.407 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCO[C@@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537690804 938355795 /nfs/dbraw/zinc/35/57/95/938355795.db2.gz KNLUXMJZMIJGKY-SWLSCSKDSA-N 0 0 420.849 4.346 20 5 HIBDRN CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)cc1C ZINC000537692792 938355929 /nfs/dbraw/zinc/35/59/29/938355929.db2.gz NKPIEARIESWXEE-UHFFFAOYSA-N 0 0 402.472 4.373 20 5 HIBDRN Cc1nn(CCC(=O)N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000537715184 938362019 /nfs/dbraw/zinc/36/20/19/938362019.db2.gz GULLEMRXQVISRF-AWEZNQCLSA-N 0 0 410.449 4.482 20 5 HIBDRN CS(=O)(=O)Nc1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000537722552 938363166 /nfs/dbraw/zinc/36/31/66/938363166.db2.gz UPMGXONZOXZVKQ-UHFFFAOYSA-N 0 0 421.862 4.492 20 5 HIBDRN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537732049 938365443 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408.458 4.392 20 5 HIBDRN CC(C)[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1nc(-c2ccncc2)no1 ZINC000537827168 938385150 /nfs/dbraw/zinc/38/51/50/938385150.db2.gz FOGYVBLSEUCEMK-OAHLLOKOSA-N 0 0 405.361 4.450 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000537843652 938388360 /nfs/dbraw/zinc/38/83/60/938388360.db2.gz RXINIEHXEFCVCP-UHFFFAOYSA-N 0 0 409.442 4.304 20 5 HIBDRN Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000537889213 938400820 /nfs/dbraw/zinc/40/08/20/938400820.db2.gz ZJJNTRZFOCTYJX-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(NCc1ccnc(N2CCCCCC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000537914709 938411118 /nfs/dbraw/zinc/41/11/18/938411118.db2.gz DCGISPYOFIJIPT-UHFFFAOYSA-N 0 0 422.407 4.319 20 5 HIBDRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)c3nn(C)cc3[N+](=O)[O-])cc2C)c1 ZINC000537924328 938415511 /nfs/dbraw/zinc/41/55/11/938415511.db2.gz GSEQMEMNVIZBNA-UHFFFAOYSA-N 0 0 422.485 4.105 20 5 HIBDRN CC[C@@H](CSC)N(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000538034249 938475483 /nfs/dbraw/zinc/47/54/83/938475483.db2.gz DFMKFTFNERLANQ-ZBFHGGJFSA-N 0 0 402.520 4.377 20 5 HIBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000538041083 938477869 /nfs/dbraw/zinc/47/78/69/938477869.db2.gz HTQIBJZWXFLAFZ-YVEFUNNKSA-N 0 0 407.264 4.172 20 5 HIBDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000538043229 938479247 /nfs/dbraw/zinc/47/92/47/938479247.db2.gz FMGYGKCZLVSNTI-YJYMSZOUSA-N 0 0 421.291 4.182 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000538051040 938484188 /nfs/dbraw/zinc/48/41/88/938484188.db2.gz ASLJBTHRNMOWCF-ICSRJNTNSA-N 0 0 417.824 4.058 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000538051538 938484714 /nfs/dbraw/zinc/48/47/14/938484714.db2.gz IVAFYBFFXCMBLA-CRAIPNDOSA-N 0 0 408.813 4.046 20 5 HIBDRN COCCOc1c(Cl)cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1Cl ZINC000538057000 938488916 /nfs/dbraw/zinc/48/89/16/938488916.db2.gz QHFWBLSSGKMFBK-UHFFFAOYSA-N 0 0 417.249 4.026 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(OC2CCCC2)c1 ZINC000538126643 938512580 /nfs/dbraw/zinc/51/25/80/938512580.db2.gz NUOBXZFBZOFANZ-OAHLLOKOSA-N 0 0 413.474 4.485 20 5 HIBDRN CCc1nn(C)c(N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1[N+](=O)[O-] ZINC000563325151 945181820 /nfs/dbraw/zinc/18/18/20/945181820.db2.gz XSUJWSLNUQEVQY-MRXNPFEDSA-N 0 0 412.412 4.489 20 5 HIBDRN Cn1cc(C(=O)NC[C@@]2(C)CCCc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538222657 938563688 /nfs/dbraw/zinc/56/36/88/938563688.db2.gz JJODOTRARIFNIX-HSZRJFAPSA-N 0 0 404.470 4.019 20 5 HIBDRN COc1cccc(COCCNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000538226545 938565653 /nfs/dbraw/zinc/56/56/53/938565653.db2.gz UIWHAKJFTOMSRY-UHFFFAOYSA-N 0 0 404.488 4.051 20 5 HIBDRN COc1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1OC ZINC000538235924 938568616 /nfs/dbraw/zinc/56/86/16/938568616.db2.gz UUWJIKMHQXZHTP-UHFFFAOYSA-N 0 0 404.488 4.085 20 5 HIBDRN CN(C(=O)C(=O)c1ccc2c(c1)CCC2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000538252316 938574550 /nfs/dbraw/zinc/57/45/50/938574550.db2.gz XSYJZWHEHPEWIV-UHFFFAOYSA-N 0 0 407.451 4.053 20 5 HIBDRN CN(C)c1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1F ZINC000538251973 938574690 /nfs/dbraw/zinc/57/46/90/938574690.db2.gz ZAVGHHNPIQZREP-UHFFFAOYSA-N 0 0 400.435 4.200 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000538256658 938575512 /nfs/dbraw/zinc/57/55/12/938575512.db2.gz ABVZESSXIBIBCE-MHZLTWQESA-N 0 0 406.529 4.105 20 5 HIBDRN CCOc1ncc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1Cl ZINC000538255979 938575691 /nfs/dbraw/zinc/57/56/91/938575691.db2.gz YTTPVZNCMPFFBM-UHFFFAOYSA-N 0 0 418.862 4.442 20 5 HIBDRN C[C@H](NC(=O)COc1ccccc1OCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000538263416 938578235 /nfs/dbraw/zinc/57/82/35/938578235.db2.gz VMIBYZHXEZNFMW-KRWDZBQOSA-N 0 0 406.438 4.430 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000538291889 938584534 /nfs/dbraw/zinc/58/45/34/938584534.db2.gz XEKMTMSTTGSFIR-OEPMTFCVSA-N 0 0 405.401 4.072 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2Cl)n[nH]1 ZINC000538312065 938589993 /nfs/dbraw/zinc/58/99/93/938589993.db2.gz JSFAACGNKGDQSK-UHFFFAOYSA-N 0 0 414.853 4.173 20 5 HIBDRN Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538313092 938590589 /nfs/dbraw/zinc/59/05/89/938590589.db2.gz HXJFCUNCPOJWHN-KRWDZBQOSA-N 0 0 405.454 4.471 20 5 HIBDRN Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538313096 938590620 /nfs/dbraw/zinc/59/06/20/938590620.db2.gz HXJFCUNCPOJWHN-QGZVFWFLSA-N 0 0 405.454 4.471 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCOc3c(Cl)cccc32)cc1OC ZINC000538332153 938595538 /nfs/dbraw/zinc/59/55/38/938595538.db2.gz ATMVKEMEVRSUIK-HNNXBMFYSA-N 0 0 420.849 4.299 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1[N+](=O)[O-] ZINC000538347792 938600103 /nfs/dbraw/zinc/60/01/03/938600103.db2.gz WDZDJOXBPZSMKK-ZDUSSCGKSA-N 0 0 424.301 4.494 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1[N+](=O)[O-] ZINC000538347788 938600153 /nfs/dbraw/zinc/60/01/53/938600153.db2.gz WDZDJOXBPZSMKK-CYBMUJFWSA-N 0 0 424.301 4.494 20 5 HIBDRN O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538379416 938607321 /nfs/dbraw/zinc/60/73/21/938607321.db2.gz KQICUXLWIMWWNF-KRWDZBQOSA-N 0 0 412.833 4.078 20 5 HIBDRN O=C(Nc1ccccc1O[C@@H]1CCOC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538387942 938608475 /nfs/dbraw/zinc/60/84/75/938608475.db2.gz UJETXVMSKDECSJ-MRXNPFEDSA-N 0 0 405.410 4.077 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000538387933 938608631 /nfs/dbraw/zinc/60/86/31/938608631.db2.gz TZRMWFRSRVSWHK-UZLBHIALSA-N 0 0 403.438 4.259 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000538388623 938608940 /nfs/dbraw/zinc/60/89/40/938608940.db2.gz OOEZMOLRKZDMPZ-VIFPVBQESA-N 0 0 403.382 4.350 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000538411357 938614240 /nfs/dbraw/zinc/61/42/40/938614240.db2.gz GVTXNEYUFNZMTK-UHFFFAOYSA-N 0 0 412.414 4.113 20 5 HIBDRN Cc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nn1C1CCCCC1 ZINC000538459027 938627073 /nfs/dbraw/zinc/62/70/73/938627073.db2.gz VRXJOBBQGUOUGY-HXUWFJFHSA-N 0 0 400.504 4.493 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000538523196 938641237 /nfs/dbraw/zinc/64/12/37/938641237.db2.gz LEYMHPUJQLFPFF-AWEZNQCLSA-N 0 0 401.488 4.244 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)s2)cc1 ZINC000538552352 938647457 /nfs/dbraw/zinc/64/74/57/938647457.db2.gz XHBVEIMXNURSRH-UHFFFAOYSA-N 0 0 411.439 4.478 20 5 HIBDRN O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000538625671 938665501 /nfs/dbraw/zinc/66/55/01/938665501.db2.gz COUSNEYVXDLJOK-UHFFFAOYSA-N 0 0 415.409 4.388 20 5 HIBDRN O=C(CCc1ccc(Br)cc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538696082 938685700 /nfs/dbraw/zinc/68/57/00/938685700.db2.gz WPAZUWLFKREZQO-UHFFFAOYSA-N 0 0 411.683 4.302 20 5 HIBDRN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000538720348 938690321 /nfs/dbraw/zinc/69/03/21/938690321.db2.gz UVFYEYGAUOCVLB-ZIAGYGMSSA-N 0 0 424.906 4.048 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC000538776337 938707417 /nfs/dbraw/zinc/70/74/17/938707417.db2.gz VBZYOQIXLGEFKR-UHFFFAOYSA-N 0 0 403.236 4.411 20 5 HIBDRN Cc1cc(C)n(-c2cccc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000538832700 938722009 /nfs/dbraw/zinc/72/20/09/938722009.db2.gz FFMGJCAUNDSJSP-UHFFFAOYSA-N 0 0 402.458 4.410 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Cc2cccc(OCc3cccnc3)c2)cc1[N+](=O)[O-] ZINC000538858608 938726473 /nfs/dbraw/zinc/72/64/73/938726473.db2.gz GJJBZFWMBKQDAZ-KRWDZBQOSA-N 0 0 405.454 4.297 20 5 HIBDRN COc1ccccc1OCC(=O)Nc1cccc(Nc2ncc([N+](=O)[O-])cc2C)c1 ZINC000538891799 938731139 /nfs/dbraw/zinc/73/11/39/938731139.db2.gz OGALHSCDYQWNCJ-UHFFFAOYSA-N 0 0 408.414 4.068 20 5 HIBDRN Cc1ccc(NC(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1[N+](=O)[O-] ZINC000538965892 938752952 /nfs/dbraw/zinc/75/29/52/938752952.db2.gz YTXPXSNTXHIOQQ-AWEZNQCLSA-N 0 0 410.352 4.002 20 5 HIBDRN Cc1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1[N+](=O)[O-] ZINC000538965893 938753251 /nfs/dbraw/zinc/75/32/51/938753251.db2.gz YTXPXSNTXHIOQQ-CQSZACIVSA-N 0 0 410.352 4.002 20 5 HIBDRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000538991718 938762010 /nfs/dbraw/zinc/76/20/10/938762010.db2.gz UXWZKSJDWKVWBC-GTNSWQLSSA-N 0 0 412.364 4.128 20 5 HIBDRN C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000539030837 938774191 /nfs/dbraw/zinc/77/41/91/938774191.db2.gz NWVGNJBPSUBSOS-ZDUSSCGKSA-N 0 0 409.389 4.001 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000539047921 938782554 /nfs/dbraw/zinc/78/25/54/938782554.db2.gz ZKVCBANACZJIOF-GFCCVEGCSA-N 0 0 416.279 4.302 20 5 HIBDRN COCCOc1c(Cl)cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cl ZINC000539140784 938810111 /nfs/dbraw/zinc/81/01/11/938810111.db2.gz MRWWEEQMMCIJNM-UHFFFAOYSA-N 0 0 415.229 4.188 20 5 HIBDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000539171098 938815258 /nfs/dbraw/zinc/81/52/58/938815258.db2.gz UQBVOEWDTRUPHR-HWPZZCPQSA-N 0 0 411.227 4.002 20 5 HIBDRN COc1ccc(NC(=O)CN[C@H](C)c2cc(F)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000539242594 938824524 /nfs/dbraw/zinc/82/45/24/938824524.db2.gz BKGHWXCHWGWUGT-SECBINFHSA-N 0 0 416.236 4.339 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000539299283 938836452 /nfs/dbraw/zinc/83/64/52/938836452.db2.gz WFQUTLLZAOZDEY-UHFFFAOYSA-N 0 0 413.499 4.152 20 5 HIBDRN COCCSc1ccc([C@H](C)NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000539306240 938837984 /nfs/dbraw/zinc/83/79/84/938837984.db2.gz NPGNWIMEHLMRBV-AWEZNQCLSA-N 0 0 414.487 4.234 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000539339409 938844997 /nfs/dbraw/zinc/84/49/97/938844997.db2.gz WYXZKGMFTQWVGL-CYBMUJFWSA-N 0 0 406.426 4.279 20 5 HIBDRN Cc1cc(Br)cc2c1CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)CC2 ZINC000539343563 938845678 /nfs/dbraw/zinc/84/56/78/938845678.db2.gz RTWQEWUDNQDJLU-UHFFFAOYSA-N 0 0 421.316 4.343 20 5 HIBDRN COc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3C)C2)cc1 ZINC000563509385 945209236 /nfs/dbraw/zinc/20/92/36/945209236.db2.gz NVXOYMUMASHMOM-CQSZACIVSA-N 0 0 419.275 4.304 20 5 HIBDRN CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1CC ZINC000539351857 938846824 /nfs/dbraw/zinc/84/68/24/938846824.db2.gz LXEOJLGXEIWWPM-MRXNPFEDSA-N 0 0 401.488 4.024 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCCSCc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000539365370 938849323 /nfs/dbraw/zinc/84/93/23/938849323.db2.gz QZBUNMDQGKJQTJ-UHFFFAOYSA-N 0 0 417.318 4.411 20 5 HIBDRN CCOCCOc1ccc(Cl)cc1NC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000563520027 945209465 /nfs/dbraw/zinc/20/94/65/945209465.db2.gz MFSWBZJDNWARMV-UHFFFAOYSA-N 0 0 408.838 4.315 20 5 HIBDRN COCCCOc1cccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC000539490046 938867689 /nfs/dbraw/zinc/86/76/89/938867689.db2.gz GABUFDVIZYNNJQ-UHFFFAOYSA-N 0 0 407.426 4.324 20 5 HIBDRN CCOc1ccc(Br)cc1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000539514682 938871787 /nfs/dbraw/zinc/87/17/87/938871787.db2.gz WPBWFAIDICZARK-UHFFFAOYSA-N 0 0 423.263 4.472 20 5 HIBDRN COc1cc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc(OC)c1C(C)C ZINC000539525337 938873255 /nfs/dbraw/zinc/87/32/55/938873255.db2.gz LCCZMJCJDIONKE-UHFFFAOYSA-N 0 0 402.447 4.451 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)c1 ZINC000539526017 938873655 /nfs/dbraw/zinc/87/36/55/938873655.db2.gz VGZAUALQTMMUQT-UHFFFAOYSA-N 0 0 417.425 4.249 20 5 HIBDRN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc([S@@](C)=O)cc1 ZINC000539529886 938873984 /nfs/dbraw/zinc/87/39/84/938873984.db2.gz FIERJQICHSXNTR-JGTBNHKDSA-N 0 0 401.513 4.307 20 5 HIBDRN Cc1csc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)cc2)n1 ZINC000539542126 938876971 /nfs/dbraw/zinc/87/69/71/938876971.db2.gz BSASWHNTMAJTON-UHFFFAOYSA-N 0 0 424.482 4.116 20 5 HIBDRN CCCCN(Cc1ccccc1F)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000539543456 938877256 /nfs/dbraw/zinc/87/72/56/938877256.db2.gz MLYMJZMPIRINKP-UHFFFAOYSA-N 0 0 415.465 4.013 20 5 HIBDRN Cc1cc(N2CCN(C(=O)CCCc3ccccc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000539549576 938878642 /nfs/dbraw/zinc/87/86/42/938878642.db2.gz DOSZCZFIFGEOBE-UHFFFAOYSA-N 0 0 418.497 4.123 20 5 HIBDRN Cc1cc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nn1-c1cc(C)cc(C)c1 ZINC000539635761 938891389 /nfs/dbraw/zinc/89/13/89/938891389.db2.gz ILDIBQAIQQLGLZ-UHFFFAOYSA-N 0 0 404.430 4.368 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)c([N+](=O)[O-])cc1OC ZINC000539653018 938894455 /nfs/dbraw/zinc/89/44/55/938894455.db2.gz WGRZFCBRLLZCKU-UHFFFAOYSA-N 0 0 424.457 4.365 20 5 HIBDRN CC(C)C[C@@H]1C[C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000539667123 938897426 /nfs/dbraw/zinc/89/74/26/938897426.db2.gz VBJGKJPIUVOQJK-HUUCEWRRSA-N 0 0 417.428 4.126 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(O)c(OC)c1 ZINC000539673962 938898644 /nfs/dbraw/zinc/89/86/44/938898644.db2.gz OYPQHUSUTCKQNX-UHFFFAOYSA-N 0 0 404.488 4.473 20 5 HIBDRN COc1cc(C(=O)N2CCCc3c(F)cc(Br)cc32)ccc1[N+](=O)[O-] ZINC000539680056 938899539 /nfs/dbraw/zinc/89/95/39/938899539.db2.gz GVUMPLKIRIKMOG-UHFFFAOYSA-N 0 0 409.211 4.098 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(c2nccs2)CC1 ZINC000539686718 938901032 /nfs/dbraw/zinc/90/10/32/938901032.db2.gz GHVMKBHZTTZDTA-UHFFFAOYSA-N 0 0 420.560 4.296 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000539692209 938903328 /nfs/dbraw/zinc/90/33/28/938903328.db2.gz YDNKKESZEPGVLT-ABAIWWIYSA-N 0 0 408.813 4.185 20 5 HIBDRN CCc1nnc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)s1 ZINC000539709280 938908163 /nfs/dbraw/zinc/90/81/63/938908163.db2.gz DDLTWQYHXQEBRP-UHFFFAOYSA-N 0 0 400.460 4.208 20 5 HIBDRN CCOc1cc(N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)ccc1[N+](=O)[O-] ZINC000563558413 945215427 /nfs/dbraw/zinc/21/54/27/945215427.db2.gz OQAFJYGWLYKGAH-KRWDZBQOSA-N 0 0 402.451 4.002 20 5 HIBDRN O=C(CCOc1ccc(F)cc1Cl)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539800729 938937522 /nfs/dbraw/zinc/93/75/22/938937522.db2.gz QREBCSBYDIALHB-UHFFFAOYSA-N 0 0 401.221 4.169 20 5 HIBDRN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000539804918 938938493 /nfs/dbraw/zinc/93/84/93/938938493.db2.gz XJPWPZVGDZURKD-QGZVFWFLSA-N 0 0 400.387 4.044 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000539815879 938941325 /nfs/dbraw/zinc/94/13/25/938941325.db2.gz IOMURNJZFBIMED-GFCCVEGCSA-N 0 0 411.439 4.027 20 5 HIBDRN COc1cccc(-c2noc([C@H](C)NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)n2)c1 ZINC000539874474 938963133 /nfs/dbraw/zinc/96/31/33/938963133.db2.gz QVEBKGMADHTJFB-AWEZNQCLSA-N 0 0 410.430 4.070 20 5 HIBDRN CC[C@@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000539928122 938978358 /nfs/dbraw/zinc/97/83/58/938978358.db2.gz AWFOAOFJKKACDI-KNQAVFIVSA-N 0 0 421.501 4.218 20 5 HIBDRN COc1ccccc1[C@H](CO)NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000539980538 939029473 /nfs/dbraw/zinc/02/94/73/939029473.db2.gz XZIMKMPDALDJND-FQEVSTJZSA-N 0 0 424.478 4.218 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000540000229 939034638 /nfs/dbraw/zinc/03/46/38/939034638.db2.gz AMVOPNRTPWOXCH-SGTLLEGYSA-N 0 0 415.446 4.363 20 5 HIBDRN COc1ccc([C@H](OC)[C@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540073841 939059589 /nfs/dbraw/zinc/05/95/89/939059589.db2.gz UCQJWNVKQQTJAE-AUSJPIAWSA-N 0 0 401.463 4.048 20 5 HIBDRN CC[C@@H](C)Oc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000563612601 945224782 /nfs/dbraw/zinc/22/47/82/945224782.db2.gz CHMAILCDPKIUIL-CZUORRHYSA-N 0 0 417.487 4.077 20 5 HIBDRN COc1ccccc1[C@@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000540162165 939097636 /nfs/dbraw/zinc/09/76/36/939097636.db2.gz HTOGUKCZFIEKLS-IVZQSRNASA-N 0 0 409.442 4.293 20 5 HIBDRN CCN1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540228028 939147795 /nfs/dbraw/zinc/14/77/95/939147795.db2.gz LLAQYGNOUJEFKW-CTNGQTDRSA-N 0 0 419.884 4.272 20 5 HIBDRN CCN1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540228032 939148317 /nfs/dbraw/zinc/14/83/17/939148317.db2.gz LLAQYGNOUJEFKW-PZJWPPBQSA-N 0 0 419.884 4.272 20 5 HIBDRN COc1cc(N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c([N+](=O)[O-])cc1F ZINC000563648267 945232823 /nfs/dbraw/zinc/23/28/23/945232823.db2.gz DPVMHOBHUDOWPM-QGZVFWFLSA-N 0 0 416.327 4.219 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000540343312 939200763 /nfs/dbraw/zinc/20/07/63/939200763.db2.gz ZXQVQAKLLZGTEA-VIFPVBQESA-N 0 0 416.236 4.339 20 5 HIBDRN Cn1nccc1COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000540349309 939202619 /nfs/dbraw/zinc/20/26/19/939202619.db2.gz DEVINIVYRADGET-UHFFFAOYSA-N 0 0 421.240 4.466 20 5 HIBDRN CCCCCC(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000540390885 939229248 /nfs/dbraw/zinc/22/92/48/939229248.db2.gz LXLKXLWJJRTVGC-UHFFFAOYSA-N 0 0 421.563 4.396 20 5 HIBDRN Cc1cc(NC(=O)c2ccccc2OC(F)(F)F)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540396374 939232922 /nfs/dbraw/zinc/23/29/22/939232922.db2.gz DSNRQJGTOJJAID-UHFFFAOYSA-N 0 0 406.320 4.240 20 5 HIBDRN C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000540407543 939237422 /nfs/dbraw/zinc/23/74/22/939237422.db2.gz NNHFAZLVDUOEIC-GJZGRUSLSA-N 0 0 421.457 4.183 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CCCc3ccccc32)cc1SC ZINC000540420964 939242506 /nfs/dbraw/zinc/24/25/06/939242506.db2.gz NWPBLYSDDTXDKR-OAQYLSRUSA-N 0 0 400.500 4.349 20 5 HIBDRN COc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2F)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000540424869 939244317 /nfs/dbraw/zinc/24/43/17/939244317.db2.gz SAMAESMXGVPZRM-LJQANCHMSA-N 0 0 407.417 4.197 20 5 HIBDRN COc1ccc(NC(=O)CN[C@@H](c2ccc(F)cc2F)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000540424867 939244567 /nfs/dbraw/zinc/24/45/67/939244567.db2.gz SAMAESMXGVPZRM-IBGZPJMESA-N 0 0 407.417 4.197 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000540445201 939253001 /nfs/dbraw/zinc/25/30/01/939253001.db2.gz QTNYDHFCBPDHSW-YLJYHZDGSA-N 0 0 415.877 4.108 20 5 HIBDRN Cc1ccnn1-c1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000540447962 939253942 /nfs/dbraw/zinc/25/39/42/939253942.db2.gz SIRRIYVZKPMZBY-UHFFFAOYSA-N 0 0 419.466 4.489 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000540449965 939254286 /nfs/dbraw/zinc/25/42/86/939254286.db2.gz JPFPIXPXEFJXOS-UHFFFAOYSA-N 0 0 402.472 4.139 20 5 HIBDRN CN(C(=O)CSCc1cscn1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540455251 939257444 /nfs/dbraw/zinc/25/74/44/939257444.db2.gz ZKDGYKLRISHCEX-UHFFFAOYSA-N 0 0 406.514 4.071 20 5 HIBDRN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000540534095 939293623 /nfs/dbraw/zinc/29/36/23/939293623.db2.gz HRWQTMANMKHMKI-DQYPLSBCSA-N 0 0 404.850 4.087 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)cc1OC ZINC000540575231 939309091 /nfs/dbraw/zinc/30/90/91/939309091.db2.gz QNJHLYIAYXTJGP-OAHLLOKOSA-N 0 0 420.849 4.299 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000540634154 939325180 /nfs/dbraw/zinc/32/51/80/939325180.db2.gz MXICXSBPPQWQJB-AWEZNQCLSA-N 0 0 405.907 4.369 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)cc1 ZINC000540650085 939330627 /nfs/dbraw/zinc/33/06/27/939330627.db2.gz MADAZEJQIPSKRY-UHFFFAOYSA-N 0 0 424.482 4.116 20 5 HIBDRN CC(C)(C(=O)NCC1(c2cccc(Br)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000563666923 945244842 /nfs/dbraw/zinc/24/48/42/945244842.db2.gz NSNFWHGRIILOTD-UHFFFAOYSA-N 0 0 417.303 4.483 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(NC(C)=O)cc1 ZINC000540716374 939346776 /nfs/dbraw/zinc/34/67/76/939346776.db2.gz MROFVJJYGUZWNQ-UHFFFAOYSA-N 0 0 415.515 4.418 20 5 HIBDRN Cc1cc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000540744979 939356173 /nfs/dbraw/zinc/35/61/73/939356173.db2.gz AUWLBXXTBVDSOY-UHFFFAOYSA-N 0 0 407.348 4.301 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540800018 939376873 /nfs/dbraw/zinc/37/68/73/939376873.db2.gz RCVFHCCJXIXZAK-RHSMWYFYSA-N 0 0 411.886 4.403 20 5 HIBDRN CC[C@H](C)Oc1cc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccn1 ZINC000540801140 939377619 /nfs/dbraw/zinc/37/76/19/939377619.db2.gz YJLXYWYZXXUQRA-KRWDZBQOSA-N 0 0 415.493 4.043 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000540857144 939397242 /nfs/dbraw/zinc/39/72/42/939397242.db2.gz FUZKAIZYSKXTJU-UHFFFAOYSA-N 0 0 405.439 4.264 20 5 HIBDRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000540870738 939404892 /nfs/dbraw/zinc/40/48/92/939404892.db2.gz PXCBSNIENNRVBC-LLVKDONJSA-N 0 0 402.407 4.217 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000540888720 939410260 /nfs/dbraw/zinc/41/02/60/939410260.db2.gz XJPMUCANYBDGCX-GOSISDBHSA-N 0 0 404.463 4.448 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000540892674 939412503 /nfs/dbraw/zinc/41/25/03/939412503.db2.gz AZGVKMXWXKOAAE-HOTGVXAUSA-N 0 0 423.694 4.473 20 5 HIBDRN O=[N+]([O-])c1cccc([C@@H](NCc2nnc(-c3ccc(F)cc3)[nH]2)c2ccccc2)c1 ZINC000540913632 939416152 /nfs/dbraw/zinc/41/61/52/939416152.db2.gz QAKNFMWNTJAGGE-NRFANRHFSA-N 0 0 403.417 4.398 20 5 HIBDRN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)nc2c1 ZINC000540920219 939417821 /nfs/dbraw/zinc/41/78/21/939417821.db2.gz PMLLTBGAZCGZQM-MRXNPFEDSA-N 0 0 416.384 4.358 20 5 HIBDRN COc1cc(CSc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OCC(F)F ZINC000540930409 939418585 /nfs/dbraw/zinc/41/85/85/939418585.db2.gz NCNNJAXCVSMUTM-UHFFFAOYSA-N 0 0 413.398 4.311 20 5 HIBDRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000540981748 939424751 /nfs/dbraw/zinc/42/47/51/939424751.db2.gz QAZYUOWUGGYYTC-NSHDSACASA-N 0 0 417.878 4.380 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000540993779 939427480 /nfs/dbraw/zinc/42/74/80/939427480.db2.gz MMGZLNUDWFAFBZ-XCRHUMRWSA-N 0 0 420.307 4.425 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000541026742 939434424 /nfs/dbraw/zinc/43/44/24/939434424.db2.gz BWDPUTJMKWMFJS-CQSZACIVSA-N 0 0 420.290 4.238 20 5 HIBDRN Cc1ccnc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000541069632 939449416 /nfs/dbraw/zinc/44/94/16/939449416.db2.gz LAUDDBPKXZPSOX-UHFFFAOYSA-N 0 0 409.364 4.001 20 5 HIBDRN COc1ccc(NC(=O)NCc2cccc(COCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000541100351 939459984 /nfs/dbraw/zinc/45/99/84/939459984.db2.gz GRQJDJYSBFYIIC-UHFFFAOYSA-N 0 0 411.414 4.235 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000541108650 939463393 /nfs/dbraw/zinc/46/33/93/939463393.db2.gz HJOFCCWBXHEXOE-HNNXBMFYSA-N 0 0 422.281 4.456 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2cccc3c2OCO3)cc1[N+](=O)[O-])c1ccccn1 ZINC000541111810 939464094 /nfs/dbraw/zinc/46/40/94/939464094.db2.gz UHZRTGZHNLVEBT-ZDUSSCGKSA-N 0 0 406.398 4.144 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)N([C@H](C)c2ccc(Cl)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000541147390 939475727 /nfs/dbraw/zinc/47/57/27/939475727.db2.gz DFQNFVKQKNERLU-CQSZACIVSA-N 0 0 415.877 4.039 20 5 HIBDRN Cc1cc(N2CCC(CCCn3ccnc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000541192308 939485014 /nfs/dbraw/zinc/48/50/14/939485014.db2.gz JUISXIMNAXQOOR-UHFFFAOYSA-N 0 0 406.490 4.254 20 5 HIBDRN CC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1Cl ZINC000541231082 939486689 /nfs/dbraw/zinc/48/66/89/939486689.db2.gz PAIUIHIZIKZWCN-UHFFFAOYSA-N 0 0 411.639 4.395 20 5 HIBDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000541263229 939488298 /nfs/dbraw/zinc/48/82/98/939488298.db2.gz GGPNJBAOUDAVCU-LBPRGKRZSA-N 0 0 409.305 4.197 20 5 HIBDRN CN(Cc1ccccc1OC(F)(F)F)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000541263677 939488292 /nfs/dbraw/zinc/48/82/92/939488292.db2.gz AJMNXZCZJQUYRU-UHFFFAOYSA-N 0 0 400.378 4.244 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCc1cc(Cl)ccc1OC(F)F ZINC000541266043 939488452 /nfs/dbraw/zinc/48/84/52/939488452.db2.gz WPOCCRFAAVCQLT-UHFFFAOYSA-N 0 0 402.806 4.258 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000541273943 939488792 /nfs/dbraw/zinc/48/87/92/939488792.db2.gz QSTKLOYSMKQUOS-MRXNPFEDSA-N 0 0 404.291 4.062 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)CSc2ccccc2[N+](=O)[O-])cc1OCC ZINC000541293801 939489716 /nfs/dbraw/zinc/48/97/16/939489716.db2.gz ZKQBHLNNDUAFIO-CQSZACIVSA-N 0 0 404.488 4.362 20 5 HIBDRN Cc1nnc(-c2ccccc2NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000541295266 939489811 /nfs/dbraw/zinc/48/98/11/939489811.db2.gz ZYSLWQSDDIXVRB-UHFFFAOYSA-N 0 0 404.835 4.337 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541299007 939489982 /nfs/dbraw/zinc/48/99/82/939489982.db2.gz QSMAHTHMJIKFBB-UHFFFAOYSA-N 0 0 422.312 4.225 20 5 HIBDRN Cc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000541300211 939490058 /nfs/dbraw/zinc/49/00/58/939490058.db2.gz INMMFYRGCLMGIS-NSHDSACASA-N 0 0 407.268 4.394 20 5 HIBDRN Cc1c([C@H](C)NC(=O)CSc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000541306561 939490407 /nfs/dbraw/zinc/49/04/07/939490407.db2.gz BBDQKANNTJBVRP-ZDUSSCGKSA-N 0 0 414.462 4.198 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c2cccc(Cl)c2O1 ZINC000541329188 939491152 /nfs/dbraw/zinc/49/11/52/939491152.db2.gz ZQDRAQWLXOSGHR-OAHLLOKOSA-N 0 0 412.833 4.252 20 5 HIBDRN CC(=O)NC1CCC(N(C)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 ZINC000541346929 939493871 /nfs/dbraw/zinc/49/38/71/939493871.db2.gz PUJSMMDZNLMKCT-UHFFFAOYSA-N 0 0 424.501 4.039 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@@H](c4ccc(C)cc4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000541388555 939503128 /nfs/dbraw/zinc/50/31/28/939503128.db2.gz ARZVCGYQKMNKPZ-JOCHJYFZSA-N 0 0 418.497 4.395 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000541392963 939504077 /nfs/dbraw/zinc/50/40/77/939504077.db2.gz DWEXJIBGAKMOFC-ZDUSSCGKSA-N 0 0 423.897 4.122 20 5 HIBDRN CSc1c(F)cc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1F ZINC000541456423 939521310 /nfs/dbraw/zinc/52/13/10/939521310.db2.gz JTECBQQRLZWDBA-UHFFFAOYSA-N 0 0 405.382 4.161 20 5 HIBDRN CCc1ccc([C@@H](NC[C@H](O)COc2cccc(C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541547496 939551053 /nfs/dbraw/zinc/55/10/53/939551053.db2.gz YKKXOQNGYMNBIU-CVDCTZTESA-N 0 0 410.470 4.178 20 5 HIBDRN CC(C)(C)C(=O)N1CCOc2ccc(Nc3ncnc4cccc([N+](=O)[O-])c43)cc21 ZINC000541577282 939559215 /nfs/dbraw/zinc/55/92/15/939559215.db2.gz QDEQXLJYEVQHBM-UHFFFAOYSA-N 0 0 407.430 4.053 20 5 HIBDRN COc1ccc2[nH]cc(C3CCN(c4ncnc5cccc([N+](=O)[O-])c54)CC3)c2c1 ZINC000541577985 939559478 /nfs/dbraw/zinc/55/94/78/939559478.db2.gz NFNGJGLPXHUKOA-UHFFFAOYSA-N 0 0 403.442 4.412 20 5 HIBDRN Cc1noc(COc2ccc(Oc3ncc([N+](=O)[O-])c(C)c3Br)cc2)n1 ZINC000541579072 939559688 /nfs/dbraw/zinc/55/96/88/939559688.db2.gz UEHNBVKLQQOKML-UHFFFAOYSA-N 0 0 421.207 4.123 20 5 HIBDRN Cc1c(Br)c(N[C@@H](c2nccn2C)c2cccc(F)c2)ncc1[N+](=O)[O-] ZINC000541589816 939561819 /nfs/dbraw/zinc/56/18/19/939561819.db2.gz LUKVRLHQUPGPFW-OAHLLOKOSA-N 0 0 420.242 4.135 20 5 HIBDRN C[C@@H](C(=O)NCCc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1F ZINC000541608044 939568539 /nfs/dbraw/zinc/56/85/39/939568539.db2.gz KNNIOCVVJMAZBD-SECBINFHSA-N 0 0 401.257 4.020 20 5 HIBDRN CC(C)COC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000541626008 939574226 /nfs/dbraw/zinc/57/42/26/939574226.db2.gz CNBNGXOKLRIIFL-CXAGYDPISA-N 0 0 409.870 4.172 20 5 HIBDRN COC1CCC(CCNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000541632831 939577033 /nfs/dbraw/zinc/57/70/33/939577033.db2.gz BCIGMWDSFSNWII-LRYGQEGESA-N 0 0 403.523 4.156 20 5 HIBDRN CN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541635834 939579072 /nfs/dbraw/zinc/57/90/72/939579072.db2.gz HTFGSYWPDYQRDF-SJLPKXTDSA-N 0 0 404.463 4.205 20 5 HIBDRN COc1ccc(NC(=O)CN[C@@H](C)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 ZINC000541660220 939592612 /nfs/dbraw/zinc/59/26/12/939592612.db2.gz IFPDTYVDPFPLNO-ZDUSSCGKSA-N 0 0 412.471 4.016 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(CNc2ccncn2)c1 ZINC000541680576 939599489 /nfs/dbraw/zinc/59/94/89/939599489.db2.gz MQQLPZHZVAUVLA-UHFFFAOYSA-N 0 0 405.458 4.048 20 5 HIBDRN CCOc1cc(NC(=O)NCCC2CCC(OC)CC2)c([N+](=O)[O-])cc1OCC ZINC000541712978 939612245 /nfs/dbraw/zinc/61/22/45/939612245.db2.gz CDLYTWJLWKQRBX-UHFFFAOYSA-N 0 0 409.483 4.109 20 5 HIBDRN C[C@H](C(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541720318 939613851 /nfs/dbraw/zinc/61/38/51/939613851.db2.gz RGYFFZLPQVJZTJ-BBRMVZONSA-N 0 0 402.397 4.241 20 5 HIBDRN O=C(NCCNc1ccccn1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541755556 939621417 /nfs/dbraw/zinc/62/14/17/939621417.db2.gz UOBFORSDQKKSMW-UHFFFAOYSA-N 0 0 400.504 4.114 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCC[C@H]3c3cc[nH]n3)cc2[N+](=O)[O-])C1 ZINC000563705376 945260754 /nfs/dbraw/zinc/26/07/54/945260754.db2.gz BDBUIOYELRLHMT-MDZRGWNJSA-N 0 0 411.506 4.168 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000541773074 939626959 /nfs/dbraw/zinc/62/69/59/939626959.db2.gz PMHJNJSRMPLFMP-LBPRGKRZSA-N 0 0 407.264 4.288 20 5 HIBDRN Cc1nnc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)s1 ZINC000541783702 939629203 /nfs/dbraw/zinc/62/92/03/939629203.db2.gz OGUGRDPWVBZAOP-UHFFFAOYSA-N 0 0 422.825 4.270 20 5 HIBDRN O=C(NCCn1ccc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cc1Br ZINC000563709441 945262036 /nfs/dbraw/zinc/26/20/36/945262036.db2.gz OLJXOZKPKXTKKE-UHFFFAOYSA-N 0 0 422.666 4.395 20 5 HIBDRN CCOc1cc(C(=O)N2[C@H](C)c3ccc(OC)cc3C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000541929207 939656440 /nfs/dbraw/zinc/65/64/40/939656440.db2.gz NOYPZLJYWLIPDM-UONOGXRCSA-N 0 0 414.458 4.159 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541948737 939660448 /nfs/dbraw/zinc/66/04/48/939660448.db2.gz LGMNWHZOSCGFFN-LLVKDONJSA-N 0 0 404.373 4.057 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000541974160 939667191 /nfs/dbraw/zinc/66/71/91/939667191.db2.gz NNSMAPVWEXPWRA-SFHVURJKSA-N 0 0 422.403 4.491 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000541995010 939673608 /nfs/dbraw/zinc/67/36/08/939673608.db2.gz BVEMBZYVKGMPOU-UHFFFAOYSA-N 0 0 406.398 4.500 20 5 HIBDRN COc1ccc(CNC(=O)c2oc3c(cccc3Br)c2C)cc1[N+](=O)[O-] ZINC000542003688 939679346 /nfs/dbraw/zinc/67/93/46/939679346.db2.gz DOGRAYZFFFTOKQ-UHFFFAOYSA-N 0 0 419.231 4.351 20 5 HIBDRN COc1c(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cccc1C(N)=O ZINC000542014535 939685548 /nfs/dbraw/zinc/68/55/48/939685548.db2.gz QRISFOLWOJPVCG-UHFFFAOYSA-N 0 0 417.487 4.093 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)nc2c1 ZINC000542019641 939688730 /nfs/dbraw/zinc/68/87/30/939688730.db2.gz JCXOQNYNCZMKLA-QGZVFWFLSA-N 0 0 407.348 4.328 20 5 HIBDRN COCCSc1ccc([C@H](C)NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000542035522 939694554 /nfs/dbraw/zinc/69/45/54/939694554.db2.gz GXMUACLSMHPRRS-ZDUSSCGKSA-N 0 0 405.476 4.225 20 5 HIBDRN CC(C)(C)Oc1c(F)cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F ZINC000542053894 939700146 /nfs/dbraw/zinc/70/01/46/939700146.db2.gz XSAYIKVGCQXXLY-UHFFFAOYSA-N 0 0 408.357 4.074 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cncnc1-c1ccccc1 ZINC000542118038 939720465 /nfs/dbraw/zinc/72/04/65/939720465.db2.gz FLVHUIYZKKHPBG-UHFFFAOYSA-N 0 0 403.423 4.428 20 5 HIBDRN CCOc1ccc(C(C)(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000542152674 939732380 /nfs/dbraw/zinc/73/23/80/939732380.db2.gz KYMUJOIJGXVJCV-UHFFFAOYSA-N 0 0 400.475 4.029 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000542192316 939751688 /nfs/dbraw/zinc/75/16/88/939751688.db2.gz SGLLHEYUOSIPML-DYESRHJHSA-N 0 0 400.500 4.279 20 5 HIBDRN O=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000542195595 939752581 /nfs/dbraw/zinc/75/25/81/939752581.db2.gz LQMCNJFKXFGYER-UHFFFAOYSA-N 0 0 403.316 4.472 20 5 HIBDRN CCn1c2ccc(F)cc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000542226473 939764843 /nfs/dbraw/zinc/76/48/43/939764843.db2.gz FCRICCYCWOMWAV-UHFFFAOYSA-N 0 0 407.199 4.118 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC=C(c2c[nH]c3cc(C)ccc32)CC1 ZINC000542245617 939771844 /nfs/dbraw/zinc/77/18/44/939771844.db2.gz PYUJTIXVFFSQST-UHFFFAOYSA-N 0 0 420.469 4.392 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2cccc(Cl)c2O1 ZINC000542254892 939773643 /nfs/dbraw/zinc/77/36/43/939773643.db2.gz WJAWIOLWAIHNEQ-HNNXBMFYSA-N 0 0 412.833 4.252 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN[C@H](c3cccc(F)c3F)C(F)(F)F)n2)cc1 ZINC000542259127 939775086 /nfs/dbraw/zinc/77/50/86/939775086.db2.gz GLBCFCRMGNGUAT-OAHLLOKOSA-N 0 0 414.290 4.316 20 5 HIBDRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000542365287 939808318 /nfs/dbraw/zinc/80/83/18/939808318.db2.gz VGEITMVHMWHFJF-FPOVZHCZSA-N 0 0 420.469 4.016 20 5 HIBDRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000542365282 939808376 /nfs/dbraw/zinc/80/83/76/939808376.db2.gz VGEITMVHMWHFJF-CTNGQTDRSA-N 0 0 420.469 4.016 20 5 HIBDRN CCCc1c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cnn1-c1cccc(F)c1 ZINC000542417401 939817630 /nfs/dbraw/zinc/81/76/30/939817630.db2.gz ZJBDKEMCAWWUIQ-UHFFFAOYSA-N 0 0 421.432 4.466 20 5 HIBDRN Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000542422213 939819010 /nfs/dbraw/zinc/81/90/10/939819010.db2.gz SQHVCEWCRAGSLS-UHFFFAOYSA-N 0 0 419.441 4.421 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)cc([N+](=O)[O-])c1 ZINC000542442116 939823666 /nfs/dbraw/zinc/82/36/66/939823666.db2.gz VKCYICBTFSOIGF-JLTOFOAXSA-N 0 0 412.442 4.003 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000542455617 939825929 /nfs/dbraw/zinc/82/59/29/939825929.db2.gz FASYMXHBQOCZDL-NRFANRHFSA-N 0 0 409.417 4.331 20 5 HIBDRN CCc1ccc([C@@H](NC[C@@H](O)COc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542478998 939830095 /nfs/dbraw/zinc/83/00/95/939830095.db2.gz LTANGXWCWDFUOI-GCJKJVERSA-N 0 0 414.433 4.008 20 5 HIBDRN CCc1ccc([C@H](Nc2ccc(CS(C)(=O)=O)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542496668 939832947 /nfs/dbraw/zinc/83/29/47/939832947.db2.gz BBIHDQAYERGTSG-OAQYLSRUSA-N 0 0 414.483 4.496 20 5 HIBDRN Cc1c(Br)c(N2CCC(Oc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000542507460 939834284 /nfs/dbraw/zinc/83/42/84/939834284.db2.gz WTRDZLYOHHJXTC-UHFFFAOYSA-N 0 0 410.243 4.248 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1CC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000542511397 939835029 /nfs/dbraw/zinc/83/50/29/939835029.db2.gz NRDLJPHHHVRYCD-ZDUSSCGKSA-N 0 0 402.422 4.360 20 5 HIBDRN COc1ccc(CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c2ccncc2)cc1 ZINC000542511270 939835103 /nfs/dbraw/zinc/83/51/03/939835103.db2.gz ITBPBAJIZNILGE-OAHLLOKOSA-N 0 0 409.417 4.474 20 5 HIBDRN Cc1c(Br)c(NCc2ccc(NC(=O)C(C)C)cc2)ncc1[N+](=O)[O-] ZINC000542521532 939836948 /nfs/dbraw/zinc/83/69/48/939836948.db2.gz ULMWFNQKWBEVPR-UHFFFAOYSA-N 0 0 407.268 4.267 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n(-c2ccccc2)n1 ZINC000542528600 939837671 /nfs/dbraw/zinc/83/76/71/939837671.db2.gz XBRNAFVGYDINQY-GOEBONIOSA-N 0 0 410.449 4.079 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542538909 939840238 /nfs/dbraw/zinc/84/02/38/939840238.db2.gz RTOIGRBTDAWCNS-SNVBAGLBSA-N 0 0 405.813 4.022 20 5 HIBDRN Cc1c([C@@H](C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cnn1-c1ccc(F)cc1 ZINC000542541474 939840616 /nfs/dbraw/zinc/84/06/16/939840616.db2.gz SDKPLUHKQDGVKP-QWHCGFSZSA-N 0 0 414.412 4.348 20 5 HIBDRN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542540990 939840730 /nfs/dbraw/zinc/84/07/30/939840730.db2.gz XQJSUMGEQJHGTA-AWEZNQCLSA-N 0 0 413.449 4.457 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1SC ZINC000542563686 939844322 /nfs/dbraw/zinc/84/43/22/939844322.db2.gz QXPIAHFKCQFKKV-WMLDXEAASA-N 0 0 420.462 4.115 20 5 HIBDRN CCOC(=O)c1sc([C@@H](C)NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nc1C ZINC000542615194 939848755 /nfs/dbraw/zinc/84/87/55/939848755.db2.gz AVRXLZIDMBYPRN-GFCCVEGCSA-N 0 0 416.459 4.042 20 5 HIBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)Cn1cccn1 ZINC000542619632 939849291 /nfs/dbraw/zinc/84/92/91/939849291.db2.gz LMQGGOFRCNFHHX-HNNXBMFYSA-N 0 0 402.520 4.140 20 5 HIBDRN C[C@H](NCc1csc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000542623386 939849753 /nfs/dbraw/zinc/84/97/53/939849753.db2.gz XCZWDNILAODWCY-VIFPVBQESA-N 0 0 409.265 4.320 20 5 HIBDRN CCOc1cc(NC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC ZINC000542642214 939851091 /nfs/dbraw/zinc/85/10/91/939851091.db2.gz JGMRRJYEIPMGTO-RHSMWYFYSA-N 0 0 414.462 4.402 20 5 HIBDRN CC(C)(C)c1ccc(Oc2ccc(CNCc3cc(C(N)=O)no3)cc2[N+](=O)[O-])cc1 ZINC000542691639 939854543 /nfs/dbraw/zinc/85/45/43/939854543.db2.gz YVUGLXLRILGOJG-UHFFFAOYSA-N 0 0 424.457 4.061 20 5 HIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000542768850 939859974 /nfs/dbraw/zinc/85/99/74/939859974.db2.gz NQELJMQZQKKJHU-UHFFFAOYSA-N 0 0 404.411 4.328 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000542810894 939861246 /nfs/dbraw/zinc/86/12/46/939861246.db2.gz MLXJUJUSQTTZOW-NRFANRHFSA-N 0 0 400.500 4.485 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000542874196 939864643 /nfs/dbraw/zinc/86/46/43/939864643.db2.gz DFXSENMDYGGWQG-QFBILLFUSA-N 0 0 420.412 4.402 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)Nc3cccc(N(C)C)n3)cc2[N+](=O)[O-])n1 ZINC000542903421 939875708 /nfs/dbraw/zinc/87/57/08/939875708.db2.gz CWCGOJRYESGSFK-UHFFFAOYSA-N 0 0 415.500 4.224 20 5 HIBDRN COc1ccc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1[N+](=O)[O-] ZINC000542924821 939878657 /nfs/dbraw/zinc/87/86/57/939878657.db2.gz NAHVUEUKRJBURD-UHFFFAOYSA-N 0 0 401.400 4.071 20 5 HIBDRN COc1cccc2c1CCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000542942294 939882701 /nfs/dbraw/zinc/88/27/01/939882701.db2.gz NCEALLFLEPZBDH-UHFFFAOYSA-N 0 0 423.391 4.009 20 5 HIBDRN COc1ccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000542960146 939886336 /nfs/dbraw/zinc/88/63/36/939886336.db2.gz OSTRIJALXYEQDJ-QGZVFWFLSA-N 0 0 415.446 4.116 20 5 HIBDRN COc1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000542964121 939887260 /nfs/dbraw/zinc/88/72/60/939887260.db2.gz 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CUVMZAAZFWCERG-UHFFFAOYSA-N 0 0 412.203 4.260 20 5 HIBDRN C[C@@H](c1nc(CN(C(=O)c2ccccc2)C2CC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000545726536 940582518 /nfs/dbraw/zinc/58/25/18/940582518.db2.gz DXQFRYAWQSREQY-CYBMUJFWSA-N 0 0 410.405 4.074 20 5 HIBDRN COc1cc(Cc2noc(-c3cc(Br)ccc3C)n2)ccc1[N+](=O)[O-] ZINC000545765888 940584668 /nfs/dbraw/zinc/58/46/68/940584668.db2.gz BWMKGFPWKKHMJN-UHFFFAOYSA-N 0 0 404.220 4.315 20 5 HIBDRN CCOc1ccc(-c2nc(C)c(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)s2)cc1 ZINC000545783499 940590822 /nfs/dbraw/zinc/59/08/22/940590822.db2.gz UALIXAKULOGNKL-UHFFFAOYSA-N 0 0 423.454 4.461 20 5 HIBDRN Cc1nc2cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)ccc2n1-c1ccccc1 ZINC000545784032 940591176 /nfs/dbraw/zinc/59/11/76/940591176.db2.gz JOFLMLHZTAIGBP-UHFFFAOYSA-N 0 0 412.409 4.278 20 5 HIBDRN CCO[C@H](C)c1nc(Cc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cs1 ZINC000545786473 940592514 /nfs/dbraw/zinc/59/25/14/940592514.db2.gz QCQIMBSQCPEDAO-LLVKDONJSA-N 0 0 413.459 4.195 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccc(N4CCCC4)cn3)no2)c1 ZINC000545797413 940599886 /nfs/dbraw/zinc/59/98/86/940599886.db2.gz RPLDBSJNWOOXOL-UHFFFAOYSA-N 0 0 416.235 4.070 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CC=C(c2cccc(Br)c2)CC1 ZINC000545815888 940610285 /nfs/dbraw/zinc/61/02/85/940610285.db2.gz DANNKWUNAYGBHB-UHFFFAOYSA-N 0 0 401.260 4.216 20 5 HIBDRN C[S@@](=O)Cc1ccccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000545820955 940614203 /nfs/dbraw/zinc/61/42/03/940614203.db2.gz NEZYBLPUWJIVCP-GDLZYMKVSA-N 0 0 409.467 4.469 20 5 HIBDRN CC(C)(C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000545828815 940618759 /nfs/dbraw/zinc/61/87/59/940618759.db2.gz DSCXVCFGYWTXFW-JXFKEZNVSA-N 0 0 400.450 4.296 20 5 HIBDRN O=[N+]([O-])c1ncn(Cc2nc(-c3ccc(Sc4ccc(Cl)cc4)cc3)no2)n1 ZINC000545833892 940621520 /nfs/dbraw/zinc/62/15/20/940621520.db2.gz CSASEMQWQMHKCZ-UHFFFAOYSA-N 0 0 414.834 4.089 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(COc4ccc(F)cc4Cl)n3)c2c1 ZINC000545849127 940633022 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ZINC000546277396 940758923 /nfs/dbraw/zinc/75/89/23/940758923.db2.gz LFJMEWDELKBIBP-UHFFFAOYSA-N 0 0 413.397 4.058 20 5 HIBDRN Cc1ccc(-c2noc(C3CCN(C(=O)Nc4ccccc4)CC3)n2)cc1[N+](=O)[O-] ZINC000546285585 940764428 /nfs/dbraw/zinc/76/44/28/940764428.db2.gz YWDCGWJJYGVRLZ-UHFFFAOYSA-N 0 0 407.430 4.365 20 5 HIBDRN CC(=O)N(c1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1)C1CC1 ZINC000564009737 945347527 /nfs/dbraw/zinc/34/75/27/945347527.db2.gz GNNIBEOCVKBHFU-UHFFFAOYSA-N 0 0 407.348 4.381 20 5 HIBDRN Cc1c(-c2nc(Cc3cccc4ccccc43)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000546314483 940779514 /nfs/dbraw/zinc/77/95/14/940779514.db2.gz AWHLKRBPTHZKRN-UHFFFAOYSA-N 0 0 412.409 4.278 20 5 HIBDRN CCOC(=O)c1cc(-c2nc(-c3ccccc3OC(F)F)no2)cc([N+](=O)[O-])c1 ZINC000546327832 940786845 /nfs/dbraw/zinc/78/68/45/940786845.db2.gz AWSZJBSFWNEOFW-UHFFFAOYSA-N 0 0 405.313 4.090 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(-c3nc(-c4ccc(Oc5ncccn5)cc4)no3)c2c1 ZINC000546331925 940789396 /nfs/dbraw/zinc/78/93/96/940789396.db2.gz QHDQIKUEWZKHIR-UHFFFAOYSA-N 0 0 400.354 4.375 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2nc(-c3ccc(Oc4ncccn4)cc3)no2)c(Cl)c1 ZINC000546333983 940790654 /nfs/dbraw/zinc/79/06/54/940790654.db2.gz FIPIIMLDSAFTFT-UHFFFAOYSA-N 0 0 409.789 4.471 20 5 HIBDRN Cc1c[nH]c(=O)n1-c1cccc(-c2noc(C=Cc3ccc(F)cc3[N+](=O)[O-])n2)c1 ZINC000546358676 940801254 /nfs/dbraw/zinc/80/12/54/940801254.db2.gz AUXSSCWEMFCNQH-VURMDHGXSA-N 0 0 407.361 4.154 20 5 HIBDRN COCCOc1cccc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)c1 ZINC000546378296 940805314 /nfs/dbraw/zinc/80/53/14/940805314.db2.gz FUQIQDUVDADJHC-UHFFFAOYSA-N 0 0 420.219 4.100 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3nc([C@H]4OCCc5ccccc54)no3)cs2)c1 ZINC000546424622 940817007 /nfs/dbraw/zinc/81/70/07/940817007.db2.gz LSTRDQVHFYMGPM-KRWDZBQOSA-N 0 0 406.423 4.430 20 5 HIBDRN Cc1c(Br)cc(-c2nc(-c3ccc4cnn(C)c4c3)no2)cc1[N+](=O)[O-] ZINC000546426497 940817696 /nfs/dbraw/zinc/81/76/96/940817696.db2.gz DVKAYULMZVYJJY-UHFFFAOYSA-N 0 0 414.219 4.269 20 5 HIBDRN O=[N+]([O-])c1ccc(-n2ccc(-c3nc(Cc4c[nH]c5ccc(F)cc45)no3)n2)cc1 ZINC000546454056 940824039 /nfs/dbraw/zinc/82/40/39/940824039.db2.gz TYFJHDDRWXUHDB-UHFFFAOYSA-N 0 0 404.361 4.042 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc(F)c(Br)c3)n2)ccc1[N+](=O)[O-] ZINC000546471352 940829275 /nfs/dbraw/zinc/82/92/75/940829275.db2.gz WYYHVUJQYXRTSI-UHFFFAOYSA-N 0 0 408.183 4.146 20 5 HIBDRN CCC[C@@H](NC(=O)c1ccccc1)c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000546485781 940832830 /nfs/dbraw/zinc/83/28/30/940832830.db2.gz MFHXGHHTEUKNJY-LJQANCHMSA-N 0 0 419.441 4.321 20 5 HIBDRN Cc1c(Cc2noc([C@]3(C)CCCN(C(=O)c4ccccc4)C3)n2)cccc1[N+](=O)[O-] ZINC000546484823 940832948 /nfs/dbraw/zinc/83/29/48/940832948.db2.gz HUCMBTBVOKAGBX-HSZRJFAPSA-N 0 0 420.469 4.071 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(-c3nc([C@H]4CCO[C@@H](C)C4)no3)cc2[N+](=O)[O-])C1 ZINC000546508217 940839116 /nfs/dbraw/zinc/83/91/16/940839116.db2.gz AFUDIVBIKGMGMM-FZKCQIBNSA-N 0 0 400.479 4.410 20 5 HIBDRN CO[C@H](c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1)c1ccccc1Cl ZINC000546519984 940841924 /nfs/dbraw/zinc/84/19/24/940841924.db2.gz IYLUDTCLQIWJAO-SFHVURJKSA-N 0 0 402.838 4.412 20 5 HIBDRN COc1cc(Br)cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000546537066 940847008 /nfs/dbraw/zinc/84/70/08/940847008.db2.gz LEUFNIBYDYFCDU-UHFFFAOYSA-N 0 0 411.227 4.421 20 5 HIBDRN CC(C)(C(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000546538967 940847301 /nfs/dbraw/zinc/84/73/01/940847301.db2.gz RQVZXZXKLOQHHO-UHFFFAOYSA-N 0 0 422.403 4.360 20 5 HIBDRN CC(C)(C(=O)NCc1cc(F)ccc1Br)c1ccc([N+](=O)[O-])cc1F ZINC000546539683 940847335 /nfs/dbraw/zinc/84/73/35/940847335.db2.gz SGWTZZCWBMESBB-UHFFFAOYSA-N 0 0 413.218 4.230 20 5 HIBDRN COc1ccc(CSCc2nc(CC3CCC(OC)CC3)no2)cc1[N+](=O)[O-] ZINC000546546260 940848910 /nfs/dbraw/zinc/84/89/10/940848910.db2.gz MSGSEABDWLAJMO-UHFFFAOYSA-N 0 0 407.492 4.168 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2cc(Cl)ccc2O[C@@H]2CCOC2)no1 ZINC000546557357 940852306 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CC(C)(NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000553107877 941834279 /nfs/dbraw/zinc/83/42/79/941834279.db2.gz ODBDPKUFLIXPMD-QZTJIDSGSA-N 0 0 421.856 4.452 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cccc3cc(Br)cnc32)c1[N+](=O)[O-] ZINC000553154003 941841513 /nfs/dbraw/zinc/84/15/13/941841513.db2.gz SVGAHRMIFHOOEW-UHFFFAOYSA-N 0 0 404.224 4.004 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000553224513 941852342 /nfs/dbraw/zinc/85/23/42/941852342.db2.gz FHMPUGMHMIMHIG-APWZRJJASA-N 0 0 400.475 4.448 20 5 HIBDRN COC(=O)c1cc(C(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2OC)cc([N+](=O)[O-])c1 ZINC000553235664 941854203 /nfs/dbraw/zinc/85/42/03/941854203.db2.gz QFFQISZIYBQSHW-IFXJQAMLSA-N 0 0 412.442 4.003 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H](c3cncc(Br)c3)C3CC3)cc2N1 ZINC000553253096 941857056 /nfs/dbraw/zinc/85/70/56/941857056.db2.gz UVZYZLULLMJIJD-GOSISDBHSA-N 0 0 417.263 4.200 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1[N+](=O)[O-] ZINC000553278593 941860106 /nfs/dbraw/zinc/86/01/06/941860106.db2.gz ZFXOLOHOQQUWPF-AWEZNQCLSA-N 0 0 412.368 4.221 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](COCc1ccccc1)c1ccccc1 ZINC000553313647 941866039 /nfs/dbraw/zinc/86/60/39/941866039.db2.gz UDCBTRDAZSYPGY-NRFANRHFSA-N 0 0 419.481 4.389 20 5 HIBDRN COc1ccc(C)cc1C1(CNc2ncnc3sc([N+](=O)[O-])cc32)CCOCC1 ZINC000553331910 941868895 /nfs/dbraw/zinc/86/88/95/941868895.db2.gz BWVXXBGTZGUCGN-UHFFFAOYSA-N 0 0 414.487 4.077 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000553348569 941871054 /nfs/dbraw/zinc/87/10/54/941871054.db2.gz RLSMRTGTLVKAIU-SUMWQHHRSA-N 0 0 424.375 4.020 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2NCc2cc(F)c(F)cc2Br)s1 ZINC000553388477 941877937 /nfs/dbraw/zinc/87/79/37/941877937.db2.gz DMXATTMJVQOXDP-UHFFFAOYSA-N 0 0 401.192 4.252 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000553508229 941898882 /nfs/dbraw/zinc/89/88/82/941898882.db2.gz JSSPIYCSLCXPSZ-INIZCTEOSA-N 0 0 404.264 4.114 20 5 HIBDRN CNc1nccc(C(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)c1[N+](=O)[O-] ZINC000553514321 941899951 /nfs/dbraw/zinc/89/99/51/941899951.db2.gz SGMNUMXAOIKNRF-UHFFFAOYSA-N 0 0 421.284 4.658 20 5 HIBDRN O=C(CCCc1nc2ccccc2s1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000553539792 941905079 /nfs/dbraw/zinc/90/50/79/941905079.db2.gz WOPCGKQYLZMBTQ-UHFFFAOYSA-N 0 0 407.455 4.352 20 5 HIBDRN O=[N+]([O-])c1c2cccnc2ccc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000553609437 941919967 /nfs/dbraw/zinc/91/99/67/941919967.db2.gz IUVCBBRHZOCMKR-IVZQSRNASA-N 0 0 405.458 4.037 20 5 HIBDRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000553631771 941927267 /nfs/dbraw/zinc/92/72/67/941927267.db2.gz UJSDMBCSMUXGRG-UHFFFAOYSA-N 0 0 405.389 4.418 20 5 HIBDRN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)ccc1C(F)(F)F ZINC000553659867 941937225 /nfs/dbraw/zinc/93/72/25/941937225.db2.gz LGSHQLWJRQCFKL-UHFFFAOYSA-N 0 0 409.364 4.011 20 5 HIBDRN CCN(CC(=O)N1CCCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000553691776 941945346 /nfs/dbraw/zinc/94/53/46/941945346.db2.gz CGZMLSWEDRTCOU-UHFFFAOYSA-N 0 0 421.563 4.208 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCc1cn(C)c2cc(Cl)ccc12 ZINC000553749285 941959252 /nfs/dbraw/zinc/95/92/52/941959252.db2.gz JXVPEOBUVBVUQR-UHFFFAOYSA-N 0 0 414.893 4.167 20 5 HIBDRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000553794775 941970729 /nfs/dbraw/zinc/97/07/29/941970729.db2.gz GNWLOSBRNGHAPG-AWEZNQCLSA-N 0 0 420.307 4.172 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)c1 ZINC000553802678 941972503 /nfs/dbraw/zinc/97/25/03/941972503.db2.gz HBUINIRADSHGAX-UHFFFAOYSA-N 0 0 412.486 4.359 20 5 HIBDRN CCOC(=O)c1cc(COC)cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1 ZINC000553819685 941976208 /nfs/dbraw/zinc/97/62/08/941976208.db2.gz KJXDUQJBJIZHJX-UHFFFAOYSA-N 0 0 400.431 4.095 20 5 HIBDRN CCO[C@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000553852158 941983122 /nfs/dbraw/zinc/98/31/22/941983122.db2.gz AQTCXPJEGBDLCA-IRXDYDNUSA-N 0 0 400.422 4.032 20 5 HIBDRN C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1OCCc2sccc21 ZINC000553859258 941985281 /nfs/dbraw/zinc/98/52/81/941985281.db2.gz RLQZRBQMQWKJCA-PSLIRLAXSA-N 0 0 400.378 4.107 20 5 HIBDRN Cc1nnsc1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000553862944 941986173 /nfs/dbraw/zinc/98/61/73/941986173.db2.gz LMSDZLDQBNUIQY-UHFFFAOYSA-N 0 0 420.903 4.489 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000554054654 942026502 /nfs/dbraw/zinc/02/65/02/942026502.db2.gz NNDZQPJZEIAZMA-NSHDSACASA-N 0 0 412.412 4.125 20 5 HIBDRN CC(C)(NC(=O)Cc1ccc(OCc2ccccn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000554052777 942026577 /nfs/dbraw/zinc/02/65/77/942026577.db2.gz UPFYBXJTBOWZAC-UHFFFAOYSA-N 0 0 405.454 4.163 20 5 HIBDRN CC(C)(NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000554063364 942027898 /nfs/dbraw/zinc/02/78/98/942027898.db2.gz DQDMRXOJSBDUOK-UHFFFAOYSA-N 0 0 415.453 4.053 20 5 HIBDRN CC(C)(NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1[N+](=O)[O-] ZINC000554069690 942029132 /nfs/dbraw/zinc/02/91/32/942029132.db2.gz BRUXLNRPVREEHE-MRXNPFEDSA-N 0 0 419.890 4.103 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000554367053 942116436 /nfs/dbraw/zinc/11/64/36/942116436.db2.gz SYVBVWNTSHACHH-GFCCVEGCSA-N 0 0 401.271 4.080 20 5 HIBDRN CCc1ccc([C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)C2)cc1 ZINC000554409592 942130610 /nfs/dbraw/zinc/13/06/10/942130610.db2.gz OHMRWCFZZHZEQV-GOSISDBHSA-N 0 0 405.454 4.100 20 5 HIBDRN CC(=O)c1ccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1Cl ZINC000554757002 942223196 /nfs/dbraw/zinc/22/31/96/942223196.db2.gz DPGYPGPMAZMCOK-UHFFFAOYSA-N 0 0 400.822 4.296 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccnc1C(F)(F)F ZINC000554756833 942223237 /nfs/dbraw/zinc/22/32/37/942223237.db2.gz CXVQLTJIGUVAPD-UHFFFAOYSA-N 0 0 408.258 4.349 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000554763726 942228168 /nfs/dbraw/zinc/22/81/68/942228168.db2.gz IWYHCZMQQYJKPL-NSHDSACASA-N 0 0 413.352 4.255 20 5 HIBDRN C[C@H](C(=O)Nc1ccc2nccnc2c1Br)c1ccc([N+](=O)[O-])cc1F ZINC000554767011 942229883 /nfs/dbraw/zinc/22/98/83/942229883.db2.gz MYQOHARQXDEJFT-VIFPVBQESA-N 0 0 419.210 4.182 20 5 HIBDRN CC(=O)CCc1ccc2oc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c(C)c2c1 ZINC000554772478 942230672 /nfs/dbraw/zinc/23/06/72/942230672.db2.gz CMDZOAJNGVRSGG-UHFFFAOYSA-N 0 0 408.454 4.486 20 5 HIBDRN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000554776464 942232720 /nfs/dbraw/zinc/23/27/20/942232720.db2.gz OGAVKWKORGHTRF-QKYXUNIQSA-N 0 0 400.500 4.398 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)c1 ZINC000554871642 942302922 /nfs/dbraw/zinc/30/29/22/942302922.db2.gz WOAVJVJQULVCNE-HXUWFJFHSA-N 0 0 408.458 4.248 20 5 HIBDRN COCc1c(Br)cccc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554876824 942305106 /nfs/dbraw/zinc/30/51/06/942305106.db2.gz UDAPCFATRDFCNR-UHFFFAOYSA-N 0 0 422.279 4.210 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000554960967 942334632 /nfs/dbraw/zinc/33/46/32/942334632.db2.gz DEIHIDCKWAOWHN-UZLBHIALSA-N 0 0 402.422 4.125 20 5 HIBDRN NC(=O)c1ccnc(Oc2ccc(-c3ccc(Br)cc3)cc2)c1[N+](=O)[O-] ZINC000555135824 942399138 /nfs/dbraw/zinc/39/91/38/942399138.db2.gz XIWXUWLXMMPHJE-UHFFFAOYSA-N 0 0 414.215 4.311 20 5 HIBDRN CC(C)c1noc(Cc2ccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2)n1 ZINC000555141846 942401907 /nfs/dbraw/zinc/40/19/07/942401907.db2.gz DBVDWOKMCOQTKN-UHFFFAOYSA-N 0 0 405.414 4.426 20 5 HIBDRN C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F ZINC000555154544 942407887 /nfs/dbraw/zinc/40/78/87/942407887.db2.gz SHMFDOPAJWRVTM-NSHDSACASA-N 0 0 410.243 4.099 20 5 HIBDRN C[C@@H](c1ccccc1F)N1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1=O ZINC000555208202 942432360 /nfs/dbraw/zinc/43/23/60/942432360.db2.gz BBXRFPNDRPXVDT-LRDDRELGSA-N 0 0 423.391 4.499 20 5 HIBDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000555218050 942434641 /nfs/dbraw/zinc/43/46/41/942434641.db2.gz IYRAVZPETQBMNU-LBPRGKRZSA-N 0 0 402.401 4.299 20 5 HIBDRN CCC(=O)c1ccc(N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000555240904 942442257 /nfs/dbraw/zinc/44/22/57/942442257.db2.gz FJLOWVUCTAYVHS-IFXJQAMLSA-N 0 0 413.449 4.491 20 5 HIBDRN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCN(CC(F)(F)F)CC1 ZINC000555296635 942466206 /nfs/dbraw/zinc/46/62/06/942466206.db2.gz TWQQAEKAOMUYLR-NSHDSACASA-N 0 0 415.437 4.202 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccccc1C ZINC000555304133 942469040 /nfs/dbraw/zinc/46/90/40/942469040.db2.gz JNPKTMRJCISYPI-UHFFFAOYSA-N 0 0 409.490 4.225 20 5 HIBDRN CCN(CC(=O)Nc1cccc(OC)c1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555315537 942473911 /nfs/dbraw/zinc/47/39/11/942473911.db2.gz KNNLCSIHLOFHDW-UHFFFAOYSA-N 0 0 411.380 4.083 20 5 HIBDRN Cc1cnc(-c2cnn(C)c2NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)o1 ZINC000555537929 942632307 /nfs/dbraw/zinc/63/23/07/942632307.db2.gz NLFXMEJKILPHRQ-UHFFFAOYSA-N 0 0 418.413 4.288 20 5 HIBDRN O=[N+]([O-])c1cccc(Br)c1OC[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000555565387 942644216 /nfs/dbraw/zinc/64/42/16/942644216.db2.gz YQZKGYDTSYPVLT-NSHDSACASA-N 0 0 420.181 4.359 20 5 HIBDRN O=[N+]([O-])c1nn(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1Br ZINC000555563084 942644738 /nfs/dbraw/zinc/64/47/38/942644738.db2.gz SCWLRRBJDVBTLP-UHFFFAOYSA-N 0 0 417.141 4.276 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000555737637 942716640 /nfs/dbraw/zinc/71/66/40/942716640.db2.gz ZGXNEHGSVOTQBX-HZPDHXFCSA-N 0 0 418.453 4.223 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 ZINC000555785409 942732600 /nfs/dbraw/zinc/73/26/00/942732600.db2.gz GALBEUVKESCEMJ-UHFFFAOYSA-N 0 0 420.263 4.058 20 5 HIBDRN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1OC ZINC000555810204 942741346 /nfs/dbraw/zinc/74/13/46/942741346.db2.gz LKETVAJRQZHCRT-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C[C@H](C)O2 ZINC000555847780 942751415 /nfs/dbraw/zinc/75/14/15/942751415.db2.gz WRLDOXHFTWUIRX-JTQLQIEISA-N 0 0 421.247 4.102 20 5 HIBDRN COc1cc(CN[C@@H](c2ccccc2)C(C)(C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000556067771 942800728 /nfs/dbraw/zinc/80/07/28/942800728.db2.gz HMLAGPHTSUFWNS-SFHVURJKSA-N 0 0 410.417 4.054 20 5 HIBDRN Cc1ccc(-c2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cs2)n1C ZINC000556158058 942812398 /nfs/dbraw/zinc/81/23/98/942812398.db2.gz NNAWLFGUYOERRV-UHFFFAOYSA-N 0 0 408.386 4.219 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000556223528 942820761 /nfs/dbraw/zinc/82/07/61/942820761.db2.gz MQXKBADBKJMGNR-UHFFFAOYSA-N 0 0 424.482 4.142 20 5 HIBDRN O=C1[C@H](SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1c1ccccc1F ZINC000556279257 942831731 /nfs/dbraw/zinc/83/17/31/942831731.db2.gz HRJBDERCYAPYFY-GOSISDBHSA-N 0 0 413.430 4.428 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3ccc(OCC(F)F)nc3)no2)c1 ZINC000556307586 942837951 /nfs/dbraw/zinc/83/79/51/942837951.db2.gz BEOAYBTZARKWQA-UHFFFAOYSA-N 0 0 416.262 4.370 20 5 HIBDRN CC(C)(C(=O)NCC1(c2ccccc2Br)CC1)c1ccccc1[N+](=O)[O-] ZINC000556317566 942839824 /nfs/dbraw/zinc/83/98/24/942839824.db2.gz SAUQYFPKNCABPZ-UHFFFAOYSA-N 0 0 417.303 4.483 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000556408945 942858774 /nfs/dbraw/zinc/85/87/74/942858774.db2.gz LABVPBHFEGXAME-OAHLLOKOSA-N 0 0 414.483 4.499 20 5 HIBDRN C[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1Br ZINC000556511467 942887866 /nfs/dbraw/zinc/88/78/66/942887866.db2.gz ASHNQFQCZIIYQY-CHWSQXEVSA-N 0 0 407.264 4.045 20 5 HIBDRN Cc1c(CNC(=O)C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)cccc1[N+](=O)[O-] ZINC000556556164 942897771 /nfs/dbraw/zinc/89/77/71/942897771.db2.gz RMYDKDHKERWVMP-UHFFFAOYSA-N 0 0 423.856 4.479 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)ccc1F ZINC000556641917 942925181 /nfs/dbraw/zinc/92/51/81/942925181.db2.gz VYMOTAUPMISGSQ-ZDUSSCGKSA-N 0 0 412.421 4.247 20 5 HIBDRN COc1ccc(Cc2nc(Cc3cc(F)cc(Br)c3)no2)cc1[N+](=O)[O-] ZINC000556807278 942933781 /nfs/dbraw/zinc/93/37/81/942933781.db2.gz VHWKSBLADXZEDM-UHFFFAOYSA-N 0 0 422.210 4.070 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](c4ccncc4)C3)cc2[N+](=O)[O-])C1 ZINC000556873059 942946866 /nfs/dbraw/zinc/94/68/66/942946866.db2.gz VWHDHQLYULDLQG-PXNSSMCTSA-N 0 0 408.502 4.246 20 5 HIBDRN COc1ccccc1C1(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000556892975 942954127 /nfs/dbraw/zinc/95/41/27/942954127.db2.gz RFALNLMDNFEAJV-NRFANRHFSA-N 0 0 406.486 4.138 20 5 HIBDRN Cn1ccnc1[C@@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000556892169 942954375 /nfs/dbraw/zinc/95/43/75/942954375.db2.gz IOQNJODOPMHAMW-FQEVSTJZSA-N 0 0 422.876 4.428 20 5 HIBDRN COc1ccc(-c2ccc(CN[C@@H](c3cccnc3)C(C)(C)CO)o2)c([N+](=O)[O-])c1 ZINC000556927788 942970588 /nfs/dbraw/zinc/97/05/88/942970588.db2.gz WMKHYEPNTSGNJP-NRFANRHFSA-N 0 0 411.458 4.108 20 5 HIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000556955768 942979578 /nfs/dbraw/zinc/97/95/78/942979578.db2.gz XYJVKKCSHMXZBX-ZIAGYGMSSA-N 0 0 419.466 4.769 20 5 HIBDRN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000556995914 942990641 /nfs/dbraw/zinc/99/06/41/942990641.db2.gz YZLYROWNLVJBPD-ZIAGYGMSSA-N 0 0 401.429 4.130 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H](c2cccc(F)c2)C1 ZINC000557006235 942992358 /nfs/dbraw/zinc/99/23/58/942992358.db2.gz IVXIPIJAWBHQNG-SFHVURJKSA-N 0 0 400.453 4.310 20 5 HIBDRN Cc1cc(CCC(=O)N(C)CCc2ccccc2[N+](=O)[O-])ccc1Br ZINC000557074368 943012652 /nfs/dbraw/zinc/01/26/52/943012652.db2.gz LJXWARZIOSGJFM-UHFFFAOYSA-N 0 0 405.292 4.299 20 5 HIBDRN CC(C)c1ccc(-c2noc(CCC(=O)N(C)CCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000557074379 943012931 /nfs/dbraw/zinc/01/29/31/943012931.db2.gz LPBIFUNWFWPOJR-UHFFFAOYSA-N 0 0 422.485 4.402 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000557154761 943034124 /nfs/dbraw/zinc/03/41/24/943034124.db2.gz NXHWAVBDWRKWPH-VQTJNVASSA-N 0 0 415.396 4.013 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000557195103 943046920 /nfs/dbraw/zinc/04/69/20/943046920.db2.gz DTIBQNOCKYPGPE-SFHVURJKSA-N 0 0 416.302 4.185 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000557225563 943056616 /nfs/dbraw/zinc/05/66/16/943056616.db2.gz QMRNYOOKVRCHRQ-AWEZNQCLSA-N 0 0 424.423 4.292 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000557304958 943069170 /nfs/dbraw/zinc/06/91/70/943069170.db2.gz DSJBDFVFBBPDFH-UHFFFAOYSA-N 0 0 422.485 4.345 20 5 HIBDRN COc1ccc(C(=O)c2ccccc2C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000557361267 943086476 /nfs/dbraw/zinc/08/64/76/943086476.db2.gz ALYLEXVTOUSCLL-UHFFFAOYSA-N 0 0 418.449 4.149 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)COC(c1ccccc1)c1ccccc1 ZINC000557361932 943086715 /nfs/dbraw/zinc/08/67/15/943086715.db2.gz CASMEUSPOFDBLC-UHFFFAOYSA-N 0 0 404.466 4.402 20 5 HIBDRN CC1(C)CC(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)ccc2O1 ZINC000557411087 943110748 /nfs/dbraw/zinc/11/07/48/943110748.db2.gz BNGRDCFGHSFVNA-UHFFFAOYSA-N 0 0 419.231 4.353 20 5 HIBDRN CCCN(CCc1ccccn1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000557471509 943149724 /nfs/dbraw/zinc/14/97/24/943149724.db2.gz NIBZUQZCXYAPDV-UHFFFAOYSA-N 0 0 421.447 4.449 20 5 HIBDRN CCc1onc(-c2ccccc2)c1-c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000557514145 943180259 /nfs/dbraw/zinc/18/02/59/943180259.db2.gz IFDJXDDOGMBLQJ-UHFFFAOYSA-N 0 0 406.398 4.462 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000557556753 943207037 /nfs/dbraw/zinc/20/70/37/943207037.db2.gz GMYUPPGBCPVPSJ-WFASDCNBSA-N 0 0 420.453 4.120 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000557669268 943254008 /nfs/dbraw/zinc/25/40/08/943254008.db2.gz CLJSUBLCEZMUMR-UHFFFAOYSA-N 0 0 408.458 4.189 20 5 HIBDRN O=c1[nH]c(N[C@H]2CSc3ccc(Br)cc32)nc2ccc([N+](=O)[O-])cc12 ZINC000557673370 943254830 /nfs/dbraw/zinc/25/48/30/943254830.db2.gz GNGGEFMPMXOYEV-ZDUSSCGKSA-N 0 0 419.260 4.265 20 5 HIBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCOC[C@@H]1CC(F)F ZINC000557724332 943269923 /nfs/dbraw/zinc/26/99/23/943269923.db2.gz SNLUTTJUDUOKQT-HNNXBMFYSA-N 0 0 408.426 4.242 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCO[C@H]2c2ccccc2)nc1OCc1ccccc1 ZINC000557740595 943276060 /nfs/dbraw/zinc/27/60/60/943276060.db2.gz FDZKQFXZGLRRCY-UGKGYDQZSA-N 0 0 405.454 4.759 20 5 HIBDRN Cc1cc(N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000557752216 943279221 /nfs/dbraw/zinc/27/92/21/943279221.db2.gz GEPYZNBGTCQXKN-CYBMUJFWSA-N 0 0 410.396 4.197 20 5 HIBDRN Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000557836930 943308242 /nfs/dbraw/zinc/30/82/42/943308242.db2.gz FDYUGGLIHAFFFS-IFMALSPDSA-N 0 0 421.497 4.010 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000557864059 943315706 /nfs/dbraw/zinc/31/57/06/943315706.db2.gz KFDYQYUHRDEZLW-UHFFFAOYSA-N 0 0 417.462 4.092 20 5 HIBDRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557869215 943316663 /nfs/dbraw/zinc/31/66/63/943316663.db2.gz SUAWABNDSVGRDE-LIRRHRJNSA-N 0 0 405.882 4.208 20 5 HIBDRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557869207 943316852 /nfs/dbraw/zinc/31/68/52/943316852.db2.gz SUAWABNDSVGRDE-AUUYWEPGSA-N 0 0 405.882 4.208 20 5 HIBDRN CC(C)CCSc1ccc(-c2nc(CC(=O)N3CCCCC3)no2)cc1[N+](=O)[O-] ZINC000557931767 943331855 /nfs/dbraw/zinc/33/18/55/943331855.db2.gz ZQFBEKKERUWJQW-UHFFFAOYSA-N 0 0 418.519 4.338 20 5 HIBDRN C/C=C\c1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000557956963 943339558 /nfs/dbraw/zinc/33/95/58/943339558.db2.gz BPBSSTXGXMMXBN-SIEMBAAWSA-N 0 0 413.499 4.118 20 5 HIBDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000557968019 943342289 /nfs/dbraw/zinc/34/22/89/943342289.db2.gz LZWRDEAPKAZFHU-CYBMUJFWSA-N 0 0 401.488 4.085 20 5 HIBDRN C[C@H](Oc1cccc(Br)c1)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000557978994 943345157 /nfs/dbraw/zinc/34/51/57/943345157.db2.gz RFJBOAZUAXUKGV-LBPRGKRZSA-N 0 0 407.264 4.176 20 5 HIBDRN C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Br)s1 ZINC000558152808 943397915 /nfs/dbraw/zinc/39/79/15/943397915.db2.gz XNTQGLWECIJJGE-SNVBAGLBSA-N 0 0 422.304 4.363 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1ncccn1 ZINC000558180679 943414324 /nfs/dbraw/zinc/41/43/24/943414324.db2.gz INSNJVLNGNJINX-UHFFFAOYSA-N 0 0 400.847 4.466 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1cccc2ccccc21 ZINC000558228443 943446896 /nfs/dbraw/zinc/44/68/96/943446896.db2.gz NNUQFSWXHCRFEX-LJQANCHMSA-N 0 0 407.426 4.482 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H](c1ccccc1)C1CC1 ZINC000558276135 943475758 /nfs/dbraw/zinc/47/57/58/943475758.db2.gz QVJOFQADOYINHI-QGZVFWFLSA-N 0 0 403.276 4.210 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000558282640 943481389 /nfs/dbraw/zinc/48/13/89/943481389.db2.gz AZRPQCGGJAMYRC-SUMWQHHRSA-N 0 0 416.503 4.480 20 5 HIBDRN CC(C)NC(=O)NCc1ccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cc1 ZINC000558293943 943488236 /nfs/dbraw/zinc/48/82/36/943488236.db2.gz ROVUBAWZMKGTPW-UHFFFAOYSA-N 0 0 424.501 4.392 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](CC)c2cccc(OC)c2)cc1OC ZINC000558298544 943491660 /nfs/dbraw/zinc/49/16/60/943491660.db2.gz OYTJMMXJRLONJW-KRWDZBQOSA-N 0 0 402.447 4.234 20 5 HIBDRN Cc1cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])ccc1NC(=O)c1ccco1 ZINC000558307705 943496287 /nfs/dbraw/zinc/49/62/87/943496287.db2.gz YECQMECGNWRXOL-UHFFFAOYSA-N 0 0 422.441 4.455 20 5 HIBDRN COc1cccc(-c2nc(CCc3ccccc3Br)no2)c1[N+](=O)[O-] ZINC000558333985 943512401 /nfs/dbraw/zinc/51/24/01/943512401.db2.gz GNIRKUAVHYGFSC-UHFFFAOYSA-N 0 0 404.220 4.201 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@H]3c3ccc(OC(F)(F)F)cc3)n2)nc1 ZINC000558365592 943528222 /nfs/dbraw/zinc/52/82/22/943528222.db2.gz VEDKHZQAGAHNPO-LSDHHAIUSA-N 0 0 406.320 4.133 20 5 HIBDRN O=C(NCCc1ccc(OC(F)(F)F)cc1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000558413711 943552856 /nfs/dbraw/zinc/55/28/56/943552856.db2.gz OPDJWSDINCMHGS-UHFFFAOYSA-N 0 0 422.281 4.485 20 5 HIBDRN CCCOc1cc(NC(=O)N2CC3(CCC3(F)F)C2)c([N+](=O)[O-])cc1OCCC ZINC000558476898 943570043 /nfs/dbraw/zinc/57/00/43/943570043.db2.gz ZFNUYXIPBAYVMJ-UHFFFAOYSA-N 0 0 413.421 4.435 20 5 HIBDRN Cc1cccc([C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C(F)(F)F)c1 ZINC000558496478 943575512 /nfs/dbraw/zinc/57/55/12/943575512.db2.gz GCYKKNUSFGUGMV-QGZVFWFLSA-N 0 0 409.364 4.111 20 5 HIBDRN CC(C)Oc1ccc(Cl)cc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000558505523 943579413 /nfs/dbraw/zinc/57/94/13/943579413.db2.gz JUBOEACEDCRTCZ-UHFFFAOYSA-N 0 0 407.858 4.101 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000558781292 943661247 /nfs/dbraw/zinc/66/12/47/943661247.db2.gz SHRHTQVUCJEGRA-UHFFFAOYSA-N 0 0 416.384 4.451 20 5 HIBDRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)c1 ZINC000558827533 943682237 /nfs/dbraw/zinc/68/22/37/943682237.db2.gz ZBVCLDRFVANQHW-UHFFFAOYSA-N 0 0 422.840 4.366 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(CSc2nnc(NCC(F)(F)F)s2)c1 ZINC000558831140 943683827 /nfs/dbraw/zinc/68/38/27/943683827.db2.gz BMGNLUARWBPKTN-UHFFFAOYSA-N 0 0 418.344 4.732 20 5 HIBDRN O=C(Nc1ncc(-c2ccccc2F)s1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000558948593 943768460 /nfs/dbraw/zinc/76/84/60/943768460.db2.gz KZOWTNNPLCIENM-UHFFFAOYSA-N 0 0 410.386 4.364 20 5 HIBDRN Cc1ccsc1-c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H]1CCCO1 ZINC000559099416 943839026 /nfs/dbraw/zinc/83/90/26/943839026.db2.gz CZJNZBAKFFFFHB-MRXNPFEDSA-N 0 0 413.503 4.039 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3C[C@@H]4CCCC[C@@H]4C3)n2C[C@H]2CCCCO2)c1 ZINC000559206199 943871846 /nfs/dbraw/zinc/87/18/46/943871846.db2.gz OBVZVOVOLDQGQO-WSTZPKSXSA-N 0 0 411.506 4.049 20 5 HIBDRN C[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ncc(Br)cn1 ZINC000559260225 943886672 /nfs/dbraw/zinc/88/66/72/943886672.db2.gz VRXROEKHYIPIDS-QMMMGPOBSA-N 0 0 405.174 4.017 20 5 HIBDRN Cc1cc(OCC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000559345872 943900801 /nfs/dbraw/zinc/90/08/01/943900801.db2.gz OVPGVVQKCZSTFX-KRWDZBQOSA-N 0 0 421.453 4.133 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(F)c2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000559478544 943973594 /nfs/dbraw/zinc/97/35/94/943973594.db2.gz INDQGCWUWBWGFS-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000559492658 943981578 /nfs/dbraw/zinc/98/15/78/943981578.db2.gz CXXWSFSPJXRRKU-SGTLLEGYSA-N 0 0 419.275 4.268 20 5 HIBDRN Cc1nc(C(C)(C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)sc1C ZINC000559579908 944010779 /nfs/dbraw/zinc/01/07/79/944010779.db2.gz DMIOONUYFCYCAW-UHFFFAOYSA-N 0 0 412.309 4.404 20 5 HIBDRN O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000559676019 944028216 /nfs/dbraw/zinc/02/82/16/944028216.db2.gz DMOLXIDZNMVETK-UHFFFAOYSA-N 0 0 416.359 4.218 20 5 HIBDRN COc1cc(Cc2noc(-c3cccc(F)c3Br)n2)ccc1[N+](=O)[O-] ZINC000559965789 944103217 /nfs/dbraw/zinc/10/32/17/944103217.db2.gz NMFMXEXTDNPBIP-UHFFFAOYSA-N 0 0 408.183 4.146 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000560073710 944149488 /nfs/dbraw/zinc/14/94/88/944149488.db2.gz ZLGPGPKOJCHPIJ-UHFFFAOYSA-N 0 0 403.482 4.256 20 5 HIBDRN CO[C@@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)cccc21 ZINC000560100377 944158873 /nfs/dbraw/zinc/15/88/73/944158873.db2.gz QOGGBXXCWZPPHL-MRXNPFEDSA-N 0 0 421.247 4.388 20 5 HIBDRN O=C(CCC(=O)c1ccc(F)cc1F)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560127216 944169461 /nfs/dbraw/zinc/16/94/61/944169461.db2.gz IJXCZCDZSNTDLQ-UHFFFAOYSA-N 0 0 413.174 4.237 20 5 HIBDRN COc1cc(OC)cc(Oc2ccc(CNC(=O)c3cc([N+](=O)[O-])cnc3C)cc2)c1 ZINC000560134028 944172965 /nfs/dbraw/zinc/17/29/65/944172965.db2.gz VBBSGXWAJVBMJD-UHFFFAOYSA-N 0 0 423.425 4.038 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 ZINC000560148068 944179101 /nfs/dbraw/zinc/17/91/01/944179101.db2.gz GFVWDIZAGUCOMU-UHFFFAOYSA-N 0 0 423.441 4.423 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000560216873 944199186 /nfs/dbraw/zinc/19/91/86/944199186.db2.gz DYMNFZOFBUWWEG-CTYIDZIISA-N 0 0 413.449 4.032 20 5 HIBDRN Cn1ccnc1[C@@H](NCCc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000560526515 944242446 /nfs/dbraw/zinc/24/24/46/944242446.db2.gz GCPDIJVPWCIHGX-SFHVURJKSA-N 0 0 404.392 4.269 20 5 HIBDRN Cn1ccnc1[C@@H](NCCc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000560530106 944243823 /nfs/dbraw/zinc/24/38/23/944243823.db2.gz ZOCDVHNTQGMGOR-SFHVURJKSA-N 0 0 415.291 4.013 20 5 HIBDRN Cn1ccnc1[C@@H](NCCc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000560546744 944250205 /nfs/dbraw/zinc/25/02/05/944250205.db2.gz YBGVJSCHUSJMMC-SFHVURJKSA-N 0 0 420.391 4.149 20 5 HIBDRN CC(=O)c1cccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1O ZINC000560549320 944250352 /nfs/dbraw/zinc/25/03/52/944250352.db2.gz DFIKIWRTTDWNBD-CYBMUJFWSA-N 0 0 420.425 4.323 20 5 HIBDRN CC(C)(C)C1=CCN(CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000560648414 944284099 /nfs/dbraw/zinc/28/40/99/944284099.db2.gz ZWGVGNXSVYQJLV-UHFFFAOYSA-N 0 0 403.526 4.089 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H](c2cccc(F)c2)C1 ZINC000560662765 944287198 /nfs/dbraw/zinc/28/71/98/944287198.db2.gz MFVJPMGBFPVRBG-CYBMUJFWSA-N 0 0 412.339 4.305 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)cs2)c1 ZINC000560680600 944292585 /nfs/dbraw/zinc/29/25/85/944292585.db2.gz LMTDSIRRTCEALG-OAHLLOKOSA-N 0 0 410.503 4.093 20 5 HIBDRN COCCC[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000560708273 944303083 /nfs/dbraw/zinc/30/30/83/944303083.db2.gz CCOJSEOVLZQCKA-OAHLLOKOSA-N 0 0 406.866 4.197 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000560783413 944329936 /nfs/dbraw/zinc/32/99/36/944329936.db2.gz PKHRNTOFTIFZCC-JOCHJYFZSA-N 0 0 403.438 4.346 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCO3)cc2[N+](=O)[O-])n1 ZINC000560800392 944336742 /nfs/dbraw/zinc/33/67/42/944336742.db2.gz NEOAXUONFAPKRL-ZBFHGGJFSA-N 0 0 419.528 4.295 20 5 HIBDRN COCC1(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CCC1 ZINC000560835426 944351102 /nfs/dbraw/zinc/35/11/02/944351102.db2.gz AVSLINPXJRZVDF-UHFFFAOYSA-N 0 0 420.849 4.348 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000560956409 944375888 /nfs/dbraw/zinc/37/58/88/944375888.db2.gz YQAUFTOCDDZDGY-ZDUSSCGKSA-N 0 0 402.463 4.279 20 5 HIBDRN COc1cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc2cccnc21 ZINC000561093985 944444848 /nfs/dbraw/zinc/44/48/48/944444848.db2.gz CMBBKSTYMPOEJF-UHFFFAOYSA-N 0 0 400.394 4.466 20 5 HIBDRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4ccc(SCCC(C)C)c([N+](=O)[O-])c4)[C@H]1[C@H]3C2 ZINC000561152063 944484230 /nfs/dbraw/zinc/48/42/30/944484230.db2.gz SMCJLYIMKGSUGO-IEYYFSCXSA-N 0 0 404.532 4.228 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2nc3c(cccc3Cl)[nH]2)cc1[N+](=O)[O-] ZINC000561216470 944517278 /nfs/dbraw/zinc/51/72/78/944517278.db2.gz NKWVHVNKRMFTPN-UHFFFAOYSA-N 0 0 406.851 4.005 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)n1 ZINC000561295669 944543036 /nfs/dbraw/zinc/54/30/36/944543036.db2.gz IUBHSJJGYPQWOL-UHFFFAOYSA-N 0 0 413.327 4.078 20 5 HIBDRN CCOc1cccc(N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000561335488 944555344 /nfs/dbraw/zinc/55/53/44/944555344.db2.gz DIGNYFKRPBCUHK-LJQANCHMSA-N 0 0 411.502 4.101 20 5 HIBDRN CN(Cc1ccc(Br)cc1Cl)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000561340687 944556807 /nfs/dbraw/zinc/55/68/07/944556807.db2.gz MVARNROEGLZBLD-UHFFFAOYSA-N 0 0 423.654 4.296 20 5 HIBDRN COc1ccccc1O[C@H]1CCCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000561355211 944561442 /nfs/dbraw/zinc/56/14/42/944561442.db2.gz GBGNJBAUPYEOLA-ZDUSSCGKSA-N 0 0 424.375 4.306 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000561394515 944576960 /nfs/dbraw/zinc/57/69/60/944576960.db2.gz VWIYADZYYMSDSP-SNVBAGLBSA-N 0 0 411.867 4.005 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1OCC ZINC000561441560 944600197 /nfs/dbraw/zinc/60/01/97/944600197.db2.gz QHHRTJBYYYSYSU-MRXNPFEDSA-N 0 0 415.490 4.337 20 5 HIBDRN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000561444836 944603437 /nfs/dbraw/zinc/60/34/37/944603437.db2.gz XOSDDCFZKSXGIL-CWFSZBLJSA-N 0 0 402.878 4.258 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)c1[N+](=O)[O-] ZINC000561646102 944724643 /nfs/dbraw/zinc/72/46/43/944724643.db2.gz ZXVIUOMLORYLJU-CYBMUJFWSA-N 0 0 412.421 4.089 20 5 HIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000561698449 944752807 /nfs/dbraw/zinc/75/28/07/944752807.db2.gz SKUMSJUVVLBGMU-KRWDZBQOSA-N 0 0 415.247 4.211 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Oc2ccccc2)nc1 ZINC000561771260 944789166 /nfs/dbraw/zinc/78/91/66/944789166.db2.gz USLBJXMEPRXAOC-UHFFFAOYSA-N 0 0 402.410 4.236 20 5 HIBDRN CCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1Br ZINC000561817068 944809611 /nfs/dbraw/zinc/80/96/11/944809611.db2.gz RAXBJYBCHQGAMQ-UHFFFAOYSA-N 0 0 420.307 4.232 20 5 HIBDRN C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000561838285 944817263 /nfs/dbraw/zinc/81/72/63/944817263.db2.gz UORGCWULEASBLV-ZUOKHONESA-N 0 0 409.467 4.151 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000561888158 944838613 /nfs/dbraw/zinc/83/86/13/944838613.db2.gz PEFZRUTZRNGIRY-HNNXBMFYSA-N 0 0 420.874 4.026 20 5 HIBDRN CSC[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000561907489 944850196 /nfs/dbraw/zinc/85/01/96/944850196.db2.gz INFFORKOGUVGDD-LBPRGKRZSA-N 0 0 402.466 4.175 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(C3(c4ccccc4)CCOCC3)no2)ccc1OC(F)F ZINC000561933085 944862465 /nfs/dbraw/zinc/86/24/65/944862465.db2.gz HXVJWEBIHWJBKW-UHFFFAOYSA-N 0 0 417.368 4.343 20 5 HIBDRN C[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)Oc1ccc(Cl)cc1 ZINC000561974528 944882840 /nfs/dbraw/zinc/88/28/40/944882840.db2.gz DTKQNUQROJBDQV-SNVBAGLBSA-N 0 0 402.756 4.464 20 5 HIBDRN CCc1cc(=O)c2cc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)ccc2[nH]1 ZINC000561988473 944888056 /nfs/dbraw/zinc/88/80/56/944888056.db2.gz ZXQXWEYREWCWEP-UHFFFAOYSA-N 0 0 405.332 4.270 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cccc1[N+](=O)[O-] 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/nfs/dbraw/zinc/13/73/66/846137366.db2.gz MMUUYOOTZSXVAP-VIFPVBQESA-N 0 0 419.484 4.150 20 5 HIBDRN C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000016210126 846138239 /nfs/dbraw/zinc/13/82/39/846138239.db2.gz LJHURWCQEDPFHH-MRVPVSSYSA-N 0 0 423.212 4.452 20 5 HIBDRN Cc1ccc(C2=CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)cc1 ZINC000016275942 846146081 /nfs/dbraw/zinc/14/60/81/846146081.db2.gz SKHQSAWFJBOUTF-UHFFFAOYSA-N 0 0 405.498 4.436 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)Nc1ccc2c(c1)OCCO2 ZINC000016324975 846153946 /nfs/dbraw/zinc/15/39/46/846153946.db2.gz FVYXHXWJPHWZKM-UHFFFAOYSA-N 0 0 412.423 4.112 20 5 HIBDRN CCn1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000016402550 846166041 /nfs/dbraw/zinc/16/60/41/846166041.db2.gz JOYQYXPFDGFPED-UHFFFAOYSA-N 0 0 401.806 4.018 20 5 HIBDRN CC(=O)CCc1ccc2oc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000016498459 846178792 /nfs/dbraw/zinc/17/87/92/846178792.db2.gz QGAXIYTWFMIULF-UHFFFAOYSA-N 0 0 409.442 4.013 20 5 HIBDRN CC(=O)CCc1ccc2oc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000016503558 846179734 /nfs/dbraw/zinc/17/97/34/846179734.db2.gz YXYXPPQMPDVEGS-UHFFFAOYSA-N 0 0 409.442 4.013 20 5 HIBDRN COc1cccc(-c2nc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)c1 ZINC000016516049 846180598 /nfs/dbraw/zinc/18/05/98/846180598.db2.gz KHEVBBSMLGIRAC-UHFFFAOYSA-N 0 0 410.499 4.049 20 5 HIBDRN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436339859 861648917 /nfs/dbraw/zinc/64/89/17/861648917.db2.gz FFJUZQFPEKQAFW-IBGZPJMESA-N 0 0 402.425 4.301 20 5 HIBDRN CCC[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000016723555 846200860 /nfs/dbraw/zinc/20/08/60/846200860.db2.gz HZFARXZDPFRINP-RHSMWYFYSA-N 0 0 400.431 4.058 20 5 HIBDRN COc1ccc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000016718325 846201083 /nfs/dbraw/zinc/20/10/83/846201083.db2.gz XDWMZLRIUSEKIW-UHFFFAOYSA-N 0 0 421.240 4.407 20 5 HIBDRN CSc1ccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1[N+](=O)[O-] ZINC000016777796 846209246 /nfs/dbraw/zinc/20/92/46/846209246.db2.gz UMDSBMWUAVEULT-UHFFFAOYSA-N 0 0 410.499 4.108 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000016862116 846216589 /nfs/dbraw/zinc/21/65/89/846216589.db2.gz LXBGZCVHTNTSBM-LBPRGKRZSA-N 0 0 421.247 4.158 20 5 HIBDRN CCOc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000017048798 846228526 /nfs/dbraw/zinc/22/85/26/846228526.db2.gz BYVPZBKDLNKCIA-KBPBESRZSA-N 0 0 418.471 4.045 20 5 HIBDRN CCCc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])sc1C ZINC000017057016 846228705 /nfs/dbraw/zinc/22/87/05/846228705.db2.gz COXRCCKZTZJZJP-LLVKDONJSA-N 0 0 406.460 4.110 20 5 HIBDRN C[C@@H](OC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000017669277 846263465 /nfs/dbraw/zinc/26/34/65/846263465.db2.gz JIVMXUCRIFCTIO-GFCCVEGCSA-N 0 0 402.834 4.311 20 5 HIBDRN C[C@H](OC(=O)COc1cccc2ccccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017667190 846263874 /nfs/dbraw/zinc/26/38/74/846263874.db2.gz ABCXNLASMGKRBA-AWEZNQCLSA-N 0 0 419.393 4.481 20 5 HIBDRN CCc1ccc(C(=O)CCC(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000017712059 846264280 /nfs/dbraw/zinc/26/42/80/846264280.db2.gz ZAIIGUXJUAMXJZ-CQSZACIVSA-N 0 0 423.425 4.475 20 5 HIBDRN COc1ccccc1-n1cnnc1S[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017717055 846264881 /nfs/dbraw/zinc/26/48/81/846264881.db2.gz AMHCPBGBBNYWJT-GFCCVEGCSA-N 0 0 424.442 4.087 20 5 HIBDRN COc1ccc(SCC(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000017899476 846274968 /nfs/dbraw/zinc/27/49/68/846274968.db2.gz SGXYCNDBLCLGRF-GFCCVEGCSA-N 0 0 415.427 4.050 20 5 HIBDRN Cc1ccc(-n2nnnc2S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000017988181 846282278 /nfs/dbraw/zinc/28/22/78/846282278.db2.gz DPXNQHSTEHMWGD-CYBMUJFWSA-N 0 0 423.458 4.091 20 5 HIBDRN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000018039817 846287485 /nfs/dbraw/zinc/28/74/85/846287485.db2.gz XNMPWJLZIFMTAG-UHFFFAOYSA-N 0 0 416.648 4.266 20 5 HIBDRN C[C@@H]1CC[C@H](C)N(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000436345781 861660668 /nfs/dbraw/zinc/66/06/68/861660668.db2.gz YZKYBGVPPMBCHA-KGLIPLIRSA-N 0 0 413.440 4.477 20 5 HIBDRN Cc1cccc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000018090243 846294161 /nfs/dbraw/zinc/29/41/61/846294161.db2.gz KHHBBOUCSQLQJZ-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN CSc1ccc(C(=O)N(C)Cc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000018107428 846295923 /nfs/dbraw/zinc/29/59/23/846295923.db2.gz XCLBQEWKIFHETF-UHFFFAOYSA-N 0 0 401.307 4.413 20 5 HIBDRN CN(Cc1ccc2ccccc2c1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000018123829 846300036 /nfs/dbraw/zinc/30/00/36/846300036.db2.gz SQMIEZPJQFFUMD-UHFFFAOYSA-N 0 0 419.437 4.095 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2I)c1 ZINC000018185376 846307633 /nfs/dbraw/zinc/30/76/33/846307633.db2.gz CEVFOSRKQBYSHJ-UHFFFAOYSA-N 0 0 414.224 4.174 20 5 HIBDRN CCn1cnnc1S[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000018966656 846350619 /nfs/dbraw/zinc/35/06/19/846350619.db2.gz YSSPYWWEZUXCIN-MRXNPFEDSA-N 0 0 417.878 4.332 20 5 HIBDRN COc1ccc(OCc2nnc(-c3ccc(Br)s3)o2)c([N+](=O)[O-])c1 ZINC000018972016 846350707 /nfs/dbraw/zinc/35/07/07/846350707.db2.gz VKSJFQJGWTYZOL-UHFFFAOYSA-N 0 0 412.221 4.056 20 5 HIBDRN Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000019170935 846355532 /nfs/dbraw/zinc/35/55/32/846355532.db2.gz GZPUPLMLPGQYSW-UHFFFAOYSA-N 0 0 418.833 4.010 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000019684528 846373294 /nfs/dbraw/zinc/37/32/94/846373294.db2.gz XQTGIZNGVXMSBV-UHFFFAOYSA-N 0 0 422.812 4.396 20 5 HIBDRN O=C(COC(=O)c1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000020820343 846390111 /nfs/dbraw/zinc/39/01/11/846390111.db2.gz JVJBGVHQJIIODJ-NRFANRHFSA-N 0 0 424.840 4.311 20 5 HIBDRN O=C(CSc1ncnc2ccccc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000020888400 846391901 /nfs/dbraw/zinc/39/19/01/846391901.db2.gz QWGAQVDOFXVRIG-UHFFFAOYSA-N 0 0 423.479 4.392 20 5 HIBDRN C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000020988248 846398698 /nfs/dbraw/zinc/39/86/98/846398698.db2.gz AHPGIUWUBOGKQV-GOSISDBHSA-N 0 0 418.449 4.369 20 5 HIBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc2c(ccc3ccccc23)s1 ZINC000021054766 846401665 /nfs/dbraw/zinc/40/16/65/846401665.db2.gz COXJSANIOMNEHQ-UHFFFAOYSA-N 0 0 420.450 4.116 20 5 HIBDRN C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021123889 846405875 /nfs/dbraw/zinc/40/58/75/846405875.db2.gz LYPYNKUFMXNDGC-HNNXBMFYSA-N 0 0 422.412 4.436 20 5 HIBDRN CC(C)COC[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccco1 ZINC000436351762 861673531 /nfs/dbraw/zinc/67/35/31/861673531.db2.gz KIPYAERKAWGFON-OAQYLSRUSA-N 0 0 404.466 4.418 20 5 HIBDRN C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000021228424 846420021 /nfs/dbraw/zinc/42/00/21/846420021.db2.gz PWYIHSBZGWVDPQ-LLVKDONJSA-N 0 0 418.858 4.497 20 5 HIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ncc(Cl)cc1Cl ZINC000021347311 846432826 /nfs/dbraw/zinc/43/28/26/846432826.db2.gz PBUIPUSVOSMVJN-SSDOTTSWSA-N 0 0 418.620 4.134 20 5 HIBDRN O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000021421928 846440174 /nfs/dbraw/zinc/44/01/74/846440174.db2.gz LBBLTCKFMZDNRZ-UHFFFAOYSA-N 0 0 406.826 4.304 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nccn1-c1cccc(Cl)c1 ZINC000021422011 846440335 /nfs/dbraw/zinc/44/03/35/846440335.db2.gz PJXSSSOKAUFLLT-UHFFFAOYSA-N 0 0 402.863 4.473 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000021740924 846489491 /nfs/dbraw/zinc/48/94/91/846489491.db2.gz LNRVLGPNPXWAQI-OLZOCXBDSA-N 0 0 422.890 4.149 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)CSc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000021740719 846489588 /nfs/dbraw/zinc/48/95/88/846489588.db2.gz HPVGPUIFVGKUBS-GFCCVEGCSA-N 0 0 408.863 4.219 20 5 HIBDRN C[C@@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021746113 846490714 /nfs/dbraw/zinc/49/07/14/846490714.db2.gz RSILJXGQNGBWIU-SNVBAGLBSA-N 0 0 403.851 4.153 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1c(F)cccc1Cl ZINC000021922004 846511846 /nfs/dbraw/zinc/51/18/46/846511846.db2.gz XWUQVBVZZFJMGJ-JTQLQIEISA-N 0 0 400.237 4.500 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)CCSc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000021971573 846515700 /nfs/dbraw/zinc/51/57/00/846515700.db2.gz WNUFXNVGEILQFI-ZDUSSCGKSA-N 0 0 406.435 4.095 20 5 HIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000022162515 846538657 /nfs/dbraw/zinc/53/86/57/846538657.db2.gz GDUPZRNKQHSAHM-UONOGXRCSA-N 0 0 414.483 4.230 20 5 HIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000022162142 846538835 /nfs/dbraw/zinc/53/88/35/846538835.db2.gz FLJKUZCLZDUAHT-GFCCVEGCSA-N 0 0 411.439 4.049 20 5 HIBDRN Cc1nc(CN2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 ZINC000022225775 846548139 /nfs/dbraw/zinc/54/81/39/846548139.db2.gz QSGZCMDZYAWLCI-UHFFFAOYSA-N 0 0 420.844 4.354 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc2c(cc1Cl)OCCO2 ZINC000022320102 846558520 /nfs/dbraw/zinc/55/85/20/846558520.db2.gz MUJWILZUHQNDKJ-UHFFFAOYSA-N 0 0 420.852 4.218 20 5 HIBDRN CN(C(=O)COC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000022470655 846575287 /nfs/dbraw/zinc/57/52/87/846575287.db2.gz NGIFVZPNOPGJDH-QFIPXVFZSA-N 0 0 422.412 4.139 20 5 HIBDRN CCCCSc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)s1 ZINC000022489678 846578187 /nfs/dbraw/zinc/57/81/87/846578187.db2.gz RYNZOUOMJDXWBB-UHFFFAOYSA-N 0 0 414.534 4.078 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1c2ccccc2CC[C@@H]1C ZINC000022548193 846584832 /nfs/dbraw/zinc/58/48/32/846584832.db2.gz AVXZZHHZSXQABF-STQMWFEESA-N 0 0 402.834 4.161 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000022551245 846585409 /nfs/dbraw/zinc/58/54/09/846585409.db2.gz 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O=C(COC(=O)c1cc2ccc(F)cc2s1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000026221701 847106517 /nfs/dbraw/zinc/10/65/17/847106517.db2.gz DKMKMRLUZMGMOH-UHFFFAOYSA-N 0 0 408.794 4.398 20 5 HIBDRN C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000026342272 847128174 /nfs/dbraw/zinc/12/81/74/847128174.db2.gz VHINBZXYCNBJKC-ZDUSSCGKSA-N 0 0 416.499 4.084 20 5 HIBDRN Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000026347782 847129924 /nfs/dbraw/zinc/12/99/24/847129924.db2.gz XFDGCDGOCKLIIH-UHFFFAOYSA-N 0 0 405.414 4.240 20 5 HIBDRN Cc1ccc(-n2cnnc2SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000026372778 847136695 /nfs/dbraw/zinc/13/66/95/847136695.db2.gz QEOVYTXZLGPQON-UHFFFAOYSA-N 0 0 411.487 4.222 20 5 HIBDRN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000026392047 847138810 /nfs/dbraw/zinc/13/88/10/847138810.db2.gz WQXYVDJTMQBDMI-OAHLLOKOSA-N 0 0 413.474 4.093 20 5 HIBDRN CC(C)c1ccc([C@@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000026392943 847138907 /nfs/dbraw/zinc/13/89/07/847138907.db2.gz FBADVRJTLHLVNX-FQEVSTJZSA-N 0 0 418.515 4.249 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H](Nc2ccccc2)C1 ZINC000436409007 861759054 /nfs/dbraw/zinc/75/90/54/861759054.db2.gz HUWRNWMYFBSUDU-MRXNPFEDSA-N 0 0 401.441 4.147 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCN(c2ccccc2O)CC1 ZINC000026527357 847163239 /nfs/dbraw/zinc/16/32/39/847163239.db2.gz LXGXRHIVRGMPNM-UHFFFAOYSA-N 0 0 418.453 4.006 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@H](Nc2ccccc2)C1 ZINC000436411235 861763389 /nfs/dbraw/zinc/76/33/89/861763389.db2.gz LNHCPASWPNWMAD-QGZVFWFLSA-N 0 0 419.431 4.286 20 5 HIBDRN Cc1ccc(C(=O)C2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000026639433 847178644 /nfs/dbraw/zinc/17/86/44/847178644.db2.gz JFTXUXLPUDPFIW-QGZVFWFLSA-N 0 0 409.486 4.134 20 5 HIBDRN Cc1ccc(C(=O)C2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c(C)c1 ZINC000026645242 847180134 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O=C(NCc1ccc(Br)s1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000029167061 847518312 /nfs/dbraw/zinc/51/83/12/847518312.db2.gz PMVKSODOHFEGOZ-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc([N+](=O)[O-])c1 ZINC000029357649 847551098 /nfs/dbraw/zinc/55/10/98/847551098.db2.gz SGWKXLBPKANAAO-UHFFFAOYSA-N 0 0 423.450 4.321 20 5 HIBDRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c2cnn(Cc3cccs3)c2n1 ZINC000029602232 847586634 /nfs/dbraw/zinc/58/66/34/847586634.db2.gz LEFVBRZVFCNVDR-UHFFFAOYSA-N 0 0 407.455 4.318 20 5 HIBDRN CC(C)(C)c1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N)cc1 ZINC000029738991 847612255 /nfs/dbraw/zinc/61/22/55/847612255.db2.gz UDGXFNZLMWFSAD-UHFFFAOYSA-N 0 0 413.503 4.069 20 5 HIBDRN C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000436461711 861812481 /nfs/dbraw/zinc/81/24/81/861812481.db2.gz ASGCDHDFLWPPAS-LURJTMIESA-N 0 0 411.324 4.057 20 5 HIBDRN Cc1ccc(Cc2cnc(NC(=O)COc3ccc([N+](=O)[O-])cc3)s2)cc1F ZINC000029878935 847639419 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404.444 4.136 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCn2c3ccccc3nc21 ZINC000030660729 847754239 /nfs/dbraw/zinc/75/42/39/847754239.db2.gz OEIKGOIHRFNHBG-UHFFFAOYSA-N 0 0 413.437 4.217 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000030777459 847774402 /nfs/dbraw/zinc/77/44/02/847774402.db2.gz JCIPTIVWMIQQDO-SECBINFHSA-N 0 0 412.204 4.032 20 5 HIBDRN COCc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1 ZINC000031133327 847827023 /nfs/dbraw/zinc/82/70/23/847827023.db2.gz SWHWWFZQJGMDGG-UHFFFAOYSA-N 0 0 422.437 4.472 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 ZINC000031226440 847847130 /nfs/dbraw/zinc/84/71/30/847847130.db2.gz YCBGQZDHUWRDQK-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN Cc1ccc(Oc2ccccc2NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000031295341 847859077 /nfs/dbraw/zinc/85/90/77/847859077.db2.gz XGJWDLSGZZYPOX-UHFFFAOYSA-N 0 0 419.437 4.454 20 5 HIBDRN CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000031307358 847860974 /nfs/dbraw/zinc/86/09/74/847860974.db2.gz MGEHXXQWBHBREO-HOTGVXAUSA-N 0 0 424.501 4.281 20 5 HIBDRN Cc1nc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)sc1-c1ccccc1 ZINC000031369793 847869620 /nfs/dbraw/zinc/86/96/20/847869620.db2.gz YNJHLIZZZXCTHE-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CCOc1cc(C(=O)Nc2cccc(OCc3ccccn3)c2)c([N+](=O)[O-])cc1OC ZINC000031454998 847888308 /nfs/dbraw/zinc/88/83/08/847888308.db2.gz OEYSCJAGNYYNEB-UHFFFAOYSA-N 0 0 423.425 4.228 20 5 HIBDRN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000031498356 847896129 /nfs/dbraw/zinc/89/61/29/847896129.db2.gz DNRRGDDBCXYITF-QGZVFWFLSA-N 0 0 401.463 4.301 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)ccc1OC(C)C ZINC000031516046 847898993 /nfs/dbraw/zinc/89/89/93/847898993.db2.gz DJRGKZBEHLKDSG-CQSZACIVSA-N 0 0 413.474 4.456 20 5 HIBDRN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000031660027 847924387 /nfs/dbraw/zinc/92/43/87/847924387.db2.gz RNOZWODISMJCIY-QHCPKHFHSA-N 0 0 401.422 4.229 20 5 HIBDRN Cn1cnnc1-c1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000031807283 847953620 /nfs/dbraw/zinc/95/36/20/847953620.db2.gz HYVPINUTSGKNNG-UHFFFAOYSA-N 0 0 414.425 4.386 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2nc3c(cccc3C)s2)cc1[N+](=O)[O-] ZINC000031877863 847959872 /nfs/dbraw/zinc/95/98/72/847959872.db2.gz BRGYJBUMGUHSFK-UHFFFAOYSA-N 0 0 403.485 4.393 20 5 HIBDRN CC(C)C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000031918972 847964674 /nfs/dbraw/zinc/96/46/74/847964674.db2.gz XRNMQDUVSBZYNY-UHFFFAOYSA-N 0 0 410.474 4.432 20 5 HIBDRN CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000031911625 847964876 /nfs/dbraw/zinc/96/48/76/847964876.db2.gz BYSXKBMRVGTPGU-UHFFFAOYSA-N 0 0 417.512 4.499 20 5 HIBDRN CCOc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc(OCC)c1OCC ZINC000031929690 847966514 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OOJDKNSNGOVGNS-HXUWFJFHSA-N 0 0 422.485 4.154 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1[N+](=O)[O-] ZINC000032531065 848042953 /nfs/dbraw/zinc/04/29/53/848042953.db2.gz YNHCTWFRZCPUHJ-UHFFFAOYSA-N 0 0 410.879 4.202 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2[N+](=O)[O-])C1 ZINC000032814472 848079273 /nfs/dbraw/zinc/07/92/73/848079273.db2.gz IDIUSGFBWUNHCU-INIZCTEOSA-N 0 0 422.485 4.210 20 5 HIBDRN Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000436598630 861863860 /nfs/dbraw/zinc/86/38/60/861863860.db2.gz BKXUQHBPDNVVLN-HXUWFJFHSA-N 0 0 419.437 4.109 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl ZINC000033168402 848117798 /nfs/dbraw/zinc/11/77/98/848117798.db2.gz PEDOPMXKFOJXFU-UHFFFAOYSA-N 0 0 400.822 4.473 20 5 HIBDRN O=C(NCCCCOc1ccc(Cl)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000033223902 848128766 /nfs/dbraw/zinc/12/87/66/848128766.db2.gz JGKGPCFLGUSPHZ-UHFFFAOYSA-N 0 0 414.849 4.023 20 5 HIBDRN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000036795973 848162618 /nfs/dbraw/zinc/16/26/18/848162618.db2.gz RXUAXBRGWDNCEX-AWEZNQCLSA-N 0 0 423.498 4.231 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000040882779 848199446 /nfs/dbraw/zinc/19/94/46/848199446.db2.gz KYLSYVYYWKYJMD-UHFFFAOYSA-N 0 0 414.399 4.196 20 5 HIBDRN O=C(Nc1cccnc1Oc1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041865570 848259216 /nfs/dbraw/zinc/25/92/16/848259216.db2.gz GWGVUCXTOWWPJC-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)cc1OC ZINC000041868608 848260144 /nfs/dbraw/zinc/26/01/44/848260144.db2.gz LJBDYJPWHVEDDL-FQEVSTJZSA-N 0 0 416.474 4.146 20 5 HIBDRN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C2CC2)o1 ZINC000041895169 848262574 /nfs/dbraw/zinc/26/25/74/848262574.db2.gz YLVVRINJJSPADA-RDTXWAMCSA-N 0 0 406.442 4.302 20 5 HIBDRN COc1ccc(CSc2nnc(COc3cc(C)ccc3C)o2)cc1[N+](=O)[O-] ZINC000042152060 848293841 /nfs/dbraw/zinc/29/38/41/848293841.db2.gz ZHPOQNZDCLBFQC-UHFFFAOYSA-N 0 0 401.444 4.475 20 5 HIBDRN CS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 ZINC000042220292 848304574 /nfs/dbraw/zinc/30/45/74/848304574.db2.gz ISMGTIIQCDWISR-UHFFFAOYSA-N 0 0 412.423 4.043 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000042918549 848366143 /nfs/dbraw/zinc/36/61/43/848366143.db2.gz WSLUGTDFYCBLES-OAHLLOKOSA-N 0 0 408.357 4.006 20 5 HIBDRN COc1ccc(C(=O)NCc2ccc(COCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000043091475 848382441 /nfs/dbraw/zinc/38/24/41/848382441.db2.gz WXZQYGLYLPRPHC-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)NCc1cccc(COCc2ccccc2)c1 ZINC000043092794 848383275 /nfs/dbraw/zinc/38/32/75/848383275.db2.gz JGIUQTBARFUEJU-UHFFFAOYSA-N 0 0 406.438 4.007 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C(F)(F)F ZINC000043900745 848487753 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COc1cc(C(=O)N2CCCc3cc(Cl)ccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000116880398 853335737 /nfs/dbraw/zinc/33/57/37/853335737.db2.gz LNJOGOYIFJYAFA-UHFFFAOYSA-N 0 0 412.776 4.451 20 5 HIBDRN Cc1ccc(NC(=O)C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)nc1 ZINC000117320945 853354334 /nfs/dbraw/zinc/35/43/34/853354334.db2.gz ROPPLCLTOMMOJE-UHFFFAOYSA-N 0 0 424.482 4.004 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000133749614 853371833 /nfs/dbraw/zinc/37/18/33/853371833.db2.gz SXHHUVNYPGZTAZ-UHFFFAOYSA-N 0 0 415.037 4.382 20 5 HIBDRN CCN(Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1)C(C)=O ZINC000138433351 853386157 /nfs/dbraw/zinc/38/61/57/853386157.db2.gz WTOIHXYDNFSQLV-CYBMUJFWSA-N 0 0 419.865 4.023 20 5 HIBDRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000139052789 853402808 /nfs/dbraw/zinc/40/28/08/853402808.db2.gz ZURJFSBACNOEHD-IIBYNOLFSA-N 0 0 413.474 4.055 20 5 HIBDRN NC(=O)CSc1ccccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000139705764 853418897 /nfs/dbraw/zinc/41/88/97/853418897.db2.gz BITPIEBRPUQICF-UHFFFAOYSA-N 0 0 422.466 4.168 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000139937307 853427129 /nfs/dbraw/zinc/42/71/29/853427129.db2.gz KHPMBONNMVYYAU-UHFFFAOYSA-N 0 0 420.385 4.082 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000141447621 853472409 /nfs/dbraw/zinc/47/24/09/853472409.db2.gz PPBAYNPMKRNERS-KPZWWZAWSA-N 0 0 412.471 4.442 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nnc(C(F)F)s3)cc2[N+](=O)[O-])C1 ZINC000144487348 853535623 /nfs/dbraw/zinc/53/56/23/853535623.db2.gz VNYPTPGZHVVJGQ-NXEZZACHSA-N 0 0 411.434 4.119 20 5 HIBDRN COc1ccc(OC)c(NC(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000145245137 853548560 /nfs/dbraw/zinc/54/85/60/853548560.db2.gz RXWSNEXFOBPQNN-UHFFFAOYSA-N 0 0 408.410 4.297 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2cccc(Br)c2)c1 ZINC000145479316 853551431 /nfs/dbraw/zinc/55/14/31/853551431.db2.gz BBHXUYDYRSPZDL-NSHDSACASA-N 0 0 409.305 4.440 20 5 HIBDRN C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146556623 853571596 /nfs/dbraw/zinc/57/15/96/853571596.db2.gz QSIBLJWXLHJLFT-JTQLQIEISA-N 0 0 411.892 4.240 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000147022753 853581113 /nfs/dbraw/zinc/58/11/13/853581113.db2.gz HWWYFXYCZSYAPB-HNNXBMFYSA-N 0 0 419.437 4.347 20 5 HIBDRN CCOc1cccc2cc([C@H](C)NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)oc21 ZINC000147127998 853583036 /nfs/dbraw/zinc/58/30/36/853583036.db2.gz YJFOXNNODKQWBO-ZDUSSCGKSA-N 0 0 414.414 4.005 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c1 ZINC000147177543 853583945 /nfs/dbraw/zinc/58/39/45/853583945.db2.gz MSPVUAMRHXBVKF-UHFFFAOYSA-N 0 0 416.327 4.273 20 5 HIBDRN Cc1cc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc([N+](=O)[O-])c1 ZINC000147397617 853587799 /nfs/dbraw/zinc/58/77/99/853587799.db2.gz FHVPCIHBHFSAAZ-HNNXBMFYSA-N 0 0 410.499 4.032 20 5 HIBDRN COc1cc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)ccc1[N+](=O)[O-] ZINC000147461751 853588990 /nfs/dbraw/zinc/58/89/90/853588990.db2.gz RSADBARLZCTNMP-UHFFFAOYSA-N 0 0 419.393 4.429 20 5 HIBDRN COc1cc(Br)cc(C)c1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000149588263 853626531 /nfs/dbraw/zinc/62/65/31/853626531.db2.gz UKZAAJTTWMTXRL-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN O=C(NCc1sccc1Br)c1cccc([N+](=O)[O-])c1Br ZINC000159140206 853645099 /nfs/dbraw/zinc/64/50/99/853645099.db2.gz TVUUGIOCKZAJRY-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1ccc(Cl)cc1)c1ccccc1Cl ZINC000195534075 853670342 /nfs/dbraw/zinc/67/03/42/853670342.db2.gz ZVROGJQVRVQGAN-UHFFFAOYSA-N 0 0 405.241 4.332 20 5 HIBDRN Cc1noc2nc(C(C)C)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)c12 ZINC000195574265 853691365 /nfs/dbraw/zinc/69/13/65/853691365.db2.gz BGAHNMRUHLELKZ-UHFFFAOYSA-N 0 0 406.345 4.417 20 5 HIBDRN Cc1ccc(-c2csc3ncn(CCOc4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 ZINC000195597623 853705615 /nfs/dbraw/zinc/70/56/15/853705615.db2.gz OUSRPTVDUBHVSK-UHFFFAOYSA-N 0 0 407.451 4.421 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000195608481 853711694 /nfs/dbraw/zinc/71/16/94/853711694.db2.gz TVXWYZKTCNKLRL-ZDUSSCGKSA-N 0 0 403.485 4.066 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC000195635755 853728989 /nfs/dbraw/zinc/72/89/89/853728989.db2.gz NVKHGXRWCGGFPK-CYBMUJFWSA-N 0 0 401.488 4.231 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000195640708 853732860 /nfs/dbraw/zinc/73/28/60/853732860.db2.gz TVTDAKWCPKMJBU-ZDUSSCGKSA-N 0 0 422.453 4.424 20 5 HIBDRN CSc1ccc(C(=O)NCCOc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000195643703 853734835 /nfs/dbraw/zinc/73/48/35/853734835.db2.gz JNTXEKGMSMAGEH-UHFFFAOYSA-N 0 0 400.378 4.144 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(Cc2ccccc2)c2ccncc2)cc([N+](=O)[O-])c1 ZINC000195661598 853743134 /nfs/dbraw/zinc/74/31/34/853743134.db2.gz URQLVMAKUPCWNE-UHFFFAOYSA-N 0 0 405.410 4.014 20 5 HIBDRN CCOc1cc(C(=O)N(Cc2ccccc2)c2ccncc2)c([N+](=O)[O-])cc1OC ZINC000195661535 853743477 /nfs/dbraw/zinc/74/34/77/853743477.db2.gz LIXKHQYLGVQTEY-UHFFFAOYSA-N 0 0 407.426 4.244 20 5 HIBDRN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000437263024 862495715 /nfs/dbraw/zinc/49/57/15/862495715.db2.gz PRSRBLDQWMOLEN-QGZVFWFLSA-N 0 0 424.501 4.440 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000195669243 853748251 /nfs/dbraw/zinc/74/82/51/853748251.db2.gz ICZCQUXJPNMZGT-CQSZACIVSA-N 0 0 401.271 4.427 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(C(=O)NCc3ccccn3)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000195692258 853761830 /nfs/dbraw/zinc/76/18/30/853761830.db2.gz SOHNVTRFPCIRFK-UHFFFAOYSA-N 0 0 424.844 4.134 20 5 HIBDRN C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000195697079 853764620 /nfs/dbraw/zinc/76/46/20/853764620.db2.gz HXGMEJQJEIQGLI-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN Cc1nn(Cc2ccccc2)c2sc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc12 ZINC000195704507 853769429 /nfs/dbraw/zinc/76/94/29/853769429.db2.gz HKMOGTADHJZKRM-UHFFFAOYSA-N 0 0 406.467 4.293 20 5 HIBDRN Cc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccccc3)s2)cc1[N+](=O)[O-] ZINC000209438502 853810242 /nfs/dbraw/zinc/81/02/42/853810242.db2.gz CHQKCAJNHSJMQS-OQLLNIDSSA-N 0 0 414.874 4.422 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCN(c2ccccc2)CC1 ZINC000215726967 853836978 /nfs/dbraw/zinc/83/69/78/853836978.db2.gz PBFXMOYZNOIQKL-UHFFFAOYSA-N 0 0 408.483 4.071 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000216077096 853843167 /nfs/dbraw/zinc/84/31/67/853843167.db2.gz WEALJFPPUSSVHE-JOCHJYFZSA-N 0 0 404.470 4.153 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3c3cccn3C)cc2[N+](=O)[O-])C1 ZINC000216413248 853852560 /nfs/dbraw/zinc/85/25/60/853852560.db2.gz VTINAXGGISVPRZ-CBGDNZLLSA-N 0 0 410.518 4.393 20 5 HIBDRN CC(C)CCn1c(=O)c2ccccc2nc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000216811169 853858622 /nfs/dbraw/zinc/85/86/22/853858622.db2.gz UQAOXKPVEKGWRA-UHFFFAOYSA-N 0 0 411.483 4.326 20 5 HIBDRN O=C(Nc1cccc(Oc2ccncc2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000217156514 853860355 /nfs/dbraw/zinc/86/03/55/853860355.db2.gz FYBSXXWXLBZMHX-UHFFFAOYSA-N 0 0 419.441 4.136 20 5 HIBDRN CCOc1ccc(N(C(=O)Cn2cc([N+](=O)[O-])cn2)c2nc3ccccc3s2)cc1 ZINC000219528685 853869676 /nfs/dbraw/zinc/86/96/76/853869676.db2.gz HBOXORSKBSQMOG-UHFFFAOYSA-N 0 0 423.454 4.165 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1I ZINC000230204018 853895116 /nfs/dbraw/zinc/89/51/16/853895116.db2.gz MXUDCMVQIKQGRV-UHFFFAOYSA-N 0 0 416.602 4.034 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1Oc1cccc(I)c1 ZINC000236113563 853898564 /nfs/dbraw/zinc/89/85/64/853898564.db2.gz JNOKHSJXVBSCHD-UHFFFAOYSA-N 0 0 410.089 4.406 20 5 HIBDRN Cc1ccc(C(C)C)c(Oc2ccc(CN[C@@H](C)CS(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000236741083 853918556 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408.458 4.165 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNCc3cc(Cl)c4c(c3)OCCO4)cs2)c1 ZINC000237825004 854104096 /nfs/dbraw/zinc/10/40/96/854104096.db2.gz PLXQBVBIEMSKBN-UHFFFAOYSA-N 0 0 417.874 4.433 20 5 HIBDRN Cn1cc(CNCc2cc(F)ccc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237931198 854120880 /nfs/dbraw/zinc/12/08/80/854120880.db2.gz GIRSJMRTYYOJGU-UHFFFAOYSA-N 0 0 419.254 4.187 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNc3ccccc3N3CCC(O)CC3)cs2)c1 ZINC000238162622 854149384 /nfs/dbraw/zinc/14/93/84/854149384.db2.gz SNJICKMJNBAUDR-UHFFFAOYSA-N 0 0 410.499 4.292 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C ZINC000248043224 854175607 /nfs/dbraw/zinc/17/56/07/854175607.db2.gz UKTORXHZIZSBHC-UHFFFAOYSA-N 0 0 424.438 4.141 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CSc1n[nH]c(-c2cc(Cl)ccc2OC)n1 ZINC000255932502 854221468 /nfs/dbraw/zinc/22/14/68/854221468.db2.gz YVUCUOGKQIAKDQ-UHFFFAOYSA-N 0 0 406.851 4.343 20 5 HIBDRN 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855090562 /nfs/dbraw/zinc/09/05/62/855090562.db2.gz PDBNGNJBHZWKSW-UHFFFAOYSA-N 0 0 400.456 4.208 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)cc([N+](=O)[O-])c1 ZINC000303660475 855113473 /nfs/dbraw/zinc/11/34/73/855113473.db2.gz DDXOWZYWZZIJGT-UHFFFAOYSA-N 0 0 422.441 4.251 20 5 HIBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000303725428 855153330 /nfs/dbraw/zinc/15/33/30/855153330.db2.gz SSFMTIYONNQULH-FQEVSTJZSA-N 0 0 415.877 4.026 20 5 HIBDRN CC[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1F ZINC000303804722 855209389 /nfs/dbraw/zinc/20/93/89/855209389.db2.gz XQJGQQYODYDMBK-GOSISDBHSA-N 0 0 403.429 4.357 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1 ZINC000303816727 855219110 /nfs/dbraw/zinc/21/91/10/855219110.db2.gz WLKBRGSZGVRPDH-UHFFFAOYSA-N 0 0 419.187 4.142 20 5 HIBDRN COc1ccc(Br)cc1SCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303838402 855236500 /nfs/dbraw/zinc/23/65/00/855236500.db2.gz HXEGTKBFCYWTTJ-UHFFFAOYSA-N 0 0 423.288 4.047 20 5 HIBDRN COc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000303928408 855297299 /nfs/dbraw/zinc/29/72/99/855297299.db2.gz QCLNNHXJIFVYQM-UHFFFAOYSA-N 0 0 407.835 4.478 20 5 HIBDRN O=C(NCc1nc(C(F)(F)F)cs1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303941350 855306767 /nfs/dbraw/zinc/30/67/67/855306767.db2.gz YNEWDNJYKJOVPC-UHFFFAOYSA-N 0 0 414.390 4.124 20 5 HIBDRN O=C(Nc1cc(I)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000312763297 855373015 /nfs/dbraw/zinc/37/30/15/855373015.db2.gz MGSLRVFHJLUZIR-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1C(F)(F)F ZINC000326267395 855408564 /nfs/dbraw/zinc/40/85/64/855408564.db2.gz UGAMLBRTUHZUQF-UHFFFAOYSA-N 0 0 403.154 4.306 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cc(Br)cc(C(F)(F)F)c2)n1 ZINC000327641241 855419252 /nfs/dbraw/zinc/41/92/52/855419252.db2.gz BRBHNJDOSRJFCZ-UHFFFAOYSA-N 0 0 421.125 4.350 20 5 HIBDRN O=C(NCc1ccc(-c2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000437377648 862684692 /nfs/dbraw/zinc/68/46/92/862684692.db2.gz PVYXDLMFVGERGI-UHFFFAOYSA-N 0 0 412.243 4.349 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1OC ZINC000437376891 862685018 /nfs/dbraw/zinc/68/50/18/862685018.db2.gz STSKSRMAGCXLIP-XHDPSFHLSA-N 0 0 408.813 4.081 20 5 HIBDRN CCCCC1CCC(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 ZINC000409490140 855507205 /nfs/dbraw/zinc/50/72/05/855507205.db2.gz DPMKSYDOPRHFIO-UHFFFAOYSA-N 0 0 417.535 4.353 20 5 HIBDRN O=c1ccccn1C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccccc1 ZINC000409518299 855519796 /nfs/dbraw/zinc/51/97/96/855519796.db2.gz FNYZQNLVXZBBAP-INIZCTEOSA-N 0 0 401.369 4.211 20 5 HIBDRN CCN(CC)C(=O)Cc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437381469 862692489 /nfs/dbraw/zinc/69/24/89/862692489.db2.gz FHAMXARFCASULB-UHFFFAOYSA-N 0 0 424.501 4.202 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](c1ccccc1)C1CCCC1 ZINC000409642739 855578959 /nfs/dbraw/zinc/57/89/59/855578959.db2.gz CDGNGVWAQMSOMQ-QFIPXVFZSA-N 0 0 423.469 4.331 20 5 HIBDRN CN(CCc1ccc(Cl)cc1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000409661070 855589608 /nfs/dbraw/zinc/58/96/08/855589608.db2.gz BOYWPEJKNABYLV-UHFFFAOYSA-N 0 0 403.685 4.387 20 5 HIBDRN C[C@@H](NC(=O)N[C@H]1CCOc2c(Br)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000409696321 855606853 /nfs/dbraw/zinc/60/68/53/855606853.db2.gz HCDQTLUDPQYQTF-BZNIZROVSA-N 0 0 420.263 4.241 20 5 HIBDRN CC(C)(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1Br ZINC000409795382 855657747 /nfs/dbraw/zinc/65/77/47/855657747.db2.gz IDUIOXYPBRJIQD-UHFFFAOYSA-N 0 0 403.276 4.220 20 5 HIBDRN COc1cc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OC ZINC000409815679 855669358 /nfs/dbraw/zinc/66/93/58/855669358.db2.gz KHMNYSYCSUHEBX-UHFFFAOYSA-N 0 0 424.251 4.005 20 5 HIBDRN O=C(CCSCc1ncc(Br)s1)Nc1ccccc1[N+](=O)[O-] ZINC000409835039 855678804 /nfs/dbraw/zinc/67/88/04/855678804.db2.gz GPWISYJDAJNCNO-UHFFFAOYSA-N 0 0 402.295 4.076 20 5 HIBDRN CCc1ccc(-c2noc(CSCCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000409835163 855679615 /nfs/dbraw/zinc/67/96/15/855679615.db2.gz HOMRKEBMRKRCCB-UHFFFAOYSA-N 0 0 412.471 4.469 20 5 HIBDRN Cc1ccccc1Cc1noc(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000409860425 855692694 /nfs/dbraw/zinc/69/26/94/855692694.db2.gz QMENMVLMLRORMC-UHFFFAOYSA-N 0 0 412.471 4.139 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000409943918 855738153 /nfs/dbraw/zinc/73/81/53/855738153.db2.gz PQQXRWPVIDKZEC-UHFFFAOYSA-N 0 0 422.437 4.121 20 5 HIBDRN COc1cc(F)c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1OC ZINC000410021571 855783308 /nfs/dbraw/zinc/78/33/08/855783308.db2.gz OTGLIEHTFYCDAP-ZDUSSCGKSA-N 0 0 417.437 4.240 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H]3C[C@@H](c4ccccc4C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000410152270 855840567 /nfs/dbraw/zinc/84/05/67/855840567.db2.gz WFFGDPMZOWDINA-MEMLXQNLSA-N 0 0 418.497 4.441 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)cc1[N+](=O)[O-] ZINC000410160455 855844077 /nfs/dbraw/zinc/84/40/77/855844077.db2.gz UCLUBPBDGYRMOS-UHFFFAOYSA-N 0 0 402.838 4.154 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000437393554 862727909 /nfs/dbraw/zinc/72/79/09/862727909.db2.gz QIVHBBUESDSVGK-AULYBMBSSA-N 0 0 404.348 4.166 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)[C@@H]2CCOC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000410232522 855873592 /nfs/dbraw/zinc/87/35/92/855873592.db2.gz SEZYKVFSQPEOCJ-TZMCWYRMSA-N 0 0 420.849 4.204 20 5 HIBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000410280102 855899270 /nfs/dbraw/zinc/89/92/70/855899270.db2.gz UHUMACSNBFSORT-ZDUSSCGKSA-N 0 0 422.407 4.166 20 5 HIBDRN COc1cc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000437395581 862734703 /nfs/dbraw/zinc/73/47/03/862734703.db2.gz OHNBSYKOGPMLNX-AULYBMBSSA-N 0 0 410.348 4.020 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000410305201 855917769 /nfs/dbraw/zinc/91/77/69/855917769.db2.gz UJTIZAJZEVPQHP-CQSZACIVSA-N 0 0 419.466 4.395 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000410330089 855932385 /nfs/dbraw/zinc/93/23/85/855932385.db2.gz WTDVKXSNJWGFHU-MOPGFXCFSA-N 0 0 410.518 4.103 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1ccn(C)c2=O ZINC000410368588 855955049 /nfs/dbraw/zinc/95/50/49/855955049.db2.gz WHQGYIDIMBBITK-UHFFFAOYSA-N 0 0 411.483 4.447 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC(c2ccc(Br)cc2)CC1 ZINC000410395676 855971788 /nfs/dbraw/zinc/97/17/88/855971788.db2.gz QUDHHOVTFXGEGQ-UHFFFAOYSA-N 0 0 419.275 4.142 20 5 HIBDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437398154 862742587 /nfs/dbraw/zinc/74/25/87/862742587.db2.gz VJEJYEDRYHNMDD-UHFFFAOYSA-N 0 0 408.458 4.448 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000410402382 855976969 /nfs/dbraw/zinc/97/69/69/855976969.db2.gz ZYJHHRJCGZHKNZ-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN O=C(N[C@@H](CC1CCCC1)c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425915697 855997403 /nfs/dbraw/zinc/99/74/03/855997403.db2.gz DNPSFUUNDDMLLU-FQEVSTJZSA-N 0 0 411.506 4.459 20 5 HIBDRN CSc1ccccc1N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000425987504 856032496 /nfs/dbraw/zinc/03/24/96/856032496.db2.gz ZWXYMTCXNGGZAI-UHFFFAOYSA-N 0 0 407.300 4.449 20 5 HIBDRN O=C(N[C@H]1CCOc2c(Cl)cccc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426005272 856041532 /nfs/dbraw/zinc/04/15/32/856041532.db2.gz RLYTZXDNKJIRNO-SFHVURJKSA-N 0 0 401.850 4.446 20 5 HIBDRN C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Oc1ccccc1F ZINC000426022264 856052831 /nfs/dbraw/zinc/05/28/31/856052831.db2.gz LHRVIVYVFWQZDQ-NSHDSACASA-N 0 0 415.343 4.019 20 5 HIBDRN CCOCCC1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCC1 ZINC000426060116 856080075 /nfs/dbraw/zinc/08/00/75/856080075.db2.gz GVKOJLQMISNCNQ-UHFFFAOYSA-N 0 0 417.428 4.400 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000426060947 856080804 /nfs/dbraw/zinc/08/08/04/856080804.db2.gz LWASXOWMWWITKL-OAHLLOKOSA-N 0 0 410.474 4.320 20 5 HIBDRN CC(C)(CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)Cc1cccc(Cl)c1 ZINC000426079341 856093141 /nfs/dbraw/zinc/09/31/41/856093141.db2.gz UHNBTLSXENNQBU-UHFFFAOYSA-N 0 0 419.913 4.060 20 5 HIBDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426096139 856106184 /nfs/dbraw/zinc/10/61/84/856106184.db2.gz JXXQLFLILSDKAX-UHFFFAOYSA-N 0 0 410.474 4.238 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000426119901 856120527 /nfs/dbraw/zinc/12/05/27/856120527.db2.gz LVSHEWMWJCVVAU-MRXNPFEDSA-N 0 0 415.465 4.494 20 5 HIBDRN C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000426201685 856172536 /nfs/dbraw/zinc/17/25/36/856172536.db2.gz QCMWSSOTQDIAPU-MRVPVSSYSA-N 0 0 422.816 4.326 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000426292479 856226655 /nfs/dbraw/zinc/22/66/55/856226655.db2.gz VIXKPRQEYMTGBQ-SECBINFHSA-N 0 0 414.220 4.165 20 5 HIBDRN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H](C)Cc1ccsc1 ZINC000426303095 856233055 /nfs/dbraw/zinc/23/30/55/856233055.db2.gz LANULPOZTNJSAK-GFCCVEGCSA-N 0 0 411.321 4.441 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(C3(Cc4ccccc4Br)CC3)n2)nc1 ZINC000426449852 856297441 /nfs/dbraw/zinc/29/74/41/856297441.db2.gz JOYITULZFZVJCV-UHFFFAOYSA-N 0 0 415.247 4.000 20 5 HIBDRN CC(C)(c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1ccc2c(c1)OCO2 ZINC000426458009 856301329 /nfs/dbraw/zinc/30/13/29/856301329.db2.gz HGOIQFGTDKWACA-UHFFFAOYSA-N 0 0 406.398 4.105 20 5 HIBDRN O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000426509479 856326412 /nfs/dbraw/zinc/32/64/12/856326412.db2.gz STKDHKLFDGEECD-KRWDZBQOSA-N 0 0 417.506 4.030 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)SCc2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000426547314 856342913 /nfs/dbraw/zinc/34/29/13/856342913.db2.gz ZROCMUATLHZRKA-LLVKDONJSA-N 0 0 412.414 4.465 20 5 HIBDRN Cc1cn2c(nc(C)c2-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)s1 ZINC000426556211 856346373 /nfs/dbraw/zinc/34/63/73/856346373.db2.gz AOPISNMHULNTKP-UHFFFAOYSA-N 0 0 410.459 4.238 20 5 HIBDRN CC(=O)N(c1nc(COc2ncc(C)cc2[N+](=O)[O-])cs1)c1ccc(F)cc1 ZINC000426576860 856356394 /nfs/dbraw/zinc/35/63/94/856356394.db2.gz MPZMQECAIOLVKV-UHFFFAOYSA-N 0 0 402.407 4.157 20 5 HIBDRN COC[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000426586424 856361308 /nfs/dbraw/zinc/36/13/08/856361308.db2.gz CDXMOMWVRJTZBF-GOSISDBHSA-N 0 0 403.866 4.310 20 5 HIBDRN CCc1ccc([C@H](NC(=O)COc2ncc(C)cc2[N+](=O)[O-])c2cccs2)cc1 ZINC000426609432 856372539 /nfs/dbraw/zinc/37/25/39/856372539.db2.gz ZBHVVXNOOWFOHJ-FQEVSTJZSA-N 0 0 411.483 4.207 20 5 HIBDRN C[C@@H](CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)[O-] ZINC000426629956 856382810 /nfs/dbraw/zinc/38/28/10/856382810.db2.gz SKVOIDGDFWBKQO-NSHDSACASA-N 0 0 411.252 4.208 20 5 HIBDRN CC(C)C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)[O-] ZINC000426666149 856401930 /nfs/dbraw/zinc/40/19/30/856401930.db2.gz OKHHDMMYEJXYDD-OAHLLOKOSA-N 0 0 411.252 4.206 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426672783 856406138 /nfs/dbraw/zinc/40/61/38/856406138.db2.gz BYMZOXJCFDMMKF-HXUWFJFHSA-N 0 0 405.410 4.122 20 5 HIBDRN Cc1nc(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc1C(=O)[O-] ZINC000426699020 856419244 /nfs/dbraw/zinc/41/92/44/856419244.db2.gz DQHWUMQOAVTSBO-UHFFFAOYSA-N 0 0 401.444 4.040 20 5 HIBDRN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000426706383 856423495 /nfs/dbraw/zinc/42/34/95/856423495.db2.gz SINGGKMQKLUNLX-WCXIOVBPSA-N 0 0 401.507 4.116 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000426706503 856423934 /nfs/dbraw/zinc/42/39/34/856423934.db2.gz UFYMGLSQUJRPMA-YOEHRIQHSA-N 0 0 403.866 4.119 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000426733192 856442347 /nfs/dbraw/zinc/44/23/47/856442347.db2.gz LOIDIEJCNPEBKS-LJQANCHMSA-N 0 0 424.844 4.063 20 5 HIBDRN COc1cccc(C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)[O-])c1 ZINC000426792799 856481290 /nfs/dbraw/zinc/48/12/90/856481290.db2.gz NYDPZXAUYJOBKK-LJQANCHMSA-N 0 0 412.467 4.117 20 5 HIBDRN COc1ccccc1-c1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000426810112 856491460 /nfs/dbraw/zinc/49/14/60/856491460.db2.gz HTCMCGVTTLGPFZ-FQEVSTJZSA-N 0 0 406.438 4.056 20 5 HIBDRN COc1ccccc1[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426816718 856494858 /nfs/dbraw/zinc/49/48/58/856494858.db2.gz LYSQTGIABDOMDM-JOCHJYFZSA-N 0 0 421.453 4.287 20 5 HIBDRN O=C([O-])[C@H](CCCc1ccccc1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426836028 856506412 /nfs/dbraw/zinc/50/64/12/856506412.db2.gz SQQLKYUYHFWKGG-IBGZPJMESA-N 0 0 411.483 4.284 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H](c1ccco1)c1ccccc1 ZINC000426878807 856524235 /nfs/dbraw/zinc/52/42/35/856524235.db2.gz LOHREYPWVKQLKO-OAQYLSRUSA-N 0 0 403.394 4.021 20 5 HIBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1OCC(=O)N1CCCC1 ZINC000426908422 856537180 /nfs/dbraw/zinc/53/71/80/856537180.db2.gz YBXFPGXYEQOLKZ-GOSISDBHSA-N 0 0 401.438 4.298 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000437441156 862810534 /nfs/dbraw/zinc/81/05/34/862810534.db2.gz UZQLXVJZIZSTQR-SHTZXODSSA-N 0 0 404.463 4.038 20 5 HIBDRN O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000427067411 856619075 /nfs/dbraw/zinc/61/90/75/856619075.db2.gz OMDLOKCBRYGBNJ-UHFFFAOYSA-N 0 0 408.332 4.307 20 5 HIBDRN C[C@H](CCO)C1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCC1 ZINC000427070531 856620540 /nfs/dbraw/zinc/62/05/40/856620540.db2.gz VTDZEHBAMGUWJY-QGZVFWFLSA-N 0 0 412.486 4.092 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000427105753 856641183 /nfs/dbraw/zinc/64/11/83/856641183.db2.gz AQJADVHGKIQGPG-UHFFFAOYSA-N 0 0 406.398 4.500 20 5 HIBDRN C[C@@H](CC(=O)c1ccco1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427141666 856666058 /nfs/dbraw/zinc/66/60/58/856666058.db2.gz FGPDVYWEELEGAB-HNNXBMFYSA-N 0 0 408.410 4.158 20 5 HIBDRN COc1cc(CN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)ccc1O ZINC000427153443 856673267 /nfs/dbraw/zinc/67/32/67/856673267.db2.gz RGTJOUKEBGOVAC-UHFFFAOYSA-N 0 0 421.453 4.193 20 5 HIBDRN Cc1c[nH]c(-c2ccccc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000427178514 856693915 /nfs/dbraw/zinc/69/39/15/856693915.db2.gz PEEGTWJPCMPFEU-LBPRGKRZSA-N 0 0 400.822 4.353 20 5 HIBDRN Cn1ccnc1SCc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000437464683 862826517 /nfs/dbraw/zinc/82/65/17/862826517.db2.gz CPAOHVLNXUQCKK-UHFFFAOYSA-N 0 0 412.471 4.018 20 5 HIBDRN COC(=O)[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000427213207 856715645 /nfs/dbraw/zinc/71/56/45/856715645.db2.gz UKDCOYATRUZDCY-MRXNPFEDSA-N 0 0 418.833 4.208 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000427250683 856736785 /nfs/dbraw/zinc/73/67/85/856736785.db2.gz TWUTZEYNLDMEJE-OAHLLOKOSA-N 0 0 419.437 4.347 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(C)c(Cc3cccc(Cl)c3)s2)n1 ZINC000427264301 856743215 /nfs/dbraw/zinc/74/32/15/856743215.db2.gz CZPHYKFQBWVITP-UHFFFAOYSA-N 0 0 405.867 4.073 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C)c(Cc2cccc(F)c2)s1 ZINC000427265365 856743229 /nfs/dbraw/zinc/74/32/29/856743229.db2.gz NDVBBKLCKRSCTQ-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(C)c(Cc3ccccc3Cl)s2)n1 ZINC000427266370 856743468 /nfs/dbraw/zinc/74/34/68/856743468.db2.gz JFRYTVJZXYFNBJ-UHFFFAOYSA-N 0 0 405.867 4.073 20 5 HIBDRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437469038 862831197 /nfs/dbraw/zinc/83/11/97/862831197.db2.gz DGFPPKBEJQXSEH-UHFFFAOYSA-N 0 0 424.432 4.298 20 5 HIBDRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000427305150 856762157 /nfs/dbraw/zinc/76/21/57/856762157.db2.gz QSDVDXPOTFFFMH-UHFFFAOYSA-N 0 0 413.455 4.162 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cccc(Oc3ccccn3)c2)cc([N+](=O)[O-])c1 ZINC000437473258 862834911 /nfs/dbraw/zinc/83/49/11/862834911.db2.gz GXLNIJXFLKSVOU-UHFFFAOYSA-N 0 0 407.382 4.211 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)[C@H]2CCCc3ccccc32)n1 ZINC000427376856 856800811 /nfs/dbraw/zinc/80/08/11/856800811.db2.gz UKKWZKKNJLQXDX-PZJWPPBQSA-N 0 0 404.470 4.402 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(CCSc2ccc(F)cc2)c2ccccc2)n1 ZINC000427377772 856800835 /nfs/dbraw/zinc/80/08/35/856800835.db2.gz QWMFKTSUPNFKSW-UHFFFAOYSA-N 0 0 414.462 4.389 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)c2ccccc2OCC(C)C)n1 ZINC000427377007 856801017 /nfs/dbraw/zinc/80/10/17/856801017.db2.gz VEDCCBVPUOGHGD-KRWDZBQOSA-N 0 0 402.495 4.363 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000427380640 856801607 /nfs/dbraw/zinc/80/16/07/856801607.db2.gz XRCKFTOBZCAMBO-KKSFZXQISA-N 0 0 404.470 4.030 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@H]2C)n1 ZINC000427380638 856801935 /nfs/dbraw/zinc/80/19/35/856801935.db2.gz XRCKFTOBZCAMBO-IERDGZPVSA-N 0 0 404.470 4.030 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2Br)C2CCCC2)n1 ZINC000427388667 856803308 /nfs/dbraw/zinc/80/33/08/856803308.db2.gz BKZLIZFJWANMDS-UHFFFAOYSA-N 0 0 421.295 4.159 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)n1 ZINC000427387127 856803397 /nfs/dbraw/zinc/80/33/97/856803397.db2.gz OHLRFUVPTFIHFG-UHFFFAOYSA-N 0 0 422.420 4.065 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(c2cc3c(cc2Cl)OCO3)C2CCCCC2)n1 ZINC000427394765 856805005 /nfs/dbraw/zinc/80/50/05/856805005.db2.gz KOGCFMWGFXXDCP-UHFFFAOYSA-N 0 0 420.853 4.173 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)n1 ZINC000427398349 856806066 /nfs/dbraw/zinc/80/60/66/856806066.db2.gz KMWMSUBBSIXPLE-GOSISDBHSA-N 0 0 410.861 4.404 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)n1 ZINC000427443533 856822879 /nfs/dbraw/zinc/82/28/79/856822879.db2.gz LUKZTQUUZGSVGR-GOSISDBHSA-N 0 0 416.840 4.432 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)n1 ZINC000427447260 856824185 /nfs/dbraw/zinc/82/41/85/856824185.db2.gz VHMKDCHMPADELP-KRWDZBQOSA-N 0 0 404.898 4.386 20 5 HIBDRN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427459293 856829984 /nfs/dbraw/zinc/82/99/84/856829984.db2.gz LWFZKEWHZSODTQ-FQEVSTJZSA-N 0 0 421.844 4.381 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000427552927 856862965 /nfs/dbraw/zinc/86/29/65/856862965.db2.gz METAEDFPQKSBNG-RYGJVYDSSA-N 0 0 400.500 4.330 20 5 HIBDRN O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000427561274 856866983 /nfs/dbraw/zinc/86/69/83/856866983.db2.gz BJHOUMKSEGRNEB-QVKFZJNVSA-N 0 0 414.483 4.172 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(C3CCC3)cc2)ccc1[N+](=O)[O-] ZINC000427568198 856869838 /nfs/dbraw/zinc/86/98/38/856869838.db2.gz DNDAQPKDRSNQOX-QFIPXVFZSA-N 0 0 421.497 4.092 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccco3)nn2-c2cc(C)cc(C)c2)n1 ZINC000427601848 856884282 /nfs/dbraw/zinc/88/42/82/856884282.db2.gz MUNLBXJHLOYDBL-UHFFFAOYSA-N 0 0 420.429 4.126 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCc2cc(Br)cc(F)c21 ZINC000427609322 856887223 /nfs/dbraw/zinc/88/72/23/856887223.db2.gz MUOTVWOLFZAKAD-UHFFFAOYSA-N 0 0 409.211 4.098 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)cc([N+](=O)[O-])c1 ZINC000437493417 862850897 /nfs/dbraw/zinc/85/08/97/862850897.db2.gz FPFMCSOPXQVBQS-FZKQIMNGSA-N 0 0 400.431 4.286 20 5 HIBDRN COCCN(Cc1ccc(Br)s1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000427734334 856929042 /nfs/dbraw/zinc/92/90/42/856929042.db2.gz CVXBGRQXODCLPC-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN COCCN(Cc1ccc(Br)s1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000427742105 856934403 /nfs/dbraw/zinc/93/44/03/856934403.db2.gz OOUZKONTKULDEX-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN COCCN(Cc1ccc(Br)s1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000427755363 856939563 /nfs/dbraw/zinc/93/95/63/856939563.db2.gz DZSZCLGKFCVZOU-UHFFFAOYSA-N 0 0 419.322 4.078 20 5 HIBDRN CN(Cc1ccc(Br)c(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000427755224 856940082 /nfs/dbraw/zinc/94/00/82/856940082.db2.gz GEXLVCNJHDTPJW-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000427791382 856956865 /nfs/dbraw/zinc/95/68/65/856956865.db2.gz WQDIBOFAGZOJTO-UHFFFAOYSA-N 0 0 416.393 4.162 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000427828750 856973552 /nfs/dbraw/zinc/97/35/52/856973552.db2.gz QCXJERWQQMYZRL-UHFFFAOYSA-N 0 0 416.503 4.125 20 5 HIBDRN Cc1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)ncc1Br ZINC000427842238 856977533 /nfs/dbraw/zinc/97/75/33/856977533.db2.gz JYDWUHIYSJOVAG-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN Cc1cc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1C1CC1 ZINC000427893805 856995742 /nfs/dbraw/zinc/99/57/42/856995742.db2.gz KMLHWVWELRAPHW-UHFFFAOYSA-N 0 0 421.375 4.054 20 5 HIBDRN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1cccc(C(F)(F)F)c1 ZINC000427919322 857007313 /nfs/dbraw/zinc/00/73/13/857007313.db2.gz ZMBBZQSLRCENHS-LBPRGKRZSA-N 0 0 419.359 4.418 20 5 HIBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1NC(N)=O ZINC000427929719 857011561 /nfs/dbraw/zinc/01/15/61/857011561.db2.gz HNSHBVZZGQCHMU-UHFFFAOYSA-N 0 0 418.475 4.094 20 5 HIBDRN COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000427961853 857025080 /nfs/dbraw/zinc/02/50/80/857025080.db2.gz BKZWZDGTYHBSRR-LJQANCHMSA-N 0 0 424.472 4.062 20 5 HIBDRN COCCN1C(=O)CCc2cc(N[C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])ccc21 ZINC000427967258 857026126 /nfs/dbraw/zinc/02/61/26/857026126.db2.gz UDNFOARLCWIDGF-UWJYYQICSA-N 0 0 423.513 4.344 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427986999 857034122 /nfs/dbraw/zinc/03/41/22/857034122.db2.gz ISTYZJQMZUOISH-UHFFFAOYSA-N 0 0 411.241 4.092 20 5 HIBDRN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428014501 857042550 /nfs/dbraw/zinc/04/25/50/857042550.db2.gz OZMOSMKMZXFQAS-AWEZNQCLSA-N 0 0 413.861 4.265 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC[C@H](OCC3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000428106177 857072914 /nfs/dbraw/zinc/07/29/14/857072914.db2.gz CEYWNBAYHKZATI-LPHOPBHVSA-N 0 0 424.501 4.194 20 5 HIBDRN Cc1cccc(OCCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1C ZINC000428181790 857100556 /nfs/dbraw/zinc/10/05/56/857100556.db2.gz BFCOAPRHMTZUPK-UHFFFAOYSA-N 0 0 400.478 4.497 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C ZINC000428325652 857155080 /nfs/dbraw/zinc/15/50/80/857155080.db2.gz LZETVEYMMZLMCJ-LJQANCHMSA-N 0 0 422.485 4.015 20 5 HIBDRN CCOc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1Br ZINC000428442489 857205251 /nfs/dbraw/zinc/20/52/51/857205251.db2.gz UGADAUBBZYVQOT-UHFFFAOYSA-N 0 0 404.220 4.490 20 5 HIBDRN Cc1cc(I)cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000428503364 857229670 /nfs/dbraw/zinc/22/96/70/857229670.db2.gz LOXXYHUNDGLGPP-UHFFFAOYSA-N 0 0 410.211 4.093 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CCC[C@H]21 ZINC000428521734 857238571 /nfs/dbraw/zinc/23/85/71/857238571.db2.gz XLZPDAFBPPFTLV-HTAPYJJXSA-N 0 0 416.481 4.391 20 5 HIBDRN COc1cc(Cl)c(Br)cc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000428649873 857288973 /nfs/dbraw/zinc/28/89/73/857288973.db2.gz MRARRTJCPOCVGL-UHFFFAOYSA-N 0 0 411.639 4.222 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1cc(Cl)ccc1Cl ZINC000428681334 857295869 /nfs/dbraw/zinc/29/58/69/857295869.db2.gz NEYXYMUUUXWZCR-JTQLQIEISA-N 0 0 415.298 4.477 20 5 HIBDRN Cc1noc(C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2ccccc2)n1 ZINC000428679649 857295923 /nfs/dbraw/zinc/29/59/23/857295923.db2.gz LMKPHDDLIDFPPB-OAHLLOKOSA-N 0 0 403.236 4.445 20 5 HIBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cc(Br)c(F)cc1F ZINC000428711754 857306058 /nfs/dbraw/zinc/30/60/58/857306058.db2.gz OUBHFLMFANNLQZ-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN CC[C@]1(O)CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)C1 ZINC000428728644 857311811 /nfs/dbraw/zinc/31/18/11/857311811.db2.gz FWSGDSTWMSAUDH-FQEVSTJZSA-N 0 0 420.849 4.036 20 5 HIBDRN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428743257 857315275 /nfs/dbraw/zinc/31/52/75/857315275.db2.gz JNNRNGVFMBXLMM-DJCROIMJSA-N 0 0 422.457 4.022 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000428769208 857327642 /nfs/dbraw/zinc/32/76/42/857327642.db2.gz PBUKSRFJHRRBGB-UHFFFAOYSA-N 0 0 404.875 4.120 20 5 HIBDRN O=C(N[C@H]1CCCC[C@@H]1O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000428867238 857378377 /nfs/dbraw/zinc/37/83/77/857378377.db2.gz MEIPMQVPHJZCDL-HOTGVXAUSA-N 0 0 406.891 4.433 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2ncccc2Cl)CC1 ZINC000428973742 857441237 /nfs/dbraw/zinc/44/12/37/857441237.db2.gz CYUQJLKOFSHOMA-UHFFFAOYSA-N 0 0 423.300 4.428 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000429056603 857481770 /nfs/dbraw/zinc/48/17/70/857481770.db2.gz YFCWYAXTCGLQEH-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN COc1ccc(NC(=O)CN2CC[C@H](Sc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000429130921 857525220 /nfs/dbraw/zinc/52/52/20/857525220.db2.gz VUHGWKWVKGVHFT-INIZCTEOSA-N 0 0 421.906 4.062 20 5 HIBDRN CC(C)(NCC(=O)N[C@H](c1cccs1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429241817 857570131 /nfs/dbraw/zinc/57/01/31/857570131.db2.gz ZBPTTYAYOJCSOR-NRFANRHFSA-N 0 0 409.511 4.387 20 5 HIBDRN CCOc1cc(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])cc1OCC ZINC000429249698 857574598 /nfs/dbraw/zinc/57/45/98/857574598.db2.gz CCFOUYDJJIKAQI-INIZCTEOSA-N 0 0 421.494 4.348 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCC[C@@](CC)(CO)C2)c([N+](=O)[O-])cc1OCCC ZINC000429264507 857581827 /nfs/dbraw/zinc/58/18/27/857581827.db2.gz MUTCXHZKWZPHKA-OAQYLSRUSA-N 0 0 423.510 4.189 20 5 HIBDRN CCOc1cc(NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)c([N+](=O)[O-])cc1OCC ZINC000429272336 857584998 /nfs/dbraw/zinc/58/49/98/857584998.db2.gz NEAJOTFFZCTKQI-LBPRGKRZSA-N 0 0 403.439 4.204 20 5 HIBDRN O=C(Nc1ccnn1Cc1ccc(F)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000429573084 857757947 /nfs/dbraw/zinc/75/79/47/857757947.db2.gz XVVJKSLQUDQPFA-UHFFFAOYSA-N 0 0 409.421 4.175 20 5 HIBDRN COc1cc(OC)c(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000429645175 857816390 /nfs/dbraw/zinc/81/63/90/857816390.db2.gz QXHCSYHUCBTZFC-JTQLQIEISA-N 0 0 424.251 4.257 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000437632046 862956772 /nfs/dbraw/zinc/95/67/72/862956772.db2.gz UFHQLMXWXIURCJ-SWLSCSKDSA-N 0 0 410.257 4.266 20 5 HIBDRN COc1ccc(C)c2c1N(C(=O)c1ccc(Br)cc1[N+](=O)[O-])CCC2 ZINC000429794242 857887268 /nfs/dbraw/zinc/88/72/68/857887268.db2.gz WWISBWJGMALCOO-UHFFFAOYSA-N 0 0 405.248 4.267 20 5 HIBDRN CC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000429797140 857888699 /nfs/dbraw/zinc/88/86/99/857888699.db2.gz TUDODHKHUWGZJD-ZDUSSCGKSA-N 0 0 404.385 4.100 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000437635749 862963253 /nfs/dbraw/zinc/96/32/53/862963253.db2.gz LBXZOEHWCNXDKH-JCNLHEQBSA-N 0 0 407.392 4.402 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1ccco1)c1ccccn1 ZINC000429873049 857921207 /nfs/dbraw/zinc/92/12/07/857921207.db2.gz PSAJANDBSBTFRS-UHFFFAOYSA-N 0 0 402.204 4.192 20 5 HIBDRN CC(C)(C(=O)Nc1cccc(I)c1)c1ccccc1[N+](=O)[O-] ZINC000429910538 857941149 /nfs/dbraw/zinc/94/11/49/857941149.db2.gz NZOJGFGFZYLJNH-UHFFFAOYSA-N 0 0 410.211 4.116 20 5 HIBDRN CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000429919681 857947038 /nfs/dbraw/zinc/94/70/38/857947038.db2.gz CONZJGNZLYRAND-UHFFFAOYSA-N 0 0 409.236 4.041 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000430087358 858024782 /nfs/dbraw/zinc/02/47/82/858024782.db2.gz DGQVGYAOHWDPRD-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN NC(=O)c1ccc(CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)c(F)c1 ZINC000430100676 858032086 /nfs/dbraw/zinc/03/20/86/858032086.db2.gz MDHRYUXOLCRZHH-UHFFFAOYSA-N 0 0 409.417 4.257 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000430143206 858052309 /nfs/dbraw/zinc/05/23/09/858052309.db2.gz BNMMQAMLIRXZRO-NQIIRXRSSA-N 0 0 418.490 4.130 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cc(F)ccc2OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000430157579 858057885 /nfs/dbraw/zinc/05/78/85/858057885.db2.gz RBUMZEFTCOKLOI-UHFFFAOYSA-N 0 0 402.300 4.001 20 5 HIBDRN Cc1cc(=O)c2cc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)ccc2[nH]1 ZINC000430176734 858067330 /nfs/dbraw/zinc/06/73/30/858067330.db2.gz GOQAEPGWIPULCL-UHFFFAOYSA-N 0 0 413.408 4.223 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000430228263 858090061 /nfs/dbraw/zinc/09/00/61/858090061.db2.gz RTGITULBWRZFFW-INIZCTEOSA-N 0 0 423.469 4.437 20 5 HIBDRN COc1cc(Br)ccc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000430270268 858103668 /nfs/dbraw/zinc/10/36/68/858103668.db2.gz USSISZWMBPDRJH-UHFFFAOYSA-N 0 0 422.279 4.100 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN(CCc3ccccn3)Cc3cccnc3)co2)cc1 ZINC000430341888 858127320 /nfs/dbraw/zinc/12/73/20/858127320.db2.gz WGRQSUXZHFIRRY-UHFFFAOYSA-N 0 0 415.453 4.285 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000430373407 858138626 /nfs/dbraw/zinc/13/86/26/858138626.db2.gz IAGXKEIZPJAWHG-UHFFFAOYSA-N 0 0 423.391 4.112 20 5 HIBDRN COc1cc(OCC(=O)N2CCCSc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC000430429340 858157747 /nfs/dbraw/zinc/15/77/47/858157747.db2.gz JCNYIZNOMHIWNE-UHFFFAOYSA-N 0 0 408.863 4.165 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000430442601 858166668 /nfs/dbraw/zinc/16/66/68/858166668.db2.gz YRZBLAYSGYMVDJ-GASCZTMLSA-N 0 0 400.818 4.377 20 5 HIBDRN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000430448691 858170047 /nfs/dbraw/zinc/17/00/47/858170047.db2.gz LUDBUSAOHIXLAZ-SECBINFHSA-N 0 0 407.213 4.443 20 5 HIBDRN O=C(NCCc1nc(-c2ccccn2)cs1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437656029 862992456 /nfs/dbraw/zinc/99/24/56/862992456.db2.gz NADFQGXZUPEKCE-UHFFFAOYSA-N 0 0 422.388 4.105 20 5 HIBDRN COc1cc(C(=O)N2CCCSc3ccc(Cl)cc32)cc([N+](=O)[O-])c1OC ZINC000430455261 858173696 /nfs/dbraw/zinc/17/36/96/858173696.db2.gz ACBFMKPHMUNWNA-UHFFFAOYSA-N 0 0 408.863 4.408 20 5 HIBDRN CC[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC000430459721 858176307 /nfs/dbraw/zinc/17/63/07/858176307.db2.gz KTXPGRVDIOLCLN-CYBMUJFWSA-N 0 0 412.364 4.210 20 5 HIBDRN CCCn1ccnc1CCCN(C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000430495019 858198838 /nfs/dbraw/zinc/19/88/38/858198838.db2.gz ZSWWUKBWZKRVCC-UHFFFAOYSA-N 0 0 420.488 4.132 20 5 HIBDRN CC(C)(NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000430520679 858205937 /nfs/dbraw/zinc/20/59/37/858205937.db2.gz PKJUYIKEWCKLRH-UHFFFAOYSA-N 0 0 418.449 4.256 20 5 HIBDRN CC(C)(NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000430546276 858213298 /nfs/dbraw/zinc/21/32/98/858213298.db2.gz JMLFLFYFWPYNBE-UHFFFAOYSA-N 0 0 423.494 4.251 20 5 HIBDRN Cc1cc(OCC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000430561229 858218574 /nfs/dbraw/zinc/21/85/74/858218574.db2.gz ZHOZLJYRAXVZHS-UHFFFAOYSA-N 0 0 423.444 4.088 20 5 HIBDRN C[C@H](Oc1ccccc1Br)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000430563927 858219357 /nfs/dbraw/zinc/21/93/57/858219357.db2.gz YBJVPRBKHJSHDT-LBPRGKRZSA-N 0 0 407.264 4.176 20 5 HIBDRN CC(C)(NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)c1ccc([N+](=O)[O-])cc1 ZINC000430566401 858220471 /nfs/dbraw/zinc/22/04/71/858220471.db2.gz SEEWIAXFWGXKAX-UHFFFAOYSA-N 0 0 407.257 4.143 20 5 HIBDRN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1noc(Cc2ccccc2)n1 ZINC000430568024 858222175 /nfs/dbraw/zinc/22/21/75/858222175.db2.gz GQXMMTZFGQKZSP-LBPRGKRZSA-N 0 0 408.439 4.274 20 5 HIBDRN CC(C)(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(F)c(F)c1 ZINC000430573017 858224178 /nfs/dbraw/zinc/22/41/78/858224178.db2.gz QJOPELNFQUJQQA-UHFFFAOYSA-N 0 0 406.432 4.484 20 5 HIBDRN O=C(NCc1ccc(-c2cccnc2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430604982 858234491 /nfs/dbraw/zinc/23/44/91/858234491.db2.gz RVUGFHOXOXVURO-UHFFFAOYSA-N 0 0 412.243 4.349 20 5 HIBDRN O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430610718 858235503 /nfs/dbraw/zinc/23/55/03/858235503.db2.gz LMSBGWROAQTXAW-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000430617522 858238093 /nfs/dbraw/zinc/23/80/93/858238093.db2.gz NHBCCHHAPXEVEZ-CYBMUJFWSA-N 0 0 407.239 4.201 20 5 HIBDRN CCOC(=O)CCc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000430638364 858243981 /nfs/dbraw/zinc/24/39/81/858243981.db2.gz FQQJTUQVGQDJOU-UHFFFAOYSA-N 0 0 421.247 4.105 20 5 HIBDRN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430642317 858244696 /nfs/dbraw/zinc/24/46/96/858244696.db2.gz OGJCALAXQJCNJM-CABZTGNLSA-N 0 0 409.202 4.456 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC000430648068 858246824 /nfs/dbraw/zinc/24/68/24/858246824.db2.gz YUCVOAYKQLVTLK-HNNXBMFYSA-N 0 0 419.275 4.036 20 5 HIBDRN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000430659957 858252866 /nfs/dbraw/zinc/25/28/66/858252866.db2.gz BUXMJPAFQSWLKJ-NYHFZMIOSA-N 0 0 411.477 4.390 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2c3ccccc3S[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000430669918 858261333 /nfs/dbraw/zinc/26/13/33/858261333.db2.gz SFYKBSZASQNECF-QWHCGFSZSA-N 0 0 400.456 4.301 20 5 HIBDRN O=C(c1cn(-c2ccc(Cl)c(Cl)c2)cn1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000430782354 858302921 /nfs/dbraw/zinc/30/29/21/858302921.db2.gz IJGHUVOZMVKOAI-UHFFFAOYSA-N 0 0 417.252 4.286 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC(Oc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000430839796 858326767 /nfs/dbraw/zinc/32/67/67/858326767.db2.gz UZBYCPQFWROZSL-UHFFFAOYSA-N 0 0 404.850 4.005 20 5 HIBDRN CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437670532 863011580 /nfs/dbraw/zinc/01/15/80/863011580.db2.gz WIPZYGHVCACVHL-UHFFFAOYSA-N 0 0 406.364 4.195 20 5 HIBDRN O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430863928 858342890 /nfs/dbraw/zinc/34/28/90/858342890.db2.gz RVTBLKOKQWCDLV-AEFFLSMTSA-N 0 0 419.275 4.225 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NC[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000431083774 858439539 /nfs/dbraw/zinc/43/95/39/858439539.db2.gz MMSNQOQNBHIMMD-ZIAGYGMSSA-N 0 0 404.417 4.328 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000431146561 858469558 /nfs/dbraw/zinc/46/95/58/858469558.db2.gz PZMXYNATBFBZDE-UHFFFAOYSA-N 0 0 417.531 4.182 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000431158113 858477408 /nfs/dbraw/zinc/47/74/08/858477408.db2.gz HTKDHLMJAYJMDX-KRWDZBQOSA-N 0 0 423.238 4.239 20 5 HIBDRN Cc1c(NC(=O)c2cccnc2N2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000431182061 858492109 /nfs/dbraw/zinc/49/21/09/858492109.db2.gz LPHJYRLQCXUNFC-UHFFFAOYSA-N 0 0 419.279 4.303 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)nn1[C@@H](C)C1CC1 ZINC000431218450 858511068 /nfs/dbraw/zinc/51/10/68/858511068.db2.gz BOTKLIKBKPXMGX-NSHDSACASA-N 0 0 407.268 4.394 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC000431219320 858512459 /nfs/dbraw/zinc/51/24/59/858512459.db2.gz HRLPNECUMWOMQQ-UHFFFAOYSA-N 0 0 419.153 4.394 20 5 HIBDRN Cc1c(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc(Br)cc1[N+](=O)[O-] ZINC000431223857 858515237 /nfs/dbraw/zinc/51/52/37/858515237.db2.gz LMKCIHGBRQSCAR-UHFFFAOYSA-N 0 0 406.211 4.467 20 5 HIBDRN Cc1c(NC(=O)c2ccnc(OC3CCC3)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431226007 858515731 /nfs/dbraw/zinc/51/57/31/858515731.db2.gz QXNULQPUJDJIRU-UHFFFAOYSA-N 0 0 406.236 4.244 20 5 HIBDRN Cc1c(NC(=O)c2ncccc2Br)cc(Br)cc1[N+](=O)[O-] ZINC000431225454 858515795 /nfs/dbraw/zinc/51/57/95/858515795.db2.gz RRXJJKHTVZKJFM-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN CCc1cccc(CC)c1NC(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000431230198 858518963 /nfs/dbraw/zinc/51/89/63/858518963.db2.gz AKDVUEKQYORWNN-UHFFFAOYSA-N 0 0 407.264 4.500 20 5 HIBDRN COc1ccc2c(c1)[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)CC2 ZINC000431237123 858523015 /nfs/dbraw/zinc/52/30/15/858523015.db2.gz KTTKQDQANZLMJN-CQSZACIVSA-N 0 0 405.248 4.343 20 5 HIBDRN Cc1c(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)cc(Br)cc1[N+](=O)[O-] ZINC000431237349 858523052 /nfs/dbraw/zinc/52/30/52/858523052.db2.gz LAPBDHIVJDLSPL-UHFFFAOYSA-N 0 0 420.194 4.311 20 5 HIBDRN Cc1c(NC(=O)c2cccc([C@H]3CCOC3)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431247992 858529720 /nfs/dbraw/zinc/52/97/20/858529720.db2.gz NUXAKWRRFFCMPY-AWEZNQCLSA-N 0 0 405.248 4.422 20 5 HIBDRN CCc1c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cnn1C(C)(C)C ZINC000431264038 858538273 /nfs/dbraw/zinc/53/82/73/858538273.db2.gz PCXNPRPODPEBHZ-UHFFFAOYSA-N 0 0 409.284 4.432 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCc1ccccn1)Cc1cccnc1 ZINC000431299130 858552952 /nfs/dbraw/zinc/55/29/52/858552952.db2.gz WANPZCNWBUMPFY-QGZVFWFLSA-N 0 0 422.510 4.137 20 5 HIBDRN CC(C)n1c(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])nc2ccccc21 ZINC000431332154 858569445 /nfs/dbraw/zinc/56/94/45/858569445.db2.gz BHYFYKFMZUTTLN-UHFFFAOYSA-N 0 0 417.263 4.218 20 5 HIBDRN COc1ccc(CNC(=O)C[C@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000431443398 858617683 /nfs/dbraw/zinc/61/76/83/858617683.db2.gz GOPMHDWKOHXBRN-LBPRGKRZSA-N 0 0 407.264 4.176 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000431461188 858627675 /nfs/dbraw/zinc/62/76/75/858627675.db2.gz ZMYKDZFMQQVGCO-CYBMUJFWSA-N 0 0 407.239 4.201 20 5 HIBDRN O=C(NCCCCOCCc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431463812 858629467 /nfs/dbraw/zinc/62/94/67/858629467.db2.gz HEEQEYJZSOZCOG-UHFFFAOYSA-N 0 0 421.291 4.127 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431467405 858630633 /nfs/dbraw/zinc/63/06/33/858630633.db2.gz YIOXBVBUSCEZAT-RDTXWAMCSA-N 0 0 419.275 4.255 20 5 HIBDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431471938 858632759 /nfs/dbraw/zinc/63/27/59/858632759.db2.gz NDZROYSQDKHBRY-UHFFFAOYSA-N 0 0 424.198 4.105 20 5 HIBDRN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000431487282 858639652 /nfs/dbraw/zinc/63/96/52/858639652.db2.gz YNCXHARDTAOCLR-LBPRGKRZSA-N 0 0 415.247 4.034 20 5 HIBDRN CCc1noc(-c2ccc(C)c(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)c2)n1 ZINC000431510603 858649726 /nfs/dbraw/zinc/64/97/26/858649726.db2.gz TZVDPLMZDPPMGA-UHFFFAOYSA-N 0 0 419.397 4.022 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](OCCCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000431668597 858725740 /nfs/dbraw/zinc/72/57/40/858725740.db2.gz ZQERMZAYXJGAKJ-NQIIRXRSSA-N 0 0 411.502 4.398 20 5 HIBDRN CC[C@H](c1ccccc1)N1CC(=O)N(CCc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000431751720 858787884 /nfs/dbraw/zinc/78/78/84/858787884.db2.gz KGZIHGIPTYKTNB-QGZVFWFLSA-N 0 0 401.850 4.206 20 5 HIBDRN O=C1[C@H]2C[C@@H](C3CCCCC3)CN2C(=O)N1CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000431753204 858789039 /nfs/dbraw/zinc/78/90/39/858789039.db2.gz NJGOOZONDKTHPI-CRAIPNDOSA-N 0 0 405.882 4.024 20 5 HIBDRN CC(C)(NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000431783402 858809849 /nfs/dbraw/zinc/80/98/49/858809849.db2.gz HXUDYBLAJCMCMI-RBUKOAKNSA-N 0 0 401.438 4.189 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CCNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000431872783 858849984 /nfs/dbraw/zinc/84/99/84/858849984.db2.gz PXDWPEYJPSQYJT-UHFFFAOYSA-N 0 0 421.501 4.174 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CC[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000432133517 859009264 /nfs/dbraw/zinc/00/92/64/859009264.db2.gz MYYRIEGOSGLDMZ-MRXNPFEDSA-N 0 0 410.861 4.207 20 5 HIBDRN O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000432194363 859041084 /nfs/dbraw/zinc/04/10/84/859041084.db2.gz HGSTXUMJULUUMM-UHFFFAOYSA-N 0 0 410.386 4.364 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000432264516 859074985 /nfs/dbraw/zinc/07/49/85/859074985.db2.gz XMDCGQBCQNMYKS-HNNXBMFYSA-N 0 0 414.405 4.457 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(CNc3ccnc4c3cccc4[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000432314156 859099508 /nfs/dbraw/zinc/09/95/08/859099508.db2.gz VPDLTHATQDENJA-HZPDHXFCSA-N 0 0 420.469 4.005 20 5 HIBDRN O=[N+]([O-])c1cccc2c(N3CCO[C@@H](c4cccc(OC(F)F)c4)C3)ccnc21 ZINC000432332899 859106783 /nfs/dbraw/zinc/10/67/83/859106783.db2.gz CWEAEKTYBBYYFI-GOSISDBHSA-N 0 0 401.369 4.322 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000432339830 859110143 /nfs/dbraw/zinc/11/01/43/859110143.db2.gz VCRLUCOPVRTXQO-GOSISDBHSA-N 0 0 423.322 4.081 20 5 HIBDRN Cc1ccccc1N(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000432351690 859116059 /nfs/dbraw/zinc/11/60/59/859116059.db2.gz PPKZEPYBPAGJCL-UHFFFAOYSA-N 0 0 413.293 4.269 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000432416494 859155677 /nfs/dbraw/zinc/15/56/77/859155677.db2.gz QXTNKLJFQBFTSA-UHFFFAOYSA-N 0 0 403.866 4.304 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000432426401 859160275 /nfs/dbraw/zinc/16/02/75/859160275.db2.gz ZUKBWJBNAYETCT-CQSZACIVSA-N 0 0 401.422 4.183 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CC[S@](=O)CC[C@@H]3C)cc2[N+](=O)[O-])cc1 ZINC000432436341 859163994 /nfs/dbraw/zinc/16/39/94/859163994.db2.gz LIURCQQLOJMOBH-OHZJNBGDSA-N 0 0 418.540 4.038 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(Oc2ccncc2)cc1 ZINC000432528601 859210557 /nfs/dbraw/zinc/21/05/57/859210557.db2.gz BEKWRFUYXSVWAE-UHFFFAOYSA-N 0 0 416.393 4.348 20 5 HIBDRN CCCc1c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cnn1-c1ccc(C)cc1 ZINC000432557909 859226262 /nfs/dbraw/zinc/22/62/62/859226262.db2.gz NONALZVIRAWHER-UHFFFAOYSA-N 0 0 424.457 4.068 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCc1ccccn1)Cc1cccnc1 ZINC000432566949 859230182 /nfs/dbraw/zinc/23/01/82/859230182.db2.gz DRQDTBZOMLDAKG-UHFFFAOYSA-N 0 0 405.458 4.278 20 5 HIBDRN CC(C)(NC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000432627297 859261464 /nfs/dbraw/zinc/26/14/64/859261464.db2.gz QZMBUKPZDQDGPX-UHFFFAOYSA-N 0 0 410.474 4.278 20 5 HIBDRN Cc1ccc(-c2cccnc2)cc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000432803142 859368504 /nfs/dbraw/zinc/36/85/04/859368504.db2.gz GNBBHNPQOKZXBJ-UHFFFAOYSA-N 0 0 402.414 4.163 20 5 HIBDRN CCOc1cc(N2CCC(c3nc(-c4ccccc4OC)no3)CC2)ccc1[N+](=O)[O-] ZINC000432879772 859405011 /nfs/dbraw/zinc/40/50/11/859405011.db2.gz LSEHOWKSQDPIBX-UHFFFAOYSA-N 0 0 424.457 4.436 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000432910119 859424605 /nfs/dbraw/zinc/42/46/05/859424605.db2.gz BMXJMBCYFGVUHK-UHFFFAOYSA-N 0 0 403.870 4.193 20 5 HIBDRN CC(C)N(c1cnc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000432970023 859455522 /nfs/dbraw/zinc/45/55/22/859455522.db2.gz HYJHGDFQVNOWFE-UHFFFAOYSA-N 0 0 405.863 4.400 20 5 HIBDRN CCc1cc(NC(=O)c2cnn([C@@H](C)CC)c2C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000432996741 859470700 /nfs/dbraw/zinc/47/07/00/859470700.db2.gz HUFFILYABVPBPL-ZDUSSCGKSA-N 0 0 407.474 4.425 20 5 HIBDRN COc1ccccc1-c1noc(C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000433023299 859484819 /nfs/dbraw/zinc/48/48/19/859484819.db2.gz ONVABANLFYASEG-UHFFFAOYSA-N 0 0 400.460 4.095 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CC[S@](=O)C[C@H](C)C3)cc2[N+](=O)[O-])cc1 ZINC000433033456 859491205 /nfs/dbraw/zinc/49/12/05/859491205.db2.gz VRDJEAFPSDLNOP-JWIGPWBQSA-N 0 0 404.557 4.255 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@H](C)Nc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)n1 ZINC000433437458 859703947 /nfs/dbraw/zinc/70/39/47/859703947.db2.gz PMZFTUQCRNJGSL-HNNXBMFYSA-N 0 0 404.430 4.620 20 5 HIBDRN CCCN(C(=O)c1ccccc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000433499871 859736656 /nfs/dbraw/zinc/73/66/56/859736656.db2.gz DXMFCMQZDFJHDQ-UHFFFAOYSA-N 0 0 412.490 4.214 20 5 HIBDRN CC(C)c1[nH]nc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c1[N+](=O)[O-] ZINC000433624858 859815701 /nfs/dbraw/zinc/81/57/01/859815701.db2.gz NMFQCCOGZZBBPV-UHFFFAOYSA-N 0 0 406.402 4.132 20 5 HIBDRN O=C(COc1cc(F)cc([N+](=O)[O-])c1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000433651111 859824708 /nfs/dbraw/zinc/82/47/08/859824708.db2.gz VEBNDKNFFRAJJN-MRXNPFEDSA-N 0 0 415.402 4.145 20 5 HIBDRN O=C(Nc1ccccc1)c1ccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000433697967 859841892 /nfs/dbraw/zinc/84/18/92/859841892.db2.gz SGEQAVCMZBCEFV-OAQYLSRUSA-N 0 0 416.437 4.065 20 5 HIBDRN CNC(=O)c1ccc(N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c([N+](=O)[O-])c1 ZINC000433760330 859880558 /nfs/dbraw/zinc/88/05/58/859880558.db2.gz SDVOJZDOARCQCL-IBGZPJMESA-N 0 0 407.474 4.227 20 5 HIBDRN CC(C)COc1ccc(C(C)(C)CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000433763064 859882299 /nfs/dbraw/zinc/88/22/99/859882299.db2.gz UELZDGBLQKLYFH-UHFFFAOYSA-N 0 0 402.495 4.184 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@](C)(c3ccc(C)cc3)C2)c(C)c([N+](=O)[O-])c1 ZINC000433836787 859922466 /nfs/dbraw/zinc/92/24/66/859922466.db2.gz PSYJIGYXOVSAEY-QFIPXVFZSA-N 0 0 411.458 4.194 20 5 HIBDRN O=C(NCC1(CCO)CCCCC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000433975031 860010925 /nfs/dbraw/zinc/01/09/25/860010925.db2.gz RNZGXZHRAKEXHY-UHFFFAOYSA-N 0 0 411.502 4.270 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1[N+](=O)[O-] ZINC000433984278 860016722 /nfs/dbraw/zinc/01/67/22/860016722.db2.gz GPXWHXJNXXZIFX-UHFFFAOYSA-N 0 0 417.809 4.192 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC2(CCCC2)c2ccccc21 ZINC000434025712 860047117 /nfs/dbraw/zinc/04/71/17/860047117.db2.gz AUKGMPNBWVYOJV-UHFFFAOYSA-N 0 0 421.453 4.142 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N(CCCO)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000434037834 860056142 /nfs/dbraw/zinc/05/61/42/860056142.db2.gz RCEGVAYFCMDQAE-HNNXBMFYSA-N 0 0 405.882 4.212 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(Cl)c(F)c1 ZINC000434131946 860131088 /nfs/dbraw/zinc/13/10/88/860131088.db2.gz NHYVEMGHHXLWRI-HNNXBMFYSA-N 0 0 423.828 4.430 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000434153166 860149419 /nfs/dbraw/zinc/14/94/19/860149419.db2.gz LMENAEVORNADHX-HXUWFJFHSA-N 0 0 410.518 4.133 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000434153163 860149870 /nfs/dbraw/zinc/14/98/70/860149870.db2.gz LMENAEVORNADHX-FQEVSTJZSA-N 0 0 410.518 4.133 20 5 HIBDRN CC(C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000434169078 860163748 /nfs/dbraw/zinc/16/37/48/860163748.db2.gz HESAFLPGBZPVFB-UHFFFAOYSA-N 0 0 404.248 4.002 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC[C@@H](c3cccnc3)C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000434184843 860175299 /nfs/dbraw/zinc/17/52/99/860175299.db2.gz VRIOBIYKWNZKIC-OAQYLSRUSA-N 0 0 421.501 4.021 20 5 HIBDRN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000434200978 860187133 /nfs/dbraw/zinc/18/71/33/860187133.db2.gz NAYDRYXGKGDAPR-APPDUMDISA-N 0 0 407.373 4.052 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@H](COCc2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000434247244 860227987 /nfs/dbraw/zinc/22/79/87/860227987.db2.gz WRJNOTTUFWBGMY-GOSISDBHSA-N 0 0 408.458 4.129 20 5 HIBDRN COc1cc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)cc([N+](=O)[O-])c1OC ZINC000434249033 860228683 /nfs/dbraw/zinc/22/86/83/860228683.db2.gz KZPJNSYKTBFRHO-UHFFFAOYSA-N 0 0 420.412 4.475 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@H](c3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000434250896 860231095 /nfs/dbraw/zinc/23/10/95/860231095.db2.gz SVOOELGBHKQCDR-QAPCUYQASA-N 0 0 400.500 4.241 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c1[N+](=O)[O-] ZINC000434258635 860236282 /nfs/dbraw/zinc/23/62/82/860236282.db2.gz YMGUMNUCXWKHOK-UHFFFAOYSA-N 0 0 405.414 4.426 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c1[N+](=O)[O-] ZINC000434265756 860240946 /nfs/dbraw/zinc/24/09/46/860240946.db2.gz IHYZFRRLARHMGC-UHFFFAOYSA-N 0 0 423.203 4.280 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000434319898 860279502 /nfs/dbraw/zinc/27/95/02/860279502.db2.gz WSXNVLIATKIXJM-LRDDRELGSA-N 0 0 420.453 4.262 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000434325847 860287429 /nfs/dbraw/zinc/28/74/29/860287429.db2.gz KCPSWRAIPPHBLF-FZKQIMNGSA-N 0 0 424.375 4.163 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000434329410 860290398 /nfs/dbraw/zinc/29/03/98/860290398.db2.gz YQTUWAPKPFKNMS-BLLLJJGKSA-N 0 0 420.453 4.118 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2OC(C)C)c1 ZINC000434336182 860297613 /nfs/dbraw/zinc/29/76/13/860297613.db2.gz ZDZHKEHKORZTOG-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434389113 860327791 /nfs/dbraw/zinc/32/77/91/860327791.db2.gz RRFRHLJAHGAEFP-UHFFFAOYSA-N 0 0 419.840 4.192 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1csc(CCc2ccccc2)n1 ZINC000434554539 860398798 /nfs/dbraw/zinc/39/87/98/860398798.db2.gz DGYVTCWSPNITSV-UHFFFAOYSA-N 0 0 420.494 4.108 20 5 HIBDRN O=C(NCc1csc(CCc2ccccc2)n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000434560495 860401232 /nfs/dbraw/zinc/40/12/32/860401232.db2.gz XYDFEICPGRVDKQ-UHFFFAOYSA-N 0 0 422.510 4.341 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2csc(CCc3ccccc3)n2)c1 ZINC000434561286 860402001 /nfs/dbraw/zinc/40/20/01/860402001.db2.gz INPKKZPGWRMUCK-UHFFFAOYSA-N 0 0 413.524 4.488 20 5 HIBDRN CCCCn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1[C@H](CC)N(C)C ZINC000434805243 860501008 /nfs/dbraw/zinc/50/10/08/860501008.db2.gz WGPSHJWWXXACQX-HNNXBMFYSA-N 0 0 418.523 4.433 20 5 HIBDRN O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000434955028 860573098 /nfs/dbraw/zinc/57/30/98/860573098.db2.gz MLDBJFHKCDSUJJ-MRXNPFEDSA-N 0 0 407.257 4.249 20 5 HIBDRN CC(=O)NC[C@H]1CCCN(Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000434989693 860588056 /nfs/dbraw/zinc/58/80/56/860588056.db2.gz BXVXRPYAHBHJBV-LJQANCHMSA-N 0 0 413.543 4.403 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000467751389 881559515 /nfs/dbraw/zinc/55/95/15/881559515.db2.gz ASXRVNOVLRUJAM-PYYHNFOQSA-N 0 0 404.510 4.083 20 5 HIBDRN Cc1nc2cc(Cl)c(NC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)cc2s1 ZINC000435189217 860687123 /nfs/dbraw/zinc/68/71/23/860687123.db2.gz SUBFGYBABDOMEG-UHFFFAOYSA-N 0 0 418.862 4.461 20 5 HIBDRN Cc1c(NC(=O)N2CC[C@H](Nc3ccccc3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435322567 860734139 /nfs/dbraw/zinc/73/41/39/860734139.db2.gz DXUWIYPCBHWKOC-HNNXBMFYSA-N 0 0 419.279 4.384 20 5 HIBDRN Cc1c(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435322568 860734246 /nfs/dbraw/zinc/73/42/46/860734246.db2.gz DXUWIYPCBHWKOC-OAHLLOKOSA-N 0 0 419.279 4.384 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc(Br)cc1[N+](=O)[O-] ZINC000435322924 860734792 /nfs/dbraw/zinc/73/47/92/860734792.db2.gz IFNVLZRXHBNUHP-JTQLQIEISA-N 0 0 422.235 4.277 20 5 HIBDRN Cc1c(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000435327421 860739284 /nfs/dbraw/zinc/73/92/84/860739284.db2.gz HJRAMHYYCMRSAS-CYBMUJFWSA-N 0 0 408.256 4.148 20 5 HIBDRN Cc1c(NC(=O)N2CCC([C@@H]3CCCO3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435327827 860739293 /nfs/dbraw/zinc/73/92/93/860739293.db2.gz IXVFJLFZDDCKFH-INIZCTEOSA-N 0 0 412.284 4.089 20 5 HIBDRN Cc1csc([C@H](C)CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000435328359 860739965 /nfs/dbraw/zinc/73/99/65/860739965.db2.gz KTXAAYCIWULUKO-MRVPVSSYSA-N 0 0 413.297 4.356 20 5 HIBDRN Cc1c(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435328954 860740607 /nfs/dbraw/zinc/74/06/07/860740607.db2.gz NPYSHKGMLCYZQN-WCBMZHEXSA-N 0 0 410.190 4.470 20 5 HIBDRN Cc1c(NC(=O)N(C)CCOCc2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000435330126 860741528 /nfs/dbraw/zinc/74/15/28/860741528.db2.gz RRCZIHWXNNFJDS-UHFFFAOYSA-N 0 0 422.279 4.346 20 5 HIBDRN Cc1c(NC(=O)N[C@H](C)[C@@H]2COc3ccccc32)cc(Br)cc1[N+](=O)[O-] ZINC000435331295 860742215 /nfs/dbraw/zinc/74/22/15/860742215.db2.gz ZYQBIARXFJCGQH-RISCZKNCSA-N 0 0 420.263 4.352 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435333445 860744124 /nfs/dbraw/zinc/74/41/24/860744124.db2.gz PRMFYMZQMKTJTB-IUODEOHRSA-N 0 0 414.300 4.381 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc(Br)cc1[N+](=O)[O-] ZINC000435333984 860745049 /nfs/dbraw/zinc/74/50/49/860745049.db2.gz VIUFVEIXYDHUSG-DAXOMENPSA-N 0 0 424.295 4.135 20 5 HIBDRN Cc1c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000435372088 860770315 /nfs/dbraw/zinc/77/03/15/860770315.db2.gz ZCJHFJRPSYDTSY-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN CC(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435438426 860798801 /nfs/dbraw/zinc/79/88/01/860798801.db2.gz PUBPTCOAEGRURK-CYBMUJFWSA-N 0 0 405.501 4.005 20 5 HIBDRN COC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)o1 ZINC000435442894 860800666 /nfs/dbraw/zinc/80/06/66/860800666.db2.gz KXMRCEJTRGENSS-UHFFFAOYSA-N 0 0 404.425 4.439 20 5 HIBDRN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000435454827 860804796 /nfs/dbraw/zinc/80/47/96/860804796.db2.gz BHLKMIAEJSAWNU-GOSISDBHSA-N 0 0 409.895 4.343 20 5 HIBDRN C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435487792 860817827 /nfs/dbraw/zinc/81/78/27/860817827.db2.gz VSTZETOPKODHMW-CHWSQXEVSA-N 0 0 419.528 4.441 20 5 HIBDRN CCN(CC1CC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435487798 860817830 /nfs/dbraw/zinc/81/78/30/860817830.db2.gz VTPVDZWCLCAOMM-UHFFFAOYSA-N 0 0 405.501 4.005 20 5 HIBDRN C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435487794 860818038 /nfs/dbraw/zinc/81/80/38/860818038.db2.gz VSTZETOPKODHMW-QWHCGFSZSA-N 0 0 419.528 4.441 20 5 HIBDRN C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 ZINC000435501168 860824217 /nfs/dbraw/zinc/82/42/17/860824217.db2.gz KGKVIHOGAUHOFC-JOCQHMNTSA-N 0 0 419.528 4.441 20 5 HIBDRN C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435511993 860830511 /nfs/dbraw/zinc/83/05/11/860830511.db2.gz SQCWXFNEGUPGPM-TZMCWYRMSA-N 0 0 419.528 4.441 20 5 HIBDRN COC(=O)c1ccccc1-c1ccccc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000435513376 860831607 /nfs/dbraw/zinc/83/16/07/860831607.db2.gz JFVHPWAECFCGTG-UHFFFAOYSA-N 0 0 404.422 4.021 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000435520881 860838707 /nfs/dbraw/zinc/83/87/07/860838707.db2.gz FARSHCVHOIDWBJ-OAQYLSRUSA-N 0 0 406.438 4.440 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000435538246 860852105 /nfs/dbraw/zinc/85/21/05/860852105.db2.gz ZYUORMPXIWSBQQ-CYBMUJFWSA-N 0 0 406.822 4.067 20 5 HIBDRN COc1cccc(C(=O)NCCc2ccc(OCc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000435542925 860857297 /nfs/dbraw/zinc/85/72/97/860857297.db2.gz SCRUWYPJEGUCGX-UHFFFAOYSA-N 0 0 406.438 4.155 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c1[N+](=O)[O-] ZINC000435548764 860864522 /nfs/dbraw/zinc/86/45/22/860864522.db2.gz HBZNDBYQXPIGNC-UHFFFAOYSA-N 0 0 415.789 4.354 20 5 HIBDRN COc1cccc(C(=O)NCc2cccc(COCc3ccccc3)c2)c1[N+](=O)[O-] ZINC000435550821 860867412 /nfs/dbraw/zinc/86/74/12/860867412.db2.gz QEALOAGEELYHBR-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)c1[N+](=O)[O-] ZINC000435557564 860877359 /nfs/dbraw/zinc/87/73/59/860877359.db2.gz JFPUUERSOCJKIB-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1[N+](=O)[O-] ZINC000435563558 860885729 /nfs/dbraw/zinc/88/57/29/860885729.db2.gz DTBMDGGCWPBZST-UHFFFAOYSA-N 0 0 409.373 4.247 20 5 HIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)COc4ccc([N+](=O)[O-])c(C)c4)CC3)c2c1 ZINC000435574616 860892218 /nfs/dbraw/zinc/89/22/18/860892218.db2.gz AQIXWDUFTZJYRB-UHFFFAOYSA-N 0 0 423.469 4.178 20 5 HIBDRN COc1cccc(C(=O)N(Cc2cccc(Br)c2)C(C)C)c1[N+](=O)[O-] ZINC000435608002 860911805 /nfs/dbraw/zinc/91/18/05/860911805.db2.gz QBVJOOSAOIOLHU-UHFFFAOYSA-N 0 0 407.264 4.417 20 5 HIBDRN COC(=O)c1ccccc1-c1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000435641664 860930777 /nfs/dbraw/zinc/93/07/77/860930777.db2.gz LXORGVBRSKWAAC-UHFFFAOYSA-N 0 0 402.406 4.251 20 5 HIBDRN COc1cccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c1[N+](=O)[O-] ZINC000435644975 860933117 /nfs/dbraw/zinc/93/31/17/860933117.db2.gz KNNUTXUZMUHUEP-UHFFFAOYSA-N 0 0 413.333 4.364 20 5 HIBDRN COc1cccc(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000435664095 860941436 /nfs/dbraw/zinc/94/14/36/860941436.db2.gz RJWBCFVEHSNJPG-UHFFFAOYSA-N 0 0 408.458 4.398 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CCOC[C@H]1C ZINC000435669195 860949066 /nfs/dbraw/zinc/94/90/66/860949066.db2.gz JETCCFBGLLSQHW-IUODEOHRSA-N 0 0 418.471 4.111 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)c1[N+](=O)[O-] ZINC000435691412 860972532 /nfs/dbraw/zinc/97/25/32/860972532.db2.gz LCOKGTGMFFXDTC-UHFFFAOYSA-N 0 0 417.421 4.059 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)c1[N+](=O)[O-] ZINC000435728188 861011911 /nfs/dbraw/zinc/01/19/11/861011911.db2.gz IYJDCXBMTBDNSR-UHFFFAOYSA-N 0 0 416.484 4.475 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 ZINC000435820108 861085614 /nfs/dbraw/zinc/08/56/14/861085614.db2.gz UDGAYHLVWVUZQX-UHFFFAOYSA-N 0 0 407.376 4.170 20 5 HIBDRN Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1C ZINC000435827451 861091459 /nfs/dbraw/zinc/09/14/59/861091459.db2.gz RGLNGYAZIHNCKJ-UHFFFAOYSA-N 0 0 413.477 4.009 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000435831347 861095662 /nfs/dbraw/zinc/09/56/62/861095662.db2.gz PNZYQOYOJWCCEV-UHFFFAOYSA-N 0 0 407.376 4.170 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000467791087 881614208 /nfs/dbraw/zinc/61/42/08/881614208.db2.gz ZNNNDOGOXAJDIP-HNNXBMFYSA-N 0 0 411.483 4.259 20 5 HIBDRN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435873370 861133052 /nfs/dbraw/zinc/13/30/52/861133052.db2.gz UYVFOBPCIOGADA-UHFFFAOYSA-N 0 0 415.424 4.421 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c(F)cc(Br)cc1Cl ZINC000435897427 861152766 /nfs/dbraw/zinc/15/27/66/861152766.db2.gz JYKQMTGSZILMBY-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN COc1cccc(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1[N+](=O)[O-] ZINC000435900977 861158911 /nfs/dbraw/zinc/15/89/11/861158911.db2.gz DSQRZOKJPFHZHY-UHFFFAOYSA-N 0 0 403.438 4.470 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 ZINC000435907629 861167770 /nfs/dbraw/zinc/16/77/70/861167770.db2.gz QEJQAHIIILQSDP-UHFFFAOYSA-N 0 0 408.785 4.401 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccccc2OC)cc1 ZINC000435915546 861176827 /nfs/dbraw/zinc/17/68/27/861176827.db2.gz GGQDHKMLVDSGRS-NRFANRHFSA-N 0 0 422.437 4.140 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(Br)ccc2OC(C)C)c1[N+](=O)[O-] ZINC000435922376 861181336 /nfs/dbraw/zinc/18/13/36/861181336.db2.gz OOTHWKQRAGRLAY-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN COc1cc(Oc2ccccc2)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000437826998 863173620 /nfs/dbraw/zinc/17/36/20/863173620.db2.gz CCIBGGZAJFOJHC-UHFFFAOYSA-N 0 0 424.409 4.422 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000437921866 863298075 /nfs/dbraw/zinc/29/80/75/863298075.db2.gz LDCWNVIBRAYUBJ-UHFFFAOYSA-N 0 0 402.426 4.052 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC ZINC000437930782 863306951 /nfs/dbraw/zinc/30/69/51/863306951.db2.gz KMSMBLJTRHZFMK-OAHLLOKOSA-N 0 0 413.474 4.356 20 5 HIBDRN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOc2ccc(Br)cc21 ZINC000437930186 863307813 /nfs/dbraw/zinc/30/78/13/863307813.db2.gz UVKPBTLFHIKSEP-OAHLLOKOSA-N 0 0 424.226 4.484 20 5 HIBDRN O=C(NCc1cc(F)cc(Br)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438013959 863373023 /nfs/dbraw/zinc/37/30/23/863373023.db2.gz TURNPXPAEGFJCU-UHFFFAOYSA-N 0 0 422.254 4.371 20 5 HIBDRN CC(C)(CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccc(Cl)cc1 ZINC000438025407 863384726 /nfs/dbraw/zinc/38/47/26/863384726.db2.gz CEGGDIDIXCKVOX-QGZVFWFLSA-N 0 0 416.909 4.315 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(CCC(F)(F)F)CC1CC1 ZINC000438036969 863396071 /nfs/dbraw/zinc/39/60/71/863396071.db2.gz IZEYUAPUDSSQKR-UHFFFAOYSA-N 0 0 414.302 4.341 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(CC1CCC1)c1ccccc1 ZINC000438045099 863407266 /nfs/dbraw/zinc/40/72/66/863407266.db2.gz QUEJTUOVXMWWRD-UHFFFAOYSA-N 0 0 409.442 4.116 20 5 HIBDRN O=C(Nc1cccc(N2CCCC2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438220980 863653245 /nfs/dbraw/zinc/65/32/45/863653245.db2.gz VOBOCKIHYGHIAO-UHFFFAOYSA-N 0 0 410.474 4.270 20 5 HIBDRN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000438238361 863687268 /nfs/dbraw/zinc/68/72/68/863687268.db2.gz UJJFFYIBTMLSSL-IVZQSRNASA-N 0 0 423.469 4.131 20 5 HIBDRN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)[C@H](OC1CCOCC1)c1ccccc1 ZINC000438238362 863688390 /nfs/dbraw/zinc/68/83/90/863688390.db2.gz UJJFFYIBTMLSSL-NYHFZMIOSA-N 0 0 423.469 4.131 20 5 HIBDRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000467846586 881691741 /nfs/dbraw/zinc/69/17/41/881691741.db2.gz OWPHUZOGNYQPKS-UHFFFAOYSA-N 0 0 414.311 4.475 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438407088 863852554 /nfs/dbraw/zinc/85/25/54/863852554.db2.gz OYKHHDGFSHBWDM-SJORKVTESA-N 0 0 417.412 4.426 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000467860417 881713250 /nfs/dbraw/zinc/71/32/50/881713250.db2.gz ABVBRJCFEVOFQM-GOSISDBHSA-N 0 0 410.470 4.006 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCO[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000438558658 863991192 /nfs/dbraw/zinc/99/11/92/863991192.db2.gz SAKGYVKYRNTHGH-FCHUYYIVSA-N 0 0 421.453 4.250 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccsc1Cl ZINC000438569310 864001959 /nfs/dbraw/zinc/00/19/59/864001959.db2.gz DVDSAHDTQCFNRX-UHFFFAOYSA-N 0 0 400.865 4.217 20 5 HIBDRN COc1cnccc1[C@@H](C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000438614211 864039997 /nfs/dbraw/zinc/03/99/97/864039997.db2.gz ONZAGIDMGGJUTQ-HUUCEWRRSA-N 0 0 421.457 4.058 20 5 HIBDRN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438633600 864063731 /nfs/dbraw/zinc/06/37/31/864063731.db2.gz NWNHNTQJFAPADK-KRWDZBQOSA-N 0 0 419.275 4.272 20 5 HIBDRN CCN(c1ccccc1F)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438788476 864280863 /nfs/dbraw/zinc/28/08/63/864280863.db2.gz YVGFLZJAHBBWLN-UHFFFAOYSA-N 0 0 417.256 4.020 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000438796187 864287657 /nfs/dbraw/zinc/28/76/57/864287657.db2.gz QIDUOCZIWSJGKA-UHFFFAOYSA-N 0 0 420.310 4.046 20 5 HIBDRN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000438895791 864378458 /nfs/dbraw/zinc/37/84/58/864378458.db2.gz PDQKBUPOEHHNLU-UHFFFAOYSA-N 0 0 409.486 4.455 20 5 HIBDRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000438904473 864384528 /nfs/dbraw/zinc/38/45/28/864384528.db2.gz MRPUTZIKWHHWEA-UHFFFAOYSA-N 0 0 419.485 4.378 20 5 HIBDRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000438915127 864393490 /nfs/dbraw/zinc/39/34/90/864393490.db2.gz XEHDRXRXRPORTI-INIZCTEOSA-N 0 0 401.894 4.050 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2c(NC(C)=O)ccc(C)c21 ZINC000438935416 864412347 /nfs/dbraw/zinc/41/23/47/864412347.db2.gz IVRDIMMFTVLQGC-SFHVURJKSA-N 0 0 409.486 4.410 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000438947619 864420631 /nfs/dbraw/zinc/42/06/31/864420631.db2.gz LAAOPAWDNAFDJY-MRXNPFEDSA-N 0 0 418.877 4.239 20 5 HIBDRN Cc1ccc(Cn2cccc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)c2=O)cc1 ZINC000438952690 864423902 /nfs/dbraw/zinc/42/39/02/864423902.db2.gz XRVZMUPAKABDDQ-UHFFFAOYSA-N 0 0 405.454 4.489 20 5 HIBDRN CC(C)c1ccc(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000438955352 864427150 /nfs/dbraw/zinc/42/71/50/864427150.db2.gz CKYALPILQGFQIQ-UHFFFAOYSA-N 0 0 423.513 4.072 20 5 HIBDRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)ccc2NC1=O ZINC000438969542 864435650 /nfs/dbraw/zinc/43/56/50/864435650.db2.gz QFSRXNXURMDMOW-DJJJIMSYSA-N 0 0 411.458 4.319 20 5 HIBDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000439022982 864477418 /nfs/dbraw/zinc/47/74/18/864477418.db2.gz VJXQJFZAPOHBGE-IXDOHACOSA-N 0 0 416.499 4.267 20 5 HIBDRN O=C(Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000439040575 864495150 /nfs/dbraw/zinc/49/51/50/864495150.db2.gz IWBRPSFAUZIWNZ-UHFFFAOYSA-N 0 0 416.372 4.406 20 5 HIBDRN Cc1c(CC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000439041959 864495441 /nfs/dbraw/zinc/49/54/41/864495441.db2.gz MHBDDPHFXHVQHS-HZPDHXFCSA-N 0 0 409.486 4.203 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CCC[C@H]([C@H]4CCOC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000439067717 864519084 /nfs/dbraw/zinc/51/90/84/864519084.db2.gz GMILSNZTYYABSO-OALUTQOASA-N 0 0 409.486 4.408 20 5 HIBDRN Cc1c(CC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000439082288 864530708 /nfs/dbraw/zinc/53/07/08/864530708.db2.gz BTRIUEGHZGRODK-GOSISDBHSA-N 0 0 409.269 4.353 20 5 HIBDRN Cc1c(CC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000439082633 864530972 /nfs/dbraw/zinc/53/09/72/864530972.db2.gz DPGCHFGPVXXKAO-UHFFFAOYSA-N 0 0 407.445 4.251 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000439111922 864548976 /nfs/dbraw/zinc/54/89/76/864548976.db2.gz IFUQITXIAXNMDG-UHFFFAOYSA-N 0 0 408.241 4.355 20 5 HIBDRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439122559 864558226 /nfs/dbraw/zinc/55/82/26/864558226.db2.gz IMNPBFDUXXXQES-INIZCTEOSA-N 0 0 419.890 4.019 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000439133241 864566906 /nfs/dbraw/zinc/56/69/06/864566906.db2.gz LULIQAAHRSDMAW-UHFFFAOYSA-N 0 0 415.755 4.101 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000439150016 864582303 /nfs/dbraw/zinc/58/23/03/864582303.db2.gz BTVZYBRSKSALRU-GOSISDBHSA-N 0 0 402.878 4.421 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000439232419 864649523 /nfs/dbraw/zinc/64/95/23/864649523.db2.gz BACXDYLIYWLCCB-UHFFFAOYSA-N 0 0 422.384 4.408 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000439249931 864667135 /nfs/dbraw/zinc/66/71/35/864667135.db2.gz UPXXAKVYYZQLAV-UHFFFAOYSA-N 0 0 420.816 4.143 20 5 HIBDRN O=C(Nc1ccnn1Cc1ccccc1F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000439257745 864673608 /nfs/dbraw/zinc/67/36/08/864673608.db2.gz LUAPEEZOFBESQT-UHFFFAOYSA-N 0 0 417.400 4.293 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1CCC[C@@H](O)C1 ZINC000439266797 864685522 /nfs/dbraw/zinc/68/55/22/864685522.db2.gz CCQJRAGDWBPRSJ-UKRRQHHQSA-N 0 0 422.840 4.347 20 5 HIBDRN O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000467924389 881797820 /nfs/dbraw/zinc/79/78/20/881797820.db2.gz KDUODCGGVGTRGM-SFHVURJKSA-N 0 0 409.402 4.606 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000439433207 864829925 /nfs/dbraw/zinc/82/99/25/864829925.db2.gz YWHDNYPJPWFLPO-HNNXBMFYSA-N 0 0 411.771 4.264 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000439440881 864832870 /nfs/dbraw/zinc/83/28/70/864832870.db2.gz RBWQBYVEFMQFQH-SJKOYZFVSA-N 0 0 405.380 4.480 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cccc(O)c3)cs2)cc1SC ZINC000439527049 864864111 /nfs/dbraw/zinc/86/41/11/864864111.db2.gz JHLXWXXPPWAYFU-UHFFFAOYSA-N 0 0 417.468 4.407 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCOCC12CCC2 ZINC000439636872 864964954 /nfs/dbraw/zinc/96/49/54/864964954.db2.gz FBCVJPGYEFUIBA-UHFFFAOYSA-N 0 0 415.877 4.255 20 5 HIBDRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)c2cc(C)ccc2[N+](=O)[O-])n1 ZINC000439687091 865022588 /nfs/dbraw/zinc/02/25/88/865022588.db2.gz VMSWAFKZGRMHSB-UHFFFAOYSA-N 0 0 416.821 4.048 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000439696417 865032588 /nfs/dbraw/zinc/03/25/88/865032588.db2.gz SPDCHFBTRBKWPZ-DNVCBOLYSA-N 0 0 421.519 4.196 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3-c3cn[nH]c3)cc2[N+](=O)[O-])C1 ZINC000439744926 865075584 /nfs/dbraw/zinc/07/55/84/865075584.db2.gz LSSCAQUGFVGTJK-HNNXBMFYSA-N 0 0 405.458 4.474 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000467982037 881833223 /nfs/dbraw/zinc/83/32/23/881833223.db2.gz IHWYAAKWSBASKL-HNNXBMFYSA-N 0 0 403.307 4.018 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000439756090 865083680 /nfs/dbraw/zinc/08/36/80/865083680.db2.gz LLSNIFYBWCWZMY-GOSISDBHSA-N 0 0 419.865 4.099 20 5 HIBDRN CC[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Oc1cccc(F)c1 ZINC000439826215 865141443 /nfs/dbraw/zinc/14/14/43/865141443.db2.gz FGHCAYLUTQPFKR-SFHVURJKSA-N 0 0 418.468 4.268 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467994539 881840058 /nfs/dbraw/zinc/84/00/58/881840058.db2.gz MMOXLFRXJXFMHY-ZDUSSCGKSA-N 0 0 407.854 4.026 20 5 HIBDRN Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000439832063 865147436 /nfs/dbraw/zinc/14/74/36/865147436.db2.gz WUQQIIHVYNRSIL-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cnn1C ZINC000467997382 881840867 /nfs/dbraw/zinc/84/08/67/881840867.db2.gz AWTDRHRBBIMCBG-FPOVZHCZSA-N 0 0 422.441 4.145 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000439868078 865176216 /nfs/dbraw/zinc/17/62/16/865176216.db2.gz DCHRDYCHIMOAMO-HXUWFJFHSA-N 0 0 423.473 4.370 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000439877828 865189388 /nfs/dbraw/zinc/18/93/88/865189388.db2.gz UXAPNGIRCARMSA-UHFFFAOYSA-N 0 0 421.400 4.099 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000439879958 865191006 /nfs/dbraw/zinc/19/10/06/865191006.db2.gz PYGBISZSDKJWEJ-GOSISDBHSA-N 0 0 415.446 4.380 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 ZINC000439880652 865192350 /nfs/dbraw/zinc/19/23/50/865192350.db2.gz SPMGUWIJVDQSBW-UHFFFAOYSA-N 0 0 412.446 4.148 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000439884388 865196499 /nfs/dbraw/zinc/19/64/99/865196499.db2.gz UDINYYVIEMSWDG-UHFFFAOYSA-N 0 0 413.474 4.249 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccccn1)c1ccccc1OC ZINC000439894668 865207032 /nfs/dbraw/zinc/20/70/32/865207032.db2.gz DSGXMHMRRDHLAX-OAQYLSRUSA-N 0 0 422.441 4.308 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000439896886 865209849 /nfs/dbraw/zinc/20/98/49/865209849.db2.gz HHGRQQIEXNCSGE-GOSISDBHSA-N 0 0 405.838 4.252 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC([C@H]4CCCO4)CC3)cc2[N+](=O)[O-])C1 ZINC000439898914 865210630 /nfs/dbraw/zinc/21/06/30/865210630.db2.gz JKZIACGMEHCBJX-HYFFOGBASA-N 0 0 415.534 4.108 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCCO)[C@H]1CCCc2ccccc21 ZINC000439906716 865217471 /nfs/dbraw/zinc/21/74/71/865217471.db2.gz YVHCWWPGJGMKTA-FQEVSTJZSA-N 0 0 413.474 4.287 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000439907527 865217568 /nfs/dbraw/zinc/21/75/68/865217568.db2.gz BHGYLGSMHKKFMI-MOPGFXCFSA-N 0 0 403.410 4.174 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000439910495 865219642 /nfs/dbraw/zinc/21/96/42/865219642.db2.gz QRGZCNDRFUQDBJ-OAHLLOKOSA-N 0 0 409.446 4.121 20 5 HIBDRN CC[C@@]1(CO)CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000440037642 865320520 /nfs/dbraw/zinc/32/05/20/865320520.db2.gz QPMRPESFABGNDC-NRFANRHFSA-N 0 0 417.893 4.237 20 5 HIBDRN CC(C)CC[C@](C)(O)CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000440157744 865387392 /nfs/dbraw/zinc/38/73/92/865387392.db2.gz LZHGOTWCKOVDNQ-ZHRRBRCNSA-N 0 0 414.506 4.080 20 5 HIBDRN O=C(N[C@H]1CCc2c[nH]nc2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000468069875 881886069 /nfs/dbraw/zinc/88/60/69/881886069.db2.gz RLCMROWNAQZOTR-HNNXBMFYSA-N 0 0 412.833 4.051 20 5 HIBDRN COc1ccc(C(=O)Nc2nc(Sc3ccc(C)cc3)ns2)cc1[N+](=O)[O-] ZINC000440321189 865593434 /nfs/dbraw/zinc/59/34/34/865593434.db2.gz RUUBZEPQQBXQJE-UHFFFAOYSA-N 0 0 402.457 4.167 20 5 HIBDRN O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000440336052 865614593 /nfs/dbraw/zinc/61/45/93/865614593.db2.gz DBUFSKKNINBQFP-LADGPHEKSA-N 0 0 406.482 4.259 20 5 HIBDRN O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000468074710 881888836 /nfs/dbraw/zinc/88/88/36/881888836.db2.gz KOHYLHJPZMFQNB-UHFFFAOYSA-N 0 0 400.303 4.353 20 5 HIBDRN CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000468088086 881895845 /nfs/dbraw/zinc/89/58/45/881895845.db2.gz QTEVIMSSZUAMJD-UHFFFAOYSA-N 0 0 413.499 4.477 20 5 HIBDRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)c12 ZINC000440409209 865703654 /nfs/dbraw/zinc/70/36/54/865703654.db2.gz ZQZURFQXELJEJD-UHFFFAOYSA-N 0 0 410.478 4.482 20 5 HIBDRN Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1C(N)=O ZINC000440480384 865783814 /nfs/dbraw/zinc/78/38/14/865783814.db2.gz JWSRLCZQPOKOEO-UHFFFAOYSA-N 0 0 407.451 4.406 20 5 HIBDRN CC[C@](C)(O)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000440513865 865801678 /nfs/dbraw/zinc/80/16/78/865801678.db2.gz MZMZEBRNKCQXEN-IBGZPJMESA-N 0 0 417.512 4.247 20 5 HIBDRN Cc1ccc(CN(Cc2ccco2)c2ncc([N+](=O)[O-])cn2)c(Br)c1 ZINC000440544256 865812325 /nfs/dbraw/zinc/81/23/25/865812325.db2.gz QZUXRXDHPYPBKZ-UHFFFAOYSA-N 0 0 403.236 4.256 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2nc(C)c(C)s2)cc1 ZINC000440544569 865813085 /nfs/dbraw/zinc/81/30/85/865813085.db2.gz RNVFNKJNRHUCSL-UHFFFAOYSA-N 0 0 413.455 4.399 20 5 HIBDRN CCC[C@@](C)(O)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000440547284 865814447 /nfs/dbraw/zinc/81/44/47/865814447.db2.gz ACYPWTHJMMARTI-HXUWFJFHSA-N 0 0 405.882 4.141 20 5 HIBDRN Cc1nc(CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)sc1C ZINC000440595441 865829009 /nfs/dbraw/zinc/82/90/09/865829009.db2.gz DPWNFICPMQNXPV-BETUJISGSA-N 0 0 402.520 4.080 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000440598263 865830565 /nfs/dbraw/zinc/83/05/65/865830565.db2.gz VHJZMKBKTUTPDI-LBPRGKRZSA-N 0 0 413.446 4.077 20 5 HIBDRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1 ZINC000440598564 865830817 /nfs/dbraw/zinc/83/08/17/865830817.db2.gz NIRGHDLJHDTQHY-ICSRJNTNSA-N 0 0 423.513 4.413 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC000440602467 865832401 /nfs/dbraw/zinc/83/24/01/865832401.db2.gz WBGWVLPCTXEXBK-UHFFFAOYSA-N 0 0 419.437 4.368 20 5 HIBDRN Cc1noc(CSc2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)n1 ZINC000440619170 865842490 /nfs/dbraw/zinc/84/24/90/865842490.db2.gz BFKYPWKMOABNGU-UHFFFAOYSA-N 0 0 421.438 4.379 20 5 HIBDRN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000440624359 865844613 /nfs/dbraw/zinc/84/46/13/865844613.db2.gz AMIOZLSVSQXLGF-UHFFFAOYSA-N 0 0 404.451 4.751 20 5 HIBDRN Cc1cc(NCc2ccncc2OCC(F)F)c(Br)cc1[N+](=O)[O-] ZINC000440656653 865858641 /nfs/dbraw/zinc/85/86/41/865858641.db2.gz ZOQVLUOAEYJVFD-UHFFFAOYSA-N 0 0 402.195 4.317 20 5 HIBDRN CC(C)c1ncc(CN(C)c2c3cc(Br)ccc3ncc2[N+](=O)[O-])cn1 ZINC000440660826 865858992 /nfs/dbraw/zinc/85/89/92/865858992.db2.gz BCIGOCNRIZRISS-UHFFFAOYSA-N 0 0 416.279 4.455 20 5 HIBDRN O=C(NCc1cccc2c1OCO2)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440699675 865869324 /nfs/dbraw/zinc/86/93/24/865869324.db2.gz YHBOAKAWNOHLQX-UHFFFAOYSA-N 0 0 408.435 4.405 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000440711736 865871762 /nfs/dbraw/zinc/87/17/62/865871762.db2.gz ONLVZFBMIDVAHE-IBGZPJMESA-N 0 0 404.417 4.174 20 5 HIBDRN COc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000440721307 865874587 /nfs/dbraw/zinc/87/45/87/865874587.db2.gz GGODLNVSDIZIDH-UHFFFAOYSA-N 0 0 404.426 4.392 20 5 HIBDRN O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440725056 865876136 /nfs/dbraw/zinc/87/61/36/865876136.db2.gz LUDVRTGERMOJPV-UHFFFAOYSA-N 0 0 418.438 4.178 20 5 HIBDRN COC(=O)c1cc(N2CCC[C@@H]2c2cc(OC)ccc2OC)cc(C)c1[N+](=O)[O-] ZINC000440740301 865884016 /nfs/dbraw/zinc/88/40/16/865884016.db2.gz LQEPQUYLOKGZAE-GOSISDBHSA-N 0 0 400.431 4.049 20 5 HIBDRN CCCCOC1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000440823132 865938291 /nfs/dbraw/zinc/93/82/91/865938291.db2.gz LLLFKQFTVNHRBV-UHFFFAOYSA-N 0 0 403.523 4.252 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000440832363 865946666 /nfs/dbraw/zinc/94/66/66/865946666.db2.gz PFBJNADNVBVOEF-UHFFFAOYSA-N 0 0 411.241 4.142 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000440847484 865955534 /nfs/dbraw/zinc/95/55/34/865955534.db2.gz VXZWXWKGAKEMBC-ZBFHGGJFSA-N 0 0 404.488 4.429 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000440895177 865990267 /nfs/dbraw/zinc/99/02/67/865990267.db2.gz QPOIHQJUQJFPOF-QXHGNLAOSA-N 0 0 417.469 4.274 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ncc[nH]2)c2cc(C)ccc2Cl)c1 ZINC000440902167 866000181 /nfs/dbraw/zinc/00/01/81/866000181.db2.gz OSDIFKZJFQVUFS-UHFFFAOYSA-N 0 0 400.822 4.135 20 5 HIBDRN COc1ccc(CCn2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])c(C4CC4)n3)c2C)cc1 ZINC000468111572 881930397 /nfs/dbraw/zinc/93/03/97/881930397.db2.gz VSMJCRFJBJQPNB-UHFFFAOYSA-N 0 0 422.485 4.221 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000440977151 866060676 /nfs/dbraw/zinc/06/06/76/866060676.db2.gz XRBSUGVFZXSGRQ-UHFFFAOYSA-N 0 0 411.458 4.248 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCS[C@H]2COCC[C@H]21 ZINC000441065549 866150424 /nfs/dbraw/zinc/15/04/24/866150424.db2.gz KQGKFTVCSIRSCP-BEFAXECRSA-N 0 0 416.524 4.093 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000468122569 881958071 /nfs/dbraw/zinc/95/80/71/881958071.db2.gz XAERFBCEEXGRGZ-UHFFFAOYSA-N 0 0 414.874 4.162 20 5 HIBDRN Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000441251027 866323470 /nfs/dbraw/zinc/32/34/70/866323470.db2.gz GFBAVMAJCQBMGE-VQIMIIECSA-N 0 0 415.877 4.290 20 5 HIBDRN CCOc1cc(NC(=O)NCCc2ccc3[nH]ccc3c2)c([N+](=O)[O-])cc1OCC ZINC000441309200 866380709 /nfs/dbraw/zinc/38/07/09/866380709.db2.gz OZLMFRLKFKWNJY-UHFFFAOYSA-N 0 0 412.446 4.238 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000441377637 866446851 /nfs/dbraw/zinc/44/68/51/866446851.db2.gz MCCVFYSWKRVGJR-DZGCQCFKSA-N 0 0 417.893 4.454 20 5 HIBDRN Cc1cncc(N(Cc2ccc(F)cc2)C(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000441403074 866476829 /nfs/dbraw/zinc/47/68/29/866476829.db2.gz PXCCBKCBNFWJLG-UHFFFAOYSA-N 0 0 408.433 4.473 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](OC)C[C@H]2C)cc1 ZINC000441427628 866505285 /nfs/dbraw/zinc/50/52/85/866505285.db2.gz HEWIOEGJLVWZDC-RDTXWAMCSA-N 0 0 400.431 4.035 20 5 HIBDRN CCCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000441453628 866529976 /nfs/dbraw/zinc/52/99/76/866529976.db2.gz XYNJNCCUCVICGP-KRWDZBQOSA-N 0 0 413.449 4.029 20 5 HIBDRN COc1ccc(OCCN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c([N+](=O)[O-])c1 ZINC000441488805 866570909 /nfs/dbraw/zinc/57/09/09/866570909.db2.gz IEKYQKRUZBVTGE-GOSISDBHSA-N 0 0 424.457 4.259 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CC[C@H]([C@@H]4CCOC4)C3)cc2[N+](=O)[O-])n1 ZINC000441544722 866622893 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HRKZEMKYABQUNK-KZULUSFZSA-N 0 0 403.866 4.399 20 5 HIBDRN C[C@@H](O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC000468184518 882060811 /nfs/dbraw/zinc/06/08/11/882060811.db2.gz VWVOYQBBVFWZCD-TZMCWYRMSA-N 0 0 406.891 4.242 20 5 HIBDRN CCN(c1ccccc1Cl)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000442218634 867244857 /nfs/dbraw/zinc/24/48/57/867244857.db2.gz LUZUZDYWGZIWOA-UHFFFAOYSA-N 0 0 419.684 4.226 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(CCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000442292316 867310682 /nfs/dbraw/zinc/31/06/82/867310682.db2.gz NVWIRRSKNOYITG-ZDUSSCGKSA-N 0 0 423.391 4.214 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000442306537 867317003 /nfs/dbraw/zinc/31/70/03/867317003.db2.gz LIRUOKLHXKLFID-QGZVFWFLSA-N 0 0 423.803 4.219 20 5 HIBDRN CN(C)c1ccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cn1 ZINC000442306247 867317801 /nfs/dbraw/zinc/31/78/01/867317801.db2.gz PKNOGDKLCKZEOZ-UHFFFAOYSA-N 0 0 408.483 4.137 20 5 HIBDRN 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ZINC000468237670 882131594 /nfs/dbraw/zinc/13/15/94/882131594.db2.gz KCXACXFGQZHERR-SFHVURJKSA-N 0 0 409.486 4.398 20 5 HIBDRN C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 ZINC000443398401 867956569 /nfs/dbraw/zinc/95/65/69/867956569.db2.gz MKHPHKLTJTXQNY-LLVKDONJSA-N 0 0 419.359 4.401 20 5 HIBDRN Cc1ccc([C@@H](Nc2ncc([N+](=O)[O-])s2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000443523585 868081935 /nfs/dbraw/zinc/08/19/35/868081935.db2.gz QFPWYUSMQKDGPN-SFHVURJKSA-N 0 0 417.512 4.273 20 5 HIBDRN O=C(COc1ccsc1)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 ZINC000443529404 868087409 /nfs/dbraw/zinc/08/74/09/868087409.db2.gz HABGUXOYXZOODP-UHFFFAOYSA-N 0 0 410.411 4.120 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H](Oc4ccccc4Cl)C3)n2)c1 ZINC000443650132 868241809 /nfs/dbraw/zinc/24/18/09/868241809.db2.gz IQOPYGCPZJSPAO-INIZCTEOSA-N 0 0 414.849 4.342 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccs1 ZINC000443654834 868252495 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Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000443967058 868499360 /nfs/dbraw/zinc/49/93/60/868499360.db2.gz PQSHEOMNZGETKL-UHFFFAOYSA-N 0 0 423.372 4.206 20 5 HIBDRN Cc1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000443971968 868501663 /nfs/dbraw/zinc/50/16/63/868501663.db2.gz LJLLKNFKBLKOQS-CQSZACIVSA-N 0 0 402.394 4.184 20 5 HIBDRN COc1ccc(C[C@@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1OC ZINC000444002768 868524879 /nfs/dbraw/zinc/52/48/79/868524879.db2.gz GQDOYISWAROESN-OAHLLOKOSA-N 0 0 416.477 4.060 20 5 HIBDRN O=C(NC[C@@H]1CCc2ccccc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444005062 868526154 /nfs/dbraw/zinc/52/61/54/868526154.db2.gz OROROBCRFCCMCX-AWEZNQCLSA-N 0 0 404.416 4.419 20 5 HIBDRN O=C(N[C@@H]1CCOc2ccc(F)cc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444003863 868526906 /nfs/dbraw/zinc/52/69/06/868526906.db2.gz KKQIQOWOLXSJGO-GOSISDBHSA-N 0 0 424.378 4.352 20 5 HIBDRN C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000444009201 868531791 /nfs/dbraw/zinc/53/17/91/868531791.db2.gz LJQQRBPRAFMPFT-OPAMFIHVSA-N 0 0 404.422 4.357 20 5 HIBDRN CCCO[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444011762 868534145 /nfs/dbraw/zinc/53/41/45/868534145.db2.gz UFEKRDPWNIQWGP-HNNXBMFYSA-N 0 0 414.452 4.381 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2cc(F)ccc2Oc2ccc(C)cc2OC)c1[N+](=O)[O-] ZINC000444025756 868554564 /nfs/dbraw/zinc/55/45/64/868554564.db2.gz VJAXKRPAZBBUCY-UHFFFAOYSA-N 0 0 414.393 4.381 20 5 HIBDRN C[S@](=O)Cc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)ccc1Cl ZINC000444038589 868576483 /nfs/dbraw/zinc/57/64/83/868576483.db2.gz ZDETXXUOAQXGSP-LJAQVGFWSA-N 0 0 424.909 4.466 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1ccc(Br)cc1 ZINC000444054903 868594170 /nfs/dbraw/zinc/59/41/70/868594170.db2.gz YYQSMXPDJFYLRS-SFHVURJKSA-N 0 0 418.291 4.441 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C12CCC2 ZINC000444070695 868602886 /nfs/dbraw/zinc/60/28/86/868602886.db2.gz DRUFRTJBGHSVJJ-ZWKOTPCHSA-N 0 0 412.436 4.037 20 5 HIBDRN CCO[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1(C)C ZINC000444080529 868605235 /nfs/dbraw/zinc/60/52/35/868605235.db2.gz IYOBEUDIHUJFJZ-OALUTQOASA-N 0 0 414.452 4.235 20 5 HIBDRN Cc1ccccc1O[C@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444083095 868606742 /nfs/dbraw/zinc/60/67/42/868606742.db2.gz OPBWJVHPDDGKJB-CQSZACIVSA-N 0 0 422.431 4.465 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H](c2ccc(F)cc2)O1 ZINC000444083014 868607020 /nfs/dbraw/zinc/60/70/20/868607020.db2.gz IFZUCHLGZGXZEZ-NPMXOYFQSA-N 0 0 416.452 4.423 20 5 HIBDRN C[C@@H](COCc1ccccc1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444086717 868609573 /nfs/dbraw/zinc/60/95/73/868609573.db2.gz KIYMTIPXFJQGRC-AWEZNQCLSA-N 0 0 422.431 4.295 20 5 HIBDRN CCc1ccc([C@H]2COCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)o1 ZINC000444089497 868611046 /nfs/dbraw/zinc/61/10/46/868611046.db2.gz QFUGGXPNJLWCLA-OAQYLSRUSA-N 0 0 402.450 4.050 20 5 HIBDRN COc1cccc(F)c1[C@H](C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444097650 868616054 /nfs/dbraw/zinc/61/60/54/868616054.db2.gz VJHINWBDMVPPKJ-LBPRGKRZSA-N 0 0 408.404 4.459 20 5 HIBDRN CCS[C@H]1CCC[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444104572 868620078 /nfs/dbraw/zinc/62/00/78/868620078.db2.gz WNIIBQBXJGCXCQ-MSOLQXFVSA-N 0 0 402.466 4.364 20 5 HIBDRN COc1cccc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000444121591 868629563 /nfs/dbraw/zinc/62/95/63/868629563.db2.gz IHJNXWGRXFMIEA-MRXNPFEDSA-N 0 0 411.241 4.124 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(C(F)(F)F)CC1 ZINC000444120009 868629632 /nfs/dbraw/zinc/62/96/32/868629632.db2.gz UBASBSUWJZCUBB-UHFFFAOYSA-N 0 0 410.342 4.374 20 5 HIBDRN CC(C)(C)OC1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444227142 868676197 /nfs/dbraw/zinc/67/61/97/868676197.db2.gz OKCZFRPYDJBJHJ-UHFFFAOYSA-N 0 0 414.452 4.379 20 5 HIBDRN C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1noc(-c2ccccc2)n1 ZINC000444227614 868677847 /nfs/dbraw/zinc/67/78/47/868677847.db2.gz RFCQYXNMRVKGCC-AWEZNQCLSA-N 0 0 410.433 4.222 20 5 HIBDRN CN(CCOCc1ccccc1)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444229629 868679022 /nfs/dbraw/zinc/67/90/22/868679022.db2.gz VNESXOAUILAZFD-UHFFFAOYSA-N 0 0 422.431 4.248 20 5 HIBDRN CC(C)Oc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccn1 ZINC000444237737 868687309 /nfs/dbraw/zinc/68/73/09/868687309.db2.gz KJSXEOSQUUGKBW-UHFFFAOYSA-N 0 0 423.419 4.072 20 5 HIBDRN CC(C)Oc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccn1 ZINC000444244667 868692129 /nfs/dbraw/zinc/69/21/29/868692129.db2.gz XDAKMYSRJRYVSI-UHFFFAOYSA-N 0 0 423.419 4.072 20 5 HIBDRN CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444242999 868692615 /nfs/dbraw/zinc/69/26/15/868692615.db2.gz HGPAQJPTSJOINC-OAHLLOKOSA-N 0 0 408.498 4.264 20 5 HIBDRN C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444246730 868693961 /nfs/dbraw/zinc/69/39/61/868693961.db2.gz DUBSUHJOWKVARF-GFCCVEGCSA-N 0 0 408.404 4.026 20 5 HIBDRN CCc1n[nH]c(C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1[N+](=O)[O-] ZINC000444259391 868703860 /nfs/dbraw/zinc/70/38/60/868703860.db2.gz KWVHKGQFMKYGJZ-CQSZACIVSA-N 0 0 408.458 4.389 20 5 HIBDRN Cn1cc(-c2cccc(CNC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)c2)cn1 ZINC000444284158 868714341 /nfs/dbraw/zinc/71/43/41/868714341.db2.gz DIRMCGDLTOEISS-UHFFFAOYSA-N 0 0 408.461 4.012 20 5 HIBDRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444286840 868715198 /nfs/dbraw/zinc/71/51/98/868715198.db2.gz JHRDIURVQGSNJX-KRWDZBQOSA-N 0 0 417.896 4.343 20 5 HIBDRN CC(C)C[C@@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCO1 ZINC000444286691 868716356 /nfs/dbraw/zinc/71/63/56/868716356.db2.gz KTBPMZFXHOTSOD-HUUCEWRRSA-N 0 0 414.452 4.283 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000444286637 868716409 /nfs/dbraw/zinc/71/64/09/868716409.db2.gz AUESYMGCCMGRJV-SFHVURJKSA-N 0 0 408.461 4.118 20 5 HIBDRN Cc1n[nH]c2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc12 ZINC000444293053 868722081 /nfs/dbraw/zinc/72/20/81/868722081.db2.gz VTMBARKXLNNGLE-UHFFFAOYSA-N 0 0 404.376 4.397 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444295668 868723699 /nfs/dbraw/zinc/72/36/99/868723699.db2.gz SXSVKEKZFCVLMI-LFVRLGFBSA-N 0 0 404.441 4.326 20 5 HIBDRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000444298397 868728167 /nfs/dbraw/zinc/72/81/67/868728167.db2.gz NJGINQWJOQSKMG-MYYSRTQBSA-N 0 0 416.477 4.196 20 5 HIBDRN CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444301476 868732240 /nfs/dbraw/zinc/73/22/40/868732240.db2.gz FIDJMTVUYLHPHF-HXUWFJFHSA-N 0 0 408.498 4.169 20 5 HIBDRN COc1cccc2c1CCN(C(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)C2 ZINC000444302857 868734725 /nfs/dbraw/zinc/73/47/25/868734725.db2.gz RQSMDWJEIAFZMW-UHFFFAOYSA-N 0 0 420.415 4.167 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000444302517 868735462 /nfs/dbraw/zinc/73/54/62/868735462.db2.gz JMVWQATUXVPCAT-INIZCTEOSA-N 0 0 402.813 4.192 20 5 HIBDRN COCC[C@@H]1CCCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444308984 868739156 /nfs/dbraw/zinc/73/91/56/868739156.db2.gz DBGNEHCTHFBXPG-AWEZNQCLSA-N 0 0 414.452 4.238 20 5 HIBDRN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444318523 868746962 /nfs/dbraw/zinc/74/69/62/868746962.db2.gz XTSPALCDHUKYCR-MBSDFSHPSA-N 0 0 416.452 4.471 20 5 HIBDRN O=C(NCc1ncc(-c2ccccc2)cn1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444318660 868747364 /nfs/dbraw/zinc/74/73/64/868747364.db2.gz QLNKAEKIXIDINW-UHFFFAOYSA-N 0 0 424.435 4.207 20 5 HIBDRN COCC[C@@H]1CCCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444321838 868752814 /nfs/dbraw/zinc/75/28/14/868752814.db2.gz ULKGUKCFOCFPSW-AWEZNQCLSA-N 0 0 414.452 4.238 20 5 HIBDRN CCc1n[nH]c(C(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000444336306 868765021 /nfs/dbraw/zinc/76/50/21/868765021.db2.gz JREQBMHZEOEXJP-YWZLYKJASA-N 0 0 404.470 4.099 20 5 HIBDRN C[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ncn(C)n1 ZINC000444361183 868787037 /nfs/dbraw/zinc/78/70/37/868787037.db2.gz DHCKTWOBVBTKPJ-LLVKDONJSA-N 0 0 417.878 4.019 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2ccc(SCc3ccccc3Cl)cn2)c1[N+](=O)[O-] ZINC000444363474 868789833 /nfs/dbraw/zinc/78/98/33/868789833.db2.gz IKOXYMCDHMOZMO-UHFFFAOYSA-N 0 0 417.878 4.473 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CNc3c(F)cc(Br)cc3F)n2)cc1 ZINC000444403297 868813322 /nfs/dbraw/zinc/81/33/22/868813322.db2.gz XXVZXAOQKHXTPN-UHFFFAOYSA-N 0 0 411.162 4.298 20 5 HIBDRN O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444430455 868826412 /nfs/dbraw/zinc/82/64/12/868826412.db2.gz FKELKDCRPVTDQC-LLVKDONJSA-N 0 0 423.269 4.138 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1cccc(O)c1 ZINC000444442809 868830025 /nfs/dbraw/zinc/83/00/25/868830025.db2.gz LNBMUJNFJMEHGJ-JTQLQIEISA-N 0 0 421.240 4.284 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2[nH]ccc2cc1C ZINC000444459472 868837003 /nfs/dbraw/zinc/83/70/03/868837003.db2.gz YSPMJWQYWYDZTR-UHFFFAOYSA-N 0 0 413.455 4.292 20 5 HIBDRN O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000444467585 868840581 /nfs/dbraw/zinc/84/05/81/868840581.db2.gz OEFXWKFKVSEXAU-BDJLRTHQSA-N 0 0 402.394 4.023 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000444525116 868868633 /nfs/dbraw/zinc/86/86/33/868868633.db2.gz PRUAEBSBGILURU-UHFFFAOYSA-N 0 0 422.310 4.356 20 5 HIBDRN Cc1cccc2nc(C3CCN(C(=O)CCNc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000444553623 868879326 /nfs/dbraw/zinc/87/93/26/868879326.db2.gz RYNVQXQSXSRGQM-UHFFFAOYSA-N 0 0 408.458 4.253 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000444637242 868922561 /nfs/dbraw/zinc/92/25/61/868922561.db2.gz QBKHJQSLRUVQPS-UHFFFAOYSA-N 0 0 404.213 4.189 20 5 HIBDRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642805 868926662 /nfs/dbraw/zinc/92/66/62/868926662.db2.gz UQCRNJACPKGWEP-SNVBAGLBSA-N 0 0 407.257 4.273 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000444648654 868929350 /nfs/dbraw/zinc/92/93/50/868929350.db2.gz YSRSIPWLNOPFJP-RYUDHWBXSA-N 0 0 405.241 4.198 20 5 HIBDRN C[C@H](N[C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000444656936 868935506 /nfs/dbraw/zinc/93/55/06/868935506.db2.gz IVIVBEOFMLZCRA-RYUDHWBXSA-N 0 0 403.389 4.017 20 5 HIBDRN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2n1C(F)F ZINC000444683601 868958349 /nfs/dbraw/zinc/95/83/49/868958349.db2.gz YOBAZFIINHKWBI-SNVBAGLBSA-N 0 0 423.807 4.282 20 5 HIBDRN Cc1ccc(-c2cc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)n[nH]2)s1 ZINC000444688636 868958366 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20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3csc(-c4cccs4)n3)n2)c1 ZINC000445577462 869636165 /nfs/dbraw/zinc/63/61/65/869636165.db2.gz RAODYZIULNCJEP-UHFFFAOYSA-N 0 0 414.468 4.353 20 5 HIBDRN CCCN(CC)C(=O)c1ccc(-c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)cc1 ZINC000445578547 869638590 /nfs/dbraw/zinc/63/85/90/869638590.db2.gz GPMYGQUMTRBCGK-UHFFFAOYSA-N 0 0 424.457 4.116 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(COc3cc(Cl)c(Cl)cc3Cl)n2)n1C ZINC000445605618 869670791 /nfs/dbraw/zinc/67/07/91/869670791.db2.gz VGDFOIUFPAORPA-UHFFFAOYSA-N 0 0 418.624 4.226 20 5 HIBDRN CCCOc1nc2ccccc2cc1/C=C/c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000445612217 869676683 /nfs/dbraw/zinc/67/66/83/869676683.db2.gz JHYOKAHJUHRABB-MDZDMXLPSA-N 0 0 420.429 4.194 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(CC(Cc3ccccc3)Cc3ccccc3)n2)n1C ZINC000445616021 869679935 /nfs/dbraw/zinc/67/99/35/869679935.db2.gz NUTHLUFVNHOJAP-UHFFFAOYSA-N 0 0 417.469 4.331 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(/C=C/c3ccc(Oc4cccnc4)c(F)c3)n2)n1C ZINC000445619802 869683494 /nfs/dbraw/zinc/68/34/94/869683494.db2.gz GBLONFCLLAHMRM-SOFGYWHQSA-N 0 0 422.376 4.184 20 5 HIBDRN Cc1ccc2c(Cc3noc(Cn4ccc5cc([N+](=O)[O-])ccc54)n3)cn(C)c2c1 ZINC000445624284 869689976 /nfs/dbraw/zinc/68/99/76/869689976.db2.gz QCGJEWHUPYAUNV-UHFFFAOYSA-N 0 0 401.426 4.372 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1OC(F)F ZINC000445629844 869696905 /nfs/dbraw/zinc/69/69/05/869696905.db2.gz UCWRAALCHWLVAL-UHFFFAOYSA-N 0 0 401.163 4.140 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(-c4cnn(C(C)(C)C)c4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000445645103 869716027 /nfs/dbraw/zinc/71/60/27/869716027.db2.gz ZQBIYOLWQQKXJQ-UHFFFAOYSA-N 0 0 421.461 4.125 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000468386488 882332051 /nfs/dbraw/zinc/33/20/51/882332051.db2.gz XQHTZRSRGJMBAH-QWRGUYRKSA-N 0 0 410.804 4.440 20 5 HIBDRN CC[C@H](NC(=O)Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000445702571 869766708 /nfs/dbraw/zinc/76/67/08/869766708.db2.gz PMOJNBUXNDKQOF-SFHVURJKSA-N 0 0 408.458 4.114 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1Br ZINC000445713457 869774516 /nfs/dbraw/zinc/77/45/16/869774516.db2.gz FMDIXBUSCSQWKH-GFCCVEGCSA-N 0 0 407.264 4.176 20 5 HIBDRN COCCCOc1ccc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)cc1 ZINC000445774317 869816409 /nfs/dbraw/zinc/81/64/09/869816409.db2.gz NIBLDCSNFOEKOA-UHFFFAOYSA-N 0 0 421.356 4.329 20 5 HIBDRN COC1(c2noc(-c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)n2)CCOCC1 ZINC000445794608 869827574 /nfs/dbraw/zinc/82/75/74/869827574.db2.gz KRLFRVBSEUEQAN-UHFFFAOYSA-N 0 0 407.492 4.435 20 5 HIBDRN CC(C)N(C)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000445802246 869830729 /nfs/dbraw/zinc/83/07/29/869830729.db2.gz MDOXPERERGAGAI-UHFFFAOYSA-N 0 0 406.280 4.383 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCSC[C@@H]1c1ccccc1 ZINC000445807904 869833703 /nfs/dbraw/zinc/83/37/03/869833703.db2.gz OCQHKAIEDPSJMG-QGZVFWFLSA-N 0 0 421.316 4.217 20 5 HIBDRN COc1cc(Cc2noc([C@@H]3C[C@H]3c3c(F)cccc3F)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445816101 869838118 /nfs/dbraw/zinc/83/81/18/869838118.db2.gz SIEHZYDXYQAGNY-CHWSQXEVSA-N 0 0 417.368 4.135 20 5 HIBDRN COc1cc(Cc2noc([C@H]3C[C@@H]3c3sccc3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445816356 869838164 /nfs/dbraw/zinc/83/81/64/869838164.db2.gz VSTGMBBSJWAXCV-KBPBESRZSA-N 0 0 401.444 4.227 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc(OC4CCC4)cc3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445821175 869843818 /nfs/dbraw/zinc/84/38/18/869843818.db2.gz WKNVNGFETCCYFU-UHFFFAOYSA-N 0 0 411.414 4.184 20 5 HIBDRN COc1cc(Cc2noc([C@H](C)Sc3ccccc3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445825803 869847424 /nfs/dbraw/zinc/84/74/24/869847424.db2.gz TVEBUZZEOMBZII-LBPRGKRZSA-N 0 0 401.444 4.439 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1ccc(-c2ccco2)cc1F ZINC000468403284 882345652 /nfs/dbraw/zinc/34/56/52/882345652.db2.gz WLCDEYZDAPGGBV-UHFFFAOYSA-N 0 0 421.384 4.237 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000445904988 869880214 /nfs/dbraw/zinc/88/02/14/869880214.db2.gz VJRAMDRUGZSTLS-DENIHFKCSA-N 0 0 409.486 4.139 20 5 HIBDRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000445920135 869888328 /nfs/dbraw/zinc/88/83/28/869888328.db2.gz QVADMKOGIYBCDG-AWEZNQCLSA-N 0 0 405.292 4.427 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2nnc(-c3ccccc3)o2)no1 ZINC000445999283 869962256 /nfs/dbraw/zinc/96/22/56/869962256.db2.gz SZYLHBYCYWQNON-JTQLQIEISA-N 0 0 413.777 4.488 20 5 HIBDRN COc1nc(C)c(Br)cc1-c1noc(-c2cc(C)cc([N+](=O)[O-])c2)n1 ZINC000446006614 869971827 /nfs/dbraw/zinc/97/18/27/869971827.db2.gz DEVOJTKRFLQSFS-UHFFFAOYSA-N 0 0 405.208 4.095 20 5 HIBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccc(OCC(F)(F)F)nc2)no1 ZINC000446011446 869978330 /nfs/dbraw/zinc/97/83/30/869978330.db2.gz MUDFHTGGEVOKDI-XYOKQWHBSA-N 0 0 420.347 4.465 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc([C@H]3CSc4ccccc4O3)no2)ccc1OC(F)F ZINC000446014722 869981832 /nfs/dbraw/zinc/98/18/32/869981832.db2.gz ZOINAAJDKYLBJE-CYBMUJFWSA-N 0 0 407.354 4.472 20 5 HIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)CCc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000446014754 869982126 /nfs/dbraw/zinc/98/21/26/869982126.db2.gz ZTUYWOZBUAKUKH-UHFFFAOYSA-N 0 0 407.470 4.424 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc([C@H]2CSc3ccccc3O2)no1 ZINC000446016783 869984181 /nfs/dbraw/zinc/98/41/81/869984181.db2.gz UZKFXCZXWRISQR-OAHLLOKOSA-N 0 0 419.846 4.479 20 5 HIBDRN O=[N+]([O-])c1ccccc1-n1ccc(-c2nc([C@H]3CSc4ccccc4O3)no2)n1 ZINC000446016452 869984515 /nfs/dbraw/zinc/98/45/15/869984515.db2.gz RUTYATALBPROGQ-MRXNPFEDSA-N 0 0 407.411 4.056 20 5 HIBDRN Cc1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)ccc1C(=O)NC(C)C ZINC000446034414 869998473 /nfs/dbraw/zinc/99/84/73/869998473.db2.gz CQBCFJRNUXJPMP-UHFFFAOYSA-N 0 0 413.477 4.380 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1ccncc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000446079307 870028805 /nfs/dbraw/zinc/02/88/05/870028805.db2.gz IZMXTUFMTKFHMT-HNNXBMFYSA-N 0 0 418.272 4.333 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000446083800 870031380 /nfs/dbraw/zinc/03/13/80/870031380.db2.gz HRTBMTRBVXGECS-IBGZPJMESA-N 0 0 413.861 4.145 20 5 HIBDRN COC(=O)c1cccc(F)c1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000446099540 870047404 /nfs/dbraw/zinc/04/74/04/870047404.db2.gz MUAGTXCSROZEER-ZDUSSCGKSA-N 0 0 415.421 4.009 20 5 HIBDRN Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])n(Cc2ccccc2)n1 ZINC000446104993 870052152 /nfs/dbraw/zinc/05/21/52/870052152.db2.gz XMVQPVXATRFWAS-UHFFFAOYSA-N 0 0 421.276 4.224 20 5 HIBDRN CC(C)Nc1cc(F)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446313268 870236819 /nfs/dbraw/zinc/23/68/19/870236819.db2.gz RBRDLVCYSMPYKF-UHFFFAOYSA-N 0 0 410.243 4.498 20 5 HIBDRN CCCOc1cc(C)ccc1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000446399350 870300499 /nfs/dbraw/zinc/30/04/99/870300499.db2.gz AIDGBJRJKZIVJZ-UHFFFAOYSA-N 0 0 424.400 4.232 20 5 HIBDRN C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446422445 870335871 /nfs/dbraw/zinc/33/58/71/870335871.db2.gz JESSHPONYIDECT-LBPRGKRZSA-N 0 0 421.316 4.423 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000446427356 870342560 /nfs/dbraw/zinc/34/25/60/870342560.db2.gz DERFBUZXZNQVJX-HXUWFJFHSA-N 0 0 402.422 4.412 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446427558 870343804 /nfs/dbraw/zinc/34/38/04/870343804.db2.gz GZIDPIYAVOSHKI-OAHLLOKOSA-N 0 0 422.485 4.341 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])sc2nccn12 ZINC000446428136 870345153 /nfs/dbraw/zinc/34/51/53/870345153.db2.gz PGFWHTKRUCYMTE-UHFFFAOYSA-N 0 0 408.439 4.444 20 5 HIBDRN CN(C(=O)c1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1)c1ccccc1 ZINC000446429546 870346596 /nfs/dbraw/zinc/34/65/96/870346596.db2.gz LAMVVMXLMDJCCK-UHFFFAOYSA-N 0 0 415.449 4.070 20 5 HIBDRN Cc1nn(C)c(C(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000446432118 870349664 /nfs/dbraw/zinc/34/96/64/870349664.db2.gz FWLNUDGNKOSLAB-GOSISDBHSA-N 0 0 410.861 4.230 20 5 HIBDRN COC(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c(F)c1 ZINC000446432718 870351531 /nfs/dbraw/zinc/35/15/31/870351531.db2.gz KSILRUVVWIONLZ-UHFFFAOYSA-N 0 0 424.384 4.352 20 5 HIBDRN O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446435879 870354500 /nfs/dbraw/zinc/35/45/00/870354500.db2.gz HCYSADDSWZNMRK-UHFFFAOYSA-N 0 0 420.347 4.028 20 5 HIBDRN O=C(Cc1noc2ccccc12)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446436700 870356388 /nfs/dbraw/zinc/35/63/88/870356388.db2.gz VVMBADJFLOIZFF-UHFFFAOYSA-N 0 0 403.394 4.496 20 5 HIBDRN Cc1nc(COc2ccccc2C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC000446438658 870357307 /nfs/dbraw/zinc/35/73/07/870357307.db2.gz RIDKOUZZGHTQLZ-UHFFFAOYSA-N 0 0 409.467 4.137 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000446482384 870395085 /nfs/dbraw/zinc/39/50/85/870395085.db2.gz RRUFWQUODJUCGM-QGZVFWFLSA-N 0 0 407.373 4.110 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000446490516 870404265 /nfs/dbraw/zinc/40/42/65/870404265.db2.gz NBGWXBGYWUGRRK-UHFFFAOYSA-N 0 0 403.866 4.427 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000446494132 870408944 /nfs/dbraw/zinc/40/89/44/870408944.db2.gz JVOUCOOHRDOPIV-UHFFFAOYSA-N 0 0 402.882 4.296 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1 ZINC000446611261 870513744 /nfs/dbraw/zinc/51/37/44/870513744.db2.gz NZRYLHSYVOVDJN-KKUMJFAQSA-N 0 0 400.431 4.034 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Cl)c(Br)c2)cc([N+](=O)[O-])c1OC ZINC000446625316 870528476 /nfs/dbraw/zinc/52/84/76/870528476.db2.gz RBPXYVSKIKPFNU-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000468468834 882416955 /nfs/dbraw/zinc/41/69/55/882416955.db2.gz IGVBTGJPDZYNFS-INIZCTEOSA-N 0 0 407.430 4.365 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1nc(-c3ccc(C(F)(F)F)cc3)no1)CC2 ZINC000446714793 870630551 /nfs/dbraw/zinc/63/05/51/870630551.db2.gz NMIKQGMRAHCAKN-UHFFFAOYSA-N 0 0 404.348 4.222 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1[N+](=O)[O-] ZINC000446785237 870703052 /nfs/dbraw/zinc/70/30/52/870703052.db2.gz LTBFWZRCLHFKML-UHFFFAOYSA-N 0 0 423.400 4.199 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446840353 870758678 /nfs/dbraw/zinc/75/86/78/870758678.db2.gz FLOKDLYNXHFWLX-UHFFFAOYSA-N 0 0 414.368 4.335 20 5 HIBDRN CC(C)(C)c1nn(Cc2ccccc2)cc1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446850038 870771313 /nfs/dbraw/zinc/77/13/13/870771313.db2.gz URMMPEDPNNRNAX-UHFFFAOYSA-N 0 0 418.501 4.303 20 5 HIBDRN COC(=O)c1cc(NCCc2nc3ccccc3n2C(F)F)cc(C)c1[N+](=O)[O-] ZINC000446868962 870788092 /nfs/dbraw/zinc/78/80/92/870788092.db2.gz VHWOUHHXADQAST-UHFFFAOYSA-N 0 0 404.373 4.089 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000446925733 870838112 /nfs/dbraw/zinc/83/81/12/870838112.db2.gz RMVMPDFNCOSVLQ-UHFFFAOYSA-N 0 0 407.300 4.316 20 5 HIBDRN CCCc1c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cnn1-c1cccc(C)c1 ZINC000446975947 870874139 /nfs/dbraw/zinc/87/41/39/870874139.db2.gz FCILKDLIOJXVCH-UHFFFAOYSA-N 0 0 424.457 4.068 20 5 HIBDRN CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446994716 870882676 /nfs/dbraw/zinc/88/26/76/870882676.db2.gz UTLYZDKPOCOVDB-UHFFFAOYSA-N 0 0 413.293 4.189 20 5 HIBDRN CC[C@@H](c1ccncc1)N(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447031573 870906864 /nfs/dbraw/zinc/90/68/64/870906864.db2.gz YTIMEQFQJTYPIK-HNNXBMFYSA-N 0 0 417.409 4.171 20 5 HIBDRN C[C@@H]1C[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447033275 870908509 /nfs/dbraw/zinc/90/85/09/870908509.db2.gz GDHTZCAYONYLMT-OCCSQVGLSA-N 0 0 414.405 4.180 20 5 HIBDRN Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000447034477 870911022 /nfs/dbraw/zinc/91/10/22/870911022.db2.gz RULVOBVZWYQMEX-GFCCVEGCSA-N 0 0 413.293 4.047 20 5 HIBDRN CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447039236 870915609 /nfs/dbraw/zinc/91/56/09/870915609.db2.gz NZOQVRLPAQJKKK-ZDUSSCGKSA-N 0 0 420.434 4.373 20 5 HIBDRN CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447039234 870915960 /nfs/dbraw/zinc/91/59/60/870915960.db2.gz NZOQVRLPAQJKKK-CYBMUJFWSA-N 0 0 420.434 4.373 20 5 HIBDRN C[C@H](c1ccccc1F)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447040218 870917907 /nfs/dbraw/zinc/91/79/07/870917907.db2.gz RMAYFGAHXIZJTK-SNVBAGLBSA-N 0 0 406.357 4.134 20 5 HIBDRN CCOCCOc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1Br ZINC000447058471 870938025 /nfs/dbraw/zinc/93/80/25/870938025.db2.gz UFAQTXAEWDCHMH-UHFFFAOYSA-N 0 0 410.268 4.088 20 5 HIBDRN COC(=O)c1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000447097135 870994894 /nfs/dbraw/zinc/99/48/94/870994894.db2.gz AHFLFHAXGXHYGY-UHFFFAOYSA-N 0 0 406.394 4.213 20 5 HIBDRN 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CCOc1cc(C(=O)N(C)CC(C)(C)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000460511465 873198475 /nfs/dbraw/zinc/19/84/75/873198475.db2.gz NFECWEDQFTYMBC-UHFFFAOYSA-N 0 0 400.475 4.360 20 5 HIBDRN CSc1ccc(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000460512625 873200051 /nfs/dbraw/zinc/20/00/51/873200051.db2.gz AEPQXVDQHPHTGI-AWEZNQCLSA-N 0 0 419.934 4.489 20 5 HIBDRN COC(=O)c1cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)cc([N+](=O)[O-])c1 ZINC000460521068 873210950 /nfs/dbraw/zinc/21/09/50/873210950.db2.gz JQPNUTANMTUFNN-UHFFFAOYSA-N 0 0 422.359 4.209 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000460534715 873231612 /nfs/dbraw/zinc/23/16/12/873231612.db2.gz SHUJWZRVDSMFKE-ZDUSSCGKSA-N 0 0 408.285 4.421 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000460549751 873259216 /nfs/dbraw/zinc/25/92/16/873259216.db2.gz RAQGSFRNONNVJS-HNNXBMFYSA-N 0 0 419.934 4.246 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000460558337 873281681 /nfs/dbraw/zinc/28/16/81/873281681.db2.gz PFDJQEXVMNHANR-FQEVSTJZSA-N 0 0 403.429 4.091 20 5 HIBDRN COc1ccc2c(c1)CN(c1nnc(-c3ccc([N+](=O)[O-])cc3)n1CC(C)C)CC2 ZINC000460571605 873305546 /nfs/dbraw/zinc/30/55/46/873305546.db2.gz HJERLKGPTKTSKK-UHFFFAOYSA-N 0 0 407.474 4.081 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@H](C)CO2)c1 ZINC000460582692 873318189 /nfs/dbraw/zinc/31/81/89/873318189.db2.gz JFVPJCZLVBVBMS-UZLBHIALSA-N 0 0 400.500 4.292 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000460631274 873372661 /nfs/dbraw/zinc/37/26/61/873372661.db2.gz DTJWOCOSNUBPKK-UHFFFAOYSA-N 0 0 406.769 4.018 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC2(C1)CCCCC2 ZINC000460654489 873395906 /nfs/dbraw/zinc/39/59/06/873395906.db2.gz LAWJHHIEADLRIK-GOSISDBHSA-N 0 0 421.925 4.185 20 5 HIBDRN C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000460657132 873399643 /nfs/dbraw/zinc/39/96/43/873399643.db2.gz RWIWHKHIUKIFEI-JXFKEZNVSA-N 0 0 404.470 4.261 20 5 HIBDRN COc1ccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000460658505 873401792 /nfs/dbraw/zinc/40/17/92/873401792.db2.gz UNDMERSJFIINKL-LLVKDONJSA-N 0 0 409.236 4.080 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCC[C@H](SC)C1 ZINC000460703791 873482685 /nfs/dbraw/zinc/48/26/85/873482685.db2.gz IAZMWCARYAMTHH-SFHVURJKSA-N 0 0 419.551 4.002 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2F)C(C)C)cc1OC ZINC000468619965 882737469 /nfs/dbraw/zinc/73/74/69/882737469.db2.gz ILYHBBYBBGPJEO-IBGZPJMESA-N 0 0 408.401 4.407 20 5 HIBDRN CCOc1cc(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000468626142 882752866 /nfs/dbraw/zinc/75/28/66/882752866.db2.gz ZWNANXTVSNPWTH-NSHDSACASA-N 0 0 406.385 4.040 20 5 HIBDRN CC(C)Cn1c(COCc2ccccc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460851260 873749403 /nfs/dbraw/zinc/74/94/03/873749403.db2.gz RPSYKRFALLYSLA-UHFFFAOYSA-N 0 0 421.501 4.122 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000460993801 873877322 /nfs/dbraw/zinc/87/73/22/873877322.db2.gz UKDBEQFTKQMNMU-GOSISDBHSA-N 0 0 406.486 4.474 20 5 HIBDRN Cc1c(CSC(C)C)cccc1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000461015470 873885631 /nfs/dbraw/zinc/88/56/31/873885631.db2.gz UTCWOJBKBLMDKN-OAHLLOKOSA-N 0 0 415.515 4.302 20 5 HIBDRN C[C@@H]1CCCN(C(=O)c2cc(C(=O)N3CCC[C@H](C)[C@@H]3C)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000461031671 873894575 /nfs/dbraw/zinc/89/45/75/873894575.db2.gz XNLJDFBBHSQHOJ-WNKDZCFJSA-N 0 0 401.507 4.116 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)[C@H]2CCCC[C@@H]12 ZINC000461046973 873914897 /nfs/dbraw/zinc/91/48/97/873914897.db2.gz DYGQPISZNULAAT-TTYHFUOFSA-N 0 0 411.506 4.047 20 5 HIBDRN COC(=O)c1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)cc([N+](=O)[O-])c1 ZINC000461068061 873953629 /nfs/dbraw/zinc/95/36/29/873953629.db2.gz QWYKMFZAOAXFOG-UHFFFAOYSA-N 0 0 422.359 4.461 20 5 HIBDRN CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(C(=O)N2[C@H](CC)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000461099349 874017604 /nfs/dbraw/zinc/01/76/04/874017604.db2.gz DTFRGYOYLLPILB-WTLGNFPFSA-N 0 0 401.507 4.401 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 ZINC000461111793 874034351 /nfs/dbraw/zinc/03/43/51/874034351.db2.gz RYPXBEDPDNWFAL-MRXNPFEDSA-N 0 0 405.857 4.090 20 5 HIBDRN CCSCC[C@@H](C)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 ZINC000461152450 874101865 /nfs/dbraw/zinc/10/18/65/874101865.db2.gz HWRZAMVTTLWTLN-CRAIPNDOSA-N 0 0 419.551 4.000 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000461178350 874159068 /nfs/dbraw/zinc/15/90/68/874159068.db2.gz IJBYPBLKGUSNED-UHFFFAOYSA-N 0 0 419.441 4.073 20 5 HIBDRN Cc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 ZINC000461208211 874210454 /nfs/dbraw/zinc/21/04/54/874210454.db2.gz HYSRQTAHUVWFLG-UHFFFAOYSA-N 0 0 419.684 4.144 20 5 HIBDRN CO[C@@H]1CCOc2c(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000468675613 882804834 /nfs/dbraw/zinc/80/48/34/882804834.db2.gz YYGOKPNWXMUJNA-MRXNPFEDSA-N 0 0 406.822 4.126 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)n1 ZINC000461264078 874271673 /nfs/dbraw/zinc/27/16/73/874271673.db2.gz FNWTYGSMMGHRNS-HNNXBMFYSA-N 0 0 412.412 4.217 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)c3nc4ccccc4n3C)cc2[N+](=O)[O-])C1 ZINC000461303294 874309345 /nfs/dbraw/zinc/30/93/45/874309345.db2.gz WLGFODYMGJUHAU-HZPDHXFCSA-N 0 0 421.501 4.240 20 5 HIBDRN CCC(CC)(CNC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000461319635 874328079 /nfs/dbraw/zinc/32/80/79/874328079.db2.gz WEZGVMOGRVVRPC-UHFFFAOYSA-N 0 0 400.475 4.408 20 5 HIBDRN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000461321040 874330516 /nfs/dbraw/zinc/33/05/16/874330516.db2.gz IVZDFVDXGUBYKD-OAHLLOKOSA-N 0 0 415.515 4.066 20 5 HIBDRN CCC1(O)CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000461329145 874339098 /nfs/dbraw/zinc/33/90/98/874339098.db2.gz FOQSUBRNACQZFB-UHFFFAOYSA-N 0 0 404.850 4.418 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCOC4(CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000461330307 874340126 /nfs/dbraw/zinc/34/01/26/874340126.db2.gz DANHSWRCRHWLDV-QGZVFWFLSA-N 0 0 401.507 4.006 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCOC3(CCCCC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000461337777 874347652 /nfs/dbraw/zinc/34/76/52/874347652.db2.gz CGYQGISFCSWORP-KRWDZBQOSA-N 0 0 424.501 4.338 20 5 HIBDRN CC(C)n1ncc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1-c1ccccc1 ZINC000461395003 874403165 /nfs/dbraw/zinc/40/31/65/874403165.db2.gz SEADAZKSDSQEFJ-UHFFFAOYSA-N 0 0 406.442 4.074 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNCc3ncc(-c4ccccc4)cn3)cs2)c1 ZINC000461403507 874414022 /nfs/dbraw/zinc/41/40/22/874414022.db2.gz FAXBAPPQTWFKMW-UHFFFAOYSA-N 0 0 403.467 4.465 20 5 HIBDRN COc1c(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c(C)nn1C ZINC000461409051 874423102 /nfs/dbraw/zinc/42/31/02/874423102.db2.gz VOONOTFOPPKRTC-UHFFFAOYSA-N 0 0 416.865 4.381 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(N4CCC4=O)c3)cc2[N+](=O)[O-])C1 ZINC000468724923 882829781 /nfs/dbraw/zinc/82/97/81/882829781.db2.gz MPOMBIDTTPPPML-IYBDPMFKSA-N 0 0 422.485 4.066 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3Cc4ccccc4C3)n2Cc2cccs2)cc1 ZINC000461481567 874540456 /nfs/dbraw/zinc/54/04/56/874540456.db2.gz BBAWMHSACQUCTL-UHFFFAOYSA-N 0 0 403.467 4.483 20 5 HIBDRN CC(C)(C)C[C@@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 ZINC000461537134 874624030 /nfs/dbraw/zinc/62/40/30/874624030.db2.gz SQJOKWBPSILPJE-LPHOPBHVSA-N 0 0 413.522 4.295 20 5 HIBDRN CCO[C@H]1C[C@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C12CCCCC2 ZINC000461544121 874631118 /nfs/dbraw/zinc/63/11/18/874631118.db2.gz LCQPHDURFGNKKG-ROUUACIJSA-N 0 0 408.520 4.183 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)c2ccccc21 ZINC000461565401 874662057 /nfs/dbraw/zinc/66/20/57/874662057.db2.gz IBYWFKLLNCLXCA-HZPDHXFCSA-N 0 0 405.458 4.145 20 5 HIBDRN C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)c2ccccc21 ZINC000461565400 874662448 /nfs/dbraw/zinc/66/24/48/874662448.db2.gz IBYWFKLLNCLXCA-HOTGVXAUSA-N 0 0 405.458 4.145 20 5 HIBDRN CCCCCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1)C(C)C ZINC000461570219 874669171 /nfs/dbraw/zinc/66/91/71/874669171.db2.gz VIBQVNGHDIPZBK-QGZVFWFLSA-N 0 0 401.511 4.295 20 5 HIBDRN CCn1c2ccccc2c(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000468781707 882856914 /nfs/dbraw/zinc/85/69/14/882856914.db2.gz BTHDHSBZMRQGJW-UHFFFAOYSA-N 0 0 401.422 4.281 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000461639740 874798409 /nfs/dbraw/zinc/79/84/09/874798409.db2.gz JJYJLLAIQLKWKJ-INIZCTEOSA-N 0 0 412.833 4.324 20 5 HIBDRN CC(C)(C)c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@H]1CCCCO1 ZINC000461647891 874804477 /nfs/dbraw/zinc/80/44/77/874804477.db2.gz DGHSCWUSIXBICH-GOSISDBHSA-N 0 0 413.522 4.222 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@H]3C3CCC3)n2C[C@H]2CCCCO2)cc1 ZINC000461649873 874806370 /nfs/dbraw/zinc/80/63/70/874806370.db2.gz JTZSRLDWBWJGMW-WOJBJXKFSA-N 0 0 411.506 4.191 20 5 HIBDRN Cc1ccccc1[C@H](C)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 ZINC000461694452 874844029 /nfs/dbraw/zinc/84/40/29/874844029.db2.gz VJNWJPMQOQRYGD-ROUUACIJSA-N 0 0 421.501 4.396 20 5 HIBDRN O=C(NCCc1ncc[nH]1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000468808669 882870182 /nfs/dbraw/zinc/87/01/82/882870182.db2.gz CTTYBORAKUOUBK-UHFFFAOYSA-N 0 0 402.863 4.095 20 5 HIBDRN COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000461755875 874892819 /nfs/dbraw/zinc/89/28/19/874892819.db2.gz MZVRBHJYFFXYQA-KBXCAEBGSA-N 0 0 416.861 4.030 20 5 HIBDRN COc1cc(S(=O)(=O)N(Cc2ccco2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000468822081 882876593 /nfs/dbraw/zinc/87/65/93/882876593.db2.gz DTNHDQDGKHHQIV-UHFFFAOYSA-N 0 0 422.846 4.245 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2nnc(C3CCC3)n2C[C@H]2CCCCO2)C2CC2)cc1 ZINC000461843594 874983085 /nfs/dbraw/zinc/98/30/85/874983085.db2.gz ZONLAYSCKXXWES-HXUWFJFHSA-N 0 0 411.506 4.192 20 5 HIBDRN C[C@]1(c2ccc(F)cc2)NC(=O)N(c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000461897670 875043498 /nfs/dbraw/zinc/04/34/98/875043498.db2.gz DGDZXAJHWSPVTF-JOCHJYFZSA-N 0 0 421.384 4.498 20 5 HIBDRN COc1ccc(Cc2nnc(Sc3cc(C)c([N+](=O)[O-])cc3F)o2)cc1OC ZINC000461943307 875076967 /nfs/dbraw/zinc/07/69/67/875076967.db2.gz WUIDCNCRRIQTPP-UHFFFAOYSA-N 0 0 405.407 4.185 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000468875779 882907357 /nfs/dbraw/zinc/90/73/57/882907357.db2.gz HGPRUSONWZHNRX-OAHLLOKOSA-N 0 0 416.909 4.371 20 5 HIBDRN CCN([C@H](C)c1cccnc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462137221 875236863 /nfs/dbraw/zinc/23/68/63/875236863.db2.gz HUDVADODMMQRLL-SNVBAGLBSA-N 0 0 404.275 4.068 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)cc2[N+](=O)[O-])n1 ZINC000462174736 875272233 /nfs/dbraw/zinc/27/22/33/875272233.db2.gz IHIBEGQQVJNUEF-ZBFHGGJFSA-N 0 0 419.528 4.198 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000462190537 875295510 /nfs/dbraw/zinc/29/55/10/875295510.db2.gz QNHNLBLHOZMXNL-QVKFZJNVSA-N 0 0 412.442 4.083 20 5 HIBDRN Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000462283225 875409367 /nfs/dbraw/zinc/40/93/67/875409367.db2.gz ZMUKMVSHIIBBHL-QMMMGPOBSA-N 0 0 424.331 4.357 20 5 HIBDRN Cn1nc2c(c1CNC(=O)c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)CCCC2 ZINC000462359355 875473204 /nfs/dbraw/zinc/47/32/04/875473204.db2.gz RDFOZLYGTUKDCI-UHFFFAOYSA-N 0 0 422.510 4.288 20 5 HIBDRN COc1cc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000462372462 875484228 /nfs/dbraw/zinc/48/42/28/875484228.db2.gz JUUWVOHMDWTZKC-CTYIDZIISA-N 0 0 405.248 4.042 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(NCC2(c3cc(Cl)ccc3OC)CCOCC2)c1 ZINC000462392623 875502653 /nfs/dbraw/zinc/50/26/53/875502653.db2.gz WATNWPZTQRSQTR-UHFFFAOYSA-N 0 0 406.866 4.426 20 5 HIBDRN COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462399346 875507339 /nfs/dbraw/zinc/50/73/39/875507339.db2.gz VHFFJTXEELDCLS-MRVPVSSYSA-N 0 0 423.249 4.089 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000462420532 875526561 /nfs/dbraw/zinc/52/65/61/875526561.db2.gz MHGUKUMAXXWYNF-MRXNPFEDSA-N 0 0 410.392 4.421 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000462420347 875526727 /nfs/dbraw/zinc/52/67/27/875526727.db2.gz VEYCQGMROCVUIF-DJJJIMSYSA-N 0 0 424.906 4.016 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000462419107 875527392 /nfs/dbraw/zinc/52/73/92/875527392.db2.gz IWZUWMUKUYJNFE-WBVHZDCISA-N 0 0 424.501 4.325 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000462422761 875528974 /nfs/dbraw/zinc/52/89/74/875528974.db2.gz PHZKQFBPUXAOJI-RTBURBONSA-N 0 0 409.486 4.041 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000462433605 875538605 /nfs/dbraw/zinc/53/86/05/875538605.db2.gz UVQGIFMFUKXGHH-APWZRJJASA-N 0 0 411.502 4.465 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000462440179 875547493 /nfs/dbraw/zinc/54/74/93/875547493.db2.gz QGIOWQGGJQQPOI-CQSZACIVSA-N 0 0 423.391 4.094 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000462440001 875547542 /nfs/dbraw/zinc/54/75/42/875547542.db2.gz IOYKVFXNEVFHDU-INIZCTEOSA-N 0 0 417.893 4.292 20 5 HIBDRN C[C@H](c1ccsc1)N1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000462447467 875554575 /nfs/dbraw/zinc/55/45/75/875554575.db2.gz OIWTYBXOQXXGGO-KGLIPLIRSA-N 0 0 422.938 4.016 20 5 HIBDRN Cc1cc(CCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1Cl ZINC000462447223 875554720 /nfs/dbraw/zinc/55/47/20/875554720.db2.gz VKLZXALSOJRXFT-UHFFFAOYSA-N 0 0 416.783 4.470 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(Cl)c(C)c1 ZINC000462463893 875571943 /nfs/dbraw/zinc/57/19/43/875571943.db2.gz NQKILTMHUFVINK-UHFFFAOYSA-N 0 0 408.907 4.268 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000462480717 875587786 /nfs/dbraw/zinc/58/77/86/875587786.db2.gz OHBSNGRKQFBMAV-QGZVFWFLSA-N 0 0 412.486 4.029 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000462488897 875597487 /nfs/dbraw/zinc/59/74/87/875597487.db2.gz JACDVRNMSJLJDO-IBGZPJMESA-N 0 0 413.543 4.351 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000462488898 875598525 /nfs/dbraw/zinc/59/85/25/875598525.db2.gz JACDVRNMSJLJDO-LJQANCHMSA-N 0 0 413.543 4.351 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)c([N+](=O)[O-])c1 ZINC000462493144 875603874 /nfs/dbraw/zinc/60/38/74/875603874.db2.gz XXKXJPMMUFJENO-AWEZNQCLSA-N 0 0 409.533 4.051 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000462494799 875605978 /nfs/dbraw/zinc/60/59/78/875605978.db2.gz MMJXRLQBCFVVBQ-APWZRJJASA-N 0 0 423.473 4.122 20 5 HIBDRN Cc1ccccc1C1CC(N(C2CC2)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000462496868 875610934 /nfs/dbraw/zinc/61/09/34/875610934.db2.gz WRZHWAFICUHCQF-UHFFFAOYSA-N 0 0 400.500 4.144 20 5 HIBDRN COc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1OC ZINC000462501363 875617630 /nfs/dbraw/zinc/61/76/30/875617630.db2.gz MLIYRGAPLIPOCE-OAHLLOKOSA-N 0 0 409.442 4.759 20 5 HIBDRN C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000462571381 875695275 /nfs/dbraw/zinc/69/52/75/875695275.db2.gz HSXREVHAXCPQEH-ZUZCIYMTSA-N 0 0 401.271 4.283 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H]1c1cccc(C)c1C ZINC000462586146 875704016 /nfs/dbraw/zinc/70/40/16/875704016.db2.gz DZCUWVOHKFRMMQ-GOSISDBHSA-N 0 0 404.488 4.136 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000462618433 875731345 /nfs/dbraw/zinc/73/13/45/875731345.db2.gz RPZCKCHIWGWPSL-AWEZNQCLSA-N 0 0 414.849 4.183 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000462638258 875748930 /nfs/dbraw/zinc/74/89/30/875748930.db2.gz DRFIPAHGNBPUEU-AWEZNQCLSA-N 0 0 403.479 4.102 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000462638394 875749194 /nfs/dbraw/zinc/74/91/94/875749194.db2.gz HPJORXYYKOGYLT-LJQANCHMSA-N 0 0 405.454 4.012 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000462645764 875755654 /nfs/dbraw/zinc/75/56/54/875755654.db2.gz GVYGOYHQVQPUQL-OAHLLOKOSA-N 0 0 417.506 4.491 20 5 HIBDRN Cc1nn(C)c2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc12 ZINC000462668721 875767277 /nfs/dbraw/zinc/76/72/77/875767277.db2.gz COTJHAFBIKBFQE-UHFFFAOYSA-N 0 0 418.403 4.407 20 5 HIBDRN Cc1c(Br)c(N2CCN([C@H](C)c3ccsc3)CC2)ncc1[N+](=O)[O-] ZINC000462697425 875786771 /nfs/dbraw/zinc/78/67/71/875786771.db2.gz DJDFTRREYSSDTB-GFCCVEGCSA-N 0 0 411.325 4.005 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000468908909 882965127 /nfs/dbraw/zinc/96/51/27/882965127.db2.gz HWFGRWMAJDQAHJ-ZDUSSCGKSA-N 0 0 407.854 4.021 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)cc1SC ZINC000462763404 875826126 /nfs/dbraw/zinc/82/61/26/875826126.db2.gz OMNPBMOJXMWWBX-UHFFFAOYSA-N 0 0 412.471 4.380 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CCC(=O)N(CC)CC)CC1 ZINC000462763298 875826388 /nfs/dbraw/zinc/82/63/88/875826388.db2.gz OKPSAULYLQZVIR-FQEVSTJZSA-N 0 0 417.550 4.051 20 5 HIBDRN CC[C@H](C)NC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000462778108 875834698 /nfs/dbraw/zinc/83/46/98/875834698.db2.gz RFAVPGKOYGLISR-LBPRGKRZSA-N 0 0 406.280 4.498 20 5 HIBDRN COc1cc(NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000462780175 875836319 /nfs/dbraw/zinc/83/63/19/875836319.db2.gz PTURNVJNZCWMGU-ACJLOTCBSA-N 0 0 423.872 4.270 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCCO)Cc1cccc(Cl)c1 ZINC000462780509 875836541 /nfs/dbraw/zinc/83/65/41/875836541.db2.gz XHMHDSIADMNNCC-SFHVURJKSA-N 0 0 404.894 4.228 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(NCCCOC3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000462872120 875901987 /nfs/dbraw/zinc/90/19/87/875901987.db2.gz CVJPCPKGZXAGHX-UHFFFAOYSA-N 0 0 413.474 4.153 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)[C@@H]1Nc2ccccc2C(=O)N1Cc1cccnc1 ZINC000468916358 882975564 /nfs/dbraw/zinc/97/55/64/882975564.db2.gz KOVSQARYGVOACV-MCZSENPKSA-N 0 0 400.438 4.487 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCC(OC(C)(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000468918474 882977339 /nfs/dbraw/zinc/97/73/39/882977339.db2.gz IORQJVOAAOXMGX-INIZCTEOSA-N 0 0 403.523 4.251 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000462914527 875939740 /nfs/dbraw/zinc/93/97/40/875939740.db2.gz QZPMVWNWWIRCLC-VQIMIIECSA-N 0 0 404.850 4.054 20 5 HIBDRN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000462916984 875942701 /nfs/dbraw/zinc/94/27/01/875942701.db2.gz MJIMNRGCKREOQB-KBXCAEBGSA-N 0 0 424.375 4.186 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000462925691 875954266 /nfs/dbraw/zinc/95/42/66/875954266.db2.gz UJYRVJSBFSSGDM-INIZCTEOSA-N 0 0 402.520 4.245 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000462925960 875955535 /nfs/dbraw/zinc/95/55/35/875955535.db2.gz OASGSKMVWKSQMK-INIZCTEOSA-N 0 0 422.510 4.178 20 5 HIBDRN CNc1c(C(=O)N2CCC(c3c[nH]c4ccc(OC)cc43)CC2)cccc1[N+](=O)[O-] ZINC000462932384 875960129 /nfs/dbraw/zinc/96/01/29/875960129.db2.gz KGOJVBXZKCATSB-UHFFFAOYSA-N 0 0 408.458 4.146 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000462936107 875962139 /nfs/dbraw/zinc/96/21/39/875962139.db2.gz NVCWJUQJDUWBBO-GFCCVEGCSA-N 0 0 407.820 4.266 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccncc1)Cc1cccnc1 ZINC000462985969 875999557 /nfs/dbraw/zinc/99/95/57/875999557.db2.gz FFKRGHSAEZMDSV-NRFANRHFSA-N 0 0 404.470 4.183 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(-c2ccncc2)cs1 ZINC000462991611 876005887 /nfs/dbraw/zinc/00/58/87/876005887.db2.gz NWXILGMJUQKNAF-MRXNPFEDSA-N 0 0 410.499 4.041 20 5 HIBDRN O=[N+]([O-])c1cc(C[S@@](=O)Cc2cc(Cl)ccc2Cl)c2c(c1)COCO2 ZINC000462995058 876009209 /nfs/dbraw/zinc/00/92/09/876009209.db2.gz VGAZUUCYMCMGPA-VWLOTQADSA-N 0 0 402.255 4.217 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463001534 876016199 /nfs/dbraw/zinc/01/61/99/876016199.db2.gz LSCCIHCUGPRSCV-GFCCVEGCSA-N 0 0 402.275 4.145 20 5 HIBDRN COCC[C@@H]1COCCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000463026668 876046285 /nfs/dbraw/zinc/04/62/85/876046285.db2.gz BBNOQZVPYGRTOO-MRXNPFEDSA-N 0 0 406.866 4.278 20 5 HIBDRN CS(=O)(=O)C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000463056939 876084202 /nfs/dbraw/zinc/08/42/02/876084202.db2.gz NYZVZNPHHLFMOV-SFHVURJKSA-N 0 0 416.524 4.199 20 5 HIBDRN COc1ccccc1[C@@H](C)Sc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000463073537 876104227 /nfs/dbraw/zinc/10/42/27/876104227.db2.gz ZSLTXBBYBDXGMP-CQSZACIVSA-N 0 0 422.528 4.241 20 5 HIBDRN O=C(NCc1cc(Br)cs1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463124325 876166465 /nfs/dbraw/zinc/16/64/65/876166465.db2.gz MXXCXGJAPLEGIA-UHFFFAOYSA-N 0 0 409.183 4.368 20 5 HIBDRN COc1ccccc1[C@H](C)SCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000463192571 876251133 /nfs/dbraw/zinc/25/11/33/876251133.db2.gz MBMMUFWYTCLENE-ZDUSSCGKSA-N 0 0 418.471 4.198 20 5 HIBDRN COc1ccc(Cc2nnc(S[C@@H](C)c3ccccc3[N+](=O)[O-])o2)cc1OC ZINC000463204846 876265689 /nfs/dbraw/zinc/26/56/89/876265689.db2.gz LDZLRTNRCKAIJE-LBPRGKRZSA-N 0 0 401.444 4.439 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000463227589 876284908 /nfs/dbraw/zinc/28/49/08/876284908.db2.gz HIOGBPBCQHAKLA-AWEZNQCLSA-N 0 0 411.487 4.071 20 5 HIBDRN O=C1[C@@H](Sc2nnc(CCCc3ccccc3)o2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000463239441 876294991 /nfs/dbraw/zinc/29/49/91/876294991.db2.gz WOWJURZGSSGQLL-SFHVURJKSA-N 0 0 424.482 4.051 20 5 HIBDRN C[C@H](C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cccc(Br)c1 ZINC000463286968 876345926 /nfs/dbraw/zinc/34/59/26/876345926.db2.gz WSMWIAJCAOTMDI-NSHDSACASA-N 0 0 421.247 4.261 20 5 HIBDRN Cc1cc(C)nc(Sc2ccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2)n1 ZINC000463336354 876392513 /nfs/dbraw/zinc/39/25/13/876392513.db2.gz RCVMNTBTAPFLMN-UHFFFAOYSA-N 0 0 423.498 4.228 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463433231 876489149 /nfs/dbraw/zinc/48/91/49/876489149.db2.gz ZNANDLNMFILCEQ-UHFFFAOYSA-N 0 0 418.375 4.346 20 5 HIBDRN COc1cc(CSc2nnc(C(C)C)n2Cc2ccco2)c([N+](=O)[O-])cc1F ZINC000463437442 876493754 /nfs/dbraw/zinc/49/37/54/876493754.db2.gz DXISWIPEPPKWRV-UHFFFAOYSA-N 0 0 406.439 4.391 20 5 HIBDRN COc1cc(Cn2nc(-c3ccc(Br)cc3)nc2C)c([N+](=O)[O-])cc1F ZINC000463442589 876500937 /nfs/dbraw/zinc/50/09/37/876500937.db2.gz LMJPGZMNUQTCRA-UHFFFAOYSA-N 0 0 421.226 4.120 20 5 HIBDRN CCn1c(SCc2cc(OC)c(F)cc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 ZINC000463446271 876506156 /nfs/dbraw/zinc/50/61/56/876506156.db2.gz WLSJBZHKSRFKKH-UHFFFAOYSA-N 0 0 406.414 4.452 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000463528092 876601478 /nfs/dbraw/zinc/60/14/78/876601478.db2.gz OCNGWTQWHWMGJE-JCNLHEQBSA-N 0 0 418.291 4.445 20 5 HIBDRN CN(CC(=O)Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000463538993 876619934 /nfs/dbraw/zinc/61/99/34/876619934.db2.gz CJKDKFIDPOGMOQ-UHFFFAOYSA-N 0 0 417.425 4.115 20 5 HIBDRN O=C(COc1c(F)cccc1[N+](=O)[O-])N1CCc2sccc2[C@H]1c1ccccc1 ZINC000463569491 876663847 /nfs/dbraw/zinc/66/38/47/876663847.db2.gz MWESMHVDKMGZIC-HXUWFJFHSA-N 0 0 412.442 4.349 20 5 HIBDRN Cc1ccc([C@H](NC(=O)COc2c(F)cccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000463573774 876669326 /nfs/dbraw/zinc/66/93/26/876669326.db2.gz GINPEWGNWJOYPQ-IBGZPJMESA-N 0 0 400.431 4.388 20 5 HIBDRN COc1ccccc1N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000463583623 876686098 /nfs/dbraw/zinc/68/60/98/876686098.db2.gz SCXJRUGPCMHMIE-UHFFFAOYSA-N 0 0 423.391 4.021 20 5 HIBDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000463662421 876783990 /nfs/dbraw/zinc/78/39/90/876783990.db2.gz SEVBLGBJRVDDMF-LBPRGKRZSA-N 0 0 421.375 4.231 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(N[C@H](C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000463750245 876873986 /nfs/dbraw/zinc/87/39/86/876873986.db2.gz XRNKDKNBHVKLAL-LLVKDONJSA-N 0 0 410.348 4.365 20 5 HIBDRN COc1ccc(N(Cc2cccs2)C(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000463753619 876876378 /nfs/dbraw/zinc/87/63/78/876876378.db2.gz DYRMLMBAYYVJMD-UHFFFAOYSA-N 0 0 411.483 4.335 20 5 HIBDRN Cc1nc(COc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)no1 ZINC000463798883 876916085 /nfs/dbraw/zinc/91/60/85/876916085.db2.gz MOVCBJOQSDIYNF-UHFFFAOYSA-N 0 0 422.319 4.136 20 5 HIBDRN C[C@@H](O)C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000469018124 883086469 /nfs/dbraw/zinc/08/64/69/883086469.db2.gz OTCUVJMNLYHDJC-PBHICJAKSA-N 0 0 411.483 4.003 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000463930674 877050586 /nfs/dbraw/zinc/05/05/86/877050586.db2.gz MOTBTAXSKCNOHJ-INIZCTEOSA-N 0 0 415.465 4.168 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000463956792 877079793 /nfs/dbraw/zinc/07/97/93/877079793.db2.gz BGHHIDGHFYIXGM-KRWDZBQOSA-N 0 0 416.865 4.134 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000463958253 877081667 /nfs/dbraw/zinc/08/16/67/877081667.db2.gz JSXGHLYWIJHTNK-UHFFFAOYSA-N 0 0 423.372 4.206 20 5 HIBDRN COc1ccc(C(=O)C2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cc1 ZINC000463960665 877084457 /nfs/dbraw/zinc/08/44/57/877084457.db2.gz YUGQDCLSITYFJC-UHFFFAOYSA-N 0 0 411.458 4.347 20 5 HIBDRN COc1cccc(-c2noc([C@@H](C)NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)n2)c1 ZINC000463964439 877089676 /nfs/dbraw/zinc/08/96/76/877089676.db2.gz NPPUHENNXHFCBG-CYBMUJFWSA-N 0 0 411.418 4.153 20 5 HIBDRN COc1cc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc(OC)c1OC ZINC000463966974 877092265 /nfs/dbraw/zinc/09/22/65/877092265.db2.gz IYUJRGWAVSCDOI-ZDUSSCGKSA-N 0 0 403.435 4.120 20 5 HIBDRN Cc1ccnc(Oc2cc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])ccc2C)c1 ZINC000463996461 877131666 /nfs/dbraw/zinc/13/16/66/877131666.db2.gz NBUMHNXHOAMNLJ-UHFFFAOYSA-N 0 0 406.442 4.474 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000464008055 877142410 /nfs/dbraw/zinc/14/24/10/877142410.db2.gz TTZWTTHPJTWVQP-LBPRGKRZSA-N 0 0 409.364 4.046 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000464044047 877184304 /nfs/dbraw/zinc/18/43/04/877184304.db2.gz XKZWWLKDAKPYNN-KRWDZBQOSA-N 0 0 403.866 4.317 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000464050754 877192444 /nfs/dbraw/zinc/19/24/44/877192444.db2.gz NKHLRYDYZYZALS-NSHDSACASA-N 0 0 424.284 4.204 20 5 HIBDRN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000464053367 877196949 /nfs/dbraw/zinc/19/69/49/877196949.db2.gz ZZMGTASLFPTKQW-FCHUYYIVSA-N 0 0 404.470 4.497 20 5 HIBDRN CSc1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)c2cc(F)ccc2F)c1 ZINC000464115448 877270311 /nfs/dbraw/zinc/27/03/11/877270311.db2.gz GVGBUJCRHNDKMI-LJQANCHMSA-N 0 0 417.437 4.453 20 5 HIBDRN CSc1cccc([C@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 ZINC000464119490 877273316 /nfs/dbraw/zinc/27/33/16/877273316.db2.gz DHAINBNBOUIGAU-INIZCTEOSA-N 0 0 418.425 4.146 20 5 HIBDRN CSc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)c2ccc(F)c(F)c2)c1 ZINC000464138166 877301728 /nfs/dbraw/zinc/30/17/28/877301728.db2.gz XHCBDBGRHLFAHW-IBGZPJMESA-N 0 0 417.437 4.453 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccn(-c2ccc(F)cc2F)n1 ZINC000464150217 877317864 /nfs/dbraw/zinc/31/78/64/877317864.db2.gz CTCOBGKAAKALTR-UHFFFAOYSA-N 0 0 412.274 4.330 20 5 HIBDRN CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H](C)CC(=O)Nc1ccccc1 ZINC000503239017 912219406 /nfs/dbraw/zinc/21/94/06/912219406.db2.gz FQFUBEQAZPHUNV-OAHLLOKOSA-N 0 0 414.462 4.265 20 5 HIBDRN COc1ccc(CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC2CC2)c(OC)c1 ZINC000503241035 912220147 /nfs/dbraw/zinc/22/01/47/912220147.db2.gz ZUQUDRZHUDUHJQ-UHFFFAOYSA-N 0 0 424.457 4.074 20 5 HIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000464164441 877330293 /nfs/dbraw/zinc/33/02/93/877330293.db2.gz PBWFFNXVGUWJHO-SFHVURJKSA-N 0 0 414.505 4.253 20 5 HIBDRN COc1ccccc1C[C@@H](C)N(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464165482 877331869 /nfs/dbraw/zinc/33/18/69/877331869.db2.gz ATHRFWPMKBEOBM-ZIAGYGMSSA-N 0 0 406.866 4.114 20 5 HIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464165479 877332218 /nfs/dbraw/zinc/33/22/18/877332218.db2.gz ATHRFWPMKBEOBM-KBPBESRZSA-N 0 0 406.866 4.114 20 5 HIBDRN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@H]1c1cccc(F)c1 ZINC000464202607 877373729 /nfs/dbraw/zinc/37/37/29/877373729.db2.gz CNSSPRHOWIBOLO-ZUOKHONESA-N 0 0 415.446 4.054 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCc2c(C)oc3ccccc32)cc1SC ZINC000464255386 877433961 /nfs/dbraw/zinc/43/39/61/877433961.db2.gz AOBWNNTYKQIZKW-UHFFFAOYSA-N 0 0 400.456 4.352 20 5 HIBDRN CSCc1cccnc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000464281981 877469232 /nfs/dbraw/zinc/46/92/32/877469232.db2.gz RIHQXALUXYELHH-UHFFFAOYSA-N 0 0 400.485 4.253 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CCN(C)c4ccc(F)cc43)cc2[N+](=O)[O-])CC1 ZINC000464283383 877472353 /nfs/dbraw/zinc/47/23/53/877472353.db2.gz DYXMXVRMMGIGEY-UHFFFAOYSA-N 0 0 412.465 4.067 20 5 HIBDRN CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000464285347 877473718 /nfs/dbraw/zinc/47/37/18/877473718.db2.gz NVPWUPIDIUJDFR-UHFFFAOYSA-N 0 0 406.486 4.409 20 5 HIBDRN COc1ccc(Br)c(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000503260903 912241255 /nfs/dbraw/zinc/24/12/55/912241255.db2.gz RAQORQYPJDGPJY-UHFFFAOYSA-N 0 0 417.263 4.379 20 5 HIBDRN C[C@@H](c1nccs1)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000464327119 877516731 /nfs/dbraw/zinc/51/67/31/877516731.db2.gz KLPKHIFLSLWNRL-INIZCTEOSA-N 0 0 402.523 4.364 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccccc2n1CCOC ZINC000464349099 877541178 /nfs/dbraw/zinc/54/11/78/877541178.db2.gz XXDRSKSQDPMVLJ-UHFFFAOYSA-N 0 0 414.487 4.345 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](CO)c3ccc(Br)cc3)o2)cc1 ZINC000503265512 912246643 /nfs/dbraw/zinc/24/66/43/912246643.db2.gz MIKMSFQKAJLLTF-GOSISDBHSA-N 0 0 417.259 4.441 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H](n2cccn2)Cc2ccccc21 ZINC000464398245 877600144 /nfs/dbraw/zinc/60/01/44/877600144.db2.gz LCJRYXDBKBXUDL-KRWDZBQOSA-N 0 0 404.451 4.450 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CNc3cccc(CN4CCOCC4)n3)s2)cc1 ZINC000503271969 912256074 /nfs/dbraw/zinc/25/60/74/912256074.db2.gz XPFJXFWIVJRWAH-UHFFFAOYSA-N 0 0 410.499 4.163 20 5 HIBDRN COc1ccc(OCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c(C(C)=O)c1 ZINC000503275454 912258665 /nfs/dbraw/zinc/25/86/65/912258665.db2.gz KMMTZQYCORUZOO-UHFFFAOYSA-N 0 0 411.357 4.038 20 5 HIBDRN CCCCN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000464440011 877653375 /nfs/dbraw/zinc/65/33/75/877653375.db2.gz HBOUTTOQGQTKJL-UHFFFAOYSA-N 0 0 421.906 4.127 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464453544 877670598 /nfs/dbraw/zinc/67/05/98/877670598.db2.gz BKFZOAOWOJQMIK-LLVKDONJSA-N 0 0 410.927 4.478 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000464454784 877672628 /nfs/dbraw/zinc/67/26/28/877672628.db2.gz JJSJQICTVFVVBK-JTQLQIEISA-N 0 0 409.284 4.108 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000464456164 877676317 /nfs/dbraw/zinc/67/63/17/877676317.db2.gz AVCICJVOBPBYPN-LBPRGKRZSA-N 0 0 400.818 4.124 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000464458831 877680012 /nfs/dbraw/zinc/68/00/12/877680012.db2.gz JSKVASBENWYNIV-SNVBAGLBSA-N 0 0 401.216 4.078 20 5 HIBDRN COCC[C@@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC000503282435 912263292 /nfs/dbraw/zinc/26/32/92/912263292.db2.gz RQTOXYLUACGFMT-CQSZACIVSA-N 0 0 406.236 4.110 20 5 HIBDRN COc1cc(CN[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC000464491856 877711208 /nfs/dbraw/zinc/71/12/08/877711208.db2.gz BYQBSIKHZFOOPW-GOSISDBHSA-N 0 0 404.438 4.224 20 5 HIBDRN O=C(Nc1nc2cc(Br)ccc2[nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000464559791 877777212 /nfs/dbraw/zinc/77/72/12/877777212.db2.gz VNCPQNMRBIJVRA-UHFFFAOYSA-N 0 0 401.176 4.232 20 5 HIBDRN Cc1oc2ccccc2c1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000464563311 877780978 /nfs/dbraw/zinc/78/09/78/877780978.db2.gz IFZDQPOCTWGHEZ-QGZVFWFLSA-N 0 0 410.426 4.462 20 5 HIBDRN CSc1ccc(C(=O)Nc2nc3cc(Br)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000464574000 877795984 /nfs/dbraw/zinc/79/59/84/877795984.db2.gz ATVGEPYPASVXPZ-UHFFFAOYSA-N 0 0 407.249 4.208 20 5 HIBDRN Cc1cc(C2CC2)nc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000464592170 877818513 /nfs/dbraw/zinc/81/85/13/877818513.db2.gz KELRFSOWMPKXPD-KBPBESRZSA-N 0 0 409.490 4.305 20 5 HIBDRN CO[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000464592701 877820064 /nfs/dbraw/zinc/82/00/64/877820064.db2.gz NZIMSGNPMZWRIA-GTNSWQLSSA-N 0 0 413.257 4.173 20 5 HIBDRN CCOc1ccc(C(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000464602652 877832182 /nfs/dbraw/zinc/83/21/82/877832182.db2.gz MJNPXISEWKUPDZ-FQEVSTJZSA-N 0 0 412.486 4.166 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000464611304 877837491 /nfs/dbraw/zinc/83/74/91/877837491.db2.gz VDHHZQYHKJWPLU-XMMPIXPASA-N 0 0 410.514 4.350 20 5 HIBDRN COc1ccccc1C[C@@H](C)CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464629659 877847352 /nfs/dbraw/zinc/84/73/52/877847352.db2.gz KXGZKYGPIHUYEK-QGZVFWFLSA-N 0 0 412.486 4.242 20 5 HIBDRN O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464631730 877849090 /nfs/dbraw/zinc/84/90/90/877849090.db2.gz VMMXYAKUPWTXCC-KGLIPLIRSA-N 0 0 400.397 4.333 20 5 HIBDRN O=C(c1ccc(OCC(F)(F)F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464639794 877858417 /nfs/dbraw/zinc/85/84/17/877858417.db2.gz PUKGJGCBXLKMAJ-UHFFFAOYSA-N 0 0 424.375 4.220 20 5 HIBDRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464643782 877862101 /nfs/dbraw/zinc/86/21/01/877862101.db2.gz PTFCMPQCIBGJKT-OAHLLOKOSA-N 0 0 418.877 4.394 20 5 HIBDRN COc1cc(COc2cccc(-n3ccnc3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000503300368 912283033 /nfs/dbraw/zinc/28/30/33/912283033.db2.gz DKLOSKLLQPAIIC-UHFFFAOYSA-N 0 0 405.357 4.012 20 5 HIBDRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000464648959 877868895 /nfs/dbraw/zinc/86/88/95/877868895.db2.gz HJOXPPQNNHUPDN-LJQANCHMSA-N 0 0 407.470 4.248 20 5 HIBDRN CC1(C)CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000464653368 877873444 /nfs/dbraw/zinc/87/34/44/877873444.db2.gz PWGLWFWJIGWFPR-LEWJYISDSA-N 0 0 410.470 4.203 20 5 HIBDRN Cn1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C2CCCCC2)n1 ZINC000464657594 877878921 /nfs/dbraw/zinc/87/89/21/877878921.db2.gz ABACFHNJFQKJPH-UHFFFAOYSA-N 0 0 412.490 4.060 20 5 HIBDRN O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464664289 877884555 /nfs/dbraw/zinc/88/45/55/877884555.db2.gz ZTZPTXRHYCRTGU-UHFFFAOYSA-N 0 0 412.339 4.436 20 5 HIBDRN Cc1cc(OC(F)F)c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000464664516 877884593 /nfs/dbraw/zinc/88/45/93/877884593.db2.gz QNGWMQLSXDRBSV-UHFFFAOYSA-N 0 0 412.414 4.250 20 5 HIBDRN O=C(CCSc1ccccc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464669440 877889711 /nfs/dbraw/zinc/88/97/11/877889711.db2.gz ZDLOUROBFQPBNW-UHFFFAOYSA-N 0 0 404.463 4.286 20 5 HIBDRN COC(=O)c1c(C)c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F ZINC000464695558 877909961 /nfs/dbraw/zinc/90/99/61/877909961.db2.gz XGEPUKRZCQWIEW-UHFFFAOYSA-N 0 0 400.284 4.100 20 5 HIBDRN O=c1c(Cl)c(N2CCC[C@H]2/C=C\c2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000503304844 912288349 /nfs/dbraw/zinc/28/83/49/912288349.db2.gz RBWQLTNMPGMSNC-JJEJIETFSA-N 0 0 422.872 4.476 20 5 HIBDRN O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000464709376 877932949 /nfs/dbraw/zinc/93/29/49/877932949.db2.gz KMPCBUSHKYWARD-SFHVURJKSA-N 0 0 420.387 4.438 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000464718703 877945822 /nfs/dbraw/zinc/94/58/22/877945822.db2.gz FYBKYUPDTLWDAP-UHFFFAOYSA-N 0 0 411.439 4.304 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(C(C)=O)cc1OC ZINC000464721180 877948506 /nfs/dbraw/zinc/94/85/06/877948506.db2.gz VKIIMDRZGCJMPY-UHFFFAOYSA-N 0 0 400.431 4.166 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000464725562 877958797 /nfs/dbraw/zinc/95/87/97/877958797.db2.gz YARGEOVABXEKPA-UHFFFAOYSA-N 0 0 406.229 4.297 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2ccccc12)NCCc1cccc2cccnc21 ZINC000464795180 878039819 /nfs/dbraw/zinc/03/98/19/878039819.db2.gz PCSUZKLCFSMDGL-UHFFFAOYSA-N 0 0 401.422 4.034 20 5 HIBDRN COc1cc(OC)c(NC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)cc1Cl ZINC000464801639 878043196 /nfs/dbraw/zinc/04/31/96/878043196.db2.gz LMGIEPSOTAXOFH-UHFFFAOYSA-N 0 0 416.817 4.436 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000464900021 878210004 /nfs/dbraw/zinc/21/00/04/878210004.db2.gz LBXWGBFDWFXGHL-XXBNENTESA-N 0 0 407.470 4.142 20 5 HIBDRN COc1ccc(OC(F)F)c(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000465026116 878389601 /nfs/dbraw/zinc/38/96/01/878389601.db2.gz ZRDRJESKZRHAFM-UHFFFAOYSA-N 0 0 408.382 4.350 20 5 HIBDRN Cc1ccc([C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccccc2)cc1 ZINC000465028149 878392042 /nfs/dbraw/zinc/39/20/42/878392042.db2.gz HJEMHJSRSQASLI-XMMPIXPASA-N 0 0 418.449 4.123 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000465037229 878398610 /nfs/dbraw/zinc/39/86/10/878398610.db2.gz RXUHSEZRHKIENI-UHFFFAOYSA-N 0 0 421.409 4.080 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000465047650 878410360 /nfs/dbraw/zinc/41/03/60/878410360.db2.gz MAJIUBZOISWNJY-CQSZACIVSA-N 0 0 416.524 4.173 20 5 HIBDRN COc1ccc(OC(F)F)c(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1 ZINC000465061227 878422936 /nfs/dbraw/zinc/42/29/36/878422936.db2.gz VZOGWGCQEJWDGQ-UHFFFAOYSA-N 0 0 421.400 4.053 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCC(N4CCc5ccccc54)CC3)co2)cc1 ZINC000503374331 912354544 /nfs/dbraw/zinc/35/45/44/912354544.db2.gz JUHDRMLBSGUBET-UHFFFAOYSA-N 0 0 404.470 4.277 20 5 HIBDRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000465152029 878531843 /nfs/dbraw/zinc/53/18/43/878531843.db2.gz CDNLIOXXEWXHDB-KBXCAEBGSA-N 0 0 414.458 4.064 20 5 HIBDRN CCCn1ccc2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc21 ZINC000465157797 878538725 /nfs/dbraw/zinc/53/87/25/878538725.db2.gz UVJVJJXQSGFCEV-UHFFFAOYSA-N 0 0 422.441 4.286 20 5 HIBDRN Cc1cccc([C@@H]2CCCCN2C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1C ZINC000465161514 878543560 /nfs/dbraw/zinc/54/35/60/878543560.db2.gz DEVOGGUWVGOBAK-IBGZPJMESA-N 0 0 410.470 4.279 20 5 HIBDRN Cc1cccc(-c2cccc(CNC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)c2)c1 ZINC000465166442 878548487 /nfs/dbraw/zinc/54/84/87/878548487.db2.gz HJWJZDMUYWTBGK-UHFFFAOYSA-N 0 0 418.449 4.200 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000503388881 912371392 /nfs/dbraw/zinc/37/13/92/912371392.db2.gz JXLUZOTYMXBRDJ-KDOFPFPSSA-N 0 0 413.499 4.021 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)CCCC2 ZINC000465261651 878689573 /nfs/dbraw/zinc/68/95/73/878689573.db2.gz CDOVUNAWVUVHCG-UHFFFAOYSA-N 0 0 416.499 4.215 20 5 HIBDRN CO[C@@]1(C)C[C@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1(C)C ZINC000465267135 878697740 /nfs/dbraw/zinc/69/77/40/878697740.db2.gz KJHBWQKSVHWFCZ-BBRMVZONSA-N 0 0 406.426 4.026 20 5 HIBDRN COc1ccc(CNC(=O)N(CCc2cccc(F)c2)C2CCCC2)cc1[N+](=O)[O-] ZINC000465287343 878724879 /nfs/dbraw/zinc/72/48/79/878724879.db2.gz CREOYOMJZDPXMQ-UHFFFAOYSA-N 0 0 415.465 4.439 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Oc1cccc(OC)c1 ZINC000503404635 912385059 /nfs/dbraw/zinc/38/50/59/912385059.db2.gz SZESELMEWTVBOB-CQSZACIVSA-N 0 0 404.488 4.303 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccccc1COCc1ccccc1 ZINC000465551459 879016081 /nfs/dbraw/zinc/01/60/81/879016081.db2.gz UZIKAVLZLRGADX-UHFFFAOYSA-N 0 0 419.481 4.354 20 5 HIBDRN O=C(NCC1(c2ccc(F)cc2)CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465655005 879179600 /nfs/dbraw/zinc/17/96/00/879179600.db2.gz IJLOLCLURUZNTM-UHFFFAOYSA-N 0 0 413.449 4.019 20 5 HIBDRN C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1c(F)cccc1F ZINC000465682927 879229029 /nfs/dbraw/zinc/22/90/29/879229029.db2.gz FRDWKSFGCQHDLH-ZDUSSCGKSA-N 0 0 405.401 4.187 20 5 HIBDRN CC[C@H](NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000465707467 879274133 /nfs/dbraw/zinc/27/41/33/879274133.db2.gz IKGSWAJIUVTFSB-JTQLQIEISA-N 0 0 418.397 4.029 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000465724548 879301059 /nfs/dbraw/zinc/30/10/59/879301059.db2.gz SIDHAMDMHVQVBM-JOKNJTHLSA-N 0 0 403.866 4.453 20 5 HIBDRN COc1ccc(CNC(=O)N(CCc2ccc(C)cc2)Cc2ccco2)cc1[N+](=O)[O-] ZINC000465731073 879313837 /nfs/dbraw/zinc/31/38/37/879313837.db2.gz ZKRQAOSKPMNEGF-UHFFFAOYSA-N 0 0 423.469 4.459 20 5 HIBDRN O=C(NCc1c(F)cccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465777953 879381491 /nfs/dbraw/zinc/38/14/91/879381491.db2.gz HTQHIPDGLSIEME-UHFFFAOYSA-N 0 0 407.829 4.140 20 5 HIBDRN O=C(Nc1ccccc1OCc1cscn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000503451755 912474549 /nfs/dbraw/zinc/47/45/49/912474549.db2.gz XLKAMVGAOFNQNI-UHFFFAOYSA-N 0 0 410.455 4.457 20 5 HIBDRN CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000465984308 879657007 /nfs/dbraw/zinc/65/70/07/879657007.db2.gz DHPHKHAXMRLKSF-OAHLLOKOSA-N 0 0 419.551 4.435 20 5 HIBDRN O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000466068326 879769405 /nfs/dbraw/zinc/76/94/05/879769405.db2.gz YMYUTGGJOMIMLP-CXAGYDPISA-N 0 0 407.373 4.096 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])cc1OCC ZINC000466120923 879834395 /nfs/dbraw/zinc/83/43/95/879834395.db2.gz SXGIIIWCMZZJDE-QGZVFWFLSA-N 0 0 420.491 4.430 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](CC)c2c(C)nn(C)c2C)c([N+](=O)[O-])cc1OCC ZINC000466264476 879995571 /nfs/dbraw/zinc/99/55/71/879995571.db2.gz RBWLUCIUZPOZEW-CQSZACIVSA-N 0 0 419.482 4.015 20 5 HIBDRN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503479111 912520435 /nfs/dbraw/zinc/52/04/35/912520435.db2.gz XWDVOGZAARCVBN-ZDUSSCGKSA-N 0 0 416.421 4.179 20 5 HIBDRN CC(C)Sc1ccc([C@H](C)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000503478812 912520478 /nfs/dbraw/zinc/52/04/78/912520478.db2.gz WJHLQFSMGGDUJK-HNNXBMFYSA-N 0 0 408.545 4.318 20 5 HIBDRN O=C(N[C@H]1CCCc2sccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000466279164 880018964 /nfs/dbraw/zinc/01/89/64/880018964.db2.gz RIPKLUUNFBVDIK-ZDUSSCGKSA-N 0 0 400.378 4.405 20 5 HIBDRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466282983 880023645 /nfs/dbraw/zinc/02/36/45/880023645.db2.gz LERISJJDVQHQBN-UHFFFAOYSA-N 0 0 421.240 4.201 20 5 HIBDRN O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466297590 880044975 /nfs/dbraw/zinc/04/49/75/880044975.db2.gz LZJOINRHJVRRNH-UHFFFAOYSA-N 0 0 410.357 4.294 20 5 HIBDRN O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466298848 880046549 /nfs/dbraw/zinc/04/65/49/880046549.db2.gz OLFTTYBGEGFSRD-UHFFFAOYSA-N 0 0 405.385 4.189 20 5 HIBDRN O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466322795 880077670 /nfs/dbraw/zinc/07/76/70/880077670.db2.gz RHGOMZDGHIAGFF-UHFFFAOYSA-N 0 0 411.364 4.055 20 5 HIBDRN COC(=O)c1ccc(CSCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 ZINC000466358348 880117009 /nfs/dbraw/zinc/11/70/09/880117009.db2.gz BFPWVLVTOJQDMW-UHFFFAOYSA-N 0 0 419.427 4.486 20 5 HIBDRN Cc1cc(CNCc2ccc([N+](=O)[O-])cc2Cl)ccc1I ZINC000466362489 880120251 /nfs/dbraw/zinc/12/02/51/880120251.db2.gz BBMDUVJOAHUXEF-UHFFFAOYSA-N 0 0 416.646 4.451 20 5 HIBDRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])n2)c(F)c1 ZINC000466398360 880162881 /nfs/dbraw/zinc/16/28/81/880162881.db2.gz WYMQPILKTJWNNV-UHFFFAOYSA-N 0 0 418.381 4.207 20 5 HIBDRN O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466403465 880168412 /nfs/dbraw/zinc/16/84/12/880168412.db2.gz FNYMOHSAOPSNFN-UHFFFAOYSA-N 0 0 401.297 4.495 20 5 HIBDRN CCOC(=O)CN(C)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466422375 880194971 /nfs/dbraw/zinc/19/49/71/880194971.db2.gz LHJMFKGBYCJTHE-UHFFFAOYSA-N 0 0 408.863 4.035 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H]2C[C@H](OCC)C23CCCC3)c([N+](=O)[O-])cc1OCC ZINC000466430614 880207042 /nfs/dbraw/zinc/20/70/42/880207042.db2.gz JRGWKZXEVMVVAE-OALUTQOASA-N 0 0 421.494 4.252 20 5 HIBDRN CCC(CC)(NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(N)=O ZINC000466435646 880210653 /nfs/dbraw/zinc/21/06/53/880210653.db2.gz WHVGVJDFMBLHRC-UHFFFAOYSA-N 0 0 421.906 4.173 20 5 HIBDRN COc1cccc(-c2noc([C@@H](C)NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)c1 ZINC000466463686 880245445 /nfs/dbraw/zinc/24/54/45/880245445.db2.gz ILMDXBBDRSFLBF-SNVBAGLBSA-N 0 0 417.809 4.190 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000466499773 880275394 /nfs/dbraw/zinc/27/53/94/880275394.db2.gz NZQSAAGFVTUHFX-UHFFFAOYSA-N 0 0 406.851 4.361 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000466506583 880282267 /nfs/dbraw/zinc/28/22/67/880282267.db2.gz RYBXSXNCUIDTQA-UHFFFAOYSA-N 0 0 405.248 4.426 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCC1 ZINC000466517317 880291956 /nfs/dbraw/zinc/29/19/56/880291956.db2.gz VFBXSKZEQHWDLR-UHFFFAOYSA-N 0 0 400.431 4.071 20 5 HIBDRN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2C)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000466618542 880388865 /nfs/dbraw/zinc/38/88/65/880388865.db2.gz MILMRMNORQZVTB-UHFFFAOYSA-N 0 0 422.466 4.472 20 5 HIBDRN COC(=O)c1cccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c1OC(C)C ZINC000466655079 880433788 /nfs/dbraw/zinc/43/37/88/880433788.db2.gz DDFCFHFTUDYILF-UHFFFAOYSA-N 0 0 404.444 4.143 20 5 HIBDRN COc1cc(C(=O)NCC2(OC)CCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000503523030 912572550 /nfs/dbraw/zinc/57/25/50/912572550.db2.gz YEADSMGGRDMNCJ-UHFFFAOYSA-N 0 0 420.849 4.348 20 5 HIBDRN C[C@@H]1CC[C@@H](C)N1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000466772046 880552453 /nfs/dbraw/zinc/55/24/53/880552453.db2.gz SHOMGJNPCWDVOC-IAGOWNOFSA-N 0 0 404.470 4.389 20 5 HIBDRN C[C@]1(c2ccccc2)CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000503527975 912580799 /nfs/dbraw/zinc/58/07/99/912580799.db2.gz QKESHFOOEGWVQK-QFIPXVFZSA-N 0 0 407.474 4.125 20 5 HIBDRN COCC[C@H]1CCCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000466841684 880610217 /nfs/dbraw/zinc/61/02/17/880610217.db2.gz NHHRKWFGERHNFG-CEXWTWQISA-N 0 0 417.550 4.356 20 5 HIBDRN COCc1ccc([C@H]2CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000466851390 880621676 /nfs/dbraw/zinc/62/16/76/880621676.db2.gz IGERJUZZPWRKHS-CQSZACIVSA-N 0 0 410.879 4.443 20 5 HIBDRN COc1ccc(N(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Cl ZINC000466871965 880639446 /nfs/dbraw/zinc/63/94/46/880639446.db2.gz JOJMONUVUOQHQG-UHFFFAOYSA-N 0 0 406.869 4.480 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H](OC)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000467011246 880816188 /nfs/dbraw/zinc/81/61/88/880816188.db2.gz UMKFYSLBOPLBDL-LJQANCHMSA-N 0 0 414.458 4.085 20 5 HIBDRN CO[C@@H](CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])C(C)C ZINC000467018086 880819951 /nfs/dbraw/zinc/81/99/51/880819951.db2.gz DFZZHRNKRZGCLY-FQEVSTJZSA-N 0 0 421.519 4.095 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1Cl ZINC000467022201 880824205 /nfs/dbraw/zinc/82/42/05/880824205.db2.gz HWFNBDFNSBHHCB-UHFFFAOYSA-N 0 0 421.906 4.031 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000467069805 880850049 /nfs/dbraw/zinc/85/00/49/880850049.db2.gz MDDQSBDJOTXWHE-GFCCVEGCSA-N 0 0 420.434 4.162 20 5 HIBDRN Cc1sc(S(=O)(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000467092361 880857288 /nfs/dbraw/zinc/85/72/88/880857288.db2.gz SLVALWWSUAVUKZ-LBPRGKRZSA-N 0 0 403.485 4.066 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000467099139 880861733 /nfs/dbraw/zinc/86/17/33/880861733.db2.gz AGYIBVABNMHLCR-UHFFFAOYSA-N 0 0 403.236 4.469 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000512371352 921112673 /nfs/dbraw/zinc/11/26/73/921112673.db2.gz HBOZZPUWQIBVNC-GOSISDBHSA-N 0 0 414.330 4.393 20 5 HIBDRN CSc1nc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n[nH]1 ZINC000467123408 880878504 /nfs/dbraw/zinc/87/85/04/880878504.db2.gz YHUINSVZFRQDJK-UHFFFAOYSA-N 0 0 421.891 4.492 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000467150195 880887868 /nfs/dbraw/zinc/88/78/68/880887868.db2.gz HFKMCHPNQQPUEJ-QGZVFWFLSA-N 0 0 405.838 4.128 20 5 HIBDRN O=C(NCCCCc1ccc(Cl)s1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000503551838 912618285 /nfs/dbraw/zinc/61/82/85/912618285.db2.gz PCHWGLRRKZNITG-UHFFFAOYSA-N 0 0 407.883 4.008 20 5 HIBDRN Cc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(OC[C@H]2CCCO2)c1 ZINC000467173515 880900157 /nfs/dbraw/zinc/90/01/57/880900157.db2.gz QESXLKJFCMKELL-MRXNPFEDSA-N 0 0 419.865 4.436 20 5 HIBDRN C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000467212773 880942508 /nfs/dbraw/zinc/94/25/08/880942508.db2.gz AHEGCMUFYVXZFR-GFCCVEGCSA-N 0 0 416.865 4.157 20 5 HIBDRN C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000467212774 880942583 /nfs/dbraw/zinc/94/25/83/880942583.db2.gz AHEGCMUFYVXZFR-LBPRGKRZSA-N 0 0 416.865 4.157 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000467212827 880942598 /nfs/dbraw/zinc/94/25/98/880942598.db2.gz AQNKILRULIDCKU-KUHUBIRLSA-N 0 0 403.866 4.215 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000467214623 880944406 /nfs/dbraw/zinc/94/44/06/880944406.db2.gz QLNUXTCSSSFXSZ-SFHVURJKSA-N 0 0 424.284 4.227 20 5 HIBDRN C[C@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](c2ccc(F)cc2)O1 ZINC000467219180 880948450 /nfs/dbraw/zinc/94/84/50/880948450.db2.gz SFDBWMXEMKBLID-SGTLLEGYSA-N 0 0 407.829 4.059 20 5 HIBDRN CO[C@@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@@H]1C ZINC000467302604 881051354 /nfs/dbraw/zinc/05/13/54/881051354.db2.gz JFWCGFSLGHUIPP-VHKYSDTDSA-N 0 0 417.893 4.285 20 5 HIBDRN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000503561312 912636923 /nfs/dbraw/zinc/63/69/23/912636923.db2.gz AJKRFKJTRQMMJA-XXFAHNHDSA-N 0 0 413.327 4.074 20 5 HIBDRN CCOC(=O)CCc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000467389314 881172148 /nfs/dbraw/zinc/17/21/48/881172148.db2.gz QCGKCOLPDQKEPO-UHFFFAOYSA-N 0 0 405.838 4.066 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)cc1[N+](=O)[O-] ZINC000467430731 881225360 /nfs/dbraw/zinc/22/53/60/881225360.db2.gz WVEYXZCETVWWBL-OAHLLOKOSA-N 0 0 419.503 4.091 20 5 HIBDRN Cn1cc([C@H](Nc2ccc([N+](=O)[O-])cc2Br)c2ccc(F)cc2)cn1 ZINC000503576595 912659589 /nfs/dbraw/zinc/65/95/89/912659589.db2.gz QVDCHFVVCIPSNB-QGZVFWFLSA-N 0 0 405.227 4.431 20 5 HIBDRN Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000467452725 881258037 /nfs/dbraw/zinc/25/80/37/881258037.db2.gz CBZJQSFSYHGHQB-KBPBESRZSA-N 0 0 401.444 4.190 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3ccc(F)cn3)CC2)s1 ZINC000469062264 883137221 /nfs/dbraw/zinc/13/72/21/883137221.db2.gz VSXWNUXGTMJNAY-UHFFFAOYSA-N 0 0 412.490 4.175 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CC(C)C)c1ccccc1C ZINC000469076626 883161377 /nfs/dbraw/zinc/16/13/77/883161377.db2.gz XMFJKKDTDZNLPV-ZWKOTPCHSA-N 0 0 401.511 4.039 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](C)[C@@H](n4ccnc4)C3)c([N+](=O)[O-])c2)cc1 ZINC000469137288 883234125 /nfs/dbraw/zinc/23/41/25/883234125.db2.gz ZZUNORVUYDVFLS-VGSWGCGISA-N 0 0 419.485 4.440 20 5 HIBDRN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000469142294 883238896 /nfs/dbraw/zinc/23/88/96/883238896.db2.gz ZFDCVGXSAZTRAP-INIZCTEOSA-N 0 0 418.375 4.478 20 5 HIBDRN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000469200909 883301562 /nfs/dbraw/zinc/30/15/62/883301562.db2.gz RBRSHFFKPDEYHP-UHFFFAOYSA-N 0 0 412.833 4.210 20 5 HIBDRN CCc1ccc([C@H](NCc2ccc(S(C)(=O)=O)s2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000469284849 883382363 /nfs/dbraw/zinc/38/23/63/883382363.db2.gz UAHVDGDKRCIILC-LJQANCHMSA-N 0 0 420.512 4.094 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(OC(C)(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000469298905 883398091 /nfs/dbraw/zinc/39/80/91/883398091.db2.gz XFNCLVFFKSTGKW-IAGOWNOFSA-N 0 0 417.550 4.497 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000469339702 883453918 /nfs/dbraw/zinc/45/39/18/883453918.db2.gz KWUZUHDWFLVZRP-MRXNPFEDSA-N 0 0 422.510 4.365 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000469343580 883459481 /nfs/dbraw/zinc/45/94/81/883459481.db2.gz OMUJRTSLSRYHHT-IBGZPJMESA-N 0 0 403.866 4.040 20 5 HIBDRN COc1ccc(CNC(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000469394382 883552250 /nfs/dbraw/zinc/55/22/50/883552250.db2.gz YVXDMYXBGNBKNU-UHFFFAOYSA-N 0 0 419.428 4.046 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)C2 ZINC000469455693 883664265 /nfs/dbraw/zinc/66/42/65/883664265.db2.gz XTNWLIFZUKUKOF-QFIPXVFZSA-N 0 0 418.449 4.308 20 5 HIBDRN COc1cc(C(=O)NC[C@@H](Cc2ccccc2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000469521246 883787972 /nfs/dbraw/zinc/78/79/72/883787972.db2.gz XYKNQUOQCGGONN-OAHLLOKOSA-N 0 0 422.428 4.450 20 5 HIBDRN CN(C)c1ncc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 ZINC000503648518 912753197 /nfs/dbraw/zinc/75/31/97/912753197.db2.gz PFNCVEOXVQWBEZ-UHFFFAOYSA-N 0 0 413.821 4.149 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000503665094 912769900 /nfs/dbraw/zinc/76/99/00/912769900.db2.gz COYUIYNQDUEMJC-ZDUSSCGKSA-N 0 0 418.375 4.160 20 5 HIBDRN Cc1ccn(-c2ccccc2NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000469850043 884033563 /nfs/dbraw/zinc/03/35/63/884033563.db2.gz GLGTYNHZHYIUJT-UHFFFAOYSA-N 0 0 421.457 4.164 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cc(-c2nc(C)co2)ccc1C ZINC000469879972 884069700 /nfs/dbraw/zinc/06/97/00/884069700.db2.gz IDOKSEPMWXBESP-AWEZNQCLSA-N 0 0 410.430 4.314 20 5 HIBDRN COc1cc(C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc([N+](=O)[O-])c1C ZINC000469888226 884079186 /nfs/dbraw/zinc/07/91/86/884079186.db2.gz JSIVEXROAPNLEV-UHFFFAOYSA-N 0 0 402.407 4.130 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000469898287 884089524 /nfs/dbraw/zinc/08/95/24/884089524.db2.gz PKQIRINPIOTYFE-UHFFFAOYSA-N 0 0 424.360 4.415 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000469934931 884129625 /nfs/dbraw/zinc/12/96/25/884129625.db2.gz ZCFKHAOGHNJKPX-PXAZEXFGSA-N 0 0 410.396 4.480 20 5 HIBDRN C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000469954795 884157778 /nfs/dbraw/zinc/15/77/78/884157778.db2.gz YHERJAIFEGUUAA-HUUCEWRRSA-N 0 0 422.441 4.147 20 5 HIBDRN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc(OC(F)(F)F)c1 ZINC000470012952 884229979 /nfs/dbraw/zinc/22/99/79/884229979.db2.gz LBWRZQQVKAHLDU-UHFFFAOYSA-N 0 0 417.771 4.217 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc([N+](=O)[O-])c1OC ZINC000470020564 884236953 /nfs/dbraw/zinc/23/69/53/884236953.db2.gz YTTIMTLAZNQEOF-CQSZACIVSA-N 0 0 407.426 4.165 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1sc2c(c1C(=O)c1cccnc1)CCC2 ZINC000470041642 884282472 /nfs/dbraw/zinc/28/24/72/884282472.db2.gz KYSRTTBAXYOXNO-UHFFFAOYSA-N 0 0 421.478 4.342 20 5 HIBDRN CCOC(=O)c1ccnc(NCc2cn(-c3ccccc3)nc2C(C)C)c1[N+](=O)[O-] ZINC000470051563 884298436 /nfs/dbraw/zinc/29/84/36/884298436.db2.gz SLPXJLATMSZXIF-UHFFFAOYSA-N 0 0 409.446 4.088 20 5 HIBDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000470101095 884359143 /nfs/dbraw/zinc/35/91/43/884359143.db2.gz GJQJJWYUGKEIOR-SFHVURJKSA-N 0 0 402.416 4.344 20 5 HIBDRN CCOc1cc(NC(=O)NCc2nc3ccccc3s2)c([N+](=O)[O-])cc1OCC ZINC000503756856 912816655 /nfs/dbraw/zinc/81/66/55/912816655.db2.gz JWHGHDBIQBGLDB-UHFFFAOYSA-N 0 0 416.459 4.324 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000470117840 884377692 /nfs/dbraw/zinc/37/76/92/884377692.db2.gz QHQSCMTVWXNDLQ-UHFFFAOYSA-N 0 0 416.236 4.457 20 5 HIBDRN O=C(Nc1cccc(OCCF)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000470120980 884382138 /nfs/dbraw/zinc/38/21/38/884382138.db2.gz OAOWELNXECGDDL-UHFFFAOYSA-N 0 0 402.300 4.137 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccccc2Br)c1 ZINC000470162976 884437547 /nfs/dbraw/zinc/43/75/47/884437547.db2.gz MRIQJADCFBSSRN-LLVKDONJSA-N 0 0 409.305 4.440 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000470176132 884459148 /nfs/dbraw/zinc/45/91/48/884459148.db2.gz ILBLIIAEYVVVPR-LGMDPLHJSA-N 0 0 413.905 4.500 20 5 HIBDRN C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000470187097 884477607 /nfs/dbraw/zinc/47/76/07/884477607.db2.gz FHZLAJBDRZSRTM-INIZCTEOSA-N 0 0 413.437 4.334 20 5 HIBDRN C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2ccncc2)cc1 ZINC000470187487 884481397 /nfs/dbraw/zinc/48/13/97/884481397.db2.gz GZCGOMCJGCYMTI-INIZCTEOSA-N 0 0 413.437 4.334 20 5 HIBDRN C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-c2ccncc2)cc1 ZINC000470190748 884488808 /nfs/dbraw/zinc/48/88/08/884488808.db2.gz PGHYXALMQBUUBN-CQSZACIVSA-N 0 0 414.421 4.402 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000470196057 884502908 /nfs/dbraw/zinc/50/29/08/884502908.db2.gz WYHBOLGBNTWMRF-XNJGSVPQSA-N 0 0 400.460 4.229 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000470196054 884503650 /nfs/dbraw/zinc/50/36/50/884503650.db2.gz WYHBOLGBNTWMRF-IGCXYCKISA-N 0 0 400.460 4.229 20 5 HIBDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000470197409 884505894 /nfs/dbraw/zinc/50/58/94/884505894.db2.gz ZWBSAMRLTIPOTG-AWEZNQCLSA-N 0 0 414.462 4.406 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000470204878 884520242 /nfs/dbraw/zinc/52/02/42/884520242.db2.gz BOZXSHMKYZLRDG-FXAWDEMLSA-N 0 0 404.470 4.436 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000470244122 884575748 /nfs/dbraw/zinc/57/57/48/884575748.db2.gz USAZHYUHWCFKHM-DYESRHJHSA-N 0 0 418.877 4.362 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000503847918 912840197 /nfs/dbraw/zinc/84/01/97/912840197.db2.gz RZVOXOMBQMSTAH-CYBMUJFWSA-N 0 0 406.841 4.393 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCO[C@]3(CCOC3)C2)ccc1Oc1ccccc1Cl ZINC000470330918 884713926 /nfs/dbraw/zinc/71/39/26/884713926.db2.gz SHRCMEOUDHWZBS-HXUWFJFHSA-N 0 0 404.850 4.032 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000470384618 884785782 /nfs/dbraw/zinc/78/57/82/884785782.db2.gz WMSSWQQDTGBKCD-LBPRGKRZSA-N 0 0 410.879 4.393 20 5 HIBDRN COc1ccc(NC(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000470420562 884822878 /nfs/dbraw/zinc/82/28/78/884822878.db2.gz XQZBFHYNPPNWOF-UHFFFAOYSA-N 0 0 413.352 4.165 20 5 HIBDRN C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000470420574 884823265 /nfs/dbraw/zinc/82/32/65/884823265.db2.gz XTIHWBBXJSORLU-KRWDZBQOSA-N 0 0 418.497 4.158 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC(Oc3ncccc3F)CC2)cc1[N+](=O)[O-] ZINC000470463286 884857681 /nfs/dbraw/zinc/85/76/81/884857681.db2.gz ITNUZYOULCRWAJ-UHFFFAOYSA-N 0 0 401.438 4.110 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000470494990 884881752 /nfs/dbraw/zinc/88/17/52/884881752.db2.gz AQRMDOWNEQKUTI-ZDUSSCGKSA-N 0 0 407.854 4.326 20 5 HIBDRN Cc1cccc(CN(Cc2ccco2)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000470499571 884887627 /nfs/dbraw/zinc/88/76/27/884887627.db2.gz WVVLBQNKLKWVJU-UHFFFAOYSA-N 0 0 400.456 4.107 20 5 HIBDRN C[C@@H](C(=O)NCc1ccnc(Oc2ccccc2F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000470525850 884919841 /nfs/dbraw/zinc/91/98/41/884919841.db2.gz LSKJQPVXCFQCFK-CYBMUJFWSA-N 0 0 413.380 4.480 20 5 HIBDRN COc1ccc([C@H](NCc2c([N+](=O)[O-])ncn2C)c2ccccc2Cl)c(C)c1 ZINC000470533405 884932216 /nfs/dbraw/zinc/93/22/16/884932216.db2.gz TUCKULFWBDGJRM-IBGZPJMESA-N 0 0 400.866 4.178 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc4c3OCCC4=O)cc2[N+](=O)[O-])C1 ZINC000503953867 912881137 /nfs/dbraw/zinc/88/11/37/912881137.db2.gz WEDDPMYCIRGFCX-HUUCEWRRSA-N 0 0 423.469 4.295 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000470587198 885003448 /nfs/dbraw/zinc/00/34/48/885003448.db2.gz GOSFZRQXYOZFTN-UHFFFAOYSA-N 0 0 424.407 4.378 20 5 HIBDRN COc1cc(C(=O)N2CCC(C)(c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1OC ZINC000470681067 885111856 /nfs/dbraw/zinc/11/18/56/885111856.db2.gz DCOSTIPVQSGRIC-UHFFFAOYSA-N 0 0 418.877 4.459 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000470702262 885142116 /nfs/dbraw/zinc/14/21/16/885142116.db2.gz YJJQUBNGEOIXQB-UHFFFAOYSA-N 0 0 412.274 4.330 20 5 HIBDRN C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@@H](c2ccsc2)O1 ZINC000470742802 885204393 /nfs/dbraw/zinc/20/43/93/885204393.db2.gz AUSNGHMBPJKJSY-ZHRRBRCNSA-N 0 0 418.518 4.205 20 5 HIBDRN COc1cc(C(=O)N(c2ccccc2)C2Cc3ccccc3C2)cc([N+](=O)[O-])c1OC ZINC000470779250 885251623 /nfs/dbraw/zinc/25/16/23/885251623.db2.gz LWNIKWQYLJKYTG-UHFFFAOYSA-N 0 0 418.449 4.426 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1cccs1)CC(F)(F)F ZINC000470784339 885259269 /nfs/dbraw/zinc/25/92/69/885259269.db2.gz PFVFPUZTPBVVQE-UHFFFAOYSA-N 0 0 413.421 4.461 20 5 HIBDRN CCCOc1ccc([C@@H](C)NC(=O)c2c(OCC)cccc2[N+](=O)[O-])cc1OC ZINC000470830633 885320066 /nfs/dbraw/zinc/32/00/66/885320066.db2.gz IYDVKPQLQRXQDD-CQSZACIVSA-N 0 0 402.447 4.282 20 5 HIBDRN O=C(CSc1nnc(C2CC2)s1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000470850650 885348584 /nfs/dbraw/zinc/34/85/84/885348584.db2.gz GOWMPTZGRWVNMQ-UHFFFAOYSA-N 0 0 404.395 4.073 20 5 HIBDRN CC[C@@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000470867588 885356182 /nfs/dbraw/zinc/35/61/82/885356182.db2.gz XVDBIENLLXQQEG-GOSISDBHSA-N 0 0 419.503 4.013 20 5 HIBDRN CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470880096 885371196 /nfs/dbraw/zinc/37/11/96/885371196.db2.gz NBPNTLXHWSGJEX-MRXNPFEDSA-N 0 0 422.485 4.385 20 5 HIBDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000470891065 885387436 /nfs/dbraw/zinc/38/74/36/885387436.db2.gz XRYIIWOYQSVHCP-UHFFFAOYSA-N 0 0 416.425 4.234 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000470931700 885436469 /nfs/dbraw/zinc/43/64/69/885436469.db2.gz LNIVOFAZJXALQL-UGSOOPFHSA-N 0 0 404.850 4.249 20 5 HIBDRN Cn1nc(C(F)F)c2cc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)sc21 ZINC000470966826 885467181 /nfs/dbraw/zinc/46/71/81/885467181.db2.gz KZTQBSGOQVXMGZ-MRXNPFEDSA-N 0 0 424.454 4.368 20 5 HIBDRN O=C(CSCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000470968639 885469540 /nfs/dbraw/zinc/46/95/40/885469540.db2.gz RRZZKEPAQOTYKX-UHFFFAOYSA-N 0 0 418.902 4.355 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000471036360 885545356 /nfs/dbraw/zinc/54/53/56/885545356.db2.gz ZFUMEDMQNPLGSP-XMSQKQJNSA-N 0 0 424.501 4.102 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(F)c(F)cc1Br ZINC000471047117 885559469 /nfs/dbraw/zinc/55/94/69/885559469.db2.gz KUSDEYHXIOSMBK-UHFFFAOYSA-N 0 0 401.163 4.287 20 5 HIBDRN Cc1nc(N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000471060914 885575637 /nfs/dbraw/zinc/57/56/37/885575637.db2.gz GAPFVTYMQOJPNW-UHFFFAOYSA-N 0 0 409.273 4.460 20 5 HIBDRN Cc1ccc([C@@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccn2)cc1 ZINC000471081406 885607687 /nfs/dbraw/zinc/60/76/87/885607687.db2.gz PABQNAUZVJGGDK-OAQYLSRUSA-N 0 0 401.426 4.227 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000471097652 885628325 /nfs/dbraw/zinc/62/83/25/885628325.db2.gz HJKVXMZJQVYZOU-UHFFFAOYSA-N 0 0 401.163 4.287 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000471150373 885697385 /nfs/dbraw/zinc/69/73/85/885697385.db2.gz FBZUGBBJCNIXFH-UGSOOPFHSA-N 0 0 404.850 4.249 20 5 HIBDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471218939 885793806 /nfs/dbraw/zinc/79/38/06/885793806.db2.gz FTWFZTDEPNHVJL-CYBMUJFWSA-N 0 0 401.850 4.132 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCOCC2)c1 ZINC000504071788 912973956 /nfs/dbraw/zinc/97/39/56/912973956.db2.gz CGIPVSXCILVMPR-UHFFFAOYSA-N 0 0 415.515 4.181 20 5 HIBDRN Cc1ncsc1-c1nc(CSc2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000471253965 885832314 /nfs/dbraw/zinc/83/23/14/885832314.db2.gz ZXBGGVGXZSTULL-UHFFFAOYSA-N 0 0 413.278 4.465 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000504074605 912978594 /nfs/dbraw/zinc/97/85/94/912978594.db2.gz JJVUIDUGVVGUEJ-UHFFFAOYSA-N 0 0 401.488 4.487 20 5 HIBDRN CCc1ccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1[N+](=O)[O-] ZINC000471282494 885863351 /nfs/dbraw/zinc/86/33/51/885863351.db2.gz KHVVLMMNPLAWKT-UHFFFAOYSA-N 0 0 410.455 4.491 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)COc2c(Cl)cccc2[N+](=O)[O-])cc1OC ZINC000471286335 885869717 /nfs/dbraw/zinc/86/97/17/885869717.db2.gz IMLGTGCENSYVQL-HNNXBMFYSA-N 0 0 420.849 4.008 20 5 HIBDRN Cc1cccnc1N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000471295093 885881595 /nfs/dbraw/zinc/88/15/95/885881595.db2.gz GKXQHAXCPWCLEO-UHFFFAOYSA-N 0 0 422.407 4.196 20 5 HIBDRN COCCCC[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1 ZINC000471326204 885920753 /nfs/dbraw/zinc/92/07/53/885920753.db2.gz DENKOXFALRFFEH-GOSISDBHSA-N 0 0 408.458 4.068 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000471331617 885930977 /nfs/dbraw/zinc/93/09/77/885930977.db2.gz WURJXBAFCMWPQX-KRWDZBQOSA-N 0 0 410.396 4.344 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)cc1OC ZINC000471379458 886026152 /nfs/dbraw/zinc/02/61/52/886026152.db2.gz IQCKMWIIKBUEGI-JOCHJYFZSA-N 0 0 421.453 4.225 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000471386560 886033666 /nfs/dbraw/zinc/03/36/66/886033666.db2.gz UTYFEROZYANLMI-GFCCVEGCSA-N 0 0 416.359 4.391 20 5 HIBDRN Cc1nnc(-c2cc(F)ccc2NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000471387321 886036160 /nfs/dbraw/zinc/03/61/60/886036160.db2.gz CWOQREQPWPVYKY-UHFFFAOYSA-N 0 0 410.283 4.363 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(F)cc1OCC(F)(F)F ZINC000504090292 913000639 /nfs/dbraw/zinc/00/06/39/913000639.db2.gz BCZJJSAAGSHFFG-UHFFFAOYSA-N 0 0 401.316 4.034 20 5 HIBDRN CC(C)Cc1ncc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 ZINC000471437852 886098795 /nfs/dbraw/zinc/09/87/95/886098795.db2.gz VOLQFYSDRXBHNR-OAHLLOKOSA-N 0 0 420.473 4.404 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000471475945 886169172 /nfs/dbraw/zinc/16/91/72/886169172.db2.gz LLPWUKIBYJJEOR-HIFRSBDPSA-N 0 0 420.412 4.298 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000471526711 886229872 /nfs/dbraw/zinc/22/98/72/886229872.db2.gz GZAGTTAGYXMAJZ-HOCLYGCPSA-N 0 0 402.422 4.207 20 5 HIBDRN Cn1cc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000471552516 886261230 /nfs/dbraw/zinc/26/12/30/886261230.db2.gz SRFDKGCNJGQOKT-SJLPKXTDSA-N 0 0 408.433 4.201 20 5 HIBDRN COC(=O)c1sc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)nc1C(C)(C)C ZINC000471562655 886271099 /nfs/dbraw/zinc/27/10/99/886271099.db2.gz JRLWPHQHTAFRSJ-UHFFFAOYSA-N 0 0 409.489 4.110 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)OC(C)C ZINC000471573424 886284080 /nfs/dbraw/zinc/28/40/80/886284080.db2.gz IEBRUFOYJKLJNE-LJQANCHMSA-N 0 0 406.866 4.082 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)s1 ZINC000471631070 886348000 /nfs/dbraw/zinc/34/80/00/886348000.db2.gz DFELQHZQIXORFH-UHFFFAOYSA-N 0 0 401.423 4.191 20 5 HIBDRN Cc1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1S(=O)(=O)N(C)C ZINC000512375406 921114312 /nfs/dbraw/zinc/11/43/12/921114312.db2.gz RITPBKIGOUYHTE-UHFFFAOYSA-N 0 0 415.471 4.026 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CC[C@H](OC)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471679907 886388379 /nfs/dbraw/zinc/38/83/79/886388379.db2.gz QQNJQZKCIJOFJP-GJZGRUSLSA-N 0 0 420.849 4.346 20 5 HIBDRN Cn1cc(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c2ccc(F)cc21 ZINC000471705369 886414284 /nfs/dbraw/zinc/41/42/84/886414284.db2.gz JIIAQCVGGSHFAL-UHFFFAOYSA-N 0 0 401.413 4.001 20 5 HIBDRN C[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(C)(C)C1 ZINC000471712352 886421603 /nfs/dbraw/zinc/42/16/03/886421603.db2.gz CPATYZBDYIBLII-ZDUSSCGKSA-N 0 0 413.440 4.477 20 5 HIBDRN Cc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000471733361 886451968 /nfs/dbraw/zinc/45/19/68/886451968.db2.gz ALEVQEDDDQAFJA-UHFFFAOYSA-N 0 0 418.375 4.294 20 5 HIBDRN Cc1c(I)cccc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000471777919 886511115 /nfs/dbraw/zinc/51/11/15/886511115.db2.gz CEUWQLZZYNPFOC-UHFFFAOYSA-N 0 0 422.222 4.101 20 5 HIBDRN CC[C@@H](C)n1c(Sc2ccc(C(=O)NC)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000504165879 913054393 /nfs/dbraw/zinc/05/43/93/913054393.db2.gz PFBHFUDKQGYFOE-CYBMUJFWSA-N 0 0 411.487 4.335 20 5 HIBDRN CC(=O)Nc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1 ZINC000471907144 886690155 /nfs/dbraw/zinc/69/01/55/886690155.db2.gz NICDCDGTFPNDGU-UHFFFAOYSA-N 0 0 409.364 4.237 20 5 HIBDRN CCN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471928949 886720472 /nfs/dbraw/zinc/72/04/72/886720472.db2.gz TWTUPJBOLXZHMT-IEBWSBKVSA-N 0 0 422.407 4.278 20 5 HIBDRN CCc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[N+](=O)[O-] ZINC000471978448 886807823 /nfs/dbraw/zinc/80/78/23/886807823.db2.gz OJTKECBEVBDBBW-QGZVFWFLSA-N 0 0 424.432 4.366 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000471982124 886810008 /nfs/dbraw/zinc/81/00/08/886810008.db2.gz ADTVPXIPSMFAPX-OLZOCXBDSA-N 0 0 413.409 4.214 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CC[C@@H](COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504201417 913082874 /nfs/dbraw/zinc/08/28/74/913082874.db2.gz JDOHBKFRIUIAQH-CQSZACIVSA-N 0 0 419.275 4.207 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000471989192 886816039 /nfs/dbraw/zinc/81/60/39/886816039.db2.gz RVUDWSMHTJYJCZ-LPHOPBHVSA-N 0 0 404.417 4.057 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000471991801 886818336 /nfs/dbraw/zinc/81/83/36/886818336.db2.gz KRYZISALNSZHBI-UHFFFAOYSA-N 0 0 417.878 4.343 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC=C(c2c(F)cccc2F)CC1 ZINC000472021246 886844019 /nfs/dbraw/zinc/84/40/19/886844019.db2.gz JVUAOUNEPVPJLX-UHFFFAOYSA-N 0 0 410.323 4.404 20 5 HIBDRN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000472074857 886878227 /nfs/dbraw/zinc/87/82/27/886878227.db2.gz POGFNEGIJCFHCZ-SFHVURJKSA-N 0 0 407.902 4.264 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCSC[C@H]1c1nccs1 ZINC000472112850 886898870 /nfs/dbraw/zinc/89/88/70/886898870.db2.gz MHOGPOWJFUPFFH-LBPRGKRZSA-N 0 0 403.407 4.000 20 5 HIBDRN COCCC1(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CCC1 ZINC000472181840 886982457 /nfs/dbraw/zinc/98/24/57/886982457.db2.gz JPDIFIAVCBYGBA-IAGOWNOFSA-N 0 0 403.523 4.014 20 5 HIBDRN COc1cc(CCNC(=O)N[C@H](CC(C)C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000504228823 913100776 /nfs/dbraw/zinc/10/07/76/913100776.db2.gz TWQPIXDKUVYPMU-GOSISDBHSA-N 0 0 415.490 4.241 20 5 HIBDRN COc1cc(CCNC(=O)N[C@@H](CC(C)C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000504228824 913100848 /nfs/dbraw/zinc/10/08/48/913100848.db2.gz TWQPIXDKUVYPMU-SFHVURJKSA-N 0 0 415.490 4.241 20 5 HIBDRN COCCC1(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000472190911 886990220 /nfs/dbraw/zinc/99/02/20/886990220.db2.gz PBPLGVRLJIHSIB-UHFFFAOYSA-N 0 0 406.426 4.029 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(CC)cc3)no2)cc1[N+](=O)[O-] ZINC000472405360 887254446 /nfs/dbraw/zinc/25/44/46/887254446.db2.gz HPBDHPDVSVSNDJ-CYBMUJFWSA-N 0 0 410.430 4.097 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000472466030 887325680 /nfs/dbraw/zinc/32/56/80/887325680.db2.gz NHJDTWLFCGGOEM-QMMMGPOBSA-N 0 0 422.816 4.183 20 5 HIBDRN COc1ccccc1[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])OC(C)C ZINC000472474239 887334859 /nfs/dbraw/zinc/33/48/59/887334859.db2.gz BQQLXKZKVZJKDS-NRFANRHFSA-N 0 0 413.474 4.074 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CC=C(c3c(F)cccc3F)CC2)c([N+](=O)[O-])c1 ZINC000472498728 887367188 /nfs/dbraw/zinc/36/71/88/887367188.db2.gz KZYSBUKOIZCOHV-UHFFFAOYSA-N 0 0 424.407 4.131 20 5 HIBDRN Cc1cc(N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000472508026 887375129 /nfs/dbraw/zinc/37/51/29/887375129.db2.gz YYORVURMJSYFNF-MRXNPFEDSA-N 0 0 418.432 4.276 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000472511781 887380529 /nfs/dbraw/zinc/38/05/29/887380529.db2.gz ATFWGDHHWXSERA-UHFFFAOYSA-N 0 0 409.442 4.315 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCCc2c(F)ccc(F)c21 ZINC000472547805 887429263 /nfs/dbraw/zinc/42/92/63/887429263.db2.gz DRODRVWAKWUDPR-UHFFFAOYSA-N 0 0 416.302 4.407 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472560923 887446557 /nfs/dbraw/zinc/44/65/57/887446557.db2.gz DJJMVXTYEQQRIQ-SECBINFHSA-N 0 0 414.220 4.199 20 5 HIBDRN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472571829 887458481 /nfs/dbraw/zinc/45/84/81/887458481.db2.gz SOXSKGBTFDKVIR-UHFFFAOYSA-N 0 0 414.220 4.028 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000472587342 887465350 /nfs/dbraw/zinc/46/53/50/887465350.db2.gz UNASVUBHVHHAEL-UHFFFAOYSA-N 0 0 417.874 4.180 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1F ZINC000472604271 887474599 /nfs/dbraw/zinc/47/45/99/887474599.db2.gz YSKUQJPEWPTINL-LLVKDONJSA-N 0 0 409.377 4.065 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1(c2ccccc2Cl)CCCCC1 ZINC000504303909 913155489 /nfs/dbraw/zinc/15/54/89/913155489.db2.gz KKXGMQKJPBARKV-UHFFFAOYSA-N 0 0 404.898 4.162 20 5 HIBDRN Cc1ccc(O[C@H](C)C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(Br)c1 ZINC000504306046 913156213 /nfs/dbraw/zinc/15/62/13/913156213.db2.gz ZGNDOXRGHBQXIC-CHWSQXEVSA-N 0 0 419.275 4.411 20 5 HIBDRN Cc1ccccc1C(NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1C ZINC000472710959 887561274 /nfs/dbraw/zinc/56/12/74/887561274.db2.gz KJLVHHGVTIYMBV-UHFFFAOYSA-N 0 0 421.428 4.195 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000472756867 887602366 /nfs/dbraw/zinc/60/23/66/887602366.db2.gz WKPGMGXHXNKVFB-UHFFFAOYSA-N 0 0 410.879 4.202 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSCc1coc(-c2ccccc2)n1 ZINC000504311913 913162131 /nfs/dbraw/zinc/16/21/31/913162131.db2.gz VJUKQMBUKXYRFI-AWEZNQCLSA-N 0 0 409.467 4.461 20 5 HIBDRN Cc1ncsc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000472836964 887688954 /nfs/dbraw/zinc/68/89/54/887688954.db2.gz JQWMQWAGDGFGKJ-UHFFFAOYSA-N 0 0 414.409 4.234 20 5 HIBDRN Cc1c(CN2CCN(C(=O)c3cc4sccc4s3)CC2)cccc1[N+](=O)[O-] ZINC000473038202 887860545 /nfs/dbraw/zinc/86/05/45/887860545.db2.gz SXJMLVFNMIADCD-UHFFFAOYSA-N 0 0 401.513 4.137 20 5 HIBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000473048653 887870691 /nfs/dbraw/zinc/87/06/91/887870691.db2.gz LUTZUOPTTYUQKO-CYBMUJFWSA-N 0 0 401.513 4.390 20 5 HIBDRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000473334588 888069468 /nfs/dbraw/zinc/06/94/68/888069468.db2.gz LASMMDSNFDXEPO-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN COCCCC[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000473517182 888248972 /nfs/dbraw/zinc/24/89/72/888248972.db2.gz HFZRNDNJNVCWFQ-IBGZPJMESA-N 0 0 409.442 4.136 20 5 HIBDRN O=C(NCc1nc(CNc2nc3ccccc3cc2[N+](=O)[O-])cs1)c1ccccc1 ZINC000473518418 888250894 /nfs/dbraw/zinc/25/08/94/888250894.db2.gz KOUPWPLPTKBVLJ-UHFFFAOYSA-N 0 0 419.466 4.142 20 5 HIBDRN COCCC[C@H](Cc1ccccc1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000473520604 888255675 /nfs/dbraw/zinc/25/56/75/888255675.db2.gz IOAUTMRFVZHCEZ-LJQANCHMSA-N 0 0 414.505 4.449 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)c1[N+](=O)[O-] ZINC000473595417 888339497 /nfs/dbraw/zinc/33/94/97/888339497.db2.gz FPKIIDZCLKHUSV-UHFFFAOYSA-N 0 0 408.462 4.061 20 5 HIBDRN O=C(NCc1ccc2ncccc2c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000473648782 888395941 /nfs/dbraw/zinc/39/59/41/888395941.db2.gz RZOPFTCUGCJFGM-UHFFFAOYSA-N 0 0 415.399 4.438 20 5 HIBDRN CC(C)Cc1ncc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cn1 ZINC000473657943 888408937 /nfs/dbraw/zinc/40/89/37/888408937.db2.gz LPGGDTYSNFRUDI-UHFFFAOYSA-N 0 0 408.408 4.200 20 5 HIBDRN COc1cc(CNc2cc(-n3cccn3)ccc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000473673780 888436413 /nfs/dbraw/zinc/43/64/13/888436413.db2.gz GBQGRPBYWKTERH-UHFFFAOYSA-N 0 0 418.400 4.354 20 5 HIBDRN Cn1cnc2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)ccc21 ZINC000473709693 888487366 /nfs/dbraw/zinc/48/73/66/888487366.db2.gz KJQMJCAEYSCIAX-UHFFFAOYSA-N 0 0 404.376 4.099 20 5 HIBDRN Cc1cc(NC(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)ccc1[N+](=O)[O-] ZINC000473779558 888583972 /nfs/dbraw/zinc/58/39/72/888583972.db2.gz YZUSVAFQKQWJFK-AWEZNQCLSA-N 0 0 410.352 4.002 20 5 HIBDRN COc1ccc2c(C)cc3nnc(SCc4nc5cc([N+](=O)[O-])ccc5[nH]4)n3c2c1 ZINC000473785437 888594628 /nfs/dbraw/zinc/59/46/28/888594628.db2.gz IPRYAHIEIYARER-UHFFFAOYSA-N 0 0 420.454 4.276 20 5 HIBDRN COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1Oc1ccc(C)nn1 ZINC000473787167 888597650 /nfs/dbraw/zinc/59/76/50/888597650.db2.gz NNIWKAQXDOCSAH-UHFFFAOYSA-N 0 0 409.402 4.447 20 5 HIBDRN Cc1nc2ccc(Br)cn2c1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000474098465 888922341 /nfs/dbraw/zinc/92/23/41/888922341.db2.gz VUBXCAQSQYFOMT-UHFFFAOYSA-N 0 0 403.236 4.183 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N[C@H]3c4ccccc4C[C@H]3O)c([N+](=O)[O-])c2)cc1 ZINC000474139128 888960905 /nfs/dbraw/zinc/96/09/05/888960905.db2.gz PQNFNJSUWKMYOG-YADHBBJMSA-N 0 0 403.438 4.226 20 5 HIBDRN CCOc1ccccc1[C@@H](CC)NC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000504510333 913300756 /nfs/dbraw/zinc/30/07/56/913300756.db2.gz VWMYXRGJIBENAU-HXUWFJFHSA-N 0 0 408.458 4.125 20 5 HIBDRN O=c1c(Br)cc([N+](=O)[O-])cn1CCCOc1ccc2ccccc2c1 ZINC000474339151 889212078 /nfs/dbraw/zinc/21/20/78/889212078.db2.gz FOGFGNYNNLKDOC-UHFFFAOYSA-N 0 0 403.232 4.141 20 5 HIBDRN CC(C)(C)c1ccc(CCNC(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1 ZINC000504556308 913330289 /nfs/dbraw/zinc/33/02/89/913330289.db2.gz SLXMWEZUPJZYKA-UHFFFAOYSA-N 0 0 406.486 4.115 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OCC)cnc1C ZINC000504563550 913334737 /nfs/dbraw/zinc/33/47/37/913334737.db2.gz NXMKEJAGSWGUBE-UHFFFAOYSA-N 0 0 403.460 4.229 20 5 HIBDRN Cc1ccc(Oc2ccccc2)c(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000474477450 889339230 /nfs/dbraw/zinc/33/92/30/889339230.db2.gz NHMIBDPWKRBVPB-UHFFFAOYSA-N 0 0 405.410 4.064 20 5 HIBDRN Cc1cccc(CC2(O)CCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000474515826 889382643 /nfs/dbraw/zinc/38/26/43/889382643.db2.gz OJNBFMWMEJFMTF-GOSISDBHSA-N 0 0 411.502 4.052 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000504584542 913346138 /nfs/dbraw/zinc/34/61/38/913346138.db2.gz CNWVFTDZHHXCLI-UHFFFAOYSA-N 0 0 410.879 4.058 20 5 HIBDRN Cn1cc(CCNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c2ccc(F)cc21 ZINC000474590357 889460185 /nfs/dbraw/zinc/46/01/85/889460185.db2.gz UIHFEBQNXHDGKR-UHFFFAOYSA-N 0 0 409.339 4.217 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccnc1OCC(F)F ZINC000504595006 913353429 /nfs/dbraw/zinc/35/34/29/913353429.db2.gz ZHFRPEKEEQPWRV-UHFFFAOYSA-N 0 0 411.430 4.066 20 5 HIBDRN Cc1c(CNC(=O)N2CCc3cc(Br)cc(F)c3C2)cccc1[N+](=O)[O-] ZINC000474683911 889546770 /nfs/dbraw/zinc/54/67/70/889546770.db2.gz ALOYYIDWHGQUEX-UHFFFAOYSA-N 0 0 422.254 4.073 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000474752500 889609862 /nfs/dbraw/zinc/60/98/62/889609862.db2.gz FJQWVSZVRPLMSG-KGLIPLIRSA-N 0 0 418.877 4.213 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc([N+](=O)[O-])c1OC ZINC000474755599 889613373 /nfs/dbraw/zinc/61/33/73/889613373.db2.gz UEPSHFSLLKPRLS-AWEZNQCLSA-N 0 0 407.426 4.165 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474838815 889696632 /nfs/dbraw/zinc/69/66/32/889696632.db2.gz ISHJGSISGSRKSB-OAHLLOKOSA-N 0 0 423.256 4.137 20 5 HIBDRN C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-c2cccnc2)cc1 ZINC000474869166 889722862 /nfs/dbraw/zinc/72/28/62/889722862.db2.gz OJEOUKLTNBRULT-CQSZACIVSA-N 0 0 414.421 4.402 20 5 HIBDRN COc1c(C(=O)NCc2ccc(COCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000474891330 889748902 /nfs/dbraw/zinc/74/89/02/889748902.db2.gz DAODPWOKBZFFGR-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN Cc1nn(CCc2nc(-c3cccc(Oc4ccccc4)c3)no2)c(C)c1[N+](=O)[O-] ZINC000504627480 913379862 /nfs/dbraw/zinc/37/98/62/913379862.db2.gz ICJMLYWYHRNXMA-UHFFFAOYSA-N 0 0 405.414 4.493 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])c(C)c1 ZINC000474912130 889772953 /nfs/dbraw/zinc/77/29/53/889772953.db2.gz KPVFCXWIZIIOSE-UHFFFAOYSA-N 0 0 402.447 4.029 20 5 HIBDRN CCS(=O)(=O)N1CCc2cc(-c3csc(-c4ccccc4[N+](=O)[O-])n3)ccc21 ZINC000474924754 889784011 /nfs/dbraw/zinc/78/40/11/889784011.db2.gz IXZDWPARQIRLTJ-UHFFFAOYSA-N 0 0 415.496 4.098 20 5 HIBDRN COc1c(C(=O)Nc2cccc(COCCOc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000474953480 889809362 /nfs/dbraw/zinc/80/93/62/889809362.db2.gz MURDUWRLFVRGIK-UHFFFAOYSA-N 0 0 422.437 4.451 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2OC)cn1 ZINC000474974355 889829224 /nfs/dbraw/zinc/82/92/24/889829224.db2.gz WXHSXXQPCYKARI-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1CCSC1 ZINC000475014217 889866517 /nfs/dbraw/zinc/86/65/17/889866517.db2.gz DKRHZGMAEQFOBQ-LBPRGKRZSA-N 0 0 406.485 4.192 20 5 HIBDRN CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000504647812 913392609 /nfs/dbraw/zinc/39/26/09/913392609.db2.gz REFOWTIPDWHLLD-OAHLLOKOSA-N 0 0 416.499 4.284 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CNc3nnc4ccccn43)o2)c(Br)c1 ZINC000475057813 889902037 /nfs/dbraw/zinc/90/20/37/889902037.db2.gz IVBNTCCPZXMRKP-UHFFFAOYSA-N 0 0 414.219 4.272 20 5 HIBDRN O=C(N[C@H]1CCCc2ccc(F)cc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000475077683 889922971 /nfs/dbraw/zinc/92/29/71/889922971.db2.gz TXYNNAQZNGEBLM-NRFANRHFSA-N 0 0 413.449 4.364 20 5 HIBDRN O=C1CCC[C@H]1[C@@H]1COCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000475121763 889979581 /nfs/dbraw/zinc/97/95/81/889979581.db2.gz SFVVVWJLMHJJHF-ICSRJNTNSA-N 0 0 414.433 4.096 20 5 HIBDRN COc1c(C(=O)N(Cc2cccc(Br)c2)C(C)C)cccc1[N+](=O)[O-] ZINC000475170995 890037135 /nfs/dbraw/zinc/03/71/35/890037135.db2.gz CAZWLHFOULPSAG-UHFFFAOYSA-N 0 0 407.264 4.417 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)c2ccc(F)cc2)cc1 ZINC000475174639 890042248 /nfs/dbraw/zinc/04/22/48/890042248.db2.gz PIRUMKJEHYRHKE-HXUWFJFHSA-N 0 0 410.401 4.271 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(C(=O)N2CCSCC2)cc1C ZINC000475178996 890049729 /nfs/dbraw/zinc/04/97/29/890049729.db2.gz TYWNEUOWPVFFDJ-UHFFFAOYSA-N 0 0 415.515 4.103 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000475199547 890070199 /nfs/dbraw/zinc/07/01/99/890070199.db2.gz WFIGDRUXGARCNX-AWEZNQCLSA-N 0 0 419.363 4.442 20 5 HIBDRN Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1C ZINC000475207952 890078003 /nfs/dbraw/zinc/07/80/03/890078003.db2.gz YEFLFOPTKOSZFJ-UHFFFAOYSA-N 0 0 424.379 4.333 20 5 HIBDRN CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475216409 890085633 /nfs/dbraw/zinc/08/56/33/890085633.db2.gz UFXMJWNICIYKKW-QGZVFWFLSA-N 0 0 409.364 4.391 20 5 HIBDRN CC(C)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000475217593 890086081 /nfs/dbraw/zinc/08/60/81/890086081.db2.gz XKOKOMSVRCBKIK-HNNXBMFYSA-N 0 0 422.367 4.175 20 5 HIBDRN COc1cc(C(=O)Nc2ccccc2OCC(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000475408658 890337161 /nfs/dbraw/zinc/33/71/61/890337161.db2.gz UILZTYSPLXSAAR-UHFFFAOYSA-N 0 0 418.299 4.101 20 5 HIBDRN CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC000504712641 913448048 /nfs/dbraw/zinc/44/80/48/913448048.db2.gz RFLQROMTICYDRF-AWEZNQCLSA-N 0 0 411.487 4.167 20 5 HIBDRN COc1c(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cccc1[N+](=O)[O-] ZINC000475470728 890379430 /nfs/dbraw/zinc/37/94/30/890379430.db2.gz RKXSZBZVWGAINN-UHFFFAOYSA-N 0 0 417.421 4.059 20 5 HIBDRN CCOc1cc(NC(=O)[C@H]2CCN(c3ccccc3)[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000475472283 890379789 /nfs/dbraw/zinc/37/97/89/890379789.db2.gz UZJWAYYNFITKND-WBVHZDCISA-N 0 0 413.474 4.246 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[C@@H]1CC(=O)c2ccccc21 ZINC000475483169 890388560 /nfs/dbraw/zinc/38/85/60/890388560.db2.gz ZPNKHARAYWZVSP-GOSISDBHSA-N 0 0 400.390 4.135 20 5 HIBDRN CCOc1cc(N2CCN(Cc3cnc(C4CCC4)s3)CC2)ccc1[N+](=O)[O-] ZINC000475496352 890404123 /nfs/dbraw/zinc/40/41/23/890404123.db2.gz NUHBJTMIHUTETO-UHFFFAOYSA-N 0 0 402.520 4.040 20 5 HIBDRN COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(SC(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000504713436 913448473 /nfs/dbraw/zinc/44/84/73/913448473.db2.gz WDNWSQUJARXXAG-CYBMUJFWSA-N 0 0 402.472 4.373 20 5 HIBDRN COc1cccc(N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1[N+](=O)[O-] ZINC000475506745 890421448 /nfs/dbraw/zinc/42/14/48/890421448.db2.gz IZDMNNSSQGNBLE-UHFFFAOYSA-N 0 0 409.486 4.011 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCCOc2ccccc21 ZINC000504715247 913450005 /nfs/dbraw/zinc/45/00/05/913450005.db2.gz IUDRCTSXHPHLFX-HNNXBMFYSA-N 0 0 423.391 4.446 20 5 HIBDRN COCCSc1ccc([C@@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000504720563 913455280 /nfs/dbraw/zinc/45/52/80/913455280.db2.gz JRTMTZMMHBMLFG-OAHLLOKOSA-N 0 0 413.499 4.165 20 5 HIBDRN CC[C@@H]1NC(=O)N(c2cccc(N[C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])c2)C1=O ZINC000475573488 890504169 /nfs/dbraw/zinc/50/41/69/890504169.db2.gz SABHYEDCOBAXEV-UIAACRFSSA-N 0 0 422.485 4.253 20 5 HIBDRN COC(=O)COc1ccc(CN2CCC[C@@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000475579327 890508009 /nfs/dbraw/zinc/50/80/09/890508009.db2.gz ADNMMIRBCVACAT-QGZVFWFLSA-N 0 0 404.850 4.137 20 5 HIBDRN COC(=O)COc1ccc(CN(C)Cc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000475580392 890509947 /nfs/dbraw/zinc/50/99/47/890509947.db2.gz BWGBHLSTSFSYKN-UHFFFAOYSA-N 0 0 413.257 4.085 20 5 HIBDRN COc1c(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000475594546 890519669 /nfs/dbraw/zinc/51/96/69/890519669.db2.gz GECQLPOKBJLWSU-MRXNPFEDSA-N 0 0 411.241 4.124 20 5 HIBDRN Cc1ccc(-n2cccn2)cc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000475622263 890557058 /nfs/dbraw/zinc/55/70/58/890557058.db2.gz VYSLUGMWXXDHEQ-UHFFFAOYSA-N 0 0 421.457 4.164 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c(OC[C@@H]2CCCO2)c1 ZINC000475638601 890579637 /nfs/dbraw/zinc/57/96/37/890579637.db2.gz KKLZGNLTCHKCOC-SFHVURJKSA-N 0 0 413.474 4.400 20 5 HIBDRN CCOc1cc(NC(=O)N(C)Cc2ncc(CC)s2)c([N+](=O)[O-])cc1OCC ZINC000475640711 890582738 /nfs/dbraw/zinc/58/27/38/890582738.db2.gz DSNJVKQCNOEDGQ-UHFFFAOYSA-N 0 0 408.480 4.075 20 5 HIBDRN Cc1cc(N2CCC(O)(Cc3ccc(F)cc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475721391 890659831 /nfs/dbraw/zinc/65/98/31/890659831.db2.gz AMVZPUARNNNTLX-UHFFFAOYSA-N 0 0 422.460 4.073 20 5 HIBDRN COc1cccc(N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c1[N+](=O)[O-] ZINC000475729751 890668667 /nfs/dbraw/zinc/66/86/67/890668667.db2.gz XXCVVQJXSYTOBF-INIZCTEOSA-N 0 0 411.227 4.083 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCC(C)(C)c3ccccc3F)cc2)c(C)c1[N+](=O)[O-] ZINC000504741695 913479221 /nfs/dbraw/zinc/47/92/21/913479221.db2.gz QMVQEUQNAPFSSF-UHFFFAOYSA-N 0 0 424.476 4.303 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(F)ccc1-n1cccn1 ZINC000475781676 890723560 /nfs/dbraw/zinc/72/35/60/890723560.db2.gz RFGHCALKVPDIRR-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000475843101 890776860 /nfs/dbraw/zinc/77/68/60/890776860.db2.gz HFWSNKYEHZVXIR-IBGZPJMESA-N 0 0 417.824 4.011 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1)c1ccc([N+](=O)[O-])cc1F ZINC000475857660 890793860 /nfs/dbraw/zinc/79/38/60/890793860.db2.gz ODEIWYRLQHFNNS-SFHVURJKSA-N 0 0 424.831 4.404 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1)c1ccc([N+](=O)[O-])cc1 ZINC000475870884 890807813 /nfs/dbraw/zinc/80/78/13/890807813.db2.gz RANVTIQQGNYOMY-GOSISDBHSA-N 0 0 406.841 4.265 20 5 HIBDRN CCOc1cc(C(=O)NCCCCc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000475876058 890811833 /nfs/dbraw/zinc/81/18/33/890811833.db2.gz XBACKDCVYNALBJ-UHFFFAOYSA-N 0 0 408.401 4.033 20 5 HIBDRN COC(=O)c1ccc(-c2nc(COc3ccc([N+](=O)[O-])c(OC)c3)cs2)cc1 ZINC000475896691 890827900 /nfs/dbraw/zinc/82/79/00/890827900.db2.gz LJMYOERCGAECTA-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000475895758 890828185 /nfs/dbraw/zinc/82/81/85/890828185.db2.gz DFUANDUEOFWWSD-MRXNPFEDSA-N 0 0 405.458 4.129 20 5 HIBDRN CCC(CC)(CCO)CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000475934864 890858892 /nfs/dbraw/zinc/85/88/92/890858892.db2.gz SKEKFBAHBXOBED-UHFFFAOYSA-N 0 0 423.560 4.430 20 5 HIBDRN CCCOc1cc(OC)ccc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000475952945 890874330 /nfs/dbraw/zinc/87/43/30/890874330.db2.gz COTQYNCNEQBVDV-HXUWFJFHSA-N 0 0 402.472 4.280 20 5 HIBDRN Cc1c(COC(C)(C)C)cccc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000475979294 890895832 /nfs/dbraw/zinc/89/58/32/890895832.db2.gz NKHYQCXEIATDJK-UHFFFAOYSA-N 0 0 400.479 4.452 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2ccccc2F)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000476255865 891178515 /nfs/dbraw/zinc/17/85/15/891178515.db2.gz KSSOIHBWVOWZPO-QGZVFWFLSA-N 0 0 412.465 4.077 20 5 HIBDRN COc1c(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cccc1[N+](=O)[O-] ZINC000476282286 891201289 /nfs/dbraw/zinc/20/12/89/891201289.db2.gz VOXZJLIRMLVLJX-UHFFFAOYSA-N 0 0 401.806 4.150 20 5 HIBDRN O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000504813221 913532860 /nfs/dbraw/zinc/53/28/60/913532860.db2.gz LAZNBZKEJMGRAU-UHFFFAOYSA-N 0 0 412.449 4.437 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000476345332 891248535 /nfs/dbraw/zinc/24/85/35/891248535.db2.gz AGUBTGRKONNZLU-DLBZAZTESA-N 0 0 410.257 4.332 20 5 HIBDRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000476350984 891255928 /nfs/dbraw/zinc/25/59/28/891255928.db2.gz OWPSDHITCKRSKT-TZIWHRDSSA-N 0 0 406.463 4.134 20 5 HIBDRN COCc1cccc(CNC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c1 ZINC000476396217 891313066 /nfs/dbraw/zinc/31/30/66/891313066.db2.gz LLIDXVCKRFQWLP-UHFFFAOYSA-N 0 0 420.469 4.213 20 5 HIBDRN COCc1ccc(CNC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 ZINC000476398079 891315318 /nfs/dbraw/zinc/31/53/18/891315318.db2.gz RWUFKLMRTPCYJN-UHFFFAOYSA-N 0 0 420.469 4.213 20 5 HIBDRN COc1c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cccc1[N+](=O)[O-] ZINC000476427887 891340096 /nfs/dbraw/zinc/34/00/96/891340096.db2.gz JNUMIFWVOVULFZ-JTQLQIEISA-N 0 0 415.393 4.099 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCN(C)Cc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000504830677 913550769 /nfs/dbraw/zinc/55/07/69/913550769.db2.gz JKMNHCOZFGSEQX-HDICACEKSA-N 0 0 422.529 4.169 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC000504834482 913555158 /nfs/dbraw/zinc/55/51/58/913555158.db2.gz ZOIOQFOCTBZLKR-UHFFFAOYSA-N 0 0 408.911 4.423 20 5 HIBDRN O=C(NC[C@@H]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000476533940 891445236 /nfs/dbraw/zinc/44/52/36/891445236.db2.gz LRAKCTOYEAWFEM-DOMZBBRYSA-N 0 0 406.891 4.290 20 5 HIBDRN COc1ccc(NC(=O)c2cc3sc(N4CCCC4)nc3s2)cc1[N+](=O)[O-] ZINC000476661064 891609227 /nfs/dbraw/zinc/60/92/27/891609227.db2.gz CSTVRBBWUPMOQA-UHFFFAOYSA-N 0 0 404.473 4.127 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)Nc2n[nH]c3cc(F)ccc23)cc1[N+](=O)[O-])c1ccccn1 ZINC000476791430 891774241 /nfs/dbraw/zinc/77/42/41/891774241.db2.gz IJOHWTDGCWXVRB-GFCCVEGCSA-N 0 0 420.404 4.431 20 5 HIBDRN CCOc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000476799960 891783934 /nfs/dbraw/zinc/78/39/34/891783934.db2.gz DNYKFNHXKMPRFT-LESCRADOSA-N 0 0 418.490 4.109 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ncccc1OCC(F)(F)F ZINC000476804580 891790802 /nfs/dbraw/zinc/79/08/02/891790802.db2.gz LWLCZAAXUZOZJD-UHFFFAOYSA-N 0 0 424.360 4.307 20 5 HIBDRN CCNc1ccc(C(=O)OCC)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000476941008 891882444 /nfs/dbraw/zinc/88/24/44/891882444.db2.gz OKEMUDIGXUGQFQ-UHFFFAOYSA-N 0 0 405.838 4.038 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N(CCCO)[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000476971066 891898820 /nfs/dbraw/zinc/89/88/20/891898820.db2.gz RNIITUJSCXVLRY-UTKZUKDTSA-N 0 0 411.502 4.436 20 5 HIBDRN Cc1c(C(=O)N(Cc2ccccc2)CC(C)(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000504875866 913603611 /nfs/dbraw/zinc/60/36/11/913603611.db2.gz MSCOISFWWNFIGF-UHFFFAOYSA-N 0 0 407.474 4.172 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CSCc1csc(COc2ccc(Cl)cc2)n1 ZINC000477021041 891949023 /nfs/dbraw/zinc/94/90/23/891949023.db2.gz LDIGWBWZRCXAFT-UHFFFAOYSA-N 0 0 410.908 4.451 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)cc1 ZINC000477033285 891958810 /nfs/dbraw/zinc/95/88/10/891958810.db2.gz UWERBKIJIUPZTE-IBGZPJMESA-N 0 0 421.434 4.208 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@](C)(CO)c1ccc(Br)cc1 ZINC000477069659 892002796 /nfs/dbraw/zinc/00/27/96/892002796.db2.gz OJAMTSUASYVYDH-SFHVURJKSA-N 0 0 422.279 4.003 20 5 HIBDRN COc1ccc([C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c2ccc(F)cc2)cc1 ZINC000477069321 892002864 /nfs/dbraw/zinc/00/28/64/892002864.db2.gz QIFJJCKFWGVMHZ-JOCHJYFZSA-N 0 0 412.392 4.330 20 5 HIBDRN COc1c(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000477095491 892028627 /nfs/dbraw/zinc/02/86/27/892028627.db2.gz YKLLKIVDTYVWOY-AWEZNQCLSA-N 0 0 406.719 4.429 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000477102438 892035883 /nfs/dbraw/zinc/03/58/83/892035883.db2.gz QJYGPPLLOAVVHQ-UHFFFAOYSA-N 0 0 419.840 4.195 20 5 HIBDRN CCOc1ccc(-c2nc(COc3ncc(C)cc3[N+](=O)[O-])cs2)cc1OC ZINC000477129670 892058256 /nfs/dbraw/zinc/05/82/56/892058256.db2.gz XGGASJVZVIEMQV-UHFFFAOYSA-N 0 0 401.444 4.408 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](Cc1ccccn1)c1ccccc1 ZINC000477177302 892096735 /nfs/dbraw/zinc/09/67/35/892096735.db2.gz RGFDADZDRQJMCS-FQEVSTJZSA-N 0 0 410.861 4.426 20 5 HIBDRN CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n1 ZINC000477250740 892202866 /nfs/dbraw/zinc/20/28/66/892202866.db2.gz OAQLSPZGZPDWML-CYBMUJFWSA-N 0 0 422.507 4.096 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000477253110 892204388 /nfs/dbraw/zinc/20/43/88/892204388.db2.gz GSVUIASDCCOBEW-JOCHJYFZSA-N 0 0 421.478 4.380 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000477280431 892233117 /nfs/dbraw/zinc/23/31/17/892233117.db2.gz RVSLNBFISZVALL-UHFFFAOYSA-N 0 0 402.882 4.118 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cnn([C@H](C)CC)c2C2CC2)cc([N+](=O)[O-])c1 ZINC000477306478 892269945 /nfs/dbraw/zinc/26/99/45/892269945.db2.gz KXVGJXSVBHLHPB-GFCCVEGCSA-N 0 0 400.435 4.069 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000477349821 892316130 /nfs/dbraw/zinc/31/61/30/892316130.db2.gz IOJDEORCWBQRRT-UHFFFAOYSA-N 0 0 408.845 4.363 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)C/C=C/c3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000477375328 892336956 /nfs/dbraw/zinc/33/69/56/892336956.db2.gz QETGPXIQDHLQMW-SNAWJCMRSA-N 0 0 409.486 4.054 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000477379900 892339384 /nfs/dbraw/zinc/33/93/84/892339384.db2.gz JUEVEXXIKLOZHG-UHFFFAOYSA-N 0 0 408.458 4.129 20 5 HIBDRN COC1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCC(C)CC1 ZINC000477390070 892347003 /nfs/dbraw/zinc/34/70/03/892347003.db2.gz CQZANEREVLBEGC-UHFFFAOYSA-N 0 0 414.452 4.285 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000477399502 892353452 /nfs/dbraw/zinc/35/34/52/892353452.db2.gz AFTSLAODTPLGGL-MAUKXSAKSA-N 0 0 409.820 4.010 20 5 HIBDRN O=c1c(Br)cn(Cc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] ZINC000477408352 892360881 /nfs/dbraw/zinc/36/08/81/892360881.db2.gz UQJUXLQZYGJPLY-UHFFFAOYSA-N 0 0 401.216 4.360 20 5 HIBDRN Cc1ccc(Cn2cccc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])c2=O)cc1 ZINC000477420016 892373425 /nfs/dbraw/zinc/37/34/25/892373425.db2.gz BPJPBNVIYTXCSN-UHFFFAOYSA-N 0 0 411.845 4.327 20 5 HIBDRN CCCC(=O)Nc1nc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2s1 ZINC000477467433 892442924 /nfs/dbraw/zinc/44/29/24/892442924.db2.gz ITQSUFFDSHRXCK-UHFFFAOYSA-N 0 0 416.434 4.263 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000477480251 892467082 /nfs/dbraw/zinc/46/70/82/892467082.db2.gz NNOFVIFHJOODKK-UHFFFAOYSA-N 0 0 408.311 4.120 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000477483333 892475604 /nfs/dbraw/zinc/47/56/04/892475604.db2.gz ILVYRFIBYYJBPA-QGZVFWFLSA-N 0 0 404.463 4.170 20 5 HIBDRN CCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000477486402 892479846 /nfs/dbraw/zinc/47/98/46/892479846.db2.gz BRJITNQELCCEBW-UHFFFAOYSA-N 0 0 411.380 4.477 20 5 HIBDRN CCC1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000477494359 892494865 /nfs/dbraw/zinc/49/48/65/892494865.db2.gz PUPNVKIDRJKCQD-UHFFFAOYSA-N 0 0 404.470 4.439 20 5 HIBDRN CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1c2ccccc2-c2ccccc21 ZINC000477520178 892539790 /nfs/dbraw/zinc/53/97/90/892539790.db2.gz DDACKAZXYOHWJO-UHFFFAOYSA-N 0 0 411.421 4.018 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC000477522082 892543922 /nfs/dbraw/zinc/54/39/22/892543922.db2.gz CPTNJAHVDVGJTE-INIZCTEOSA-N 0 0 411.462 4.343 20 5 HIBDRN Cc1ccc(-c2ccc(C)c(NC(=O)CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)o1 ZINC000477542257 892580937 /nfs/dbraw/zinc/58/09/37/892580937.db2.gz JRVOCUFVCZMULA-UHFFFAOYSA-N 0 0 407.426 4.149 20 5 HIBDRN Cc1cc(C(=O)NCc2cc(Br)ccc2OC(F)F)cc([N+](=O)[O-])c1 ZINC000504941947 913681095 /nfs/dbraw/zinc/68/10/95/913681095.db2.gz HILUCVTVBPXGAR-UHFFFAOYSA-N 0 0 415.190 4.197 20 5 HIBDRN Cc1ccc(-c2ccc(C)c(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)c2)o1 ZINC000477561355 892615558 /nfs/dbraw/zinc/61/55/58/892615558.db2.gz PALKPZJRWVRFNI-HNNXBMFYSA-N 0 0 407.426 4.229 20 5 HIBDRN CSc1cc2c(cc1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])OCCO2 ZINC000477564682 892620728 /nfs/dbraw/zinc/62/07/28/892620728.db2.gz VYNSXLLNOTVJBC-UHFFFAOYSA-N 0 0 423.878 4.106 20 5 HIBDRN Cc1nc(-c2ccc(C)c(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])c2)n[nH]1 ZINC000477616264 892712944 /nfs/dbraw/zinc/71/29/44/892712944.db2.gz RFFWFJBWUOXVRC-UHFFFAOYSA-N 0 0 414.853 4.014 20 5 HIBDRN COc1ccc(F)cc1-c1csc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)n1 ZINC000477674018 892804725 /nfs/dbraw/zinc/80/47/25/892804725.db2.gz MRYIYWDLCFSTGD-UHFFFAOYSA-N 0 0 417.418 4.435 20 5 HIBDRN Cc1c(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000477814957 892884833 /nfs/dbraw/zinc/88/48/33/892884833.db2.gz LKMIHYRJWZMYHX-KZULUSFZSA-N 0 0 422.268 4.368 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000477820801 892887711 /nfs/dbraw/zinc/88/77/11/892887711.db2.gz IJCCUXPLVIKFTJ-INIZCTEOSA-N 0 0 405.838 4.453 20 5 HIBDRN CCCOc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(OCCCOC)c1 ZINC000477876623 892938470 /nfs/dbraw/zinc/93/84/70/892938470.db2.gz MPXCPWMTWHLICR-UHFFFAOYSA-N 0 0 414.458 4.002 20 5 HIBDRN COc1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)c(OC)c1 ZINC000504976647 913718390 /nfs/dbraw/zinc/71/83/90/913718390.db2.gz HUKBVQUNZKFLAC-UHFFFAOYSA-N 0 0 413.352 4.261 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000477944464 893033303 /nfs/dbraw/zinc/03/33/03/893033303.db2.gz XAYCMORYIGBEML-UHFFFAOYSA-N 0 0 404.348 4.371 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(CC(C)C)c2cccc(Br)c2)n1 ZINC000477982499 893081081 /nfs/dbraw/zinc/08/10/81/893081081.db2.gz WMYHNCFDUMBWNV-SFHVURJKSA-N 0 0 423.311 4.265 20 5 HIBDRN C[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1F ZINC000477991865 893092112 /nfs/dbraw/zinc/09/21/12/893092112.db2.gz MKSLHOGFKGCKKB-XTWCZFFVSA-N 0 0 413.268 4.334 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000478033331 893162658 /nfs/dbraw/zinc/16/26/58/893162658.db2.gz LOIHHCJUQMXIOL-UHFFFAOYSA-N 0 0 412.273 4.371 20 5 HIBDRN CC[C@@H](CC1CCCC1)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000478078681 893241300 /nfs/dbraw/zinc/24/13/00/893241300.db2.gz DTAAUROSUYNUKJ-KRWDZBQOSA-N 0 0 413.522 4.116 20 5 HIBDRN O=C(c1ccc2sccc2c1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000478093113 893256238 /nfs/dbraw/zinc/25/62/38/893256238.db2.gz STCZIZRBPWRGKH-UHFFFAOYSA-N 0 0 421.482 4.038 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000478122848 893293493 /nfs/dbraw/zinc/29/34/93/893293493.db2.gz ZVZQLBPNTZIBSX-UHFFFAOYSA-N 0 0 409.417 4.023 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000478130961 893303566 /nfs/dbraw/zinc/30/35/66/893303566.db2.gz ZCCGINBFJONALS-UHFFFAOYSA-N 0 0 405.454 4.192 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccncc3)n2C2CC2)c(Br)c1 ZINC000478222240 893382342 /nfs/dbraw/zinc/38/23/42/893382342.db2.gz CPZAAOIAVOIZJX-UHFFFAOYSA-N 0 0 418.276 4.497 20 5 HIBDRN NC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)ccc1F ZINC000478273572 893468503 /nfs/dbraw/zinc/46/85/03/893468503.db2.gz NJNMWOBQTIEPKK-UHFFFAOYSA-N 0 0 423.404 4.089 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCOC2(C1)CCCCCC2 ZINC000478292059 893504002 /nfs/dbraw/zinc/50/40/02/893504002.db2.gz OWFRYNXLXAEKLY-UHFFFAOYSA-N 0 0 401.488 4.284 20 5 HIBDRN NC(=O)Nc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])ccc1F ZINC000478322514 893553231 /nfs/dbraw/zinc/55/32/31/893553231.db2.gz FMYOPKZCWUYGMW-UHFFFAOYSA-N 0 0 424.388 4.056 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000478497178 893813914 /nfs/dbraw/zinc/81/39/14/893813914.db2.gz ZOJAQXKXEYMCFG-HNNXBMFYSA-N 0 0 402.756 4.039 20 5 HIBDRN CCCOc1ccc(C(C)(C)NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000478534679 893836160 /nfs/dbraw/zinc/83/61/60/893836160.db2.gz LDNNTDQSKVQOGE-UHFFFAOYSA-N 0 0 409.442 4.303 20 5 HIBDRN Cc1c(CNC(=O)NCc2cc(Oc3ccc(F)cc3)ccn2)cccc1[N+](=O)[O-] ZINC000478599292 893866795 /nfs/dbraw/zinc/86/67/95/893866795.db2.gz PSOUENYLBPQVDO-UHFFFAOYSA-N 0 0 410.405 4.229 20 5 HIBDRN Cc1ccc(I)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000478640465 893890706 /nfs/dbraw/zinc/89/07/06/893890706.db2.gz UUNZTRLQGORZJK-UHFFFAOYSA-N 0 0 421.194 4.241 20 5 HIBDRN CC(C)c1ncc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 ZINC000478669076 893918619 /nfs/dbraw/zinc/91/86/19/893918619.db2.gz GRNDVINHQLNZAY-CQSZACIVSA-N 0 0 406.446 4.329 20 5 HIBDRN Cc1cccc2c1N(C1CC1)CCN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000478701747 893963378 /nfs/dbraw/zinc/96/33/78/893963378.db2.gz UBEDSRWKCNAXRH-UHFFFAOYSA-N 0 0 420.513 4.135 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1Cl ZINC000478703408 893965354 /nfs/dbraw/zinc/96/53/54/893965354.db2.gz XQKNXGNEYUJEED-UHFFFAOYSA-N 0 0 419.865 4.300 20 5 HIBDRN CCOc1cc(OCC(=O)N[C@@H](c2cccs2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000478726989 894001460 /nfs/dbraw/zinc/00/14/60/894001460.db2.gz YRVSTRFQTCNQBU-OAQYLSRUSA-N 0 0 412.467 4.340 20 5 HIBDRN CCOc1cc(OCC(=O)N[C@H](C)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000478729721 894004231 /nfs/dbraw/zinc/00/42/31/894004231.db2.gz DCIBBGNEZPDJCE-GFCCVEGCSA-N 0 0 423.263 4.012 20 5 HIBDRN CCC(CC)[C@H]1C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000478776549 894052117 /nfs/dbraw/zinc/05/21/17/894052117.db2.gz XJSZBZIWWCDNOF-MAUKXSAKSA-N 0 0 403.504 4.432 20 5 HIBDRN CCC(CC)[C@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000478783695 894058934 /nfs/dbraw/zinc/05/89/34/894058934.db2.gz ZZGXWYCZIMZKMX-MAUKXSAKSA-N 0 0 403.504 4.432 20 5 HIBDRN Cc1c(CNC(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000478807051 894079912 /nfs/dbraw/zinc/07/99/12/894079912.db2.gz RTAKPSILGYFVFT-NRFANRHFSA-N 0 0 418.453 4.082 20 5 HIBDRN CN(Cc1ccc(Br)cc1Cl)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000478806040 894079983 /nfs/dbraw/zinc/07/99/83/894079983.db2.gz NSLQVKMGISYROC-UHFFFAOYSA-N 0 0 412.671 4.352 20 5 HIBDRN CCO[C@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C12CCCCC2 ZINC000478852185 894131208 /nfs/dbraw/zinc/13/12/08/894131208.db2.gz VOWSOCCAIGISQF-RTWAWAEBSA-N 0 0 415.534 4.055 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc([N+](=O)[O-])c1C ZINC000478866405 894146009 /nfs/dbraw/zinc/14/60/09/894146009.db2.gz LIKUYFGFJRVNJF-CQSZACIVSA-N 0 0 411.458 4.179 20 5 HIBDRN CCOC(=O)Cc1ccccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505146413 913841121 /nfs/dbraw/zinc/84/11/21/913841121.db2.gz LNOVZBGFIAHAMX-UHFFFAOYSA-N 0 0 411.439 4.076 20 5 HIBDRN O=C(NCc1csc(-c2ccco2)n1)c1ccc([N+](=O)[O-])cc1Br ZINC000478881224 894159209 /nfs/dbraw/zinc/15/92/09/894159209.db2.gz HCPZJGMNUVFGMI-UHFFFAOYSA-N 0 0 408.233 4.004 20 5 HIBDRN Cc1cc(OCC(=O)N[C@H](C)c2ccc(Br)cc2)c(F)cc1[N+](=O)[O-] ZINC000478891329 894173107 /nfs/dbraw/zinc/17/31/07/894173107.db2.gz CFYWKYBXTMXMRP-LLVKDONJSA-N 0 0 411.227 4.061 20 5 HIBDRN COc1ccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1OCc1cccnc1 ZINC000478896078 894176887 /nfs/dbraw/zinc/17/68/87/894176887.db2.gz XWDUQOVXORGBKT-UHFFFAOYSA-N 0 0 423.425 4.147 20 5 HIBDRN COc1ccccc1C[C@@H]1CCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000478895371 894177002 /nfs/dbraw/zinc/17/70/02/894177002.db2.gz CQMGNJAPODRICN-QAPCUYQASA-N 0 0 400.500 4.318 20 5 HIBDRN CCOc1cc(NC(=O)NCc2nc(C(C)C)cs2)c([N+](=O)[O-])cc1OCC ZINC000478931298 894213576 /nfs/dbraw/zinc/21/35/76/894213576.db2.gz VQXWPYFBPWSWMO-UHFFFAOYSA-N 0 0 408.480 4.294 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1Br)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000478939334 894219341 /nfs/dbraw/zinc/21/93/41/894219341.db2.gz QTJZAZBIPYTCHK-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000478938883 894220433 /nfs/dbraw/zinc/22/04/33/894220433.db2.gz XBRHLHOERAPVDU-KRWDZBQOSA-N 0 0 407.923 4.393 20 5 HIBDRN CCCC(=O)Nc1ccc(Cl)c(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000478942208 894222700 /nfs/dbraw/zinc/22/27/00/894222700.db2.gz XDIQOKXMGCIRCX-QGZVFWFLSA-N 0 0 416.865 4.204 20 5 HIBDRN Cc1c(CNC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cccc1[N+](=O)[O-] ZINC000478951710 894233648 /nfs/dbraw/zinc/23/36/48/894233648.db2.gz KAZYIBWRNZPBFV-UHFFFAOYSA-N 0 0 410.405 4.229 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000479010589 894276989 /nfs/dbraw/zinc/27/69/89/894276989.db2.gz LNOVDBDUODRKFM-UHFFFAOYSA-N 0 0 414.527 4.428 20 5 HIBDRN COC(=O)c1cc(C(=O)N(c2cccc(C(F)(F)F)c2)C(C)C)cc([N+](=O)[O-])c1 ZINC000479086099 894351786 /nfs/dbraw/zinc/35/17/86/894351786.db2.gz RQUSTIWHTROSIL-UHFFFAOYSA-N 0 0 410.348 4.455 20 5 HIBDRN CC(C)N(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cccc(C(F)(F)F)c1 ZINC000479088267 894355667 /nfs/dbraw/zinc/35/56/67/894355667.db2.gz DXROQPSHLJSTLP-UHFFFAOYSA-N 0 0 419.363 4.250 20 5 HIBDRN CNc1c(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC000505173425 913861926 /nfs/dbraw/zinc/86/19/26/913861926.db2.gz PNYJCCMJYCFBBQ-UHFFFAOYSA-N 0 0 418.291 4.419 20 5 HIBDRN Cc1cc(S(=O)(=O)Nc2cc(Br)ccc2Cl)ccc1[N+](=O)[O-] ZINC000479121982 894390645 /nfs/dbraw/zinc/39/06/45/894390645.db2.gz PTMXHYOYXVKZOK-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F ZINC000479126014 894394601 /nfs/dbraw/zinc/39/46/01/894394601.db2.gz AGGKOUTUXHOUAT-UHFFFAOYSA-N 0 0 417.437 4.396 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Cl)c2ncccc21 ZINC000479127688 894396609 /nfs/dbraw/zinc/39/66/09/894396609.db2.gz DTWFFYWGDHWMQS-UHFFFAOYSA-N 0 0 416.217 4.390 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000479147215 894416963 /nfs/dbraw/zinc/41/69/63/894416963.db2.gz ZTMSOFJUQRPAFQ-UHFFFAOYSA-N 0 0 411.650 4.364 20 5 HIBDRN Cc1cc(C)cc([C@H]2NC(=O)N(Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2=O)c1 ZINC000479179174 894447170 /nfs/dbraw/zinc/44/71/70/894447170.db2.gz HQIYTXXGXQNYTM-MRXNPFEDSA-N 0 0 407.348 4.024 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000479270869 894544001 /nfs/dbraw/zinc/54/40/01/894544001.db2.gz AUBLFWVXVKUHST-QGZVFWFLSA-N 0 0 410.854 4.080 20 5 HIBDRN CCCN(C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000479365272 894664694 /nfs/dbraw/zinc/66/46/94/894664694.db2.gz YDGFQWHRGUBCOR-IBGZPJMESA-N 0 0 411.458 4.096 20 5 HIBDRN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000505224442 913891721 /nfs/dbraw/zinc/89/17/21/913891721.db2.gz OAKFIWJQKVIKRL-UHFFFAOYSA-N 0 0 423.391 4.032 20 5 HIBDRN CC[C@H]1[C@@H](C)CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000479411372 894719407 /nfs/dbraw/zinc/71/94/07/894719407.db2.gz AMBOZADOAVXDNS-BBRMVZONSA-N 0 0 413.440 4.477 20 5 HIBDRN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000479418396 894728318 /nfs/dbraw/zinc/72/83/18/894728318.db2.gz SZCHYCVFNZWJQN-MRXNPFEDSA-N 0 0 414.483 4.115 20 5 HIBDRN CCc1c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cnn1Cc1ccccc1 ZINC000479444213 894761466 /nfs/dbraw/zinc/76/14/66/894761466.db2.gz RWCGXHGUAYHDGH-UHFFFAOYSA-N 0 0 412.877 4.028 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)SCCN(Cc1ccccc1)S(C)(=O)=O ZINC000479523279 894833195 /nfs/dbraw/zinc/83/31/95/894833195.db2.gz DDYQMYTVORNTKY-MRXNPFEDSA-N 0 0 408.545 4.159 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1csc(-c2ccco2)n1 ZINC000479592773 894875426 /nfs/dbraw/zinc/87/54/26/894875426.db2.gz NXGDLILRQXPNOG-UHFFFAOYSA-N 0 0 400.460 4.432 20 5 HIBDRN COc1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1C ZINC000479622891 894890720 /nfs/dbraw/zinc/89/07/20/894890720.db2.gz WIGCMIDXURZNGZ-UHFFFAOYSA-N 0 0 416.861 4.300 20 5 HIBDRN CCCC(=O)Nc1cccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1C ZINC000479691731 894979363 /nfs/dbraw/zinc/97/93/63/894979363.db2.gz NNVWYSNRTYNTHD-UHFFFAOYSA-N 0 0 407.430 4.080 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479695648 894985483 /nfs/dbraw/zinc/98/54/83/894985483.db2.gz WHUQUUQYMPKLQE-UHFFFAOYSA-N 0 0 421.457 4.326 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)ccc1OC(C)C ZINC000479715040 895011540 /nfs/dbraw/zinc/01/15/40/895011540.db2.gz CRBZCGSGUPADHN-OAHLLOKOSA-N 0 0 424.457 4.067 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2C[C@@H](C)Oc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000479717424 895013797 /nfs/dbraw/zinc/01/37/97/895013797.db2.gz QQHWEAOMBYCYFI-SECBINFHSA-N 0 0 409.211 4.233 20 5 HIBDRN Cc1c(CNC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000479724857 895022347 /nfs/dbraw/zinc/02/23/47/895022347.db2.gz WTHQWOFACZWAIZ-WMZOPIPTSA-N 0 0 407.829 4.025 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000479750583 895048913 /nfs/dbraw/zinc/04/89/13/895048913.db2.gz VBSIDABPCUVTRX-LBPRGKRZSA-N 0 0 422.279 4.235 20 5 HIBDRN CC1(C)CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000479751301 895050805 /nfs/dbraw/zinc/05/08/05/895050805.db2.gz SVMYPDPHGSGQHL-AWEZNQCLSA-N 0 0 407.820 4.411 20 5 HIBDRN O=C(Nc1cccc(OCc2cscn2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479785424 895087522 /nfs/dbraw/zinc/08/75/22/895087522.db2.gz QNHOHPADWVCJBU-UHFFFAOYSA-N 0 0 421.438 4.068 20 5 HIBDRN CCC(CC)[C@@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCO1 ZINC000479786464 895089883 /nfs/dbraw/zinc/08/98/83/895089883.db2.gz HPMGHFBYQOSCLG-JPYJTQIMSA-N 0 0 406.526 4.255 20 5 HIBDRN CC(C)(C)c1nc2cc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)ccc2[nH]1 ZINC000479787074 895090695 /nfs/dbraw/zinc/09/06/95/895090695.db2.gz UDLKHPFHIMDTKI-UHFFFAOYSA-N 0 0 404.430 4.207 20 5 HIBDRN CC(C)COC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000505276795 913933794 /nfs/dbraw/zinc/93/37/94/913933794.db2.gz ABUOGGMEVUNRGH-UKRRQHHQSA-N 0 0 410.854 4.139 20 5 HIBDRN CC[C@H](NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000479877798 895220896 /nfs/dbraw/zinc/22/08/96/895220896.db2.gz XTTXOSDWZIRSGO-JTQLQIEISA-N 0 0 403.382 4.268 20 5 HIBDRN Cc1cc(Br)ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479950533 895303929 /nfs/dbraw/zinc/30/39/29/895303929.db2.gz OGGQCCYQVJTRDL-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c1C ZINC000479994197 895346837 /nfs/dbraw/zinc/34/68/37/895346837.db2.gz XDKXOZIPQLYVRW-KRWDZBQOSA-N 0 0 415.471 4.269 20 5 HIBDRN O=C(c1cc2c(cc(Cl)cc2Cl)[nH]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000480016059 895366709 /nfs/dbraw/zinc/36/67/09/895366709.db2.gz HPVFWLMPQZZPLB-NSHDSACASA-N 0 0 420.256 4.105 20 5 HIBDRN Cc1nc[nH]c1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000480024477 895374959 /nfs/dbraw/zinc/37/49/59/895374959.db2.gz UIVPWIIPGTYPKF-UHFFFAOYSA-N 0 0 402.863 4.361 20 5 HIBDRN COc1cc(C(=O)N(CCc2ccccc2)Cc2ccncc2)cc([N+](=O)[O-])c1C ZINC000480032221 895382331 /nfs/dbraw/zinc/38/23/31/895382331.db2.gz UIZYIXXFXWJIIH-UHFFFAOYSA-N 0 0 405.454 4.192 20 5 HIBDRN CCC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000480052508 895400746 /nfs/dbraw/zinc/40/07/46/895400746.db2.gz XVDNOTCAXYAWHL-OAQYLSRUSA-N 0 0 414.481 4.231 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cccc(C(C)(C)C)c2O)cc1[N+](=O)[O-] ZINC000480056565 895404807 /nfs/dbraw/zinc/40/48/07/895404807.db2.gz FXTCRNYLVQXTQS-UHFFFAOYSA-N 0 0 404.488 4.478 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cccc1[N+](=O)[O-] ZINC000480064555 895414230 /nfs/dbraw/zinc/41/42/30/895414230.db2.gz WZFCMZFIQTXBCM-UHFFFAOYSA-N 0 0 423.429 4.140 20 5 HIBDRN Cc1c(CNC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cccc1[N+](=O)[O-] ZINC000480068664 895418457 /nfs/dbraw/zinc/41/84/57/895418457.db2.gz JBZLTBKAHKLFTQ-UHFFFAOYSA-N 0 0 402.838 4.005 20 5 HIBDRN C[C@H]1CO[C@H](c2ccccc2Cl)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000480072288 895422955 /nfs/dbraw/zinc/42/29/55/895422955.db2.gz KWGBWJPOQPCLJJ-RBZFPXEDSA-N 0 0 415.877 4.107 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1[N+](=O)[O-] ZINC000480098994 895466644 /nfs/dbraw/zinc/46/66/44/895466644.db2.gz PEDLMTUYUVVMPG-SECBINFHSA-N 0 0 416.425 4.183 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc([N+](=O)[O-])c1C ZINC000480169707 895560893 /nfs/dbraw/zinc/56/08/93/895560893.db2.gz NFDVMCZGWJDTGH-UHFFFAOYSA-N 0 0 409.446 4.042 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000480193473 895589798 /nfs/dbraw/zinc/58/97/98/895589798.db2.gz DNNFJDGNZFLZKC-KRWDZBQOSA-N 0 0 420.462 4.116 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)Nc2cc(F)cc(F)c2Br)c1[N+](=O)[O-] ZINC000480198548 895596164 /nfs/dbraw/zinc/59/61/64/895596164.db2.gz IGPOXSUBMIODTH-UHFFFAOYSA-N 0 0 421.219 4.053 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000480297301 895702931 /nfs/dbraw/zinc/70/29/31/895702931.db2.gz CHGHCNSLSWSADP-AWEZNQCLSA-N 0 0 414.245 4.155 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000505331052 913995707 /nfs/dbraw/zinc/99/57/07/913995707.db2.gz NYEPVPJBGVAOHE-SFHVURJKSA-N 0 0 422.441 4.168 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000480379720 895785974 /nfs/dbraw/zinc/78/59/74/895785974.db2.gz QDKSDFUFGIUWTL-AWEZNQCLSA-N 0 0 404.426 4.042 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CCCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480472275 895853099 /nfs/dbraw/zinc/85/30/99/895853099.db2.gz ZQXPZVBJISPCDD-UHFFFAOYSA-N 0 0 422.485 4.417 20 5 HIBDRN Cc1cc(N2CCC[C@]3(C2)OCc2ccccc23)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000480511363 895878636 /nfs/dbraw/zinc/87/86/36/895878636.db2.gz SPHAPAYRAVSSMG-HSZRJFAPSA-N 0 0 402.454 4.386 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@@H](c2ccccc2)c2cccnc2)c([N+](=O)[O-])c1 ZINC000480515664 895881400 /nfs/dbraw/zinc/88/14/00/895881400.db2.gz SBBXQNFRLWVXDK-NRFANRHFSA-N 0 0 413.437 4.156 20 5 HIBDRN COc1cc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000480532737 895894723 /nfs/dbraw/zinc/89/47/23/895894723.db2.gz VZTFEKZQOSTMQC-BLVKFPJESA-N 0 0 404.850 4.167 20 5 HIBDRN COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000480580532 895941630 /nfs/dbraw/zinc/94/16/30/895941630.db2.gz KDDSWTRWCJYKLH-UHFFFAOYSA-N 0 0 424.497 4.239 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(-c2ccccc2Cl)n1 ZINC000480643363 896012936 /nfs/dbraw/zinc/01/29/36/896012936.db2.gz FUSPFPYXJHYEQI-UHFFFAOYSA-N 0 0 403.851 4.398 20 5 HIBDRN CC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 ZINC000480699414 896059812 /nfs/dbraw/zinc/05/98/12/896059812.db2.gz GAIWMPQKEBWEOL-UHFFFAOYSA-N 0 0 418.453 4.095 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)c(Cl)c1 ZINC000480746669 896107829 /nfs/dbraw/zinc/10/78/29/896107829.db2.gz GLRCKZMCMRVOPQ-UHFFFAOYSA-N 0 0 422.812 4.392 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3nc(-c4ccccc4Cl)cs3)C2)nc1 ZINC000480774154 896138394 /nfs/dbraw/zinc/13/83/94/896138394.db2.gz UYEGWGIRLQINHR-CYBMUJFWSA-N 0 0 415.906 4.453 20 5 HIBDRN Cc1cc(N[C@H](C)C(=O)N2Cc3ccccc3C2)c(Br)cc1[N+](=O)[O-] ZINC000480826550 896200177 /nfs/dbraw/zinc/20/01/77/896200177.db2.gz KRALEFIUAYHXCY-GFCCVEGCSA-N 0 0 404.264 4.009 20 5 HIBDRN O=C(NC1CC1)c1ccc(N[C@@H]2C[C@H]2c2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000480845363 896217536 /nfs/dbraw/zinc/21/75/36/896217536.db2.gz LOCBIKNZWFJXCH-DGCLKSJQSA-N 0 0 422.304 4.279 20 5 HIBDRN CC(C)(C)[C@H]1C[C@@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000480918309 896277480 /nfs/dbraw/zinc/27/74/80/896277480.db2.gz UJXQDEPDQAPPSI-SWLSCSKDSA-N 0 0 420.453 4.416 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC(c2cccs2)c2cccs2)c1C ZINC000480993541 896325877 /nfs/dbraw/zinc/32/58/77/896325877.db2.gz XSQRTYVEKZFDSQ-UHFFFAOYSA-N 0 0 408.526 4.403 20 5 HIBDRN C[C@@H](NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000481060474 896382564 /nfs/dbraw/zinc/38/25/64/896382564.db2.gz PXRVQMZPNSJYTG-PIGZYNQJSA-N 0 0 412.273 4.386 20 5 HIBDRN Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2cnn(C)c2n1 ZINC000481123882 896449737 /nfs/dbraw/zinc/44/97/37/896449737.db2.gz YXUMIYZLVRNKKR-UHFFFAOYSA-N 0 0 401.426 4.032 20 5 HIBDRN O=C(N[C@@H]1CCCc2c(O)cccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000481179674 896517492 /nfs/dbraw/zinc/51/74/92/896517492.db2.gz SGTHINIUPIQBBO-OAHLLOKOSA-N 0 0 410.348 4.049 20 5 HIBDRN CCn1c(SCC(=O)N(CC(C)C)CC(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481339007 896702134 /nfs/dbraw/zinc/70/21/34/896702134.db2.gz MRNANSKIGMPLKC-UHFFFAOYSA-N 0 0 419.551 4.106 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000481344504 896712299 /nfs/dbraw/zinc/71/22/99/896712299.db2.gz KXRSYFMAMCARFW-MRXNPFEDSA-N 0 0 415.877 4.356 20 5 HIBDRN CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000481346375 896715755 /nfs/dbraw/zinc/71/57/55/896715755.db2.gz MWKQZKVHSOVGLF-GOEBONIOSA-N 0 0 417.535 4.145 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000481354575 896729780 /nfs/dbraw/zinc/72/97/80/896729780.db2.gz YFYWCNZJNOQFJR-MRXNPFEDSA-N 0 0 417.334 4.361 20 5 HIBDRN CCn1c(S[C@@H]2CCCN(c3ccccc3)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481361826 896740916 /nfs/dbraw/zinc/74/09/16/896740916.db2.gz YSJQCHHUXRDCGW-GOSISDBHSA-N 0 0 423.498 4.161 20 5 HIBDRN Cc1c(CNC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000481463399 896855538 /nfs/dbraw/zinc/85/55/38/896855538.db2.gz FMKMHAABFMCLDT-LBPRGKRZSA-N 0 0 419.275 4.191 20 5 HIBDRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481473678 896861009 /nfs/dbraw/zinc/86/10/09/896861009.db2.gz IKKPDBSKJUFVIG-UHFFFAOYSA-N 0 0 412.877 4.348 20 5 HIBDRN Cc1c(CNC(=O)[C@@H](C)Sc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000481475340 896862143 /nfs/dbraw/zinc/86/21/43/896862143.db2.gz CRSDMDICZVBICR-GFCCVEGCSA-N 0 0 409.305 4.463 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCC(C)(C)c3ccccc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000505447779 914114313 /nfs/dbraw/zinc/11/43/13/914114313.db2.gz NVRKFMDZGXJNFQ-UHFFFAOYSA-N 0 0 420.513 4.472 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H]2CCO[C@@H](C(CC)CC)C2)c([N+](=O)[O-])cc1OCC ZINC000481584238 896964888 /nfs/dbraw/zinc/96/48/88/896964888.db2.gz JRVMSZJHKFQASY-MAUKXSAKSA-N 0 0 423.510 4.498 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000481594564 896973550 /nfs/dbraw/zinc/97/35/50/896973550.db2.gz GTOYXUHQCGBXSZ-UHFFFAOYSA-N 0 0 416.499 4.059 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc2c(cc1Cl)OCCO2 ZINC000481601946 896981734 /nfs/dbraw/zinc/98/17/34/896981734.db2.gz WCHZCEMAOMYFBN-UHFFFAOYSA-N 0 0 412.229 4.037 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1nnc(-c2ccsc2)s1 ZINC000481699576 897086286 /nfs/dbraw/zinc/08/62/86/897086286.db2.gz KSNAKGKYVBWOPV-UHFFFAOYSA-N 0 0 409.880 4.192 20 5 HIBDRN O=C(NCC(F)(F)C(F)F)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481701284 897089611 /nfs/dbraw/zinc/08/96/11/897089611.db2.gz DLRHGWGPZUCURT-UHFFFAOYSA-N 0 0 419.762 4.491 20 5 HIBDRN Cc1nn(C)c(C(=O)Nc2nc(CC34CC5CC(CC(C5)C3)C4)cs2)c1[N+](=O)[O-] ZINC000481773241 897156523 /nfs/dbraw/zinc/15/65/23/897156523.db2.gz ZXAQJUZTDZHQGO-UHFFFAOYSA-N 0 0 415.519 4.104 20 5 HIBDRN O=C(NC1CC1)c1ccc(NCCc2csc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000481826749 897197175 /nfs/dbraw/zinc/19/71/75/897197175.db2.gz XZUHOKIILGTHTE-UHFFFAOYSA-N 0 0 408.483 4.265 20 5 HIBDRN COc1ccc(-n2c(Sc3cc(C)ccc3[N+](=O)[O-])nnc2-c2cnccn2)cc1 ZINC000481838829 897205223 /nfs/dbraw/zinc/20/52/23/897205223.db2.gz QQAJZXGVTBFCRY-UHFFFAOYSA-N 0 0 420.454 4.101 20 5 HIBDRN O=C(Nc1c(Br)cc(F)cc1Br)c1ccc([N+](=O)[O-])o1 ZINC000481853910 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COCCN(Cc1sccc1Br)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000482967854 898600782 /nfs/dbraw/zinc/60/07/82/898600782.db2.gz XTFWPQWAZVJHLU-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000482990375 898631977 /nfs/dbraw/zinc/63/19/77/898631977.db2.gz OBLIRRTXNSZEQW-UHFFFAOYSA-N 0 0 402.472 4.095 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(COc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)c(F)c1 ZINC000505565507 914271042 /nfs/dbraw/zinc/27/10/42/914271042.db2.gz VQTQWUZXJVZSGH-QGZVFWFLSA-N 0 0 403.341 4.354 20 5 HIBDRN COCCN(C[C@@H]1CC=CCC1)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000483035548 898701847 /nfs/dbraw/zinc/70/18/47/898701847.db2.gz KENPUKKWIOHDLV-CQSZACIVSA-N 0 0 411.296 4.111 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2-n2cccn2)cc1SC ZINC000483036949 898703363 /nfs/dbraw/zinc/70/33/63/898703363.db2.gz BCWHCUFSWVFHIU-UHFFFAOYSA-N 0 0 418.862 4.417 20 5 HIBDRN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000483116961 898806019 /nfs/dbraw/zinc/80/60/19/898806019.db2.gz GVRGEGKGMXKCBH-UHFFFAOYSA-N 0 0 404.348 4.072 20 5 HIBDRN COc1c(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)cccc1[N+](=O)[O-] ZINC000483128392 898811801 /nfs/dbraw/zinc/81/18/01/898811801.db2.gz PSPLADGJKQOTDK-UHFFFAOYSA-N 0 0 402.410 4.479 20 5 HIBDRN Cc1nc2ccc(C(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)cc2n1C ZINC000483132878 898815125 /nfs/dbraw/zinc/81/51/25/898815125.db2.gz GXUWSEKMWKJKCE-UHFFFAOYSA-N 0 0 407.455 4.474 20 5 HIBDRN Cc1ccc(NC(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c(Br)c1 ZINC000505585157 914291083 /nfs/dbraw/zinc/29/10/83/914291083.db2.gz LNCUDBOSAIRXJV-UHFFFAOYSA-N 0 0 415.247 4.168 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@H](CO)c3c(Cl)cccc3Cl)o2)c1 ZINC000483237204 898881333 /nfs/dbraw/zinc/88/13/33/898881333.db2.gz AXTCLUHAOVYDGG-MRXNPFEDSA-N 0 0 422.268 4.422 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)NCC2CCC(C(C)(C)C)CC2)cc1OC ZINC000483277637 898914734 /nfs/dbraw/zinc/91/47/34/898914734.db2.gz LARSMDDFCGSTMO-UHFFFAOYSA-N 0 0 422.522 4.211 20 5 HIBDRN Cc1noc(C)c1C(C)(C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000483364157 899001344 /nfs/dbraw/zinc/00/13/44/899001344.db2.gz JTAJBNWNAFNWRC-UHFFFAOYSA-N 0 0 411.256 4.327 20 5 HIBDRN COc1cc(CN(C)Cc2ccc(F)cc2Br)c([N+](=O)[O-])cc1OC ZINC000483418704 899047908 /nfs/dbraw/zinc/04/79/08/899047908.db2.gz GJYFPVKXQDIEBH-UHFFFAOYSA-N 0 0 413.243 4.146 20 5 HIBDRN CCSc1ccc([C@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000505606588 914311036 /nfs/dbraw/zinc/31/10/36/914311036.db2.gz GBQFIBLQYIPRGS-HNNXBMFYSA-N 0 0 415.515 4.352 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)[S@@]1=O ZINC000483441949 899077133 /nfs/dbraw/zinc/07/71/33/899077133.db2.gz QRCLTSGBEUOOQE-LDIIBAJCSA-N 0 0 408.907 4.382 20 5 HIBDRN CCOc1cc(NC(=O)N(CCOC)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000483493614 899148530 /nfs/dbraw/zinc/14/85/30/899148530.db2.gz XFYQWQKUJVOCSP-LSDHHAIUSA-N 0 0 409.483 4.061 20 5 HIBDRN Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000505623831 914323903 /nfs/dbraw/zinc/32/39/03/914323903.db2.gz UYNXGBGUYAZKAP-UHFFFAOYSA-N 0 0 408.845 4.212 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2CCc2ccccc2)cc1SC ZINC000483648747 899304935 /nfs/dbraw/zinc/30/49/35/899304935.db2.gz YBAHNHCRVTVBON-UHFFFAOYSA-N 0 0 412.471 4.017 20 5 HIBDRN CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000483701019 899356991 /nfs/dbraw/zinc/35/69/91/899356991.db2.gz QRDVPSVCLIJMJE-RGCFKVTRSA-N 0 0 401.507 4.116 20 5 HIBDRN COc1c(C(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)cccc1[N+](=O)[O-] ZINC000483709489 899363976 /nfs/dbraw/zinc/36/39/76/899363976.db2.gz KDPKGTRFQQCJPM-UHFFFAOYSA-N 0 0 414.805 4.437 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2C)CCOCC1 ZINC000483719665 899378730 /nfs/dbraw/zinc/37/87/30/899378730.db2.gz CWTWROXXBOWUIN-UHFFFAOYSA-N 0 0 414.527 4.493 20 5 HIBDRN Cc1c(CNC(=O)C(=O)Nc2ccc3c(c2)oc2ccccc23)cccc1[N+](=O)[O-] ZINC000483814074 899491686 /nfs/dbraw/zinc/49/16/86/899491686.db2.gz GEZAXMNIEFHEBJ-UHFFFAOYSA-N 0 0 403.394 4.058 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC ZINC000483821058 899499944 /nfs/dbraw/zinc/49/99/44/899499944.db2.gz UQMSNCOKZDFCLP-NSHDSACASA-N 0 0 410.373 4.095 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc(C)c1C ZINC000483845479 899525853 /nfs/dbraw/zinc/52/58/53/899525853.db2.gz HTIGHHGOMYJHPH-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN Cc1cncn1C1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000505657947 914357443 /nfs/dbraw/zinc/35/74/43/914357443.db2.gz NXQSRXFTRIQQLF-UHFFFAOYSA-N 0 0 420.469 4.156 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)Oc1ccccc1Br ZINC000483858520 899542044 /nfs/dbraw/zinc/54/20/44/899542044.db2.gz VWSUBOWNTRVRQZ-LBPRGKRZSA-N 0 0 408.252 4.255 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000483904331 899574680 /nfs/dbraw/zinc/57/46/80/899574680.db2.gz FQMUHTPBIWTUBZ-JKSUJKDBSA-N 0 0 413.327 4.093 20 5 HIBDRN C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000483940179 899596270 /nfs/dbraw/zinc/59/62/70/899596270.db2.gz ICVOYOPQWIJYNI-NSHDSACASA-N 0 0 413.808 4.453 20 5 HIBDRN COCCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000483943187 899597515 /nfs/dbraw/zinc/59/75/15/899597515.db2.gz KIIUCAQGJFWXNQ-OXJNMPFZSA-N 0 0 403.504 4.380 20 5 HIBDRN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000483951192 899603257 /nfs/dbraw/zinc/60/32/57/899603257.db2.gz DCGYQRUENFLCJV-UHFFFAOYSA-N 0 0 409.364 4.370 20 5 HIBDRN Cc1c(NC(=O)CCN2CCc3cc(Br)ccc3C2)cccc1[N+](=O)[O-] ZINC000483984745 899627903 /nfs/dbraw/zinc/62/79/03/899627903.db2.gz JWJNPVLWAMUZFG-UHFFFAOYSA-N 0 0 418.291 4.053 20 5 HIBDRN O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000484017499 899652336 /nfs/dbraw/zinc/65/23/36/899652336.db2.gz XHVANQQAPZABFZ-HXUWFJFHSA-N 0 0 422.391 4.394 20 5 HIBDRN Cc1c(CNC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cccc1[N+](=O)[O-] ZINC000484017530 899652939 /nfs/dbraw/zinc/65/29/39/899652939.db2.gz NRXRWLVVQNGYKX-NDEPHWFRSA-N 0 0 403.504 4.272 20 5 HIBDRN COc1ccc(F)cc1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000484067456 899699394 /nfs/dbraw/zinc/69/93/94/899699394.db2.gz JXYAJOPLTQXJCV-UHFFFAOYSA-N 0 0 401.419 4.356 20 5 HIBDRN COC(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)c(F)c1 ZINC000484066218 899699633 /nfs/dbraw/zinc/69/96/33/899699633.db2.gz IYWHNNNVJHHDHY-UHFFFAOYSA-N 0 0 415.402 4.205 20 5 HIBDRN COc1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2OC)C(C)(C)C)c(OC)c1 ZINC000484119339 899742606 /nfs/dbraw/zinc/74/26/06/899742606.db2.gz UDZZQYUMNJXBFT-UHFFFAOYSA-N 0 0 402.447 4.062 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(C(F)(F)F)nn3)cc2[N+](=O)[O-])C1 ZINC000484147424 899768289 /nfs/dbraw/zinc/76/82/89/899768289.db2.gz QHKNPMCCUCEZEO-TXEJJXNPSA-N 0 0 423.395 4.138 20 5 HIBDRN CN(C(=O)c1ccn(Cc2ccccc2)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000484171947 899790698 /nfs/dbraw/zinc/79/06/98/899790698.db2.gz DPHAFHCGPJUDBZ-UHFFFAOYSA-N 0 0 419.466 4.240 20 5 HIBDRN Cc1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)o1 ZINC000484189220 899803914 /nfs/dbraw/zinc/80/39/14/899803914.db2.gz JXPLXEVQKMAWJY-UHFFFAOYSA-N 0 0 421.453 4.065 20 5 HIBDRN CC(=O)c1ccc(Oc2cccc(NS(=O)(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000484197642 899808912 /nfs/dbraw/zinc/80/89/12/899808912.db2.gz DBUBCIAQKJGMAW-UHFFFAOYSA-N 0 0 412.423 4.391 20 5 HIBDRN CCc1ccc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000484201318 899810520 /nfs/dbraw/zinc/81/05/20/899810520.db2.gz VOTYGUDJJLADQM-UHFFFAOYSA-N 0 0 401.438 4.176 20 5 HIBDRN O=C(NC[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000484225442 899821956 /nfs/dbraw/zinc/82/19/56/899821956.db2.gz YJCLUSPEPQFTML-AWEZNQCLSA-N 0 0 403.866 4.017 20 5 HIBDRN Cc1noc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C2)n1 ZINC000484280485 899849954 /nfs/dbraw/zinc/84/99/54/899849954.db2.gz NEIIIUPYMMEMIR-HNNXBMFYSA-N 0 0 424.482 4.457 20 5 HIBDRN CC[C@H](C)[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2ccccc2[nH]1 ZINC000484305252 899866360 /nfs/dbraw/zinc/86/63/60/899866360.db2.gz HZOWKUGTBDYOSM-XOBRGWDASA-N 0 0 418.457 4.174 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCN(C3CC3)c3cc(F)ccc32)cc1SC ZINC000484333134 899885099 /nfs/dbraw/zinc/88/50/99/899885099.db2.gz SRUNEMZTZPSOKG-UHFFFAOYSA-N 0 0 417.462 4.094 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2c(Br)ccc(Cl)c21 ZINC000484338306 899889746 /nfs/dbraw/zinc/88/97/46/899889746.db2.gz INWZPRHJTCKIGE-UHFFFAOYSA-N 0 0 410.655 4.307 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000484415768 899934713 /nfs/dbraw/zinc/93/47/13/899934713.db2.gz NRHSQEXEKQXCHO-UHFFFAOYSA-N 0 0 419.469 4.053 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000484444971 899949608 /nfs/dbraw/zinc/94/96/08/899949608.db2.gz VVPLXWSACZHICZ-AWEZNQCLSA-N 0 0 409.417 4.398 20 5 HIBDRN COc1cc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)ccc1[N+](=O)[O-] ZINC000484538179 900022524 /nfs/dbraw/zinc/02/25/24/900022524.db2.gz AZOBSDHPJZTXHE-UHFFFAOYSA-N 0 0 411.414 4.229 20 5 HIBDRN CC1(C)CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@](C)(C(F)(F)F)O1 ZINC000505723464 914404119 /nfs/dbraw/zinc/40/41/19/914404119.db2.gz QVNOOVQIHNCRMC-OAQYLSRUSA-N 0 0 418.415 4.253 20 5 HIBDRN COC(=O)c1cc(O[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)ccc1[N+](=O)[O-] ZINC000484604341 900063863 /nfs/dbraw/zinc/06/38/63/900063863.db2.gz ZXQWFHWCMSXDLD-GFCCVEGCSA-N 0 0 406.822 4.058 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C ZINC000484617062 900072040 /nfs/dbraw/zinc/07/20/40/900072040.db2.gz JXADSULFPCGCAQ-ACJLOTCBSA-N 0 0 412.471 4.398 20 5 HIBDRN CCNc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000484644274 900090384 /nfs/dbraw/zinc/09/03/84/900090384.db2.gz MAWBILIGRWIRFY-ZYHUDNBSSA-N 0 0 410.293 4.137 20 5 HIBDRN COC(=O)[C@H]1CC12CCN(C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)CC2 ZINC000505730144 914409288 /nfs/dbraw/zinc/40/92/88/914409288.db2.gz UNDBXJYHMWMKNE-MRXNPFEDSA-N 0 0 420.531 4.148 20 5 HIBDRN COc1ccc(-c2cc3ncn(Cc4ccc([N+](=O)[O-])c(OC)c4)c(=O)c3s2)cc1 ZINC000484695999 900132264 /nfs/dbraw/zinc/13/22/64/900132264.db2.gz XDKTZSKXEMOKHE-UHFFFAOYSA-N 0 0 423.450 4.099 20 5 HIBDRN CCn1c(SCc2ccc([N+](=O)[O-])c(OC)c2)nnc1-c1ccccc1OC ZINC000484712222 900144420 /nfs/dbraw/zinc/14/44/20/900144420.db2.gz FUMXNCXQFYCBMC-UHFFFAOYSA-N 0 0 400.460 4.183 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000484816662 900218405 /nfs/dbraw/zinc/21/84/05/900218405.db2.gz DEGUFGNYTCQELN-NRFANRHFSA-N 0 0 421.522 4.115 20 5 HIBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000484819340 900222308 /nfs/dbraw/zinc/22/23/08/900222308.db2.gz JMCRCLKMUSLGLB-SFHVURJKSA-N 0 0 414.259 4.483 20 5 HIBDRN Cc1c(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000484822802 900224631 /nfs/dbraw/zinc/22/46/31/900224631.db2.gz RXDVSSXCWZGPTP-OAQYLSRUSA-N 0 0 421.522 4.494 20 5 HIBDRN CCCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCc2ccccc21 ZINC000484861297 900251185 /nfs/dbraw/zinc/25/11/85/900251185.db2.gz GBEFCDQVEQLXDQ-GOSISDBHSA-N 0 0 401.850 4.113 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)c(F)cc2N2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000484893672 900276613 /nfs/dbraw/zinc/27/66/13/900276613.db2.gz IUOMQNNOYREELS-UHFFFAOYSA-N 0 0 421.400 4.133 20 5 HIBDRN C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(OC(F)(F)F)cc1 ZINC000484900516 900280908 /nfs/dbraw/zinc/28/09/08/900280908.db2.gz NQIHWMBZMQHZHZ-NSHDSACASA-N 0 0 408.336 4.394 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000484928772 900300934 /nfs/dbraw/zinc/30/09/34/900300934.db2.gz VQUKYJIGFSKBEJ-JOCHJYFZSA-N 0 0 419.437 4.258 20 5 HIBDRN COc1cccc(C(=O)NC(C)(C)c2ccc(Br)c(C)c2)c1[N+](=O)[O-] ZINC000484976569 900333855 /nfs/dbraw/zinc/33/38/55/900333855.db2.gz VRVMIDFDIIOVHB-UHFFFAOYSA-N 0 0 407.264 4.339 20 5 HIBDRN C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000485038594 900376241 /nfs/dbraw/zinc/37/62/41/900376241.db2.gz YWGBHFXKPXQVSS-STQMWFEESA-N 0 0 419.528 4.298 20 5 HIBDRN CCN(Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000485043814 900379336 /nfs/dbraw/zinc/37/93/36/900379336.db2.gz RVUOXRDKXGRGAN-CYBMUJFWSA-N 0 0 421.881 4.115 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000485101996 900411058 /nfs/dbraw/zinc/41/10/58/900411058.db2.gz IZHUOVOEZDROOM-UHFFFAOYSA-N 0 0 415.515 4.071 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C(C)C)[C@H]3CCOC3)cc2[N+](=O)[O-])n1 ZINC000485133335 900435238 /nfs/dbraw/zinc/43/52/38/900435238.db2.gz ROVUJLWVLKGFKE-AWEZNQCLSA-N 0 0 407.517 4.150 20 5 HIBDRN COC(=O)c1c(F)ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1F ZINC000485156866 900455700 /nfs/dbraw/zinc/45/57/00/900455700.db2.gz GVGUXBFFNGEDDP-UHFFFAOYSA-N 0 0 419.365 4.035 20 5 HIBDRN Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000485222517 900509423 /nfs/dbraw/zinc/50/94/23/900509423.db2.gz XVDQPPUHLKWVPU-GJZGRUSLSA-N 0 0 415.471 4.499 20 5 HIBDRN Cc1csc2nc(CSc3ccc(Br)cc3[N+](=O)[O-])cc(=O)n12 ZINC000485274304 900553850 /nfs/dbraw/zinc/55/38/50/900553850.db2.gz QCFIBVTWTCCEAJ-UHFFFAOYSA-N 0 0 412.290 4.027 20 5 HIBDRN C[C@H](O)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000485289996 900568046 /nfs/dbraw/zinc/56/80/46/900568046.db2.gz YMOLPGACKVJJIU-AWEZNQCLSA-N 0 0 419.909 4.387 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])on1 ZINC000485300007 900578677 /nfs/dbraw/zinc/57/86/77/900578677.db2.gz SQGUYUUCILFMQA-UHFFFAOYSA-N 0 0 414.281 4.374 20 5 HIBDRN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H](c1ccccc1)C(F)(F)F ZINC000485319245 900599172 /nfs/dbraw/zinc/59/91/72/900599172.db2.gz MGFPSRLLUKATBY-QGZVFWFLSA-N 0 0 404.348 4.156 20 5 HIBDRN CCc1occc1C(=O)N(CCOC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000485391481 900687439 /nfs/dbraw/zinc/68/74/39/900687439.db2.gz XSOULFNCUJVOTM-UHFFFAOYSA-N 0 0 401.444 4.167 20 5 HIBDRN Cc1c(NS(=O)(=O)C[C@@H](C)c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000485393943 900690433 /nfs/dbraw/zinc/69/04/33/900690433.db2.gz DTCYQTJQYNYUJT-LLVKDONJSA-N 0 0 413.293 4.211 20 5 HIBDRN O=[N+]([O-])c1ccc(NCCCS(=O)(=O)c2ccccc2)nc1-c1ccc(F)cc1 ZINC000485393083 900690710 /nfs/dbraw/zinc/69/07/10/900690710.db2.gz KNVLXSNDFFCCNU-UHFFFAOYSA-N 0 0 415.446 4.072 20 5 HIBDRN COc1cc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cc(OC)c1OC ZINC000485395670 900692301 /nfs/dbraw/zinc/69/23/01/900692301.db2.gz GREAEJHCOLBXNC-UHFFFAOYSA-N 0 0 413.405 4.434 20 5 HIBDRN Cc1cc([C@@H]2CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1Br ZINC000485404230 900702171 /nfs/dbraw/zinc/70/21/71/900702171.db2.gz JFDYZEZUTOIJBF-HNNXBMFYSA-N 0 0 404.264 4.106 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CC(n3cc(-c4ccccc4)nn3)C2)nc1-c1ccc(F)cc1 ZINC000485418917 900716835 /nfs/dbraw/zinc/71/68/35/900716835.db2.gz RBICLWSBLPJXCX-UHFFFAOYSA-N 0 0 416.416 4.116 20 5 HIBDRN Cc1c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2nn1C ZINC000485452266 900747365 /nfs/dbraw/zinc/74/73/65/900747365.db2.gz QZQRXQMROAATSQ-UHFFFAOYSA-N 0 0 407.474 4.279 20 5 HIBDRN C[S@@](=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000485485212 900776026 /nfs/dbraw/zinc/77/60/26/900776026.db2.gz ANMGJFKPVYYCGX-GDLZYMKVSA-N 0 0 410.451 4.164 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1[N+](=O)[O-] ZINC000485491308 900781347 /nfs/dbraw/zinc/78/13/47/900781347.db2.gz ONNBGEYSCRDDKW-LLVKDONJSA-N 0 0 409.870 4.118 20 5 HIBDRN O=C(Nc1ccc(-c2cncnc2)cc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000485491494 900781485 /nfs/dbraw/zinc/78/14/85/900781485.db2.gz PMKWNXIXYNCAFK-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485497916 900786653 /nfs/dbraw/zinc/78/66/53/900786653.db2.gz VUKZJANHOFIVRA-RDJZCZTQSA-N 0 0 405.907 4.145 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])OC(C)C ZINC000485497740 900787064 /nfs/dbraw/zinc/78/70/64/900787064.db2.gz UYAWOKZXRDEDTM-KRWDZBQOSA-N 0 0 404.488 4.221 20 5 HIBDRN CSc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000485501232 900789807 /nfs/dbraw/zinc/78/98/07/900789807.db2.gz FVHSRVPQBIEOIX-UHFFFAOYSA-N 0 0 422.528 4.282 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1[N+](=O)[O-] ZINC000485502589 900791181 /nfs/dbraw/zinc/79/11/81/900791181.db2.gz HQSRKFNVLKAKID-SECBINFHSA-N 0 0 416.425 4.183 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(c2c(F)cccc2F)CC1 ZINC000485540267 900816236 /nfs/dbraw/zinc/81/62/36/900816236.db2.gz MFZOSHJWBIVVOO-UHFFFAOYSA-N 0 0 412.339 4.494 20 5 HIBDRN COc1ccc(Cl)cc1N(C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485548569 900823266 /nfs/dbraw/zinc/82/32/66/900823266.db2.gz QZCVDEKZJQGMSG-UHFFFAOYSA-N 0 0 405.657 4.357 20 5 HIBDRN Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000485568033 900837964 /nfs/dbraw/zinc/83/79/64/900837964.db2.gz IHULHHVEGWYLPL-ROUUACIJSA-N 0 0 413.474 4.004 20 5 HIBDRN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000485582150 900847765 /nfs/dbraw/zinc/84/77/65/900847765.db2.gz QXBSJBSBSYWOBL-CQSZACIVSA-N 0 0 415.515 4.121 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])cc1OC(F)F ZINC000485645390 900896250 /nfs/dbraw/zinc/89/62/50/900896250.db2.gz QQVZASNRUFKALX-VIFPVBQESA-N 0 0 423.397 4.306 20 5 HIBDRN Cc1cc(Br)cc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000485672506 900923067 /nfs/dbraw/zinc/92/30/67/900923067.db2.gz LDWSAKJUTADDHJ-UHFFFAOYSA-N 0 0 416.231 4.231 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(Cc2ccccc2F)CC1 ZINC000485680048 900930988 /nfs/dbraw/zinc/93/09/88/900930988.db2.gz DGEBZBSVRBASDL-UHFFFAOYSA-N 0 0 408.376 4.430 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)cc([N+](=O)[O-])c1C ZINC000485682804 900934101 /nfs/dbraw/zinc/93/41/01/900934101.db2.gz GNKVKIFPABRMBX-UHFFFAOYSA-N 0 0 408.414 4.400 20 5 HIBDRN O=C(c1cccnc1OCc1ccccc1F)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000485724326 900974966 /nfs/dbraw/zinc/97/49/66/900974966.db2.gz JRYBRNUDZIVPCB-UHFFFAOYSA-N 0 0 407.401 4.301 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000485731917 900983730 /nfs/dbraw/zinc/98/37/30/900983730.db2.gz ISVPLDRRUSCIOR-ZIAGYGMSSA-N 0 0 401.488 4.183 20 5 HIBDRN CCOC(=O)C1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000505847889 914496231 /nfs/dbraw/zinc/49/62/31/914496231.db2.gz IMSCDPKYDWPNIK-UHFFFAOYSA-N 0 0 402.422 4.301 20 5 HIBDRN CSc1cccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)c1[N+](=O)[O-] ZINC000485747186 901002591 /nfs/dbraw/zinc/00/25/91/901002591.db2.gz KYBXNYCZZWHCCD-UHFFFAOYSA-N 0 0 408.426 4.279 20 5 HIBDRN COCCN(C(=O)c1cccc(SC)c1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000485762483 901019085 /nfs/dbraw/zinc/01/90/85/901019085.db2.gz INANIIINDPDTPN-UHFFFAOYSA-N 0 0 403.485 4.220 20 5 HIBDRN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485762226 901019407 /nfs/dbraw/zinc/01/94/07/901019407.db2.gz HJTFJVFSOKSYQI-UNMCSNQZSA-N 0 0 412.486 4.497 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N(c3ccccc3)[C@@H]3CCOC3)cc2[N+](=O)[O-])C1 ZINC000485806416 901057054 /nfs/dbraw/zinc/05/70/54/901057054.db2.gz PJPPYRZMFWWJST-FXAWDEMLSA-N 0 0 409.486 4.267 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCO[C@@H](C2CC2)C1 ZINC000485809427 901060031 /nfs/dbraw/zinc/06/00/31/901060031.db2.gz BYRWCNADXMPQFA-UXHICEINSA-N 0 0 415.877 4.039 20 5 HIBDRN COc1cc(OCc2nc(-c3cccc(Br)c3C)no2)ccc1[N+](=O)[O-] ZINC000485858854 901100271 /nfs/dbraw/zinc/10/02/71/901100271.db2.gz YJESBUTVXNBVOG-UHFFFAOYSA-N 0 0 420.219 4.303 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1ccccc1)CC(F)F ZINC000485892089 901124321 /nfs/dbraw/zinc/12/43/21/901124321.db2.gz GKGPGBYBFDHABH-UHFFFAOYSA-N 0 0 405.220 4.326 20 5 HIBDRN COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)cc1[N+](=O)[O-] ZINC000485904230 901133992 /nfs/dbraw/zinc/13/39/92/901133992.db2.gz FXIZKXZBNTWPJU-UHFFFAOYSA-N 0 0 412.833 4.184 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000485925246 901150922 /nfs/dbraw/zinc/15/09/22/901150922.db2.gz LNBSRIOTNMOBGJ-ZVDOUQERSA-N 0 0 400.500 4.083 20 5 HIBDRN CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485940207 901161217 /nfs/dbraw/zinc/16/12/17/901161217.db2.gz OFBPVCYTPZRFIG-MRXNPFEDSA-N 0 0 421.400 4.135 20 5 HIBDRN COCc1cc([N+](=O)[O-])ccc1N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000485951817 901171485 /nfs/dbraw/zinc/17/14/85/901171485.db2.gz CHQNWMHQHVXUPG-MRXNPFEDSA-N 0 0 412.490 4.171 20 5 HIBDRN COC(=O)c1cc(NC(=O)CCCc2nc3ccccc3s2)c(C)c([N+](=O)[O-])c1 ZINC000485956002 901174731 /nfs/dbraw/zinc/17/47/31/901174731.db2.gz OWBTUYVUSYDXPY-UHFFFAOYSA-N 0 0 413.455 4.261 20 5 HIBDRN COc1ccc(Sc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2Cl)cc1 ZINC000485968104 901183931 /nfs/dbraw/zinc/18/39/31/901183931.db2.gz QJULESSCDSJUHT-UHFFFAOYSA-N 0 0 404.835 4.383 20 5 HIBDRN COC(=O)c1cc(NC(=O)CSCc2cccc(Cl)c2)c(C)c([N+](=O)[O-])c1 ZINC000485977241 901195259 /nfs/dbraw/zinc/19/52/59/901195259.db2.gz TYQSAEFBLCWJMV-UHFFFAOYSA-N 0 0 408.863 4.215 20 5 HIBDRN COc1ccccc1C(C)(C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000486013114 901223203 /nfs/dbraw/zinc/22/32/03/901223203.db2.gz FFJYCCWNFLORFF-UHFFFAOYSA-N 0 0 412.364 4.210 20 5 HIBDRN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000486015591 901224372 /nfs/dbraw/zinc/22/43/72/901224372.db2.gz IYHPPHJLAIGUSD-UHFFFAOYSA-N 0 0 416.865 4.147 20 5 HIBDRN O=C([C@H]1COc2ccc(Br)cc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486019919 901226876 /nfs/dbraw/zinc/22/68/76/901226876.db2.gz WNRWDOOASHMKBI-KRWDZBQOSA-N 0 0 417.259 4.025 20 5 HIBDRN Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1-c1ccc(F)cc1F ZINC000486020133 901227581 /nfs/dbraw/zinc/22/75/81/901227581.db2.gz WPZLTDWTSPJNQU-UHFFFAOYSA-N 0 0 412.396 4.172 20 5 HIBDRN COc1cccc(C(NCc2ccc([N+](=O)[O-])c(OC)c2)c2cccc(OC)c2)c1 ZINC000486026427 901233746 /nfs/dbraw/zinc/23/37/46/901233746.db2.gz FBAUXLLYQQTYFO-UHFFFAOYSA-N 0 0 408.454 4.500 20 5 HIBDRN O=[N+]([O-])c1ccn(C2CCN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)CC2)n1 ZINC000486030079 901234695 /nfs/dbraw/zinc/23/46/95/901234695.db2.gz PURQSWPSODWMMX-UHFFFAOYSA-N 0 0 424.530 4.394 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)s1 ZINC000486034714 901238939 /nfs/dbraw/zinc/23/89/39/901238939.db2.gz HTUOFFUPNADTQT-OAGGEKHMSA-N 0 0 406.529 4.222 20 5 HIBDRN COc1ccc(SCCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC ZINC000486043430 901244157 /nfs/dbraw/zinc/24/41/57/901244157.db2.gz JBYLIKBOVQEFAQ-UHFFFAOYSA-N 0 0 416.499 4.285 20 5 HIBDRN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000486047448 901247522 /nfs/dbraw/zinc/24/75/22/901247522.db2.gz VPGJGCKYEIVGJC-SFHVURJKSA-N 0 0 422.485 4.030 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(C)cc1Br ZINC000486071894 901264951 /nfs/dbraw/zinc/26/49/51/901264951.db2.gz AYCHSTDZQPNHMP-UHFFFAOYSA-N 0 0 408.252 4.115 20 5 HIBDRN CC(=O)CCc1ccc(O[C@H](C)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000486072990 901265008 /nfs/dbraw/zinc/26/50/08/901265008.db2.gz YSLPIVLSBRXTFK-QGZVFWFLSA-N 0 0 410.470 4.075 20 5 HIBDRN O=C(NC[C@H]1CCC2(CCCCC2)O1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486096309 901284599 /nfs/dbraw/zinc/28/45/99/901284599.db2.gz WLORVFLOYOSDNV-SNVBAGLBSA-N 0 0 403.298 4.031 20 5 HIBDRN O=C(Nc1ccc(Oc2ccccc2)nc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000486104134 901292236 /nfs/dbraw/zinc/29/22/36/901292236.db2.gz JBQCQWPGYDTDIC-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486118585 901304571 /nfs/dbraw/zinc/30/45/71/901304571.db2.gz TYUPHSDGPJBCQS-WCQYABFASA-N 0 0 411.277 4.069 20 5 HIBDRN Cc1cc(CN(CC(C)C)C(=O)c2ccc([N+](=O)[O-])s2)nc(N2CCCCC2)n1 ZINC000486137676 901325165 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BKQNZZLHFQURQQ-UHFFFAOYSA-N 0 0 419.441 4.262 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000489607718 903495644 /nfs/dbraw/zinc/49/56/44/903495644.db2.gz VUBTXFCZVASUET-ZBFHGGJFSA-N 0 0 418.490 4.491 20 5 HIBDRN CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000489614423 903498232 /nfs/dbraw/zinc/49/82/32/903498232.db2.gz BRHLNWWJEOZSJG-UHFFFAOYSA-N 0 0 421.251 4.059 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)c(C)c([N+](=O)[O-])c1 ZINC000489759246 903583849 /nfs/dbraw/zinc/58/38/49/903583849.db2.gz XVEUVFIURRNZBJ-UHFFFAOYSA-N 0 0 415.789 4.251 20 5 HIBDRN Cc1csc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1Br ZINC000489807342 903605265 /nfs/dbraw/zinc/60/52/65/903605265.db2.gz MAAZABFQMDRKKI-UHFFFAOYSA-N 0 0 406.261 4.258 20 5 HIBDRN O=C(Nc1cccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1)C1CCC1 ZINC000489840341 903623676 /nfs/dbraw/zinc/62/36/76/903623676.db2.gz KXPMQSMJBSXIMB-UHFFFAOYSA-N 0 0 422.485 4.208 20 5 HIBDRN C[C@H](c1nc(-c2ccccc2)no1)N1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000489847553 903629592 /nfs/dbraw/zinc/62/95/92/903629592.db2.gz OYCPHIVZOBYJQH-IAGOWNOFSA-N 0 0 407.474 4.085 20 5 HIBDRN CC[C@H](NC(=O)NCc1cccc(NC(=O)C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000489869110 903640498 /nfs/dbraw/zinc/64/04/98/903640498.db2.gz FWROMUINRWUPMD-FQEVSTJZSA-N 0 0 410.474 4.284 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CCNC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 ZINC000489881031 903649325 /nfs/dbraw/zinc/64/93/25/903649325.db2.gz LUJSPKBEGGMWPR-SFHVURJKSA-N 0 0 421.501 4.309 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2cccc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000489882198 903649435 /nfs/dbraw/zinc/64/94/35/903649435.db2.gz GPWHIMPQWNLSGK-ZDUSSCGKSA-N 0 0 411.380 4.405 20 5 HIBDRN COc1cc([C@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000489910511 903669122 /nfs/dbraw/zinc/66/91/22/903669122.db2.gz NBWYBLYVEJVPEW-KGLIPLIRSA-N 0 0 417.462 4.050 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000489954552 903695842 /nfs/dbraw/zinc/69/58/42/903695842.db2.gz FUAPBCBTRTWUTK-MUUNZHRXSA-N 0 0 420.556 4.353 20 5 HIBDRN Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000489986495 903714165 /nfs/dbraw/zinc/71/41/65/903714165.db2.gz ZWLLZCJRYFWTAE-UHFFFAOYSA-N 0 0 422.528 4.307 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)c1[N+](=O)[O-] ZINC000490011847 903722776 /nfs/dbraw/zinc/72/27/76/903722776.db2.gz KXVCQTYZEAJARX-UHFFFAOYSA-N 0 0 420.347 4.275 20 5 HIBDRN O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000490027489 903729984 /nfs/dbraw/zinc/72/99/84/903729984.db2.gz BQEWDDBGYUKGOH-UHFFFAOYSA-N 0 0 421.482 4.085 20 5 HIBDRN Cc1cc(Br)c2c(c1)CN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000490029062 903731995 /nfs/dbraw/zinc/73/19/95/903731995.db2.gz VNBYRUHLRJDENV-GFCCVEGCSA-N 0 0 421.266 4.493 20 5 HIBDRN COc1ccc(F)cc1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000490048049 903741509 /nfs/dbraw/zinc/74/15/09/903741509.db2.gz UYXGVKWKKUPVST-CQSZACIVSA-N 0 0 424.432 4.241 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000490158907 903800398 /nfs/dbraw/zinc/80/03/98/903800398.db2.gz VHIJOBQBBQWHPF-ZDUSSCGKSA-N 0 0 423.903 4.384 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000490159903 903801380 /nfs/dbraw/zinc/80/13/80/903801380.db2.gz UIJPENBYIWZWCD-MSOLQXFVSA-N 0 0 405.454 4.364 20 5 HIBDRN CCc1oc2ccccc2c1CN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000490185095 903814823 /nfs/dbraw/zinc/81/48/23/903814823.db2.gz RRPRLOIHHJEPPZ-UHFFFAOYSA-N 0 0 408.863 4.378 20 5 HIBDRN O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000490200385 903824389 /nfs/dbraw/zinc/82/43/89/903824389.db2.gz HJNCECSYLHHBPJ-IRXDYDNUSA-N 0 0 400.500 4.135 20 5 HIBDRN O=C(Nc1csc2ccccc12)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000490246742 903851727 /nfs/dbraw/zinc/85/17/27/903851727.db2.gz NJJUGLXSLJDEQQ-ZDUSSCGKSA-N 0 0 401.469 4.114 20 5 HIBDRN Cc1c(CC(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490300197 903887804 /nfs/dbraw/zinc/88/78/04/903887804.db2.gz OSABACJQTWTCNY-KNQAVFIVSA-N 0 0 417.456 4.064 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(/C=C\c2ccco2)s1 ZINC000490341626 903933393 /nfs/dbraw/zinc/93/33/93/903933393.db2.gz FNLGLOJCCHNKNM-DHHDDZJSSA-N 0 0 402.457 4.329 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000490365460 903957881 /nfs/dbraw/zinc/95/78/81/903957881.db2.gz KJVYUMMBOXUUPQ-CHWSQXEVSA-N 0 0 418.240 4.429 20 5 HIBDRN C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)Cc2ccccc2O1 ZINC000490376881 903970284 /nfs/dbraw/zinc/97/02/84/903970284.db2.gz RQKKVXAIUJAZAU-LBPRGKRZSA-N 0 0 409.364 4.106 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(Cc2ccccc2CO)CC1 ZINC000490386260 903977075 /nfs/dbraw/zinc/97/70/75/903977075.db2.gz NIJQOPIBIVWWEV-UHFFFAOYSA-N 0 0 422.403 4.201 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Cc2ccccc2CO)CC1 ZINC000490390081 903978325 /nfs/dbraw/zinc/97/83/25/903978325.db2.gz OXUZFSXQPPQPQO-MRXNPFEDSA-N 0 0 414.527 4.049 20 5 HIBDRN O=C(CCc1ccc(Cl)c(Cl)c1)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000490399274 903984583 /nfs/dbraw/zinc/98/45/83/903984583.db2.gz NVRCDCHBGWZNBU-UHFFFAOYSA-N 0 0 406.229 4.258 20 5 HIBDRN COc1cc(CN2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000490402342 903985452 /nfs/dbraw/zinc/98/54/52/903985452.db2.gz NAZGCJDHYIQDFM-DYVFJYSZSA-N 0 0 402.463 4.107 20 5 HIBDRN C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000490407091 903991177 /nfs/dbraw/zinc/99/11/77/903991177.db2.gz IYFLKERDGXLXHR-LLVKDONJSA-N 0 0 407.268 4.048 20 5 HIBDRN O=C(c1c(F)cc(Br)cc1F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490431431 904005672 /nfs/dbraw/zinc/00/56/72/904005672.db2.gz JYBVKSVOQHMNJQ-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000506068892 914773108 /nfs/dbraw/zinc/77/31/08/914773108.db2.gz BONVAEXXFLZYBC-LJQANCHMSA-N 0 0 411.845 4.366 20 5 HIBDRN O=C(Nc1cc(F)cc(Br)c1F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000490486176 904037978 /nfs/dbraw/zinc/03/79/78/904037978.db2.gz VFAVXQGTHAYPOK-UHFFFAOYSA-N 0 0 412.190 4.226 20 5 HIBDRN O=C(Nc1ccc(-c2ccco2)cc1F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000490493991 904047008 /nfs/dbraw/zinc/04/70/08/904047008.db2.gz BKYMDHKCWJIQNT-UHFFFAOYSA-N 0 0 410.405 4.348 20 5 HIBDRN CC(C)(C(=O)Nc1cccc2c1CN(c1ccccn1)C2)c1ccccc1[N+](=O)[O-] ZINC000490542304 904087833 /nfs/dbraw/zinc/08/78/33/904087833.db2.gz IOCBSVPEUFPUCB-UHFFFAOYSA-N 0 0 402.454 4.426 20 5 HIBDRN Cc1c(CNC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cccc1[N+](=O)[O-] ZINC000490554362 904097149 /nfs/dbraw/zinc/09/71/49/904097149.db2.gz GUPAKBMGPCLCMS-UHFFFAOYSA-N 0 0 405.867 4.340 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2csc3ccccc23)ccc1[N+](=O)[O-] ZINC000490781388 904229936 /nfs/dbraw/zinc/22/99/36/904229936.db2.gz HIKWMVULQUGMAE-SFHVURJKSA-N 0 0 409.467 4.361 20 5 HIBDRN Cc1cc(N2CCCC2)ccc1NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490790778 904237439 /nfs/dbraw/zinc/23/74/39/904237439.db2.gz HMFWRRQYASORRO-UHFFFAOYSA-N 0 0 408.502 4.107 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc2nccnc2c1Br)c1cccc([N+](=O)[O-])c1 ZINC000490791326 904237523 /nfs/dbraw/zinc/23/75/23/904237523.db2.gz GFULIJUOIIJYLU-SNVBAGLBSA-N 0 0 416.235 4.183 20 5 HIBDRN Nc1nc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc2sc3c(c21)CCCC3 ZINC000490790781 904237844 /nfs/dbraw/zinc/23/78/44/904237844.db2.gz GFKKGMLUZNMJBZ-UHFFFAOYSA-N 0 0 409.515 4.225 20 5 HIBDRN COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000490830753 904273682 /nfs/dbraw/zinc/27/36/82/904273682.db2.gz XFURVBMHIKYFNV-UHFFFAOYSA-N 0 0 400.431 4.221 20 5 HIBDRN C[C@H](Nc1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000490901931 904310232 /nfs/dbraw/zinc/31/02/32/904310232.db2.gz QOONMGFVHFFBIG-KBPBESRZSA-N 0 0 419.865 4.103 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000490929044 904323005 /nfs/dbraw/zinc/32/30/05/904323005.db2.gz UPOLUXULFQGRDA-QGZVFWFLSA-N 0 0 405.376 4.471 20 5 HIBDRN CCn1c2cc(F)ccc2nc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000490981097 904349496 /nfs/dbraw/zinc/34/94/96/904349496.db2.gz UABXSVCOLYEPSN-UHFFFAOYSA-N 0 0 414.440 4.302 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1[N+](=O)[O-] ZINC000491008308 904368814 /nfs/dbraw/zinc/36/88/14/904368814.db2.gz YOIKCQAJUOAYRK-HNNXBMFYSA-N 0 0 415.515 4.349 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000491033337 904386046 /nfs/dbraw/zinc/38/60/46/904386046.db2.gz HNTXZWYPVLXJPP-MRXNPFEDSA-N 0 0 424.526 4.291 20 5 HIBDRN CCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000506116334 914809453 /nfs/dbraw/zinc/80/94/53/914809453.db2.gz VLYXINSNVHJYPO-UHFFFAOYSA-N 0 0 416.865 4.318 20 5 HIBDRN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)C1CCCC1 ZINC000491085527 904421285 /nfs/dbraw/zinc/42/12/85/904421285.db2.gz ICLWKNNRTCEICA-UHFFFAOYSA-N 0 0 402.472 4.180 20 5 HIBDRN COc1cc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491092937 904422449 /nfs/dbraw/zinc/42/24/49/904422449.db2.gz UQDNHHNVVDLQCV-VLIAUNLRSA-N 0 0 422.428 4.209 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)C1(Cc2ccccc2Br)CC1 ZINC000491207031 904482008 /nfs/dbraw/zinc/48/20/08/904482008.db2.gz IEABOHALUVMJDY-UHFFFAOYSA-N 0 0 403.276 4.039 20 5 HIBDRN CCCCOc1c(Cl)cc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000491217436 904485748 /nfs/dbraw/zinc/48/57/48/904485748.db2.gz HWVUMQGUDCSROY-UHFFFAOYSA-N 0 0 422.865 4.374 20 5 HIBDRN COc1ccc(CNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1[N+](=O)[O-] ZINC000491252876 904502440 /nfs/dbraw/zinc/50/24/40/904502440.db2.gz CVCPLPSFLLKBDZ-UHFFFAOYSA-N 0 0 415.446 4.028 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1noc(-c2ccccc2)n1 ZINC000491323695 904537615 /nfs/dbraw/zinc/53/76/15/904537615.db2.gz PZMQVKKUCDNTES-CQSZACIVSA-N 0 0 407.430 4.080 20 5 HIBDRN O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491397577 904577709 /nfs/dbraw/zinc/57/77/09/904577709.db2.gz UPBNSSURCJYMBQ-FGZHOGPDSA-N 0 0 409.486 4.407 20 5 HIBDRN CCOCCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000491481749 904618406 /nfs/dbraw/zinc/61/84/06/904618406.db2.gz NQAZMELJENHTSO-UHFFFAOYSA-N 0 0 409.236 4.025 20 5 HIBDRN Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)c2)n1 ZINC000491546357 904645579 /nfs/dbraw/zinc/64/55/79/904645579.db2.gz MORXTNVFBGPREY-UHFFFAOYSA-N 0 0 401.444 4.284 20 5 HIBDRN COc1ccc(CN(Cc2ccccc2)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000491687150 904684774 /nfs/dbraw/zinc/68/47/74/904684774.db2.gz XFLCCKBXPOIZFS-UHFFFAOYSA-N 0 0 406.438 4.455 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)cc([N+](=O)[O-])c1 ZINC000491903347 904727070 /nfs/dbraw/zinc/72/70/70/904727070.db2.gz VTSAPMFZDHUGJJ-INIZCTEOSA-N 0 0 422.359 4.468 20 5 HIBDRN CCOc1cc(CSc2nnc(Cc3ccc(OC)cc3)o2)ccc1[N+](=O)[O-] ZINC000491956017 904741604 /nfs/dbraw/zinc/74/16/04/904741604.db2.gz LYWXEKMZYWLALG-UHFFFAOYSA-N 0 0 401.444 4.268 20 5 HIBDRN O=C(NC[C@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000491973931 904746351 /nfs/dbraw/zinc/74/63/51/904746351.db2.gz AAQVBBDXOXYLJR-CQSZACIVSA-N 0 0 420.872 4.421 20 5 HIBDRN COCCN(Cc1ccco1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000506192932 914839863 /nfs/dbraw/zinc/83/98/63/914839863.db2.gz WGMFUDGMCXURJE-INIZCTEOSA-N 0 0 424.457 4.045 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000506201272 914843135 /nfs/dbraw/zinc/84/31/35/914843135.db2.gz AUTKGUAEPHZUQG-OAHLLOKOSA-N 0 0 424.432 4.111 20 5 HIBDRN COc1cc(OCC(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)ccc1[N+](=O)[O-] ZINC000492079979 904792744 /nfs/dbraw/zinc/79/27/44/904792744.db2.gz MAHCGICTQGEDTA-AWEZNQCLSA-N 0 0 410.348 4.065 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc(OCc3cccnc3)cc2)no1 ZINC000492088755 904796932 /nfs/dbraw/zinc/79/69/32/904796932.db2.gz WUOHECLZXZZMAL-UHFFFAOYSA-N 0 0 404.382 4.294 20 5 HIBDRN COc1ccc(Cl)cc1CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000492142654 904805116 /nfs/dbraw/zinc/80/51/16/904805116.db2.gz LGMJZMQFVJQZIH-UHFFFAOYSA-N 0 0 416.808 4.199 20 5 HIBDRN C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl ZINC000492154111 904807023 /nfs/dbraw/zinc/80/70/23/904807023.db2.gz SEZDZSMIYKMUPX-LLVKDONJSA-N 0 0 403.287 4.125 20 5 HIBDRN CCCOc1ccc(C(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000492457273 904851914 /nfs/dbraw/zinc/85/19/14/904851914.db2.gz ONPCMRIDFQBABJ-UHFFFAOYSA-N 0 0 410.348 4.015 20 5 HIBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H](CCCCc1ccccc1)c1ccccc1 ZINC000492511950 904860896 /nfs/dbraw/zinc/86/08/96/904860896.db2.gz RRUCKCHJCFQPMP-OAQYLSRUSA-N 0 0 419.481 4.027 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000492675925 904887041 /nfs/dbraw/zinc/88/70/41/904887041.db2.gz BFLADOMHYMXKBW-INIZCTEOSA-N 0 0 404.348 4.198 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCc4[nH]cnc4C3)cc2[N+](=O)[O-])cc1 ZINC000492693253 904889029 /nfs/dbraw/zinc/88/90/29/904889029.db2.gz VMJRADCFGGSTCX-HNNXBMFYSA-N 0 0 408.483 4.065 20 5 HIBDRN CCOc1cc(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000492719760 904893259 /nfs/dbraw/zinc/89/32/59/904893259.db2.gz FUMRDPBKWIBOSG-IBGZPJMESA-N 0 0 408.401 4.168 20 5 HIBDRN O=C(c1cccc(OCc2cscn2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492772207 904899852 /nfs/dbraw/zinc/89/98/52/904899852.db2.gz NRBZJBNPRVDTBL-UHFFFAOYSA-N 0 0 409.467 4.435 20 5 HIBDRN O=C(CCOc1ccccc1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493080527 905013724 /nfs/dbraw/zinc/01/37/24/905013724.db2.gz PBKCJGRDMAYEOW-UHFFFAOYSA-N 0 0 419.275 4.317 20 5 HIBDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000493163293 905036865 /nfs/dbraw/zinc/03/68/65/905036865.db2.gz XRKRWBWCYMNAIG-HNNXBMFYSA-N 0 0 401.463 4.213 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc1[N+](=O)[O-] ZINC000493160542 905037674 /nfs/dbraw/zinc/03/76/74/905037674.db2.gz UBVQHGMAXRJNAG-CRAIPNDOSA-N 0 0 411.458 4.282 20 5 HIBDRN Cc1ccc([C@H](NCc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493234656 905058205 /nfs/dbraw/zinc/05/82/05/905058205.db2.gz WGWBIALBVKNSHH-QFIPXVFZSA-N 0 0 410.495 4.186 20 5 HIBDRN COc1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493240759 905062323 /nfs/dbraw/zinc/06/23/23/905062323.db2.gz XAEYEEUGPQUZMS-UHFFFAOYSA-N 0 0 403.866 4.108 20 5 HIBDRN COCCOc1ccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000493241693 905063842 /nfs/dbraw/zinc/06/38/42/905063842.db2.gz ZGUUDFITVLMALX-CYBMUJFWSA-N 0 0 407.854 4.465 20 5 HIBDRN C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000493321180 905087154 /nfs/dbraw/zinc/08/71/54/905087154.db2.gz NWOWGXBOLVRONI-AWEZNQCLSA-N 0 0 401.426 4.350 20 5 HIBDRN O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000506269415 914874018 /nfs/dbraw/zinc/87/40/18/914874018.db2.gz NCXODGVNEMHNCT-CQSZACIVSA-N 0 0 405.401 4.047 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000493601394 905170701 /nfs/dbraw/zinc/17/07/01/905170701.db2.gz BYDNURNFWAIRHQ-UHFFFAOYSA-N 0 0 407.655 4.381 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000512387894 921124696 /nfs/dbraw/zinc/12/46/96/921124696.db2.gz WEBRUWNARVLZTF-GOSISDBHSA-N 0 0 412.339 4.090 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000493776965 905217677 /nfs/dbraw/zinc/21/76/77/905217677.db2.gz RABZFAQJRIFVCY-GFCCVEGCSA-N 0 0 411.355 4.152 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000493898266 905254574 /nfs/dbraw/zinc/25/45/74/905254574.db2.gz VLJBMPPFPUWMLW-MRXNPFEDSA-N 0 0 403.438 4.386 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000493917230 905267736 /nfs/dbraw/zinc/26/77/36/905267736.db2.gz PVWNHBZTMOJVMU-ZDUSSCGKSA-N 0 0 419.865 4.160 20 5 HIBDRN COc1cc(CSCc2ncnn2-c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000512396963 921133079 /nfs/dbraw/zinc/13/30/79/921133079.db2.gz XRCHCGILQLSFDX-UHFFFAOYSA-N 0 0 422.413 4.219 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)cc1[N+](=O)[O-] ZINC000493937508 905290443 /nfs/dbraw/zinc/29/04/43/905290443.db2.gz QWERYKAAZYNXSI-HNNXBMFYSA-N 0 0 411.458 4.041 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000512398102 921134137 /nfs/dbraw/zinc/13/41/37/921134137.db2.gz LEUVUTQWRLGHHY-FQEVSTJZSA-N 0 0 401.825 4.369 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000494014311 905352177 /nfs/dbraw/zinc/35/21/77/905352177.db2.gz CLMNGOVKPMRLML-CTNGQTDRSA-N 0 0 405.458 4.458 20 5 HIBDRN COc1cccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1O ZINC000494105652 905440089 /nfs/dbraw/zinc/44/00/89/905440089.db2.gz LQJWDOLSIBLKPF-CYBMUJFWSA-N 0 0 408.414 4.129 20 5 HIBDRN CC(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000494105432 905440733 /nfs/dbraw/zinc/44/07/33/905440733.db2.gz KDJALTHIYLGTLA-OALUTQOASA-N 0 0 423.847 4.480 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)o1 ZINC000494108236 905455915 /nfs/dbraw/zinc/45/59/15/905455915.db2.gz OQBJHFHYXSYSDI-UHFFFAOYSA-N 0 0 407.430 4.404 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)cc1F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000512445995 921167686 /nfs/dbraw/zinc/16/76/86/921167686.db2.gz IUKIGXRZRPROFJ-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(-n2cccn2)cc1 ZINC000494401381 905693140 /nfs/dbraw/zinc/69/31/40/905693140.db2.gz AMINFWMMQUMMDF-MRXNPFEDSA-N 0 0 405.458 4.216 20 5 HIBDRN C[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000494413575 905701618 /nfs/dbraw/zinc/70/16/18/905701618.db2.gz TVMXYGFGDRZZQL-VHSXEESVSA-N 0 0 402.398 4.138 20 5 HIBDRN O=[N+]([O-])c1cc(CN[C@@H](c2ccc(F)cc2)c2cnccn2)cc(C(F)(F)F)c1 ZINC000494449924 905733338 /nfs/dbraw/zinc/73/33/38/905733338.db2.gz ZANOBGATATUSGD-SFHVURJKSA-N 0 0 406.339 4.422 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000512459407 921175985 /nfs/dbraw/zinc/17/59/85/921175985.db2.gz GZNLYZSPEIWRID-UHFFFAOYSA-N 0 0 401.466 4.396 20 5 HIBDRN Cn1cc([C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2cccc(F)c2)cn1 ZINC000494495625 905784044 /nfs/dbraw/zinc/78/40/44/905784044.db2.gz NGZKEFHBQZHXQR-SFHVURJKSA-N 0 0 408.355 4.365 20 5 HIBDRN Cc1ccc(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1C(=O)N1CCCCC1 ZINC000494516282 905807175 /nfs/dbraw/zinc/80/71/75/905807175.db2.gz SXYBFTOCKBFXOB-WOJBJXKFSA-N 0 0 411.506 4.322 20 5 HIBDRN O=C(NCCc1ccc(Cl)s1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494671453 905893105 /nfs/dbraw/zinc/89/31/05/905893105.db2.gz CYWGLRDAWXDGRT-UHFFFAOYSA-N 0 0 407.801 4.370 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000494717201 905920765 /nfs/dbraw/zinc/92/07/65/905920765.db2.gz HSJNTIYMQMWUOR-OAQYLSRUSA-N 0 0 423.448 4.067 20 5 HIBDRN CCc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000494780806 905980897 /nfs/dbraw/zinc/98/08/97/905980897.db2.gz RVDPCSLGXJONBL-ZDUSSCGKSA-N 0 0 404.850 4.478 20 5 HIBDRN O=C(NCc1ccc(-c2ccccc2)cc1F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000494781398 905980995 /nfs/dbraw/zinc/98/09/95/905980995.db2.gz HDSHGMSPHAFIQK-UHFFFAOYSA-N 0 0 423.448 4.144 20 5 HIBDRN Cc1cccc([C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C(F)(F)F)c1 ZINC000512489276 921196485 /nfs/dbraw/zinc/19/64/85/921196485.db2.gz OPQCFXVQNNBWCV-QGZVFWFLSA-N 0 0 405.332 4.190 20 5 HIBDRN CN(Cc1ccc(Br)c(F)c1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000494857004 906040277 /nfs/dbraw/zinc/04/02/77/906040277.db2.gz DGPHZXVVSZCJMA-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000494910963 906084771 /nfs/dbraw/zinc/08/47/71/906084771.db2.gz PYJUMOBTLNPVGA-MSOLQXFVSA-N 0 0 423.391 4.333 20 5 HIBDRN CC1(C)C(=O)Nc2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)cc21 ZINC000494957676 906128719 /nfs/dbraw/zinc/12/87/19/906128719.db2.gz OFSXLWIJJWZASI-UHFFFAOYSA-N 0 0 421.375 4.029 20 5 HIBDRN COC(=O)c1cccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1Br ZINC000495036508 906192830 /nfs/dbraw/zinc/19/28/30/906192830.db2.gz NATLNGFRQBQKFI-JTQLQIEISA-N 0 0 422.235 4.027 20 5 HIBDRN CCOc1cc(C(=O)N(C)C)ccc1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000495067202 906219071 /nfs/dbraw/zinc/21/90/71/906219071.db2.gz ICCSIAYZAYVOQS-UHFFFAOYSA-N 0 0 401.463 4.095 20 5 HIBDRN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C2CC2)c(OC)c1 ZINC000512526229 921216275 /nfs/dbraw/zinc/21/62/75/921216275.db2.gz WUNYNOIJVHFKEX-CQSZACIVSA-N 0 0 414.458 4.062 20 5 HIBDRN Cc1c(Br)cc(C(=O)N(C)Cc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000495103196 906241322 /nfs/dbraw/zinc/24/13/22/906241322.db2.gz UOBHXASTQACFQW-UHFFFAOYSA-N 0 0 402.248 4.419 20 5 HIBDRN Cc1ccn2cc(CNC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])nc2c1 ZINC000495119527 906252991 /nfs/dbraw/zinc/25/29/91/906252991.db2.gz KXBPKVPGZXSMBR-UHFFFAOYSA-N 0 0 416.437 4.060 20 5 HIBDRN C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000495355417 906396601 /nfs/dbraw/zinc/39/66/01/906396601.db2.gz IPGLHGWDZUJTJA-YZVOILCLSA-N 0 0 409.555 4.262 20 5 HIBDRN CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000495355612 906397341 /nfs/dbraw/zinc/39/73/41/906397341.db2.gz NQLDKMAABUHGHF-HNNXBMFYSA-N 0 0 424.501 4.142 20 5 HIBDRN COc1ccc(CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C2CC2)c(OC)c1 ZINC000512559321 921236700 /nfs/dbraw/zinc/23/67/00/921236700.db2.gz MSEVDBJDILSIAB-MRXNPFEDSA-N 0 0 412.486 4.290 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n(-c2ccccc2F)n1 ZINC000496410342 906676419 /nfs/dbraw/zinc/67/64/19/906676419.db2.gz HIGQYOVVSVQEAO-UHFFFAOYSA-N 0 0 406.320 4.082 20 5 HIBDRN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000512604152 921257420 /nfs/dbraw/zinc/25/74/20/921257420.db2.gz FOECOJPBZSGHRN-OAHLLOKOSA-N 0 0 416.547 4.091 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)cc1OC ZINC000496733938 906744887 /nfs/dbraw/zinc/74/48/87/906744887.db2.gz FEPGKWZFCWMCHL-UHFFFAOYSA-N 0 0 418.446 4.395 20 5 HIBDRN CCNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC)nc2ccccc21 ZINC000496896758 906776209 /nfs/dbraw/zinc/77/62/09/906776209.db2.gz DOBTXCWBSLULBP-UHFFFAOYSA-N 0 0 424.482 4.257 20 5 HIBDRN CCOc1cc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC ZINC000497046731 906797488 /nfs/dbraw/zinc/79/74/88/906797488.db2.gz JBPHJQUVMQIKEA-AWEZNQCLSA-N 0 0 404.850 4.285 20 5 HIBDRN COc1cccc([C@@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000497315069 906831179 /nfs/dbraw/zinc/83/11/79/906831179.db2.gz UVJACVHHGKBACB-GFCCVEGCSA-N 0 0 411.380 4.302 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H](C)c3c(F)cccc3F)cc2)c(C)c1[N+](=O)[O-] ZINC000497374968 906862530 /nfs/dbraw/zinc/86/25/30/906862530.db2.gz SPEQYXQCDCFLFE-GFCCVEGCSA-N 0 0 414.412 4.226 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(C)c(Br)cc1F ZINC000497423332 906896559 /nfs/dbraw/zinc/89/65/59/906896559.db2.gz BALAAGDEKATBFE-UHFFFAOYSA-N 0 0 412.215 4.135 20 5 HIBDRN Cc1ccnc([C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000497501442 906986896 /nfs/dbraw/zinc/98/68/96/906986896.db2.gz UAZBFUHTBKFZDZ-NRFANRHFSA-N 0 0 417.469 4.186 20 5 HIBDRN COc1cc(CSc2nccn2Cc2ccccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000497546818 907037314 /nfs/dbraw/zinc/03/73/14/907037314.db2.gz VXDLCHAZZYDYSV-UHFFFAOYSA-N 0 0 422.413 4.137 20 5 HIBDRN CS(=O)(=O)c1cccc(Sc2ncc(-c3ccc(Cl)cc3)o2)c1[N+](=O)[O-] ZINC000497551996 907041416 /nfs/dbraw/zinc/04/14/16/907041416.db2.gz UDAUAEXBTRSNNZ-UHFFFAOYSA-N 0 0 410.860 4.458 20 5 HIBDRN CN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)c1cccc([N+](=O)[O-])c1 ZINC000497604896 907082880 /nfs/dbraw/zinc/08/28/80/907082880.db2.gz WUNZLNUIPYXKOS-UHFFFAOYSA-N 0 0 420.194 4.428 20 5 HIBDRN O=C(Nc1ccc(OC2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497646241 907135385 /nfs/dbraw/zinc/13/53/85/907135385.db2.gz SYRILYPSZIMCPT-UHFFFAOYSA-N 0 0 402.472 4.253 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000497650286 907139840 /nfs/dbraw/zinc/13/98/40/907139840.db2.gz CNBDLYYUYBUGPZ-RBUKOAKNSA-N 0 0 403.866 4.010 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000497704463 907208853 /nfs/dbraw/zinc/20/88/53/907208853.db2.gz HVNIOYXJALDPQI-SJLPKXTDSA-N 0 0 406.841 4.311 20 5 HIBDRN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497730021 907227365 /nfs/dbraw/zinc/22/73/65/907227365.db2.gz KHKWQPVLNXHLAC-UHFFFAOYSA-N 0 0 424.162 4.124 20 5 HIBDRN O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497734390 907232301 /nfs/dbraw/zinc/23/23/01/907232301.db2.gz QDVFHMUXQLTCBM-UHFFFAOYSA-N 0 0 406.435 4.002 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000512777331 921309733 /nfs/dbraw/zinc/30/97/33/921309733.db2.gz CMAODHSYZJPDDD-UHFFFAOYSA-N 0 0 414.468 4.034 20 5 HIBDRN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000497824827 907307076 /nfs/dbraw/zinc/30/70/76/907307076.db2.gz RPZPKQRTKIZBFN-AWEZNQCLSA-N 0 0 410.474 4.034 20 5 HIBDRN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497868434 907346487 /nfs/dbraw/zinc/34/64/87/907346487.db2.gz AISKYVKFGUOUSH-UHFFFAOYSA-N 0 0 422.462 4.163 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497870407 907347837 /nfs/dbraw/zinc/34/78/37/907347837.db2.gz WJZLWUUCLXQWOK-UHFFFAOYSA-N 0 0 407.707 4.175 20 5 HIBDRN O=C(NCCCc1nc(-c2ccncc2)cs1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497887372 907361237 /nfs/dbraw/zinc/36/12/37/907361237.db2.gz XBCRXUSFJLKRLF-UHFFFAOYSA-N 0 0 402.863 4.129 20 5 HIBDRN COc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc(OC)c1Br ZINC000497893957 907367092 /nfs/dbraw/zinc/36/70/92/907367092.db2.gz XCYXDPRHDRRGMI-UHFFFAOYSA-N 0 0 423.263 4.291 20 5 HIBDRN CN(Cc1cc(Br)ccc1F)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497895119 907368602 /nfs/dbraw/zinc/36/86/02/907368602.db2.gz WIXYLZDOKGICMV-UHFFFAOYSA-N 0 0 418.222 4.317 20 5 HIBDRN Cc1c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1ccc(F)cc1 ZINC000497908477 907380501 /nfs/dbraw/zinc/38/05/01/907380501.db2.gz XUYBJBSSQNMQJJ-CYBMUJFWSA-N 0 0 419.416 4.267 20 5 HIBDRN O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497923811 907393286 /nfs/dbraw/zinc/39/32/86/907393286.db2.gz DTTBRUALSYFAFD-UHFFFAOYSA-N 0 0 405.332 4.014 20 5 HIBDRN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1OC1CCCC1 ZINC000497922417 907393305 /nfs/dbraw/zinc/39/33/05/907393305.db2.gz PUKXPZPHVMIFNP-UHFFFAOYSA-N 0 0 421.453 4.403 20 5 HIBDRN O=C(Nc1nc(-c2cccs2)ns1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000497981770 907455571 /nfs/dbraw/zinc/45/55/71/907455571.db2.gz JZUMTWXJWCKGHX-UHFFFAOYSA-N 0 0 400.363 4.446 20 5 HIBDRN Cc1cc(N2CCSCC2)ccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000498007610 907498038 /nfs/dbraw/zinc/49/80/38/907498038.db2.gz PZBGHMISRJXKPF-UHFFFAOYSA-N 0 0 400.504 4.120 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000498038960 907545757 /nfs/dbraw/zinc/54/57/57/907545757.db2.gz DPGJIGLRYRTBNG-AWEZNQCLSA-N 0 0 421.266 4.130 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000498038961 907546789 /nfs/dbraw/zinc/54/67/89/907546789.db2.gz DPGJIGLRYRTBNG-CQSZACIVSA-N 0 0 421.266 4.130 20 5 HIBDRN COc1ccc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000498042614 907551319 /nfs/dbraw/zinc/55/13/19/907551319.db2.gz CDKKOONGZVXWRK-AWEZNQCLSA-N 0 0 419.275 4.071 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000498057570 907567943 /nfs/dbraw/zinc/56/79/43/907567943.db2.gz KEFHIKXNWRDEGW-HNNXBMFYSA-N 0 0 403.276 4.371 20 5 HIBDRN CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000498081476 907591253 /nfs/dbraw/zinc/59/12/53/907591253.db2.gz SDHZEBKHFGGMAA-KXBFYZLASA-N 0 0 410.474 4.137 20 5 HIBDRN CC(C)[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N1CCC[C@H](C)C1 ZINC000498085030 907593856 /nfs/dbraw/zinc/59/38/56/907593856.db2.gz KWRPLTKGHXFEQH-HRAATJIYSA-N 0 0 423.582 4.462 20 5 HIBDRN O=C(Nc1ccc(Cc2nnc3ccccn32)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498143256 907666037 /nfs/dbraw/zinc/66/60/37/907666037.db2.gz GQHXDEYLKWWTQZ-UHFFFAOYSA-N 0 0 424.420 4.029 20 5 HIBDRN COc1ccc(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)cc1 ZINC000498145842 907670615 /nfs/dbraw/zinc/67/06/15/907670615.db2.gz IJYITEVVGGTTCG-QGZVFWFLSA-N 0 0 405.454 4.247 20 5 HIBDRN O=C(Cc1cccc(Br)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498152716 907676753 /nfs/dbraw/zinc/67/67/53/907676753.db2.gz KLOKUZWQZOXDTI-KRWDZBQOSA-N 0 0 407.289 4.174 20 5 HIBDRN O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498153683 907679654 /nfs/dbraw/zinc/67/96/54/907679654.db2.gz QOHRHBZTSDHQCQ-CQSZACIVSA-N 0 0 410.405 4.125 20 5 HIBDRN CSc1ccc(O[C@H](C)C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000498159211 907687214 /nfs/dbraw/zinc/68/72/14/907687214.db2.gz IZKKNZUSGOIWQU-BFUOFWGJSA-N 0 0 404.513 4.358 20 5 HIBDRN O=C(NCc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498168494 907696320 /nfs/dbraw/zinc/69/63/20/907696320.db2.gz FFXJAWSBHDDRLY-UHFFFAOYSA-N 0 0 405.332 4.014 20 5 HIBDRN Nc1c(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cc(F)cc1[N+](=O)[O-] ZINC000498250882 907788253 /nfs/dbraw/zinc/78/82/53/907788253.db2.gz ANRWLDOFDVSEIL-UHFFFAOYSA-N 0 0 424.360 4.293 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CCN(CC(F)F)CC1 ZINC000498271531 907808859 /nfs/dbraw/zinc/80/88/59/907808859.db2.gz HYBAYGWHOQZZAS-UHFFFAOYSA-N 0 0 405.401 4.303 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000498326507 907841695 /nfs/dbraw/zinc/84/16/95/907841695.db2.gz VRJPTTVCGHVTNZ-UHFFFAOYSA-N 0 0 401.413 4.278 20 5 HIBDRN CCOc1cc(NC(=O)CCOc2ccc(C)cc2C)c([N+](=O)[O-])cc1OCC ZINC000498371963 907863411 /nfs/dbraw/zinc/86/34/11/907863411.db2.gz GHPBAVGAZOMPHN-UHFFFAOYSA-N 0 0 402.447 4.417 20 5 HIBDRN CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1OC(F)F ZINC000498421940 907894354 /nfs/dbraw/zinc/89/43/54/907894354.db2.gz WNJLAQKLXBSTRX-UHFFFAOYSA-N 0 0 417.368 4.073 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3cccc(OC)c3)CC2)cc1OC ZINC000498455835 907919864 /nfs/dbraw/zinc/91/98/64/907919864.db2.gz YBVJOJZYBZLCRL-UHFFFAOYSA-N 0 0 414.458 4.031 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000498476239 907945781 /nfs/dbraw/zinc/94/57/81/907945781.db2.gz VJGVURGSKFISLU-UHFFFAOYSA-N 0 0 401.422 4.358 20 5 HIBDRN Cc1cc(C)n(-c2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cn2)n1 ZINC000498533463 908001746 /nfs/dbraw/zinc/00/17/46/908001746.db2.gz HGOKLCLNMHJZTB-UHFFFAOYSA-N 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O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000501696052 910765929 /nfs/dbraw/zinc/76/59/29/910765929.db2.gz RXCITGFYBOKJAH-NSHDSACASA-N 0 0 415.602 4.013 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCSc2ccc(Cl)cc21 ZINC000501703401 910771644 /nfs/dbraw/zinc/77/16/44/910771644.db2.gz FHEDQTIFNFSMDJ-UHFFFAOYSA-N 0 0 400.847 4.186 20 5 HIBDRN COc1ccc(CN(CC2CC2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000501708443 910775693 /nfs/dbraw/zinc/77/56/93/910775693.db2.gz LPJYLHRPZQCKPC-UHFFFAOYSA-N 0 0 404.850 4.318 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)OC)cc1[N+](=O)[O-] ZINC000501733067 910793615 /nfs/dbraw/zinc/79/36/15/910793615.db2.gz HBFKTEOLQGNEBA-UHFFFAOYSA-N 0 0 412.320 4.051 20 5 HIBDRN O=C(Nc1ccnc(OCc2ccccc2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000501736530 910798288 /nfs/dbraw/zinc/79/82/88/910798288.db2.gz IHZMJIIPDJOUAP-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)no1 ZINC000501775422 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PPPDGUDSQTYERY-UHFFFAOYSA-N 0 0 424.486 4.036 20 5 HIBDRN COc1ccccc1O[C@@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000513411181 921780268 /nfs/dbraw/zinc/78/02/68/921780268.db2.gz KRIQYPNAEMQRNS-CRAIPNDOSA-N 0 0 424.457 4.258 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506863463 915651204 /nfs/dbraw/zinc/65/12/04/915651204.db2.gz WRIWIPVXOXCVCT-HYXAFXHYSA-N 0 0 419.403 4.085 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nc(C(F)(F)F)c[nH]2)cc1 ZINC000506906811 915705914 /nfs/dbraw/zinc/70/59/14/915705914.db2.gz ANQVGACREYDLRF-UHFFFAOYSA-N 0 0 422.319 4.390 20 5 HIBDRN C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000507026564 915828637 /nfs/dbraw/zinc/82/86/37/915828637.db2.gz HDWVCMPUWYEOAH-JTQLQIEISA-N 0 0 403.287 4.348 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CCC(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000507030381 915831277 /nfs/dbraw/zinc/83/12/77/915831277.db2.gz SHHWSCXGEKJPFE-UHFFFAOYSA-N 0 0 422.460 4.158 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(Cc2cnc3ccc(Br)cn23)C2CC2)c1 ZINC000507172784 915917407 /nfs/dbraw/zinc/91/74/07/915917407.db2.gz IFVPWOPPRLBWQU-UHFFFAOYSA-N 0 0 401.264 4.170 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000507284935 916051490 /nfs/dbraw/zinc/05/14/90/916051490.db2.gz PCONLDPHFUAAHZ-AWEZNQCLSA-N 0 0 417.512 4.375 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nccn1CCc1ccccc1 ZINC000507316636 916076142 /nfs/dbraw/zinc/07/61/42/916076142.db2.gz UUVZUFRWXDUAKH-UHFFFAOYSA-N 0 0 424.526 4.466 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000507317253 916076551 /nfs/dbraw/zinc/07/65/51/916076551.db2.gz OKDOYDQNMNSGTQ-UHFFFAOYSA-N 0 0 418.291 4.447 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000507329995 916087420 /nfs/dbraw/zinc/08/74/20/916087420.db2.gz OPKZDBRTJVDCKH-GJZGRUSLSA-N 0 0 403.504 4.392 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000507329991 916088131 /nfs/dbraw/zinc/08/81/31/916088131.db2.gz OPKZDBRTJVDCKH-CABCVRRESA-N 0 0 403.504 4.392 20 5 HIBDRN COCCSc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000507334579 916091592 /nfs/dbraw/zinc/09/15/92/916091592.db2.gz QQLWATHLLSAGHQ-CABCVRRESA-N 0 0 403.504 4.455 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000507357528 916112910 /nfs/dbraw/zinc/11/29/10/916112910.db2.gz GSBYQYGGFWFAHC-GOSISDBHSA-N 0 0 400.500 4.181 20 5 HIBDRN C[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000507392082 916155214 /nfs/dbraw/zinc/15/52/14/916155214.db2.gz ZHRMRJBRQSHZSC-XHDPSFHLSA-N 0 0 422.268 4.132 20 5 HIBDRN CCSc1ccc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000507482942 916251761 /nfs/dbraw/zinc/25/17/61/916251761.db2.gz GKEYCCBJDSIHGO-LLVKDONJSA-N 0 0 400.909 4.400 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)cc1Br ZINC000507501844 916268403 /nfs/dbraw/zinc/26/84/03/916268403.db2.gz PRZHUJXGOOQRHX-JTQLQIEISA-N 0 0 413.268 4.293 20 5 HIBDRN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000507566809 916323657 /nfs/dbraw/zinc/32/36/57/916323657.db2.gz JOJYRNIQDTULTD-UHFFFAOYSA-N 0 0 412.467 4.307 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000507583685 916339042 /nfs/dbraw/zinc/33/90/42/916339042.db2.gz JQSRWKWPQFKDAG-SJLPKXTDSA-N 0 0 411.506 4.086 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NC3CCN(c4ccccc4)CC3)cc2[N+](=O)[O-])C1 ZINC000507648040 916407237 /nfs/dbraw/zinc/40/72/37/916407237.db2.gz DWIKQIQVZMXXQQ-GOSISDBHSA-N 0 0 422.529 4.230 20 5 HIBDRN C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000507688862 916462642 /nfs/dbraw/zinc/46/26/42/916462642.db2.gz DKTOGHQCHGTTGI-LLVKDONJSA-N 0 0 411.227 4.143 20 5 HIBDRN O=C(CC[S@](=O)c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000507742345 916534514 /nfs/dbraw/zinc/53/45/14/916534514.db2.gz OCNMPTIFWAVLII-MHZLTWQESA-N 0 0 420.796 4.403 20 5 HIBDRN O=C(CC[S@@](=O)c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000507742343 916534844 /nfs/dbraw/zinc/53/48/44/916534844.db2.gz OCNMPTIFWAVLII-HHHXNRCGSA-N 0 0 420.796 4.403 20 5 HIBDRN Cc1ccc(-c2csc(CCCN3C(=O)c4ccccc4C3=O)n2)cc1[N+](=O)[O-] ZINC000507881295 916721158 /nfs/dbraw/zinc/72/11/58/916721158.db2.gz TYXBAUHLFKLHKM-UHFFFAOYSA-N 0 0 407.451 4.256 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000507891822 916741576 /nfs/dbraw/zinc/74/15/76/916741576.db2.gz YDXOIHDJMYMDNQ-IBGZPJMESA-N 0 0 418.497 4.061 20 5 HIBDRN CCCCOc1ccc([C@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000507947687 916810612 /nfs/dbraw/zinc/81/06/12/916810612.db2.gz FMPWLDCTGWHRGN-HNNXBMFYSA-N 0 0 416.474 4.500 20 5 HIBDRN COc1ccc([C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccc(F)cc2)cc1 ZINC000507949259 916811302 /nfs/dbraw/zinc/81/13/02/916811302.db2.gz KYSZCPIMBUTOIK-QFIPXVFZSA-N 0 0 424.428 4.488 20 5 HIBDRN COc1cc(C(=O)N[C@@]2(C)CCCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000507955036 916813776 /nfs/dbraw/zinc/81/37/76/916813776.db2.gz KJPJZBRFILIBEB-FQEVSTJZSA-N 0 0 406.385 4.186 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)C3Cc4ccccc4C3)cc2[N+](=O)[O-])C1 ZINC000507967768 916819978 /nfs/dbraw/zinc/81/99/78/916819978.db2.gz HQXKSMWZNDRCNL-IAGOWNOFSA-N 0 0 407.514 4.317 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000508009566 916849137 /nfs/dbraw/zinc/84/91/37/916849137.db2.gz QRHZQVGFJUNBAN-OAHLLOKOSA-N 0 0 402.472 4.435 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC000508055701 916882021 /nfs/dbraw/zinc/88/20/21/916882021.db2.gz WWUMMMIJHZFDMR-VIFPVBQESA-N 0 0 424.310 4.294 20 5 HIBDRN COc1ccc([C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 ZINC000508074187 916894913 /nfs/dbraw/zinc/89/49/13/916894913.db2.gz ASXILHREKANGNO-GOSISDBHSA-N 0 0 411.380 4.215 20 5 HIBDRN O=C(NCCc1csc(=O)[nH]1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000508103016 916918829 /nfs/dbraw/zinc/91/88/29/916918829.db2.gz FNMYYQOLUGAEBN-UHFFFAOYSA-N 0 0 407.517 4.012 20 5 HIBDRN CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000508142000 916963042 /nfs/dbraw/zinc/96/30/42/916963042.db2.gz KURKUHFYJOVQFK-UHFFFAOYSA-N 0 0 410.417 4.332 20 5 HIBDRN CC[C@@H](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(OC)cc1 ZINC000508154521 916974357 /nfs/dbraw/zinc/97/43/57/916974357.db2.gz KDTXJKQBQCHHRF-AWEZNQCLSA-N 0 0 400.431 4.287 20 5 HIBDRN CC[C@@H]1CCCCN1C(=O)COc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000508160385 916982141 /nfs/dbraw/zinc/98/21/41/916982141.db2.gz HWMBRJGZJCPDLI-CYBMUJFWSA-N 0 0 422.279 4.075 20 5 HIBDRN O=C(COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000508162901 916983652 /nfs/dbraw/zinc/98/36/52/916983652.db2.gz NREWNEFSOBTPMF-UHFFFAOYSA-N 0 0 405.179 4.306 20 5 HIBDRN COc1cc(N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(F)cc1[N+](=O)[O-] ZINC000508245709 917062718 /nfs/dbraw/zinc/06/27/18/917062718.db2.gz HARMIGSJTLDQFZ-IBGZPJMESA-N 0 0 419.840 4.348 20 5 HIBDRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000508323015 917127798 /nfs/dbraw/zinc/12/77/98/917127798.db2.gz DFEXAXYGOTYOMG-UHFFFAOYSA-N 0 0 407.249 4.072 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000508351352 917152557 /nfs/dbraw/zinc/15/25/57/917152557.db2.gz ZOHRBMXYGUJVHQ-UHFFFAOYSA-N 0 0 418.291 4.255 20 5 HIBDRN CCc1c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cnn1-c1cccc(Cl)c1 ZINC000508463515 917248539 /nfs/dbraw/zinc/24/85/39/917248539.db2.gz BFHMZAQELFFANC-UHFFFAOYSA-N 0 0 410.821 4.125 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000508466915 917251776 /nfs/dbraw/zinc/25/17/76/917251776.db2.gz NUMZZFQWHGEEDU-GOEBONIOSA-N 0 0 408.376 4.445 20 5 HIBDRN O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000508484158 917269376 /nfs/dbraw/zinc/26/93/76/917269376.db2.gz LSYFAWKXYXRZDW-UHFFFAOYSA-N 0 0 411.849 4.028 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000508484036 917269526 /nfs/dbraw/zinc/26/95/26/917269526.db2.gz PDHMUAYULFVANK-UHFFFAOYSA-N 0 0 418.291 4.255 20 5 HIBDRN COC(=O)c1occc1CN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)c1ccccn1 ZINC000508506092 917291499 /nfs/dbraw/zinc/29/14/99/917291499.db2.gz NUUUOSBGRVSURD-HNNXBMFYSA-N 0 0 423.425 4.081 20 5 HIBDRN CCSc1ccc([C@@H](C)NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000508581246 917353322 /nfs/dbraw/zinc/35/33/22/917353322.db2.gz VRIQGHBRVOZGFS-MRXNPFEDSA-N 0 0 414.531 4.300 20 5 HIBDRN CN(c1ccccc1)c1ccc(CN2CCC(O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000508658047 917423207 /nfs/dbraw/zinc/42/32/07/917423207.db2.gz QQAHGVBIIWGBJO-UHFFFAOYSA-N 0 0 409.408 4.252 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCc1nc(Cc2cc(F)cc(Br)c2)no1 ZINC000508677865 917441239 /nfs/dbraw/zinc/44/12/39/917441239.db2.gz IBTBTTXXTZRDSA-UHFFFAOYSA-N 0 0 408.183 4.049 20 5 HIBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc(F)cc1 ZINC000508768866 917522579 /nfs/dbraw/zinc/52/25/79/917522579.db2.gz HQKBBAYYBMWLHD-UHFFFAOYSA-N 0 0 414.174 4.005 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000508779515 917533058 /nfs/dbraw/zinc/53/30/58/917533058.db2.gz QMQVVPVGYATGMJ-UHFFFAOYSA-N 0 0 405.248 4.044 20 5 HIBDRN COc1ccc(NC(=O)c2cc(C)nc3ccc(Br)cc32)c([N+](=O)[O-])c1 ZINC000508779882 917534383 /nfs/dbraw/zinc/53/43/83/917534383.db2.gz RGNMVPSWUCEKJS-UHFFFAOYSA-N 0 0 416.231 4.475 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000508790590 917547909 /nfs/dbraw/zinc/54/79/09/917547909.db2.gz UGCDCURLZUKWJZ-HNNXBMFYSA-N 0 0 415.343 4.235 20 5 HIBDRN CC(C)(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000508810604 917563895 /nfs/dbraw/zinc/56/38/95/917563895.db2.gz MOULEKVLAOIQFK-UHFFFAOYSA-N 0 0 404.248 4.144 20 5 HIBDRN C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(-n2cccn2)c(F)c1 ZINC000508830761 917583823 /nfs/dbraw/zinc/58/38/23/917583823.db2.gz UQGFXQWXXYDXHD-STQMWFEESA-N 0 0 400.385 4.040 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2ccccn2)CC1 ZINC000508968291 917723348 /nfs/dbraw/zinc/72/33/48/917723348.db2.gz JZLCDBCNCHCHBV-UHFFFAOYSA-N 0 0 401.488 4.176 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000509108191 917847636 /nfs/dbraw/zinc/84/76/36/917847636.db2.gz HQKBGYLUIJCFMR-UHFFFAOYSA-N 0 0 422.812 4.130 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(CCC(C)C)C1CC1 ZINC000509152259 917872827 /nfs/dbraw/zinc/87/28/27/917872827.db2.gz LZLACXYGTIXEPF-UHFFFAOYSA-N 0 0 416.259 4.159 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000509168045 917881788 /nfs/dbraw/zinc/88/17/88/917881788.db2.gz MNSCDUXRGSMIDQ-LJQANCHMSA-N 0 0 410.442 4.154 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CCC([C@H](F)c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000509171868 917885632 /nfs/dbraw/zinc/88/56/32/917885632.db2.gz VOSSWGCLFJLMQW-IBGZPJMESA-N 0 0 410.442 4.154 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000509181012 917891724 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HIBDRN Cn1cc(Oc2ccccc2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000509311859 917987535 /nfs/dbraw/zinc/98/75/35/917987535.db2.gz BRWQZOMQMCPBFW-UHFFFAOYSA-N 0 0 406.320 4.392 20 5 HIBDRN CC[C@@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509391023 918055519 /nfs/dbraw/zinc/05/55/19/918055519.db2.gz XMXUYSNPGCDFKD-GFCCVEGCSA-N 0 0 402.401 4.323 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509398131 918063962 /nfs/dbraw/zinc/06/39/62/918063962.db2.gz AGBUYAWHCATNQL-UHFFFAOYSA-N 0 0 423.485 4.451 20 5 HIBDRN Cc1nc2ccccc2n1CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000509418071 918078466 /nfs/dbraw/zinc/07/84/66/918078466.db2.gz KKUWFFYWENCDSY-UHFFFAOYSA-N 0 0 409.490 4.263 20 5 HIBDRN O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509438956 918095044 /nfs/dbraw/zinc/09/50/44/918095044.db2.gz TUUJHVINUGQGLQ-UHFFFAOYSA-N 0 0 406.769 4.018 20 5 HIBDRN C[C@@H](Nc1nc(N[C@@H](C)c2ccncc2F)c([N+](=O)[O-])s1)c1ccncc1F 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923035594 /nfs/dbraw/zinc/03/55/94/923035594.db2.gz IIBSHVLKLZRWQN-UHFFFAOYSA-N 0 0 405.248 4.106 20 5 HIBDRN CCCN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H]1CCc2ccccc21 ZINC000515371754 923070480 /nfs/dbraw/zinc/07/04/80/923070480.db2.gz RFOYTLJTQGHPNI-IBGZPJMESA-N 0 0 423.469 4.209 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000515453963 923113497 /nfs/dbraw/zinc/11/34/97/923113497.db2.gz JXFHIGFHHISLDB-IBGZPJMESA-N 0 0 413.474 4.439 20 5 HIBDRN C[C@@H](c1nc(CC(=O)Nc2ccccc2C(F)(F)F)no1)c1cccc([N+](=O)[O-])c1 ZINC000515478565 923128387 /nfs/dbraw/zinc/12/83/87/923128387.db2.gz NXWMYJLUEDLTJK-LLVKDONJSA-N 0 0 420.347 4.330 20 5 HIBDRN CC(=O)c1ccc(NCc2ccc(OCCOc3ccccc3)nc2)c([N+](=O)[O-])c1 ZINC000515502177 923137314 /nfs/dbraw/zinc/13/73/14/923137314.db2.gz VNOBRQZMZLHGMT-UHFFFAOYSA-N 0 0 407.426 4.262 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2nnc(Sc3ccccc3[N+](=O)[O-])n2Cc2ccco2)C1 ZINC000515541313 923163893 /nfs/dbraw/zinc/16/38/93/923163893.db2.gz 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ZINC000516647899 923829499 /nfs/dbraw/zinc/82/94/99/923829499.db2.gz YCXFLDGZEWJDDJ-UHFFFAOYSA-N 0 0 406.280 4.450 20 5 HIBDRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000516659931 923832545 /nfs/dbraw/zinc/83/25/45/923832545.db2.gz WKCWQCBXWOQIBF-UHFFFAOYSA-N 0 0 423.391 4.484 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)Nc1ccccc1OC(F)F ZINC000516715858 923860115 /nfs/dbraw/zinc/86/01/15/923860115.db2.gz MELCPUGEUQJVRZ-UHFFFAOYSA-N 0 0 406.263 4.233 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)CCOc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000516760490 923879259 /nfs/dbraw/zinc/87/92/59/923879259.db2.gz NUCUVWLLMREWAM-UHFFFAOYSA-N 0 0 421.453 4.170 20 5 HIBDRN C[C@H](c1ccccc1F)N1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1=O ZINC000516775884 923883755 /nfs/dbraw/zinc/88/37/55/923883755.db2.gz ISZUTWRBPDYKTN-VLIAUNLRSA-N 0 0 408.433 4.446 20 5 HIBDRN CC(C)(C)OC1CC(Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 ZINC000516812332 923897632 /nfs/dbraw/zinc/89/76/32/923897632.db2.gz LIUXBHANHQTVSM-UHFFFAOYSA-N 0 0 424.295 4.467 20 5 HIBDRN CCn1ncc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1C(F)(F)F ZINC000516985678 923952898 /nfs/dbraw/zinc/95/28/98/923952898.db2.gz RDXKSGMTITXIAW-UHFFFAOYSA-N 0 0 421.173 4.153 20 5 HIBDRN COc1ccc(CNC(=O)c2cc(Cl)cc(F)c2Br)cc1[N+](=O)[O-] ZINC000517044917 923971676 /nfs/dbraw/zinc/97/16/76/923971676.db2.gz JWRBVADFFOHBBG-UHFFFAOYSA-N 0 0 417.618 4.088 20 5 HIBDRN CCOc1cc(NC(=O)N2Cc3ccccc3OC[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000517051309 923974381 /nfs/dbraw/zinc/97/43/81/923974381.db2.gz BJGNKJZFNIIFKS-CQSZACIVSA-N 0 0 415.446 4.207 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000517050693 923974879 /nfs/dbraw/zinc/97/48/79/923974879.db2.gz AWIMCFMQGYJSQJ-IBGZPJMESA-N 0 0 401.850 4.036 20 5 HIBDRN CC(C)(C)c1csc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000517115429 924006249 /nfs/dbraw/zinc/00/62/49/924006249.db2.gz OHGGOCSKIKGIEI-UHFFFAOYSA-N 0 0 400.407 4.272 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H](C)CNC(=O)c2ccccc2)no1 ZINC000517201287 924048878 /nfs/dbraw/zinc/04/88/78/924048878.db2.gz APCNPUORFHSAEW-RDJZCZTQSA-N 0 0 408.458 4.248 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2cc(OC)c(Cl)cc2C1 ZINC000517257577 924063878 /nfs/dbraw/zinc/06/38/78/924063878.db2.gz VPMIGHZLRTZPAG-OAHLLOKOSA-N 0 0 402.878 4.410 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000517345028 924117947 /nfs/dbraw/zinc/11/79/47/924117947.db2.gz RNCTUEXDPHHIJY-GTNSWQLSSA-N 0 0 412.339 4.355 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000517359144 924131801 /nfs/dbraw/zinc/13/18/01/924131801.db2.gz ZGDHXANXNBYBOB-AWEZNQCLSA-N 0 0 407.430 4.068 20 5 HIBDRN CC(C)c1ccc(-n2ccnc2SCC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000517396571 924154991 /nfs/dbraw/zinc/15/49/91/924154991.db2.gz AKGRIYWQOGUESA-UHFFFAOYSA-N 0 0 410.499 4.312 20 5 HIBDRN 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Cc1cc(C(=O)N2CCC[C@@H]2c2nc(CCCc3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000518612690 927378553 /nfs/dbraw/zinc/37/85/53/927378553.db2.gz ILSOILGOWKPSRZ-HXUWFJFHSA-N 0 0 420.469 4.439 20 5 HIBDRN COC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000518658667 927411112 /nfs/dbraw/zinc/41/11/12/927411112.db2.gz PXMRKYYRGAIBCC-UHFFFAOYSA-N 0 0 406.394 4.066 20 5 HIBDRN CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000518674543 927422568 /nfs/dbraw/zinc/42/25/68/927422568.db2.gz WZYDZKJXZDTITH-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NC[C@@H]3CCOc4ccccc43)cc2[N+](=O)[O-])CC1 ZINC000518699659 927441223 /nfs/dbraw/zinc/44/12/23/927441223.db2.gz HPSWUBUUQYDCDR-SFHVURJKSA-N 0 0 409.486 4.127 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1=CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000518715545 927452138 /nfs/dbraw/zinc/45/21/38/927452138.db2.gz XHXXUUMKLPPAST-UHFFFAOYSA-N 0 0 404.470 4.426 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cnc(C(C)(C)C)nc3)cc2[N+](=O)[O-])C1 ZINC000518776345 927488748 /nfs/dbraw/zinc/48/87/48/927488748.db2.gz VTDIUAPQNADHEH-GJZGRUSLSA-N 0 0 411.506 4.417 20 5 HIBDRN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518787158 927492224 /nfs/dbraw/zinc/49/22/24/927492224.db2.gz OVKOBDQQYZNYRG-UHFFFAOYSA-N 0 0 412.446 4.001 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000518857180 927561659 /nfs/dbraw/zinc/56/16/59/927561659.db2.gz NPDFEXVMUXKCIZ-IINYFYTJSA-N 0 0 411.241 4.309 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1nc2cc(Cl)ccc2s1 ZINC000518856288 927562554 /nfs/dbraw/zinc/56/25/54/927562554.db2.gz NMJPGYAUNBXJOO-UHFFFAOYSA-N 0 0 404.879 4.366 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000518857182 927562667 /nfs/dbraw/zinc/56/26/67/927562667.db2.gz NPDFEXVMUXKCIZ-YGRLFVJLSA-N 0 0 411.241 4.309 20 5 HIBDRN C[C@@H](OCCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000518883967 927596985 /nfs/dbraw/zinc/59/69/85/927596985.db2.gz JNLQJMOKWGCXRS-CABCVRRESA-N 0 0 406.866 4.300 20 5 HIBDRN C[S@](=O)c1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000518932387 927638873 /nfs/dbraw/zinc/63/88/73/927638873.db2.gz IPSHGYKAFOLNAB-LJAQVGFWSA-N 0 0 409.467 4.197 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000518980427 927672530 /nfs/dbraw/zinc/67/25/30/927672530.db2.gz XUPIRJMAXDNSBO-LBPRGKRZSA-N 0 0 411.380 4.053 20 5 HIBDRN COc1ccc(C(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000519036796 927713712 /nfs/dbraw/zinc/71/37/12/927713712.db2.gz NPPPLTXDUBKEFG-GOSISDBHSA-N 0 0 406.442 4.286 20 5 HIBDRN O=C(CCN1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1cc(Cl)ccc1Cl ZINC000519037204 927713860 /nfs/dbraw/zinc/71/38/60/927713860.db2.gz UNEUKWOYTIEIMC-UHFFFAOYSA-N 0 0 410.257 4.125 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](CCc2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000519039441 927715030 /nfs/dbraw/zinc/71/50/30/927715030.db2.gz JJKQDUVSXGOWQO-OAQYLSRUSA-N 0 0 420.465 4.473 20 5 HIBDRN COc1cc(OCC(=O)N(Cc2ccco2)c2ccc(F)cc2C)ccc1[N+](=O)[O-] ZINC000519048892 927725600 /nfs/dbraw/zinc/72/56/00/927725600.db2.gz NCLNCRFOYKNTMB-UHFFFAOYSA-N 0 0 414.389 4.256 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000519118583 927785726 /nfs/dbraw/zinc/78/57/26/927785726.db2.gz GPOCRJZZJLCVGC-BKTGTZMESA-N 0 0 404.463 4.251 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000519159976 927807025 /nfs/dbraw/zinc/80/70/25/927807025.db2.gz UBMPHOJNSBPTDI-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN C[C@@H](Oc1ccccc1Br)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000519488412 927983706 /nfs/dbraw/zinc/98/37/06/927983706.db2.gz JRLFURHIJJOEGI-LLVKDONJSA-N 0 0 404.220 4.471 20 5 HIBDRN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000519619537 928031491 /nfs/dbraw/zinc/03/14/91/928031491.db2.gz YPMNSTHYNNOVNG-MJGOQNOKSA-N 0 0 409.467 4.368 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000519771255 928069266 /nfs/dbraw/zinc/06/92/66/928069266.db2.gz RHJBRIBFRLRXIU-ZDUSSCGKSA-N 0 0 424.423 4.031 20 5 HIBDRN O=C(Nc1ccc2c(c1F)CCNC2=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000519773962 928070812 /nfs/dbraw/zinc/07/08/12/928070812.db2.gz LPSWEUCJCMKRRW-UHFFFAOYSA-N 0 0 420.400 4.016 20 5 HIBDRN CCCN([C@@H](C)c1ccccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000519891592 928125528 /nfs/dbraw/zinc/12/55/28/928125528.db2.gz IMKVLMGWENLNNP-ZDUSSCGKSA-N 0 0 412.895 4.419 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000519892231 928126661 /nfs/dbraw/zinc/12/66/61/928126661.db2.gz SUPKTGNOUDKGPN-LBPRGKRZSA-N 0 0 402.394 4.304 20 5 HIBDRN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000519980446 928207185 /nfs/dbraw/zinc/20/71/85/928207185.db2.gz FNINHKBXAVMKPF-FQEVSTJZSA-N 0 0 406.442 4.043 20 5 HIBDRN COc1ccc(COCc2cccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000520012257 928236065 /nfs/dbraw/zinc/23/60/65/928236065.db2.gz 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HUNCHPAAEDNXDN-UHFFFAOYSA-N 0 0 401.728 4.153 20 5 HIBDRN CC[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])cn1C)Oc1ccc(Cl)c(Cl)c1 ZINC000526073367 930520758 /nfs/dbraw/zinc/52/07/58/930520758.db2.gz WFSVOBORKBSIDO-LBPRGKRZSA-N 0 0 400.262 4.170 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1=CCOCC1 ZINC000526998960 930563625 /nfs/dbraw/zinc/56/36/25/930563625.db2.gz WYSYFKNJIUHVKI-UHFFFAOYSA-N 0 0 406.797 4.143 20 5 HIBDRN O=C(NCCc1ccc(F)c(F)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000527054084 930575954 /nfs/dbraw/zinc/57/59/54/930575954.db2.gz ZPXZEQBTXNNRQJ-UHFFFAOYSA-N 0 0 414.358 4.210 20 5 HIBDRN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000527265092 930622696 /nfs/dbraw/zinc/62/26/96/930622696.db2.gz DDKJQYRQYFTGAG-UFEGIJMPSA-N 0 0 422.890 4.022 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000527318784 930633736 /nfs/dbraw/zinc/63/37/36/930633736.db2.gz WCCBIYCLNZZMMH-NSHDSACASA-N 0 0 416.821 4.188 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2cccs2)c[nH]1 ZINC000527464587 930661113 /nfs/dbraw/zinc/66/11/13/930661113.db2.gz ZSYJQGWFMQSUNC-UHFFFAOYSA-N 0 0 402.501 4.479 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000530622464 930775606 /nfs/dbraw/zinc/77/56/06/930775606.db2.gz NJAZTTDEYOOIGU-STQMWFEESA-N 0 0 404.850 4.284 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000530622463 930775738 /nfs/dbraw/zinc/77/57/38/930775738.db2.gz NJAZTTDEYOOIGU-QWHCGFSZSA-N 0 0 404.850 4.284 20 5 HIBDRN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cs1 ZINC000530779815 930821681 /nfs/dbraw/zinc/82/16/81/930821681.db2.gz CZLLCNAPDCYPMJ-UHFFFAOYSA-N 0 0 414.443 4.003 20 5 HIBDRN CNc1ccc(C(=O)NC(c2cccc(OC)c2)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000530887058 930849197 /nfs/dbraw/zinc/84/91/97/930849197.db2.gz HYRSECHLGIWHJQ-UHFFFAOYSA-N 0 0 421.453 4.173 20 5 HIBDRN CN([C@@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000530904315 930855126 /nfs/dbraw/zinc/85/51/26/930855126.db2.gz ZLCGCBIQZKWJQC-LJQANCHMSA-N 0 0 417.874 4.053 20 5 HIBDRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000530976183 930873926 /nfs/dbraw/zinc/87/39/26/930873926.db2.gz NYKKQRRYUUYORG-UHFFFAOYSA-N 0 0 424.310 4.113 20 5 HIBDRN CCCC(=O)Nc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000531024665 930888725 /nfs/dbraw/zinc/88/87/25/930888725.db2.gz IYKXBPYNICSDMH-UHFFFAOYSA-N 0 0 420.263 4.277 20 5 HIBDRN O=C(NCCc1nc2cc(Cl)ccc2s1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000531039646 930893378 /nfs/dbraw/zinc/89/33/78/930893378.db2.gz WXCUVXWCHZBVHG-UHFFFAOYSA-N 0 0 400.847 4.312 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000531225766 930974046 /nfs/dbraw/zinc/97/40/46/930974046.db2.gz RBBVHFKZTVONAS-ZDUSSCGKSA-N 0 0 419.466 4.461 20 5 HIBDRN CC(C)c1c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cnn1-c1ccccn1 ZINC000531239030 930977532 /nfs/dbraw/zinc/97/75/32/930977532.db2.gz ROWRKGFULZHVFY-UHFFFAOYSA-N 0 0 402.414 4.099 20 5 HIBDRN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000531264176 930987595 /nfs/dbraw/zinc/98/75/95/930987595.db2.gz SXQOVHGPIYULBO-XJKSGUPXSA-N 0 0 403.276 4.304 20 5 HIBDRN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1cc2ccccc2c2cccnc12 ZINC000531277637 930996886 /nfs/dbraw/zinc/99/68/86/930996886.db2.gz MGYVVZQJLUTOQZ-FQEVSTJZSA-N 0 0 417.415 4.202 20 5 HIBDRN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cc2ccccc2c2cccnc12 ZINC000531277638 930997290 /nfs/dbraw/zinc/99/72/90/930997290.db2.gz MGYVVZQJLUTOQZ-HXUWFJFHSA-N 0 0 417.415 4.202 20 5 HIBDRN COc1ccc(CC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)cc1[N+](=O)[O-] ZINC000531436665 931056545 /nfs/dbraw/zinc/05/65/45/931056545.db2.gz VUXWHCGNMCNNJD-UHFFFAOYSA-N 0 0 404.413 4.396 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000531442249 931058466 /nfs/dbraw/zinc/05/84/66/931058466.db2.gz CORYYNKMMSCOMP-QGZVFWFLSA-N 0 0 404.264 4.404 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000531495307 931077483 /nfs/dbraw/zinc/07/74/83/931077483.db2.gz OHBPVGAZGNOEDU-QGZVFWFLSA-N 0 0 403.438 4.356 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000531497661 931078462 /nfs/dbraw/zinc/07/84/62/931078462.db2.gz ZMMAUYAHFWDBOL-UHFFFAOYSA-N 0 0 422.407 4.481 20 5 HIBDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br)CCC2 ZINC000531505509 931082605 /nfs/dbraw/zinc/08/26/05/931082605.db2.gz ONWRLLBYXHUMCJ-HNNXBMFYSA-N 0 0 424.320 4.201 20 5 HIBDRN O=C(CCSc1ccc(Br)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000531512066 931085529 /nfs/dbraw/zinc/08/55/29/931085529.db2.gz CAIPBXUIOMNWLG-UHFFFAOYSA-N 0 0 421.316 4.424 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000531514198 931086340 /nfs/dbraw/zinc/08/63/40/931086340.db2.gz MYSXQHBCLQYWJP-UHFFFAOYSA-N 0 0 406.851 4.231 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC[C@H]2CCOC2)c1 ZINC000531523910 931091077 /nfs/dbraw/zinc/09/10/77/931091077.db2.gz HSULRDCQBPSLPK-AWEZNQCLSA-N 0 0 419.865 4.294 20 5 HIBDRN COc1ccc(O)c(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 ZINC000531582373 931109347 /nfs/dbraw/zinc/10/93/47/931109347.db2.gz RGVBCZMXLLXRES-UHFFFAOYSA-N 0 0 417.468 4.477 20 5 HIBDRN CCC1(CC)CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)c2ccc(Br)cc21 ZINC000531618848 931129721 /nfs/dbraw/zinc/12/97/21/931129721.db2.gz OZQMEZBKPZHZFB-UHFFFAOYSA-N 0 0 421.295 4.117 20 5 HIBDRN CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000531628077 931132790 /nfs/dbraw/zinc/13/27/90/931132790.db2.gz BBLBXJQZYZPQDN-FQEVSTJZSA-N 0 0 412.396 4.305 20 5 HIBDRN O=C(Nc1ncc(Cc2cccc(Br)c2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000531626998 931132880 /nfs/dbraw/zinc/13/28/80/931132880.db2.gz XGCLXZXZAJHSRV-UHFFFAOYSA-N 0 0 419.260 4.052 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H]3c3cccc(C)n3)cc2)c(C)c1[N+](=O)[O-] ZINC000531731228 931176604 /nfs/dbraw/zinc/17/66/04/931176604.db2.gz JGTPIBRZOAFTOF-OAQYLSRUSA-N 0 0 419.485 4.137 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000531764168 931187892 /nfs/dbraw/zinc/18/78/92/931187892.db2.gz CJLDJEUSNJNVRN-OAHLLOKOSA-N 0 0 400.504 4.019 20 5 HIBDRN C[C@]1(c2ccccc2)CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000531849728 931219754 /nfs/dbraw/zinc/21/97/54/931219754.db2.gz OXEMEDNVXPVXDN-OAQYLSRUSA-N 0 0 409.467 4.106 20 5 HIBDRN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000531929277 931249397 /nfs/dbraw/zinc/24/93/97/931249397.db2.gz ILLBEWYGTMFKAV-SNVBAGLBSA-N 0 0 420.288 4.328 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000531978397 931273051 /nfs/dbraw/zinc/27/30/51/931273051.db2.gz WTMROKXXIKJRKF-HNNXBMFYSA-N 0 0 410.499 4.141 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000532058131 931300211 /nfs/dbraw/zinc/30/02/11/931300211.db2.gz DUMOYDHJZOPDRO-UHFFFAOYSA-N 0 0 401.426 4.257 20 5 HIBDRN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000532118525 931319888 /nfs/dbraw/zinc/31/98/88/931319888.db2.gz KEGPGYOSKMANES-SFHVURJKSA-N 0 0 419.522 4.071 20 5 HIBDRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532398996 931422703 /nfs/dbraw/zinc/42/27/03/931422703.db2.gz CLQSQJNAWJBGAF-CHWSQXEVSA-N 0 0 416.865 4.299 20 5 HIBDRN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1ccccc1OC ZINC000532490858 931459214 /nfs/dbraw/zinc/45/92/14/931459214.db2.gz MMAUXBOMRCJITP-HNNXBMFYSA-N 0 0 401.463 4.024 20 5 HIBDRN Cn1ncc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3Sc3cccs3)cnc21 ZINC000532504636 931465666 /nfs/dbraw/zinc/46/56/66/931465666.db2.gz PVRJBJSMFOKPMZ-UHFFFAOYSA-N 0 0 411.468 4.342 20 5 HIBDRN Cc1c(NC(=O)CCN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000532544906 931516905 /nfs/dbraw/zinc/51/69/05/931516905.db2.gz JSTBKICJMJNCBG-IBGZPJMESA-N 0 0 421.856 4.098 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000532545528 931517018 /nfs/dbraw/zinc/51/70/18/931517018.db2.gz ITSRQNPUULNCQO-DJJJIMSYSA-N 0 0 421.856 4.096 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000532560332 931522706 /nfs/dbraw/zinc/52/27/06/931522706.db2.gz NGEPPEQYCLTVOL-UHFFFAOYSA-N 0 0 412.920 4.194 20 5 HIBDRN COc1ccccc1[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000532587451 931544064 /nfs/dbraw/zinc/54/40/64/931544064.db2.gz ZXKZEFRYUCATKD-KGLIPLIRSA-N 0 0 403.866 4.073 20 5 HIBDRN Cc1cc(F)cc2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CCC2 ZINC000532614535 931554454 /nfs/dbraw/zinc/55/44/54/931554454.db2.gz VXRNBDYVKHXGMV-UHFFFAOYSA-N 0 0 418.368 4.203 20 5 HIBDRN O=C1[C@@H](N2CCC[C@@H](c3nc4ccccc4s3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532625852 931558732 /nfs/dbraw/zinc/55/87/32/931558732.db2.gz PZRLDQDSVDNQCO-BEFAXECRSA-N 0 0 422.510 4.189 20 5 HIBDRN COc1cc(CNc2ccn(CC(F)F)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 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CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000562900780 945145586 /nfs/dbraw/zinc/14/55/86/945145586.db2.gz DLTRMVAOKSJSEV-OAQYLSRUSA-N 0 0 406.398 4.446 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000537563453 938325514 /nfs/dbraw/zinc/32/55/14/938325514.db2.gz RWFIRQJHGSIFQY-NSHDSACASA-N 0 0 410.396 4.053 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000537590720 938330096 /nfs/dbraw/zinc/33/00/96/938330096.db2.gz LXZNWQUGMVZNKK-HZPDHXFCSA-N 0 0 423.694 4.473 20 5 HIBDRN O=C(Cc1cccc(OCC(F)(F)F)c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537591842 938330370 /nfs/dbraw/zinc/33/03/70/938330370.db2.gz CWCPIBZJEGLIEY-UHFFFAOYSA-N 0 0 416.783 4.091 20 5 HIBDRN CCn1cc(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000537625958 938338352 /nfs/dbraw/zinc/33/83/52/938338352.db2.gz YGVQDMZNWOWJMH-UHFFFAOYSA-N 0 0 416.485 4.296 20 5 HIBDRN CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 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ZINC000538658454 938675785 /nfs/dbraw/zinc/67/57/85/938675785.db2.gz XBSXRTBRHUPCTA-UHFFFAOYSA-N 0 0 401.373 4.170 20 5 HIBDRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538695000 938685919 /nfs/dbraw/zinc/68/59/19/938685919.db2.gz WQHGICZGXOJGCA-CYBMUJFWSA-N 0 0 415.881 4.245 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H]3c3ncon3)o2)c(Br)c1 ZINC000538716656 938689232 /nfs/dbraw/zinc/68/92/32/938689232.db2.gz KTWNLQATRFMXKS-HNNXBMFYSA-N 0 0 419.235 4.337 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(Cl)ccc1Br ZINC000563476108 945196691 /nfs/dbraw/zinc/19/66/91/945196691.db2.gz NZMKXSFCQBUVPZ-UHFFFAOYSA-N 0 0 422.666 4.465 20 5 HIBDRN CCCOc1ccc([C@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC ZINC000538741945 938698787 /nfs/dbraw/zinc/69/87/87/938698787.db2.gz ZCYHZTVRAJDUFS-NSHDSACASA-N 0 0 414.505 4.030 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000538745281 938700033 /nfs/dbraw/zinc/70/00/33/938700033.db2.gz IFYFPVRTAMEOCW-UHFFFAOYSA-N 0 0 400.822 4.153 20 5 HIBDRN COc1cc(CN2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538750462 938701201 /nfs/dbraw/zinc/70/12/01/938701201.db2.gz CPDMCVHPNSEJQM-SUMWQHHRSA-N 0 0 420.453 4.405 20 5 HIBDRN C[C@H]1C[C@@H](CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 ZINC000538863687 938727684 /nfs/dbraw/zinc/72/76/84/938727684.db2.gz IOZHNODQRKYAEW-GJZGRUSLSA-N 0 0 417.893 4.405 20 5 HIBDRN CCOc1cc(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)ccc1[N+](=O)[O-] ZINC000538891577 938731231 /nfs/dbraw/zinc/73/12/31/938731231.db2.gz ABAKVIGNABFAJJ-UHFFFAOYSA-N 0 0 415.759 4.321 20 5 HIBDRN CCOc1cc(Sc2nnc(-c3cccnc3)n2Cc2ccco2)ccc1[N+](=O)[O-] ZINC000538891581 938731278 /nfs/dbraw/zinc/73/12/78/938731278.db2.gz AHPUOKCHPRBTHR-UHFFFAOYSA-N 0 0 423.454 4.440 20 5 HIBDRN Cc1cn2c(nc(C)c2CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000538928816 938739725 /nfs/dbraw/zinc/73/97/25/938739725.db2.gz XGOUNHRTQQEJSL-GFCCVEGCSA-N 0 0 422.894 4.000 20 5 HIBDRN CCc1nc2ccccc2n1C1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000538952649 938747491 /nfs/dbraw/zinc/74/74/91/938747491.db2.gz ABDHFEJYHINTQF-INIZCTEOSA-N 0 0 421.501 4.171 20 5 HIBDRN CCCc1cc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n(C)n1 ZINC000538960929 938751354 /nfs/dbraw/zinc/75/13/54/938751354.db2.gz NUMMNSHUBDBKCC-CQSZACIVSA-N 0 0 408.462 4.101 20 5 HIBDRN CCc1nc2ccccc2n1C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000538964572 938753269 /nfs/dbraw/zinc/75/32/69/938753269.db2.gz MRZVHBKLOSZGIM-UHFFFAOYSA-N 0 0 423.473 4.385 20 5 HIBDRN Cc1nc(-c2cc3c(s2)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C3)cs1 ZINC000539013974 938768786 /nfs/dbraw/zinc/76/87/86/938768786.db2.gz JETIEFSZNLWPEU-UHFFFAOYSA-N 0 0 414.512 4.085 20 5 HIBDRN CC[C@@H](NCc1nnc(-c2ccc(Br)cc2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000539118932 938805369 /nfs/dbraw/zinc/80/53/69/938805369.db2.gz LFYSTAHPOKWBPN-MRXNPFEDSA-N 0 0 416.279 4.383 20 5 HIBDRN COCCOc1c(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000539141679 938810075 /nfs/dbraw/zinc/81/00/75/938810075.db2.gz PYFLPTVKQDAKLN-UHFFFAOYSA-N 0 0 403.193 4.318 20 5 HIBDRN COc1cc([C@H](C)NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1OC(C)C ZINC000539251741 938826083 /nfs/dbraw/zinc/82/60/83/938826083.db2.gz CDWZHROEJYDIMD-AWEZNQCLSA-N 0 0 412.446 4.291 20 5 HIBDRN CCOc1ccc(NC(=O)CN[C@@H](CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000539278170 938832083 /nfs/dbraw/zinc/83/20/83/938832083.db2.gz GAVVQVHCHPXZDR-INIZCTEOSA-N 0 0 411.380 4.215 20 5 HIBDRN CO[C@H]1CCC[C@@H]1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000539341403 938845101 /nfs/dbraw/zinc/84/51/01/938845101.db2.gz XJTJKFRAOOIZNI-HIFRSBDPSA-N 0 0 407.517 4.056 20 5 HIBDRN CC(C)CN(C(=O)[C@@H](C)c1cnn(C)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539356851 938847522 /nfs/dbraw/zinc/84/75/22/938847522.db2.gz MXZRLRFJZKTDQQ-AWEZNQCLSA-N 0 0 413.503 4.245 20 5 HIBDRN CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(Cl)c1 ZINC000539356652 938847653 /nfs/dbraw/zinc/84/76/53/938847653.db2.gz 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Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000539527487 938873561 /nfs/dbraw/zinc/87/35/61/938873561.db2.gz NHNYWQFMNCJINI-AUSIDOKSSA-N 0 0 412.486 4.265 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c1 ZINC000539526187 938873576 /nfs/dbraw/zinc/87/35/76/938873576.db2.gz SHUKIYJPEVKHSQ-LJAQVGFWSA-N 0 0 418.515 4.358 20 5 HIBDRN CCSc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000539539608 938875999 /nfs/dbraw/zinc/87/59/99/938875999.db2.gz CCMSEWPIYJQEJC-UHFFFAOYSA-N 0 0 421.906 4.449 20 5 HIBDRN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CN(c1nccs1)C2 ZINC000539647732 938893362 /nfs/dbraw/zinc/89/33/62/938893362.db2.gz GVPWWHUAELKQEZ-CQSZACIVSA-N 0 0 423.498 4.401 20 5 HIBDRN O=C(N[C@H]1CCCOc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1Br ZINC000539680458 938899575 /nfs/dbraw/zinc/89/95/75/938899575.db2.gz RFCTWUVUWSXKNE-HNNXBMFYSA-N 0 0 409.211 4.140 20 5 HIBDRN Cc1cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])nn1-c1ccc(Cl)cc1Cl 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ZINC000540473880 939266434 /nfs/dbraw/zinc/26/64/34/939266434.db2.gz WRNJVIZYINOLLK-SFHVURJKSA-N 0 0 404.463 4.448 20 5 HIBDRN CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540513178 939283797 /nfs/dbraw/zinc/28/37/97/939283797.db2.gz HQLLMNWXWBXTNE-UHFFFAOYSA-N 0 0 419.441 4.439 20 5 HIBDRN C[C@H](c1ccsc1)N1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000540566877 939306911 /nfs/dbraw/zinc/30/69/11/939306911.db2.gz GMRUNWIQDKRHAG-MRXNPFEDSA-N 0 0 422.510 4.237 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c1 ZINC000540614714 939320371 /nfs/dbraw/zinc/32/03/71/939320371.db2.gz XTHBQPJJJYXDRY-UHFFFAOYSA-N 0 0 409.320 4.471 20 5 HIBDRN CC[C@@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000540614793 939320414 /nfs/dbraw/zinc/32/04/14/939320414.db2.gz ZRAMDLZQSIXLMT-QGZVFWFLSA-N 0 0 408.458 4.330 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccccc2-c2nncn2C(C)C)c1 ZINC000540627499 939323211 /nfs/dbraw/zinc/32/32/11/939323211.db2.gz YDVDTXQLCUPZDN-UHFFFAOYSA-N 0 0 409.446 4.150 20 5 HIBDRN COc1cc2c(c(OC)c1OC)CCN(c1cc(C)nc3c1cccc3[N+](=O)[O-])CC2 ZINC000540647591 939329611 /nfs/dbraw/zinc/32/96/11/939329611.db2.gz QKJJQZJDHOZLOJ-UHFFFAOYSA-N 0 0 423.469 4.082 20 5 HIBDRN CC(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c(F)c1 ZINC000540700669 939343193 /nfs/dbraw/zinc/34/31/93/939343193.db2.gz GOCDTIDLUDFWRX-UHFFFAOYSA-N 0 0 406.369 4.420 20 5 HIBDRN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)nn1-c1ccc(F)cc1 ZINC000540735084 939353323 /nfs/dbraw/zinc/35/33/23/939353323.db2.gz ORWDZDZHYIPHAH-UHFFFAOYSA-N 0 0 406.320 4.082 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000540777442 939368571 /nfs/dbraw/zinc/36/85/71/939368571.db2.gz FLIXMKFHFCJSKA-IRXDYDNUSA-N 0 0 424.423 4.270 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000540861552 939399596 /nfs/dbraw/zinc/39/95/96/939399596.db2.gz 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Cn1cc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(-c2ccccc2)n1 ZINC000541070977 939449762 /nfs/dbraw/zinc/44/97/62/939449762.db2.gz QPUGUTXSNBDXAU-UHFFFAOYSA-N 0 0 419.466 4.049 20 5 HIBDRN O=[N+]([O-])c1ccc(CSCc2ccc(S(=O)(=O)N3CCCC3)o2)c(Cl)c1 ZINC000541074032 939451481 /nfs/dbraw/zinc/45/14/81/939451481.db2.gz LYKSTUZMUHFXAT-UHFFFAOYSA-N 0 0 416.908 4.059 20 5 HIBDRN COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)cn2)c1 ZINC000541101335 939460225 /nfs/dbraw/zinc/46/02/25/939460225.db2.gz ODHBHDXCBPPHHO-UHFFFAOYSA-N 0 0 424.413 4.121 20 5 HIBDRN CCCCN(C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H](CC)c1ccccc1 ZINC000541145858 939475764 /nfs/dbraw/zinc/47/57/64/939475764.db2.gz AQLBQODICUHCRD-GOSISDBHSA-N 0 0 413.474 4.322 20 5 HIBDRN CCCc1c(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000541249259 939487541 /nfs/dbraw/zinc/48/75/41/939487541.db2.gz LUCXJKRIBUQFRH-UHFFFAOYSA-N 0 0 424.457 4.393 20 5 HIBDRN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCCC[C@@H]1/C=C/c1cccs1 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Cc1cccc(CN(Cc2cccc(C)n2)C(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC000541305035 939490346 /nfs/dbraw/zinc/49/03/46/939490346.db2.gz YNJMUDTUYKLVLH-UHFFFAOYSA-N 0 0 422.510 4.323 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC[C@H]2c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000541527901 939544686 /nfs/dbraw/zinc/54/46/86/939544686.db2.gz MREFJOFZRONQEX-VIFPVBQESA-N 0 0 413.297 4.243 20 5 HIBDRN CCc1ccc([C@H](NCc2cn(C)nc2C(F)(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541565224 939556697 /nfs/dbraw/zinc/55/66/97/939556697.db2.gz DLQGHXYRENEYIJ-QGZVFWFLSA-N 0 0 408.380 4.382 20 5 HIBDRN Cc1c(Br)c(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] ZINC000541576272 939559240 /nfs/dbraw/zinc/55/92/40/939559240.db2.gz FDTXFXAURRGVTK-ZUZCIYMTSA-N 0 0 410.243 4.166 20 5 HIBDRN Cc1nc2ccccc2n1CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000541587211 939561032 /nfs/dbraw/zinc/56/10/32/939561032.db2.gz XPRBBKNNZABQGA-UHFFFAOYSA-N 0 0 407.352 4.093 20 5 HIBDRN CSCC(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])c(C)c2Br)cc1 ZINC000541591538 939562170 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ZINC000542018659 939688309 /nfs/dbraw/zinc/68/83/09/939688309.db2.gz XJCVNYRRJRCVQB-ZDUSSCGKSA-N 0 0 408.401 4.030 20 5 HIBDRN COc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000542027619 939691627 /nfs/dbraw/zinc/69/16/27/939691627.db2.gz ZTDRYPXCAJJNSP-KRWDZBQOSA-N 0 0 409.801 4.001 20 5 HIBDRN CC[C@H](NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000542029522 939692444 /nfs/dbraw/zinc/69/24/44/939692444.db2.gz XRBDWOUKXSYDID-VIFPVBQESA-N 0 0 404.370 4.352 20 5 HIBDRN COc1ccc(NC(=O)N(Cc2cccc(C)n2)Cc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000542029434 939692630 /nfs/dbraw/zinc/69/26/30/939692630.db2.gz LGKOTEIDHOURRH-UHFFFAOYSA-N 0 0 421.457 4.245 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccc(Sc3ccncc3)cc2)s1 ZINC000542104898 939715297 /nfs/dbraw/zinc/71/52/97/939715297.db2.gz VYUCVUKOWFYZHT-UHFFFAOYSA-N 0 0 408.482 4.398 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(CCCn2ccnc2)CC1 ZINC000542181840 939747379 /nfs/dbraw/zinc/74/73/79/939747379.db2.gz 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O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000542205047 939756340 /nfs/dbraw/zinc/75/63/40/939756340.db2.gz YSMOKCGXYUNCSB-QGZVFWFLSA-N 0 0 413.302 4.248 20 5 HIBDRN CSc1c(F)cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000542206617 939756709 /nfs/dbraw/zinc/75/67/09/939756709.db2.gz VPWSJTRMAZGBIQ-UHFFFAOYSA-N 0 0 407.442 4.450 20 5 HIBDRN O=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000542233297 939768244 /nfs/dbraw/zinc/76/82/44/939768244.db2.gz JVMRKHUAAIETJR-UHFFFAOYSA-N 0 0 417.343 4.467 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCc3c(ncn3CCc3ccccc3)C2)cc1OC(F)F ZINC000542279466 939783692 /nfs/dbraw/zinc/78/36/92/939783692.db2.gz XVWOEWZGOVOJAP-UHFFFAOYSA-N 0 0 414.412 4.198 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000563736072 945273877 /nfs/dbraw/zinc/27/38/77/945273877.db2.gz ZPQCJAWRHRSIGV-YKSBVNFPSA-N 0 0 423.465 4.458 20 5 HIBDRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000542365293 939808352 /nfs/dbraw/zinc/80/83/52/939808352.db2.gz VGEITMVHMWHFJF-TZIWHRDSSA-N 0 0 420.469 4.016 20 5 HIBDRN CN(CC(=O)N1CCC[C@@H]1c1ccc(Br)s1)c1ccccc1[N+](=O)[O-] ZINC000542418485 939818140 /nfs/dbraw/zinc/81/81/40/939818140.db2.gz SIPOJINWBYPLJF-CQSZACIVSA-N 0 0 424.320 4.219 20 5 HIBDRN CCc1ccc([C@@H](NCCC(=O)NCc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475745 939829374 /nfs/dbraw/zinc/82/93/74/939829374.db2.gz GVNBOYQZSWJVKX-QHCPKHFHSA-N 0 0 407.470 4.136 20 5 HIBDRN Cc1ccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)c(O[C@@H]2CCOC2)c1 ZINC000542506175 939834265 /nfs/dbraw/zinc/83/42/65/939834265.db2.gz ANLNHZDXYQDCDA-CQSZACIVSA-N 0 0 422.279 4.149 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000542514173 939835341 /nfs/dbraw/zinc/83/53/41/939835341.db2.gz AIMHENWANCCHOF-ORAYPTAESA-N 0 0 402.422 4.218 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000542513591 939835362 /nfs/dbraw/zinc/83/53/62/939835362.db2.gz GZZDTQATFUWRDB-YJYMSZOUSA-N 0 0 402.422 4.218 20 5 HIBDRN Cn1ccnc1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542525570 939837280 /nfs/dbraw/zinc/83/72/80/939837280.db2.gz IDFLKRVMPOKBDY-INIZCTEOSA-N 0 0 414.531 4.240 20 5 HIBDRN C[C@H](C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542526784 939837293 /nfs/dbraw/zinc/83/72/93/939837293.db2.gz WLZRVGISFOESCK-WQRJOSILSA-N 0 0 410.804 4.276 20 5 HIBDRN Cn1ccnc1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542525575 939837467 /nfs/dbraw/zinc/83/74/67/939837467.db2.gz IDFLKRVMPOKBDY-MRXNPFEDSA-N 0 0 414.531 4.240 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n(-c2ccccc2)n1 ZINC000542528601 939837588 /nfs/dbraw/zinc/83/75/88/939837588.db2.gz XBRNAFVGYDINQY-HOCLYGCPSA-N 0 0 410.449 4.079 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000542548571 939841972 /nfs/dbraw/zinc/84/19/72/939841972.db2.gz 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ZINC000543001734 939894088 /nfs/dbraw/zinc/89/40/88/939894088.db2.gz VKTJRSGLVDPRFE-SFHVURJKSA-N 0 0 419.865 4.051 20 5 HIBDRN Cc1nc(-c2ccc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)cs1 ZINC000543019429 939896040 /nfs/dbraw/zinc/89/60/40/939896040.db2.gz IWKRMLQVMBBKAT-UHFFFAOYSA-N 0 0 409.514 4.104 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000543114739 939953319 /nfs/dbraw/zinc/95/33/19/939953319.db2.gz PVMYGGVRWCKLDY-UHFFFAOYSA-N 0 0 400.287 4.316 20 5 HIBDRN O=c1c2cc3ccccc3cc2ncn1C[C@H](O)COc1ccccc1C(F)(F)F ZINC000543119948 939955189 /nfs/dbraw/zinc/95/51/89/939955189.db2.gz IRRYWRKTBRGZPM-INIZCTEOSA-N 0 0 414.383 4.008 20 5 HIBDRN COc1ccc([C@H](OC)[C@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000543128379 939960176 /nfs/dbraw/zinc/96/01/76/939960176.db2.gz FEHINVPEVOMLSE-HXPMCKFVSA-N 0 0 424.906 4.241 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](COc2ccccc2)C1 ZINC000543128282 939960501 /nfs/dbraw/zinc/96/05/01/939960501.db2.gz 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HIBDRN CCCc1c(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1cc(C)ccn1 ZINC000546221086 940733933 /nfs/dbraw/zinc/73/39/33/940733933.db2.gz LJQCGANILLMUEE-HNNXBMFYSA-N 0 0 408.462 4.319 20 5 HIBDRN CC[C@@H](C)c1ccccc1N1C[C@@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)CC1=O ZINC000546257799 940750789 /nfs/dbraw/zinc/75/07/89/940750789.db2.gz JLMDOWAIIMWZJQ-HIFRSBDPSA-N 0 0 421.457 4.261 20 5 HIBDRN CCCc1noc2nc(C3CC3)cc(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)c12 ZINC000546257018 940750803 /nfs/dbraw/zinc/75/08/03/940750803.db2.gz GAEMTDCIWQYRKO-UHFFFAOYSA-N 0 0 406.402 4.260 20 5 HIBDRN CN(C(=O)c1cccc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1)c1ccccc1 ZINC000546257651 940750843 /nfs/dbraw/zinc/75/08/43/940750843.db2.gz XKWSFEZPFWGFFV-UHFFFAOYSA-N 0 0 415.409 4.171 20 5 HIBDRN COc1cc(-c2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)ccc1F ZINC000546285268 940764598 /nfs/dbraw/zinc/76/45/98/940764598.db2.gz OUBYXNDXFIEETD-UHFFFAOYSA-N 0 0 423.404 4.321 20 5 HIBDRN 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ZINC000546471542 940829199 /nfs/dbraw/zinc/82/91/99/940829199.db2.gz DFUYWEJWNORKJG-UHFFFAOYSA-N 0 0 422.210 4.070 20 5 HIBDRN Cn1cc([N+](=O)[O-])cc1-c1nc(-c2cc(Cl)ccc2OCC(F)(F)F)no1 ZINC000546471335 940829259 /nfs/dbraw/zinc/82/92/59/940829259.db2.gz WGHHFUBUNWDMBT-UHFFFAOYSA-N 0 0 402.716 4.245 20 5 HIBDRN COc1ccc(Cl)cc1NCCc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000546485926 940833214 /nfs/dbraw/zinc/83/32/14/940833214.db2.gz HFABUUKXZILRLB-UHFFFAOYSA-N 0 0 402.838 4.194 20 5 HIBDRN Cc1ccc(-n2ccnc2SCc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1C ZINC000546490769 940834877 /nfs/dbraw/zinc/83/48/77/940834877.db2.gz MMITZACRUIQGRH-UHFFFAOYSA-N 0 0 422.470 4.058 20 5 HIBDRN C[C@H]1C[C@@H](c2noc(-c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)n2)CCO1 ZINC000546512484 940839898 /nfs/dbraw/zinc/83/98/98/940839898.db2.gz CIKWRIUTAYRRAW-UWVGGRQHSA-N 0 0 424.244 4.420 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc(-c2cnc(Oc3ccccc3)cn2)no1 ZINC000546520894 940842224 /nfs/dbraw/zinc/84/22/24/940842224.db2.gz PCFWVXRSOCCJCO-UHFFFAOYSA-N 0 0 400.354 4.375 20 5 HIBDRN CO[C@H](c1noc(-c2cc([N+](=O)[O-])ccc2C)n1)c1ccc(Br)cc1 ZINC000546521836 940842728 /nfs/dbraw/zinc/84/27/28/940842728.db2.gz OGQYKRCDKFUKBQ-HNNXBMFYSA-N 0 0 404.220 4.452 20 5 HIBDRN CC(C)Cc1ccc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)cc1 ZINC000546528124 940844406 /nfs/dbraw/zinc/84/44/06/940844406.db2.gz INRSEBFGBNPTAC-UHFFFAOYSA-N 0 0 411.483 4.015 20 5 HIBDRN CC(C)(C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000546535081 940846441 /nfs/dbraw/zinc/84/64/41/940846441.db2.gz KMTAWKCWDVALHW-UHFFFAOYSA-N 0 0 409.421 4.313 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4cccc(OC[C@@H]5CCCO5)c4)n3)c2c1 ZINC000546558170 940852280 /nfs/dbraw/zinc/85/22/80/940852280.db2.gz GAJJVECBJWMCTE-SFHVURJKSA-N 0 0 420.425 4.275 20 5 HIBDRN Cc1cc(Cc2noc(-c3n[nH]c(C(C)C)c3Br)n2)ccc1[N+](=O)[O-] ZINC000546558443 940852597 /nfs/dbraw/zinc/85/25/97/940852597.db2.gz UURIBRFMYFSZRE-UHFFFAOYSA-N 0 0 406.240 4.153 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ncnc3cc(F)c(Br)cc32)c1 ZINC000546568627 940855452 /nfs/dbraw/zinc/85/54/52/940855452.db2.gz DLCXHYLBVJZQJR-UHFFFAOYSA-N 0 0 422.166 4.019 20 5 HIBDRN C[C@H](NC(=O)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000546574241 940856124 /nfs/dbraw/zinc/85/61/24/940856124.db2.gz HQRGYFRGMYUGOT-ORAYPTAESA-N 0 0 413.865 4.132 20 5 HIBDRN C[C@@H](NC(=O)N[C@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000546574242 940856166 /nfs/dbraw/zinc/85/61/66/940856166.db2.gz HQRGYFRGMYUGOT-YJYMSZOUSA-N 0 0 413.865 4.132 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OC(F)F)c(OC)c1 ZINC000546608901 940860704 /nfs/dbraw/zinc/86/07/04/940860704.db2.gz MRAWQILBYKEDTD-OAHLLOKOSA-N 0 0 408.401 4.090 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c2cccnc12 ZINC000546726609 940873600 /nfs/dbraw/zinc/87/36/00/940873600.db2.gz ZLSGWNOEIKDIPL-UHFFFAOYSA-N 0 0 413.455 4.142 20 5 HIBDRN Cc1cccn2cc(-c3ccc(NS(=O)(=O)Cc4ccccc4[N+](=O)[O-])cc3)nc12 ZINC000546794536 940884338 /nfs/dbraw/zinc/88/43/38/940884338.db2.gz KTYAXSKLVQAMFL-UHFFFAOYSA-N 0 0 422.466 4.160 20 5 HIBDRN C[C@H](C(=O)NCCCCc1nc(-c2cccnc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000564031045 945357522 /nfs/dbraw/zinc/35/75/22/945357522.db2.gz SKOLLEIUTYERJC-HNNXBMFYSA-N 0 0 410.499 4.356 20 5 HIBDRN COc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1OC(C)C ZINC000546868321 940898257 /nfs/dbraw/zinc/89/82/57/940898257.db2.gz GCJDSGDRMFIWDO-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN COc1cc(/C=C/c2nc(Cc3ccccc3[N+](=O)[O-])no2)ccc1OC(F)F ZINC000546942067 940920340 /nfs/dbraw/zinc/92/03/40/940920340.db2.gz UJVSHWPUSARELL-VQHVLOKHSA-N 0 0 403.341 4.349 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000546949861 940923910 /nfs/dbraw/zinc/92/39/10/940923910.db2.gz INWSYYIZICZTJT-SNVBAGLBSA-N 0 0 409.368 4.096 20 5 HIBDRN CCC(=O)Nc1cccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 ZINC000546976219 940932774 /nfs/dbraw/zinc/93/27/74/940932774.db2.gz IVWPGSASMYSGMY-UHFFFAOYSA-N 0 0 407.430 4.261 20 5 HIBDRN COc1cc(-c2nc(Cc3ccc(OCc4ccccn4)cc3)no2)ccc1[N+](=O)[O-] ZINC000546985464 940940242 /nfs/dbraw/zinc/94/02/42/940940242.db2.gz JZSGPFNMDIVQNR-UHFFFAOYSA-N 0 0 418.409 4.218 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCc1nc(Cc2ccc(OCc3ccccn3)cc2)no1 ZINC000546985548 940940256 /nfs/dbraw/zinc/94/02/56/940940256.db2.gz UMAVPCZVNGQVAS-UHFFFAOYSA-N 0 0 417.425 4.155 20 5 HIBDRN Cc1c(-c2nc(Cc3nc(=O)c4c(C5CC5)csc4[nH]3)no2)cccc1[N+](=O)[O-] ZINC000546987813 940941329 /nfs/dbraw/zinc/94/13/29/940941329.db2.gz HVBYDPKVDNGUEI-UHFFFAOYSA-N 0 0 409.427 4.132 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(-c3nc(-c4ccc5c(c4)CC(=O)N5)no3)cc2[N+](=O)[O-])C1 ZINC000546991538 940944985 /nfs/dbraw/zinc/94/49/85/940944985.db2.gz PUSSARVLOCQOIA-CYBMUJFWSA-N 0 0 419.441 4.043 20 5 HIBDRN COc1ccc(Cc2nc(Cc3nc4cc(Cl)ccc4s3)no2)cc1[N+](=O)[O-] ZINC000547006013 940952186 /nfs/dbraw/zinc/95/21/86/940952186.db2.gz SUJBVSFRANMTDV-UHFFFAOYSA-N 0 0 416.846 4.431 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(Cc4coc(-c5cccs5)n4)no3)c2c1 ZINC000547005961 940952480 /nfs/dbraw/zinc/95/24/80/940952480.db2.gz RANVBNDYRZWSDO-UHFFFAOYSA-N 0 0 407.411 4.357 20 5 HIBDRN CNc1ccc(-c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)cc1[N+](=O)[O-] ZINC000547023883 940961865 /nfs/dbraw/zinc/96/18/65/940961865.db2.gz NMYJKGAFQVLQTC-UHFFFAOYSA-N 0 0 405.370 4.199 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCC4CC4)nc3)no2)c(Br)c1 ZINC000547065054 940980921 /nfs/dbraw/zinc/98/09/21/940980921.db2.gz YMKRCNQUWGCRBU-UHFFFAOYSA-N 0 0 417.219 4.258 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(-c3nc(-c4ccnc(OCC(F)(F)F)c4)no3)cc2c1 ZINC000547082436 940988006 /nfs/dbraw/zinc/98/80/06/940988006.db2.gz QBAWVPPCILGNCX-UHFFFAOYSA-N 0 0 406.276 4.394 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCc1nc(Cc2ccc(F)c(Br)c2)no1 ZINC000547084226 940988581 /nfs/dbraw/zinc/98/85/81/940988581.db2.gz JHXYQXOHNAQQRP-UHFFFAOYSA-N 0 0 407.199 4.082 20 5 HIBDRN CSc1ccc(O[C@@H](C)c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1 ZINC000547088070 940990526 /nfs/dbraw/zinc/99/05/26/940990526.db2.gz VQILRNXZNAJMNU-ZDUSSCGKSA-N 0 0 400.460 4.494 20 5 HIBDRN COc1ccc([C@H]2[C@H](c3nc(-c4ccc([N+](=O)[O-])cc4C)no3)CCC(=O)N2C)cc1 ZINC000547107078 940998943 /nfs/dbraw/zinc/99/89/43/940998943.db2.gz HRQLBSMXEOXRIR-QUCCMNQESA-N 0 0 422.441 4.039 20 5 HIBDRN COc1ccc([C@H]2[C@@H](c3nc(-c4ccc([N+](=O)[O-])cc4C)no3)CCC(=O)N2C)cc1 ZINC000547107077 940999433 /nfs/dbraw/zinc/99/94/33/940999433.db2.gz HRQLBSMXEOXRIR-ICSRJNTNSA-N 0 0 422.441 4.039 20 5 HIBDRN Cc1cccnc1/C=C/c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000547151751 941012791 /nfs/dbraw/zinc/01/27/91/941012791.db2.gz WOFIIWWVIXXXSZ-VOTSOKGWSA-N 0 0 401.220 4.205 20 5 HIBDRN CCO[C@@H](Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)C1=CCCC1 ZINC000547175113 941021567 /nfs/dbraw/zinc/02/15/67/941021567.db2.gz FRILPDZVNGUQQV-INIZCTEOSA-N 0 0 422.279 4.389 20 5 HIBDRN COc1cc(Cc2noc(Cc3cccc(OCC(F)(F)F)c3)n2)ccc1[N+](=O)[O-] ZINC000547176533 941022006 /nfs/dbraw/zinc/02/20/06/941022006.db2.gz 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ZINC000547264163 941047515 /nfs/dbraw/zinc/04/75/15/941047515.db2.gz WCOQSWDAQMIDOA-UHFFFAOYSA-N 0 0 422.351 4.181 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(Cc4ccc(OC(F)F)cc4)n3)c2c1 ZINC000547264499 941047679 /nfs/dbraw/zinc/04/76/79/941047679.db2.gz CIZYBLPFRJIXRX-UHFFFAOYSA-N 0 0 400.341 4.242 20 5 HIBDRN Cc1ccncc1N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000547336156 941056746 /nfs/dbraw/zinc/05/67/46/941056746.db2.gz KNQJRMWQJWXRTF-UHFFFAOYSA-N 0 0 422.407 4.196 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000547371999 941059110 /nfs/dbraw/zinc/05/91/10/941059110.db2.gz DPEBHGVNHXXPKE-UHFFFAOYSA-N 0 0 415.446 4.361 20 5 HIBDRN COc1ccc(CC(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000548067351 941085366 /nfs/dbraw/zinc/08/53/66/941085366.db2.gz FCWFSXCUDIFQBB-UHFFFAOYSA-N 0 0 408.376 4.013 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000548447604 941104698 /nfs/dbraw/zinc/10/46/98/941104698.db2.gz 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WWUSOBYYJISMKA-ICSRJNTNSA-N 0 0 407.474 4.088 20 5 HIBDRN C[C@H]1CCO[C@H]1c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCc1ccccc1 ZINC000549538928 941198603 /nfs/dbraw/zinc/19/86/03/941198603.db2.gz CCWUDCAWMWYAAB-LAUBAEHRSA-N 0 0 421.501 4.163 20 5 HIBDRN CCc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)cc1 ZINC000549661626 941203441 /nfs/dbraw/zinc/20/34/41/941203441.db2.gz SMLHYRZZFPERKP-IBGZPJMESA-N 0 0 421.501 4.089 20 5 HIBDRN Cc1cccc(C(=O)N2CCCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)c1 ZINC000549770378 941207017 /nfs/dbraw/zinc/20/70/17/941207017.db2.gz AKINZJPLKOCTJE-UHFFFAOYSA-N 0 0 421.419 4.270 20 5 HIBDRN CC(=O)c1ccc(OC[C@H](O)COC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000549784672 941207442 /nfs/dbraw/zinc/20/74/42/941207442.db2.gz FQGIMRHXGOMNAL-NRFANRHFSA-N 0 0 421.449 4.343 20 5 HIBDRN O=C(NCCCO)c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000550072459 941279850 /nfs/dbraw/zinc/27/98/50/941279850.db2.gz IKANFCBZMMUAMQ-UHFFFAOYSA-N 0 0 411.483 4.048 20 5 HIBDRN Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)cc1[N+](=O)[O-] ZINC000550099958 941284596 /nfs/dbraw/zinc/28/45/96/941284596.db2.gz GCOSFWVLFXFYAA-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN CCc1noc(C)c1CNCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000550238685 941302641 /nfs/dbraw/zinc/30/26/41/941302641.db2.gz GLNMJUGPWBEPHH-UHFFFAOYSA-N 0 0 411.458 4.331 20 5 HIBDRN COc1ccc(CNC(=O)NCc2cccc(OCc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000550390806 941321152 /nfs/dbraw/zinc/32/11/52/941321152.db2.gz JKWHFEOBQRWNKF-UHFFFAOYSA-N 0 0 421.453 4.182 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000550545860 941337093 /nfs/dbraw/zinc/33/70/93/941337093.db2.gz YUCWJSDQBQXCBP-MRXNPFEDSA-N 0 0 416.302 4.106 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1cnc2ccccc2c1 ZINC000550557705 941338315 /nfs/dbraw/zinc/33/83/15/941338315.db2.gz LIDWMZANNIMEBP-UHFFFAOYSA-N 0 0 400.232 4.144 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000550693595 941354572 /nfs/dbraw/zinc/35/45/72/941354572.db2.gz RFZYUZWPPFJFHT-OAHLLOKOSA-N 0 0 402.516 4.426 20 5 HIBDRN Cc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)n[nH]2)cc1 ZINC000550706681 941356850 /nfs/dbraw/zinc/35/68/50/941356850.db2.gz HAUGBKPRDLTTJY-UHFFFAOYSA-N 0 0 416.235 4.012 20 5 HIBDRN CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000550791328 941366876 /nfs/dbraw/zinc/36/68/76/941366876.db2.gz FXNZEMHTQZHZCL-UHFFFAOYSA-N 0 0 402.394 4.012 20 5 HIBDRN CC(C)(NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cccc(C(F)(F)F)c1 ZINC000550885227 941379397 /nfs/dbraw/zinc/37/93/97/941379397.db2.gz SAFIROAOYHEAPI-UHFFFAOYSA-N 0 0 418.375 4.464 20 5 HIBDRN C[C@H](CO)NC(=O)c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000551090650 941407929 /nfs/dbraw/zinc/40/79/29/941407929.db2.gz CSSILIZPLFBFPK-CQSZACIVSA-N 0 0 411.483 4.046 20 5 HIBDRN Cc1ccccc1Cc1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000551397790 941469425 /nfs/dbraw/zinc/46/94/25/941469425.db2.gz PKEOFRYFQALGLQ-LJQANCHMSA-N 0 0 406.442 4.163 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000551401556 941470034 /nfs/dbraw/zinc/47/00/34/941470034.db2.gz HBDQVHVOPCVEFA-HXUWFJFHSA-N 0 0 407.392 4.081 20 5 HIBDRN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)N(Cc1ccco1)Cc1ccccc1 ZINC000551423932 941476394 /nfs/dbraw/zinc/47/63/94/941476394.db2.gz PUDZAVRDSWLZRJ-UHFFFAOYSA-N 0 0 416.437 4.280 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000551428701 941477202 /nfs/dbraw/zinc/47/72/02/941477202.db2.gz QUEKTACOUYBBJJ-SFHVURJKSA-N 0 0 413.449 4.164 20 5 HIBDRN CCc1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1CC ZINC000551475666 941487234 /nfs/dbraw/zinc/48/72/34/941487234.db2.gz BTXGOSPEGWNVKH-UHFFFAOYSA-N 0 0 420.263 4.059 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1Cc2cccnc2C1 ZINC000552029580 941570688 /nfs/dbraw/zinc/57/06/88/941570688.db2.gz AEAMAULHPUXZNQ-UHFFFAOYSA-N 0 0 408.845 4.411 20 5 HIBDRN Cn1ccnc1[C@@H](NCCc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000552043415 941572573 /nfs/dbraw/zinc/57/25/73/941572573.db2.gz LWDLVOFMCMGGQP-SFHVURJKSA-N 0 0 415.291 4.013 20 5 HIBDRN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000552058453 941576423 /nfs/dbraw/zinc/57/64/23/941576423.db2.gz JZNVZCKPKXVDGL-PWIZWCRZSA-N 0 0 408.458 4.086 20 5 HIBDRN Cn1ccnc1[C@H](NCCCO[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000552062045 941576911 /nfs/dbraw/zinc/57/69/11/941576911.db2.gz JIQBVMRYJHYIMM-DHIUTWEWSA-N 0 0 420.513 4.492 20 5 HIBDRN Cn1ccnc1[C@@H](NCCCO[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000552062046 941576968 /nfs/dbraw/zinc/57/69/68/941576968.db2.gz JIQBVMRYJHYIMM-GOTSBHOMSA-N 0 0 420.513 4.492 20 5 HIBDRN CCOc1ccc([C@@H](C)Nc2cc(F)c(N3CCOCC3)cc2F)cc1[N+](=O)[O-] ZINC000552087719 941582637 /nfs/dbraw/zinc/58/26/37/941582637.db2.gz OWQXUDBRKKBAAY-CYBMUJFWSA-N 0 0 407.417 4.281 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@H](c4cccc(F)c4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000552186018 941598586 /nfs/dbraw/zinc/59/85/86/941598586.db2.gz MPAVAFLMUMUVTQ-FQEVSTJZSA-N 0 0 422.460 4.225 20 5 HIBDRN Cn1ccnc1[C@H](NCc1cc(Br)cs1)c1cccc([N+](=O)[O-])c1 ZINC000552224012 941607897 /nfs/dbraw/zinc/60/78/97/941607897.db2.gz BOKNZRIKRMMYFL-OAHLLOKOSA-N 0 0 407.293 4.032 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000552224305 941607916 /nfs/dbraw/zinc/60/79/16/941607916.db2.gz RVZBXABCKFPJKF-KRWDZBQOSA-N 0 0 406.364 4.106 20 5 HIBDRN Cn1ccnc1[C@H](NCCCCc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000552282767 941622140 /nfs/dbraw/zinc/62/21/40/941622140.db2.gz NAFUUIXPYGQCTH-HXUWFJFHSA-N 0 0 400.429 4.308 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000552315274 941630070 /nfs/dbraw/zinc/63/00/70/941630070.db2.gz BCKSDZZQBLQXLK-KRWDZBQOSA-N 0 0 413.474 4.093 20 5 HIBDRN C[C@@H]1COCC[C@H]1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000552336351 941635802 /nfs/dbraw/zinc/63/58/02/941635802.db2.gz ZYTGXPAZALARGJ-ZBFHGGJFSA-N 0 0 417.893 4.263 20 5 HIBDRN Cc1n[nH]cc1C1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000552396901 941657232 /nfs/dbraw/zinc/65/72/32/941657232.db2.gz KBWFBWPABOFRSY-UHFFFAOYSA-N 0 0 419.485 4.258 20 5 HIBDRN CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)s1 ZINC000552398720 941657298 /nfs/dbraw/zinc/65/72/98/941657298.db2.gz UPPDYOQQFPGJKJ-UHFFFAOYSA-N 0 0 419.507 4.225 20 5 HIBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccc(Oc2cccc3ccccc32)c1 ZINC000552436370 941671863 /nfs/dbraw/zinc/67/18/63/941671863.db2.gz AILRGOAKGDQGTJ-UHFFFAOYSA-N 0 0 402.410 4.204 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000552470960 941680578 /nfs/dbraw/zinc/68/05/78/941680578.db2.gz GDCFEYCFVTUDHJ-CQSZACIVSA-N 0 0 418.515 4.177 20 5 HIBDRN CC(C)C(=O)NCCN(C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000552485784 941685504 /nfs/dbraw/zinc/68/55/04/941685504.db2.gz LZEQLUITWYQLAN-UHFFFAOYSA-N 0 0 405.882 4.245 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccc(CS(C)(=O)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000552529648 941697290 /nfs/dbraw/zinc/69/72/90/941697290.db2.gz XUHMFTAVDVKHRK-UHFFFAOYSA-N 0 0 416.455 4.020 20 5 HIBDRN Cc1c(NC(=O)C2CCC(OC(F)F)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000552533258 941699639 /nfs/dbraw/zinc/69/96/39/941699639.db2.gz DHXQSBGZJXSGER-UHFFFAOYSA-N 0 0 407.211 4.402 20 5 HIBDRN C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1OCCc2sccc21 ZINC000552609935 941722446 /nfs/dbraw/zinc/72/24/46/941722446.db2.gz XORVNMKTQQBAIM-PIGZYNQJSA-N 0 0 415.496 4.212 20 5 HIBDRN COc1cc(C(=O)N2CCC(c3ccc(F)cc3C)CC2)cc([N+](=O)[O-])c1OC ZINC000552625713 941726360 /nfs/dbraw/zinc/72/63/60/941726360.db2.gz OPWAHEYOKBFXNB-UHFFFAOYSA-N 0 0 402.422 4.079 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000552643527 941729382 /nfs/dbraw/zinc/72/93/82/941729382.db2.gz BBSXKETZNLVXCI-CYBMUJFWSA-N 0 0 410.373 4.095 20 5 HIBDRN CCOc1cc(N(CC)CC(=O)Nc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000552698091 941739790 /nfs/dbraw/zinc/73/97/90/941739790.db2.gz SFZCXSRJTPTFTD-UHFFFAOYSA-N 0 0 411.380 4.477 20 5 HIBDRN CCOC1CC2(C1)CCN(C(=O)c1ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c1)C2 ZINC000552707997 941741928 /nfs/dbraw/zinc/74/19/28/941741928.db2.gz OLJJJLQWZYHIIF-UCFGSXESSA-N 0 0 415.534 4.108 20 5 HIBDRN CC(C)(C(=O)NCc1ccncc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000552712102 941742986 /nfs/dbraw/zinc/74/29/86/941742986.db2.gz KAFLEEHGPDNSFJ-UHFFFAOYSA-N 0 0 423.444 4.302 20 5 HIBDRN COc1ccc(CC(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)cc1[N+](=O)[O-] ZINC000552713281 941743451 /nfs/dbraw/zinc/74/34/51/941743451.db2.gz PFAYBMGUGMTISZ-UHFFFAOYSA-N 0 0 406.841 4.377 20 5 HIBDRN CCOc1ccc(C(C)(C)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1OCC ZINC000552735976 941748408 /nfs/dbraw/zinc/74/84/08/941748408.db2.gz HTWQSQUUNRLLOM-UHFFFAOYSA-N 0 0 414.502 4.371 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC=C(c2ccccn2)C1 ZINC000552741040 941749404 /nfs/dbraw/zinc/74/94/04/941749404.db2.gz VCECFFDCCBCPDN-UHFFFAOYSA-N 0 0 420.391 4.127 20 5 HIBDRN Cc1nn(CCC(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)c(C)c1[N+](=O)[O-] ZINC000552760488 941754925 /nfs/dbraw/zinc/75/49/25/941754925.db2.gz HKTRKWXORSHGHL-UHFFFAOYSA-N 0 0 417.828 4.291 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ncc(-c3ccccn3)s2)cc1[N+](=O)[O-] ZINC000552770055 941757720 /nfs/dbraw/zinc/75/77/20/941757720.db2.gz NUSKVUGLRTYAIR-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN COc1cc(C(=O)NC2(Cc3ccc(Cl)cc3)CCC2)cc([N+](=O)[O-])c1OC ZINC000552836176 941782334 /nfs/dbraw/zinc/78/23/34/941782334.db2.gz PPOUSDNWVUZSSZ-UHFFFAOYSA-N 0 0 404.850 4.161 20 5 HIBDRN Cc1nn(CCC(=O)N(CCC(C)C)c2nnc(C)c3ccccc32)c(C)c1[N+](=O)[O-] ZINC000552849709 941787572 /nfs/dbraw/zinc/78/75/72/941787572.db2.gz VOJXBXWGOMPKBT-UHFFFAOYSA-N 0 0 424.505 4.129 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1nnc2sc3ccccc3n12 ZINC000552909527 941801731 /nfs/dbraw/zinc/80/17/31/941801731.db2.gz FENSHEWKWJCPSB-UHFFFAOYSA-N 0 0 400.441 4.098 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)cc1[N+](=O)[O-] ZINC000552921358 941803406 /nfs/dbraw/zinc/80/34/06/941803406.db2.gz MAOBMSFUGZTZCZ-UHFFFAOYSA-N 0 0 418.453 4.204 20 5 HIBDRN COC(=O)c1cc(C)nc(N2CCC(c3c(C)[nH]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000552953499 941807341 /nfs/dbraw/zinc/80/73/41/941807341.db2.gz SDERQLOTCZQYAN-UHFFFAOYSA-N 0 0 408.458 4.259 20 5 HIBDRN CCCN1C(=O)CCc2cc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc21 ZINC000553041345 941823114 /nfs/dbraw/zinc/82/31/14/941823114.db2.gz PFBWUTDKJSQZQV-UHFFFAOYSA-N 0 0 422.485 4.481 20 5 HIBDRN O=C(Nc1ncc(-c2cccnc2)s1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000553104021 941833476 /nfs/dbraw/zinc/83/34/76/941833476.db2.gz HXHHSMSLMYCTTH-UHFFFAOYSA-N 0 0 403.423 4.428 20 5 HIBDRN CCC[C@@]1(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CCOC1 ZINC000553124694 941836263 /nfs/dbraw/zinc/83/62/63/941836263.db2.gz VGRWLTFQTRFKTQ-GOSISDBHSA-N 0 0 407.517 4.200 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N(CCO)CC1CC1 ZINC000553170725 941844017 /nfs/dbraw/zinc/84/40/17/941844017.db2.gz YCDRCJQKXMVXMN-UHFFFAOYSA-N 0 0 406.891 4.244 20 5 HIBDRN COC(=O)C(C)(C)CCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000553171591 941844452 /nfs/dbraw/zinc/84/44/52/941844452.db2.gz KZGXQWNIXPQKTH-UHFFFAOYSA-N 0 0 402.472 4.065 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1ccccc1Cl)CC1CC1 ZINC000553223695 941852430 /nfs/dbraw/zinc/85/24/30/941852430.db2.gz UFVWWBIHCNDUSH-UHFFFAOYSA-N 0 0 416.861 4.001 20 5 HIBDRN CCOc1cc(N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000553238369 941854821 /nfs/dbraw/zinc/85/48/21/941854821.db2.gz DOSIQLZTSCFUAI-IBGZPJMESA-N 0 0 411.502 4.101 20 5 HIBDRN O=C(c1ccc(NCCCCc2ccc(Cl)s2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000553251243 941856720 /nfs/dbraw/zinc/85/67/20/941856720.db2.gz KJDURUDNLHNUEE-UHFFFAOYSA-N 0 0 423.922 4.217 20 5 HIBDRN O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000553258380 941857352 /nfs/dbraw/zinc/85/73/52/941857352.db2.gz OILJKCXVXZMHJM-UHFFFAOYSA-N 0 0 408.845 4.458 20 5 HIBDRN Cn1c(Sc2ncnc3sc([N+](=O)[O-])cc32)nnc1-c1ccccc1Cl ZINC000553262984 941858006 /nfs/dbraw/zinc/85/80/06/941858006.db2.gz XWMVJSNPAPBNGG-UHFFFAOYSA-N 0 0 404.864 4.200 20 5 HIBDRN CC(=O)c1cc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1[N+](=O)[O-] ZINC000553275426 941859304 /nfs/dbraw/zinc/85/93/04/941859304.db2.gz GOCWTTALNOIUNR-UHFFFAOYSA-N 0 0 408.380 4.292 20 5 HIBDRN COC(=O)c1cc(C)nc(N2CCC[C@@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000553275717 941859312 /nfs/dbraw/zinc/85/93/12/941859312.db2.gz QDXIEOKIQMRADU-OAHLLOKOSA-N 0 0 420.263 4.189 20 5 HIBDRN COc1ccc(CC(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1[N+](=O)[O-] ZINC000553276468 941859595 /nfs/dbraw/zinc/85/95/95/941859595.db2.gz BSCVMBDUQLXVEW-LJQANCHMSA-N 0 0 424.375 4.312 20 5 HIBDRN CNc1c(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000553379019 941876138 /nfs/dbraw/zinc/87/61/38/941876138.db2.gz FXJWQRZRTBJHGQ-SJCJKPOMSA-N 0 0 423.391 4.258 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC000553399307 941879156 /nfs/dbraw/zinc/87/91/56/941879156.db2.gz KVOQHEYEIDNBKZ-UHFFFAOYSA-N 0 0 405.126 4.033 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000553433872 941883994 /nfs/dbraw/zinc/88/39/94/941883994.db2.gz WMMCQSFHSKBDPC-QGZVFWFLSA-N 0 0 422.268 4.165 20 5 HIBDRN COCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc(C(=O)OC)c1 ZINC000553483837 941893322 /nfs/dbraw/zinc/89/33/22/941893322.db2.gz FAWRJBSEGSWDJD-UHFFFAOYSA-N 0 0 418.471 4.281 20 5 HIBDRN COCC[C@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000553556899 941908990 /nfs/dbraw/zinc/90/89/90/941908990.db2.gz RTOOOEGGGKJBIV-HNNXBMFYSA-N 0 0 423.256 4.740 20 5 HIBDRN Cc1cc2cc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)ccc2n(C)c1=O ZINC000553565341 941910278 /nfs/dbraw/zinc/91/02/78/941910278.db2.gz VXJKIZDZUQTQKC-UHFFFAOYSA-N 0 0 405.332 4.026 20 5 HIBDRN O=C(CCCc1ccccc1)N[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000553607862 941919115 /nfs/dbraw/zinc/91/91/15/941919115.db2.gz QGERTJXEMGQPGZ-HXUWFJFHSA-N 0 0 418.497 4.251 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2nc(C3CC3)c(Cc3ccc(F)cc3)s2)c1[N+](=O)[O-] ZINC000553663063 941937859 /nfs/dbraw/zinc/93/78/59/941937859.db2.gz YEGQXEIYIFQRRA-UHFFFAOYSA-N 0 0 415.450 4.196 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@H](C)c2ccc(OCc3cccc(C)c3)cc2)c1[N+](=O)[O-] ZINC000553662920 941937939 /nfs/dbraw/zinc/93/79/39/941937939.db2.gz QCODQQAIHHBTOT-OAHLLOKOSA-N 0 0 408.458 4.259 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CSC[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000553676493 941942249 /nfs/dbraw/zinc/94/22/49/941942249.db2.gz JWUDEIILECFGOO-KBXCAEBGSA-N 0 0 421.544 4.176 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CSC[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000553676496 941942547 /nfs/dbraw/zinc/94/25/47/941942547.db2.gz JWUDEIILECFGOO-RDTXWAMCSA-N 0 0 421.544 4.176 20 5 HIBDRN Cc1noc([C@@H]2CCCN2c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])n1 ZINC000553706244 941947962 /nfs/dbraw/zinc/94/79/62/941947962.db2.gz MHHWLEUEJLGCJV-SFHVURJKSA-N 0 0 407.430 4.188 20 5 HIBDRN CC(C)(NC(=O)c1cc(N2CCCC2=O)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000553711600 941948879 /nfs/dbraw/zinc/94/88/79/941948879.db2.gz BXPOEXDKBPJWFG-UHFFFAOYSA-N 0 0 401.850 4.040 20 5 HIBDRN COc1cccc(C(=O)N2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000553721302 941952123 /nfs/dbraw/zinc/95/21/23/941952123.db2.gz BUZAJRZMOAIGJQ-SJKOYZFVSA-N 0 0 424.375 4.224 20 5 HIBDRN COCCC[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000553778230 941966144 /nfs/dbraw/zinc/96/61/44/941966144.db2.gz HNEROJDUZTTXPU-KRWDZBQOSA-N 0 0 405.882 4.258 20 5 HIBDRN C[C@@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000553793644 941970123 /nfs/dbraw/zinc/97/01/23/941970123.db2.gz DHHPQTXDBJTDME-SECBINFHSA-N 0 0 403.307 4.452 20 5 HIBDRN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000553852149 941983392 /nfs/dbraw/zinc/98/33/92/941983392.db2.gz AQTCXPJEGBDLCA-DLBZAZTESA-N 0 0 400.422 4.032 20 5 HIBDRN C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@@H]1OCCc2sccc21 ZINC000553858930 941985190 /nfs/dbraw/zinc/98/51/90/941985190.db2.gz QRDPKGBTXGRGPT-DMZKTXOQSA-N 0 0 404.491 4.175 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000554062937 942028121 /nfs/dbraw/zinc/02/81/21/942028121.db2.gz XWWDPOWCOFSKSL-AWEZNQCLSA-N 0 0 414.245 4.155 20 5 HIBDRN Cn1ccnc1[C@H](N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000554120009 942041245 /nfs/dbraw/zinc/04/12/45/942041245.db2.gz IDGYNPOGLXWEAG-PWRODBHTSA-N 0 0 406.486 4.253 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554181154 942059557 /nfs/dbraw/zinc/05/95/57/942059557.db2.gz QQKWVEFHKKRZKB-LJQANCHMSA-N 0 0 403.866 4.205 20 5 HIBDRN COc1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000554455779 942150902 /nfs/dbraw/zinc/15/09/02/942150902.db2.gz FOIYDPLLHRAGOR-UHFFFAOYSA-N 0 0 408.252 4.072 20 5 HIBDRN C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2cccnc2)cc1 ZINC000554476180 942155567 /nfs/dbraw/zinc/15/55/67/942155567.db2.gz ULQVUTYNZOSJJE-INIZCTEOSA-N 0 0 421.457 4.254 20 5 HIBDRN COc1cc(CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1Cl ZINC000554669687 942194587 /nfs/dbraw/zinc/19/45/87/942194587.db2.gz QRNDTSXSQXEUOG-UHFFFAOYSA-N 0 0 402.756 4.248 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccccc1OCc1ccccc1 ZINC000554696173 942202656 /nfs/dbraw/zinc/20/26/56/942202656.db2.gz ODYWDJWEJLVTCC-UHFFFAOYSA-N 0 0 412.392 4.311 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000554704823 942205203 /nfs/dbraw/zinc/20/52/03/942205203.db2.gz OGNFWGLITFGXHK-CQSZACIVSA-N 0 0 406.385 4.002 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2c2nc(CCc3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000554786966 942236810 /nfs/dbraw/zinc/23/68/10/942236810.db2.gz RJYMFMDIMVCLMU-IBGZPJMESA-N 0 0 406.442 4.049 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2c2nc(CCc3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000554786970 942236988 /nfs/dbraw/zinc/23/69/88/942236988.db2.gz RJYMFMDIMVCLMU-LJQANCHMSA-N 0 0 406.442 4.049 20 5 HIBDRN CC(C)(C)c1nnc2ccc(-c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)cn21 ZINC000554816547 942257775 /nfs/dbraw/zinc/25/77/75/942257775.db2.gz MMWUQPHZXGQNMD-UHFFFAOYSA-N 0 0 417.429 4.057 20 5 HIBDRN Cc1cc(Cc2noc([C@H](c3ccccc3)N3CCSCC3)n2)ccc1[N+](=O)[O-] ZINC000554817914 942259666 /nfs/dbraw/zinc/25/96/66/942259666.db2.gz IUUAXUCIFDHPTH-FQEVSTJZSA-N 0 0 410.499 4.015 20 5 HIBDRN CCOc1ccc(-c2nc([C@@](C)(CC)NC(=O)c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000554845410 942283295 /nfs/dbraw/zinc/28/32/95/942283295.db2.gz PSSRAUNJWPWCCF-OAQYLSRUSA-N 0 0 410.430 4.099 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000554878180 942305136 /nfs/dbraw/zinc/30/51/36/942305136.db2.gz XIDJJMCJZMGPDB-GDLZYMKVSA-N 0 0 417.531 4.348 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)c1 ZINC000554908531 942315141 /nfs/dbraw/zinc/31/51/41/942315141.db2.gz MREJPHQJVZQQBE-LLVKDONJSA-N 0 0 403.382 4.350 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(OC)cc2)c2ccncc2)c1 ZINC000554965100 942336482 /nfs/dbraw/zinc/33/64/82/942336482.db2.gz IFSNIGPLKUMLGF-UHFFFAOYSA-N 0 0 407.426 4.244 20 5 HIBDRN CCc1nc2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)ccc2n1C1CC1 ZINC000554985418 942343043 /nfs/dbraw/zinc/34/30/43/942343043.db2.gz QPBQPCQASWCCTC-UHFFFAOYSA-N 0 0 412.877 4.354 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000554986210 942343743 /nfs/dbraw/zinc/34/37/43/942343743.db2.gz WCVSDOWOMMQQPU-BLVKFPJESA-N 0 0 410.804 4.252 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@](F)(c2ccccc2F)C1 ZINC000554986215 942343832 /nfs/dbraw/zinc/34/38/32/942343832.db2.gz WCVSDOWOMMQQPU-CWTRNNRKSA-N 0 0 410.804 4.252 20 5 HIBDRN Cc1c(-c2nc(-c3ccc(C(C)(F)F)cc3)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000555018095 942358385 /nfs/dbraw/zinc/35/83/85/942358385.db2.gz GXGJIULKERVZJG-UHFFFAOYSA-N 0 0 412.356 4.313 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1 ZINC000555051769 942370647 /nfs/dbraw/zinc/37/06/47/942370647.db2.gz RHHYSFLXRZLBJQ-SFHVURJKSA-N 0 0 424.375 4.226 20 5 HIBDRN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555073457 942377311 /nfs/dbraw/zinc/37/73/11/942377311.db2.gz DTLXBMFXIUWHOM-MJGOQNOKSA-N 0 0 409.467 4.368 20 5 HIBDRN COc1ccc(-c2ccc(CN3CC[C@H](n4cc(Cl)cn4)C3)o2)c([N+](=O)[O-])c1 ZINC000555106245 942386776 /nfs/dbraw/zinc/38/67/76/942386776.db2.gz QGNAEWPCRWAKCQ-AWEZNQCLSA-N 0 0 402.838 4.160 20 5 HIBDRN CS[C@H]1C(=O)Nc2ccc(-c3noc(C(F)(F)c4ccc([N+](=O)[O-])cc4)n3)cc21 ZINC000555109228 942387669 /nfs/dbraw/zinc/38/76/69/942387669.db2.gz JXRKAKAJOYQLTJ-CQSZACIVSA-N 0 0 418.381 4.141 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000555114276 942389135 /nfs/dbraw/zinc/38/91/35/942389135.db2.gz DXOVFWNOIZLCLI-UHFFFAOYSA-N 0 0 408.389 4.376 20 5 HIBDRN Cc1cc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555120001 942390369 /nfs/dbraw/zinc/39/03/69/942390369.db2.gz JNJQNWWILWQXOP-ZDUSSCGKSA-N 0 0 413.440 4.397 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2ccc[nH]2)n1CCc1ccccc1 ZINC000555196986 942427534 /nfs/dbraw/zinc/42/75/34/942427534.db2.gz YRJYHEVOXAWLCU-UHFFFAOYSA-N 0 0 402.458 4.061 20 5 HIBDRN CCS(=O)(=O)c1ccc(CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000555200088 942428868 /nfs/dbraw/zinc/42/88/68/942428868.db2.gz DCRGKOBNIMMTTJ-UHFFFAOYSA-N 0 0 408.423 4.389 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc3ccc(Br)cn32)c2ncccc12 ZINC000555250950 942446750 /nfs/dbraw/zinc/44/67/50/942446750.db2.gz MHVMVCOGFZNOBU-UHFFFAOYSA-N 0 0 402.233 4.099 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@]4(CC=CCC4)C3)n2C[C@H]2CCCO2)c1 ZINC000555381955 942504808 /nfs/dbraw/zinc/50/48/08/942504808.db2.gz VODAYJQCFXIKAO-OFNKIYASSA-N 0 0 423.517 4.359 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC4(C3)CCCCC4)n2C[C@H]2CCCO2)c1 ZINC000555381855 942504861 /nfs/dbraw/zinc/50/48/61/942504861.db2.gz SZBFIXACHMXTDW-LJQANCHMSA-N 0 0 411.506 4.193 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCCC4(CCCC4)C3)n2C[C@H]2CCOC2)cc1 ZINC000555445393 942550046 /nfs/dbraw/zinc/55/00/46/942550046.db2.gz LYPLRKQCPKJHMX-QGZVFWFLSA-N 0 0 411.506 4.050 20 5 HIBDRN Cc1nc2ccccc2c(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1C(C)C ZINC000555490378 942591059 /nfs/dbraw/zinc/59/10/59/942591059.db2.gz IPJHKAQQCUGDNU-UHFFFAOYSA-N 0 0 407.426 4.020 20 5 HIBDRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cn2)sc1Cc1ccc(Cl)cc1F ZINC000555538776 942632372 /nfs/dbraw/zinc/63/23/72/942632372.db2.gz KBDDTMVRRRCQEF-UHFFFAOYSA-N 0 0 406.826 4.390 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555736736 942715915 /nfs/dbraw/zinc/71/59/15/942715915.db2.gz HTFNUNSPUFGLLE-AWEZNQCLSA-N 0 0 405.410 4.228 20 5 HIBDRN COc1cc2c(cc1Cl)CN([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000555742284 942717996 /nfs/dbraw/zinc/71/79/96/942717996.db2.gz MSAJMEPKGBXFHH-LBPRGKRZSA-N 0 0 414.849 4.426 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000555785562 942732039 /nfs/dbraw/zinc/73/20/39/942732039.db2.gz QUQNOCMFPKOBNB-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000555877087 942763079 /nfs/dbraw/zinc/76/30/79/942763079.db2.gz KGWFBPJWJXZQHK-GFCCVEGCSA-N 0 0 407.239 4.435 20 5 HIBDRN COC(=O)c1cc(C)nc(Oc2ccc(Br)cc2Cl)c1[N+](=O)[O-] ZINC000555897810 942768603 /nfs/dbraw/zinc/76/86/03/942768603.db2.gz IGRWIHBPCZMNQI-UHFFFAOYSA-N 0 0 401.600 4.293 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCc1nc(-c2cccc(OCc3ccccc3)n2)no1 ZINC000556348723 942848212 /nfs/dbraw/zinc/84/82/12/942848212.db2.gz SNZAWCYQNYLRJG-UHFFFAOYSA-N 0 0 404.382 4.198 20 5 HIBDRN CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000556498509 942885818 /nfs/dbraw/zinc/88/58/18/942885818.db2.gz MYDTVWOXCCXWKZ-MRXNPFEDSA-N 0 0 402.472 4.083 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nc(Cc2ccccc2)no1 ZINC000556546715 942896041 /nfs/dbraw/zinc/89/60/41/942896041.db2.gz HCGYKDSNDASXTC-LLVKDONJSA-N 0 0 420.347 4.078 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nc(Cc2ccccc2)no1 ZINC000556546716 942896223 /nfs/dbraw/zinc/89/62/23/942896223.db2.gz HCGYKDSNDASXTC-NSHDSACASA-N 0 0 420.347 4.078 20 5 HIBDRN Cc1oc2ccccc2c1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556550682 942896891 /nfs/dbraw/zinc/89/68/91/942896891.db2.gz BMODJCKOLSLHRE-UHFFFAOYSA-N 0 0 409.442 4.202 20 5 HIBDRN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Oc1cccc(F)c1 ZINC000556571029 942901954 /nfs/dbraw/zinc/90/19/54/942901954.db2.gz OLVPIAQQZPOSGW-ZDUSSCGKSA-N 0 0 400.328 4.340 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000556613176 942916108 /nfs/dbraw/zinc/91/61/08/942916108.db2.gz HDOSBPLBOZGMIY-CZIWCDLHSA-N 0 0 413.449 4.032 20 5 HIBDRN O=C(N[C@H](c1ccccc1)C1CCCC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000556615409 942917044 /nfs/dbraw/zinc/91/70/44/942917044.db2.gz WSMOCUMWZLQOPO-JOCHJYFZSA-N 0 0 421.497 4.134 20 5 HIBDRN Cc1cc(Cl)ccc1OCCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556870978 942945571 /nfs/dbraw/zinc/94/55/71/942945571.db2.gz PZUXNENJPLIIFX-FQEVSTJZSA-N 0 0 414.893 4.438 20 5 HIBDRN C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000556872505 942945893 /nfs/dbraw/zinc/94/58/93/942945893.db2.gz PAVXNPVJGVIXMF-AUUYWEPGSA-N 0 0 400.866 4.128 20 5 HIBDRN Cc1cc(F)ccc1N1CCC[C@@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556886595 942950922 /nfs/dbraw/zinc/95/09/22/942950922.db2.gz WZZPAERILZCAHZ-KNQAVFIVSA-N 0 0 423.492 4.124 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000557075795 943013338 /nfs/dbraw/zinc/01/33/38/943013338.db2.gz HEDZWLDZAULCKG-UHFFFAOYSA-N 0 0 416.327 4.112 20 5 HIBDRN O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N1CCn2nccc21 ZINC000557177912 943041487 /nfs/dbraw/zinc/04/14/87/943041487.db2.gz GYLIMQSTXGGTPI-UHFFFAOYSA-N 0 0 423.479 4.213 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc2c(cccc2Br)[nH]1 ZINC000557361964 943086834 /nfs/dbraw/zinc/08/68/34/943086834.db2.gz JHKFIQBKQXDFHB-UHFFFAOYSA-N 0 0 402.248 4.153 20 5 HIBDRN O=C(Nc1ncc(-c2ccccn2)s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000557388383 943097833 /nfs/dbraw/zinc/09/78/33/943097833.db2.gz GSKMETRCUYIKDZ-UHFFFAOYSA-N 0 0 409.452 4.489 20 5 HIBDRN Cn1c(Cc2cccs2)nc2cc(C(=O)NCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000557443216 943129795 /nfs/dbraw/zinc/12/97/95/943129795.db2.gz WIAIKZSRQPPYHA-UHFFFAOYSA-N 0 0 406.467 4.064 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000557509565 943177290 /nfs/dbraw/zinc/17/72/90/943177290.db2.gz CMSFCWKRWFPGQD-RLLQIKCJSA-N 0 0 417.465 4.317 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000557522570 943189874 /nfs/dbraw/zinc/18/98/74/943189874.db2.gz WMVQSVGHLAJXJV-JTQLQIEISA-N 0 0 403.345 4.465 20 5 HIBDRN CC(C)[C@](C)(NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(N)=O ZINC000557550601 943205017 /nfs/dbraw/zinc/20/50/17/943205017.db2.gz QSFFTFCCHKGTDX-IBGZPJMESA-N 0 0 421.906 4.029 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)[S@]1=O ZINC000557579012 943216551 /nfs/dbraw/zinc/21/65/51/943216551.db2.gz SHGOHNCXUKFPSZ-PZHVIUFYSA-N 0 0 418.540 4.118 20 5 HIBDRN COC(=O)c1cc(C)nc(N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c1[N+](=O)[O-] ZINC000557662002 943251835 /nfs/dbraw/zinc/25/18/35/943251835.db2.gz BUMIQGMUYLPDHL-GOSISDBHSA-N 0 0 421.457 4.207 20 5 HIBDRN COc1cccc(OC(F)(F)F)c1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000557680683 943257275 /nfs/dbraw/zinc/25/72/75/943257275.db2.gz ICEWBNSZSRTJDS-UHFFFAOYSA-N 0 0 404.728 4.085 20 5 HIBDRN Cc1sc(C(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1[N+](=O)[O-] ZINC000557745302 943277459 /nfs/dbraw/zinc/27/74/59/943277459.db2.gz OPEHPLGQTKVKNT-KRWDZBQOSA-N 0 0 414.405 4.115 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000557750701 943278234 /nfs/dbraw/zinc/27/82/34/943278234.db2.gz IZHPNRFHCDEKLZ-GXTWGEPZSA-N 0 0 409.305 4.362 20 5 HIBDRN COCCC[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000557804278 943296797 /nfs/dbraw/zinc/29/67/97/943296797.db2.gz MRNZSJXLEOKBLO-MRXNPFEDSA-N 0 0 405.882 4.258 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000557849370 943311917 /nfs/dbraw/zinc/31/19/17/943311917.db2.gz NXELHVNRGXKJNB-NSHDSACASA-N 0 0 420.384 4.004 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(Cl)cc2OCC(F)F)ccc1[N+](=O)[O-] ZINC000557932380 943332590 /nfs/dbraw/zinc/33/25/90/943332590.db2.gz BVMGHKNADGLZNU-UHFFFAOYSA-N 0 0 400.765 4.218 20 5 HIBDRN COc1ccc(-c2nc(COc3cc([N+](=O)[O-])ccc3OC)cs2)c(OC)c1 ZINC000557968754 943342162 /nfs/dbraw/zinc/34/21/62/943342162.db2.gz SWKGRWJNAZJQOI-UHFFFAOYSA-N 0 0 402.428 4.323 20 5 HIBDRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])n2)n1 ZINC000557975172 943344266 /nfs/dbraw/zinc/34/42/66/943344266.db2.gz QRABPGPRGYABFK-UHFFFAOYSA-N 0 0 413.865 4.111 20 5 HIBDRN Cc1c(C(=O)Nc2ncc(-c3cccc(C)c3)s2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000558003435 943352064 /nfs/dbraw/zinc/35/20/64/943352064.db2.gz IERKADQEKHWIEC-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)Nc2ccc(F)cc2)no1 ZINC000558007871 943353419 /nfs/dbraw/zinc/35/34/19/943353419.db2.gz INOMKFUIPXKEJY-LLVKDONJSA-N 0 0 402.407 4.151 20 5 HIBDRN CCN(C)C(=O)c1cccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000558053870 943367247 /nfs/dbraw/zinc/36/72/47/943367247.db2.gz KJLGRRPVKQJFAO-UHFFFAOYSA-N 0 0 420.263 4.010 20 5 HIBDRN CN(C(=O)CCSc1ccnc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])nc1 ZINC000558179371 943413587 /nfs/dbraw/zinc/41/35/87/943413587.db2.gz HJGKAVHICYHOHO-UHFFFAOYSA-N 0 0 402.863 4.337 20 5 HIBDRN Cc1nc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(Cl)cc2)no1 ZINC000558226369 943445753 /nfs/dbraw/zinc/44/57/53/943445753.db2.gz OKSALNJUFXEBKD-MRXNPFEDSA-N 0 0 401.810 4.159 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(OC)c(OC)cc2OC)no1 ZINC000558271718 943472802 /nfs/dbraw/zinc/47/28/02/943472802.db2.gz PQIJNUUQGLXDIL-CQSZACIVSA-N 0 0 413.430 4.407 20 5 HIBDRN Cc1cc(C)n(-c2ccc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2F)n1 ZINC000558298293 943490654 /nfs/dbraw/zinc/49/06/54/943490654.db2.gz HWWRAZOAKXARNE-UHFFFAOYSA-N 0 0 411.437 4.243 20 5 HIBDRN C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nccn1-c1ccccc1 ZINC000558299724 943492749 /nfs/dbraw/zinc/49/27/49/943492749.db2.gz RSQXOFSGWJSHGR-LBPRGKRZSA-N 0 0 417.372 4.265 20 5 HIBDRN O=[N+]([O-])c1cccc(Cc2nc(C3(c4ccccc4Br)CC3)no2)c1 ZINC000558397073 943548124 /nfs/dbraw/zinc/54/81/24/943548124.db2.gz GYFPGEUDQUKDQS-UHFFFAOYSA-N 0 0 400.232 4.411 20 5 HIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 ZINC000558440455 943559574 /nfs/dbraw/zinc/55/95/74/943559574.db2.gz JZIKHRIJWBIKJW-INIZCTEOSA-N 0 0 406.471 4.342 20 5 HIBDRN O=C(N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000558486045 943572918 /nfs/dbraw/zinc/57/29/18/943572918.db2.gz FBTHWXYHJSMKDP-SFHVURJKSA-N 0 0 418.375 4.447 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000558513051 943582714 /nfs/dbraw/zinc/58/27/14/943582714.db2.gz CDRMJLAYRXVJSU-PKOBYXMFSA-N 0 0 404.417 4.002 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000558514741 943584174 /nfs/dbraw/zinc/58/41/74/943584174.db2.gz VESACEVCXKOBCT-INIZCTEOSA-N 0 0 413.474 4.203 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CCC2(CCO2)CC1 ZINC000558626853 943620537 /nfs/dbraw/zinc/62/05/37/943620537.db2.gz DJFAWNZGYFUVIA-IBGZPJMESA-N 0 0 415.877 4.183 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000558743847 943638240 /nfs/dbraw/zinc/63/82/40/943638240.db2.gz PTROEXBYDUQGHN-MRXNPFEDSA-N 0 0 412.490 4.138 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000558752605 943644022 /nfs/dbraw/zinc/64/40/22/943644022.db2.gz OZNVOMCGDDEYRY-UHFFFAOYSA-N 0 0 417.469 4.216 20 5 HIBDRN CCc1nc2cc(CNc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000558787083 943662758 /nfs/dbraw/zinc/66/27/58/943662758.db2.gz AQPBUELMEWXIRP-UHFFFAOYSA-N 0 0 419.485 4.346 20 5 HIBDRN Cc1c(NC(=O)NCCC2C[C@@H](C)O[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000558816188 943676358 /nfs/dbraw/zinc/67/63/58/943676358.db2.gz PTXOISSBNIMWDX-GHMZBOCLSA-N 0 0 414.300 4.381 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@](F)(c2ccccc2F)C1 ZINC000558819536 943677953 /nfs/dbraw/zinc/67/79/53/943677953.db2.gz HVMVGRILGYSDIO-LJQANCHMSA-N 0 0 410.804 4.254 20 5 HIBDRN CCCc1c(NC(=O)c2cc(OCC)ccc2[N+](=O)[O-])cnn1-c1cc(C)ccn1 ZINC000558832285 943684729 /nfs/dbraw/zinc/68/47/29/943684729.db2.gz YKRHKRPBKSDWFP-UHFFFAOYSA-N 0 0 409.446 4.087 20 5 HIBDRN COc1ccc(-c2ccc(C)c(NC(=O)NCCOc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000558845625 943694377 /nfs/dbraw/zinc/69/43/77/943694377.db2.gz ZWLGFAXUJXWLCF-UHFFFAOYSA-N 0 0 422.441 4.174 20 5 HIBDRN Cc1cccc(N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000558917540 943745965 /nfs/dbraw/zinc/74/59/65/943745965.db2.gz JROJQOLJPUMUEC-QGZVFWFLSA-N 0 0 405.458 4.263 20 5 HIBDRN Cc1ncsc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 ZINC000558927555 943750305 /nfs/dbraw/zinc/75/03/05/943750305.db2.gz WKOIXNFUTNKRDK-UHFFFAOYSA-N 0 0 420.498 4.303 20 5 HIBDRN COc1cc(C(=O)NCC[C@@H](C)OC)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000558936992 943759002 /nfs/dbraw/zinc/75/90/02/943759002.db2.gz QTIOMMDEGWGBMQ-GFCCVEGCSA-N 0 0 408.838 4.204 20 5 HIBDRN CCC(=O)c1ccc(N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c([N+](=O)[O-])c1 ZINC000558952966 943770193 /nfs/dbraw/zinc/77/01/93/943770193.db2.gz GWAYSUVUYGPOOQ-AUUYWEPGSA-N 0 0 413.449 4.491 20 5 HIBDRN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000558967160 943774300 /nfs/dbraw/zinc/77/43/00/943774300.db2.gz ZMXIBZHESBZEQN-HNNXBMFYSA-N 0 0 410.348 4.424 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC000559044310 943813941 /nfs/dbraw/zinc/81/39/41/943813941.db2.gz GTKBVJQGRMGBGH-KRWDZBQOSA-N 0 0 401.511 4.152 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)CCO1 ZINC000559090813 943834310 /nfs/dbraw/zinc/83/43/10/943834310.db2.gz JJMFONASZLPJCP-NRFANRHFSA-N 0 0 421.501 4.396 20 5 HIBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccccc2)C1 ZINC000559100530 943839829 /nfs/dbraw/zinc/83/98/29/943839829.db2.gz KAQJSBMYCFHLKY-HXUWFJFHSA-N 0 0 407.474 4.087 20 5 HIBDRN C[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nc(Cc2ccccc2)no1 ZINC000559151713 943854597 /nfs/dbraw/zinc/85/45/97/943854597.db2.gz PMRQHWITZZLBKF-LBPRGKRZSA-N 0 0 406.364 4.438 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3C[C@@H]4CCCC[C@@H]4C3)n2C[C@@H]2CCCCO2)c1 ZINC000559206198 943871710 /nfs/dbraw/zinc/87/17/10/943871710.db2.gz OBVZVOVOLDQGQO-NSHGMRRFSA-N 0 0 411.506 4.049 20 5 HIBDRN C[C@H](C(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000559357035 943908620 /nfs/dbraw/zinc/90/86/20/943908620.db2.gz YMVOKHMSQVJSHB-KKSFZXQISA-N 0 0 403.438 4.195 20 5 HIBDRN CCc1nocc1CN(C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000559368555 943915180 /nfs/dbraw/zinc/91/51/80/943915180.db2.gz IUZFBQARIXIHHP-OAQYLSRUSA-N 0 0 408.458 4.265 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1cc(-c2ccccc2)no1 ZINC000559519147 943993350 /nfs/dbraw/zinc/99/33/50/943993350.db2.gz FHVWRGNLUDPKBH-UHFFFAOYSA-N 0 0 416.231 4.251 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000559519236 943993522 /nfs/dbraw/zinc/99/35/22/943993522.db2.gz GNGLFEVUPJUSDM-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1N1CCCC1=O ZINC000559544678 943999650 /nfs/dbraw/zinc/99/96/50/943999650.db2.gz SUNQTYSEUNZSQF-UHFFFAOYSA-N 0 0 418.247 4.045 20 5 HIBDRN Cc1cccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 ZINC000559548419 944001666 /nfs/dbraw/zinc/00/16/66/944001666.db2.gz YDFYYBFCFZSOLZ-QGZVFWFLSA-N 0 0 404.264 4.346 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000559549073 944002322 /nfs/dbraw/zinc/00/23/22/944002322.db2.gz RULRYTZYFYCDGO-IBGZPJMESA-N 0 0 419.275 4.054 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000559563838 944005469 /nfs/dbraw/zinc/00/54/69/944005469.db2.gz WDEBBDXXRIAOPV-KPZWWZAWSA-N 0 0 419.275 4.268 20 5 HIBDRN COc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)CC2)cc1 ZINC000559569747 944007411 /nfs/dbraw/zinc/00/74/11/944007411.db2.gz DBSUYCFYCIFYDL-UHFFFAOYSA-N 0 0 405.248 4.093 20 5 HIBDRN CCOc1ccc(Oc2cc(CNC(=O)c3c(C)cccc3[N+](=O)[O-])ccn2)cc1 ZINC000559795234 944052225 /nfs/dbraw/zinc/05/22/25/944052225.db2.gz GPUWQIJBIJKMFT-UHFFFAOYSA-N 0 0 407.426 4.419 20 5 HIBDRN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559937132 944092083 /nfs/dbraw/zinc/09/20/83/944092083.db2.gz XYBCOQIRNLHYER-CYBMUJFWSA-N 0 0 424.350 4.488 20 5 HIBDRN Cc1cc(Cc2noc(C3(Cc4ccc(F)cc4)CCOCC3)n2)ccc1[N+](=O)[O-] ZINC000559966319 944102878 /nfs/dbraw/zinc/10/28/78/944102878.db2.gz ZIXPYENLCIJIAA-UHFFFAOYSA-N 0 0 411.433 4.307 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NCc2cc(OC)c(O)cc2[N+](=O)[O-])cc1Cl ZINC000559992515 944114797 /nfs/dbraw/zinc/11/47/97/944114797.db2.gz CGWQGCHAJHDYFI-UHFFFAOYSA-N 0 0 421.881 4.493 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@H](COCc2ccccc2)C1 ZINC000560023189 944132084 /nfs/dbraw/zinc/13/20/84/944132084.db2.gz FHSYFRAZBGKKJJ-HNNXBMFYSA-N 0 0 408.376 4.293 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2cccs2)C2Cc3ccccc3C2)s1 ZINC000560073799 944149379 /nfs/dbraw/zinc/14/93/79/944149379.db2.gz XVKSIRUKTHIUDL-UHFFFAOYSA-N 0 0 420.537 4.076 20 5 HIBDRN Cc1nc([C@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)no1 ZINC000560084099 944152672 /nfs/dbraw/zinc/15/26/72/944152672.db2.gz DXSLRAISJHOYCO-OAHLLOKOSA-N 0 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C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ncc(-c2ccccn2)s1 ZINC000561027788 944401903 /nfs/dbraw/zinc/40/19/03/944401903.db2.gz VHRYHHUUAKBHDP-JTQLQIEISA-N 0 0 404.835 4.173 20 5 HIBDRN COc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc2cccnc21 ZINC000561092746 944445541 /nfs/dbraw/zinc/44/55/41/944445541.db2.gz FSCUWPQHDHVMOA-UHFFFAOYSA-N 0 0 421.331 4.345 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(Cl)ccc21 ZINC000561133134 944470854 /nfs/dbraw/zinc/47/08/54/944470854.db2.gz AQNQYCRZBMETQZ-UHFFFAOYSA-N 0 0 420.874 4.106 20 5 HIBDRN O=C(c1ccc(F)cc1)N1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000561143550 944480149 /nfs/dbraw/zinc/48/01/49/944480149.db2.gz ZPMBCHPWNCIMAV-UHFFFAOYSA-N 0 0 412.248 4.393 20 5 HIBDRN CC(=O)c1cc(NC[C@@H]2CCN(c3cccc(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000561154212 944485456 /nfs/dbraw/zinc/48/54/56/944485456.db2.gz NLOWAZSTOOGSSZ-AWEZNQCLSA-N 0 0 418.291 4.498 20 5 HIBDRN CC(C)Cc1ncnc(Oc2cc(F)cc([N+](=O)[O-])c2)c1I ZINC000561278791 944537378 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0 0 403.508 4.058 20 5 HIBDRN Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n[nH]2)cc1 ZINC000021730927 846488740 /nfs/dbraw/zinc/48/87/40/846488740.db2.gz WLZMRNDYYFVHFC-NSHDSACASA-N 0 0 417.878 4.461 20 5 HIBDRN Cc1noc2ncc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc12 ZINC000436357645 861684572 /nfs/dbraw/zinc/68/45/72/861684572.db2.gz ASWVUOXJHZQWKF-UHFFFAOYSA-N 0 0 406.348 4.056 20 5 HIBDRN CCOc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])o3)cs2)cc1OC ZINC000022139299 846535604 /nfs/dbraw/zinc/53/56/04/846535604.db2.gz UTQNCHFKPKETDC-UHFFFAOYSA-N 0 0 404.400 4.076 20 5 HIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)N2CCSc3ccccc32)cc1[N+](=O)[O-] ZINC000022162012 846539019 /nfs/dbraw/zinc/53/90/19/846539019.db2.gz VWKHODVVJOBQFM-GFCCVEGCSA-N 0 0 418.496 4.001 20 5 HIBDRN Cc1cccc(C)c1NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C ZINC000022252810 846549898 /nfs/dbraw/zinc/54/98/98/846549898.db2.gz DTSYLJPNDGLAPP-UHFFFAOYSA-N 0 0 403.507 4.434 20 5 HIBDRN CCNc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000022486477 846577222 /nfs/dbraw/zinc/57/72/22/846577222.db2.gz RNOBAFGMKKSRNS-LBPRGKRZSA-N 0 0 405.838 4.172 20 5 HIBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1c2ccccc2CC[C@H]1C ZINC000022496527 846579104 /nfs/dbraw/zinc/57/91/04/846579104.db2.gz HYFPWSGPXKXKDD-CHWSQXEVSA-N 0 0 402.834 4.161 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000022590471 846591479 /nfs/dbraw/zinc/59/14/79/846591479.db2.gz CKUWCLXUNAUVDF-HNNXBMFYSA-N 0 0 401.850 4.048 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000022590464 846591855 /nfs/dbraw/zinc/59/18/55/846591855.db2.gz CKUWCLXUNAUVDF-OAHLLOKOSA-N 0 0 401.850 4.048 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)Cc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000022674883 846602061 /nfs/dbraw/zinc/60/20/61/846602061.db2.gz VACRPRRALUDSHT-LLVKDONJSA-N 0 0 411.241 4.323 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Br ZINC000022736482 846612810 /nfs/dbraw/zinc/61/28/10/846612810.db2.gz ZBEZUQJHAZKHFT-LBPRGKRZSA-N 0 0 421.247 4.158 20 5 HIBDRN CSc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000022762907 846617152 /nfs/dbraw/zinc/61/71/52/846617152.db2.gz ATECTNLXIIOXFK-NSHDSACASA-N 0 0 408.863 4.463 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CCN(Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000022812815 846624009 /nfs/dbraw/zinc/62/40/09/846624009.db2.gz ATWIXCPIIVCXDY-UHFFFAOYSA-N 0 0 407.495 4.210 20 5 HIBDRN CCCc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n[nH]1 ZINC000022830240 846626222 /nfs/dbraw/zinc/62/62/22/846626222.db2.gz CIGMJSZMHAEYHC-HXUWFJFHSA-N 0 0 422.441 4.116 20 5 HIBDRN COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000022907789 846636516 /nfs/dbraw/zinc/63/65/16/846636516.db2.gz QTHZIEWPBQFPNH-CABCVRRESA-N 0 0 422.437 4.179 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000022941163 846639936 /nfs/dbraw/zinc/63/99/36/846639936.db2.gz AETXFOHGYOFZDE-CVEARBPZSA-N 0 0 406.438 4.100 20 5 HIBDRN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(OC(F)(F)F)cc1 ZINC000023075439 846656142 /nfs/dbraw/zinc/65/61/42/846656142.db2.gz NNZZTCBXYBYLFK-UHFFFAOYSA-N 0 0 408.336 4.175 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000023102956 846659509 /nfs/dbraw/zinc/65/95/09/846659509.db2.gz WAIHYFSQXWZDKW-OAHLLOKOSA-N 0 0 422.485 4.035 20 5 HIBDRN Cc1cccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000023188097 846665853 /nfs/dbraw/zinc/66/58/53/846665853.db2.gz KCHXDXPEGFYCBB-UHFFFAOYSA-N 0 0 421.419 4.270 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)c(OC)c1 ZINC000023214125 846671064 /nfs/dbraw/zinc/67/10/64/846671064.db2.gz XRSMCVAFSOCWLG-SNVBAGLBSA-N 0 0 419.484 4.341 20 5 HIBDRN C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000023443946 846702614 /nfs/dbraw/zinc/70/26/14/846702614.db2.gz FVNLCRNJQIYZIX-SECBINFHSA-N 0 0 416.739 4.451 20 5 HIBDRN CN(C[C@H]1OCCc2ccccc21)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436370679 861710030 /nfs/dbraw/zinc/71/00/30/861710030.db2.gz ORIAZIBZYDTSNW-OAQYLSRUSA-N 0 0 416.452 4.206 20 5 HIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 ZINC000023515302 846713461 /nfs/dbraw/zinc/71/34/61/846713461.db2.gz KEVCGJBPDGMNEJ-SFHVURJKSA-N 0 0 415.858 4.354 20 5 HIBDRN O=C(NC1CC1)c1ccc(NCc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000023620691 846730424 /nfs/dbraw/zinc/73/04/24/846730424.db2.gz OMBJFQVRMPUQCI-UHFFFAOYSA-N 0 0 409.364 4.040 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Sc2n[nH]c(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] ZINC000023966943 846764096 /nfs/dbraw/zinc/76/40/96/846764096.db2.gz IEXAKERNIBVASV-LLVKDONJSA-N 0 0 417.878 4.461 20 5 HIBDRN COc1ccc(-c2nc(COC(=O)Cc3ccccc3[N+](=O)[O-])cs2)cc1OC ZINC000023972164 846766086 /nfs/dbraw/zinc/76/60/86/846766086.db2.gz ZAFWIFHYEJYGRA-UHFFFAOYSA-N 0 0 414.439 4.021 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1c(C)nn(Cc2ccccc2)c1Cl ZINC000024222204 846803748 /nfs/dbraw/zinc/80/37/48/846803748.db2.gz DUIXOWMWHQXBBR-UHFFFAOYSA-N 0 0 415.833 4.167 20 5 HIBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000024354639 846816584 /nfs/dbraw/zinc/81/65/84/846816584.db2.gz IVZQJJVZZVTZRK-UHFFFAOYSA-N 0 0 417.465 4.164 20 5 HIBDRN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000024464143 846828186 /nfs/dbraw/zinc/82/81/86/846828186.db2.gz YAILOUFYJLXDBF-AWEZNQCLSA-N 0 0 411.487 4.115 20 5 HIBDRN O=C(CN1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000024662665 846850646 /nfs/dbraw/zinc/85/06/46/846850646.db2.gz ZCWLQPVBPRNXNX-CYBMUJFWSA-N 0 0 414.849 4.208 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000024898257 846885512 /nfs/dbraw/zinc/88/55/12/846885512.db2.gz NYNRHCDRAMPIJN-UHFFFAOYSA-N 0 0 408.439 4.216 20 5 HIBDRN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000024997950 846902061 /nfs/dbraw/zinc/90/20/61/846902061.db2.gz OPJSVYMUUPJLNL-HRCADAONSA-N 0 0 416.499 4.193 20 5 HIBDRN O=C(Nc1cccnc1-n1cccn1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000025011850 846904749 /nfs/dbraw/zinc/90/47/49/846904749.db2.gz ZNYYFQQVHILZSL-UHFFFAOYSA-N 0 0 400.398 4.171 20 5 HIBDRN CC(=O)Nc1ccc2nc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000025039611 846909946 /nfs/dbraw/zinc/90/99/46/846909946.db2.gz CGFGMJUQLOMBKT-JTQLQIEISA-N 0 0 416.484 4.282 20 5 HIBDRN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc2cccc(Cl)c2s1 ZINC000436393735 861737852 /nfs/dbraw/zinc/73/78/52/861737852.db2.gz UVDHRCJHDMUAJR-UHFFFAOYSA-N 0 0 413.846 4.320 20 5 HIBDRN COc1cc(C)c(CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC ZINC000025345134 846963772 /nfs/dbraw/zinc/96/37/72/846963772.db2.gz JXJAOAGTRUKDQI-UHFFFAOYSA-N 0 0 400.456 4.407 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000025494850 846987901 /nfs/dbraw/zinc/98/79/01/846987901.db2.gz HSUXVRATZLHRRS-AWEZNQCLSA-N 0 0 414.462 4.027 20 5 HIBDRN CC(C)(C)c1csc([C@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CCO2)n1 ZINC000436398992 861745770 /nfs/dbraw/zinc/74/57/70/861745770.db2.gz WOEOIJLNWJCOFZ-GFCCVEGCSA-N 0 0 416.425 4.341 20 5 HIBDRN O=C(NCCCOc1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000025775837 847035611 /nfs/dbraw/zinc/03/56/11/847035611.db2.gz WMXJKJBTOOQFGK-UHFFFAOYSA-N 0 0 405.454 4.406 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1nccn1CCCc1ccccc1 ZINC000436400844 861748146 /nfs/dbraw/zinc/74/81/46/861748146.db2.gz QQHYFQOFQOSPBV-UHFFFAOYSA-N 0 0 405.380 4.450 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cc(C(C)(C)C)ccc1OC ZINC000025924772 847058235 /nfs/dbraw/zinc/05/82/35/847058235.db2.gz OBXKDEHCPCWCJY-ZDUSSCGKSA-N 0 0 401.463 4.349 20 5 HIBDRN CCOc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1[N+](=O)[O-] ZINC000025948356 847062442 /nfs/dbraw/zinc/06/24/42/847062442.db2.gz KWDJGXLAUOEFRB-UHFFFAOYSA-N 0 0 417.512 4.459 20 5 HIBDRN Cc1c(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cccc1[N+](=O)[O-] ZINC000025952679 847062612 /nfs/dbraw/zinc/06/26/12/847062612.db2.gz UAISMPFCECUWEG-UHFFFAOYSA-N 0 0 416.437 4.471 20 5 HIBDRN COc1ccc(C)cc1CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000026047974 847077088 /nfs/dbraw/zinc/07/70/88/847077088.db2.gz GJMMEESDUZMOES-UHFFFAOYSA-N 0 0 414.405 4.339 20 5 HIBDRN Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2c(C)cccc2[N+](=O)[O-])o1 ZINC000026119842 847090473 /nfs/dbraw/zinc/09/04/73/847090473.db2.gz KCBXKPDAMAWGLW-UHFFFAOYSA-N 0 0 420.381 4.274 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](OC(=O)CCc2ccco2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000026219657 847105241 /nfs/dbraw/zinc/10/52/41/847105241.db2.gz JGSBOWVIGLOEBB-NRFANRHFSA-N 0 0 408.410 4.352 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000026256016 847113404 /nfs/dbraw/zinc/11/34/04/847113404.db2.gz KJRPFUOTYOHBTP-UHFFFAOYSA-N 0 0 413.817 4.240 20 5 HIBDRN CN(CC(=O)NCCC(c1ccccc1)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346501 847129463 /nfs/dbraw/zinc/12/94/63/847129463.db2.gz PHEPHUOCLJGAOX-UHFFFAOYSA-N 0 0 417.509 4.365 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2ccccc2C)o1 ZINC000026352772 847131413 /nfs/dbraw/zinc/13/14/13/847131413.db2.gz SSHSZMBJBRRMPU-UHFFFAOYSA-N 0 0 414.443 4.083 20 5 HIBDRN COc1ccc2cc(CN(C)C(=O)[C@@H](C)N(C)Cc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000026350352 847131469 /nfs/dbraw/zinc/13/14/69/847131469.db2.gz RAWWWLFDVLZDPV-QGZVFWFLSA-N 0 0 421.497 4.236 20 5 HIBDRN O=C(CCSc1nnc(NC2CCCCC2)s1)Nc1ccccc1[N+](=O)[O-] ZINC000026367160 847134258 /nfs/dbraw/zinc/13/42/58/847134258.db2.gz XMBCURMCFNEKQM-UHFFFAOYSA-N 0 0 407.521 4.312 20 5 HIBDRN COc1ccccc1-c1nnc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000026371006 847135502 /nfs/dbraw/zinc/13/55/02/847135502.db2.gz DKPIXMOMENKPQT-UHFFFAOYSA-N 0 0 414.443 4.083 20 5 HIBDRN Cc1ccc(-n2cnnc2SCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC000026372756 847136311 /nfs/dbraw/zinc/13/63/11/847136311.db2.gz PJYSEIBDPDKOEY-UHFFFAOYSA-N 0 0 417.878 4.258 20 5 HIBDRN CCOc1cc(CN(C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000026454535 847153272 /nfs/dbraw/zinc/15/32/72/847153272.db2.gz OUNFRPRJWYDAON-ZDUSSCGKSA-N 0 0 423.416 4.054 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000026495868 847159403 /nfs/dbraw/zinc/15/94/03/847159403.db2.gz SPPLQYROEAIFTL-UHFFFAOYSA-N 0 0 404.728 4.207 20 5 HIBDRN O=C(CSc1nc(-c2ccccc2)cs1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026558405 847168661 /nfs/dbraw/zinc/16/86/61/847168661.db2.gz UBVUPDXSCHCAIU-UHFFFAOYSA-N 0 0 415.452 4.178 20 5 HIBDRN CC(C)c1nnc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000026570774 847171257 /nfs/dbraw/zinc/17/12/57/847171257.db2.gz MTWKARHWIZKFHI-BETUJISGSA-N 0 0 403.508 4.304 20 5 HIBDRN Cc1cc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)on1 ZINC000026684226 847186287 /nfs/dbraw/zinc/18/62/87/847186287.db2.gz RRZSDENUTAGWFB-KRWDZBQOSA-N 0 0 415.789 4.081 20 5 HIBDRN CC(C)(C)c1ccc(Cn2nccc2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000026793491 847198383 /nfs/dbraw/zinc/19/83/83/847198383.db2.gz ANUZIDOTRCGFAM-UHFFFAOYSA-N 0 0 423.429 4.298 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000026830674 847204065 /nfs/dbraw/zinc/20/40/65/847204065.db2.gz QKTRNKINBBENAM-UHFFFAOYSA-N 0 0 408.785 4.088 20 5 HIBDRN CCCc1nnc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000026834035 847204892 /nfs/dbraw/zinc/20/48/92/847204892.db2.gz JLLAITJZDSNACN-BETUJISGSA-N 0 0 403.508 4.133 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc(C2CC2)no1 ZINC000436414058 861766923 /nfs/dbraw/zinc/76/69/23/861766923.db2.gz PVRWMTNGSGDNSZ-IBGZPJMESA-N 0 0 402.454 4.069 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000027007369 847233722 /nfs/dbraw/zinc/23/37/22/847233722.db2.gz KPMKAQRABCDJBR-CABCVRRESA-N 0 0 422.437 4.179 20 5 HIBDRN C[C@@H](OC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000027067850 847242640 /nfs/dbraw/zinc/24/26/40/847242640.db2.gz GPAZTJVHEDHFPZ-SXSDINLZSA-N 0 0 408.454 4.151 20 5 HIBDRN Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C ZINC000027422326 847301536 /nfs/dbraw/zinc/30/15/36/847301536.db2.gz ZZUMGEKNWQBRJH-MRXNPFEDSA-N 0 0 412.442 4.053 20 5 HIBDRN Cc1ccccc1OCCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436422062 861778472 /nfs/dbraw/zinc/77/84/72/861778472.db2.gz TXSYDLCNQPIMIE-UHFFFAOYSA-N 0 0 422.431 4.467 20 5 HIBDRN COc1ccc(Cl)cc1CN(C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000027738080 847346043 /nfs/dbraw/zinc/34/60/43/847346043.db2.gz WLMSDIXTYRKNIF-UHFFFAOYSA-N 0 0 416.808 4.499 20 5 HIBDRN COc1ccc(CNc2nnc(SCc3cc([N+](=O)[O-])ccc3OC)s2)cc1 ZINC000027826809 847355284 /nfs/dbraw/zinc/35/52/84/847355284.db2.gz ICZAOKDFCKHBML-UHFFFAOYSA-N 0 0 418.500 4.368 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)Cc2cccs2)cc1OC ZINC000028247412 847398821 /nfs/dbraw/zinc/39/88/21/847398821.db2.gz BONGWKCXFDCSOM-UHFFFAOYSA-N 0 0 416.455 4.499 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)cc1OC ZINC000028250643 847399562 /nfs/dbraw/zinc/39/95/62/847399562.db2.gz DERKZRLXRZTFHF-FQEVSTJZSA-N 0 0 402.447 4.138 20 5 HIBDRN O=[N+]([O-])c1cccc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 ZINC000028367358 847411889 /nfs/dbraw/zinc/41/18/89/847411889.db2.gz KPZKHPVWIDWVTO-OAHLLOKOSA-N 0 0 402.501 4.386 20 5 HIBDRN Cc1cccc(Nc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)s2)c1 ZINC000028387778 847414819 /nfs/dbraw/zinc/41/48/19/847414819.db2.gz SVRAVZVRPPOLBX-UHFFFAOYSA-N 0 0 419.463 4.368 20 5 HIBDRN O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000028417625 847417972 /nfs/dbraw/zinc/41/79/72/847417972.db2.gz XVBDTHCEOCOJNZ-UHFFFAOYSA-N 0 0 420.824 4.381 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000028424282 847420584 /nfs/dbraw/zinc/42/05/84/847420584.db2.gz WIVCMAUIJNMPEU-HOTGVXAUSA-N 0 0 406.438 4.479 20 5 HIBDRN COc1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)c([N+](=O)[O-])cc1O ZINC000028660004 847441386 /nfs/dbraw/zinc/44/13/86/847441386.db2.gz RJTRMGZVBZNRSN-NRFANRHFSA-N 0 0 405.410 4.389 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000028685774 847447549 /nfs/dbraw/zinc/44/75/49/847447549.db2.gz KHHJNLRNRVTLSO-UHFFFAOYSA-N 0 0 413.480 4.384 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2occc2COc2ccccc2)cccc1[N+](=O)[O-] ZINC000028748696 847456113 /nfs/dbraw/zinc/45/61/13/847456113.db2.gz HLPBEUOPRLXHQB-OAHLLOKOSA-N 0 0 424.409 4.259 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000028933183 847480977 /nfs/dbraw/zinc/48/09/77/847480977.db2.gz MMQWREDWUYUFBG-UHFFFAOYSA-N 0 0 403.847 4.313 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000028940619 847482442 /nfs/dbraw/zinc/48/24/42/847482442.db2.gz GUKAJXIXCJHTLL-GOSISDBHSA-N 0 0 421.478 4.187 20 5 HIBDRN CCOc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)c([N+](=O)[O-])cc1OC ZINC000029089144 847503182 /nfs/dbraw/zinc/50/31/82/847503182.db2.gz NXGLHKQSGFHRKM-UHFFFAOYSA-N 0 0 406.464 4.154 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000029236202 847528488 /nfs/dbraw/zinc/52/84/88/847528488.db2.gz IHIONHJACHXRLK-UHFFFAOYSA-N 0 0 420.421 4.233 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000029252161 847530524 /nfs/dbraw/zinc/53/05/24/847530524.db2.gz CRRYMJVABACOJN-AWEZNQCLSA-N 0 0 413.499 4.130 20 5 HIBDRN CC(C)[C@H](NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000029277394 847537112 /nfs/dbraw/zinc/53/71/12/847537112.db2.gz BRBYCMAJJYKNGO-SFHVURJKSA-N 0 0 408.813 4.058 20 5 HIBDRN CC[C@H](Nc1ccc(C(=O)N[C@H](C)C(=O)OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000436442186 861803634 /nfs/dbraw/zinc/80/36/34/861803634.db2.gz NHRFPKBPCKDYRO-WBMJQRKESA-N 0 0 419.865 4.103 20 5 HIBDRN CC(C)c1cccc(NC(=O)COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000029425160 847562542 /nfs/dbraw/zinc/56/25/42/847562542.db2.gz KOWLHIQBKPVUEG-CQSZACIVSA-N 0 0 402.472 4.381 20 5 HIBDRN Cc1ccc(CCC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000029769505 847615819 /nfs/dbraw/zinc/61/58/19/847615819.db2.gz IPIYHKYDVDYNCS-HXUWFJFHSA-N 0 0 412.486 4.343 20 5 HIBDRN COc1ccc(Br)cc1-c1nc(Cn2cc([N+](=O)[O-])c(C)n2)cs1 ZINC000436473342 861817754 /nfs/dbraw/zinc/81/77/54/861817754.db2.gz HCZFTJIATNQYNE-UHFFFAOYSA-N 0 0 409.265 4.043 20 5 HIBDRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000030313848 847701008 /nfs/dbraw/zinc/70/10/08/847701008.db2.gz ICSSWRGQOUBLIA-UHFFFAOYSA-N 0 0 411.380 4.344 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000030325892 847703669 /nfs/dbraw/zinc/70/36/69/847703669.db2.gz GYEQSBKKAWOMAH-GOSISDBHSA-N 0 0 420.537 4.363 20 5 HIBDRN CCCCCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000030497907 847722870 /nfs/dbraw/zinc/72/28/70/847722870.db2.gz BLSYRGHLENCILD-UHFFFAOYSA-N 0 0 410.467 4.124 20 5 HIBDRN Cc1cccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000031108186 847825217 /nfs/dbraw/zinc/82/52/17/847825217.db2.gz UTIMKABOFZONBL-UHFFFAOYSA-N 0 0 421.419 4.455 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000031467961 847891301 /nfs/dbraw/zinc/89/13/01/847891301.db2.gz QIBVYDQKFZAEIZ-UHFFFAOYSA-N 0 0 413.817 4.240 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000031470150 847892164 /nfs/dbraw/zinc/89/21/64/847892164.db2.gz YBGQFWYBCHNVDJ-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000031483003 847894275 /nfs/dbraw/zinc/89/42/75/847894275.db2.gz VLSUNSMGPZGYDZ-UHFFFAOYSA-N 0 0 404.785 4.399 20 5 HIBDRN O=C(Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1I ZINC000031663581 847925653 /nfs/dbraw/zinc/92/56/53/847925653.db2.gz KDFDGKREFXSGFO-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1F)c1cc([N+](=O)[O-])ccc1I ZINC000031674833 847927479 /nfs/dbraw/zinc/92/74/79/847927479.db2.gz GJWRCFXSLMZYDH-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN CCOC(=O)c1sc2cccc(F)c2c1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000031822049 847955915 /nfs/dbraw/zinc/95/59/15/847955915.db2.gz KWXNCXVTJWUKCD-UHFFFAOYSA-N 0 0 416.386 4.082 20 5 HIBDRN Cc1nc(C)c(-c2nnc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)o2)s1 ZINC000031851288 847959011 /nfs/dbraw/zinc/95/90/11/847959011.db2.gz LLGVUOWODZIFJX-UHFFFAOYSA-N 0 0 416.444 4.060 20 5 HIBDRN Cc1sc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1[N+](=O)[O-] ZINC000031890329 847961269 /nfs/dbraw/zinc/96/12/69/847961269.db2.gz YSCVVWRMONFWKT-HNNXBMFYSA-N 0 0 411.886 4.324 20 5 HIBDRN CNC(=O)c1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 ZINC000031920410 847965724 /nfs/dbraw/zinc/96/57/24/847965724.db2.gz VNYKHVQMWMXKTH-UHFFFAOYSA-N 0 0 418.453 4.127 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000032045895 847982232 /nfs/dbraw/zinc/98/22/32/847982232.db2.gz KBMDCCJQMNSKNS-UHFFFAOYSA-N 0 0 401.488 4.013 20 5 HIBDRN Cc1sc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1[N+](=O)[O-] ZINC000032061834 847984179 /nfs/dbraw/zinc/98/41/79/847984179.db2.gz VPDIAWNDOHZRMI-UHFFFAOYSA-N 0 0 403.441 4.112 20 5 HIBDRN Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1NC(=O)c1ccccc1F ZINC000032147933 847988827 /nfs/dbraw/zinc/98/88/27/847988827.db2.gz AITFXFHCMQMJRH-UHFFFAOYSA-N 0 0 419.412 4.498 20 5 HIBDRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000032323030 848004339 /nfs/dbraw/zinc/00/43/39/848004339.db2.gz ADUYQSPSVZGRII-UHFFFAOYSA-N 0 0 413.842 4.092 20 5 HIBDRN CCCCCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000032406067 848019926 /nfs/dbraw/zinc/01/99/26/848019926.db2.gz HAPIUAKWBBEAJY-UHFFFAOYSA-N 0 0 410.467 4.124 20 5 HIBDRN CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1[N+](=O)[O-] ZINC000032516472 848041731 /nfs/dbraw/zinc/04/17/31/848041731.db2.gz UFAWRHJGTMTCCT-LJQANCHMSA-N 0 0 417.893 4.214 20 5 HIBDRN O=C(CN1CCCSc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000032511314 848041772 /nfs/dbraw/zinc/04/17/72/848041772.db2.gz GHZKIEDROSDEEF-UHFFFAOYSA-N 0 0 422.304 4.298 20 5 HIBDRN O=C(COc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccccc1F ZINC000032516926 848042866 /nfs/dbraw/zinc/04/28/66/848042866.db2.gz SEEUBEKWYBDUNG-UHFFFAOYSA-N 0 0 409.373 4.004 20 5 HIBDRN Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000436598629 861863817 /nfs/dbraw/zinc/86/38/17/861863817.db2.gz BKXUQHBPDNVVLN-FQEVSTJZSA-N 0 0 419.437 4.109 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCC1CCCC1 ZINC000033054545 848103173 /nfs/dbraw/zinc/10/31/73/848103173.db2.gz VYNBCAMTPCTWQJ-UHFFFAOYSA-N 0 0 404.470 4.296 20 5 HIBDRN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033149885 848114240 /nfs/dbraw/zinc/11/42/40/848114240.db2.gz WSYYYDZTZKCAFY-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nc(C(C)=O)cs2)cc1 ZINC000033160985 848116202 /nfs/dbraw/zinc/11/62/02/848116202.db2.gz APPAWTRIBWHONC-UHFFFAOYSA-N 0 0 413.411 4.307 20 5 HIBDRN CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000033173806 848117911 /nfs/dbraw/zinc/11/79/11/848117911.db2.gz VDVPOTYUIUWVIT-UHFFFAOYSA-N 0 0 403.866 4.500 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1(c2ccc(Br)cc2)CCC1 ZINC000033180501 848120030 /nfs/dbraw/zinc/12/00/30/848120030.db2.gz BDIJIDHVEUHRQP-UHFFFAOYSA-N 0 0 418.291 4.007 20 5 HIBDRN O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000033197249 848124114 /nfs/dbraw/zinc/12/41/14/848124114.db2.gz IYBWEJPGZUCCDL-YUMQZZPRSA-N 0 0 424.301 4.110 20 5 HIBDRN CN(Cc1ccco1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000036717167 848156784 /nfs/dbraw/zinc/15/67/84/848156784.db2.gz PJPAUUDWBUKZNY-UHFFFAOYSA-N 0 0 413.817 4.366 20 5 HIBDRN Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000036858335 848170116 /nfs/dbraw/zinc/17/01/16/848170116.db2.gz HQIWKQRGYWGRCQ-LBPRGKRZSA-N 0 0 417.878 4.257 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)c1cc(Br)sc1Br ZINC000037976299 848175483 /nfs/dbraw/zinc/17/54/83/848175483.db2.gz WWRLPUJKCKKQGM-UHFFFAOYSA-N 0 0 421.066 4.443 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)c1cc(Br)sc1Br ZINC000037976306 848176129 /nfs/dbraw/zinc/17/61/29/848176129.db2.gz QLYPXKMYXJFPCP-UHFFFAOYSA-N 0 0 421.066 4.443 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCC(F)(F)F)c2)cc1OC ZINC000041871159 848261140 /nfs/dbraw/zinc/26/11/40/848261140.db2.gz HJKXZWWNJJFLMO-UHFFFAOYSA-N 0 0 414.336 4.196 20 5 HIBDRN CNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1C ZINC000041968917 848269271 /nfs/dbraw/zinc/26/92/71/848269271.db2.gz SJLNUTGCUGNFDG-UHFFFAOYSA-N 0 0 418.453 4.127 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1Cl ZINC000041968698 848269323 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CCOc1cc([N+](=O)[O-])c(C(=O)N(CC)[C@@H](C)c2cccc(OC)c2)cc1OC ZINC000045508332 848686662 /nfs/dbraw/zinc/68/66/62/848686662.db2.gz DHRNYTCHSBYIRM-AWEZNQCLSA-N 0 0 402.447 4.234 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000045782102 848727399 /nfs/dbraw/zinc/72/73/99/848727399.db2.gz NRICWICOVSQOJA-CQSZACIVSA-N 0 0 419.441 4.320 20 5 HIBDRN O=c1c2cc3ccccc3cc2ncn1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000045870597 848743233 /nfs/dbraw/zinc/74/32/33/848743233.db2.gz KSAZICCURFGIGF-MRXNPFEDSA-N 0 0 415.276 4.296 20 5 HIBDRN CCCCOc1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000045888754 848747968 /nfs/dbraw/zinc/74/79/68/848747968.db2.gz JHZBCBGCWKXUTK-UHFFFAOYSA-N 0 0 401.463 4.124 20 5 HIBDRN C[C@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2F)C[C@H](C)O1 ZINC000046067619 848780818 /nfs/dbraw/zinc/78/08/18/848780818.db2.gz NSTBUSOLQQXSBZ-RYUDHWBXSA-N 0 0 407.829 4.253 20 5 HIBDRN C[C@@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2F)C[C@@H](C)O1 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404.348 4.040 20 5 HIBDRN C[C@H](Cc1nnc(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1)c1ccccc1 ZINC000057692950 850697238 /nfs/dbraw/zinc/69/72/38/850697238.db2.gz KIHHDUDZNFYNLC-CQSZACIVSA-N 0 0 424.482 4.005 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(CC(C)C)CC(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000058182052 850777622 /nfs/dbraw/zinc/77/76/22/850777622.db2.gz BHOWFQGQRDGNBN-UHFFFAOYSA-N 0 0 412.412 4.117 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1N1CCc2[nH]c3ccccc3c2C1 ZINC000058194218 850781385 /nfs/dbraw/zinc/78/13/85/850781385.db2.gz AWMHBIWEFCKCLE-UHFFFAOYSA-N 0 0 419.222 4.243 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1ccccc1SCc1cn2ccccc2n1 ZINC000058387925 850814529 /nfs/dbraw/zinc/81/45/29/850814529.db2.gz ZHUJQSKEHIAKJR-UHFFFAOYSA-N 0 0 418.478 4.465 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(OCc2cccnc2)c1 ZINC000058456535 850830419 /nfs/dbraw/zinc/83/04/19/850830419.db2.gz CHCHWNGCKHFJAV-UHFFFAOYSA-N 0 0 406.442 4.400 20 5 HIBDRN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c([N+](=O)[O-])c1 ZINC000058537477 850850027 /nfs/dbraw/zinc/85/00/27/850850027.db2.gz ZYXJGSRPAQOMLP-UHFFFAOYSA-N 0 0 417.425 4.113 20 5 HIBDRN CS(=O)(=O)c1ccc(N[C@@H]2CCCc3cc(OC(F)F)ccc32)c([N+](=O)[O-])c1 ZINC000058555732 850854558 /nfs/dbraw/zinc/85/45/58/850854558.db2.gz FWGTUAOHGDOHJY-OAHLLOKOSA-N 0 0 412.414 4.089 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1cccnc1 ZINC000058604337 850866829 /nfs/dbraw/zinc/86/68/29/850866829.db2.gz XPYFLHLLZLMYNV-UHFFFAOYSA-N 0 0 406.442 4.026 20 5 HIBDRN NC(=O)c1ccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 ZINC000058615814 850869133 /nfs/dbraw/zinc/86/91/33/850869133.db2.gz SHAYDUJQHGVIGB-LJQANCHMSA-N 0 0 424.844 4.139 20 5 HIBDRN O=C(c1ccccc1)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000058666442 850882589 /nfs/dbraw/zinc/88/25/89/850882589.db2.gz XMLFOEGMUHRBIT-UHFFFAOYSA-N 0 0 417.826 4.247 20 5 HIBDRN CCOc1ccc(-c2nc(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)cs2)cc1 ZINC000058690137 850889888 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HIBDRN COc1cccc(Nc2nnc(SCCOc3cccc([N+](=O)[O-])c3)s2)c1 ZINC000059122652 850985526 /nfs/dbraw/zinc/98/55/26/850985526.db2.gz HPZGACKMJFTRJW-UHFFFAOYSA-N 0 0 404.473 4.370 20 5 HIBDRN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000059241428 850986959 /nfs/dbraw/zinc/98/69/59/850986959.db2.gz AVNOWRDOFKDBLL-UHFFFAOYSA-N 0 0 421.409 4.117 20 5 HIBDRN CC[C@@H]1CCc2nc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)sc2C1 ZINC000059318194 850996042 /nfs/dbraw/zinc/99/60/42/850996042.db2.gz FCEXYWKGTOMDCP-CQSZACIVSA-N 0 0 414.531 4.421 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000059361032 851000294 /nfs/dbraw/zinc/00/02/94/851000294.db2.gz CAMXZNMWBNXEMT-UHFFFAOYSA-N 0 0 409.895 4.195 20 5 HIBDRN O=C(c1cc(N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000059734002 851009568 /nfs/dbraw/zinc/00/95/68/851009568.db2.gz ZNIDPFPMZDSJKX-UHFFFAOYSA-N 0 0 419.485 4.091 20 5 HIBDRN O=C(c1cc2ccccc2[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000060355899 851075963 /nfs/dbraw/zinc/07/59/63/851075963.db2.gz SUOCIBPNCUBMPL-UHFFFAOYSA-N 0 0 418.375 4.057 20 5 HIBDRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000060450240 851103869 /nfs/dbraw/zinc/10/38/69/851103869.db2.gz WBTWNVPHYNAASB-UHFFFAOYSA-N 0 0 414.849 4.280 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1C ZINC000060497022 851121337 /nfs/dbraw/zinc/12/13/37/851121337.db2.gz JQVZOYQGAKQBQX-UHFFFAOYSA-N 0 0 402.394 4.051 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)NCC1(c2cccc(Br)c2)CCC1 ZINC000060611547 851166168 /nfs/dbraw/zinc/16/61/68/851166168.db2.gz WUGSTUUBCGXJQX-UHFFFAOYSA-N 0 0 418.291 4.278 20 5 HIBDRN COCc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 ZINC000060706809 851195644 /nfs/dbraw/zinc/19/56/44/851195644.db2.gz OIDJVMMZABMKJI-UHFFFAOYSA-N 0 0 422.437 4.472 20 5 HIBDRN Cc1cccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)c1[N+](=O)[O-] ZINC000060721667 851197513 /nfs/dbraw/zinc/19/75/13/851197513.db2.gz XKFTVAPTFBUKSA-UHFFFAOYSA-N 0 0 405.458 4.449 20 5 HIBDRN C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N(C)C1CCCCC1 ZINC000060731345 851199725 /nfs/dbraw/zinc/19/97/25/851199725.db2.gz VLITYAQCDNYVNI-OAHLLOKOSA-N 0 0 409.555 4.358 20 5 HIBDRN COCCN(C(=O)c1cc(Cl)ccn1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000060776812 851210113 /nfs/dbraw/zinc/21/01/13/851210113.db2.gz QYWBFUKOMGKMIY-UHFFFAOYSA-N 0 0 418.862 4.060 20 5 HIBDRN Cc1ccc(C)n1-c1sccc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000060777002 851210167 /nfs/dbraw/zinc/21/01/67/851210167.db2.gz WZPVQULLZNJAJE-UHFFFAOYSA-N 0 0 410.499 4.026 20 5 HIBDRN COc1ccccc1N(Cc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cccs1 ZINC000060817188 851219285 /nfs/dbraw/zinc/21/92/85/851219285.db2.gz AEDITHKDJBVVAO-UHFFFAOYSA-N 0 0 418.496 4.369 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)NCCc1ccc(Cl)cc1 ZINC000060823591 851223115 /nfs/dbraw/zinc/22/31/15/851223115.db2.gz WFGIONUEEAMIOA-UHFFFAOYSA-N 0 0 402.756 4.005 20 5 HIBDRN Cc1ccc(C(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)cc1[N+](=O)[O-] ZINC000437031859 862219438 /nfs/dbraw/zinc/21/94/38/862219438.db2.gz JDBNVIRJZPANAN-KRWDZBQOSA-N 0 0 414.462 4.117 20 5 HIBDRN Cc1cc(N2CCC(C(=O)Nc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858469 851232628 /nfs/dbraw/zinc/23/26/28/851232628.db2.gz UVMVHKMJBQQRPF-UHFFFAOYSA-N 0 0 417.469 4.215 20 5 HIBDRN O=c1[nH]cnc2cc(NCc3ccc(-c4ccc5c(c4)CCO5)cc3)c([N+](=O)[O-])cc21 ZINC000060875065 851237956 /nfs/dbraw/zinc/23/79/56/851237956.db2.gz UMSBXGCXPRIEBC-UHFFFAOYSA-N 0 0 414.421 4.045 20 5 HIBDRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)Nc1cccc([N+](=O)[O-])c1 ZINC000060976748 851265717 /nfs/dbraw/zinc/26/57/17/851265717.db2.gz ADZDHPGQKKMUNX-UHFFFAOYSA-N 0 0 414.425 4.164 20 5 HIBDRN O=C(CSCc1cc(-c2cccs2)on1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000061135021 851302305 /nfs/dbraw/zinc/30/23/05/851302305.db2.gz JLPGNPPTLGBYJY-UHFFFAOYSA-N 0 0 401.469 4.134 20 5 HIBDRN CCCc1ccc([C@@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000061225455 851321521 /nfs/dbraw/zinc/32/15/21/851321521.db2.gz CWRGSIKCIMCRGE-FQEVSTJZSA-N 0 0 418.515 4.078 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000061284138 851336923 /nfs/dbraw/zinc/33/69/23/851336923.db2.gz BLSCRYOIKLGOGV-UHFFFAOYSA-N 0 0 416.437 4.019 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)OC)c([N+](=O)[O-])cc1OC ZINC000061316411 851346188 /nfs/dbraw/zinc/34/61/88/851346188.db2.gz MXDBFQVCLBTCSD-UHFFFAOYSA-N 0 0 416.430 4.164 20 5 HIBDRN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437045734 862237541 /nfs/dbraw/zinc/23/75/41/862237541.db2.gz UPJZYOIOQJHWIV-UHFFFAOYSA-N 0 0 421.375 4.052 20 5 HIBDRN O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000437047088 862240773 /nfs/dbraw/zinc/24/07/73/862240773.db2.gz UMQBSHDWBYTQMJ-UHFFFAOYSA-N 0 0 408.241 4.031 20 5 HIBDRN CSc1ccc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl ZINC000437051106 862244092 /nfs/dbraw/zinc/24/40/92/862244092.db2.gz LUYJGTYEGFKKDE-UHFFFAOYSA-N 0 0 419.890 4.100 20 5 HIBDRN Cc1c(NC(=O)C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] ZINC000061994249 851488192 /nfs/dbraw/zinc/48/81/92/851488192.db2.gz GLUAXCZRMKNOOL-UHFFFAOYSA-N 0 0 423.400 4.090 20 5 HIBDRN CC(C)OCCOCc1cccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000062415379 851546821 /nfs/dbraw/zinc/54/68/21/851546821.db2.gz IPKGRRNAOHIVLF-INIZCTEOSA-N 0 0 401.463 4.419 20 5 HIBDRN C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc(OCc2ccccn2)c1 ZINC000063069607 851609714 /nfs/dbraw/zinc/60/97/14/851609714.db2.gz OQZJNOJCVPVSJC-MRXNPFEDSA-N 0 0 406.442 4.129 20 5 HIBDRN O=C(NCc1cccc(COCc2ccccc2)c1)NCc1cccc([N+](=O)[O-])c1 ZINC000063069618 851610119 /nfs/dbraw/zinc/61/01/19/851610119.db2.gz XTICMOWMRFDBQK-UHFFFAOYSA-N 0 0 405.454 4.311 20 5 HIBDRN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000063255741 851642341 /nfs/dbraw/zinc/64/23/41/851642341.db2.gz UTDYYLRKGLLVSO-LLVKDONJSA-N 0 0 418.393 4.113 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000063446855 851691310 /nfs/dbraw/zinc/69/13/10/851691310.db2.gz OPXUCAQQRRDLMH-UHFFFAOYSA-N 0 0 421.428 4.378 20 5 HIBDRN O=C(NC1CCCCC1)c1ccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000063470143 851697955 /nfs/dbraw/zinc/69/79/55/851697955.db2.gz OVHBZERURLOFRL-UHFFFAOYSA-N 0 0 421.457 4.319 20 5 HIBDRN CCOc1ccc(C(F)(F)F)cc1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000063479517 851699920 /nfs/dbraw/zinc/69/99/20/851699920.db2.gz ROSIVUAVYSODAT-UHFFFAOYSA-N 0 0 409.364 4.014 20 5 HIBDRN Cc1cc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)no1 ZINC000063631130 851729638 /nfs/dbraw/zinc/72/96/38/851729638.db2.gz OYPNVQLHSWMKLN-SFHVURJKSA-N 0 0 400.822 4.014 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)Cc2cc(Br)cs2)c1 ZINC000063691521 851742098 /nfs/dbraw/zinc/74/20/98/851742098.db2.gz YPDURRQWIRHKAH-UHFFFAOYSA-N 0 0 413.293 4.155 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000063773221 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ZINC000303379395 854899901 /nfs/dbraw/zinc/89/99/01/854899901.db2.gz MDCWHHGXSGTXHO-UHFFFAOYSA-N 0 0 424.482 4.417 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000303428038 854929201 /nfs/dbraw/zinc/92/92/01/854929201.db2.gz BFRVCRUWAGCZQH-AWEZNQCLSA-N 0 0 410.449 4.422 20 5 HIBDRN CN(Cc1cccc2ccccc21)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000303438893 854938257 /nfs/dbraw/zinc/93/82/57/854938257.db2.gz HJUKORKZOXRGEU-SFHVURJKSA-N 0 0 423.494 4.073 20 5 HIBDRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303456563 854956539 /nfs/dbraw/zinc/95/65/39/854956539.db2.gz KDQIYXPYUMJUSX-SNVBAGLBSA-N 0 0 422.812 4.177 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000303457684 854958677 /nfs/dbraw/zinc/95/86/77/854958677.db2.gz KZCQZIPABUGMFF-INIZCTEOSA-N 0 0 415.877 4.081 20 5 HIBDRN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000303464388 854964115 /nfs/dbraw/zinc/96/41/15/854964115.db2.gz OZOCPMNJNVUGLK-AWEZNQCLSA-N 0 0 421.375 4.038 20 5 HIBDRN CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303476136 854971980 /nfs/dbraw/zinc/97/19/80/854971980.db2.gz OWHNNYAGHMGLPR-UHFFFAOYSA-N 0 0 406.225 4.428 20 5 HIBDRN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccc2ccccc21 ZINC000303483681 854976599 /nfs/dbraw/zinc/97/65/99/854976599.db2.gz OYHQASDRJMOWDN-KDOFPFPSSA-N 0 0 423.494 4.292 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000303499866 854989075 /nfs/dbraw/zinc/98/90/75/854989075.db2.gz UTAVOTCNXXKGFJ-INIZCTEOSA-N 0 0 420.872 4.482 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NCCc2nc(-c3ccccn3)cs2)cc1[N+](=O)[O-] ZINC000303508678 854997376 /nfs/dbraw/zinc/99/73/76/854997376.db2.gz ODIAIXDVAXGXEU-UHFFFAOYSA-N 0 0 410.499 4.383 20 5 HIBDRN O=C(N[C@H]1CCCN(c2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000303612184 855077149 /nfs/dbraw/zinc/07/71/49/855077149.db2.gz LOYFGXVXJONVNE-INIZCTEOSA-N 0 0 408.483 4.117 20 5 HIBDRN Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000303659793 855112672 /nfs/dbraw/zinc/11/26/72/855112672.db2.gz HBWQSWNYIQEROF-IBGZPJMESA-N 0 0 405.458 4.241 20 5 HIBDRN CC(C)C[C@H]1COCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000303662071 855114424 /nfs/dbraw/zinc/11/44/24/855114424.db2.gz VTNRAWOKSRVFHA-AEFFLSMTSA-N 0 0 412.490 4.050 20 5 HIBDRN O=C(c1cc2c(s1)-c1ccccc1CC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303664457 855116025 /nfs/dbraw/zinc/11/60/25/855116025.db2.gz DXHFZSLSDSEYSS-INIZCTEOSA-N 0 0 420.494 4.144 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)C[C@@H](C)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000303702114 855140818 /nfs/dbraw/zinc/14/08/18/855140818.db2.gz OKBCYEIKBFAFKN-DNVCBOLYSA-N 0 0 416.449 4.427 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000303722897 855151148 /nfs/dbraw/zinc/15/11/48/855151148.db2.gz SCPZOBZUGRFWOF-KRWDZBQOSA-N 0 0 423.429 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ZINC000409496664 855508853 /nfs/dbraw/zinc/50/88/53/855508853.db2.gz AMLNXSUPKMAWMI-CYBMUJFWSA-N 0 0 403.485 4.066 20 5 HIBDRN Cc1csc(-c2cccc(S(=O)(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)n1 ZINC000409501257 855511670 /nfs/dbraw/zinc/51/16/70/855511670.db2.gz LHONTRJBPYTDCO-CQSZACIVSA-N 0 0 417.512 4.375 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000409526816 855524751 /nfs/dbraw/zinc/52/47/51/855524751.db2.gz IJMBRPSAMDWPMH-UHFFFAOYSA-N 0 0 408.252 4.423 20 5 HIBDRN CCCCCn1cc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c(C)n1 ZINC000409547239 855536659 /nfs/dbraw/zinc/53/66/59/855536659.db2.gz CMMJFQYVZSMXLO-UHFFFAOYSA-N 0 0 415.313 4.044 20 5 HIBDRN Cc1csc(NC(=O)CSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n1 ZINC000409643471 855579598 /nfs/dbraw/zinc/57/95/98/855579598.db2.gz COVJCZAJVCPDQO-UHFFFAOYSA-N 0 0 413.480 4.322 20 5 HIBDRN COCCOc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl ZINC000437385529 862701587 /nfs/dbraw/zinc/70/15/87/862701587.db2.gz CPZABHCXVHCOBK-UHFFFAOYSA-N 0 0 419.865 4.470 20 5 HIBDRN Cc1c(NC(=O)NCc2ccc(OCCOc3ccccc3)nc2)cccc1[N+](=O)[O-] ZINC000409753547 855636698 /nfs/dbraw/zinc/63/66/98/855636698.db2.gz WPASOALOZRWCMJ-UHFFFAOYSA-N 0 0 422.441 4.078 20 5 HIBDRN COc1cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OC ZINC000409817211 855669840 /nfs/dbraw/zinc/66/98/40/855669840.db2.gz QCVJPQNSDOTIIE-UHFFFAOYSA-N 0 0 424.251 4.005 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCOc4c(F)cccc43)cc2[N+](=O)[O-])C1 ZINC000409855206 855689677 /nfs/dbraw/zinc/68/96/77/855689677.db2.gz MHARVVDGSZFHIF-KBXCAEBGSA-N 0 0 413.449 4.224 20 5 HIBDRN CCCc1noc2nc(CC)cc(C(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)c12 ZINC000409932791 855731471 /nfs/dbraw/zinc/73/14/71/855731471.db2.gz OXIQEOJFQWWAOG-UHFFFAOYSA-N 0 0 405.414 4.446 20 5 HIBDRN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)s2)c(F)c1 ZINC000409962482 855747633 /nfs/dbraw/zinc/74/76/33/855747633.db2.gz RFAJAPXFOCGKAN-UHFFFAOYSA-N 0 0 417.418 4.435 20 5 HIBDRN Cc1c(CNC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)cccc1[N+](=O)[O-] ZINC000409984781 855762881 /nfs/dbraw/zinc/76/28/81/855762881.db2.gz UEIIKZBVEXXHGI-FXAWDEMLSA-N 0 0 415.287 4.186 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1NC(=O)Cc1cccs1 ZINC000409987032 855763555 /nfs/dbraw/zinc/76/35/55/855763555.db2.gz SALLKIQWJCMPPG-UHFFFAOYSA-N 0 0 411.439 4.098 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000410042936 855794462 /nfs/dbraw/zinc/79/44/62/855794462.db2.gz FUSSJNVVDOVOEH-JOCHJYFZSA-N 0 0 403.438 4.143 20 5 HIBDRN CCc1nn(C)cc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000410165391 855846609 /nfs/dbraw/zinc/84/66/09/855846609.db2.gz WMFZJCTZIPXRAI-UHFFFAOYSA-N 0 0 403.489 4.059 20 5 HIBDRN O=C(c1ccc(N2CCC[C@H]2CCC2CCCC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000410214515 855864885 /nfs/dbraw/zinc/86/48/85/855864885.db2.gz KSPSIPIFFNQHMF-IBGZPJMESA-N 0 0 401.507 4.006 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)c1 ZINC000410225691 855869051 /nfs/dbraw/zinc/86/90/51/855869051.db2.gz ASTRZCZXQLPSFO-UHFFFAOYSA-N 0 0 413.449 4.279 20 5 HIBDRN CCCn1nccc1C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000410282697 855900951 /nfs/dbraw/zinc/90/09/51/855900951.db2.gz INTDUEJOBMTLQQ-UHFFFAOYSA-N 0 0 410.396 4.240 20 5 HIBDRN Cc1c(C(=O)N[C@@H](C)c2cc3ccccc3s2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000410327337 855930338 /nfs/dbraw/zinc/93/03/38/855930338.db2.gz QMMDILTYRZHACW-LBPRGKRZSA-N 0 0 407.455 4.190 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000410401115 855975974 /nfs/dbraw/zinc/97/59/74/855975974.db2.gz NOYAGLFZOLERBF-UHFFFAOYSA-N 0 0 419.275 4.142 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000410404116 855978027 /nfs/dbraw/zinc/97/80/27/855978027.db2.gz UVWXEARWPYORPW-UHFFFAOYSA-N 0 0 411.311 4.338 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000410405110 855979200 /nfs/dbraw/zinc/97/92/00/855979200.db2.gz 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CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000426236051 856194296 /nfs/dbraw/zinc/19/42/96/856194296.db2.gz FBVMKBMRIBBUIP-RDJZCZTQSA-N 0 0 417.428 4.397 20 5 HIBDRN CC(C)[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1F ZINC000426252794 856203808 /nfs/dbraw/zinc/20/38/08/856203808.db2.gz QMUOBDZDZMSJCU-GOSISDBHSA-N 0 0 423.876 4.328 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H](COc2ccccc2)C1 ZINC000426262452 856207760 /nfs/dbraw/zinc/20/77/60/856207760.db2.gz FFSXQXIIVBHESV-AWEZNQCLSA-N 0 0 423.391 4.224 20 5 HIBDRN CCCO[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000426262028 856208192 /nfs/dbraw/zinc/20/81/92/856208192.db2.gz CEAWMAXOGMEYRU-MRXNPFEDSA-N 0 0 403.401 4.104 20 5 HIBDRN CN(CCCOc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426260778 856208225 /nfs/dbraw/zinc/20/82/25/856208225.db2.gz KWGPTMIFKDOZNT-UHFFFAOYSA-N 0 0 411.380 4.224 20 5 HIBDRN CCN(Cc1ccc(OC)cc1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426272617 856213228 /nfs/dbraw/zinc/21/32/28/856213228.db2.gz YQXUYSHDWHPOGU-UHFFFAOYSA-N 0 0 411.380 4.354 20 5 HIBDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426274812 856214284 /nfs/dbraw/zinc/21/42/84/856214284.db2.gz DLLGADRBJQYXMX-UKRRQHHQSA-N 0 0 405.442 4.429 20 5 HIBDRN COc1ccccc1[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426273696 856214793 /nfs/dbraw/zinc/21/47/93/856214793.db2.gz JFAFACDQUDEETR-CQSZACIVSA-N 0 0 423.391 4.321 20 5 HIBDRN Cc1ccc(-c2nc(CCNC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)co2)cc1 ZINC000426277699 856216138 /nfs/dbraw/zinc/21/61/38/856216138.db2.gz KGMHTPPIYVCBIT-UHFFFAOYSA-N 0 0 420.469 4.475 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000426281781 856218469 /nfs/dbraw/zinc/21/84/69/856218469.db2.gz ONXMNMCZPQWLPN-QGZVFWFLSA-N 0 0 415.412 4.247 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCc2c(F)cc(F)cc2C1 ZINC000426284125 856220786 /nfs/dbraw/zinc/22/07/86/856220786.db2.gz UFOKVCMJJXBOTH-UHFFFAOYSA-N 0 0 415.318 4.160 20 5 HIBDRN O=C(NCc1ccc(Br)c(F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426283819 856220988 /nfs/dbraw/zinc/22/09/88/856220988.db2.gz QKZYEPTVCTUKBJ-UHFFFAOYSA-N 0 0 422.254 4.371 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CCC(OC[C@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000426381361 856267232 /nfs/dbraw/zinc/26/72/32/856267232.db2.gz YLFFJXAXMGQGST-OAQYLSRUSA-N 0 0 424.497 4.380 20 5 HIBDRN CC(C)(c1nc(Cc2cc(Cl)c3c(c2)OCCO3)no1)c1ccccc1[N+](=O)[O-] ZINC000426520742 856332163 /nfs/dbraw/zinc/33/21/63/856332163.db2.gz GGUHPQOHKSIGKG-UHFFFAOYSA-N 0 0 415.833 4.319 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SCc1cccc(OC(F)F)c1 ZINC000426555540 856346068 /nfs/dbraw/zinc/34/60/68/856346068.db2.gz AAVRNKPUEGFBHN-NSHDSACASA-N 0 0 412.414 4.465 20 5 HIBDRN CCOC(=O)c1cc(-c2nc(-c3ccc(OC(C)(C)C)cn3)no2)cc([N+](=O)[O-])c1 ZINC000426571410 856354501 /nfs/dbraw/zinc/35/45/01/856354501.db2.gz VBGDCJTUTZHRMB-UHFFFAOYSA-N 0 0 412.402 4.061 20 5 HIBDRN COc1ccc(C[NH2+]C[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426635807 856386173 /nfs/dbraw/zinc/38/61/73/856386173.db2.gz BSWYDVIKSVWEQL-NRFANRHFSA-N 0 0 420.465 4.304 20 5 HIBDRN O=C([O-])CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCC1 ZINC000426641011 856389161 /nfs/dbraw/zinc/38/91/61/856389161.db2.gz XBWGFWLNPJTEIT-UHFFFAOYSA-N 0 0 423.263 4.352 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+][C@H](CC(=O)[O-])c3ccsc3)o2)c([N+](=O)[O-])c1 ZINC000426692480 856416530 /nfs/dbraw/zinc/41/65/30/856416530.db2.gz SCZUOZMIVIOTAB-MRXNPFEDSA-N 0 0 402.428 4.231 20 5 HIBDRN CN(c1ccccc1)c1ccc(C[NH2+][C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426722764 856433974 /nfs/dbraw/zinc/43/39/74/856433974.db2.gz IRIPMOZMCJQVHL-HXUWFJFHSA-N 0 0 423.444 4.287 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000426725578 856437206 /nfs/dbraw/zinc/43/72/06/856437206.db2.gz CFTDHASTUJNHCV-KRWDZBQOSA-N 0 0 408.241 4.168 20 5 HIBDRN O=C([O-])[C@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000426736853 856444243 /nfs/dbraw/zinc/44/42/43/856444243.db2.gz KQNDIKMBQQFHOZ-KRWDZBQOSA-N 0 0 417.874 4.157 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2F)cccc1[N+](=O)[O-] ZINC000437429817 862803206 /nfs/dbraw/zinc/80/32/06/862803206.db2.gz JBADLOICCRSLLH-UHFFFAOYSA-N 0 0 421.428 4.210 20 5 HIBDRN O=C([O-])[C@@H](CCCc1ccccc1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426836029 856506312 /nfs/dbraw/zinc/50/63/12/856506312.db2.gz SQQLKYUYHFWKGG-LJQANCHMSA-N 0 0 411.483 4.284 20 5 HIBDRN Cc1cccc(Cc2cnc(NC(=O)c3c(N)cccc3[N+](=O)[O-])s2)c1Cl ZINC000426877093 856523372 /nfs/dbraw/zinc/52/33/72/856523372.db2.gz VKLLNHRQEIRFAO-UHFFFAOYSA-N 0 0 402.863 4.438 20 5 HIBDRN Cc1cnc([C@@H](C)NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000427039568 856607060 /nfs/dbraw/zinc/60/70/60/856607060.db2.gz ZJKHFLUGCRBSLH-SECBINFHSA-N 0 0 405.423 4.348 20 5 HIBDRN O=C(N[C@@H](CCCO)c1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427043104 856607830 /nfs/dbraw/zinc/60/78/30/856607830.db2.gz GCMVPFMGBWAUEJ-QFIPXVFZSA-N 0 0 420.465 4.417 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000437449598 862815233 /nfs/dbraw/zinc/81/52/33/862815233.db2.gz OOOZBIVRBKXWNN-XZJROXQQSA-N 0 0 408.426 4.349 20 5 HIBDRN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427059617 856615003 /nfs/dbraw/zinc/61/50/03/856615003.db2.gz BJJXDTZZZBEUPG-PGRDOPGGSA-N 0 0 412.486 4.235 20 5 HIBDRN Cc1cc(C2CCN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000427079643 856624605 /nfs/dbraw/zinc/62/46/05/856624605.db2.gz ZAESSUVVHBPUCS-UHFFFAOYSA-N 0 0 420.469 4.225 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)n1 ZINC000427129077 856657620 /nfs/dbraw/zinc/65/76/20/856657620.db2.gz SYWVETAPJZEPFC-UHFFFAOYSA-N 0 0 407.455 4.264 20 5 HIBDRN Cc1nc(C)n(Cc2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2)n1 ZINC000427149966 856670608 /nfs/dbraw/zinc/67/06/08/856670608.db2.gz LGPOVHWRXFUKMP-UHFFFAOYSA-N 0 0 407.455 4.318 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000427156664 856676288 /nfs/dbraw/zinc/67/62/88/856676288.db2.gz BIFJAGSLMJHALW-VGOFRKELSA-N 0 0 420.469 4.094 20 5 HIBDRN C[C@H]1CN(Cc2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)C[C@H](C)O1 ZINC000437460887 862823322 /nfs/dbraw/zinc/82/33/22/862823322.db2.gz SISUTQZFJXSSIK-ROUUACIJSA-N 0 0 423.513 4.009 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000427176123 856692618 /nfs/dbraw/zinc/69/26/18/856692618.db2.gz UTVMCTOJJRQGDX-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN O=c1c(C(F)(F)F)nc2ccc(C(F)(F)F)cc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000427262004 856742360 /nfs/dbraw/zinc/74/23/60/856742360.db2.gz CTURAKLYNJRVJP-UHFFFAOYSA-N 0 0 417.265 4.391 20 5 HIBDRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427385881 856803474 /nfs/dbraw/zinc/80/34/74/856803474.db2.gz AGBRIAJLBYYNRQ-OAHLLOKOSA-N 0 0 413.474 4.100 20 5 HIBDRN CCOc1cc(NC(=O)c2ccc(F)cc2OC(F)F)c([N+](=O)[O-])cc1OCC ZINC000427395420 856805670 /nfs/dbraw/zinc/80/56/70/856805670.db2.gz PGBCEHUZADWMPA-UHFFFAOYSA-N 0 0 414.336 4.385 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)n1 ZINC000427397868 856806313 /nfs/dbraw/zinc/80/63/13/856806313.db2.gz IXRAESMVUQDURG-UHFFFAOYSA-N 0 0 409.273 4.438 20 5 HIBDRN C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000427425021 856815043 /nfs/dbraw/zinc/81/50/43/856815043.db2.gz SOENJPPJJBTUIS-LMSBXDPUSA-N 0 0 401.507 4.116 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)n1 ZINC000427450202 856825013 /nfs/dbraw/zinc/82/50/13/856825013.db2.gz SCZACGAEABGKSP-UHFFFAOYSA-N 0 0 410.396 4.415 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000427456242 856827738 /nfs/dbraw/zinc/82/77/38/856827738.db2.gz OKOLPQOYVFEERB-UHFFFAOYSA-N 0 0 403.410 4.050 20 5 HIBDRN Cc1sc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc1[N+](=O)[O-] ZINC000427456482 856827865 /nfs/dbraw/zinc/82/78/65/856827865.db2.gz AJBLMDLPQWLJAX-KRWDZBQOSA-N 0 0 402.863 4.270 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1 ZINC000427459573 856829822 /nfs/dbraw/zinc/82/98/22/856829822.db2.gz NQOHQUPHEHONIM-UHFFFAOYSA-N 0 0 402.410 4.409 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000427459202 856829861 /nfs/dbraw/zinc/82/98/61/856829861.db2.gz QJLDCTBYELHBEH-QGZVFWFLSA-N 0 0 408.414 4.021 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc(-c2ccccc2)c(C)c1 ZINC000427485552 856838601 /nfs/dbraw/zinc/83/86/01/856838601.db2.gz BDNUDDKJBJDUBZ-UHFFFAOYSA-N 0 0 417.465 4.442 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(C3CCC3)cc2)ccc1[N+](=O)[O-] ZINC000427568197 856869373 /nfs/dbraw/zinc/86/93/73/856869373.db2.gz DNDAQPKDRSNQOX-JOCHJYFZSA-N 0 0 421.497 4.092 20 5 HIBDRN O=C(c1ccc(OCc2ccccc2)nc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427581607 856876859 /nfs/dbraw/zinc/87/68/59/856876859.db2.gz ZIYPMFVQSHEVQV-UHFFFAOYSA-N 0 0 403.438 4.374 20 5 HIBDRN CCOC(=O)c1cc2cc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc2[nH]1 ZINC000427582893 856877842 /nfs/dbraw/zinc/87/78/42/856877842.db2.gz JVRQQIQCBNKJPX-UHFFFAOYSA-N 0 0 407.426 4.058 20 5 HIBDRN C[C@H]1CN(Cc2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)C[C@H](C)O1 ZINC000427594744 856881876 /nfs/dbraw/zinc/88/18/76/856881876.db2.gz RGIBUTVSKIQCLX-ROUUACIJSA-N 0 0 423.513 4.009 20 5 HIBDRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000427596888 856882920 /nfs/dbraw/zinc/88/29/20/856882920.db2.gz OMPSYKJSGNXAGI-OAQYLSRUSA-N 0 0 407.474 4.020 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2ccc(Cl)cc2Cl)C(C)C)n1 ZINC000427605489 856886064 /nfs/dbraw/zinc/88/60/64/856886064.db2.gz ZWYUAJGVKNFGQA-ZDUSSCGKSA-N 0 0 413.305 4.363 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000427615556 856888042 /nfs/dbraw/zinc/88/80/42/856888042.db2.gz OPFWBOZOYLGTOR-INIZCTEOSA-N 0 0 405.248 4.343 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000427682329 856907456 /nfs/dbraw/zinc/90/74/56/856907456.db2.gz JHFIESCSMXVAOP-UHFFFAOYSA-N 0 0 417.874 4.353 20 5 HIBDRN COCCN(Cc1ccc(Br)s1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000427747000 856936098 /nfs/dbraw/zinc/93/60/98/856936098.db2.gz HQXUVSVEZUNLPN-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC000427749372 856937464 /nfs/dbraw/zinc/93/74/64/856937464.db2.gz STJDTXYAWQBGGR-UHFFFAOYSA-N 0 0 404.463 4.277 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000427780699 856951593 /nfs/dbraw/zinc/95/15/93/856951593.db2.gz NZDCVOBFLPIBFF-UHFFFAOYSA-N 0 0 401.271 4.255 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000427784823 856953319 /nfs/dbraw/zinc/95/33/19/856953319.db2.gz ZXHULUQENNHSHE-UHFFFAOYSA-N 0 0 401.271 4.255 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000427801495 856961538 /nfs/dbraw/zinc/96/15/38/856961538.db2.gz VBADMAZVUWOADI-WMZOPIPTSA-N 0 0 402.878 4.022 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000427850487 856981436 /nfs/dbraw/zinc/98/14/36/856981436.db2.gz PRHHVQVWFWFDEO-UHFFFAOYSA-N 0 0 403.504 4.377 20 5 HIBDRN CCS[C@@H]1CCCC[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000427900672 856999720 /nfs/dbraw/zinc/99/97/20/856999720.db2.gz ILVCMRUDDRTDPB-UKRRQHHQSA-N 0 0 406.426 4.330 20 5 HIBDRN CCc1ncc(NC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cn1 ZINC000437509978 862859713 /nfs/dbraw/zinc/85/97/13/862859713.db2.gz YAZAIDVJJNLWCI-UHFFFAOYSA-N 0 0 422.466 4.152 20 5 HIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000427932846 857013109 /nfs/dbraw/zinc/01/31/09/857013109.db2.gz YWSPMINWWMNMGD-UHFFFAOYSA-N 0 0 422.441 4.145 20 5 HIBDRN O=C(N[C@H](CO)C1CCCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000427974622 857028239 /nfs/dbraw/zinc/02/82/39/857028239.db2.gz QKRODOHLNYUSES-QGZVFWFLSA-N 0 0 404.850 4.321 20 5 HIBDRN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428014502 857042622 /nfs/dbraw/zinc/04/26/22/857042622.db2.gz OZMOSMKMZXFQAS-CQSZACIVSA-N 0 0 413.861 4.265 20 5 HIBDRN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428017567 857043648 /nfs/dbraw/zinc/04/36/48/857043648.db2.gz NODCGWNHHZGRMK-SFHVURJKSA-N 0 0 411.433 4.044 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)N(C(N)=O)CC2 ZINC000428025515 857046825 /nfs/dbraw/zinc/04/68/25/857046825.db2.gz SMAUGRKQIQDWKA-UHFFFAOYSA-N 0 0 414.487 4.181 20 5 HIBDRN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1nc(C(C)(C)C)cs1 ZINC000428034005 857050225 /nfs/dbraw/zinc/05/02/25/857050225.db2.gz CFMACHGZDIADGV-LBPRGKRZSA-N 0 0 414.487 4.153 20 5 HIBDRN O=C(Nc1nc2cc(F)ccc2[nH]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000428036222 857051566 /nfs/dbraw/zinc/05/15/66/857051566.db2.gz GUIIBURJKRESBK-UHFFFAOYSA-N 0 0 408.339 4.227 20 5 HIBDRN COC(=O)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(OC)cc1 ZINC000428096119 857070567 /nfs/dbraw/zinc/07/05/67/857070567.db2.gz AASCKWLJGJIVFO-FQEVSTJZSA-N 0 0 412.467 4.336 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000428136676 857085754 /nfs/dbraw/zinc/08/57/54/857085754.db2.gz KWOVIFCECINAOQ-SFHVURJKSA-N 0 0 404.430 4.356 20 5 HIBDRN O=C(N[C@H]1CSc2ccc(Br)cc21)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000428183806 857102310 /nfs/dbraw/zinc/10/23/10/857102310.db2.gz IBGLBRMUEBPGCQ-HNNXBMFYSA-N 0 0 418.272 4.415 20 5 HIBDRN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000428184942 857103577 /nfs/dbraw/zinc/10/35/77/857103577.db2.gz LBBCPZQABSLDPY-CYBMUJFWSA-N 0 0 418.272 4.415 20 5 HIBDRN O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000428220237 857116272 /nfs/dbraw/zinc/11/62/72/857116272.db2.gz QMGJHIKRDSKKKR-UHFFFAOYSA-N 0 0 417.303 4.397 20 5 HIBDRN CCn1c2ccccc2c2cc(NC(=O)COc3ccc([N+](=O)[O-])c(CO)c3)ccc21 ZINC000428250859 857127441 /nfs/dbraw/zinc/12/74/41/857127441.db2.gz XBKYHYUNJPPUOP-UHFFFAOYSA-N 0 0 419.437 4.232 20 5 HIBDRN CC1(C)[C@H](O)C[C@@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000428304864 857146971 /nfs/dbraw/zinc/14/69/71/857146971.db2.gz XUKVBKNUWGGDQA-JKSUJKDBSA-N 0 0 406.891 4.289 20 5 HIBDRN O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000428357875 857171059 /nfs/dbraw/zinc/17/10/59/857171059.db2.gz LQTZKVUXLXWSRZ-UHFFFAOYSA-N 0 0 405.336 4.176 20 5 HIBDRN COC(=O)C[C@H](NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000428386187 857185413 /nfs/dbraw/zinc/18/54/13/857185413.db2.gz RNNKNSJSGRIMHP-GUYCJALGSA-N 0 0 419.865 4.221 20 5 HIBDRN Cc1nc(C(C)C)oc1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000428458265 857209588 /nfs/dbraw/zinc/20/95/88/857209588.db2.gz BHPPQZDZLXSFKO-UHFFFAOYSA-N 0 0 412.412 4.356 20 5 HIBDRN CCCOc1cc(NC(=O)Cc2nc(C)sc2C)c([N+](=O)[O-])cc1OCCC ZINC000428501868 857229053 /nfs/dbraw/zinc/22/90/53/857229053.db2.gz YQESHYCAMZWMCV-UHFFFAOYSA-N 0 0 407.492 4.427 20 5 HIBDRN CC[C@@]1(CO)CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000428528611 857242551 /nfs/dbraw/zinc/24/25/51/857242551.db2.gz DNDHJBPJOYRDSA-OAQYLSRUSA-N 0 0 400.500 4.371 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc(-c2ccccc2)c(C)c1 ZINC000428564002 857267170 /nfs/dbraw/zinc/26/71/70/857267170.db2.gz WVFGXQRZPRWOFK-HXUWFJFHSA-N 0 0 421.501 4.119 20 5 HIBDRN O=[N+]([O-])c1ccc(Oc2nn3cc(-c4ccc(Cl)cc4)nc3s2)cc1CO ZINC000428662391 857292617 /nfs/dbraw/zinc/29/26/17/857292617.db2.gz YMRIHFJCZIJADG-UHFFFAOYSA-N 0 0 402.819 4.304 20 5 HIBDRN C[C@@H](O)CN(C)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000428674898 857295079 /nfs/dbraw/zinc/29/50/79/857295079.db2.gz JZPYCXBWPJXFGS-LLVKDONJSA-N 0 0 414.405 4.218 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCc2ccncc2C)cc1[N+](=O)[O-] ZINC000428757229 857320811 /nfs/dbraw/zinc/32/08/11/857320811.db2.gz IRUKKWYBYOXHOE-UHFFFAOYSA-N 0 0 421.478 4.181 20 5 HIBDRN COC[C@@H](C)Nc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437589201 862903370 /nfs/dbraw/zinc/90/33/70/862903370.db2.gz JVACYTUTSDJLGS-CHWSQXEVSA-N 0 0 407.854 4.101 20 5 HIBDRN CCn1cnnc1-c1ccccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000428896276 857397875 /nfs/dbraw/zinc/39/78/75/857397875.db2.gz MFKWOZOVZJMYIV-UHFFFAOYSA-N 0 0 408.462 4.316 20 5 HIBDRN CC[C@H](NC(=O)Nc1ccc(CS(=O)(=O)C(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000429061443 857485486 /nfs/dbraw/zinc/48/54/86/857485486.db2.gz ONQFXWGTWCAGHS-IBGZPJMESA-N 0 0 419.503 4.191 20 5 HIBDRN CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000429095203 857506506 /nfs/dbraw/zinc/50/65/06/857506506.db2.gz MKIUVYAHMPGJNM-UHFFFAOYSA-N 0 0 406.320 4.208 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429149694 857532446 /nfs/dbraw/zinc/53/24/46/857532446.db2.gz LUQIHWQSTMQOJQ-INIZCTEOSA-N 0 0 405.907 4.362 20 5 HIBDRN CCOc1cc(NC(=O)N(C[C@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])cc1OCC ZINC000429249700 857574152 /nfs/dbraw/zinc/57/41/52/857574152.db2.gz CCFOUYDJJIKAQI-MRXNPFEDSA-N 0 0 421.494 4.348 20 5 HIBDRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429261341 857580899 /nfs/dbraw/zinc/58/08/99/857580899.db2.gz AQMUCCIWJDNYJJ-UHFFFAOYSA-N 0 0 410.301 4.385 20 5 HIBDRN CCCc1c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cnn1-c1ccccc1C ZINC000429269166 857583641 /nfs/dbraw/zinc/58/36/41/857583641.db2.gz UZBVQUWGMPUBRA-UHFFFAOYSA-N 0 0 424.457 4.068 20 5 HIBDRN COC[C@@H](C)Nc1ccccc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437619569 862935546 /nfs/dbraw/zinc/93/55/46/862935546.db2.gz IQEFKTLPWNCCCF-CYBMUJFWSA-N 0 0 407.854 4.103 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cn2c(n1)CCCC2 ZINC000429506606 857703871 /nfs/dbraw/zinc/70/38/71/857703871.db2.gz AZQNEJYJPGTEAV-UHFFFAOYSA-N 0 0 402.520 4.292 20 5 HIBDRN CCc1cccc2c1OCC[C@H]2NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429794832 857887140 /nfs/dbraw/zinc/88/71/40/857887140.db2.gz JQBZBWRYXVPQFJ-OAHLLOKOSA-N 0 0 405.248 4.173 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NCc3ccc([N+](=O)[O-])cc3OC)cc2)cc1 ZINC000429800322 857889795 /nfs/dbraw/zinc/88/97/95/857889795.db2.gz ILIYZFSNJBHKJD-UHFFFAOYSA-N 0 0 407.426 4.476 20 5 HIBDRN COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2OC)c2ccccc2OC)cc1 ZINC000429810152 857892683 /nfs/dbraw/zinc/89/26/83/857892683.db2.gz SYSRTQBDEGGNEF-HSZRJFAPSA-N 0 0 408.454 4.500 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429822044 857897359 /nfs/dbraw/zinc/89/73/59/857897359.db2.gz SQSJIFKJCSDUCY-IRXDYDNUSA-N 0 0 423.238 4.147 20 5 HIBDRN CC(C)COc1cccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000429843986 857907051 /nfs/dbraw/zinc/90/70/51/857907051.db2.gz HQUHJMBYEZYFLP-UHFFFAOYSA-N 0 0 407.264 4.322 20 5 HIBDRN O=C(NCCc1ccccc1C(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429853142 857911447 /nfs/dbraw/zinc/91/14/47/857911447.db2.gz RDWKIGYOEUOAKL-UHFFFAOYSA-N 0 0 417.181 4.349 20 5 HIBDRN O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429941682 857961731 /nfs/dbraw/zinc/96/17/31/857961731.db2.gz ZDDITBTXLMJQSO-UHFFFAOYSA-N 0 0 418.247 4.127 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2C)cc1[N+](=O)[O-] ZINC000429959193 857970201 /nfs/dbraw/zinc/97/02/01/857970201.db2.gz CVAWZMMIOBWWJN-UHFFFAOYSA-N 0 0 415.405 4.265 20 5 HIBDRN COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430056052 858015555 /nfs/dbraw/zinc/01/55/55/858015555.db2.gz FGRQOUAPEDJNJQ-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN CC1(C)CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1c1cccnc1 ZINC000430093763 858028731 /nfs/dbraw/zinc/02/87/31/858028731.db2.gz IFVRMQKFRDUDOA-INIZCTEOSA-N 0 0 423.254 4.178 20 5 HIBDRN Cc1cc(Br)cnc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430098155 858030830 /nfs/dbraw/zinc/03/08/30/858030830.db2.gz CQFBDFJTPICPBS-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)c1 ZINC000430192003 858075586 /nfs/dbraw/zinc/07/55/86/858075586.db2.gz NBSDDZYMPZLISL-UHFFFAOYSA-N 0 0 418.247 4.119 20 5 HIBDRN COC(=O)[C@](C)(NCc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)c(Cl)c1 ZINC000430206442 858081355 /nfs/dbraw/zinc/08/13/55/858081355.db2.gz OLPZNMPTADTNMY-GOSISDBHSA-N 0 0 413.257 4.088 20 5 HIBDRN Cc1ccccc1CN(Cc1cccnc1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430402790 858146747 /nfs/dbraw/zinc/14/67/47/858146747.db2.gz SXRIIIQBNGACOB-UHFFFAOYSA-N 0 0 405.454 4.214 20 5 HIBDRN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)c1ccco1 ZINC000430409057 858148362 /nfs/dbraw/zinc/14/83/62/858148362.db2.gz REMRDOSZXZMBGR-UHFFFAOYSA-N 0 0 409.398 4.074 20 5 HIBDRN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000430437782 858163100 /nfs/dbraw/zinc/16/31/00/858163100.db2.gz GQXRFHMKKFMJOR-ZWKOTPCHSA-N 0 0 420.252 4.113 20 5 HIBDRN Cc1sc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000430439725 858165072 /nfs/dbraw/zinc/16/50/72/858165072.db2.gz PXFGYKGXHWUFHM-DZGCQCFKSA-N 0 0 401.271 4.002 20 5 HIBDRN COCCCOc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000430488590 858195533 /nfs/dbraw/zinc/19/55/33/858195533.db2.gz KZNOTRXLNVLYBZ-ZDUSSCGKSA-N 0 0 408.838 4.070 20 5 HIBDRN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000430563961 858218986 /nfs/dbraw/zinc/21/89/86/858218986.db2.gz KKMATDOUEOHRGO-UHFFFAOYSA-N 0 0 401.438 4.384 20 5 HIBDRN Cc1cnc(C(C)(C)NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000430575422 858224799 /nfs/dbraw/zinc/22/47/99/858224799.db2.gz KZTLYHSKWINCFA-ZDUSSCGKSA-N 0 0 402.520 4.261 20 5 HIBDRN O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430594141 858231263 /nfs/dbraw/zinc/23/12/63/858231263.db2.gz GADAGAIFYGZFGK-WMLDXEAASA-N 0 0 403.276 4.499 20 5 HIBDRN O=C(NCC1(c2cccc(Cl)c2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430597193 858232296 /nfs/dbraw/zinc/23/22/96/858232296.db2.gz PZBZWUCVJKVSLQ-UHFFFAOYSA-N 0 0 409.667 4.472 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000430643540 858245840 /nfs/dbraw/zinc/24/58/40/858245840.db2.gz RPJCEWOZCVAICT-FZKQIMNGSA-N 0 0 419.275 4.268 20 5 HIBDRN COc1ccc(Oc2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cn2)cc1 ZINC000430676780 858264585 /nfs/dbraw/zinc/26/45/85/858264585.db2.gz IKRMHCWCKBNJKX-UHFFFAOYSA-N 0 0 409.398 4.117 20 5 HIBDRN CSc1ccc(-c2nsc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)cc1 ZINC000430685103 858268407 /nfs/dbraw/zinc/26/84/07/858268407.db2.gz POKGPYXNKPBQJB-UHFFFAOYSA-N 0 0 416.484 4.161 20 5 HIBDRN Cc1ccc(C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c2ccccn2)cc1 ZINC000430714895 858277190 /nfs/dbraw/zinc/27/71/90/858277190.db2.gz NENKSVVAKVOYJA-OAQYLSRUSA-N 0 0 405.454 4.086 20 5 HIBDRN Cc1ccc(C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c2ccccn2)cc1 ZINC000430714892 858277288 /nfs/dbraw/zinc/27/72/88/858277288.db2.gz NENKSVVAKVOYJA-NRFANRHFSA-N 0 0 405.454 4.086 20 5 HIBDRN Cc1cc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1[N+](=O)[O-] ZINC000430796710 858308936 /nfs/dbraw/zinc/30/89/36/858308936.db2.gz LHOQABHJKUHYED-UHFFFAOYSA-N 0 0 404.835 4.093 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000430816373 858314898 /nfs/dbraw/zinc/31/48/98/858314898.db2.gz ZURDRTREQIZNPQ-KRWDZBQOSA-N 0 0 415.449 4.425 20 5 HIBDRN CCCc1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cnn1-c1ccc(F)cc1 ZINC000430840924 858326794 /nfs/dbraw/zinc/32/67/94/858326794.db2.gz UVYABIKHMOYLCK-UHFFFAOYSA-N 0 0 412.421 4.198 20 5 HIBDRN COc1ccccc1CC(C)(C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430928810 858372306 /nfs/dbraw/zinc/37/23/06/858372306.db2.gz VEDDPWPHCYMGSR-UHFFFAOYSA-N 0 0 407.264 4.117 20 5 HIBDRN CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000430927239 858372648 /nfs/dbraw/zinc/37/26/48/858372648.db2.gz QHUFXEWGORHLRT-INIZCTEOSA-N 0 0 418.291 4.098 20 5 HIBDRN COc1ccc(CN2C(=O)[C@@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)cc1[N+](=O)[O-] ZINC000430995745 858397282 /nfs/dbraw/zinc/39/72/82/858397282.db2.gz IEVKTNIKQIDAAZ-MRXNPFEDSA-N 0 0 424.240 4.046 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN1C(=O)[C@H](c2ccc(Cl)c(Cl)c2)N(C)C1=O ZINC000431016900 858405824 /nfs/dbraw/zinc/40/58/24/858405824.db2.gz YTJKSPCTTPAHIX-INIZCTEOSA-N 0 0 424.240 4.046 20 5 HIBDRN O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431023482 858407570 /nfs/dbraw/zinc/40/75/70/858407570.db2.gz MFEAYHIVIYPJJA-UHFFFAOYSA-N 0 0 420.263 4.201 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] ZINC000431085678 858440419 /nfs/dbraw/zinc/44/04/19/858440419.db2.gz RCWRWBSMUWZQBV-NSHDSACASA-N 0 0 401.810 4.489 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccccc1Br ZINC000431132103 858461576 /nfs/dbraw/zinc/46/15/76/858461576.db2.gz IIKCIVKSMYCFRH-GXTWGEPZSA-N 0 0 407.289 4.122 20 5 HIBDRN Cc1c(NC(=O)Cc2cnc3ccccc3c2)cc(Br)cc1[N+](=O)[O-] ZINC000431181188 858491192 /nfs/dbraw/zinc/49/11/92/858491192.db2.gz LCLITKZWWSGRGS-UHFFFAOYSA-N 0 0 400.232 4.395 20 5 HIBDRN CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431182639 858491968 /nfs/dbraw/zinc/49/19/68/858491968.db2.gz OZHCHDKJOYXJID-LBPRGKRZSA-N 0 0 421.247 4.274 20 5 HIBDRN CO[C@H](C)c1nc(C)c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000431183001 858492118 /nfs/dbraw/zinc/49/21/18/858492118.db2.gz WFQKXSWLXKUMAU-SECBINFHSA-N 0 0 414.281 4.390 20 5 HIBDRN Cc1c(NC(=O)c2cnn(-c3ccccc3)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431223494 858515231 /nfs/dbraw/zinc/51/52/31/858515231.db2.gz JQMVJLPYCAMNPT-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)COc2c(Br)cccc2[N+](=O)[O-])cc1C ZINC000431227741 858517842 /nfs/dbraw/zinc/51/78/42/858517842.db2.gz BBFCBGUWCKHNMG-ZDUSSCGKSA-N 0 0 407.264 4.230 20 5 HIBDRN O=C1[C@H]2CCCN2C(=O)N1Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000431234297 858520903 /nfs/dbraw/zinc/52/09/03/858520903.db2.gz UWIXLLCYAFVWCY-OAHLLOKOSA-N 0 0 419.796 4.106 20 5 HIBDRN O=[N+]([O-])c1cccc(Br)c1OCc1nc(COc2ccc(F)cc2)no1 ZINC000431237639 858523108 /nfs/dbraw/zinc/52/31/08/858523108.db2.gz LRXVGKMEHJUELS-UHFFFAOYSA-N 0 0 424.182 4.037 20 5 HIBDRN C[C@H]1CN(c2ccccc2NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000431407714 858600087 /nfs/dbraw/zinc/60/00/87/858600087.db2.gz QJUKKEMACCVLJD-HOTGVXAUSA-N 0 0 412.490 4.265 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000431412807 858602415 /nfs/dbraw/zinc/60/24/15/858602415.db2.gz IABMPIVJXUASFM-OAHLLOKOSA-N 0 0 412.490 4.488 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)c3cc(Br)cc([N+](=O)[O-])c3)o2)cs1 ZINC000431457128 858625899 /nfs/dbraw/zinc/62/58/99/858625899.db2.gz LGXJZHIAPOPALC-UHFFFAOYSA-N 0 0 422.260 4.312 20 5 HIBDRN O=C(Nc1ccc(NC2CCOCC2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431462033 858628620 /nfs/dbraw/zinc/62/86/20/858628620.db2.gz XOSWKTIVYRRSBB-UHFFFAOYSA-N 0 0 420.263 4.201 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000431484453 858639042 /nfs/dbraw/zinc/63/90/42/858639042.db2.gz MDJFOBJTXYCHPX-BONVTDFDSA-N 0 0 411.277 4.021 20 5 HIBDRN CCc1cc(N2CCC(CO)(c3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000431493276 858642757 /nfs/dbraw/zinc/64/27/57/858642757.db2.gz HUTRFBHXWURJIY-UHFFFAOYSA-N 0 0 418.497 4.145 20 5 HIBDRN C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC000431513983 858651300 /nfs/dbraw/zinc/65/13/00/858651300.db2.gz XAUBOFYRTIMKDG-GFCCVEGCSA-N 0 0 415.247 4.034 20 5 HIBDRN COc1cc(CN2C(=O)C[C@@](C)(c3ccc(C(C)C)cc3)C2=O)c([N+](=O)[O-])cc1F ZINC000431558827 858670264 /nfs/dbraw/zinc/67/02/64/858670264.db2.gz QYHTULCGTGPBJB-QFIPXVFZSA-N 0 0 414.433 4.083 20 5 HIBDRN COCCn1nc(C)c(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1C ZINC000431573192 858674311 /nfs/dbraw/zinc/67/43/11/858674311.db2.gz YHUYUNNZDCTJOS-UHFFFAOYSA-N 0 0 409.446 4.050 20 5 HIBDRN CC(C)(NC(=O)NCc1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000431666904 858724821 /nfs/dbraw/zinc/72/48/21/858724821.db2.gz LXHIFKMFSZWPNI-UHFFFAOYSA-N 0 0 410.243 4.231 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC[C@@H]2c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000431713931 858757591 /nfs/dbraw/zinc/75/75/91/858757591.db2.gz DXUCOOFHMZQWGQ-GOSISDBHSA-N 0 0 419.275 4.408 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000431735263 858773396 /nfs/dbraw/zinc/77/33/96/858773396.db2.gz HZCATPGZMDKNQD-SFHVURJKSA-N 0 0 416.909 4.447 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000437732136 863062173 /nfs/dbraw/zinc/06/21/73/863062173.db2.gz YYDUDPKFRNPZEG-HNAYVOBHSA-N 0 0 424.906 4.003 20 5 HIBDRN O=C1[C@@H]2C[C@@H](C3CCCCC3)CN2C(=O)N1CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000431753206 858789154 /nfs/dbraw/zinc/78/91/54/858789154.db2.gz NJGOOZONDKTHPI-QAPCUYQASA-N 0 0 405.882 4.024 20 5 HIBDRN O=C(c1cc(N2CC[C@@H](OCCCc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000431818158 858826228 /nfs/dbraw/zinc/82/62/28/858826228.db2.gz NQKXDOVXLIMWLS-OAQYLSRUSA-N 0 0 423.513 4.059 20 5 HIBDRN CC(C)[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000431859437 858842470 /nfs/dbraw/zinc/84/24/70/858842470.db2.gz GEGIGCPPXMWCBY-HXUWFJFHSA-N 0 0 413.474 4.298 20 5 HIBDRN Cc1ccc(C)n1C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000431945026 858881972 /nfs/dbraw/zinc/88/19/72/858881972.db2.gz ZLOJKBBPUKTAMN-UHFFFAOYSA-N 0 0 406.280 4.253 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000432133516 859008877 /nfs/dbraw/zinc/00/88/77/859008877.db2.gz MYYRIEGOSGLDMZ-INIZCTEOSA-N 0 0 410.861 4.207 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432168657 859028289 /nfs/dbraw/zinc/02/82/89/859028289.db2.gz ZFQKNRBJSVMMLQ-GFCCVEGCSA-N 0 0 405.380 4.279 20 5 HIBDRN O=[N+]([O-])c1cccnc1NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000432170771 859029164 /nfs/dbraw/zinc/02/91/64/859029164.db2.gz VMXPIYWHSWBJEF-UHFFFAOYSA-N 0 0 410.243 4.095 20 5 HIBDRN Cc1nn(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c2ccc([N+](=O)[O-])cc12 ZINC000432252836 859069812 /nfs/dbraw/zinc/06/98/12/859069812.db2.gz KHMCTHOUEVMEED-UHFFFAOYSA-N 0 0 410.764 4.146 20 5 HIBDRN O=C(C[C@@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000432281363 859083406 /nfs/dbraw/zinc/08/34/06/859083406.db2.gz DIHLBTOWDQNAML-KRWDZBQOSA-N 0 0 401.488 4.112 20 5 HIBDRN C[C@@H]1COCC[C@H]1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000432443585 859166324 /nfs/dbraw/zinc/16/63/24/859166324.db2.gz ZBJKORYKZQYDTL-CXAGYDPISA-N 0 0 403.866 4.015 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000432494696 859192699 /nfs/dbraw/zinc/19/26/99/859192699.db2.gz ONMFACGZUITBCT-NRFANRHFSA-N 0 0 409.417 4.319 20 5 HIBDRN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000432542729 859218010 /nfs/dbraw/zinc/21/80/10/859218010.db2.gz WEIJTLXHWVXHOF-CTNGQTDRSA-N 0 0 424.840 4.429 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c1 ZINC000432593399 859244859 /nfs/dbraw/zinc/24/48/59/859244859.db2.gz NJFCGJROBHHOER-OAHLLOKOSA-N 0 0 410.455 4.175 20 5 HIBDRN COc1ccc(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cc1[N+](=O)[O-] ZINC000432595610 859246496 /nfs/dbraw/zinc/24/64/96/859246496.db2.gz XVFJQHJTBKSDHJ-HNNXBMFYSA-N 0 0 410.455 4.175 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H]2CCCc3ccc(F)cc32)c(C)c([N+](=O)[O-])c1 ZINC000432601917 859249371 /nfs/dbraw/zinc/24/93/71/859249371.db2.gz OXHUSGLLIFRRTO-INIZCTEOSA-N 0 0 401.394 4.028 20 5 HIBDRN O=C(NC[C@@H](c1ccccc1)C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000432609251 859254193 /nfs/dbraw/zinc/25/41/93/859254193.db2.gz GNIABMSQHWKAFL-QFIPXVFZSA-N 0 0 409.486 4.341 20 5 HIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000432645960 859271021 /nfs/dbraw/zinc/27/10/21/859271021.db2.gz QXMUCDURVOKCJR-UHFFFAOYSA-N 0 0 412.627 4.221 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000432722931 859319738 /nfs/dbraw/zinc/31/97/38/859319738.db2.gz QGLUJTJLBYBMEB-UHFFFAOYSA-N 0 0 424.432 4.414 20 5 HIBDRN COC(=O)CSCc1cccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000432806351 859368515 /nfs/dbraw/zinc/36/85/15/859368515.db2.gz OTXQPSPQQKRINY-UHFFFAOYSA-N 0 0 417.487 4.058 20 5 HIBDRN C[C@@H](c1cccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1)N1CCOCC1 ZINC000432808139 859369667 /nfs/dbraw/zinc/36/96/67/859369667.db2.gz HZVKNJHRTLTQFI-INIZCTEOSA-N 0 0 412.490 4.045 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CCC(F)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000432842547 859384236 /nfs/dbraw/zinc/38/42/36/859384236.db2.gz ZYVDLYSYBOTNPX-UHFFFAOYSA-N 0 0 408.433 4.025 20 5 HIBDRN COc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)c([N+](=O)[O-])cc1OC ZINC000432852318 859389134 /nfs/dbraw/zinc/38/91/34/859389134.db2.gz FPVIIHFAOIRUJF-INIZCTEOSA-N 0 0 406.385 4.258 20 5 HIBDRN Cc1cnc(C2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000432907822 859423237 /nfs/dbraw/zinc/42/32/37/859423237.db2.gz XHKPZSVKGNMDGE-UHFFFAOYSA-N 0 0 402.520 4.272 20 5 HIBDRN CCc1cc(N2CCC(c3ccnn3CC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000432916696 859429040 /nfs/dbraw/zinc/42/90/40/859429040.db2.gz IZWJZSLCSVUXKP-UHFFFAOYSA-N 0 0 406.490 4.215 20 5 HIBDRN O=C(c1cc2ccccc2s1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000432925998 859433652 /nfs/dbraw/zinc/43/36/52/859433652.db2.gz VCAUFOQQGFPFNF-UHFFFAOYSA-N 0 0 418.478 4.320 20 5 HIBDRN COc1cc(CN2CCC(c3ncc(C)s3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000432942446 859440195 /nfs/dbraw/zinc/44/01/95/859440195.db2.gz AXCHSSZQPDBSHV-UHFFFAOYSA-N 0 0 413.446 4.349 20 5 HIBDRN CCc1cc(NC(=O)c2ncoc2-c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000433000236 859471654 /nfs/dbraw/zinc/47/16/54/859471654.db2.gz ODRNLASNLHMFLQ-UHFFFAOYSA-N 0 0 406.373 4.174 20 5 HIBDRN COc1ccc(NC(=O)CN2CC[C@H](C(F)(F)F)c3ccccc32)c([N+](=O)[O-])c1 ZINC000433014412 859478526 /nfs/dbraw/zinc/47/85/26/859478526.db2.gz DRUZMRURTLOALO-AWEZNQCLSA-N 0 0 409.364 4.098 20 5 HIBDRN COc1ccccc1-c1noc(C2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC000433141000 859537872 /nfs/dbraw/zinc/53/78/72/859537872.db2.gz LKDQFPPJWDXOKF-UHFFFAOYSA-N 0 0 412.421 4.172 20 5 HIBDRN COc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1Br ZINC000433159921 859545960 /nfs/dbraw/zinc/54/59/60/859545960.db2.gz SWMAWPBAHPAGOT-UHFFFAOYSA-N 0 0 408.252 4.423 20 5 HIBDRN CC(C)n1cnnc1CN(C)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000433169624 859551894 /nfs/dbraw/zinc/55/18/94/859551894.db2.gz SECUIQSPJQTPMV-UHFFFAOYSA-N 0 0 410.434 4.223 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1cccc(O)c1)CC1CC1 ZINC000433224611 859576851 /nfs/dbraw/zinc/57/68/51/859576851.db2.gz BFICFHRXTCCSHR-UHFFFAOYSA-N 0 0 405.248 4.115 20 5 HIBDRN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000433271765 859606612 /nfs/dbraw/zinc/60/66/12/859606612.db2.gz NTUNPCWYMKKGNG-GCJKJVERSA-N 0 0 411.502 4.268 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000433332064 859648414 /nfs/dbraw/zinc/64/84/14/859648414.db2.gz RPXMVVOGTLWEEK-UHFFFAOYSA-N 0 0 421.544 4.183 20 5 HIBDRN O=[N+]([O-])c1cc(F)cc(OCc2noc(Cc3ccc(Br)cc3)n2)c1 ZINC000433427003 859695643 /nfs/dbraw/zinc/69/56/43/859695643.db2.gz GLCYNANHNCWEHA-UHFFFAOYSA-N 0 0 408.183 4.049 20 5 HIBDRN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000433574536 859787577 /nfs/dbraw/zinc/78/75/77/859787577.db2.gz OLVTYAFVSTVNNV-XIKOKIGWSA-N 0 0 424.375 4.000 20 5 HIBDRN CC(C)(c1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1)C(F)(F)F ZINC000433597896 859802348 /nfs/dbraw/zinc/80/23/48/859802348.db2.gz BGPQEUQRTWXQEJ-UHFFFAOYSA-N 0 0 421.419 4.397 20 5 HIBDRN C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000433621415 859814130 /nfs/dbraw/zinc/81/41/30/859814130.db2.gz ISBWQWQTOQSTTR-SNVBAGLBSA-N 0 0 415.298 4.429 20 5 HIBDRN Cc1c(Br)ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1F ZINC000433750089 859874776 /nfs/dbraw/zinc/87/47/76/859874776.db2.gz RVOXJCQOYMWICS-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000433760553 859880719 /nfs/dbraw/zinc/88/07/19/859880719.db2.gz ULNUIKMMHCQOLS-UHFFFAOYSA-N 0 0 419.869 4.062 20 5 HIBDRN O=C([C@@H]1C[C@@H]1C1CC1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000433857583 859938402 /nfs/dbraw/zinc/93/84/02/859938402.db2.gz FEXCRTLQNUUPEN-RTBURBONSA-N 0 0 411.527 4.014 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CCCc2sccc21)c1ccccc1[N+](=O)[O-] ZINC000433871659 859944451 /nfs/dbraw/zinc/94/44/51/859944451.db2.gz DSQIJIYTACGCDM-RDJZCZTQSA-N 0 0 416.499 4.275 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1[N+](=O)[O-] ZINC000433872654 859945192 /nfs/dbraw/zinc/94/51/92/859945192.db2.gz MLDCRSNVLMXGNY-UHFFFAOYSA-N 0 0 411.384 4.313 20 5 HIBDRN CC(C)(C)OC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000433872733 859945628 /nfs/dbraw/zinc/94/56/28/859945628.db2.gz AMSIQKODJNFKCD-UHFFFAOYSA-N 0 0 400.431 4.234 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000433954534 860000388 /nfs/dbraw/zinc/00/03/88/860000388.db2.gz USKAZHIUXJYLGF-GOSISDBHSA-N 0 0 415.515 4.422 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000433973562 860010602 /nfs/dbraw/zinc/01/06/02/860010602.db2.gz XZBWFGATZFUAFA-HNNXBMFYSA-N 0 0 414.531 4.014 20 5 HIBDRN Cc1nc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])sc1Cc1ccc(F)cc1 ZINC000433986578 860017823 /nfs/dbraw/zinc/01/78/23/860017823.db2.gz VVLOJVXEPIBPBF-UHFFFAOYSA-N 0 0 403.439 4.188 20 5 HIBDRN COc1ccc(C2(CNC(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])CCCCC2)cc1 ZINC000433985701 860017918 /nfs/dbraw/zinc/01/79/18/860017918.db2.gz OLOREOZIXRYEDJ-UHFFFAOYSA-N 0 0 400.479 4.082 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC(F)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000434052035 860066393 /nfs/dbraw/zinc/06/63/93/860066393.db2.gz IBVJUSWKIYDWHW-UHFFFAOYSA-N 0 0 418.490 4.324 20 5 HIBDRN CCOc1ccc2c(c1)CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000434091314 860096602 /nfs/dbraw/zinc/09/66/02/860096602.db2.gz WYDNPSIFGODAJP-UHFFFAOYSA-N 0 0 404.850 4.001 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(OCC2CCCC2)CC1 ZINC000434130244 860128939 /nfs/dbraw/zinc/12/89/39/860128939.db2.gz BVXPTKLLEPPPAN-UHFFFAOYSA-N 0 0 411.296 4.169 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(OCC2CCCC2)CC1 ZINC000434148846 860146318 /nfs/dbraw/zinc/14/63/18/860146318.db2.gz VHQTWNHLKVQSBU-UHFFFAOYSA-N 0 0 401.507 4.006 20 5 HIBDRN O=C(Cc1cc(Br)ccc1F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000434155280 860150713 /nfs/dbraw/zinc/15/07/13/860150713.db2.gz SKKBOSWENSYEFM-UHFFFAOYSA-N 0 0 407.239 4.230 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(OCC2CCCC2)CC1 ZINC000434161140 860156257 /nfs/dbraw/zinc/15/62/57/860156257.db2.gz COWZIFRBYXDYFJ-UHFFFAOYSA-N 0 0 410.898 4.215 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)c1[N+](=O)[O-] ZINC000434187675 860177172 /nfs/dbraw/zinc/17/71/72/860177172.db2.gz SQSRCPXPYCEDCQ-OAHLLOKOSA-N 0 0 421.295 4.475 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)c1[N+](=O)[O-] ZINC000434227300 860212345 /nfs/dbraw/zinc/21/23/45/860212345.db2.gz IGUMTALRPSCWAR-INIZCTEOSA-N 0 0 412.421 4.131 20 5 HIBDRN Cc1cccc(Oc2cc(CNC(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])ccn2)c1C ZINC000434236821 860219557 /nfs/dbraw/zinc/21/95/57/860219557.db2.gz MOBRDOCPVKLLGU-UHFFFAOYSA-N 0 0 409.446 4.175 20 5 HIBDRN O=C(C[C@@H]1CCCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000434254392 860232755 /nfs/dbraw/zinc/23/27/55/860232755.db2.gz CMOICZGCSNINCL-HNNXBMFYSA-N 0 0 404.850 4.428 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000434325850 860287214 /nfs/dbraw/zinc/28/72/14/860287214.db2.gz KCPSWRAIPPHBLF-UGSOOPFHSA-N 0 0 424.375 4.163 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000434325845 860287755 /nfs/dbraw/zinc/28/77/55/860287755.db2.gz KCPSWRAIPPHBLF-ACJLOTCBSA-N 0 0 424.375 4.163 20 5 HIBDRN C[C@@H](CO)NC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc([N+](=O)[O-])cc1 ZINC000434648146 860445531 /nfs/dbraw/zinc/44/55/31/860445531.db2.gz YTVWDEPKNIZYJX-XOAFGZPJSA-N 0 0 417.465 4.131 20 5 HIBDRN O=C(c1cc(F)ccc1F)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000434832003 860511233 /nfs/dbraw/zinc/51/12/33/860511233.db2.gz PYTWIGLKYUGVKW-UHFFFAOYSA-N 0 0 401.369 4.109 20 5 HIBDRN COc1cc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c(C)c1OC ZINC000434902435 860547006 /nfs/dbraw/zinc/54/70/06/860547006.db2.gz CYNMKUJEAXNZBM-CYBMUJFWSA-N 0 0 403.435 4.120 20 5 HIBDRN CC[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000434944188 860567775 /nfs/dbraw/zinc/56/77/75/860567775.db2.gz URSWKZCCGRTHTQ-MRXNPFEDSA-N 0 0 418.881 4.208 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435129544 860654554 /nfs/dbraw/zinc/65/45/54/860654554.db2.gz MWNHSVMGYSXNBD-JTQLQIEISA-N 0 0 400.382 4.482 20 5 HIBDRN Cc1c(NC(=O)N2CC(C)(C)OC(C)(C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435322495 860734284 /nfs/dbraw/zinc/73/42/84/860734284.db2.gz DFMMDLJJIIJTSA-UHFFFAOYSA-N 0 0 400.273 4.087 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000435326778 860738031 /nfs/dbraw/zinc/73/80/31/860738031.db2.gz DUTLFJFQEKNJTN-UHFFFAOYSA-N 0 0 407.224 4.268 20 5 HIBDRN Cc1c(NC(=O)NCCC[C@@H]2CCCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000435327371 860738449 /nfs/dbraw/zinc/73/84/49/860738449.db2.gz GXNAHZWGMZBPNK-ZDUSSCGKSA-N 0 0 400.273 4.137 20 5 HIBDRN Cc1c(NC(=O)N2CCO[C@H](c3ccccc3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435328714 860739940 /nfs/dbraw/zinc/73/99/40/860739940.db2.gz MMFRNAKKUORHNX-KRWDZBQOSA-N 0 0 420.263 4.271 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@H]2c2cccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000435334254 860744793 /nfs/dbraw/zinc/74/47/93/860744793.db2.gz YACGAFCXPXNFCI-HNNXBMFYSA-N 0 0 407.268 4.373 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435353283 860753888 /nfs/dbraw/zinc/75/38/88/860753888.db2.gz GCPINQMJSFSBOT-ZDUSSCGKSA-N 0 0 413.421 4.409 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000435369626 860766858 /nfs/dbraw/zinc/76/68/58/860766858.db2.gz FXOSYBCKLNHHHI-ZDUSSCGKSA-N 0 0 400.822 4.148 20 5 HIBDRN CNC(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 ZINC000435446686 860801486 /nfs/dbraw/zinc/80/14/86/860801486.db2.gz LONYSLHGIFNDLN-UHFFFAOYSA-N 0 0 413.480 4.419 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Br)c(Cl)c1F ZINC000435532439 860848770 /nfs/dbraw/zinc/84/87/70/860848770.db2.gz FHCHPYFUZCZPOK-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN COc1cccc(C(=O)Nc2ccnn2Cc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000435543902 860858485 /nfs/dbraw/zinc/85/84/85/860858485.db2.gz NDVIXDBEUQVDGE-UHFFFAOYSA-N 0 0 402.410 4.254 20 5 HIBDRN CCOc1ccc(Oc2cc(CNC(=O)c3cccc(OC)c3[N+](=O)[O-])ccn2)cc1 ZINC000435564862 860885713 /nfs/dbraw/zinc/88/57/13/860885713.db2.gz QLYSTJRKAOCRKH-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])cn1 ZINC000435570746 860890989 /nfs/dbraw/zinc/89/09/89/860890989.db2.gz YMTZWKMIBGJJTG-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000435637991 860928315 /nfs/dbraw/zinc/92/83/15/860928315.db2.gz OZBZHRWHWNWBNT-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1[N+](=O)[O-] ZINC000435669405 860948564 /nfs/dbraw/zinc/94/85/64/860948564.db2.gz LRJSGMKUANCKBM-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN Cc1cccc(CN(Cc2ccccn2)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000435674540 860954054 /nfs/dbraw/zinc/95/40/54/860954054.db2.gz GZZSRXIEDFHRNJ-UHFFFAOYSA-N 0 0 405.454 4.214 20 5 HIBDRN COc1cc(N2CCO[C@H](c3cccc(Br)c3)C2)c([N+](=O)[O-])cc1F ZINC000467780613 881602453 /nfs/dbraw/zinc/60/24/53/881602453.db2.gz SGWGOUBVULTJBE-KRWDZBQOSA-N 0 0 411.227 4.083 20 5 HIBDRN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435813092 861079188 /nfs/dbraw/zinc/07/91/88/861079188.db2.gz DCHKXCZMAZRZGR-OAQYLSRUSA-N 0 0 417.534 4.310 20 5 HIBDRN Cc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccc1O ZINC000435816047 861080628 /nfs/dbraw/zinc/08/06/28/861080628.db2.gz BGNSIKQOTZEMOY-UHFFFAOYSA-N 0 0 423.391 4.483 20 5 HIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(Br)c(Cl)c1F ZINC000435817303 861081881 /nfs/dbraw/zinc/08/18/81/861081881.db2.gz NITANNWNBKYYMO-UHFFFAOYSA-N 0 0 424.613 4.950 20 5 HIBDRN O=C(N[C@@H]1CCc2ccccc2C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435817589 861082280 /nfs/dbraw/zinc/08/22/80/861082280.db2.gz JGSPQUQURUBCIK-MRXNPFEDSA-N 0 0 404.416 4.247 20 5 HIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000435829856 861094155 /nfs/dbraw/zinc/09/41/55/861094155.db2.gz ZMPGCAALWHVUPE-UHFFFAOYSA-N 0 0 411.355 4.013 20 5 HIBDRN CN(CCOc1ccccc1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435837266 861099013 /nfs/dbraw/zinc/09/90/13/861099013.db2.gz UMDOWPDKGCCNNO-UHFFFAOYSA-N 0 0 408.404 4.111 20 5 HIBDRN C[C@H](CO)N(CC1CCC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000435844273 861105513 /nfs/dbraw/zinc/10/55/13/861105513.db2.gz IECRXTYQYJTZAH-OAHLLOKOSA-N 0 0 400.500 4.369 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c1[N+](=O)[O-] ZINC000435881934 861140875 /nfs/dbraw/zinc/14/08/75/861140875.db2.gz RBYZHQBCGHTDDN-LJAQVGFWSA-N 0 0 416.499 4.437 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)c1C ZINC000467796282 881621357 /nfs/dbraw/zinc/62/13/57/881621357.db2.gz PZOVMQHBFFOVJU-MRXNPFEDSA-N 0 0 411.483 4.313 20 5 HIBDRN Cc1nc(C)n(Cc2cccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c2)n1 ZINC000437756137 863077928 /nfs/dbraw/zinc/07/79/28/863077928.db2.gz UJVYOFRFBZAHOE-UHFFFAOYSA-N 0 0 420.473 4.048 20 5 HIBDRN Cc1c(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cnn1-c1ccccc1F ZINC000437800222 863121391 /nfs/dbraw/zinc/12/13/91/863121391.db2.gz MMIAAHAUXQBLRY-UHFFFAOYSA-N 0 0 409.421 4.425 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000437836892 863190931 /nfs/dbraw/zinc/19/09/31/863190931.db2.gz IKXJWLRDDKNBNS-IUODEOHRSA-N 0 0 415.318 4.247 20 5 HIBDRN COc1c(Cl)cccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000437839659 863194067 /nfs/dbraw/zinc/19/40/67/863194067.db2.gz VDCXCWOHFYDMBW-UHFFFAOYSA-N 0 0 405.838 4.332 20 5 HIBDRN CC[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc2c(c1)OCCO2 ZINC000438001040 863362869 /nfs/dbraw/zinc/36/28/69/863362869.db2.gz MTNGIADOOFOALI-GOSISDBHSA-N 0 0 411.458 4.191 20 5 HIBDRN O=C(NCc1cccc(OCC(F)F)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438030453 863390748 /nfs/dbraw/zinc/39/07/48/863390748.db2.gz XHKYCBUIHXINJL-UHFFFAOYSA-N 0 0 405.401 4.113 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000467838802 881676216 /nfs/dbraw/zinc/67/62/16/881676216.db2.gz KSPVTJACGLHSAT-UHFFFAOYSA-N 0 0 421.295 4.224 20 5 HIBDRN O=C(NC1CCC2(CCOCC2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000438464823 863887461 /nfs/dbraw/zinc/88/74/61/863887461.db2.gz IHSNJRODBDEQFM-UHFFFAOYSA-N 0 0 401.488 4.188 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1SC ZINC000438466712 863888615 /nfs/dbraw/zinc/88/86/15/863888615.db2.gz NYPVJEKUCPDGRV-GHMZBOCLSA-N 0 0 406.426 4.424 20 5 HIBDRN C[C@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000467858650 881709141 /nfs/dbraw/zinc/70/91/41/881709141.db2.gz KYROJFSWFBEGOW-AOMKIAJQSA-N 0 0 410.495 4.439 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000467858114 881709181 /nfs/dbraw/zinc/70/91/81/881709181.db2.gz FZXNTGNRHJPOOK-UHFFFAOYSA-N 0 0 418.183 4.094 20 5 HIBDRN O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1Cc1ccccc1 ZINC000438515034 863939862 /nfs/dbraw/zinc/93/98/62/863939862.db2.gz GHWYRBJNWBITMB-UHFFFAOYSA-N 0 0 401.466 4.182 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)CN3CCc4ccc([N+](=O)[O-])cc4C3)c2)cs1 ZINC000438522749 863948224 /nfs/dbraw/zinc/94/82/24/863948224.db2.gz IBALZCTUZOMPOW-UHFFFAOYSA-N 0 0 408.483 4.024 20 5 HIBDRN COc1ccc(CC(C)(C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000438531982 863957770 /nfs/dbraw/zinc/95/77/70/863957770.db2.gz JJCRAFAZNJIXHT-CYBMUJFWSA-N 0 0 406.866 4.162 20 5 HIBDRN CC1(C)CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[C@H]1O ZINC000438538864 863966224 /nfs/dbraw/zinc/96/62/24/863966224.db2.gz WPFQXXOEZJZPOU-GOSISDBHSA-N 0 0 404.850 4.274 20 5 HIBDRN Cc1c(CC(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)cccc1[N+](=O)[O-] ZINC000438627386 864056108 /nfs/dbraw/zinc/05/61/08/864056108.db2.gz MOJMBZPBAJVHOH-KRWDZBQOSA-N 0 0 419.275 4.190 20 5 HIBDRN Cc1cc(C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)ccc1[N+](=O)[O-] ZINC000438644703 864082865 /nfs/dbraw/zinc/08/28/65/864082865.db2.gz WQAYLVLBVOVURD-MRXNPFEDSA-N 0 0 405.248 4.262 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C(F)(F)F ZINC000438653289 864094543 /nfs/dbraw/zinc/09/45/43/864094543.db2.gz DUYCYHCCOLKJNS-UHFFFAOYSA-N 0 0 423.391 4.298 20 5 HIBDRN CCCCOc1ccccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000438656491 864100215 /nfs/dbraw/zinc/10/02/15/864100215.db2.gz OIHKGZKZGDYQNX-UHFFFAOYSA-N 0 0 413.474 4.149 20 5 HIBDRN O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438669939 864129780 /nfs/dbraw/zinc/12/97/80/864129780.db2.gz BNHCIORPRCDCDW-PZJWPPBQSA-N 0 0 407.514 4.339 20 5 HIBDRN CC(C)CCOc1cccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000438756829 864250962 /nfs/dbraw/zinc/25/09/62/864250962.db2.gz QQJLLKSCHOLDAB-UHFFFAOYSA-N 0 0 405.838 4.250 20 5 HIBDRN Cc1cc2cc(NS(=O)(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000438800791 864292809 /nfs/dbraw/zinc/29/28/09/864292809.db2.gz OONGRHNLPIIXDE-UHFFFAOYSA-N 0 0 424.276 4.256 20 5 HIBDRN O=[N+]([O-])c1cnn(C[C@H](O)Cn2c3ccccc3nc2-c2cccc3ccccc32)c1 ZINC000438818194 864310103 /nfs/dbraw/zinc/31/01/03/864310103.db2.gz IKJGGTOWLYTGCW-SFHVURJKSA-N 0 0 413.437 4.022 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2ncn(C[C@H](O)Cn3c4ccccc4c4ccccc43)n2)c1 ZINC000438819231 864312180 /nfs/dbraw/zinc/31/21/80/864312180.db2.gz LIAIRFWETYJFLR-SFHVURJKSA-N 0 0 413.437 4.022 20 5 HIBDRN CCSc1nccnc1-c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000438925066 864404853 /nfs/dbraw/zinc/40/48/53/864404853.db2.gz ITAWDWZSBCOOOF-UHFFFAOYSA-N 0 0 412.456 4.337 20 5 HIBDRN Cc1ccc2c(CCNC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c[nH]c2c1 ZINC000438929299 864409445 /nfs/dbraw/zinc/40/94/45/864409445.db2.gz JWFREAXZHNHUFF-UHFFFAOYSA-N 0 0 416.275 4.048 20 5 HIBDRN C[C@H]1C[C@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CO1 ZINC000438969402 864435515 /nfs/dbraw/zinc/43/55/15/864435515.db2.gz RVPRACIIYFHDBN-AAEUAGOBSA-N 0 0 408.813 4.221 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000438971614 864436623 /nfs/dbraw/zinc/43/66/23/864436623.db2.gz VGQMQOZIXYNPHK-CYBMUJFWSA-N 0 0 402.447 4.235 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)n2)cc1OC ZINC000438994362 864453392 /nfs/dbraw/zinc/45/33/92/864453392.db2.gz YPXVTQLPKQYELD-UHFFFAOYSA-N 0 0 413.455 4.225 20 5 HIBDRN CC(=O)Nc1nc2ccc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])cc2s1 ZINC000439097307 864538291 /nfs/dbraw/zinc/53/82/91/864538291.db2.gz FAFPNGAWZLYADH-UHFFFAOYSA-N 0 0 404.835 4.377 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000439106513 864544696 /nfs/dbraw/zinc/54/46/96/864544696.db2.gz HTDPIVHADZDCPR-UHFFFAOYSA-N 0 0 415.877 4.364 20 5 HIBDRN COc1cc(OCC(=O)N(C)c2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] ZINC000439124680 864559959 /nfs/dbraw/zinc/55/99/59/864559959.db2.gz QDSFBHFSETVDHZ-UHFFFAOYSA-N 0 0 418.755 4.317 20 5 HIBDRN Cc1c(CC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000439125667 864561525 /nfs/dbraw/zinc/56/15/25/864561525.db2.gz WCUXBEULLNHOEI-INIZCTEOSA-N 0 0 404.850 4.296 20 5 HIBDRN NC(=O)c1cccc(NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1[N+](=O)[O-] ZINC000439129589 864564399 /nfs/dbraw/zinc/56/43/99/864564399.db2.gz QSILOUSIYLHVOV-GOSISDBHSA-N 0 0 400.438 4.419 20 5 HIBDRN CCN(CC)C(=O)Cc1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000439140309 864574165 /nfs/dbraw/zinc/57/41/65/864574165.db2.gz YXLSDTXGOHCFNO-UHFFFAOYSA-N 0 0 403.866 4.220 20 5 HIBDRN O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000439145517 864577754 /nfs/dbraw/zinc/57/77/54/864577754.db2.gz DXVFWPXWMKETOE-UHFFFAOYSA-N 0 0 420.387 4.401 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000439152518 864584709 /nfs/dbraw/zinc/58/47/09/864584709.db2.gz MOOUVYVHVCKMDA-SNVBAGLBSA-N 0 0 404.785 4.237 20 5 HIBDRN Cc1ccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(OC[C@H]2CCOC2)c1 ZINC000439161524 864592118 /nfs/dbraw/zinc/59/21/18/864592118.db2.gz OFWMKFRSJGRRBT-HNNXBMFYSA-N 0 0 418.877 4.210 20 5 HIBDRN Cc1ccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(OC[C@@H]2CCOC2)c1 ZINC000439161525 864592466 /nfs/dbraw/zinc/59/24/66/864592466.db2.gz OFWMKFRSJGRRBT-OAHLLOKOSA-N 0 0 418.877 4.210 20 5 HIBDRN Cc1cc(O)c(C(C)C)cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000439233003 864649113 /nfs/dbraw/zinc/64/91/13/864649113.db2.gz CIBJYPXFXBHZGI-UHFFFAOYSA-N 0 0 413.430 4.059 20 5 HIBDRN CC(=O)c1cccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000439236709 864654103 /nfs/dbraw/zinc/65/41/03/864654103.db2.gz NGNFJMJSXXWNHX-UHFFFAOYSA-N 0 0 410.451 4.193 20 5 HIBDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000439241628 864658923 /nfs/dbraw/zinc/65/89/23/864658923.db2.gz ZIYBAFPGOPKZFC-HXUWFJFHSA-N 0 0 423.416 4.391 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)N(C(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000439250442 864666714 /nfs/dbraw/zinc/66/67/14/864666714.db2.gz VSYXPRXOEOKNKT-UHFFFAOYSA-N 0 0 405.314 4.007 20 5 HIBDRN Cc1c(CC(=O)Nc2cc(Br)ccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000439289450 864710887 /nfs/dbraw/zinc/71/08/87/864710887.db2.gz LMOXRUSJUMYQMP-UHFFFAOYSA-N 0 0 418.291 4.447 20 5 HIBDRN CC(C)(C)C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000439312215 864745198 /nfs/dbraw/zinc/74/51/98/864745198.db2.gz AGRQRNJADOJWMY-SFHVURJKSA-N 0 0 417.893 4.272 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000439440877 864833163 /nfs/dbraw/zinc/83/31/63/864833163.db2.gz RBWQBYVEFMQFQH-PXAZEXFGSA-N 0 0 405.380 4.480 20 5 HIBDRN CC[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])Oc1ccccc1C(F)(F)F ZINC000439650936 864976435 /nfs/dbraw/zinc/97/64/35/864976435.db2.gz RDNOBVZCLBSXIK-GFCCVEGCSA-N 0 0 412.364 4.210 20 5 HIBDRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467982977 881832954 /nfs/dbraw/zinc/83/29/54/881832954.db2.gz YCZWVWDJBJFMNJ-QGZVFWFLSA-N 0 0 424.501 4.282 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1-c1ccccc1 ZINC000467978200 881831283 /nfs/dbraw/zinc/83/12/83/881831283.db2.gz GXKRKTPWNXCVRQ-UHFFFAOYSA-N 0 0 423.856 4.213 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000467984332 881833627 /nfs/dbraw/zinc/83/36/27/881833627.db2.gz OSZAIBBTFQPQJV-HNNXBMFYSA-N 0 0 401.772 4.394 20 5 HIBDRN Cc1coc(-c2cccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)c2)n1 ZINC000467986487 881834803 /nfs/dbraw/zinc/83/48/03/881834803.db2.gz WFEFCGVTPIKMAG-UHFFFAOYSA-N 0 0 406.442 4.413 20 5 HIBDRN CCOCCOc1ccc(Cl)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467993961 881839015 /nfs/dbraw/zinc/83/90/15/881839015.db2.gz MXDXGFVKTHNRDK-UHFFFAOYSA-N 0 0 407.854 4.028 20 5 HIBDRN Cc1c(CC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000439861552 865169586 /nfs/dbraw/zinc/16/95/86/865169586.db2.gz XHHCJPVCIIFAGI-MRXNPFEDSA-N 0 0 411.483 4.268 20 5 HIBDRN CCCOc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)cc1Cl ZINC000439863779 865171408 /nfs/dbraw/zinc/17/14/08/865171408.db2.gz ZWZDFBQUBDLSKI-UHFFFAOYSA-N 0 0 421.837 4.013 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000439868379 865175174 /nfs/dbraw/zinc/17/51/74/865175174.db2.gz XFIDVHXNEXIDKY-UHFFFAOYSA-N 0 0 417.809 4.019 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1 ZINC000439880135 865192458 /nfs/dbraw/zinc/19/24/58/865192458.db2.gz JBHTUHFARUDGOD-ZDUSSCGKSA-N 0 0 403.435 4.284 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000439914324 865222003 /nfs/dbraw/zinc/22/20/03/865222003.db2.gz NEVPKXOHSXWMIX-CRAIPNDOSA-N 0 0 423.828 4.438 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000439927739 865230730 /nfs/dbraw/zinc/23/07/30/865230730.db2.gz JHGJTCUINRUVTF-UHFFFAOYSA-N 0 0 415.446 4.207 20 5 HIBDRN CSc1ccc(-c2nsc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000439930264 865232315 /nfs/dbraw/zinc/23/23/15/865232315.db2.gz DLPDTBBECOEKNW-UHFFFAOYSA-N 0 0 400.485 4.325 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000439932606 865233094 /nfs/dbraw/zinc/23/30/94/865233094.db2.gz OPIAIMOEDKDPIZ-UHFFFAOYSA-N 0 0 412.446 4.054 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000439932972 865233493 /nfs/dbraw/zinc/23/34/93/865233493.db2.gz OVQGTDMTWJHAIB-UHFFFAOYSA-N 0 0 417.437 4.346 20 5 HIBDRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000468015860 881854246 /nfs/dbraw/zinc/85/42/46/881854246.db2.gz GLUZHKXDZKKVSO-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN O=C(N[C@H](CO)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000439951754 865244627 /nfs/dbraw/zinc/24/46/27/865244627.db2.gz BBJDETZRVDXEJO-SFHVURJKSA-N 0 0 414.527 4.211 20 5 HIBDRN O=C(NC1(CO)CCCC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000468015747 881854369 /nfs/dbraw/zinc/85/43/69/881854369.db2.gz DXYOIUYENYPFFS-UHFFFAOYSA-N 0 0 406.891 4.434 20 5 HIBDRN CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000440013120 865310074 /nfs/dbraw/zinc/31/00/74/865310074.db2.gz MLQZKYZDZCLJPJ-QAQDUYKDSA-N 0 0 417.893 4.236 20 5 HIBDRN C[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000440132226 865373170 /nfs/dbraw/zinc/37/31/70/865373170.db2.gz LMBOQHOLPOXEOE-OLZOCXBDSA-N 0 0 419.528 4.298 20 5 HIBDRN O=C(CNC1(c2ccc(F)cc2)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000440287830 865538838 /nfs/dbraw/zinc/53/88/38/865538838.db2.gz BOGBTKOCYUCPGK-UHFFFAOYSA-N 0 0 412.446 4.075 20 5 HIBDRN Cc1ccccc1COc1cccc(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000440313419 865582210 /nfs/dbraw/zinc/58/22/10/865582210.db2.gz GTPUYMNYXNSNFM-UHFFFAOYSA-N 0 0 419.437 4.368 20 5 HIBDRN O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000440336055 865614418 /nfs/dbraw/zinc/61/44/18/865614418.db2.gz DBUFSKKNINBQFP-UPVQGACJSA-N 0 0 406.482 4.259 20 5 HIBDRN Cc1cc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])ccc1C(N)=O ZINC000440464568 865768966 /nfs/dbraw/zinc/76/89/66/865768966.db2.gz IICMYQISNYPKMB-UHFFFAOYSA-N 0 0 407.451 4.406 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1 ZINC000468097700 881905414 /nfs/dbraw/zinc/90/54/14/881905414.db2.gz SZWWHKCMOWERNJ-UHFFFAOYSA-N 0 0 412.339 4.223 20 5 HIBDRN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440499997 865797584 /nfs/dbraw/zinc/79/75/84/865797584.db2.gz OCFAYAGCWXXZRH-YESZJQIVSA-N 0 0 411.506 4.017 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)ncn4C)cc2[N+](=O)[O-])C1 ZINC000440533438 865807208 /nfs/dbraw/zinc/80/72/08/865807208.db2.gz JEBCTANSXPAKMZ-GJZGRUSLSA-N 0 0 407.474 4.216 20 5 HIBDRN CC(C)(C)OC(=O)CCSCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000440593718 865828346 /nfs/dbraw/zinc/82/83/46/865828346.db2.gz AALMGAOHYYEFHR-UHFFFAOYSA-N 0 0 423.516 4.122 20 5 HIBDRN C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000440596320 865829731 /nfs/dbraw/zinc/82/97/31/865829731.db2.gz JZYNHHFABYMZRN-CQSZACIVSA-N 0 0 414.849 4.080 20 5 HIBDRN O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440599215 865830765 /nfs/dbraw/zinc/83/07/65/865830765.db2.gz UBUMXNVKBUZFJV-FQEVSTJZSA-N 0 0 419.412 4.393 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc2c1OCCO2 ZINC000440600215 865831807 /nfs/dbraw/zinc/83/18/07/865831807.db2.gz ICDDJWWMLLYUAM-UHFFFAOYSA-N 0 0 420.421 4.222 20 5 HIBDRN CN(C)C(=O)c1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000440606078 865834750 /nfs/dbraw/zinc/83/47/50/865834750.db2.gz RALWDRHAWBORDO-UHFFFAOYSA-N 0 0 403.438 4.144 20 5 HIBDRN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000440613842 865838913 /nfs/dbraw/zinc/83/89/13/865838913.db2.gz SDTFVRBLPYZJMK-GOSISDBHSA-N 0 0 422.488 4.218 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440615966 865840917 /nfs/dbraw/zinc/84/09/17/865840917.db2.gz RCNDMKWYVPOPTA-INIZCTEOSA-N 0 0 406.486 4.357 20 5 HIBDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000440620079 865843463 /nfs/dbraw/zinc/84/34/63/865843463.db2.gz OUHXNXFUWFYQGD-UHFFFAOYSA-N 0 0 408.414 4.966 20 5 HIBDRN O=C(Nc1cnn(CC(F)F)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440622181 865844142 /nfs/dbraw/zinc/84/41/42/865844142.db2.gz SIYSDMKXRVGRBA-UHFFFAOYSA-N 0 0 404.398 4.460 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440624675 865845053 /nfs/dbraw/zinc/84/50/53/865845053.db2.gz MPKZCNMHFYBYJR-CQSZACIVSA-N 0 0 424.526 4.457 20 5 HIBDRN CSC1(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000440625587 865845818 /nfs/dbraw/zinc/84/58/18/865845818.db2.gz PEHIVEPEQLUOEJ-UHFFFAOYSA-N 0 0 418.540 4.388 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)ccc1OC1CCCC1 ZINC000440626964 865846680 /nfs/dbraw/zinc/84/66/80/865846680.db2.gz PCEYKBVDECTXLO-UHFFFAOYSA-N 0 0 407.426 4.725 20 5 HIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000440628886 865847435 /nfs/dbraw/zinc/84/74/35/865847435.db2.gz YUFIQIZMKBKLDS-UHFFFAOYSA-N 0 0 417.400 4.209 20 5 HIBDRN CCOc1cc(C(=O)NC[C@@H](CC)Oc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000440634279 865850384 /nfs/dbraw/zinc/85/03/84/865850384.db2.gz GDQCGZBXOSKEDA-CQSZACIVSA-N 0 0 422.865 4.243 20 5 HIBDRN COCc1nc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)c(-c2ccccc2)s1 ZINC000440663817 865860010 /nfs/dbraw/zinc/86/00/10/865860010.db2.gz OHJXRFNNNVKMJU-UHFFFAOYSA-N 0 0 406.467 5.025 20 5 HIBDRN COCc1nc(CNc2nc3ccccc3cc2[N+](=O)[O-])c(-c2ccccc2)s1 ZINC000440664513 865860272 /nfs/dbraw/zinc/86/02/72/865860272.db2.gz PUZLEJWVNOTXNO-UHFFFAOYSA-N 0 0 406.467 5.025 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(CC(F)F)c1cccc(Cl)c1 ZINC000440680437 865863599 /nfs/dbraw/zinc/86/35/99/865863599.db2.gz IBGPROYITCXCBY-UHFFFAOYSA-N 0 0 406.776 4.346 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(Cc1ccsc1)c1cccnc1 ZINC000440731671 865879364 /nfs/dbraw/zinc/87/93/64/865879364.db2.gz SPAFTENLZVFYJA-UHFFFAOYSA-N 0 0 405.382 4.500 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000468105616 881918640 /nfs/dbraw/zinc/91/86/40/881918640.db2.gz BVZPQPTVVDYBCH-UHFFFAOYSA-N 0 0 420.473 4.151 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)c([N+](=O)[O-])cc1OC ZINC000440816158 865932655 /nfs/dbraw/zinc/93/26/55/865932655.db2.gz LIIOGJYJKXEIDE-UHFFFAOYSA-N 0 0 424.413 4.145 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000440865875 865964719 /nfs/dbraw/zinc/96/47/19/865964719.db2.gz IRGRLQWJQXJARV-QFIPXVFZSA-N 0 0 424.478 4.452 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)Nc2cccc(-c3csc(C)n3)c2)c([N+](=O)[O-])c1 ZINC000440877783 865973083 /nfs/dbraw/zinc/97/30/83/865973083.db2.gz FQAMAVREGXIHIV-UHFFFAOYSA-N 0 0 411.439 4.247 20 5 HIBDRN CCCOc1cc(NC(=O)C(=O)Nc2cscc2C)c([N+](=O)[O-])cc1OCCC ZINC000440956731 866046715 /nfs/dbraw/zinc/04/67/15/866046715.db2.gz OQBREDSCJKKAHB-UHFFFAOYSA-N 0 0 421.475 4.120 20 5 HIBDRN COc1ccc(OCCN[C@H](c2cccc(Cl)c2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000441021790 866087798 /nfs/dbraw/zinc/08/77/98/866087798.db2.gz BOYTXHRYYMRCRG-OAQYLSRUSA-N 0 0 413.861 4.410 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2ccncc2)C1 ZINC000441050402 866121674 /nfs/dbraw/zinc/12/16/74/866121674.db2.gz LDMGNZOBAAUKNB-KRWDZBQOSA-N 0 0 421.478 4.435 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000441073366 866165511 /nfs/dbraw/zinc/16/55/11/866165511.db2.gz RXTJJECBMFOQMR-UNMCSNQZSA-N 0 0 420.469 4.138 20 5 HIBDRN CN(Cc1c(F)cccc1Cl)C(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441236551 866312037 /nfs/dbraw/zinc/31/20/37/866312037.db2.gz UTQKITAKWAYMIO-UHFFFAOYSA-N 0 0 405.857 4.010 20 5 HIBDRN Cc1ccc(CCN(Cc2ccco2)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000441252416 866325137 /nfs/dbraw/zinc/32/51/37/866325137.db2.gz JEXRFRHCJNEDRY-UHFFFAOYSA-N 0 0 421.453 4.015 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441268853 866344114 /nfs/dbraw/zinc/34/41/14/866344114.db2.gz YCETVRVMUSLIGB-LSDHHAIUSA-N 0 0 405.882 4.403 20 5 HIBDRN CN(C(=O)C1(Oc2ccccc2F)CC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000441287692 866362002 /nfs/dbraw/zinc/36/20/02/866362002.db2.gz QZNRNQNMSUZPCX-UHFFFAOYSA-N 0 0 413.430 4.432 20 5 HIBDRN CC[C@@](C)(COc1ncccc1Cl)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000441306802 866379124 /nfs/dbraw/zinc/37/91/24/866379124.db2.gz KGCKIIZPIMVBEH-IBGZPJMESA-N 0 0 417.853 4.031 20 5 HIBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000441373108 866440872 /nfs/dbraw/zinc/44/08/72/866440872.db2.gz AICCJCRZRHIGKK-CABCVRRESA-N 0 0 413.503 4.146 20 5 HIBDRN CCCN(C(=O)CCSc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000441427698 866505110 /nfs/dbraw/zinc/50/51/10/866505110.db2.gz HNGUMPYCIMFEOO-UHFFFAOYSA-N 0 0 402.472 4.291 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](OC)C[C@H]2C)cc1 ZINC000441427456 866505396 /nfs/dbraw/zinc/50/53/96/866505396.db2.gz HEWIOEGJLVWZDC-KDOFPFPSSA-N 0 0 400.431 4.035 20 5 HIBDRN O=C(c1cc(F)c(F)cc1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000441435114 866512311 /nfs/dbraw/zinc/51/23/11/866512311.db2.gz LEADYHXEZOKQPI-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN CCCN(C(=O)C[C@H](NC(C)=O)c1ccccc1OCC)c1cccc([N+](=O)[O-])c1 ZINC000441437150 866514135 /nfs/dbraw/zinc/51/41/35/866514135.db2.gz JABHNPXPXVDCQW-FQEVSTJZSA-N 0 0 413.474 4.004 20 5 HIBDRN CCCN(C(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000441438030 866515453 /nfs/dbraw/zinc/51/54/53/866515453.db2.gz QQCTXDBZLADUKD-CYBMUJFWSA-N 0 0 422.407 4.260 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@H](C)CO2)c1 ZINC000441442869 866520167 /nfs/dbraw/zinc/52/01/67/866520167.db2.gz AACLMRNYUNQCOZ-OXQOHEQNSA-N 0 0 408.458 4.224 20 5 HIBDRN CCCN(C(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441469395 866545656 /nfs/dbraw/zinc/54/56/56/866545656.db2.gz VNFSUDUTGWSZSB-MRXNPFEDSA-N 0 0 415.515 4.407 20 5 HIBDRN CCCN(C(=O)c1cc(OCCOC)c2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000441474605 866552140 /nfs/dbraw/zinc/55/21/40/866552140.db2.gz RCBMZTYCLKBNCA-UHFFFAOYSA-N 0 0 409.442 4.225 20 5 HIBDRN CCCN(C(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441483967 866565547 /nfs/dbraw/zinc/56/55/47/866565547.db2.gz IDKMJAYKSVDIIA-CQSZACIVSA-N 0 0 401.488 4.477 20 5 HIBDRN C[C@H](C(=O)N1CCOc2c(Br)cccc21)c1ccc([N+](=O)[O-])cc1F ZINC000441539349 866616981 /nfs/dbraw/zinc/61/69/81/866616981.db2.gz YLYIGZONEIIRGS-JTQLQIEISA-N 0 0 409.211 4.026 20 5 HIBDRN Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cnn1CCC(C)C ZINC000441578650 866665180 /nfs/dbraw/zinc/66/51/80/866665180.db2.gz FUJWZCMXHRJWSW-UHFFFAOYSA-N 0 0 409.284 4.090 20 5 HIBDRN COc1cccc(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000441578303 866665232 /nfs/dbraw/zinc/66/52/32/866665232.db2.gz UPNJNJYBLQLTFD-UHFFFAOYSA-N 0 0 407.264 4.074 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cc1[N+](=O)[O-] ZINC000441697718 866809948 /nfs/dbraw/zinc/80/99/48/866809948.db2.gz XXNUZIRCJGIOBQ-UHFFFAOYSA-N 0 0 417.421 4.082 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000441848344 866908652 /nfs/dbraw/zinc/90/86/52/866908652.db2.gz UYATWJRHUSHYKJ-MRXNPFEDSA-N 0 0 424.501 4.476 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000441857510 866922034 /nfs/dbraw/zinc/92/20/34/866922034.db2.gz HVSVKHNWTJSHHF-LJQANCHMSA-N 0 0 415.465 4.015 20 5 HIBDRN CN(Cc1ccnc(-c2ccc(Br)cc2)n1)Cc1ccccc1[N+](=O)[O-] ZINC000441898164 866963958 /nfs/dbraw/zinc/96/39/58/866963958.db2.gz MNRRAHJWWQFSKW-UHFFFAOYSA-N 0 0 413.275 4.446 20 5 HIBDRN Cc1ccc(-n2cc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cn2)c(C)c1 ZINC000468162141 882031331 /nfs/dbraw/zinc/03/13/31/882031331.db2.gz ZUFQTLGDLGJCIZ-UHFFFAOYSA-N 0 0 419.485 4.252 20 5 HIBDRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000468161991 882032405 /nfs/dbraw/zinc/03/24/05/882032405.db2.gz ZLZGIRDYQSIIFZ-UHFFFAOYSA-N 0 0 419.275 4.179 20 5 HIBDRN C[C@@H](C1CCC1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000442068824 867099638 /nfs/dbraw/zinc/09/96/38/867099638.db2.gz FZQQVOABPMIGHR-LBPRGKRZSA-N 0 0 419.528 4.393 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(COc2ccc3oc(=O)oc3c2)cc1OC ZINC000442107975 867131648 /nfs/dbraw/zinc/13/16/48/867131648.db2.gz ABQSRYKYCZMFQA-GFCCVEGCSA-N 0 0 403.387 4.307 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000442112089 867135426 /nfs/dbraw/zinc/13/54/26/867135426.db2.gz GXRYRMIYAGRWFQ-PMERELPUSA-N 0 0 423.494 4.262 20 5 HIBDRN CC[C@@H](C)[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000442159986 867181436 /nfs/dbraw/zinc/18/14/36/867181436.db2.gz XWBZYESTMIBZFD-XIKOKIGWSA-N 0 0 403.866 4.399 20 5 HIBDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000442182795 867205699 /nfs/dbraw/zinc/20/56/99/867205699.db2.gz JAPRZHOEUQOENP-QFIPXVFZSA-N 0 0 421.501 4.158 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(CN(C)C)c(Br)c2)c1[N+](=O)[O-] ZINC000468182212 882058062 /nfs/dbraw/zinc/05/80/62/882058062.db2.gz HAGLMYHXMXTAPP-UHFFFAOYSA-N 0 0 424.320 4.393 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000442369943 867355764 /nfs/dbraw/zinc/35/57/64/867355764.db2.gz MLAVYNXFRHTHLC-BJOOFOGMSA-N 0 0 401.850 4.009 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000442387826 867373564 /nfs/dbraw/zinc/37/35/64/867373564.db2.gz TZFUHAIWGYWTMF-XHBKTUGNSA-N 0 0 401.850 4.009 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(OC(F)F)cc2F)cc1SC ZINC000468210503 882090753 /nfs/dbraw/zinc/09/07/53/882090753.db2.gz MZDJIHKOMOPJCC-UHFFFAOYSA-N 0 0 420.340 4.457 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc12 ZINC000468214105 882095973 /nfs/dbraw/zinc/09/59/73/882095973.db2.gz DSGCHTZTRKQLMB-UHFFFAOYSA-N 0 0 419.393 4.033 20 5 HIBDRN Cc1nccn1CCCN(C)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442632589 867574372 /nfs/dbraw/zinc/57/43/72/867574372.db2.gz DUOUNJDIGVSWRT-UHFFFAOYSA-N 0 0 410.499 4.413 20 5 HIBDRN O=C(NCC1(CCO)CCCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442643145 867584615 /nfs/dbraw/zinc/58/46/15/867584615.db2.gz FUFVRJULQNIEDN-UHFFFAOYSA-N 0 0 400.500 4.419 20 5 HIBDRN O=C(N[C@H]1COc2ccccc2C1=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442640932 867584826 /nfs/dbraw/zinc/58/48/26/867584826.db2.gz YIVRLAIIXPWMBH-INIZCTEOSA-N 0 0 420.446 4.120 20 5 HIBDRN O=[N+]([O-])c1cccc(Cc2nc(C3(c4cccc(Br)c4)CC3)no2)c1 ZINC000442682535 867616395 /nfs/dbraw/zinc/61/63/95/867616395.db2.gz JUYRQFSNEUHHCW-UHFFFAOYSA-N 0 0 400.232 4.411 20 5 HIBDRN COc1cc(-c2nc(C3(c4cccc(Br)c4)CC3)no2)ccc1[N+](=O)[O-] ZINC000442692191 867626382 /nfs/dbraw/zinc/62/63/82/867626382.db2.gz NDJAFAIVPUEYES-UHFFFAOYSA-N 0 0 416.231 4.496 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc12 ZINC000468222858 882109763 /nfs/dbraw/zinc/10/97/63/882109763.db2.gz ZJSYPCVQYPYWGM-UHFFFAOYSA-N 0 0 419.393 4.033 20 5 HIBDRN COCc1nc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c(-c2ccccc2)s1 ZINC000442846528 867696957 /nfs/dbraw/zinc/69/69/57/867696957.db2.gz ZSHGZPGMOPEVFH-UHFFFAOYSA-N 0 0 422.466 4.276 20 5 HIBDRN CC[C@@]1(C)CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000468233271 882125682 /nfs/dbraw/zinc/12/56/82/882125682.db2.gz GTACSSQFERWBMF-IBGZPJMESA-N 0 0 413.440 4.479 20 5 HIBDRN CC(C)Oc1ccccc1CS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443190758 867868025 /nfs/dbraw/zinc/86/80/25/867868025.db2.gz CZZMQBJNWYHANF-UHFFFAOYSA-N 0 0 414.277 4.118 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@H]1CO ZINC000443387927 867946579 /nfs/dbraw/zinc/94/65/79/867946579.db2.gz SDNOHWHJVRKBKJ-WBMJQRKESA-N 0 0 406.891 4.242 20 5 HIBDRN CCOc1ccc([C@H](NCc2c([N+](=O)[O-])ncn2C)c2cccc(Cl)c2)cc1 ZINC000443456315 868044903 /nfs/dbraw/zinc/04/49/03/868044903.db2.gz UFKYYRKPZUFRJZ-IBGZPJMESA-N 0 0 400.866 4.260 20 5 HIBDRN Cc1cc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)nc(-c2ccc(Cl)cc2)n1 ZINC000443523841 868081907 /nfs/dbraw/zinc/08/19/07/868081907.db2.gz REXWSWBABAHGGL-UHFFFAOYSA-N 0 0 406.833 4.320 20 5 HIBDRN O=C(Nc1cc(F)cc(F)c1Br)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000443534431 868094336 /nfs/dbraw/zinc/09/43/36/868094336.db2.gz RDXJBZPRHOSUTI-UHFFFAOYSA-N 0 0 412.190 4.226 20 5 HIBDRN CC[C@]1(C)Oc2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2O1 ZINC000443558908 868112573 /nfs/dbraw/zinc/11/25/73/868112573.db2.gz MIGDYDLKGPDLDE-OAQYLSRUSA-N 0 0 408.414 4.145 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443649749 868243189 /nfs/dbraw/zinc/24/31/89/868243189.db2.gz GYDMSVZSXUUSQP-OAHLLOKOSA-N 0 0 403.866 4.039 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443658727 868264387 /nfs/dbraw/zinc/26/43/87/868264387.db2.gz OKRJFGXDCAPMQT-CQSZACIVSA-N 0 0 412.421 4.002 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443684187 868289200 /nfs/dbraw/zinc/28/92/00/868289200.db2.gz QDWAHSBBTNMOMT-CQSZACIVSA-N 0 0 417.512 4.207 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC000443701402 868296437 /nfs/dbraw/zinc/29/64/37/868296437.db2.gz AGBVHHKZDXLISV-UHFFFAOYSA-N 0 0 414.405 4.108 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000443708455 868299973 /nfs/dbraw/zinc/29/99/73/868299973.db2.gz NYEZLFGAXSZEJP-HXUWFJFHSA-N 0 0 404.488 4.051 20 5 HIBDRN Cn1c(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000468261275 882175621 /nfs/dbraw/zinc/17/56/21/882175621.db2.gz UCACZYCVVWYTCM-UHFFFAOYSA-N 0 0 418.375 4.190 20 5 HIBDRN COCCN(C(=O)CCC(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000443827117 868359793 /nfs/dbraw/zinc/35/97/93/868359793.db2.gz UUYWOIBBPHKNLR-UHFFFAOYSA-N 0 0 403.382 4.040 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443860325 868392540 /nfs/dbraw/zinc/39/25/40/868392540.db2.gz IKYVELXMPFOLFY-UHFFFAOYSA-N 0 0 407.348 4.102 20 5 HIBDRN O=C(Nc1c(F)cc(Br)cc1F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000443884276 868420521 /nfs/dbraw/zinc/42/05/21/868420521.db2.gz WHWBZBFAQIKJMJ-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN O=C(Nc1c(F)cc(Br)cc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443884230 868420834 /nfs/dbraw/zinc/42/08/34/868420834.db2.gz XQTSQHAFQGQLPJ-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(Br)c1 ZINC000443887718 868423763 /nfs/dbraw/zinc/42/37/63/868423763.db2.gz IDIBZWJWVPJFHI-SNVBAGLBSA-N 0 0 421.226 4.417 20 5 HIBDRN Cc1noc(C)c1[C@H](C)CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443888642 868426452 /nfs/dbraw/zinc/42/64/52/868426452.db2.gz LFUHVWMNKRVWHY-SECBINFHSA-N 0 0 405.252 4.148 20 5 HIBDRN Cc1cc(CN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000443896452 868431662 /nfs/dbraw/zinc/43/16/62/868431662.db2.gz MEZBQCSWGIELJT-UHFFFAOYSA-N 0 0 407.250 4.170 20 5 HIBDRN Cc1nc(-c2cccc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000443906420 868442291 /nfs/dbraw/zinc/44/22/91/868442291.db2.gz ZSDZLHPHYYQBSM-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN 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ZINC000443981229 868507651 /nfs/dbraw/zinc/50/76/51/868507651.db2.gz ANXKEJZMLRDRPO-GUYCJALGSA-N 0 0 402.447 4.381 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])cc1OC(F)F ZINC000444004530 868526812 /nfs/dbraw/zinc/52/68/12/868526812.db2.gz MMOQJGSHYLOKGT-FZMZJTMJSA-N 0 0 410.373 4.411 20 5 HIBDRN CCCN(C[C@H]1CCCCO1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444006783 868528877 /nfs/dbraw/zinc/52/88/77/868528877.db2.gz BHUWSIBAWMVIOG-MRXNPFEDSA-N 0 0 414.452 4.381 20 5 HIBDRN COc1cc(Cl)ccc1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444009926 868532337 /nfs/dbraw/zinc/53/23/37/868532337.db2.gz NVBVBTNWPJOPNT-UHFFFAOYSA-N 0 0 410.832 4.412 20 5 HIBDRN COc1cc(CNc2cccc(-c3ncc4n3CCCC4)c2)c([N+](=O)[O-])cc1OC ZINC000444010669 868535032 /nfs/dbraw/zinc/53/50/32/868535032.db2.gz QJPJCZOCHDNCIM-UHFFFAOYSA-N 0 0 408.458 4.424 20 5 HIBDRN Cc1nc(C)c(CCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)s1 ZINC000444013793 868536643 /nfs/dbraw/zinc/53/66/43/868536643.db2.gz ZKXNXTQOTHLBDJ-UHFFFAOYSA-N 0 0 413.449 4.005 20 5 HIBDRN Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000444024371 868552937 /nfs/dbraw/zinc/55/29/37/868552937.db2.gz XDVIHCVCKJUSLM-KRWDZBQOSA-N 0 0 406.442 4.193 20 5 HIBDRN O=C(N[C@H]1CCc2c1cccc2O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444026480 868555997 /nfs/dbraw/zinc/55/59/97/868555997.db2.gz XZGUNOJYKSUATO-SFHVURJKSA-N 0 0 406.388 4.082 20 5 HIBDRN O=C(NCCCc1ccc(O)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444026960 868557828 /nfs/dbraw/zinc/55/78/28/868557828.db2.gz ANINDQGYBAWWNO-UHFFFAOYSA-N 0 0 408.404 4.028 20 5 HIBDRN C[S@@](=O)Cc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)ccc1Cl ZINC000444038588 868575523 /nfs/dbraw/zinc/57/55/23/868575523.db2.gz ZDETXXUOAQXGSP-GDLZYMKVSA-N 0 0 424.909 4.466 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)cc1SC ZINC000444039350 868576603 /nfs/dbraw/zinc/57/66/03/868576603.db2.gz XWXLJTFMKSPTEL-INIZCTEOSA-N 0 0 406.479 4.462 20 5 HIBDRN O=C(Cc1cccc(C(F)F)c1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000468285017 882206714 /nfs/dbraw/zinc/20/67/14/882206714.db2.gz IMIHCVXRYRBVFA-UHFFFAOYSA-N 0 0 417.334 4.322 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@H](COCc2ccccc2)C1 ZINC000444087348 868609961 /nfs/dbraw/zinc/60/99/61/868609961.db2.gz ZNKJCWAYJNNFPQ-IBGZPJMESA-N 0 0 412.489 4.360 20 5 HIBDRN CN1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c2cc(F)ccc21 ZINC000444095655 868614002 /nfs/dbraw/zinc/61/40/02/868614002.db2.gz MLWYJUPQDYKAQC-UHFFFAOYSA-N 0 0 401.441 4.307 20 5 HIBDRN CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444103889 868620017 /nfs/dbraw/zinc/62/00/17/868620017.db2.gz VZIIQKWZNOMWCM-UHFFFAOYSA-N 0 0 422.488 4.198 20 5 HIBDRN COc1cc(CCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1C ZINC000444104869 868620032 /nfs/dbraw/zinc/62/00/32/868620032.db2.gz ZPCXVSRODCNLQA-UHFFFAOYSA-N 0 0 422.431 4.249 20 5 HIBDRN CCO[C@@H](CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C(C)C ZINC000444106965 868621045 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424.460 4.146 20 5 HIBDRN O=C(NCc1ncoc1-c1ccccc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444221419 868673126 /nfs/dbraw/zinc/67/31/26/868673126.db2.gz DPUPXKOFHJPBLW-UHFFFAOYSA-N 0 0 413.408 4.405 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H](c2ccsc2)O1 ZINC000444226395 868676306 /nfs/dbraw/zinc/67/63/06/868676306.db2.gz ONNMYOHWJRFCBS-QKKBWIMNSA-N 0 0 404.491 4.345 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@@H](c2ccsc2)O1 ZINC000444225962 868676360 /nfs/dbraw/zinc/67/63/60/868676360.db2.gz NVELGDTZVJRTGM-YJYMSZOUSA-N 0 0 422.481 4.484 20 5 HIBDRN CN(CCOCc1ccccc1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444229077 868677851 /nfs/dbraw/zinc/67/78/51/868677851.db2.gz TYKLFVKVDNMWHV-UHFFFAOYSA-N 0 0 422.431 4.248 20 5 HIBDRN O=C(NC1CCC2(CCOCC2)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444231233 868680217 /nfs/dbraw/zinc/68/02/17/868680217.db2.gz CWUKVWDTJZJMNU-UHFFFAOYSA-N 0 0 408.473 4.290 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCOC2(C1)CCCCCC2 ZINC000444231852 868680358 /nfs/dbraw/zinc/68/03/58/868680358.db2.gz KDLVDEXPXWRXOE-UHFFFAOYSA-N 0 0 408.473 4.386 20 5 HIBDRN COCCCOc1cccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000444236271 868684223 /nfs/dbraw/zinc/68/42/23/868684223.db2.gz INTKNMGJNNFJIB-UHFFFAOYSA-N 0 0 416.477 4.027 20 5 HIBDRN O=C(N[C@H](CCCO)c1ccccc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444247313 868695026 /nfs/dbraw/zinc/69/50/26/868695026.db2.gz QJHNORLFBHCWRD-HXUWFJFHSA-N 0 0 404.441 4.064 20 5 HIBDRN CCOc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1CO ZINC000444254176 868700659 /nfs/dbraw/zinc/70/06/59/868700659.db2.gz VZYWSNSHGUDDAN-UHFFFAOYSA-N 0 0 424.403 4.103 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@@H](c2cccc(OC)c2)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000444261849 868704211 /nfs/dbraw/zinc/70/42/11/868704211.db2.gz SXILPBFBUWADQC-KRWDZBQOSA-N 0 0 414.849 4.062 20 5 HIBDRN CCCCCn1cc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c(C)n1 ZINC000444284023 868713856 /nfs/dbraw/zinc/71/38/56/868713856.db2.gz DQKANGZCFISVMR-UHFFFAOYSA-N 0 0 420.488 4.446 20 5 HIBDRN C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1[N+](=O)[O-] ZINC000444284203 868714019 /nfs/dbraw/zinc/71/40/19/868714019.db2.gz DTUNQEXQFAXDFM-NSHDSACASA-N 0 0 423.375 4.359 20 5 HIBDRN CC(C)(C)c1nc(CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cs1 ZINC000444286802 868715515 /nfs/dbraw/zinc/71/55/15/868715515.db2.gz LTUPSOQLWBDHPK-UHFFFAOYSA-N 0 0 405.523 4.408 20 5 HIBDRN CC[C@H](C)Oc1cc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)ccn1 ZINC000444287399 868717942 /nfs/dbraw/zinc/71/79/42/868717942.db2.gz MNGLLIDMHKGKEW-AWEZNQCLSA-N 0 0 419.456 4.323 20 5 HIBDRN CSc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccn1 ZINC000444287323 868718314 /nfs/dbraw/zinc/71/83/14/868718314.db2.gz JSKGXMUNKZXPFP-UHFFFAOYSA-N 0 0 411.433 4.006 20 5 HIBDRN CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCO1 ZINC000444291924 868720395 /nfs/dbraw/zinc/72/03/95/868720395.db2.gz QXBGADMSXFIJNL-LIRRHRJNSA-N 0 0 414.452 4.283 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1[N+](=O)[O-] ZINC000444297096 868726729 /nfs/dbraw/zinc/72/67/29/868726729.db2.gz RQVKBUKCLGZUJL-SECBINFHSA-N 0 0 419.894 4.457 20 5 HIBDRN O=C(Nc1cnc2c(c1)CCCC2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444300159 868730542 /nfs/dbraw/zinc/73/05/42/868730542.db2.gz FQPKJOGYAKOALR-UHFFFAOYSA-N 0 0 405.404 4.486 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(CCCn2ccnc2)CC1 ZINC000444301935 868732120 /nfs/dbraw/zinc/73/21/20/868732120.db2.gz PALZSNBDEJNOAB-UHFFFAOYSA-N 0 0 414.509 4.210 20 5 HIBDRN COc1cccc(C(=O)c2ccc(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)cc2)c1 ZINC000444303548 868734836 /nfs/dbraw/zinc/73/48/36/868734836.db2.gz VDCXIOMEDKEEDU-UHFFFAOYSA-N 0 0 406.394 4.095 20 5 HIBDRN CC(C)O[C@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1(C)C ZINC000444323316 868751676 /nfs/dbraw/zinc/75/16/76/868751676.db2.gz XZVJEDNQSBQJQS-MSOLQXFVSA-N 0 0 414.452 4.281 20 5 HIBDRN C[C@@H](c1ccsc1)N1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000444324856 868752199 /nfs/dbraw/zinc/75/21/99/868752199.db2.gz ZNCYSVTVXHBAIW-INIZCTEOSA-N 0 0 417.534 4.262 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000444330265 868756107 /nfs/dbraw/zinc/75/61/07/868756107.db2.gz RIIPXJVRDQZIBW-SANMLTNESA-N 0 0 410.473 4.343 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCSC[C@H]1c1nccs1 ZINC000444333726 868759815 /nfs/dbraw/zinc/75/98/15/868759815.db2.gz BKAULWOGDIMJBN-SFHVURJKSA-N 0 0 407.520 4.068 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000468302426 882226132 /nfs/dbraw/zinc/22/61/32/882226132.db2.gz HROLCIYGQGCMKA-QANKJYHBSA-N 0 0 418.902 4.242 20 5 HIBDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000444400604 868811969 /nfs/dbraw/zinc/81/19/69/868811969.db2.gz OHSUTLMKQXPNCP-CXAGYDPISA-N 0 0 406.891 4.329 20 5 HIBDRN O=C(Nc1ccc(Nc2ncccn2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000444415988 868818822 /nfs/dbraw/zinc/81/88/22/868818822.db2.gz AAZLYXKLOFJHHX-UHFFFAOYSA-N 0 0 403.320 4.400 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ncn(C)n1 ZINC000444437191 868828194 /nfs/dbraw/zinc/82/81/94/868828194.db2.gz ZMVKPYDMERJKJD-NSHDSACASA-N 0 0 417.878 4.019 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cnn(C4CCCC4)c3C)cc2)c(C)c1[N+](=O)[O-] ZINC000444491843 868855697 /nfs/dbraw/zinc/85/56/97/868855697.db2.gz AUGAFERJCCMLKO-UHFFFAOYSA-N 0 0 422.489 4.329 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c(Cl)c1 ZINC000444517869 868866388 /nfs/dbraw/zinc/86/63/88/868866388.db2.gz ZHNPFXWTMNBECS-UHFFFAOYSA-N 0 0 410.879 4.372 20 5 HIBDRN Cc1ccc2c(CCNC(=O)c3ccc([N+](=O)[O-])cc3Br)cn(C)c2c1 ZINC000444528719 868869179 /nfs/dbraw/zinc/86/91/79/868869179.db2.gz OXUXXYRKBMERHM-UHFFFAOYSA-N 0 0 416.275 4.130 20 5 HIBDRN CC(C)(C)c1nsc(Oc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2Cl)n1 ZINC000444530305 868869503 /nfs/dbraw/zinc/86/95/03/868869503.db2.gz XHAYVCFIOMPHQB-UHFFFAOYSA-N 0 0 422.854 4.165 20 5 HIBDRN Cc1ccc2c(CCNC(=O)c3ccc(Br)cc3[N+](=O)[O-])cn(C)c2c1 ZINC000444528724 868869568 /nfs/dbraw/zinc/86/95/68/868869568.db2.gz OYRAEPLFHSVNQT-UHFFFAOYSA-N 0 0 416.275 4.130 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(-c3cccs3)cc2)CC1 ZINC000444587681 868891519 /nfs/dbraw/zinc/89/15/19/868891519.db2.gz AVWRVTDVYZBAMM-UHFFFAOYSA-N 0 0 413.524 4.343 20 5 HIBDRN CC(C)COc1ccc(C2(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)cc1 ZINC000444631565 868920209 /nfs/dbraw/zinc/92/02/09/868920209.db2.gz AFGGNDUVIHGPDI-UHFFFAOYSA-N 0 0 422.485 4.244 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000444632796 868921604 /nfs/dbraw/zinc/92/16/04/868921604.db2.gz HMPLKAOUOBBOFC-UHFFFAOYSA-N 0 0 424.363 4.472 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-c2c(F)cccc2F)c1 ZINC000444634968 868923370 /nfs/dbraw/zinc/92/33/70/868923370.db2.gz JEOKVQITGGRZEL-UHFFFAOYSA-N 0 0 408.364 4.346 20 5 HIBDRN C[C@@H]1CCC[C@H](OCCCCCC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444639658 868925844 /nfs/dbraw/zinc/92/58/44/868925844.db2.gz ZMSMRXFDPWYKTJ-WBVHZDCISA-N 0 0 402.495 4.243 20 5 HIBDRN O=C(CCCCc1nc2ccccc2s1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444647131 868928409 /nfs/dbraw/zinc/92/84/09/868928409.db2.gz USBSCXFUJDBHLL-UHFFFAOYSA-N 0 0 409.471 4.110 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000444648657 868929733 /nfs/dbraw/zinc/92/97/33/868929733.db2.gz YSRSIPWLNOPFJP-VXGBXAGGSA-N 0 0 405.241 4.198 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000468316016 882243127 /nfs/dbraw/zinc/24/31/27/882243127.db2.gz LODOUJLCEPMMKS-AWEZNQCLSA-N 0 0 423.425 4.183 20 5 HIBDRN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000444683353 868956868 /nfs/dbraw/zinc/95/68/68/868956868.db2.gz GCRWDFAOTMKZQK-MRXNPFEDSA-N 0 0 417.263 4.189 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](c3ccccc3OC(F)F)C(F)(F)F)nc2c1 ZINC000444690392 868960022 /nfs/dbraw/zinc/96/00/22/868960022.db2.gz SHYCCSMWRWYERB-OAHLLOKOSA-N 0 0 416.306 4.466 20 5 HIBDRN O=C(Nc1nc2c(s1)C(=O)CCC2)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444701750 868963807 /nfs/dbraw/zinc/96/38/07/868963807.db2.gz INVRKQBOZRGDAI-UHFFFAOYSA-N 0 0 407.426 4.048 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 ZINC000444725304 868978499 /nfs/dbraw/zinc/97/84/99/868978499.db2.gz ALWRCSKIGOIIQK-UHFFFAOYSA-N 0 0 402.407 4.132 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCSc1ccc2c(c1)OCCCO2 ZINC000444737566 868983228 /nfs/dbraw/zinc/98/32/28/868983228.db2.gz QZCMEPDSFVBNDL-UHFFFAOYSA-N 0 0 402.472 4.494 20 5 HIBDRN Cc1cccc2nc(C3CCN([C@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000444766276 868992199 /nfs/dbraw/zinc/99/21/99/868992199.db2.gz MYHZEYAECJWDEN-OAHLLOKOSA-N 0 0 408.458 4.251 20 5 HIBDRN Cc1ccccc1[C@@H](CC(F)(F)F)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444776150 868998440 /nfs/dbraw/zinc/99/84/40/868998440.db2.gz BDAZRVNKWRDENM-QGZVFWFLSA-N 0 0 407.392 4.076 20 5 HIBDRN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 ZINC000444812818 869025229 /nfs/dbraw/zinc/02/52/29/869025229.db2.gz OSZDGVNIXDPBNC-MLGOLLRUSA-N 0 0 422.762 4.020 20 5 HIBDRN O=C(CN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000444816968 869028610 /nfs/dbraw/zinc/02/86/10/869028610.db2.gz TWLKZACUJKOAID-HNNXBMFYSA-N 0 0 405.735 4.219 20 5 HIBDRN O=C(NCc1cccc(C(F)(F)F)c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444831094 869039062 /nfs/dbraw/zinc/03/90/62/869039062.db2.gz AGIFGKHSWLWKTJ-UHFFFAOYSA-N 0 0 409.183 4.368 20 5 HIBDRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444844975 869049335 /nfs/dbraw/zinc/04/93/35/869049335.db2.gz DQCBPCIVPRUINV-OAHLLOKOSA-N 0 0 414.461 4.161 20 5 HIBDRN O=C(Nc1cnc(-c2ccccc2)nc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444854616 869056309 /nfs/dbraw/zinc/05/63/09/869056309.db2.gz FJIVAIFMOVWVQN-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444863790 869064741 /nfs/dbraw/zinc/06/47/41/869064741.db2.gz ZPKIYGYIELOSMB-GOSISDBHSA-N 0 0 414.461 4.491 20 5 HIBDRN COc1cc(NCc2cnn(-c3ccc(Br)cc3)c2)c(F)cc1[N+](=O)[O-] ZINC000444880493 869074534 /nfs/dbraw/zinc/07/45/34/869074534.db2.gz SPQKUFDBXJITFT-UHFFFAOYSA-N 0 0 421.226 4.303 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n(C(C)(C)C)n1 ZINC000444894195 869081856 /nfs/dbraw/zinc/08/18/56/869081856.db2.gz IIHYAULKJTVBJH-UHFFFAOYSA-N 0 0 413.482 4.042 20 5 HIBDRN C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1nc(-c2ccccc2)cs1 ZINC000468329688 882261343 /nfs/dbraw/zinc/26/13/43/882261343.db2.gz MZNAKQLRMPDXII-AWEZNQCLSA-N 0 0 424.482 4.252 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(COC2CCCC2)cc1 ZINC000444905909 869093437 /nfs/dbraw/zinc/09/34/37/869093437.db2.gz LIZHQUOVBBMLCH-UHFFFAOYSA-N 0 0 409.446 4.252 20 5 HIBDRN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@H]1O ZINC000468329764 882262258 /nfs/dbraw/zinc/26/22/58/882262258.db2.gz SVHXRWKFQUNNFY-YVEFUNNKSA-N 0 0 406.891 4.242 20 5 HIBDRN CCN(Cc1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444916140 869101461 /nfs/dbraw/zinc/10/14/61/869101461.db2.gz AFJOTQAKWAADAA-UHFFFAOYSA-N 0 0 408.252 4.420 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F ZINC000444922713 869107297 /nfs/dbraw/zinc/10/72/97/869107297.db2.gz ODOSMKFUGCAUSV-SNVBAGLBSA-N 0 0 405.361 4.231 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)Nc4ccc([N+](=O)[O-])cc4OC)CC3)c2c1 ZINC000444935777 869116907 /nfs/dbraw/zinc/11/69/07/869116907.db2.gz GPPIQPMRBBOEFS-UHFFFAOYSA-N 0 0 422.441 4.415 20 5 HIBDRN O=C(NCCc1ccc(Br)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444999887 869153810 /nfs/dbraw/zinc/15/38/10/869153810.db2.gz XGEWVYKCOMDXIP-UHFFFAOYSA-N 0 0 421.294 4.416 20 5 HIBDRN Cc1nc(C)n(Cc2cccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)c2)n1 ZINC000445004409 869158951 /nfs/dbraw/zinc/15/89/51/869158951.db2.gz NSFSELPSRVRHHE-UHFFFAOYSA-N 0 0 423.476 4.190 20 5 HIBDRN CC(C)c1oc([C@H]2CCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000445020459 869169960 /nfs/dbraw/zinc/16/99/60/869169960.db2.gz OMCLDJUFYMFENH-MRXNPFEDSA-N 0 0 422.441 4.451 20 5 HIBDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445019913 869170036 /nfs/dbraw/zinc/17/00/36/869170036.db2.gz NAJFJJOWVXWIJS-UHFFFAOYSA-N 0 0 417.412 4.429 20 5 HIBDRN COc1ccc2oc([C@H](C)NC(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)c(C)c2c1 ZINC000445088481 869209296 /nfs/dbraw/zinc/20/92/96/869209296.db2.gz SDMVXXWHNRDERS-LBPRGKRZSA-N 0 0 423.429 4.095 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1ncon1 ZINC000468339880 882275278 /nfs/dbraw/zinc/27/52/78/882275278.db2.gz DEKHEFPMTWFAMT-JTQLQIEISA-N 0 0 404.835 4.273 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000468341591 882276710 /nfs/dbraw/zinc/27/67/10/882276710.db2.gz VOBRPBXODRQNJA-FQEVSTJZSA-N 0 0 416.840 4.188 20 5 HIBDRN CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000445141992 869239034 /nfs/dbraw/zinc/23/90/34/869239034.db2.gz WBJWIZATMXKVGY-LSDHHAIUSA-N 0 0 409.364 4.123 20 5 HIBDRN O=C(NCc1cc(Cl)cc2c1OCC2)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445156845 869247305 /nfs/dbraw/zinc/24/73/05/869247305.db2.gz HAJHMXHFWHLAME-UHFFFAOYSA-N 0 0 404.853 4.200 20 5 HIBDRN Cc1cc(-c2ncccc2NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cs1 ZINC000445159271 869249194 /nfs/dbraw/zinc/24/91/94/869249194.db2.gz PSGXJNDYPMZBGB-UHFFFAOYSA-N 0 0 408.443 4.225 20 5 HIBDRN O=C(N[C@H]1CCc2c1cccc2Cl)c1sc(Br)cc1[N+](=O)[O-] ZINC000445171270 869256751 /nfs/dbraw/zinc/25/67/51/869256751.db2.gz GFDIRPXWAPFWPX-JTQLQIEISA-N 0 0 401.669 4.490 20 5 HIBDRN O=C(NCCCc1ccc(Cl)cc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000445175070 869259669 /nfs/dbraw/zinc/25/96/69/869259669.db2.gz BPZNWBADHBDLLB-UHFFFAOYSA-N 0 0 403.685 4.435 20 5 HIBDRN CC(=O)N1CCCc2cc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)ccc21 ZINC000445175525 869259080 /nfs/dbraw/zinc/25/90/80/869259080.db2.gz UDEIZHYCPWHTJE-UHFFFAOYSA-N 0 0 411.461 4.233 20 5 HIBDRN CCCOc1ccc(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1Cl ZINC000445235947 869293160 /nfs/dbraw/zinc/29/31/60/869293160.db2.gz FWSVIOMAEKZSDP-UHFFFAOYSA-N 0 0 403.826 4.235 20 5 HIBDRN CC[C@@H](C)c1ccc(NC(=O)Cc2noc(COc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000445272811 869319969 /nfs/dbraw/zinc/31/99/69/869319969.db2.gz FTDFFCJGNLFZIX-CQSZACIVSA-N 0 0 410.430 4.252 20 5 HIBDRN COc1ccc(NC(=O)Cc2noc([C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000445276443 869323324 /nfs/dbraw/zinc/32/33/24/869323324.db2.gz FEIIVKURKQSNNJ-LBPRGKRZSA-N 0 0 414.443 4.021 20 5 HIBDRN CCOc1ccc(-c2nc(CC(=O)Nc3c(CC)cccc3CC)no2)cc1[N+](=O)[O-] ZINC000445318682 869374774 /nfs/dbraw/zinc/37/47/74/869374774.db2.gz LJAHMJCZHWHVJC-UHFFFAOYSA-N 0 0 424.457 4.350 20 5 HIBDRN Cc1cccc(C)c1NC(=O)Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000445320652 869378180 /nfs/dbraw/zinc/37/81/80/869378180.db2.gz NKGOTCUINVUKSL-UHFFFAOYSA-N 0 0 420.347 4.462 20 5 HIBDRN Cc1ccc(NC(=O)Cc2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)c(C)c1 ZINC000445348474 869413363 /nfs/dbraw/zinc/41/33/63/869413363.db2.gz CLJJSRVSSRWPKF-UHFFFAOYSA-N 0 0 418.356 4.044 20 5 HIBDRN CCOc1ccccc1NC(=O)Cc1noc(/C=C(\C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000445351817 869416896 /nfs/dbraw/zinc/41/68/96/869416896.db2.gz MHSDAPLWFMWWRW-WYMLVPIESA-N 0 0 408.414 4.118 20 5 HIBDRN O=C(Cc1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1)Nc1cccc2ccccc21 ZINC000445350963 869416954 /nfs/dbraw/zinc/41/69/54/869416954.db2.gz DYBSQYUWVDAAJU-JLHYYAGUSA-N 0 0 400.394 4.483 20 5 HIBDRN Cc1cc(C)c(NC(=O)Cc2noc([C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)c(C)c1 ZINC000445353815 869419637 /nfs/dbraw/zinc/41/96/37/869419637.db2.gz VITWYCOGMJWKSG-CQSZACIVSA-N 0 0 412.421 4.375 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1-c1nc(CC(=O)Nc2ccc(Cl)cc2Cl)no1 ZINC000445369719 869439950 /nfs/dbraw/zinc/43/99/50/869439950.db2.gz UCJNBPZSCQECFA-UHFFFAOYSA-N 0 0 407.213 4.441 20 5 HIBDRN O=C(Cc1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1)Nc1ccc(F)c(Cl)c1 ZINC000445372599 869446699 /nfs/dbraw/zinc/44/66/99/869446699.db2.gz OWSOKGSPNWJJCS-UHFFFAOYSA-N 0 0 411.176 4.272 20 5 HIBDRN CCCS(=O)(=O)Cc1noc(/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000445455528 869533249 /nfs/dbraw/zinc/53/32/49/869533249.db2.gz PWJPFYIIJFFVKJ-NTMALXAHSA-N 0 0 419.484 4.202 20 5 HIBDRN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](c1nc(-c3ccc([N+](=O)[O-])s3)no1)CC2 ZINC000445470211 869544088 /nfs/dbraw/zinc/54/40/88/869544088.db2.gz ITCLAHSCXBSCPO-QMMMGPOBSA-N 0 0 411.365 4.096 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(COc3ccc(F)cc3Br)n2)s1 ZINC000445477520 869550147 /nfs/dbraw/zinc/55/01/47/869550147.db2.gz BCPSUWJEBFTFHM-UHFFFAOYSA-N 0 0 400.185 4.187 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OC(F)F)cn3)no2)c(Br)c1 ZINC000445511556 869574110 /nfs/dbraw/zinc/57/41/10/869574110.db2.gz JHDBTVUGACYWEB-UHFFFAOYSA-N 0 0 413.134 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COc1ccc([N+](=O)[O-])c(Cc2noc(CCn3c4ccccc4nc3C3CC3)n2)c1 ZINC000445578482 869638457 /nfs/dbraw/zinc/63/84/57/869638457.db2.gz COJOUKWUGUUWJV-UHFFFAOYSA-N 0 0 419.441 4.047 20 5 HIBDRN CCS(=O)(=O)c1ccc(-c2noc([C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000445596910 869660592 /nfs/dbraw/zinc/66/05/92/869660592.db2.gz LRCMQJNHZWMMMZ-LBPRGKRZSA-N 0 0 419.484 4.292 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(CCc3ccc4c(c3)CCO4)no2)cc(C(F)(F)F)c1 ZINC000445599094 869664379 /nfs/dbraw/zinc/66/43/79/869664379.db2.gz CAJAZAGDMAXNPF-UHFFFAOYSA-N 0 0 405.332 4.384 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(-c4nc5ccccc5s4)o3)n2)n1C ZINC000445608912 869672575 /nfs/dbraw/zinc/67/25/75/869672575.db2.gz PYUTYCLRGZDTBA-UHFFFAOYSA-N 0 0 408.399 4.223 20 5 HIBDRN Cc1ccc2c(Cc3noc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)n3)cn(C)c2c1 ZINC000445627954 869694920 /nfs/dbraw/zinc/69/49/20/869694920.db2.gz FRANQDSUVIJUAI-UHFFFAOYSA-N 0 0 401.426 4.441 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCn1ccc2ccccc21 ZINC000445639292 869708615 /nfs/dbraw/zinc/70/86/15/869708615.db2.gz DZTZJEARHMHHTH-UHFFFAOYSA-N 0 0 416.275 4.061 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1cccc(C(F)(F)F)c1 ZINC000445640597 869710398 /nfs/dbraw/zinc/71/03/98/869710398.db2.gz ANOJVNRGOVAROA-UHFFFAOYSA-N 0 0 417.181 4.235 20 5 HIBDRN CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(OC)cc1 ZINC000445668414 869736633 /nfs/dbraw/zinc/73/66/33/869736633.db2.gz YQSYWONXXXMFEZ-QGZVFWFLSA-N 0 0 407.264 4.176 20 5 HIBDRN O=C(Cc1noc(C2CCC(c3ccccc3)CC2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000445697672 869763401 /nfs/dbraw/zinc/76/34/01/869763401.db2.gz SAFFHPDBWMWPBE-UHFFFAOYSA-N 0 0 420.469 4.278 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445703521 869768024 /nfs/dbraw/zinc/76/80/24/869768024.db2.gz ZDNBOXUDORRDKL-AEFFLSMTSA-N 0 0 405.376 4.237 20 5 HIBDRN CC(C)c1ccc([C@@H](C)Cc2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000445714178 869774307 /nfs/dbraw/zinc/77/43/07/869774307.db2.gz 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HIBDRN COc1ccc(NC(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)cc1[N+](=O)[O-] ZINC000446172862 870112005 /nfs/dbraw/zinc/11/20/05/870112005.db2.gz ZILFYZNAXMXEEZ-UHFFFAOYSA-N 0 0 400.822 4.259 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1c(N2CCCC2)cccc1N1CCCC1 ZINC000446172898 870112076 /nfs/dbraw/zinc/11/20/76/870112076.db2.gz ZSJNNSMXNSLTBO-UHFFFAOYSA-N 0 0 408.502 4.367 20 5 HIBDRN CC(C)C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)OC(C)(C)C ZINC000446179656 870117357 /nfs/dbraw/zinc/11/73/57/870117357.db2.gz NNNJFHQBXMCDHN-LJQANCHMSA-N 0 0 408.498 4.168 20 5 HIBDRN CCOC(=O)[C@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])c2ccccc21 ZINC000446248028 870190092 /nfs/dbraw/zinc/19/00/92/870190092.db2.gz MLLFTHNOXUHIFE-HNNXBMFYSA-N 0 0 400.456 4.014 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000446303711 870229062 /nfs/dbraw/zinc/22/90/62/870229062.db2.gz WQWQJHAZBKKLSN-UHFFFAOYSA-N 0 0 403.438 4.071 20 5 HIBDRN COC(=O)c1nc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)sc1C1CC1 ZINC000446348804 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ZINC000447015519 870892997 /nfs/dbraw/zinc/89/29/97/870892997.db2.gz XSXMUNOWYBBMOD-RISCZKNCSA-N 0 0 418.393 4.369 20 5 HIBDRN Cc1ccccc1[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447019519 870896289 /nfs/dbraw/zinc/89/62/89/870896289.db2.gz COJZUDIEEPDYMC-LBPRGKRZSA-N 0 0 413.293 4.047 20 5 HIBDRN Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000447033506 870909321 /nfs/dbraw/zinc/90/93/21/870909321.db2.gz IVZHSIOBGQKGKG-CYBMUJFWSA-N 0 0 414.405 4.100 20 5 HIBDRN Cc1ccc(C[C@@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000447038071 870914291 /nfs/dbraw/zinc/91/42/91/870914291.db2.gz KEZQZWZCAPZBLQ-CYBMUJFWSA-N 0 0 416.421 4.174 20 5 HIBDRN COCCCOc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1Br ZINC000447061202 870942167 /nfs/dbraw/zinc/94/21/67/870942167.db2.gz UVXLSBWLTFVUBD-UHFFFAOYSA-N 0 0 410.268 4.088 20 5 HIBDRN CCc1noc(CC)c1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000447067803 870947134 /nfs/dbraw/zinc/94/71/34/870947134.db2.gz JECPSYCMGVKZPM-UHFFFAOYSA-N 0 0 405.252 4.052 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(Cl)c(Br)c2)cc1[N+](=O)[O-] ZINC000447130275 871030387 /nfs/dbraw/zinc/03/03/87/871030387.db2.gz AOIMFUIFLJRUBX-UHFFFAOYSA-N 0 0 414.643 4.341 20 5 HIBDRN Cc1ccc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(Oc2ccccc2)c1 ZINC000447214292 871102661 /nfs/dbraw/zinc/10/26/61/871102661.db2.gz VHAKJQDDVSUGSY-UHFFFAOYSA-N 0 0 419.437 4.259 20 5 HIBDRN CCC1(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCC1 ZINC000447285509 871181444 /nfs/dbraw/zinc/18/14/44/871181444.db2.gz BDQFNUSZIZFQTH-UHFFFAOYSA-N 0 0 405.501 4.195 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C(C)C)nc2ccccc21 ZINC000447330369 871223197 /nfs/dbraw/zinc/22/31/97/871223197.db2.gz OWFLGIQFRQQXRC-UHFFFAOYSA-N 0 0 412.471 4.401 20 5 HIBDRN Cn1c(=O)c(CSc2ccc(Br)cc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000447350240 871253725 /nfs/dbraw/zinc/25/37/25/871253725.db2.gz IMNFTSJEDBYBBU-UHFFFAOYSA-N 0 0 424.251 4.036 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3cncc(F)c3)CC2)s1 ZINC000468500433 882494307 /nfs/dbraw/zinc/49/43/07/882494307.db2.gz JFBCZLXDTGTAHH-UHFFFAOYSA-N 0 0 412.490 4.175 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CCn4c(cc5c4cccc5Cl)C3)n2)c1 ZINC000447430084 871334554 /nfs/dbraw/zinc/33/45/54/871334554.db2.gz CWHAIMYJJGREGQ-UHFFFAOYSA-N 0 0 409.833 4.269 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(F)(c2ccccc2)CC1 ZINC000447614784 871519927 /nfs/dbraw/zinc/51/99/27/871519927.db2.gz LOHLOFYNLIKXLH-UHFFFAOYSA-N 0 0 407.239 4.458 20 5 HIBDRN COc1cc(CCNC(=O)N2C[C@H](C(C)C)c3ccccc32)c([N+](=O)[O-])cc1OC ZINC000447668424 871596842 /nfs/dbraw/zinc/59/68/42/871596842.db2.gz ZMXKRVGSKYRSJF-QGZVFWFLSA-N 0 0 413.474 4.124 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000447671911 871604069 /nfs/dbraw/zinc/60/40/69/871604069.db2.gz SCWAXDSNSXRUSA-UHFFFAOYSA-N 0 0 405.414 4.091 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccn(-c2ccccc2)n1 ZINC000447674570 871606293 /nfs/dbraw/zinc/60/62/93/871606293.db2.gz DZDYEXAIMJIFPO-UHFFFAOYSA-N 0 0 413.306 4.442 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCO[C@H](c2ccccc2F)C1 ZINC000447681408 871613930 /nfs/dbraw/zinc/61/39/30/871613930.db2.gz ZEBXDHGEKWXECX-AWEZNQCLSA-N 0 0 421.297 4.361 20 5 HIBDRN CC(C)NC(=O)[C@H]1CCC[C@@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447684523 871616484 /nfs/dbraw/zinc/61/64/84/871616484.db2.gz BIWNCJWMOPVDBR-WDEREUQCSA-N 0 0 424.370 4.139 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCC(Oc2ccccn2)CC1 ZINC000447684027 871617346 /nfs/dbraw/zinc/61/73/46/871617346.db2.gz WGLUYJTYIKYYEA-UHFFFAOYSA-N 0 0 418.322 4.087 20 5 HIBDRN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447689070 871622006 /nfs/dbraw/zinc/62/20/06/871622006.db2.gz JPBNANPLSJUKEV-DIFFPNOSSA-N 0 0 417.263 4.200 20 5 HIBDRN COCCNc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 ZINC000447693738 871631904 /nfs/dbraw/zinc/63/19/04/871631904.db2.gz NYTVJKSYSGDFNO-UHFFFAOYSA-N 0 0 420.338 4.314 20 5 HIBDRN COC(=O)c1ccc(Oc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1OC ZINC000447694623 871634156 /nfs/dbraw/zinc/63/41/56/871634156.db2.gz SLGWVBRSYCOKAT-UHFFFAOYSA-N 0 0 422.262 4.231 20 5 HIBDRN Cc1ccc([C@@]2(C)CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000447694826 871634335 /nfs/dbraw/zinc/63/43/35/871634335.db2.gz UFWJCXHOELAUPU-QHCPKHFHSA-N 0 0 404.470 4.108 20 5 HIBDRN CCOc1cc(NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000447696274 871638075 /nfs/dbraw/zinc/63/80/75/871638075.db2.gz RONPGTXKWWJISR-UHFFFAOYSA-N 0 0 418.393 4.028 20 5 HIBDRN O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000447706724 871649522 /nfs/dbraw/zinc/64/95/22/871649522.db2.gz LPPZRAOALGBPRF-CYBMUJFWSA-N 0 0 421.144 4.372 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000447714126 871654964 /nfs/dbraw/zinc/65/49/64/871654964.db2.gz LWEMAPQOWMDXQO-UHFFFAOYSA-N 0 0 424.862 4.164 20 5 HIBDRN O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000447717997 871659959 /nfs/dbraw/zinc/65/99/59/871659959.db2.gz WLQQLEYLMOXUGB-KRWDZBQOSA-N 0 0 411.355 4.209 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1cc(F)ccc1F)C(F)F ZINC000447724114 871667844 /nfs/dbraw/zinc/66/78/44/871667844.db2.gz TZWWFZMYAOLBJW-MRXNPFEDSA-N 0 0 420.746 4.418 20 5 HIBDRN O=C1CCN1c1cccc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC000447801342 871737871 /nfs/dbraw/zinc/73/78/71/871737871.db2.gz BSVWJULLZXOACW-UHFFFAOYSA-N 0 0 402.279 4.124 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000447804546 871739578 /nfs/dbraw/zinc/73/95/78/871739578.db2.gz FVUMSTVDLSKLEX-ZBFHGGJFSA-N 0 0 401.429 4.208 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCc1csc(-c2ccccc2)n1 ZINC000447807623 871743236 /nfs/dbraw/zinc/74/32/36/871743236.db2.gz RDFZJIOXVALEPV-UHFFFAOYSA-N 0 0 424.526 4.205 20 5 HIBDRN Cc1ccc(-c2nc(CCNc3cc(CN4CCOCC4)ccc3[N+](=O)[O-])co2)cc1 ZINC000447812147 871746187 /nfs/dbraw/zinc/74/61/87/871746187.db2.gz JZXZGSIHUWDBDB-UHFFFAOYSA-N 0 0 422.485 4.045 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc(-c3ccco3)nn2C(C)C)c([N+](=O)[O-])cc1OC ZINC000447860186 871779091 /nfs/dbraw/zinc/77/90/91/871779091.db2.gz DIUAIDRDPHACDB-UHFFFAOYSA-N 0 0 414.418 4.292 20 5 HIBDRN O=C(c1cc(Br)cc(NCc2ccc([N+](=O)[O-])cc2)c1)N1CCCC1 ZINC000447975637 871830583 /nfs/dbraw/zinc/83/05/83/871830583.db2.gz HPLMLOWIOAGHPZ-UHFFFAOYSA-N 0 0 404.264 4.205 20 5 HIBDRN CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000448002660 871847778 /nfs/dbraw/zinc/84/77/78/871847778.db2.gz YMENWIHFAFIFDJ-MRXNPFEDSA-N 0 0 421.501 4.466 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(CCC(F)(F)F)CC(F)(F)F ZINC000468537292 882567885 /nfs/dbraw/zinc/56/78/85/882567885.db2.gz RDYMOGJTGLSWIH-UHFFFAOYSA-N 0 0 423.107 4.314 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000448105710 871950730 /nfs/dbraw/zinc/95/07/30/871950730.db2.gz VZEWSBXTTCJZMS-UHFFFAOYSA-N 0 0 403.847 4.312 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cc(F)cc(C(F)(F)F)c1 ZINC000448113973 871966228 /nfs/dbraw/zinc/96/62/28/871966228.db2.gz OTOAPZZAWIFCCI-VZUCSPMQSA-N 0 0 405.307 4.407 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cn(C)nc3-c3ccoc3)n2)cc1[N+](=O)[O-] ZINC000448128549 872002588 /nfs/dbraw/zinc/00/25/88/872002588.db2.gz NZLOLQFSTQVJLR-UHFFFAOYSA-N 0 0 409.427 4.273 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000448174489 872051078 /nfs/dbraw/zinc/05/10/78/872051078.db2.gz RKQSPNACFVPIJY-UHFFFAOYSA-N 0 0 406.891 4.410 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000448182071 872059696 /nfs/dbraw/zinc/05/96/96/872059696.db2.gz WWDSZKAMYSXDTE-HNNXBMFYSA-N 0 0 419.485 4.024 20 5 HIBDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448202345 872092447 /nfs/dbraw/zinc/09/24/47/872092447.db2.gz UZDUWIBGDCSHBU-UHFFFAOYSA-N 0 0 421.375 4.410 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000448284313 872210161 /nfs/dbraw/zinc/21/01/61/872210161.db2.gz USZKFMSGOPXOHR-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000468558851 882606157 /nfs/dbraw/zinc/60/61/57/882606157.db2.gz FMZVXIGEZUASML-HNNXBMFYSA-N 0 0 422.254 4.213 20 5 HIBDRN CCCCn1ncc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000448420194 872375690 /nfs/dbraw/zinc/37/56/90/872375690.db2.gz BOHRTGRWWPLTNQ-UHFFFAOYSA-N 0 0 413.400 4.359 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000448442505 872384687 /nfs/dbraw/zinc/38/46/87/872384687.db2.gz GDWDKSZHWBELMN-KRWDZBQOSA-N 0 0 400.406 4.010 20 5 HIBDRN COc1cc(OCC(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)ccc1[N+](=O)[O-] ZINC000448509388 872492823 /nfs/dbraw/zinc/49/28/23/872492823.db2.gz CXYSDIULMUSHBN-UHFFFAOYSA-N 0 0 419.846 4.398 20 5 HIBDRN Nc1c(C(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cccc1[N+](=O)[O-] ZINC000468563439 882619224 /nfs/dbraw/zinc/61/92/24/882619224.db2.gz FLWWJZXRXGCHJO-AWEZNQCLSA-N 0 0 412.446 4.247 20 5 HIBDRN O=C(Nc1ccc(-c2ccc(Cl)s2)cn1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000448514925 872496975 /nfs/dbraw/zinc/49/69/75/872496975.db2.gz OIHDYRYWULDXMH-UHFFFAOYSA-N 0 0 417.830 4.395 20 5 HIBDRN CCC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])s1)c1nc(C)c(C(=O)OCC)s1 ZINC000460117416 872587309 /nfs/dbraw/zinc/58/73/09/872587309.db2.gz SCABWUAJBUXQPA-SNVBAGLBSA-N 0 0 411.505 4.433 20 5 HIBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000468570384 882631280 /nfs/dbraw/zinc/63/12/80/882631280.db2.gz DHAPDVAPPLYSEZ-MRXNPFEDSA-N 0 0 404.264 4.074 20 5 HIBDRN Cc1csc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1I ZINC000468569203 882632223 /nfs/dbraw/zinc/63/22/23/882632223.db2.gz YIDMPYYWSATSOQ-UHFFFAOYSA-N 0 0 402.213 4.130 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000460148202 872664422 /nfs/dbraw/zinc/66/44/22/872664422.db2.gz CRWGABLOFLLGJP-XMMPIXPASA-N 0 0 402.450 4.368 20 5 HIBDRN Cc1csc([C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C2CC2)n1 ZINC000460238348 872827231 /nfs/dbraw/zinc/82/72/31/872827231.db2.gz OWSRGEZWACWOAW-AWEZNQCLSA-N 0 0 415.393 4.182 20 5 HIBDRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])n1C)CCO2 ZINC000460256344 872845941 /nfs/dbraw/zinc/84/59/41/872845941.db2.gz WZCUJWPATIAKJD-IBGZPJMESA-N 0 0 421.453 4.108 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)CC(C)(C)OC)cc1 ZINC000460272596 872862148 /nfs/dbraw/zinc/86/21/48/872862148.db2.gz AVWSGQZHCNIOSN-AWEZNQCLSA-N 0 0 402.447 4.329 20 5 HIBDRN CCn1c(-c2cccc3cccnc32)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000460288737 872879653 /nfs/dbraw/zinc/87/96/53/872879653.db2.gz MIGBEIOLXVVCHD-UHFFFAOYSA-N 0 0 402.458 4.100 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000460295418 872886178 /nfs/dbraw/zinc/88/61/78/872886178.db2.gz HUGUYOMAVNKSMB-GOSISDBHSA-N 0 0 423.473 4.232 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000460316482 872902287 /nfs/dbraw/zinc/90/22/87/872902287.db2.gz BFAPYVVVAWBIQE-OAHLLOKOSA-N 0 0 409.412 4.432 20 5 HIBDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000460322602 872918777 /nfs/dbraw/zinc/91/87/77/872918777.db2.gz BQTQEMAPHURTOF-CQSZACIVSA-N 0 0 403.866 4.136 20 5 HIBDRN Cc1cnc([C@@H](NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000460327271 872928144 /nfs/dbraw/zinc/92/81/44/872928144.db2.gz FUKOLKCKNQIOFY-DJJJIMSYSA-N 0 0 414.531 4.477 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)cc1SC ZINC000460343634 872957902 /nfs/dbraw/zinc/95/79/02/872957902.db2.gz PLUUXMWEOUDURC-ZDUSSCGKSA-N 0 0 401.488 4.058 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2cccc3nccn32)cc1[N+](=O)[O-])c1ccccn1 ZINC000460343433 872958109 /nfs/dbraw/zinc/95/81/09/872958109.db2.gz NJZIWRBKWCIXPX-AWEZNQCLSA-N 0 0 402.414 4.063 20 5 HIBDRN CCNc1ccc(C(=O)N(Cc2ccc(OC)cc2)c2ccncc2)cc1[N+](=O)[O-] ZINC000460372316 873008728 /nfs/dbraw/zinc/00/87/28/873008728.db2.gz BFMWIARKRNTWAA-UHFFFAOYSA-N 0 0 406.442 4.277 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000460385699 873029817 /nfs/dbraw/zinc/02/98/17/873029817.db2.gz GUGHOQBWIAYORQ-FOIQADDNSA-N 0 0 418.877 4.314 20 5 HIBDRN COc1cccc(-n2c3ccccc3nc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000460393367 873040654 /nfs/dbraw/zinc/04/06/54/873040654.db2.gz IUGYMYLYZCAZJR-UHFFFAOYSA-N 0 0 402.410 4.124 20 5 HIBDRN CCc1cc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)nc(C)n1 ZINC000460401374 873051863 /nfs/dbraw/zinc/05/18/63/873051863.db2.gz LDWTXYKLTSMPDK-UHFFFAOYSA-N 0 0 415.500 4.424 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000460401793 873052465 /nfs/dbraw/zinc/05/24/65/873052465.db2.gz NNSGBBNCQQBOGU-AVYPCKFXSA-N 0 0 418.877 4.313 20 5 HIBDRN Cc1nnc(-c2cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2)o1 ZINC000460410015 873062960 /nfs/dbraw/zinc/06/29/60/873062960.db2.gz ZIWGOSISXTVVRV-SNVBAGLBSA-N 0 0 402.794 4.013 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000460416793 873074119 /nfs/dbraw/zinc/07/41/19/873074119.db2.gz TUDWYGVLRCUEEM-BBRMVZONSA-N 0 0 417.487 4.044 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)Oc2ccccc2Cl)cc1SC ZINC000460436582 873102418 /nfs/dbraw/zinc/10/24/18/873102418.db2.gz KQFWXECINVPKBB-NSHDSACASA-N 0 0 410.879 4.176 20 5 HIBDRN COc1cccc(-c2ccc(CNC(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)cc2)c1 ZINC000460458973 873138806 /nfs/dbraw/zinc/13/88/06/873138806.db2.gz CQSBKYOMSILNCE-UHFFFAOYSA-N 0 0 422.437 4.218 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](COCc2ccccc2)C1 ZINC000460529080 873222825 /nfs/dbraw/zinc/22/28/25/873222825.db2.gz CXCXIMDUBVVBGE-KRWDZBQOSA-N 0 0 423.494 4.397 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000460534714 873232350 /nfs/dbraw/zinc/23/23/50/873232350.db2.gz SHUJWZRVDSMFKE-CYBMUJFWSA-N 0 0 408.285 4.421 20 5 HIBDRN CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000460556565 873276499 /nfs/dbraw/zinc/27/64/99/873276499.db2.gz SRTXOTKAODCYQP-UUKMXZOPSA-N 0 0 415.534 4.395 20 5 HIBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000460580526 873316176 /nfs/dbraw/zinc/31/61/76/873316176.db2.gz WVQMIPDIDMVQBO-LJQANCHMSA-N 0 0 403.429 4.091 20 5 HIBDRN CCCO[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)CC1 ZINC000460598054 873339848 /nfs/dbraw/zinc/33/98/48/873339848.db2.gz OASDVPFZUKTAIN-IBGZPJMESA-N 0 0 401.511 4.295 20 5 HIBDRN C[C@@H]1CCCN(C(=O)c2cc(C(=O)N3CCC[C@@H](C)CC3)cc([N+](=O)[O-])c2)CC1 ZINC000460649954 873391144 /nfs/dbraw/zinc/39/11/44/873391144.db2.gz BVNAIZZLDAJFEK-IAGOWNOFSA-N 0 0 401.507 4.119 20 5 HIBDRN COc1ccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000460658507 873402127 /nfs/dbraw/zinc/40/21/27/873402127.db2.gz 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HIBDRN CC(C)c1ccc(C[C@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000460961691 873858541 /nfs/dbraw/zinc/85/85/41/873858541.db2.gz WDRJMSPUYWFGMX-OAHLLOKOSA-N 0 0 408.545 4.252 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)OCCc2sccc21 ZINC000460982680 873873116 /nfs/dbraw/zinc/87/31/16/873873116.db2.gz TWZLNTAOYKEQIL-LJQANCHMSA-N 0 0 406.529 4.376 20 5 HIBDRN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CCc2c1cccc2[N+](=O)[O-] ZINC000461074369 873971077 /nfs/dbraw/zinc/97/10/77/873971077.db2.gz KQDGFRFPEAAGPE-UHFFFAOYSA-N 0 0 414.771 4.053 20 5 HIBDRN CC(C)CN(C(=O)[C@H]1C[C@@]12CCOC2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000461103101 874023538 /nfs/dbraw/zinc/02/35/38/874023538.db2.gz XTBFLZACKDAPMH-FOIQADDNSA-N 0 0 401.488 4.134 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@H]3c3ccccc3)n2C[C@@H]2CCCO2)cc1 ZINC000461129030 874062417 /nfs/dbraw/zinc/06/24/17/874062417.db2.gz MNMPHSVGNPGYQM-SFTDATJTSA-N 0 0 419.485 4.374 20 5 HIBDRN Cc1[nH]nc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)c1[N+](=O)[O-] ZINC000468656269 882791249 /nfs/dbraw/zinc/79/12/49/882791249.db2.gz UEYNUXRDPTYWMP-UHFFFAOYSA-N 0 0 413.821 4.093 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000461185833 874176387 /nfs/dbraw/zinc/17/63/87/874176387.db2.gz ADZWLDRMQSQTOQ-UHFFFAOYSA-N 0 0 408.483 4.482 20 5 HIBDRN O=C(NCc1ncc(-c2ccccc2)cn1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461189528 874183704 /nfs/dbraw/zinc/18/37/04/874183704.db2.gz CQUNYTOXMLSOKF-UHFFFAOYSA-N 0 0 402.332 4.001 20 5 HIBDRN Cc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(Br)c1 ZINC000461209625 874211579 /nfs/dbraw/zinc/21/15/79/874211579.db2.gz DUBFONQMPKPBFJ-UHFFFAOYSA-N 0 0 413.293 4.108 20 5 HIBDRN C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000461259388 874265376 /nfs/dbraw/zinc/26/53/76/874265376.db2.gz BZELDGIBNIZCED-INIZCTEOSA-N 0 0 405.454 4.112 20 5 HIBDRN CO[C@H]1CCOc2c(NC(=O)c3sc(Br)cc3[N+](=O)[O-])cccc21 ZINC000468685718 882811188 /nfs/dbraw/zinc/81/11/88/882811188.db2.gz ROVLQFUTRCVEEB-NSHDSACASA-N 0 0 413.249 4.141 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CC4(CCC4)[C@@H]3[C@H]3CCCO3)cc2[N+](=O)[O-])CC1 ZINC000461311627 874319457 /nfs/dbraw/zinc/31/94/57/874319457.db2.gz RPMBANSZJXFBQJ-RTWAWAEBSA-N 0 0 413.518 4.005 20 5 HIBDRN CSC[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1 ZINC000461326844 874337235 /nfs/dbraw/zinc/33/72/35/874337235.db2.gz YZEDHLBWQQSOEZ-MRXNPFEDSA-N 0 0 415.544 4.295 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(c1nnc(-c2ccccc2)n1C[C@@H]1CCOC1)C1CC1 ZINC000461362341 874364678 /nfs/dbraw/zinc/36/46/78/874364678.db2.gz NVEDRAOLVUCGHK-KRWDZBQOSA-N 0 0 419.485 4.059 20 5 HIBDRN Cn1cc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000468700146 882821024 /nfs/dbraw/zinc/82/10/24/882821024.db2.gz ONSQKPYTWOHWQM-HXUWFJFHSA-N 0 0 412.877 4.222 20 5 HIBDRN CC(C)(C)C[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 ZINC000461367803 874371222 /nfs/dbraw/zinc/37/12/22/874371222.db2.gz UODFBZDQQSSLHX-APWZRJJASA-N 0 0 413.522 4.295 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N(Cc3ccccc3)C3CC3)n2C[C@H]2CCOC2)c1 ZINC000461368984 874372181 /nfs/dbraw/zinc/37/21/81/874372181.db2.gz YSXQFBYYOJGUJK-GOSISDBHSA-N 0 0 419.485 4.059 20 5 HIBDRN CC[C@@H](c1nnc(Sc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)o1)c1ccccc1 ZINC000468705070 882822169 /nfs/dbraw/zinc/82/21/69/882822169.db2.gz AJWKXYWESSBZQO-CQSZACIVSA-N 0 0 419.484 4.074 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000461378412 874384676 /nfs/dbraw/zinc/38/46/76/874384676.db2.gz KJXKHBXMMWKMAI-AWEZNQCLSA-N 0 0 412.877 4.249 20 5 HIBDRN O=C([C@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461382163 874387374 /nfs/dbraw/zinc/38/73/74/874387374.db2.gz AKJPARROBCLQMN-GJZGRUSLSA-N 0 0 407.253 4.426 20 5 HIBDRN Cc1ccc(-c2nc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)cs2)c(C)c1 ZINC000461396926 874405840 /nfs/dbraw/zinc/40/58/40/874405840.db2.gz BXPJJNCAKLCYSV-UHFFFAOYSA-N 0 0 409.467 4.370 20 5 HIBDRN 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O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000462930036 875958052 /nfs/dbraw/zinc/95/80/52/875958052.db2.gz ARXPUSBGGKOGLV-QFIPXVFZSA-N 0 0 410.495 4.267 20 5 HIBDRN CS(=O)(=O)c1cccc([C@H](Nc2ccccc2[N+](=O)[O-])c2cc(F)ccc2F)c1 ZINC000462932883 875960071 /nfs/dbraw/zinc/96/00/71/875960071.db2.gz OHRCROIEGSMGTE-FQEVSTJZSA-N 0 0 418.421 4.478 20 5 HIBDRN CO[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1cccc(Cl)c1 ZINC000462932118 875960344 /nfs/dbraw/zinc/96/03/44/875960344.db2.gz JIWXJQJSYWMMGB-LJQANCHMSA-N 0 0 403.866 4.284 20 5 HIBDRN Cc1nc2sc3c(c2c(N2CCC(Oc4ccc([N+](=O)[O-])cc4)CC2)n1)CCC3 ZINC000462933851 875961214 /nfs/dbraw/zinc/96/12/14/875961214.db2.gz WYKDGNDVMYWJLT-UHFFFAOYSA-N 0 0 410.499 4.444 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000462934473 875961440 /nfs/dbraw/zinc/96/14/40/875961440.db2.gz GJRUFYGFYZBAMK-JOCHJYFZSA-N 0 0 414.527 4.164 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 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876500837 /nfs/dbraw/zinc/50/08/37/876500837.db2.gz OIKDJLFREOUDHY-HNNXBMFYSA-N 0 0 408.813 4.200 20 5 HIBDRN Cc1nn(C)c(Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1[N+](=O)[O-] ZINC000463499670 876558997 /nfs/dbraw/zinc/55/89/97/876558997.db2.gz SRQWJXNMJALXCZ-UHFFFAOYSA-N 0 0 403.801 4.425 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(-c3cscn3)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463547354 876631069 /nfs/dbraw/zinc/63/10/69/876631069.db2.gz NWOKKBZLHWOQSW-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2C(=O)COc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000463580087 876679450 /nfs/dbraw/zinc/67/94/50/876679450.db2.gz UZYFCDXBPIGWDF-GOSISDBHSA-N 0 0 402.422 4.265 20 5 HIBDRN O=C(CCc1cccc(C(F)(F)F)c1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000463641413 876761347 /nfs/dbraw/zinc/76/13/47/876761347.db2.gz RRTRKAAIAARGHH-UHFFFAOYSA-N 0 0 410.348 4.346 20 5 HIBDRN C[C@H](O)C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000468996487 883062416 /nfs/dbraw/zinc/06/24/16/883062416.db2.gz NDHHRWRYCOVUCW-WMLDXEAASA-N 0 0 411.483 4.003 20 5 HIBDRN C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463687104 876808427 /nfs/dbraw/zinc/80/84/27/876808427.db2.gz QIIRKCJUTSTZFS-LBPRGKRZSA-N 0 0 405.863 4.178 20 5 HIBDRN O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000463714045 876833495 /nfs/dbraw/zinc/83/34/95/876833495.db2.gz URCZDYHZKLGRAB-UHFFFAOYSA-N 0 0 406.446 4.148 20 5 HIBDRN CC(=O)N1CCC(CCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000463731678 876853148 /nfs/dbraw/zinc/85/31/48/876853148.db2.gz VRKUJUFNHMVDBK-UHFFFAOYSA-N 0 0 411.458 4.364 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCCC3)c3ccccc32)c2ncccc12 ZINC000463787190 876906137 /nfs/dbraw/zinc/90/61/37/876906137.db2.gz BKKQZUFUNWIHAN-UHFFFAOYSA-N 0 0 409.467 4.164 20 5 HIBDRN O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463831743 876950024 /nfs/dbraw/zinc/95/00/24/876950024.db2.gz UVHPZSBKMWYQPE-UHFFFAOYSA-N 0 0 411.311 4.132 20 5 HIBDRN CC(C)(C)c1csc(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000463868199 876990113 /nfs/dbraw/zinc/99/01/13/876990113.db2.gz QJDNNLJDWJBDJX-UHFFFAOYSA-N 0 0 401.410 4.340 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccc(SC)cc1 ZINC000463947988 877069972 /nfs/dbraw/zinc/06/99/72/877069972.db2.gz FSLWFLBPXQHFNP-KRWDZBQOSA-N 0 0 417.487 4.359 20 5 HIBDRN C[C@@H](C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000463954727 877076730 /nfs/dbraw/zinc/07/67/30/877076730.db2.gz KQOXIAAWDXUFPV-GFCCVEGCSA-N 0 0 415.247 4.285 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000463955502 877078597 /nfs/dbraw/zinc/07/85/97/877078597.db2.gz PJXAPOUHSQSIDZ-UHFFFAOYSA-N 0 0 413.474 4.229 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000463962122 877086702 /nfs/dbraw/zinc/08/67/02/877086702.db2.gz CZJJOTSHTUPVCY-QGZVFWFLSA-N 0 0 410.434 4.175 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC(=O)Nc1cccc(Cl)c1C 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Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000464202539 877371784 /nfs/dbraw/zinc/37/17/84/877371784.db2.gz BQOIPHVTVYVVRL-GOSISDBHSA-N 0 0 411.483 4.286 20 5 HIBDRN Cc1ccc([C@H]2C[C@@H](C)CCN2S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)o1 ZINC000464205248 877376014 /nfs/dbraw/zinc/37/60/14/877376014.db2.gz HMCSXXJMOBQWIF-SUMWQHHRSA-N 0 0 415.471 4.206 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000464226156 877400237 /nfs/dbraw/zinc/40/02/37/877400237.db2.gz DYDUAVQYHNBLSU-UHFFFAOYSA-N 0 0 412.833 4.400 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000464235728 877411750 /nfs/dbraw/zinc/41/17/50/877411750.db2.gz MCRFGGVDPLFYIW-LBPRGKRZSA-N 0 0 415.243 4.007 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000464248393 877426275 /nfs/dbraw/zinc/42/62/75/877426275.db2.gz HBYUVLBZWIZSIK-CYBMUJFWSA-N 0 0 405.435 4.439 20 5 HIBDRN CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000464279410 877465629 /nfs/dbraw/zinc/46/56/29/877465629.db2.gz WKFZNZQFXXRQIH-UHFFFAOYSA-N 0 0 406.467 4.327 20 5 HIBDRN CCOc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ncccc12 ZINC000464323980 877512655 /nfs/dbraw/zinc/51/26/55/877512655.db2.gz KBLPTSBIBJVDBJ-UHFFFAOYSA-N 0 0 406.442 4.394 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](C)c2nccs2)CC1 ZINC000464340081 877531050 /nfs/dbraw/zinc/53/10/50/877531050.db2.gz KLOIHNCIMOCARL-CQSZACIVSA-N 0 0 420.560 4.071 20 5 HIBDRN COCCn1c2ccccc2nc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000464348011 877539372 /nfs/dbraw/zinc/53/93/72/877539372.db2.gz JALNQFPROASANV-UHFFFAOYSA-N 0 0 414.487 4.344 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)c1C ZINC000464420287 877628354 /nfs/dbraw/zinc/62/83/54/877628354.db2.gz OVJBECSTBQSZAK-INIZCTEOSA-N 0 0 402.394 4.136 20 5 HIBDRN C[C@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000464424558 877635049 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DOSMRCXHWLXJHR-FQEVSTJZSA-N 0 0 419.503 4.291 20 5 HIBDRN Cc1ccc(C(=O)CCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000464632868 877850357 /nfs/dbraw/zinc/85/03/57/877850357.db2.gz QVSWWVFBEAAGCU-UHFFFAOYSA-N 0 0 410.470 4.245 20 5 HIBDRN Cc1ccc(SCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000464639724 877856523 /nfs/dbraw/zinc/85/65/23/877856523.db2.gz PHVJGUOXZQKLKE-UHFFFAOYSA-N 0 0 400.500 4.374 20 5 HIBDRN Cc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1cccc(C)c1 ZINC000464641280 877859175 /nfs/dbraw/zinc/85/91/75/877859175.db2.gz CKCSVICRERHFPO-UHFFFAOYSA-N 0 0 420.469 4.081 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(C)[C@@H](c2ccccc2Cl)C(C)C)cccc1[N+](=O)[O-] ZINC000503307808 912289164 /nfs/dbraw/zinc/28/91/64/912289164.db2.gz DKMWHQNOVAINBT-GOSISDBHSA-N 0 0 403.866 4.351 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccc(F)cc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464663341 877883326 /nfs/dbraw/zinc/88/33/26/877883326.db2.gz WNCIIGJSBFRRAW-RBUKOAKNSA-N 0 0 402.397 4.047 20 5 HIBDRN 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IGJGLJJXYXKCGL-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467140521 880883435 /nfs/dbraw/zinc/88/34/35/880883435.db2.gz FHEXDWPSOQWIRZ-UHFFFAOYSA-N 0 0 402.838 4.227 20 5 HIBDRN COc1ccc(C2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000467157864 880891385 /nfs/dbraw/zinc/89/13/85/880891385.db2.gz JZSBIWGOCWJXHJ-AWEZNQCLSA-N 0 0 417.893 4.463 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000467180464 880907663 /nfs/dbraw/zinc/90/76/63/880907663.db2.gz FSBIABSLQPKUPR-SGTLLEGYSA-N 0 0 424.284 4.302 20 5 HIBDRN CN(C[C@H]1CCCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467197019 880926730 /nfs/dbraw/zinc/92/67/30/880926730.db2.gz RMHWKCAOYFJLJZ-XLIONFOSSA-N 0 0 417.893 4.429 20 5 HIBDRN CC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1I)[C@H](C)CC ZINC000467206550 880935861 /nfs/dbraw/zinc/93/58/61/880935861.db2.gz LBSGXRMIJUENIU-GHMZBOCLSA-N 0 0 404.248 4.239 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000467212826 880941987 /nfs/dbraw/zinc/94/19/87/880941987.db2.gz AQNKILRULIDCKU-IFXJQAMLSA-N 0 0 403.866 4.215 20 5 HIBDRN O=C(NCCCCc1nc(-c2cccnc2)cs1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467255190 880987722 /nfs/dbraw/zinc/98/77/22/880987722.db2.gz ZFRCFVNIXLGFCK-UHFFFAOYSA-N 0 0 400.435 4.005 20 5 HIBDRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])cc1Br ZINC000503562389 912637713 /nfs/dbraw/zinc/63/77/13/912637713.db2.gz JXLIFFHZMZJGGN-KRWDZBQOSA-N 0 0 418.247 4.035 20 5 HIBDRN NC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000467319718 881065853 /nfs/dbraw/zinc/06/58/53/881065853.db2.gz MHKSIXUZPRNSSL-UHFFFAOYSA-N 0 0 411.801 4.392 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1[N+](=O)[O-] ZINC000467401075 881186274 /nfs/dbraw/zinc/18/62/74/881186274.db2.gz XZPJANMSVVWCQM-UHFFFAOYSA-N 0 0 421.475 4.063 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(O[C@H]2CCOC2)c1 ZINC000467427684 881218646 /nfs/dbraw/zinc/21/86/46/881218646.db2.gz MLDPJCNRMOWADX-HNNXBMFYSA-N 0 0 405.838 4.046 20 5 HIBDRN COc1cc(S(=O)(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)ccc1[N+](=O)[O-] ZINC000469057377 883130717 /nfs/dbraw/zinc/13/07/17/883130717.db2.gz SQPIBMHVNAUULH-HNNXBMFYSA-N 0 0 419.503 4.091 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2c(F)cccc2NC2CC2)cc1[N+](=O)[O-] ZINC000469060692 883135715 /nfs/dbraw/zinc/13/57/15/883135715.db2.gz VBASBLSORQVVQH-UHFFFAOYSA-N 0 0 405.451 4.189 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000469079211 883164400 /nfs/dbraw/zinc/16/44/00/883164400.db2.gz RYLYRRBYUQAEPF-ACJLOTCBSA-N 0 0 406.891 4.329 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000469078272 883164429 /nfs/dbraw/zinc/16/44/29/883164429.db2.gz PZIXBIVVYZEJJF-LBPRGKRZSA-N 0 0 422.279 4.269 20 5 HIBDRN CS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2Br)cc1Cl ZINC000503591779 912678055 /nfs/dbraw/zinc/67/80/55/912678055.db2.gz JRMKUFSKGQIEBM-UHFFFAOYSA-N 0 0 419.684 4.026 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CC[C@H](C)[C@@H](n4ccnc4)C3)c([N+](=O)[O-])c2)cc1 ZINC000469137211 883234189 /nfs/dbraw/zinc/23/41/89/883234189.db2.gz ZZUNORVUYDVFLS-JTSKRJEESA-N 0 0 419.485 4.440 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000469176105 883274499 /nfs/dbraw/zinc/27/44/99/883274499.db2.gz WWUIIEFBHFRIAW-UHFFFAOYSA-N 0 0 422.437 4.216 20 5 HIBDRN CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000469210815 883310816 /nfs/dbraw/zinc/31/08/16/883310816.db2.gz PYWCSVHRVMTRQE-UHFFFAOYSA-N 0 0 406.442 4.267 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cncc(F)c1 ZINC000469222603 883323542 /nfs/dbraw/zinc/32/35/42/883323542.db2.gz NBJUAIFSHYSHGA-UHFFFAOYSA-N 0 0 415.402 4.286 20 5 HIBDRN O=C(NCc1cc(F)c(Cl)cc1F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000469327669 883435788 /nfs/dbraw/zinc/43/57/88/883435788.db2.gz FTAPMZIJJYMGIV-UHFFFAOYSA-N 0 0 424.709 4.398 20 5 HIBDRN O=C(NCc1csc(=O)[nH]1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000469336552 883449782 /nfs/dbraw/zinc/44/97/82/883449782.db2.gz QPMBXYBISSQDJA-UHFFFAOYSA-N 0 0 421.887 4.492 20 5 HIBDRN COc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 ZINC000512374966 921113553 /nfs/dbraw/zinc/11/35/53/921113553.db2.gz JLNQZDQLCFCJQL-UHFFFAOYSA-N 0 0 421.453 4.024 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H](c1ccccc1)C2 ZINC000469469090 883693095 /nfs/dbraw/zinc/69/30/95/883693095.db2.gz RCSUVWPYFMOISK-QFIPXVFZSA-N 0 0 403.438 4.247 20 5 HIBDRN COC(=O)c1ccc(C(C)C)c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000469510178 883765810 /nfs/dbraw/zinc/76/58/10/883765810.db2.gz IQOWCTFVASVMGB-UHFFFAOYSA-N 0 0 423.425 4.071 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000503651729 912758480 /nfs/dbraw/zinc/75/84/80/912758480.db2.gz VQVMTPPMLQYAJG-LBPRGKRZSA-N 0 0 405.376 4.385 20 5 HIBDRN CCOc1cc(C(=O)NCc2cccc(C)c2Br)c([N+](=O)[O-])cc1OC ZINC000469863915 884053769 /nfs/dbraw/zinc/05/37/69/884053769.db2.gz ISQIVKOFZSGJCB-UHFFFAOYSA-N 0 0 423.263 4.003 20 5 HIBDRN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC[C@H]1C ZINC000469876751 884067135 /nfs/dbraw/zinc/06/71/35/884067135.db2.gz ZDGDYPIOXOHMGJ-JLTOFOAXSA-N 0 0 417.893 4.357 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)s1 ZINC000469895676 884086113 /nfs/dbraw/zinc/08/61/13/884086113.db2.gz GFGSVXGKUGKQES-UHFFFAOYSA-N 0 0 413.434 4.387 20 5 HIBDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000469893775 884086313 /nfs/dbraw/zinc/08/63/13/884086313.db2.gz QRMWVVWJPBKZJL-UHFFFAOYSA-N 0 0 405.332 4.106 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccccc2-n2nc(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000503680059 912787378 /nfs/dbraw/zinc/78/73/78/912787378.db2.gz LAUDGFHTKZSKSG-UHFFFAOYSA-N 0 0 410.430 4.057 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc([N+](=O)[O-])c1OC ZINC000470020563 884236640 /nfs/dbraw/zinc/23/66/40/884236640.db2.gz YTTIMTLAZNQEOF-AWEZNQCLSA-N 0 0 407.426 4.165 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2 ZINC000470043910 884285188 /nfs/dbraw/zinc/28/51/88/884285188.db2.gz JAJNKIUIJTYMEV-UHFFFAOYSA-N 0 0 407.451 4.332 20 5 HIBDRN CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000470115478 884375704 /nfs/dbraw/zinc/37/57/04/884375704.db2.gz ZEPIVXNWHIIHMQ-HZPDHXFCSA-N 0 0 414.220 4.163 20 5 HIBDRN O=C(NCc1cccc(NC(=O)c2ccccc2)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470117252 884378592 /nfs/dbraw/zinc/37/85/92/884378592.db2.gz KIHQORQZCXZBTM-UHFFFAOYSA-N 0 0 408.389 4.308 20 5 HIBDRN O=C(Nc1cc(F)ccc1OC(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000470138279 884403796 /nfs/dbraw/zinc/40/37/96/884403796.db2.gz OQASETGCBOCCMQ-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN Cn1ccnc1[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000470144259 884410126 /nfs/dbraw/zinc/41/01/26/884410126.db2.gz ZAPCBSUOHPWRGM-MRXNPFEDSA-N 0 0 403.801 4.032 20 5 HIBDRN C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000470145076 884412637 /nfs/dbraw/zinc/41/26/37/884412637.db2.gz QOEYTEOJCFQMDW-ZDUSSCGKSA-N 0 0 423.404 4.264 20 5 HIBDRN CCOc1cc(NC(=O)NC[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1OCC ZINC000503783916 912823513 /nfs/dbraw/zinc/82/35/13/912823513.db2.gz ROHBGGBGWYELHD-GFCCVEGCSA-N 0 0 401.410 4.339 20 5 HIBDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000470186845 884477487 /nfs/dbraw/zinc/47/74/87/884477487.db2.gz UTWBESMEZZEGCG-UHFFFAOYSA-N 0 0 400.435 4.018 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[C@@H]1c1ccccc1 ZINC000470192007 884494269 /nfs/dbraw/zinc/49/42/69/884494269.db2.gz ZIUMBXKYHGKXFZ-VGSWGCGISA-N 0 0 404.470 4.436 20 5 HIBDRN Cc1csc(Oc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2F)n1 ZINC000470266533 884616719 /nfs/dbraw/zinc/61/67/19/884616719.db2.gz ZNXATCJIIZSZRQ-UHFFFAOYSA-N 0 0 423.447 4.400 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CCO[C@@]4(CCOC4)C3)cc2[N+](=O)[O-])cc1 ZINC000470331119 884715534 /nfs/dbraw/zinc/71/55/34/884715534.db2.gz UYEBQUSWKUCCCX-NRFANRHFSA-N 0 0 400.500 4.046 20 5 HIBDRN CO[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(F)(F)F ZINC000470331870 884716122 /nfs/dbraw/zinc/71/61/22/884716122.db2.gz ZUAFDZNYIZFYIF-MRXNPFEDSA-N 0 0 414.405 4.443 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCC[C@H]3c3nncn3C)cc2[N+](=O)[O-])cc1 ZINC000503895972 912854895 /nfs/dbraw/zinc/85/48/95/912854895.db2.gz YNTGDQBQFJMCLO-KRWDZBQOSA-N 0 0 423.498 4.160 20 5 HIBDRN CO[C@@H](CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(F)(F)F ZINC000470354983 884748579 /nfs/dbraw/zinc/74/85/79/884748579.db2.gz MWSVPXZDCBQTJS-INIZCTEOSA-N 0 0 413.352 4.476 20 5 HIBDRN Cc1ccc(-c2cnc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)s2)c(C)c1 ZINC000470356772 884750183 /nfs/dbraw/zinc/75/01/83/884750183.db2.gz KSYLGQSXMLZZKO-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470372674 884770002 /nfs/dbraw/zinc/77/00/02/884770002.db2.gz LYULZLOKYLHLBC-NSHDSACASA-N 0 0 403.822 4.396 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000470386596 884788587 /nfs/dbraw/zinc/78/85/87/884788587.db2.gz KDJDOTDGVUAPGG-NSHDSACASA-N 0 0 403.822 4.396 20 5 HIBDRN CCc1ccc(C(=O)N2CCN(c3cccc4cnccc43)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000470405950 884810379 /nfs/dbraw/zinc/81/03/79/884810379.db2.gz AJVJAMYLPYOKID-INIZCTEOSA-N 0 0 404.470 4.056 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CN[C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000470527561 884922042 /nfs/dbraw/zinc/92/20/42/884922042.db2.gz HUJHZOWLORCULB-QGZVFWFLSA-N 0 0 419.254 4.109 20 5 HIBDRN CSc1cccc([C@H](NCc2c([N+](=O)[O-])ncn2C)c2cc(F)ccc2F)c1 ZINC000470565879 884983377 /nfs/dbraw/zinc/98/33/77/884983377.db2.gz VFMPEKMDOPGROT-SFHVURJKSA-N 0 0 404.442 4.208 20 5 HIBDRN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1nc(C(F)(F)F)cs1 ZINC000470573004 884989570 /nfs/dbraw/zinc/98/95/70/884989570.db2.gz DHOGQCINIDMJPL-MRVPVSSYSA-N 0 0 405.373 4.364 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)cc2)cs1 ZINC000470612319 885038215 /nfs/dbraw/zinc/03/82/15/885038215.db2.gz MVVVKJVQRMCFLR-UHFFFAOYSA-N 0 0 410.455 4.322 20 5 HIBDRN CN(C)C(=O)c1ccnc(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000470654213 885076851 /nfs/dbraw/zinc/07/68/51/885076851.db2.gz OMPDOSRWPZJZLR-UHFFFAOYSA-N 0 0 405.458 4.072 20 5 HIBDRN CCC1(CC)CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000470659040 885083377 /nfs/dbraw/zinc/08/33/77/885083377.db2.gz KVUXHZHRWVXNFS-OAHLLOKOSA-N 0 0 407.536 4.080 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)c1 ZINC000470664727 885091868 /nfs/dbraw/zinc/09/18/68/885091868.db2.gz ASCKPURZEAAZBM-UHFFFAOYSA-N 0 0 400.431 4.130 20 5 HIBDRN COc1ccc(-c2nc(CC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cs2)cc1OC ZINC000470697221 885134793 /nfs/dbraw/zinc/13/47/93/885134793.db2.gz NTMWXJZLBRTSJJ-UHFFFAOYSA-N 0 0 417.418 4.056 20 5 HIBDRN C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](c2ccsc2)O1 ZINC000470696460 885134893 /nfs/dbraw/zinc/13/48/93/885134893.db2.gz XJIXCHMOIDJXPP-SJKOYZFVSA-N 0 0 415.496 4.382 20 5 HIBDRN C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](c2ccsc2)O1 ZINC000470706094 885143721 /nfs/dbraw/zinc/14/37/21/885143721.db2.gz CROZHCFTUOPTNP-SJCJKPOMSA-N 0 0 415.496 4.382 20 5 HIBDRN CCOc1c(Br)cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1OC ZINC000470704925 885143859 /nfs/dbraw/zinc/14/38/59/885143859.db2.gz LKHAILACUNXUMC-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN Cc1ccc(-n2ncc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2C(F)(F)F)cc1 ZINC000470706701 885145281 /nfs/dbraw/zinc/14/52/81/885145281.db2.gz HQZCXBCMVOHQCN-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000470709813 885148814 /nfs/dbraw/zinc/14/88/14/885148814.db2.gz NOLBCKPYZAOBDN-UHFFFAOYSA-N 0 0 420.141 4.212 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000470735380 885189502 /nfs/dbraw/zinc/18/95/02/885189502.db2.gz FMLIHHSTTFOKFA-BMIGLBTASA-N 0 0 411.277 4.021 20 5 HIBDRN C[C@H](Cc1ccccc1Br)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000470739546 885197864 /nfs/dbraw/zinc/19/78/64/885197864.db2.gz BZGDTXMFPXHDES-LLVKDONJSA-N 0 0 411.683 4.301 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000470742219 885204957 /nfs/dbraw/zinc/20/49/57/885204957.db2.gz ACKDGBLJZRFBFC-NSHDSACASA-N 0 0 404.373 4.229 20 5 HIBDRN COc1cc(OCC(=O)NC2(c3c(Cl)cccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000470753927 885220210 /nfs/dbraw/zinc/22/02/10/885220210.db2.gz DQDRLPFLGSORKG-UHFFFAOYSA-N 0 0 411.241 4.095 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000470808661 885297219 /nfs/dbraw/zinc/29/72/19/885297219.db2.gz RUZYXIUBVBQPLZ-UHFFFAOYSA-N 0 0 412.877 4.416 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ncn(Cc3cc(Br)cc4cccnc43)n2)cc1 ZINC000470819536 885305825 /nfs/dbraw/zinc/30/58/25/885305825.db2.gz HMNQHACCYZXOHB-UHFFFAOYSA-N 0 0 410.231 4.212 20 5 HIBDRN CCCOc1ccc([C@H](C)NC(=O)c2c(OCC)cccc2[N+](=O)[O-])cc1OC ZINC000470830632 885319695 /nfs/dbraw/zinc/31/96/95/885319695.db2.gz IYDVKPQLQRXQDD-AWEZNQCLSA-N 0 0 402.447 4.282 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000470839811 885333714 /nfs/dbraw/zinc/33/37/14/885333714.db2.gz GJVBGLJJORMRTN-UHFFFAOYSA-N 0 0 409.398 4.400 20 5 HIBDRN CC[C@H](C)Cc1c(C)sc2[nH]c(SCCn3cc([N+](=O)[O-])cn3)nc(=O)c12 ZINC000470856537 885352259 /nfs/dbraw/zinc/35/22/59/885352259.db2.gz XXVAVGGHOCKVOD-JTQLQIEISA-N 0 0 407.521 4.191 20 5 HIBDRN CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470881170 885372186 /nfs/dbraw/zinc/37/21/86/885372186.db2.gz WDUDZJKLYINGIU-QGZVFWFLSA-N 0 0 422.485 4.467 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCSCC2)cc1C ZINC000470889607 885385917 /nfs/dbraw/zinc/38/59/17/885385917.db2.gz RZDCLQNJUMEEEG-UHFFFAOYSA-N 0 0 401.488 4.107 20 5 HIBDRN O=C([C@H]1CCN(CC(F)(F)F)C1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000470984611 885487063 /nfs/dbraw/zinc/48/70/63/885487063.db2.gz RPGJFZORLZHFSH-INIZCTEOSA-N 0 0 407.392 4.012 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000471053093 885567384 /nfs/dbraw/zinc/56/73/84/885567384.db2.gz MVJSROPHSGQUIZ-UHFFFAOYSA-N 0 0 412.364 4.002 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000471129242 885667060 /nfs/dbraw/zinc/66/70/60/885667060.db2.gz MUEZCASSPLUDCB-QFBILLFUSA-N 0 0 402.422 4.125 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1=CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000471158071 885709234 /nfs/dbraw/zinc/70/92/34/885709234.db2.gz WRCBENDWUYRTOP-UHFFFAOYSA-N 0 0 416.481 4.063 20 5 HIBDRN CCCOc1cc(NC(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCCC ZINC000471170601 885727704 /nfs/dbraw/zinc/72/77/04/885727704.db2.gz VWTAJTWBLRGGGU-VLIAUNLRSA-N 0 0 421.494 4.204 20 5 HIBDRN CN(C(=O)CN(CCc1ccccc1)c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000471173802 885733756 /nfs/dbraw/zinc/73/37/56/885733756.db2.gz UCOCIBWKRNRIAC-UHFFFAOYSA-N 0 0 405.454 4.013 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCSc3ccc(F)cc32)cc1OC ZINC000471237316 885813080 /nfs/dbraw/zinc/81/30/80/885813080.db2.gz ARPMWCCWEICHJH-UHFFFAOYSA-N 0 0 406.435 4.284 20 5 HIBDRN CC(C)Oc1cc(Br)cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000471262643 885840697 /nfs/dbraw/zinc/84/06/97/885840697.db2.gz YFPOJVSTBTYKOB-UHFFFAOYSA-N 0 0 407.264 4.417 20 5 HIBDRN COCCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000471313262 885903783 /nfs/dbraw/zinc/90/37/83/885903783.db2.gz GHHLZKMVIBHLQC-INIZCTEOSA-N 0 0 421.291 4.125 20 5 HIBDRN Cc1nn(C)c(C(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000471319733 885910653 /nfs/dbraw/zinc/91/06/53/885910653.db2.gz IODQUCKDPXDIQJ-OAHLLOKOSA-N 0 0 410.396 4.413 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(F)cc1OCC(F)(F)F ZINC000504093546 913004107 /nfs/dbraw/zinc/00/41/07/913004107.db2.gz LFDVCJHLUQZWRZ-UHFFFAOYSA-N 0 0 401.316 4.034 20 5 HIBDRN COc1ccc(OCCS[C@H](C)c2cn(-c3ccccc3)nn2)c([N+](=O)[O-])c1 ZINC000471429733 886086260 /nfs/dbraw/zinc/08/62/60/886086260.db2.gz ZCPBSDCKACIMAD-CQSZACIVSA-N 0 0 400.460 4.057 20 5 HIBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(-c2ccccc2)ccc1Cl ZINC000471446294 886114451 /nfs/dbraw/zinc/11/44/51/886114451.db2.gz GYKRBFMNPZKAKT-UHFFFAOYSA-N 0 0 423.812 4.462 20 5 HIBDRN Cc1nn(CCC(=O)Nc2cccc(COc3ccccc3)c2C)c(C)c1[N+](=O)[O-] ZINC000471447436 886116966 /nfs/dbraw/zinc/11/69/66/886116966.db2.gz SGMDXYVZQYLKIG-UHFFFAOYSA-N 0 0 408.458 4.324 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000471457791 886133967 /nfs/dbraw/zinc/13/39/67/886133967.db2.gz BKFFWCOENFUJCC-UHFFFAOYSA-N 0 0 411.405 4.102 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000471458347 886135885 /nfs/dbraw/zinc/13/58/85/886135885.db2.gz LBFBUSQCGUASPY-VQIMIIECSA-N 0 0 414.527 4.316 20 5 HIBDRN COC[C@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000471486527 886183807 /nfs/dbraw/zinc/18/38/07/886183807.db2.gz AUBWDQILFWFENJ-BEFAXECRSA-N 0 0 424.457 4.182 20 5 HIBDRN O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000471509817 886210733 /nfs/dbraw/zinc/21/07/33/886210733.db2.gz BZQIHYRWBZOJSZ-UYAOXDASSA-N 0 0 411.477 4.403 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000471515246 886218322 /nfs/dbraw/zinc/21/83/22/886218322.db2.gz ITWSJBDPPWPJDZ-BBRMVZONSA-N 0 0 421.266 4.491 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)OC(C)C ZINC000471539854 886246524 /nfs/dbraw/zinc/24/65/24/886246524.db2.gz MHRXLEQYKMCVEU-SFHVURJKSA-N 0 0 424.400 4.101 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])OC(C)C ZINC000471574320 886286172 /nfs/dbraw/zinc/28/61/72/886286172.db2.gz NALCQFZENWTXNZ-IBGZPJMESA-N 0 0 404.488 4.221 20 5 HIBDRN COc1cc(C(=O)N(C)Cc2cc3ccccc3o2)c([N+](=O)[O-])cc1OC(F)F ZINC000471577526 886289785 /nfs/dbraw/zinc/28/97/85/886289785.db2.gz KIODPNHZXYXQHG-UHFFFAOYSA-N 0 0 406.341 4.223 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC000471672363 886383909 /nfs/dbraw/zinc/38/39/09/886383909.db2.gz VJCBJCHMYQAFPZ-CYBMUJFWSA-N 0 0 401.463 4.065 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)cc1C ZINC000471681090 886389410 /nfs/dbraw/zinc/38/94/10/886389410.db2.gz UPHGPUUXIHNXQS-UHFFFAOYSA-N 0 0 411.439 4.374 20 5 HIBDRN CCCOc1ccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c(OC(F)F)c1 ZINC000471740452 886463022 /nfs/dbraw/zinc/46/30/22/886463022.db2.gz XESZTWOOLPGGDH-UHFFFAOYSA-N 0 0 421.400 4.482 20 5 HIBDRN CCc1ccc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000471799083 886534984 /nfs/dbraw/zinc/53/49/84/886534984.db2.gz PAWHTGGOXUNZLE-UHFFFAOYSA-N 0 0 410.449 4.391 20 5 HIBDRN CCc1c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(OC)cc1 ZINC000471848858 886615017 /nfs/dbraw/zinc/61/50/17/886615017.db2.gz VTOIEJIAKCXWIS-UHFFFAOYSA-N 0 0 422.485 4.104 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2ncccc12)NCCc1cccc(Cl)c1Cl ZINC000471870503 886648702 /nfs/dbraw/zinc/64/87/02/886648702.db2.gz MRSWGXQUVIAQPB-UHFFFAOYSA-N 0 0 420.252 4.188 20 5 HIBDRN CCCCOc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000471880549 886661097 /nfs/dbraw/zinc/66/10/97/886661097.db2.gz AFNWTQRGMZGLLT-UHFFFAOYSA-N 0 0 409.442 4.017 20 5 HIBDRN CN(CC1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000504188224 913071790 /nfs/dbraw/zinc/07/17/90/913071790.db2.gz UIJSYEFFBRPUQM-UHFFFAOYSA-N 0 0 417.893 4.359 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000471937684 886735830 /nfs/dbraw/zinc/73/58/30/886735830.db2.gz UILBIXKUWCRZBK-LPHOPBHVSA-N 0 0 404.417 4.057 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](OCc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000471976489 886806793 /nfs/dbraw/zinc/80/67/93/886806793.db2.gz FTTWONIWBNEAHL-LPHOPBHVSA-N 0 0 415.465 4.494 20 5 HIBDRN COc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000472039326 886857990 /nfs/dbraw/zinc/85/79/90/886857990.db2.gz SLDFXLOFKDYPCG-LJQANCHMSA-N 0 0 409.442 4.374 20 5 HIBDRN COCCC1(CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CCC1 ZINC000472181839 886980739 /nfs/dbraw/zinc/98/07/39/886980739.db2.gz JPDIFIAVCBYGBA-CALCHBBNSA-N 0 0 403.523 4.014 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccccc1-c1ccc(Cl)cc1Cl ZINC000472225354 887029700 /nfs/dbraw/zinc/02/97/00/887029700.db2.gz PNIGXKQRFIUDKI-UHFFFAOYSA-N 0 0 419.268 4.472 20 5 HIBDRN Cc1sc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000504243335 913110286 /nfs/dbraw/zinc/11/02/86/913110286.db2.gz IFZTYTVFUGADKX-GFCCVEGCSA-N 0 0 410.455 4.103 20 5 HIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000472337118 887172965 /nfs/dbraw/zinc/17/29/65/887172965.db2.gz OMQNGDYZUKRHEP-UHFFFAOYSA-N 0 0 401.304 4.062 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000472341332 887176932 /nfs/dbraw/zinc/17/69/32/887176932.db2.gz GMEIPTKLUGNIOF-UHFFFAOYSA-N 0 0 420.513 4.292 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1 ZINC000472364441 887200861 /nfs/dbraw/zinc/20/08/61/887200861.db2.gz AFTLOCBTYMSTJY-LBPRGKRZSA-N 0 0 405.414 4.180 20 5 HIBDRN C[C@H](Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000472364782 887201093 /nfs/dbraw/zinc/20/10/93/887201093.db2.gz DUWHGNDPRTUYDB-AWEZNQCLSA-N 0 0 407.417 4.202 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ncc(C(C)(C)C)o3)cc2[N+](=O)[O-])C1 ZINC000472394371 887241164 /nfs/dbraw/zinc/24/11/64/887241164.db2.gz BHZHHOMWRIKZSA-GJZGRUSLSA-N 0 0 414.506 4.293 20 5 HIBDRN Cc1ccc(-n2nc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)c3c2CCC3)cc1 ZINC000504265639 913127828 /nfs/dbraw/zinc/12/78/28/913127828.db2.gz FARWZEPSRHXSFJ-OAHLLOKOSA-N 0 0 402.454 4.169 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc(SC)ccc3[N+](=O)[O-])n2)cc1 ZINC000472416002 887264634 /nfs/dbraw/zinc/26/46/34/887264634.db2.gz OKUCIPJFUZSBGV-LBPRGKRZSA-N 0 0 412.471 4.420 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)ccc1F ZINC000472419794 887267481 /nfs/dbraw/zinc/26/74/81/887267481.db2.gz YUTYFMABPAKQDG-NSHDSACASA-N 0 0 409.377 4.065 20 5 HIBDRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000472534440 887407842 /nfs/dbraw/zinc/40/78/42/887407842.db2.gz BSOJEJPEGJFIIF-OCCSQVGLSA-N 0 0 410.348 4.373 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCc2c(F)ccc(F)c21 ZINC000472554293 887438359 /nfs/dbraw/zinc/43/83/59/887438359.db2.gz AFUMXEPWCDTLNY-UHFFFAOYSA-N 0 0 401.413 4.069 20 5 HIBDRN O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472569624 887456885 /nfs/dbraw/zinc/45/68/85/887456885.db2.gz ZONWPBFWMAXYJV-UHFFFAOYSA-N 0 0 421.428 4.011 20 5 HIBDRN Cc1ccccc1Oc1ccccc1CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472604488 887475169 /nfs/dbraw/zinc/47/51/69/887475169.db2.gz GPCHAKZODFGEOX-UHFFFAOYSA-N 0 0 423.400 4.090 20 5 HIBDRN Cc1ccc(Oc2ccccc2CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000472609354 887478211 /nfs/dbraw/zinc/47/82/11/887478211.db2.gz QNUXKSCZPHPXCG-UHFFFAOYSA-N 0 0 423.400 4.090 20 5 HIBDRN O=C(CN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000472609601 887479986 /nfs/dbraw/zinc/47/99/86/887479986.db2.gz CCCIGOJSQFVDFG-HXUWFJFHSA-N 0 0 405.458 4.151 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000472636965 887501414 /nfs/dbraw/zinc/50/14/14/887501414.db2.gz LDGAAAZGQPCNNZ-UHFFFAOYSA-N 0 0 421.428 4.232 20 5 HIBDRN Cc1noc(C)c1COc1ccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000504304122 913155400 /nfs/dbraw/zinc/15/54/00/913155400.db2.gz MJUCJQANFMNZSO-AWEZNQCLSA-N 0 0 421.453 4.299 20 5 HIBDRN CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](COC)Cc1ccccc1 ZINC000472693182 887546721 /nfs/dbraw/zinc/54/67/21/887546721.db2.gz NFOQCMFMYZCUER-MRXNPFEDSA-N 0 0 423.416 4.308 20 5 HIBDRN Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2)c1 ZINC000472718185 887565150 /nfs/dbraw/zinc/56/51/50/887565150.db2.gz ZKYSIWYOXPDVFC-UHFFFAOYSA-N 0 0 423.400 4.199 20 5 HIBDRN O=C(Nc1ccc(OCC2CCCCC2)cc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472726647 887574498 /nfs/dbraw/zinc/57/44/98/887574498.db2.gz KRJRZXFKMWKWKK-UHFFFAOYSA-N 0 0 415.421 4.270 20 5 HIBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCCC2(CC2)C1 ZINC000472748650 887593902 /nfs/dbraw/zinc/59/39/02/887593902.db2.gz HZIDUSVYOQRCIJ-UHFFFAOYSA-N 0 0 411.424 4.233 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000472765371 887611624 /nfs/dbraw/zinc/61/16/24/887611624.db2.gz DSUQFHUFMOGMGA-UHFFFAOYSA-N 0 0 414.892 4.016 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000504318242 913163150 /nfs/dbraw/zinc/16/31/50/913163150.db2.gz KYJXKJSYSPUYNR-ZDUSSCGKSA-N 0 0 408.433 4.057 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])OC(C)C ZINC000472797939 887642748 /nfs/dbraw/zinc/64/27/48/887642748.db2.gz ZVNZLKMEEMYXJZ-QRWLVFNGSA-N 0 0 401.463 4.130 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])nn1CCCOc1ccc(F)cc1 ZINC000504325616 913168193 /nfs/dbraw/zinc/16/81/93/913168193.db2.gz SRMTYUSIIPXZIQ-UHFFFAOYSA-N 0 0 412.421 4.269 20 5 HIBDRN Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000472845762 887700368 /nfs/dbraw/zinc/70/03/68/887700368.db2.gz GCASHCXWDOASPR-MRXNPFEDSA-N 0 0 416.441 4.147 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccccn2)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000472860226 887715027 /nfs/dbraw/zinc/71/50/27/887715027.db2.gz SZJJALNJLXMPLL-UHFFFAOYSA-N 0 0 409.389 4.041 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1I)c1csc([N+](=O)[O-])c1 ZINC000472922566 887769217 /nfs/dbraw/zinc/76/92/17/887769217.db2.gz OCQNZUPQMAVVLY-UHFFFAOYSA-N 0 0 408.604 4.167 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000473036512 887859361 /nfs/dbraw/zinc/85/93/61/887859361.db2.gz PDSICNPUBJOREO-CYBMUJFWSA-N 0 0 401.513 4.390 20 5 HIBDRN O=C(c1cc2sccc2s1)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000473039400 887862276 /nfs/dbraw/zinc/86/22/76/887862276.db2.gz WNVOETDWBCECNA-UHFFFAOYSA-N 0 0 421.931 4.482 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000504354220 913189788 /nfs/dbraw/zinc/18/97/88/913189788.db2.gz WDTVCASTLCDEES-LSJNQWAISA-N 0 0 413.518 4.128 20 5 HIBDRN COC1CCC(C)(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000473289675 888043751 /nfs/dbraw/zinc/04/37/51/888043751.db2.gz YKGIJEAPJYBGJR-UHFFFAOYSA-N 0 0 414.452 4.285 20 5 HIBDRN Cc1sc2ncnc(SCCC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2c1C ZINC000473346634 888075323 /nfs/dbraw/zinc/07/53/23/888075323.db2.gz DTKFKDDEFXFPDP-UHFFFAOYSA-N 0 0 406.464 4.476 20 5 HIBDRN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000473396009 888109158 /nfs/dbraw/zinc/10/91/58/888109158.db2.gz PCMMEOICXXREIN-VFZGTOFNSA-N 0 0 410.342 4.372 20 5 HIBDRN Cc1cccc2[nH]cc(CC(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])c21 ZINC000504387774 913212132 /nfs/dbraw/zinc/21/21/32/913212132.db2.gz LOLNSFPENVKGNC-LJQANCHMSA-N 0 0 423.469 4.126 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000504389821 913213790 /nfs/dbraw/zinc/21/37/90/913213790.db2.gz ZMNKVYQLUKYINW-AWEZNQCLSA-N 0 0 422.510 4.399 20 5 HIBDRN COc1ccccc1NC(=O)C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473513362 888244373 /nfs/dbraw/zinc/24/43/73/888244373.db2.gz MOFNVHQJAMAHIB-UHFFFAOYSA-N 0 0 406.442 4.007 20 5 HIBDRN O=C(CCc1ccccc1)N1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473521656 888257087 /nfs/dbraw/zinc/25/70/87/888257087.db2.gz RDYRRIOADLUEPO-UHFFFAOYSA-N 0 0 404.470 4.179 20 5 HIBDRN Cc1cc(NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c(Br)cc1[N+](=O)[O-] ZINC000473522754 888258467 /nfs/dbraw/zinc/25/84/67/888258467.db2.gz UIIHYRRTGDDVCC-OAHLLOKOSA-N 0 0 418.291 4.126 20 5 HIBDRN COc1cccc(OC)c1OC1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473526169 888263972 /nfs/dbraw/zinc/26/39/72/888263972.db2.gz XTVHTPQNONVSAZ-UHFFFAOYSA-N 0 0 409.442 4.208 20 5 HIBDRN Cc1cc(NC2CCN(C(=O)CC(F)(F)F)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473527253 888265387 /nfs/dbraw/zinc/26/53/87/888265387.db2.gz RSJFVZAHJMSBKU-UHFFFAOYSA-N 0 0 424.217 4.021 20 5 HIBDRN Cc1c(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cccc1NC(=O)N(C)C ZINC000473551833 888289274 /nfs/dbraw/zinc/28/92/74/888289274.db2.gz NNVLORMLHOUXKO-UHFFFAOYSA-N 0 0 414.465 4.336 20 5 HIBDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000473558180 888297234 /nfs/dbraw/zinc/29/72/34/888297234.db2.gz YALYUFGAKOHZRC-GMYLUUGSSA-N 0 0 402.516 4.463 20 5 HIBDRN O=C(NCc1ncccc1O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000473630374 888370272 /nfs/dbraw/zinc/37/02/72/888370272.db2.gz NOPVWEVPKFUVMW-UHFFFAOYSA-N 0 0 415.858 4.430 20 5 HIBDRN COC(=O)CSCc1cccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000473630520 888370772 /nfs/dbraw/zinc/37/07/72/888370772.db2.gz SDFQYWNPJPCZIO-UHFFFAOYSA-N 0 0 402.472 4.377 20 5 HIBDRN O=C(NCc1ncccc1O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000473638017 888381102 /nfs/dbraw/zinc/38/11/02/888381102.db2.gz XRIANIQEYWQTMF-UHFFFAOYSA-N 0 0 415.858 4.430 20 5 HIBDRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000473643160 888388519 /nfs/dbraw/zinc/38/85/19/888388519.db2.gz NIPVBEAHODMYEV-UHFFFAOYSA-N 0 0 405.476 4.122 20 5 HIBDRN O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc([N+](=O)[O-])cc1Br ZINC000473651224 888399164 /nfs/dbraw/zinc/39/91/64/888399164.db2.gz JPMVCLXOOITALD-UHFFFAOYSA-N 0 0 423.173 4.278 20 5 HIBDRN Cc1cc(NC(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000473771708 888570398 /nfs/dbraw/zinc/57/03/98/888570398.db2.gz FOULMKXUTQQQNS-IERDGZPVSA-N 0 0 413.474 4.350 20 5 HIBDRN Cc1cc(NC(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000473772346 888572067 /nfs/dbraw/zinc/57/20/67/888572067.db2.gz JWBORLHEWLTPBJ-KRWDZBQOSA-N 0 0 407.373 4.110 20 5 HIBDRN Cc1cc(NC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] ZINC000473778035 888580808 /nfs/dbraw/zinc/58/08/08/888580808.db2.gz JGIFWYXDMQGZKH-LLVKDONJSA-N 0 0 401.810 4.489 20 5 HIBDRN Cc1cc(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000473778917 888582818 /nfs/dbraw/zinc/58/28/18/888582818.db2.gz WOUQOMZDOJWMMM-QGZVFWFLSA-N 0 0 420.263 4.271 20 5 HIBDRN Cc1cc(NC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000473788205 888599635 /nfs/dbraw/zinc/59/96/35/888599635.db2.gz PUQCNBGJTXEIRU-OAHLLOKOSA-N 0 0 419.441 4.433 20 5 HIBDRN Cc1cc(NC(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)ccc1[N+](=O)[O-] ZINC000473790508 888604634 /nfs/dbraw/zinc/60/46/34/888604634.db2.gz VNEGLWSVUCVHNO-UHFFFAOYSA-N 0 0 417.425 4.145 20 5 HIBDRN COc1cccc(OC)c1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000473793504 888609240 /nfs/dbraw/zinc/60/92/40/888609240.db2.gz VSHUQANYWNTDML-UHFFFAOYSA-N 0 0 416.377 4.362 20 5 HIBDRN COc1cc(C(=O)NCc2[nH]cnc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000473961516 888832434 /nfs/dbraw/zinc/83/24/34/888832434.db2.gz BTTVKWCRVKYEKS-UHFFFAOYSA-N 0 0 416.821 4.011 20 5 HIBDRN O=C(Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1)N1CCc2ccccc21 ZINC000504505987 913295715 /nfs/dbraw/zinc/29/57/15/913295715.db2.gz KBYZHHBQPQATOM-UHFFFAOYSA-N 0 0 419.412 4.118 20 5 HIBDRN COCc1cc([N+](=O)[O-])ccc1NCc1cc(Br)c(OC)c(OC)c1 ZINC000474143911 888969643 /nfs/dbraw/zinc/96/96/43/888969643.db2.gz GOQMHIKRVPVADD-UHFFFAOYSA-N 0 0 411.252 4.133 20 5 HIBDRN Cn1c(COc2ccc(Cl)cc2)nnc1SCc1c(F)cccc1[N+](=O)[O-] ZINC000504507046 913297212 /nfs/dbraw/zinc/29/72/12/913297212.db2.gz FRYCKTKTBHSNKA-UHFFFAOYSA-N 0 0 408.842 4.387 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000474237974 889083548 /nfs/dbraw/zinc/08/35/48/889083548.db2.gz WJNSICDXXNHOCJ-KRWDZBQOSA-N 0 0 422.441 4.261 20 5 HIBDRN Cc1ccc(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Br ZINC000474239351 889085098 /nfs/dbraw/zinc/08/50/98/889085098.db2.gz WWBBCIDMHJUIPH-UHFFFAOYSA-N 0 0 403.276 4.399 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)c(C)c1[N+](=O)[O-] ZINC000474259126 889114908 /nfs/dbraw/zinc/11/49/08/889114908.db2.gz TZTFFZARODGETR-UHFFFAOYSA-N 0 0 410.478 4.361 20 5 HIBDRN COc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2OC)ccc1OCc1ccccc1 ZINC000474293701 889157985 /nfs/dbraw/zinc/15/79/85/889157985.db2.gz WNINFPMFGIPCEL-UHFFFAOYSA-N 0 0 422.437 4.121 20 5 HIBDRN COC(=O)COc1ccc(CNc2cccc(OC3CCCC3)c2)cc1[N+](=O)[O-] ZINC000474344817 889220593 /nfs/dbraw/zinc/22/05/93/889220593.db2.gz LREMJGCXEPDCHP-UHFFFAOYSA-N 0 0 400.431 4.080 20 5 HIBDRN Cc1sc(NC(=O)c2ccc(-n3cncn3)c(C)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000474360860 889238857 /nfs/dbraw/zinc/23/88/57/889238857.db2.gz HKRLJBCEJIGTMP-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN COC(=O)COc1ccc(CN[C@H](C)c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000474367661 889246547 /nfs/dbraw/zinc/24/65/47/889246547.db2.gz DYBUDYDLTJBQAP-LLVKDONJSA-N 0 0 413.257 4.304 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1coc2cc(F)ccc12)c1ccccc1[N+](=O)[O-] ZINC000474432808 889298309 /nfs/dbraw/zinc/29/83/09/889298309.db2.gz NTNLUUDCFBNZDJ-QGZVFWFLSA-N 0 0 414.389 4.293 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)ccc1[N+](=O)[O-] ZINC000504561281 913333354 /nfs/dbraw/zinc/33/33/54/913333354.db2.gz PSZIQQUXDZIJCD-UHFFFAOYSA-N 0 0 407.879 4.062 20 5 HIBDRN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)N(Cc1ccco1)c1ccccc1 ZINC000504572002 913338214 /nfs/dbraw/zinc/33/82/14/913338214.db2.gz ZHHWLWOQYPKZGL-UHFFFAOYSA-N 0 0 402.410 4.285 20 5 HIBDRN Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000474754641 889613462 /nfs/dbraw/zinc/61/34/62/889613462.db2.gz HTQFMUBWRQFKQE-UHFFFAOYSA-N 0 0 409.446 4.051 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000474755121 889613546 /nfs/dbraw/zinc/61/35/46/889613546.db2.gz WTKBLEHYXBHUKH-KGLIPLIRSA-N 0 0 413.865 4.093 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(Cc2ccc(F)cc2)no1 ZINC000504610034 913365849 /nfs/dbraw/zinc/36/58/49/913365849.db2.gz ZSVHSEXDRKRZKI-UHFFFAOYSA-N 0 0 410.327 4.381 20 5 HIBDRN CC(C)OCCOCc1cccc(Nc2ncc(Br)cc2[N+](=O)[O-])c1 ZINC000474774180 889632594 /nfs/dbraw/zinc/63/25/94/889632594.db2.gz LWFLFJHZALXRNA-UHFFFAOYSA-N 0 0 410.268 4.438 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000474838630 889697027 /nfs/dbraw/zinc/69/70/27/889697027.db2.gz VFASXARKBYRLHF-UHFFFAOYSA-N 0 0 418.490 4.056 20 5 HIBDRN C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-c2cccnc2)cc1 ZINC000474869165 889722701 /nfs/dbraw/zinc/72/27/01/889722701.db2.gz OJEOUKLTNBRULT-AWEZNQCLSA-N 0 0 414.421 4.402 20 5 HIBDRN O=C(Cn1cc(-c2ccccc2)nn1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000474945365 889801196 /nfs/dbraw/zinc/80/11/96/889801196.db2.gz KQTUVADGXWFCKV-UHFFFAOYSA-N 0 0 413.437 4.087 20 5 HIBDRN COc1c(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000475021629 889874199 /nfs/dbraw/zinc/87/41/99/889874199.db2.gz BLOGTYLCTQEWRC-OAHLLOKOSA-N 0 0 405.248 4.343 20 5 HIBDRN COc1ccc(Sc2nsc(NC(=O)c3cccc(C)c3[N+](=O)[O-])n2)cc1 ZINC000475060881 889905117 /nfs/dbraw/zinc/90/51/17/889905117.db2.gz ADZRTEJOIIPTNV-UHFFFAOYSA-N 0 0 402.457 4.167 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1C(F)(F)F ZINC000475061797 889907393 /nfs/dbraw/zinc/90/73/93/889907393.db2.gz OPXDGRLWYDKELC-UHFFFAOYSA-N 0 0 419.153 4.394 20 5 HIBDRN COc1ccc(-c2ccc(CNc3nnc(CC(F)(F)F)s3)o2)c([N+](=O)[O-])c1 ZINC000475082789 889928935 /nfs/dbraw/zinc/92/89/35/889928935.db2.gz USGVGOBVKSCLKC-UHFFFAOYSA-N 0 0 414.365 4.432 20 5 HIBDRN COCCN(Cc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475189750 890059863 /nfs/dbraw/zinc/05/98/63/890059863.db2.gz KEWMSLHPXJYCOV-UHFFFAOYSA-N 0 0 403.382 4.356 20 5 HIBDRN O=C(NCc1ccnc(N2CCCCC2)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475199006 890068249 /nfs/dbraw/zinc/06/82/49/890068249.db2.gz ZBCKZPSHCITXHT-UHFFFAOYSA-N 0 0 423.395 4.321 20 5 HIBDRN COC(=O)c1ccc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000475205201 890074889 /nfs/dbraw/zinc/07/48/89/890074889.db2.gz QZIPHQCPUUHCBU-UHFFFAOYSA-N 0 0 411.336 4.064 20 5 HIBDRN COc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CCO2 ZINC000475218047 890086784 /nfs/dbraw/zinc/08/67/84/890086784.db2.gz YIDAQDIPCACXAV-AWEZNQCLSA-N 0 0 411.336 4.268 20 5 HIBDRN C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475235338 890108118 /nfs/dbraw/zinc/10/81/18/890108118.db2.gz OVENCNIODWXJPI-CYBMUJFWSA-N 0 0 411.380 4.419 20 5 HIBDRN COc1c(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cccc1[N+](=O)[O-] ZINC000475253911 890141992 /nfs/dbraw/zinc/14/19/92/890141992.db2.gz OGDKMBPNKIWOSZ-HNNXBMFYSA-N 0 0 411.458 4.179 20 5 HIBDRN COc1cc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475279408 890174985 /nfs/dbraw/zinc/17/49/85/890174985.db2.gz NPEBWALJBSVKGI-MWLCHTKSSA-N 0 0 416.318 4.317 20 5 HIBDRN O=C1CCCC(=O)N1c1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000475348296 890271650 /nfs/dbraw/zinc/27/16/50/890271650.db2.gz KUXISNNEHJWIJF-UHFFFAOYSA-N 0 0 422.466 4.374 20 5 HIBDRN CCOc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c([N+](=O)[O-])cc1OCC ZINC000475435976 890355777 /nfs/dbraw/zinc/35/57/77/890355777.db2.gz XOKZQYYPWSCCPK-UHFFFAOYSA-N 0 0 415.377 4.439 20 5 HIBDRN COc1c(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000475458553 890369976 /nfs/dbraw/zinc/36/99/76/890369976.db2.gz BBOOURWCBZQBCV-UHFFFAOYSA-N 0 0 412.446 4.264 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000475522952 890445343 /nfs/dbraw/zinc/44/53/43/890445343.db2.gz IOYXBICUEQIWQU-RBUKOAKNSA-N 0 0 417.412 4.426 20 5 HIBDRN COc1c(C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000475524553 890446837 /nfs/dbraw/zinc/44/68/37/890446837.db2.gz AZSNNXALVVNGIR-UHFFFAOYSA-N 0 0 420.347 4.119 20 5 HIBDRN CCOC(=O)c1sc([C@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)nc1C ZINC000475549687 890475687 /nfs/dbraw/zinc/47/56/87/890475687.db2.gz FOAVEDHWONDCTG-LBPRGKRZSA-N 0 0 406.464 4.036 20 5 HIBDRN COC(=O)COc1ccc(CN(C)Cc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000475572115 890502909 /nfs/dbraw/zinc/50/29/09/890502909.db2.gz NQBXMTMCGQNLBR-UHFFFAOYSA-N 0 0 413.257 4.085 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000475574364 890504292 /nfs/dbraw/zinc/50/42/92/890504292.db2.gz WPNOQKWHSMCVKA-UHFFFAOYSA-N 0 0 414.437 4.233 20 5 HIBDRN COc1c(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000475599382 890526506 /nfs/dbraw/zinc/52/65/06/890526506.db2.gz HVKXJPWZPQDEAF-SFHVURJKSA-N 0 0 406.442 4.286 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000475632102 890572667 /nfs/dbraw/zinc/57/26/67/890572667.db2.gz DBVMKMXREVIZKO-QGZVFWFLSA-N 0 0 406.446 4.366 20 5 HIBDRN COc1c(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000475639618 890580816 /nfs/dbraw/zinc/58/08/16/890580816.db2.gz CCDMVGBVPIHQPQ-UHFFFAOYSA-N 0 0 417.849 4.135 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000475641217 890583569 /nfs/dbraw/zinc/58/35/69/890583569.db2.gz SZNBNWHOAABPKC-FPOVZHCZSA-N 0 0 405.458 4.458 20 5 HIBDRN COC(=O)COc1ccc(CN(C)[C@H](C)c2sc(C(C)C)nc2C)cc1[N+](=O)[O-] ZINC000475725870 890663671 /nfs/dbraw/zinc/66/36/71/890663671.db2.gz PPLBDWOFYVANDG-CQSZACIVSA-N 0 0 421.519 4.228 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)c1 ZINC000475774849 890718165 /nfs/dbraw/zinc/71/81/65/890718165.db2.gz WEQBRHUHDHYULD-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(OC(F)F)c1 ZINC000475807095 890741230 /nfs/dbraw/zinc/74/12/30/890741230.db2.gz CFQXACUDODDFNC-UHFFFAOYSA-N 0 0 406.263 4.476 20 5 HIBDRN C[C@@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1)c1ccc([N+](=O)[O-])cc1F ZINC000475859194 890795319 /nfs/dbraw/zinc/79/53/19/890795319.db2.gz ZPCRZNUELSLLOS-ADLMAVQZSA-N 0 0 410.804 4.230 20 5 HIBDRN COCc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 ZINC000475860025 890796210 /nfs/dbraw/zinc/79/62/10/890796210.db2.gz QOTPEZOSWWXWPH-UHFFFAOYSA-N 0 0 412.467 4.165 20 5 HIBDRN O=C(CSCc1ccc(C(F)(F)F)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000475868822 890805467 /nfs/dbraw/zinc/80/54/67/890805467.db2.gz WTWAAGIWUCXTIG-UHFFFAOYSA-N 0 0 414.361 4.214 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSCc1ccc(C(F)(F)F)cc1 ZINC000475887009 890820869 /nfs/dbraw/zinc/82/08/69/890820869.db2.gz HWQISBYDVZOCPG-UHFFFAOYSA-N 0 0 400.378 4.494 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)c2cn(C)c3ccccc23)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000476095708 891016828 /nfs/dbraw/zinc/01/68/28/891016828.db2.gz ODCMYKZQJYVTOA-HNNXBMFYSA-N 0 0 403.442 4.323 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)Oc3c(Cl)cccc32)cc1OC ZINC000476137642 891060710 /nfs/dbraw/zinc/06/07/10/891060710.db2.gz IBCSMWIJLPXBAT-LLVKDONJSA-N 0 0 406.822 4.083 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)Oc3c(Cl)cccc32)cc1OC ZINC000476137645 891060838 /nfs/dbraw/zinc/06/08/38/891060838.db2.gz IBCSMWIJLPXBAT-NSHDSACASA-N 0 0 406.822 4.083 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000476168146 891097554 /nfs/dbraw/zinc/09/75/54/891097554.db2.gz RJVZRUKBEWHQIE-QMMMGPOBSA-N 0 0 404.728 4.379 20 5 HIBDRN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000476177399 891108047 /nfs/dbraw/zinc/10/80/47/891108047.db2.gz VTESIEYCEFSGLP-OAHLLOKOSA-N 0 0 410.348 4.016 20 5 HIBDRN COCCOC1CCC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000476209274 891140284 /nfs/dbraw/zinc/14/02/84/891140284.db2.gz QPOHUVPICXNFOW-UHFFFAOYSA-N 0 0 412.486 4.350 20 5 HIBDRN COc1cc(CN(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1SC ZINC000476241609 891165130 /nfs/dbraw/zinc/16/51/30/891165130.db2.gz JPOHHVNVPBZIIF-UHFFFAOYSA-N 0 0 400.460 4.007 20 5 HIBDRN COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1F ZINC000476348431 891251348 /nfs/dbraw/zinc/25/13/48/891251348.db2.gz KTDMBJYIIKAPAZ-UHFFFAOYSA-N 0 0 423.444 4.327 20 5 HIBDRN COc1ccccc1C[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000476486092 891395724 /nfs/dbraw/zinc/39/57/24/891395724.db2.gz JQDQOKGBGZKAPA-CQSZACIVSA-N 0 0 421.400 4.444 20 5 HIBDRN CC(C)CCn1c(=O)c2ccc(Cl)cc2nc1SCc1c([N+](=O)[O-])ncn1C ZINC000476490994 891399017 /nfs/dbraw/zinc/39/90/17/891399017.db2.gz OLYDLDNHNZGVBG-UHFFFAOYSA-N 0 0 421.910 4.030 20 5 HIBDRN CC[C@@H](C)Cc1c(C)sc2[nH]c(SCc3c([N+](=O)[O-])ncn3C)nc(=O)c12 ZINC000476497089 891406942 /nfs/dbraw/zinc/40/69/42/891406942.db2.gz WDGFCOXEFLIXGP-SECBINFHSA-N 0 0 407.521 4.228 20 5 HIBDRN O=C(NC[C@H]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000476554572 891472763 /nfs/dbraw/zinc/47/27/63/891472763.db2.gz XTEQBJOPYMCDAP-WFASDCNBSA-N 0 0 406.891 4.290 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 ZINC000476568480 891488946 /nfs/dbraw/zinc/48/89/46/891488946.db2.gz QZAZUWTXABVUTK-UHFFFAOYSA-N 0 0 408.439 4.164 20 5 HIBDRN COc1ccc(NC(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000476669525 891617338 /nfs/dbraw/zinc/61/73/38/891617338.db2.gz LQGBCAKUWBNSTR-UHFFFAOYSA-N 0 0 412.348 4.365 20 5 HIBDRN COC(=O)c1cc(O[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)ccc1[N+](=O)[O-] ZINC000476831003 891812192 /nfs/dbraw/zinc/81/21/92/891812192.db2.gz RQONDXQJOFGRSI-JTQLQIEISA-N 0 0 403.778 4.225 20 5 HIBDRN Cc1nc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)nn1-c1c(Cl)cccc1Cl ZINC000476836389 891814064 /nfs/dbraw/zinc/81/40/64/891814064.db2.gz IMBIRDJKFVXJIQ-UHFFFAOYSA-N 0 0 410.192 4.182 20 5 HIBDRN O=C(NCCOc1ncc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000476836471 891814128 /nfs/dbraw/zinc/81/41/28/891814128.db2.gz WCLCFZSJQDGGEV-UHFFFAOYSA-N 0 0 424.162 4.124 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000476842317 891817776 /nfs/dbraw/zinc/81/77/76/891817776.db2.gz DKSVNGFWOIYSDZ-QGZVFWFLSA-N 0 0 422.254 4.447 20 5 HIBDRN C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000476848603 891821801 /nfs/dbraw/zinc/82/18/01/891821801.db2.gz FEJQCVIQOXABCE-ZFWWWQNUSA-N 0 0 422.407 4.253 20 5 HIBDRN COC(=O)CCSCc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000504863136 913592079 /nfs/dbraw/zinc/59/20/79/913592079.db2.gz DZKQNGNTBUANSK-UHFFFAOYSA-N 0 0 414.439 4.390 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)c1[N+](=O)[O-] ZINC000476919833 891869841 /nfs/dbraw/zinc/86/98/41/891869841.db2.gz FEXGLLLCUZBRCN-UHFFFAOYSA-N 0 0 421.866 4.308 20 5 HIBDRN COc1c(C(=O)N2CCC(c3ccccc3Br)CC2)cccc1[N+](=O)[O-] ZINC000476928866 891874665 /nfs/dbraw/zinc/87/46/65/891874665.db2.gz QXMWKMKYUNHFJK-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN CC(C)(Cc1ccc(Br)cc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477015036 891941148 /nfs/dbraw/zinc/94/11/48/891941148.db2.gz ZIDWVYFWNRPMHN-UHFFFAOYSA-N 0 0 409.255 4.176 20 5 HIBDRN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477088265 892021717 /nfs/dbraw/zinc/02/17/17/892021717.db2.gz MRKMEDXVZZHCOS-HNNXBMFYSA-N 0 0 410.451 4.382 20 5 HIBDRN COC(=O)[C@H](Cc1ccc(C)cc1)S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000477096171 892029412 /nfs/dbraw/zinc/02/94/12/892029412.db2.gz XQGRWGVPJVRZON-KXBFYZLASA-N 0 0 416.499 4.056 20 5 HIBDRN C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl ZINC000477240343 892186009 /nfs/dbraw/zinc/18/60/09/892186009.db2.gz PFTMUXHECGHSCK-LLVKDONJSA-N 0 0 402.813 4.279 20 5 HIBDRN CCOc1ccc([C@H](C)NCc2cn3cc(Br)ccc3n2)cc1[N+](=O)[O-] ZINC000504905042 913638292 /nfs/dbraw/zinc/63/82/92/913638292.db2.gz BCBLMUZYQITXAE-LBPRGKRZSA-N 0 0 419.279 4.255 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000477275955 892228742 /nfs/dbraw/zinc/22/87/42/892228742.db2.gz GMEPTFMAYACILA-UHFFFAOYSA-N 0 0 402.756 4.428 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000477282693 892235402 /nfs/dbraw/zinc/23/54/02/892235402.db2.gz PBAYJFHHQFXFHI-UHFFFAOYSA-N 0 0 404.854 4.017 20 5 HIBDRN O=C(c1cc2sccc2[nH]1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000477312363 892273134 /nfs/dbraw/zinc/27/31/34/892273134.db2.gz UEEFDPXCFYNEQD-UHFFFAOYSA-N 0 0 424.404 4.119 20 5 HIBDRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000504918947 913653577 /nfs/dbraw/zinc/65/35/77/913653577.db2.gz LTBLKDZNWPLEPM-INIZCTEOSA-N 0 0 423.238 4.482 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000477408004 892361262 /nfs/dbraw/zinc/36/12/62/892361262.db2.gz SLZNPZHIFVOKOV-MWLCHTKSSA-N 0 0 409.202 4.469 20 5 HIBDRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000504921638 913658234 /nfs/dbraw/zinc/65/82/34/913658234.db2.gz XFZSYIIRWJAXHV-LBPRGKRZSA-N 0 0 411.277 4.405 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000477464900 892436048 /nfs/dbraw/zinc/43/60/48/892436048.db2.gz GVYXMUZCFFVUMS-UHFFFAOYSA-N 0 0 417.400 4.367 20 5 HIBDRN Cc1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)sc1Cc1ccccc1F ZINC000477470620 892445501 /nfs/dbraw/zinc/44/55/01/892445501.db2.gz LUWGJBFVQVTZHH-UHFFFAOYSA-N 0 0 403.410 4.410 20 5 HIBDRN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Cc1ccccc1[N+](=O)[O-])OCCO3 ZINC000477567863 892628704 /nfs/dbraw/zinc/62/87/04/892628704.db2.gz IXAGVIGLJBBKTG-INIZCTEOSA-N 0 0 422.481 4.324 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc(F)cc1[N+](=O)[O-] ZINC000477609358 892698966 /nfs/dbraw/zinc/69/89/66/892698966.db2.gz OHNYFXTZCDSFFV-UHFFFAOYSA-N 0 0 409.242 4.189 20 5 HIBDRN COc1cc(C(=O)N2CCc3cc(Br)cc(F)c32)cc([N+](=O)[O-])c1C ZINC000477689361 892811152 /nfs/dbraw/zinc/81/11/52/892811152.db2.gz DLNDHWCTWMGJDQ-UHFFFAOYSA-N 0 0 409.211 4.016 20 5 HIBDRN Cc1nc(-c2ccccc2NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC000477697773 892815349 /nfs/dbraw/zinc/81/53/49/892815349.db2.gz UHMHCKUBIXJMBM-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)Nc2cccc3c2CCO3)cc1[N+](=O)[O-])c1ccccn1 ZINC000477743033 892838750 /nfs/dbraw/zinc/83/87/50/892838750.db2.gz MHXVSYHJRWDBOO-CQSZACIVSA-N 0 0 404.426 4.350 20 5 HIBDRN CCOc1cccc(N2CCC(c3noc(-c4ccccc4OC)n3)CC2)c1[N+](=O)[O-] ZINC000477804945 892877616 /nfs/dbraw/zinc/87/76/16/892877616.db2.gz ZRWWNASWWYKHLZ-UHFFFAOYSA-N 0 0 424.457 4.436 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000477852978 892912580 /nfs/dbraw/zinc/91/25/80/892912580.db2.gz OLFAPEOHIRCWOA-INIZCTEOSA-N 0 0 406.385 4.159 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@](C)(OC)CC2)cc1 ZINC000477875203 892935374 /nfs/dbraw/zinc/93/53/74/892935374.db2.gz IPEQKDPWCCGVRE-JOCHJYFZSA-N 0 0 414.458 4.427 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccccc2)cn1 ZINC000477894421 892960073 /nfs/dbraw/zinc/96/00/73/892960073.db2.gz QBEVCKKXCCEMLD-UHFFFAOYSA-N 0 0 419.441 4.073 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2cnccc2C)cc1 ZINC000477903850 892975328 /nfs/dbraw/zinc/97/53/28/892975328.db2.gz HFTNUOVQYIXTIZ-UHFFFAOYSA-N 0 0 407.426 4.371 20 5 HIBDRN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)nc1)c1ccccc1 ZINC000477911923 892988249 /nfs/dbraw/zinc/98/82/49/892988249.db2.gz IKGBPPCRIWCXKA-UHFFFAOYSA-N 0 0 413.393 4.043 20 5 HIBDRN Cn1c(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nc2cccc(Cl)c21 ZINC000477912088 892989779 /nfs/dbraw/zinc/98/97/79/892989779.db2.gz ACORMHUPCYPVBE-UHFFFAOYSA-N 0 0 400.847 4.280 20 5 HIBDRN Cn1ccnc1Sc1ncc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1Cl ZINC000504981154 913722776 /nfs/dbraw/zinc/72/27/76/913722776.db2.gz PLSFTGDTDIQKHS-UHFFFAOYSA-N 0 0 414.834 4.245 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1sccc1Br ZINC000477933583 893022491 /nfs/dbraw/zinc/02/24/91/893022491.db2.gz DKWZRZYMFJBQBV-QMMMGPOBSA-N 0 0 419.684 4.156 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)ccc1[N+](=O)[O-] ZINC000477936256 893027310 /nfs/dbraw/zinc/02/73/10/893027310.db2.gz XTPBKWGOOLSIOV-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ncc[nH]2)ccc1C ZINC000477979240 893075517 /nfs/dbraw/zinc/07/55/17/893075517.db2.gz YZILDGJSSAJYPJ-UHFFFAOYSA-N 0 0 412.471 4.284 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(Cc3csc(-c4ccc5c(c4)OCO5)n3)n2)c1 ZINC000504984823 913731296 /nfs/dbraw/zinc/73/12/96/913731296.db2.gz BGCYCUKZTGHLBR-UHFFFAOYSA-N 0 0 408.395 4.088 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000478007416 893114537 /nfs/dbraw/zinc/11/45/37/893114537.db2.gz ZAJVIYSXGFMWKZ-GHMZBOCLSA-N 0 0 407.245 4.451 20 5 HIBDRN CCc1nc2c(s1)[C@H](N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000478059249 893218912 /nfs/dbraw/zinc/21/89/12/893218912.db2.gz MRJYUAMFIRZYEF-OAHLLOKOSA-N 0 0 408.911 4.215 20 5 HIBDRN COc1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc([N+](=O)[O-])c1C ZINC000478113178 893278728 /nfs/dbraw/zinc/27/87/28/893278728.db2.gz JUGLAPKEPHDFHO-UHFFFAOYSA-N 0 0 411.389 4.168 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000478116093 893283749 /nfs/dbraw/zinc/28/37/49/893283749.db2.gz CJRQVYVTFPIQQY-UHFFFAOYSA-N 0 0 405.454 4.192 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000478122462 893293818 /nfs/dbraw/zinc/29/38/18/893293818.db2.gz RZWXKCCITWQIKJ-NRFANRHFSA-N 0 0 400.438 4.309 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1[N+](=O)[O-] ZINC000478134382 893304843 /nfs/dbraw/zinc/30/48/43/893304843.db2.gz MHPGJFUCYIBSJA-UHFFFAOYSA-N 0 0 411.483 4.171 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2)c1[N+](=O)[O-] ZINC000478147405 893317757 /nfs/dbraw/zinc/31/77/57/893317757.db2.gz KLUYIYKTFVMKQM-UHFFFAOYSA-N 0 0 400.456 4.196 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc(-c3ccncc3)no2)cc1 ZINC000505012236 913757100 /nfs/dbraw/zinc/75/71/00/913757100.db2.gz COSLHNPQLUBHCJ-UHFFFAOYSA-N 0 0 424.420 4.483 20 5 HIBDRN O=C(Cc1ccc(NCc2ccc([N+](=O)[O-])cc2F)cc1)N1CCc2ccccc21 ZINC000478234494 893394951 /nfs/dbraw/zinc/39/49/51/893394951.db2.gz RHDAOYCMBHUTHJ-UHFFFAOYSA-N 0 0 405.429 4.478 20 5 HIBDRN CCOc1ccc(CCC2CCN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])CC2)cc1 ZINC000478263779 893450620 /nfs/dbraw/zinc/45/06/20/893450620.db2.gz TZQAPHHXSMRCBN-UHFFFAOYSA-N 0 0 413.474 4.024 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000505033007 913775228 /nfs/dbraw/zinc/77/52/28/913775228.db2.gz PQBJQROFZAPZHJ-ZDUSSCGKSA-N 0 0 406.529 4.484 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000478308721 893531373 /nfs/dbraw/zinc/53/13/73/893531373.db2.gz RXELENWJSDPMHR-IBGZPJMESA-N 0 0 408.458 4.268 20 5 HIBDRN Cc1nncn1-c1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000478376358 893644034 /nfs/dbraw/zinc/64/40/34/893644034.db2.gz XSDRBWVFPLGNII-UHFFFAOYSA-N 0 0 414.425 4.480 20 5 HIBDRN COc1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(OC2CCCC2)c1 ZINC000478405874 893692958 /nfs/dbraw/zinc/69/29/58/893692958.db2.gz CJYTYOLSXIHLFV-UHFFFAOYSA-N 0 0 413.474 4.266 20 5 HIBDRN CC(C)c1csc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000478414244 893703770 /nfs/dbraw/zinc/70/37/70/893703770.db2.gz DPFJKDSAJPWNDD-UHFFFAOYSA-N 0 0 403.382 4.046 20 5 HIBDRN Cc1coc(-c2cc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)ccc2C)n1 ZINC000478483770 893806792 /nfs/dbraw/zinc/80/67/92/893806792.db2.gz URWUMJLEAWMNKA-UHFFFAOYSA-N 0 0 404.382 4.373 20 5 HIBDRN Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000478495949 893812291 /nfs/dbraw/zinc/81/22/91/893812291.db2.gz YGFQWFGSZLEBES-AWEZNQCLSA-N 0 0 402.756 4.039 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cc([N+](=O)[O-])c1C ZINC000478514741 893823136 /nfs/dbraw/zinc/82/31/36/893823136.db2.gz HRIRBGZYVADWPU-OAHLLOKOSA-N 0 0 418.877 4.496 20 5 HIBDRN COc1cc(C(=O)NCC2C(C)(C)C2(C)C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000478530008 893833432 /nfs/dbraw/zinc/83/34/32/893833432.db2.gz YTBNRHYVJMEYNL-UHFFFAOYSA-N 0 0 419.503 4.051 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000478606456 893871700 /nfs/dbraw/zinc/87/17/00/893871700.db2.gz AWCWJIIZHKKWBY-AWEZNQCLSA-N 0 0 403.504 4.139 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000478615359 893877463 /nfs/dbraw/zinc/87/74/63/893877463.db2.gz MLGXOYQGAHYORL-RDJZCZTQSA-N 0 0 414.506 4.080 20 5 HIBDRN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000478641727 893891619 /nfs/dbraw/zinc/89/16/19/893891619.db2.gz GWQLCWQBYZYQIQ-UHFFFAOYSA-N 0 0 402.790 4.086 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1NC(=O)N(C)C ZINC000478669363 893919128 /nfs/dbraw/zinc/91/91/28/893919128.db2.gz YBXMQRHNEWERJS-GFCCVEGCSA-N 0 0 420.853 4.056 20 5 HIBDRN CCOc1cc(OCc2csc(CC(=O)Nc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000478719514 893991373 /nfs/dbraw/zinc/99/13/73/893991373.db2.gz HOQQRRPARSNICV-UHFFFAOYSA-N 0 0 413.455 4.210 20 5 HIBDRN CCCOc1ccc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000478776300 894052086 /nfs/dbraw/zinc/05/20/86/894052086.db2.gz WTFPWILQHAMMTC-HNNXBMFYSA-N 0 0 401.463 4.261 20 5 HIBDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000478783697 894058957 /nfs/dbraw/zinc/05/89/57/894058957.db2.gz ZZGXWYCZIMZKMX-YJBOKZPZSA-N 0 0 403.504 4.432 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000478807055 894079257 /nfs/dbraw/zinc/07/92/57/894079257.db2.gz RTAKPSILGYFVFT-OAQYLSRUSA-N 0 0 418.453 4.082 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000505133279 913834594 /nfs/dbraw/zinc/83/45/94/913834594.db2.gz BOMUVWOXUANXHR-FQEVSTJZSA-N 0 0 415.877 4.062 20 5 HIBDRN Cc1c(CNC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cccc1[N+](=O)[O-] ZINC000478820292 894094676 /nfs/dbraw/zinc/09/46/76/894094676.db2.gz GJNNTMQDKYYQMH-UHFFFAOYSA-N 0 0 417.893 4.104 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Sc3nncs3)cc2)cc([N+](=O)[O-])c1C ZINC000478852562 894132447 /nfs/dbraw/zinc/13/24/47/894132447.db2.gz IMTQEYMUVYHNLO-UHFFFAOYSA-N 0 0 402.457 4.167 20 5 HIBDRN CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000505149914 913843400 /nfs/dbraw/zinc/84/34/00/913843400.db2.gz ZPEHLZGDRMKQLN-CABCVRRESA-N 0 0 415.515 4.091 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000478894527 894176643 /nfs/dbraw/zinc/17/66/43/894176643.db2.gz UDSWDVDWUJPEOA-UHFFFAOYSA-N 0 0 408.439 4.193 20 5 HIBDRN CCOC(=O)c1nc(-c2ccccc2)oc1COc1cc(C)c([N+](=O)[O-])cc1F ZINC000478912463 894192126 /nfs/dbraw/zinc/19/21/26/894192126.db2.gz WYFNMRRZJUTMAY-UHFFFAOYSA-N 0 0 400.362 4.453 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000478916825 894197194 /nfs/dbraw/zinc/19/71/94/894197194.db2.gz VMGBKDMMVLPFJA-UHFFFAOYSA-N 0 0 406.442 4.275 20 5 HIBDRN COCCSc1ccc([C@@H](C)NC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000505154890 913847285 /nfs/dbraw/zinc/84/72/85/913847285.db2.gz NCDPRPXJYUEEBW-CQSZACIVSA-N 0 0 406.529 4.303 20 5 HIBDRN O=C(Nc1cc(F)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1I ZINC000478937726 894217671 /nfs/dbraw/zinc/21/76/71/894217671.db2.gz NQEBZLBMMCPTQW-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000478939257 894219414 /nfs/dbraw/zinc/21/94/14/894219414.db2.gz NANBMHOPPOODFU-UHFFFAOYSA-N 0 0 416.499 4.087 20 5 HIBDRN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(N2CCc3ccccc32)CC1 ZINC000505157417 913849087 /nfs/dbraw/zinc/84/90/87/913849087.db2.gz WAVACISDLPDMGM-UHFFFAOYSA-N 0 0 423.516 4.349 20 5 HIBDRN Cn1cc(C(=O)Nc2ccc(Oc3ccccn3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505157185 913849454 /nfs/dbraw/zinc/84/94/54/913849454.db2.gz AGNDIVBLQDTHPL-UHFFFAOYSA-N 0 0 415.409 4.435 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(-n3cccn3)c(F)c2)c1 ZINC000505160537 913851518 /nfs/dbraw/zinc/85/15/18/913851518.db2.gz VLBYVFGWSNNLRW-GFCCVEGCSA-N 0 0 400.435 4.133 20 5 HIBDRN Nc1c(C(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000479024891 894290238 /nfs/dbraw/zinc/29/02/38/894290238.db2.gz PIMVRFYTCZRRAX-UHFFFAOYSA-N 0 0 423.391 4.127 20 5 HIBDRN CN(C)c1ncccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000479071164 894334918 /nfs/dbraw/zinc/33/49/18/894334918.db2.gz OXEKJYNIJWSJTL-UHFFFAOYSA-N 0 0 408.483 4.137 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3ccncc3Br)n2)cc1[N+](=O)[O-] ZINC000479078932 894343489 /nfs/dbraw/zinc/34/34/89/894343489.db2.gz OLYQMVHTHDIUSE-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br ZINC000479143433 894413154 /nfs/dbraw/zinc/41/31/54/894413154.db2.gz UBTWKLDWVCSDFV-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(C2CC2)c2cc(F)ccc21 ZINC000479176186 894445276 /nfs/dbraw/zinc/44/52/76/894445276.db2.gz XZPRMLHHFNVFRB-UHFFFAOYSA-N 0 0 420.238 4.126 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000479270867 894544547 /nfs/dbraw/zinc/54/45/47/894544547.db2.gz AUBLFWVXVKUHST-KRWDZBQOSA-N 0 0 410.854 4.080 20 5 HIBDRN CN(C)[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000479351326 894646687 /nfs/dbraw/zinc/64/66/87/894646687.db2.gz WCXKMQVTYDVZSO-QGZVFWFLSA-N 0 0 414.264 4.002 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1OC 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415.471 4.455 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1OC ZINC000479558158 894856753 /nfs/dbraw/zinc/85/67/53/894856753.db2.gz QHEGNMPXYGVEJB-UHFFFAOYSA-N 0 0 416.327 4.090 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2)oc1C ZINC000479665908 894941921 /nfs/dbraw/zinc/94/19/21/894941921.db2.gz NRURKOKOQAVBBF-UHFFFAOYSA-N 0 0 403.398 4.305 20 5 HIBDRN COc1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)c(OC2CCCC2)c1 ZINC000479669803 894947689 /nfs/dbraw/zinc/94/76/89/894947689.db2.gz FIKJWCMQYCQKRF-UHFFFAOYSA-N 0 0 413.474 4.233 20 5 HIBDRN C[C@@H](SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)OC(C)(C)C ZINC000479720446 895018562 /nfs/dbraw/zinc/01/85/62/895018562.db2.gz UYZUEMCAMPFABR-LLVKDONJSA-N 0 0 423.516 4.120 20 5 HIBDRN COC(=O)c1cccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)s2)c1 ZINC000505271336 913926780 /nfs/dbraw/zinc/92/67/80/913926780.db2.gz KZNIESQYNANHEV-UHFFFAOYSA-N 0 0 417.468 4.051 20 5 HIBDRN 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/nfs/dbraw/zinc/02/11/61/896021161.db2.gz MKFQXLGYODBVTO-UHFFFAOYSA-N 0 0 413.865 4.449 20 5 HIBDRN Cc1cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])nn1-c1cc(C)cc(C)c1 ZINC000480675179 896038733 /nfs/dbraw/zinc/03/87/33/896038733.db2.gz AYABTFZPLASRAB-UHFFFAOYSA-N 0 0 407.474 4.412 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000480716459 896077661 /nfs/dbraw/zinc/07/76/61/896077661.db2.gz BHSUVPRQGIEQLU-KRWDZBQOSA-N 0 0 420.462 4.116 20 5 HIBDRN CCCN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480743196 896105467 /nfs/dbraw/zinc/10/54/67/896105467.db2.gz YXTOYFWWYJWKKZ-QGZVFWFLSA-N 0 0 403.504 4.085 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000480805702 896173842 /nfs/dbraw/zinc/17/38/42/896173842.db2.gz LGUWOJSLKNSIFD-UHFFFAOYSA-N 0 0 403.410 4.053 20 5 HIBDRN O=C(Nc1cncc(Cl)c1Cl)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000480809131 896179021 /nfs/dbraw/zinc/17/90/21/896179021.db2.gz ZDBIDMYNJUWQNJ-UHFFFAOYSA-N 0 0 410.135 4.490 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000480820803 896193056 /nfs/dbraw/zinc/19/30/56/896193056.db2.gz CVORRNMUDSACNR-UHFFFAOYSA-N 0 0 416.279 4.252 20 5 HIBDRN COc1cc(C(=O)N2CCc3cc(Cl)ccc3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000480822729 896195604 /nfs/dbraw/zinc/19/56/04/896195604.db2.gz QHEWWQCTKMTUHB-UHFFFAOYSA-N 0 0 412.776 4.057 20 5 HIBDRN CC[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2F)n1)c1cccc([N+](=O)[O-])c1 ZINC000505384351 914048616 /nfs/dbraw/zinc/04/86/16/914048616.db2.gz LHFWDPKVMXFSQB-KRWDZBQOSA-N 0 0 400.385 4.248 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)C)cc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000480920444 896279313 /nfs/dbraw/zinc/27/93/13/896279313.db2.gz IIEPFNFEJCTZTR-SFHVURJKSA-N 0 0 410.474 4.105 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000480940853 896288067 /nfs/dbraw/zinc/28/80/67/896288067.db2.gz WFWRIXDGJZXCGR-OLZOCXBDSA-N 0 0 401.850 4.371 20 5 HIBDRN 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20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000505419209 914084164 /nfs/dbraw/zinc/08/41/64/914084164.db2.gz CMMSJJOFYKRYCF-OAHLLOKOSA-N 0 0 408.710 4.489 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc2cc(F)c(Br)cc2s1 ZINC000481283566 896630282 /nfs/dbraw/zinc/63/02/82/896630282.db2.gz ZMSHSYNWLCJKNT-UHFFFAOYSA-N 0 0 410.224 4.287 20 5 HIBDRN COC(=O)[C@H](C)N(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CCC1 ZINC000481319768 896673676 /nfs/dbraw/zinc/67/36/76/896673676.db2.gz GTOULNLZBDPRND-AWEZNQCLSA-N 0 0 414.483 4.302 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000481329913 896688819 /nfs/dbraw/zinc/68/88/19/896688819.db2.gz JZHTVHHUAGAYBY-AWEZNQCLSA-N 0 0 414.245 4.155 20 5 HIBDRN C[C@@H](Sc1nnc(-c2cnccn2)n1Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000481335946 896698490 /nfs/dbraw/zinc/69/84/90/896698490.db2.gz HGPFZGRJYQBFOZ-CYBMUJFWSA-N 0 0 408.443 4.138 20 5 HIBDRN Cc1ccc(-c2nnc(SCc3c([N+](=O)[O-])ncn3C)n2-c2ccccc2)cc1 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0 0 418.881 4.407 20 5 HIBDRN Cc1c(CNC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cccc1[N+](=O)[O-] ZINC000481471452 896860646 /nfs/dbraw/zinc/86/06/46/896860646.db2.gz ADUKWCOAAOCUAY-UHFFFAOYSA-N 0 0 416.437 4.060 20 5 HIBDRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481473776 896860875 /nfs/dbraw/zinc/86/08/75/896860875.db2.gz OHBARSYOKMNSRH-UHFFFAOYSA-N 0 0 421.482 4.001 20 5 HIBDRN Cc1c(CNC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000481481377 896865235 /nfs/dbraw/zinc/86/52/35/896865235.db2.gz OAYXSCRZYXJVEA-UHFFFAOYSA-N 0 0 403.438 4.110 20 5 HIBDRN Cc1c(CNC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000481505289 896877881 /nfs/dbraw/zinc/87/78/81/896877881.db2.gz YLKCSCVTFOHHCB-UHFFFAOYSA-N 0 0 403.438 4.110 20 5 HIBDRN CCOC(=O)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000481526538 896889710 /nfs/dbraw/zinc/88/97/10/896889710.db2.gz KIUYMFZPVFDWQS-UHFFFAOYSA-N 0 0 408.520 4.148 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000481545264 896907042 /nfs/dbraw/zinc/90/70/42/896907042.db2.gz QZAOSBPJWGCRRX-XIKOKIGWSA-N 0 0 402.838 4.164 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000481567254 896944829 /nfs/dbraw/zinc/94/48/29/896944829.db2.gz JLOUNBIMAYPMAD-KOMQPUFPSA-N 0 0 404.463 4.148 20 5 HIBDRN CCCOc1cc(NC(=O)N(C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCCC ZINC000481602631 896983404 /nfs/dbraw/zinc/98/34/04/896983404.db2.gz YCZKOKZHMRIWHP-QAPCUYQASA-N 0 0 423.510 4.187 20 5 HIBDRN O=C(NC[C@H]1CCC2(CCCCC2)O1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000481671119 897055401 /nfs/dbraw/zinc/05/54/01/897055401.db2.gz PICDCRCQUJDJNK-CQSZACIVSA-N 0 0 416.396 4.148 20 5 HIBDRN C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(OC(F)(F)F)cc1 ZINC000481680503 897064498 /nfs/dbraw/zinc/06/44/98/897064498.db2.gz ZEODVJSYCQQDJK-NSHDSACASA-N 0 0 407.348 4.395 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481691734 897076649 /nfs/dbraw/zinc/07/66/49/897076649.db2.gz UBEDWIRPWRTFKT-ZDUSSCGKSA-N 0 0 418.881 4.141 20 5 HIBDRN COc1cc(C(=O)N(C)Cc2ccc(Br)cc2Cl)ccc1[N+](=O)[O-] ZINC000481714849 897106280 /nfs/dbraw/zinc/10/62/80/897106280.db2.gz HRHONTDPJHNLSA-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN COc1cc(CN[C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000505457969 914128796 /nfs/dbraw/zinc/12/87/96/914128796.db2.gz PMMBGXDDKSAPCN-SNVBAGLBSA-N 0 0 402.344 4.376 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1OC ZINC000505460377 914130718 /nfs/dbraw/zinc/13/07/18/914130718.db2.gz NAAZIYLXYJJVIJ-IUODEOHRSA-N 0 0 424.375 4.307 20 5 HIBDRN CCOc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2-c2ccccn2)cc1 ZINC000481822262 897193457 /nfs/dbraw/zinc/19/34/57/897193457.db2.gz UOBZZRZPJRJLHS-UHFFFAOYSA-N 0 0 420.454 4.182 20 5 HIBDRN O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000481866884 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421.841 4.270 20 5 HIBDRN COC(=O)c1sc2cccc(F)c2c1COc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000481939785 897326335 /nfs/dbraw/zinc/32/63/35/897326335.db2.gz COEOMQDKNYVQQW-UHFFFAOYSA-N 0 0 419.386 4.101 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000481945778 897333074 /nfs/dbraw/zinc/33/30/74/897333074.db2.gz NCFMKOILCBLDOV-IBGZPJMESA-N 0 0 404.488 4.461 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000481977654 897370620 /nfs/dbraw/zinc/37/06/20/897370620.db2.gz OMESXPGXROJVTA-UHFFFAOYSA-N 0 0 409.273 4.460 20 5 HIBDRN COc1ccc2cc(CNC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])ccc2c1 ZINC000482016777 897418328 /nfs/dbraw/zinc/41/83/28/897418328.db2.gz POZSPUJXVSECMR-UHFFFAOYSA-N 0 0 412.467 4.417 20 5 HIBDRN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000482023771 897430538 /nfs/dbraw/zinc/43/05/38/897430538.db2.gz DTHAROVMAOOTSR-UHFFFAOYSA-N 0 0 416.441 4.109 20 5 HIBDRN CCc1ccc([C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CCO2)cc1 ZINC000482029290 897438124 /nfs/dbraw/zinc/43/81/24/897438124.db2.gz YKVQXOYLOSHFMI-DEOSSOPVSA-N 0 0 412.489 4.457 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000482036458 897451300 /nfs/dbraw/zinc/45/13/00/897451300.db2.gz FDMQAWCQNCLLLV-HNNXBMFYSA-N 0 0 420.453 4.384 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1OC ZINC000482037999 897455013 /nfs/dbraw/zinc/45/50/13/897455013.db2.gz FIERHNPGHQGYIK-OAHLLOKOSA-N 0 0 404.385 4.053 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000482052525 897478064 /nfs/dbraw/zinc/47/80/64/897478064.db2.gz KEQZECFLKAFWIQ-UHFFFAOYSA-N 0 0 410.499 4.459 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000482055366 897483293 /nfs/dbraw/zinc/48/32/93/897483293.db2.gz UURWTGDYBOFZCD-FQEVSTJZSA-N 0 0 421.478 4.427 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(OC(F)F)c3cccnc23)cc1[N+](=O)[O-] ZINC000482088372 897529170 /nfs/dbraw/zinc/52/91/70/897529170.db2.gz JQXKWDQMYYEHEI-UHFFFAOYSA-N 0 0 418.356 4.075 20 5 HIBDRN CCS[C@@H](C)c1noc(CN(C)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000482088576 897531562 /nfs/dbraw/zinc/53/15/62/897531562.db2.gz KTFVZOWGTAPNSG-VIFPVBQESA-N 0 0 401.286 4.191 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1SC ZINC000482104364 897554066 /nfs/dbraw/zinc/55/40/66/897554066.db2.gz MEOMWFMQFVCTDX-UHFFFAOYSA-N 0 0 412.471 4.380 20 5 HIBDRN C[C@H](O)[C@@](C)(CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Cc1ccccc1 ZINC000482121121 897574740 /nfs/dbraw/zinc/57/47/40/897574740.db2.gz CHHXLLULOYDITA-MRDQGFSESA-N 0 0 414.505 4.041 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccc2F)co1 ZINC000482123726 897579131 /nfs/dbraw/zinc/57/91/31/897579131.db2.gz HYBYOVBZNUDGAU-UHFFFAOYSA-N 0 0 417.418 4.380 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505491620 914175392 /nfs/dbraw/zinc/17/53/92/914175392.db2.gz QJGDKKRUVWPQES-MAUKXSAKSA-N 0 0 416.359 4.085 20 5 HIBDRN Cn1cc(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482211665 897691154 /nfs/dbraw/zinc/69/11/54/897691154.db2.gz MUOQKDWZHHYEDC-CZUORRHYSA-N 0 0 410.396 4.094 20 5 HIBDRN Cn1cc(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482211666 897691425 /nfs/dbraw/zinc/69/14/25/897691425.db2.gz MUOQKDWZHHYEDC-XJKSGUPXSA-N 0 0 410.396 4.094 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000482212034 897692917 /nfs/dbraw/zinc/69/29/17/897692917.db2.gz PDOWKBFVUSNLRV-WCQYABFASA-N 0 0 406.426 4.026 20 5 HIBDRN C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000482242198 897723911 /nfs/dbraw/zinc/72/39/11/897723911.db2.gz JSAXVGXOGZABHP-QHCPKHFHSA-N 0 0 404.470 4.266 20 5 HIBDRN CC[C@@H](CN(CC)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccccc1 ZINC000482254771 897737020 /nfs/dbraw/zinc/73/70/20/897737020.db2.gz JFNADFFJJYAPSD-SFHVURJKSA-N 0 0 411.502 4.087 20 5 HIBDRN CO[C@@H]1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC000482268791 897754423 /nfs/dbraw/zinc/75/44/23/897754423.db2.gz ZUCAWWARLXZPBL-FXFXYLOPSA-N 0 0 423.494 4.383 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[C@H]1c1ccccc1 ZINC000482305526 897803565 /nfs/dbraw/zinc/80/35/65/897803565.db2.gz VKZPJQTWCFSJQX-IEBWSBKVSA-N 0 0 404.470 4.436 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000482340897 897847835 /nfs/dbraw/zinc/84/78/35/897847835.db2.gz DYXTUYKUDCTTFC-AWEZNQCLSA-N 0 0 421.881 4.368 20 5 HIBDRN COc1cc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c(OC)cc1Cl ZINC000482362435 897881220 /nfs/dbraw/zinc/88/12/20/897881220.db2.gz CTMWZVDOKHEWEY-UHFFFAOYSA-N 0 0 412.851 4.248 20 5 HIBDRN COc1c(C)ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1C ZINC000482449930 898015436 /nfs/dbraw/zinc/01/54/36/898015436.db2.gz QHUBNOCDWPZCFD-UHFFFAOYSA-N 0 0 408.458 4.334 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000482457343 898026424 /nfs/dbraw/zinc/02/64/24/898026424.db2.gz UUPVMGPJIPMNJR-ZHRRBRCNSA-N 0 0 416.449 4.296 20 5 HIBDRN O=[N+]([O-])c1ccc(CN[C@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000482502606 898085484 /nfs/dbraw/zinc/08/54/84/898085484.db2.gz LLTVJVBUSVUQLL-HNNXBMFYSA-N 0 0 411.771 4.264 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)Cc2cccnc2)cc1SC ZINC000482509133 898093377 /nfs/dbraw/zinc/09/33/77/898093377.db2.gz UOMHBCQICHBLLD-UHFFFAOYSA-N 0 0 413.455 4.156 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000482575589 898170469 /nfs/dbraw/zinc/17/04/69/898170469.db2.gz AZBJKHBGAVFEOL-AWEZNQCLSA-N 0 0 408.458 4.167 20 5 HIBDRN CC[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)Oc1ccccc1Cl ZINC000482632865 898236838 /nfs/dbraw/zinc/23/68/38/898236838.db2.gz WGYPBRLOYBXGNF-ZDUSSCGKSA-N 0 0 415.833 4.089 20 5 HIBDRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000482673005 898274106 /nfs/dbraw/zinc/27/41/06/898274106.db2.gz RKQFLZIDFKQRSO-UHFFFAOYSA-N 0 0 410.861 4.313 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(C(CC)CC)c2CC)cc1OC ZINC000482693222 898292735 /nfs/dbraw/zinc/29/27/35/898292735.db2.gz UKSGHUHXUOONBL-UHFFFAOYSA-N 0 0 404.467 4.374 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CN3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)nc2c1 ZINC000482693798 898292943 /nfs/dbraw/zinc/29/29/43/898292943.db2.gz VFNQYQLRFDSVLE-QGZVFWFLSA-N 0 0 407.257 4.351 20 5 HIBDRN CCOc1cc(C(=O)Nc2cccc(Oc3ccncc3)c2)c([N+](=O)[O-])cc1OC ZINC000482772337 898380503 /nfs/dbraw/zinc/38/05/03/898380503.db2.gz ADPJTJVWWSEZLK-UHFFFAOYSA-N 0 0 409.398 4.442 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(OCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000482825798 898433157 /nfs/dbraw/zinc/43/31/57/898433157.db2.gz JLNWJTIUIPNUJE-UHFFFAOYSA-N 0 0 423.303 4.029 20 5 HIBDRN CC[C@@H]1CCc2ccccc2N1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000482840331 898450898 /nfs/dbraw/zinc/45/08/98/898450898.db2.gz XKGDBKCIATVYCP-MRXNPFEDSA-N 0 0 409.442 4.041 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cc1SC ZINC000482849989 898461668 /nfs/dbraw/zinc/46/16/68/898461668.db2.gz RUNTYTVVBCXZDG-JTQLQIEISA-N 0 0 412.414 4.418 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1SC ZINC000482879888 898493996 /nfs/dbraw/zinc/49/39/96/898493996.db2.gz SQAJQIKYICZIRS-HNNXBMFYSA-N 0 0 418.471 4.135 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000482967746 898600666 /nfs/dbraw/zinc/60/06/66/898600666.db2.gz YOTUROOUVBTTMG-UHFFFAOYSA-N 0 0 416.499 4.024 20 5 HIBDRN C[C@]1(c2ccc(F)cc2)CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000482976220 898612302 /nfs/dbraw/zinc/61/23/02/898612302.db2.gz KBIPVIQVRPHKFE-SANMLTNESA-N 0 0 414.480 4.484 20 5 HIBDRN O=C(Nc1cccc(N2CCCCC2=O)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000482992488 898634741 /nfs/dbraw/zinc/63/47/41/898634741.db2.gz LLFRDPQEUMADOX-UHFFFAOYSA-N 0 0 408.458 4.308 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)cc1SC ZINC000483006729 898658951 /nfs/dbraw/zinc/65/89/51/898658951.db2.gz NCEBEKZEPCUNTA-HXUWFJFHSA-N 0 0 404.463 4.268 20 5 HIBDRN Cc1c(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000483014725 898671114 /nfs/dbraw/zinc/67/11/14/898671114.db2.gz XGVVRALMCHMMQG-UHFFFAOYSA-N 0 0 416.499 4.403 20 5 HIBDRN C[C@@H]1CN(c2ccccc2NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000483044498 898714124 /nfs/dbraw/zinc/71/41/24/898714124.db2.gz TXYTULBHVUVMSS-CALCHBBNSA-N 0 0 424.501 4.405 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN[C@H](CO)c3c(Cl)cccc3Cl)co2)cc1 ZINC000483225980 898869203 /nfs/dbraw/zinc/86/92/03/898869203.db2.gz GDHGOWKXCVXNSO-MRXNPFEDSA-N 0 0 408.241 4.380 20 5 HIBDRN CC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000483304534 898935405 /nfs/dbraw/zinc/93/54/05/898935405.db2.gz BYSONTLFTCYKAJ-UHFFFAOYSA-N 0 0 403.866 4.195 20 5 HIBDRN Cc1c(NC(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc(Br)cc1[N+](=O)[O-] ZINC000483365402 899002049 /nfs/dbraw/zinc/00/20/49/899002049.db2.gz NSYOBYASWOARSF-CQSZACIVSA-N 0 0 408.256 4.148 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2oc3ccc(F)cc3c2C)cc1SC ZINC000483383141 899017645 /nfs/dbraw/zinc/01/76/45/899017645.db2.gz YAXNPKOMGQUGLB-UHFFFAOYSA-N 0 0 404.419 4.449 20 5 HIBDRN Cc1c(NC(=O)N[C@H](C)c2ccc3n[nH]cc3c2)cc(Br)cc1[N+](=O)[O-] ZINC000483384028 899020094 /nfs/dbraw/zinc/02/00/94/899020094.db2.gz SLKYQJWXGNBCAS-SNVBAGLBSA-N 0 0 418.251 4.425 20 5 HIBDRN O=C(N[C@@H](CO)c1ccsc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000505604454 914307889 /nfs/dbraw/zinc/30/78/89/914307889.db2.gz CUKHOGNPGHCFPA-HNNXBMFYSA-N 0 0 400.481 4.271 20 5 HIBDRN COc1ccccc1-c1nc(C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)no1 ZINC000483429253 899058807 /nfs/dbraw/zinc/05/88/07/899058807.db2.gz QYRZKOMVCAMSDM-UHFFFAOYSA-N 0 0 400.460 4.095 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)S1=O ZINC000483441954 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409.427 4.389 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000483954974 899605417 /nfs/dbraw/zinc/60/54/17/899605417.db2.gz KPPVRYWKIHMHIK-UHFFFAOYSA-N 0 0 414.364 4.470 20 5 HIBDRN CC1CCC(N(C(=O)c2cc([N+](=O)[O-])nn2C)c2cccc(N3CCCC3)c2)CC1 ZINC000484013605 899649376 /nfs/dbraw/zinc/64/93/76/899649376.db2.gz SGRJCEPPZZIIMR-UHFFFAOYSA-N 0 0 411.506 4.154 20 5 HIBDRN CCc1cccc(Oc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cn2)c1 ZINC000484130694 899751568 /nfs/dbraw/zinc/75/15/68/899751568.db2.gz DRBLMGXEVAEWOU-UHFFFAOYSA-N 0 0 421.409 4.368 20 5 HIBDRN C[C@@H](C(=O)N(CC(=O)Nc1ccc(F)cc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000484200522 899810576 /nfs/dbraw/zinc/81/05/76/899810576.db2.gz SVEMJDVJXFHCCG-CYBMUJFWSA-N 0 0 419.428 4.242 20 5 HIBDRN CC[C@@H](NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000484279854 899848594 /nfs/dbraw/zinc/84/85/94/899848594.db2.gz LLWPVQNSCLTNJU-GFCCVEGCSA-N 0 0 400.460 4.083 20 5 HIBDRN 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HIBDRN CCOC(=O)c1ccnc(N(Cc2cccs2)Cc2cccs2)c1[N+](=O)[O-] ZINC000484827349 900230642 /nfs/dbraw/zinc/23/06/42/900230642.db2.gz FXWNYZNZNKSETF-UHFFFAOYSA-N 0 0 403.485 4.496 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c(=O)n(C)c1 ZINC000484833622 900234984 /nfs/dbraw/zinc/23/49/84/900234984.db2.gz VVCGPKYESDPEKV-UHFFFAOYSA-N 0 0 413.817 4.300 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1OC(F)F ZINC000484835340 900236853 /nfs/dbraw/zinc/23/68/53/900236853.db2.gz HASDTXXXLQRRBA-VIFPVBQESA-N 0 0 402.300 4.289 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000484856825 900249799 /nfs/dbraw/zinc/24/97/99/900249799.db2.gz FWZPHVHDIQRQCW-HOTGVXAUSA-N 0 0 418.490 4.428 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)cc1OC ZINC000484874319 900262074 /nfs/dbraw/zinc/26/20/74/900262074.db2.gz OFIFVDOTTSELMT-KGLIPLIRSA-N 0 0 402.422 4.207 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)cc1OC 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ZINC000485617302 900874980 /nfs/dbraw/zinc/87/49/80/900874980.db2.gz UALMDELLQZUFKT-CQSZACIVSA-N 0 0 409.552 4.108 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000485620399 900876045 /nfs/dbraw/zinc/87/60/45/900876045.db2.gz MCDXMKMSJSXHAI-RISCZKNCSA-N 0 0 416.783 4.478 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(c2c(F)cccc2F)CC1 ZINC000485625433 900879480 /nfs/dbraw/zinc/87/94/80/900879480.db2.gz NVQBZEHUVUFTQU-UHFFFAOYSA-N 0 0 415.440 4.493 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000485629392 900883460 /nfs/dbraw/zinc/88/34/60/900883460.db2.gz QAEYDLBAPROEDN-AWEZNQCLSA-N 0 0 419.441 4.312 20 5 HIBDRN Cc1c(C)n(-c2ccc(C)cc2)c2ncnc(NC(=O)c3cc([N+](=O)[O-])cnc3C)c12 ZINC000485660694 900911383 /nfs/dbraw/zinc/91/13/83/900911383.db2.gz JLNVYKHJSPOBFP-UHFFFAOYSA-N 0 0 416.441 4.210 20 5 HIBDRN C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc2ncsc2c1 ZINC000485677349 900928255 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ZINC000485837323 901083092 /nfs/dbraw/zinc/08/30/92/901083092.db2.gz ZOZZBQRADXPHMS-HNNXBMFYSA-N 0 0 403.280 4.485 20 5 HIBDRN Cc1ccc([C@@H](C)NCc2nc3ccc(Br)cc3n2C)cc1[N+](=O)[O-] ZINC000485846862 901090990 /nfs/dbraw/zinc/09/09/90/901090990.db2.gz TVYWMCOLZMVTAH-GFCCVEGCSA-N 0 0 403.280 4.403 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2C)CC1 ZINC000485851679 901095456 /nfs/dbraw/zinc/09/54/56/901095456.db2.gz XDBARIOUMYUCOM-UHFFFAOYSA-N 0 0 400.500 4.103 20 5 HIBDRN Cc1cccc(-c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)c1F ZINC000485875560 901112895 /nfs/dbraw/zinc/11/28/95/901112895.db2.gz RQVWKHLHWCBYDV-UHFFFAOYSA-N 0 0 412.406 4.039 20 5 HIBDRN CO[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000485881002 901115969 /nfs/dbraw/zinc/11/59/69/901115969.db2.gz KBMYXSKJAUGTLM-NSHDSACASA-N 0 0 419.684 4.190 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC(c4c(F)cccc4F)CC3)o2)cc1 ZINC000485907680 901135273 /nfs/dbraw/zinc/13/52/73/901135273.db2.gz PVXFQAPZIJJFSH-UHFFFAOYSA-N 0 0 400.385 4.303 20 5 HIBDRN O=C(Nc1ccc2c(c1)NC(=O)CC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485913207 901139059 /nfs/dbraw/zinc/13/90/59/901139059.db2.gz IMFYCOQPNALDID-UHFFFAOYSA-N 0 0 417.421 4.311 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(c2c(F)cccc2F)CC1 ZINC000485933908 901157759 /nfs/dbraw/zinc/15/77/59/901157759.db2.gz LHICAHJRXXYDJN-UHFFFAOYSA-N 0 0 416.833 4.095 20 5 HIBDRN O=C(NC[C@H]1CCOc2ccccc21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485937563 901159575 /nfs/dbraw/zinc/15/95/75/901159575.db2.gz UDVVJHLMTOEIPX-GOSISDBHSA-N 0 0 418.449 4.470 20 5 HIBDRN CCCOc1ccc(CCC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1 ZINC000485950247 901170053 /nfs/dbraw/zinc/17/00/53/901170053.db2.gz JTOMNRLRWYLCIN-UHFFFAOYSA-N 0 0 400.431 4.050 20 5 HIBDRN COC(=O)c1cc(NC(=O)CCOc2ccccc2C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000485953422 901172533 /nfs/dbraw/zinc/17/25/33/901172533.db2.gz PFPNKBFOUVPLHG-UHFFFAOYSA-N 0 0 400.431 4.221 20 5 HIBDRN 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O=[N+]([O-])c1ccc(N2CCC[C@H](Oc3ncccc3F)C2)nc1OCc1ccccc1 ZINC000486001240 901216233 /nfs/dbraw/zinc/21/62/33/901216233.db2.gz GZSJAABGVARRRE-KRWDZBQOSA-N 0 0 424.432 4.151 20 5 HIBDRN O=c1c(Cl)c(/C=C/c2csc([N+](=O)[O-])c2)nc2ccc(Br)cn12 ZINC000486030297 901234431 /nfs/dbraw/zinc/23/44/31/901234431.db2.gz POQRCUKTUCVRND-HNQUOIGGSA-N 0 0 412.652 4.251 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)SCc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000486028078 901234679 /nfs/dbraw/zinc/23/46/79/901234679.db2.gz JKYPSFBUJYYQAF-AWEZNQCLSA-N 0 0 410.517 4.275 20 5 HIBDRN O=[N+]([O-])c1ccn(C2CCN(c3ccc4cc(Br)c(F)cc4n3)CC2)n1 ZINC000486031834 901236459 /nfs/dbraw/zinc/23/64/59/901236459.db2.gz FUQCZVORZKHTTG-UHFFFAOYSA-N 0 0 420.242 4.083 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)s1 ZINC000486034716 901239046 /nfs/dbraw/zinc/23/90/46/901239046.db2.gz HTUOFFUPNADTQT-XHSDSOJGSA-N 0 0 406.529 4.222 20 5 HIBDRN C[C@@H](Oc1ccccc1Br)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486070538 901263318 /nfs/dbraw/zinc/26/33/18/901263318.db2.gz ORUJLHFWYURRIZ-CYBMUJFWSA-N 0 0 419.275 4.316 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(C3CCN(c4ccc5cccc(O)c5n4)CC3)n2)cc1 ZINC000486084789 901274520 /nfs/dbraw/zinc/27/45/20/901274520.db2.gz XLUHBWUAGFNWFG-UHFFFAOYSA-N 0 0 417.425 4.283 20 5 HIBDRN O=C(NCc1ccc2c(c1)COC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486090677 901279658 /nfs/dbraw/zinc/27/96/58/901279658.db2.gz VDMYPMASUOGRMV-UHFFFAOYSA-N 0 0 404.422 4.134 20 5 HIBDRN Cc1noc(C)c1[C@H](C)CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486113332 901298919 /nfs/dbraw/zinc/29/89/19/901298919.db2.gz YDJSNZANMWUKCQ-CQSZACIVSA-N 0 0 409.442 4.312 20 5 HIBDRN C[C@@H]1N(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000486123136 901310816 /nfs/dbraw/zinc/31/08/16/901310816.db2.gz PLXGJKZATZSQFC-KRWDZBQOSA-N 0 0 410.470 4.205 20 5 HIBDRN C[S@@](=O)Cc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486126106 901313672 /nfs/dbraw/zinc/31/36/72/901313672.db2.gz 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ZINC000488006359 902525602 /nfs/dbraw/zinc/52/56/02/902525602.db2.gz FNMISBKAZXBFRX-MRXNPFEDSA-N 0 0 410.474 4.025 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000488011904 902533496 /nfs/dbraw/zinc/53/34/96/902533496.db2.gz ZONQAZZBLOTNIT-GHMZBOCLSA-N 0 0 413.400 4.092 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] ZINC000488041396 902557315 /nfs/dbraw/zinc/55/73/15/902557315.db2.gz HRCIQAVIZDGRFZ-CQSZACIVSA-N 0 0 412.421 4.292 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488042124 902557714 /nfs/dbraw/zinc/55/77/14/902557714.db2.gz JXSVTIUUJCUOJF-AWEZNQCLSA-N 0 0 410.449 4.265 20 5 HIBDRN CC(=O)c1ccc(N[C@H]2CCN(c3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 ZINC000488049366 902563436 /nfs/dbraw/zinc/56/34/36/902563436.db2.gz KEYOYUBLVJQAAK-HNNXBMFYSA-N 0 0 404.264 4.251 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488053125 902567013 /nfs/dbraw/zinc/56/70/13/902567013.db2.gz SRMDVDQNKMYJKG-CQSZACIVSA-N 0 0 424.423 4.160 20 5 HIBDRN Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000488061600 902574547 /nfs/dbraw/zinc/57/45/47/902574547.db2.gz ZOEHTZBFOPZUCU-OAHLLOKOSA-N 0 0 416.499 4.463 20 5 HIBDRN COc1ccc(-c2noc(CCCC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000488094396 902598668 /nfs/dbraw/zinc/59/86/68/902598668.db2.gz QDIBVDQVWOEPJQ-OAHLLOKOSA-N 0 0 424.457 4.162 20 5 HIBDRN COC(=O)c1cccc(NC2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)c1 ZINC000488119279 902618565 /nfs/dbraw/zinc/61/85/65/902618565.db2.gz SKIRQMACIMYXGP-UHFFFAOYSA-N 0 0 406.442 4.011 20 5 HIBDRN O=c1c(Br)cc(C(F)(F)F)cn1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000488123042 902620761 /nfs/dbraw/zinc/62/07/61/902620761.db2.gz ININPTOSKNYATP-UHFFFAOYSA-N 0 0 411.561 4.240 20 5 HIBDRN O=[N+]([O-])c1cnc2ccccc2c1Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000488122177 902620797 /nfs/dbraw/zinc/62/07/97/902620797.db2.gz GTALKVSUMCVHKW-UHFFFAOYSA-N 0 0 403.398 4.148 20 5 HIBDRN Cc1nc(C)c(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)s1 ZINC000488124925 902622636 /nfs/dbraw/zinc/62/26/36/902622636.db2.gz RJCPKBCVMLPSII-UHFFFAOYSA-N 0 0 410.499 4.253 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488137027 902633169 /nfs/dbraw/zinc/63/31/69/902633169.db2.gz IUMCUTJIUROUPT-AWEZNQCLSA-N 0 0 419.865 4.023 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])o2)cs1 ZINC000488200429 902682547 /nfs/dbraw/zinc/68/25/47/902682547.db2.gz OTABQMNREQXPHO-UHFFFAOYSA-N 0 0 400.460 4.354 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(OCc2ccccc2)CC1 ZINC000488287254 902749957 /nfs/dbraw/zinc/74/99/57/902749957.db2.gz JBGSXABSCDPRMU-UHFFFAOYSA-N 0 0 417.893 4.182 20 5 HIBDRN CN(Cc1ccccc1N1CCCC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488325294 902764864 /nfs/dbraw/zinc/76/48/64/902764864.db2.gz KCWJKNSXMVTDQJ-UHFFFAOYSA-N 0 0 416.909 4.233 20 5 HIBDRN CCOc1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1OC ZINC000488343331 902778163 /nfs/dbraw/zinc/77/81/63/902778163.db2.gz AGJNYWMILMUMGU-UHFFFAOYSA-N 0 0 413.352 4.343 20 5 HIBDRN C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000488372394 902785150 /nfs/dbraw/zinc/78/51/50/902785150.db2.gz ORSPAQWBYHZCOW-PXAZEXFGSA-N 0 0 409.895 4.024 20 5 HIBDRN CCCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCc2ccccc2C1 ZINC000488395330 902805258 /nfs/dbraw/zinc/80/52/58/902805258.db2.gz XEGGRRHJEMHLSW-LJQANCHMSA-N 0 0 404.470 4.190 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000488455037 902833124 /nfs/dbraw/zinc/83/31/24/902833124.db2.gz AFGCQWIHABHHDO-UHFFFAOYSA-N 0 0 401.488 4.297 20 5 HIBDRN CCOc1ccc(CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C(C)C)cc1 ZINC000488460448 902836354 /nfs/dbraw/zinc/83/63/54/902836354.db2.gz QCAXSKIJTYDYAG-UHFFFAOYSA-N 0 0 408.458 4.230 20 5 HIBDRN CC(C)Oc1c(Cl)cccc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488504053 902859904 /nfs/dbraw/zinc/85/99/04/902859904.db2.gz KKZPDHRTLCUZOT-UHFFFAOYSA-N 0 0 407.858 4.101 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccn1 ZINC000488560464 902884591 /nfs/dbraw/zinc/88/45/91/902884591.db2.gz PCCJJJUBRRKQPR-UHFFFAOYSA-N 0 0 408.258 4.349 20 5 HIBDRN CNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1C ZINC000488616906 902902989 /nfs/dbraw/zinc/90/29/89/902902989.db2.gz IQDPUUBVBVOGKL-UHFFFAOYSA-N 0 0 401.488 4.263 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CSCc1cc(-c2cccs2)on1 ZINC000488674490 902935656 /nfs/dbraw/zinc/93/56/56/902935656.db2.gz UXQBONFFKOPIJV-UHFFFAOYSA-N 0 0 403.485 4.203 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-c2ccccc2)cc1F ZINC000488674725 902935786 /nfs/dbraw/zinc/93/57/86/902935786.db2.gz JYXBUTBVKROEIA-UHFFFAOYSA-N 0 0 400.431 4.417 20 5 HIBDRN CCc1cccnc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000506006107 914679452 /nfs/dbraw/zinc/67/94/52/914679452.db2.gz BBNAPDHJIBJQHR-UHFFFAOYSA-N 0 0 406.229 4.297 20 5 HIBDRN O=[N+]([O-])c1ccc2nc(N[C@H](CO)c3ccc(Br)c(F)c3)ccc2c1 ZINC000488736412 902971997 /nfs/dbraw/zinc/97/19/97/902971997.db2.gz PXJKTSBZANGXHF-MRXNPFEDSA-N 0 0 406.211 4.190 20 5 HIBDRN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488785377 903000315 /nfs/dbraw/zinc/00/03/15/903000315.db2.gz OXTHIORWGWNACZ-UHFFFAOYSA-N 0 0 413.522 4.314 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Cl)s2)o1 ZINC000488852298 903042492 /nfs/dbraw/zinc/04/24/92/903042492.db2.gz JSEPUIHIPRGGPG-UHFFFAOYSA-N 0 0 410.864 4.399 20 5 HIBDRN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000488872704 903051491 /nfs/dbraw/zinc/05/14/91/903051491.db2.gz HHOCJQQLTMFMHX-NSHDSACASA-N 0 0 423.395 4.080 20 5 HIBDRN Cc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000488889293 903059287 /nfs/dbraw/zinc/05/92/87/903059287.db2.gz IYQUXCSNDNRRCO-LBPRGKRZSA-N 0 0 413.293 4.047 20 5 HIBDRN COc1ccc(OCCSc2nnc(-c3cccc(Cl)c3)n2C)c([N+](=O)[O-])c1 ZINC000488916490 903073959 /nfs/dbraw/zinc/07/39/59/903073959.db2.gz VSQMOKNVJCQBEH-UHFFFAOYSA-N 0 0 420.878 4.223 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(OC(F)F)c1 ZINC000489103828 903197599 /nfs/dbraw/zinc/19/75/99/903197599.db2.gz KASFRKULEZQEIW-SECBINFHSA-N 0 0 402.300 4.289 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)o2)cs1 ZINC000489130698 903220000 /nfs/dbraw/zinc/22/00/00/903220000.db2.gz CQGKHIWJMGFYLG-GFCCVEGCSA-N 0 0 400.460 4.489 20 5 HIBDRN COc1ccc(C(C)(C)CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000489138752 903226748 /nfs/dbraw/zinc/22/67/48/903226748.db2.gz MABQRIPKVHXEPX-HNNXBMFYSA-N 0 0 415.490 4.258 20 5 HIBDRN CC[C@H](NC(=O)NCc1ccc(OC)c(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000489177389 903245352 /nfs/dbraw/zinc/24/53/52/903245352.db2.gz LEEQNQBYIVARTD-INIZCTEOSA-N 0 0 422.279 4.316 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-n1nc(C)cc1C ZINC000489193799 903252805 /nfs/dbraw/zinc/25/28/05/903252805.db2.gz GNACDIBJMJJOSK-UHFFFAOYSA-N 0 0 410.499 4.439 20 5 HIBDRN Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000489202878 903261844 /nfs/dbraw/zinc/26/18/44/903261844.db2.gz XRHGGLOEMBIPGA-UHFFFAOYSA-N 0 0 405.410 4.043 20 5 HIBDRN Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n1 ZINC000489223734 903273573 /nfs/dbraw/zinc/27/35/73/903273573.db2.gz OMRYLRXUTVYCOY-UHFFFAOYSA-N 0 0 408.483 4.291 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2cc(F)cc(Br)c2)cc1[N+](=O)[O-] ZINC000489268766 903296398 /nfs/dbraw/zinc/29/63/98/903296398.db2.gz VYKZEGJNGPVMQE-NSHDSACASA-N 0 0 410.243 4.365 20 5 HIBDRN O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000489281663 903305835 /nfs/dbraw/zinc/30/58/35/903305835.db2.gz SONBKBHBMHSOHB-UPCLLVRISA-N 0 0 416.452 4.328 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)s1 ZINC000489285160 903308146 /nfs/dbraw/zinc/30/81/46/903308146.db2.gz BMEKWQNHDJMARB-UHFFFAOYSA-N 0 0 403.441 4.112 20 5 HIBDRN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000489379198 903353720 /nfs/dbraw/zinc/35/37/20/903353720.db2.gz VREYYVHYLDISKI-UHFFFAOYSA-N 0 0 412.620 4.388 20 5 HIBDRN CCn1c(S[C@@H](C)C(=O)c2ccc(F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489385165 903356227 /nfs/dbraw/zinc/35/62/27/903356227.db2.gz IILSTUOUJVVUBN-LBPRGKRZSA-N 0 0 400.435 4.376 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000489432649 903381517 /nfs/dbraw/zinc/38/15/17/903381517.db2.gz GPVWCMKQKCJTQB-LJQANCHMSA-N 0 0 418.497 4.243 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(c3noc(C(C)C)n3)CC2)cc1[N+](=O)[O-] ZINC000489460454 903397523 /nfs/dbraw/zinc/39/75/23/903397523.db2.gz VASPRCKECZXGJY-CQSZACIVSA-N 0 0 401.467 4.060 20 5 HIBDRN C[C@H](CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H](C)CO)c1ccccc1 ZINC000489496962 903423478 /nfs/dbraw/zinc/42/34/78/903423478.db2.gz JPYXTMNVYPIPON-MSOLQXFVSA-N 0 0 414.505 4.308 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2cc(N(C)C)nc3ccccc23)cc1[N+](=O)[O-] ZINC000489495775 903423848 /nfs/dbraw/zinc/42/38/48/903423848.db2.gz JDGSGWQYPVQLNF-OAHLLOKOSA-N 0 0 407.474 4.078 20 5 HIBDRN Cc1ccc(OCc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])o2)c(C)c1 ZINC000506034442 914716661 /nfs/dbraw/zinc/71/66/61/914716661.db2.gz DOPFQMJWUGPBPY-UHFFFAOYSA-N 0 0 409.442 4.226 20 5 HIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000489572716 903470816 /nfs/dbraw/zinc/47/08/16/903470816.db2.gz RTRRUHCIBLMUIS-GFCCVEGCSA-N 0 0 416.384 4.181 20 5 HIBDRN CCn1c(SCCOc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 ZINC000489656704 903521481 /nfs/dbraw/zinc/52/14/81/903521481.db2.gz OBLIWXKFGAMDDB-UHFFFAOYSA-N 0 0 418.450 4.192 20 5 HIBDRN CCn1c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 ZINC000489667103 903530941 /nfs/dbraw/zinc/53/09/41/903530941.db2.gz NRADHXCMWGRSDD-UHFFFAOYSA-N 0 0 415.450 4.052 20 5 HIBDRN O=C(NCc1cccnc1OC1CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489814308 903610149 /nfs/dbraw/zinc/61/01/49/903610149.db2.gz YKBIGVMSAJPYON-UHFFFAOYSA-N 0 0 410.474 4.185 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1[N+](=O)[O-] ZINC000489916102 903671892 /nfs/dbraw/zinc/67/18/92/903671892.db2.gz HFWBBEFGJIFQNA-KUHUBIRLSA-N 0 0 404.898 4.220 20 5 HIBDRN Cc1csc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1Br ZINC000489915467 903672176 /nfs/dbraw/zinc/67/21/76/903672176.db2.gz FRKADTJTDKMVFI-UHFFFAOYSA-N 0 0 407.249 4.165 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC000489953841 903694462 /nfs/dbraw/zinc/69/44/62/903694462.db2.gz DKVMFXIOUWWOAR-UHFFFAOYSA-N 0 0 424.482 4.067 20 5 HIBDRN CC[C@@H](NC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000489967442 903701797 /nfs/dbraw/zinc/70/17/97/903701797.db2.gz YKQVBMNGLBRKMZ-LJQANCHMSA-N 0 0 410.474 4.494 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000490032318 903733737 /nfs/dbraw/zinc/73/37/37/903733737.db2.gz MZPFBRQJKYKQGV-GDBMZVCRSA-N 0 0 402.882 4.152 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490041796 903737739 /nfs/dbraw/zinc/73/77/39/903737739.db2.gz GUPIYRRJPHBEFD-SNVBAGLBSA-N 0 0 402.398 4.058 20 5 HIBDRN CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490044259 903740043 /nfs/dbraw/zinc/74/00/43/903740043.db2.gz QXWCYRBLAXJMNX-INIZCTEOSA-N 0 0 423.473 4.192 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1cccc(F)c1 ZINC000506051612 914748805 /nfs/dbraw/zinc/74/88/05/914748805.db2.gz MYXNKJWSFOKLFU-UHFFFAOYSA-N 0 0 401.419 4.147 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000490192197 903818411 /nfs/dbraw/zinc/81/84/11/903818411.db2.gz CGIDWCSHCUBWIC-UHFFFAOYSA-N 0 0 420.918 4.301 20 5 HIBDRN CCc1noc(CC)c1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000490194179 903819620 /nfs/dbraw/zinc/81/96/20/903819620.db2.gz STUZSNHCFDEUCE-UHFFFAOYSA-N 0 0 408.458 4.250 20 5 HIBDRN O=C(Nc1cc(F)c(OC(F)F)cc1F)c1ccc([N+](=O)[O-])cc1Br ZINC000490274047 903869341 /nfs/dbraw/zinc/86/93/41/903869341.db2.gz ROPDFBPMVUVZQG-UHFFFAOYSA-N 0 0 423.116 4.489 20 5 HIBDRN CC(C)Cn1ncc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C1CC1 ZINC000490282526 903872833 /nfs/dbraw/zinc/87/28/33/903872833.db2.gz HPYKHAWRIPXKSI-UHFFFAOYSA-N 0 0 407.268 4.340 20 5 HIBDRN Cc1c(CC(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490300199 903888950 /nfs/dbraw/zinc/88/89/50/903888950.db2.gz OSABACJQTWTCNY-UGKGYDQZSA-N 0 0 417.456 4.064 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490323900 903905110 /nfs/dbraw/zinc/90/51/10/903905110.db2.gz BYRGBDKRNLBGOT-HNNXBMFYSA-N 0 0 400.504 4.019 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2ccccc2CO)CC1 ZINC000490360875 903953655 /nfs/dbraw/zinc/95/36/55/903953655.db2.gz FBKXLDRCVUBVAQ-UHFFFAOYSA-N 0 0 414.527 4.294 20 5 HIBDRN COc1cc(CN2C[C@@H](C)OC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490374282 903966319 /nfs/dbraw/zinc/96/63/19/903966319.db2.gz SJDWFWBLHIONTL-KDOFPFPSSA-N 0 0 422.428 4.209 20 5 HIBDRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000490373865 903966337 /nfs/dbraw/zinc/96/63/37/903966337.db2.gz UGOZLIAAYVOZSV-AWEZNQCLSA-N 0 0 409.446 4.218 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H]1CCCc2sc(Cl)cc21 ZINC000490379895 903972509 /nfs/dbraw/zinc/97/25/09/903972509.db2.gz UVDZOWXPKZLXNF-NSHDSACASA-N 0 0 405.867 4.063 20 5 HIBDRN COc1cc(CNc2cccc(-c3noc(C)n3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490395115 903979946 /nfs/dbraw/zinc/97/99/46/903979946.db2.gz BUNOLIFKKYZTFC-UHFFFAOYSA-N 0 0 420.372 4.218 20 5 HIBDRN CC(C)(NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000490444909 904014867 /nfs/dbraw/zinc/01/48/67/904014867.db2.gz DAUKITSNDRETLU-UHFFFAOYSA-N 0 0 403.287 4.256 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCc2ccccn2)C1 ZINC000490590214 904121686 /nfs/dbraw/zinc/12/16/86/904121686.db2.gz VJUXACMGBYBIPL-GOSISDBHSA-N 0 0 415.515 4.169 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000490604063 904130308 /nfs/dbraw/zinc/13/03/08/904130308.db2.gz CKDPYGJFKCCMDZ-CRAIPNDOSA-N 0 0 402.520 4.263 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000490614502 904137152 /nfs/dbraw/zinc/13/71/52/904137152.db2.gz NBBYMCONIKLWIX-CYBMUJFWSA-N 0 0 405.401 4.287 20 5 HIBDRN CCn1c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)nc2ccc(F)cc21 ZINC000490760659 904215674 /nfs/dbraw/zinc/21/56/74/904215674.db2.gz UYMIXQCZVOFTTJ-UHFFFAOYSA-N 0 0 411.418 4.479 20 5 HIBDRN CCn1c2cc(F)ccc2nc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000490765855 904218608 /nfs/dbraw/zinc/21/86/08/904218608.db2.gz CCTPRPYCMBDUIA-UHFFFAOYSA-N 0 0 421.226 4.047 20 5 HIBDRN COc1cc(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)cc([N+](=O)[O-])c1OC ZINC000490885945 904302972 /nfs/dbraw/zinc/30/29/72/904302972.db2.gz GSWPZRLYAYQHBX-CQSZACIVSA-N 0 0 412.364 4.078 20 5 HIBDRN C[C@@H]1CCN2[C@H](c3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)NC(=O)[C@@H]2C1 ZINC000490910684 904314732 /nfs/dbraw/zinc/31/47/32/904314732.db2.gz ODZNSAPGWGRJFW-RNRVQEDPSA-N 0 0 401.850 4.269 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000491021826 904373825 /nfs/dbraw/zinc/37/38/25/904373825.db2.gz VHXRKZATWIPPHI-UHFFFAOYSA-N 0 0 411.270 4.257 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000491055877 904399653 /nfs/dbraw/zinc/39/96/53/904399653.db2.gz IDCYAXGWCSECIV-UHFFFAOYSA-N 0 0 416.478 4.331 20 5 HIBDRN CC[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000491074512 904413301 /nfs/dbraw/zinc/41/33/01/904413301.db2.gz AMVZYJAIACXZNZ-MRXNPFEDSA-N 0 0 401.463 4.298 20 5 HIBDRN O=C(NCc1ccc(C2CC2)cc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000491282793 904517213 /nfs/dbraw/zinc/51/72/13/904517213.db2.gz JJDJNBWFMAUGRG-UHFFFAOYSA-N 0 0 413.449 4.364 20 5 HIBDRN CO[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccc(Cl)c1 ZINC000491313078 904530987 /nfs/dbraw/zinc/53/09/87/904530987.db2.gz SBNABQFIUYSSQF-LJQANCHMSA-N 0 0 403.866 4.310 20 5 HIBDRN Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)C1CCCC1 ZINC000491317473 904534197 /nfs/dbraw/zinc/53/41/97/904534197.db2.gz TXMBIHWSMANMHG-UHFFFAOYSA-N 0 0 416.499 4.109 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)cc1[N+](=O)[O-] ZINC000491329512 904538887 /nfs/dbraw/zinc/53/88/87/904538887.db2.gz MSQKGSAXDLHVIC-UHFFFAOYSA-N 0 0 416.499 4.434 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1)c1ccccc1[N+](=O)[O-] ZINC000491334125 904542843 /nfs/dbraw/zinc/54/28/43/904542843.db2.gz RUTDJVARSFPCOT-SFHVURJKSA-N 0 0 420.412 4.074 20 5 HIBDRN CC[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Oc1ccccc1F ZINC000491345783 904549676 /nfs/dbraw/zinc/54/96/76/904549676.db2.gz IJOYWLXOFLAMJU-SFHVURJKSA-N 0 0 401.438 4.266 20 5 HIBDRN O=C(NCc1c(F)cccc1OC(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491420788 904586178 /nfs/dbraw/zinc/58/61/78/904586178.db2.gz DWFUNROBWPXKHZ-UHFFFAOYSA-N 0 0 409.364 4.210 20 5 HIBDRN CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000491849977 904711390 /nfs/dbraw/zinc/71/13/90/904711390.db2.gz LROCLYWAYRYHOU-UHFFFAOYSA-N 0 0 415.799 4.015 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)cc([N+](=O)[O-])c1OC ZINC000492078683 904790118 /nfs/dbraw/zinc/79/01/18/904790118.db2.gz INJAMDFNJOHEBS-ZDUSSCGKSA-N 0 0 410.348 4.308 20 5 HIBDRN O=[N+]([O-])c1ccc(CNc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c(F)c1 ZINC000492192620 904811832 /nfs/dbraw/zinc/81/18/32/904811832.db2.gz HZJVVKHXQXMBLJ-UHFFFAOYSA-N 0 0 415.446 4.288 20 5 HIBDRN CCOc1cc(CSc2ncnc3c2cnn3-c2ccccc2)ccc1[N+](=O)[O-] ZINC000492258480 904824696 /nfs/dbraw/zinc/82/46/96/904824696.db2.gz NIILEZNAKNFVJU-UHFFFAOYSA-N 0 0 407.455 4.415 20 5 HIBDRN COc1cc([C@@H](NCc2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc(OC)c1OC ZINC000492583107 904873833 /nfs/dbraw/zinc/87/38/33/904873833.db2.gz ZGEGKUQIZHIGHW-QGZVFWFLSA-N 0 0 400.353 4.014 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000492751604 904897434 /nfs/dbraw/zinc/89/74/34/904897434.db2.gz UAJYSDGEZQJLMX-MRVPVSSYSA-N 0 0 402.209 4.488 20 5 HIBDRN CCOc1cc(CN[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)ccc1[N+](=O)[O-] ZINC000492821391 904915760 /nfs/dbraw/zinc/91/57/60/904915760.db2.gz YLKGPAIDVXGJEJ-ZDUSSCGKSA-N 0 0 400.410 4.342 20 5 HIBDRN CCOc1cc(CN[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)ccc1[N+](=O)[O-] ZINC000492821389 904916449 /nfs/dbraw/zinc/91/64/49/904916449.db2.gz YLKGPAIDVXGJEJ-CYBMUJFWSA-N 0 0 400.410 4.342 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000492847561 904924783 /nfs/dbraw/zinc/92/47/83/904924783.db2.gz NLMIUGZXKLSZAR-UHFFFAOYSA-N 0 0 403.438 4.227 20 5 HIBDRN CCOc1cc(CN[C@@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000492872399 904929996 /nfs/dbraw/zinc/92/99/96/904929996.db2.gz KUFWNGKGDHHTSZ-QGZVFWFLSA-N 0 0 421.379 4.010 20 5 HIBDRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)CCCn1c(=O)oc3cc([N+](=O)[O-])ccc31)CC2 ZINC000492886037 904936176 /nfs/dbraw/zinc/93/61/76/904936176.db2.gz DQMFFMWAEWKODH-IBGZPJMESA-N 0 0 423.469 4.210 20 5 HIBDRN COCCN(Cc1cc(Br)cs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000492934796 904953909 /nfs/dbraw/zinc/95/39/09/904953909.db2.gz BLIAEJZZWWODNM-UHFFFAOYSA-N 0 0 414.281 4.099 20 5 HIBDRN O=C(c1n[nH]c2ccc(Br)cc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492963283 904967875 /nfs/dbraw/zinc/96/78/75/904967875.db2.gz RUDKWZAYSRYCQT-UHFFFAOYSA-N 0 0 415.247 4.038 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1[N+](=O)[O-] ZINC000493033538 904994556 /nfs/dbraw/zinc/99/45/56/904994556.db2.gz OAKBQVYRSZZQOO-CQSZACIVSA-N 0 0 422.938 4.207 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000493073529 905009827 /nfs/dbraw/zinc/00/98/27/905009827.db2.gz AEGHZENVTUUTGI-ULQDDVLXSA-N 0 0 412.490 4.400 20 5 HIBDRN COc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(OC)c1OC(F)F ZINC000493104170 905018744 /nfs/dbraw/zinc/01/87/44/905018744.db2.gz IHKGCPHRJWVEFG-UHFFFAOYSA-N 0 0 422.384 4.018 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1[N+](=O)[O-] ZINC000493211143 905052565 /nfs/dbraw/zinc/05/25/65/905052565.db2.gz OIUSXMKCVAAXRF-ORAYPTAESA-N 0 0 405.401 4.026 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000493249225 905066576 /nfs/dbraw/zinc/06/65/76/905066576.db2.gz BAAGICVOYUNOTA-HNNXBMFYSA-N 0 0 401.438 4.356 20 5 HIBDRN COCCN(Cc1ccc(Br)s1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000493442592 905123207 /nfs/dbraw/zinc/12/32/07/905123207.db2.gz NFBNSQOISDXALV-UHFFFAOYSA-N 0 0 406.689 4.120 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN[C@@H](c3c(F)cccc3F)C(F)(F)F)n2)cc1 ZINC000506267839 914872837 /nfs/dbraw/zinc/87/28/37/914872837.db2.gz HEVBJYKGBQGNLG-HNNXBMFYSA-N 0 0 414.290 4.316 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2cccs2)cc1[N+](=O)[O-] ZINC000493684517 905193731 /nfs/dbraw/zinc/19/37/31/905193731.db2.gz QUPAFNGLNMJRAN-QGZVFWFLSA-N 0 0 409.467 4.003 20 5 HIBDRN COc1cccc(-c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)n(C)n2)c1 ZINC000493701458 905196012 /nfs/dbraw/zinc/19/60/12/905196012.db2.gz DCJPROMDNAMLHZ-UHFFFAOYSA-N 0 0 420.347 4.275 20 5 HIBDRN CCCCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000493959857 905309469 /nfs/dbraw/zinc/30/94/69/905309469.db2.gz HJHNSOHHVOHVRV-INIZCTEOSA-N 0 0 413.474 4.206 20 5 HIBDRN O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000493982758 905325263 /nfs/dbraw/zinc/32/52/63/905325263.db2.gz BOETZHQVSYQWQX-UHFFFAOYSA-N 0 0 420.454 4.281 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(OCCC(C)C)c2)cc1[N+](=O)[O-] ZINC000493991729 905335527 /nfs/dbraw/zinc/33/55/27/905335527.db2.gz ITVBMQYJJBTETL-MRXNPFEDSA-N 0 0 413.474 4.144 20 5 HIBDRN COc1cc(CNc2ccc3oc(N(C)C)nc3c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494020552 905360521 /nfs/dbraw/zinc/36/05/21/905360521.db2.gz NVHLHWMRNRLJCO-UHFFFAOYSA-N 0 0 422.388 4.067 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)cs1 ZINC000494025371 905365256 /nfs/dbraw/zinc/36/52/56/905365256.db2.gz BNGZCAQUJCQVAX-CYBMUJFWSA-N 0 0 424.482 4.151 20 5 HIBDRN CSc1cnn(-c2ccccc2)c1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000494051671 905390797 /nfs/dbraw/zinc/39/07/97/905390797.db2.gz VUSFWEQDQNUUKW-UHFFFAOYSA-N 0 0 409.471 4.093 20 5 HIBDRN CC[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1OC(F)F ZINC000512415988 921145143 /nfs/dbraw/zinc/14/51/43/921145143.db2.gz SKGPEQXESSZDPR-INIZCTEOSA-N 0 0 416.384 4.263 20 5 HIBDRN Cc1cc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CCO2)ccc1F ZINC000494150496 905487565 /nfs/dbraw/zinc/48/75/65/905487565.db2.gz DKWPKUFBJREXSA-KRWDZBQOSA-N 0 0 412.339 4.275 20 5 HIBDRN CC(C)N1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494170051 905505713 /nfs/dbraw/zinc/50/57/13/905505713.db2.gz ITPWXENDTXREPT-PKOBYXMFSA-N 0 0 423.847 4.480 20 5 HIBDRN 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ZINC000496445516 906681317 /nfs/dbraw/zinc/68/13/17/906681317.db2.gz AENGCNLPLIKOIG-QHCPKHFHSA-N 0 0 421.501 4.085 20 5 HIBDRN CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000496478447 906691387 /nfs/dbraw/zinc/69/13/87/906691387.db2.gz ZCRPSJRREWRUJG-HSZRJFAPSA-N 0 0 405.454 4.315 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000496534218 906705565 /nfs/dbraw/zinc/70/55/65/906705565.db2.gz MQKYSUQZJHSHLM-UHFFFAOYSA-N 0 0 413.421 4.023 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)cc([N+](=O)[O-])c1 ZINC000496668918 906732263 /nfs/dbraw/zinc/73/22/63/906732263.db2.gz GLBONOARXMFFQF-UHFFFAOYSA-N 0 0 416.430 4.164 20 5 HIBDRN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000497158960 906813736 /nfs/dbraw/zinc/81/37/36/906813736.db2.gz DWESPWXMZQIRCW-UHFFFAOYSA-N 0 0 412.446 4.371 20 5 HIBDRN CNS(=O)(=O)c1cc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1C ZINC000512639164 921270904 /nfs/dbraw/zinc/27/09/04/921270904.db2.gz 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COc1cc(C)c([C@@H](C)NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000497507289 906996432 /nfs/dbraw/zinc/99/64/32/906996432.db2.gz VFGSKMOEDPIRFN-MRXNPFEDSA-N 0 0 415.490 4.304 20 5 HIBDRN CN1CCO[C@@H]([C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000497514508 907006035 /nfs/dbraw/zinc/00/60/35/907006035.db2.gz DPRZCPADVJQNNE-WOJBJXKFSA-N 0 0 412.877 4.280 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497563931 907050682 /nfs/dbraw/zinc/05/06/82/907050682.db2.gz OKJCZJFCDIQDFI-GFCCVEGCSA-N 0 0 418.812 4.287 20 5 HIBDRN Cc1cc([C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000497591200 907073331 /nfs/dbraw/zinc/07/33/31/907073331.db2.gz VYDDTXNSWMQIAO-QGZVFWFLSA-N 0 0 412.339 4.275 20 5 HIBDRN CC(C)(C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000497704462 907207600 /nfs/dbraw/zinc/20/76/00/907207600.db2.gz HVNIOYXJALDPQI-FUHWJXTLSA-N 0 0 406.841 4.311 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000512766558 921304175 /nfs/dbraw/zinc/30/41/75/921304175.db2.gz KDMWRKUKOGRNEA-AWEZNQCLSA-N 0 0 408.520 4.291 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1C ZINC000497753532 907245044 /nfs/dbraw/zinc/24/50/44/907245044.db2.gz QEIZNVXACKHSJH-UHFFFAOYSA-N 0 0 403.287 4.339 20 5 HIBDRN O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497805539 907288734 /nfs/dbraw/zinc/28/87/34/907288734.db2.gz XTERTLIRDWYJCO-CQSZACIVSA-N 0 0 422.384 4.396 20 5 HIBDRN Cc1cccc(Cn2nccc2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000497804217 907289039 /nfs/dbraw/zinc/28/90/39/907289039.db2.gz NLPCBSDWBZANOJ-UHFFFAOYSA-N 0 0 402.357 4.002 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000497899248 907372584 /nfs/dbraw/zinc/37/25/84/907372584.db2.gz MNNGEEQOQZRPJZ-CVEARBPZSA-N 0 0 416.302 4.152 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000512813721 921319007 /nfs/dbraw/zinc/31/90/07/921319007.db2.gz ACDKZHDBSMKXSK-FQEVSTJZSA-N 0 0 403.442 4.423 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(Cc3cccs3)C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000497918379 907389271 /nfs/dbraw/zinc/38/92/71/907389271.db2.gz VAHQWVKGTYGFHZ-UHFFFAOYSA-N 0 0 410.499 4.323 20 5 HIBDRN CC(C)(C)c1nc(CCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000497933535 907398520 /nfs/dbraw/zinc/39/85/20/907398520.db2.gz DCKYPSFBCIFAPN-UHFFFAOYSA-N 0 0 404.536 4.213 20 5 HIBDRN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000497948557 907417647 /nfs/dbraw/zinc/41/76/47/907417647.db2.gz ABTXASGGMGZVHF-OAHLLOKOSA-N 0 0 418.418 4.050 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc(-c2cccs2)ns1 ZINC000497977781 907450324 /nfs/dbraw/zinc/45/03/24/907450324.db2.gz WOGFMYCTYWSFHB-MRVPVSSYSA-N 0 0 410.864 4.234 20 5 HIBDRN COC(=O)CCN(C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(C)C ZINC000497979284 907452335 /nfs/dbraw/zinc/45/23/35/907452335.db2.gz CJRGXEATHFSGBB-UHFFFAOYSA-N 0 0 416.499 4.468 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000498003430 907489824 /nfs/dbraw/zinc/48/98/24/907489824.db2.gz VPSUPXIHAUWNOM-OAHLLOKOSA-N 0 0 403.276 4.371 20 5 HIBDRN Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000498012849 907505343 /nfs/dbraw/zinc/50/53/43/907505343.db2.gz MVYXZSJLPRYLEQ-OAHLLOKOSA-N 0 0 403.276 4.371 20 5 HIBDRN COc1ccccc1C(=O)N1[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]2CCCC[C@@H]21 ZINC000498046707 907556723 /nfs/dbraw/zinc/55/67/23/907556723.db2.gz LRUZNIFICZBFOR-XPGWFJOJSA-N 0 0 423.469 4.015 20 5 HIBDRN O=[N+]([O-])c1cc(CSCc2csc(-c3ccccn3)n2)c2c(c1)COCO2 ZINC000498105324 907613353 /nfs/dbraw/zinc/61/33/53/907613353.db2.gz BIRUEOZKYOORCD-UHFFFAOYSA-N 0 0 401.469 4.413 20 5 HIBDRN CC(C)(C)Oc1cccc(CCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000498141475 907663518 /nfs/dbraw/zinc/66/35/18/907663518.db2.gz ZHSWNUDXXVVVRC-FQEVSTJZSA-N 0 0 415.515 4.374 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)n1 ZINC000498143983 907666207 /nfs/dbraw/zinc/66/62/07/907666207.db2.gz KGFZIOKJHPRQRR-INIZCTEOSA-N 0 0 415.453 4.437 20 5 HIBDRN O=C(NC1CCCC1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000498169656 907698406 /nfs/dbraw/zinc/69/84/06/907698406.db2.gz IUBKCGWRVFAJKZ-UHFFFAOYSA-N 0 0 404.426 4.068 20 5 HIBDRN CC(C)(C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccccc1[N+](=O)[O-] ZINC000498212322 907744061 /nfs/dbraw/zinc/74/40/61/907744061.db2.gz OEENMEJAIMACQA-ZDUSSCGKSA-N 0 0 405.857 4.060 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1coc(-c2ccc(Br)cc2F)n1 ZINC000498235973 907768160 /nfs/dbraw/zinc/76/81/60/907768160.db2.gz DSCMAPHOSSRJLQ-UHFFFAOYSA-N 0 0 406.167 4.404 20 5 HIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000498236801 907769786 /nfs/dbraw/zinc/76/97/86/907769786.db2.gz LIOYZKLPFGSEPM-INIZCTEOSA-N 0 0 422.384 4.191 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000498237801 907769795 /nfs/dbraw/zinc/76/97/95/907769795.db2.gz QHTJYBDJTWQGAA-CYBMUJFWSA-N 0 0 412.414 4.079 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000498238106 907771945 /nfs/dbraw/zinc/77/19/45/907771945.db2.gz RNKPYODGCOKDMT-IBGZPJMESA-N 0 0 424.432 4.257 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n(-c2ccccc2C)n1 ZINC000498244117 907780261 /nfs/dbraw/zinc/78/02/61/907780261.db2.gz IPHHBPLPKCIWMV-UHFFFAOYSA-N 0 0 402.357 4.251 20 5 HIBDRN O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498289750 907821168 /nfs/dbraw/zinc/82/11/68/907821168.db2.gz CCCMMAIACWSSDG-UHFFFAOYSA-N 0 0 412.405 4.392 20 5 HIBDRN O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1)c1ccoc1 ZINC000498290146 907821652 /nfs/dbraw/zinc/82/16/52/907821652.db2.gz FXLJBFILLYWFEY-UHFFFAOYSA-N 0 0 402.366 4.241 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1nc(-c2ccncc2)cs1 ZINC000498303481 907829539 /nfs/dbraw/zinc/82/95/39/907829539.db2.gz KSZHMNFKPKJKBR-GFCCVEGCSA-N 0 0 405.439 4.153 20 5 HIBDRN COc1cc(CNCc2nc3c(cccc3C)[nH]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000498352551 907853800 /nfs/dbraw/zinc/85/38/00/907853800.db2.gz HVMPELAHTJXKPZ-UHFFFAOYSA-N 0 0 424.379 4.019 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](CO)c3ccccc32)cc1 ZINC000498370528 907862325 /nfs/dbraw/zinc/86/23/25/907862325.db2.gz DCVCYKLBFUGTKL-HNNXBMFYSA-N 0 0 420.421 4.132 20 5 HIBDRN COc1ccc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1[N+](=O)[O-] ZINC000498468177 907936666 /nfs/dbraw/zinc/93/66/66/907936666.db2.gz HMEFTWDTKOLKEG-UHFFFAOYSA-N 0 0 417.421 4.059 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000498474080 907944198 /nfs/dbraw/zinc/94/41/98/907944198.db2.gz ZDFSDQYFCLEFGE-GOSISDBHSA-N 0 0 402.882 4.077 20 5 HIBDRN CCn1cnnc1-c1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000498483025 907953945 /nfs/dbraw/zinc/95/39/45/907953945.db2.gz GXLMUZLGYRAXJU-UHFFFAOYSA-N 0 0 420.454 4.249 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)NCCC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000498524271 907994180 /nfs/dbraw/zinc/99/41/80/907994180.db2.gz NEIQTDNBEUGGGF-UHFFFAOYSA-N 0 0 421.563 4.256 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)c1ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c1)CC2 ZINC000512873704 921371581 /nfs/dbraw/zinc/37/15/81/921371581.db2.gz DLDBNQIRNBOWHB-MRXNPFEDSA-N 0 0 409.486 4.038 20 5 HIBDRN CC(=O)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC12CCCCC2 ZINC000498611536 908059231 /nfs/dbraw/zinc/05/92/31/908059231.db2.gz CDABIZKFPVDWTC-UHFFFAOYSA-N 0 0 401.510 4.395 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000498681016 908111581 /nfs/dbraw/zinc/11/15/81/908111581.db2.gz CZCUHAKNNHRKTA-UHFFFAOYSA-N 0 0 403.438 4.418 20 5 HIBDRN Cc1cc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc([N+](=O)[O-])c1 ZINC000498716964 908141456 /nfs/dbraw/zinc/14/14/56/908141456.db2.gz NEJHZGGQVIKGFI-UHFFFAOYSA-N 0 0 421.419 4.316 20 5 HIBDRN COC[C@@H]1CCN1C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000498787766 908202585 /nfs/dbraw/zinc/20/25/85/908202585.db2.gz KDHGNVNALFNKCU-ZDUSSCGKSA-N 0 0 415.496 4.217 20 5 HIBDRN CCOc1ccc(C(=O)N(CC)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000498791717 908204202 /nfs/dbraw/zinc/20/42/02/908204202.db2.gz QGXCSFHDTJLCMN-UHFFFAOYSA-N 0 0 407.264 4.418 20 5 HIBDRN CCOc1cccc([C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000498809746 908218136 /nfs/dbraw/zinc/21/81/36/908218136.db2.gz ZGOOKMIIPNPBJA-GFCCVEGCSA-N 0 0 412.364 4.426 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@H]2CCSc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000498814015 908222333 /nfs/dbraw/zinc/22/23/33/908222333.db2.gz LQHMQZBYCBGHHB-HNNXBMFYSA-N 0 0 412.446 4.347 20 5 HIBDRN CC[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000498819678 908227419 /nfs/dbraw/zinc/22/74/19/908227419.db2.gz VAXWUIULYIMWDJ-CYBMUJFWSA-N 0 0 400.403 4.163 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CC[C@@H]1c1ccccc1 ZINC000498850045 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/nfs/dbraw/zinc/08/17/55/917081755.db2.gz LMKXVEQXPXOLLO-GFCCVEGCSA-N 0 0 424.835 4.437 20 5 HIBDRN COCc1nc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(-c2ccccc2)s1 ZINC000508350145 917151507 /nfs/dbraw/zinc/15/15/07/917151507.db2.gz RRSHOBBFJRSQEO-UHFFFAOYSA-N 0 0 417.874 4.448 20 5 HIBDRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000508464939 917250236 /nfs/dbraw/zinc/25/02/36/917250236.db2.gz AGNMIEUVDFDYCL-MRXNPFEDSA-N 0 0 411.241 4.196 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2ccc(COc3ccccc3)o2)n1C ZINC000508550955 917328625 /nfs/dbraw/zinc/32/86/25/917328625.db2.gz JRAUPEXFJRBPDP-UHFFFAOYSA-N 0 0 419.441 4.199 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000508590015 917361720 /nfs/dbraw/zinc/36/17/20/917361720.db2.gz TUVOKPKAEJTZCR-JTQLQIEISA-N 0 0 403.744 4.006 20 5 HIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000508599733 917370834 /nfs/dbraw/zinc/37/08/34/917370834.db2.gz FBSQDARQOCDFLZ-UHFFFAOYSA-N 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ZINC000508804340 917559347 /nfs/dbraw/zinc/55/93/47/917559347.db2.gz AQQBGEYYDQYWNX-HSZRJFAPSA-N 0 0 419.481 4.378 20 5 HIBDRN CCCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000508925414 917684413 /nfs/dbraw/zinc/68/44/13/917684413.db2.gz UIPXBNFTPXBHOR-UHFFFAOYSA-N 0 0 410.211 4.404 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCc3cnc4ccccc4c3)cc2[N+](=O)[O-])C1 ZINC000508949755 917706985 /nfs/dbraw/zinc/70/69/85/917706985.db2.gz KXGBZGOOVIBGLA-INIZCTEOSA-N 0 0 404.470 4.309 20 5 HIBDRN CCC1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000509003437 917757886 /nfs/dbraw/zinc/75/78/86/917757886.db2.gz CDDVKNLMBPKLFL-UHFFFAOYSA-N 0 0 416.259 4.240 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000509054250 917803966 /nfs/dbraw/zinc/80/39/66/917803966.db2.gz PMZBILNMYQIYKC-UHFFFAOYSA-N 0 0 414.414 4.053 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)C1CCC(C)CC1 ZINC000509059367 917807495 /nfs/dbraw/zinc/80/74/95/917807495.db2.gz BGFJHEYPSFBATO-UHFFFAOYSA-N 0 0 416.259 4.159 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414.327 4.254 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000510921078 919434157 /nfs/dbraw/zinc/43/41/57/919434157.db2.gz XEEUJBJVXTZCAI-QGZVFWFLSA-N 0 0 406.870 4.252 20 5 HIBDRN C[C@H]1C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000510986828 919542321 /nfs/dbraw/zinc/54/23/21/919542321.db2.gz UHTSTTAHNPMBMB-LRDDRELGSA-N 0 0 414.405 4.385 20 5 HIBDRN CC(=O)N(c1nnc(SCc2cc([N+](=O)[O-])ccc2OC(C)C)s1)C1CC1 ZINC000511059264 919656039 /nfs/dbraw/zinc/65/60/39/919656039.db2.gz KXZWYMARFNNAHI-UHFFFAOYSA-N 0 0 408.505 4.041 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(F)c(Br)cc1F ZINC000511065867 919664959 /nfs/dbraw/zinc/66/49/59/919664959.db2.gz SYEXXEBKVOAMLO-UHFFFAOYSA-N 0 0 400.179 4.299 20 5 HIBDRN CN(C(=O)CN1CCC([C@H](F)c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000511083363 919686340 /nfs/dbraw/zinc/68/63/40/919686340.db2.gz YLMUIIOZGPVRIA-NRFANRHFSA-N 0 0 403.429 4.120 20 5 HIBDRN Cc1nc(Cc2nnc(SCc3cc([N+](=O)[O-])ccc3OC(C)C)o2)cs1 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ZEJKUZQORDCEMS-UHFFFAOYSA-N 0 0 407.289 4.255 20 5 HIBDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511419485 920034498 /nfs/dbraw/zinc/03/44/98/920034498.db2.gz BWDHUSNLTRKNDQ-AWEZNQCLSA-N 0 0 409.408 4.429 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)C2CCC2)c(S(=O)(=O)N2CCCC2)c1 ZINC000511453218 920063427 /nfs/dbraw/zinc/06/34/27/920063427.db2.gz HEBXICNBDIXBBG-NRFANRHFSA-N 0 0 415.515 4.333 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000511475903 920086512 /nfs/dbraw/zinc/08/65/12/920086512.db2.gz PSJIUOHKYMBLOL-CYBMUJFWSA-N 0 0 400.822 4.148 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2nccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000511517138 920136231 /nfs/dbraw/zinc/13/62/31/920136231.db2.gz XZDICFIDWGXECT-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN CCN(Cc1cnn(C)c1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000511628734 920289623 /nfs/dbraw/zinc/28/96/23/920289623.db2.gz YRCCUBUYYALKEY-UHFFFAOYSA-N 0 0 419.279 4.373 20 5 HIBDRN COc1cc(C(=O)NCC2(c3cccc(Br)c3)CCC2)ccc1[N+](=O)[O-] ZINC000511630113 920293453 /nfs/dbraw/zinc/29/34/53/920293453.db2.gz REFGRKBLEOIMJS-UHFFFAOYSA-N 0 0 419.275 4.218 20 5 HIBDRN Cc1cc2c(cc1NC(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)OCO2 ZINC000511692987 920356314 /nfs/dbraw/zinc/35/63/14/920356314.db2.gz SOTONOXZTHGGJO-AWEZNQCLSA-N 0 0 420.425 4.452 20 5 HIBDRN Cc1c(CC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000511707441 920372503 /nfs/dbraw/zinc/37/25/03/920372503.db2.gz NOHAMFMLQGLKAO-MRXNPFEDSA-N 0 0 418.318 4.467 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000511811440 920507648 /nfs/dbraw/zinc/50/76/48/920507648.db2.gz UJHVUTGDVKOKPJ-OAHLLOKOSA-N 0 0 419.306 4.028 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000511834974 920542683 /nfs/dbraw/zinc/54/26/83/920542683.db2.gz NJPCCLQONGVBPB-HNNXBMFYSA-N 0 0 405.248 4.343 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000511855148 920577716 /nfs/dbraw/zinc/57/77/16/920577716.db2.gz LPOBGCDPMIUFLL-UHFFFAOYSA-N 0 0 424.906 4.097 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cnn(Cc2ccccc2)c1 ZINC000511857373 920583343 /nfs/dbraw/zinc/58/33/43/920583343.db2.gz BMOMABMOWDJHFI-UHFFFAOYSA-N 0 0 405.439 4.215 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000511892656 920629485 /nfs/dbraw/zinc/62/94/85/920629485.db2.gz BCRNSNUUSNSGAQ-GFCCVEGCSA-N 0 0 410.879 4.171 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccnc(Oc2ccccc2F)c1 ZINC000511901779 920639897 /nfs/dbraw/zinc/63/98/97/920639897.db2.gz BTWHUPHXWXMVFI-UHFFFAOYSA-N 0 0 424.432 4.305 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(Br)c3cccnc23)c1[N+](=O)[O-] ZINC000511914368 920655750 /nfs/dbraw/zinc/65/57/50/920655750.db2.gz MPBJDUXXJGIKMK-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN CCCCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1OC ZINC000511919667 920663936 /nfs/dbraw/zinc/66/39/36/920663936.db2.gz 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ZINC000512181628 920922426 /nfs/dbraw/zinc/92/24/26/920922426.db2.gz HQRNBESNOWJXSX-GOSISDBHSA-N 0 0 410.426 4.462 20 5 HIBDRN Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000512181649 920923718 /nfs/dbraw/zinc/92/37/18/920923718.db2.gz HQRNBESNOWJXSX-SFHVURJKSA-N 0 0 410.426 4.462 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000512232783 920986475 /nfs/dbraw/zinc/98/64/75/920986475.db2.gz BYTNEDIISFTENL-CRAIPNDOSA-N 0 0 418.877 4.301 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1SC ZINC000512273749 921029451 /nfs/dbraw/zinc/02/94/51/921029451.db2.gz HCXSPSMVZQGAAO-YOEHRIQHSA-N 0 0 416.499 4.223 20 5 HIBDRN COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000512291790 921046457 /nfs/dbraw/zinc/04/64/57/921046457.db2.gz CNQMPVYSZFCWRT-OAHLLOKOSA-N 0 0 412.442 4.213 20 5 HIBDRN COc1ccc(CCCCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 ZINC000512293846 921047861 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XLKBMQXAZVAHAN-UHFFFAOYSA-N 0 0 422.319 4.181 20 5 HIBDRN C[C@H](C(=O)Nc1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC000519063182 927741303 /nfs/dbraw/zinc/74/13/03/927741303.db2.gz CZWVWSDZVAQJLO-JTQLQIEISA-N 0 0 405.336 4.141 20 5 HIBDRN CCOc1cc(NC(=O)c2cc(Br)cs2)c([N+](=O)[O-])cc1OCC ZINC000519137995 927801418 /nfs/dbraw/zinc/80/14/18/927801418.db2.gz GKWFNSCIRVAEHK-UHFFFAOYSA-N 0 0 415.265 4.469 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)CCc3ccncc3)cc2[N+](=O)[O-])n1 ZINC000519516921 928006789 /nfs/dbraw/zinc/00/67/89/928006789.db2.gz ZHABZSJCIXYABB-UHFFFAOYSA-N 0 0 414.512 4.221 20 5 HIBDRN COc1cc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc(Br)c1OC ZINC000519612048 928028018 /nfs/dbraw/zinc/02/80/18/928028018.db2.gz NUJAZKGHOSXYPL-UHFFFAOYSA-N 0 0 409.236 4.244 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000519667880 928042110 /nfs/dbraw/zinc/04/21/10/928042110.db2.gz ZIZKNODYJCKULM-UHFFFAOYSA-N 0 0 417.393 4.368 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000519782669 928073911 /nfs/dbraw/zinc/07/39/11/928073911.db2.gz VFDMCYYMIWGODL-IKGGRYGDSA-N 0 0 403.276 4.366 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000519891110 928125486 /nfs/dbraw/zinc/12/54/86/928125486.db2.gz HRQPMXKDKCFBHB-UHFFFAOYSA-N 0 0 400.431 4.240 20 5 HIBDRN CC[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000519898094 928133559 /nfs/dbraw/zinc/13/35/59/928133559.db2.gz LSXSJONSNZZDBU-IBGZPJMESA-N 0 0 416.441 4.052 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2cc(Br)c3c(c2)OCCO3)c2ncccc12 ZINC000519979874 928205242 /nfs/dbraw/zinc/20/52/42/928205242.db2.gz ISRKSWCDUUVPLN-UHFFFAOYSA-N 0 0 416.231 4.289 20 5 HIBDRN COc1ccc(CSCC(=O)N(Cc2ccco2)c2ccccn2)cc1[N+](=O)[O-] ZINC000520001981 928228343 /nfs/dbraw/zinc/22/83/43/928228343.db2.gz NPABYSUOPOYENW-UHFFFAOYSA-N 0 0 413.455 4.058 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(F)c2F)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000520035232 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ZINC000520281718 928444157 /nfs/dbraw/zinc/44/41/57/928444157.db2.gz BZVNCRARMKOVQZ-GFCCVEGCSA-N 0 0 401.373 4.250 20 5 HIBDRN COc1cc(CN2CCC[C@H]2c2nc(C)no2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520290169 928451396 /nfs/dbraw/zinc/45/13/96/928451396.db2.gz WEQPBHWDSOSASY-IBGZPJMESA-N 0 0 424.457 4.211 20 5 HIBDRN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000520320019 928482763 /nfs/dbraw/zinc/48/27/63/928482763.db2.gz GHUYSFMCDSGSRF-SCLBCKFNSA-N 0 0 424.375 4.138 20 5 HIBDRN Cc1[nH]nc(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c1[N+](=O)[O-] ZINC000520337077 928499860 /nfs/dbraw/zinc/49/98/60/928499860.db2.gz VTCCXEALCUJOGW-UHFFFAOYSA-N 0 0 412.258 4.233 20 5 HIBDRN O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520337481 928502243 /nfs/dbraw/zinc/50/22/43/928502243.db2.gz XEJGCTIRJDYWCV-UHFFFAOYSA-N 0 0 423.223 4.267 20 5 HIBDRN O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520344093 928506252 /nfs/dbraw/zinc/50/62/52/928506252.db2.gz FGKHDTIOOVGTEH-GJZGRUSLSA-N 0 0 401.216 4.389 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000520345766 928507873 /nfs/dbraw/zinc/50/78/73/928507873.db2.gz WRUTWTXSFYQFPY-HUUCEWRRSA-N 0 0 405.248 4.042 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)CC1CCOCC1 ZINC000520347239 928509422 /nfs/dbraw/zinc/50/94/22/928509422.db2.gz SSQDAADHLCLENX-UHFFFAOYSA-N 0 0 411.502 4.242 20 5 HIBDRN O=C([C@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000520361311 928519144 /nfs/dbraw/zinc/51/91/44/928519144.db2.gz SMLFPGPXMCLDBB-GJZGRUSLSA-N 0 0 420.296 4.354 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCCOc1ccc(F)cc1 ZINC000520380154 928532606 /nfs/dbraw/zinc/53/26/06/928532606.db2.gz OXZAEVDTLFXJGR-ZDUSSCGKSA-N 0 0 410.829 4.130 20 5 HIBDRN COCCOc1cc2c(cc1/C=C\c1nc3cc([N+](=O)[O-])ccc3s1)OCO2 ZINC000520397182 928546300 /nfs/dbraw/zinc/54/63/00/928546300.db2.gz QDKJDKRPHGANEE-DJWKRKHSSA-N 0 0 400.412 4.129 20 5 HIBDRN O=C(NCc1nc2cc(Cl)ccc2s1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000520396333 928546518 /nfs/dbraw/zinc/54/65/18/928546518.db2.gz KQZVPARZZJYASM-UHFFFAOYSA-N 0 0 414.830 4.042 20 5 HIBDRN COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)cn1 ZINC000520455188 928575200 /nfs/dbraw/zinc/57/52/00/928575200.db2.gz JLWJYLYPLIFGFX-UHFFFAOYSA-N 0 0 423.425 4.038 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000520544270 928631557 /nfs/dbraw/zinc/63/15/57/928631557.db2.gz UQZKJGKZNFITDB-HXUWFJFHSA-N 0 0 406.438 4.082 20 5 HIBDRN CC(C)c1noc(CCCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000520565731 928644794 /nfs/dbraw/zinc/64/47/94/928644794.db2.gz BCPNTERZHGRHRG-UHFFFAOYSA-N 0 0 409.446 4.207 20 5 HIBDRN COc1cc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)cc(Br)c1OC ZINC000520654237 928701446 /nfs/dbraw/zinc/70/14/46/928701446.db2.gz HKCKTPGMUPOAIM-UHFFFAOYSA-N 0 0 420.219 4.400 20 5 HIBDRN CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)c1ccccc1OC ZINC000520670066 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SWJNYYDKYVIQIG-UHFFFAOYSA-N 0 0 401.400 4.049 20 5 HIBDRN O=C(Nc1ccc(NCCc2ccccc2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000521019299 928936182 /nfs/dbraw/zinc/93/61/82/928936182.db2.gz MHMOBBTZQCBTFH-UHFFFAOYSA-N 0 0 401.426 4.378 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(COc2ccccc2)no1 ZINC000521024738 928941905 /nfs/dbraw/zinc/94/19/05/928941905.db2.gz QQPVCPLZTLIVML-UHFFFAOYSA-N 0 0 408.336 4.230 20 5 HIBDRN O=C(NCc1nc(-c2cccs2)no1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000521041255 928955689 /nfs/dbraw/zinc/95/56/89/928955689.db2.gz UVTCZHAZNCVQDR-UHFFFAOYSA-N 0 0 422.422 4.429 20 5 HIBDRN COc1ccc(CNC(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] ZINC000521045365 928956698 /nfs/dbraw/zinc/95/66/98/928956698.db2.gz UGJNPVJKNLHSJP-UHFFFAOYSA-N 0 0 412.471 4.035 20 5 HIBDRN CCc1nc([C@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 ZINC000521081912 928980189 /nfs/dbraw/zinc/98/01/89/928980189.db2.gz CROXWZPLMNZWHR-JTQLQIEISA-N 0 0 416.425 4.312 20 5 HIBDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000521110533 929001259 /nfs/dbraw/zinc/00/12/59/929001259.db2.gz MMBRVCVKRKRUNC-HZMBPMFUSA-N 0 0 409.895 4.316 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000521112748 929002147 /nfs/dbraw/zinc/00/21/47/929002147.db2.gz FDFZWWXSDBQZKA-UHFFFAOYSA-N 0 0 409.377 4.076 20 5 HIBDRN CCc1cccc2c(CCNC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000521132405 929015077 /nfs/dbraw/zinc/01/50/77/929015077.db2.gz WKFKJYOLNIVKIS-UHFFFAOYSA-N 0 0 417.469 4.012 20 5 HIBDRN Cc1cc(F)ccc1N(Cc1ccco1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000521134582 929015761 /nfs/dbraw/zinc/01/57/61/929015761.db2.gz ULXBXYKFFJSSPU-UHFFFAOYSA-N 0 0 404.419 4.339 20 5 HIBDRN CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000521135221 929016977 /nfs/dbraw/zinc/01/69/77/929016977.db2.gz DUPKAFHHXQKVQO-UHFFFAOYSA-N 0 0 419.684 4.226 20 5 HIBDRN CCC(=O)Nc1ccc(Cl)c(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000521145423 929023919 /nfs/dbraw/zinc/02/39/19/929023919.db2.gz VWCOPMJLHAASNI-UHFFFAOYSA-N 0 0 401.810 4.259 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)N2CCCC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000521146572 929024655 /nfs/dbraw/zinc/02/46/55/929024655.db2.gz GATBYIQLQKJMBH-UHFFFAOYSA-N 0 0 415.519 4.061 20 5 HIBDRN COc1ccc(S(=O)(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000521157301 929031720 /nfs/dbraw/zinc/03/17/20/929031720.db2.gz OGCQGEYQRSGMQG-LLVKDONJSA-N 0 0 418.393 4.004 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000521158944 929032647 /nfs/dbraw/zinc/03/26/47/929032647.db2.gz ITFZDCRHPYGJDQ-LBPRGKRZSA-N 0 0 402.394 4.304 20 5 HIBDRN COC(=O)c1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000521249883 929081511 /nfs/dbraw/zinc/08/15/11/929081511.db2.gz GGQVXGSJMDTCMV-VIFPVBQESA-N 0 0 413.213 4.094 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000521249441 929081935 /nfs/dbraw/zinc/08/19/35/929081935.db2.gz XNPACBSYYKGWPT-NHYWBVRUSA-N 0 0 408.813 4.185 20 5 HIBDRN Cc1ncsc1CN(C)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000521282777 929099185 /nfs/dbraw/zinc/09/91/85/929099185.db2.gz UIQGGMLLXHRRHG-KBPBESRZSA-N 0 0 402.520 4.114 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@H]3[C@@H]3CCCO3)n2Cc2ccccc2)cc1 ZINC000521323829 929136858 /nfs/dbraw/zinc/13/68/58/929136858.db2.gz WYFHYXDGIZNSMV-RTWAWAEBSA-N 0 0 419.485 4.049 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NCCCS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000521402402 929204310 /nfs/dbraw/zinc/20/43/10/929204310.db2.gz FIUUXFRHMDKKIY-UHFFFAOYSA-N 0 0 424.478 4.102 20 5 HIBDRN O=C(NCCn1cnc2ccccc21)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000521402869 929204477 /nfs/dbraw/zinc/20/44/77/929204477.db2.gz MPIZWGBFXPEMAD-UHFFFAOYSA-N 0 0 401.426 4.118 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(Br)cc1Cl ZINC000521432582 929219685 /nfs/dbraw/zinc/21/96/85/929219685.db2.gz OVFBIZQYOLCCSB-UHFFFAOYSA-N 0 0 414.643 4.341 20 5 HIBDRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000521457975 929229864 /nfs/dbraw/zinc/22/98/64/929229864.db2.gz IBRRBSQOLMJUSH-ZDUSSCGKSA-N 0 0 400.822 4.148 20 5 HIBDRN O=[N+]([O-])c1ccc([O-])cc1C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000521468645 929235071 /nfs/dbraw/zinc/23/50/71/929235071.db2.gz DTYPAPYIUNSRRQ-UHFFFAOYSA-N 0 0 421.291 4.244 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](c4ccncc4)C3)cc2[N+](=O)[O-])C1 ZINC000521511963 929265177 /nfs/dbraw/zinc/26/51/77/929265177.db2.gz HTBKSXCLKARPQL-LVCYWYKZSA-N 0 0 422.529 4.492 20 5 HIBDRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000521541944 929284817 /nfs/dbraw/zinc/28/48/17/929284817.db2.gz RLMKXEJNYAEJLG-OAQYLSRUSA-N 0 0 403.438 4.403 20 5 HIBDRN CCOc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c([N+](=O)[O-])cc1OCC ZINC000521620531 929331379 /nfs/dbraw/zinc/33/13/79/929331379.db2.gz VHRAOCBICYQPOU-JKSUJKDBSA-N 0 0 400.431 4.143 20 5 HIBDRN CC(C)OCCOCc1cccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000521678235 929362062 /nfs/dbraw/zinc/36/20/62/929362062.db2.gz IPKGRRNAOHIVLF-MRXNPFEDSA-N 0 0 401.463 4.419 20 5 HIBDRN COc1ccc(S(=O)(=O)N(Cc2ccco2)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000521745523 929404806 /nfs/dbraw/zinc/40/48/06/929404806.db2.gz OOXBOTXNPFGMBZ-UHFFFAOYSA-N 0 0 422.846 4.245 20 5 HIBDRN COC(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000521756103 929416795 /nfs/dbraw/zinc/41/67/95/929416795.db2.gz YYSZLLLEHYMFGP-UHFFFAOYSA-N 0 0 422.412 4.363 20 5 HIBDRN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000521773865 929435111 /nfs/dbraw/zinc/43/51/11/929435111.db2.gz XVKPQLLPXDYXEP-VIFPVBQESA-N 0 0 407.250 4.422 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1[N+](=O)[O-] ZINC000521829343 929482228 /nfs/dbraw/zinc/48/22/28/929482228.db2.gz FXZFMJNCEQMLPW-INIZCTEOSA-N 0 0 421.400 4.082 20 5 HIBDRN Cc1c(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cccc1OCC(F)(F)F ZINC000521839045 929491718 /nfs/dbraw/zinc/49/17/18/929491718.db2.gz QGWHGKOPEYAFMC-MRXNPFEDSA-N 0 0 409.364 4.062 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCc2cc(Cl)cc(F)c21 ZINC000521849779 929498470 /nfs/dbraw/zinc/49/84/70/929498470.db2.gz ZPYAZVUSILEPGE-UHFFFAOYSA-N 0 0 405.234 4.182 20 5 HIBDRN Cc1ccccc1-c1nc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000521857278 929506446 /nfs/dbraw/zinc/50/64/46/929506446.db2.gz DCZCVABULWQXNS-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Sc1ccc(Br)cc1 ZINC000521862014 929512495 /nfs/dbraw/zinc/51/24/95/929512495.db2.gz HIEUTRKSFGFMIM-JTQLQIEISA-N 0 0 413.268 4.407 20 5 HIBDRN C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])Sc1ccc(Br)cc1 ZINC000521886312 929535115 /nfs/dbraw/zinc/53/51/15/929535115.db2.gz SDIILPOZSOIAAR-SNVBAGLBSA-N 0 0 410.293 4.049 20 5 HIBDRN Cc1ccc(NC(=O)Cc2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 ZINC000521891589 929540554 /nfs/dbraw/zinc/54/05/54/929540554.db2.gz FSQUKANWDYRDLY-UHFFFAOYSA-N 0 0 421.438 4.258 20 5 HIBDRN COc1ccc(-c2noc(-c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)cn1 ZINC000521911972 929556548 /nfs/dbraw/zinc/55/65/48/929556548.db2.gz KYDVCHHEPUSLBW-CYBMUJFWSA-N 0 0 418.413 4.284 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)CC2CCOCC2)c1 ZINC000521933415 929573411 /nfs/dbraw/zinc/57/34/11/929573411.db2.gz RWHTYGOOIFRKAM-UHFFFAOYSA-N 0 0 400.500 4.386 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(N3CCCCCC3)nc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521935814 929574128 /nfs/dbraw/zinc/57/41/28/929574128.db2.gz GJEKOCNRPFLBCE-UHFFFAOYSA-N 0 0 420.473 4.117 20 5 HIBDRN Cc1cc(Br)c(F)cc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000521938207 929575266 /nfs/dbraw/zinc/57/52/66/929575266.db2.gz SRHNNQJKWFPHCB-UHFFFAOYSA-N 0 0 403.154 4.264 20 5 HIBDRN CC(C)c1ccccc1OCCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000521969455 929606316 /nfs/dbraw/zinc/60/63/16/929606316.db2.gz SXXHHPKGLKSNFE-UHFFFAOYSA-N 0 0 408.458 4.174 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000521985587 929611668 /nfs/dbraw/zinc/61/16/68/929611668.db2.gz GFTZHDXANFAHBS-OCCSQVGLSA-N 0 0 407.517 4.150 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC000524488000 929635002 /nfs/dbraw/zinc/63/50/02/929635002.db2.gz SXFSSMDVWNYBOL-UHFFFAOYSA-N 0 0 406.876 4.432 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCSC[C@H]1c1ccccc1 ZINC000524532312 929668826 /nfs/dbraw/zinc/66/88/26/929668826.db2.gz MSAJRJZSWGRSQQ-NRFANRHFSA-N 0 0 411.527 4.128 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 ZINC000524553409 929682508 /nfs/dbraw/zinc/68/25/08/929682508.db2.gz LOVSAROXQDQSKK-HOTGVXAUSA-N 0 0 415.515 4.107 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCc1ccc(OC(F)(F)F)cc1 ZINC000524555880 929685150 /nfs/dbraw/zinc/68/51/50/929685150.db2.gz YBDYMPBIBWQXCN-UHFFFAOYSA-N 0 0 402.756 4.048 20 5 HIBDRN O=C(c1cccc(Nc2ccccc2)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000524577252 929696100 /nfs/dbraw/zinc/69/61/00/929696100.db2.gz GNCAKDHYDAMLQF-IBGZPJMESA-N 0 0 403.442 4.060 20 5 HIBDRN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000524643957 929756745 /nfs/dbraw/zinc/75/67/45/929756745.db2.gz VDLVRDUXNVXDKA-NQIIRXRSSA-N 0 0 409.467 4.187 20 5 HIBDRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000524647101 929758953 /nfs/dbraw/zinc/75/89/53/929758953.db2.gz QJSAMAUJWYJHNY-UHFFFAOYSA-N 0 0 404.854 4.098 20 5 HIBDRN Cc1cccc(-c2nc(CC(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)cs2)c1 ZINC000524685197 929797656 /nfs/dbraw/zinc/79/76/56/929797656.db2.gz LCJBPRKZFKCBSV-UHFFFAOYSA-N 0 0 419.466 4.394 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000524699488 929803920 /nfs/dbraw/zinc/80/39/20/929803920.db2.gz UWFNRPADRBAURH-CYBMUJFWSA-N 0 0 410.293 4.005 20 5 HIBDRN CN(CCOc1ccccc1Cl)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000524837191 929853210 /nfs/dbraw/zinc/85/32/10/929853210.db2.gz CESPFMDUESKATN-UHFFFAOYSA-N 0 0 405.882 4.291 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000524866025 929864740 /nfs/dbraw/zinc/86/47/40/929864740.db2.gz UWJZGEKRBQSTJR-OAQYLSRUSA-N 0 0 406.438 4.291 20 5 HIBDRN Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000524949160 929911031 /nfs/dbraw/zinc/91/10/31/929911031.db2.gz JZFNKGOYXBJWJP-UHFFFAOYSA-N 0 0 407.405 4.187 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000524965324 929929840 /nfs/dbraw/zinc/92/98/40/929929840.db2.gz YOQJFDLUZRKLNZ-OAHLLOKOSA-N 0 0 418.755 4.299 20 5 HIBDRN CC(C)(C)CC(=O)Nc1ccc(CC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000524983527 929947325 /nfs/dbraw/zinc/94/73/25/929947325.db2.gz KIUBYHAWPCWKSH-UHFFFAOYSA-N 0 0 409.486 4.491 20 5 HIBDRN Cc1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1OCC1CCOCC1 ZINC000524993288 929960408 /nfs/dbraw/zinc/96/04/08/929960408.db2.gz LNORMKMSEIIMBY-UHFFFAOYSA-N 0 0 413.474 4.073 20 5 HIBDRN 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/nfs/dbraw/zinc/01/55/63/930015563.db2.gz WKLWMPPDTLEJBF-OAHLLOKOSA-N 0 0 404.850 4.113 20 5 HIBDRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000525069959 930016780 /nfs/dbraw/zinc/01/67/80/930016780.db2.gz QUNJEOOIYLGCJC-UHFFFAOYSA-N 0 0 416.865 4.371 20 5 HIBDRN COc1ccc([C@@H](C)CCNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000525075181 930020148 /nfs/dbraw/zinc/02/01/48/930020148.db2.gz OEXMNJMHVAIYBF-LBPRGKRZSA-N 0 0 424.400 4.137 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C12CCC2 ZINC000525078320 930022331 /nfs/dbraw/zinc/02/23/31/930022331.db2.gz NWJLSUJVTYELES-ONGXBYRLSA-N 0 0 424.501 4.240 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C12CCC2 ZINC000525078318 930022356 /nfs/dbraw/zinc/02/23/56/930022356.db2.gz NWJLSUJVTYELES-IPHXSNPTSA-N 0 0 424.501 4.240 20 5 HIBDRN Cn1c(C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000525102208 930036546 /nfs/dbraw/zinc/03/65/46/930036546.db2.gz MSRQSEKFXZLMRR-UHFFFAOYSA-N 0 0 412.273 4.171 20 5 HIBDRN Cc1cc(C)n(Cc2ccc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000525105294 930039050 /nfs/dbraw/zinc/03/90/50/930039050.db2.gz CXRXVNJHHFCBEO-JOCHJYFZSA-N 0 0 422.510 4.344 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000525117416 930046783 /nfs/dbraw/zinc/04/67/83/930046783.db2.gz QCJHUMNQJLXHAF-JKSUJKDBSA-N 0 0 423.450 4.232 20 5 HIBDRN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000525133923 930054128 /nfs/dbraw/zinc/05/41/28/930054128.db2.gz YGOUFWZTLQZOIE-UHFFFAOYSA-N 0 0 423.391 4.032 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1 ZINC000525137327 930056633 /nfs/dbraw/zinc/05/66/33/930056633.db2.gz UQEGISWAJKXLDQ-SFHVURJKSA-N 0 0 401.894 4.341 20 5 HIBDRN CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000525148757 930064882 /nfs/dbraw/zinc/06/48/82/930064882.db2.gz LYLSRWKCXRXFPU-OAQYLSRUSA-N 0 0 408.433 4.474 20 5 HIBDRN CC(C)(C)OC(=O)Cc1cccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000525176217 930076186 /nfs/dbraw/zinc/07/61/86/930076186.db2.gz WLKXNHLXOLMAIN-UHFFFAOYSA-N 0 0 410.430 4.141 20 5 HIBDRN C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)Oc1ccc(Br)cc1 ZINC000525215918 930089418 /nfs/dbraw/zinc/08/94/18/930089418.db2.gz OMSVZMMLAXAZOI-LLVKDONJSA-N 0 0 418.247 4.036 20 5 HIBDRN Cc1csc(C2(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CCC2)n1 ZINC000525285699 930132393 /nfs/dbraw/zinc/13/23/93/930132393.db2.gz CSRFNMKBOSMGJX-UHFFFAOYSA-N 0 0 400.485 4.292 20 5 HIBDRN COc1ccc(C(=O)N[C@@H](COCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000525362185 930196811 /nfs/dbraw/zinc/19/68/11/930196811.db2.gz JVHIYFCYUDRIRH-FQEVSTJZSA-N 0 0 406.438 4.291 20 5 HIBDRN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000525362102 930196875 /nfs/dbraw/zinc/19/68/75/930196875.db2.gz HDFOLZLSFFEKGN-UHFFFAOYSA-N 0 0 411.867 4.042 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000525471177 930261127 /nfs/dbraw/zinc/26/11/27/930261127.db2.gz YJSFUBXOVNNHGK-UHFFFAOYSA-N 0 0 414.458 4.360 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000525480253 930269246 /nfs/dbraw/zinc/26/92/46/930269246.db2.gz NDWRGGWPMHJOHL-MRXNPFEDSA-N 0 0 402.756 4.437 20 5 HIBDRN COc1ccc(CC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000525483308 930271240 /nfs/dbraw/zinc/27/12/40/930271240.db2.gz LBSYNTQHDSCPAV-MRXNPFEDSA-N 0 0 402.756 4.219 20 5 HIBDRN CNc1ccc(C(=O)N2CCC[C@H](Cc3cc(Cl)ccc3OC)C2)cc1[N+](=O)[O-] ZINC000525489964 930277507 /nfs/dbraw/zinc/27/75/07/930277507.db2.gz XVKRLJYDZWFCSR-CQSZACIVSA-N 0 0 417.893 4.393 20 5 HIBDRN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525491164 930278811 /nfs/dbraw/zinc/27/88/11/930278811.db2.gz DNQOUBFIZQPJON-INIZCTEOSA-N 0 0 417.893 4.421 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000525535765 930309117 /nfs/dbraw/zinc/30/91/17/930309117.db2.gz OZPHUIKKULTAKU-UHFFFAOYSA-N 0 0 412.467 4.421 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc([N+](=O)[O-])c1OC ZINC000525558453 930326472 /nfs/dbraw/zinc/32/64/72/930326472.db2.gz OQFSSKRAHWILQS-UHFFFAOYSA-N 0 0 421.381 4.266 20 5 HIBDRN O=C(NCc1coc(-c2ccccc2)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000525566112 930332913 /nfs/dbraw/zinc/33/29/13/930332913.db2.gz TWIDRXGAQXXKAU-UHFFFAOYSA-N 0 0 406.423 4.303 20 5 HIBDRN COc1cc(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)cc([N+](=O)[O-])c1OC ZINC000525568107 930334734 /nfs/dbraw/zinc/33/47/34/930334734.db2.gz YOIZRDIAXPNRTR-UHFFFAOYSA-N 0 0 415.446 4.157 20 5 HIBDRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1csc([N+](=O)[O-])c1 ZINC000525580704 930343601 /nfs/dbraw/zinc/34/36/01/930343601.db2.gz JFFJEESNMXVECI-UHFFFAOYSA-N 0 0 421.276 4.110 20 5 HIBDRN COc1cc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc([N+](=O)[O-])c1OC ZINC000525582855 930345150 /nfs/dbraw/zinc/34/51/50/930345150.db2.gz VYIKWAXCWDMSNK-HXUWFJFHSA-N 0 0 418.449 4.400 20 5 HIBDRN Cc1oc(-c2ccsc2)nc1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000525620051 930366951 /nfs/dbraw/zinc/36/69/51/930366951.db2.gz YJRMWYBNAAPHRQ-LJQANCHMSA-N 0 0 415.496 4.436 20 5 HIBDRN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000525659974 930390350 /nfs/dbraw/zinc/39/03/50/930390350.db2.gz XYKBQUIRXPLHIW-OAHLLOKOSA-N 0 0 421.428 4.406 20 5 HIBDRN CCc1cnc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2C)o1 ZINC000525700513 930409209 /nfs/dbraw/zinc/40/92/09/930409209.db2.gz JHHMCAUXLIIQII-UHFFFAOYSA-N 0 0 415.471 4.158 20 5 HIBDRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000525729146 930417904 /nfs/dbraw/zinc/41/79/04/930417904.db2.gz FTUUWKZQLXVQBJ-IBGZPJMESA-N 0 0 407.470 4.248 20 5 HIBDRN Cc1cc(OC(C)C)ccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000525873900 930473919 /nfs/dbraw/zinc/47/39/19/930473919.db2.gz YRJXYAGEKIHSPA-UHFFFAOYSA-N 0 0 413.474 4.066 20 5 HIBDRN Cc1ccc2c(CCNC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])c[nH]c2c1 ZINC000525894941 930478581 /nfs/dbraw/zinc/47/85/81/930478581.db2.gz GZUFGKYAXLTQTM-UHFFFAOYSA-N 0 0 403.891 4.489 20 5 HIBDRN COc1c(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cccc1[N+](=O)[O-] ZINC000525991151 930503836 /nfs/dbraw/zinc/50/38/36/930503836.db2.gz XMLWAGWGDXKWNZ-OAHLLOKOSA-N 0 0 407.426 4.068 20 5 HIBDRN Cc1cc(-c2ncccc2NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cs1 ZINC000526099897 930531986 /nfs/dbraw/zinc/53/19/86/930531986.db2.gz JABKBPCXMHUPRG-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN COc1cc(OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000526995777 930563635 /nfs/dbraw/zinc/56/36/35/930563635.db2.gz ITVNHIAATGZWFG-HSZRJFAPSA-N 0 0 424.428 4.369 20 5 HIBDRN CC(C)(C(=O)N1CCc2cc(Br)cc(F)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000527030126 930572003 /nfs/dbraw/zinc/57/20/03/930572003.db2.gz UAAXPLGGDRUVDR-UHFFFAOYSA-N 0 0 421.266 4.359 20 5 HIBDRN Cc1ccc2c(CCNC(=O)c3ccc([N+](=O)[O-])cc3Br)c[nH]c2c1 ZINC000527136237 930598895 /nfs/dbraw/zinc/59/88/95/930598895.db2.gz RGIOZBSZYRWECG-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN CNc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc1[N+](=O)[O-] ZINC000527181157 930607785 /nfs/dbraw/zinc/60/77/85/930607785.db2.gz SQMVNDODPUFLLW-UHFFFAOYSA-N 0 0 407.814 4.200 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1cc2ccccc2s1 ZINC000527200846 930611321 /nfs/dbraw/zinc/61/13/21/930611321.db2.gz XWOANPGZAFZCPA-AWEZNQCLSA-N 0 0 411.483 4.137 20 5 HIBDRN C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000527530713 930674799 /nfs/dbraw/zinc/67/47/99/930674799.db2.gz BFFREOTUGAKHLD-MWSMCUOVSA-N 0 0 408.907 4.382 20 5 HIBDRN Cc1cc(F)c(Br)cc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000530389171 930699701 /nfs/dbraw/zinc/69/97/01/930699701.db2.gz OZCXRONUKSMJOM-UHFFFAOYSA-N 0 0 412.215 4.005 20 5 HIBDRN Cc1noc(-c2ccc(C)c(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])c2)n1 ZINC000530710510 930804168 /nfs/dbraw/zinc/80/41/68/930804168.db2.gz GHCUSERZVLGFFT-UHFFFAOYSA-N 0 0 417.219 4.276 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000530744176 930814927 /nfs/dbraw/zinc/81/49/27/930814927.db2.gz XICHBFOVTQJXAZ-KRWDZBQOSA-N 0 0 405.248 4.100 20 5 HIBDRN O=C(Nc1cc(Br)ccc1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000530777066 930821224 /nfs/dbraw/zinc/82/12/24/930821224.db2.gz IYIRLLKEISBTAC-UHFFFAOYSA-N 0 0 416.025 4.078 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(Cc2ccccc2F)CC1 ZINC000530802481 930827253 /nfs/dbraw/zinc/82/72/53/930827253.db2.gz UVRZFSWEONHGAQ-UHFFFAOYSA-N 0 0 411.477 4.429 20 5 HIBDRN Cc1ccc(I)c(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000531021811 930886899 /nfs/dbraw/zinc/88/68/99/930886899.db2.gz LREQEOITAMNSQQ-UHFFFAOYSA-N 0 0 410.211 4.377 20 5 HIBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCc2ccccc21 ZINC000531025503 930888539 /nfs/dbraw/zinc/88/85/39/930888539.db2.gz YFUNCFRJGHPYJC-SFHVURJKSA-N 0 0 403.276 4.436 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(F)c1 ZINC000531031365 930890625 /nfs/dbraw/zinc/89/06/25/930890625.db2.gz OGGJDAHHDKPDCQ-UHFFFAOYSA-N 0 0 411.227 4.465 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000531262607 930986292 /nfs/dbraw/zinc/98/62/92/930986292.db2.gz RCDPISJCDADCPJ-UHFFFAOYSA-N 0 0 404.879 4.242 20 5 HIBDRN COc1ccc(Cl)cc1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000531267063 930991019 /nfs/dbraw/zinc/99/10/19/930991019.db2.gz SJRUVCCVGGSTLP-UHFFFAOYSA-N 0 0 413.655 4.225 20 5 HIBDRN COc1cc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000531588318 931111516 /nfs/dbraw/zinc/11/15/16/931111516.db2.gz QIBJMAPMVNZOGX-APPDUMDISA-N 0 0 414.430 4.228 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000531741372 931179766 /nfs/dbraw/zinc/17/97/66/931179766.db2.gz AGBZEKSUKCUNAQ-QPJJXVBHSA-N 0 0 400.866 4.111 20 5 HIBDRN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000532030497 931290612 /nfs/dbraw/zinc/29/06/12/931290612.db2.gz UOSQBQHQMKVKCQ-UHFFFAOYSA-N 0 0 411.849 4.083 20 5 HIBDRN Cc1nnc([C@H](C)NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)o1 ZINC000532102766 931312406 /nfs/dbraw/zinc/31/24/06/931312406.db2.gz ILYLVLKQQCHXAS-NSHDSACASA-N 0 0 415.837 4.043 20 5 HIBDRN O=C(CC1CCCCC1)Nc1cccc2c1CCCN2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138490 931326022 /nfs/dbraw/zinc/32/60/22/931326022.db2.gz PPISPUQSAJGXPV-UHFFFAOYSA-N 0 0 422.485 4.492 20 5 HIBDRN O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532138372 931326094 /nfs/dbraw/zinc/32/60/94/931326094.db2.gz GVSUSNMBCKQZBO-UHFFFAOYSA-N 0 0 404.304 4.448 20 5 HIBDRN CN(C(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1)c1ccccc1 ZINC000532138823 931326103 /nfs/dbraw/zinc/32/61/03/931326103.db2.gz OEDNKJCVRNBKMO-UHFFFAOYSA-N 0 0 410.817 4.172 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000532290943 931387475 /nfs/dbraw/zinc/38/74/75/931387475.db2.gz KXNSDSNIUJCHFU-QHCPKHFHSA-N 0 0 417.465 4.461 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2cccc(Br)c2C1 ZINC000532305181 931392394 /nfs/dbraw/zinc/39/23/94/931392394.db2.gz MZLPMTLNVLULRE-GFCCVEGCSA-N 0 0 421.316 4.423 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000532343219 931402130 /nfs/dbraw/zinc/40/21/30/931402130.db2.gz TUVCCGALQYVUMU-AWEZNQCLSA-N 0 0 417.512 4.408 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000532518485 931471519 /nfs/dbraw/zinc/47/15/19/931471519.db2.gz DUUHBEMJOLGJFR-SGTLLEGYSA-N 0 0 416.384 4.058 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000532518483 931471706 /nfs/dbraw/zinc/47/17/06/931471706.db2.gz DUUHBEMJOLGJFR-KPZWWZAWSA-N 0 0 416.384 4.058 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000532545046 931517267 /nfs/dbraw/zinc/51/72/67/931517267.db2.gz OXJJDQALAUUQPU-LJQANCHMSA-N 0 0 421.856 4.098 20 5 HIBDRN CN(C(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532625937 931559131 /nfs/dbraw/zinc/55/91/31/931559131.db2.gz YBKGMTWZAHUFLN-OAHLLOKOSA-N 0 0 410.499 4.047 20 5 HIBDRN O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000532727548 931612298 /nfs/dbraw/zinc/61/22/98/931612298.db2.gz OCHBZOAASSYGGT-UHFFFAOYSA-N 0 0 420.290 4.319 20 5 HIBDRN CS(=O)(=O)Cc1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000532728208 931613462 /nfs/dbraw/zinc/61/34/62/931613462.db2.gz HRAZZQUTVKPZDG-UHFFFAOYSA-N 0 0 402.497 4.480 20 5 HIBDRN COc1cc(-c2noc(CSCc3ccc(OC)c([N+](=O)[O-])c3)n2)ccc1C ZINC000532737682 931618160 /nfs/dbraw/zinc/61/81/60/931618160.db2.gz JDMIKUQWOKOWFC-UHFFFAOYSA-N 0 0 401.444 4.404 20 5 HIBDRN Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 ZINC000532760704 931625261 /nfs/dbraw/zinc/62/52/61/931625261.db2.gz FCWAAQSLMBNQHL-ZDUSSCGKSA-N 0 0 400.460 4.079 20 5 HIBDRN Cc1nc2cc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)ccc2n1C ZINC000532794548 931632970 /nfs/dbraw/zinc/63/29/70/931632970.db2.gz ZJDHXVSERAVTMB-UHFFFAOYSA-N 0 0 403.236 4.113 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000532825422 931643093 /nfs/dbraw/zinc/64/30/93/931643093.db2.gz NZFPEYWZEZNOKU-UHFFFAOYSA-N 0 0 411.439 4.194 20 5 HIBDRN CS(=O)(=O)Cc1ccccc1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532888737 931680298 /nfs/dbraw/zinc/68/02/98/931680298.db2.gz CAMMEOFRIPDKFO-UHFFFAOYSA-N 0 0 402.497 4.480 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccc(C)c(C(=O)N(C)C)c3)o2)c([N+](=O)[O-])c1 ZINC000532895197 931683216 /nfs/dbraw/zinc/68/32/16/931683216.db2.gz ZALXBIRRLJKPSI-UHFFFAOYSA-N 0 0 409.442 4.486 20 5 HIBDRN COc1ccc(Br)cc1CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000532958984 931712465 /nfs/dbraw/zinc/71/24/65/931712465.db2.gz RBDOOMXSQAVGCX-UHFFFAOYSA-N 0 0 419.231 4.384 20 5 HIBDRN COc1ccc([C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cc1 ZINC000533055305 931757006 /nfs/dbraw/zinc/75/70/06/931757006.db2.gz BQQKIKFAXZEWME-HSZRJFAPSA-N 0 0 423.444 4.085 20 5 HIBDRN CCOc1cc(NC(=O)c2cc(OC)c(OC)cc2Cl)c([N+](=O)[O-])cc1OCC ZINC000533148633 931786793 /nfs/dbraw/zinc/78/67/93/931786793.db2.gz ZATPBLJUZMKJJX-UHFFFAOYSA-N 0 0 424.837 4.315 20 5 HIBDRN O=C1NCCCN1c1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000533216689 931811994 /nfs/dbraw/zinc/81/19/94/931811994.db2.gz WPNLCUHQYBYXAT-UHFFFAOYSA-N 0 0 409.471 4.250 20 5 HIBDRN COc1ccc(Br)cc1CN(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000533415962 931861631 /nfs/dbraw/zinc/86/16/31/931861631.db2.gz LWQYWYGOHMGEKH-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccccc21 ZINC000533465741 931876472 /nfs/dbraw/zinc/87/64/72/931876472.db2.gz CEGXQEBXNGKWBZ-NSHDSACASA-N 0 0 411.277 4.060 20 5 HIBDRN CNc1ccc(C(=O)N(Cc2csc(Br)c2)C2CC2)cc1[N+](=O)[O-] ZINC000533565541 931902621 /nfs/dbraw/zinc/90/26/21/931902621.db2.gz SOCTVVLZEZLWKZ-UHFFFAOYSA-N 0 0 410.293 4.265 20 5 HIBDRN O=C(NCCOCc1ccc(Cl)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000533610855 931924517 /nfs/dbraw/zinc/92/45/17/931924517.db2.gz HBMCOIKQLXEELM-UHFFFAOYSA-N 0 0 403.866 4.139 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOCc1ccc(Cl)cc1 ZINC000533615460 931925827 /nfs/dbraw/zinc/92/58/27/931925827.db2.gz IRWVLNQISVBXEM-UHFFFAOYSA-N 0 0 405.882 4.385 20 5 HIBDRN C[C@@H]1CCC[C@@H]1CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000533737789 932000342 /nfs/dbraw/zinc/00/03/42/932000342.db2.gz CLUVBZVJESFUFB-UKRRQHHQSA-N 0 0 413.440 4.382 20 5 HIBDRN O=C(NCc1ccc(CO)c(F)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000533793821 932035414 /nfs/dbraw/zinc/03/54/14/932035414.db2.gz PWTIZDHZFLMERS-UHFFFAOYSA-N 0 0 412.442 4.307 20 5 HIBDRN O=C(c1cc2c(cccc2Br)[nH]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533842855 932056293 /nfs/dbraw/zinc/05/62/93/932056293.db2.gz OGKNFNRNGDSQQJ-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(C(F)(F)F)c1 ZINC000533877358 932076283 /nfs/dbraw/zinc/07/62/83/932076283.db2.gz YDDKGPXRQADLNQ-UHFFFAOYSA-N 0 0 422.363 4.162 20 5 HIBDRN CN(C)c1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C(F)(F)F)c1 ZINC000533900757 932089954 /nfs/dbraw/zinc/08/99/54/932089954.db2.gz PBYZRQIANXTKHC-UHFFFAOYSA-N 0 0 406.364 4.342 20 5 HIBDRN Cc1nnc(Sc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)n1[C@@H]1CCC[C@H](C)C1 ZINC000533909005 932094365 /nfs/dbraw/zinc/09/43/65/932094365.db2.gz PAYLJLJIHYTJAY-SMDDNHRTSA-N 0 0 401.492 4.282 20 5 HIBDRN COCCSc1ccc([C@@H](C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000533940195 932113145 /nfs/dbraw/zinc/11/31/45/932113145.db2.gz IBBIIHOKLWRKPV-CQSZACIVSA-N 0 0 413.499 4.235 20 5 HIBDRN C[C@H](Nc1cccc2c1CN(c1nccs1)C2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000533954545 932129442 /nfs/dbraw/zinc/12/94/42/932129442.db2.gz LHFYWJQUBQSABN-ZDUSSCGKSA-N 0 0 409.471 4.011 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000533962025 932136294 /nfs/dbraw/zinc/13/62/94/932136294.db2.gz VDQZQXIKRZAJFA-UHFFFAOYSA-N 0 0 420.400 4.261 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000533962023 932137126 /nfs/dbraw/zinc/13/71/26/932137126.db2.gz ZZTXIVUPDXHHTJ-NRFANRHFSA-N 0 0 417.469 4.352 20 5 HIBDRN CC(C)(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1Br ZINC000533985688 932163428 /nfs/dbraw/zinc/16/34/28/932163428.db2.gz XROUBQFRZSMCHP-UHFFFAOYSA-N 0 0 416.275 4.433 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(F)ccc1OCC(F)(F)F ZINC000533988880 932167038 /nfs/dbraw/zinc/16/70/38/932167038.db2.gz VICLYLWTHFBDIM-UHFFFAOYSA-N 0 0 411.311 4.338 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)NCCc3ncc(C)cn3)cc2[N+](=O)[O-])cc1 ZINC000533993201 932171546 /nfs/dbraw/zinc/17/15/46/932171546.db2.gz ZMJGRJCULJIRTA-UHFFFAOYSA-N 0 0 408.483 4.125 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H](c1cccnc1)C1CC1 ZINC000534002590 932185315 /nfs/dbraw/zinc/18/53/15/932185315.db2.gz BWZIBRWPRAAKFI-GOSISDBHSA-N 0 0 408.380 4.078 20 5 HIBDRN Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000534008411 932191448 /nfs/dbraw/zinc/19/14/48/932191448.db2.gz ZMKCFXMPXAWIPQ-KRWDZBQOSA-N 0 0 407.373 4.110 20 5 HIBDRN O=C(Nc1cccc2c1CN(c1nccs1)C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000534027525 932208088 /nfs/dbraw/zinc/20/80/88/932208088.db2.gz OILIBYCDIHSPLZ-UHFFFAOYSA-N 0 0 421.482 4.162 20 5 HIBDRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000534038161 932215009 /nfs/dbraw/zinc/21/50/09/932215009.db2.gz ZQNCLKZCTLZQPF-UHFFFAOYSA-N 0 0 419.441 4.153 20 5 HIBDRN Cc1ccc(CNC(=O)[C@H](C)SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000534058389 932236674 /nfs/dbraw/zinc/23/66/74/932236674.db2.gz ATEBHKAZGRLTEL-HNNXBMFYSA-N 0 0 411.483 4.496 20 5 HIBDRN Cc1ccc(-c2noc(C[S@](=O)Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 ZINC000534060657 932239039 /nfs/dbraw/zinc/23/90/39/932239039.db2.gz JGIYLFWEHRIRFR-SSEXGKCCSA-N 0 0 424.438 4.057 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3ccc(OC(F)F)cc3)co2)cc1 ZINC000534060445 932239821 /nfs/dbraw/zinc/23/98/21/932239821.db2.gz BADUBGGHJHAGBH-NDEPHWFRSA-N 0 0 408.382 4.300 20 5 HIBDRN O=C(c1ccc(N2CCCC[C@@H]2CCc2ccccc2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000534092172 932273209 /nfs/dbraw/zinc/27/32/09/932273209.db2.gz QMGDTRDHQGRHSF-OAQYLSRUSA-N 0 0 423.513 4.059 20 5 HIBDRN CCS[C@H](C)c1noc(CN(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000534108221 932283361 /nfs/dbraw/zinc/28/33/61/932283361.db2.gz FCVJYOHZUMDTED-GFCCVEGCSA-N 0 0 403.464 4.079 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1SC ZINC000534118737 932287291 /nfs/dbraw/zinc/28/72/91/932287291.db2.gz OQDWHKZWETVJGC-UHFFFAOYSA-N 0 0 414.434 4.368 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534129287 932294012 /nfs/dbraw/zinc/29/40/12/932294012.db2.gz MWHBRYXQLHRLGJ-WMZOPIPTSA-N 0 0 405.907 4.145 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC(=O)c2cccs2)cc1 ZINC000534209320 932332274 /nfs/dbraw/zinc/33/22/74/932332274.db2.gz PFGACQJPANWRDB-UHFFFAOYSA-N 0 0 412.423 4.070 20 5 HIBDRN CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000534214841 932336953 /nfs/dbraw/zinc/33/69/53/932336953.db2.gz OHVICJUPTHDHQM-UHFFFAOYSA-N 0 0 424.478 4.235 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCc2c(Br)cccc2C1 ZINC000534220570 932339596 /nfs/dbraw/zinc/33/95/96/932339596.db2.gz JBEWFXHXBVVETJ-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000534224088 932343549 /nfs/dbraw/zinc/34/35/49/932343549.db2.gz WUWMOQLWQGFYEI-GOSISDBHSA-N 0 0 417.425 4.494 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000534255383 932367807 /nfs/dbraw/zinc/36/78/07/932367807.db2.gz FCKAKOQDQDGBRJ-UHFFFAOYSA-N 0 0 406.504 4.068 20 5 HIBDRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000534273842 932373848 /nfs/dbraw/zinc/37/38/48/932373848.db2.gz RALYZCIKDNNURF-UHFFFAOYSA-N 0 0 405.838 4.177 20 5 HIBDRN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000534291514 932376792 /nfs/dbraw/zinc/37/67/92/932376792.db2.gz JHBIGUKEPCVHJA-UHFFFAOYSA-N 0 0 407.817 4.294 20 5 HIBDRN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCCC12CCCCC2 ZINC000534292619 932376921 /nfs/dbraw/zinc/37/69/21/932376921.db2.gz DIVHGEMVFGNXMY-UHFFFAOYSA-N 0 0 414.243 4.138 20 5 HIBDRN CCCOc1cc(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000534326608 932383847 /nfs/dbraw/zinc/38/38/47/932383847.db2.gz KXDRHMSEQJZLQX-ZIAGYGMSSA-N 0 0 409.483 4.250 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(n3cc(Br)cn3)CC2)cc1C(F)(F)F ZINC000534496646 932532441 /nfs/dbraw/zinc/53/24/41/932532441.db2.gz LOCAPPBFPFKLKZ-UHFFFAOYSA-N 0 0 419.201 4.414 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000534536783 932549717 /nfs/dbraw/zinc/54/97/17/932549717.db2.gz ZBBVDXOKMYDFJI-HNNXBMFYSA-N 0 0 413.449 4.249 20 5 HIBDRN C[C@H](NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000534610854 932595735 /nfs/dbraw/zinc/59/57/35/932595735.db2.gz PIOQFUDKMUDSAP-UGSOOPFHSA-N 0 0 421.400 4.040 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000534625909 932606588 /nfs/dbraw/zinc/60/65/88/932606588.db2.gz HKDGWGPJKMCOSE-UHFFFAOYSA-N 0 0 413.846 4.429 20 5 HIBDRN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000534698568 932669691 /nfs/dbraw/zinc/66/96/91/932669691.db2.gz YATNFQJTQNOLRL-OAHLLOKOSA-N 0 0 415.515 4.091 20 5 HIBDRN Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000534702774 932674278 /nfs/dbraw/zinc/67/42/78/932674278.db2.gz ZPBOESOJIXJVQM-UHFFFAOYSA-N 0 0 404.470 4.426 20 5 HIBDRN CC[C@@H](C[C@@H](C)CO)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000534712142 932681545 /nfs/dbraw/zinc/68/15/45/932681545.db2.gz UBRGYWSSNTXWEF-PBHICJAKSA-N 0 0 419.909 4.387 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000534722058 932690055 /nfs/dbraw/zinc/69/00/55/932690055.db2.gz NVTBCHMQZRFSDI-UHFFFAOYSA-N 0 0 422.460 4.126 20 5 HIBDRN CCc1noc(-c2ccc(C)c(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)c2)n1 ZINC000534727366 932695398 /nfs/dbraw/zinc/69/53/98/932695398.db2.gz HUCXDUJGRIILHH-UHFFFAOYSA-N 0 0 405.414 4.178 20 5 HIBDRN Cc1c(NC(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000534743678 932716196 /nfs/dbraw/zinc/71/61/96/932716196.db2.gz RJKJIIWMXKPNJI-KRWDZBQOSA-N 0 0 407.373 4.110 20 5 HIBDRN COC(=O)c1sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nc1C1CC1 ZINC000534769769 932751071 /nfs/dbraw/zinc/75/10/71/932751071.db2.gz YSAVOVSCILQIGP-UHFFFAOYSA-N 0 0 403.441 4.182 20 5 HIBDRN O=C(NCc1ccco1)c1ccccc1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534794369 932774629 /nfs/dbraw/zinc/77/46/29/932774629.db2.gz XIUAILFSOWBDID-UHFFFAOYSA-N 0 0 418.409 4.385 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C2(c3ccc(F)cc3F)CCOCC2)cc1[N+](=O)[O-] ZINC000534802458 932779178 /nfs/dbraw/zinc/77/91/78/932779178.db2.gz WWONQOPTUAGCTB-AWEZNQCLSA-N 0 0 404.413 4.107 20 5 HIBDRN 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CO[C@H](C)c1noc(CN(C)Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000539860313 938959875 /nfs/dbraw/zinc/95/98/75/938959875.db2.gz QHBFVULKISAAAM-OAHLLOKOSA-N 0 0 411.462 4.085 20 5 HIBDRN C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000539864400 938961130 /nfs/dbraw/zinc/96/11/30/938961130.db2.gz HLARWJSIJUSYFM-SNVBAGLBSA-N 0 0 414.480 4.161 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccnc(OCC(F)F)c2)no1 ZINC000563568005 945219178 /nfs/dbraw/zinc/21/91/78/945219178.db2.gz DUVZLXJBFJGLEZ-CYBMUJFWSA-N 0 0 404.373 4.420 20 5 HIBDRN Cc1cnn(-c2ccc(C)cc2NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000539925323 938978279 /nfs/dbraw/zinc/97/82/79/938978279.db2.gz HJNXQRWNVKCQKI-UHFFFAOYSA-N 0 0 402.458 4.410 20 5 HIBDRN C[C@H]1OCC[C@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000539939710 938979506 /nfs/dbraw/zinc/97/95/06/938979506.db2.gz BPWBOGSRMJBEQP-BXUZGUMPSA-N 0 0 408.813 4.221 20 5 HIBDRN COCCN(C(=O)CCCC(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000539944306 938980206 /nfs/dbraw/zinc/98/02/06/938980206.db2.gz CWAUZELPHWVTDD-UHFFFAOYSA-N 0 0 417.409 4.430 20 5 HIBDRN O=C(Cc1cccc(OCc2cccnc2)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000539958837 938981486 /nfs/dbraw/zinc/98/14/86/938981486.db2.gz JBHQNQPLIBRCEN-UHFFFAOYSA-N 0 0 403.438 4.091 20 5 HIBDRN O=C([C@H]1CC12CCN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2)N1CCCCC1 ZINC000540029020 939043840 /nfs/dbraw/zinc/04/38/40/939043840.db2.gz VWILFUCUEHJKLF-MRXNPFEDSA-N 0 0 411.424 4.233 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])nn1-c1ccccc1 ZINC000540091223 939067186 /nfs/dbraw/zinc/06/71/86/939067186.db2.gz YTEBZAKPGKNEDB-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(C3CC3)c(Cc3ccccc3Cl)s2)n1 ZINC000540124963 939081952 /nfs/dbraw/zinc/08/19/52/939081952.db2.gz OFVOYZKJJLSJOV-UHFFFAOYSA-N 0 0 417.878 4.159 20 5 HIBDRN COc1cc(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)ccc1[N+](=O)[O-] ZINC000540132276 939084845 /nfs/dbraw/zinc/08/48/45/939084845.db2.gz UIJVQGYPUUXMNB-UHFFFAOYSA-N 0 0 415.496 4.295 20 5 HIBDRN COc1ccc(CN[C@H](C)c2ccccc2I)cc1[N+](=O)[O-] ZINC000540170009 939101708 /nfs/dbraw/zinc/10/17/08/939101708.db2.gz CDFGCMDTFOAJNC-LLVKDONJSA-N 0 0 412.227 4.059 20 5 HIBDRN Cn1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(-c2ccccc2)n1 ZINC000540235620 939157149 /nfs/dbraw/zinc/15/71/49/939157149.db2.gz ATBCSZSDVBSZOW-UHFFFAOYSA-N 0 0 408.461 4.194 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000540252329 939169735 /nfs/dbraw/zinc/16/97/35/939169735.db2.gz HMHMLAQEZKHWPH-NVXWUHKLSA-N 0 0 410.854 4.369 20 5 HIBDRN O=C(NCc1ccco1)c1cccc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)c1 ZINC000540371390 939213615 /nfs/dbraw/zinc/21/36/15/939213615.db2.gz BCRVHJXXVAWTDT-UHFFFAOYSA-N 0 0 410.817 4.169 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000540453242 939255774 /nfs/dbraw/zinc/25/57/74/939255774.db2.gz AGPOWICVGHXSJC-KBXCAEBGSA-N 0 0 413.499 4.019 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000540455134 939257870 /nfs/dbraw/zinc/25/78/70/939257870.db2.gz SXOITSYMVKSVKA-KRWDZBQOSA-N 0 0 423.485 4.406 20 5 HIBDRN CN(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540455178 939258039 /nfs/dbraw/zinc/25/80/39/939258039.db2.gz VXSBCYOFQSLUCX-UHFFFAOYSA-N 0 0 422.466 4.225 20 5 HIBDRN Cc1ccc([C@@H](C)NCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000540480058 939269327 /nfs/dbraw/zinc/26/93/27/939269327.db2.gz GEBQXMHWFPLSES-BEFAXECRSA-N 0 0 422.441 4.118 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000540512509 939282896 /nfs/dbraw/zinc/28/28/96/939282896.db2.gz XPIVNHMNCKXNQH-HXUWFJFHSA-N 0 0 417.465 4.478 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)N1CCCC2(CCCCC2)C1 ZINC000540520975 939285817 /nfs/dbraw/zinc/28/58/17/939285817.db2.gz IIVUDRMGRKCFJL-UHFFFAOYSA-N 0 0 401.492 4.051 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000540542027 939298077 /nfs/dbraw/zinc/29/80/77/939298077.db2.gz GPEZFLWQMWKHBC-CRAIPNDOSA-N 0 0 404.394 4.348 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000540546580 939300564 /nfs/dbraw/zinc/30/05/64/939300564.db2.gz XFVKWSZTAUBVOK-UHFFFAOYSA-N 0 0 413.257 4.499 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000540568120 939307127 /nfs/dbraw/zinc/30/71/27/939307127.db2.gz FELFNCSGKOIMBO-QRWLVFNGSA-N 0 0 403.454 4.430 20 5 HIBDRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000540568118 939307150 /nfs/dbraw/zinc/30/71/50/939307150.db2.gz FELFNCSGKOIMBO-FOIQADDNSA-N 0 0 403.454 4.430 20 5 HIBDRN O=C(NCc1cc(Cl)cc2c1OCC2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540567315 939307249 /nfs/dbraw/zinc/30/72/49/939307249.db2.gz OZCPREHNNDAECT-UHFFFAOYSA-N 0 0 409.829 4.175 20 5 HIBDRN O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000540574620 939309124 /nfs/dbraw/zinc/30/91/24/939309124.db2.gz JVUPLGIPRWUALM-INIZCTEOSA-N 0 0 413.817 4.146 20 5 HIBDRN COc1ccnc2c(NC(=O)c3sc(Br)cc3[N+](=O)[O-])cccc12 ZINC000563664527 945242683 /nfs/dbraw/zinc/24/26/83/945242683.db2.gz DNBMHIFTBXGMRX-UHFFFAOYSA-N 0 0 408.233 4.228 20 5 HIBDRN O=C(CN1CCC(c2cccc(F)c2F)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000563663841 945242944 /nfs/dbraw/zinc/24/29/44/945242944.db2.gz XZTGFXKJUWEOAU-UHFFFAOYSA-N 0 0 409.820 4.345 20 5 HIBDRN O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000540617757 939321435 /nfs/dbraw/zinc/32/14/35/939321435.db2.gz BBLMTYSBJWXYGN-FXAWDEMLSA-N 0 0 413.271 4.151 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(C)cc(Br)c2O)c1 ZINC000540623231 939322758 /nfs/dbraw/zinc/32/27/58/939322758.db2.gz NIPIBJBTMKOLBB-UHFFFAOYSA-N 0 0 409.236 4.087 20 5 HIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000540628339 939323528 /nfs/dbraw/zinc/32/35/28/939323528.db2.gz YUPVTPVUZBAWTD-INIZCTEOSA-N 0 0 408.458 4.044 20 5 HIBDRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000540747089 939357183 /nfs/dbraw/zinc/35/71/83/939357183.db2.gz DIRZJWIYJUTTKT-UHFFFAOYSA-N 0 0 407.455 4.324 20 5 HIBDRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000540781615 939370553 /nfs/dbraw/zinc/37/05/53/939370553.db2.gz KVBAWDLHUZTPPY-UHFFFAOYSA-N 0 0 403.154 4.047 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000540785347 939371535 /nfs/dbraw/zinc/37/15/35/939371535.db2.gz BNJXOXVWHAVBPF-ZDUSSCGKSA-N 0 0 413.499 4.473 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 ZINC000540787041 939371985 /nfs/dbraw/zinc/37/19/85/939371985.db2.gz YMVLZCIMTKYFEJ-HNAYVOBHSA-N 0 0 402.516 4.209 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)cc([N+](=O)[O-])c1OC ZINC000540789985 939373085 /nfs/dbraw/zinc/37/30/85/939373085.db2.gz YPCIKVAXULCZDI-UHFFFAOYSA-N 0 0 416.821 4.012 20 5 HIBDRN COc1cccc(CC(=O)N2CCc3ccc(NCc4ccccc4[N+](=O)[O-])cc32)c1 ZINC000540808667 939378989 /nfs/dbraw/zinc/37/89/89/939378989.db2.gz DTEYSHOHGYBGCP-UHFFFAOYSA-N 0 0 417.465 4.347 20 5 HIBDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000540826794 939386448 /nfs/dbraw/zinc/38/64/48/939386448.db2.gz PBAQWWUIXNBPFL-HOCLYGCPSA-N 0 0 405.520 4.294 20 5 HIBDRN O=c1nc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)[nH]c2scc(-c3ccco3)c21 ZINC000540856489 939397183 /nfs/dbraw/zinc/39/71/83/939397183.db2.gz QXAUURXJGZXEFX-UHFFFAOYSA-N 0 0 419.422 4.477 20 5 HIBDRN O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)NCc1ccccc1OC1CCCC1 ZINC000540857731 939397614 /nfs/dbraw/zinc/39/76/14/939397614.db2.gz CZHCWTKPXHBEPA-UHFFFAOYSA-N 0 0 420.469 4.096 20 5 HIBDRN O=c1[nH]cnc2cc(N[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)c([N+](=O)[O-])cc12 ZINC000540868532 939404398 /nfs/dbraw/zinc/40/43/98/939404398.db2.gz GCKSHLSCIFICBU-JTQLQIEISA-N 0 0 420.256 4.241 20 5 HIBDRN Cc1noc(C)c1CSc1ccccc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000540879905 939409134 /nfs/dbraw/zinc/40/91/34/939409134.db2.gz HZQNOEBJOFWKQD-UHFFFAOYSA-N 0 0 424.482 4.085 20 5 HIBDRN O=C(Cc1cc(Br)ccc1F)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000540893586 939412683 /nfs/dbraw/zinc/41/26/83/939412683.db2.gz JRZKYTAQOTYAIQ-UHFFFAOYSA-N 0 0 415.646 4.051 20 5 HIBDRN Cc1noc(-c2ccc(C)c(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])c2)n1 ZINC000540901341 939414182 /nfs/dbraw/zinc/41/41/82/939414182.db2.gz UAUMUZHEOYAHBI-UHFFFAOYSA-N 0 0 415.837 4.279 20 5 HIBDRN C[C@@](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)(c1ccc(F)cc1)C(F)(F)F ZINC000541008133 939430390 /nfs/dbraw/zinc/43/03/90/939430390.db2.gz BTKHFXLJUHFQQU-GOSISDBHSA-N 0 0 409.339 4.283 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)c[nH]1 ZINC000541012970 939431522 /nfs/dbraw/zinc/43/15/22/939431522.db2.gz IDLUFYSGWCJXOW-AWEZNQCLSA-N 0 0 416.384 4.467 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)cc1[N+](=O)[O-] ZINC000541072350 939450384 /nfs/dbraw/zinc/45/03/84/939450384.db2.gz PPIZPYYVUBIRDD-UHFFFAOYSA-N 0 0 410.430 4.494 20 5 HIBDRN COc1ccc(NC(=O)CSCc2cc(-c3cccs3)on2)cc1[N+](=O)[O-] ZINC000541071948 939450580 /nfs/dbraw/zinc/45/05/80/939450580.db2.gz RKXXBALLNATKCS-UHFFFAOYSA-N 0 0 405.457 4.192 20 5 HIBDRN COc1ccc(NC(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000541097688 939459307 /nfs/dbraw/zinc/45/93/07/939459307.db2.gz BRZKTFNCVYUIFU-LJQANCHMSA-N 0 0 413.474 4.167 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129526 939471795 /nfs/dbraw/zinc/47/17/95/939471795.db2.gz GJHKMDUGYYXTTE-CQSZACIVSA-N 0 0 410.396 4.213 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129525 939471869 /nfs/dbraw/zinc/47/18/69/939471869.db2.gz GJHKMDUGYYXTTE-AWEZNQCLSA-N 0 0 410.396 4.213 20 5 HIBDRN CSc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1 ZINC000541231121 939486645 /nfs/dbraw/zinc/48/66/45/939486645.db2.gz IAWOETQWORWOJO-CQSZACIVSA-N 0 0 421.544 4.274 20 5 HIBDRN CCCc1c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000541248822 939487572 /nfs/dbraw/zinc/48/75/72/939487572.db2.gz FUPSSNUTJIRFCN-UHFFFAOYSA-N 0 0 410.430 4.003 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCc3cccc(-c4ncc[nH]4)c3)cc2[N+](=O)[O-])C1 ZINC000541266734 939488490 /nfs/dbraw/zinc/48/84/90/939488490.db2.gz TXINAPWUZUQVEH-INIZCTEOSA-N 0 0 419.485 4.151 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1cc(F)c(F)c(F)c1 ZINC000541273321 939488826 /nfs/dbraw/zinc/48/88/26/939488826.db2.gz OJNGFSYNDNUUOO-UHFFFAOYSA-N 0 0 404.797 4.117 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)cc([N+](=O)[O-])c1 ZINC000541279751 939489062 /nfs/dbraw/zinc/48/90/62/939489062.db2.gz ZJEKEGHUZZBXDW-UHFFFAOYSA-N 0 0 408.357 4.089 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000541298698 939489979 /nfs/dbraw/zinc/48/99/79/939489979.db2.gz KBFZVOZIHICVPK-CYBMUJFWSA-N 0 0 404.492 4.062 20 5 HIBDRN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000541327696 939491083 /nfs/dbraw/zinc/49/10/83/939491083.db2.gz WCSCCBRLODSCHO-YWZLYKJASA-N 0 0 420.387 4.381 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000541332953 939491428 /nfs/dbraw/zinc/49/14/28/939491428.db2.gz WJWITSCIKGZTJG-INIZCTEOSA-N 0 0 403.307 4.013 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(-c2nnnn2C2CC2)c1 ZINC000541414782 939509617 /nfs/dbraw/zinc/50/96/17/939509617.db2.gz CSULBQKIFJBPMY-UHFFFAOYSA-N 0 0 424.486 4.256 20 5 HIBDRN CC(C)(NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000541474281 939530804 /nfs/dbraw/zinc/53/08/04/939530804.db2.gz BGQYHMVVHIDHLS-KRWDZBQOSA-N 0 0 410.518 4.453 20 5 HIBDRN O=C(NC[C@H](O)CCc1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000541527341 939544608 /nfs/dbraw/zinc/54/46/08/939544608.db2.gz VBNGTTUUXUKTMM-LJQANCHMSA-N 0 0 422.506 4.470 20 5 HIBDRN COc1ccc([C@H](OC)[C@@H](C)Nc2ncc([N+](=O)[O-])c(C)c2Br)cc1 ZINC000541576107 939559097 /nfs/dbraw/zinc/55/90/97/939559097.db2.gz WJDHQTAIHHTLHV-BDJLRTHQSA-N 0 0 410.268 4.257 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2c2ncc([N+](=O)[O-])c(C)c2Br)c1 ZINC000541577035 939559134 /nfs/dbraw/zinc/55/91/34/939559134.db2.gz BQEFBWXQYJBPJL-CQSZACIVSA-N 0 0 422.279 4.419 20 5 HIBDRN COc1cc2nc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)sc2cc1OC ZINC000541585023 939560677 /nfs/dbraw/zinc/56/06/77/939560677.db2.gz JYQGBCBRMVJCRS-VIFPVBQESA-N 0 0 405.407 4.103 20 5 HIBDRN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541608765 939569024 /nfs/dbraw/zinc/56/90/24/939569024.db2.gz VVBBRSNHGXKBRL-RYUDHWBXSA-N 0 0 414.355 4.440 20 5 HIBDRN CCOc1c(Cl)cc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000541611229 939569432 /nfs/dbraw/zinc/56/94/32/939569432.db2.gz QVZMTNFFPLZDHI-LLVKDONJSA-N 0 0 410.829 4.215 20 5 HIBDRN CN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541635835 939578824 /nfs/dbraw/zinc/57/88/24/939578824.db2.gz HTFGSYWPDYQRDF-WMZOPIPTSA-N 0 0 404.463 4.205 20 5 HIBDRN Cc1cc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1Cl ZINC000541641284 939582889 /nfs/dbraw/zinc/58/28/89/939582889.db2.gz UTKONJOEXOZTLY-UHFFFAOYSA-N 0 0 402.756 4.428 20 5 HIBDRN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000541657199 939590666 /nfs/dbraw/zinc/59/06/66/939590666.db2.gz MBIHTINSHLQMCY-CXAGYDPISA-N 0 0 422.407 4.420 20 5 HIBDRN COc1ccccc1CC1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000541665127 939595585 /nfs/dbraw/zinc/59/55/85/939595585.db2.gz YEKSAGIURPLWPW-HNNXBMFYSA-N 0 0 400.450 4.327 20 5 HIBDRN Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000541681299 939599432 /nfs/dbraw/zinc/59/94/32/939599432.db2.gz BHMBRUOWTAQBIZ-LLVKDONJSA-N 0 0 412.377 4.025 20 5 HIBDRN O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541786093 939629776 /nfs/dbraw/zinc/62/97/76/939629776.db2.gz XNHKLYNDCMVWDP-UHFFFAOYSA-N 0 0 413.365 4.217 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000541786597 939630115 /nfs/dbraw/zinc/63/01/15/939630115.db2.gz XWSCVWYVVGPOOA-VBKZILBWSA-N 0 0 417.437 4.181 20 5 HIBDRN C[C@@H](C(=O)Nc1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000541799390 939635975 /nfs/dbraw/zinc/63/59/75/939635975.db2.gz XDRWSEJRSXHVIC-SECBINFHSA-N 0 0 423.326 4.280 20 5 HIBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000541868227 939647936 /nfs/dbraw/zinc/64/79/36/939647936.db2.gz JGJNZUBFCXCIAI-LJQANCHMSA-N 0 0 420.487 4.047 20 5 HIBDRN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]2C ZINC000541933181 939657215 /nfs/dbraw/zinc/65/72/15/939657215.db2.gz MESAAKSXUJPNOI-RYUDHWBXSA-N 0 0 406.385 4.353 20 5 HIBDRN CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541936812 939657910 /nfs/dbraw/zinc/65/79/10/939657910.db2.gz CCKGCSACKOQTOF-UHFFFAOYSA-N 0 0 412.320 4.073 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000541973399 939667282 /nfs/dbraw/zinc/66/72/82/939667282.db2.gz SVTBJWXBARUWGT-OAHLLOKOSA-N 0 0 422.279 4.219 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1[N+](=O)[O-] ZINC000541996710 939674442 /nfs/dbraw/zinc/67/44/42/939674442.db2.gz NQGQUYMAAQYKDG-UHFFFAOYSA-N 0 0 400.822 4.312 20 5 HIBDRN COc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000541999121 939675902 /nfs/dbraw/zinc/67/59/02/939675902.db2.gz NFJFUNCQSAHUCQ-UHFFFAOYSA-N 0 0 415.627 4.037 20 5 HIBDRN COc1ccc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000542027757 939691913 /nfs/dbraw/zinc/69/19/13/939691913.db2.gz BQLFGHRRZDXHSZ-UHFFFAOYSA-N 0 0 424.432 4.414 20 5 HIBDRN COc1ccc(NC(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000542029333 939692509 /nfs/dbraw/zinc/69/25/09/939692509.db2.gz JJCWUQVDJAANDL-AWEZNQCLSA-N 0 0 405.838 4.332 20 5 HIBDRN O=C([C@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCc2c1cccc2[N+](=O)[O-] ZINC000542186487 939749463 /nfs/dbraw/zinc/74/94/63/939749463.db2.gz ZWQNTIMIKVREGU-OXQOHEQNSA-N 0 0 413.271 4.151 20 5 HIBDRN O=[N+]([O-])c1ccccc1OC[C@H](O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000542189682 939750252 /nfs/dbraw/zinc/75/02/52/939750252.db2.gz WCWMYBGIEGUIAY-LBPRGKRZSA-N 0 0 417.512 4.010 20 5 HIBDRN CCC(CC)[C@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000542202339 939755132 /nfs/dbraw/zinc/75/51/32/939755132.db2.gz ZPSVHHFEHHZVBA-GOEBONIOSA-N 0 0 400.928 4.440 20 5 HIBDRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000542205874 939756100 /nfs/dbraw/zinc/75/61/00/939756100.db2.gz RMKXDYMNISUCIM-REWPJTCUSA-N 0 0 417.465 4.438 20 5 HIBDRN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000542317028 939797736 /nfs/dbraw/zinc/79/77/36/939797736.db2.gz OLZAIRLVWGAHJH-HXUWFJFHSA-N 0 0 418.280 4.443 20 5 HIBDRN CC(C)Oc1c(F)cc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1F ZINC000542364136 939808196 /nfs/dbraw/zinc/80/81/96/939808196.db2.gz FJORGQWESUWEDS-UHFFFAOYSA-N 0 0 417.368 4.226 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)cc([N+](=O)[O-])c1 ZINC000542442119 939823840 /nfs/dbraw/zinc/82/38/40/939823840.db2.gz VKCYICBTFSOIGF-VBKZILBWSA-N 0 0 412.442 4.003 20 5 HIBDRN Cc1ccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)c(O[C@H]2CCOC2)c1 ZINC000542506166 939834271 /nfs/dbraw/zinc/83/42/71/939834271.db2.gz ANLNHZDXYQDCDA-AWEZNQCLSA-N 0 0 422.279 4.149 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1CC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000542511394 939835081 /nfs/dbraw/zinc/83/50/81/939835081.db2.gz NRDLJPHHHVRYCD-CYBMUJFWSA-N 0 0 402.422 4.360 20 5 HIBDRN Cc1c(Br)c(NCc2cccc(NC(=O)C3CCC3)c2)ncc1[N+](=O)[O-] ZINC000542522538 939836920 /nfs/dbraw/zinc/83/69/20/939836920.db2.gz VFXXDNFFPZIGRR-UHFFFAOYSA-N 0 0 419.279 4.411 20 5 HIBDRN COc1ccc(Oc2cc(CNc3ncnc4cccc([N+](=O)[O-])c43)ccn2)cc1 ZINC000542521385 939836984 /nfs/dbraw/zinc/83/69/84/939836984.db2.gz 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HIBDRN C[C@@H](C(=O)N1CC[C@@H](OCCCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542552891 939842399 /nfs/dbraw/zinc/84/23/99/939842399.db2.gz WFLPCSPKYCHGLI-VQIMIIECSA-N 0 0 400.450 4.088 20 5 HIBDRN C[C@@H](CNc1nc(NC[C@H](C)c2nccs2)c([N+](=O)[O-])s1)c1nccs1 ZINC000542553470 939842715 /nfs/dbraw/zinc/84/27/15/939842715.db2.gz FQMIORMDZRHWEN-UWVGGRQHSA-N 0 0 410.550 4.396 20 5 HIBDRN CN(c1ncc([N+](=O)[O-])cc1Br)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542554804 939842787 /nfs/dbraw/zinc/84/27/87/939842787.db2.gz WIAXRQMSDGJTSB-CJNGLKHVSA-N 0 0 410.243 4.248 20 5 HIBDRN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000542563388 939844287 /nfs/dbraw/zinc/84/42/87/939844287.db2.gz XJCAKSUNZQCGER-RDJZCZTQSA-N 0 0 412.339 4.403 20 5 HIBDRN C[C@H](C(=O)NCCOc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000542595516 939847332 /nfs/dbraw/zinc/84/73/32/939847332.db2.gz LSSPBADGTRYKCL-NSHDSACASA-N 0 0 400.328 4.051 20 5 HIBDRN CCOC(=O)c1sc([C@H](C)NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nc1C ZINC000542615195 939848815 /nfs/dbraw/zinc/84/88/15/939848815.db2.gz AVRXLZIDMBYPRN-LBPRGKRZSA-N 0 0 416.459 4.042 20 5 HIBDRN C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1noc(Cc2ccccc2)n1 ZINC000542618868 939849232 /nfs/dbraw/zinc/84/92/32/939849232.db2.gz MPMNCPHKGBXLMG-OAHLLOKOSA-N 0 0 419.441 4.117 20 5 HIBDRN CSc1ccc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000542679807 939853734 /nfs/dbraw/zinc/85/37/34/939853734.db2.gz VABIPBOPQFDSSD-FUHWJXTLSA-N 0 0 404.463 4.448 20 5 HIBDRN Cc1n[nH]cc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542689655 939854406 /nfs/dbraw/zinc/85/44/06/939854406.db2.gz OSTKNRHPZRBFJF-UHFFFAOYSA-N 0 0 402.520 4.271 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000542704012 939855428 /nfs/dbraw/zinc/85/54/28/939855428.db2.gz LTMULEAGYNVRLS-QFIPXVFZSA-N 0 0 410.495 4.186 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000542713697 939856079 /nfs/dbraw/zinc/85/60/79/939856079.db2.gz GWEYTZHFEZCGBU-INIZCTEOSA-N 0 0 413.327 4.358 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F)O[C@H](C)C2 ZINC000542763420 939859614 /nfs/dbraw/zinc/85/96/14/939859614.db2.gz ZBTJIORQYHAMCK-VZSAFFHGSA-N 0 0 415.421 4.134 20 5 HIBDRN CC[C@@H](CC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)c1ccccc1 ZINC000542771861 939860032 /nfs/dbraw/zinc/86/00/32/939860032.db2.gz VOHBPVHINWWYGG-KRWDZBQOSA-N 0 0 421.501 4.094 20 5 HIBDRN Cc1nnc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)s1 ZINC000542820637 939861357 /nfs/dbraw/zinc/86/13/57/939861357.db2.gz GKAOWTIIOGNIDE-UHFFFAOYSA-N 0 0 404.835 4.130 20 5 HIBDRN COc1ccc(CC2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC2)cc1 ZINC000542886260 939865277 /nfs/dbraw/zinc/86/52/77/939865277.db2.gz ZNFKAEHNDFLRPM-UHFFFAOYSA-N 0 0 420.412 4.300 20 5 HIBDRN O=C(Nc1cc(F)c(F)cc1Br)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542893397 939874579 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COc1cc(-c2nc([C@H](OC)c3ccc(Br)cc3)no2)ccc1[N+](=O)[O-] ZINC000545813699 940608738 /nfs/dbraw/zinc/60/87/38/940608738.db2.gz SCNHSEBOSJZTIW-OAHLLOKOSA-N 0 0 420.219 4.152 20 5 HIBDRN CC(C)c1ccc(C(=O)[C@@H](C)Sc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)cc1 ZINC000545816686 940610923 /nfs/dbraw/zinc/61/09/23/940610923.db2.gz JDOFVTJACXYHCK-CYBMUJFWSA-N 0 0 411.483 4.329 20 5 HIBDRN CCOCCOc1cc(C)ccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545819048 940612521 /nfs/dbraw/zinc/61/25/21/940612521.db2.gz PRCMNHSHHMCWSZ-UHFFFAOYSA-N 0 0 418.465 4.052 20 5 HIBDRN C[C@H](Cc1ccc2ccccc2n1)Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C ZINC000545818890 940612543 /nfs/dbraw/zinc/61/25/43/940612543.db2.gz RJEWAZMARXOCOE-CYBMUJFWSA-N 0 0 406.467 4.113 20 5 HIBDRN COc1ccc(OC2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000545825935 940618093 /nfs/dbraw/zinc/61/80/93/940618093.db2.gz DITIXFUHYHFLIA-UHFFFAOYSA-N 0 0 416.449 4.090 20 5 HIBDRN CC(C)(C(=O)N1CC[C@H](COCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F 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RUTKOKDOBUMQSW-LJQANCHMSA-N 0 0 414.849 4.360 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000545899116 940655443 /nfs/dbraw/zinc/65/54/43/940655443.db2.gz GVGLMGSAAPAODL-UHFFFAOYSA-N 0 0 401.271 4.010 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000545958414 940665296 /nfs/dbraw/zinc/66/52/96/940665296.db2.gz BABYESPWYYQKOK-SNVBAGLBSA-N 0 0 414.384 4.111 20 5 HIBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000563990392 945338940 /nfs/dbraw/zinc/33/89/40/945338940.db2.gz UVJDIQPXXNXGOG-QGZVFWFLSA-N 0 0 421.497 4.154 20 5 HIBDRN Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000546048150 940682172 /nfs/dbraw/zinc/68/21/72/940682172.db2.gz QTLGPBGHYCVAPS-UHFFFAOYSA-N 0 0 416.890 4.334 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000546095182 940698727 /nfs/dbraw/zinc/69/87/27/940698727.db2.gz UZMZEKIPZBJWFR-UHFFFAOYSA-N 0 0 414.405 4.108 20 5 HIBDRN CCOc1cc(NC(=O)NC(C)(C)c2ccc(C)nc2)c([N+](=O)[O-])cc1OCC ZINC000546126836 940706910 /nfs/dbraw/zinc/70/69/10/940706910.db2.gz JXTKBBJEAZHMTQ-UHFFFAOYSA-N 0 0 402.451 4.152 20 5 HIBDRN COc1ccc(C(=O)CC(C)(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000546149705 940714309 /nfs/dbraw/zinc/71/43/09/940714309.db2.gz DIBSBLQVZGTHJC-UHFFFAOYSA-N 0 0 410.470 4.177 20 5 HIBDRN COC(=O)c1cc(-c2nc(Cc3csc(-c4ccccc4)n3)no2)cc([N+](=O)[O-])c1 ZINC000546237775 940740338 /nfs/dbraw/zinc/74/03/38/940740338.db2.gz VKESYTRGTLFKMR-UHFFFAOYSA-N 0 0 422.422 4.146 20 5 HIBDRN CC(C)COc1cn(-c2ccccc2)nc1-c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000546241181 940742352 /nfs/dbraw/zinc/74/23/52/940742352.db2.gz XYLCJGISFQKVDS-UHFFFAOYSA-N 0 0 419.441 4.456 20 5 HIBDRN O=[N+]([O-])c1ccccc1Cc1noc(COc2ccccc2OCC(F)(F)F)n1 ZINC000546242756 940743906 /nfs/dbraw/zinc/74/39/06/940743906.db2.gz RXGGTCNDLCGECQ-UHFFFAOYSA-N 0 0 409.320 4.089 20 5 HIBDRN COc1ccc(C)cc1Cc1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000546246947 940746751 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QFILHRVCJGJDOE-UHFFFAOYSA-N 0 0 423.347 4.494 20 5 HIBDRN Cc1c[nH]c(=O)n1-c1cccc(-c2noc(C=Cc3ccc(F)cc3[N+](=O)[O-])n2)c1 ZINC000546358675 940801284 /nfs/dbraw/zinc/80/12/84/940801284.db2.gz AUXSSCWEMFCNQH-SOFGYWHQSA-N 0 0 407.361 4.154 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2ccccc2-n2cccn2)no1 ZINC000546370907 940803848 /nfs/dbraw/zinc/80/38/48/940803848.db2.gz LJQKMNCVXOFSHW-UHFFFAOYSA-N 0 0 411.805 4.105 20 5 HIBDRN Cc1ccc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)c(N2CCCC2)n1 ZINC000546370688 940803852 /nfs/dbraw/zinc/80/38/52/940803852.db2.gz YOMJERLLKJCHRL-UHFFFAOYSA-N 0 0 417.372 4.217 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1nc(Cc2ccc(F)c(Br)c2)no1 ZINC000546375389 940804803 /nfs/dbraw/zinc/80/48/03/940804803.db2.gz KXWINMGPLGILIJ-UHFFFAOYSA-N 0 0 421.226 4.125 20 5 HIBDRN COc1cccc2[nH]cc(Cc3noc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)n3)c21 ZINC000546416874 940814962 /nfs/dbraw/zinc/81/49/62/940814962.db2.gz FOQDAYYVDNEUPB-UHFFFAOYSA-N 0 0 403.398 4.131 20 5 HIBDRN CS[C@H]1C(=O)Nc2ccc(-c3noc(-c4ccc(NC5CC5)c([N+](=O)[O-])c4)n3)cc21 ZINC000546425754 940817454 /nfs/dbraw/zinc/81/74/54/940817454.db2.gz IQJNMUNITSMBHZ-QGZVFWFLSA-N 0 0 423.454 4.242 20 5 HIBDRN CC(=O)N1CCC[C@@H](c2noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)C1 ZINC000546442447 940820804 /nfs/dbraw/zinc/82/08/04/940820804.db2.gz ICLDEIQBMGHFAX-MRXNPFEDSA-N 0 0 407.430 4.114 20 5 HIBDRN Cc1c(-c2nc(-c3cc(C(F)(F)F)ccc3-n3cncn3)no2)cccc1[N+](=O)[O-] ZINC000546450924 940823178 /nfs/dbraw/zinc/82/31/78/940823178.db2.gz DSTSCXPIJNQMSB-UHFFFAOYSA-N 0 0 416.319 4.220 20 5 HIBDRN Cc1ccc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cn1 ZINC000546467321 940827816 /nfs/dbraw/zinc/82/78/16/940827816.db2.gz MSEBWDBZDCKCNZ-QPJJXVBHSA-N 0 0 401.220 4.205 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H](C)CNC(=O)c2ccccc2)no1 ZINC000546468078 940828272 /nfs/dbraw/zinc/82/82/72/940828272.db2.gz FSTQUCQZPVKDAQ-UONOGXRCSA-N 0 0 412.471 4.365 20 5 HIBDRN Cc1c(Cc2noc([C@@]3(C)CCCN(C(=O)c4ccccc4)C3)n2)cccc1[N+](=O)[O-] ZINC000546484839 940832859 /nfs/dbraw/zinc/83/28/59/940832859.db2.gz HUCMBTBVOKAGBX-QHCPKHFHSA-N 0 0 420.469 4.071 20 5 HIBDRN CCOc1c(Cl)cc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1OC ZINC000546485646 940832865 /nfs/dbraw/zinc/83/28/65/940832865.db2.gz JPJGJLXGNMWNEQ-QPJJXVBHSA-N 0 0 416.821 4.195 20 5 HIBDRN COc1ccc(CCc2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)cc1Cl ZINC000546486085 940833159 /nfs/dbraw/zinc/83/31/59/940833159.db2.gz SAIJSWPLJAIHRB-UHFFFAOYSA-N 0 0 403.822 4.024 20 5 HIBDRN COc1cc(Cc2noc(/C=C\c3ccccc3OC(F)F)n2)ccc1[N+](=O)[O-] ZINC000546486038 940833347 /nfs/dbraw/zinc/83/33/47/940833347.db2.gz QCLPSSRUGGKYMA-CLFYSBASSA-N 0 0 403.341 4.349 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc(OCc4ccccc4)nc3)n2)ccc1[N+](=O)[O-] ZINC000546488157 940833897 /nfs/dbraw/zinc/83/38/97/940833897.db2.gz NRPAWIDWHGKDME-UHFFFAOYSA-N 0 0 418.409 4.218 20 5 HIBDRN COc1cc(Cc2noc(Cc3csc(Cc4ccccc4)n3)n2)ccc1[N+](=O)[O-] ZINC000546491983 940835340 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CC(=O)c1ccc(OC[C@H](O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 ZINC000550175763 941293598 /nfs/dbraw/zinc/29/35/98/941293598.db2.gz LDXFUMYZFMQDJR-KRWDZBQOSA-N 0 0 413.451 4.345 20 5 HIBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000550277216 941308179 /nfs/dbraw/zinc/30/81/79/941308179.db2.gz SQHSFRJCFNYIGD-WCQYABFASA-N 0 0 401.326 4.412 20 5 HIBDRN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000550287158 941309578 /nfs/dbraw/zinc/30/95/78/941309578.db2.gz FCGHQRVLUNLMJR-KBPBESRZSA-N 0 0 422.420 4.381 20 5 HIBDRN C[C@@]1(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CCOC1 ZINC000550345025 941317015 /nfs/dbraw/zinc/31/70/15/941317015.db2.gz RJQNCNBHJCWGOF-MCZSENPKSA-N 0 0 423.494 4.430 20 5 HIBDRN O=C(COc1ccc(Cl)c(F)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000550649220 941349920 /nfs/dbraw/zinc/34/99/20/941349920.db2.gz JLPOYGMVHZCJBJ-UHFFFAOYSA-N 0 0 420.746 4.357 20 5 HIBDRN CC(=O)Nc1ccc(C)cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C 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ZINC000552611088 941723350 /nfs/dbraw/zinc/72/33/50/941723350.db2.gz UGCOESWXTXIRKV-UHFFFAOYSA-N 0 0 403.866 4.157 20 5 HIBDRN CC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000552645281 941729317 /nfs/dbraw/zinc/72/93/17/941729317.db2.gz ABSAWAYIHFBFSN-HNNXBMFYSA-N 0 0 423.263 4.256 20 5 HIBDRN CN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000552705066 941741322 /nfs/dbraw/zinc/74/13/22/941741322.db2.gz ZIDMKMOUDMBBLY-UHFFFAOYSA-N 0 0 416.462 4.065 20 5 HIBDRN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c12 ZINC000552716267 941744143 /nfs/dbraw/zinc/74/41/43/941744143.db2.gz HKHRDAWISHRDEY-UHFFFAOYSA-N 0 0 416.437 4.421 20 5 HIBDRN COc1ccc(Cn2cc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])cn2)cc1 ZINC000552810001 941772177 /nfs/dbraw/zinc/77/21/77/941772177.db2.gz GMPISXLDTXSOJX-UHFFFAOYSA-N 0 0 400.822 4.062 20 5 HIBDRN O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000552872274 941794796 /nfs/dbraw/zinc/79/47/96/941794796.db2.gz ZFCSNOYFUBGALP-FQEVSTJZSA-N 0 0 420.469 4.023 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552960051 941808861 /nfs/dbraw/zinc/80/88/61/941808861.db2.gz BTVJMUFQLQQAFX-TUNNFDKTSA-N 0 0 402.454 4.189 20 5 HIBDRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)[C@H]1[C@H]3C2 ZINC000552991864 941812509 /nfs/dbraw/zinc/81/25/09/941812509.db2.gz MPLWGKIJHAEPFK-XHXJHSHESA-N 0 0 410.495 4.241 20 5 HIBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000552991860 941812543 /nfs/dbraw/zinc/81/25/43/941812543.db2.gz MPLWGKIJHAEPFK-QPOHIBMRSA-N 0 0 410.495 4.241 20 5 HIBDRN CCCc1c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnn1Cc1ccccc1 ZINC000553060327 941826558 /nfs/dbraw/zinc/82/65/58/941826558.db2.gz GXFVTYWIYVPHQK-UHFFFAOYSA-N 0 0 406.486 4.107 20 5 HIBDRN CSc1ccc(NC(=O)Cn2cc(Nc3c(F)cccc3[N+](=O)[O-])cn2)cc1 ZINC000553066898 941827590 /nfs/dbraw/zinc/82/75/90/941827590.db2.gz UWAJIDDRQKGFQH-UHFFFAOYSA-N 0 0 401.423 4.035 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1c2ccc(Br)cc2[C@@H]2CCCC[C@@H]21 ZINC000553108923 941834150 /nfs/dbraw/zinc/83/41/50/941834150.db2.gz BOTMGINDDPYPDH-HOCLYGCPSA-N 0 0 419.279 4.017 20 5 HIBDRN Cc1[nH]nc(C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000553114143 941835039 /nfs/dbraw/zinc/83/50/39/941835039.db2.gz XZMOGSAUIJOHJQ-AAEUAGOBSA-N 0 0 405.252 4.075 20 5 HIBDRN CC[C@](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)(C(=O)OC)c1ccc(Cl)cc1 ZINC000553139110 941838954 /nfs/dbraw/zinc/83/89/54/941838954.db2.gz BNMFFNHRPZLFQO-MPBGBICISA-N 0 0 422.840 4.086 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](NCc2ccccc2)c2ccco2)c1 ZINC000553214838 941850794 /nfs/dbraw/zinc/85/07/94/941850794.db2.gz LGGPIFCCSNYNBV-SFHVURJKSA-N 0 0 411.483 4.171 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)c1 ZINC000553214837 941850887 /nfs/dbraw/zinc/85/08/87/941850887.db2.gz LGGPIFCCSNYNBV-GOSISDBHSA-N 0 0 411.483 4.171 20 5 HIBDRN COc1ccccc1O[C@@H]1CCCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000553221910 941851984 /nfs/dbraw/zinc/85/19/84/941851984.db2.gz VKWPKBZBNISRCE-CQSZACIVSA-N 0 0 402.472 4.009 20 5 HIBDRN O=C(c1cc(N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000553252700 941857011 /nfs/dbraw/zinc/85/70/11/941857011.db2.gz XBMBLYUQOIRSBM-NRFANRHFSA-N 0 0 419.403 4.184 20 5 HIBDRN COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000553257935 941857432 /nfs/dbraw/zinc/85/74/32/941857432.db2.gz VJZJSSVDTKCPTP-CQSZACIVSA-N 0 0 424.375 4.306 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@H](C)c2ccc(OCc3cccnc3)cc2)c1[N+](=O)[O-] ZINC000553275939 941859819 /nfs/dbraw/zinc/85/98/19/941859819.db2.gz ZNZDJSWQHBOADI-OAHLLOKOSA-N 0 0 422.441 4.232 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000553296806 941863036 /nfs/dbraw/zinc/86/30/36/941863036.db2.gz RAGOAXMGNSOLMC-GGPKGHCWSA-N 0 0 402.454 4.189 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000553320772 941867185 /nfs/dbraw/zinc/86/71/85/941867185.db2.gz QLPAPQJRNXIOJT-MRXNPFEDSA-N 0 0 406.891 4.464 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000553380439 941876485 /nfs/dbraw/zinc/87/64/85/941876485.db2.gz HNLVQAUUJQFJGH-KZULUSFZSA-N 0 0 424.375 4.224 20 5 HIBDRN CC(=O)c1cc(N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)ccc1[N+](=O)[O-] ZINC000553383050 941877501 /nfs/dbraw/zinc/87/75/01/941877501.db2.gz BBMNPGRZTFDQNR-HNNXBMFYSA-N 0 0 410.405 4.371 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)N(CC(C)(C)C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000553384284 941877746 /nfs/dbraw/zinc/87/77/46/941877746.db2.gz HKDRUEQQBXBLBV-UHFFFAOYSA-N 0 0 419.551 4.409 20 5 HIBDRN O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000553430164 941883095 /nfs/dbraw/zinc/88/30/95/941883095.db2.gz KQSDGIFNQDPRED-MRXNPFEDSA-N 0 0 408.241 4.236 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1Br)c1ccc(C(F)(F)F)cn1 ZINC000553431804 941883423 /nfs/dbraw/zinc/88/34/23/941883423.db2.gz AYLULSRUVVNIOY-UHFFFAOYSA-N 0 0 405.126 4.033 20 5 HIBDRN CC[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000553437201 941885090 /nfs/dbraw/zinc/88/50/90/941885090.db2.gz PMDHYGWEAYKVFJ-GFCCVEGCSA-N 0 0 406.280 4.137 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCCc1cccc(C(F)(F)F)c1 ZINC000553457917 941888418 /nfs/dbraw/zinc/88/84/18/941888418.db2.gz LAWQUFIMALNVCV-UHFFFAOYSA-N 0 0 409.408 4.430 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)c1[N+](=O)[O-] ZINC000553508264 941899075 /nfs/dbraw/zinc/89/90/75/941899075.db2.gz KSKOHCONPIMJPM-MRXNPFEDSA-N 0 0 421.295 4.257 20 5 HIBDRN CS(=O)(=O)c1ccc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000553516898 941900676 /nfs/dbraw/zinc/90/06/76/941900676.db2.gz USGSCCQERZFWBC-UHFFFAOYSA-N 0 0 422.812 4.325 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000553515199 941900808 /nfs/dbraw/zinc/90/08/08/941900808.db2.gz ZNNCCMSCIIWYAH-DLBZAZTESA-N 0 0 418.291 4.097 20 5 HIBDRN Cc1cc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)on1 ZINC000553568194 941911351 /nfs/dbraw/zinc/91/13/51/941911351.db2.gz CHHFYOARHKBILS-UHFFFAOYSA-N 0 0 414.849 4.129 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCOc3c(Br)cccc32)s1 ZINC000553591373 941915314 /nfs/dbraw/zinc/91/53/14/941915314.db2.gz XTLNEOJURGGNIP-LLVKDONJSA-N 0 0 407.249 4.298 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553717885 941951029 /nfs/dbraw/zinc/95/10/29/941951029.db2.gz SQIRHBSGJGZINK-DIFFPNOSSA-N 0 0 412.339 4.355 20 5 HIBDRN C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553721613 941952072 /nfs/dbraw/zinc/95/20/72/941952072.db2.gz GGBJVJXBICTVNV-HZMBPMFUSA-N 0 0 400.378 4.277 20 5 HIBDRN CNc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000553721868 941952214 /nfs/dbraw/zinc/95/22/14/941952214.db2.gz LBYBKMNHKWKBCS-KZULUSFZSA-N 0 0 423.391 4.258 20 5 HIBDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCCC2 ZINC000553852156 941983314 /nfs/dbraw/zinc/98/33/14/941983314.db2.gz AQTCXPJEGBDLCA-IAGOWNOFSA-N 0 0 400.422 4.032 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000554060949 942027433 /nfs/dbraw/zinc/02/74/33/942027433.db2.gz GSDDIHWZPIGLRC-LBPRGKRZSA-N 0 0 411.384 4.067 20 5 HIBDRN CC[C@@H]1NC(=O)N(Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1=O ZINC000554123232 942042238 /nfs/dbraw/zinc/04/22/38/942042238.db2.gz AKTPRCPYECAOOZ-AWEZNQCLSA-N 0 0 407.785 4.010 20 5 HIBDRN CCCc1nc(C)c(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)o1 ZINC000554156746 942051897 /nfs/dbraw/zinc/05/18/97/942051897.db2.gz AGFPJKILHWIZPO-UHFFFAOYSA-N 0 0 411.408 4.138 20 5 HIBDRN COc1ccc(C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1Br ZINC000554176846 942058273 /nfs/dbraw/zinc/05/82/73/942058273.db2.gz IOYORDKKDWCRFO-UHFFFAOYSA-N 0 0 416.231 4.112 20 5 HIBDRN CCOc1cc(NC(=O)NCCc2ccc(F)cc2F)c([N+](=O)[O-])cc1OCC ZINC000554587404 942172837 /nfs/dbraw/zinc/17/28/37/942172837.db2.gz SYTIYHUNHUKXBY-UHFFFAOYSA-N 0 0 409.389 4.035 20 5 HIBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000554675975 942195322 /nfs/dbraw/zinc/19/53/22/942195322.db2.gz WBXPORYBTKFHMM-UHFFFAOYSA-N 0 0 422.268 4.067 20 5 HIBDRN Cc1c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cccc1OCC(F)(F)F ZINC000554706247 942205181 /nfs/dbraw/zinc/20/51/81/942205181.db2.gz IJUQDIYDRAKRPL-UHFFFAOYSA-N 0 0 404.291 4.304 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000554742460 942217624 /nfs/dbraw/zinc/21/76/24/942217624.db2.gz PVFPMVUYUCDEPT-SFHVURJKSA-N 0 0 412.364 4.076 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000554763725 942227860 /nfs/dbraw/zinc/22/78/60/942227860.db2.gz IWYHCZMQQYJKPL-LLVKDONJSA-N 0 0 413.352 4.255 20 5 HIBDRN Cc1c(C(=O)Nc2cc(C(F)F)ccc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000554777869 942233502 /nfs/dbraw/zinc/23/35/02/942233502.db2.gz LYNKYOPWMHJFKB-UHFFFAOYSA-N 0 0 407.764 4.327 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000554779490 942233782 /nfs/dbraw/zinc/23/37/82/942233782.db2.gz BRMNDBHIRZFZIH-SFHVURJKSA-N 0 0 424.375 4.026 20 5 HIBDRN COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)c(OCCOC(C)C)c1 ZINC000554809248 942253331 /nfs/dbraw/zinc/25/33/31/942253331.db2.gz KJOPDRXFZGKGTP-UHFFFAOYSA-N 0 0 413.430 4.433 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000554813413 942256464 /nfs/dbraw/zinc/25/64/64/942256464.db2.gz KXVWSOFQYFRMNO-GOSISDBHSA-N 0 0 422.338 4.201 20 5 HIBDRN CCC(CC)(CCO)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000554820183 942261200 /nfs/dbraw/zinc/26/12/00/942261200.db2.gz JVDLNNXKOCKBTH-UHFFFAOYSA-N 0 0 409.533 4.182 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000554871639 942302513 /nfs/dbraw/zinc/30/25/13/942302513.db2.gz WOAVJVJQULVCNE-FQEVSTJZSA-N 0 0 408.458 4.248 20 5 HIBDRN CCc1nc2cc(CNC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)ccc2n1C1CC1 ZINC000554935784 942324794 /nfs/dbraw/zinc/32/47/94/942324794.db2.gz LAPFATVSTGHPJQ-UHFFFAOYSA-N 0 0 419.485 4.110 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554943286 942327343 /nfs/dbraw/zinc/32/73/43/942327343.db2.gz QXAKMQBOEHQHRR-CQSZACIVSA-N 0 0 421.881 4.368 20 5 HIBDRN CCCN(C(=O)c1cc(OCC)ccc1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000554943841 942328007 /nfs/dbraw/zinc/32/80/07/942328007.db2.gz FCKHAMAKNPBVQJ-MRXNPFEDSA-N 0 0 413.474 4.263 20 5 HIBDRN CN(c1ccccc1)c1ccc(CNc2cccc3c2OCC(=O)N3)cc1[N+](=O)[O-] ZINC000554966052 942336562 /nfs/dbraw/zinc/33/65/62/942336562.db2.gz SHQOVQNJOXZKPX-UHFFFAOYSA-N 0 0 404.426 4.306 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000554969231 942337918 /nfs/dbraw/zinc/33/79/18/942337918.db2.gz HZOUQUQIMYHLBS-LJQANCHMSA-N 0 0 422.441 4.411 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCCc2ccccc2)CC1 ZINC000555023424 942360764 /nfs/dbraw/zinc/36/07/64/942360764.db2.gz BJHZHXXMOJIAOV-UHFFFAOYSA-N 0 0 421.501 4.101 20 5 HIBDRN Cc1cc(-c2nc(Cc3nc(=O)c4c(C5CC5)csc4[nH]3)no2)ccc1[N+](=O)[O-] ZINC000555088981 942382617 /nfs/dbraw/zinc/38/26/17/942382617.db2.gz DPXKZLZCBKJPSM-UHFFFAOYSA-N 0 0 409.427 4.132 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(C2CCCC2)n1C[C@H]1CCCCO1 ZINC000555218199 942434320 /nfs/dbraw/zinc/43/43/20/942434320.db2.gz AJGSUZQRCBZTIB-LJQANCHMSA-N 0 0 413.522 4.092 20 5 HIBDRN O=[N+]([O-])c1c(Sc2nnc3ccc(Br)cn32)ccc2ncccc21 ZINC000555250411 942445717 /nfs/dbraw/zinc/44/57/17/942445717.db2.gz AXZFPPIGAARPFG-UHFFFAOYSA-N 0 0 402.233 4.099 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CCC[C@](CO)(C(C)C)C3)c([N+](=O)[O-])c2)cc1 ZINC000555251774 942446812 /nfs/dbraw/zinc/44/68/12/942446812.db2.gz CHOJKCJILLAOGA-QHCPKHFHSA-N 0 0 411.502 4.390 20 5 HIBDRN COC(=O)c1ccc(Cl)c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1C ZINC000555288681 942463046 /nfs/dbraw/zinc/46/30/46/942463046.db2.gz HDFKNTSBJSFLDV-UHFFFAOYSA-N 0 0 401.806 4.006 20 5 HIBDRN Cn1ccnc1COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000555354879 942491312 /nfs/dbraw/zinc/49/13/12/942491312.db2.gz YNPOUTRVHZMMCO-UHFFFAOYSA-N 0 0 420.347 4.178 20 5 HIBDRN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C2CCOCC2)CC1 ZINC000555361224 942494360 /nfs/dbraw/zinc/49/43/60/942494360.db2.gz CXPSIVXIWSQRCS-UHFFFAOYSA-N 0 0 413.522 4.152 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC(c3nnc4ccccn43)CC2)c1 ZINC000555364747 942496477 /nfs/dbraw/zinc/49/64/77/942496477.db2.gz SJBVNWMZJOSORY-UHFFFAOYSA-N 0 0 405.380 4.036 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1cc(C)nn1-c1ccccc1 ZINC000555469104 942572507 /nfs/dbraw/zinc/57/25/07/942572507.db2.gz KPLVUINKEYUYOL-AWEZNQCLSA-N 0 0 412.471 4.217 20 5 HIBDRN CCOc1cc(CN2CCC[C@H]2c2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000555510423 942613653 /nfs/dbraw/zinc/61/36/53/942613653.db2.gz MPHUHVZTXAIAJA-INIZCTEOSA-N 0 0 406.280 4.488 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(CC(=O)Nc4cc([N+](=O)[O-])ccc4C)CC3)c2c1 ZINC000555553668 942640620 /nfs/dbraw/zinc/64/06/20/942640620.db2.gz IQJMCHNDBVJYTG-UHFFFAOYSA-N 0 0 420.469 4.121 20 5 HIBDRN CC(=O)CCc1ccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])c3ccccc23)cc1 ZINC000555564444 942644674 /nfs/dbraw/zinc/64/46/74/942644674.db2.gz KRZITUIHMYTFLM-GOSISDBHSA-N 0 0 409.438 4.088 20 5 HIBDRN CC(=O)c1ccc(OC[C@@H](O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000555580894 942652431 /nfs/dbraw/zinc/65/24/31/942652431.db2.gz MAGDTLYTNOBEPU-OAQYLSRUSA-N 0 0 421.449 4.207 20 5 HIBDRN C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000555737636 942716031 /nfs/dbraw/zinc/71/60/31/942716031.db2.gz ZGXNEHGSVOTQBX-HOTGVXAUSA-N 0 0 418.453 4.223 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)[C@H]2OCCc3sccc32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555773302 942726942 /nfs/dbraw/zinc/72/69/42/942726942.db2.gz QYMIJZINNLYNET-BFUOFWGJSA-N 0 0 412.471 4.039 20 5 HIBDRN CCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 ZINC000555812332 942742561 /nfs/dbraw/zinc/74/25/61/942742561.db2.gz SDOARGAZNKHGGK-UHFFFAOYSA-N 0 0 406.236 4.267 20 5 HIBDRN CC(C)(C(=O)Nc1nc2cc(Br)ccc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000556387240 942854838 /nfs/dbraw/zinc/85/48/38/942854838.db2.gz KLCSWLMUQHZZLO-UHFFFAOYSA-N 0 0 403.236 4.150 20 5 HIBDRN C[C@H](NC(=O)N1CCc2ccc(Br)cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000556401765 942857558 /nfs/dbraw/zinc/85/75/58/942857558.db2.gz WICLWPKUKBJKEY-LBPRGKRZSA-N 0 0 404.264 4.186 20 5 HIBDRN O=C(CC1CCCC1)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000556414478 942860807 /nfs/dbraw/zinc/86/08/07/942860807.db2.gz FOXJSQCBUZDQBO-UHFFFAOYSA-N 0 0 408.502 4.276 20 5 HIBDRN COc1cccc2c1ncc(C)c2NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000556452377 942871207 /nfs/dbraw/zinc/87/12/07/942871207.db2.gz FPHLRLHSVVCGQD-UHFFFAOYSA-N 0 0 403.341 4.314 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2cnc(CC3CC3)nc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000556477108 942879914 /nfs/dbraw/zinc/87/99/14/942879914.db2.gz VPPPJDZGSAPNLU-AWEZNQCLSA-N 0 0 418.457 4.158 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000556488341 942883120 /nfs/dbraw/zinc/88/31/20/942883120.db2.gz GAOLBMDCBGKWIR-MSOLQXFVSA-N 0 0 404.898 4.376 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)C1CCCC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000556615416 942917306 /nfs/dbraw/zinc/91/73/06/942917306.db2.gz WSMOCUMWZLQOPO-QFIPXVFZSA-N 0 0 421.497 4.134 20 5 HIBDRN CO[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000556885072 942951285 /nfs/dbraw/zinc/95/12/85/942951285.db2.gz LDADFVJOYHHKPI-MOPGFXCFSA-N 0 0 400.866 4.048 20 5 HIBDRN Cc1cccc(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1Br ZINC000556889219 942952276 /nfs/dbraw/zinc/95/22/76/942952276.db2.gz AKZINJVDCLDVGB-GOSISDBHSA-N 0 0 415.291 4.278 20 5 HIBDRN CN(c1ccccc1)c1ccc(CN2CCC([C@@H](O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000556926057 942969419 /nfs/dbraw/zinc/96/94/19/942969419.db2.gz VIQPFFOLCMFETP-HXUWFJFHSA-N 0 0 423.435 4.498 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000557006225 942992392 /nfs/dbraw/zinc/99/23/92/942992392.db2.gz IVXIPIJAWBHQNG-GOSISDBHSA-N 0 0 400.453 4.310 20 5 HIBDRN O=C(NCc1ccncc1OCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000557066597 943010189 /nfs/dbraw/zinc/01/01/89/943010189.db2.gz ANCMGFZGLWALHI-UHFFFAOYSA-N 0 0 403.394 4.245 20 5 HIBDRN Cc1c(Cl)cccc1N1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CC1 ZINC000557087329 943017836 /nfs/dbraw/zinc/01/78/36/943017836.db2.gz VISFLMINRVYFKV-UHFFFAOYSA-N 0 0 412.877 4.390 20 5 HIBDRN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000557155813 943034115 /nfs/dbraw/zinc/03/41/15/943034115.db2.gz CTQPATXXYOPJME-UHFFFAOYSA-N 0 0 417.263 4.441 20 5 HIBDRN O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000557180773 943042193 /nfs/dbraw/zinc/04/21/93/943042193.db2.gz XJJYGOSSHFALLK-KRWDZBQOSA-N 0 0 415.247 4.115 20 5 HIBDRN CC(C)c1nc(C2CCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])CC2)no1 ZINC000557296508 943068051 /nfs/dbraw/zinc/06/80/51/943068051.db2.gz UIUUMJATOHNUEP-UHFFFAOYSA-N 0 0 421.457 4.183 20 5 HIBDRN CCOc1cc(C(=O)N2CCC(c3ccc(F)cc3C)CC2)c([N+](=O)[O-])cc1OC ZINC000557305696 943068961 /nfs/dbraw/zinc/06/89/61/943068961.db2.gz OVOJRPIFGNMLKC-UHFFFAOYSA-N 0 0 416.449 4.469 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000557363861 943087698 /nfs/dbraw/zinc/08/76/98/943087698.db2.gz QVIOLWPBHOXRTE-UHFFFAOYSA-N 0 0 418.375 4.114 20 5 HIBDRN COc1ccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000557438897 943126996 /nfs/dbraw/zinc/12/69/96/943126996.db2.gz VZGBVNBCXPFLRK-SGTLLEGYSA-N 0 0 424.375 4.224 20 5 HIBDRN CC(=O)c1cc(N2CCO[C@@H](c3cccc(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000557534196 943196347 /nfs/dbraw/zinc/19/63/47/943196347.db2.gz JISKLUOQGJWRSF-GOSISDBHSA-N 0 0 405.248 4.138 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000557556751 943207656 /nfs/dbraw/zinc/20/76/56/943207656.db2.gz GMYUPPGBCPVPSJ-IUODEOHRSA-N 0 0 420.453 4.120 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)[S@]1=O ZINC000557579009 943217067 /nfs/dbraw/zinc/21/70/67/943217067.db2.gz SHGOHNCXUKFPSZ-OZAOTIOVSA-N 0 0 418.540 4.118 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)n1 ZINC000557633268 943239917 /nfs/dbraw/zinc/23/99/17/943239917.db2.gz ZXKUVRMEZWUCET-AWEZNQCLSA-N 0 0 424.482 4.118 20 5 HIBDRN COc1ccc(CC(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1[N+](=O)[O-] ZINC000557631444 943240303 /nfs/dbraw/zinc/24/03/03/943240303.db2.gz ZKVWCKXUODRWEW-GOSISDBHSA-N 0 0 407.348 4.047 20 5 HIBDRN COc1ccccc1O[C@@H]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000557694281 943260885 /nfs/dbraw/zinc/26/08/85/943260885.db2.gz VHKMSICDHTWYTM-OAHLLOKOSA-N 0 0 404.850 4.249 20 5 HIBDRN Cc1c(Br)c(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)ncc1[N+](=O)[O-] ZINC000557696320 943260926 /nfs/dbraw/zinc/26/09/26/943260926.db2.gz ANAQNINNVTUCQE-PMPSAXMXSA-N 0 0 418.291 4.070 20 5 HIBDRN O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c2ccncc21 ZINC000557700072 943262940 /nfs/dbraw/zinc/26/29/40/943262940.db2.gz PYPWHLGMADZIGM-IVZQSRNASA-N 0 0 405.458 4.037 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(NCc3cnn4ccccc34)c([N+](=O)[O-])c2)cc1 ZINC000557735730 943274586 /nfs/dbraw/zinc/27/45/86/943274586.db2.gz BOOUYHZDWYZXDK-UHFFFAOYSA-N 0 0 401.426 4.415 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000557942676 943336107 /nfs/dbraw/zinc/33/61/07/943336107.db2.gz ZPGDTVQQSOWMNR-NVXWUHKLSA-N 0 0 400.475 4.367 20 5 HIBDRN CSc1ccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)cc1[N+](=O)[O-] ZINC000557965791 943341803 /nfs/dbraw/zinc/34/18/03/943341803.db2.gz DUCDWMGAQOQSHX-UHFFFAOYSA-N 0 0 404.835 4.201 20 5 HIBDRN COc1cc(CCNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)ccc1Cl ZINC000557996838 943350341 /nfs/dbraw/zinc/35/03/41/943350341.db2.gz GECCCKCNCOJASK-UHFFFAOYSA-N 0 0 402.756 4.248 20 5 HIBDRN O=C(CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1)N1CCCCC1 ZINC000558061741 943369703 /nfs/dbraw/zinc/36/97/03/943369703.db2.gz MHZFYKLVJNRARS-UHFFFAOYSA-N 0 0 423.494 4.469 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1CN1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000558128040 943388598 /nfs/dbraw/zinc/38/85/98/943388598.db2.gz SYTDSUULLQLFCB-CYBMUJFWSA-N 0 0 404.776 4.463 20 5 HIBDRN COc1ccc(-c2ocnc2C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000558176008 943410700 /nfs/dbraw/zinc/41/07/00/943410700.db2.gz WVCDBSKMWODAIO-UHFFFAOYSA-N 0 0 421.331 4.207 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000558180170 943413302 /nfs/dbraw/zinc/41/33/02/943413302.db2.gz FCHVIMAEQRMWGA-CQSZACIVSA-N 0 0 410.449 4.422 20 5 HIBDRN CCCN(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000558184139 943417121 /nfs/dbraw/zinc/41/71/21/943417121.db2.gz PZMWWTROEBAVRA-UHFFFAOYSA-N 0 0 424.906 4.245 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000558262682 943465562 /nfs/dbraw/zinc/46/55/62/943465562.db2.gz DVUFHXRGWRFLRR-LBPRGKRZSA-N 0 0 424.335 4.196 20 5 HIBDRN C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nccn1-c1ccccc1 ZINC000558299718 943492558 /nfs/dbraw/zinc/49/25/58/943492558.db2.gz RSQXOFSGWJSHGR-GFCCVEGCSA-N 0 0 417.372 4.265 20 5 HIBDRN CC(C)(c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccc(OC(F)(F)F)cc1 ZINC000558352383 943521740 /nfs/dbraw/zinc/52/17/40/943521740.db2.gz FLUYWOJQPWSSIK-UHFFFAOYSA-N 0 0 408.336 4.188 20 5 HIBDRN Cc1nn(C)c(-c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)c1[N+](=O)[O-] ZINC000558389478 943542048 /nfs/dbraw/zinc/54/20/48/943542048.db2.gz BHBIMLQPTKVJRL-UHFFFAOYSA-N 0 0 420.307 4.028 20 5 HIBDRN C[C@@H](C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000558401560 943549704 /nfs/dbraw/zinc/54/97/04/943549704.db2.gz PGHOSACDXQFMOL-SECBINFHSA-N 0 0 419.306 4.150 20 5 HIBDRN COC(=O)c1sc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)nc1C1CCCC1 ZINC000558409006 943551865 /nfs/dbraw/zinc/55/18/65/943551865.db2.gz KOMPKDSKMBZNIP-UHFFFAOYSA-N 0 0 421.500 4.226 20 5 HIBDRN O=[N+]([O-])c1cc(I)cc(CNc2ccc(-c3cnco3)cc2)c1 ZINC000558486114 943572946 /nfs/dbraw/zinc/57/29/46/943572946.db2.gz RHLLCBDRFHOUJW-UHFFFAOYSA-N 0 0 421.194 4.467 20 5 HIBDRN CCOCc1nc([C@H](C)NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)no1 ZINC000558569063 943602219 /nfs/dbraw/zinc/60/22/19/943602219.db2.gz DMVDYTGGAJYNJF-HNNXBMFYSA-N 0 0 411.462 4.133 20 5 HIBDRN CC[C@]1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)OCCc2ccccc21 ZINC000558578494 943606368 /nfs/dbraw/zinc/60/63/68/943606368.db2.gz DTCGMOBIHCXAAE-JOCHJYFZSA-N 0 0 400.450 4.006 20 5 HIBDRN COc1ccc(C[C@@](C)(O)CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1OC ZINC000558599780 943614144 /nfs/dbraw/zinc/61/41/44/943614144.db2.gz YWVMRQFYXVKJCC-GOSISDBHSA-N 0 0 414.380 4.036 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)n(C3CCCCC3)n2)cc1SC ZINC000558615416 943618802 /nfs/dbraw/zinc/61/88/02/943618802.db2.gz 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CSc1cccc(-c2nc([C@@H](NC(=O)c3ccccc3)C3CC3)no2)c1[N+](=O)[O-] ZINC000573214216 948108644 /nfs/dbraw/zinc/10/86/44/948108644.db2.gz HUFGNSVDZOSWGT-INIZCTEOSA-N 0 0 410.455 4.248 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccc2ncccc2c1 ZINC000573213070 948108925 /nfs/dbraw/zinc/10/89/25/948108925.db2.gz VRAAHFNCOOCVDD-UHFFFAOYSA-N 0 0 400.232 4.144 20 5 HIBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000573281434 948140749 /nfs/dbraw/zinc/14/07/49/948140749.db2.gz TYOYFDNASIFWHJ-CQSZACIVSA-N 0 0 403.241 4.143 20 5 HIBDRN Cc1noc(C)c1COc1ccccc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000573364434 948169367 /nfs/dbraw/zinc/16/93/67/948169367.db2.gz NIQHERHOLADJMP-UHFFFAOYSA-N 0 0 407.386 4.078 20 5 HIBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC000573381525 948174503 /nfs/dbraw/zinc/17/45/03/948174503.db2.gz MTQLTHOJHHKGDH-UHFFFAOYSA-N 0 0 409.494 4.059 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C)c(C(F)(F)F)s2)cc1SC ZINC000573403828 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HIBDRN O=C(NCc1c(F)cccc1N1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573944448 948330805 /nfs/dbraw/zinc/33/08/05/948330805.db2.gz ZLXGOAGHOQPQQA-UHFFFAOYSA-N 0 0 411.355 4.283 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000574056269 948353599 /nfs/dbraw/zinc/35/35/99/948353599.db2.gz RDYWKNOCJVGOKQ-ZDUSSCGKSA-N 0 0 421.247 4.086 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cc3cccnc3c(OC)c2)cc1[N+](=O)[O-] ZINC000574166774 948377709 /nfs/dbraw/zinc/37/77/09/948377709.db2.gz PMZXWKBPQMECOA-UHFFFAOYSA-N 0 0 413.455 4.032 20 5 HIBDRN CCSc1nccnc1-c1noc(-c2cc([N+](=O)[O-])cc(Br)c2C)n1 ZINC000574208062 948387519 /nfs/dbraw/zinc/38/75/19/948387519.db2.gz WJVVWPVPQFXHNL-UHFFFAOYSA-N 0 0 422.264 4.285 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2nccnc2c1Br ZINC000574265125 948400919 /nfs/dbraw/zinc/40/09/19/948400919.db2.gz ISUXXVPRTFNIIJ-UHFFFAOYSA-N 0 0 415.247 4.478 20 5 HIBDRN CCOC(=O)c1cc(-c2nc(Cc3c[nH]c4c3cccc4C)no2)cc([N+](=O)[O-])c1 ZINC000574328581 948414544 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C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ccccc2Cl)CC1 ZINC000007351980 845314584 /nfs/dbraw/zinc/31/45/84/845314584.db2.gz FGHPISOQOQFQMN-CQSZACIVSA-N 0 0 413.865 4.181 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 ZINC000007454634 845335571 /nfs/dbraw/zinc/33/55/71/845335571.db2.gz WCIZFKSXUQWYBG-GFCCVEGCSA-N 0 0 414.443 4.081 20 5 HIBDRN COc1ccc(Br)cc1COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000007481754 845341857 /nfs/dbraw/zinc/34/18/57/845341857.db2.gz RFBKUBZWXCJWAC-UHFFFAOYSA-N 0 0 412.261 4.201 20 5 HIBDRN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000007542503 845357405 /nfs/dbraw/zinc/35/74/05/845357405.db2.gz VBPPKYSKFLXALH-UHFFFAOYSA-N 0 0 412.486 4.059 20 5 HIBDRN C[C@H](OC(=O)C1(c2ccccc2F)CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007562577 845362789 /nfs/dbraw/zinc/36/27/89/845362789.db2.gz RPFICUHTVJQBLD-AWEZNQCLSA-N 0 0 400.406 4.116 20 5 HIBDRN CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc2cc3ccccc3cc2c1=O ZINC000007577855 845366633 /nfs/dbraw/zinc/36/66/33/845366633.db2.gz SNNKTZVYJGMTSW-DNVCBOLYSA-N 0 0 409.555 4.357 20 5 HIBDRN COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000007605046 845371781 /nfs/dbraw/zinc/37/17/81/845371781.db2.gz JGNIFXAYUXZDGO-SECBINFHSA-N 0 0 413.213 4.094 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007618901 845373898 /nfs/dbraw/zinc/37/38/98/845373898.db2.gz HEMMIYFYHSKLKX-ZDUSSCGKSA-N 0 0 411.439 4.211 20 5 HIBDRN COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000007626012 845376215 /nfs/dbraw/zinc/37/62/15/845376215.db2.gz UPQDGJBIUUUYHS-LBPRGKRZSA-N 0 0 414.439 4.311 20 5 HIBDRN CC(=O)N(c1nc(COC(=O)Cc2ccccc2[N+](=O)[O-])cs1)c1ccccc1 ZINC000007657978 845384271 /nfs/dbraw/zinc/38/42/71/845384271.db2.gz FYTYUVBCCQXAHT-UHFFFAOYSA-N 0 0 411.439 4.022 20 5 HIBDRN CCN(CC)C(=S)SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000007704261 845393513 /nfs/dbraw/zinc/39/35/13/845393513.db2.gz MTVLSVUPZHFAMN-UHFFFAOYSA-N 0 0 410.546 4.017 20 5 HIBDRN Cc1nc2ccccc2c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000007710998 845396334 /nfs/dbraw/zinc/39/63/34/845396334.db2.gz OMUBDHQILQNZOC-CYBMUJFWSA-N 0 0 411.389 4.083 20 5 HIBDRN COCCN(C(=O)c1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000007756265 845405677 /nfs/dbraw/zinc/40/56/77/845405677.db2.gz YZDIBELXNMUBQT-UHFFFAOYSA-N 0 0 413.455 4.020 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c(C)c2)cc1OC ZINC000007807442 845418765 /nfs/dbraw/zinc/41/87/65/845418765.db2.gz JHMODPICLHBTNI-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN O=C(NCCc1cc(F)cc(F)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436254521 861566655 /nfs/dbraw/zinc/56/66/55/861566655.db2.gz UHZTWLYJPHYJRT-UHFFFAOYSA-N 0 0 414.358 4.210 20 5 HIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] ZINC000007853516 845431789 /nfs/dbraw/zinc/43/17/89/845431789.db2.gz XBUUVGHWWPKLOO-LLVKDONJSA-N 0 0 408.863 4.463 20 5 HIBDRN Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000007890953 845443336 /nfs/dbraw/zinc/44/33/36/845443336.db2.gz FZPGHRZYCTZHHP-UHFFFAOYSA-N 0 0 405.410 4.173 20 5 HIBDRN COc1ccc2cc(CN(C)CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2c1 ZINC000007926658 845448873 /nfs/dbraw/zinc/44/88/73/845448873.db2.gz AUNVPRZGYUIAKZ-UHFFFAOYSA-N 0 0 413.861 4.481 20 5 HIBDRN COc1ccc(-c2nc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cs2)cc1OC ZINC000007949760 845452394 /nfs/dbraw/zinc/45/23/94/845452394.db2.gz HTMOYXXAFOQUIK-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN COc1ccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000008148616 845481782 /nfs/dbraw/zinc/48/17/82/845481782.db2.gz JIVZWSZUFQGSGG-UHFFFAOYSA-N 0 0 413.455 4.016 20 5 HIBDRN Cc1c(C(=O)OCC(=O)N[C@H](c2cccs2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000008154491 845482257 /nfs/dbraw/zinc/48/22/57/845482257.db2.gz VPGQYYVPVAYGCV-FQEVSTJZSA-N 0 0 410.451 4.027 20 5 HIBDRN Cc1cc(Cl)ccc1N1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2Cl)NC1=S ZINC000008207968 845492937 /nfs/dbraw/zinc/49/29/37/845492937.db2.gz LVINAPQPKZCBDC-RIYZIHGNSA-N 0 0 408.266 4.472 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008262229 845501545 /nfs/dbraw/zinc/50/15/45/845501545.db2.gz OACBROZCNGXQEQ-OAHLLOKOSA-N 0 0 410.499 4.331 20 5 HIBDRN CN(Cc1ccc(Br)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000008291936 845509599 /nfs/dbraw/zinc/50/95/99/845509599.db2.gz WZVYSGIJBAJPPK-UHFFFAOYSA-N 0 0 404.264 4.204 20 5 HIBDRN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000008346656 845516809 /nfs/dbraw/zinc/51/68/09/845516809.db2.gz YDFSEABPUAHYRP-UHFFFAOYSA-N 0 0 411.849 4.485 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccco1 ZINC000008620229 845541783 /nfs/dbraw/zinc/54/17/83/845541783.db2.gz RWRJOMRIIDHZLS-SNVBAGLBSA-N 0 0 421.866 4.239 20 5 HIBDRN O=C(COC(=O)CCCSc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000008928788 845553650 /nfs/dbraw/zinc/55/36/50/845553650.db2.gz NQCUAEICGMOGGT-UHFFFAOYSA-N 0 0 408.863 4.302 20 5 HIBDRN Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000008929770 845554142 /nfs/dbraw/zinc/55/41/42/845554142.db2.gz SMCBSSWBOXZOGN-ZDUSSCGKSA-N 0 0 418.833 4.090 20 5 HIBDRN O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000009352585 845566785 /nfs/dbraw/zinc/56/67/85/845566785.db2.gz YQNHNUYMQKJFKL-UHFFFAOYSA-N 0 0 415.254 4.176 20 5 HIBDRN C[C@@H](NC(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000009352065 845567421 /nfs/dbraw/zinc/56/74/21/845567421.db2.gz NGOXUQGSDCKXIG-OAHLLOKOSA-N 0 0 424.478 4.261 20 5 HIBDRN O=C(COC(=O)c1ccc(COc2ccccc2)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000009480743 845572155 /nfs/dbraw/zinc/57/21/55/845572155.db2.gz STOYXFSVIQVUEY-UHFFFAOYSA-N 0 0 424.384 4.108 20 5 HIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000009621280 845576591 /nfs/dbraw/zinc/57/65/91/845576591.db2.gz JNYVYIJTRQOMTB-SECBINFHSA-N 0 0 412.826 4.293 20 5 HIBDRN CCc1cc2c(COC(=O)c3ccc(SC)c([N+](=O)[O-])c3)cc(=O)oc2cc1O ZINC000009621849 845577657 /nfs/dbraw/zinc/57/76/57/845577657.db2.gz VPCIGIYFJHKDGG-UHFFFAOYSA-N 0 0 415.423 4.048 20 5 HIBDRN CSc1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000009622077 845577790 /nfs/dbraw/zinc/57/77/90/845577790.db2.gz ZDDZLTRPGCHMKJ-UHFFFAOYSA-N 0 0 414.361 4.131 20 5 HIBDRN Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000009718171 845585274 /nfs/dbraw/zinc/58/52/74/845585274.db2.gz OLBUTHYKXCBISM-UHFFFAOYSA-N 0 0 415.789 4.007 20 5 HIBDRN CC(C)[C@H](NC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000009765234 845589925 /nfs/dbraw/zinc/58/99/25/845589925.db2.gz OOBHHULYLNNGKZ-SFHVURJKSA-N 0 0 408.813 4.058 20 5 HIBDRN C[C@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009791254 845591026 /nfs/dbraw/zinc/59/10/26/845591026.db2.gz TWEWOGALFJNCPK-LBPRGKRZSA-N 0 0 418.496 4.257 20 5 HIBDRN Cc1c(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cccc1[N+](=O)[O-] ZINC000009806832 845593170 /nfs/dbraw/zinc/59/31/70/845593170.db2.gz CRKAFZSEAFBTDN-UHFFFAOYSA-N 0 0 407.304 4.329 20 5 HIBDRN Cc1ccc2c(CC(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)coc2c1C ZINC000009812853 845594444 /nfs/dbraw/zinc/59/44/44/845594444.db2.gz ZOWOZGZQPSENHQ-UHFFFAOYSA-N 0 0 416.817 4.336 20 5 HIBDRN O=C(OCc1coc(-c2cccs2)n1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000009849014 845597121 /nfs/dbraw/zinc/59/71/21/845597121.db2.gz OLWXHIPKRHBAAX-UHFFFAOYSA-N 0 0 409.217 4.431 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000009891377 845599615 /nfs/dbraw/zinc/59/96/15/845599615.db2.gz HFDHPCASEAHNMM-UHFFFAOYSA-N 0 0 421.297 4.474 20 5 HIBDRN CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)CC2 ZINC000009989379 845611980 /nfs/dbraw/zinc/61/19/80/845611980.db2.gz YLCTVGOYQFFPIT-UHFFFAOYSA-N 0 0 416.499 4.313 20 5 HIBDRN CCOc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000010139840 845623739 /nfs/dbraw/zinc/62/37/39/845623739.db2.gz VAWYBNXCHHQFTO-UHFFFAOYSA-N 0 0 422.485 4.293 20 5 HIBDRN COc1cc(C(=O)OCc2cc(-c3ccccc3)on2)c([N+](=O)[O-])cc1OC(F)F ZINC000010275314 845641150 /nfs/dbraw/zinc/64/11/50/845641150.db2.gz ZXVSWECMGOWOHG-UHFFFAOYSA-N 0 0 420.324 4.217 20 5 HIBDRN C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000010318481 845645807 /nfs/dbraw/zinc/64/58/07/845645807.db2.gz ABLGRDYNHDFNJZ-LLVKDONJSA-N 0 0 402.501 4.390 20 5 HIBDRN Cn1ccnc1Sc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010424080 845658446 /nfs/dbraw/zinc/65/84/46/845658446.db2.gz GDTMVIPLTLXLQR-UHFFFAOYSA-N 0 0 400.485 4.210 20 5 HIBDRN O=C(NCc1nnc2ccccn21)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000010430520 845660543 /nfs/dbraw/zinc/66/05/43/845660543.db2.gz VXHIIAFFUXNUBJ-UHFFFAOYSA-N 0 0 423.816 4.013 20 5 HIBDRN Cc1ccc(Sc2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)c(C)c1 ZINC000010452586 845662757 /nfs/dbraw/zinc/66/27/57/845662757.db2.gz BKJGPVPLWMRHFJ-UHFFFAOYSA-N 0 0 409.467 4.163 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(Br)s1 ZINC000010501941 845668740 /nfs/dbraw/zinc/66/87/40/845668740.db2.gz UBXFQMYBTXXIAR-SNVBAGLBSA-N 0 0 415.334 4.258 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Sc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 ZINC000010535886 845670968 /nfs/dbraw/zinc/67/09/68/845670968.db2.gz XGAVRKDMZFEOQG-VIFPVBQESA-N 0 0 401.366 4.137 20 5 HIBDRN C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000010592261 845678241 /nfs/dbraw/zinc/67/82/41/845678241.db2.gz NWCOECPJLVDXFC-SECBINFHSA-N 0 0 404.429 4.232 20 5 HIBDRN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)c1C ZINC000010592937 845679024 /nfs/dbraw/zinc/67/90/24/845679024.db2.gz WDMGCYBFANSMMX-JTQLQIEISA-N 0 0 419.484 4.300 20 5 HIBDRN CCCOc1cc(NC(=O)c2cccc(N(C)C)c2)c([N+](=O)[O-])cc1OCCC ZINC000010632413 845682301 /nfs/dbraw/zinc/68/23/01/845682301.db2.gz PXGGHAOUIRIORK-UHFFFAOYSA-N 0 0 401.463 4.491 20 5 HIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000010647086 845685840 /nfs/dbraw/zinc/68/58/40/845685840.db2.gz HQNDSRWWNHVBAP-INIZCTEOSA-N 0 0 420.421 4.358 20 5 HIBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(Br)cc1 ZINC000010666379 845690976 /nfs/dbraw/zinc/69/09/76/845690976.db2.gz JBXKZAIQPCPHFI-SECBINFHSA-N 0 0 412.623 4.439 20 5 HIBDRN C[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000010743741 845701102 /nfs/dbraw/zinc/70/11/02/845701102.db2.gz FACHVGYHMULTRW-VIFPVBQESA-N 0 0 416.739 4.451 20 5 HIBDRN C[C@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000010757371 845702502 /nfs/dbraw/zinc/70/25/02/845702502.db2.gz BYIAVOULDJCLHW-HUYFXPKMSA-N 0 0 409.225 4.485 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CSc1nnc(NCCc2ccccc2)s1 ZINC000010775376 845705434 /nfs/dbraw/zinc/70/54/34/845705434.db2.gz YHPXKFOVANZNFF-UHFFFAOYSA-N 0 0 402.501 4.402 20 5 HIBDRN O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000010796254 845708457 /nfs/dbraw/zinc/70/84/57/845708457.db2.gz BBDNVTXDKFDPLD-UHFFFAOYSA-N 0 0 403.605 4.351 20 5 HIBDRN O=C(COC(=O)c1ccccc1COc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000010853835 845715976 /nfs/dbraw/zinc/71/59/76/845715976.db2.gz PXFCQYAHFCSZMK-UHFFFAOYSA-N 0 0 424.384 4.108 20 5 HIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000010921957 845727163 /nfs/dbraw/zinc/72/71/63/845727163.db2.gz ABHFQANGDNNTDT-ZETCQYMHSA-N 0 0 406.700 4.044 20 5 HIBDRN O=C(COc1ccc(Cl)cc1Cl)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000010963207 845732281 /nfs/dbraw/zinc/73/22/81/845732281.db2.gz QNJZWAAFIGIFNA-UHFFFAOYSA-N 0 0 413.213 4.080 20 5 HIBDRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c(F)c1 ZINC000010966286 845733450 /nfs/dbraw/zinc/73/34/50/845733450.db2.gz MXTQWWHNMVNJOT-UHFFFAOYSA-N 0 0 414.418 4.377 20 5 HIBDRN CCN(c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(C)C ZINC000011029017 845745851 /nfs/dbraw/zinc/74/58/51/845745851.db2.gz JNVSAQSQHMMZLI-UHFFFAOYSA-N 0 0 419.865 4.278 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H](c3ccccc3)C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000011216377 845767824 /nfs/dbraw/zinc/76/78/24/845767824.db2.gz LOKDXTCGPQOLPI-OAQYLSRUSA-N 0 0 404.470 4.338 20 5 HIBDRN Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)o2)cc1 ZINC000011227565 845768602 /nfs/dbraw/zinc/76/86/02/845768602.db2.gz VECQNXKKORQPGZ-ZDUSSCGKSA-N 0 0 408.414 4.446 20 5 HIBDRN Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)o2)cc1 ZINC000011227558 845769110 /nfs/dbraw/zinc/76/91/10/845769110.db2.gz VECQNXKKORQPGZ-CYBMUJFWSA-N 0 0 408.414 4.446 20 5 HIBDRN Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000011342312 845782604 /nfs/dbraw/zinc/78/26/04/845782604.db2.gz NPZMFSXTRMROMG-CYBMUJFWSA-N 0 0 411.439 4.211 20 5 HIBDRN COc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000011341859 845782688 /nfs/dbraw/zinc/78/26/88/845782688.db2.gz VFUYATLUPXTZMX-NRFANRHFSA-N 0 0 420.421 4.449 20 5 HIBDRN 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ZINC000016003185 846111232 /nfs/dbraw/zinc/11/12/32/846111232.db2.gz RMXXBIFBJMEPKO-UHFFFAOYSA-N 0 0 408.483 4.170 20 5 HIBDRN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000016011299 846112157 /nfs/dbraw/zinc/11/21/57/846112157.db2.gz KEYTZZCHYCLNET-UHFFFAOYSA-N 0 0 400.822 4.349 20 5 HIBDRN Cc1ccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1[N+](=O)[O-] ZINC000016014560 846112379 /nfs/dbraw/zinc/11/23/79/846112379.db2.gz LLWBZIKCMYMZRC-UHFFFAOYSA-N 0 0 412.833 4.411 20 5 HIBDRN CC(C)C(=O)Nc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000016017176 846113233 /nfs/dbraw/zinc/11/32/33/846113233.db2.gz DCNRPJZHXMCXPI-UHFFFAOYSA-N 0 0 410.474 4.044 20 5 HIBDRN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cccc(Cl)c1 ZINC000016014821 846113404 /nfs/dbraw/zinc/11/34/04/846113404.db2.gz KYBIFFNGZMVPMT-UHFFFAOYSA-N 0 0 400.822 4.349 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2c(c1)OCCO2 ZINC000016020055 846114294 /nfs/dbraw/zinc/11/42/94/846114294.db2.gz 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Cc1nc(-c2ccccc2)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000016166536 846132363 /nfs/dbraw/zinc/13/23/63/846132363.db2.gz JXUDPZBIFIVTLG-AWEZNQCLSA-N 0 0 423.400 4.288 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2C)c1 ZINC000016197156 846137395 /nfs/dbraw/zinc/13/73/95/846137395.db2.gz LRUQLCXAQMVZBH-LLVKDONJSA-N 0 0 408.863 4.463 20 5 HIBDRN Cc1[nH]c2ccccc2c1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000016296070 846149291 /nfs/dbraw/zinc/14/92/91/846149291.db2.gz DKVZOXMCVFNKQI-LLVKDONJSA-N 0 0 401.806 4.222 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)c1 ZINC000016458788 846174469 /nfs/dbraw/zinc/17/44/69/846174469.db2.gz FOJTWQUMCAAEHC-UHFFFAOYSA-N 0 0 419.437 4.162 20 5 HIBDRN CCOc1ccc(-c2nc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 ZINC000016515889 846181002 /nfs/dbraw/zinc/18/10/02/846181002.db2.gz XEUMEVAAIMSPBE-UHFFFAOYSA-N 0 0 424.526 4.439 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000016671757 846196845 /nfs/dbraw/zinc/19/68/45/846196845.db2.gz LBPDEGJSTXTGSY-UHFFFAOYSA-N 0 0 400.239 4.420 20 5 HIBDRN CCC[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000016723553 846201106 /nfs/dbraw/zinc/20/11/06/846201106.db2.gz HZFARXZDPFRINP-YOEHRIQHSA-N 0 0 400.431 4.058 20 5 HIBDRN O=C(COC(=O)c1sc2ccccc2c1Cl)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000016751496 846206414 /nfs/dbraw/zinc/20/64/14/846206414.db2.gz YPCBTWBQUSOEQS-UHFFFAOYSA-N 0 0 416.842 4.209 20 5 HIBDRN NC(=O)c1ccc(COC(=O)c2sc3cc(F)ccc3c2Cl)c([N+](=O)[O-])c1 ZINC000016752828 846206549 /nfs/dbraw/zinc/20/65/49/846206549.db2.gz BTGCXEDOBBMNRL-UHFFFAOYSA-N 0 0 408.794 4.058 20 5 HIBDRN C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)NCc1ccccc1Cl ZINC000016800347 846212285 /nfs/dbraw/zinc/21/22/85/846212285.db2.gz UKBYRGIWIDQESL-NSHDSACASA-N 0 0 418.858 4.325 20 5 HIBDRN Cc1cc(C(=O)OCc2nc3ccccc3c3ccccc23)cc(S(N)(=O)=O)c1C ZINC000017153316 846233756 /nfs/dbraw/zinc/23/37/56/846233756.db2.gz ZGRGEIDHHQGQGL-UHFFFAOYSA-N 0 0 420.490 4.009 20 5 HIBDRN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017279581 846240183 /nfs/dbraw/zinc/24/01/83/846240183.db2.gz AAWZETBLLHPHHC-SECBINFHSA-N 0 0 407.883 4.171 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000017305199 846243500 /nfs/dbraw/zinc/24/35/00/846243500.db2.gz LTMIMDWWKCRSNE-UHFFFAOYSA-N 0 0 406.394 4.197 20 5 HIBDRN Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000017334005 846247470 /nfs/dbraw/zinc/24/74/70/846247470.db2.gz WEJNCDKMSKYIJP-UHFFFAOYSA-N 0 0 416.524 4.398 20 5 HIBDRN CCOc1ccc(C(=O)N2C[C@@H](C)Oc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000436344173 861656753 /nfs/dbraw/zinc/65/67/53/861656753.db2.gz OBAIXUKHJXHEIP-LLVKDONJSA-N 0 0 421.247 4.184 20 5 HIBDRN C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017652632 846262003 /nfs/dbraw/zinc/26/20/03/846262003.db2.gz MANYNGQXUFVVHT-MRVPVSSYSA-N 0 0 409.185 4.265 20 5 HIBDRN C[C@@H](Oc1cccc(Cl)c1)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017747871 846268675 /nfs/dbraw/zinc/26/86/75/846268675.db2.gz YJBXYNBKMRRKIM-VXGBXAGGSA-N 0 0 417.805 4.370 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017828234 846271093 /nfs/dbraw/zinc/27/10/93/846271093.db2.gz KHWUQGQRXKRFRX-CYBMUJFWSA-N 0 0 411.439 4.211 20 5 HIBDRN Cc1cccc(-n2nnnc2S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C ZINC000017890065 846274957 /nfs/dbraw/zinc/27/49/57/846274957.db2.gz VJCILEVEYOVSJI-ZDUSSCGKSA-N 0 0 423.458 4.091 20 5 HIBDRN Cc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000017939450 846278929 /nfs/dbraw/zinc/27/89/29/846278929.db2.gz VRUYNDKRUXVCLG-ZDUSSCGKSA-N 0 0 411.439 4.211 20 5 HIBDRN Cc1ccc(-c2nc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cs2)cc1 ZINC000017939813 846278979 /nfs/dbraw/zinc/27/89/79/846278979.db2.gz DWTOKKWNUGNMGR-UHFFFAOYSA-N 0 0 412.423 4.250 20 5 HIBDRN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)c1 ZINC000017962269 846281204 /nfs/dbraw/zinc/28/12/04/846281204.db2.gz YHDDOJSPMNPTGQ-UHFFFAOYSA-N 0 0 411.483 4.445 20 5 HIBDRN COc1ccc2cc(/C=C/C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000018019628 846285909 /nfs/dbraw/zinc/28/59/09/846285909.db2.gz UGBHCUFBFGEZLA-INDWDQIESA-N 0 0 420.421 4.340 20 5 HIBDRN Cc1c(CC(=O)N2C[C@H](C)Oc3ccc(Br)cc32)cccc1[N+](=O)[O-] ZINC000436346363 861660288 /nfs/dbraw/zinc/66/02/88/861660288.db2.gz RWFDJKZYMYYLRA-NSHDSACASA-N 0 0 405.248 4.022 20 5 HIBDRN O=C(NCc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000018062660 846289909 /nfs/dbraw/zinc/28/99/09/846289909.db2.gz RCUNILHYPYBGNQ-UHFFFAOYSA-N 0 0 407.392 4.146 20 5 HIBDRN CCN(Cc1cccc(F)c1)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000018150843 846303284 /nfs/dbraw/zinc/30/32/84/846303284.db2.gz ALLTVIKLEKEWTH-UHFFFAOYSA-N 0 0 410.449 4.258 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)cc1OC ZINC000018347987 846321913 /nfs/dbraw/zinc/32/19/13/846321913.db2.gz OUWAWMOBFLYETA-NSHDSACASA-N 0 0 407.806 4.084 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)OCC(=O)c2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000018456607 846327622 /nfs/dbraw/zinc/32/76/22/846327622.db2.gz AIJHQNCOXNAFHS-UHFFFAOYSA-N 0 0 424.453 4.059 20 5 HIBDRN CCn1c(S[C@@H](C)C(=O)NCc2cccs2)nc2cc3ccccc3cc2c1=O ZINC000018467560 846328282 /nfs/dbraw/zinc/32/82/82/846328282.db2.gz RMWRIJCGPBFMEO-AWEZNQCLSA-N 0 0 423.563 4.428 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3cc(F)ccc3s2)c([N+](=O)[O-])c1 ZINC000018590636 846333389 /nfs/dbraw/zinc/33/33/89/846333389.db2.gz QLBLYBXHEJVTBB-SNVBAGLBSA-N 0 0 418.402 4.141 20 5 HIBDRN CCNc1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000018663176 846335308 /nfs/dbraw/zinc/33/53/08/846335308.db2.gz MOUPVASJXNHNPS-ZETCQYMHSA-N 0 0 421.426 4.016 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000018656381 846335838 /nfs/dbraw/zinc/33/58/38/846335838.db2.gz JTIRGHWXIHQZDO-UHFFFAOYSA-N 0 0 414.361 4.311 20 5 HIBDRN COc1ccc(C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC000018704816 846337810 /nfs/dbraw/zinc/33/78/10/846337810.db2.gz IPERCQDWJOXQDM-OAQYLSRUSA-N 0 0 406.438 4.326 20 5 HIBDRN C[C@H](OC(=O)c1cc(Cl)ccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000018799254 846342668 /nfs/dbraw/zinc/34/26/68/846342668.db2.gz RDQZZKBMWNJUGW-QMMMGPOBSA-N 0 0 401.177 4.225 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc3ccccc3c2)cc1OC ZINC000018969128 846350741 /nfs/dbraw/zinc/35/07/41/846350741.db2.gz UJCNDPBTOQASRO-UHFFFAOYSA-N 0 0 409.394 4.195 20 5 HIBDRN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000020674835 846387860 /nfs/dbraw/zinc/38/78/60/846387860.db2.gz KYIXJPWBEVDUKF-UHFFFAOYSA-N 0 0 416.393 4.162 20 5 HIBDRN CCC[C@H](CNC(=O)COc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000021249930 846420905 /nfs/dbraw/zinc/42/09/05/846420905.db2.gz SYYWRPLCRWSBKM-GFCCVEGCSA-N 0 0 412.273 4.376 20 5 HIBDRN C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000021347691 846433060 /nfs/dbraw/zinc/43/30/60/846433060.db2.gz SFOINUKSZQFZNR-BREXMAIKSA-N 0 0 414.361 4.259 20 5 HIBDRN COc1ccc(NC(=O)CSc2nccn2-c2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000021649007 846477943 /nfs/dbraw/zinc/47/79/43/846477943.db2.gz KUAIVRBTWBPXFF-UHFFFAOYSA-N 0 0 412.471 4.137 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2csc3c2CC[C@H](C)C3)cccc1[N+](=O)[O-] ZINC000021661114 846478854 /nfs/dbraw/zinc/47/88/54/846478854.db2.gz CPLSRQDFUMAAPP-AAEUAGOBSA-N 0 0 402.472 4.274 20 5 HIBDRN C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021682326 846482607 /nfs/dbraw/zinc/48/26/07/846482607.db2.gz VHJSYMCTHGECSN-SECBINFHSA-N 0 0 417.447 4.111 20 5 HIBDRN Cc1ccc(C(C)C)c(OCC(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000021679774 846482631 /nfs/dbraw/zinc/48/26/31/846482631.db2.gz TXUDGVGIRFKJKV-AWEZNQCLSA-N 0 0 418.421 4.115 20 5 HIBDRN O=C1OCC[C@H]1Sc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000021971175 846515680 /nfs/dbraw/zinc/51/56/80/846515680.db2.gz ULEYOANTWLOTJK-OAHLLOKOSA-N 0 0 423.372 4.360 20 5 HIBDRN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(OC)c(O)cc2[N+](=O)[O-])cc1 ZINC000022018240 846521280 /nfs/dbraw/zinc/52/12/80/846521280.db2.gz JYNILCFHAWBWRS-NRFANRHFSA-N 0 0 421.409 4.089 20 5 HIBDRN O=C(COC(=O)CSc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000022040317 846524431 /nfs/dbraw/zinc/52/44/31/846524431.db2.gz IEGGUYCQYRBKSJ-UHFFFAOYSA-N 0 0 415.254 4.176 20 5 HIBDRN C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)c1ccc(Cl)cc1 ZINC000022099323 846530806 /nfs/dbraw/zinc/53/08/06/846530806.db2.gz BZATVQSPSJMDDE-AWEZNQCLSA-N 0 0 416.861 4.279 20 5 HIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000022161754 846538618 /nfs/dbraw/zinc/53/86/18/846538618.db2.gz QGONXMFAASRWML-HNNXBMFYSA-N 0 0 416.499 4.299 20 5 HIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000022162458 846539046 /nfs/dbraw/zinc/53/90/46/846539046.db2.gz VPKINVCUTGGKKC-OCCSQVGLSA-N 0 0 420.512 4.287 20 5 HIBDRN CC[C@H]1CCCCN1C(=O)CSc1nc2cc3ccccc3cc2c(=O)n1CC ZINC000022177757 846540744 /nfs/dbraw/zinc/54/07/44/846540744.db2.gz PDAAOBIGOJBHDU-SFHVURJKSA-N 0 0 409.555 4.453 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000022188083 846542703 /nfs/dbraw/zinc/54/27/03/846542703.db2.gz NWURFGSPSMGKFZ-HNNXBMFYSA-N 0 0 422.384 4.009 20 5 HIBDRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000022243564 846548808 /nfs/dbraw/zinc/54/88/08/846548808.db2.gz QBLMDOOVJVVQIY-LBPRGKRZSA-N 0 0 417.849 4.315 20 5 HIBDRN CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C ZINC000022253670 846551289 /nfs/dbraw/zinc/55/12/89/846551289.db2.gz ODCKNEIDVIIONT-MAUKXSAKSA-N 0 0 409.555 4.358 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc2ccccc2o1 ZINC000022496256 846579150 /nfs/dbraw/zinc/57/91/50/846579150.db2.gz GNONUHKBZKPEJF-RYUDHWBXSA-N 0 0 416.817 4.417 20 5 HIBDRN CC[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000022495230 846579559 /nfs/dbraw/zinc/57/95/59/846579559.db2.gz FKRBMXGSHGUZHY-INIZCTEOSA-N 0 0 411.241 4.326 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000022547678 846584452 /nfs/dbraw/zinc/58/44/52/846584452.db2.gz OMAITTXYAGBJDA-MNOVXSKESA-N 0 0 411.241 4.324 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000022547676 846584577 /nfs/dbraw/zinc/58/45/77/846584577.db2.gz OMAITTXYAGBJDA-WDEREUQCSA-N 0 0 411.241 4.324 20 5 HIBDRN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000022550793 846585960 /nfs/dbraw/zinc/58/59/60/846585960.db2.gz WHJCNNUAWCINBR-MRZGDXHCSA-N 0 0 402.834 4.449 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000022555839 846586802 /nfs/dbraw/zinc/58/68/02/846586802.db2.gz WBQFCOBDFXCRDL-UHFFFAOYSA-N 0 0 406.398 4.256 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)Cc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] ZINC000022764270 846617087 /nfs/dbraw/zinc/61/70/87/846617087.db2.gz VEROGVNWBQYCNN-NSHDSACASA-N 0 0 411.241 4.323 20 5 HIBDRN O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(Oc3ncccc3[N+](=O)[O-])cc2o1 ZINC000022801211 846623083 /nfs/dbraw/zinc/62/30/83/846623083.db2.gz QBOYSKAYSPNHKE-UHFFFAOYSA-N 0 0 405.322 4.464 20 5 HIBDRN Cc1cc(C(=O)[C@@H](C)OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccco1 ZINC000022836080 846627450 /nfs/dbraw/zinc/62/74/50/846627450.db2.gz PDXCCZLGCHJZRV-VGMNTSGFSA-N 0 0 422.437 4.482 20 5 HIBDRN Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1Cc1ccco1 ZINC000022841070 846628309 /nfs/dbraw/zinc/62/83/09/846628309.db2.gz DBIRPNWLRRFEHK-MRXNPFEDSA-N 0 0 410.426 4.391 20 5 HIBDRN Cc1c(C(=O)O[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000022911350 846636456 /nfs/dbraw/zinc/63/64/56/846636456.db2.gz XXKZRAHBYUUXRN-HZPDHXFCSA-N 0 0 406.438 4.479 20 5 HIBDRN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1C ZINC000022910689 846636461 /nfs/dbraw/zinc/63/64/61/846636461.db2.gz SQUOFBCMXQPBOI-CYBMUJFWSA-N 0 0 410.382 4.036 20 5 HIBDRN Cc1ccc(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cn1 ZINC000023442389 846702652 /nfs/dbraw/zinc/70/26/52/846702652.db2.gz MYFRIZMWCOVBGM-UHFFFAOYSA-N 0 0 411.801 4.423 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cccc1[N+](=O)[O-] ZINC000023493206 846708537 /nfs/dbraw/zinc/70/85/37/846708537.db2.gz APUOEPFVMANNAL-CQSZACIVSA-N 0 0 421.453 4.447 20 5 HIBDRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(SC(F)F)cc1 ZINC000023513439 846712782 /nfs/dbraw/zinc/71/27/82/846712782.db2.gz YVTQESULVHSTRP-UHFFFAOYSA-N 0 0 416.789 4.358 20 5 HIBDRN Cc1ccc(Cn2c(=O)c3ccccc3nc2Sc2ccc([N+](=O)[O-])cn2)cc1 ZINC000023606211 846728263 /nfs/dbraw/zinc/72/82/63/846728263.db2.gz BVFROAKLQFSUHC-UHFFFAOYSA-N 0 0 404.451 4.208 20 5 HIBDRN CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000023632363 846732729 /nfs/dbraw/zinc/73/27/29/846732729.db2.gz HQKODVOSRFIPRH-HSZRJFAPSA-N 0 0 422.412 4.173 20 5 HIBDRN COc1ccc(F)cc1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000023697912 846742376 /nfs/dbraw/zinc/74/23/76/846742376.db2.gz DZRJGBVFXUOEFO-UHFFFAOYSA-N 0 0 410.357 4.214 20 5 HIBDRN Cc1ccc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] ZINC000023920479 846758749 /nfs/dbraw/zinc/75/87/49/846758749.db2.gz LGEVYRIBISJYGI-HNNXBMFYSA-N 0 0 410.499 4.032 20 5 HIBDRN COc1cccc([C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2nccn2C)c1 ZINC000024019900 846775970 /nfs/dbraw/zinc/77/59/70/846775970.db2.gz JLLSBZBTSRNYQY-LJQANCHMSA-N 0 0 422.466 4.071 20 5 HIBDRN CCOc1cc2c(cc1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000024081277 846786331 /nfs/dbraw/zinc/78/63/31/846786331.db2.gz OYGCNTGRCIGCLA-UONOGXRCSA-N 0 0 416.499 4.114 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)CSc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000024124507 846793133 /nfs/dbraw/zinc/79/31/33/846793133.db2.gz ANOVWLSOZSZIMG-GFCCVEGCSA-N 0 0 408.863 4.219 20 5 HIBDRN COC(=O)c1cc(CN(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)oc1C ZINC000024281291 846808926 /nfs/dbraw/zinc/80/89/26/846808926.db2.gz MMSNPRRQJKEKQX-UHFFFAOYSA-N 0 0 423.425 4.299 20 5 HIBDRN Cc1cccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000024366185 846818474 /nfs/dbraw/zinc/81/84/74/846818474.db2.gz ABVFBXIYEOFUHS-UHFFFAOYSA-N 0 0 408.380 4.276 20 5 HIBDRN Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 ZINC000024372145 846819293 /nfs/dbraw/zinc/81/92/93/846819293.db2.gz DYJNMXIJUZKRRM-UHFFFAOYSA-N 0 0 403.438 4.453 20 5 HIBDRN Cc1cc(COC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)on1 ZINC000024419900 846822221 /nfs/dbraw/zinc/82/22/21/846822221.db2.gz HPNJRDZRQNQCQB-UHFFFAOYSA-N 0 0 424.438 4.066 20 5 HIBDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Cl ZINC000024483594 846830796 /nfs/dbraw/zinc/83/07/96/846830796.db2.gz UQAQLDXFRBYRAV-UHFFFAOYSA-N 0 0 421.841 4.007 20 5 HIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)OCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000024536696 846835461 /nfs/dbraw/zinc/83/54/61/846835461.db2.gz CYEASJKKHGCHAE-UHFFFAOYSA-N 0 0 402.410 4.143 20 5 HIBDRN COc1cc(CN(C)c2cc(C(F)(F)F)ncc2[N+](=O)[O-])c(SC)cc1OC ZINC000436382789 861725609 /nfs/dbraw/zinc/72/56/09/861725609.db2.gz CNHGOYSORLMKQU-UHFFFAOYSA-N 0 0 417.409 4.384 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000436382418 861723922 /nfs/dbraw/zinc/72/39/22/861723922.db2.gz ACKKWUAHZDJDMO-UHFFFAOYSA-N 0 0 413.743 4.367 20 5 HIBDRN Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1-c1ccc(Br)cc1 ZINC000024749877 846863226 /nfs/dbraw/zinc/86/32/26/846863226.db2.gz BEEGNKNSSXXCBS-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000436391781 861735413 /nfs/dbraw/zinc/73/54/13/861735413.db2.gz QUNVQKYWCURJPE-MRVPVSSYSA-N 0 0 409.290 4.135 20 5 HIBDRN CCn1cnnc1-c1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000025283000 846952370 /nfs/dbraw/zinc/95/23/70/846952370.db2.gz JPMLZMNNKGHVJO-UHFFFAOYSA-N 0 0 423.476 4.072 20 5 HIBDRN CCOc1ccc(C(=O)OCC(=O)N[C@H](CC)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000025386762 846971480 /nfs/dbraw/zinc/97/14/80/846971480.db2.gz NFHMACZSGBXHSV-MRXNPFEDSA-N 0 0 420.849 4.071 20 5 HIBDRN Cc1cccc(C(=O)OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1[N+](=O)[O-] ZINC000025434458 846976498 /nfs/dbraw/zinc/97/64/98/846976498.db2.gz GVTZNJNQBVOLHP-UHFFFAOYSA-N 0 0 407.304 4.329 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2Cl)N2CCOCC2)c2ccncc21 ZINC000025495187 846988017 /nfs/dbraw/zinc/98/80/17/846988017.db2.gz UELJWMAICXSHML-OAQYLSRUSA-N 0 0 412.877 4.282 20 5 HIBDRN COc1cc(C(=O)N2CCC(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000025521004 846991367 /nfs/dbraw/zinc/99/13/67/846991367.db2.gz JOAHGIXMXUCCIM-UHFFFAOYSA-N 0 0 406.385 4.225 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000025615040 847006936 /nfs/dbraw/zinc/00/69/36/847006936.db2.gz KSDKVGZGIQTQHM-KDOFPFPSSA-N 0 0 416.499 4.456 20 5 HIBDRN CC(=O)N1CCN(c2cccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)c2)CC1 ZINC000436398673 861743195 /nfs/dbraw/zinc/74/31/95/861743195.db2.gz ADSJOPMVGXYOFI-UHFFFAOYSA-N 0 0 420.469 4.135 20 5 HIBDRN O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000025659962 847015783 /nfs/dbraw/zinc/01/57/83/847015783.db2.gz NXZWSRUVFSGGJG-UHFFFAOYSA-N 0 0 417.469 4.454 20 5 HIBDRN Cc1cccc(COc2cccc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])c2)c1 ZINC000025780704 847035756 /nfs/dbraw/zinc/03/57/56/847035756.db2.gz FYMVNAGSLRXZDG-UHFFFAOYSA-N 0 0 420.421 4.278 20 5 HIBDRN COc1ccc(-c2nc(C(=O)OCc3cccc([N+](=O)[O-])c3)cs2)cc1OC ZINC000025840172 847044600 /nfs/dbraw/zinc/04/46/00/847044600.db2.gz BUZYWPMFPVKMTL-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1C ZINC000025849743 847045787 /nfs/dbraw/zinc/04/57/87/847045787.db2.gz INRILYNJJKFZOB-UHFFFAOYSA-N 0 0 421.457 4.149 20 5 HIBDRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000025854603 847046889 /nfs/dbraw/zinc/04/68/89/847046889.db2.gz GKQIAVDQYAPFMX-UHFFFAOYSA-N 0 0 405.458 4.449 20 5 HIBDRN CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc2cccc(Cl)c2s1 ZINC000436400703 861748327 /nfs/dbraw/zinc/74/83/27/861748327.db2.gz PUCAEQDFDNJOOL-UHFFFAOYSA-N 0 0 413.846 4.320 20 5 HIBDRN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000026033993 847074115 /nfs/dbraw/zinc/07/41/15/847074115.db2.gz JETKRDWOSGVHHV-UHFFFAOYSA-N 0 0 403.866 4.256 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000026115481 847089064 /nfs/dbraw/zinc/08/90/64/847089064.db2.gz QEEHAWDBNHLRKE-ZDUSSCGKSA-N 0 0 411.439 4.211 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000026122014 847091722 /nfs/dbraw/zinc/09/17/22/847091722.db2.gz WKCZGAPLQXINIC-GFCCVEGCSA-N 0 0 406.822 4.058 20 5 HIBDRN CCn1c2ccccc2nc1SCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000026224318 847106279 /nfs/dbraw/zinc/10/62/79/847106279.db2.gz XZSDPFOGELMMGY-UHFFFAOYSA-N 0 0 400.460 4.094 20 5 HIBDRN Cn1c(SCCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000026234652 847108586 /nfs/dbraw/zinc/10/85/86/847108586.db2.gz FBVGSBYLFOHZNN-UHFFFAOYSA-N 0 0 417.878 4.165 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000436405972 861754500 /nfs/dbraw/zinc/75/45/00/861754500.db2.gz FQWBFWMCTODDOV-UHFFFAOYSA-N 0 0 408.461 4.247 20 5 HIBDRN COCCn1c2ccccc2nc1SCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000026249314 847112314 /nfs/dbraw/zinc/11/23/14/847112314.db2.gz WVUXNLDRBPJPPN-UHFFFAOYSA-N 0 0 414.487 4.020 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000026359789 847133602 /nfs/dbraw/zinc/13/36/02/847133602.db2.gz HVCHSZGXBSSMNT-AWEZNQCLSA-N 0 0 407.392 4.133 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2ccccc2F)o1 ZINC000026369996 847134985 /nfs/dbraw/zinc/13/49/85/847134985.db2.gz IKAILDIBWMBFBP-UHFFFAOYSA-N 0 0 402.407 4.213 20 5 HIBDRN C[C@@H](Sc1ncc2ccccn21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000026372395 847136405 /nfs/dbraw/zinc/13/64/05/847136405.db2.gz HKWLOOBTMJBJNZ-SNVBAGLBSA-N 0 0 410.377 4.381 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(NCc2ccco2)s1 ZINC000026411209 847141310 /nfs/dbraw/zinc/14/13/10/847141310.db2.gz KNHTYVYNWMMJCB-UHFFFAOYSA-N 0 0 419.488 4.081 20 5 HIBDRN CCOc1cc(CN(C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000026454305 847151550 /nfs/dbraw/zinc/15/15/50/847151550.db2.gz LDSYCVCBKUFYAG-CYBMUJFWSA-N 0 0 423.416 4.054 20 5 HIBDRN C[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000026477174 847156001 /nfs/dbraw/zinc/15/60/01/847156001.db2.gz JSYCAWGZGVGOFO-SSDOTTSWSA-N 0 0 406.773 4.176 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ncn(Cc4cccc(F)c4)n3)s2)cc1 ZINC000436411025 861761288 /nfs/dbraw/zinc/76/12/88/861761288.db2.gz PGGBDWCQFZQCMU-UHFFFAOYSA-N 0 0 423.473 4.392 20 5 HIBDRN O=[N+]([O-])c1c(N2CCc3[nH]c4ccc(Br)cc4c3C2)nc2sccn21 ZINC000026728293 847190963 /nfs/dbraw/zinc/19/09/63/847190963.db2.gz ASBRYHNPGKYMDY-UHFFFAOYSA-N 0 0 418.276 4.111 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000026823257 847203030 /nfs/dbraw/zinc/20/30/30/847203030.db2.gz CUJKNAFFFXAGGP-IBGZPJMESA-N 0 0 413.474 4.168 20 5 HIBDRN COc1cc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000026905739 847220041 /nfs/dbraw/zinc/22/00/41/847220041.db2.gz JDAIEXCZNWSJRM-IBGZPJMESA-N 0 0 406.438 4.326 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000026954262 847226342 /nfs/dbraw/zinc/22/63/42/847226342.db2.gz YCZGFPJPAWGYQG-UHFFFAOYSA-N 0 0 414.336 4.196 20 5 HIBDRN O=C(CSc1ncnc2ccsc21)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000026953167 847226931 /nfs/dbraw/zinc/22/69/31/847226931.db2.gz RKFCLUWKBKKLOH-UHFFFAOYSA-N 0 0 414.390 4.349 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000027006983 847233980 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4.236 20 5 HIBDRN Cc1ccnc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000027646882 847331746 /nfs/dbraw/zinc/33/17/46/847331746.db2.gz NZRPUIUUYLYCDC-UHFFFAOYSA-N 0 0 408.380 4.172 20 5 HIBDRN CCCOc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OCCC ZINC000027803563 847352593 /nfs/dbraw/zinc/35/25/93/847352593.db2.gz SHRAWHIIXUYIEU-UHFFFAOYSA-N 0 0 402.403 4.153 20 5 HIBDRN O=C(COC(=O)CCc1ccc(-c2ccccc2F)o1)Nc1ccccc1[N+](=O)[O-] ZINC000027814645 847353374 /nfs/dbraw/zinc/35/33/74/847353374.db2.gz AHZLMENAOJLDKF-UHFFFAOYSA-N 0 0 412.373 4.108 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000436423768 861782408 /nfs/dbraw/zinc/78/24/08/861782408.db2.gz WBNJWMTUQWCGDZ-UHFFFAOYSA-N 0 0 407.348 4.074 20 5 HIBDRN O=C1CCc2cc(Nc3ncc([N+](=O)[O-])cc3Cl)ccc2N1CC(F)(F)F ZINC000436424762 861783261 /nfs/dbraw/zinc/78/32/61/861783261.db2.gz IKVHFRSWZWLXAA-UHFFFAOYSA-N 0 0 400.744 4.228 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000028041110 847377848 /nfs/dbraw/zinc/37/78/48/847377848.db2.gz ITUOALPGHLRNRW-UHFFFAOYSA-N 0 0 414.405 4.275 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)cc1OC ZINC000028174695 847391273 /nfs/dbraw/zinc/39/12/73/847391273.db2.gz JUIJWDLDZAFTMY-UHFFFAOYSA-N 0 0 416.361 4.153 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)cc1OC ZINC000028250649 847399607 /nfs/dbraw/zinc/39/96/07/847399607.db2.gz DERKZRLXRZTFHF-HXUWFJFHSA-N 0 0 402.447 4.138 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccccc2C)c1 ZINC000028400732 847416071 /nfs/dbraw/zinc/41/60/71/847416071.db2.gz OIOQZQLQUATSOI-ZIAGYGMSSA-N 0 0 402.472 4.048 20 5 HIBDRN CC[C@@H](NC(=O)COC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000028400361 847416164 /nfs/dbraw/zinc/41/61/64/847416164.db2.gz ALIMLNVDLYVLMW-MRXNPFEDSA-N 0 0 422.890 4.394 20 5 HIBDRN Cc1ccc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1S(C)(=O)=O ZINC000436428335 861788934 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MYNSGYGSUOSEMU-VIFPVBQESA-N 0 0 414.748 4.034 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000028940594 847482372 /nfs/dbraw/zinc/48/23/72/847482372.db2.gz XTQCAQGTQUSDHK-FQEVSTJZSA-N 0 0 421.478 4.187 20 5 HIBDRN Cc1noc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 ZINC000029135652 847511314 /nfs/dbraw/zinc/51/13/14/847511314.db2.gz LTWCCGSKBIDJEZ-UHFFFAOYSA-N 0 0 405.819 4.448 20 5 HIBDRN CC(C)CCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000029140218 847512161 /nfs/dbraw/zinc/51/21/61/847512161.db2.gz CKPDBCNCVOVMSM-UHFFFAOYSA-N 0 0 401.429 4.382 20 5 HIBDRN O=[N+]([O-])c1c(Sc2nnc(-c3ccc(Br)cc3)o2)nc2ccccn21 ZINC000029165665 847518006 /nfs/dbraw/zinc/51/80/06/847518006.db2.gz YERASNKZMNMZED-UHFFFAOYSA-N 0 0 418.232 4.206 20 5 HIBDRN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000029364269 847551856 /nfs/dbraw/zinc/55/18/56/847551856.db2.gz SYQCUEZYZFPSKF-ZDUSSCGKSA-N 0 0 408.285 4.421 20 5 HIBDRN 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ZINC000030307048 847699701 /nfs/dbraw/zinc/69/97/01/847699701.db2.gz FXZYYATXFDLWBO-UHFFFAOYSA-N 0 0 413.817 4.374 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000030313576 847701087 /nfs/dbraw/zinc/70/10/87/847701087.db2.gz ZDGVYKNFSKTXPZ-UHFFFAOYSA-N 0 0 400.378 4.488 20 5 HIBDRN C[C@@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000030369246 847707512 /nfs/dbraw/zinc/70/75/12/847707512.db2.gz NOJGEROZNBOUKM-IAQYHMDHSA-N 0 0 410.879 4.318 20 5 HIBDRN CCOc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000030420686 847713744 /nfs/dbraw/zinc/71/37/44/847713744.db2.gz KJYUJDBTBJAWHW-OAQYLSRUSA-N 0 0 412.467 4.061 20 5 HIBDRN CCOc1ccc([C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000030420661 847713879 /nfs/dbraw/zinc/71/38/79/847713879.db2.gz VKDUIMCZCAWBOG-OAQYLSRUSA-N 0 0 412.467 4.061 20 5 HIBDRN CNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 ZINC000030452364 847717327 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848060343 /nfs/dbraw/zinc/06/03/43/848060343.db2.gz NXRFJKBEEVKFNE-UHFFFAOYSA-N 0 0 422.437 4.377 20 5 HIBDRN Cc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc(C)c1OCc1cccnc1 ZINC000032654636 848060666 /nfs/dbraw/zinc/06/06/66/848060666.db2.gz IFKWPAKQYPXWSY-UHFFFAOYSA-N 0 0 405.454 4.458 20 5 HIBDRN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033154575 848115087 /nfs/dbraw/zinc/11/50/87/848115087.db2.gz GUBVCUDKWHWSKR-UHFFFAOYSA-N 0 0 416.441 4.109 20 5 HIBDRN O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000033197251 848124551 /nfs/dbraw/zinc/12/45/51/848124551.db2.gz IYBWEJPGZUCCDL-HTQZYQBOSA-N 0 0 424.301 4.110 20 5 HIBDRN CCOc1ccc([C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OCC ZINC000033239335 848132546 /nfs/dbraw/zinc/13/25/46/848132546.db2.gz LFDGADRHKZHSAB-JOCHJYFZSA-N 0 0 400.475 4.448 20 5 HIBDRN CCCCN(CCCC)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000037286161 848173158 /nfs/dbraw/zinc/17/31/58/848173158.db2.gz 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O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000046744017 848924404 /nfs/dbraw/zinc/92/44/04/848924404.db2.gz VZDOJXREJHXIOG-UHFFFAOYSA-N 0 0 424.420 4.372 20 5 HIBDRN CCOc1cc(C(=O)Nc2nc3c(s2)C[C@@H](CC)CC3)c([N+](=O)[O-])cc1OC ZINC000046784059 848934263 /nfs/dbraw/zinc/93/42/63/848934263.db2.gz LLLWWHNPZAOANA-NSHDSACASA-N 0 0 405.476 4.226 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000046893141 848954314 /nfs/dbraw/zinc/95/43/14/848954314.db2.gz PQYPCYOFOYNDNQ-SNVBAGLBSA-N 0 0 401.366 4.050 20 5 HIBDRN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000046917310 848959633 /nfs/dbraw/zinc/95/96/33/848959633.db2.gz PSNSWKDNAXPENP-UHFFFAOYSA-N 0 0 420.425 4.464 20 5 HIBDRN CCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1[N+](=O)[O-] ZINC000046930917 848962511 /nfs/dbraw/zinc/96/25/11/848962511.db2.gz ILJVKJWTTOGYPV-UHFFFAOYSA-N 0 0 416.484 4.390 20 5 HIBDRN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2csc(C3CCCCC3)n2)C1=O 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ZINC000058949870 850965843 /nfs/dbraw/zinc/96/58/43/850965843.db2.gz PWLKBXMDIXVXOG-UHFFFAOYSA-N 0 0 424.501 4.223 20 5 HIBDRN CCn1c(SCCOc2cccc([N+](=O)[O-])c2)nc2sc(C)c(C)c2c1=O ZINC000059122004 850985769 /nfs/dbraw/zinc/98/57/69/850985769.db2.gz BJUUZQKQTAIXBO-UHFFFAOYSA-N 0 0 405.501 4.174 20 5 HIBDRN COc1ccc(Nc2nnc(SCCOc3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000059123495 850986930 /nfs/dbraw/zinc/98/69/30/850986930.db2.gz PGYQLWVEKSXDHV-UHFFFAOYSA-N 0 0 404.473 4.370 20 5 HIBDRN O=C(NCc1ccccc1)c1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000059288947 850992423 /nfs/dbraw/zinc/99/24/23/850992423.db2.gz QWZYQTRJZOYMED-UHFFFAOYSA-N 0 0 409.829 4.431 20 5 HIBDRN O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000059829665 851017005 /nfs/dbraw/zinc/01/70/05/851017005.db2.gz VMFKTKURQJUPJF-UHFFFAOYSA-N 0 0 419.268 4.345 20 5 HIBDRN O=C(Nc1cccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000060066324 851037649 /nfs/dbraw/zinc/03/76/49/851037649.db2.gz VTKCFVMCTXERCW-QGZVFWFLSA-N 0 0 409.364 4.343 20 5 HIBDRN O=[N+]([O-])c1cnccc1N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000060342892 851069916 /nfs/dbraw/zinc/06/99/16/851069916.db2.gz FGDVILYDJIEBEZ-UHFFFAOYSA-N 0 0 410.424 4.180 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCN(Cc2cccc(O)c2)CC1 ZINC000060349574 851072184 /nfs/dbraw/zinc/07/21/84/851072184.db2.gz PAKINGPMHLRVKW-UHFFFAOYSA-N 0 0 415.799 4.295 20 5 HIBDRN CCOc1ccc([C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000060364177 851078640 /nfs/dbraw/zinc/07/86/40/851078640.db2.gz KOMSBDXZHMXMHK-JOCHJYFZSA-N 0 0 422.485 4.103 20 5 HIBDRN O=C(NCc1ccccc1N1CCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000060408678 851089205 /nfs/dbraw/zinc/08/92/05/851089205.db2.gz COIGEPFFSZKZQG-UHFFFAOYSA-N 0 0 423.391 4.066 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(O)cc1 ZINC000060481693 851114067 /nfs/dbraw/zinc/11/40/67/851114067.db2.gz BPCNTKAGQHWPON-UHFFFAOYSA-N 0 0 414.421 4.334 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483635 851114985 /nfs/dbraw/zinc/11/49/85/851114985.db2.gz OTDZHDMNCBOPHO-UHFFFAOYSA-N 0 0 415.877 4.090 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000060639442 851174659 /nfs/dbraw/zinc/17/46/59/851174659.db2.gz RGRAZLHTHMVTDV-NRFANRHFSA-N 0 0 421.409 4.339 20 5 HIBDRN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000060639356 851175076 /nfs/dbraw/zinc/17/50/76/851175076.db2.gz ARASYQNCHXJUOY-UHFFFAOYSA-N 0 0 423.859 4.457 20 5 HIBDRN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000060641859 851175767 /nfs/dbraw/zinc/17/57/67/851175767.db2.gz QBWJAULEDMXUNY-UHFFFAOYSA-N 0 0 416.393 4.162 20 5 HIBDRN Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000060780871 851212294 /nfs/dbraw/zinc/21/22/94/851212294.db2.gz UBBBGGJBLBFHIN-UHFFFAOYSA-N 0 0 413.437 4.331 20 5 HIBDRN COc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000060816971 851219295 /nfs/dbraw/zinc/21/92/95/851219295.db2.gz WWCUPALLMRFHEU-UHFFFAOYSA-N 0 0 416.430 4.138 20 5 HIBDRN Cc1c(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000060815500 851219389 /nfs/dbraw/zinc/21/93/89/851219389.db2.gz DGCPPFJQPUXIHT-XMMPIXPASA-N 0 0 415.449 4.093 20 5 HIBDRN CC(C)c1ccc(-c2noc(Cn3nc(-c4cccc([N+](=O)[O-])c4)ccc3=O)n2)cc1 ZINC000060826187 851224205 /nfs/dbraw/zinc/22/42/05/851224205.db2.gz MVQSUYBWQFYFBA-UHFFFAOYSA-N 0 0 417.425 4.040 20 5 HIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCOc1ccc(Cl)cc1Cl ZINC000060826730 851224269 /nfs/dbraw/zinc/22/42/69/851224269.db2.gz MTTAQKYIMZGNHM-UHFFFAOYSA-N 0 0 406.225 4.204 20 5 HIBDRN COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cc1[N+](=O)[O-] ZINC000060853319 851230319 /nfs/dbraw/zinc/23/03/19/851230319.db2.gz SBGGEZMAUJZGFJ-UHFFFAOYSA-N 0 0 418.471 4.361 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccnn3C3CCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000060952739 851256883 /nfs/dbraw/zinc/25/68/83/851256883.db2.gz IJYWFGRFUGECJL-UHFFFAOYSA-N 0 0 422.489 4.410 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000060961586 851259640 /nfs/dbraw/zinc/25/96/40/851259640.db2.gz RJTDMOSZTBTATA-NSHDSACASA-N 0 0 401.444 4.055 20 5 HIBDRN Cc1nc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)sc1Cc1ccccc1Cl ZINC000061166435 851308801 /nfs/dbraw/zinc/30/88/01/851308801.db2.gz QQGCMEIMIMTFRB-UHFFFAOYSA-N 0 0 419.894 4.138 20 5 HIBDRN CCOc1ccc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000061284490 851337226 /nfs/dbraw/zinc/33/72/26/851337226.db2.gz BFWDYAGIRNREKW-UHFFFAOYSA-N 0 0 416.437 4.262 20 5 HIBDRN COc1ccc(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1[N+](=O)[O-] ZINC000061336390 851350912 /nfs/dbraw/zinc/35/09/12/851350912.db2.gz RVKQZBOFSHMNFF-UHFFFAOYSA-N 0 0 404.422 4.135 20 5 HIBDRN Cc1cc(Cl)c(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl ZINC000437044107 862235431 /nfs/dbraw/zinc/23/54/31/862235431.db2.gz WSVLSCSGTTYQIC-UHFFFAOYSA-N 0 0 422.268 4.340 20 5 HIBDRN CC(C)Cc1nnc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000061432000 851374884 /nfs/dbraw/zinc/37/48/84/851374884.db2.gz YOXIKYPDKMAUKN-UHFFFAOYSA-N 0 0 417.413 4.104 20 5 HIBDRN O=C(NCC1(c2cccc(F)c2)CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000063082309 851612518 /nfs/dbraw/zinc/61/25/18/851612518.db2.gz YAKHZOJCFPFLQI-UHFFFAOYSA-N 0 0 414.433 4.137 20 5 HIBDRN CS(=O)(=O)c1ccc(NCCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000063282455 851649752 /nfs/dbraw/zinc/64/97/52/851649752.db2.gz YIDNWGNEEWZPPT-UHFFFAOYSA-N 0 0 419.286 4.186 20 5 HIBDRN CCOCCOc1c(Cl)cccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000063285180 851651442 /nfs/dbraw/zinc/65/14/42/851651442.db2.gz VJTZKUYWLPZLHH-UHFFFAOYSA-N 0 0 418.837 4.326 20 5 HIBDRN CC(=O)Nc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1Cl ZINC000063334082 851664683 /nfs/dbraw/zinc/66/46/83/851664683.db2.gz PSLRARNPLCFFQI-UHFFFAOYSA-N 0 0 416.865 4.062 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)c1 ZINC000437073449 862269926 /nfs/dbraw/zinc/26/99/26/862269926.db2.gz FWFDVPNFOYXCHP-QGZVFWFLSA-N 0 0 414.462 4.117 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000063431850 851687301 /nfs/dbraw/zinc/68/73/01/851687301.db2.gz PVYJLSVINHBIGY-FQEVSTJZSA-N 0 0 423.856 4.287 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000063471080 851698057 /nfs/dbraw/zinc/69/80/57/851698057.db2.gz FUTHZMXUOVBSEC-UHFFFAOYSA-N 0 0 411.408 4.499 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cnc(C(C)(C)C)nc3)cc2[N+](=O)[O-])C1 ZINC000063819502 851771558 /nfs/dbraw/zinc/77/15/58/851771558.db2.gz VTDIUAPQNADHEH-GASCZTMLSA-N 0 0 411.506 4.417 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cn2cnc3ccccc32)cc1 ZINC000063984873 851810818 /nfs/dbraw/zinc/81/08/18/851810818.db2.gz XALRMHSPUHBFKN-UHFFFAOYSA-N 0 0 402.410 4.010 20 5 HIBDRN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064244992 851856950 /nfs/dbraw/zinc/85/69/50/851856950.db2.gz HJGBHBQAOJHGED-UHFFFAOYSA-N 0 0 404.469 4.060 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)s1 ZINC000064243562 851857012 /nfs/dbraw/zinc/85/70/12/851857012.db2.gz LMJOLILOLYDWEQ-QGZVFWFLSA-N 0 0 408.888 4.378 20 5 HIBDRN COc1cc(OC)c(NC(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Cl ZINC000064350138 851876558 /nfs/dbraw/zinc/87/65/58/851876558.db2.gz ZOYHRWYGQUQKNF-UHFFFAOYSA-N 0 0 421.881 4.115 20 5 HIBDRN O=[N+]([O-])c1cccc([C@H](NCc2ncn(Cc3cccc(F)c3)n2)c2ccccc2)c1 ZINC000437105754 862294014 /nfs/dbraw/zinc/29/40/14/862294014.db2.gz FAVKIJUHRUGNRZ-HSZRJFAPSA-N 0 0 417.444 4.253 20 5 HIBDRN Cc1cc(N2CCCC2)ccc1NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350230 851876863 /nfs/dbraw/zinc/87/68/63/851876863.db2.gz DJWUBQWEJMXBDK-UHFFFAOYSA-N 0 0 410.518 4.353 20 5 HIBDRN CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000064362497 851878886 /nfs/dbraw/zinc/87/88/86/851878886.db2.gz IZMFPMCGINFUIJ-UHFFFAOYSA-N 0 0 412.442 4.227 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000064418907 851893131 /nfs/dbraw/zinc/89/31/31/851893131.db2.gz BONLPDQAVNXKLR-HNNXBMFYSA-N 0 0 418.877 4.223 20 5 HIBDRN O=C(c1cnc(-c2ccc3c(c2)OCO3)s1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437108818 862296399 /nfs/dbraw/zinc/29/63/99/862296399.db2.gz VAACLJCRNOSVKM-UHFFFAOYSA-N 0 0 423.450 4.252 20 5 HIBDRN COc1ccc(Br)cc1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000064550502 851927653 /nfs/dbraw/zinc/92/76/53/851927653.db2.gz IVOLSBHXFWHFAH-UHFFFAOYSA-N 0 0 422.279 4.116 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000064722719 851967660 /nfs/dbraw/zinc/96/76/60/851967660.db2.gz ZULRRIDBYAADTL-CXAGYDPISA-N 0 0 404.850 4.388 20 5 HIBDRN COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000064721974 851967941 /nfs/dbraw/zinc/96/79/41/851967941.db2.gz QFWFIFSGLAAEGM-ZDUSSCGKSA-N 0 0 404.850 4.215 20 5 HIBDRN Cn1cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064766537 851979731 /nfs/dbraw/zinc/97/97/31/851979731.db2.gz PRJUHBQNUSMXJU-UHFFFAOYSA-N 0 0 420.347 4.189 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H](C)OCC1CC1 ZINC000064779362 851982182 /nfs/dbraw/zinc/98/21/82/851982182.db2.gz BSMPOVKOQJCKDK-LBPRGKRZSA-N 0 0 418.471 4.254 20 5 HIBDRN C[C@@H](Sc1ccc(Br)cc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000064779069 851982730 /nfs/dbraw/zinc/98/27/30/851982730.db2.gz QSIGUZBCUAGIRO-GFCCVEGCSA-N 0 0 409.305 4.197 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000064781157 851983177 /nfs/dbraw/zinc/98/31/77/851983177.db2.gz GSGCPOAMWWDGCS-SFHVURJKSA-N 0 0 403.847 4.124 20 5 HIBDRN O=C(CCSc1ccc(Br)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000064803780 851987394 /nfs/dbraw/zinc/98/73/94/851987394.db2.gz JSMLRYGZHUQBQP-UHFFFAOYSA-N 0 0 407.289 4.429 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000064806909 851988146 /nfs/dbraw/zinc/98/81/46/851988146.db2.gz GITJHGLZMIWYRD-NSHDSACASA-N 0 0 421.240 4.493 20 5 HIBDRN CCCn1c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc21 ZINC000064868792 852009686 /nfs/dbraw/zinc/00/96/86/852009686.db2.gz NORAZFQVXPTPFB-UHFFFAOYSA-N 0 0 407.455 4.730 20 5 HIBDRN Cc1cccc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1[N+](=O)[O-] ZINC000064902150 852016175 /nfs/dbraw/zinc/01/61/75/852016175.db2.gz VLRMHEGRGXEJFH-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN O=C(NCc1cccnc1OC1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064916629 852020824 /nfs/dbraw/zinc/02/08/24/852020824.db2.gz KEACCOUVZFSTSX-UHFFFAOYSA-N 0 0 424.482 4.365 20 5 HIBDRN O=C(NCCCOCCc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064933416 852023585 /nfs/dbraw/zinc/02/35/85/852023585.db2.gz AKAHZVDKXSRFKZ-UHFFFAOYSA-N 0 0 411.483 4.098 20 5 HIBDRN CC1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cn2)CC1 ZINC000437132211 862322155 /nfs/dbraw/zinc/32/21/55/862322155.db2.gz FLPSDLXLUZFXPC-UHFFFAOYSA-N 0 0 422.407 4.175 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000437128888 862318134 /nfs/dbraw/zinc/31/81/34/862318134.db2.gz DNQSULUBNORDNC-CQSZACIVSA-N 0 0 415.494 4.003 20 5 HIBDRN COc1cc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1C ZINC000065418659 852125875 /nfs/dbraw/zinc/12/58/75/852125875.db2.gz MWAVHLXUTPDLAX-UHFFFAOYSA-N 0 0 414.405 4.339 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)ccc1OC(C)C ZINC000065732200 852238787 /nfs/dbraw/zinc/23/87/87/852238787.db2.gz FWDDZLYYEJSSLA-OAHLLOKOSA-N 0 0 411.458 4.223 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C ZINC000065744760 852242350 /nfs/dbraw/zinc/24/23/50/852242350.db2.gz OKNRODIEXKKQSP-UHFFFAOYSA-N 0 0 416.478 4.405 20 5 HIBDRN Cn1cc(C(=O)Nc2ccc(Oc3ccccc3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065750776 852244550 /nfs/dbraw/zinc/24/45/50/852244550.db2.gz OLWFLHLXVGEANE-UHFFFAOYSA-N 0 0 415.409 4.435 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCc2[nH]c3c(cccc3Br)c2C1 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CNC(=O)c1ccc(Oc2ccc(NC(=O)c3sccc3C)cc2)c([N+](=O)[O-])c1 ZINC000301172812 854319709 /nfs/dbraw/zinc/31/97/09/854319709.db2.gz FMROCDUYLFRFQZ-UHFFFAOYSA-N 0 0 411.439 4.369 20 5 HIBDRN Cc1nn(C)c(N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000301175549 854320184 /nfs/dbraw/zinc/32/01/84/854320184.db2.gz MGRBGXYDIWQCKL-UHFFFAOYSA-N 0 0 420.473 4.152 20 5 HIBDRN COc1ccccc1-c1nnc(Sc2ccc(Br)cc2[N+](=O)[O-])n1C ZINC000301178887 854321383 /nfs/dbraw/zinc/32/13/83/854321383.db2.gz MIPFWTAMDDQWJT-UHFFFAOYSA-N 0 0 421.276 4.313 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000437297924 862554956 /nfs/dbraw/zinc/55/49/56/862554956.db2.gz BSQNNHZEJMVZRY-WMLDXEAASA-N 0 0 400.232 4.125 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000301257926 854341266 /nfs/dbraw/zinc/34/12/66/854341266.db2.gz ANZPXSSJZFZCQC-UHFFFAOYSA-N 0 0 405.336 4.086 20 5 HIBDRN Cn1c(COc2ccccc2Cl)nnc1Sc1ncc([N+](=O)[O-])cc1Cl ZINC000301274412 854346184 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854500574 /nfs/dbraw/zinc/50/05/74/854500574.db2.gz WEQFKDSOGJUPGN-QWRGUYRKSA-N 0 0 402.925 4.342 20 5 HIBDRN CC(=O)c1ccc(NC(C)(C)COc2ncccc2Br)c([N+](=O)[O-])c1 ZINC000301943911 854500832 /nfs/dbraw/zinc/50/08/32/854500832.db2.gz YPHXMTKYRGHBSP-UHFFFAOYSA-N 0 0 408.252 4.224 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000301948645 854502464 /nfs/dbraw/zinc/50/24/64/854502464.db2.gz BXOHGELAGOKMMU-DOMZBBRYSA-N 0 0 416.634 4.487 20 5 HIBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(Br)c1 ZINC000301957908 854504705 /nfs/dbraw/zinc/50/47/05/854504705.db2.gz NNDWFNREMXGPIZ-KGLIPLIRSA-N 0 0 416.634 4.487 20 5 HIBDRN Cc1cccc(NC(=O)[C@H]2CCCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])C2)n1 ZINC000301982500 854508557 /nfs/dbraw/zinc/50/85/57/854508557.db2.gz BMVDHPJMPTYFMU-INIZCTEOSA-N 0 0 405.458 4.010 20 5 HIBDRN O=C(c1cc(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301986586 854510127 /nfs/dbraw/zinc/51/01/27/854510127.db2.gz KEOLZFJAADLYDG-QUCCMNQESA-N 0 0 415.877 4.426 20 5 HIBDRN Cc1cc(NCC2CCN(C(=O)c3ccccc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301988919 854510502 /nfs/dbraw/zinc/51/05/02/854510502.db2.gz DYJSABWIPASQSR-UHFFFAOYSA-N 0 0 404.470 4.416 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(n2cc(Cl)cn2)CC1 ZINC000302015729 854516505 /nfs/dbraw/zinc/51/65/05/854516505.db2.gz FKWSVPBTZPIJEE-UHFFFAOYSA-N 0 0 419.747 4.213 20 5 HIBDRN COc1ccc([C@H](Nc2cc(C)nc3c2cccc3[N+](=O)[O-])c2nccn2C)cc1 ZINC000302020089 854517289 /nfs/dbraw/zinc/51/72/89/854517289.db2.gz NJKFEUZXYXNPCC-FQEVSTJZSA-N 0 0 403.442 4.395 20 5 HIBDRN CC1CCN(C(=O)C2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000302031043 854518472 /nfs/dbraw/zinc/51/84/72/854518472.db2.gz NFBJXMIXXONDSY-UHFFFAOYSA-N 0 0 400.306 4.377 20 5 HIBDRN CCC(CC)[C@H]1C[C@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CCO1 ZINC000302029599 854519002 /nfs/dbraw/zinc/51/90/02/854519002.db2.gz HZSQBHMUROADCD-RDTXWAMCSA-N 0 0 420.897 4.190 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])C2)nc1 ZINC000302041003 854521025 /nfs/dbraw/zinc/52/10/25/854521025.db2.gz WJDWVDDIJLIXEK-MRXNPFEDSA-N 0 0 405.458 4.010 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NCc2ccccc2N2CCCCC2)c([N+](=O)[O-])c1 ZINC000302067533 854525706 /nfs/dbraw/zinc/52/57/06/854525706.db2.gz SWFRQJQPGLIZLR-UHFFFAOYSA-N 0 0 419.485 4.162 20 5 HIBDRN CCc1cc(N2CCC(c3nncn3C(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302068349 854526027 /nfs/dbraw/zinc/52/60/27/854526027.db2.gz SZDDZVFDVNQZEN-UHFFFAOYSA-N 0 0 421.505 4.171 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCCOc3cc(F)ccc32)c([N+](=O)[O-])c1 ZINC000302079554 854527605 /nfs/dbraw/zinc/52/76/05/854527605.db2.gz ZOJCBBOTZFUBRP-MRXNPFEDSA-N 0 0 410.405 4.024 20 5 HIBDRN COc1cc(N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1[N+](=O)[O-] ZINC000302077400 854527727 /nfs/dbraw/zinc/52/77/27/854527727.db2.gz YTEHPLHZDSRNQL-INIZCTEOSA-N 0 0 423.391 4.225 20 5 HIBDRN COc1cc(N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1[N+](=O)[O-] ZINC000302077401 854528064 /nfs/dbraw/zinc/52/80/64/854528064.db2.gz YTEHPLHZDSRNQL-MRXNPFEDSA-N 0 0 423.391 4.225 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc(COc3ccccc3)cc2)s1 ZINC000302105092 854530879 /nfs/dbraw/zinc/53/08/79/854530879.db2.gz WZFJZORLRLDXDS-UHFFFAOYSA-N 0 0 404.469 4.382 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccc(Cl)cc2Br)s1 ZINC000302133240 854534991 /nfs/dbraw/zinc/53/49/91/854534991.db2.gz CKNLFCHHVBYMCP-UHFFFAOYSA-N 0 0 412.670 4.268 20 5 HIBDRN O=c1cc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c2ccccc2[nH]1 ZINC000302170407 854541663 /nfs/dbraw/zinc/54/16/63/854541663.db2.gz LUZVGMFGAHHLFM-UHFFFAOYSA-N 0 0 402.410 4.435 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCO1 ZINC000302169773 854541834 /nfs/dbraw/zinc/54/18/34/854541834.db2.gz LIWSYJBRPKFZCL-NRFANRHFSA-N 0 0 405.454 4.455 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000302178876 854543953 /nfs/dbraw/zinc/54/39/53/854543953.db2.gz 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O=[N+]([O-])c1cc(Cl)cnc1N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000302337614 854562649 /nfs/dbraw/zinc/56/26/49/854562649.db2.gz BAYPKJFUSNAVHF-AWEZNQCLSA-N 0 0 416.634 4.123 20 5 HIBDRN O=C1CCc2cc(Nc3ncc([N+](=O)[O-])cc3Br)ccc2N1CC1CC1 ZINC000302359892 854563605 /nfs/dbraw/zinc/56/36/05/854563605.db2.gz FIZGYAXPMQCESS-UHFFFAOYSA-N 0 0 417.263 4.185 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c(F)c1 ZINC000302426029 854570598 /nfs/dbraw/zinc/57/05/98/854570598.db2.gz JZSMYRIJBLEJJX-UHFFFAOYSA-N 0 0 400.328 4.121 20 5 HIBDRN Cc1cc(C2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)ccc1Br ZINC000302445469 854572007 /nfs/dbraw/zinc/57/20/07/854572007.db2.gz OANMYWNKRVAQPL-UHFFFAOYSA-N 0 0 416.279 4.092 20 5 HIBDRN CC(C)(C)OC(=O)NC1(C)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000302481791 854575091 /nfs/dbraw/zinc/57/50/91/854575091.db2.gz GVFXCGAUSNUSOM-UHFFFAOYSA-N 0 0 403.401 4.497 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000302483440 854575304 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4.256 20 5 HIBDRN Cc1cc(N2CCC[C@H](c3nnc4ccccn43)C2)c(Br)cc1[N+](=O)[O-] ZINC000302677923 854603050 /nfs/dbraw/zinc/60/30/50/854603050.db2.gz NPYGUCPFYFVMGI-ZDUSSCGKSA-N 0 0 416.279 4.092 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000302688522 854604972 /nfs/dbraw/zinc/60/49/72/854604972.db2.gz OFJSCIAAJCWONX-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN CN(Cc1ccc(F)cc1Br)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000302697771 854606648 /nfs/dbraw/zinc/60/66/48/854606648.db2.gz HBMXUFIAWWWYNF-UHFFFAOYSA-N 0 0 424.226 4.089 20 5 HIBDRN COc1ccccc1-c1nc(C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)no1 ZINC000302700901 854608203 /nfs/dbraw/zinc/60/82/03/854608203.db2.gz HZAVBRKAZDSFSL-UHFFFAOYSA-N 0 0 410.430 4.046 20 5 HIBDRN Cc1cc(Oc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc(C)c1Br ZINC000302721865 854612472 /nfs/dbraw/zinc/61/24/72/854612472.db2.gz MKHYDAFQDMSLNO-UHFFFAOYSA-N 0 0 400.250 4.170 20 5 HIBDRN Cc1cc(Oc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc(C)c1Br ZINC000302726412 854614540 /nfs/dbraw/zinc/61/45/40/854614540.db2.gz PJBNZUDKLRVTAG-UHFFFAOYSA-N 0 0 400.250 4.170 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000302756940 854623163 /nfs/dbraw/zinc/62/31/63/854623163.db2.gz BZLLXOJGWZKNSM-DJTWPOEFSA-N 0 0 405.248 4.257 20 5 HIBDRN COC(=O)c1cnc(NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000302771828 854630133 /nfs/dbraw/zinc/63/01/33/854630133.db2.gz NEISVGIQLZKYJY-UHFFFAOYSA-N 0 0 402.794 4.005 20 5 HIBDRN COC(=O)c1cnc(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000302781232 854632908 /nfs/dbraw/zinc/63/29/08/854632908.db2.gz RXPAPQRNRYEVAK-UHFFFAOYSA-N 0 0 409.364 4.179 20 5 HIBDRN Cc1ccc(-c2nc(-n3ccc(=O)c([N+](=O)[O-])c3)nc3sc4c(c32)CCC4)cc1 ZINC000302787022 854633642 /nfs/dbraw/zinc/63/36/42/854633642.db2.gz WTWFHRKFWSSUIM-UHFFFAOYSA-N 0 0 404.451 4.215 20 5 HIBDRN Cc1sc(C(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000437323508 862590733 /nfs/dbraw/zinc/59/07/33/862590733.db2.gz BVYBWJFYGUUEDG-ORAYPTAESA-N 0 0 404.488 4.020 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(OCc2ccccc2)CC1 ZINC000302909577 854676487 /nfs/dbraw/zinc/67/64/87/854676487.db2.gz IZHICOOLJATGNY-MRXNPFEDSA-N 0 0 408.458 4.387 20 5 HIBDRN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437325578 862592063 /nfs/dbraw/zinc/59/20/63/862592063.db2.gz OZZLPOPOZLFKJY-QRQCRPRQSA-N 0 0 424.453 4.396 20 5 HIBDRN CCOc1ccc(OCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 ZINC000302919148 854679602 /nfs/dbraw/zinc/67/96/02/854679602.db2.gz DOUVWFMPZYWSKK-UHFFFAOYSA-N 0 0 413.455 4.443 20 5 HIBDRN CCc1ccc(C(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000437325084 862592491 /nfs/dbraw/zinc/59/24/91/862592491.db2.gz QJWXBIIWSAOFHS-KSFYIVLOSA-N 0 0 412.486 4.212 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000302939210 854688854 /nfs/dbraw/zinc/68/88/54/854688854.db2.gz AEKJNQQMWOLFDU-JOCHJYFZSA-N 0 0 402.454 4.463 20 5 HIBDRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000303086238 854754541 /nfs/dbraw/zinc/75/45/41/854754541.db2.gz BLJAUSQXZHEPEH-MRXNPFEDSA-N 0 0 420.263 4.047 20 5 HIBDRN CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000303100098 854760073 /nfs/dbraw/zinc/76/00/73/854760073.db2.gz KRZQRGUZENDVMB-KRWDZBQOSA-N 0 0 424.501 4.074 20 5 HIBDRN O=C(N[C@H](c1nccs1)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303145204 854783357 /nfs/dbraw/zinc/78/33/57/854783357.db2.gz BVONMKKRFPLRTN-FQEVSTJZSA-N 0 0 422.510 4.174 20 5 HIBDRN CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000303151484 854787557 /nfs/dbraw/zinc/78/75/57/854787557.db2.gz FNZHTPNJOMAMMR-UHFFFAOYSA-N 0 0 413.293 4.189 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000303161662 854793584 /nfs/dbraw/zinc/79/35/84/854793584.db2.gz VFSJWNYGEOTBAZ-LLVKDONJSA-N 0 0 413.257 4.036 20 5 HIBDRN O=C([C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303226513 854825650 /nfs/dbraw/zinc/82/56/50/854825650.db2.gz WLZDAOGVHSXRTH-GJZGRUSLSA-N 0 0 420.296 4.354 20 5 HIBDRN Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cc([N+](=O)[O-])ccc2OC(C)C)o1 ZINC000303238718 854830825 /nfs/dbraw/zinc/83/08/25/854830825.db2.gz IASMBWVFZQWCJQ-FQEVSTJZSA-N 0 0 408.458 4.373 20 5 HIBDRN COCCc1ccc(Oc2ccc(NC(=O)CCn3cc([N+](=O)[O-])nc3C)cc2)cc1 ZINC000303309750 854865065 /nfs/dbraw/zinc/86/50/65/854865065.db2.gz QOOPEBFFBFSDNR-UHFFFAOYSA-N 0 0 424.457 4.110 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000303312618 854866678 /nfs/dbraw/zinc/86/66/78/854866678.db2.gz RIRSAGYBKCGSRE-HSZRJFAPSA-N 0 0 405.454 4.311 20 5 HIBDRN O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000303373706 854898356 /nfs/dbraw/zinc/89/83/56/854898356.db2.gz UBCSTZMISCYTEB-UHFFFAOYSA-N 0 0 408.285 4.296 20 5 HIBDRN Cc1cc(I)ccc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303383581 854902854 /nfs/dbraw/zinc/90/28/54/854902854.db2.gz OMGIUYMSZGVPME-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000303428027 854928734 /nfs/dbraw/zinc/92/87/34/854928734.db2.gz BFJRPNNKPBAIDG-INIZCTEOSA-N 0 0 420.872 4.482 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303427071 854929117 /nfs/dbraw/zinc/92/91/17/854929117.db2.gz DUZAOWYPYHPFQH-SJORKVTESA-N 0 0 419.403 4.066 20 5 HIBDRN O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000303437892 854938305 /nfs/dbraw/zinc/93/83/05/854938305.db2.gz YGKVTOIRDGMYLY-LJQANCHMSA-N 0 0 411.849 4.100 20 5 HIBDRN CC(C)c1cccc(N(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000303454610 854954595 /nfs/dbraw/zinc/95/45/95/854954595.db2.gz KJYPLUSRQYMFPB-INIZCTEOSA-N 0 0 401.488 4.047 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c(C)c1[N+](=O)[O-] ZINC000303498537 854986935 /nfs/dbraw/zinc/98/69/35/854986935.db2.gz RCGZZFMGGQPWIC-UHFFFAOYSA-N 0 0 423.404 4.384 20 5 HIBDRN C[C@H](Sc1nccn1Cc1ccccn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000303502075 854991215 /nfs/dbraw/zinc/99/12/15/854991215.db2.gz MPBVMMALKYAQDF-ZDUSSCGKSA-N 0 0 408.443 4.138 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000303536725 855022941 /nfs/dbraw/zinc/02/29/41/855022941.db2.gz HGELRWBWGBZSAC-UHFFFAOYSA-N 0 0 403.398 4.161 20 5 HIBDRN CCCCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H](CC)c1ccccc1 ZINC000303594748 855067049 /nfs/dbraw/zinc/06/70/49/855067049.db2.gz SZRAGLPAUWOWLM-FQEVSTJZSA-N 0 0 418.515 4.392 20 5 HIBDRN CC[C@@H](C(=O)OC)N(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000437357012 862636725 /nfs/dbraw/zinc/63/67/25/862636725.db2.gz SJVLOVAAONKWMY-INIZCTEOSA-N 0 0 410.348 4.212 20 5 HIBDRN COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000303624143 855083890 /nfs/dbraw/zinc/08/38/90/855083890.db2.gz NNTZGFPANYGPLB-INIZCTEOSA-N 0 0 419.865 4.041 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NCCCc1ccc(Br)cc1F ZINC000303639551 855095957 /nfs/dbraw/zinc/09/59/57/855095957.db2.gz HDVXKJRSUKZCTP-UHFFFAOYSA-N 0 0 424.270 4.047 20 5 HIBDRN O=C(c1cccc(Oc2ccccc2)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303696366 855138398 /nfs/dbraw/zinc/13/83/98/855138398.db2.gz NFFSZQLVNWBXNI-KRWDZBQOSA-N 0 0 404.426 4.109 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303704872 855142991 /nfs/dbraw/zinc/14/29/91/855142991.db2.gz SGXDXVKUWSMKNX-SECBINFHSA-N 0 0 416.343 4.419 20 5 HIBDRN O=C(c1cc2c(s1)CCCCCC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303706387 855143862 /nfs/dbraw/zinc/14/38/62/855143862.db2.gz PARUUBVSZUUJFA-OAHLLOKOSA-N 0 0 400.504 4.037 20 5 HIBDRN CC(C)(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(F)c1 ZINC000303720716 855149849 /nfs/dbraw/zinc/14/98/49/855149849.db2.gz RQQSQHUCTOFTCG-UHFFFAOYSA-N 0 0 402.469 4.388 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)cc1SC ZINC000303748744 855170543 /nfs/dbraw/zinc/17/05/43/855170543.db2.gz HDICOXUINNWWSH-UHFFFAOYSA-N 0 0 416.434 4.211 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000303762945 855182059 /nfs/dbraw/zinc/18/20/59/855182059.db2.gz OXAGEVSFOKLFJE-INIZCTEOSA-N 0 0 402.516 4.235 20 5 HIBDRN CC[C@@H](c1ccncc1)N(C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000303773408 855189563 /nfs/dbraw/zinc/18/95/63/855189563.db2.gz RDPZGBBCAWYFBQ-INIZCTEOSA-N 0 0 410.396 4.420 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2Cl)CCOCC1 ZINC000303790721 855200265 /nfs/dbraw/zinc/20/02/65/855200265.db2.gz JUDIXHYCDOLTNE-UHFFFAOYSA-N 0 0 416.905 4.436 20 5 HIBDRN COc1cc(OC)c(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000303808781 855212129 /nfs/dbraw/zinc/21/21/29/855212129.db2.gz KUFQBLKKAOZFOP-UHFFFAOYSA-N 0 0 407.854 4.410 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1coc(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000303842803 855239893 /nfs/dbraw/zinc/23/98/93/855239893.db2.gz MGYDULATPKTDSC-QGZVFWFLSA-N 0 0 423.425 4.063 20 5 HIBDRN COc1ccc(Br)cc1S[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303855300 855251030 /nfs/dbraw/zinc/25/10/30/855251030.db2.gz KTIFWDJZAYYTJN-OAHLLOKOSA-N 0 0 423.288 4.264 20 5 HIBDRN O=C(Nc1ccc(COCc2ccccc2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303878508 855265308 /nfs/dbraw/zinc/26/53/08/855265308.db2.gz IZWFXQXJYCMYHV-UHFFFAOYSA-N 0 0 402.410 4.440 20 5 HIBDRN COc1ccc(OCCSc2nncn2-c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000303957076 855319663 /nfs/dbraw/zinc/31/96/63/855319663.db2.gz XUCZISBKNMWQIV-UHFFFAOYSA-N 0 0 406.851 4.009 20 5 HIBDRN COc1ccc(OCCSc2nc(C3CC3)n(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000303958138 855320157 /nfs/dbraw/zinc/32/01/57/855320157.db2.gz YEDKBNURWLWXDC-UHFFFAOYSA-N 0 0 412.471 4.233 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c(F)c2)cc1OC ZINC000304010734 855340494 /nfs/dbraw/zinc/34/04/94/855340494.db2.gz LCBCIYZYPSCMOV-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 ZINC000314156043 855374833 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Cc1ccc(-n2nc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c3c2CCCC3)cc1 ZINC000409497319 855509476 /nfs/dbraw/zinc/50/94/76/855509476.db2.gz BUJFRSBCPDMPKP-MRXNPFEDSA-N 0 0 404.470 4.459 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000409545794 855535593 /nfs/dbraw/zinc/53/55/93/855535593.db2.gz ANHQDPFBIAAVIP-OFNKIYASSA-N 0 0 423.513 4.095 20 5 HIBDRN COC(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1 ZINC000409552070 855538484 /nfs/dbraw/zinc/53/84/84/855538484.db2.gz KGUBIEIRIXQQMB-UHFFFAOYSA-N 0 0 402.472 4.311 20 5 HIBDRN CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000409565072 855543387 /nfs/dbraw/zinc/54/33/87/855543387.db2.gz HMSJBRFEYNEXBR-LJQANCHMSA-N 0 0 411.849 4.235 20 5 HIBDRN C[C@@H](NC(=O)Nc1cccc(I)c1)c1cccc([N+](=O)[O-])c1 ZINC000409707539 855613490 /nfs/dbraw/zinc/61/34/90/855613490.db2.gz RDRPIKBFZUXRDS-SNVBAGLBSA-N 0 0 411.199 4.082 20 5 HIBDRN Cc1sc(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)nc1-c1ccccc1 ZINC000409708949 855614242 /nfs/dbraw/zinc/61/42/42/855614242.db2.gz CPQJUAQZWFMWIU-UHFFFAOYSA-N 0 0 420.494 4.340 20 5 HIBDRN CCN(C)C(=O)c1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000409721808 855620453 /nfs/dbraw/zinc/62/04/53/855620453.db2.gz RAPQCYQQWXUXCJ-UHFFFAOYSA-N 0 0 410.455 4.063 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2nc3ccccc3s2)CC1 ZINC000409753974 855636722 /nfs/dbraw/zinc/63/67/22/855636722.db2.gz MUPAUMBJFMNWRQ-UHFFFAOYSA-N 0 0 417.878 4.212 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000409755235 855637563 /nfs/dbraw/zinc/63/75/63/855637563.db2.gz QFQHCNDMTCBAAC-UHFFFAOYSA-N 0 0 424.835 4.313 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N[C@H]2CCCC23CCOCC3)cc1[N+](=O)[O-])c1ccccn1 ZINC000409807423 855663522 /nfs/dbraw/zinc/66/35/22/855663522.db2.gz QXRVYLAUZRHXMH-IERDGZPVSA-N 0 0 424.501 4.242 20 5 HIBDRN O=C(CCSc1ncnc2sc3c(c21)CCC3)Nc1ccccc1[N+](=O)[O-] ZINC000409846855 855685382 /nfs/dbraw/zinc/68/53/82/855685382.db2.gz BWRKZICTGUKDKB-UHFFFAOYSA-N 0 0 400.485 4.209 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CCOc4c(F)cccc43)cc2[N+](=O)[O-])C1 ZINC000409855208 855689895 /nfs/dbraw/zinc/68/98/95/855689895.db2.gz MHARVVDGSZFHIF-KSSFIOAISA-N 0 0 413.449 4.224 20 5 HIBDRN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000409903816 855714884 /nfs/dbraw/zinc/71/48/84/855714884.db2.gz CKPBKYDDBFKTBA-UHFFFAOYSA-N 0 0 400.866 4.052 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)Nc2cccc3c2OCCO3)cc1[N+](=O)[O-])c1ccccn1 ZINC000409925484 855727085 /nfs/dbraw/zinc/72/70/85/855727085.db2.gz RSNWJEVAURZKBK-CQSZACIVSA-N 0 0 420.425 4.186 20 5 HIBDRN O=C(Nc1cccc(N2CCCCC2=O)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437389668 862714550 /nfs/dbraw/zinc/71/45/50/862714550.db2.gz CULSUHCJUHZJBS-UHFFFAOYSA-N 0 0 408.458 4.308 20 5 HIBDRN COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000409958569 855745507 /nfs/dbraw/zinc/74/55/07/855745507.db2.gz JXCOXWVZEMEYNE-UHFFFAOYSA-N 0 0 406.797 4.422 20 5 HIBDRN COCCN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000409962971 855747327 /nfs/dbraw/zinc/74/73/27/855747327.db2.gz QBFHUXMDSFFIGR-UHFFFAOYSA-N 0 0 412.870 4.398 20 5 HIBDRN COCCN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000409967265 855750366 /nfs/dbraw/zinc/75/03/66/855750366.db2.gz ZFDIIPTUPGFPHB-UHFFFAOYSA-N 0 0 421.856 4.250 20 5 HIBDRN O=C(CCSc1nnc(-c2ccccc2Cl)o1)Nc1ccccc1[N+](=O)[O-] ZINC000410024500 855784318 /nfs/dbraw/zinc/78/43/18/855784318.db2.gz DQDDJGBITNOEBG-UHFFFAOYSA-N 0 0 404.835 4.419 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000410047802 855798778 /nfs/dbraw/zinc/79/87/78/855798778.db2.gz RVFOZKWUPUQJHJ-DEOSSOPVSA-N 0 0 418.449 4.204 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NCCOC2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000410082466 855811461 /nfs/dbraw/zinc/81/14/61/855811461.db2.gz MJUGKTRIVNBNBI-MRXNPFEDSA-N 0 0 412.490 4.242 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000410099463 855819595 /nfs/dbraw/zinc/81/95/95/855819595.db2.gz FCTMBCOTRWUZKJ-UHFFFAOYSA-N 0 0 411.355 4.418 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4ccnc(OC(F)F)c4)no3)cs2)cc1 ZINC000410173933 855850550 /nfs/dbraw/zinc/85/05/50/855850550.db2.gz NQDJNUAAVRMKFG-UHFFFAOYSA-N 0 0 417.353 4.432 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)CSc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000410232528 855873585 /nfs/dbraw/zinc/87/35/85/855873585.db2.gz SHLPDEYDTGTRTJ-UHFFFAOYSA-N 0 0 404.463 4.183 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000410234307 855874009 /nfs/dbraw/zinc/87/40/09/855874009.db2.gz AJZYQCJDFUQVQA-LLVKDONJSA-N 0 0 413.352 4.427 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1CCOc2c(Br)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000410255349 855883611 /nfs/dbraw/zinc/88/36/11/855883611.db2.gz HZFXVQQJSFNCBX-MRXNPFEDSA-N 0 0 419.275 4.275 20 5 HIBDRN C[C@@H](C(=O)N[C@H]1CCOc2c(Br)cccc21)c1ccc([N+](=O)[O-])cc1F ZINC000410263495 855888744 /nfs/dbraw/zinc/88/87/44/855888744.db2.gz HPNHRNPFCMCSNP-HWPZZCPQSA-N 0 0 423.238 4.240 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(N2CCc3ccccc32)CC1 ZINC000410279573 855898424 /nfs/dbraw/zinc/89/84/24/855898424.db2.gz PRDAAKHWQKWHHR-IBGZPJMESA-N 0 0 407.514 4.217 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000410285248 855902808 /nfs/dbraw/zinc/90/28/08/855902808.db2.gz FCLQGEGJQRPXKX-UHFFFAOYSA-N 0 0 404.426 4.477 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2CCOc3c(Br)cccc32)c1[N+](=O)[O-] ZINC000410293078 855909193 /nfs/dbraw/zinc/90/91/93/855909193.db2.gz UDKONTPCSSPWEO-CYBMUJFWSA-N 0 0 423.288 4.333 20 5 HIBDRN Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000410324804 855929262 /nfs/dbraw/zinc/92/92/62/855929262.db2.gz KAVGKWKYBQLVHY-NRFANRHFSA-N 0 0 419.485 4.308 20 5 HIBDRN O=C(NCc1ccccc1Sc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000410373382 855958853 /nfs/dbraw/zinc/95/88/53/855958853.db2.gz XJJRKTUZUNEPMD-UHFFFAOYSA-N 0 0 422.462 4.447 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2s1 ZINC000410382690 855964341 /nfs/dbraw/zinc/96/43/41/855964341.db2.gz NKEAAWSDXWQCGI-JTQLQIEISA-N 0 0 403.847 4.279 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000410384504 855965351 /nfs/dbraw/zinc/96/53/51/855965351.db2.gz HAACNMAZEFXMKL-UHFFFAOYSA-N 0 0 424.310 4.113 20 5 HIBDRN CCc1ccc(CC)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 ZINC000437399032 862741751 /nfs/dbraw/zinc/74/17/51/862741751.db2.gz ZUQDKOFOKCUGKN-UHFFFAOYSA-N 0 0 411.487 4.252 20 5 HIBDRN Cc1c(NC(=O)c2cc3ccccc3c3cccnc23)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000425932617 856006875 /nfs/dbraw/zinc/00/68/75/856006875.db2.gz VSUAXJDIKAZUGZ-HNNXBMFYSA-N 0 0 424.460 4.393 20 5 HIBDRN O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000425961083 856019858 /nfs/dbraw/zinc/01/98/58/856019858.db2.gz RLLREVFCLVGOEN-UHFFFAOYSA-N 0 0 418.438 4.178 20 5 HIBDRN Cc1csc([C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C2CC2)n1 ZINC000426011583 856045766 /nfs/dbraw/zinc/04/57/66/856045766.db2.gz XAKPOFZUWKPYPR-AWEZNQCLSA-N 0 0 414.409 4.329 20 5 HIBDRN O=C(NCCCCOc1ccc(F)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426043415 856068529 /nfs/dbraw/zinc/06/85/29/856068529.db2.gz HKZTYFYCUHRXAU-UHFFFAOYSA-N 0 0 401.438 4.267 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cnc(C3CCCC3)nc2N)no1 ZINC000426192752 856166954 /nfs/dbraw/zinc/16/69/54/856166954.db2.gz CKLGOHLIJZMYJX-LLVKDONJSA-N 0 0 412.475 4.528 20 5 HIBDRN C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cc(Cl)ccc1Cl ZINC000426198662 856170577 /nfs/dbraw/zinc/17/05/77/856170577.db2.gz LITIDLYVEKLQFU-NSHDSACASA-N 0 0 412.277 4.206 20 5 HIBDRN C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000426201686 856172254 /nfs/dbraw/zinc/17/22/54/856172254.db2.gz QCMWSSOTQDIAPU-QMMMGPOBSA-N 0 0 422.816 4.326 20 5 HIBDRN CC(C)[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1F ZINC000426252795 856204033 /nfs/dbraw/zinc/20/40/33/856204033.db2.gz QMUOBDZDZMSJCU-SFHVURJKSA-N 0 0 423.876 4.328 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426255160 856204644 /nfs/dbraw/zinc/20/46/44/856204644.db2.gz KLNJYPIOAYUHER-UHFFFAOYSA-N 0 0 419.485 4.272 20 5 HIBDRN CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426274811 856214458 /nfs/dbraw/zinc/21/44/58/856214458.db2.gz DLLGADRBJQYXMX-HIFRSBDPSA-N 0 0 405.442 4.429 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000426289189 856223549 /nfs/dbraw/zinc/22/35/49/856223549.db2.gz LKWMVPHOSCAIFC-UHFFFAOYSA-N 0 0 420.903 4.421 20 5 HIBDRN Cc1sc(NC(=O)CCn2cc([N+](=O)[O-])cn2)nc1-c1cccc2ccccc21 ZINC000426366506 856260749 /nfs/dbraw/zinc/26/07/49/856260749.db2.gz PQEHYVZBACZKPL-UHFFFAOYSA-N 0 0 407.455 4.405 20 5 HIBDRN Cc1c(CNC(=O)N[C@H]2CSc3ccc(Br)cc32)cccc1[N+](=O)[O-] ZINC000426394033 856273547 /nfs/dbraw/zinc/27/35/47/856273547.db2.gz CBKORXOFIAJUIF-AWEZNQCLSA-N 0 0 422.304 4.312 20 5 HIBDRN CS[C@H]1C(=O)Nc2ccc(-c3noc(C(C)(C)c4ccccc4[N+](=O)[O-])n3)cc21 ZINC000426454155 856299599 /nfs/dbraw/zinc/29/95/99/856299599.db2.gz MSBAIDQEPSWNHV-MRXNPFEDSA-N 0 0 410.455 4.327 20 5 HIBDRN CN(Cc1ncnn1CC(F)F)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000426502452 856321833 /nfs/dbraw/zinc/32/18/33/856321833.db2.gz BQIXKPACGIQNBL-UHFFFAOYSA-N 0 0 421.379 4.015 20 5 HIBDRN CCSc1cccc(-c2noc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)c1 ZINC000426549784 856344075 /nfs/dbraw/zinc/34/40/75/856344075.db2.gz UIINVFOZWDLKQF-UHFFFAOYSA-N 0 0 412.471 4.260 20 5 HIBDRN Cc1cnc(OCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000426565909 856352419 /nfs/dbraw/zinc/35/24/19/856352419.db2.gz PRXGGPNDRRDOEG-OAHLLOKOSA-N 0 0 410.257 4.348 20 5 HIBDRN Cc1cnc(OCC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000426591395 856363208 /nfs/dbraw/zinc/36/32/08/856363208.db2.gz PWOIHPZECMJSTE-HXUWFJFHSA-N 0 0 411.845 4.236 20 5 HIBDRN CCc1ccc([C@@H](NC(=O)COc2ncc(C)cc2[N+](=O)[O-])c2cccs2)cc1 ZINC000426609433 856372650 /nfs/dbraw/zinc/37/26/50/856372650.db2.gz ZBHVVXNOOWFOHJ-HXUWFJFHSA-N 0 0 411.483 4.207 20 5 HIBDRN Cc1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(OCC(F)(F)F)c1 ZINC000426618425 856376253 /nfs/dbraw/zinc/37/62/53/856376253.db2.gz FFOKYFQDDMBDLA-UHFFFAOYSA-N 0 0 410.392 4.438 20 5 HIBDRN CC(C)(C)Oc1ccc(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)nc1 ZINC000426619585 856376580 /nfs/dbraw/zinc/37/65/80/856376580.db2.gz RFUSJBWLTWPTMI-UHFFFAOYSA-N 0 0 406.402 4.070 20 5 HIBDRN CC1(C)CCC[C@H]1NC(=O)c1ccc(C(=O)N[C@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000426628001 856382221 /nfs/dbraw/zinc/38/22/21/856382221.db2.gz JNMRSFFVSFHIHY-ZWKOTPCHSA-N 0 0 401.507 4.212 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426661013 856399388 /nfs/dbraw/zinc/39/93/88/856399388.db2.gz RUSVLVLMSKSDAT-FQEVSTJZSA-N 0 0 405.410 4.122 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000426736353 856444073 /nfs/dbraw/zinc/44/40/73/856444073.db2.gz XLYAUZDWXPBPHI-HXUWFJFHSA-N 0 0 405.410 4.122 20 5 HIBDRN C[C@@H]1CCCN(C(=O)c2ccc(C(=O)N3CCC[C@H](C)[C@H]3C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000426769512 856467506 /nfs/dbraw/zinc/46/75/06/856467506.db2.gz JMUXQBVDHODRFP-YYIAUSFCSA-N 0 0 401.507 4.116 20 5 HIBDRN CC(C)(C)[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)[O-] ZINC000426786175 856476222 /nfs/dbraw/zinc/47/62/22/856476222.db2.gz UAQXROZJQRYFQJ-OAHLLOKOSA-N 0 0 411.252 4.206 20 5 HIBDRN CC(C)C[C@H](C)n1nccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000426881258 856524799 /nfs/dbraw/zinc/52/47/99/856524799.db2.gz CZWPHDWEAJTXOU-VIFPVBQESA-N 0 0 401.286 4.475 20 5 HIBDRN O=C(NCc1nc(-c2ccccc2F)cs1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000426904762 856535680 /nfs/dbraw/zinc/53/56/80/856535680.db2.gz JXRYNOUHYZETGL-UHFFFAOYSA-N 0 0 412.446 4.125 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437453169 862817961 /nfs/dbraw/zinc/81/79/61/862817961.db2.gz MTIBCZBRHXMHHN-IIBYNOLFSA-N 0 0 413.474 4.350 20 5 HIBDRN Cc1cccc(-n2c(SCCn3ccc([N+](=O)[O-])n3)nnc2-c2ccccc2)c1 ZINC000427101896 856637901 /nfs/dbraw/zinc/63/79/01/856637901.db2.gz SJVQVSVBADJWKN-UHFFFAOYSA-N 0 0 406.471 4.140 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000427155295 856674451 /nfs/dbraw/zinc/67/44/51/856674451.db2.gz NJDXRSFTMWDERT-UHFFFAOYSA-N 0 0 408.845 4.269 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccccc2-c2nc(C)c[nH]2)cc1[N+](=O)[O-] ZINC000427187969 856700130 /nfs/dbraw/zinc/70/01/30/856700130.db2.gz VEIBYTNZFGOZCJ-UHFFFAOYSA-N 0 0 412.471 4.174 20 5 HIBDRN O=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437464313 862827067 /nfs/dbraw/zinc/82/70/67/862827067.db2.gz BYKDQMIWDSFSTN-UHFFFAOYSA-N 0 0 419.437 4.352 20 5 HIBDRN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000427207233 856713035 /nfs/dbraw/zinc/71/30/35/856713035.db2.gz UZGXSNVQMJNQBY-UHFFFAOYSA-N 0 0 412.620 4.388 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC(C)(C)Oc4ccccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000427263663 856742544 /nfs/dbraw/zinc/74/25/44/856742544.db2.gz WHIWXFNBYJRQQJ-UHFFFAOYSA-N 0 0 420.469 4.274 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000427267101 856744117 /nfs/dbraw/zinc/74/41/17/856744117.db2.gz NCCRSQDIHNNXGB-UHFFFAOYSA-N 0 0 403.438 4.418 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)n1 ZINC000427335469 856777955 /nfs/dbraw/zinc/77/79/55/856777955.db2.gz FLXIUUATWHDWBS-UHFFFAOYSA-N 0 0 406.229 4.432 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000427358859 856792566 /nfs/dbraw/zinc/79/25/66/856792566.db2.gz KXWPPQUOCIBTSY-UHFFFAOYSA-N 0 0 417.259 4.295 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000437477899 862838494 /nfs/dbraw/zinc/83/84/94/862838494.db2.gz BALLMUHODVPYBV-YEORSEQZSA-N 0 0 408.332 4.018 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccc(Cl)cc2)C2CCCCC2)n1 ZINC000427447261 856823951 /nfs/dbraw/zinc/82/39/51/856823951.db2.gz VHMKDCHMPADELP-QGZVFWFLSA-N 0 0 404.898 4.386 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(C3CC3)c(Cc3ccc(F)cc3)s2)n1 ZINC000427466158 856832767 /nfs/dbraw/zinc/83/27/67/856832767.db2.gz KMGZNJHQTQNFEY-UHFFFAOYSA-N 0 0 415.450 4.127 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000427479537 856836945 /nfs/dbraw/zinc/83/69/45/856836945.db2.gz LSDYDNHFKLSEON-ZDUSSCGKSA-N 0 0 410.499 4.431 20 5 HIBDRN O=C(N[C@H]1CCc2[nH]cnc2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000427505633 856844062 /nfs/dbraw/zinc/84/40/62/856844062.db2.gz OGLDEHPCILSYNH-AWEZNQCLSA-N 0 0 412.833 4.051 20 5 HIBDRN O=C(CCCc1nc(-c2cccs2)no1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427582932 856877879 /nfs/dbraw/zinc/87/78/79/856877879.db2.gz KGFYDGMJKJHUFB-UHFFFAOYSA-N 0 0 412.471 4.220 20 5 HIBDRN O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427594637 856881713 /nfs/dbraw/zinc/88/17/13/856881713.db2.gz ALNOUQGYAPKPIS-UHFFFAOYSA-N 0 0 420.444 4.213 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)C[C@@H](C)O1 ZINC000427594743 856881843 /nfs/dbraw/zinc/88/18/43/856881843.db2.gz RGIBUTVSKIQCLX-QZTJIDSGSA-N 0 0 423.513 4.009 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(-c4ccccc4Cl)nc3c2)n1 ZINC000427594670 856882213 /nfs/dbraw/zinc/88/22/13/856882213.db2.gz ASUMGEFCNAGFBY-UHFFFAOYSA-N 0 0 410.821 4.260 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)n1 ZINC000427599230 856883059 /nfs/dbraw/zinc/88/30/59/856883059.db2.gz NOQOHJGVBPFXDX-UHFFFAOYSA-N 0 0 400.822 4.296 20 5 HIBDRN CN(Cc1cc(Br)ccc1Cl)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000427735854 856929535 /nfs/dbraw/zinc/92/95/35/856929535.db2.gz KYJCRDSKNUUEFT-UHFFFAOYSA-N 0 0 415.646 4.351 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000427738946 856932293 /nfs/dbraw/zinc/93/22/93/856932293.db2.gz CNVYIZVMPYOCMY-UHFFFAOYSA-N 0 0 413.449 4.130 20 5 HIBDRN COCCN(Cc1ccc(Br)s1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000427761543 856943296 /nfs/dbraw/zinc/94/32/96/856943296.db2.gz OPGUBBILVONZJU-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000427773955 856948443 /nfs/dbraw/zinc/94/84/43/856948443.db2.gz NVJWXCKYJLEFEX-UHFFFAOYSA-N 0 0 421.844 4.045 20 5 HIBDRN CCN(Cc1ccc(Cl)s1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427908069 857002125 /nfs/dbraw/zinc/00/21/25/857002125.db2.gz WLFZSBKIZMNHFM-UHFFFAOYSA-N 0 0 405.863 4.285 20 5 HIBDRN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1cccc(OC(F)F)c1 ZINC000427907957 857002371 /nfs/dbraw/zinc/00/23/71/857002371.db2.gz MEOQSAGSXIFFEM-LBPRGKRZSA-N 0 0 417.368 4.001 20 5 HIBDRN CC(C)Oc1cccc([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000427917293 857006708 /nfs/dbraw/zinc/00/67/08/857006708.db2.gz SVQHSBHBLJRMCT-OAHLLOKOSA-N 0 0 409.442 4.186 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCS[C@H](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000427921269 857008940 /nfs/dbraw/zinc/00/89/40/857008940.db2.gz FDEUECJXLSCHGI-CABCVRRESA-N 0 0 400.504 4.131 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000437513933 862861351 /nfs/dbraw/zinc/86/13/51/862861351.db2.gz KCYKDIQSINYZDF-MJHDQNEOSA-N 0 0 411.202 4.312 20 5 HIBDRN C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437527327 862867773 /nfs/dbraw/zinc/86/77/73/862867773.db2.gz KUGWJBOQXKICDA-OYHNWAKOSA-N 0 0 423.469 4.131 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(F)c3-c3nc[nH]n3)cc2[N+](=O)[O-])C1 ZINC000428236381 857122089 /nfs/dbraw/zinc/12/20/89/857122089.db2.gz HABLBXBGDWWLRJ-CYBMUJFWSA-N 0 0 424.436 4.008 20 5 HIBDRN CNc1c(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)cccc1[N+](=O)[O-] ZINC000428295143 857144513 /nfs/dbraw/zinc/14/45/13/857144513.db2.gz PWYUGJVQNRSNGD-UHFFFAOYSA-N 0 0 419.363 4.308 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C(=O)c1ccc(Cl)s1 ZINC000428297718 857145510 /nfs/dbraw/zinc/14/55/10/857145510.db2.gz DAODUTIHXSIBGU-UHFFFAOYSA-N 0 0 414.826 4.362 20 5 HIBDRN CO[C@@](C)(C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1F ZINC000428312282 857148957 /nfs/dbraw/zinc/14/89/57/857148957.db2.gz FCKPYNCMKRPXRA-LJQANCHMSA-N 0 0 401.419 4.358 20 5 HIBDRN CC1(C)CCC(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000428360036 857172436 /nfs/dbraw/zinc/17/24/36/857172436.db2.gz RAGVVPILARXWDE-UHFFFAOYSA-N 0 0 423.516 4.039 20 5 HIBDRN COC(=O)[C@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000428385197 857184615 /nfs/dbraw/zinc/18/46/15/857184615.db2.gz PRPWEAOQFCKKIH-BFUOFWGJSA-N 0 0 406.866 4.082 20 5 HIBDRN CC(C)Oc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000428389086 857186804 /nfs/dbraw/zinc/18/68/04/857186804.db2.gz YVCIKHGKUUORBW-UHFFFAOYSA-N 0 0 418.393 4.226 20 5 HIBDRN COC(=O)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cc(C)cc(C)c1 ZINC000428395262 857189388 /nfs/dbraw/zinc/18/93/88/857189388.db2.gz ZFPTZCCDHZQWFM-IBGZPJMESA-N 0 0 411.483 4.339 20 5 HIBDRN O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000428497779 857226797 /nfs/dbraw/zinc/22/67/97/857226797.db2.gz IUJXFLGKXIYRQA-UHFFFAOYSA-N 0 0 412.858 4.392 20 5 HIBDRN O=C(NCc1nc(-c2ccccc2F)cs1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000428535791 857248954 /nfs/dbraw/zinc/24/89/54/857248954.db2.gz HWAHMYVGRFSTMI-UHFFFAOYSA-N 0 0 423.372 4.389 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000428672356 857294149 /nfs/dbraw/zinc/29/41/49/857294149.db2.gz XRGSZPMPCZNOHT-XPTSAGLGSA-N 0 0 414.293 4.011 20 5 HIBDRN Cc1cccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1C ZINC000428706161 857303391 /nfs/dbraw/zinc/30/33/91/857303391.db2.gz DXLNPRBAJJZPEP-UHFFFAOYSA-N 0 0 406.280 4.045 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000428820493 857360487 /nfs/dbraw/zinc/36/04/87/857360487.db2.gz SVUQOUFIZRKMNL-UHFFFAOYSA-N 0 0 416.846 4.450 20 5 HIBDRN COC[C@H](C)Nc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437589206 862903345 /nfs/dbraw/zinc/90/33/45/862903345.db2.gz JVACYTUTSDJLGS-QWHCGFSZSA-N 0 0 407.854 4.101 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccccc2OCCn2ccnc2)cc1[N+](=O)[O-] ZINC000428892232 857395462 /nfs/dbraw/zinc/39/54/62/857395462.db2.gz LEAQKVAGKMHYGW-INIZCTEOSA-N 0 0 409.446 4.061 20 5 HIBDRN COC[C@H](C)Nc1ccccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437600128 862912377 /nfs/dbraw/zinc/91/23/77/862912377.db2.gz CYYRMOKQEBEXRQ-ZDUSSCGKSA-N 0 0 412.471 4.417 20 5 HIBDRN COc1ccc(NC(=O)CN2CC[C@@H](Sc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000429130922 857524938 /nfs/dbraw/zinc/52/49/38/857524938.db2.gz VUHGWKWVKGVHFT-MRXNPFEDSA-N 0 0 421.906 4.062 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000429254752 857576810 /nfs/dbraw/zinc/57/68/10/857576810.db2.gz RDFCATJYRXXOSO-NSHDSACASA-N 0 0 414.259 4.359 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Oc1ccc(Cl)cc1 ZINC000429346680 857612749 /nfs/dbraw/zinc/61/27/49/857612749.db2.gz CLUWWKZSKCPONS-JTQLQIEISA-N 0 0 413.655 4.208 20 5 HIBDRN CCCCOC1CCN(C(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])CC1 ZINC000437618945 862935957 /nfs/dbraw/zinc/93/59/57/862935957.db2.gz GLCQLRKMRCLDAR-UHFFFAOYSA-N 0 0 409.483 4.205 20 5 HIBDRN CN(Cc1cn2c(n1)CCCC2)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000429514580 857709926 /nfs/dbraw/zinc/70/99/26/857709926.db2.gz IFEDAZXSWMKNKI-UHFFFAOYSA-N 0 0 419.485 4.012 20 5 HIBDRN Cc1noc(C[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000429520308 857713817 /nfs/dbraw/zinc/71/38/17/857713817.db2.gz DAYFVSYWFIVMLD-SFHVURJKSA-N 0 0 408.458 4.298 20 5 HIBDRN CCSc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)ccn1 ZINC000429538644 857730832 /nfs/dbraw/zinc/73/08/32/857730832.db2.gz IFNWIHRJBWEUKY-UHFFFAOYSA-N 0 0 400.382 4.442 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000429548436 857738074 /nfs/dbraw/zinc/73/80/74/857738074.db2.gz PIGYMTGHNUQFQC-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000429548206 857738348 /nfs/dbraw/zinc/73/83/48/857738348.db2.gz PBLAJHRBUHXVOP-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)OCCO2 ZINC000429633448 857809715 /nfs/dbraw/zinc/80/97/15/857809715.db2.gz IDTMTNFHUOKYFN-UHFFFAOYSA-N 0 0 415.446 4.207 20 5 HIBDRN O=C(Nc1c(F)cccc1N1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429783048 857884010 /nfs/dbraw/zinc/88/40/10/857884010.db2.gz HHUFRUQSMCDFAR-UHFFFAOYSA-N 0 0 408.227 4.349 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CNc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000429788077 857884939 /nfs/dbraw/zinc/88/49/39/857884939.db2.gz YDKQPXLTJDUHMZ-UHFFFAOYSA-N 0 0 403.438 4.418 20 5 HIBDRN Cc1c(NCc2noc(Cc3ccccc3)n2)cc(Br)cc1[N+](=O)[O-] ZINC000429790657 857886191 /nfs/dbraw/zinc/88/61/91/857886191.db2.gz NPWFUXPQLSUGRE-UHFFFAOYSA-N 0 0 403.236 4.252 20 5 HIBDRN Cc1c(NCc2nnc(-c3ccccc3)n2C)cc(Br)cc1[N+](=O)[O-] ZINC000429795902 857888617 /nfs/dbraw/zinc/88/86/17/857888617.db2.gz MEWOAQQGNAYEBX-UHFFFAOYSA-N 0 0 402.252 4.073 20 5 HIBDRN COc1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2OC)c2ccccc2OC)cc1 ZINC000429810155 857892745 /nfs/dbraw/zinc/89/27/45/857892745.db2.gz SYSRTQBDEGGNEF-QHCPKHFHSA-N 0 0 408.454 4.500 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000429844263 857907333 /nfs/dbraw/zinc/90/73/33/857907333.db2.gz IEDBPCBGEICPOR-LLVKDONJSA-N 0 0 420.263 4.138 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CCNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2)n1 ZINC000429853733 857911457 /nfs/dbraw/zinc/91/14/57/857911457.db2.gz TXSBERSSZVAANM-UHFFFAOYSA-N 0 0 406.486 4.034 20 5 HIBDRN CCCC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000429859117 857913615 /nfs/dbraw/zinc/91/36/15/857913615.db2.gz OZXVTRRGIXILIM-UHFFFAOYSA-N 0 0 406.236 4.348 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000437638002 862966594 /nfs/dbraw/zinc/96/65/94/862966594.db2.gz RWAHCVISXMPDAH-JCNLHEQBSA-N 0 0 407.392 4.402 20 5 HIBDRN CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000429934115 857956102 /nfs/dbraw/zinc/95/61/02/857956102.db2.gz PZPFANBODNQKNB-UHFFFAOYSA-N 0 0 420.263 4.138 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n(Cc2ccccc2)n1 ZINC000429932616 857956550 /nfs/dbraw/zinc/95/65/50/857956550.db2.gz ZYHQKTSKYKVYPJ-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429941389 857961405 /nfs/dbraw/zinc/96/14/05/857961405.db2.gz IZAFFWCRORUIBY-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000429979597 857980638 /nfs/dbraw/zinc/98/06/38/857980638.db2.gz ZQCLIROSDKWRFS-UHFFFAOYSA-N 0 0 409.364 4.320 20 5 HIBDRN Cc1cc(Br)cnc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000430080384 858022802 /nfs/dbraw/zinc/02/28/02/858022802.db2.gz OKJXGWYNWLCFFV-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1cccc(O)c1 ZINC000430240162 858093403 /nfs/dbraw/zinc/09/34/03/858093403.db2.gz LNBMUJNFJMEHGJ-SNVBAGLBSA-N 0 0 421.240 4.284 20 5 HIBDRN O=C(CN1CCC[C@@H]1c1ccc(Br)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000430242974 858094842 /nfs/dbraw/zinc/09/48/42/858094842.db2.gz KGZPDSSZGLRDJF-MRXNPFEDSA-N 0 0 422.254 4.272 20 5 HIBDRN O=C(N[C@@H]1Cc2cccc(O)c2C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000430265685 858101862 /nfs/dbraw/zinc/10/18/62/858101862.db2.gz ZWVRWWVJJDVXKK-MRXNPFEDSA-N 0 0 406.463 4.349 20 5 HIBDRN CCCC[C@H](CCC)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000430309780 858117784 /nfs/dbraw/zinc/11/77/84/858117784.db2.gz YCRHZCLVWGLHQO-ZDUSSCGKSA-N 0 0 414.300 4.079 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000430412071 858149413 /nfs/dbraw/zinc/14/94/13/858149413.db2.gz BUQXXJIXQLGEDD-UHFFFAOYSA-N 0 0 416.437 4.319 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430434780 858160678 /nfs/dbraw/zinc/16/06/78/858160678.db2.gz ARTNHNORRTZNTH-XLIONFOSSA-N 0 0 414.527 4.326 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000430438060 858163247 /nfs/dbraw/zinc/16/32/47/858163247.db2.gz LRLMDDWQEGQMLS-CVEARBPZSA-N 0 0 415.660 4.285 20 5 HIBDRN O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437656005 862992595 /nfs/dbraw/zinc/99/25/95/862992595.db2.gz PJKCRTPUDDNATP-UHFFFAOYSA-N 0 0 411.727 4.304 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000430491560 858196600 /nfs/dbraw/zinc/19/66/00/858196600.db2.gz ZMEYYJVBRWICNV-KRWDZBQOSA-N 0 0 402.472 4.130 20 5 HIBDRN CC(C)(NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000430495667 858200417 /nfs/dbraw/zinc/20/04/17/858200417.db2.gz BFDVPOICHRYNSI-UHFFFAOYSA-N 0 0 418.318 4.479 20 5 HIBDRN Cc1cnc(C(C)(C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000430518060 858205038 /nfs/dbraw/zinc/20/50/38/858205038.db2.gz BKCICBGPLHEEES-UHFFFAOYSA-N 0 0 416.425 4.232 20 5 HIBDRN COc1ccc(SCCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000430518580 858206010 /nfs/dbraw/zinc/20/60/10/858206010.db2.gz FDNTYFIYSDWMMS-UHFFFAOYSA-N 0 0 404.488 4.146 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1(Sc2ccc(C)cc2)CCCC1 ZINC000430526931 858208446 /nfs/dbraw/zinc/20/84/46/858208446.db2.gz HXVPNPMWKZKYEW-UHFFFAOYSA-N 0 0 402.520 4.020 20 5 HIBDRN O=C(N[C@@H](CO)CC(F)F)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000430526796 858208487 /nfs/dbraw/zinc/20/84/87/858208487.db2.gz SFTJIZDNPDGNRF-LLVKDONJSA-N 0 0 416.833 4.145 20 5 HIBDRN CC(C)(NC(=O)CCOc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000430566505 858220746 /nfs/dbraw/zinc/22/07/46/858220746.db2.gz CPIFSJAVTKBMHI-UHFFFAOYSA-N 0 0 407.264 4.178 20 5 HIBDRN CC[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Oc1cccc(C)c1 ZINC000430627055 858240962 /nfs/dbraw/zinc/24/09/62/858240962.db2.gz LYNKRLIXKJQQKG-AWEZNQCLSA-N 0 0 407.264 4.253 20 5 HIBDRN O=C(Nc1ccc(OCC(F)F)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430646087 858245978 /nfs/dbraw/zinc/24/59/78/858245978.db2.gz VYPKOAQUPSHDIM-UHFFFAOYSA-N 0 0 401.163 4.254 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)cc1OC ZINC000430663180 858257123 /nfs/dbraw/zinc/25/71/23/858257123.db2.gz FQMGEAYEOPJUJR-FKIZINRSSA-N 0 0 402.422 4.195 20 5 HIBDRN Cc1cncc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000430671206 858261613 /nfs/dbraw/zinc/26/16/13/858261613.db2.gz PVJHEFOYOPSFTL-UHFFFAOYSA-N 0 0 408.380 4.172 20 5 HIBDRN O=C(c1cn(-c2ccc(Cl)c(Cl)c2)cn1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000430682193 858267347 /nfs/dbraw/zinc/26/73/47/858267347.db2.gz SOUCLCXAVYLMCN-UHFFFAOYSA-N 0 0 403.225 4.290 20 5 HIBDRN O=C(CO[C@@H]1CCCc2ccccc21)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000430799339 858309895 /nfs/dbraw/zinc/30/98/95/858309895.db2.gz KWTREPBPQRUJEV-GOSISDBHSA-N 0 0 408.376 4.324 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000430830181 858321429 /nfs/dbraw/zinc/32/14/29/858321429.db2.gz LOKLETOTFCUHIS-OAHLLOKOSA-N 0 0 421.478 4.486 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000430833174 858323265 /nfs/dbraw/zinc/32/32/65/858323265.db2.gz MURQTYJBMABINW-UHFFFAOYSA-N 0 0 411.458 4.440 20 5 HIBDRN C[C@@H]1CCN(c2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)ccn2)C1 ZINC000437676050 863018192 /nfs/dbraw/zinc/01/81/92/863018192.db2.gz SPOMSPDAUGQCRU-CQSZACIVSA-N 0 0 422.407 4.041 20 5 HIBDRN O=C(c1ccc2ccc(Cl)cc2n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000437690144 863027694 /nfs/dbraw/zinc/02/76/94/863027694.db2.gz YEAYOIRRWMLWOZ-UHFFFAOYSA-N 0 0 411.845 4.480 20 5 HIBDRN CC(C)(NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000431066607 858431242 /nfs/dbraw/zinc/43/12/42/858431242.db2.gz AMNUKLQEQJMHMS-UHFFFAOYSA-N 0 0 416.865 4.432 20 5 HIBDRN C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000431072284 858434520 /nfs/dbraw/zinc/43/45/20/858434520.db2.gz SDQUCQNEPBKERB-NSHDSACASA-N 0 0 403.287 4.125 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000431149061 858471425 /nfs/dbraw/zinc/47/14/25/858471425.db2.gz AAVQOARBNZHEKW-GXTWGEPZSA-N 0 0 405.248 4.042 20 5 HIBDRN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])nc1 ZINC000431173245 858486149 /nfs/dbraw/zinc/48/61/49/858486149.db2.gz PHTQOTNSQIUOPG-UHFFFAOYSA-N 0 0 424.844 4.168 20 5 HIBDRN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000431172946 858486212 /nfs/dbraw/zinc/48/62/12/858486212.db2.gz ZXFXMVATAGVGGL-UHFFFAOYSA-N 0 0 401.177 4.009 20 5 HIBDRN Cc1c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)oc2c1C(=O)CCC2 ZINC000431177166 858488652 /nfs/dbraw/zinc/48/86/52/858488652.db2.gz XHJUILXOVYZPKL-UHFFFAOYSA-N 0 0 407.220 4.338 20 5 HIBDRN Cc1c(NC(=O)c2ccc(C(F)(F)F)nc2)cc(Br)cc1[N+](=O)[O-] ZINC000431179442 858490395 /nfs/dbraw/zinc/49/03/95/858490395.db2.gz MGOBKZQMDFHPTL-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN Cc1c(NC(=O)c2cc(COC(C)(C)C)on2)cc(Br)cc1[N+](=O)[O-] ZINC000431180584 858490812 /nfs/dbraw/zinc/49/08/12/858490812.db2.gz HLLMNQHCAZGSFT-UHFFFAOYSA-N 0 0 412.240 4.221 20 5 HIBDRN COc1ccc(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1F ZINC000431183127 858492124 /nfs/dbraw/zinc/49/21/24/858492124.db2.gz QCWWYRVVLFOHQE-UHFFFAOYSA-N 0 0 411.227 4.385 20 5 HIBDRN C[C@@H](NC(=O)COc1c(Br)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000431238633 858524143 /nfs/dbraw/zinc/52/41/43/858524143.db2.gz SEALNPVRCZBWSL-SNVBAGLBSA-N 0 0 413.655 4.267 20 5 HIBDRN Cc1c(NC(=O)c2cnc([C@H]3CCCO3)s2)cc(Br)cc1[N+](=O)[O-] ZINC000431245243 858527595 /nfs/dbraw/zinc/52/75/95/858527595.db2.gz DQFFZZNWJHWHGG-GFCCVEGCSA-N 0 0 412.265 4.226 20 5 HIBDRN Cc1onc(-c2ccncc2)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431249305 858529846 /nfs/dbraw/zinc/52/98/46/858529846.db2.gz KVJAOHUMJZPGGY-UHFFFAOYSA-N 0 0 417.219 4.276 20 5 HIBDRN COc1ccc(OCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1C ZINC000431268012 858540517 /nfs/dbraw/zinc/54/05/17/858540517.db2.gz HCEYNWJTKGPZMO-UHFFFAOYSA-N 0 0 409.236 4.000 20 5 HIBDRN CCc1ccnc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 ZINC000437709944 863042063 /nfs/dbraw/zinc/04/20/63/863042063.db2.gz NHQXQHXWFNQLAD-UHFFFAOYSA-N 0 0 414.512 4.398 20 5 HIBDRN Cc1cnn(-c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2F)c1 ZINC000431471402 858632393 /nfs/dbraw/zinc/63/23/93/858632393.db2.gz OFHSTDQNVGRPGG-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ncc(Br)cn1 ZINC000431480588 858636863 /nfs/dbraw/zinc/63/68/63/858636863.db2.gz DPHSYCPVSYQMKC-ZETCQYMHSA-N 0 0 402.046 4.083 20 5 HIBDRN C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000431495709 858643698 /nfs/dbraw/zinc/64/36/98/858643698.db2.gz RBMOVBJCCMOOPG-SNVBAGLBSA-N 0 0 423.267 4.279 20 5 HIBDRN O=c1c(Cl)c(N2CCC[C@H](c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000431503375 858646977 /nfs/dbraw/zinc/64/69/77/858646977.db2.gz AQWQNMZBYNIWNV-INIZCTEOSA-N 0 0 410.861 4.178 20 5 HIBDRN COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431512022 858650666 /nfs/dbraw/zinc/65/06/66/858650666.db2.gz MRVZNVDLBNPUQV-GFCCVEGCSA-N 0 0 407.264 4.069 20 5 HIBDRN COCc1nc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc2o1 ZINC000431514272 858651727 /nfs/dbraw/zinc/65/17/27/858651727.db2.gz YNIWXFJIJJTCAW-UHFFFAOYSA-N 0 0 413.433 4.081 20 5 HIBDRN COc1cc(CN2C(=O)C[C@](C)(c3ccc(C(C)C)cc3)C2=O)c([N+](=O)[O-])cc1F ZINC000431558826 858669910 /nfs/dbraw/zinc/66/99/10/858669910.db2.gz QYHTULCGTGPBJB-JOCHJYFZSA-N 0 0 414.433 4.083 20 5 HIBDRN Cc1ccc(C[C@@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000431589882 858679179 /nfs/dbraw/zinc/67/91/79/858679179.db2.gz MSXSCSGZMUHCSH-SFHVURJKSA-N 0 0 405.454 4.064 20 5 HIBDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431643762 858707549 /nfs/dbraw/zinc/70/75/49/858707549.db2.gz DCZIAJHKIKEDAB-UHFFFAOYSA-N 0 0 418.247 4.267 20 5 HIBDRN C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000431661881 858720847 /nfs/dbraw/zinc/72/08/47/858720847.db2.gz CBFCHKCYAZCFFL-ZDUSSCGKSA-N 0 0 401.467 4.321 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC(OCCCc2ccccc2)C1 ZINC000431716758 858758707 /nfs/dbraw/zinc/75/87/07/858758707.db2.gz CFGALOSCLKKIQG-UHFFFAOYSA-N 0 0 423.494 4.192 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000437732138 863061473 /nfs/dbraw/zinc/06/14/73/863061473.db2.gz YYDUDPKFRNPZEG-KXBFYZLASA-N 0 0 424.906 4.003 20 5 HIBDRN CC(C)CC(=O)Nc1cccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000431791803 858814412 /nfs/dbraw/zinc/81/44/12/858814412.db2.gz RKBHGOFPYBQPMV-UHFFFAOYSA-N 0 0 412.490 4.314 20 5 HIBDRN CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000431848830 858838850 /nfs/dbraw/zinc/83/88/50/858838850.db2.gz ZEDFXTAGFMEBJN-IBGZPJMESA-N 0 0 417.512 4.160 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000431882279 858854680 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CC[C@@H]1CN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CCCO1 ZINC000467560150 881382109 /nfs/dbraw/zinc/38/21/09/881382109.db2.gz ONQPJQLOVDWATD-LJQANCHMSA-N 0 0 400.475 4.183 20 5 HIBDRN COc1cc(OC)cc([C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])c2nccn2C)c1 ZINC000432339173 859108823 /nfs/dbraw/zinc/10/88/23/859108823.db2.gz ZNRPCEPFYNBXHE-FQEVSTJZSA-N 0 0 419.441 4.095 20 5 HIBDRN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000432340298 859109969 /nfs/dbraw/zinc/10/99/69/859109969.db2.gz XZOXUVJYHDDFRU-IRXDYDNUSA-N 0 0 405.454 4.235 20 5 HIBDRN Cc1cc(NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000432366980 859124667 /nfs/dbraw/zinc/12/46/67/859124667.db2.gz DVCQYFLVXPZEOB-CQSZACIVSA-N 0 0 417.771 4.431 20 5 HIBDRN Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n(-c2ccccc2F)n1 ZINC000432427148 859160463 /nfs/dbraw/zinc/16/04/63/859160463.db2.gz AZWQMPNZMDTPFL-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN C[C@@H]1COCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000432469640 859179079 /nfs/dbraw/zinc/17/90/79/859179079.db2.gz DVIDDERJOXIEET-ACJLOTCBSA-N 0 0 403.866 4.015 20 5 HIBDRN Cc1cnc(C2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CC2)s1 ZINC000432499284 859195113 /nfs/dbraw/zinc/19/51/13/859195113.db2.gz FWQNSUFCWQEZJZ-UHFFFAOYSA-N 0 0 409.895 4.188 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(OCC(F)(F)F)c1 ZINC000432531141 859212853 /nfs/dbraw/zinc/21/28/53/859212853.db2.gz LNYSGELKSMBMHV-UHFFFAOYSA-N 0 0 421.331 4.102 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC2(CCCC2)c2cccc(F)c21 ZINC000432565079 859228954 /nfs/dbraw/zinc/22/89/54/859228954.db2.gz GTGQTXFRMVEUMD-UHFFFAOYSA-N 0 0 406.417 4.392 20 5 HIBDRN Cc1c(CC(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cccc1[N+](=O)[O-] ZINC000432577681 859235245 /nfs/dbraw/zinc/23/52/45/859235245.db2.gz HMPHBKAYOMMOAM-KRWDZBQOSA-N 0 0 408.483 4.404 20 5 HIBDRN COc1cc(CNc2cccc(-n3ccnc3)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000432608186 859253545 /nfs/dbraw/zinc/25/35/45/859253545.db2.gz RRVUBHLMRFNCQY-UHFFFAOYSA-N 0 0 422.363 4.342 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432642694 859268954 /nfs/dbraw/zinc/26/89/54/859268954.db2.gz FVRSPNFKDXFAOQ-SJORKVTESA-N 0 0 423.238 4.147 20 5 HIBDRN O=C(Nc1nc2cc(F)c(F)cc2s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432670065 859282872 /nfs/dbraw/zinc/28/28/72/859282872.db2.gz NFUJAWNPZKCHSB-UHFFFAOYSA-N 0 0 414.187 4.498 20 5 HIBDRN C[C@H](c1cccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1)N1CCOCC1 ZINC000432808140 859369589 /nfs/dbraw/zinc/36/95/89/859369589.db2.gz HZVKNJHRTLTQFI-MRXNPFEDSA-N 0 0 412.490 4.045 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000432821086 859374411 /nfs/dbraw/zinc/37/44/11/859374411.db2.gz WDUHZHSOPAOQTO-UHFFFAOYSA-N 0 0 421.240 4.005 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000432852972 859390377 /nfs/dbraw/zinc/39/03/77/859390377.db2.gz ILTZZJDITOOWFV-SFHVURJKSA-N 0 0 404.369 4.027 20 5 HIBDRN CCn1nccc1C1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000432914753 859428195 /nfs/dbraw/zinc/42/81/95/859428195.db2.gz BXWMGCXXPURSTK-UHFFFAOYSA-N 0 0 404.470 4.426 20 5 HIBDRN CCc1cc(NC(=O)c2cn(C)nc2C2CCCCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000433000146 859471583 /nfs/dbraw/zinc/47/15/83/859471583.db2.gz VLNVWZMAOKNPMJ-UHFFFAOYSA-N 0 0 407.474 4.161 20 5 HIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000433015461 859478703 /nfs/dbraw/zinc/47/87/03/859478703.db2.gz KNGCPPXSUPDGQQ-UHFFFAOYSA-N 0 0 408.462 4.491 20 5 HIBDRN CN(Cc1ccc(F)c(Cl)c1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433045792 859497304 /nfs/dbraw/zinc/49/73/04/859497304.db2.gz RVVYFXJBFCPASO-UHFFFAOYSA-N 0 0 400.237 4.425 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC(c2nc3ccccc3s2)C1 ZINC000433077995 859513389 /nfs/dbraw/zinc/51/33/89/859513389.db2.gz UHRUFKYMPPJGAF-UHFFFAOYSA-N 0 0 418.272 4.207 20 5 HIBDRN O=C(C[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cccs1 ZINC000433095948 859519441 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FUCBLOZSJVFFEI-UHFFFAOYSA-N 0 0 403.485 4.064 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)c1[N+](=O)[O-] ZINC000433833265 859921365 /nfs/dbraw/zinc/92/13/65/859921365.db2.gz NBTLPBJBVFOBIJ-UHFFFAOYSA-N 0 0 422.420 4.300 20 5 HIBDRN CCOc1ccc([C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c2ccccc2)cc1 ZINC000433834311 859921442 /nfs/dbraw/zinc/92/14/42/859921442.db2.gz RPVNPCAIJTUHHS-LJQANCHMSA-N 0 0 408.458 4.359 20 5 HIBDRN CCOc1ccc([C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C(C)C)cc1OCC ZINC000433852071 859934859 /nfs/dbraw/zinc/93/48/59/859934859.db2.gz FTKBRHAWLLMTPT-QGZVFWFLSA-N 0 0 418.494 4.366 20 5 HIBDRN O=C1[C@@H](N2CCC[C@H]2c2nc3ccccc3s2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000433955989 860000098 /nfs/dbraw/zinc/00/00/98/860000098.db2.gz AEFHXAWEBPFZOL-ROUUACIJSA-N 0 0 408.483 4.147 20 5 HIBDRN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433988585 860020387 /nfs/dbraw/zinc/02/03/87/860020387.db2.gz SFDSDKSBSYYKND-INIZCTEOSA-N 0 0 408.462 4.124 20 5 HIBDRN CN(Cc1cc(Cl)ccc1F)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000433995838 860025325 /nfs/dbraw/zinc/02/53/25/860025325.db2.gz ZYUWXPLMNLSVRW-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN CC[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC000434016067 860042361 /nfs/dbraw/zinc/04/23/61/860042361.db2.gz FYSCQUBHKUHQMK-GFCCVEGCSA-N 0 0 414.384 4.048 20 5 HIBDRN COc1ccc(-c2ccc(CNC(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])s2)cc1 ZINC000434028397 860049420 /nfs/dbraw/zinc/04/94/20/860049420.db2.gz STIKJNQTQMPEFR-UHFFFAOYSA-N 0 0 400.460 4.108 20 5 HIBDRN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000434079627 860089319 /nfs/dbraw/zinc/08/93/19/860089319.db2.gz RHOCGTRBTATZPE-UHFFFAOYSA-N 0 0 405.414 4.112 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(Cl)c(F)c1 ZINC000434131947 860130516 /nfs/dbraw/zinc/13/05/16/860130516.db2.gz NHYVEMGHHXLWRI-OAHLLOKOSA-N 0 0 423.828 4.430 20 5 HIBDRN Cc1nnc(Sc2ccc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])c(C)c2)s1 ZINC000434179771 860172289 /nfs/dbraw/zinc/17/22/89/860172289.db2.gz NHODZXDHQHZFFJ-UHFFFAOYSA-N 0 0 418.504 4.313 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)c(F)c1 ZINC000434213355 860198613 /nfs/dbraw/zinc/19/86/13/860198613.db2.gz HFVGTSNOHGHDFN-INIZCTEOSA-N 0 0 409.801 4.122 20 5 HIBDRN COc1cc(C)ccc1Oc1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cn1 ZINC000434231764 860215113 /nfs/dbraw/zinc/21/51/13/860215113.db2.gz TWYZBEPZBILGIZ-UHFFFAOYSA-N 0 0 411.418 4.198 20 5 HIBDRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434231100 860215555 /nfs/dbraw/zinc/21/55/55/860215555.db2.gz KSIBTJWJJGRWMI-CQSZACIVSA-N 0 0 413.478 4.017 20 5 HIBDRN CCc1ccc(C(C)(C)NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000434239474 860221370 /nfs/dbraw/zinc/22/13/70/860221370.db2.gz KCUKSFJFMSSKOL-UHFFFAOYSA-N 0 0 408.401 4.432 20 5 HIBDRN COC(=O)[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)c1ccc(F)cc1 ZINC000434307574 860269588 /nfs/dbraw/zinc/26/95/88/860269588.db2.gz MGKIXSTVEMLMEW-OAQYLSRUSA-N 0 0 402.425 4.214 20 5 HIBDRN CC(C)Oc1ccc(Br)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000434334661 860296143 /nfs/dbraw/zinc/29/61/43/860296143.db2.gz KGPDXSNJYUBYCT-UHFFFAOYSA-N 0 0 409.236 4.162 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000467740515 881542787 /nfs/dbraw/zinc/54/27/87/881542787.db2.gz GXFRIOPFLANKOE-QRQLOZEOSA-N 0 0 406.548 4.499 20 5 HIBDRN C[C@@H](SCC(=O)C(C)(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434802227 860499588 /nfs/dbraw/zinc/49/95/88/860499588.db2.gz JYWTWEYIEGJOKE-LLVKDONJSA-N 0 0 407.517 4.394 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CSc3ncnc4c3cnn4-c3ccc(F)cc3)nc2c1 ZINC000434804369 860501302 /nfs/dbraw/zinc/50/13/02/860501302.db2.gz SLCQNOUDQLGZRY-UHFFFAOYSA-N 0 0 422.401 4.296 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000467749721 881555315 /nfs/dbraw/zinc/55/53/15/881555315.db2.gz QPFSMOINKAZTMU-XIVBQZFQSA-N 0 0 406.548 4.497 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000434973312 860581972 /nfs/dbraw/zinc/58/19/72/860581972.db2.gz MFFFHOXCIKJRFO-LBPRGKRZSA-N 0 0 414.409 4.159 20 5 HIBDRN CCOc1cc(NC(=O)NC[C@H](c2cccnc2)C(C)C)c([N+](=O)[O-])cc1OCC ZINC000435082793 860633597 /nfs/dbraw/zinc/63/35/97/860633597.db2.gz VZIFRHJRVGHOTE-INIZCTEOSA-N 0 0 416.478 4.349 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(F)c(F)cc1Br ZINC000435258012 860706051 /nfs/dbraw/zinc/70/60/51/860706051.db2.gz YWLPRMCSVYEDBP-UHFFFAOYSA-N 0 0 410.174 4.229 20 5 HIBDRN Cc1c(NC(=O)N2CCCC3(CCOCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435322642 860734839 /nfs/dbraw/zinc/73/48/39/860734839.db2.gz FNQZWYQCYZAXSI-UHFFFAOYSA-N 0 0 412.284 4.090 20 5 HIBDRN CC[C@H](C)n1nc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1C ZINC000435323516 860735069 /nfs/dbraw/zinc/73/50/69/860735069.db2.gz NAZCUXXXGKTRRL-VIFPVBQESA-N 0 0 410.272 4.786 20 5 HIBDRN Cc1c(NC(=O)N2Cc3ccccc3OC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435325369 860736278 /nfs/dbraw/zinc/73/62/78/860736278.db2.gz ZTCIIYMZXAMWPE-LLVKDONJSA-N 0 0 420.263 4.481 20 5 HIBDRN COCCC1(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CCCC1 ZINC000435325358 860736481 /nfs/dbraw/zinc/73/64/81/860736481.db2.gz ZRFZQAUUDASHAX-UHFFFAOYSA-N 0 0 414.300 4.384 20 5 HIBDRN CO[C@@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccccc1 ZINC000435325196 860736585 /nfs/dbraw/zinc/73/65/85/860736585.db2.gz ZEMLDSQWMDTBHB-INIZCTEOSA-N 0 0 408.252 4.175 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@]2(CO)CC(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435327807 860739188 /nfs/dbraw/zinc/73/91/88/860739188.db2.gz IVZFHEYMBZBSKJ-QGZVFWFLSA-N 0 0 414.300 4.071 20 5 HIBDRN Cc1c(NC(=O)N2CCC3(CCOCC3)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435327590 860739246 /nfs/dbraw/zinc/73/92/46/860739246.db2.gz HXNKSGRAUGSLPV-GFCCVEGCSA-N 0 0 412.284 4.089 20 5 HIBDRN CCc1ccc([C@@H](CO)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000435328531 860739919 /nfs/dbraw/zinc/73/99/19/860739919.db2.gz LJNXVNOWTGLHHQ-MRXNPFEDSA-N 0 0 422.279 4.083 20 5 HIBDRN Cc1c(NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc(Br)cc1[N+](=O)[O-] ZINC000435331249 860742238 /nfs/dbraw/zinc/74/22/38/860742238.db2.gz ZOGADBRWTATGLX-JTQLQIEISA-N 0 0 408.256 4.477 20 5 HIBDRN Cc1c(NC(=O)N[C@H](CCCO)c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000435331083 860742396 /nfs/dbraw/zinc/74/23/96/860742396.db2.gz YPEFPTDDZFPKMH-OAHLLOKOSA-N 0 0 422.279 4.301 20 5 HIBDRN Cc1cccc2[nH]c(CNC(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)nc21 ZINC000435334167 860745067 /nfs/dbraw/zinc/74/50/67/860745067.db2.gz XDULBNQQSCQRHA-UHFFFAOYSA-N 0 0 418.251 4.172 20 5 HIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000435337177 860747283 /nfs/dbraw/zinc/74/72/83/860747283.db2.gz TVRZCWNDTVEBMC-UHFFFAOYSA-N 0 0 419.268 4.441 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000435391971 860783147 /nfs/dbraw/zinc/78/31/47/860783147.db2.gz YYJIVTQLAAIAAG-SNVBAGLBSA-N 0 0 415.393 4.099 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(OCC2CCCC2)CC1 ZINC000435414886 860792149 /nfs/dbraw/zinc/79/21/49/860792149.db2.gz HARLAFRKINZGKQ-UHFFFAOYSA-N 0 0 403.523 4.298 20 5 HIBDRN CC(=O)NCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435441734 860799680 /nfs/dbraw/zinc/79/96/80/860799680.db2.gz HMDZJPNYRSVHSC-UHFFFAOYSA-N 0 0 407.517 4.443 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](COc1c(C)cccc1C)c1ccccc1 ZINC000435461999 860806800 /nfs/dbraw/zinc/80/68/00/860806800.db2.gz FLKYHJDQLZBOFI-HXUWFJFHSA-N 0 0 422.485 4.043 20 5 HIBDRN CC(C)[C@@H](C)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435486524 860816694 /nfs/dbraw/zinc/81/66/94/860816694.db2.gz IGURSPIYMHWUPM-GFCCVEGCSA-N 0 0 407.517 4.249 20 5 HIBDRN CC1(C)CCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435489469 860818697 /nfs/dbraw/zinc/81/86/97/860818697.db2.gz KIICYMYSAOEOGA-UHFFFAOYSA-N 0 0 405.501 4.147 20 5 HIBDRN CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435506949 860827499 /nfs/dbraw/zinc/82/74/99/860827499.db2.gz XXVCKMYEWHAFPI-RYUDHWBXSA-N 0 0 407.517 4.297 20 5 HIBDRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000435528313 860845034 /nfs/dbraw/zinc/84/50/34/860845034.db2.gz VKUXHTXYSVHDEA-FQEVSTJZSA-N 0 0 424.428 4.465 20 5 HIBDRN COc1cccc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c1[N+](=O)[O-] ZINC000435534776 860849868 /nfs/dbraw/zinc/84/98/68/860849868.db2.gz AOVCZCSRVMRZFA-UHFFFAOYSA-N 0 0 411.458 4.052 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)c1[N+](=O)[O-] ZINC000435556981 860877490 /nfs/dbraw/zinc/87/74/90/860877490.db2.gz PPDTXXQUWDPGMO-UHFFFAOYSA-N 0 0 421.457 4.149 20 5 HIBDRN CCOC(=O)c1c(NC(=O)c2cccc(OC)c2[N+](=O)[O-])sc2c1CCCCC2 ZINC000435558815 860878772 /nfs/dbraw/zinc/87/87/72/860878772.db2.gz NTRUQRPSEZVISS-UHFFFAOYSA-N 0 0 418.471 4.363 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000435587196 860898000 /nfs/dbraw/zinc/89/80/00/860898000.db2.gz BNPHMKQXMTTYIT-UMSPYCQHSA-N 0 0 420.434 4.437 20 5 HIBDRN Cc1cc(N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000435589422 860898334 /nfs/dbraw/zinc/89/83/34/860898334.db2.gz QEFFBCMFOLMWOC-KGLIPLIRSA-N 0 0 410.312 4.259 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000435600211 860904455 /nfs/dbraw/zinc/90/44/55/860904455.db2.gz ZIYQGJYUNLOQEY-MQMHXKEQSA-N 0 0 414.405 4.375 20 5 HIBDRN COc1cccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1[N+](=O)[O-] ZINC000435653384 860936245 /nfs/dbraw/zinc/93/62/45/860936245.db2.gz GIMKPSMYOALGTK-UHFFFAOYSA-N 0 0 414.487 4.175 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000435662020 860939716 /nfs/dbraw/zinc/93/97/16/860939716.db2.gz HKAREMMIMXDGQX-UHFFFAOYSA-N 0 0 406.398 4.500 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1[N+](=O)[O-] ZINC000435659808 860939834 /nfs/dbraw/zinc/93/98/34/860939834.db2.gz OPPUJROMDYWZKP-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1[N+](=O)[O-] ZINC000435691018 860972155 /nfs/dbraw/zinc/97/21/55/860972155.db2.gz CPKSYNWVPRCGIP-UHFFFAOYSA-N 0 0 417.421 4.059 20 5 HIBDRN C[C@H](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000467783638 881604742 /nfs/dbraw/zinc/60/47/42/881604742.db2.gz FYQNPEKQGLAKCL-CYBMUJFWSA-N 0 0 416.421 4.227 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1F ZINC000435813176 861079339 /nfs/dbraw/zinc/07/93/39/861079339.db2.gz DWTOAJXMSHGKEI-LBPRGKRZSA-N 0 0 408.404 4.459 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(Br)cc(OC(C)C)c2)c1[N+](=O)[O-] ZINC000435815494 861080591 /nfs/dbraw/zinc/08/05/91/861080591.db2.gz CZGQGEZSAARLJE-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN COc1cc(N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c([N+](=O)[O-])cc1F ZINC000467790085 881611203 /nfs/dbraw/zinc/61/12/03/881611203.db2.gz VJNDJBUAHNCJIJ-LJQANCHMSA-N 0 0 419.840 4.348 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000435818051 861083556 /nfs/dbraw/zinc/08/35/56/861083556.db2.gz QMYUJYMAZRHFRO-UHFFFAOYSA-N 0 0 407.376 4.170 20 5 HIBDRN CCOc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1OC ZINC000435819119 861083719 /nfs/dbraw/zinc/08/37/19/861083719.db2.gz PKBJLFXVNSPDRJ-UHFFFAOYSA-N 0 0 406.413 4.480 20 5 HIBDRN C[C@@H]1C[C@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435832781 861094950 /nfs/dbraw/zinc/09/49/50/861094950.db2.gz CSHWUKFOESOSRX-NEPJUHHUSA-N 0 0 405.501 4.003 20 5 HIBDRN CCN(CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1cccc(C)c1 ZINC000435833747 861097029 /nfs/dbraw/zinc/09/70/29/861097029.db2.gz FYMFBJBXERXDLC-UHFFFAOYSA-N 0 0 417.484 4.385 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000435842515 861102855 /nfs/dbraw/zinc/10/28/55/861102855.db2.gz CRQRERIITZRDRG-STQMWFEESA-N 0 0 417.512 4.005 20 5 HIBDRN C[C@H](c1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1)N1CCOCC1 ZINC000437763029 863082680 /nfs/dbraw/zinc/08/26/80/863082680.db2.gz KCPNTDWTLLQAHT-QGZVFWFLSA-N 0 0 424.501 4.185 20 5 HIBDRN COC(=O)C(C)(C)c1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000437822036 863163832 /nfs/dbraw/zinc/16/38/32/863163832.db2.gz NOWFHTBNYYOOMA-UHFFFAOYSA-N 0 0 423.372 4.291 20 5 HIBDRN CCOc1cccc2[nH]cc(CC(=O)Nc3cc(C)nn3-c3ccc([N+](=O)[O-])cc3)c21 ZINC000437827679 863175308 /nfs/dbraw/zinc/17/53/08/863175308.db2.gz IBQWXCWZBAKPBM-UHFFFAOYSA-N 0 0 419.441 4.150 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000437929163 863305984 /nfs/dbraw/zinc/30/59/84/863305984.db2.gz ICCUWFBUBQRLMZ-MRXNPFEDSA-N 0 0 408.376 4.087 20 5 HIBDRN CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000437931328 863307215 /nfs/dbraw/zinc/30/72/15/863307215.db2.gz XSTBWMYJOPQGPD-OAHLLOKOSA-N 0 0 406.236 4.345 20 5 HIBDRN O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437949828 863323119 /nfs/dbraw/zinc/32/31/19/863323119.db2.gz DUBGUAPAVRLYQD-SFHVURJKSA-N 0 0 412.465 4.077 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438003070 863363851 /nfs/dbraw/zinc/36/38/51/863363851.db2.gz QOZJTSNVJQHMCQ-RTWAWAEBSA-N 0 0 413.449 4.328 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438003071 863364142 /nfs/dbraw/zinc/36/41/42/863364142.db2.gz QOZJTSNVJQHMCQ-SFTDATJTSA-N 0 0 413.449 4.328 20 5 HIBDRN O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438010274 863370322 /nfs/dbraw/zinc/37/03/22/863370322.db2.gz XDHCJTOSZSFXCF-JOCHJYFZSA-N 0 0 423.469 4.191 20 5 HIBDRN CC(C)c1ccc(C(=O)N(CCc2ccccn2)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000438073295 863460022 /nfs/dbraw/zinc/46/00/22/863460022.db2.gz MBOUBRQITVJLAN-UHFFFAOYSA-N 0 0 404.470 4.393 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)cc1SC ZINC000438142335 863563052 /nfs/dbraw/zinc/56/30/52/863563052.db2.gz GSXPLTPTBSWIDH-CLUVUEOHSA-N 0 0 402.472 4.008 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000438237980 863684297 /nfs/dbraw/zinc/68/42/97/863684297.db2.gz UJNYJSFHYUKWRI-VLIAUNLRSA-N 0 0 418.877 4.303 20 5 HIBDRN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000438238363 863689738 /nfs/dbraw/zinc/68/97/38/863689738.db2.gz UJJFFYIBTMLSSL-OYHNWAKOSA-N 0 0 423.469 4.131 20 5 HIBDRN CC[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cccc(C(F)(F)F)c1 ZINC000438315450 863794836 /nfs/dbraw/zinc/79/48/36/863794836.db2.gz LPAAZOXQYUBATN-WBVHZDCISA-N 0 0 422.407 4.215 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000438387540 863840737 /nfs/dbraw/zinc/84/07/37/863840737.db2.gz XDHGMBPOKZSUMF-XQQFMLRXSA-N 0 0 407.517 4.149 20 5 HIBDRN O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000467851984 881701436 /nfs/dbraw/zinc/70/14/36/881701436.db2.gz DOAOHSZXAYGFJO-UHFFFAOYSA-N 0 0 414.824 4.249 20 5 HIBDRN O=C(NCc1ccc(Sc2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000438411148 863853740 /nfs/dbraw/zinc/85/37/40/863853740.db2.gz XHSHVUGSLZMFJH-UHFFFAOYSA-N 0 0 407.451 4.001 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000438462101 863885628 /nfs/dbraw/zinc/88/56/28/863885628.db2.gz RSWNIHGMTAOXKC-VXGBXAGGSA-N 0 0 404.385 4.101 20 5 HIBDRN O=C(NC1CCC2(CCOCC2)CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000438467098 863888376 /nfs/dbraw/zinc/88/83/76/863888376.db2.gz PBYOKVBNMVXOTJ-UHFFFAOYSA-N 0 0 416.396 4.005 20 5 HIBDRN O=C(Nc1ccnc(Oc2ccccc2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438487798 863905311 /nfs/dbraw/zinc/90/53/11/863905311.db2.gz BIIDXLVMFDVTCV-UHFFFAOYSA-N 0 0 419.441 4.136 20 5 HIBDRN COC(=O)[C@@H](CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)CC(C)C ZINC000438488632 863907209 /nfs/dbraw/zinc/90/72/09/863907209.db2.gz HIUCSXFHUVNALS-OAHLLOKOSA-N 0 0 415.446 4.344 20 5 HIBDRN CC1(C)CCC[C@@](O)(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000438499537 863921475 /nfs/dbraw/zinc/92/14/75/863921475.db2.gz WRUKZVWJFYWDHI-QHCPKHFHSA-N 0 0 414.452 4.021 20 5 HIBDRN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000438546452 863973784 /nfs/dbraw/zinc/97/37/84/863973784.db2.gz MFBNAIOILWRGAV-UWVGGRQHSA-N 0 0 409.202 4.456 20 5 HIBDRN COCCO[C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000438550386 863979647 /nfs/dbraw/zinc/97/96/47/863979647.db2.gz ANZXHVMLOSJZKP-INIZCTEOSA-N 0 0 406.866 4.278 20 5 HIBDRN CSc1ccc(C)c(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000438645151 864082464 /nfs/dbraw/zinc/08/24/64/864082464.db2.gz CIMABIMPSYYUAJ-UHFFFAOYSA-N 0 0 401.488 4.001 20 5 HIBDRN CCCn1ccc2ccc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc21 ZINC000438654224 864096268 /nfs/dbraw/zinc/09/62/68/864096268.db2.gz FWBJVCNPLUEDEO-UHFFFAOYSA-N 0 0 422.485 4.335 20 5 HIBDRN O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000438686106 864152250 /nfs/dbraw/zinc/15/22/50/864152250.db2.gz BYAUEZSITHOTDV-GDBMZVCRSA-N 0 0 403.276 4.499 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438692635 864160366 /nfs/dbraw/zinc/16/03/66/864160366.db2.gz QHQBUGFUQOGILE-MSOLQXFVSA-N 0 0 405.454 4.049 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438692636 864160749 /nfs/dbraw/zinc/16/07/49/864160749.db2.gz QHQBUGFUQOGILE-QZTJIDSGSA-N 0 0 405.454 4.049 20 5 HIBDRN Cc1cc(C)n(Cc2cccc(-c3noc(CN(C)c4ccccc4[N+](=O)[O-])n3)c2)n1 ZINC000438739073 864224291 /nfs/dbraw/zinc/22/42/91/864224291.db2.gz RFSDCUWTGKAVCY-UHFFFAOYSA-N 0 0 418.457 4.143 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)N(C)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000438803658 864294198 /nfs/dbraw/zinc/29/41/98/864294198.db2.gz GSCJNHUKTHXQOE-GFCCVEGCSA-N 0 0 413.293 4.047 20 5 HIBDRN Cc1ccc(C)c(N(C)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000438804831 864296038 /nfs/dbraw/zinc/29/60/38/864296038.db2.gz YOCVEYPBKWSXLP-UHFFFAOYSA-N 0 0 413.293 4.108 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2cc(Br)ccn2)cc1[N+](=O)[O-] ZINC000438816226 864308905 /nfs/dbraw/zinc/30/89/05/864308905.db2.gz AZRXPWOJLQWHHJ-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN Cc1c(CC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cccc1[N+](=O)[O-] ZINC000438900411 864381287 /nfs/dbraw/zinc/38/12/87/864381287.db2.gz GBZDUIKKWAYPJX-UHFFFAOYSA-N 0 0 421.428 4.154 20 5 HIBDRN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000438915856 864394951 /nfs/dbraw/zinc/39/49/51/864394951.db2.gz ABCRGIKSMKWUCV-GPMSIDNRSA-N 0 0 402.834 4.338 20 5 HIBDRN Cc1ccc(Br)cc1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000438924323 864403289 /nfs/dbraw/zinc/40/32/89/864403289.db2.gz XDFQMDRJMCEQDU-UHFFFAOYSA-N 0 0 402.248 4.006 20 5 HIBDRN COc1cccc(-c2cc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])n(C)n2)c1 ZINC000438947869 864421117 /nfs/dbraw/zinc/42/11/17/864421117.db2.gz BZIZMUKLONHALR-UHFFFAOYSA-N 0 0 400.822 4.218 20 5 HIBDRN CC(C)c1ccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000438969260 864435519 /nfs/dbraw/zinc/43/55/19/864435519.db2.gz PTBOLOBURGDYGJ-UHFFFAOYSA-N 0 0 407.426 4.494 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438968602 864435542 /nfs/dbraw/zinc/43/55/42/864435542.db2.gz OIUOLIDDYHOILR-UHFFFAOYSA-N 0 0 412.339 4.436 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000438974067 864440257 /nfs/dbraw/zinc/44/02/57/864440257.db2.gz LTMAQEKWCLDGIM-OAQYLSRUSA-N 0 0 407.470 4.306 20 5 HIBDRN COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(OCc2ccccc2)c1 ZINC000439022527 864475823 /nfs/dbraw/zinc/47/58/23/864475823.db2.gz SGCVXFDTDUNQHY-UHFFFAOYSA-N 0 0 408.410 4.200 20 5 HIBDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000439022981 864477758 /nfs/dbraw/zinc/47/77/58/864477758.db2.gz VJXQJFZAPOHBGE-IKGGRYGDSA-N 0 0 416.499 4.267 20 5 HIBDRN Cc1c(CC(=O)Nc2ccnn2Cc2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000439089081 864536059 /nfs/dbraw/zinc/53/60/59/864536059.db2.gz VQJGKYCETDHKGA-UHFFFAOYSA-N 0 0 400.438 4.482 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000439106911 864544881 /nfs/dbraw/zinc/54/48/81/864544881.db2.gz JTGMAJNBVHZOFG-LJQANCHMSA-N 0 0 416.840 4.291 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000439106908 864544909 /nfs/dbraw/zinc/54/49/09/864544909.db2.gz JTGMAJNBVHZOFG-IBGZPJMESA-N 0 0 416.840 4.291 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000439112952 864550098 /nfs/dbraw/zinc/55/00/98/864550098.db2.gz DWMOBYLGKJBSOB-UHFFFAOYSA-N 0 0 401.507 4.019 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000439124254 864559936 /nfs/dbraw/zinc/55/99/36/864559936.db2.gz PEAARCRTAOJSCX-HNNXBMFYSA-N 0 0 409.486 4.265 20 5 HIBDRN COCCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000439144340 864576876 /nfs/dbraw/zinc/57/68/76/864576876.db2.gz AVRLFXLQNXYRDW-UHFFFAOYSA-N 0 0 402.447 4.029 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)cc1OC ZINC000439168648 864597861 /nfs/dbraw/zinc/59/78/61/864597861.db2.gz PBUQASRGZGDCFY-SJLPKXTDSA-N 0 0 408.495 4.106 20 5 HIBDRN Cc1c(CC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cccc1[N+](=O)[O-] ZINC000439178718 864607607 /nfs/dbraw/zinc/60/76/07/864607607.db2.gz MLLOCMRVVVJJRC-CYBMUJFWSA-N 0 0 413.421 4.327 20 5 HIBDRN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000439221995 864639278 /nfs/dbraw/zinc/63/92/78/864639278.db2.gz JIVBXMFTKLKAFY-HNNXBMFYSA-N 0 0 417.487 4.037 20 5 HIBDRN Cc1nc(C)n(-c2ccccc2NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 ZINC000439253599 864670023 /nfs/dbraw/zinc/67/00/23/864670023.db2.gz SJLHFSMXPQWNCJ-UHFFFAOYSA-N 0 0 414.425 4.107 20 5 HIBDRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC000439261687 864680021 /nfs/dbraw/zinc/68/00/21/864680021.db2.gz WECFFDHNCFGFMR-UHFFFAOYSA-N 0 0 411.801 4.349 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000439294611 864720367 /nfs/dbraw/zinc/72/03/67/864720367.db2.gz LSWZHQUXTJBWAW-DHIUTWEWSA-N 0 0 423.513 4.474 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc(-c2ccccc2)n1 ZINC000439296454 864722220 /nfs/dbraw/zinc/72/22/20/864722220.db2.gz OYWLKMVSBRGZLK-UHFFFAOYSA-N 0 0 403.442 4.213 20 5 HIBDRN CCN(Cc1ccccc1Br)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000439373933 864807887 /nfs/dbraw/zinc/80/78/87/864807887.db2.gz GJBKURCHZDPGPT-UHFFFAOYSA-N 0 0 408.252 4.420 20 5 HIBDRN CC(C)[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000439445571 864834389 /nfs/dbraw/zinc/83/43/89/864834389.db2.gz CYCKRJRFZTXQJK-INIZCTEOSA-N 0 0 409.364 4.066 20 5 HIBDRN Cn1cncc1COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000439562560 864887514 /nfs/dbraw/zinc/88/75/14/864887514.db2.gz SGECVUQYCLCPGF-UHFFFAOYSA-N 0 0 421.240 4.466 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc([C@@H]4CCC(F)(F)C4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000439568608 864891826 /nfs/dbraw/zinc/89/18/26/864891826.db2.gz ITVACBUZCRJOCZ-OAHLLOKOSA-N 0 0 403.389 4.409 20 5 HIBDRN Cc1nn(CCC(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000439656823 864983853 /nfs/dbraw/zinc/98/38/53/864983853.db2.gz VYKDDSWRKIZVKO-QGZVFWFLSA-N 0 0 412.412 4.331 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000439680765 865016221 /nfs/dbraw/zinc/01/62/21/865016221.db2.gz GOTXXTQHGNXYSN-IBGZPJMESA-N 0 0 419.485 4.051 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000467972493 881828794 /nfs/dbraw/zinc/82/87/94/881828794.db2.gz ATJKEFGDZCESNL-UHFFFAOYSA-N 0 0 414.368 4.425 20 5 HIBDRN Cc1cc(NCc2cc(N(C)C)nc3ccccc23)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439714938 865052023 /nfs/dbraw/zinc/05/20/23/865052023.db2.gz MKILGBMVOMNQFX-UHFFFAOYSA-N 0 0 414.469 4.008 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000439731740 865064135 /nfs/dbraw/zinc/06/41/35/865064135.db2.gz KRYXBMAIWDBUGI-GFCCVEGCSA-N 0 0 413.455 4.024 20 5 HIBDRN COc1ccc(Sc2nsc(NC(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1 ZINC000439744376 865076337 /nfs/dbraw/zinc/07/63/37/865076337.db2.gz JGKNOFJBXQZSPZ-UHFFFAOYSA-N 0 0 402.457 4.167 20 5 HIBDRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467986097 881835041 /nfs/dbraw/zinc/83/50/41/881835041.db2.gz VQHGQTFMAIREIO-LBPRGKRZSA-N 0 0 409.255 4.034 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000439832924 865148313 /nfs/dbraw/zinc/14/83/13/865148313.db2.gz MLCHUNLGGLEQAE-INIZCTEOSA-N 0 0 404.385 4.243 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCCO)Cc1cccc(Cl)c1 ZINC000439871122 865181031 /nfs/dbraw/zinc/18/10/31/865181031.db2.gz JCASVRYGSYAVDR-UHFFFAOYSA-N 0 0 407.854 4.063 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1 ZINC000439880134 865192261 /nfs/dbraw/zinc/19/22/61/865192261.db2.gz JBHTUHFARUDGOD-CYBMUJFWSA-N 0 0 403.435 4.284 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000439887699 865200352 /nfs/dbraw/zinc/20/03/52/865200352.db2.gz LFFQBQXIANARMF-AWEZNQCLSA-N 0 0 405.838 4.332 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000439889298 865202035 /nfs/dbraw/zinc/20/20/35/865202035.db2.gz VAJFTXMDCBBWHR-GOSISDBHSA-N 0 0 405.838 4.252 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000439889780 865202173 /nfs/dbraw/zinc/20/21/73/865202173.db2.gz WWPZCPBBVUFUCG-CQSZACIVSA-N 0 0 409.446 4.370 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC([C@H]3CCCO3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000439894346 865206986 /nfs/dbraw/zinc/20/69/86/865206986.db2.gz CULZOZYZYJLPGJ-KSFYIVLOSA-N 0 0 424.501 4.194 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000439916930 865224941 /nfs/dbraw/zinc/22/49/41/865224941.db2.gz RNLOVXIIYSHBNJ-UHFFFAOYSA-N 0 0 419.865 4.474 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000439921724 865227220 /nfs/dbraw/zinc/22/72/20/865227220.db2.gz ZBKKMHYQLPLGFT-NSHDSACASA-N 0 0 415.381 4.065 20 5 HIBDRN Cc1ccc(NCCCNC(=O)Nc2cc(-c3ccnn3C)ccc2C)c([N+](=O)[O-])c1 ZINC000439978677 865275592 /nfs/dbraw/zinc/27/55/92/865275592.db2.gz REPYEVIEXUQLGN-UHFFFAOYSA-N 0 0 422.489 4.236 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1Cl)C(C)C ZINC000440060944 865331857 /nfs/dbraw/zinc/33/18/57/865331857.db2.gz JCTVMCPDWQPKEP-GOSISDBHSA-N 0 0 419.865 4.099 20 5 HIBDRN CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1cc2c(cc1OC)CCC(=O)N2 ZINC000468033527 881864530 /nfs/dbraw/zinc/86/45/30/881864530.db2.gz LKTPTDDDRMJTAM-CQSZACIVSA-N 0 0 401.488 4.471 20 5 HIBDRN Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)c1 ZINC000440242471 865479812 /nfs/dbraw/zinc/47/98/12/865479812.db2.gz OWMVWKZMQLUZMI-UHFFFAOYSA-N 0 0 419.437 4.368 20 5 HIBDRN Cc1ccccc1COc1cccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000440333982 865611429 /nfs/dbraw/zinc/61/14/29/865611429.db2.gz GHGBNXKYRPPGSP-UHFFFAOYSA-N 0 0 405.410 4.059 20 5 HIBDRN Cc1nc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)ccc1[N+](=O)[O-] ZINC000440406182 865699187 /nfs/dbraw/zinc/69/91/87/865699187.db2.gz GCZVXWKEFGVGRW-UHFFFAOYSA-N 0 0 406.402 4.136 20 5 HIBDRN O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440429656 865730919 /nfs/dbraw/zinc/73/09/19/865730919.db2.gz KYKHUGZKDDWVFA-OAHLLOKOSA-N 0 0 422.462 4.316 20 5 HIBDRN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000440432785 865734767 /nfs/dbraw/zinc/73/47/67/865734767.db2.gz KWYLJHFEGOTCQU-OAHLLOKOSA-N 0 0 414.483 4.161 20 5 HIBDRN CCOc1cc(NC(=O)c2coc3ccc(OC)cc23)c([N+](=O)[O-])cc1OCC ZINC000440446203 865748060 /nfs/dbraw/zinc/74/80/60/865748060.db2.gz AZOKUAOFQFALMO-UHFFFAOYSA-N 0 0 400.387 4.399 20 5 HIBDRN Cc1nc(-c2ccc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)cc2)cs1 ZINC000440455451 865759712 /nfs/dbraw/zinc/75/97/12/865759712.db2.gz UOQAINBOEVAJAP-UHFFFAOYSA-N 0 0 411.439 4.440 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2ccc3c(c2)ncn3C)cc1[N+](=O)[O-])c1ccccn1 ZINC000440535470 865808380 /nfs/dbraw/zinc/80/83/80/865808380.db2.gz VXWAJGGJXJWUOQ-AWEZNQCLSA-N 0 0 416.441 4.302 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(F)c1 ZINC000440605812 865834100 /nfs/dbraw/zinc/83/41/00/865834100.db2.gz YVNWKXHWIXHVFE-UHFFFAOYSA-N 0 0 407.686 4.200 20 5 HIBDRN COc1ccc2c(c1)C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)CO2 ZINC000440616506 865840639 /nfs/dbraw/zinc/84/06/39/865840639.db2.gz SEBGGJDSWKWUCJ-IBGZPJMESA-N 0 0 418.449 4.388 20 5 HIBDRN O=C(NCCCOC1CCOCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440617294 865841497 /nfs/dbraw/zinc/84/14/97/865841497.db2.gz SXGTVHQZBYEMKG-UHFFFAOYSA-N 0 0 416.499 4.062 20 5 HIBDRN Cc1c2cc(Cl)ccc2sc1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000440642805 865854180 /nfs/dbraw/zinc/85/41/80/865854180.db2.gz MHVUMVUPJRTZIR-UHFFFAOYSA-N 0 0 411.892 4.031 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccsc2)c2cccnc2)cc1OC ZINC000440722403 865874963 /nfs/dbraw/zinc/87/49/63/865874963.db2.gz PXVYIZGNNCHSQH-UHFFFAOYSA-N 0 0 413.455 4.306 20 5 HIBDRN COC(=O)c1cc(N2CCC[C@H]2c2ccc(OC)cc2OC)cc(C)c1[N+](=O)[O-] ZINC000440734162 865880347 /nfs/dbraw/zinc/88/03/47/865880347.db2.gz SQSKEFBREBXJLE-SFHVURJKSA-N 0 0 400.431 4.049 20 5 HIBDRN NC(=O)Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 ZINC000440762564 865894803 /nfs/dbraw/zinc/89/48/03/865894803.db2.gz PQNWMLALWNJSAK-UHFFFAOYSA-N 0 0 407.451 4.026 20 5 HIBDRN C[C@@H](NC(=O)NCc1cccc(COCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000440799034 865920902 /nfs/dbraw/zinc/92/09/02/865920902.db2.gz AMZMNUJZZRMAIK-CYBMUJFWSA-N 0 0 411.380 4.234 20 5 HIBDRN C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(OC(F)(F)F)c1 ZINC000440801702 865923089 /nfs/dbraw/zinc/92/30/89/865923089.db2.gz RHNXWQVXCUDJQJ-SNVBAGLBSA-N 0 0 421.331 4.238 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N2CC[C@H](C)Sc3ccccc32)c([N+](=O)[O-])c1 ZINC000440848681 865955576 /nfs/dbraw/zinc/95/55/76/865955576.db2.gz YHJYWGALGHFTGQ-ZDUSSCGKSA-N 0 0 400.456 4.094 20 5 HIBDRN CO[C@@H](CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000440877192 865973461 /nfs/dbraw/zinc/97/34/61/865973461.db2.gz SIEXYLVKJZPUSK-INIZCTEOSA-N 0 0 414.405 4.443 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000440880710 865976934 /nfs/dbraw/zinc/97/69/34/865976934.db2.gz ZPEASVBDQQBUOG-SNVBAGLBSA-N 0 0 411.241 4.360 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N[C@@H](c2cccs2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000440885086 865980084 /nfs/dbraw/zinc/98/00/84/865980084.db2.gz WXLTZQNTZJJOMJ-OAQYLSRUSA-N 0 0 410.451 4.144 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441061798 866143157 /nfs/dbraw/zinc/14/31/57/866143157.db2.gz JROSDXGRTXJWOS-LLVKDONJSA-N 0 0 401.410 4.458 20 5 HIBDRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000441265014 866339887 /nfs/dbraw/zinc/33/98/87/866339887.db2.gz YWAKICZPSYWZFE-ICSRJNTNSA-N 0 0 409.486 4.253 20 5 HIBDRN CC[C@](C)(COc1ncccc1Cl)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000441306804 866378817 /nfs/dbraw/zinc/37/88/17/866378817.db2.gz KGCKIIZPIMVBEH-LJQANCHMSA-N 0 0 417.853 4.031 20 5 HIBDRN CCO[C@H](C)c1nc(CN2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000441346427 866416995 /nfs/dbraw/zinc/41/69/95/866416995.db2.gz ADFPMYHFXHTXAX-JKSUJKDBSA-N 0 0 404.536 4.028 20 5 HIBDRN CCCN(C(=O)c1nn(CC(C)C)c(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000441427427 866503457 /nfs/dbraw/zinc/50/34/57/866503457.db2.gz GWMLICKEBJJHLI-UHFFFAOYSA-N 0 0 408.458 4.018 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](OC)C[C@@H]2C)cc1 ZINC000441427457 866504368 /nfs/dbraw/zinc/50/43/68/866504368.db2.gz HEWIOEGJLVWZDC-KSSFIOAISA-N 0 0 400.431 4.035 20 5 HIBDRN CCCN(C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 ZINC000441455564 866531711 /nfs/dbraw/zinc/53/17/11/866531711.db2.gz YXRQQNQROKCBHK-UHFFFAOYSA-N 0 0 413.518 4.061 20 5 HIBDRN CCCN(C(=O)c1cc(OC)c(Br)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000441482144 866562727 /nfs/dbraw/zinc/56/27/27/866562727.db2.gz BQYLPGUUTNWCDX-UHFFFAOYSA-N 0 0 423.263 4.431 20 5 HIBDRN CCNc1ccc(C(=O)N[C@@H](Cn2ccnc2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000441482223 866562841 /nfs/dbraw/zinc/56/28/41/866562841.db2.gz QPXKNZXWGDRUSS-FQEVSTJZSA-N 0 0 407.474 4.011 20 5 HIBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000441486017 866566913 /nfs/dbraw/zinc/56/69/13/866566913.db2.gz MFUFPTSZWGAAJP-LJQANCHMSA-N 0 0 405.445 4.151 20 5 HIBDRN COc1ccc(OCCN2CCCC[C@H]2c2nc(-c3ccccc3)no2)c([N+](=O)[O-])c1 ZINC000441488808 866571141 /nfs/dbraw/zinc/57/11/41/866571141.db2.gz IEKYQKRUZBVTGE-SFHVURJKSA-N 0 0 424.457 4.259 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000441529214 866606439 /nfs/dbraw/zinc/60/64/39/866606439.db2.gz IIOJTVHDKYWZMJ-QGZVFWFLSA-N 0 0 400.822 4.110 20 5 HIBDRN C[C@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441575497 866660657 /nfs/dbraw/zinc/66/06/57/866660657.db2.gz NUNCBEWEFVIOFR-SGTLLEGYSA-N 0 0 401.850 4.017 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000441782418 866855259 /nfs/dbraw/zinc/85/52/59/866855259.db2.gz AXXSSXHDXNSVDS-AWEZNQCLSA-N 0 0 418.519 4.258 20 5 HIBDRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000468166918 882042065 /nfs/dbraw/zinc/04/20/65/882042065.db2.gz ZJFXLQSEFNFPHA-IAGOWNOFSA-N 0 0 424.501 4.039 20 5 HIBDRN CCc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000468181987 882059043 /nfs/dbraw/zinc/05/90/43/882059043.db2.gz GBBKJTNWMWWJPD-ZDUSSCGKSA-N 0 0 414.849 4.402 20 5 HIBDRN CCN(c1ccccc1)c1ccc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000442367052 867353019 /nfs/dbraw/zinc/35/30/19/867353019.db2.gz SLIDDGPXVMXSIG-UHFFFAOYSA-N 0 0 418.453 4.008 20 5 HIBDRN CCc1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000468199473 882078267 /nfs/dbraw/zinc/07/82/67/882078267.db2.gz BZVSSBANHQRLEQ-UHFFFAOYSA-N 0 0 415.247 4.358 20 5 HIBDRN COc1ccccc1C(=O)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442632190 867575841 /nfs/dbraw/zinc/57/58/41/867575841.db2.gz ZFORUYFKPDMIMB-UHFFFAOYSA-N 0 0 422.462 4.367 20 5 HIBDRN C[C@]1(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCCC[C@H]1O ZINC000442677578 867612962 /nfs/dbraw/zinc/61/29/62/867612962.db2.gz CGRXSYOMOZMRGQ-TZIWHRDSSA-N 0 0 400.500 4.417 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000442747840 867661616 /nfs/dbraw/zinc/66/16/16/867661616.db2.gz AWLJCDSJIJWDDW-LSDHHAIUSA-N 0 0 414.483 4.017 20 5 HIBDRN O=C(NC[C@H](O)CCc1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442893464 867725791 /nfs/dbraw/zinc/72/57/91/867725791.db2.gz PZJIXWTWHQUALB-GOSISDBHSA-N 0 0 422.506 4.470 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCOC[C@@]23CCOC3)cc1 ZINC000443062623 867806704 /nfs/dbraw/zinc/80/67/04/867806704.db2.gz LVTGAFAATIDFFQ-FQEVSTJZSA-N 0 0 404.850 4.032 20 5 HIBDRN Cc1c(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)sc2ccc(Cl)cc12 ZINC000443331157 867908543 /nfs/dbraw/zinc/90/85/43/867908543.db2.gz DNNBAHQLXSLNMK-UHFFFAOYSA-N 0 0 417.874 4.335 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1ccc(-c2ccncc2)cc1F ZINC000443392539 867952092 /nfs/dbraw/zinc/95/20/92/867952092.db2.gz YHWCTIWSECHOHJ-GZTJUZNOSA-N 0 0 414.396 4.450 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[C@@H]1CCc2c1cccc2Cl ZINC000443399747 867959802 /nfs/dbraw/zinc/95/98/02/867959802.db2.gz OEUZCXWTZUFHHT-CQSZACIVSA-N 0 0 416.680 4.472 20 5 HIBDRN Cc1c(NC(=O)C2(c3ccc(I)cc3)CC2)cccc1[N+](=O)[O-] ZINC000443464140 868053761 /nfs/dbraw/zinc/05/37/61/868053761.db2.gz UTHQQKOGTKEIII-UHFFFAOYSA-N 0 0 422.222 4.178 20 5 HIBDRN COc1ccc([C@H](NCc2cc([N+](=O)[O-])ccc2OC)c2ccccc2OC)cc1 ZINC000443464083 868054288 /nfs/dbraw/zinc/05/42/88/868054288.db2.gz KQQLBUZQMNMMGJ-QHCPKHFHSA-N 0 0 408.454 4.500 20 5 HIBDRN C[C@H](Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000443474661 868061172 /nfs/dbraw/zinc/06/11/72/868061172.db2.gz JRNADERUNYKMIJ-SECBINFHSA-N 0 0 405.170 4.342 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)s1 ZINC000443514255 868077017 /nfs/dbraw/zinc/07/70/17/868077017.db2.gz YXDICTBOBKPHLH-UHFFFAOYSA-N 0 0 414.462 4.096 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000443526756 868083167 /nfs/dbraw/zinc/08/31/67/868083167.db2.gz AEJNYIAEHIEVFO-KRWDZBQOSA-N 0 0 408.414 4.187 20 5 HIBDRN CC[C@@]1(C)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCOC)cc2O1 ZINC000443573761 868128047 /nfs/dbraw/zinc/12/80/47/868128047.db2.gz KBQQCPOWOQPGHZ-FQEVSTJZSA-N 0 0 418.471 4.483 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H](Oc4ccccc4Cl)C3)o2)cc1 ZINC000443636662 868216643 /nfs/dbraw/zinc/21/66/43/868216643.db2.gz CLFFDXFOQZEEKU-INIZCTEOSA-N 0 0 414.849 4.342 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000468260229 882172402 /nfs/dbraw/zinc/17/24/02/882172402.db2.gz GXENQGGRKOPBAP-CQSZACIVSA-N 0 0 411.439 4.189 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000443689606 868292095 /nfs/dbraw/zinc/29/20/95/868292095.db2.gz XYIREESUKNJSKP-FQEVSTJZSA-N 0 0 416.886 4.457 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443706553 868298767 /nfs/dbraw/zinc/29/87/67/868298767.db2.gz KJKDTVLKGSWQCB-NSHDSACASA-N 0 0 403.287 4.424 20 5 HIBDRN Cc1ccsc1[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443742210 868319484 /nfs/dbraw/zinc/31/94/84/868319484.db2.gz GPIKNQKHJGNLFZ-LJQANCHMSA-N 0 0 416.524 4.368 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443798938 868337914 /nfs/dbraw/zinc/33/79/14/868337914.db2.gz IWPYBRVDRGXJJB-UHFFFAOYSA-N 0 0 411.727 4.100 20 5 HIBDRN CCOc1cc(NC(=O)[C@@H]2SCCc3sccc32)c([N+](=O)[O-])cc1OCC ZINC000443842533 868372200 /nfs/dbraw/zinc/37/22/00/868372200.db2.gz PWHUFRNZLWMXCG-QGZVFWFLSA-N 0 0 408.501 4.423 20 5 HIBDRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000443854376 868384896 /nfs/dbraw/zinc/38/48/96/868384896.db2.gz CMCCZUOVDFMAOT-UHFFFAOYSA-N 0 0 411.418 4.154 20 5 HIBDRN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443864906 868397097 /nfs/dbraw/zinc/39/70/97/868397097.db2.gz BRZWFINPYTXCSJ-CYBMUJFWSA-N 0 0 424.375 4.065 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ncnc4scc(-c5ccccc5)c43)C2)nc1 ZINC000443879644 868412047 /nfs/dbraw/zinc/41/20/47/868412047.db2.gz DKXNLCKBZOGWPD-HNNXBMFYSA-N 0 0 418.482 4.352 20 5 HIBDRN CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000443879287 868412485 /nfs/dbraw/zinc/41/24/85/868412485.db2.gz OPLQIHQYLNRIED-UHFFFAOYSA-N 0 0 409.364 4.252 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H](Cc2ccc(F)cc2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000443941837 868477637 /nfs/dbraw/zinc/47/76/37/868477637.db2.gz BVROQCIJRFIIMX-KRWDZBQOSA-N 0 0 404.438 4.090 20 5 HIBDRN Cn1ccnc1[C@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000443941340 868477703 /nfs/dbraw/zinc/47/77/03/868477703.db2.gz ALEGJVAXIGHGTR-LBPRGKRZSA-N 0 0 416.279 4.023 20 5 HIBDRN C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1ccc(Br)cc1 ZINC000443951553 868487845 /nfs/dbraw/zinc/48/78/45/868487845.db2.gz UJGNYBADKWCGMP-JTQLQIEISA-N 0 0 413.655 4.208 20 5 HIBDRN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000443956633 868492364 /nfs/dbraw/zinc/49/23/64/868492364.db2.gz JIYPFFHFBIWZTC-OAHLLOKOSA-N 0 0 418.881 4.274 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cc(Cl)c(Cl)cn3)cc2)c(C)c1[N+](=O)[O-] ZINC000443967847 868499078 /nfs/dbraw/zinc/49/90/78/868499078.db2.gz ZUYFCIJYKQGXJC-UHFFFAOYSA-N 0 0 420.256 4.411 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000443970997 868500478 /nfs/dbraw/zinc/50/04/78/868500478.db2.gz JSOZDVDUUJSPFK-UHFFFAOYSA-N 0 0 419.441 4.181 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000443970381 868500696 /nfs/dbraw/zinc/50/06/96/868500696.db2.gz IGVBQSBLGPSWBC-QMMMGPOBSA-N 0 0 409.290 4.135 20 5 HIBDRN CCNc1ccc(C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000443974893 868503107 /nfs/dbraw/zinc/50/31/07/868503107.db2.gz XCFJKPNZEXDWLU-HXUWFJFHSA-N 0 0 411.502 4.199 20 5 HIBDRN C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1cccc(Br)c1 ZINC000443990209 868514570 /nfs/dbraw/zinc/51/45/70/868514570.db2.gz SJHKWDXWJAWPOR-SNVBAGLBSA-N 0 0 413.655 4.208 20 5 HIBDRN Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000443991045 868514656 /nfs/dbraw/zinc/51/46/56/868514656.db2.gz VDVXIQKBAVVTKM-AWEZNQCLSA-N 0 0 406.357 4.014 20 5 HIBDRN O=C(Nc1cc(F)cc(F)c1Br)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000468275570 882197718 /nfs/dbraw/zinc/19/77/18/882197718.db2.gz AYPAQSVGISLVIA-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN O=C(NCCCNc1ccccc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444005504 868528756 /nfs/dbraw/zinc/52/87/56/868528756.db2.gz WYWYVDBKQDYYKB-UHFFFAOYSA-N 0 0 407.420 4.192 20 5 HIBDRN CS[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444021994 868548310 /nfs/dbraw/zinc/54/83/10/868548310.db2.gz PNSUQXRADLZEGB-CHWSQXEVSA-N 0 0 402.466 4.364 20 5 HIBDRN Cc1ccc(-c2nnc([C@@H](C)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)o2)cc1C ZINC000468279584 882201164 /nfs/dbraw/zinc/20/11/64/882201164.db2.gz CRGDTYFMQJZIIU-QGZVFWFLSA-N 0 0 407.474 4.145 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000444034603 868569894 /nfs/dbraw/zinc/56/98/94/868569894.db2.gz PMIIQERGKAMNQA-INIZCTEOSA-N 0 0 402.813 4.192 20 5 HIBDRN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444077324 868603933 /nfs/dbraw/zinc/60/39/33/868603933.db2.gz SVXLLANFHMGANA-NLFFAJNJSA-N 0 0 416.452 4.289 20 5 HIBDRN C[C@H](COCc1ccccc1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444082833 868606907 /nfs/dbraw/zinc/60/69/07/868606907.db2.gz AZZPENVYHJWUNA-OAHLLOKOSA-N 0 0 404.441 4.156 20 5 HIBDRN CCO[C@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C12CCC2 ZINC000444084447 868608558 /nfs/dbraw/zinc/60/85/58/868608558.db2.gz RSQNBVXSEYGVNC-OALUTQOASA-N 0 0 412.436 4.037 20 5 HIBDRN Cc1cccc(O[C@H](C)CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000444086191 868609499 /nfs/dbraw/zinc/60/94/99/868609499.db2.gz JBLORTWINRTEQB-CQSZACIVSA-N 0 0 422.431 4.465 20 5 HIBDRN COc1ccccc1O[C@@H](C)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444093748 868612706 /nfs/dbraw/zinc/61/27/06/868612706.db2.gz BKXOLIRWODMFNR-AWEZNQCLSA-N 0 0 420.440 4.026 20 5 HIBDRN O=C(NCCc1nc(C(F)(F)F)cs1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444123890 868630999 /nfs/dbraw/zinc/63/09/99/868630999.db2.gz SXGXEFSDSPPBAR-UHFFFAOYSA-N 0 0 417.412 4.129 20 5 HIBDRN Cc1ccc2c(CCNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cn(C)c2c1 ZINC000444127279 868632322 /nfs/dbraw/zinc/63/23/22/868632322.db2.gz VPZAGILTUQGGPS-UHFFFAOYSA-N 0 0 406.486 4.312 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1[N+](=O)[O-] ZINC000444169890 868647609 /nfs/dbraw/zinc/64/76/09/868647609.db2.gz LRIMEVOQSAJNOV-AWEZNQCLSA-N 0 0 401.422 4.389 20 5 HIBDRN Cc1nnc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1C ZINC000468289938 882212662 /nfs/dbraw/zinc/21/26/62/882212662.db2.gz ZKKCKRYRZFNGOQ-UHFFFAOYSA-N 0 0 403.851 4.089 20 5 HIBDRN O=C(NCC1(CCO)CCCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444230885 868679265 /nfs/dbraw/zinc/67/92/65/868679265.db2.gz AGBQDVKERYZHGL-UHFFFAOYSA-N 0 0 414.452 4.022 20 5 HIBDRN C[C@H](CC(=O)c1cccs1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444236224 868684359 /nfs/dbraw/zinc/68/43/59/868684359.db2.gz IHTPACVOUVYLCV-GFCCVEGCSA-N 0 0 408.454 4.273 20 5 HIBDRN O=C(NCc1csc(-c2ccco2)n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444235941 868684837 /nfs/dbraw/zinc/68/48/37/868684837.db2.gz JBHQRNIEFNLILR-UHFFFAOYSA-N 0 0 401.447 4.328 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](c2ccsc2)C1 ZINC000444238843 868687422 /nfs/dbraw/zinc/68/74/22/868687422.db2.gz GGZZKFDZCLPKKS-GOSISDBHSA-N 0 0 408.454 4.096 20 5 HIBDRN C[C@@H](Cc1cccc(O)c1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444243648 868692041 /nfs/dbraw/zinc/69/20/41/868692041.db2.gz HOFOTHFLYKCHAQ-LBPRGKRZSA-N 0 0 408.404 4.026 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000444244251 868692521 /nfs/dbraw/zinc/69/25/21/868692521.db2.gz MJUKQHOPSZFESS-ZWKOTPCHSA-N 0 0 414.477 4.460 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cs1 ZINC000444248757 868696443 /nfs/dbraw/zinc/69/64/43/868696443.db2.gz WGPCZRRWPRUXCB-AWEZNQCLSA-N 0 0 416.503 4.478 20 5 HIBDRN O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444253352 868699734 /nfs/dbraw/zinc/69/97/34/868699734.db2.gz XXNOCLPBBOUVHT-UHFFFAOYSA-N 0 0 416.387 4.602 20 5 HIBDRN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444253341 868699798 /nfs/dbraw/zinc/69/97/98/868699798.db2.gz XWLQEBUEVVYZJN-ZWKOTPCHSA-N 0 0 414.452 4.283 20 5 HIBDRN CC[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1c(C)noc1C ZINC000444257511 868702163 /nfs/dbraw/zinc/70/21/63/868702163.db2.gz PPXMELCHAYAJHU-KRWDZBQOSA-N 0 0 411.408 4.445 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCc2c(F)cccc2C1 ZINC000444258471 868702912 /nfs/dbraw/zinc/70/29/12/868702912.db2.gz HTOQJSPEEMYHFM-UHFFFAOYSA-N 0 0 408.379 4.297 20 5 HIBDRN CC(C)C[C@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCO1 ZINC000444286689 868716065 /nfs/dbraw/zinc/71/60/65/868716065.db2.gz KTBPMZFXHOTSOD-GJZGRUSLSA-N 0 0 414.452 4.283 20 5 HIBDRN CC1(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)Cc2ccccc2C1 ZINC000444287975 868718352 /nfs/dbraw/zinc/71/83/52/868718352.db2.gz KRFHBURNLWKSJU-UHFFFAOYSA-N 0 0 418.443 4.494 20 5 HIBDRN CC(C)C[C@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCO1 ZINC000444293679 868721944 /nfs/dbraw/zinc/72/19/44/868721944.db2.gz WZGXPEXHCZXJKK-HOTGVXAUSA-N 0 0 414.452 4.283 20 5 HIBDRN CCc1cnccc1[C@@H](C)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444293864 868723479 /nfs/dbraw/zinc/72/34/79/868723479.db2.gz VFZIXQFKZQCQCX-GFCCVEGCSA-N 0 0 407.420 4.408 20 5 HIBDRN O=C(Nc1cc(F)cc(F)c1Br)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000468296429 882220838 /nfs/dbraw/zinc/22/08/38/882220838.db2.gz NGVSNDNLBYKRJW-UHFFFAOYSA-N 0 0 408.158 4.436 20 5 HIBDRN Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)nn1[C@H](C)C1CC1 ZINC000444301294 868732219 /nfs/dbraw/zinc/73/22/19/868732219.db2.gz LSMLZVSXVKBDSB-GFCCVEGCSA-N 0 0 422.435 4.688 20 5 HIBDRN Cn1nc(C2CCCC2)cc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444301755 868732640 /nfs/dbraw/zinc/73/26/40/868732640.db2.gz GIFDPALXHCVAPD-UHFFFAOYSA-N 0 0 404.445 4.464 20 5 HIBDRN CC(C)(C)Oc1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cn1 ZINC000444304348 868736640 /nfs/dbraw/zinc/73/66/40/868736640.db2.gz GEHYLHWPPVFYAP-UHFFFAOYSA-N 0 0 401.466 4.184 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000444323613 868751695 /nfs/dbraw/zinc/75/16/95/868751695.db2.gz BUWGBYPLBHRPDC-VWLOTQADSA-N 0 0 414.436 4.092 20 5 HIBDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000444409637 868815263 /nfs/dbraw/zinc/81/52/63/868815263.db2.gz KMDYAUKHWOXJDZ-SCLBCKFNSA-N 0 0 406.891 4.329 20 5 HIBDRN CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(OCc2ccccc2)cc1 ZINC000444465700 868839707 /nfs/dbraw/zinc/83/97/07/868839707.db2.gz SGJVJZGUTQAEJU-UHFFFAOYSA-N 0 0 402.410 4.327 20 5 HIBDRN O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000444467587 868840941 /nfs/dbraw/zinc/84/09/41/868840941.db2.gz OEFXWKFKVSEXAU-MEDUHNTESA-N 0 0 402.394 4.023 20 5 HIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444593548 868894493 /nfs/dbraw/zinc/89/44/93/868894493.db2.gz SBBJERCELLLXSE-UHFFFAOYSA-N 0 0 404.474 4.214 20 5 HIBDRN CC(C)(C)n1ncc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1-c1ccccc1 ZINC000444632813 868921582 /nfs/dbraw/zinc/92/15/82/868921582.db2.gz HQWYCDYGRJUMDB-UHFFFAOYSA-N 0 0 418.457 4.020 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000444632690 868921813 /nfs/dbraw/zinc/92/18/13/868921813.db2.gz PWXSIZJIIOAFMB-OLZOCXBDSA-N 0 0 405.241 4.198 20 5 HIBDRN C[C@H]1CCC[C@H](OCCCCCC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444639654 868925298 /nfs/dbraw/zinc/92/52/98/868925298.db2.gz ZMSMRXFDPWYKTJ-RDJZCZTQSA-N 0 0 402.495 4.243 20 5 HIBDRN C[C@@H](N[C@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000444664605 868944485 /nfs/dbraw/zinc/94/44/85/868944485.db2.gz MSZCIRWKUSYZMX-VXGBXAGGSA-N 0 0 403.389 4.017 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000444675227 868952707 /nfs/dbraw/zinc/95/27/07/868952707.db2.gz LZENMHDQOKTBCS-KRWDZBQOSA-N 0 0 416.547 4.486 20 5 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ZINC000446978659 870874995 /nfs/dbraw/zinc/87/49/95/870874995.db2.gz DQGWMSLRWFLARM-UHFFFAOYSA-N 0 0 400.385 4.190 20 5 HIBDRN Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447030278 870905350 /nfs/dbraw/zinc/90/53/50/870905350.db2.gz UUQVKFUDRHRICO-MRXNPFEDSA-N 0 0 414.405 4.448 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(CC2CC2)C2CCCCC2)c(Br)c1 ZINC000447031396 870906608 /nfs/dbraw/zinc/90/66/08/870906608.db2.gz RMMLWVKKJTYACM-UHFFFAOYSA-N 0 0 417.325 4.091 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(OC[C@@H]2CCOC2)c1 ZINC000447056409 870936578 /nfs/dbraw/zinc/93/65/78/870936578.db2.gz AQVSLHMPJBXIGZ-QGZVFWFLSA-N 0 0 413.474 4.257 20 5 HIBDRN CC(C)(NC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000447181341 871072637 /nfs/dbraw/zinc/07/26/37/871072637.db2.gz MZKNHCLASTYDNK-UHFFFAOYSA-N 0 0 424.432 4.001 20 5 HIBDRN CCOc1cc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)c([N+](=O)[O-])cc1OCC ZINC000447183089 871076756 /nfs/dbraw/zinc/07/67/56/871076756.db2.gz JNWJDARRQJQVCF-MSOLQXFVSA-N 0 0 406.385 4.380 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1)c1cc2ccccc2o1 ZINC000447192926 871085601 /nfs/dbraw/zinc/08/56/01/871085601.db2.gz NKLZKWXVYZRSRO-QGZVFWFLSA-N 0 0 416.437 4.288 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000447318097 871210484 /nfs/dbraw/zinc/21/04/84/871210484.db2.gz QEMQBWUKIPZIOV-CYBMUJFWSA-N 0 0 418.247 4.039 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Sc2ncnc3sc(C)cc32)c([N+](=O)[O-])c1 ZINC000447323425 871214748 /nfs/dbraw/zinc/21/47/48/871214748.db2.gz GFFQRVJGSCEBOJ-SNVBAGLBSA-N 0 0 404.473 4.036 20 5 HIBDRN CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000447424633 871329322 /nfs/dbraw/zinc/32/93/22/871329322.db2.gz XJPDQLZOJXPZOL-SSDOTTSWSA-N 0 0 403.220 4.468 20 5 HIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000447498458 871376256 /nfs/dbraw/zinc/37/62/56/871376256.db2.gz COAUVKUUWFYBLH-UHFFFAOYSA-N 0 0 422.347 4.861 20 5 HIBDRN Cc1ccc(C2(CNC(=O)c3cc([N+](=O)[O-])ccc3SCCO)CCC2)cc1C ZINC000447610847 871519896 /nfs/dbraw/zinc/51/98/96/871519896.db2.gz UEBFKAGUPLWMRX-UHFFFAOYSA-N 0 0 414.527 4.148 20 5 HIBDRN C[C@H](O)CCCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000447618723 871525075 /nfs/dbraw/zinc/52/50/75/871525075.db2.gz NIXHUMLYCJMJHL-LBPRGKRZSA-N 0 0 417.512 4.247 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC1(CO)CC(c2ccccc2)C1 ZINC000447624873 871530985 /nfs/dbraw/zinc/53/09/85/871530985.db2.gz SHHREGXWQNOBIW-UHFFFAOYSA-N 0 0 420.918 4.013 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1C ZINC000447649381 871571647 /nfs/dbraw/zinc/57/16/47/871571647.db2.gz HTSPNNMUUGGOAX-UHFFFAOYSA-N 0 0 414.465 4.383 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000447651658 871578046 /nfs/dbraw/zinc/57/80/46/871578046.db2.gz HYIQSRSCDJJCQB-MRXNPFEDSA-N 0 0 404.492 4.180 20 5 HIBDRN COC(=O)Cc1cccc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC000447680378 871611934 /nfs/dbraw/zinc/61/19/34/871611934.db2.gz RFAMAKNYAOPRGA-UHFFFAOYSA-N 0 0 405.279 4.103 20 5 HIBDRN Cc1cccn2cc(CNc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])nc12 ZINC000447681426 871613560 /nfs/dbraw/zinc/61/35/60/871613560.db2.gz ZIPWXDQYGRYMKG-UHFFFAOYSA-N 0 0 401.295 4.212 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCO[C@@H](c2ccccc2)C1 ZINC000447684628 871617766 /nfs/dbraw/zinc/61/77/66/871617766.db2.gz CEKVAFLCGMQOPV-CQSZACIVSA-N 0 0 403.307 4.222 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCc1nc2ccccc2[nH]1 ZINC000447688351 871621601 /nfs/dbraw/zinc/62/16/01/871621601.db2.gz XKZDNAJSXJDOFG-UHFFFAOYSA-N 0 0 401.295 4.175 20 5 HIBDRN COc1ccccc1-c1csc([C@H]2CCCN(c3c([N+](=O)[O-])c(C)nn3C)C2)n1 ZINC000447689933 871623589 /nfs/dbraw/zinc/62/35/89/871623589.db2.gz VBLTWUWUDTXCJJ-AWEZNQCLSA-N 0 0 413.503 4.153 20 5 HIBDRN COCCOc1ccc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 ZINC000447692501 871627802 /nfs/dbraw/zinc/62/78/02/871627802.db2.gz FVPNMBHKCADPPI-UHFFFAOYSA-N 0 0 407.295 4.413 20 5 HIBDRN C[C@](CO)(CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000447693476 871629908 /nfs/dbraw/zinc/62/99/08/871629908.db2.gz MLIDSGHKYRRGCB-MRXNPFEDSA-N 0 0 419.350 4.297 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Oc1cccc(-n2ccnn2)c1 ZINC000447693757 871631147 /nfs/dbraw/zinc/63/11/47/871631147.db2.gz FBHPBRYRGYSYKT-UHFFFAOYSA-N 0 0 401.251 4.017 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)nc2c1 ZINC000447695656 871636160 /nfs/dbraw/zinc/63/61/60/871636160.db2.gz XZUGHWPPHITRBP-ZDUSSCGKSA-N 0 0 408.393 4.044 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2C[C@H](O)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000447721483 871664070 /nfs/dbraw/zinc/66/40/70/871664070.db2.gz VVDOTGTZODZPFF-QGZVFWFLSA-N 0 0 400.500 4.297 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000447726559 871674379 /nfs/dbraw/zinc/67/43/79/871674379.db2.gz GFKZKQXXPXTNEV-SFHVURJKSA-N 0 0 411.505 4.328 20 5 HIBDRN CCn1nccc1C1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000447728934 871676231 /nfs/dbraw/zinc/67/62/31/871676231.db2.gz MSFOWNVESFKIPQ-UHFFFAOYSA-N 0 0 418.472 4.057 20 5 HIBDRN COc1cccc(C=C2CCN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])CC2)c1 ZINC000447802759 871738137 /nfs/dbraw/zinc/73/81/37/871738137.db2.gz NOPNOVYXOCLQBO-UHFFFAOYSA-N 0 0 423.513 4.119 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000447867221 871791979 /nfs/dbraw/zinc/79/19/79/871791979.db2.gz VYAOIMAYPTXACX-QMMLZNLJSA-N 0 0 410.470 4.069 20 5 HIBDRN CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000448041351 871874484 /nfs/dbraw/zinc/87/44/84/871874484.db2.gz DMBQJKCWBPISOT-UHFFFAOYSA-N 0 0 421.501 4.247 20 5 HIBDRN CCC(=O)N1CC[C@H](C(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)C1 ZINC000448169945 872044553 /nfs/dbraw/zinc/04/45/53/872044553.db2.gz NTXGNXIBGGSZOV-INIZCTEOSA-N 0 0 400.482 4.146 20 5 HIBDRN Cc1nc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)ccc1Br ZINC000448190829 872071750 /nfs/dbraw/zinc/07/17/50/872071750.db2.gz NQAUMPAEMKTAER-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000448430717 872379253 /nfs/dbraw/zinc/37/92/53/872379253.db2.gz FXUAJHMOTPYFIS-KDOFPFPSSA-N 0 0 416.474 4.479 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000448435910 872382832 /nfs/dbraw/zinc/38/28/32/872382832.db2.gz CFDVBMUHHFRPPF-QGZVFWFLSA-N 0 0 402.447 4.090 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000448447862 872393298 /nfs/dbraw/zinc/39/32/98/872393298.db2.gz PAYKWGVAGGDZBJ-UHFFFAOYSA-N 0 0 401.325 4.321 20 5 HIBDRN COc1cccc(C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)c1[N+](=O)[O-] ZINC000448449032 872393695 /nfs/dbraw/zinc/39/36/95/872393695.db2.gz UPVCRHFEROXRMN-UHFFFAOYSA-N 0 0 401.325 4.321 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000448449475 872394232 /nfs/dbraw/zinc/39/42/32/872394232.db2.gz WLNBNNKRWODKQF-UHFFFAOYSA-N 0 0 401.325 4.321 20 5 HIBDRN Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000448452707 872399532 /nfs/dbraw/zinc/39/95/32/872399532.db2.gz QLUVBATZUSOULX-TZIWHRDSSA-N 0 0 421.453 4.277 20 5 HIBDRN CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460163006 872707963 /nfs/dbraw/zinc/70/79/63/872707963.db2.gz BNFZHCYWZASODG-UHFFFAOYSA-N 0 0 416.441 4.091 20 5 HIBDRN Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2)cc1 ZINC000468579333 882653255 /nfs/dbraw/zinc/65/32/55/882653255.db2.gz VLDKAFMLLLZCFA-UHFFFAOYSA-N 0 0 403.438 4.134 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000460251455 872840701 /nfs/dbraw/zinc/84/07/01/872840701.db2.gz LFVHKYSQVLSHRU-UHFFFAOYSA-N 0 0 401.753 4.180 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)Oc4cc(F)ccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000460323716 872921449 /nfs/dbraw/zinc/92/14/49/872921449.db2.gz WQSFTBLRDOCFQL-CYBMUJFWSA-N 0 0 424.432 4.023 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCSc4ncccc43)cc2[N+](=O)[O-])C1 ZINC000460349813 872968593 /nfs/dbraw/zinc/96/85/93/872968593.db2.gz ITCQXYJMJGAZRK-GJZGRUSLSA-N 0 0 412.515 4.225 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCSc3ncccc32)cc1[N+](=O)[O-])c1ccccn1 ZINC000460357247 872981229 /nfs/dbraw/zinc/98/12/29/872981229.db2.gz GASPOCMJXUKQKH-AWEZNQCLSA-N 0 0 421.482 4.310 20 5 HIBDRN COc1ccc(CN(C(=O)CCOc2ccccc2[N+](=O)[O-])c2ccncc2)cc1 ZINC000460366856 873000123 /nfs/dbraw/zinc/00/01/23/873000123.db2.gz BDIQELUIQZBWLD-UHFFFAOYSA-N 0 0 407.426 4.001 20 5 HIBDRN C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Oc1cccc(Cl)c1 ZINC000460411702 873066242 /nfs/dbraw/zinc/06/62/42/873066242.db2.gz MFINMXORJBLKSD-HNNXBMFYSA-N 0 0 417.893 4.048 20 5 HIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000460416958 873073331 /nfs/dbraw/zinc/07/33/31/873073331.db2.gz USLGBNNRDTWYNG-ZBEGNZNMSA-N 0 0 409.273 4.492 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N(C[C@H]3CCCO3)C3CCCC3)cc2[N+](=O)[O-])C1 ZINC000460447076 873117134 /nfs/dbraw/zinc/11/71/34/873117134.db2.gz DQXUUDMNGGYPRX-FXAWDEMLSA-N 0 0 415.534 4.395 20 5 HIBDRN COC(=O)c1ccccc1N(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000460462764 873144129 /nfs/dbraw/zinc/14/41/29/873144129.db2.gz WMHVYGQTKXURKM-AWEZNQCLSA-N 0 0 414.483 4.448 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc([N+](=O)[O-])c1 ZINC000460461732 873144160 /nfs/dbraw/zinc/14/41/60/873144160.db2.gz UEHXKDQRIQTYHE-UHFFFAOYSA-N 0 0 416.405 4.484 20 5 HIBDRN C[C@H](CCc1cccn1C)NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000460470929 873156083 /nfs/dbraw/zinc/15/60/83/873156083.db2.gz WSHRGTUWFARBAQ-KZNAEPCWSA-N 0 0 412.534 4.167 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCOc1cccc(Br)c1 ZINC000460473193 873159047 /nfs/dbraw/zinc/15/90/47/873159047.db2.gz PXASKBKYFIECHY-UHFFFAOYSA-N 0 0 413.655 4.128 20 5 HIBDRN CCOc1ccc(CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1OCC ZINC000460477080 873163188 /nfs/dbraw/zinc/16/31/88/873163188.db2.gz QWGLLLIJISXZDS-UHFFFAOYSA-N 0 0 406.866 4.327 20 5 HIBDRN Cc1ccc(-n2ncc(C(=O)NCCc3ccccc3[N+](=O)[O-])c2C(F)(F)F)cc1 ZINC000460500289 873185080 /nfs/dbraw/zinc/18/50/80/873185080.db2.gz QCGJJTUVTXBEJA-UHFFFAOYSA-N 0 0 418.375 4.080 20 5 HIBDRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460503860 873190005 /nfs/dbraw/zinc/19/00/05/873190005.db2.gz NZIYMMMICPSKIO-UHFFFAOYSA-N 0 0 403.797 4.323 20 5 HIBDRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCCc3ccccc3[N+](=O)[O-])c12 ZINC000460505739 873191790 /nfs/dbraw/zinc/19/17/90/873191790.db2.gz ZKUFOEUNFCPIBB-UHFFFAOYSA-N 0 0 420.400 4.218 20 5 HIBDRN Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)o1 ZINC000460532219 873227852 /nfs/dbraw/zinc/22/78/52/873227852.db2.gz CYRAAAQTTOQPSR-CQSZACIVSA-N 0 0 410.474 4.109 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000460539471 873238858 /nfs/dbraw/zinc/23/88/58/873238858.db2.gz OBHJANNACKARLA-ZDUSSCGKSA-N 0 0 408.285 4.421 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@H](C)CO2)c1 ZINC000460557367 873278200 /nfs/dbraw/zinc/27/82/00/873278200.db2.gz NXHACJGNIRWYSR-JPYJTQIMSA-N 0 0 423.513 4.414 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000460657135 873399483 /nfs/dbraw/zinc/39/94/83/873399483.db2.gz RWIWHKHIUKIFEI-UZLBHIALSA-N 0 0 404.470 4.261 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000460670943 873417081 /nfs/dbraw/zinc/41/70/81/873417081.db2.gz NRPJOLLWOGJFEA-UHFFFAOYSA-N 0 0 414.364 4.361 20 5 HIBDRN CCOCCCn1c(-c2ccccc2C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460713980 873506340 /nfs/dbraw/zinc/50/63/40/873506340.db2.gz GMLUGQWTHVHMMB-UHFFFAOYSA-N 0 0 421.501 4.151 20 5 HIBDRN CC[C@@H]1CCCCN1C(=O)c1cc(C(=O)N2CCCC[C@H]2CC)cc([N+](=O)[O-])c1 ZINC000460758659 873597980 /nfs/dbraw/zinc/59/79/80/873597980.db2.gz MVSOPUUPUKFHET-RTBURBONSA-N 0 0 401.507 4.404 20 5 HIBDRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000468622674 882742811 /nfs/dbraw/zinc/74/28/11/882742811.db2.gz QJMDMLDGQGOMEI-HNNXBMFYSA-N 0 0 422.441 4.267 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000460795183 873664610 /nfs/dbraw/zinc/66/46/10/873664610.db2.gz YYENXKPPYYFPAW-DYESRHJHSA-N 0 0 421.501 4.477 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000460891186 873802499 /nfs/dbraw/zinc/80/24/99/873802499.db2.gz BDVWFLWQSMSANV-HNNXBMFYSA-N 0 0 410.405 4.112 20 5 HIBDRN CCOc1ccc(Nc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)cc1 ZINC000460900953 873810107 /nfs/dbraw/zinc/81/01/07/873810107.db2.gz CHBTZDLPDLCFDP-LJQANCHMSA-N 0 0 409.446 4.175 20 5 HIBDRN C[C@@H](c1ccccc1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000460905821 873813839 /nfs/dbraw/zinc/81/38/39/873813839.db2.gz CHMFMZFXVIQNLX-JXFKEZNVSA-N 0 0 407.474 4.230 20 5 HIBDRN C[C@@]1(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)OCCc2sccc21 ZINC000460953304 873851473 /nfs/dbraw/zinc/85/14/73/873851473.db2.gz DQOFINLXQAQYTH-QHCPKHFHSA-N 0 0 422.481 4.100 20 5 HIBDRN CC1(C)CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@H]1C1CC1 ZINC000460964474 873861799 /nfs/dbraw/zinc/86/17/99/873861799.db2.gz OWLNSEGJLVIMNL-INIZCTEOSA-N 0 0 409.273 4.348 20 5 HIBDRN CC(C)[C@@H]1CCCN1C(=O)c1cc(C(=O)N2CCC[C@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000460999072 873879278 /nfs/dbraw/zinc/87/92/78/873879278.db2.gz IAVXMRAJVCDHGQ-PMACEKPBSA-N 0 0 401.507 4.116 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000461035912 873897419 /nfs/dbraw/zinc/89/74/19/873897419.db2.gz DCAORLBZXOWKIS-FOIQADDNSA-N 0 0 412.511 4.286 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)[C@@H]2CCCC[C@@H]21 ZINC000461046977 873915177 /nfs/dbraw/zinc/91/51/77/873915177.db2.gz DYGQPISZNULAAT-XWPNQZOQSA-N 0 0 411.506 4.047 20 5 HIBDRN O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000461101075 874019603 /nfs/dbraw/zinc/01/96/03/874019603.db2.gz YJUTZXVEIYDBEM-UHFFFAOYSA-N 0 0 417.830 4.395 20 5 HIBDRN CC(C)(C)Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1CCCO1 ZINC000461121951 874050190 /nfs/dbraw/zinc/05/01/90/874050190.db2.gz HEVZLMYILGYZPP-IBGZPJMESA-N 0 0 413.522 4.123 20 5 HIBDRN CC(C)CCc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@H]1CCCO1 ZINC000461126756 874057101 /nfs/dbraw/zinc/05/71/01/874057101.db2.gz JPRGVLKFKJOGJC-LJQANCHMSA-N 0 0 413.522 4.123 20 5 HIBDRN CCOc1cc(C(=O)Nc2nc3c(s2)CCCC3(C)C)c([N+](=O)[O-])cc1OC ZINC000461231305 874231245 /nfs/dbraw/zinc/23/12/45/874231245.db2.gz HCLFDVLDOXMKGV-UHFFFAOYSA-N 0 0 405.476 4.325 20 5 HIBDRN CNc1c(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cccc1[N+](=O)[O-] ZINC000461234028 874232978 /nfs/dbraw/zinc/23/29/78/874232978.db2.gz BJUVCWZRIIZSAP-UHFFFAOYSA-N 0 0 405.336 4.093 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000461239094 874238441 /nfs/dbraw/zinc/23/84/41/874238441.db2.gz QDKJFZDRKRLRGO-UHFFFAOYSA-N 0 0 408.311 4.120 20 5 HIBDRN CO[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cccc21 ZINC000468679882 882807417 /nfs/dbraw/zinc/80/74/17/882807417.db2.gz LIYAMLUKWRARHK-HNNXBMFYSA-N 0 0 407.220 4.080 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@H]2OC ZINC000468684077 882809911 /nfs/dbraw/zinc/80/99/11/882809911.db2.gz SMWMUNWISPZDAR-QGZVFWFLSA-N 0 0 418.471 4.056 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)c3nc4ccccc4n3C)cc2[N+](=O)[O-])C1 ZINC000461303295 874308921 /nfs/dbraw/zinc/30/89/21/874308921.db2.gz WLGFODYMGJUHAU-IYBDPMFKSA-N 0 0 421.501 4.240 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000461306268 874313268 /nfs/dbraw/zinc/31/32/68/874313268.db2.gz ZYRMFLRVNCOBED-BFUOFWGJSA-N 0 0 400.406 4.134 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461410070 874426708 /nfs/dbraw/zinc/42/67/08/874426708.db2.gz SKOLSBBJPXWUFC-DLBZAZTESA-N 0 0 422.359 4.018 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461421074 874446256 /nfs/dbraw/zinc/44/62/56/874446256.db2.gz XODHJSUMNZBHRQ-DLBZAZTESA-N 0 0 406.360 4.138 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000468724234 882829876 /nfs/dbraw/zinc/82/98/76/882829876.db2.gz JYOGBFITUNECML-INIZCTEOSA-N 0 0 422.510 4.052 20 5 HIBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000461429659 874470013 /nfs/dbraw/zinc/47/00/13/874470013.db2.gz NYEHBXPUFXVHBE-GOSISDBHSA-N 0 0 423.847 4.436 20 5 HIBDRN CC(C)[C@H]1C[C@@H](NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2ccccc21 ZINC000468739917 882837537 /nfs/dbraw/zinc/83/75/37/882837537.db2.gz SSAZESQGXZAZJS-RTBURBONSA-N 0 0 423.469 4.284 20 5 HIBDRN COCCN(CC(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1 ZINC000461486098 874548391 /nfs/dbraw/zinc/54/83/91/874548391.db2.gz HBQONJKYGPXQTE-UHFFFAOYSA-N 0 0 415.519 4.072 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC000468746091 882839687 /nfs/dbraw/zinc/83/96/87/882839687.db2.gz YAXHYKTWMFRZAD-LFIBNONCSA-N 0 0 417.531 4.328 20 5 HIBDRN Nc1c(C(=O)N2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cccc1[N+](=O)[O-] ZINC000468747867 882841154 /nfs/dbraw/zinc/84/11/54/882841154.db2.gz MVDOBBFOWCDZNT-KRWDZBQOSA-N 0 0 411.849 4.198 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2ccccn2)n1Cc1cccs1 ZINC000461500416 874573142 /nfs/dbraw/zinc/57/31/42/874573142.db2.gz XMQSQMOKTYGVQK-UHFFFAOYSA-N 0 0 420.498 4.037 20 5 HIBDRN O=C(Nc1ccc(Br)c(F)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000461509118 874586008 /nfs/dbraw/zinc/58/60/08/874586008.db2.gz QZKFAFBQYOPYFX-UHFFFAOYSA-N 0 0 406.167 4.003 20 5 HIBDRN Cc1cc2c(cc1C)N(c1nnc(-c3ccc([N+](=O)[O-])cc3)n1C[C@@H]1CCOC1)CC2 ZINC000461567465 874665294 /nfs/dbraw/zinc/66/52/94/874665294.db2.gz SDXYSKDKIMLQBC-KRWDZBQOSA-N 0 0 419.485 4.201 20 5 HIBDRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 ZINC000461576309 874680564 /nfs/dbraw/zinc/68/05/64/874680564.db2.gz YAYRENVNYNKFPJ-LSDHHAIUSA-N 0 0 413.503 4.149 20 5 HIBDRN CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000468786758 882859447 /nfs/dbraw/zinc/85/94/47/882859447.db2.gz BKOHKYJXJMPCQB-UHFFFAOYSA-N 0 0 420.469 4.699 20 5 HIBDRN CC[C@@H](C)c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@H]1CCCCO1 ZINC000461679314 874830180 /nfs/dbraw/zinc/83/01/80/874830180.db2.gz IDWYMQZVOFGEHC-OXQOHEQNSA-N 0 0 413.522 4.438 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000468804865 882867525 /nfs/dbraw/zinc/86/75/25/882867525.db2.gz BTBXNWRDDUOBEQ-GOSISDBHSA-N 0 0 423.473 4.142 20 5 HIBDRN CC(C)NC(=O)Nc1cccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000461700999 874850710 /nfs/dbraw/zinc/85/07/10/874850710.db2.gz AQGOBAZKNVEOIR-IBGZPJMESA-N 0 0 414.487 4.013 20 5 HIBDRN 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875003400 /nfs/dbraw/zinc/00/34/00/875003400.db2.gz BDAQQJLIQZXFHM-IBGZPJMESA-N 0 0 413.522 4.267 20 5 HIBDRN Cc1cc(Nc2cccc(N3CCC(C(N)=O)CC3)c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461937971 875073821 /nfs/dbraw/zinc/07/38/21/875073821.db2.gz WYYIZBTUQYYMEO-UHFFFAOYSA-N 0 0 422.407 4.367 20 5 HIBDRN Cc1cc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461970667 875093164 /nfs/dbraw/zinc/09/31/64/875093164.db2.gz KNEHDKPJMOSNCG-AWEZNQCLSA-N 0 0 400.357 4.006 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000462090513 875200188 /nfs/dbraw/zinc/20/01/88/875200188.db2.gz DGYRPANHRMCZJJ-UHFFFAOYSA-N 0 0 415.318 4.401 20 5 HIBDRN O=[N+]([O-])c1ccc(N2Cc3ccc(O)cc3C3(CC3)C2)nc1OCc1ccccc1 ZINC000462098537 875206765 /nfs/dbraw/zinc/20/67/65/875206765.db2.gz CLRNPXFHJMMEKE-UHFFFAOYSA-N 0 0 403.438 4.326 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000462327958 875444493 /nfs/dbraw/zinc/44/44/93/875444493.db2.gz 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O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469017856 883084112 /nfs/dbraw/zinc/08/41/12/883084112.db2.gz OVKWAWSHLFRDAC-GFCCVEGCSA-N 0 0 410.804 4.311 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2Cl)C1 ZINC000463862655 876984025 /nfs/dbraw/zinc/98/40/25/876984025.db2.gz ZRLWBMZKBSJYST-INIZCTEOSA-N 0 0 414.767 4.481 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000469021897 883088976 /nfs/dbraw/zinc/08/89/76/883088976.db2.gz OJVSCSZKTLRGGP-HXUWFJFHSA-N 0 0 421.501 4.153 20 5 HIBDRN C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000463930456 877050684 /nfs/dbraw/zinc/05/06/84/877050684.db2.gz DWUVDNAXRNDGEM-MRXNPFEDSA-N 0 0 421.428 4.462 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000463949301 877071329 /nfs/dbraw/zinc/07/13/29/877071329.db2.gz KGMKFUUTUKJFEI-KRWDZBQOSA-N 0 0 420.473 4.408 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000463956553 877079632 /nfs/dbraw/zinc/07/96/32/877079632.db2.gz XQRVPBPETDOEKD-SFHVURJKSA-N 0 0 421.400 4.418 20 5 HIBDRN Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cc1 ZINC000463957427 877079870 /nfs/dbraw/zinc/07/98/70/877079870.db2.gz CYXKMDICZUNXMB-UHFFFAOYSA-N 0 0 424.501 4.080 20 5 HIBDRN COC(C)(C)c1nc(C)c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000463958690 877082107 /nfs/dbraw/zinc/08/21/07/877082107.db2.gz NETYPBLEFWPVSI-MRXNPFEDSA-N 0 0 407.517 4.129 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000463959336 877083685 /nfs/dbraw/zinc/08/36/85/877083685.db2.gz UGMBHZVRNGZQCV-UHFFFAOYSA-N 0 0 400.454 4.091 20 5 HIBDRN COc1ccc(CN(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1OC(F)F ZINC000463963534 877088060 /nfs/dbraw/zinc/08/80/60/877088060.db2.gz JIOWWXNYFOMSAU-UHFFFAOYSA-N 0 0 409.389 4.486 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000463963604 877089407 /nfs/dbraw/zinc/08/94/07/877089407.db2.gz JWZGBTAGCDQEGX-AWEZNQCLSA-N 0 0 411.462 4.378 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000463963715 877089866 /nfs/dbraw/zinc/08/98/66/877089866.db2.gz JFMDKHCURBPZHY-UHFFFAOYSA-N 0 0 415.837 4.279 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000464021125 877155056 /nfs/dbraw/zinc/15/50/56/877155056.db2.gz QTPYIJKZFUATDU-UHFFFAOYSA-N 0 0 420.469 4.038 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000464024522 877159481 /nfs/dbraw/zinc/15/94/81/877159481.db2.gz PCBADSBZFCBHHD-OALUTQOASA-N 0 0 409.486 4.068 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000464028730 877163283 /nfs/dbraw/zinc/16/32/83/877163283.db2.gz XEBKTTPGKAJRLW-HXUWFJFHSA-N 0 0 420.469 4.385 20 5 HIBDRN Cc1c(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000464040957 877179268 /nfs/dbraw/zinc/17/92/68/877179268.db2.gz OXQWFOQUYXBRAG-NHCUHLMSSA-N 0 0 419.485 4.201 20 5 HIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(OCc2ccncc2)cc1 ZINC000469035652 883106747 /nfs/dbraw/zinc/10/67/47/883106747.db2.gz PNVVPYHMJAZDLC-UHFFFAOYSA-N 0 0 400.394 4.369 20 5 HIBDRN COc1cc(C(=O)Nc2ncc(C(C)(C)C)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000464094740 877251555 /nfs/dbraw/zinc/25/15/55/877251555.db2.gz ULNRGZDBGSFQIA-UHFFFAOYSA-N 0 0 401.391 4.211 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)cccc1[N+](=O)[O-] ZINC000464101085 877258409 /nfs/dbraw/zinc/25/84/09/877258409.db2.gz XSLPALFZIGNORP-UHFFFAOYSA-N 0 0 405.458 4.064 20 5 HIBDRN CSc1cccc([C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)c2cc(F)ccc2F)c1 ZINC000464123693 877279234 /nfs/dbraw/zinc/27/92/34/877279234.db2.gz VNHYQSPZJRWETB-SFHVURJKSA-N 0 0 403.410 4.442 20 5 HIBDRN CCc1cnc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000464132936 877290600 /nfs/dbraw/zinc/29/06/00/877290600.db2.gz SNDNQONCTIIPJG-KBPBESRZSA-N 0 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Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000464255289 877433634 /nfs/dbraw/zinc/43/36/34/877433634.db2.gz DFPCYRIMPXORFW-GFCCVEGCSA-N 0 0 413.503 4.469 20 5 HIBDRN COc1cc(C(=O)NCCc2c(C)oc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000464262003 877443436 /nfs/dbraw/zinc/44/34/36/877443436.db2.gz WDEZLDSQEKGPAG-UHFFFAOYSA-N 0 0 420.368 4.232 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)cc1[N+](=O)[O-] ZINC000464282884 877470619 /nfs/dbraw/zinc/47/06/19/877470619.db2.gz BIRKSIODXFSVMJ-UHFFFAOYSA-N 0 0 418.519 4.602 20 5 HIBDRN C[C@H](c1nccs1)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000464327120 877516411 /nfs/dbraw/zinc/51/64/11/877516411.db2.gz KLPKHIFLSLWNRL-MRXNPFEDSA-N 0 0 402.523 4.364 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000464341044 877531087 /nfs/dbraw/zinc/53/10/87/877531087.db2.gz WXGPYGHVNWATGE-OAHLLOKOSA-N 0 0 414.483 4.026 20 5 HIBDRN CN(CCc1cccs1)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000464357333 877550329 /nfs/dbraw/zinc/55/03/29/877550329.db2.gz STFWMLYDXFHNJI-UHFFFAOYSA-N 0 0 404.435 4.468 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCCC[C@H]2c2ccco2)c2ncccc12 ZINC000464407842 877611127 /nfs/dbraw/zinc/61/11/27/877611127.db2.gz BIYDZYYQHRCAKV-INIZCTEOSA-N 0 0 401.444 4.042 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3nc4ccc(F)cc4n3C)cc2[N+](=O)[O-])C1 ZINC000464431202 877644152 /nfs/dbraw/zinc/64/41/52/877644152.db2.gz SIVMLDTZGXKHPY-ZDUSSCGKSA-N 0 0 411.437 4.109 20 5 HIBDRN COc1cc(COc2cccc3c2CCCC3=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000503274926 912259281 /nfs/dbraw/zinc/25/92/81/912259281.db2.gz LIDOITUGZPXUAO-UHFFFAOYSA-N 0 0 407.369 4.345 20 5 HIBDRN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)ccc1=O ZINC000464437495 877651743 /nfs/dbraw/zinc/65/17/43/877651743.db2.gz HQIAWBKSFWQHMR-UHFFFAOYSA-N 0 0 415.858 4.350 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000464454472 877673035 /nfs/dbraw/zinc/67/30/35/877673035.db2.gz HGIVXGWJQTWMCC-SNVBAGLBSA-N 0 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CO[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(Cl)c1 ZINC000464601357 877830272 /nfs/dbraw/zinc/83/02/72/877830272.db2.gz YYVVVZYFBYEEFB-QGZVFWFLSA-N 0 0 417.874 4.489 20 5 HIBDRN O=C(c1sccc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464631273 877848942 /nfs/dbraw/zinc/84/89/42/877848942.db2.gz USVLKIGBPYEQOM-UHFFFAOYSA-N 0 0 411.277 4.102 20 5 HIBDRN COc1ccc(S[C@@H](C)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464635822 877852877 /nfs/dbraw/zinc/85/28/77/877852877.db2.gz KOIYLABHQAESFJ-HNNXBMFYSA-N 0 0 416.499 4.154 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464636804 877853992 /nfs/dbraw/zinc/85/39/92/877853992.db2.gz YFFNLZJKFTUIEO-UXHICEINSA-N 0 0 400.862 4.422 20 5 HIBDRN O=C(Nc1nc2cc(Cl)ccn2n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000464636418 877854197 /nfs/dbraw/zinc/85/41/97/877854197.db2.gz LOEIIQLMAZLLLF-UHFFFAOYSA-N 0 0 409.789 4.336 20 5 HIBDRN Cc1cc(C)c(C)c(OCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464637816 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CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000466685431 880474485 /nfs/dbraw/zinc/47/44/85/880474485.db2.gz XIMPATQXQDRLNS-QGZVFWFLSA-N 0 0 407.474 4.462 20 5 HIBDRN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CCCO1 ZINC000466742733 880525061 /nfs/dbraw/zinc/52/50/61/880525061.db2.gz HRWLYBLDXUCRIG-INIZCTEOSA-N 0 0 400.431 4.037 20 5 HIBDRN CN(CCCOCc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000466744945 880527140 /nfs/dbraw/zinc/52/71/40/880527140.db2.gz TVEMHEIQMDGWOI-UHFFFAOYSA-N 0 0 411.483 4.397 20 5 HIBDRN CN(Cc1cnn(C)c1)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466786636 880565894 /nfs/dbraw/zinc/56/58/94/880565894.db2.gz GUESGSQEHPTWNG-UHFFFAOYSA-N 0 0 416.890 4.405 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000466794462 880573556 /nfs/dbraw/zinc/57/35/56/880573556.db2.gz FCTQEPJQKUFVLQ-UHFFFAOYSA-N 0 0 409.833 4.405 20 5 HIBDRN COc1ccc(C(=O)N2CCC(c3cccc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC000466797583 880575681 /nfs/dbraw/zinc/57/56/81/880575681.db2.gz VNRCGPBGMGLVPO-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2cccc(Br)c2)CC1 ZINC000466800193 880579128 /nfs/dbraw/zinc/57/91/28/880579128.db2.gz IPSRBKRAEYKBHR-UHFFFAOYSA-N 0 0 403.276 4.306 20 5 HIBDRN COCC[C@@H]1CCCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000466848169 880618788 /nfs/dbraw/zinc/61/87/88/880618788.db2.gz XNDMVWCRJGUJRA-IBGZPJMESA-N 0 0 411.502 4.486 20 5 HIBDRN C[C@@]1(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000466856444 880625416 /nfs/dbraw/zinc/62/54/16/880625416.db2.gz XVXBNIKJXUTBES-GGAORHGYSA-N 0 0 409.486 4.142 20 5 HIBDRN COc1cc(OCC(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000466868535 880635789 /nfs/dbraw/zinc/63/57/89/880635789.db2.gz RTTZLBPDJAJASF-UHFFFAOYSA-N 0 0 422.840 4.123 20 5 HIBDRN O=C(Nc1cc(F)ccc1Br)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000466887883 880655921 /nfs/dbraw/zinc/65/59/21/880655921.db2.gz OWZFLSYCEXDZOG-UHFFFAOYSA-N 0 0 408.227 4.349 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000467013682 880817885 /nfs/dbraw/zinc/81/78/85/880817885.db2.gz OMHIKBJXAUJFBB-UHFFFAOYSA-N 0 0 417.263 4.180 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br ZINC000467014581 880818359 /nfs/dbraw/zinc/81/83/59/880818359.db2.gz OUSDCVRAFKXBSR-UHFFFAOYSA-N 0 0 418.247 4.417 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)c1C ZINC000467062693 880847792 /nfs/dbraw/zinc/84/77/92/880847792.db2.gz HOFOTZOORFHAHC-MRXNPFEDSA-N 0 0 420.487 4.011 20 5 HIBDRN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467104138 880864530 /nfs/dbraw/zinc/86/45/30/880864530.db2.gz WHLGOQQKXLAGBO-UHFFFAOYSA-N 0 0 416.865 4.114 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Oc1cc(F)cc(F)c1 ZINC000503553291 912622178 /nfs/dbraw/zinc/62/21/78/912622178.db2.gz ZJBLLVORDCMPIJ-UHFFFAOYSA-N 0 0 412.414 4.230 20 5 HIBDRN CN(Cc1cccc(Br)c1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467213805 880942777 /nfs/dbraw/zinc/94/27/77/880942777.db2.gz BKAHKHVHXHCEHV-UHFFFAOYSA-N 0 0 412.671 4.352 20 5 HIBDRN CN(Cc1csc(Br)c1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467214215 880943965 /nfs/dbraw/zinc/94/39/65/880943965.db2.gz CKPQSSFWHLTLKB-UHFFFAOYSA-N 0 0 418.700 4.414 20 5 HIBDRN COc1ccc(OCCSc2nc(-c3ccccc3)c(C)c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000467215882 880945709 /nfs/dbraw/zinc/94/57/09/880945709.db2.gz VBQDMEJHXGFLAP-UHFFFAOYSA-N 0 0 413.455 4.246 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000467411479 881198948 /nfs/dbraw/zinc/19/89/48/881198948.db2.gz DBSUKMCCWSLUIV-CQSZACIVSA-N 0 0 418.949 4.097 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cnn(C(F)F)c2)cc1 ZINC000467435683 881234774 /nfs/dbraw/zinc/23/47/74/881234774.db2.gz UFWAJRDEEPIDCI-UHFFFAOYSA-N 0 0 404.329 4.240 20 5 HIBDRN Cc1ccn(-c2ccccc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000469071203 883151522 /nfs/dbraw/zinc/15/15/22/883151522.db2.gz UBHOEWRNNAUJKM-CYBMUJFWSA-N 0 0 400.822 4.148 20 5 HIBDRN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000469109019 883201075 /nfs/dbraw/zinc/20/10/75/883201075.db2.gz RZKGBEZUKFKPDC-MRXNPFEDSA-N 0 0 402.756 4.389 20 5 HIBDRN COc1cc(S(=O)(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000469198826 883298843 /nfs/dbraw/zinc/29/88/43/883298843.db2.gz TTXVAUJKJLKURN-LLVKDONJSA-N 0 0 418.393 4.004 20 5 HIBDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1-c1c(F)cccc1F ZINC000469247776 883345551 /nfs/dbraw/zinc/34/55/51/883345551.db2.gz UMNORQVGYUYIQJ-ZDUSSCGKSA-N 0 0 400.385 4.167 20 5 HIBDRN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H]1n1ccnc1 ZINC000469384574 883526247 /nfs/dbraw/zinc/52/62/47/883526247.db2.gz VADRRFYYELYVLY-JXFKEZNVSA-N 0 0 406.442 4.307 20 5 HIBDRN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000469438410 883626303 /nfs/dbraw/zinc/62/63/03/883626303.db2.gz KGMOMMPNEHNTNP-CYBMUJFWSA-N 0 0 404.463 4.492 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)C2 ZINC000469456009 883662812 /nfs/dbraw/zinc/66/28/12/883662812.db2.gz BBQUBQLFUZFHMJ-QHCPKHFHSA-N 0 0 418.449 4.308 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000503632639 912734696 /nfs/dbraw/zinc/73/46/96/912734696.db2.gz XPCMCDZROSAXCZ-HNNXBMFYSA-N 0 0 402.472 4.057 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1Br ZINC000469499776 883742968 /nfs/dbraw/zinc/74/29/68/883742968.db2.gz OLMSDOYRNLVBDH-UHFFFAOYSA-N 0 0 417.263 4.153 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000503646421 912751526 /nfs/dbraw/zinc/75/15/26/912751526.db2.gz CKJSRAVEPAKQBD-ZDUSSCGKSA-N 0 0 418.375 4.160 20 5 HIBDRN COc1ccc(NC(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000469649556 883848212 /nfs/dbraw/zinc/84/82/12/883848212.db2.gz IARVJJKLTZGVBN-UHFFFAOYSA-N 0 0 405.401 4.368 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000469701309 883878541 /nfs/dbraw/zinc/87/85/41/883878541.db2.gz ZHDHJILSEJRBHS-NSHDSACASA-N 0 0 409.826 4.315 20 5 HIBDRN Cn1c(C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)ccc1[N+](=O)[O-] ZINC000469718146 883884626 /nfs/dbraw/zinc/88/46/26/883884626.db2.gz QVXGJFUVLYNCOX-UHFFFAOYSA-N 0 0 405.336 4.343 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(nnc2C2CCCC2)C1 ZINC000503665884 912772783 /nfs/dbraw/zinc/77/27/83/912772783.db2.gz IHCKXOBAEHSIOE-UHFFFAOYSA-N 0 0 415.519 4.002 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000469878425 884068075 /nfs/dbraw/zinc/06/80/75/884068075.db2.gz BPBSVBZIYOUIRX-JTQLQIEISA-N 0 0 404.398 4.442 20 5 HIBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@H](O)C1CC1 ZINC000469893541 884084048 /nfs/dbraw/zinc/08/40/48/884084048.db2.gz OXIUTEDLKFRDEP-QMDZLVRISA-N 0 0 423.494 4.022 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnc(C)n2C)c1 ZINC000503681754 912789104 /nfs/dbraw/zinc/78/91/04/912789104.db2.gz SDTFMMILKCNBMQ-UHFFFAOYSA-N 0 0 411.487 4.453 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000469934932 884129827 /nfs/dbraw/zinc/12/98/27/884129827.db2.gz ZCFKHAOGHNJKPX-SJCJKPOMSA-N 0 0 410.396 4.480 20 5 HIBDRN CC(C)(C(=O)N1CCC(c2ncccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000469941656 884137129 /nfs/dbraw/zinc/13/71/29/884137129.db2.gz OFAZKBMJFLUPQI-UHFFFAOYSA-N 0 0 405.857 4.466 20 5 HIBDRN CC(C)(C)OC1CC(CCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000469994088 884210416 /nfs/dbraw/zinc/21/04/16/884210416.db2.gz VSJMNLYDFOEJMA-UHFFFAOYSA-N 0 0 418.412 4.250 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1c1ccccc1 ZINC000469997558 884214251 /nfs/dbraw/zinc/21/42/51/884214251.db2.gz ALOGQWUKZPVIKN-UWJYYQICSA-N 0 0 404.470 4.436 20 5 HIBDRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470001809 884217292 /nfs/dbraw/zinc/21/72/92/884217292.db2.gz DGHUSPVOBMQOPD-INIZCTEOSA-N 0 0 402.756 4.012 20 5 HIBDRN C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(-c2ccncc2)cc1 ZINC000470008520 884223984 /nfs/dbraw/zinc/22/39/84/884223984.db2.gz LSOBBYKRDDYGJE-MRXNPFEDSA-N 0 0 400.438 4.489 20 5 HIBDRN Cc1cnc(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC2)s1 ZINC000470065053 884319462 /nfs/dbraw/zinc/31/94/62/884319462.db2.gz GSXLBBKIANTQBY-UHFFFAOYSA-N 0 0 424.320 4.071 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000503737151 912812279 /nfs/dbraw/zinc/81/22/79/912812279.db2.gz LDKMPAOIEYIXGC-UHFFFAOYSA-N 0 0 413.430 4.330 20 5 HIBDRN COCCN(Cc1ccc(C)o1)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000470092004 884348791 /nfs/dbraw/zinc/34/87/91/884348791.db2.gz DFYZPGYXVBCQMM-MRXNPFEDSA-N 0 0 415.490 4.021 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000470113351 884374061 /nfs/dbraw/zinc/37/40/61/884374061.db2.gz HDCZPSFWDJRHBW-INIZCTEOSA-N 0 0 424.226 4.102 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000470122003 884384114 /nfs/dbraw/zinc/38/41/14/884384114.db2.gz MOLZDRFGZOHKJT-INIZCTEOSA-N 0 0 413.327 4.358 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000470135230 884398560 /nfs/dbraw/zinc/39/85/60/884398560.db2.gz WDCMUKLDWDMNKB-CVEARBPZSA-N 0 0 413.327 4.093 20 5 HIBDRN C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000470138884 884403831 /nfs/dbraw/zinc/40/38/31/884403831.db2.gz UVPLIPASVUGDMX-VLIAUNLRSA-N 0 0 417.437 4.181 20 5 HIBDRN Cc1ccc(F)c(CN(C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000470181695 884468739 /nfs/dbraw/zinc/46/87/39/884468739.db2.gz AXGAOSFENWXGRE-UHFFFAOYSA-N 0 0 400.328 4.256 20 5 HIBDRN CC[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[C@@H]1c1ccccc1 ZINC000470192005 884494056 /nfs/dbraw/zinc/49/40/56/884494056.db2.gz ZIUMBXKYHGKXFZ-JTSKRJEESA-N 0 0 404.470 4.436 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470245462 884577764 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ZINC000471278082 885858015 /nfs/dbraw/zinc/85/80/15/885858015.db2.gz NJVVJNCTRQTSKO-UHFFFAOYSA-N 0 0 423.391 4.265 20 5 HIBDRN O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1ccnn1Cc1ccccc1Cl ZINC000471288328 885872542 /nfs/dbraw/zinc/87/25/42/885872542.db2.gz QYEUYBGLYMFLSV-UHFFFAOYSA-N 0 0 421.240 4.164 20 5 HIBDRN COCCCC[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1 ZINC000471326205 885920160 /nfs/dbraw/zinc/92/01/60/885920160.db2.gz DENKOXFALRFFEH-SFHVURJKSA-N 0 0 408.458 4.068 20 5 HIBDRN Cc1c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cccc1NC(=O)N(C)C ZINC000471329138 885925354 /nfs/dbraw/zinc/92/53/54/885925354.db2.gz OGECCPDMDXTHAM-UHFFFAOYSA-N 0 0 410.352 4.268 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)c[nH]c1=O ZINC000504094911 913006328 /nfs/dbraw/zinc/00/63/28/913006328.db2.gz VVFJPSFOKOTFCD-UHFFFAOYSA-N 0 0 412.265 4.212 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000471440158 886102243 /nfs/dbraw/zinc/10/22/43/886102243.db2.gz 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HIBDRN CO[C@H](C)c1nc(CN2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cs1 ZINC000471520174 886222415 /nfs/dbraw/zinc/22/24/15/886222415.db2.gz OTRPNDJSAWFDRT-CYBMUJFWSA-N 0 0 410.927 4.124 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1 ZINC000471546412 886252907 /nfs/dbraw/zinc/25/29/07/886252907.db2.gz FSDAYSDULWOPJE-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])c(C)n3)n2Cc2ccco2)cc1 ZINC000471619444 886336357 /nfs/dbraw/zinc/33/63/57/886336357.db2.gz MZPRFIFZDRYIFA-UHFFFAOYSA-N 0 0 423.454 4.358 20 5 HIBDRN CC(=O)Nc1cccc(Nc2nnc(Sc3ccc([N+](=O)[O-])c(C)n3)s2)c1 ZINC000471635362 886353992 /nfs/dbraw/zinc/35/39/92/886353992.db2.gz QKDSDJYLPDTXLT-UHFFFAOYSA-N 0 0 402.461 4.003 20 5 HIBDRN Cc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c(-c2nc(C3CC3)no2)c1 ZINC000471643357 886359000 /nfs/dbraw/zinc/35/90/00/886359000.db2.gz HNWWDVBCYZTSLH-UHFFFAOYSA-N 0 0 407.430 4.271 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)cc1C ZINC000471682140 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406.526 4.258 20 5 HIBDRN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000471847019 886612626 /nfs/dbraw/zinc/61/26/26/886612626.db2.gz FHASSIKATYTJIZ-INIZCTEOSA-N 0 0 405.458 4.299 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000471873164 886652167 /nfs/dbraw/zinc/65/21/67/886652167.db2.gz BIPVRTLONCAOSK-IBGZPJMESA-N 0 0 417.874 4.020 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(-c3cc(F)c(F)c(F)c3)no2)c2cccnc21 ZINC000471878822 886658614 /nfs/dbraw/zinc/65/86/14/886658614.db2.gz VWNRWJCSRUGXAP-UHFFFAOYSA-N 0 0 402.288 4.189 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)Nc1cccc2ccn(C)c21)c1ccccc1[N+](=O)[O-] ZINC000471896041 886677171 /nfs/dbraw/zinc/67/71/71/886677171.db2.gz BKZDILULWVQICM-SFHVURJKSA-N 0 0 424.457 4.291 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)Nc1cccc2ccn(C)c21)c1ccccc1[N+](=O)[O-] ZINC000471896040 886677440 /nfs/dbraw/zinc/67/74/40/886677440.db2.gz BKZDILULWVQICM-GOSISDBHSA-N 0 0 424.457 4.291 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCCC3=O)cc2[N+](=O)[O-])C1 ZINC000471905428 886688254 /nfs/dbraw/zinc/68/82/54/886688254.db2.gz LWXDGNNMFPWYGT-NZSAHSFTSA-N 0 0 413.518 4.195 20 5 HIBDRN Cc1cc(-c2noc([C@@H](C)NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000471982698 886810700 /nfs/dbraw/zinc/81/07/00/886810700.db2.gz CRKMQQDSUZAGOI-QWHCGFSZSA-N 0 0 413.409 4.214 20 5 HIBDRN CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)nn1 ZINC000472015613 886837686 /nfs/dbraw/zinc/83/76/86/886837686.db2.gz CXDMSIDSVNSDKC-UHFFFAOYSA-N 0 0 402.332 4.347 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cccc2OC)n1C ZINC000472102325 886894132 /nfs/dbraw/zinc/89/41/32/886894132.db2.gz QHQBKBJPERXVFR-UHFFFAOYSA-N 0 0 400.460 4.245 20 5 HIBDRN Cc1cc(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc([N+](=O)[O-])c1 ZINC000472204681 887005442 /nfs/dbraw/zinc/00/54/42/887005442.db2.gz FHQFRZUTUFRWIG-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000472385005 887228752 /nfs/dbraw/zinc/22/87/52/887228752.db2.gz SAHXUJAXAFNXSX-OAHLLOKOSA-N 0 0 423.473 4.277 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)ccc1F ZINC000472388706 887233383 /nfs/dbraw/zinc/23/33/83/887233383.db2.gz NSUDDYRVJNAFKU-JTQLQIEISA-N 0 0 404.785 4.237 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F ZINC000472394118 887241274 /nfs/dbraw/zinc/24/12/74/887241274.db2.gz AJUWETQMKLSYFA-JTQLQIEISA-N 0 0 404.785 4.237 20 5 HIBDRN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C(C)(C)C)c(OC)c1 ZINC000472477899 887341033 /nfs/dbraw/zinc/34/10/33/887341033.db2.gz OFIAJHVKOAUPRU-UHFFFAOYSA-N 0 0 402.447 4.062 20 5 HIBDRN COc1c(F)cc(F)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000472523305 887393376 /nfs/dbraw/zinc/39/33/76/887393376.db2.gz YGXPNVZNNDCCAV-UHFFFAOYSA-N 0 0 405.401 4.370 20 5 HIBDRN CCNc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1[N+](=O)[O-] ZINC000472545173 887424186 /nfs/dbraw/zinc/42/41/86/887424186.db2.gz YFSCEIFBPINFRQ-LBPRGKRZSA-N 0 0 413.409 4.015 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc2ccc(Cl)cc2n1 ZINC000504290435 913144431 /nfs/dbraw/zinc/14/44/31/913144431.db2.gz SXJQSLMINJCQJF-UHFFFAOYSA-N 0 0 408.801 4.362 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000472546539 887427797 /nfs/dbraw/zinc/42/77/97/887427797.db2.gz ZVFZFWSLIACXAD-OAQYLSRUSA-N 0 0 421.428 4.163 20 5 HIBDRN CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000472553944 887437935 /nfs/dbraw/zinc/43/79/35/887437935.db2.gz IJORYWQHVFWVRD-QGZVFWFLSA-N 0 0 405.401 4.105 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000472587947 887465531 /nfs/dbraw/zinc/46/55/31/887465531.db2.gz ISUCOOQKTDZIIL-LLVKDONJSA-N 0 0 403.287 4.424 20 5 HIBDRN CCOC(=O)c1ccc2c(c1)nc(CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)n2CC ZINC000472603143 887474526 /nfs/dbraw/zinc/47/45/26/887474526.db2.gz KXLRIRHGMVWSNC-HNNXBMFYSA-N 0 0 410.474 4.300 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=C(c3c(F)cccc3F)CC2)c(Cl)c1 ZINC000472607866 887478721 /nfs/dbraw/zinc/47/87/21/887478721.db2.gz XTERRBWUEHNVIU-UHFFFAOYSA-N 0 0 414.817 4.004 20 5 HIBDRN CC[C@@H](C)[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000472609720 887480054 /nfs/dbraw/zinc/48/00/54/887480054.db2.gz MAIULQIZOCRYIG-DIFFPNOSSA-N 0 0 407.829 4.229 20 5 HIBDRN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@]1(c2ccccc2)CCCCC1=O ZINC000472636494 887501309 /nfs/dbraw/zinc/50/13/09/887501309.db2.gz PKAFWRNEJPZKDT-QFIPXVFZSA-N 0 0 406.442 4.115 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000472643448 887507921 /nfs/dbraw/zinc/50/79/21/887507921.db2.gz ZTYXLUNNOQGUIZ-UHFFFAOYSA-N 0 0 419.412 4.142 20 5 HIBDRN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1noc(-c2ccccc2)n1 ZINC000472666699 887522027 /nfs/dbraw/zinc/52/20/27/887522027.db2.gz MPPLWLLOXZWLID-MRXNPFEDSA-N 0 0 424.460 4.082 20 5 HIBDRN CCNc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(CC)cc3)no2)cc1[N+](=O)[O-] ZINC000472665966 887522201 /nfs/dbraw/zinc/52/22/01/887522201.db2.gz LMKPQBPYJCSMPF-CYBMUJFWSA-N 0 0 409.446 4.130 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000472697493 887550138 /nfs/dbraw/zinc/55/01/38/887550138.db2.gz HHKXPVVISIRDMX-UHFFFAOYSA-N 0 0 417.412 4.173 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2CCC(C)C)cc1OC ZINC000472709452 887559973 /nfs/dbraw/zinc/55/99/73/887559973.db2.gz XWKZJSJGSUTXGV-MRXNPFEDSA-N 0 0 408.495 4.060 20 5 HIBDRN O=C(Nc1ccc(COCc2ccccc2)cc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472736241 887583064 /nfs/dbraw/zinc/58/30/64/887583064.db2.gz NGGMICRVOUKTSL-UHFFFAOYSA-N 0 0 423.400 4.028 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000472741114 887585944 /nfs/dbraw/zinc/58/59/44/887585944.db2.gz RHYOUUQDAJRPFM-OAQYLSRUSA-N 0 0 419.412 4.143 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000504311763 913160190 /nfs/dbraw/zinc/16/01/90/913160190.db2.gz SBAOMUDEVQOQJZ-HNNXBMFYSA-N 0 0 413.433 4.041 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC(C)C ZINC000472770261 887616870 /nfs/dbraw/zinc/61/68/70/887616870.db2.gz LLMUFSKMGSBXRI-KKSFZXQISA-N 0 0 415.490 4.438 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000472842114 887694147 /nfs/dbraw/zinc/69/41/47/887694147.db2.gz WXMMOUCEOVXHNE-UHFFFAOYSA-N 0 0 423.429 4.161 20 5 HIBDRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000504328997 913172020 /nfs/dbraw/zinc/17/20/20/913172020.db2.gz MYLFBRGWTJFQRN-MNOVXSKESA-N 0 0 423.238 4.242 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)cc2[N+](=O)[O-])n1 ZINC000472895397 887743931 /nfs/dbraw/zinc/74/39/31/887743931.db2.gz HSEVZAVLUINUDY-LZWOXQAQSA-N 0 0 419.528 4.198 20 5 HIBDRN CCOC(=O)C[C@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000473088402 887901377 /nfs/dbraw/zinc/90/13/77/887901377.db2.gz WVSUFBAPCUWKOU-LBPRGKRZSA-N 0 0 406.822 4.112 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2cccs2)C1 ZINC000473174961 887953232 /nfs/dbraw/zinc/95/32/32/887953232.db2.gz PLFGKLBOOMNPEW-HXUWFJFHSA-N 0 0 423.494 4.482 20 5 HIBDRN O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000473233974 888004012 /nfs/dbraw/zinc/00/40/12/888004012.db2.gz BRHBDYHIISDPDD-UHFFFAOYSA-N 0 0 423.326 4.146 20 5 HIBDRN O=C(NCC1CCN(c2ccccc2)CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000473290129 888043723 /nfs/dbraw/zinc/04/37/23/888043723.db2.gz DXPGSFFNZCKDDI-UHFFFAOYSA-N 0 0 411.505 4.328 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000473319138 888062549 /nfs/dbraw/zinc/06/25/49/888062549.db2.gz 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ZINC000473772791 888572355 /nfs/dbraw/zinc/57/23/55/888572355.db2.gz AQNNXBTZKSXJBZ-UHFFFAOYSA-N 0 0 408.458 4.450 20 5 HIBDRN COc1cc(Cl)c(C(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1OC ZINC000504491154 913282345 /nfs/dbraw/zinc/28/23/45/913282345.db2.gz YAUSALLRNPAFOP-UHFFFAOYSA-N 0 0 401.806 4.012 20 5 HIBDRN COC(=O)COc1ccc(CNc2ccc3nc(C4CC4)sc3c2)cc1[N+](=O)[O-] ZINC000474004585 888863856 /nfs/dbraw/zinc/86/38/56/888863856.db2.gz HXYZMLAOABKEGN-UHFFFAOYSA-N 0 0 413.455 4.246 20 5 HIBDRN CC(C)N(C)c1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000474088809 888916662 /nfs/dbraw/zinc/91/66/62/888916662.db2.gz LUCDIFHVBSWVKM-UHFFFAOYSA-N 0 0 420.307 4.061 20 5 HIBDRN COc1ccc(CNC(=O)N2CCC(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000474139713 888963911 /nfs/dbraw/zinc/96/39/11/888963911.db2.gz CHVGIHPUQOXIII-UHFFFAOYSA-N 0 0 403.866 4.346 20 5 HIBDRN COc1ccc(SCCCC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000474157204 888990749 /nfs/dbraw/zinc/99/07/49/888990749.db2.gz BHVVBKQEHAVAAV-UHFFFAOYSA-N 0 0 408.907 4.488 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1[N+](=O)[O-] ZINC000474167908 889006395 /nfs/dbraw/zinc/00/63/95/889006395.db2.gz FSUJGLYPJPDGRG-CQSZACIVSA-N 0 0 410.396 4.411 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2cccnc2)cc1 ZINC000474216261 889055525 /nfs/dbraw/zinc/05/55/25/889055525.db2.gz WCUFIJYYPSEESJ-CYBMUJFWSA-N 0 0 417.874 4.350 20 5 HIBDRN CC(C)CN(C(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000504532217 913312454 /nfs/dbraw/zinc/31/24/54/913312454.db2.gz GYGHRBTVDZEAMK-QGTPRVQTSA-N 0 0 401.488 4.132 20 5 HIBDRN O=c1c(Br)cc([N+](=O)[O-])cn1CCCOc1cccc(C(F)(F)F)c1 ZINC000474334677 889207127 /nfs/dbraw/zinc/20/71/27/889207127.db2.gz UPZVCXCRCGJZOX-UHFFFAOYSA-N 0 0 421.169 4.007 20 5 HIBDRN COC(=O)COc1ccc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000474344294 889220206 /nfs/dbraw/zinc/22/02/06/889220206.db2.gz IHEMNSFAWNDQSL-QHCPKHFHSA-N 0 0 424.428 4.165 20 5 HIBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)c1cc2cccc(F)c2o1 ZINC000474372962 889249049 /nfs/dbraw/zinc/24/90/49/889249049.db2.gz GREMTJXRCJCPOJ-NSHDSACASA-N 0 0 415.402 4.068 20 5 HIBDRN Cc1nn(CCC(=O)Nc2cccnc2-c2ccc(Cl)s2)c(C)c1[N+](=O)[O-] ZINC000474515074 889381768 /nfs/dbraw/zinc/38/17/68/889381768.db2.gz KBJCQJRVRCVOPS-UHFFFAOYSA-N 0 0 405.867 4.214 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@](C)(c2ccccc2)C(F)(F)F)cc1OC ZINC000504591990 913351191 /nfs/dbraw/zinc/35/11/91/913351191.db2.gz KQYDPYRJYCOXAZ-GOSISDBHSA-N 0 0 412.364 4.210 20 5 HIBDRN Nc1c(C(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000474657685 889521378 /nfs/dbraw/zinc/52/13/78/889521378.db2.gz FUFVYKAICRLQNW-OAHLLOKOSA-N 0 0 411.405 4.126 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(I)ccc1F ZINC000474660118 889524466 /nfs/dbraw/zinc/52/44/66/889524466.db2.gz LGXJMWSKMMRPIS-UHFFFAOYSA-N 0 0 414.174 4.208 20 5 HIBDRN C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(-c2cccnc2)cc1 ZINC000474751765 889610500 /nfs/dbraw/zinc/61/05/00/889610500.db2.gz OVHSNIDXZFSJAY-MRXNPFEDSA-N 0 0 400.438 4.489 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2cccc(COC(C)(C)C)c2C)cc([N+](=O)[O-])c1 ZINC000474758445 889616546 /nfs/dbraw/zinc/61/65/46/889616546.db2.gz NUMXZXCPKAFYGR-UHFFFAOYSA-N 0 0 400.431 4.257 20 5 HIBDRN COc1cccc(C=C2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000474775084 889632456 /nfs/dbraw/zinc/63/24/56/889632456.db2.gz LQBVBNDHGOXWFF-UHFFFAOYSA-N 0 0 404.264 4.445 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc2ccccc2c1 ZINC000474825099 889679350 /nfs/dbraw/zinc/67/93/50/889679350.db2.gz JABJVISHFRHUET-IBGZPJMESA-N 0 0 417.421 4.264 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@]1(CO)Cc1ccccc1 ZINC000474838970 889698838 /nfs/dbraw/zinc/69/88/38/889698838.db2.gz VLBDXSKVOAUQGN-LJQANCHMSA-N 0 0 423.391 4.215 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000474870651 889724796 /nfs/dbraw/zinc/72/47/96/889724796.db2.gz ULLAVFRSBOEQOY-UHFFFAOYSA-N 0 0 408.376 4.399 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 ZINC000504634194 913385918 /nfs/dbraw/zinc/38/59/18/913385918.db2.gz FEXYUHLAWWFBNV-UHFFFAOYSA-N 0 0 415.449 4.287 20 5 HIBDRN COc1c(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cccc1[N+](=O)[O-] ZINC000474970586 889825489 /nfs/dbraw/zinc/82/54/89/889825489.db2.gz SFBMETJCROTAGZ-OAHLLOKOSA-N 0 0 407.426 4.068 20 5 HIBDRN COc1ccc(CNC(=O)NCCCOc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000475132135 889996104 /nfs/dbraw/zinc/99/61/04/889996104.db2.gz GWRNVTCDYSTDFR-UHFFFAOYSA-N 0 0 409.442 4.025 20 5 HIBDRN COC(=O)[C@@H](CC(F)F)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000475136765 890001752 /nfs/dbraw/zinc/00/17/52/890001752.db2.gz IVXVYCIKHNGOQD-CYBMUJFWSA-N 0 0 414.792 4.327 20 5 HIBDRN COc1c(C(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000475180181 890050691 /nfs/dbraw/zinc/05/06/91/890050691.db2.gz WEPVCRDGNFCQBJ-FQEVSTJZSA-N 0 0 416.437 4.010 20 5 HIBDRN COC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000475192043 890062375 /nfs/dbraw/zinc/06/23/75/890062375.db2.gz SMECGEDDISWDHJ-AWEZNQCLSA-N 0 0 419.306 4.401 20 5 HIBDRN COc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc([N+](=O)[O-])c1OC ZINC000475200745 890069788 /nfs/dbraw/zinc/06/97/88/890069788.db2.gz BHRGNXDKCDYHHT-OAHLLOKOSA-N 0 0 411.414 4.121 20 5 HIBDRN COc1cccc(N2CC[C@H](NC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)c1 ZINC000475202353 890071441 /nfs/dbraw/zinc/07/14/41/890071441.db2.gz CTYVDHOATIEAFH-ZDUSSCGKSA-N 0 0 424.379 4.023 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000475209033 890078916 /nfs/dbraw/zinc/07/89/16/890078916.db2.gz CKVMDYUHXNDDAN-INIZCTEOSA-N 0 0 413.327 4.358 20 5 HIBDRN COc1cc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc(OC)c1 ZINC000475211529 890080945 /nfs/dbraw/zinc/08/09/45/890080945.db2.gz RYBRFXRZDYSNGJ-UHFFFAOYSA-N 0 0 413.352 4.295 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000475293567 890200327 /nfs/dbraw/zinc/20/03/27/890200327.db2.gz CEHRPDULCIQDLF-ZIAGYGMSSA-N 0 0 422.304 4.043 20 5 HIBDRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)o1 ZINC000475323724 890243697 /nfs/dbraw/zinc/24/36/97/890243697.db2.gz ZPXWEYQLRGGUNA-UHFFFAOYSA-N 0 0 403.398 4.305 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000504707747 913440856 /nfs/dbraw/zinc/44/08/56/913440856.db2.gz PBSDISBJCHYJSI-OAHLLOKOSA-N 0 0 404.850 4.331 20 5 HIBDRN COC(=O)COc1ccc(CN2CC=C(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000475433196 890352784 /nfs/dbraw/zinc/35/27/84/890352784.db2.gz HRJGPRTZMDCIHY-UHFFFAOYSA-N 0 0 416.861 4.089 20 5 HIBDRN COc1c(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000475532686 890457503 /nfs/dbraw/zinc/45/75/03/890457503.db2.gz UIWXZGFSSRCCOX-UHFFFAOYSA-N 0 0 408.458 4.398 20 5 HIBDRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000475558019 890486153 /nfs/dbraw/zinc/48/61/53/890486153.db2.gz GPCFRAUZLVMUNC-IBGZPJMESA-N 0 0 413.474 4.433 20 5 HIBDRN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2ccccc2)cn1 ZINC000475557787 890486172 /nfs/dbraw/zinc/48/61/72/890486172.db2.gz DWBCWCXUFDDOJJ-HNNXBMFYSA-N 0 0 419.441 4.071 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000475561254 890490735 /nfs/dbraw/zinc/49/07/35/890490735.db2.gz LKVJKLDAEXXZED-UHFFFAOYSA-N 0 0 405.458 4.208 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000475562382 890492670 /nfs/dbraw/zinc/49/26/70/890492670.db2.gz GJVNZPABBBKAAI-AWEZNQCLSA-N 0 0 424.379 4.311 20 5 HIBDRN CC[C@@H]1NC(=O)N(c2cccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2)C1=O ZINC000475566469 890495686 /nfs/dbraw/zinc/49/56/86/890495686.db2.gz HNIAJPICIHCALV-IBGZPJMESA-N 0 0 420.425 4.302 20 5 HIBDRN COc1ccc(C[C@H](C)CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1OC ZINC000475574646 890504918 /nfs/dbraw/zinc/50/49/18/890504918.db2.gz LRXNSNGOBJUFTK-ZDUSSCGKSA-N 0 0 401.463 4.229 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000475584005 890513200 /nfs/dbraw/zinc/51/32/00/890513200.db2.gz XLHNGORXPPKRLY-OAHLLOKOSA-N 0 0 418.444 4.401 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000475589150 890516408 /nfs/dbraw/zinc/51/64/08/890516408.db2.gz YZOXAEROBFAGOD-UHFFFAOYSA-N 0 0 408.911 4.276 20 5 HIBDRN COc1c(C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)cccc1[N+](=O)[O-] ZINC000475592514 890518153 /nfs/dbraw/zinc/51/81/53/890518153.db2.gz SSWGBJPUKQPXBF-UHFFFAOYSA-N 0 0 423.400 4.176 20 5 HIBDRN COc1ccc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000475623973 890559299 /nfs/dbraw/zinc/55/92/99/890559299.db2.gz IYZKEDTYTOIRJF-AWEZNQCLSA-N 0 0 404.772 4.099 20 5 HIBDRN Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cc1 ZINC000475636959 890577748 /nfs/dbraw/zinc/57/77/48/890577748.db2.gz JJRREGQMSHTYJS-UHFFFAOYSA-N 0 0 424.501 4.080 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000475644482 890586946 /nfs/dbraw/zinc/58/69/46/890586946.db2.gz ZLDLULSXDMFRHQ-UHFFFAOYSA-N 0 0 420.473 4.408 20 5 HIBDRN COC(=O)COc1ccc(CN2CCCC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000475702046 890640378 /nfs/dbraw/zinc/64/03/78/890640378.db2.gz RMUSZGJNTQOGQH-SFHVURJKSA-N 0 0 402.422 4.013 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000475716340 890653354 /nfs/dbraw/zinc/65/33/54/890653354.db2.gz HCOHUPUTVYGKPA-UHFFFAOYSA-N 0 0 409.423 4.403 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])cc1OC ZINC000475763125 890709608 /nfs/dbraw/zinc/70/96/08/890709608.db2.gz WSWGGUMLEIVBLY-LLVKDONJSA-N 0 0 402.378 4.378 20 5 HIBDRN O=C(Nc1cc(-c2ccccc2)ns1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000475804028 890738326 /nfs/dbraw/zinc/73/83/26/890738326.db2.gz BPYXIFVSNUZAGX-UHFFFAOYSA-N 0 0 409.471 4.072 20 5 HIBDRN CC(C)Sc1ccc([C@H](C)NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000504749251 913487500 /nfs/dbraw/zinc/48/75/00/913487500.db2.gz GEKOFVZEECYWEF-HNNXBMFYSA-N 0 0 415.515 4.093 20 5 HIBDRN O=C(Nc1ncc(C(F)(F)F)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000475854292 890788665 /nfs/dbraw/zinc/78/86/65/890788665.db2.gz UOUJWKYUJWKXCN-UHFFFAOYSA-N 0 0 400.363 4.446 20 5 HIBDRN Cc1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)cc([N+](=O)[O-])c1 ZINC000475854391 890788988 /nfs/dbraw/zinc/78/89/88/890788988.db2.gz SBZVPWYTTJIETP-QGZVFWFLSA-N 0 0 423.238 4.019 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1)c1ccc([N+](=O)[O-])cc1F ZINC000475857659 890794219 /nfs/dbraw/zinc/79/42/19/890794219.db2.gz ODEIWYRLQHFNNS-GOSISDBHSA-N 0 0 424.831 4.404 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000475871678 890807691 /nfs/dbraw/zinc/80/76/91/890807691.db2.gz XTTYWIQTZKTGBB-UHFFFAOYSA-N 0 0 408.458 4.023 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CN1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC000475885966 890819593 /nfs/dbraw/zinc/81/95/93/890819593.db2.gz QBSRQXQZBISEPA-UHFFFAOYSA-N 0 0 411.506 4.190 20 5 HIBDRN COc1ccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OCCOC(C)C)c1 ZINC000475916512 890843196 /nfs/dbraw/zinc/84/31/96/890843196.db2.gz FKVRJKJCKBAWCN-MRXNPFEDSA-N 0 0 416.474 4.207 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(SCCOC)cc2)cc1[N+](=O)[O-] ZINC000504760421 913496227 /nfs/dbraw/zinc/49/62/27/913496227.db2.gz RGDFWIOIJPURQW-CQSZACIVSA-N 0 0 404.488 4.223 20 5 HIBDRN COc1c(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000476063081 890993410 /nfs/dbraw/zinc/99/34/10/890993410.db2.gz QPJVODXDMWSHNS-LJAQVGFWSA-N 0 0 416.499 4.437 20 5 HIBDRN CCCC1CCC(N(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)CC1 ZINC000504807042 913528001 /nfs/dbraw/zinc/52/80/01/913528001.db2.gz VAXIGOBWBDGQPL-UHFFFAOYSA-N 0 0 421.563 4.382 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CC(C)(C)[C@@H]3c3ccncc3)cc2[N+](=O)[O-])CC1 ZINC000476286871 891203791 /nfs/dbraw/zinc/20/37/91/891203791.db2.gz GYJOSHXMXVMMAJ-NRFANRHFSA-N 0 0 408.502 4.449 20 5 HIBDRN COc1cccc(-c2nc(=NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)s[n-]2)c1 ZINC000476286488 891204570 /nfs/dbraw/zinc/20/45/70/891204570.db2.gz FOVNAGVCZKSUMM-UHFFFAOYSA-N 0 0 412.452 4.011 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000476326177 891231307 /nfs/dbraw/zinc/23/13/07/891231307.db2.gz XCQONVKULPDAKU-UHFFFAOYSA-N 0 0 416.764 4.428 20 5 HIBDRN CC(=O)Nc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 ZINC000504818227 913536104 /nfs/dbraw/zinc/53/61/04/913536104.db2.gz IXSQAXSEKFNBBG-UHFFFAOYSA-N 0 0 419.437 4.318 20 5 HIBDRN Cc1ccc(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000476345974 891249954 /nfs/dbraw/zinc/24/99/54/891249954.db2.gz FNMRLPJQCRXQPF-DLBZAZTESA-N 0 0 410.257 4.332 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 ZINC000476460534 891374293 /nfs/dbraw/zinc/37/42/93/891374293.db2.gz NEMGWTDGMJPFAH-UHFFFAOYSA-N 0 0 424.461 4.067 20 5 HIBDRN C[C@H](c1nnc(SCc2ccc([N+](=O)[O-])cc2F)n1-c1ccc(F)cc1)N(C)C ZINC000476475385 891385920 /nfs/dbraw/zinc/38/59/20/891385920.db2.gz DLDFUVJBXQKJNJ-GFCCVEGCSA-N 0 0 419.457 4.369 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCc1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000504834085 913555633 /nfs/dbraw/zinc/55/56/33/913555633.db2.gz UADGHODGVAYZQT-UHFFFAOYSA-N 0 0 404.382 4.198 20 5 HIBDRN COc1c(C(=O)N2CCc3c(Br)cccc3[C@H]2C)cccc1[N+](=O)[O-] ZINC000476522840 891435831 /nfs/dbraw/zinc/43/58/31/891435831.db2.gz JWLJRLXTVYRGSN-LLVKDONJSA-N 0 0 405.248 4.125 20 5 HIBDRN COc1ccc(CN(CC2CC2)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(OC)c1 ZINC000504836652 913558117 /nfs/dbraw/zinc/55/81/17/913558117.db2.gz HRBCWZLQEZPVIH-UHFFFAOYSA-N 0 0 415.446 4.065 20 5 HIBDRN CCCN([C@H]1CCCc2cccnc21)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000476607910 891544060 /nfs/dbraw/zinc/54/40/60/891544060.db2.gz JRJZYHJKAIMENH-HNNXBMFYSA-N 0 0 409.895 4.122 20 5 HIBDRN CCCN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000476634077 891570466 /nfs/dbraw/zinc/57/04/66/891570466.db2.gz MRGOEGTWUUGXTM-GOSISDBHSA-N 0 0 403.504 4.085 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000476636336 891574811 /nfs/dbraw/zinc/57/48/11/891574811.db2.gz NUAXLJMVFWZRQL-QGZVFWFLSA-N 0 0 403.504 4.023 20 5 HIBDRN COc1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2OC)cc1[N+](=O)[O-] ZINC000476657852 891604506 /nfs/dbraw/zinc/60/45/06/891604506.db2.gz IYQIXAIVKLMJCY-UHFFFAOYSA-N 0 0 417.805 4.481 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H](C)[C@H]3CCCOC3)cc2[N+](=O)[O-])n1 ZINC000504851531 913576806 /nfs/dbraw/zinc/57/68/06/913576806.db2.gz HVYUUINRJPKBQD-OCCSQVGLSA-N 0 0 407.517 4.056 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000476778489 891757444 /nfs/dbraw/zinc/75/74/44/891757444.db2.gz NPJZQHADXFRVBR-GOEBONIOSA-N 0 0 408.520 4.004 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000476778490 891757487 /nfs/dbraw/zinc/75/74/87/891757487.db2.gz NPJZQHADXFRVBR-HOCLYGCPSA-N 0 0 408.520 4.004 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2n[nH]c3cc(F)ccc23)cc1[N+](=O)[O-])c1ccccn1 ZINC000476791433 891774411 /nfs/dbraw/zinc/77/44/11/891774411.db2.gz IJOHWTDGCWXVRB-LBPRGKRZSA-N 0 0 420.404 4.431 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000476792920 891776482 /nfs/dbraw/zinc/77/64/82/891776482.db2.gz CBOMYKITMWDYED-NEWSRXKRSA-N 0 0 402.491 4.029 20 5 HIBDRN CC(C)C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCCCC1=O ZINC000476835469 891814390 /nfs/dbraw/zinc/81/43/90/891814390.db2.gz ZEQIMXBEVPTOIV-KRWDZBQOSA-N 0 0 416.503 4.084 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000476836916 891815511 /nfs/dbraw/zinc/81/55/11/891815511.db2.gz YLGJAXMEVXMSLY-UHFFFAOYSA-N 0 0 412.442 4.064 20 5 HIBDRN COc1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000476860470 891827129 /nfs/dbraw/zinc/82/71/29/891827129.db2.gz ZUOIKNMBMCWFQD-CQSZACIVSA-N 0 0 420.849 4.457 20 5 HIBDRN COc1ccc(F)cc1-c1csc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000476940657 891882067 /nfs/dbraw/zinc/88/20/67/891882067.db2.gz OBKJPIAVBCWZHI-UHFFFAOYSA-N 0 0 401.419 4.437 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000476953456 891888647 /nfs/dbraw/zinc/88/86/47/891888647.db2.gz QGYBLJMGIQPQOF-UHFFFAOYSA-N 0 0 410.879 4.005 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000504878069 913607377 /nfs/dbraw/zinc/60/73/77/913607377.db2.gz YGMBATRAYFSRTP-UHFFFAOYSA-N 0 0 408.433 4.015 20 5 HIBDRN Cn1c2ccccc2nc1-c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000477000575 891927358 /nfs/dbraw/zinc/92/73/58/891927358.db2.gz YNJCPZFDMHUNHI-UHFFFAOYSA-N 0 0 404.401 4.469 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCCCOc2ccccc2C(F)(F)F)cc1 ZINC000477036003 891959562 /nfs/dbraw/zinc/95/95/62/891959562.db2.gz LZJHVYNDZNVWQT-UHFFFAOYSA-N 0 0 403.378 4.247 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@](C)(CO)c1ccc(Br)cc1 ZINC000477069658 892003497 /nfs/dbraw/zinc/00/34/97/892003497.db2.gz OJAMTSUASYVYDH-GOSISDBHSA-N 0 0 422.279 4.003 20 5 HIBDRN COc1c(C(=O)N(C)Cc2cc(Br)ccc2Cl)cccc1[N+](=O)[O-] ZINC000477093737 892028216 /nfs/dbraw/zinc/02/82/16/892028216.db2.gz ABQTWXSEOUKFMW-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000477102713 892036340 /nfs/dbraw/zinc/03/63/40/892036340.db2.gz TYUMNZNTAFUYBX-UHFFFAOYSA-N 0 0 416.319 4.132 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000477115981 892046796 /nfs/dbraw/zinc/04/67/96/892046796.db2.gz YGSXHWBXNMRIRB-UHFFFAOYSA-N 0 0 412.389 4.092 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)o3)no2)c(Br)c1 ZINC000477180364 892099808 /nfs/dbraw/zinc/09/98/08/892099808.db2.gz YZEGRFZCTBONLY-UHFFFAOYSA-N 0 0 414.997 4.430 20 5 HIBDRN COc1ccc(N(Cc2ccco2)C(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1F ZINC000477247183 892198559 /nfs/dbraw/zinc/19/85/59/892198559.db2.gz GLDMJYYPNHFOCJ-UHFFFAOYSA-N 0 0 402.353 4.251 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000477253114 892203834 /nfs/dbraw/zinc/20/38/34/892203834.db2.gz GSVUIASDCCOBEW-QFIPXVFZSA-N 0 0 421.478 4.380 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000477257563 892210392 /nfs/dbraw/zinc/21/03/92/892210392.db2.gz RLMTXONDJUULKN-JOCHJYFZSA-N 0 0 421.478 4.380 20 5 HIBDRN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccc(NC(=O)c2ccccc2)c1 ZINC000477311126 892273553 /nfs/dbraw/zinc/27/35/53/892273553.db2.gz NXFFUJJDIGNGCX-HNNXBMFYSA-N 0 0 421.428 4.406 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1nc2ccccc2n1C(C)C ZINC000477363630 892327674 /nfs/dbraw/zinc/32/76/74/892327674.db2.gz TXYQPARMXZPKCX-UHFFFAOYSA-N 0 0 400.866 4.460 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000477364714 892329177 /nfs/dbraw/zinc/32/91/77/892329177.db2.gz HZKCIHMAQMLNQY-UHFFFAOYSA-N 0 0 410.499 4.209 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000477399503 892354631 /nfs/dbraw/zinc/35/46/31/892354631.db2.gz AFTSLAODTPLGGL-QAPCUYQASA-N 0 0 409.820 4.010 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000477433433 892384899 /nfs/dbraw/zinc/38/48/99/892384899.db2.gz NCSOPGCYFQMXNE-LBPRGKRZSA-N 0 0 412.248 4.358 20 5 HIBDRN O=C(NCc1ccc(OC2CCCCC2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000504916279 913652418 /nfs/dbraw/zinc/65/24/18/913652418.db2.gz WKKGWMADSXVZJI-UHFFFAOYSA-N 0 0 412.442 4.008 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000477477629 892464830 /nfs/dbraw/zinc/46/48/30/892464830.db2.gz QRKXGKZGKITDQS-UHFFFAOYSA-N 0 0 417.824 4.477 20 5 HIBDRN COC(=O)C(C)(C)c1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000477536105 892566932 /nfs/dbraw/zinc/56/69/32/892566932.db2.gz XEJDCQPPUQFAOS-UHFFFAOYSA-N 0 0 419.865 4.063 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](Cc2ccccc2OC)C(C)C)c([N+](=O)[O-])cc1OC 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CO[C@]1(C)CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000477814857 892883671 /nfs/dbraw/zinc/88/36/71/892883671.db2.gz ARPZCRJNVHUBHX-KSFYIVLOSA-N 0 0 412.490 4.194 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000477815955 892885023 /nfs/dbraw/zinc/88/50/23/892885023.db2.gz CGYABKKFBIOQKP-RXVVDRJESA-N 0 0 417.893 4.023 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000477827130 892891119 /nfs/dbraw/zinc/89/11/19/892891119.db2.gz UJWDIXNBWNNLSF-UGSOOPFHSA-N 0 0 422.268 4.368 20 5 HIBDRN CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cnn1-c1ccccc1Cl ZINC000477830491 892893676 /nfs/dbraw/zinc/89/36/76/892893676.db2.gz MFIXRBGLGOHJPF-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN O=C1C[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)CN1c1cccc2ccccc21 ZINC000504975622 913716600 /nfs/dbraw/zinc/71/66/00/913716600.db2.gz URYFEOPNBCUPCT-INIZCTEOSA-N 0 0 400.394 4.319 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000477990476 893090904 /nfs/dbraw/zinc/09/09/04/893090904.db2.gz NFXKJUOQVNSEME-TZMCWYRMSA-N 0 0 420.288 4.115 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000478001985 893105948 /nfs/dbraw/zinc/10/59/48/893105948.db2.gz XYNLDGVVPXGRCJ-NXEZZACHSA-N 0 0 401.669 4.358 20 5 HIBDRN Cc1nn(C)c(C(=O)N[C@](C)(CC(C)C)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000478014639 893130999 /nfs/dbraw/zinc/13/09/99/893130999.db2.gz HTRZDSDZRYPHDL-GOSISDBHSA-N 0 0 423.311 4.091 20 5 HIBDRN O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000478030465 893158109 /nfs/dbraw/zinc/15/81/09/893158109.db2.gz XWCGSWFDMNOHIA-LAQFHYBYSA-N 0 0 424.400 4.139 20 5 HIBDRN COc1cc(CCc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1OCC(F)(F)F ZINC000504996724 913741783 /nfs/dbraw/zinc/74/17/83/913741783.db2.gz RTMIHNDRMYBPQP-UHFFFAOYSA-N 0 0 423.347 4.380 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc([N+](=O)[O-])c1C ZINC000478054180 893206363 /nfs/dbraw/zinc/20/63/63/893206363.db2.gz PYQQLUONTLAJRJ-UHFFFAOYSA-N 0 0 402.300 4.244 20 5 HIBDRN C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000478096791 893261411 /nfs/dbraw/zinc/26/14/11/893261411.db2.gz UBONFBLYHWZRDT-ZDUSSCGKSA-N 0 0 417.416 4.409 20 5 HIBDRN CCOc1cc(C(=O)Nc2nc3cc(F)c(C)cc3s2)c([N+](=O)[O-])cc1OC ZINC000478099225 893264649 /nfs/dbraw/zinc/26/46/49/893264649.db2.gz ZZUVWZBXAYAQHA-UHFFFAOYSA-N 0 0 405.407 4.312 20 5 HIBDRN O=C(c1cccc2ccsc21)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000478101522 893267589 /nfs/dbraw/zinc/26/75/89/893267589.db2.gz NKIVJDMVKKMMKZ-UHFFFAOYSA-N 0 0 421.482 4.038 20 5 HIBDRN C[C@H]1CC[C@H](CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000478109714 893274394 /nfs/dbraw/zinc/27/43/94/893274394.db2.gz CJKNZZQTSBMMBS-KBPBESRZSA-N 0 0 413.440 4.382 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000478126534 893298121 /nfs/dbraw/zinc/29/81/21/893298121.db2.gz YWRATVMCLUXBGF-UHFFFAOYSA-N 0 0 407.474 4.069 20 5 HIBDRN CC(C)c1ccc(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000478148135 893318547 /nfs/dbraw/zinc/31/85/47/893318547.db2.gz KGJLCPBRCMNDQL-HNNXBMFYSA-N 0 0 412.364 4.080 20 5 HIBDRN CCc1ccc(C(=O)N(CCc2ccccn2)Cc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000478154480 893322801 /nfs/dbraw/zinc/32/28/01/893322801.db2.gz RGLSHPGGSAKLJN-UHFFFAOYSA-N 0 0 419.481 4.446 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000478171087 893337693 /nfs/dbraw/zinc/33/76/93/893337693.db2.gz MZOWWVXWLNCZGF-ZWKOTPCHSA-N 0 0 405.401 4.061 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H](c2ccc(F)cc2)C1 ZINC000478193697 893355123 /nfs/dbraw/zinc/35/51/23/893355123.db2.gz BUHDQMXXPOGNHB-ZDUSSCGKSA-N 0 0 412.339 4.305 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000478216965 893377736 /nfs/dbraw/zinc/37/77/36/893377736.db2.gz WUJCDEYHGXCLLM-MDASCCDHSA-N 0 0 404.413 4.437 20 5 HIBDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)CCC2 ZINC000478281637 893483914 /nfs/dbraw/zinc/48/39/14/893483914.db2.gz MPIJSAQNKPRFNI-INIZCTEOSA-N 0 0 412.471 4.017 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000478372757 893638297 /nfs/dbraw/zinc/63/82/97/893638297.db2.gz QOHFRICRKWVINN-UHFFFAOYSA-N 0 0 416.474 4.402 20 5 HIBDRN Cc1nn(CCC(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c(C)c1[N+](=O)[O-] ZINC000478409210 893695147 /nfs/dbraw/zinc/69/51/47/893695147.db2.gz XIIOGSVFHKXWMG-UHFFFAOYSA-N 0 0 422.407 4.133 20 5 HIBDRN Cn1c(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)nc2cccc(Cl)c21 ZINC000478485095 893807352 /nfs/dbraw/zinc/80/73/52/893807352.db2.gz XRNOBCBWJIANAU-UHFFFAOYSA-N 0 0 412.755 4.084 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000478488707 893808587 /nfs/dbraw/zinc/80/85/87/893808587.db2.gz GYEDLTGTJIWNNA-UHFFFAOYSA-N 0 0 412.357 4.373 20 5 HIBDRN Cc1coc(-c2cc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)ccc2C)n1 ZINC000478520274 893826932 /nfs/dbraw/zinc/82/69/32/893826932.db2.gz DUBGJZLKHIRKPS-UHFFFAOYSA-N 0 0 403.398 4.305 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCc1cccc(OCC(F)(F)F)c1 ZINC000478521228 893827745 /nfs/dbraw/zinc/82/77/45/893827745.db2.gz YEFVLMVGWBJXQC-UHFFFAOYSA-N 0 0 416.783 4.091 20 5 HIBDRN O=C(NCCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000478528808 893832704 /nfs/dbraw/zinc/83/27/04/893832704.db2.gz LFGSPVGWKMTRMA-UHFFFAOYSA-N 0 0 419.359 4.057 20 5 HIBDRN CCOc1cccc2cc([C@@H](C)NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)oc21 ZINC000505090263 913812295 /nfs/dbraw/zinc/81/22/95/913812295.db2.gz AOZXMMDIZJUCPE-CQSZACIVSA-N 0 0 412.446 4.212 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000478613600 893876325 /nfs/dbraw/zinc/87/63/25/893876325.db2.gz YJVAQUHUUGFXBT-OAHLLOKOSA-N 0 0 402.447 4.136 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000478615355 893877179 /nfs/dbraw/zinc/87/71/79/893877179.db2.gz MLGXOYQGAHYORL-DOTOQJQBSA-N 0 0 414.506 4.080 20 5 HIBDRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000478627203 893883390 /nfs/dbraw/zinc/88/33/90/893883390.db2.gz JNECYFXGLPOZEL-UHFFFAOYSA-N 0 0 406.394 4.213 20 5 HIBDRN Cc1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1NC(=O)N(C)C ZINC000478650795 893895691 /nfs/dbraw/zinc/89/56/91/893895691.db2.gz LHJJSYRXBQXONY-UHFFFAOYSA-N 0 0 410.352 4.268 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1NC(=O)N(C)C ZINC000478654247 893898188 /nfs/dbraw/zinc/89/81/88/893898188.db2.gz DTSOIYMUMHVPKU-UHFFFAOYSA-N 0 0 421.251 4.012 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1ccn(C)n1 ZINC000478659163 893902594 /nfs/dbraw/zinc/90/25/94/893902594.db2.gz YEFIRQPZDIQEFX-UHFFFAOYSA-N 0 0 402.863 4.410 20 5 HIBDRN Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000478675988 893926095 /nfs/dbraw/zinc/92/60/95/893926095.db2.gz BPYYLEGDXFDAIK-UHFFFAOYSA-N 0 0 406.486 4.133 20 5 HIBDRN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000478677897 893930917 /nfs/dbraw/zinc/93/09/17/893930917.db2.gz RBKJVNTXEKTKKF-UHFFFAOYSA-N 0 0 419.422 4.271 20 5 HIBDRN COC(=O)c1ccc(C(F)(F)F)nc1SCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000478711405 893976612 /nfs/dbraw/zinc/97/66/12/893976612.db2.gz OZAZBJYOGRMCCA-UHFFFAOYSA-N 0 0 402.350 4.096 20 5 HIBDRN CCOc1cc(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000478718605 893989151 /nfs/dbraw/zinc/98/91/51/893989151.db2.gz KTJXUSMOFUFYRY-UHFFFAOYSA-N 0 0 416.764 4.266 20 5 HIBDRN CCOc1cc(OCC(=O)c2ccc(OC)c(Br)c2)ccc1[N+](=O)[O-] ZINC000478731768 894006042 /nfs/dbraw/zinc/00/60/42/894006042.db2.gz GRQUSBFPTKFVDH-UHFFFAOYSA-N 0 0 410.220 4.026 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478816162 894090023 /nfs/dbraw/zinc/09/00/23/894090023.db2.gz SMLMXHPSQCRKLD-UHFFFAOYSA-N 0 0 406.360 4.308 20 5 HIBDRN COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000478909049 894190307 /nfs/dbraw/zinc/19/03/07/894190307.db2.gz WMPRAJXGROPNPQ-LJQANCHMSA-N 0 0 409.486 4.051 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000478915317 894195377 /nfs/dbraw/zinc/19/53/77/894195377.db2.gz JNOFIAWEECPDDB-OPAMFIHVSA-N 0 0 419.441 4.230 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)CC(=O)Nc1c(F)cccc1F ZINC000478937884 894218479 /nfs/dbraw/zinc/21/84/79/894218479.db2.gz ILWVMNJAVDPKEK-UHFFFAOYSA-N 0 0 423.441 4.086 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000478938884 894220284 /nfs/dbraw/zinc/22/02/84/894220284.db2.gz XBRHLHOERAPVDU-QGZVFWFLSA-N 0 0 407.923 4.393 20 5 HIBDRN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1cc([N+](=O)[O-])n[nH]1 ZINC000505163410 913854110 /nfs/dbraw/zinc/85/41/10/913854110.db2.gz DOQPCRVIZKKBFL-CQSZACIVSA-N 0 0 409.833 4.015 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000505166019 913856459 /nfs/dbraw/zinc/85/64/59/913856459.db2.gz PNQSBCGRVJGIDJ-LLVKDONJSA-N 0 0 422.338 4.429 20 5 HIBDRN COc1cc(OC2CC2)ccc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000479090774 894357221 /nfs/dbraw/zinc/35/72/21/894357221.db2.gz POCKVCKSPMMTNO-UHFFFAOYSA-N 0 0 424.375 4.349 20 5 HIBDRN CC(C)N(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000479090995 894357466 /nfs/dbraw/zinc/35/74/66/894357466.db2.gz QELZWPHTRXRBDA-UHFFFAOYSA-N 0 0 423.391 4.175 20 5 HIBDRN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1nc(-c2ccccc2Cl)cs1 ZINC000479121472 894391392 /nfs/dbraw/zinc/39/13/92/894391392.db2.gz YYKKFEMLSIFTCD-UHFFFAOYSA-N 0 0 414.830 4.237 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Cl)s1 ZINC000479147437 894417284 /nfs/dbraw/zinc/41/72/84/894417284.db2.gz VNBOHXVYNOHIJB-UHFFFAOYSA-N 0 0 400.909 4.320 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c1 ZINC000479267137 894538990 /nfs/dbraw/zinc/53/89/90/894538990.db2.gz PKRYVATUBAWXBJ-KRWDZBQOSA-N 0 0 423.238 4.019 20 5 HIBDRN CC(C)(c1nc(CC(=O)Nc2ccccc2Cl)no1)c1ccc([N+](=O)[O-])cc1 ZINC000479271703 894546697 /nfs/dbraw/zinc/54/66/97/894546697.db2.gz QQRWCCKAKKVAAB-UHFFFAOYSA-N 0 0 400.822 4.138 20 5 HIBDRN CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCc2cccnc21 ZINC000479355718 894653605 /nfs/dbraw/zinc/65/36/05/894653605.db2.gz GXLCOVMFHBGJMC-HXUWFJFHSA-N 0 0 405.458 4.105 20 5 HIBDRN C[C@H](SCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000479379924 894680507 /nfs/dbraw/zinc/68/05/07/894680507.db2.gz SPEMGWRVRZXMTM-LBPRGKRZSA-N 0 0 418.906 4.278 20 5 HIBDRN CC(C)CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCc2cccnc21 ZINC000479381615 894682564 /nfs/dbraw/zinc/68/25/64/894682564.db2.gz KNYVFHALEPOCIZ-OAQYLSRUSA-N 0 0 419.485 4.351 20 5 HIBDRN CCC(=O)c1ccc(NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000479384731 894686011 /nfs/dbraw/zinc/68/60/11/894686011.db2.gz WYIGYHXNYPBHIL-CQSZACIVSA-N 0 0 412.364 4.058 20 5 HIBDRN Cn1cc(CNc2cnn(-c3ccc(Cl)cc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479395315 894699520 /nfs/dbraw/zinc/69/95/20/894699520.db2.gz OPJSBNVAOWZCOJ-UHFFFAOYSA-N 0 0 408.849 4.447 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2)C1 ZINC000479479740 894803283 /nfs/dbraw/zinc/80/32/83/894803283.db2.gz ZGRMYCVPMXLPKW-GOSISDBHSA-N 0 0 423.391 4.016 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1cccc(O)c1)CC1CC1 ZINC000479617215 894887712 /nfs/dbraw/zinc/88/77/12/894887712.db2.gz VFGGEUJZJIZDBP-UHFFFAOYSA-N 0 0 409.467 4.476 20 5 HIBDRN CCOC[C@H]1CCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000505258149 913913878 /nfs/dbraw/zinc/91/38/78/913913878.db2.gz RHXZOLBJGFFROD-AWEZNQCLSA-N 0 0 421.544 4.400 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1cccc(C(F)F)c1 ZINC000479641657 894909884 /nfs/dbraw/zinc/90/98/84/894909884.db2.gz XZMQLOYDVWZGKW-UHFFFAOYSA-N 0 0 406.204 4.269 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000479657119 894931132 /nfs/dbraw/zinc/93/11/32/894931132.db2.gz PXGZSESSLXFJPB-INIZCTEOSA-N 0 0 400.784 4.471 20 5 HIBDRN Cc1csc(-c2cccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2)n1 ZINC000479668314 894944759 /nfs/dbraw/zinc/94/47/59/894944759.db2.gz UBBYQJVLAPRMLO-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN Cc1c(CNC(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000479673359 894953338 /nfs/dbraw/zinc/95/33/38/894953338.db2.gz CRDKZCZBVUZMAK-CQSZACIVSA-N 0 0 401.438 4.392 20 5 HIBDRN COCC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C)o1 ZINC000479674515 894956053 /nfs/dbraw/zinc/95/60/53/894956053.db2.gz LLJOREIEUQWYHD-HNNXBMFYSA-N 0 0 401.444 4.127 20 5 HIBDRN O=C(Nc1cccc(Oc2ccncc2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479720845 895017809 /nfs/dbraw/zinc/01/78/09/895017809.db2.gz YYFFTLHYSQBKGF-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN COCC[C@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000479787836 895090234 /nfs/dbraw/zinc/09/02/34/895090234.db2.gz MUAYMSRPTPNMBN-YJBOKZPZSA-N 0 0 415.490 4.240 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Nc2cc(-c3cccnc3)ccc2C)c([N+](=O)[O-])c1 ZINC000479821619 895137926 /nfs/dbraw/zinc/13/79/26/895137926.db2.gz HOIRRGLVCIQAOV-HNNXBMFYSA-N 0 0 406.442 4.413 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc(-c2ccccc2)cs1 ZINC000479838607 895165117 /nfs/dbraw/zinc/16/51/17/895165117.db2.gz OBHJAKMWXLFLKD-AWEZNQCLSA-N 0 0 419.466 4.395 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc(-c2ccccc2)cs1 ZINC000479838611 895165448 /nfs/dbraw/zinc/16/54/48/895165448.db2.gz OBHJAKMWXLFLKD-CQSZACIVSA-N 0 0 419.466 4.395 20 5 HIBDRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000479886052 895229369 /nfs/dbraw/zinc/22/93/69/895229369.db2.gz MXTBXFWXNODWIY-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=C(CCc1cccc(F)c1F)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000505294021 913952589 /nfs/dbraw/zinc/95/25/89/913952589.db2.gz PUWLQYANPOWZBW-UHFFFAOYSA-N 0 0 417.334 4.053 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(N3CCSCC3)cc2C)cc([N+](=O)[O-])c1C ZINC000479932174 895279484 /nfs/dbraw/zinc/27/94/84/895279484.db2.gz RBGMKYCZRIUSEI-UHFFFAOYSA-N 0 0 401.488 4.026 20 5 HIBDRN COc1ccc(-c2nc(Cn3nc(C)c4cc([N+](=O)[O-])ccc43)cs2)cc1OC ZINC000479941208 895294394 /nfs/dbraw/zinc/29/43/94/895294394.db2.gz QAVDERYSZVIPSV-UHFFFAOYSA-N 0 0 410.455 4.442 20 5 HIBDRN COc1cccc(Cl)c1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000479957564 895309624 /nfs/dbraw/zinc/30/96/24/895309624.db2.gz OUHBGUHOBNWZPH-UHFFFAOYSA-N 0 0 419.865 4.010 20 5 HIBDRN COc1cccc(OC)c1Oc1ccc(CNCc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000479989967 895344188 /nfs/dbraw/zinc/34/41/88/895344188.db2.gz UBSOGUZCANJKHT-UHFFFAOYSA-N 0 0 413.405 4.228 20 5 HIBDRN COc1cc(C(=O)Nc2ccccc2NC(=O)c2cccs2)cc([N+](=O)[O-])c1C ZINC000480028911 895377222 /nfs/dbraw/zinc/37/72/22/895377222.db2.gz BDTOIPSGXWFEBP-UHFFFAOYSA-N 0 0 411.439 4.478 20 5 HIBDRN COc1cc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)cc([N+](=O)[O-])c1C ZINC000480033045 895382280 /nfs/dbraw/zinc/38/22/80/895382280.db2.gz BRPLTPAKNPICQW-UHFFFAOYSA-N 0 0 423.444 4.331 20 5 HIBDRN O=C(Nc1ccc(CNc2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000480046099 895393792 /nfs/dbraw/zinc/39/37/92/895393792.db2.gz YXUVQPXRCQATSQ-UHFFFAOYSA-N 0 0 405.410 4.230 20 5 HIBDRN CCC(=O)c1ccc(NCc2csc(CNC(=O)c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000480055992 895401751 /nfs/dbraw/zinc/40/17/51/895401751.db2.gz DFGOFXWHRYEKOF-UHFFFAOYSA-N 0 0 424.482 4.186 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000480064377 895412919 /nfs/dbraw/zinc/41/29/19/895412919.db2.gz YBPFTIXAQHLKGJ-AOMKIAJQSA-N 0 0 409.486 4.070 20 5 HIBDRN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000480065719 895415866 /nfs/dbraw/zinc/41/58/66/895415866.db2.gz XBZRCJAFOFLISL-SJKOYZFVSA-N 0 0 400.822 4.265 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)c3nc4ccccc4o3)cc2[N+](=O)[O-])C1 ZINC000505309782 913970968 /nfs/dbraw/zinc/97/09/68/913970968.db2.gz BEPOMLIXGAXEAA-HUUCEWRRSA-N 0 0 408.458 4.495 20 5 HIBDRN COc1cc(C)c(Br)cc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000480158135 895545265 /nfs/dbraw/zinc/54/52/65/895545265.db2.gz DDOIFAIXBQHRDM-UHFFFAOYSA-N 0 0 422.279 4.381 20 5 HIBDRN O=C(CNc1cc(F)cc([N+](=O)[O-])c1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000480161954 895549102 /nfs/dbraw/zinc/54/91/02/895549102.db2.gz SIISLPAEIDGSIN-MRXNPFEDSA-N 0 0 414.418 4.178 20 5 HIBDRN O=[N+]([O-])c1cc(F)cc(NCc2nc(Cc3cccc(Br)c3)no2)c1 ZINC000480170881 895560263 /nfs/dbraw/zinc/56/02/63/895560263.db2.gz RXCCYYYYFGRPOC-UHFFFAOYSA-N 0 0 407.199 4.082 20 5 HIBDRN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000505331690 913996725 /nfs/dbraw/zinc/99/67/25/913996725.db2.gz SEISNBXUGBMCSC-UHFFFAOYSA-N 0 0 409.486 4.060 20 5 HIBDRN CCc1ccc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cc1[N+](=O)[O-] ZINC000480352719 895758238 /nfs/dbraw/zinc/75/82/38/895758238.db2.gz DFRSRTJCIIAWSB-UHFFFAOYSA-N 0 0 415.453 4.397 20 5 HIBDRN CCS[C@@H]1CCCCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 ZINC000480376585 895783618 /nfs/dbraw/zinc/78/36/18/895783618.db2.gz NBWQXZGIQTXIQZ-LJQANCHMSA-N 0 0 416.547 4.204 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000480496312 895867363 /nfs/dbraw/zinc/86/73/63/895867363.db2.gz CLTPSPAJXPVKAX-LLVKDONJSA-N 0 0 408.838 4.231 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000505353289 914019572 /nfs/dbraw/zinc/01/95/72/914019572.db2.gz OIYHZXQDYBLZIR-WBVHZDCISA-N 0 0 410.449 4.366 20 5 HIBDRN COCCCC[C@H](NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000480602774 895968279 /nfs/dbraw/zinc/96/82/79/895968279.db2.gz BOBNRFAHXQXVMD-SFHVURJKSA-N 0 0 406.504 4.048 20 5 HIBDRN Cc1cc(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)ccc1[N+](=O)[O-] ZINC000480681803 896045044 /nfs/dbraw/zinc/04/50/44/896045044.db2.gz IGOPQGMRVOEROS-GFCCVEGCSA-N 0 0 411.384 4.067 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000480715683 896075701 /nfs/dbraw/zinc/07/57/01/896075701.db2.gz AIQFSPYNKAVSFO-MRXNPFEDSA-N 0 0 410.861 4.281 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000480716460 896078434 /nfs/dbraw/zinc/07/84/34/896078434.db2.gz BHSUVPRQGIEQLU-QGZVFWFLSA-N 0 0 420.462 4.116 20 5 HIBDRN CCC(CC)N(c1cccc(C)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000480751216 896113607 /nfs/dbraw/zinc/11/36/07/896113607.db2.gz BLIUVEBJYOAQQP-UHFFFAOYSA-N 0 0 420.487 4.074 20 5 HIBDRN CCCOc1cc(NC(=O)c2sc3nccn3c2C)c([N+](=O)[O-])cc1OCCC ZINC000505374213 914037381 /nfs/dbraw/zinc/03/73/81/914037381.db2.gz AFAJKLKSSSVGSY-UHFFFAOYSA-N 0 0 418.475 4.442 20 5 HIBDRN NC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 ZINC000480801033 896168428 /nfs/dbraw/zinc/16/84/28/896168428.db2.gz AXUHPQYHGTYFQX-UHFFFAOYSA-N 0 0 422.466 4.167 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(Cl)ccc2C1 ZINC000480811135 896180113 /nfs/dbraw/zinc/18/01/13/896180113.db2.gz IYZOKTVFNRAPLR-UHFFFAOYSA-N 0 0 406.891 4.185 20 5 HIBDRN COC(=O)c1cc(N2CCC(n3c(C)nc4ccccc43)CC2)cc(C)c1[N+](=O)[O-] ZINC000480820550 896193627 /nfs/dbraw/zinc/19/36/27/896193627.db2.gz CGRYFMMIYGLRSW-UHFFFAOYSA-N 0 0 408.458 4.189 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCc2cc(Cl)ccc2C1 ZINC000480823416 896197342 /nfs/dbraw/zinc/19/73/42/896197342.db2.gz SKFMSCFUSLKOSG-UHFFFAOYSA-N 0 0 402.881 4.393 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)cc1[N+](=O)[O-] ZINC000480849819 896219305 /nfs/dbraw/zinc/21/93/05/896219305.db2.gz TWXZWBONOKXVOK-UHFFFAOYSA-N 0 0 419.409 4.020 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1 ZINC000480860155 896226896 /nfs/dbraw/zinc/22/68/96/896226896.db2.gz KTOFNWPTVKVIQU-LLVKDONJSA-N 0 0 409.870 4.118 20 5 HIBDRN COc1cccc(Cl)c1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000480911780 896267117 /nfs/dbraw/zinc/26/71/17/896267117.db2.gz UEJWQYYPKAOESH-UHFFFAOYSA-N 0 0 418.755 4.128 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000481016001 896346037 /nfs/dbraw/zinc/34/60/37/896346037.db2.gz ACPXDRUDRNFPMM-UHFFFAOYSA-N 0 0 415.446 4.141 20 5 HIBDRN CCS[C@@H]1CCC[C@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000481020474 896351510 /nfs/dbraw/zinc/35/15/10/896351510.db2.gz QLMJCKHENLRKTD-DGCLKSJQSA-N 0 0 408.467 4.496 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(NCCc3cccc(OCC(F)(F)F)c3)cc2N1 ZINC000481060793 896382650 /nfs/dbraw/zinc/38/26/50/896382650.db2.gz PDLMZFCYKSUKKZ-UHFFFAOYSA-N 0 0 409.364 4.075 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000505401422 914066031 /nfs/dbraw/zinc/06/60/31/914066031.db2.gz CIYXKEUIRIHLFE-SFHVURJKSA-N 0 0 423.391 4.237 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000505403448 914068882 /nfs/dbraw/zinc/06/88/82/914068882.db2.gz PICRSVRXXBRQRW-OAHLLOKOSA-N 0 0 422.281 4.412 20 5 HIBDRN COc1cccc(C(NC(=O)c2ccc([N+](=O)[O-])cc2C)c2cccc(OC)c2)c1 ZINC000481220129 896571629 /nfs/dbraw/zinc/57/16/29/896571629.db2.gz IGIWBEADMKZCMR-UHFFFAOYSA-N 0 0 406.438 4.440 20 5 HIBDRN O=[N+]([O-])c1ccn(CCSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)n1 ZINC000481252356 896604531 /nfs/dbraw/zinc/60/45/31/896604531.db2.gz CQOPLJCNENQINR-UHFFFAOYSA-N 0 0 424.461 4.030 20 5 HIBDRN CCOc1cc(NC(=O)NCc2nccc3ccccc32)c([N+](=O)[O-])cc1OCC ZINC000505420200 914084461 /nfs/dbraw/zinc/08/44/61/914084461.db2.gz KUEANEFVMMJZEA-UHFFFAOYSA-N 0 0 410.430 4.262 20 5 HIBDRN COc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1[N+](=O)[O-] ZINC000481286331 896631907 /nfs/dbraw/zinc/63/19/07/896631907.db2.gz MOEGMRUQAQERAK-KRWDZBQOSA-N 0 0 409.801 4.001 20 5 HIBDRN COc1ccc([C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000481299938 896645485 /nfs/dbraw/zinc/64/54/85/896645485.db2.gz IAGJUSHBXZWEKS-KRWDZBQOSA-N 0 0 411.380 4.091 20 5 HIBDRN CC[C@@H](C)c1ccc(-c2csc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)n2)cc1 ZINC000481324587 896681496 /nfs/dbraw/zinc/68/14/96/896681496.db2.gz PRNFSXNHFCUCBJ-CYBMUJFWSA-N 0 0 412.471 4.032 20 5 HIBDRN C[C@H](Sc1nnc(-c2cnccn2)n1Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000481335948 896698712 /nfs/dbraw/zinc/69/87/12/896698712.db2.gz HGPFZGRJYQBFOZ-ZDUSSCGKSA-N 0 0 408.443 4.138 20 5 HIBDRN CCC[C@@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000481406289 896812561 /nfs/dbraw/zinc/81/25/61/896812561.db2.gz QBVDMUDKYOKSNE-LJQANCHMSA-N 0 0 419.547 4.303 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000481424833 896827522 /nfs/dbraw/zinc/82/75/22/896827522.db2.gz JPNXYZJMUKKXLU-UHFFFAOYSA-N 0 0 413.352 4.208 20 5 HIBDRN COc1cc(C(=O)N2CC3(CCC3)c3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000481436703 896836544 /nfs/dbraw/zinc/83/65/44/896836544.db2.gz OENAITYXVIGLRA-UHFFFAOYSA-N 0 0 404.369 4.287 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000505440134 914104573 /nfs/dbraw/zinc/10/45/73/914104573.db2.gz MRPJDDOHNWPXMI-OAHLLOKOSA-N 0 0 404.291 4.305 20 5 HIBDRN Cc1c(CNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000481460827 896854363 /nfs/dbraw/zinc/85/43/63/896854363.db2.gz CMIRBOVYTAOTSL-NRFANRHFSA-N 0 0 417.465 4.081 20 5 HIBDRN Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccccc1 ZINC000481468851 896859714 /nfs/dbraw/zinc/85/97/14/896859714.db2.gz UESVYAAUGUKDDO-UHFFFAOYSA-N 0 0 403.438 4.394 20 5 HIBDRN Cc1c(CNC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000481476600 896863019 /nfs/dbraw/zinc/86/30/19/896863019.db2.gz VBWIGRPOOSUJTJ-UHFFFAOYSA-N 0 0 402.300 4.036 20 5 HIBDRN Cc1ccc(OCc2nc(CC(=O)NCc3cccc([N+](=O)[O-])c3C)cs2)cc1 ZINC000481490565 896870069 /nfs/dbraw/zinc/87/00/69/896870069.db2.gz IMYSFUVIAQLYKK-UHFFFAOYSA-N 0 0 411.483 4.106 20 5 HIBDRN Cc1ccc(O[C@H](C)C(=O)NCc2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000481496189 896872221 /nfs/dbraw/zinc/87/22/21/896872221.db2.gz 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898966523 /nfs/dbraw/zinc/96/65/23/898966523.db2.gz RLPXMKQOAMQKNL-UHFFFAOYSA-N 0 0 407.268 4.123 20 5 HIBDRN COc1c(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000483458234 899096916 /nfs/dbraw/zinc/09/69/16/899096916.db2.gz BOOKUGBJCNASJN-UHFFFAOYSA-N 0 0 410.474 4.056 20 5 HIBDRN CCOc1cc(NC(=O)NCCc2cccc3cccnc32)c([N+](=O)[O-])cc1OCC ZINC000505626794 914325883 /nfs/dbraw/zinc/32/58/83/914325883.db2.gz XGEMKBVWTSRADN-UHFFFAOYSA-N 0 0 424.457 4.305 20 5 HIBDRN Cc1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1C(=O)N1CCCCC1 ZINC000483575341 899228918 /nfs/dbraw/zinc/22/89/18/899228918.db2.gz OGUAUTZYKBUPKC-UHFFFAOYSA-N 0 0 424.501 4.236 20 5 HIBDRN O=C(N[C@@H](CO)c1ccsc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000505634072 914333901 /nfs/dbraw/zinc/33/39/01/914333901.db2.gz QOFYVLVGIQZPDF-SFHVURJKSA-N 0 0 400.481 4.271 20 5 HIBDRN C[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(Cc2ccccc2)no1 ZINC000483654711 899312475 /nfs/dbraw/zinc/31/24/75/899312475.db2.gz OIOYXTXTSKWFNP-GFCCVEGCSA-N 0 0 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CC[C@H](C)Sc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)c(C(F)(F)F)c1 ZINC000483974112 899618238 /nfs/dbraw/zinc/61/82/38/899618238.db2.gz JDTYGLUPSSTQDT-VIFPVBQESA-N 0 0 402.398 4.490 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1C ZINC000484088672 899720355 /nfs/dbraw/zinc/72/03/55/899720355.db2.gz LQJPVDVACOEEJC-AWEZNQCLSA-N 0 0 410.474 4.350 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CSc2ncnc3c2cnn3-c2ccc(F)cc2)c(F)c1 ZINC000505683998 914376269 /nfs/dbraw/zinc/37/62/69/914376269.db2.gz MJXUBWHAOONPAO-UHFFFAOYSA-N 0 0 417.372 4.433 20 5 HIBDRN Cc1nc(C)n(Cc2cccc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2)n1 ZINC000484189646 899805073 /nfs/dbraw/zinc/80/50/73/899805073.db2.gz DKCKTHDQVHJIDX-UHFFFAOYSA-N 0 0 420.473 4.048 20 5 HIBDRN COc1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)cc1[N+](=O)[O-] ZINC000484315360 899873867 /nfs/dbraw/zinc/87/38/67/899873867.db2.gz YISPLZRTWOSZDP-UHFFFAOYSA-N 0 0 423.450 4.032 20 5 HIBDRN COc1cccc2c1N(C(=O)c1ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c1)CCC2 ZINC000484319604 899877146 /nfs/dbraw/zinc/87/71/46/899877146.db2.gz QBXYUBLSOIDUQJ-INIZCTEOSA-N 0 0 409.486 4.433 20 5 HIBDRN CCc1ccc([C@@H]2CN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CCO2)cc1 ZINC000484354459 899903443 /nfs/dbraw/zinc/90/34/43/899903443.db2.gz PUUGIOHRTZYPRK-QRWLVFNGSA-N 0 0 408.458 4.342 20 5 HIBDRN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000484368451 899912596 /nfs/dbraw/zinc/91/25/96/899912596.db2.gz KTIIOPIEFLBANH-KXBFYZLASA-N 0 0 400.500 4.369 20 5 HIBDRN COc1cc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)ccc1[N+](=O)[O-] ZINC000484487449 899979713 /nfs/dbraw/zinc/97/97/13/899979713.db2.gz KFYCAGWZWDZENB-UHFFFAOYSA-N 0 0 423.450 4.247 20 5 HIBDRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000484497269 899988213 /nfs/dbraw/zinc/98/82/13/899988213.db2.gz JFYOGTKZJFTFST-HNNXBMFYSA-N 0 0 418.475 4.214 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CSc3nnc(NCc4ccc(F)cc4)s3)nc2c1 ZINC000484505860 899996693 /nfs/dbraw/zinc/99/66/93/899996693.db2.gz WNEYLMHFCZZZLV-UHFFFAOYSA-N 0 0 416.463 4.366 20 5 HIBDRN C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000484525821 900013124 /nfs/dbraw/zinc/01/31/24/900013124.db2.gz DVGHYMHNPMLVJS-SJCJKPOMSA-N 0 0 421.375 4.162 20 5 HIBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000484578183 900045023 /nfs/dbraw/zinc/04/50/23/900045023.db2.gz WBAURBLVKCADLS-NSHDSACASA-N 0 0 401.806 4.119 20 5 HIBDRN Cc1cccc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)c1[N+](=O)[O-] ZINC000484590795 900054250 /nfs/dbraw/zinc/05/42/50/900054250.db2.gz OPIOANQKTHGFJW-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN COc1cc(CSc2n[nH]c(COc3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] ZINC000484646891 900091062 /nfs/dbraw/zinc/09/10/62/900091062.db2.gz VIFIOCMKECXVBI-UHFFFAOYSA-N 0 0 406.851 4.246 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000484681274 900119874 /nfs/dbraw/zinc/11/98/74/900119874.db2.gz QPWBFRVVRLWOMI-NRFANRHFSA-N 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ZINC000484896176 900277882 /nfs/dbraw/zinc/27/78/82/900277882.db2.gz RLCQRJMKJBFYGX-UHFFFAOYSA-N 0 0 415.309 4.076 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCSC)cc1 ZINC000484915980 900292568 /nfs/dbraw/zinc/29/25/68/900292568.db2.gz IUBOWBRUMIZILT-UHFFFAOYSA-N 0 0 406.529 4.491 20 5 HIBDRN NC(=O)c1ccc(OCC(F)F)c(NC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000484987509 900342223 /nfs/dbraw/zinc/34/22/23/900342223.db2.gz NJIYBDYKFFTCGD-UHFFFAOYSA-N 0 0 421.403 4.383 20 5 HIBDRN CC1(C)CN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@](C)(C(F)(F)F)O1 ZINC000505768241 914435751 /nfs/dbraw/zinc/43/57/51/914435751.db2.gz IDORLHTZBSIRME-CQSZACIVSA-N 0 0 414.302 4.186 20 5 HIBDRN O=C(Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000505772978 914439637 /nfs/dbraw/zinc/43/96/37/914439637.db2.gz WQRNJCLICWLURY-UHFFFAOYSA-N 0 0 418.331 4.446 20 5 HIBDRN COC(=O)C(C)(C)c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n1 ZINC000485075515 900394884 /nfs/dbraw/zinc/39/48/84/900394884.db2.gz 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Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000485355866 900649799 /nfs/dbraw/zinc/64/97/99/900649799.db2.gz IEXPUOLVXRIUKK-CYBMUJFWSA-N 0 0 404.419 4.373 20 5 HIBDRN CC[C@@H](C)n1ncc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000485356476 900651336 /nfs/dbraw/zinc/65/13/36/900651336.db2.gz KRLLMBFZXMSGHP-CQSZACIVSA-N 0 0 401.467 4.146 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000485363419 900659008 /nfs/dbraw/zinc/65/90/08/900659008.db2.gz QVXQIPZPZHUHTQ-AWEZNQCLSA-N 0 0 420.425 4.369 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000485379384 900677368 /nfs/dbraw/zinc/67/73/68/900677368.db2.gz LDTKKIAEEHHFLZ-MRXNPFEDSA-N 0 0 410.348 4.147 20 5 HIBDRN NC(=O)c1ccc(CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C2CC2)cc1 ZINC000485392114 900688367 /nfs/dbraw/zinc/68/83/67/900688367.db2.gz FLXCOWQUQSFRIW-UHFFFAOYSA-N 0 0 406.417 4.064 20 5 HIBDRN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H](CC)CN1C(C)=O ZINC000485395097 900692551 /nfs/dbraw/zinc/69/25/51/900692551.db2.gz CIPANWDMAMGLJT-ROUUACIJSA-N 0 0 400.454 4.022 20 5 HIBDRN Cc1cc([C@H]2CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)ccc1Br ZINC000485411825 900709204 /nfs/dbraw/zinc/70/92/04/900709204.db2.gz SLEBWINKCKPIDW-CQSZACIVSA-N 0 0 402.252 4.050 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)nc1-c1ccc(F)cc1 ZINC000485417208 900715768 /nfs/dbraw/zinc/71/57/68/900715768.db2.gz PVNGZXZVXMQCTQ-OAHLLOKOSA-N 0 0 408.437 4.106 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000485426550 900724797 /nfs/dbraw/zinc/72/47/97/900724797.db2.gz FIXGOYBAEZWUJQ-ZDUSSCGKSA-N 0 0 424.906 4.184 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000485427208 900725400 /nfs/dbraw/zinc/72/54/00/900725400.db2.gz BPOSFWIDOLXMHI-LBPRGKRZSA-N 0 0 409.364 4.080 20 5 HIBDRN C[S@@](=O)Cc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000485465247 900758823 /nfs/dbraw/zinc/75/88/23/900758823.db2.gz LGAWPXSAAJZEDN-SSEXGKCCSA-N 0 0 424.478 4.305 20 5 HIBDRN O=C(NCc1ccccc1OC1CCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000485485227 900775800 /nfs/dbraw/zinc/77/58/00/900775800.db2.gz AQHKTOPXGIZQHQ-UHFFFAOYSA-N 0 0 411.277 4.280 20 5 HIBDRN CN1C[C@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c2ccccc2C1=O ZINC000485486530 900777184 /nfs/dbraw/zinc/77/71/84/900777184.db2.gz DCCDCBKKRYUICD-NRFANRHFSA-N 0 0 417.421 4.195 20 5 HIBDRN CC(=O)c1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)o1 ZINC000485486389 900777277 /nfs/dbraw/zinc/77/72/77/900777277.db2.gz FDZILCPBKZSRQJ-UHFFFAOYSA-N 0 0 406.354 4.088 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485509303 900796436 /nfs/dbraw/zinc/79/64/36/900796436.db2.gz ZPWHZLKASSPWJD-RHSMWYFYSA-N 0 0 410.854 4.369 20 5 HIBDRN COc1cc(F)c([C@@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC ZINC000485510298 900796493 /nfs/dbraw/zinc/79/64/93/900796493.db2.gz OKOKJNWTUKGJCB-CYBMUJFWSA-N 0 0 417.437 4.186 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000485510622 900797317 /nfs/dbraw/zinc/79/73/17/900797317.db2.gz SGKWVWRBMBNING-CYBMUJFWSA-N 0 0 424.906 4.184 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H](c2ccccc2C)C2CC2)cc1[N+](=O)[O-] ZINC000485601258 900861031 /nfs/dbraw/zinc/86/10/31/900861031.db2.gz BCWMOQAHOYLPTN-OAQYLSRUSA-N 0 0 400.500 4.413 20 5 HIBDRN CC(C)CN(C(=O)CCOCC(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000485648765 900899955 /nfs/dbraw/zinc/89/99/55/900899955.db2.gz RRJDZWOAFWHRKD-UHFFFAOYSA-N 0 0 413.446 4.379 20 5 HIBDRN COc1cc(C(=O)Nc2c3ccccc3nc(C)c2C(C)C)c([N+](=O)[O-])cc1OC ZINC000485674050 900924645 /nfs/dbraw/zinc/92/46/45/900924645.db2.gz ONODHXDAVANKND-UHFFFAOYSA-N 0 0 409.442 4.266 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc2ncsc2c1 ZINC000485677593 900930021 /nfs/dbraw/zinc/93/00/21/900930021.db2.gz GANPPNNNYUGSNE-VIFPVBQESA-N 0 0 406.261 4.458 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c1[N+](=O)[O-] ZINC000485737623 900992185 /nfs/dbraw/zinc/99/21/85/900992185.db2.gz XTPYGXLOUIONFE-UHFFFAOYSA-N 0 0 405.863 4.115 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1[N+](=O)[O-] ZINC000485739639 900994013 /nfs/dbraw/zinc/99/40/13/900994013.db2.gz URLHJXRJPCGRJI-UHFFFAOYSA-N 0 0 409.467 4.221 20 5 HIBDRN CCOc1cc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])ccc1OC(F)F ZINC000485742853 900998121 /nfs/dbraw/zinc/99/81/21/900998121.db2.gz AFBBBTLFDFHPIR-UHFFFAOYSA-N 0 0 412.414 4.247 20 5 HIBDRN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485745011 900999937 /nfs/dbraw/zinc/99/99/37/900999937.db2.gz QRRBLJVDXWHODI-AKIFATBCSA-N 0 0 400.434 4.242 20 5 HIBDRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000485753927 901009827 /nfs/dbraw/zinc/00/98/27/901009827.db2.gz VUHSXAOPEUESKO-UHFFFAOYSA-N 0 0 422.484 4.318 20 5 HIBDRN O=C(Nc1ccc(F)c(Br)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485763602 901020686 /nfs/dbraw/zinc/02/06/86/901020686.db2.gz CIVKECVIVPDQHA-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000485772789 901029225 /nfs/dbraw/zinc/02/92/25/901029225.db2.gz VGOIZYRCAJTSLB-MRXNPFEDSA-N 0 0 416.499 4.147 20 5 HIBDRN COc1cc(CN(Cc2ccc([N+](=O)[O-])c(OC)c2)C2CC2)ccc1OC(F)F ZINC000485775478 901031932 /nfs/dbraw/zinc/03/19/32/901031932.db2.gz UVPHYRKOFODUBM-UHFFFAOYSA-N 0 0 408.401 4.378 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000485795070 901047214 /nfs/dbraw/zinc/04/72/14/901047214.db2.gz RMHBZHPKMFSDJL-GFCCVEGCSA-N 0 0 409.364 4.080 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000485808628 901058031 /nfs/dbraw/zinc/05/80/31/901058031.db2.gz BTONJLVPQZFRRG-UHFFFAOYSA-N 0 0 405.788 4.135 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)N2CCC(c3c(F)cccc3F)CC2)c([N+](=O)[O-])c1 ZINC000485890577 901124098 /nfs/dbraw/zinc/12/40/98/901124098.db2.gz CDMOFNMBBBHAOA-CYBMUJFWSA-N 0 0 419.428 4.088 20 5 HIBDRN C[C@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000485901070 901130850 /nfs/dbraw/zinc/13/08/50/901130850.db2.gz QSVJCJSSQVCUAR-SSDOTTSWSA-N 0 0 405.220 4.231 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(F)c1 ZINC000485900180 901130882 /nfs/dbraw/zinc/13/08/82/901130882.db2.gz ONLMWSJYEUWOJQ-UHFFFAOYSA-N 0 0 424.384 4.352 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c(C)c([N+](=O)[O-])c1 ZINC000485952031 901171351 /nfs/dbraw/zinc/17/13/51/901171351.db2.gz OUOMNSVVXIUXEN-LSDHHAIUSA-N 0 0 422.359 4.451 20 5 HIBDRN CCS[C@@H](C)c1noc(CN(C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000485979768 901198532 /nfs/dbraw/zinc/19/85/32/901198532.db2.gz PCLARGBCTPXUHG-NEPJUHHUSA-N 0 0 418.479 4.035 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2F)c(C)c([N+](=O)[O-])c1 ZINC000485988496 901207265 /nfs/dbraw/zinc/20/72/65/901207265.db2.gz IQWOFTMMHRBQGN-UHFFFAOYSA-N 0 0 400.284 4.100 20 5 HIBDRN O=[N+]([O-])c1ccn(C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)n1 ZINC000485999152 901214873 /nfs/dbraw/zinc/21/48/73/901214873.db2.gz BGSLSFIZEVWFOQ-UHFFFAOYSA-N 0 0 406.471 4.305 20 5 HIBDRN C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000486021478 901228315 /nfs/dbraw/zinc/22/83/15/901228315.db2.gz YIHSQPYNDFFROO-IYBDPMFKSA-N 0 0 424.501 4.031 20 5 HIBDRN Cc1nc2sc3c(c2c(N2CCC(n4ccc([N+](=O)[O-])n4)CC2)n1)CC[C@H](C)C3 ZINC000486039669 901241840 /nfs/dbraw/zinc/24/18/40/901241840.db2.gz RFHAAWLAYIYABB-LBPRGKRZSA-N 0 0 412.519 4.071 20 5 HIBDRN O=C(NCCCc1cccc(Cl)c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486091165 901279675 /nfs/dbraw/zinc/27/96/75/901279675.db2.gz RBYYRVLKJWWMPG-UHFFFAOYSA-N 0 0 403.685 4.435 20 5 HIBDRN COc1cc(CNc2cccc(C)c2C(=O)NCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486107652 901295135 /nfs/dbraw/zinc/29/51/35/901295135.db2.gz ZEBKXOICAICCJK-UHFFFAOYSA-N 0 0 419.481 4.496 20 5 HIBDRN Cc1csc([C@@H](C)CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 ZINC000486152434 901339558 /nfs/dbraw/zinc/33/95/58/901339558.db2.gz LJQLLMRWMMQSDL-AWEZNQCLSA-N 0 0 411.483 4.472 20 5 HIBDRN CCn1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nc2ccc(F)cc21 ZINC000486157821 901346722 /nfs/dbraw/zinc/34/67/22/901346722.db2.gz OBHHCTWUIWJETH-UHFFFAOYSA-N 0 0 413.228 4.180 20 5 HIBDRN C[C@@]1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000486159973 901348279 /nfs/dbraw/zinc/34/82/79/901348279.db2.gz UKSSJVKGJHLGEU-GGAORHGYSA-N 0 0 410.470 4.109 20 5 HIBDRN CCO[C@H](CCNC(=O)c1sc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000486166566 901353545 /nfs/dbraw/zinc/35/35/45/901353545.db2.gz QRAVTJZTKVUMOR-GFCCVEGCSA-N 0 0 405.314 4.134 20 5 HIBDRN CCO[C@H]1C[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1(CC)CC ZINC000486194068 901379114 /nfs/dbraw/zinc/37/91/14/901379114.db2.gz VTRWGAZWWZWYLF-MNOVXSKESA-N 0 0 405.314 4.132 20 5 HIBDRN O=C(Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000486195491 901380608 /nfs/dbraw/zinc/38/06/08/901380608.db2.gz PIAJNKMMLLCTSM-UHFFFAOYSA-N 0 0 421.438 4.273 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(Cc3nnc4ccccn43)cc2)c1[N+](=O)[O-] ZINC000486230555 901413388 /nfs/dbraw/zinc/41/33/88/901413388.db2.gz SQJITKGGOUWBGR-UHFFFAOYSA-N 0 0 419.466 4.203 20 5 HIBDRN O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000486282939 901466827 /nfs/dbraw/zinc/46/68/27/901466827.db2.gz UQRWOZZFPNKLSB-UHFFFAOYSA-N 0 0 402.414 4.177 20 5 HIBDRN Cc1cccc(CN(Cc2ccccn2)C(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000486318337 901495967 /nfs/dbraw/zinc/49/59/67/901495967.db2.gz IDGPMRJCAWVTAL-UHFFFAOYSA-N 0 0 405.454 4.296 20 5 HIBDRN COc1ccc([C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000505900913 914542054 /nfs/dbraw/zinc/54/20/54/914542054.db2.gz JZHYETWBUIHFCZ-INIZCTEOSA-N 0 0 417.771 4.089 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000486344590 901517342 /nfs/dbraw/zinc/51/73/42/901517342.db2.gz LYMWBUXVKGRXRD-ZDUSSCGKSA-N 0 0 421.881 4.177 20 5 HIBDRN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486350046 901521800 /nfs/dbraw/zinc/52/18/00/901521800.db2.gz UQVYMMDNHWBTDF-JTQLQIEISA-N 0 0 403.298 4.031 20 5 HIBDRN CC(C)Cn1nccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000486364355 901532422 /nfs/dbraw/zinc/53/24/22/901532422.db2.gz DVAZWOZBNQXDCJ-HNNXBMFYSA-N 0 0 408.462 4.268 20 5 HIBDRN COCc1ccccc1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486363414 901532809 /nfs/dbraw/zinc/53/28/09/901532809.db2.gz BRPCSPJFHMURGO-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000486379168 901544587 /nfs/dbraw/zinc/54/45/87/901544587.db2.gz MGFTZEWNMQFEBF-UHFFFAOYSA-N 0 0 419.363 4.123 20 5 HIBDRN CCOc1cccc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])c1OC(F)F ZINC000486424072 901582073 /nfs/dbraw/zinc/58/20/73/901582073.db2.gz IOTKAJPKJRAJFG-UHFFFAOYSA-N 0 0 412.414 4.247 20 5 HIBDRN C[C@@H]1COC[C@@H](c2ccccc2)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486425298 901583424 /nfs/dbraw/zinc/58/34/24/901583424.db2.gz MWTVKBFHBRLIBR-MFKMUULPSA-N 0 0 411.277 4.021 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC[C@H](C2CCOCC2)C1 ZINC000486424966 901583736 /nfs/dbraw/zinc/58/37/36/901583736.db2.gz OUHDLZVTECGSEV-IBGZPJMESA-N 0 0 410.470 4.063 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](C)Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000486428356 901587169 /nfs/dbraw/zinc/58/71/69/901587169.db2.gz CUQFCRYFZCADSZ-NSHDSACASA-N 0 0 409.305 4.440 20 5 HIBDRN CCCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H](C)c1ccccc1OC ZINC000486429199 901588814 /nfs/dbraw/zinc/58/88/14/901588814.db2.gz WRIHERCCLGRRDM-INIZCTEOSA-N 0 0 408.458 4.403 20 5 HIBDRN CC(=O)c1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c(C)nc1C ZINC000486436281 901594990 /nfs/dbraw/zinc/59/49/90/901594990.db2.gz SGHWGPFOQYWISK-UHFFFAOYSA-N 0 0 410.455 4.209 20 5 HIBDRN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486437281 901596228 /nfs/dbraw/zinc/59/62/28/901596228.db2.gz SQARKALJYMVUBM-INIZCTEOSA-N 0 0 402.472 4.083 20 5 HIBDRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000486501002 901652320 /nfs/dbraw/zinc/65/23/20/901652320.db2.gz CTNHSFYAVHAZNQ-UHFFFAOYSA-N 0 0 422.528 4.039 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC3CCOCC3)cc2)cc1SC ZINC000486554688 901701467 /nfs/dbraw/zinc/70/14/67/901701467.db2.gz ICQGUZNUMVZRGX-UHFFFAOYSA-N 0 0 417.487 4.169 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CS(=O)(=O)C(C)C)cc1 ZINC000486587159 901727260 /nfs/dbraw/zinc/72/72/60/901727260.db2.gz QKLGDENIAJFYEU-UHFFFAOYSA-N 0 0 422.528 4.282 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000486614379 901750138 /nfs/dbraw/zinc/75/01/38/901750138.db2.gz JFGOVHIYSMABPA-UHFFFAOYSA-N 0 0 415.515 4.114 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000486615922 901750238 /nfs/dbraw/zinc/75/02/38/901750238.db2.gz MNPNXQCQPOSTBQ-MRVPVSSYSA-N 0 0 400.382 4.135 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(Cl)ccc2n1C 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ZINC000488270846 902737911 /nfs/dbraw/zinc/73/79/11/902737911.db2.gz HPWKRMIEDPMRRI-HXUWFJFHSA-N 0 0 410.861 4.275 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000488283472 902746403 /nfs/dbraw/zinc/74/64/03/902746403.db2.gz UKOBHYFQPSGENT-UHFFFAOYSA-N 0 0 407.879 4.314 20 5 HIBDRN CC(C)CCn1ncc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C(C)C ZINC000488359173 902780748 /nfs/dbraw/zinc/78/07/48/902780748.db2.gz SRQUAWVCAHRKPU-UHFFFAOYSA-N 0 0 421.885 4.191 20 5 HIBDRN COc1c(F)cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F ZINC000488390224 902801316 /nfs/dbraw/zinc/80/13/16/902801316.db2.gz UIDSVEMWUKQMIP-UHFFFAOYSA-N 0 0 405.279 4.222 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000488404720 902811815 /nfs/dbraw/zinc/81/18/15/902811815.db2.gz QNIHOTHXBQRRRL-GOSISDBHSA-N 0 0 424.284 4.227 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000488418303 902818039 /nfs/dbraw/zinc/81/80/39/902818039.db2.gz IGLJADYFQBSPMC-NRFANRHFSA-N 0 0 417.893 4.269 20 5 HIBDRN O=C(Nc1ccnc(Sc2ccccn2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488445022 902828780 /nfs/dbraw/zinc/82/87/80/902828780.db2.gz YCQRKIFWQKQRPB-UHFFFAOYSA-N 0 0 418.381 4.390 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000505993891 914663100 /nfs/dbraw/zinc/66/31/00/914663100.db2.gz VQAZLJCPEMCJGX-YEODSOHDSA-N 0 0 424.423 4.057 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nncn2C)cc1 ZINC000488513642 902864217 /nfs/dbraw/zinc/86/42/17/902864217.db2.gz LAYVVJUKZOFTQL-UHFFFAOYSA-N 0 0 411.487 4.391 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cnn(-c2ccccc2)c1 ZINC000488538389 902875026 /nfs/dbraw/zinc/87/50/26/902875026.db2.gz RZLRCZMHOXUCTB-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1N1CCNC1=O ZINC000488699337 902949812 /nfs/dbraw/zinc/94/98/12/902949812.db2.gz OIMOWXSPVNKBLU-UHFFFAOYSA-N 0 0 414.487 4.186 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Sc2nnc(Cc3cccc(F)c3)o2)cccc1[N+](=O)[O-] ZINC000488812273 903018064 /nfs/dbraw/zinc/01/80/64/903018064.db2.gz DCFLMRLJXQGQCQ-GFCCVEGCSA-N 0 0 416.434 4.135 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CCCc2ccccc2)o1 ZINC000488813807 903018977 /nfs/dbraw/zinc/01/89/77/903018977.db2.gz ICHLUZPKJCWXOM-UHFFFAOYSA-N 0 0 412.471 4.192 20 5 HIBDRN Cc1cccc([C@@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000488851841 903041945 /nfs/dbraw/zinc/04/19/45/903041945.db2.gz IRZRIOHFCAONOO-LJQANCHMSA-N 0 0 417.893 4.190 20 5 HIBDRN O=C(Nc1ccc(Oc2ccccc2F)nc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000488874420 903051228 /nfs/dbraw/zinc/05/12/28/903051228.db2.gz CMZILOHRGTZCRU-UHFFFAOYSA-N 0 0 419.372 4.359 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Oc3ccccc3F)nc2)c([N+](=O)[O-])cc1OC ZINC000488883956 903056849 /nfs/dbraw/zinc/05/68/49/903056849.db2.gz QWBKAFYLYRQFAQ-UHFFFAOYSA-N 0 0 413.361 4.191 20 5 HIBDRN CCn1c(SCCOc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 ZINC000488900795 903067223 /nfs/dbraw/zinc/06/72/23/903067223.db2.gz RXENCRKJHYOHFA-UHFFFAOYSA-N 0 0 414.487 4.361 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)Nc2nc3cc(F)ccc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000488923195 903078217 /nfs/dbraw/zinc/07/82/17/903078217.db2.gz YBLFYWYBZHHKMQ-GFCCVEGCSA-N 0 0 420.404 4.431 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(-c2ccccc2)nn1 ZINC000488945080 903092672 /nfs/dbraw/zinc/09/26/72/903092672.db2.gz PCNAKGDHWGWLJF-UHFFFAOYSA-N 0 0 417.347 4.392 20 5 HIBDRN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000489004622 903115179 /nfs/dbraw/zinc/11/51/79/903115179.db2.gz DRJAEFPBXXVQHX-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489053490 903159297 /nfs/dbraw/zinc/15/92/97/903159297.db2.gz MSVHKSYWCIKRHK-UHFFFAOYSA-N 0 0 415.356 4.111 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCOC2(CCCC2)C1 ZINC000489053570 903159554 /nfs/dbraw/zinc/15/95/54/903159554.db2.gz XAHYLAJEBNZJJP-CYBMUJFWSA-N 0 0 418.437 4.314 20 5 HIBDRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000489121678 903210949 /nfs/dbraw/zinc/21/09/49/903210949.db2.gz JAVNPWWPYCACEG-HNNXBMFYSA-N 0 0 413.474 4.100 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000489142517 903228728 /nfs/dbraw/zinc/22/87/28/903228728.db2.gz QISAOQJUQNEDED-AWEZNQCLSA-N 0 0 412.421 4.300 20 5 HIBDRN COc1cc(CN2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506021466 914699755 /nfs/dbraw/zinc/69/97/55/914699755.db2.gz JPXKKILJJOVQLX-OAHLLOKOSA-N 0 0 413.396 4.220 20 5 HIBDRN O=C(NCCc1cccc(C(F)(F)F)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000489207641 903265353 /nfs/dbraw/zinc/26/53/53/903265353.db2.gz RZTDFABSJWGMEP-UHFFFAOYSA-N 0 0 422.388 4.105 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000489209109 903265489 /nfs/dbraw/zinc/26/54/89/903265489.db2.gz WXRFKLXHYTWNFH-HNNXBMFYSA-N 0 0 419.485 4.379 20 5 HIBDRN CN(Cc1ccc(F)c(F)c1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000489221519 903271518 /nfs/dbraw/zinc/27/15/18/903271518.db2.gz DZTIKWTUFHMQSH-UHFFFAOYSA-N 0 0 417.334 4.352 20 5 HIBDRN CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000489222672 903273254 /nfs/dbraw/zinc/27/32/54/903273254.db2.gz DPRFLZUCJNRTGZ-UHFFFAOYSA-N 0 0 403.523 4.049 20 5 HIBDRN Cc1cc(N(C)Cc2ccc(Br)o2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489253182 903289746 /nfs/dbraw/zinc/28/97/46/903289746.db2.gz XKIVSUYWDMTNDG-UHFFFAOYSA-N 0 0 403.236 4.352 20 5 HIBDRN Cc1csc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1Br ZINC000489272797 903299612 /nfs/dbraw/zinc/29/96/12/903299612.db2.gz BPVIUORXOICIKH-UHFFFAOYSA-N 0 0 413.249 4.141 20 5 HIBDRN O=[N+]([O-])c1cnn(CCSc2nnc(Cc3ccccc3)n2C2CCCCC2)c1 ZINC000489413740 903373049 /nfs/dbraw/zinc/37/30/49/903373049.db2.gz MVAXEJCOKJMAIH-UHFFFAOYSA-N 0 0 412.519 4.271 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000489430790 903380606 /nfs/dbraw/zinc/38/06/06/903380606.db2.gz DLUZCULNSMSCDS-IXDOHACOSA-N 0 0 402.516 4.089 20 5 HIBDRN C[C@H](CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](C)CO)c1ccccc1 ZINC000489451423 903389086 /nfs/dbraw/zinc/38/90/86/903389086.db2.gz YIYFFPPQDBYDCY-KGLIPLIRSA-N 0 0 410.392 4.240 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1Br ZINC000489461025 903397963 /nfs/dbraw/zinc/39/79/63/903397963.db2.gz XCPYEJIRYOFFTF-GFCCVEGCSA-N 0 0 409.305 4.197 20 5 HIBDRN C[C@H](CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000489490563 903418473 /nfs/dbraw/zinc/41/84/73/903418473.db2.gz BHSSLHSQLBTVEH-MSOLQXFVSA-N 0 0 419.481 4.284 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000489575581 903473320 /nfs/dbraw/zinc/47/33/20/903473320.db2.gz WAVTUKNXNCJJOO-YJBOKZPZSA-N 0 0 400.454 4.072 20 5 HIBDRN O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489602266 903492475 /nfs/dbraw/zinc/49/24/75/903492475.db2.gz ZHVFHKVDHZJCDL-UHFFFAOYSA-N 0 0 406.398 4.029 20 5 HIBDRN CCc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1CC ZINC000489665630 903528945 /nfs/dbraw/zinc/52/89/45/903528945.db2.gz JERUHKVUQRILPP-UHFFFAOYSA-N 0 0 411.487 4.252 20 5 HIBDRN CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 ZINC000489676015 903537515 /nfs/dbraw/zinc/53/75/15/903537515.db2.gz GIHXEJVTJFLJMX-LBPRGKRZSA-N 0 0 415.450 4.132 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H](OC(C)(C)C)c2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000489751359 903578345 /nfs/dbraw/zinc/57/83/45/903578345.db2.gz CEHDGUQORWRYMH-GOSISDBHSA-N 0 0 400.431 4.185 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c(C)c([N+](=O)[O-])c1 ZINC000489776670 903593881 /nfs/dbraw/zinc/59/38/81/903593881.db2.gz KJBAMRGRCHXNIA-UHFFFAOYSA-N 0 0 402.451 4.017 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1[N+](=O)[O-] ZINC000489869160 903642102 /nfs/dbraw/zinc/64/21/02/903642102.db2.gz GHGMLWREMAKBRA-OAHLLOKOSA-N 0 0 410.474 4.202 20 5 HIBDRN O=C(NCCNc1ncc(Cl)cc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489873304 903644014 /nfs/dbraw/zinc/64/40/14/903644014.db2.gz RTCYBVJVLYMDOB-UHFFFAOYSA-N 0 0 424.288 4.083 20 5 HIBDRN CCCOc1ccc(CNC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000489879538 903647630 /nfs/dbraw/zinc/64/76/30/903647630.db2.gz KNTWWYPJWLBYMP-SFHVURJKSA-N 0 0 401.463 4.343 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2)o1 ZINC000489882332 903649141 /nfs/dbraw/zinc/64/91/41/903649141.db2.gz HTWIIAZWTPUVEM-UHFFFAOYSA-N 0 0 404.329 4.061 20 5 HIBDRN CC(C)(NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000489902120 903661622 /nfs/dbraw/zinc/66/16/22/903661622.db2.gz YWVCVPQGSSDCSI-HXUWFJFHSA-N 0 0 408.433 4.453 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000489954554 903696499 /nfs/dbraw/zinc/69/64/99/903696499.db2.gz FUAPBCBTRTWUTK-NDEPHWFRSA-N 0 0 420.556 4.353 20 5 HIBDRN COC[C@H](c1ccc(Cl)cc1)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000490041605 903737901 /nfs/dbraw/zinc/73/79/01/903737901.db2.gz NHCWQMMCEQCBPG-QGZVFWFLSA-N 0 0 402.838 4.118 20 5 HIBDRN CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490042725 903738227 /nfs/dbraw/zinc/73/82/27/903738227.db2.gz JBTUPTRATXUFMM-INIZCTEOSA-N 0 0 423.473 4.192 20 5 HIBDRN COC[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000490057176 903747651 /nfs/dbraw/zinc/74/76/51/903747651.db2.gz HTRUJUBOBBFUQQ-KRWDZBQOSA-N 0 0 412.273 4.160 20 5 HIBDRN COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000490065200 903755724 /nfs/dbraw/zinc/75/57/24/903755724.db2.gz RRSZSHZFEXHEMD-KRWDZBQOSA-N 0 0 402.838 4.118 20 5 HIBDRN CCCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC000490072307 903759359 /nfs/dbraw/zinc/75/93/59/903759359.db2.gz BBBIBWOJUXHBMR-HNNXBMFYSA-N 0 0 403.454 4.290 20 5 HIBDRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000490174449 903811457 /nfs/dbraw/zinc/81/14/57/903811457.db2.gz PTLDWGNPJSPOMH-UHFFFAOYSA-N 0 0 419.821 4.010 20 5 HIBDRN C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000490288796 903877510 /nfs/dbraw/zinc/87/75/10/903877510.db2.gz QJXJNVJTXRJQTI-CYBMUJFWSA-N 0 0 403.866 4.059 20 5 HIBDRN O=C(Nc1cccc(OCC(F)F)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000490317245 903898260 /nfs/dbraw/zinc/89/82/60/903898260.db2.gz WOVJBIJBCVEDRF-UHFFFAOYSA-N 0 0 406.370 4.010 20 5 HIBDRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000490373885 903967236 /nfs/dbraw/zinc/96/72/36/903967236.db2.gz UGOZLIAAYVOZSV-CQSZACIVSA-N 0 0 409.446 4.218 20 5 HIBDRN O=C(COc1ccc(Cl)c2cccnc12)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490402114 903985848 /nfs/dbraw/zinc/98/58/48/903985848.db2.gz QFQZODJSKLLAAQ-UHFFFAOYSA-N 0 0 411.845 4.366 20 5 HIBDRN COc1cc(CN2CCc3c(F)ccc(F)c3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490404435 903989444 /nfs/dbraw/zinc/98/94/44/903989444.db2.gz RPWZVNLTMPKCPO-UHFFFAOYSA-N 0 0 414.355 4.084 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1ccc(-c2ccccc2)cc1F ZINC000490452941 904019332 /nfs/dbraw/zinc/01/93/32/904019332.db2.gz INRSZAONEQWAQR-UHFFFAOYSA-N 0 0 400.431 4.021 20 5 HIBDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000490477659 904031902 /nfs/dbraw/zinc/03/19/02/904031902.db2.gz FFTVONNEFAJFTO-UHFFFAOYSA-N 0 0 405.867 4.074 20 5 HIBDRN CC(C)CCn1ncc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1C(C)C ZINC000490481580 904035201 /nfs/dbraw/zinc/03/52/01/904035201.db2.gz XJFZJZRKBOHAHJ-UHFFFAOYSA-N 0 0 410.478 4.399 20 5 HIBDRN O=C(Nc1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1)c1cccnc1 ZINC000490541290 904087479 /nfs/dbraw/zinc/08/74/79/904087479.db2.gz HWLHZEGXWVEDDC-UHFFFAOYSA-N 0 0 416.437 4.047 20 5 HIBDRN O=C(NCC1(CCO)CCCC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000490543104 904089637 /nfs/dbraw/zinc/08/96/37/904089637.db2.gz JUOUXHMWNMQVEG-UHFFFAOYSA-N 0 0 400.500 4.419 20 5 HIBDRN O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490545889 904090848 /nfs/dbraw/zinc/09/08/48/904090848.db2.gz PMCOKLAGGOMLIX-UHFFFAOYSA-N 0 0 420.469 4.144 20 5 HIBDRN CC(C)N(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000490547393 904092955 /nfs/dbraw/zinc/09/29/55/904092955.db2.gz UHHZGIHFPGOKQI-UHFFFAOYSA-N 0 0 403.508 4.058 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCCO2 ZINC000490575411 904111672 /nfs/dbraw/zinc/11/16/72/904111672.db2.gz ASWMAHIWGGZJGT-UHFFFAOYSA-N 0 0 412.320 4.036 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000490584597 904116836 /nfs/dbraw/zinc/11/68/36/904116836.db2.gz IYLCFCNBTVAZEZ-UHFFFAOYSA-N 0 0 416.319 4.132 20 5 HIBDRN Cc1sc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1-c1ccc(C)cc1 ZINC000490649231 904154377 /nfs/dbraw/zinc/15/43/77/904154377.db2.gz NGDOXOUJJOQFKU-UHFFFAOYSA-N 0 0 424.482 4.012 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000490659171 904159185 /nfs/dbraw/zinc/15/91/85/904159185.db2.gz YYGWZKGHMMSMDZ-UHFFFAOYSA-N 0 0 408.785 4.088 20 5 HIBDRN CN(C(=O)c1cc(C(=O)N(C)C2(C)CCCC2)cc([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000490660983 904161453 /nfs/dbraw/zinc/16/14/53/904161453.db2.gz XSHXWOCQMINAHC-UHFFFAOYSA-N 0 0 401.507 4.404 20 5 HIBDRN O=C(Nc1nc2c(ccc(F)c2F)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000490712139 904186407 /nfs/dbraw/zinc/18/64/07/904186407.db2.gz VVIGSTOHCIEHBW-UHFFFAOYSA-N 0 0 401.297 4.336 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000490768115 904221341 /nfs/dbraw/zinc/22/13/41/904221341.db2.gz IBUPNJXRXIAPIN-UHFFFAOYSA-N 0 0 417.387 4.442 20 5 HIBDRN O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000490787425 904234174 /nfs/dbraw/zinc/23/41/74/904234174.db2.gz ABKLIYUKNWDUCP-QGZVFWFLSA-N 0 0 418.375 4.247 20 5 HIBDRN O=C(Cc1nc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1)Nc1ccccc1 ZINC000490798698 904246159 /nfs/dbraw/zinc/24/61/59/904246159.db2.gz YTNUALPJEKOWID-UHFFFAOYSA-N 0 0 422.510 4.397 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2nc3c(s2)CCCCC3)cc1[N+](=O)[O-] ZINC000490926197 904321010 /nfs/dbraw/zinc/32/10/10/904321010.db2.gz BKAUOZOHETYTIW-UHFFFAOYSA-N 0 0 407.517 4.201 20 5 HIBDRN CCc1cnccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000490964842 904340947 /nfs/dbraw/zinc/34/09/47/904340947.db2.gz VZNSWTKVGYEPPU-UHFFFAOYSA-N 0 0 407.426 4.283 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000506101743 914803916 /nfs/dbraw/zinc/80/39/16/914803916.db2.gz TWLVHBOIAQEXHR-AWEZNQCLSA-N 0 0 422.441 4.432 20 5 HIBDRN O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491020578 904374152 /nfs/dbraw/zinc/37/41/52/904374152.db2.gz NQHPIQLNNJSOIT-GCJKJVERSA-N 0 0 409.486 4.437 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000491076388 904414624 /nfs/dbraw/zinc/41/46/24/904414624.db2.gz LBNHIYADDWJDFI-UHFFFAOYSA-N 0 0 421.240 4.320 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000491079474 904416529 /nfs/dbraw/zinc/41/65/29/904416529.db2.gz QTMWIQQDTJYFSE-AWEZNQCLSA-N 0 0 417.556 4.428 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])cc1OC ZINC000491164213 904463509 /nfs/dbraw/zinc/46/35/09/904463509.db2.gz ZVPRUDVDDXJZBF-CQSZACIVSA-N 0 0 407.426 4.165 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cc(Br)ccc1F ZINC000506131860 914816469 /nfs/dbraw/zinc/81/64/69/914816469.db2.gz QMQRYHKZPGCLAV-UHFFFAOYSA-N 0 0 401.619 4.009 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000491313351 904532801 /nfs/dbraw/zinc/53/28/01/904532801.db2.gz WZJLAPZJJPPVRD-YADHBBJMSA-N 0 0 409.486 4.498 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1nc(C2CCCCC2)no1 ZINC000491344816 904548044 /nfs/dbraw/zinc/54/80/44/904548044.db2.gz AFPPBMOQOJEWEA-CQSZACIVSA-N 0 0 413.478 4.461 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccc(-n2cccn2)c1 ZINC000491398759 904579502 /nfs/dbraw/zinc/57/95/02/904579502.db2.gz XYBUSNYMGMOFQG-INIZCTEOSA-N 0 0 405.458 4.216 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1cccc(Br)c1 ZINC000491468558 904609916 /nfs/dbraw/zinc/60/99/16/904609916.db2.gz JCUPZTNQKYSWJC-UHFFFAOYSA-N 0 0 424.320 4.311 20 5 HIBDRN Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000491481658 904618539 /nfs/dbraw/zinc/61/85/39/904618539.db2.gz MSEZXNCXPWHALC-GOSISDBHSA-N 0 0 403.866 4.399 20 5 HIBDRN Cc1cccc2[nH]cc(CCNC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)c21 ZINC000491512286 904631756 /nfs/dbraw/zinc/63/17/56/904631756.db2.gz ASWKXVSJPMFKTP-UHFFFAOYSA-N 0 0 404.373 4.350 20 5 HIBDRN Cc1cc(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000491540891 904641771 /nfs/dbraw/zinc/64/17/71/904641771.db2.gz DPIHAKGWKMEJQJ-UHFFFAOYSA-N 0 0 402.472 4.262 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2ccc3c(c2)CCO3)cc1[N+](=O)[O-])c1ccccn1 ZINC000506181245 914835904 /nfs/dbraw/zinc/83/59/04/914835904.db2.gz ZPOQEUBUODILCD-AWEZNQCLSA-N 0 0 404.426 4.350 20 5 HIBDRN O=C(Nc1cccc(-n2ccnn2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000491900852 904724318 /nfs/dbraw/zinc/72/43/18/904724318.db2.gz VZGYPOVDFOYPPY-UHFFFAOYSA-N 0 0 414.425 4.040 20 5 HIBDRN Cc1ccc(CNc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000491997836 904755087 /nfs/dbraw/zinc/75/50/87/904755087.db2.gz IVSVCMNBBZLHEX-UHFFFAOYSA-N 0 0 411.483 4.457 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000506205846 914844461 /nfs/dbraw/zinc/84/44/61/914844461.db2.gz IBJFQLFAULDIQQ-HXUWFJFHSA-N 0 0 407.474 4.130 20 5 HIBDRN CCCCc1ccc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 ZINC000492183893 904811855 /nfs/dbraw/zinc/81/18/55/904811855.db2.gz XGWPEYNIMNJGPH-UHFFFAOYSA-N 0 0 406.442 4.044 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CNc1cccc(Oc2ccnc(C(=O)NC)c2)c1 ZINC000492205704 904813913 /nfs/dbraw/zinc/81/39/13/904813913.db2.gz BGLRITMFZPWKJS-UHFFFAOYSA-N 0 0 422.441 4.153 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ncc(C)c(OC)c1C ZINC000506209749 914846117 /nfs/dbraw/zinc/84/61/17/914846117.db2.gz LOPCMAORWAZBLG-UHFFFAOYSA-N 0 0 403.504 4.390 20 5 HIBDRN COC(=O)COc1ccc(CNCc2ccc(-c3ccccc3)cc2F)cc1[N+](=O)[O-] ZINC000492357928 904838814 /nfs/dbraw/zinc/83/88/14/904838814.db2.gz PUAIVIOKOXJHRV-UHFFFAOYSA-N 0 0 424.428 4.243 20 5 HIBDRN COc1cc([C@H](NCCc2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc(OC)c1OC ZINC000492426889 904848277 /nfs/dbraw/zinc/84/82/77/904848277.db2.gz XEMIDILGXXWVKR-SFHVURJKSA-N 0 0 414.380 4.056 20 5 HIBDRN CCOc1cc(CN2CCC(Oc3c(OC)cccc3OC)CC2)ccc1[N+](=O)[O-] ZINC000492460740 904852765 /nfs/dbraw/zinc/85/27/65/904852765.db2.gz JDPAZQBSJLPFEX-UHFFFAOYSA-N 0 0 416.474 4.054 20 5 HIBDRN COc1cc([C@@H](NCc2cccc([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC ZINC000492493131 904859411 /nfs/dbraw/zinc/85/94/11/904859411.db2.gz XSSJHYKFQDFQRG-QGZVFWFLSA-N 0 0 400.353 4.014 20 5 HIBDRN CCOc1cc(CNc2cccc(C(=O)OC)c2Br)ccc1[N+](=O)[O-] ZINC000492562831 904869494 /nfs/dbraw/zinc/86/94/94/904869494.db2.gz RVTKOPYMDPSUEN-UHFFFAOYSA-N 0 0 409.236 4.155 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCc4[nH]cnc4C3)cc2[N+](=O)[O-])cc1 ZINC000492693254 904889054 /nfs/dbraw/zinc/88/90/54/904889054.db2.gz VMJRADCFGGSTCX-OAHLLOKOSA-N 0 0 408.483 4.065 20 5 HIBDRN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000506228603 914852416 /nfs/dbraw/zinc/85/24/16/914852416.db2.gz WERDIVDTMVLEFW-IBGZPJMESA-N 0 0 409.490 4.288 20 5 HIBDRN CCOc1cc(CN(Cc2c(C)noc2C)Cc2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000492776615 904902828 /nfs/dbraw/zinc/90/28/28/904902828.db2.gz VDQKMNWNOYFIMX-UHFFFAOYSA-N 0 0 414.462 4.406 20 5 HIBDRN COc1cc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000506231424 914854124 /nfs/dbraw/zinc/85/41/24/914854124.db2.gz FXURUAPXWZTYTR-AWEZNQCLSA-N 0 0 422.441 4.432 20 5 HIBDRN COc1cc(CNc2ccc3nccnc3c2Br)c([N+](=O)[O-])cc1F ZINC000506234781 914856856 /nfs/dbraw/zinc/85/68/56/914856856.db2.gz KVKKFWINTUDWQB-UHFFFAOYSA-N 0 0 407.199 4.060 20 5 HIBDRN O=C(CCc1cccc(Br)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492915623 904951364 /nfs/dbraw/zinc/95/13/64/904951364.db2.gz ZZTRTXDYINJREW-UHFFFAOYSA-N 0 0 403.276 4.481 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000492938956 904960259 /nfs/dbraw/zinc/96/02/59/904960259.db2.gz WZWOMENKZQNVLD-MAUKXSAKSA-N 0 0 413.449 4.408 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000493007723 904986387 /nfs/dbraw/zinc/98/63/87/904986387.db2.gz ZWHCYBICAODVCR-SJLPKXTDSA-N 0 0 410.474 4.025 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000493037828 904999460 /nfs/dbraw/zinc/99/94/60/904999460.db2.gz YXCQVQCOSIVSCJ-MAUKXSAKSA-N 0 0 411.458 4.282 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000493133530 905027756 /nfs/dbraw/zinc/02/77/56/905027756.db2.gz PPQBDXFIMIWXAA-OXJNMPFZSA-N 0 0 415.465 4.494 20 5 HIBDRN CCO[C@H](C)c1nc(CN(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000493159788 905036958 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0 0 419.428 4.495 20 5 HIBDRN O=[N+]([O-])c1cccc([C@@H](NCc2ccnc(OC3CCOCC3)c2)c2ccccc2)c1 ZINC000493246046 905065671 /nfs/dbraw/zinc/06/56/71/905065671.db2.gz GTEFDEMRVJRLAQ-DEOSSOPVSA-N 0 0 419.481 4.427 20 5 HIBDRN C[C@H](Cc1cncc2ccccc21)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000493321185 905087621 /nfs/dbraw/zinc/08/76/21/905087621.db2.gz NWOWGXBOLVRONI-CQSZACIVSA-N 0 0 401.426 4.350 20 5 HIBDRN CC(C)Oc1cc(F)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000493344109 905091136 /nfs/dbraw/zinc/09/11/36/905091136.db2.gz LNSWTDTWRFRIKT-UHFFFAOYSA-N 0 0 411.227 4.465 20 5 HIBDRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)nc21 ZINC000493389061 905101888 /nfs/dbraw/zinc/10/18/88/905101888.db2.gz USUXSZMIAVZZGU-CQSZACIVSA-N 0 0 417.487 4.410 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1F ZINC000493412361 905111353 /nfs/dbraw/zinc/11/13/53/905111353.db2.gz NYKKFNMNSJEOQB-LSDHHAIUSA-N 0 0 415.465 4.470 20 5 HIBDRN 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O=C(NCCc1ccc2ccccc2n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499216713 908574144 /nfs/dbraw/zinc/57/41/44/908574144.db2.gz ZSQSVJNGGOZTHI-UHFFFAOYSA-N 0 0 404.451 4.239 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N(Cc1ccsc1)c1ccccc1 ZINC000499266986 908642748 /nfs/dbraw/zinc/64/27/48/908642748.db2.gz ORYRPQLSUOJIRJ-UHFFFAOYSA-N 0 0 402.497 4.235 20 5 HIBDRN C[C@H](Cc1ccc(Br)cc1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000512949981 921433237 /nfs/dbraw/zinc/43/32/37/921433237.db2.gz WGYZXFDBJOPSBK-CQSZACIVSA-N 0 0 405.292 4.237 20 5 HIBDRN COC(=O)c1cc(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)cc([N+](=O)[O-])c1 ZINC000499347962 908720536 /nfs/dbraw/zinc/72/05/36/908720536.db2.gz FRANBOYCABTLHG-HNNXBMFYSA-N 0 0 409.225 4.106 20 5 HIBDRN CCCc1nc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000499390863 908753607 /nfs/dbraw/zinc/75/36/07/908753607.db2.gz VLKMEOXVASIYOA-UHFFFAOYSA-N 0 0 413.865 4.054 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCCc1ccc(Br)s1 ZINC000512955596 921436295 /nfs/dbraw/zinc/43/62/95/921436295.db2.gz RYCKOMQORSTHAD-UHFFFAOYSA-N 0 0 411.321 4.443 20 5 HIBDRN CCc1cc(NC(=O)c2cc(F)ccc2Br)c2cc([N+](=O)[O-])ccc2n1 ZINC000499411432 908777067 /nfs/dbraw/zinc/77/70/67/908777067.db2.gz IQPJIDGAZFEEJG-UHFFFAOYSA-N 0 0 418.222 4.281 20 5 HIBDRN CCc1cc(NC(=O)c2cc(C3CC3)nc3onc(C)c32)c2cc([N+](=O)[O-])ccc2n1 ZINC000499420268 908785148 /nfs/dbraw/zinc/78/51/48/908785148.db2.gz LVSKESGUDJWTEH-UHFFFAOYSA-N 0 0 417.425 4.102 20 5 HIBDRN O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCCNc1ccccc1[N+](=O)[O-] ZINC000512960449 921439714 /nfs/dbraw/zinc/43/97/14/921439714.db2.gz BKBAJIQEYZWEJI-UHFFFAOYSA-N 0 0 422.919 4.204 20 5 HIBDRN O=C(NCCc1ccc(F)cc1Cl)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000499469242 908808513 /nfs/dbraw/zinc/80/85/13/908808513.db2.gz HEJXWFBIYJXPNK-UHFFFAOYSA-N 0 0 420.746 4.301 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000499476994 908810915 /nfs/dbraw/zinc/81/09/15/908810915.db2.gz YZYHOSBBHQQANZ-CQSZACIVSA-N 0 0 415.393 4.068 20 5 HIBDRN CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cc(Cl)cc(Cl)c1 ZINC000499516358 908825562 /nfs/dbraw/zinc/82/55/62/908825562.db2.gz ALMPGFORLZVHJR-UHFFFAOYSA-N 0 0 424.240 4.253 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(C)c1 ZINC000499632015 908861732 /nfs/dbraw/zinc/86/17/32/908861732.db2.gz BFHXOZYDQMAIIB-CQSZACIVSA-N 0 0 406.442 4.232 20 5 HIBDRN O=C(Nc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1)c1ccoc1 ZINC000499638442 908863352 /nfs/dbraw/zinc/86/33/52/908863352.db2.gz XPNCEVNYFHSRCG-UHFFFAOYSA-N 0 0 406.398 4.267 20 5 HIBDRN CCCCOc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000499667627 908871272 /nfs/dbraw/zinc/87/12/72/908871272.db2.gz NKVQPURSTLUHQX-UHFFFAOYSA-N 0 0 403.435 4.113 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000499685259 908876360 /nfs/dbraw/zinc/87/63/60/908876360.db2.gz GGHFTLBFEJNCBQ-UHFFFAOYSA-N 0 0 417.421 4.059 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000512973428 921447424 /nfs/dbraw/zinc/44/74/24/921447424.db2.gz NEEHIMDHMXSZIJ-UHFFFAOYSA-N 0 0 421.428 4.301 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000499771701 908912384 /nfs/dbraw/zinc/91/23/84/908912384.db2.gz FESKNVJRYMUCAC-UHFFFAOYSA-N 0 0 422.388 4.495 20 5 HIBDRN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000499932637 909040972 /nfs/dbraw/zinc/04/09/72/909040972.db2.gz NRXSCWBOKJHFHD-UHFFFAOYSA-N 0 0 408.458 4.317 20 5 HIBDRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000500027792 909482938 /nfs/dbraw/zinc/48/29/38/909482938.db2.gz MEYCDLLPKDWIET-HNNXBMFYSA-N 0 0 411.502 4.351 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2c(C)cc(Br)cc2C)cc([N+](=O)[O-])c1 ZINC000500064627 909532979 /nfs/dbraw/zinc/53/29/79/909532979.db2.gz KDKKOFLFGNUGIN-UHFFFAOYSA-N 0 0 421.247 4.403 20 5 HIBDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000500112549 909592285 /nfs/dbraw/zinc/59/22/85/909592285.db2.gz SHFTVVJAMBTNNW-NRFANRHFSA-N 0 0 421.501 4.034 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500160953 909640929 /nfs/dbraw/zinc/64/09/29/909640929.db2.gz DOCFXILJUMISIF-UHFFFAOYSA-N 0 0 405.857 4.456 20 5 HIBDRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000500272588 909752641 /nfs/dbraw/zinc/75/26/41/909752641.db2.gz FOCNSQZIVKCKAJ-CYBMUJFWSA-N 0 0 408.376 4.472 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000500272589 909752844 /nfs/dbraw/zinc/75/28/44/909752844.db2.gz FOCNSQZIVKCKAJ-ZDUSSCGKSA-N 0 0 408.376 4.472 20 5 HIBDRN CO[C@H]1Cc2ccccc2N(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000500309740 909772002 /nfs/dbraw/zinc/77/20/02/909772002.db2.gz VPDFAOCVSFMTSC-LPHOPBHVSA-N 0 0 409.486 4.049 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000500330995 909792303 /nfs/dbraw/zinc/79/23/03/909792303.db2.gz LXKRHZFXVQUNRL-STQMWFEESA-N 0 0 423.391 4.169 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000500337429 909798314 /nfs/dbraw/zinc/79/83/14/909798314.db2.gz QGUSSPVKHYHDSO-LJQANCHMSA-N 0 0 406.891 4.102 20 5 HIBDRN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2)n1 ZINC000500348781 909804748 /nfs/dbraw/zinc/80/47/48/909804748.db2.gz WZRJBQIGRQUCBH-UHFFFAOYSA-N 0 0 404.382 4.318 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1(Cc2cccc(F)c2)CCOCC1 ZINC000500412694 909843670 /nfs/dbraw/zinc/84/36/70/909843670.db2.gz XAOSFBOWIIFPQQ-UHFFFAOYSA-N 0 0 406.841 4.043 20 5 HIBDRN Cc1ccc(C[C@@H]2CCCN2c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 ZINC000500412649 909844024 /nfs/dbraw/zinc/84/40/24/909844024.db2.gz DXDNSALKMHPKBN-IBGZPJMESA-N 0 0 404.470 4.079 20 5 HIBDRN COCCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000500431271 909852941 /nfs/dbraw/zinc/85/29/41/909852941.db2.gz IWTYKIPCDUHLFD-ZDUSSCGKSA-N 0 0 424.400 4.055 20 5 HIBDRN O=[N+]([O-])c1ccc2nc(N3CCC(c4nc(-c5ccccc5)n[nH]4)CC3)ccc2c1 ZINC000500437207 909857275 /nfs/dbraw/zinc/85/72/75/909857275.db2.gz CDMDWBNZGTUVMO-UHFFFAOYSA-N 0 0 400.442 4.312 20 5 HIBDRN COc1cccc(C2(F)CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)c1 ZINC000513075799 921529208 /nfs/dbraw/zinc/52/92/08/921529208.db2.gz MEBSMCPNGZSVOD-UHFFFAOYSA-N 0 0 410.243 4.226 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)cc1 ZINC000500486014 909886061 /nfs/dbraw/zinc/88/60/61/909886061.db2.gz JQPIHHLEIBEVED-UHFFFAOYSA-N 0 0 403.847 4.039 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1C ZINC000500528954 909909415 /nfs/dbraw/zinc/90/94/15/909909415.db2.gz GLJVFMZLGVJDJR-AWEZNQCLSA-N 0 0 417.512 4.375 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000500538839 909914939 /nfs/dbraw/zinc/91/49/39/909914939.db2.gz SCLKTGQLURJGCE-CYBMUJFWSA-N 0 0 417.512 4.320 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000500746255 910056123 /nfs/dbraw/zinc/05/61/23/910056123.db2.gz IYPIFXPJPHTYOP-LLVKDONJSA-N 0 0 412.273 4.369 20 5 HIBDRN Cc1cccn2cc(COc3ccc(C(=O)NCc4ccccc4[N+](=O)[O-])cc3)nc12 ZINC000500789333 910081107 /nfs/dbraw/zinc/08/11/07/910081107.db2.gz ZIGOQTBNJFLCHL-UHFFFAOYSA-N 0 0 416.437 4.060 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000500820578 910101413 /nfs/dbraw/zinc/10/14/13/910101413.db2.gz GEYKURASOVZPIN-OAQYLSRUSA-N 0 0 410.495 4.041 20 5 HIBDRN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000500873456 910146762 /nfs/dbraw/zinc/14/67/62/910146762.db2.gz CWRALIVLNNRCIH-UHFFFAOYSA-N 0 0 415.298 4.441 20 5 HIBDRN COCCN(Cc1ccc(F)cc1Cl)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000500877566 910149673 /nfs/dbraw/zinc/14/96/73/910149673.db2.gz GKBCCIFYIWQAFH-UHFFFAOYSA-N 0 0 405.813 4.157 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)COc2c(C)cccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000500969015 910212354 /nfs/dbraw/zinc/21/23/54/910212354.db2.gz WPKLLJAFHLTJHP-CYBMUJFWSA-N 0 0 424.400 4.019 20 5 HIBDRN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000501036992 910251689 /nfs/dbraw/zinc/25/16/89/910251689.db2.gz OXQWPUPGLNGXKO-KRWDZBQOSA-N 0 0 406.845 4.346 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1)c1ccccc1[N+](=O)[O-] ZINC000501059018 910269525 /nfs/dbraw/zinc/26/95/25/910269525.db2.gz UBDAXYOOPRWBAA-SFHVURJKSA-N 0 0 406.841 4.265 20 5 HIBDRN CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 ZINC000501119743 910303259 /nfs/dbraw/zinc/30/32/59/910303259.db2.gz WLRFNEGEDGSGJE-UHFFFAOYSA-N 0 0 405.410 4.389 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000501140077 910319405 /nfs/dbraw/zinc/31/94/05/910319405.db2.gz DPMBSJACYVGHQD-UHFFFAOYSA-N 0 0 419.359 4.322 20 5 HIBDRN CC(C)(C)n1ncnc1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000501248952 910408055 /nfs/dbraw/zinc/40/80/55/910408055.db2.gz CNXGVJZMEAFVNN-UHFFFAOYSA-N 0 0 411.487 4.023 20 5 HIBDRN Cc1cc(C)cc([C@H](C)Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1 ZINC000501295811 910450466 /nfs/dbraw/zinc/45/04/66/910450466.db2.gz ABLDRGNKCNDKFM-INIZCTEOSA-N 0 0 403.504 4.169 20 5 HIBDRN CCOc1ccc(C(=O)N(CCc2ccccc2)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000501310267 910461023 /nfs/dbraw/zinc/46/10/23/910461023.db2.gz SUOAEQYVZJAPBP-UHFFFAOYSA-N 0 0 405.454 4.274 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000513148238 921584673 /nfs/dbraw/zinc/58/46/73/921584673.db2.gz FNQQOJFPQNYWHM-SFHVURJKSA-N 0 0 406.364 4.216 20 5 HIBDRN CC(=O)C[C@@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000501443278 910570017 /nfs/dbraw/zinc/57/00/17/910570017.db2.gz CWVUNPOJIFZETG-LLVKDONJSA-N 0 0 415.496 4.453 20 5 HIBDRN CN(C(=O)c1c([N+](=O)[O-])cnn1C)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000501515303 910625345 /nfs/dbraw/zinc/62/53/45/910625345.db2.gz WEFBKLAPJYWHDB-UHFFFAOYSA-N 0 0 419.268 4.497 20 5 HIBDRN C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000501583337 910688981 /nfs/dbraw/zinc/68/89/81/910688981.db2.gz XDELRAMNMUOOOF-LLVKDONJSA-N 0 0 402.248 4.200 20 5 HIBDRN CN(CCO)C(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccc([N+](=O)[O-])c1 ZINC000501669932 910747135 /nfs/dbraw/zinc/74/71/35/910747135.db2.gz AQXHNCDXUFUBSE-VKAVYKQESA-N 0 0 417.465 4.084 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@](C)(O)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000501700120 910769127 /nfs/dbraw/zinc/76/91/27/910769127.db2.gz LQPXWZZYQBOVBP-FQEVSTJZSA-N 0 0 420.849 4.036 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@]2(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000501739497 910799751 /nfs/dbraw/zinc/79/97/51/910799751.db2.gz APYOVEVKMIASGL-UWJYYQICSA-N 0 0 400.500 4.147 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccnc(OCc2ccccc2)c1 ZINC000501779584 910834922 /nfs/dbraw/zinc/83/49/22/910834922.db2.gz YEOUBKVZGTYRNH-UHFFFAOYSA-N 0 0 402.410 4.231 20 5 HIBDRN CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)no1 ZINC000501782793 910837721 /nfs/dbraw/zinc/83/77/21/910837721.db2.gz WQFOUQZXBXRSAR-SFHVURJKSA-N 0 0 424.461 4.044 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2nc3ccccc3n2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000501840265 910881245 /nfs/dbraw/zinc/88/12/45/910881245.db2.gz BWYCXMFBRZFKDL-UHFFFAOYSA-N 0 0 422.441 4.489 20 5 HIBDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501864214 910893669 /nfs/dbraw/zinc/89/36/69/910893669.db2.gz QIIMSRHACCLGMT-IFXJQAMLSA-N 0 0 403.866 4.039 20 5 HIBDRN C[C@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000501885211 910904277 /nfs/dbraw/zinc/90/42/77/910904277.db2.gz XBGRWLZUXNQWPD-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN O=C(NCCCc1c[nH]c2ccc(F)cc12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000502003608 910972905 /nfs/dbraw/zinc/97/29/05/910972905.db2.gz SNYXFVQHRIQWRN-UHFFFAOYSA-N 0 0 407.348 4.179 20 5 HIBDRN COc1cc(C(=O)NCc2cc3ccccc3s2)c([N+](=O)[O-])cc1OC(F)F ZINC000502008656 910975786 /nfs/dbraw/zinc/97/57/86/910975786.db2.gz IIFCHTODAJXNGH-UHFFFAOYSA-N 0 0 408.382 4.350 20 5 HIBDRN Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000502096188 911034228 /nfs/dbraw/zinc/03/42/28/911034228.db2.gz VEJGZSXHLZAGGO-KBPBESRZSA-N 0 0 423.473 4.301 20 5 HIBDRN O=c1c([N+](=O)[O-])cc(Br)cn1CCCOc1cccc(C(F)(F)F)c1 ZINC000502133160 911060305 /nfs/dbraw/zinc/06/03/05/911060305.db2.gz IOCMJZOCFVNQRI-UHFFFAOYSA-N 0 0 421.169 4.007 20 5 HIBDRN Cc1cnc(OCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000502136354 911061353 /nfs/dbraw/zinc/06/13/53/911061353.db2.gz BKZHEAFECXATBK-UHFFFAOYSA-N 0 0 421.457 4.159 20 5 HIBDRN O=C(CNc1cccc(OCc2ccc(F)cc2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000502146994 911068371 /nfs/dbraw/zinc/06/83/71/911068371.db2.gz URZIFOXXHKTQRO-UHFFFAOYSA-N 0 0 421.428 4.314 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000502180216 911108002 /nfs/dbraw/zinc/10/80/02/911108002.db2.gz FUWIMVVHRMNUGZ-NRFANRHFSA-N 0 0 424.888 4.469 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000502281335 911235024 /nfs/dbraw/zinc/23/50/24/911235024.db2.gz HTIQFJDVWWAYFG-MRXNPFEDSA-N 0 0 415.877 4.142 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000502321464 911297419 /nfs/dbraw/zinc/29/74/19/911297419.db2.gz XZSCPJLHGLIFJZ-OAHLLOKOSA-N 0 0 406.435 4.023 20 5 HIBDRN CCOc1cc(NC(=O)Nc2cc(OC)c(OC)cc2C)c([N+](=O)[O-])cc1OCC ZINC000502327553 911304485 /nfs/dbraw/zinc/30/44/85/911304485.db2.gz UDLNBUZHLOLGFP-UHFFFAOYSA-N 0 0 419.434 4.362 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)cc([N+](=O)[O-])c1 ZINC000502394955 911379747 /nfs/dbraw/zinc/37/97/47/911379747.db2.gz WIUHCULHUPHECB-AWEZNQCLSA-N 0 0 420.824 4.021 20 5 HIBDRN CN(CCCCCc1cc(-c2cccc(F)c2)no1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000502407171 911390056 /nfs/dbraw/zinc/39/00/56/911390056.db2.gz JYWQLVZYLIHTPY-UHFFFAOYSA-N 0 0 424.436 4.281 20 5 HIBDRN COc1cccc(CSCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])n1 ZINC000502467829 911456965 /nfs/dbraw/zinc/45/69/65/911456965.db2.gz YGNCZWCBIRKART-UHFFFAOYSA-N 0 0 400.403 4.084 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N(C)CCN(C)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000502484688 911482247 /nfs/dbraw/zinc/48/22/47/911482247.db2.gz ZETTZECFXFEUIN-UHFFFAOYSA-N 0 0 410.518 4.040 20 5 HIBDRN COC(=O)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cccc2ccccc21 ZINC000502589387 911592566 /nfs/dbraw/zinc/59/25/66/911592566.db2.gz RAGPMIYMLLGMGN-SFHVURJKSA-N 0 0 421.453 4.210 20 5 HIBDRN C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000502616008 911641137 /nfs/dbraw/zinc/64/11/37/911641137.db2.gz FJQSKGDHTNUUBP-CQSZACIVSA-N 0 0 411.487 4.191 20 5 HIBDRN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000502707442 911740093 /nfs/dbraw/zinc/74/00/93/911740093.db2.gz FNNATJHXLODGRG-NRFANRHFSA-N 0 0 423.513 4.376 20 5 HIBDRN COc1ccc(CNc2ncnc3c2c(C)c(C)n3Cc2ccco2)cc1[N+](=O)[O-] ZINC000502733609 911759656 /nfs/dbraw/zinc/75/96/56/911759656.db2.gz CGABGJPFTJLMDW-UHFFFAOYSA-N 0 0 407.430 4.218 20 5 HIBDRN CC[C@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000513297993 921694483 /nfs/dbraw/zinc/69/44/83/921694483.db2.gz BYNLVEMHHZQIJS-KRWDZBQOSA-N 0 0 404.488 4.113 20 5 HIBDRN CC[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000513298147 921694547 /nfs/dbraw/zinc/69/45/47/921694547.db2.gz DYQPCKFMWKWPSR-MRXNPFEDSA-N 0 0 412.364 4.426 20 5 HIBDRN O=C(Nc1cccc2ccsc21)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000502936030 911921418 /nfs/dbraw/zinc/92/14/18/911921418.db2.gz OZWXEBYLVUEEGG-CYBMUJFWSA-N 0 0 401.469 4.114 20 5 HIBDRN CC[C@H]1CCc2nc(NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)sc2C1 ZINC000502983019 911961317 /nfs/dbraw/zinc/96/13/17/911961317.db2.gz OPWIFWPQSQKALH-LBPRGKRZSA-N 0 0 421.544 4.447 20 5 HIBDRN Cc1sc(C(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000503149900 912116985 /nfs/dbraw/zinc/11/69/85/912116985.db2.gz RGKYMNJXNDWAFM-LJQANCHMSA-N 0 0 406.467 4.371 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cccc(Br)c2Cl)cc([N+](=O)[O-])c1 ZINC000503154858 912120667 /nfs/dbraw/zinc/12/06/67/912120667.db2.gz YFAAQFZXZBSIGU-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN C[C@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000503215436 912196908 /nfs/dbraw/zinc/19/69/08/912196908.db2.gz GKXMHHSOBRITPI-JTQLQIEISA-N 0 0 421.791 4.258 20 5 HIBDRN CCCOc1cc(NC(=O)N[C@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCCC ZINC000506287965 914885986 /nfs/dbraw/zinc/88/59/86/914885986.db2.gz ZSFAOZSPFROIFD-CABCVRRESA-N 0 0 409.483 4.109 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000506304726 914896222 /nfs/dbraw/zinc/89/62/22/914896222.db2.gz KBVDYDVLYLPPSP-GDBMZVCRSA-N 0 0 403.866 4.481 20 5 HIBDRN COc1cc(CN2CCC(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506438177 915039901 /nfs/dbraw/zinc/03/99/01/915039901.db2.gz GPKXOOZIJAQRGB-UHFFFAOYSA-N 0 0 416.318 4.319 20 5 HIBDRN COC(=O)c1cccc(-c2nc(COc3c(Cl)cncc3[N+](=O)[O-])cs2)c1 ZINC000506559914 915206677 /nfs/dbraw/zinc/20/66/77/915206677.db2.gz HJEJNTGGMPCUDT-UHFFFAOYSA-N 0 0 405.819 4.132 20 5 HIBDRN O=C(COc1c(Cl)cncc1[N+](=O)[O-])N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000506578783 915227417 /nfs/dbraw/zinc/22/74/17/915227417.db2.gz MZHKXODZOJXEQH-SFHVURJKSA-N 0 0 407.829 4.209 20 5 HIBDRN COc1cc(C)c(Br)cc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000513381149 921756057 /nfs/dbraw/zinc/75/60/57/921756057.db2.gz PKJCJETZKDNDPX-UHFFFAOYSA-N 0 0 405.248 4.267 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000506653451 915324299 /nfs/dbraw/zinc/32/42/99/915324299.db2.gz GICGZSWVYRBKFF-UHFFFAOYSA-N 0 0 404.426 4.211 20 5 HIBDRN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2)cc1 ZINC000506720234 915399237 /nfs/dbraw/zinc/39/92/37/915399237.db2.gz RMDHMBFCKCSOSN-UHFFFAOYSA-N 0 0 420.425 4.202 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000506733485 915418404 /nfs/dbraw/zinc/41/84/04/915418404.db2.gz AXZZXIXYQKJBKP-UHFFFAOYSA-N 0 0 402.451 4.085 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000513407308 921775440 /nfs/dbraw/zinc/77/54/40/921775440.db2.gz CNSPQWSGHSJYJY-DLBZAZTESA-N 0 0 421.563 4.110 20 5 HIBDRN COc1ccc(COc2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1[N+](=O)[O-] ZINC000506796380 915531482 /nfs/dbraw/zinc/53/14/82/915531482.db2.gz OSRYSRHTVXNXKA-UHFFFAOYSA-N 0 0 418.449 4.381 20 5 HIBDRN Cc1c([C@@H](C)Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cnn1-c1ccc(F)cc1 ZINC000506833891 915608758 /nfs/dbraw/zinc/60/87/58/915608758.db2.gz SINPAEDHKXVRBK-GFCCVEGCSA-N 0 0 409.421 4.286 20 5 HIBDRN O=C(Nc1ccc(Oc2ccccn2)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000506840366 915617894 /nfs/dbraw/zinc/61/78/94/915617894.db2.gz PHEFAXPMJSRTHL-UHFFFAOYSA-N 0 0 419.441 4.136 20 5 HIBDRN C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000506902066 915700604 /nfs/dbraw/zinc/70/06/04/915700604.db2.gz ZVVXBDFEJZCRTJ-YPMHNXCESA-N 0 0 405.501 4.051 20 5 HIBDRN O=C(Nc1nc(C(F)(F)F)c[nH]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000506904550 915703850 /nfs/dbraw/zinc/70/38/50/915703850.db2.gz LLFSNBXVGXNKER-UHFFFAOYSA-N 0 0 406.320 4.168 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000506928924 915730418 /nfs/dbraw/zinc/73/04/18/915730418.db2.gz DJMKWGQQXWJPAE-UHFFFAOYSA-N 0 0 422.268 4.279 20 5 HIBDRN Cc1cccc(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)c1[N+](=O)[O-] ZINC000506960688 915769081 /nfs/dbraw/zinc/76/90/81/915769081.db2.gz CTXNWPXNOIUNPA-UHFFFAOYSA-N 0 0 407.249 4.370 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000506970921 915777210 /nfs/dbraw/zinc/77/72/10/915777210.db2.gz OZLGHUPSLMGKCR-UHFFFAOYSA-N 0 0 415.877 4.242 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000506977988 915784880 /nfs/dbraw/zinc/78/48/80/915784880.db2.gz CHGDCRXQXBBFQU-UHFFFAOYSA-N 0 0 407.249 4.370 20 5 HIBDRN CCc1cccc2c1OCC[C@@H]2NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000507000019 915813154 /nfs/dbraw/zinc/81/31/54/915813154.db2.gz GXVLIVBRCSQYQM-NRFANRHFSA-N 0 0 412.489 4.357 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000507041041 915836753 /nfs/dbraw/zinc/83/67/53/915836753.db2.gz NVPOSCUFFILURB-MRXNPFEDSA-N 0 0 402.520 4.274 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000513432177 921801279 /nfs/dbraw/zinc/80/12/79/921801279.db2.gz OSQJBTHOUDIPJO-AWEZNQCLSA-N 0 0 401.463 4.216 20 5 HIBDRN CC(C)S(=O)(=O)c1ccc(CSCc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000507135655 915883902 /nfs/dbraw/zinc/88/39/02/915883902.db2.gz UECMIAGSAGFHIQ-UHFFFAOYSA-N 0 0 401.456 4.489 20 5 HIBDRN C[C@@H](N[C@@H](C)c1ccc(Br)cc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000507245058 916005580 /nfs/dbraw/zinc/00/55/80/916005580.db2.gz WDWOONLGPWHHGD-WDEREUQCSA-N 0 0 410.243 4.174 20 5 HIBDRN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000507245056 916006176 /nfs/dbraw/zinc/00/61/76/916006176.db2.gz WDWOONLGPWHHGD-MNOVXSKESA-N 0 0 410.243 4.174 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000507254795 916014488 /nfs/dbraw/zinc/01/44/88/916014488.db2.gz XEVRODLVMWGQMM-NWDGAFQWSA-N 0 0 424.270 4.483 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC000507291282 916058797 /nfs/dbraw/zinc/05/87/97/916058797.db2.gz MMZSAHLJYQLJSC-DOTOQJQBSA-N 0 0 402.516 4.381 20 5 HIBDRN COCCSc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000507334580 916091427 /nfs/dbraw/zinc/09/14/27/916091427.db2.gz QQLWATHLLSAGHQ-GJZGRUSLSA-N 0 0 403.504 4.455 20 5 HIBDRN Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000507382557 916142385 /nfs/dbraw/zinc/14/23/85/916142385.db2.gz PDPLIEYYGXXNTF-UHFFFAOYSA-N 0 0 410.474 4.169 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000507483782 916251888 /nfs/dbraw/zinc/25/18/88/916251888.db2.gz OWFCQPBEOHHCFF-CYBMUJFWSA-N 0 0 412.870 4.092 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000507496541 916262220 /nfs/dbraw/zinc/26/22/20/916262220.db2.gz GUWMJEAPCSWMOJ-AWEZNQCLSA-N 0 0 403.485 4.039 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](c2nccs2)c2ccccc2)cc1[N+](=O)[O-] ZINC000507562485 916317719 /nfs/dbraw/zinc/31/77/19/916317719.db2.gz DHYHIUIGQGYYLP-INIZCTEOSA-N 0 0 423.903 4.081 20 5 HIBDRN CS(=O)(=O)c1cc(SCCOc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000507613712 916372407 /nfs/dbraw/zinc/37/24/07/916372407.db2.gz DPCPHHBDMYOKJZ-UHFFFAOYSA-N 0 0 422.311 4.476 20 5 HIBDRN Cc1ccccc1-c1noc([C@@H](C)Sc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)n1 ZINC000507620440 916378917 /nfs/dbraw/zinc/37/89/17/916378917.db2.gz UYJHFCFLDCOQSN-GFCCVEGCSA-N 0 0 419.484 4.210 20 5 HIBDRN O=C(CC[S@@](=O)Cc1cc(Cl)ccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000507680317 916451124 /nfs/dbraw/zinc/45/11/24/916451124.db2.gz ZJMIFOLCEGCHCO-RUZDIDTESA-N 0 0 401.271 4.179 20 5 HIBDRN COc1cc(CN(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1SC ZINC000507682295 916453047 /nfs/dbraw/zinc/45/30/47/916453047.db2.gz CGHRYORRUJFALR-UHFFFAOYSA-N 0 0 400.460 4.007 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(Cn3cccn3)no2)ccc1NCc1ccccc1Cl ZINC000507704400 916488931 /nfs/dbraw/zinc/48/89/31/916488931.db2.gz SCQPWDINSPIZMM-UHFFFAOYSA-N 0 0 410.821 4.155 20 5 HIBDRN O=C(CCS(=O)(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000507709585 916500035 /nfs/dbraw/zinc/50/00/35/916500035.db2.gz QUMWLFPSMCALKC-UHFFFAOYSA-N 0 0 424.478 4.205 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC000507766210 916551323 /nfs/dbraw/zinc/55/13/23/916551323.db2.gz JABRYCNTWYNJRZ-UHFFFAOYSA-N 0 0 423.391 4.152 20 5 HIBDRN Cc1cc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cnc1N1CCCC[C@H]1C ZINC000507824567 916621387 /nfs/dbraw/zinc/62/13/87/916621387.db2.gz JYKKAUCWGHZVIQ-CQSZACIVSA-N 0 0 421.457 4.183 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000507858130 916688334 /nfs/dbraw/zinc/68/83/34/916688334.db2.gz 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4.079 20 5 HIBDRN Nc1c(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc(F)cc1[N+](=O)[O-] ZINC000512059886 920827868 /nfs/dbraw/zinc/82/78/68/920827868.db2.gz SALSZXMLLFMFGL-UHFFFAOYSA-N 0 0 406.826 4.269 20 5 HIBDRN COc1ccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000512103845 920862422 /nfs/dbraw/zinc/86/24/22/920862422.db2.gz DBGBMDILEFGAAS-UHFFFAOYSA-N 0 0 411.380 4.006 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN[C@H](CCO)c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000512160851 920898428 /nfs/dbraw/zinc/89/84/28/920898428.db2.gz BVORDNHQTGMREN-MRXNPFEDSA-N 0 0 423.256 4.165 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)ccc1[N+](=O)[O-] ZINC000512191788 920935933 /nfs/dbraw/zinc/93/59/33/920935933.db2.gz AKQGXPJHNUGNOU-UHFFFAOYSA-N 0 0 422.393 4.163 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000512217410 920967874 /nfs/dbraw/zinc/96/78/74/920967874.db2.gz QFUDZUQNSDPEHW-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000512219113 920969736 /nfs/dbraw/zinc/96/97/36/920969736.db2.gz XVWMAXIYABTDRD-WIYYLYMNSA-N 0 0 423.513 4.095 20 5 HIBDRN Cc1ccc(-c2nc(C)c(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)s2)o1 ZINC000512239962 920996384 /nfs/dbraw/zinc/99/63/84/920996384.db2.gz GQERDIONXVNXAO-UHFFFAOYSA-N 0 0 415.427 4.342 20 5 HIBDRN C[C@H]1c2cccc(Br)c2CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000512318724 921070194 /nfs/dbraw/zinc/07/01/94/921070194.db2.gz CGLMHVHAGBXCHE-NSHDSACASA-N 0 0 407.239 4.185 20 5 HIBDRN CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000512338422 921084124 /nfs/dbraw/zinc/08/41/24/921084124.db2.gz MEYLAACUUHKAND-CZUORRHYSA-N 0 0 419.503 4.338 20 5 HIBDRN CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000512338420 921084437 /nfs/dbraw/zinc/08/44/37/921084437.db2.gz MEYLAACUUHKAND-CJNGLKHVSA-N 0 0 419.503 4.338 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000512339000 921084598 /nfs/dbraw/zinc/08/45/98/921084598.db2.gz PGVPROWSKBLQPB-DZGCQCFKSA-N 0 0 419.503 4.290 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000513477512 921835730 /nfs/dbraw/zinc/83/57/30/921835730.db2.gz SQJJNWZERZNVJK-RDTXWAMCSA-N 0 0 405.223 4.339 20 5 HIBDRN O=C(Cc1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1)Nc1ccc(Cl)cc1 ZINC000513591626 921921848 /nfs/dbraw/zinc/92/18/48/921921848.db2.gz HZECTWLZGFSGCZ-UHFFFAOYSA-N 0 0 424.747 4.081 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2nc(C3CC3)nc2C2CC2)cc1OC ZINC000513640696 921965362 /nfs/dbraw/zinc/96/53/62/921965362.db2.gz QWKFVQRGMZKCEJ-CYBMUJFWSA-N 0 0 400.479 4.423 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CNc2cccc(C(=O)NC)c2)cc1OC ZINC000513646038 921968373 /nfs/dbraw/zinc/96/83/73/921968373.db2.gz SMOLSIMOSVORCQ-AWEZNQCLSA-N 0 0 401.463 4.000 20 5 HIBDRN Cc1cc(NCCc2coc(-c3ccc(F)cc3)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513650904 921973011 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409.471 4.232 20 5 HIBDRN O=C(NCCOc1ccc2ccccc2c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513719342 922039880 /nfs/dbraw/zinc/03/98/80/922039880.db2.gz BMBZPLDKJMGDSO-UHFFFAOYSA-N 0 0 402.353 4.158 20 5 HIBDRN COc1ccc2ccccc2c1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513729822 922050307 /nfs/dbraw/zinc/05/03/07/922050307.db2.gz GZRLNBXDSQBICO-UHFFFAOYSA-N 0 0 402.353 4.288 20 5 HIBDRN O=C(NCCOc1ccccc1C(F)(F)F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513743723 922063564 /nfs/dbraw/zinc/06/35/64/922063564.db2.gz AXKPQVVVWOGBMM-UHFFFAOYSA-N 0 0 420.290 4.024 20 5 HIBDRN COc1cccc(C2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC2)c1 ZINC000513745173 922065936 /nfs/dbraw/zinc/06/59/36/922065936.db2.gz VPRFDYJYQIBSHN-UHFFFAOYSA-N 0 0 406.385 4.225 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)ccc1[N+](=O)[O-] ZINC000513756613 922076334 /nfs/dbraw/zinc/07/63/34/922076334.db2.gz GYPXNGXJTGHNNO-UHFFFAOYSA-N 0 0 411.458 4.036 20 5 HIBDRN Cc1ccc(CNC(=O)c2nnc(CSCc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000513820534 922143433 /nfs/dbraw/zinc/14/34/33/922143433.db2.gz QZLSUHDTTHYFFH-UHFFFAOYSA-N 0 0 414.512 4.118 20 5 HIBDRN COc1cc(Cl)c(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000513828470 922154308 /nfs/dbraw/zinc/15/43/08/922154308.db2.gz KKVWSZCXNIABLT-UHFFFAOYSA-N 0 0 416.821 4.012 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N1CCCc3c([N+](=O)[O-])cccc31)O[C@H](C)C2 ZINC000513836262 922162946 /nfs/dbraw/zinc/16/29/46/922162946.db2.gz DTTUSZKZHWKKHL-LJHODMEESA-N 0 0 422.481 4.400 20 5 HIBDRN CCN(CCc1nccs1)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000513837432 922165033 /nfs/dbraw/zinc/16/50/33/922165033.db2.gz AAFJVELTHSRNHV-IYBDPMFKSA-N 0 0 416.547 4.238 20 5 HIBDRN O=C(Cc1ccc(OCc2ccccn2)cc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000513836943 922165126 /nfs/dbraw/zinc/16/51/26/922165126.db2.gz RDUOUTFGQVOIGF-UHFFFAOYSA-N 0 0 403.438 4.091 20 5 HIBDRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000513842662 922168409 /nfs/dbraw/zinc/16/84/09/922168409.db2.gz MKKAEKKECATCQG-UHFFFAOYSA-N 0 0 412.833 4.210 20 5 HIBDRN O=C(c1cnc(-c2ccc3c(c2)OCO3)s1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000513844579 922169649 /nfs/dbraw/zinc/16/96/49/922169649.db2.gz ZIUYTMAMMNDFSE-UHFFFAOYSA-N 0 0 409.423 4.040 20 5 HIBDRN Cc1c(CC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000513874170 922202727 /nfs/dbraw/zinc/20/27/27/922202727.db2.gz JBSYPSNREDQZIR-MRXNPFEDSA-N 0 0 402.878 4.417 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000513888040 922216060 /nfs/dbraw/zinc/21/60/60/922216060.db2.gz QMNSNAXIFGAVMI-QGZVFWFLSA-N 0 0 402.878 4.498 20 5 HIBDRN CCCOc1cc(NC(=O)N[C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OCCC ZINC000513897877 922222157 /nfs/dbraw/zinc/22/21/57/922222157.db2.gz ZTGKWNHUTXGTLG-CQSZACIVSA-N 0 0 409.483 4.252 20 5 HIBDRN CCOC(=O)CN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000513904597 922226434 /nfs/dbraw/zinc/22/64/34/922226434.db2.gz YUKZLILSWYIMTQ-AWEZNQCLSA-N 0 0 402.472 4.083 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000513914364 922237584 /nfs/dbraw/zinc/23/75/84/922237584.db2.gz DGAAXMYWJYVSKO-JOCHJYFZSA-N 0 0 414.527 4.263 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000513978640 922301209 /nfs/dbraw/zinc/30/12/09/922301209.db2.gz PXXVUGRCSOMUTF-UHFFFAOYSA-N 0 0 400.218 4.241 20 5 HIBDRN CN(Cc1ccc(F)cc1F)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000514070134 922393631 /nfs/dbraw/zinc/39/36/31/922393631.db2.gz PHSTWMAQLJYLOB-UHFFFAOYSA-N 0 0 404.291 4.086 20 5 HIBDRN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514231013 922568552 /nfs/dbraw/zinc/56/85/52/922568552.db2.gz QKDWSVBVROITNE-SNVBAGLBSA-N 0 0 407.398 4.167 20 5 HIBDRN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514246265 922588424 /nfs/dbraw/zinc/58/84/24/922588424.db2.gz JCYHONDXRKDMCR-UHFFFAOYSA-N 0 0 415.356 4.111 20 5 HIBDRN O=C(NC[C@@H]1CCCO1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000514301572 922593415 /nfs/dbraw/zinc/59/34/15/922593415.db2.gz OAJFXTJPKRHYMZ-ZDUSSCGKSA-N 0 0 415.496 4.265 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1[N+](=O)[O-] ZINC000514543671 922690962 /nfs/dbraw/zinc/69/09/62/922690962.db2.gz MVOONIAAPLTIED-UHFFFAOYSA-N 0 0 406.845 4.045 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000514574543 922710754 /nfs/dbraw/zinc/71/07/54/922710754.db2.gz KPXLXQBTMDFNHX-RTBURBONSA-N 0 0 419.403 4.066 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(C[C@H](C)c2ccccc2)o1 ZINC000514590648 922717885 /nfs/dbraw/zinc/71/78/85/922717885.db2.gz LGUSCYJJRCBEKA-AWEZNQCLSA-N 0 0 412.471 4.363 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CSc1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000514591453 922719031 /nfs/dbraw/zinc/71/90/31/922719031.db2.gz UWIWYBIQJQWGMT-UHFFFAOYSA-N 0 0 406.851 4.246 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000514693304 922760104 /nfs/dbraw/zinc/76/01/04/922760104.db2.gz CVSYKBYPEGCMPY-UHFFFAOYSA-N 0 0 424.379 4.321 20 5 HIBDRN CC(C)CCn1nccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514710533 922770962 /nfs/dbraw/zinc/77/09/62/922770962.db2.gz KWBZXXKXGDFQJB-UHFFFAOYSA-N 0 0 413.400 4.297 20 5 HIBDRN COc1cc(C)ccc1Oc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000514807915 922807578 /nfs/dbraw/zinc/80/75/78/922807578.db2.gz OLVNFZUAKVEFIL-UHFFFAOYSA-N 0 0 409.398 4.117 20 5 HIBDRN COC(=O)c1cc2cc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc2o1 ZINC000514830150 922818392 /nfs/dbraw/zinc/81/83/92/922818392.db2.gz SEFZTZNGBLYFOD-NSHDSACASA-N 0 0 400.412 4.247 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000515015216 922877670 /nfs/dbraw/zinc/87/76/70/922877670.db2.gz UNBWWPFMEKXUQW-JOCHJYFZSA-N 0 0 422.481 4.205 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3cc(Cl)ccc3OCCOC)no2)c1 ZINC000515016880 922878901 /nfs/dbraw/zinc/87/89/01/922878901.db2.gz ZONPOKKCEDBJCN-UHFFFAOYSA-N 0 0 419.821 4.389 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cc([N+](=O)[O-])c1 ZINC000515076700 922895333 /nfs/dbraw/zinc/89/53/33/922895333.db2.gz ZQIJABWYLCZRON-BFUOFWGJSA-N 0 0 412.442 4.293 20 5 HIBDRN CC[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1OC(F)F ZINC000515157582 922957542 /nfs/dbraw/zinc/95/75/42/922957542.db2.gz QGKVTONTMAMDHX-QGZVFWFLSA-N 0 0 416.384 4.263 20 5 HIBDRN C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000515157529 922957613 /nfs/dbraw/zinc/95/76/13/922957613.db2.gz ZBIZKGRCXKRCIF-SECBINFHSA-N 0 0 404.291 4.305 20 5 HIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000515403759 923083630 /nfs/dbraw/zinc/08/36/30/923083630.db2.gz WLQDORSPNNSAHF-LBPRGKRZSA-N 0 0 418.759 4.103 20 5 HIBDRN COc1ccc(COCCCc2noc(-c3cc(OC)c(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000515492670 923133178 /nfs/dbraw/zinc/13/31/78/923133178.db2.gz UFZGGMZIYMEZLB-UHFFFAOYSA-N 0 0 413.430 4.120 20 5 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OPVISORLPXNOOE-NTEUORMPSA-N 0 0 405.439 4.497 20 5 HIBDRN COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1[N+](=O)[O-] ZINC000515897873 923419545 /nfs/dbraw/zinc/41/95/45/923419545.db2.gz CCZGULOUETVFQG-IBGZPJMESA-N 0 0 420.469 4.290 20 5 HIBDRN C[C@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000515904456 923422739 /nfs/dbraw/zinc/42/27/39/923422739.db2.gz GLTYDKGNFPRGRA-KBPBESRZSA-N 0 0 411.462 4.000 20 5 HIBDRN CC(=O)[C@@H]1C[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1(C)C ZINC000515914992 923432354 /nfs/dbraw/zinc/43/23/54/923432354.db2.gz LHHADPBMQPOEIO-QWHCGFSZSA-N 0 0 408.252 4.050 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000515926875 923441340 /nfs/dbraw/zinc/44/13/40/923441340.db2.gz BTCLRVRKHZGUOI-LLVKDONJSA-N 0 0 424.284 4.150 20 5 HIBDRN COc1ccc(CNC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000515993619 923487948 /nfs/dbraw/zinc/48/79/48/923487948.db2.gz TZXFSUFHHDPZEN-HNNXBMFYSA-N 0 0 407.426 4.068 20 5 HIBDRN Cn1ccnc1[C@H](NC[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000516120920 923556459 /nfs/dbraw/zinc/55/64/59/923556459.db2.gz VYQFUEIJXDDLQU-IEBWSBKVSA-N 0 0 418.419 4.429 20 5 HIBDRN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000516129338 923563181 /nfs/dbraw/zinc/56/31/81/923563181.db2.gz WAYNXUYZGVZCIG-MRXNPFEDSA-N 0 0 404.850 4.078 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3cccc(-c4nccn4C)c3)cc2[N+](=O)[O-])CC1 ZINC000516135166 923566428 /nfs/dbraw/zinc/56/64/28/923566428.db2.gz ISTRAPJVMLOSDJ-UHFFFAOYSA-N 0 0 419.485 4.484 20 5 HIBDRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(NC)c([N+](=O)[O-])c3)cc2s1 ZINC000516138045 923567642 /nfs/dbraw/zinc/56/76/42/923567642.db2.gz GFVBNSWJTQPIQA-UHFFFAOYSA-N 0 0 413.459 4.237 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc(F)cc1[N+](=O)[O-] ZINC000516144731 923572879 /nfs/dbraw/zinc/57/28/79/923572879.db2.gz ZLFJZVCNJTXNCZ-UHFFFAOYSA-N 0 0 418.768 4.067 20 5 HIBDRN O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(Oc2ccc(Cl)cc2)CC1 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939072924 /nfs/dbraw/zinc/07/29/24/939072924.db2.gz ONSBCKNELLZXKX-UHFFFAOYSA-N 0 0 420.421 4.466 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000540104618 939073486 /nfs/dbraw/zinc/07/34/86/939073486.db2.gz YPFOYXOWJHAGQH-DFBJGRDBSA-N 0 0 412.489 4.049 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1OCC(F)F ZINC000540195817 939121385 /nfs/dbraw/zinc/12/13/85/939121385.db2.gz HSTRSCRZGYFOCO-UHFFFAOYSA-N 0 0 418.755 4.439 20 5 HIBDRN O=C(Nc1ccc(F)cc1OCC(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000540199280 939123365 /nfs/dbraw/zinc/12/33/65/939123365.db2.gz OHROYEAKLYUBDN-UHFFFAOYSA-N 0 0 409.364 4.230 20 5 HIBDRN O=C(Nc1ccc(Br)c2ccccc12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000540199507 939123859 /nfs/dbraw/zinc/12/38/59/939123859.db2.gz WGPZMCUXMOWICF-UHFFFAOYSA-N 0 0 415.199 4.492 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000540254169 939172376 /nfs/dbraw/zinc/17/23/76/939172376.db2.gz WBJDBVSTRJVDEM-APWZRJJASA-N 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COc1cccc(O[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000540454344 939256477 /nfs/dbraw/zinc/25/64/77/939256477.db2.gz OWULUSZFMCGYRW-AWEZNQCLSA-N 0 0 404.488 4.301 20 5 HIBDRN Cc1onc(-c2ccccn2)c1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540454144 939256528 /nfs/dbraw/zinc/25/65/28/939256528.db2.gz CKFGTYUQYRZINA-UHFFFAOYSA-N 0 0 421.438 4.353 20 5 HIBDRN COc1cc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc(OC)c1C ZINC000540453585 939256757 /nfs/dbraw/zinc/25/67/57/939256757.db2.gz WNIOXEKRPPPEEV-UHFFFAOYSA-N 0 0 413.455 4.321 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)CCc1ccc2[nH]ccc2c1)c1ccccc1[N+](=O)[O-] ZINC000540463915 939262644 /nfs/dbraw/zinc/26/26/44/939262644.db2.gz ZHKWWRMYLULNCR-HXUWFJFHSA-N 0 0 423.469 4.208 20 5 HIBDRN COc1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1Br ZINC000540526604 939289493 /nfs/dbraw/zinc/28/94/93/939289493.db2.gz PMRBMUWOAUCMSB-JTQLQIEISA-N 0 0 424.251 4.257 20 5 HIBDRN O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000540532007 939293350 /nfs/dbraw/zinc/29/33/50/939293350.db2.gz XDSHOEYKBSZMKP-MRXNPFEDSA-N 0 0 413.817 4.146 20 5 HIBDRN CC(C)[C@H]1CCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000540548732 939301655 /nfs/dbraw/zinc/30/16/55/939301655.db2.gz HBPVFBKGLFMATA-OAQYLSRUSA-N 0 0 404.470 4.247 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)c1 ZINC000540611272 939319782 /nfs/dbraw/zinc/31/97/82/939319782.db2.gz HIAFGXJUNPVGLG-MRXNPFEDSA-N 0 0 418.421 4.008 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000540613290 939320339 /nfs/dbraw/zinc/32/03/39/939320339.db2.gz KCPSWJSIZGYYPM-UHFFFAOYSA-N 0 0 411.483 4.420 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 ZINC000540622569 939322890 /nfs/dbraw/zinc/32/28/90/939322890.db2.gz YYKITOLGAROFAU-LJQANCHMSA-N 0 0 422.840 4.065 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540636470 939325665 /nfs/dbraw/zinc/32/56/65/939325665.db2.gz RAAKDIKQBWPLGW-SJORKVTESA-N 0 0 424.423 4.303 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCOCc1ccc(Cl)cc1Cl ZINC000540642316 939328434 /nfs/dbraw/zinc/32/84/34/939328434.db2.gz BBXKBXZAIPUWTC-UHFFFAOYSA-N 0 0 422.268 4.258 20 5 HIBDRN O=C(Nc1ccnc(OCC(F)(F)F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000540682489 939338107 /nfs/dbraw/zinc/33/81/07/939338107.db2.gz CNJJARKQKSCOMJ-UHFFFAOYSA-N 0 0 410.352 4.127 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cnnn2)c1C ZINC000540692831 939340817 /nfs/dbraw/zinc/34/08/17/939340817.db2.gz VBPKPGBZQJLWGK-UHFFFAOYSA-N 0 0 412.475 4.023 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000540713077 939346042 /nfs/dbraw/zinc/34/60/42/939346042.db2.gz KWHBILHJZBZNAJ-UHFFFAOYSA-N 0 0 406.410 4.029 20 5 HIBDRN Cc1cc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)ccc1[N+](=O)[O-] ZINC000540747425 939357330 /nfs/dbraw/zinc/35/73/30/939357330.db2.gz JKCLLKDVOITCGW-UHFFFAOYSA-N 0 0 423.400 4.312 20 5 HIBDRN COc1ccc(-c2nc(CC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)cs2)cc1OC ZINC000540749666 939358431 /nfs/dbraw/zinc/35/84/31/939358431.db2.gz MGLVMKRVTOKPCV-UHFFFAOYSA-N 0 0 413.455 4.225 20 5 HIBDRN Cc1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)nn1-c1cc(C)cc(C)c1 ZINC000540752568 939359656 /nfs/dbraw/zinc/35/96/56/939359656.db2.gz ZAASTCNLQKUEMA-UHFFFAOYSA-N 0 0 416.441 4.144 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540780211 939369934 /nfs/dbraw/zinc/36/99/34/939369934.db2.gz TXEZEJYIFRBYFY-HOTGVXAUSA-N 0 0 408.376 4.445 20 5 HIBDRN COc1cc(CNc2nnc(C(C)(C)C)s2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000540807257 939378535 /nfs/dbraw/zinc/37/85/35/939378535.db2.gz DTKHSFCZJDHKIX-UHFFFAOYSA-N 0 0 420.413 4.306 20 5 HIBDRN CCC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000540827900 939386490 /nfs/dbraw/zinc/38/64/90/939386490.db2.gz VZIJVWDFYVBDQF-HOTGVXAUSA-N 0 0 405.520 4.376 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000540861553 939399332 /nfs/dbraw/zinc/39/93/32/939399332.db2.gz HLQRNAKVTKRAJI-MRXNPFEDSA-N 0 0 412.494 4.481 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OCc2cscn2)c1 ZINC000540894748 939413098 /nfs/dbraw/zinc/41/30/98/939413098.db2.gz AVDJPPOEDLTSRG-UHFFFAOYSA-N 0 0 417.874 4.256 20 5 HIBDRN COc1ccc(Br)c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000540979118 939423667 /nfs/dbraw/zinc/42/36/67/939423667.db2.gz YIENFQQPZOASLR-UHFFFAOYSA-N 0 0 417.162 4.220 20 5 HIBDRN O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccco1 ZINC000540997610 939427876 /nfs/dbraw/zinc/42/78/76/939427876.db2.gz DAJVEIWRBCCWSK-AWEZNQCLSA-N 0 0 422.384 4.447 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000541022731 939432783 /nfs/dbraw/zinc/43/27/83/939432783.db2.gz DMINUMWKYSTNLN-SNVBAGLBSA-N 0 0 420.397 4.206 20 5 HIBDRN Cc1sc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000541049597 939441716 /nfs/dbraw/zinc/44/17/16/939441716.db2.gz SMADPRBGMDEDOH-CQSZACIVSA-N 0 0 400.378 4.197 20 5 HIBDRN COc1c(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cccc1C(N)=O ZINC000541085102 939454405 /nfs/dbraw/zinc/45/44/05/939454405.db2.gz WRQKXNSMKBGDDH-UHFFFAOYSA-N 0 0 423.450 4.106 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)N([C@H](C)c2ccccc2Cl)C2CC2)ccc1[N+](=O)[O-] ZINC000541095143 939458444 /nfs/dbraw/zinc/45/84/44/939458444.db2.gz WCSLKBZBDLYJKG-CQSZACIVSA-N 0 0 415.877 4.039 20 5 HIBDRN COc1ccc(NC(=O)NCc2csc(CCc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000541101704 939460346 /nfs/dbraw/zinc/46/03/46/939460346.db2.gz PCGHIMZFRMSLIP-UHFFFAOYSA-N 0 0 412.471 4.167 20 5 HIBDRN COc1ccc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000541102027 939460629 /nfs/dbraw/zinc/46/06/29/939460629.db2.gz VBVMWKXTXXSWIZ-UHFFFAOYSA-N 0 0 406.442 4.275 20 5 HIBDRN COc1ccc(NC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)cc1[N+](=O)[O-] ZINC000541140734 939474740 /nfs/dbraw/zinc/47/47/40/939474740.db2.gz KJJPVQLWFDYRIW-UHFFFAOYSA-N 0 0 407.426 4.447 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1OCCO ZINC000541165814 939483852 /nfs/dbraw/zinc/48/38/52/939483852.db2.gz AWLAFFVCRCMJMU-UHFFFAOYSA-N 0 0 408.410 4.319 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000541250453 939487636 /nfs/dbraw/zinc/48/76/36/939487636.db2.gz DDKVYBLGTKCYBM-JJEJIETFSA-N 0 0 423.498 4.335 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc(-c2cccnc2)cs1 ZINC000541267887 939488575 /nfs/dbraw/zinc/48/85/75/939488575.db2.gz PIWPHUXDONOHCA-UHFFFAOYSA-N 0 0 406.876 4.498 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000541270842 939488646 /nfs/dbraw/zinc/48/86/46/939488646.db2.gz SVDYBZNYTNJMPR-IFXJQAMLSA-N 0 0 406.891 4.234 20 5 HIBDRN Cc1c(Br)c(=O)n(CCOc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000541290029 939489512 /nfs/dbraw/zinc/48/95/12/939489512.db2.gz DWFQRGJKBLEBIT-UHFFFAOYSA-N 0 0 403.232 4.060 20 5 HIBDRN CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000541323900 939490859 /nfs/dbraw/zinc/49/08/59/939490859.db2.gz DIYBDSBRADZFPN-LJQANCHMSA-N 0 0 422.525 4.029 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](c3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC000541391112 939503354 /nfs/dbraw/zinc/50/33/54/939503354.db2.gz TXSSBDJMWIHZAD-GOSISDBHSA-N 0 0 400.500 4.161 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC=C(c2ccc(O)cc2)CC1 ZINC000541408450 939508020 /nfs/dbraw/zinc/50/80/20/939508020.db2.gz SOVDENRQHJHXBB-UHFFFAOYSA-N 0 0 404.875 4.362 20 5 HIBDRN CC(C)(CO)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000541465235 939526256 /nfs/dbraw/zinc/52/62/56/939526256.db2.gz BXWFXHKEDBSGGB-MRXNPFEDSA-N 0 0 422.934 4.259 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000563700407 945256108 /nfs/dbraw/zinc/25/61/08/945256108.db2.gz AIECQHYTPRSRGK-INIZCTEOSA-N 0 0 419.441 4.229 20 5 HIBDRN COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000541509386 939539924 /nfs/dbraw/zinc/53/99/24/939539924.db2.gz CIGAZXAZOHKEJA-HRAATJIYSA-N 0 0 409.486 4.427 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ncn(C3CCCCC3)n2)cc1[N+](=O)[O-] ZINC000541529961 939544975 /nfs/dbraw/zinc/54/49/75/939544975.db2.gz PYQGIZJWRRJENU-UHFFFAOYSA-N 0 0 408.256 4.015 20 5 HIBDRN Cc1sc(NC(=O)c2ccncc2N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000541568882 939557508 /nfs/dbraw/zinc/55/75/08/939557508.db2.gz KMHVNHHWJGMGGE-UHFFFAOYSA-N 0 0 409.471 4.274 20 5 HIBDRN Cc1ccc(NC(=O)CNc2ncc([N+](=O)[O-])c(C)c2Br)c(Cl)c1 ZINC000541576910 939559101 /nfs/dbraw/zinc/55/91/01/939559101.db2.gz VUJWNWZYBJYGDN-UHFFFAOYSA-N 0 0 413.659 4.073 20 5 HIBDRN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541605859 939567380 /nfs/dbraw/zinc/56/73/80/939567380.db2.gz XOYCVZCBUKROPL-GFCCVEGCSA-N 0 0 418.375 4.308 20 5 HIBDRN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)CC(F)(F)F ZINC000541621603 939572955 /nfs/dbraw/zinc/57/29/55/939572955.db2.gz 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ZINC000543171229 939984835 /nfs/dbraw/zinc/98/48/35/939984835.db2.gz VWNAWDYEDZSVGW-LRDDRELGSA-N 0 0 410.879 4.029 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000543175524 939985536 /nfs/dbraw/zinc/98/55/36/939985536.db2.gz BXYHVXXZEVSRDO-CYBMUJFWSA-N 0 0 406.508 4.394 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCC[C@H]3CCO[C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000543203050 939994450 /nfs/dbraw/zinc/99/44/50/939994450.db2.gz MGJGHNDHIFJCLM-KBPBESRZSA-N 0 0 421.544 4.446 20 5 HIBDRN O=C(Nc1nc(Cc2ccccc2)cs1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000543207253 939995859 /nfs/dbraw/zinc/99/58/59/939995859.db2.gz MXRFROXXBAELPG-UHFFFAOYSA-N 0 0 405.439 4.080 20 5 HIBDRN Cc1cccc2c(CCNC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])c[nH]c21 ZINC000543290759 940019516 /nfs/dbraw/zinc/01/95/16/940019516.db2.gz GJFHMPRFMCJWQO-UHFFFAOYSA-N 0 0 403.891 4.489 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543295475 940020727 /nfs/dbraw/zinc/02/07/27/940020727.db2.gz GPQVPOOWKMKTRD-VOJFVSQTSA-N 0 0 412.870 4.372 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543295476 940020943 /nfs/dbraw/zinc/02/09/43/940020943.db2.gz GPQVPOOWKMKTRD-ZMZPIMSZSA-N 0 0 412.870 4.372 20 5 HIBDRN Cc1cc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000543323119 940030308 /nfs/dbraw/zinc/03/03/08/940030308.db2.gz HQXYWQOEQRXZTA-OAHLLOKOSA-N 0 0 400.483 4.003 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CCc3ccccc3O)cc2[N+](=O)[O-])C1 ZINC000543361981 940042211 /nfs/dbraw/zinc/04/22/11/940042211.db2.gz PITJVUWFASZXEV-CALCHBBNSA-N 0 0 411.502 4.097 20 5 HIBDRN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000543371407 940045201 /nfs/dbraw/zinc/04/52/01/940045201.db2.gz BJWPQFOFJBZHQL-XCLFUZPHSA-N 0 0 407.426 4.081 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1ncon1 ZINC000543421196 940059607 /nfs/dbraw/zinc/05/96/07/940059607.db2.gz ROZLEMIQNGYNJY-GOSISDBHSA-N 0 0 407.430 4.479 20 5 HIBDRN CCc1ccc([C@@H](Nc2ccc(N3CCOCC3)cn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543423379 940060379 /nfs/dbraw/zinc/06/03/79/940060379.db2.gz SYDGRXGIIZORCP-QFIPXVFZSA-N 0 0 408.458 4.183 20 5 HIBDRN C[C@@H](C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543459736 940069313 /nfs/dbraw/zinc/06/93/13/940069313.db2.gz GRWKHQKFOCLWQG-NEPJUHHUSA-N 0 0 409.820 4.025 20 5 HIBDRN COCCCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n1 ZINC000543479519 940078166 /nfs/dbraw/zinc/07/81/66/940078166.db2.gz DXPISOBKSMJOJL-UHFFFAOYSA-N 0 0 418.519 4.362 20 5 HIBDRN C[C@@H](C(=O)Nc1nnc(Cc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000543482447 940078630 /nfs/dbraw/zinc/07/86/30/940078630.db2.gz CPGJMMRZQWEJPZ-SNVBAGLBSA-N 0 0 404.398 4.058 20 5 HIBDRN CC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000543493820 940083339 /nfs/dbraw/zinc/08/33/39/940083339.db2.gz ZOWUDNNBMGNYMX-SKDRFNHKSA-N 0 0 402.398 4.138 20 5 HIBDRN 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ZINC000543888276 940227541 /nfs/dbraw/zinc/22/75/41/940227541.db2.gz HFUWZIUXBAQCNJ-UHFFFAOYSA-N 0 0 409.446 4.234 20 5 HIBDRN COc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000543928759 940250051 /nfs/dbraw/zinc/25/00/51/940250051.db2.gz YCKGREIGXSCHIS-SFHVURJKSA-N 0 0 411.458 4.029 20 5 HIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000544033667 940305835 /nfs/dbraw/zinc/30/58/35/940305835.db2.gz IWAZITVCOKAASP-CYBMUJFWSA-N 0 0 420.338 4.249 20 5 HIBDRN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544057339 940312923 /nfs/dbraw/zinc/31/29/23/940312923.db2.gz IHCKIGOKPLKEGU-ZDUSSCGKSA-N 0 0 416.421 4.080 20 5 HIBDRN Cc1cc(Br)cc2c1CN(C(=O)CSc1ccccc1[N+](=O)[O-])CC2 ZINC000544059470 940313680 /nfs/dbraw/zinc/31/36/80/940313680.db2.gz CMDZKTAJRDBXHA-UHFFFAOYSA-N 0 0 421.316 4.343 20 5 HIBDRN CCc1nc2ccccc2n1C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000544060114 940313792 /nfs/dbraw/zinc/31/37/92/940313792.db2.gz 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COc1ccccc1C1(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000546135669 940709515 /nfs/dbraw/zinc/70/95/15/940709515.db2.gz FOQROPZFDSOESD-OAHLLOKOSA-N 0 0 400.500 4.322 20 5 HIBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000546148799 940713329 /nfs/dbraw/zinc/71/33/29/940713329.db2.gz YNVLXZDEUUTTCX-LJQANCHMSA-N 0 0 408.845 4.165 20 5 HIBDRN CCCc1c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cnn1-c1cc(C)ccn1 ZINC000546197390 940727351 /nfs/dbraw/zinc/72/73/51/940727351.db2.gz MPIJVRPGWYDSER-UHFFFAOYSA-N 0 0 420.473 4.263 20 5 HIBDRN CCCc1c(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1cc(C)ccn1 ZINC000546221087 940733777 /nfs/dbraw/zinc/73/37/77/940733777.db2.gz LJQCGANILLMUEE-OAHLLOKOSA-N 0 0 408.462 4.319 20 5 HIBDRN CCc1ccccc1-n1cnnc1SCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000546235492 940739103 /nfs/dbraw/zinc/73/91/03/940739103.db2.gz AXSAHEVKBLTTDX-UHFFFAOYSA-N 0 0 422.470 4.004 20 5 HIBDRN CCOc1cc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cc(OCC)c1OCC ZINC000546235561 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CC(C)(C)CNC(=O)c1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1 ZINC000546377054 940805355 /nfs/dbraw/zinc/80/53/55/940805355.db2.gz GXMJJKGTBUKPBD-UHFFFAOYSA-N 0 0 423.473 4.075 20 5 HIBDRN Cc1cccn2cc(Cc3noc(-c4cc([N+](=O)[O-])cc(C(F)(F)F)c4)n3)nc12 ZINC000546386955 940807709 /nfs/dbraw/zinc/80/77/09/940807709.db2.gz LELXWAYBRWAWPB-UHFFFAOYSA-N 0 0 403.320 4.211 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(CSc2nnc(-c3cccs3)n2C)n1 ZINC000546402135 940811510 /nfs/dbraw/zinc/81/15/10/940811510.db2.gz NJIKZVPKMRZPEA-UHFFFAOYSA-N 0 0 414.472 4.103 20 5 HIBDRN CC(=O)N1CCC[C@H](c2noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)C1 ZINC000546442446 940820690 /nfs/dbraw/zinc/82/06/90/940820690.db2.gz ICLDEIQBMGHFAX-INIZCTEOSA-N 0 0 407.430 4.114 20 5 HIBDRN CC(C)c1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc(=O)[nH]1 ZINC000546449489 940822868 /nfs/dbraw/zinc/82/28/68/940822868.db2.gz SMPDVXOTAKOGKW-UHFFFAOYSA-N 0 0 419.235 4.222 20 5 HIBDRN COC(=O)c1cc(-c2nc(Cc3cccc4ccc(OC)cc43)no2)cc([N+](=O)[O-])c1 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ZINC000546795525 940884613 /nfs/dbraw/zinc/88/46/13/940884613.db2.gz WXYXJLGFORJUON-UHFFFAOYSA-N 0 0 415.496 4.224 20 5 HIBDRN CCc1ccc([C@H](N[C@@H]2CCCc3cn(CCOC)nc32)c2ccc([N+](=O)[O-])cc2)o1 ZINC000546930212 940917012 /nfs/dbraw/zinc/91/70/12/940917012.db2.gz CCOPRFCAYMRGDM-NFBKMPQASA-N 0 0 424.501 4.350 20 5 HIBDRN O=c1cc(-c2nc(-c3ccc(Br)cc3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000546937293 940919093 /nfs/dbraw/zinc/91/90/93/940919093.db2.gz DREQQYKIQXXAMG-UHFFFAOYSA-N 0 0 413.187 4.328 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(CSc3ccc(Cl)cc3)no2)ccc1-n1cncn1 ZINC000546940802 940919988 /nfs/dbraw/zinc/91/99/88/940919988.db2.gz FRUZRHGCIFEXIX-UHFFFAOYSA-N 0 0 414.834 4.171 20 5 HIBDRN COc1cc(-c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)ccc1OC(C)C ZINC000546941324 940920612 /nfs/dbraw/zinc/92/06/12/940920612.db2.gz HEMXBEIBVONQIF-UHFFFAOYSA-N 0 0 421.413 4.293 20 5 HIBDRN CCOc1c(Cl)cc(-c2noc(CCNc3ccccc3[N+](=O)[O-])n2)cc1OC ZINC000546944142 940921907 /nfs/dbraw/zinc/92/19/07/940921907.db2.gz MBZHYJAVWTWXPP-UHFFFAOYSA-N 0 0 418.837 4.360 20 5 HIBDRN CCn1c(C)nc([N+](=O)[O-])c1Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000564040071 945360497 /nfs/dbraw/zinc/36/04/97/945360497.db2.gz WCEPELSCAYHIBM-MRXNPFEDSA-N 0 0 413.503 4.313 20 5 HIBDRN Cc1nn(-c2ccccc2)c2nc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)ccc12 ZINC000546948375 940923183 /nfs/dbraw/zinc/92/31/83/940923183.db2.gz QTAMQYOBENVGNZ-UHFFFAOYSA-N 0 0 412.409 4.278 20 5 HIBDRN O=[N+]([O-])c1ccccc1Cc1noc(-c2cc(OC(F)F)cc(OC(F)F)c2)n1 ZINC000546947419 940923286 /nfs/dbraw/zinc/92/32/86/940923286.db2.gz GBICXLJBJGWBKS-UHFFFAOYSA-N 0 0 413.283 4.438 20 5 HIBDRN CCc1nc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)nn1-c1ccccc1Cl ZINC000546948698 940923823 /nfs/dbraw/zinc/92/38/23/940923823.db2.gz VTJZCQWCVVWCOV-UHFFFAOYSA-N 0 0 410.821 4.032 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000546949860 940923860 /nfs/dbraw/zinc/92/38/60/940923860.db2.gz INWSYYIZICZTJT-JTQLQIEISA-N 0 0 409.368 4.096 20 5 HIBDRN COc1ccc(C)cc1Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000546954054 940925675 /nfs/dbraw/zinc/92/56/75/940925675.db2.gz PRLKYUJJSXHAEW-UHFFFAOYSA-N 0 0 404.220 4.315 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000564042478 945361573 /nfs/dbraw/zinc/36/15/73/945361573.db2.gz WLVDHUQKPDOUBA-LJAQVGFWSA-N 0 0 409.467 4.224 20 5 HIBDRN O=c1cc(-c2nc(-c3cccc(Br)c3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000546988087 940941657 /nfs/dbraw/zinc/94/16/57/940941657.db2.gz XAIPPQHKMWZNRU-UHFFFAOYSA-N 0 0 413.187 4.328 20 5 HIBDRN COc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3C)n2)ccc1OC[C@@H]1CCCO1 ZINC000546988855 940942361 /nfs/dbraw/zinc/94/23/61/940942361.db2.gz KWJRJUMZAXIONT-HNNXBMFYSA-N 0 0 411.414 4.187 20 5 HIBDRN O=c1cc(-c2nc(-c3ccccc3OC(F)F)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000546995346 940947429 /nfs/dbraw/zinc/94/74/29/940947429.db2.gz VLLCSRYBKLGKKY-UHFFFAOYSA-N 0 0 400.297 4.167 20 5 HIBDRN CC(C)c1ccc([C@H](C)CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000564045933 945362640 /nfs/dbraw/zinc/36/26/40/945362640.db2.gz DVUBKDQQYAGCRS-GOSISDBHSA-N 0 0 423.513 4.196 20 5 HIBDRN O=c1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000547023793 940961712 /nfs/dbraw/zinc/96/17/12/940961712.db2.gz GNGKTIFSOBSHIH-UHFFFAOYSA-N 0 0 418.287 4.464 20 5 HIBDRN COc1ccc(OCc2noc(CSCc3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 ZINC000547027336 940964160 /nfs/dbraw/zinc/96/41/60/940964160.db2.gz AWBLMHNCGQLZDJ-UHFFFAOYSA-N 0 0 417.443 4.007 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1-c1nc(-c2ccnc(OCC(F)(F)F)c2)no1 ZINC000547056933 940977179 /nfs/dbraw/zinc/97/71/79/940977179.db2.gz PJAIWVBOBDRDQH-UHFFFAOYSA-N 0 0 400.700 4.301 20 5 HIBDRN C[C@H](c1nc(-c2cccc(CN3CCCC3=O)c2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000547149704 941011996 /nfs/dbraw/zinc/01/19/96/941011996.db2.gz WPPLCGAIZIOHKS-ZDUSSCGKSA-N 0 0 410.405 4.058 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(Cc3c[nH]c4ccccc34)n2)c(Br)c1 ZINC000547152296 941013421 /nfs/dbraw/zinc/01/34/21/941013421.db2.gz PAPPZEWODHPSNH-UHFFFAOYSA-N 0 0 413.231 4.403 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc([C@H]3Cc4ccccc4O3)n2)c(Br)c1 ZINC000547156620 941014535 /nfs/dbraw/zinc/01/45/35/941014535.db2.gz ZZFUCAUCKGAHSN-OAHLLOKOSA-N 0 0 402.204 4.007 20 5 HIBDRN COC(=O)c1cc(-c2nc(Cc3c[nH]c4ccc(Cl)cc34)no2)cc([N+](=O)[O-])c1 ZINC000547166524 941018366 /nfs/dbraw/zinc/01/83/66/941018366.db2.gz GGOBXURMWKUTDH-UHFFFAOYSA-N 0 0 412.789 4.157 20 5 HIBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(C)cc2N2CCOCC2)no1 ZINC000547170714 941019771 /nfs/dbraw/zinc/01/97/71/941019771.db2.gz WHLHEVOTUSODNB-PEZBUJJGSA-N 0 0 406.442 4.350 20 5 HIBDRN COc1cc(Cc2noc(-c3csc(-c4ccc(C)n4C)n3)n2)ccc1[N+](=O)[O-] ZINC000547172253 941020290 /nfs/dbraw/zinc/02/02/90/941020290.db2.gz LATWSTHYVLRDJH-UHFFFAOYSA-N 0 0 411.443 4.015 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc(Br)cc3F)n2)ccc1[N+](=O)[O-] ZINC000547176959 941022501 /nfs/dbraw/zinc/02/25/01/941022501.db2.gz DXMIRULNMHHGFX-UHFFFAOYSA-N 0 0 408.183 4.146 20 5 HIBDRN CO[C@@H](c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1)c1cccc(Cl)c1 ZINC000547186316 941024716 /nfs/dbraw/zinc/02/47/16/941024716.db2.gz PRWQUSUURMSEEP-QGZVFWFLSA-N 0 0 412.789 4.288 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4cnc(-c5cccnc5)s4)n3)c2c1 ZINC000547194882 941027912 /nfs/dbraw/zinc/02/79/12/941027912.db2.gz LUMAOIMNDBBIDB-UHFFFAOYSA-N 0 0 404.411 4.235 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(CCc3ncc(-c4ccccc4Cl)o3)n2)nc1 ZINC000547196280 941028086 /nfs/dbraw/zinc/02/80/86/941028086.db2.gz OBTZMXZRIJLLNA-UHFFFAOYSA-N 0 0 411.805 4.057 20 5 HIBDRN COc1cc(Cc2noc(-c3cnn(-c4cccc(Cl)c4)c3)n2)ccc1[N+](=O)[O-] ZINC000547196700 941028684 /nfs/dbraw/zinc/02/86/84/941028684.db2.gz ZZVQWPNPASXMQJ-UHFFFAOYSA-N 0 0 411.805 4.083 20 5 HIBDRN Cc1c(Cc2noc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cccc1[N+](=O)[O-] ZINC000547198403 941028997 /nfs/dbraw/zinc/02/89/97/941028997.db2.gz PDJYHKHSFVMDNI-CQSZACIVSA-N 0 0 412.833 4.051 20 5 HIBDRN Cc1nc(Cc2ccc(F)cc2)sc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000547198421 941029165 /nfs/dbraw/zinc/02/91/65/941029165.db2.gz QBVOVMWUVMWREL-UHFFFAOYSA-N 0 0 411.418 4.125 20 5 HIBDRN COc1ccc(C[C@H](C)CN(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000547233780 941039722 /nfs/dbraw/zinc/03/97/22/941039722.db2.gz SSNVOCYVLCSDOK-HNNXBMFYSA-N 0 0 402.466 4.357 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3cccnc3OCC(F)F)no2)cc(C(F)(F)F)c1 ZINC000547259177 941046126 /nfs/dbraw/zinc/04/61/26/941046126.db2.gz WWUOZFRLFNRXHK-UHFFFAOYSA-N 0 0 416.262 4.370 20 5 HIBDRN Cn1cc(CCc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c2ccccc21 ZINC000547266614 941048387 /nfs/dbraw/zinc/04/83/87/941048387.db2.gz XEGIQUOACSJBRP-UHFFFAOYSA-N 0 0 401.426 4.327 20 5 HIBDRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C ZINC000547342480 941057144 /nfs/dbraw/zinc/05/71/44/941057144.db2.gz NQGAWDXUYHHEOF-UHFFFAOYSA-N 0 0 417.849 4.196 20 5 HIBDRN CC(C)n1cc([C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cn1 ZINC000547710678 941072876 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ZINC000553244178 941856054 /nfs/dbraw/zinc/85/60/54/941856054.db2.gz PQQKVWWIKDKITK-ZDUSSCGKSA-N 0 0 409.364 4.179 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000553249805 941856437 /nfs/dbraw/zinc/85/64/37/941856437.db2.gz ZRJUNJWWKYDUSP-UHFFFAOYSA-N 0 0 409.398 4.147 20 5 HIBDRN C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccccc1OCc1ccccc1 ZINC000553304189 941863895 /nfs/dbraw/zinc/86/38/95/941863895.db2.gz IGRNPZALVVOJGR-OAHLLOKOSA-N 0 0 416.437 4.996 20 5 HIBDRN O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccccc1[N+](=O)[O-] ZINC000553308207 941864737 /nfs/dbraw/zinc/86/47/37/941864737.db2.gz KVDMCZOQGYILRI-UHFFFAOYSA-N 0 0 410.333 4.264 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000553343668 941870057 /nfs/dbraw/zinc/87/00/57/941870057.db2.gz UTIWUDCXKQRZBB-CYBMUJFWSA-N 0 0 405.380 4.279 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000553348566 941870908 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AUTRAZHLNRCEAI-SNVBAGLBSA-N 0 0 420.292 4.053 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2Nc2ccc(OCc3noc(C4CC4)n3)cc2)s1 ZINC000553415388 941881254 /nfs/dbraw/zinc/88/12/54/941881254.db2.gz GSNFXMOHXUHYEM-UHFFFAOYSA-N 0 0 410.415 4.183 20 5 HIBDRN C[C@H](NC(=O)NCc1cc(F)c(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000553470797 941890741 /nfs/dbraw/zinc/89/07/41/941890741.db2.gz RQPGUOPPLKRCSB-VIFPVBQESA-N 0 0 414.206 4.196 20 5 HIBDRN COc1cccc(OC(F)(F)F)c1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000553474465 941891499 /nfs/dbraw/zinc/89/14/99/941891499.db2.gz RUYPYWBKIDAYLT-LLVKDONJSA-N 0 0 413.352 4.062 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](c1ccccn1)c1ccccc1OC ZINC000553481531 941892801 /nfs/dbraw/zinc/89/28/01/941892801.db2.gz QAGJRJMAZSPSJN-OAQYLSRUSA-N 0 0 407.426 4.295 20 5 HIBDRN CC(=O)c1cc(N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000553503833 941897789 /nfs/dbraw/zinc/89/77/89/941897789.db2.gz GPVSNNFNUNZHGI-OAHLLOKOSA-N 0 0 421.375 4.029 20 5 HIBDRN 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ZINC000553709789 941949154 /nfs/dbraw/zinc/94/91/54/941949154.db2.gz PNLVQZPDUVFACO-UHFFFAOYSA-N 0 0 401.422 4.255 20 5 HIBDRN COc1cccc(C(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000553721299 941952054 /nfs/dbraw/zinc/95/20/54/941952054.db2.gz BUZAJRZMOAIGJQ-PXAZEXFGSA-N 0 0 424.375 4.224 20 5 HIBDRN CC(C)(NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1ccccc1[N+](=O)[O-] ZINC000553725204 941953314 /nfs/dbraw/zinc/95/33/14/941953314.db2.gz NKPGHQZPXLIJKE-UHFFFAOYSA-N 0 0 413.474 4.375 20 5 HIBDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000553727015 941953835 /nfs/dbraw/zinc/95/38/35/941953835.db2.gz QHXGDVYOQRRCPD-UHFFFAOYSA-N 0 0 407.474 4.463 20 5 HIBDRN Cc1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])nn1-c1c(F)cccc1F ZINC000553727003 941953921 /nfs/dbraw/zinc/95/39/21/941953921.db2.gz PUHAYPIONNEJTR-UHFFFAOYSA-N 0 0 400.385 4.032 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000553758926 941961441 /nfs/dbraw/zinc/96/14/41/941961441.db2.gz QHYFTKMVNDAVMX-UHFFFAOYSA-N 0 0 423.441 4.074 20 5 HIBDRN COCCC[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000553778231 941966072 /nfs/dbraw/zinc/96/60/72/941966072.db2.gz HNEROJDUZTTXPU-QGZVFWFLSA-N 0 0 405.882 4.258 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000553806535 941973015 /nfs/dbraw/zinc/97/30/15/941973015.db2.gz INFJCPLXQXVQEN-AWEZNQCLSA-N 0 0 409.408 4.429 20 5 HIBDRN C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@H]1OCCc2sccc21 ZINC000553858932 941985268 /nfs/dbraw/zinc/98/52/68/941985268.db2.gz QRDPKGBTXGRGPT-WHEQGISXSA-N 0 0 404.491 4.175 20 5 HIBDRN O=C(NCc1cc(F)c(C(F)(F)F)cc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000554036424 942023445 /nfs/dbraw/zinc/02/34/45/942023445.db2.gz PEAHCPUEJBBBTR-UHFFFAOYSA-N 0 0 415.318 4.160 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3cnn(C)c3-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000554164697 942054220 /nfs/dbraw/zinc/05/42/20/942054220.db2.gz GBGXBBJWVDAMPA-INIZCTEOSA-N 0 0 419.485 4.484 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000554412351 942132151 /nfs/dbraw/zinc/13/21/51/942132151.db2.gz HUDIMMLARLEMTC-MRXNPFEDSA-N 0 0 412.490 4.138 20 5 HIBDRN CCCCOc1ccc([C@H](C)NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1OC ZINC000554699591 942204189 /nfs/dbraw/zinc/20/41/89/942204189.db2.gz XBPUJZVQDRHXCN-ZDUSSCGKSA-N 0 0 422.428 4.480 20 5 HIBDRN CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000554788379 942238582 /nfs/dbraw/zinc/23/85/82/942238582.db2.gz DAJAPRMZIJGXDZ-LJQANCHMSA-N 0 0 406.442 4.317 20 5 HIBDRN O=C(Nc1cccc(Cl)c1OCC(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000554792830 942240568 /nfs/dbraw/zinc/24/05/68/942240568.db2.gz MEEADLRDQSVRCU-UHFFFAOYSA-N 0 0 422.775 4.330 20 5 HIBDRN C[C@H](Oc1ccccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(F)(F)F ZINC000554792875 942240659 /nfs/dbraw/zinc/24/06/59/942240659.db2.gz CYYBCTDAABIGBB-LBPRGKRZSA-N 0 0 420.347 4.362 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cccnc3C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000554802855 942248048 /nfs/dbraw/zinc/24/80/48/942248048.db2.gz WXFFNOAVMNOFLY-UHFFFAOYSA-N 0 0 419.363 4.123 20 5 HIBDRN Cc1c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cnn1-c1ccc(Cl)cc1 ZINC000554804703 942248511 /nfs/dbraw/zinc/24/85/11/942248511.db2.gz APTWMYYRUGRLCI-UHFFFAOYSA-N 0 0 409.833 4.405 20 5 HIBDRN COc1c(-c2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)cccc1[N+](=O)[O-] ZINC000554833350 942271649 /nfs/dbraw/zinc/27/16/49/942271649.db2.gz SMDWJLNFAFKRCM-UHFFFAOYSA-N 0 0 415.768 4.299 20 5 HIBDRN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000554850793 942287845 /nfs/dbraw/zinc/28/78/45/942287845.db2.gz PMDXSHWJTZFIFI-FQEVSTJZSA-N 0 0 402.425 4.246 20 5 HIBDRN COc1cc(OC)cc(C2(F)CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000554918484 942319110 /nfs/dbraw/zinc/31/91/10/942319110.db2.gz DFWZHROVMXHSQE-UHFFFAOYSA-N 0 0 417.437 4.413 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)cc1[N+](=O)[O-] ZINC000554943829 942327176 /nfs/dbraw/zinc/32/71/76/942327176.db2.gz WXKGQNJSFSDYOF-UHFFFAOYSA-N 0 0 409.446 4.376 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000554975247 942339810 /nfs/dbraw/zinc/33/98/10/942339810.db2.gz IXYSKQNDGIDTOO-GOSISDBHSA-N 0 0 410.396 4.248 20 5 HIBDRN Cc1coc(-c2cc(NC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)ccc2C)n1 ZINC000554991080 942346096 /nfs/dbraw/zinc/34/60/96/942346096.db2.gz PBGMCCDMINZTEJ-UHFFFAOYSA-N 0 0 408.414 4.293 20 5 HIBDRN Cc1cc(Br)c(F)cc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000554991132 942346114 /nfs/dbraw/zinc/34/61/14/942346114.db2.gz QFASFDWSTQBVHV-UHFFFAOYSA-N 0 0 424.226 4.231 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000555010046 942354440 /nfs/dbraw/zinc/35/44/40/942354440.db2.gz HRUQLIWVEZDHEG-AWEZNQCLSA-N 0 0 420.416 4.159 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc(-c3cncc(F)c3)ccc2C)cc1[N+](=O)[O-] ZINC000555050202 942370682 /nfs/dbraw/zinc/37/06/82/942370682.db2.gz UHPZDIDYQYWZQN-UHFFFAOYSA-N 0 0 410.405 4.435 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2cc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000555141146 942401090 /nfs/dbraw/zinc/40/10/90/942401090.db2.gz CCJSUGJJNZAOQU-LJQANCHMSA-N 0 0 423.494 4.039 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2nnc(C(F)(F)F)o2)ccc1Oc1ccccc1Cl ZINC000555145573 942403469 /nfs/dbraw/zinc/40/34/69/942403469.db2.gz KNRLZZKIUGLJQF-UHFFFAOYSA-N 0 0 414.727 5.054 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000555154120 942407731 /nfs/dbraw/zinc/40/77/31/942407731.db2.gz VHWZLJTUBHZUIF-UHFFFAOYSA-N 0 0 421.501 4.288 20 5 HIBDRN C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)C[C@H](C)S1 ZINC000555179512 942419761 /nfs/dbraw/zinc/41/97/61/942419761.db2.gz RZVNFTJGMNOHSA-HOTGVXAUSA-N 0 0 409.515 4.232 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(N2CCC(c3noc(-c4ccccc4OC)n3)CC2)c1 ZINC000555193330 942425257 /nfs/dbraw/zinc/42/52/57/942425257.db2.gz BMYYIPJCBUIDGY-UHFFFAOYSA-N 0 0 410.430 4.046 20 5 HIBDRN O=C(c1cc(NCc2ccc(OC(F)F)c(F)c2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000555225237 942437035 /nfs/dbraw/zinc/43/70/35/942437035.db2.gz VVUMPNAQHFEEJP-UHFFFAOYSA-N 0 0 409.364 4.183 20 5 HIBDRN CCC(=O)c1ccc(N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000555240905 942442507 /nfs/dbraw/zinc/44/25/07/942442507.db2.gz FJLOWVUCTAYVHS-KUHUBIRLSA-N 0 0 413.449 4.491 20 5 HIBDRN COc1cc(OC)cc([C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c2nccn2C)c1 ZINC000555392371 942510980 /nfs/dbraw/zinc/51/09/80/942510980.db2.gz WBMQLEIQRMFFDT-BTYIYWSLSA-N 0 0 410.474 4.094 20 5 HIBDRN COc1cc(OC)cc([C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)c2nccn2C)c1 ZINC000555392373 942511367 /nfs/dbraw/zinc/51/13/67/942511367.db2.gz WBMQLEIQRMFFDT-QVKFZJNVSA-N 0 0 410.474 4.094 20 5 HIBDRN C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C[C@H](C)S1 ZINC000555436204 942534425 /nfs/dbraw/zinc/53/44/25/942534425.db2.gz OCQZYFACFWSUOZ-KBPBESRZSA-N 0 0 415.544 4.293 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555575894 942648182 /nfs/dbraw/zinc/64/81/82/942648182.db2.gz IFWPOQHNRBVOKZ-JTQLQIEISA-N 0 0 403.345 4.465 20 5 HIBDRN Cn1cc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555619584 942673140 /nfs/dbraw/zinc/67/31/40/942673140.db2.gz XYMFONZUFOVOCY-UHFFFAOYSA-N 0 0 406.364 4.026 20 5 HIBDRN COc1cc2c(cc1Cl)CN([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000555741569 942717735 /nfs/dbraw/zinc/71/77/35/942717735.db2.gz ALLMLNLVEZQPNO-NSHDSACASA-N 0 0 424.284 4.296 20 5 HIBDRN COc1cc2c(cc1Cl)CN([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000555741568 942718166 /nfs/dbraw/zinc/71/81/66/942718166.db2.gz ALLMLNLVEZQPNO-LLVKDONJSA-N 0 0 424.284 4.296 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)[C@H]2OCCc3sccc32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555773306 942726506 /nfs/dbraw/zinc/72/65/06/942726506.db2.gz QYMIJZINNLYNET-ORAYPTAESA-N 0 0 412.471 4.039 20 5 HIBDRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000556112982 942807041 /nfs/dbraw/zinc/80/70/41/942807041.db2.gz JJZQDDXMCDXPKQ-MSOLQXFVSA-N 0 0 407.499 4.272 20 5 HIBDRN Cc1cnn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2F)c1 ZINC000556256115 942827560 /nfs/dbraw/zinc/82/75/60/942827560.db2.gz WZLASAOIURZJPS-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(COc2ccccc2F)no1 ZINC000556309820 942838276 /nfs/dbraw/zinc/83/82/76/942838276.db2.gz LUGOMDOIVXDNHB-UHFFFAOYSA-N 0 0 408.183 4.434 20 5 HIBDRN CNC(=O)c1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl ZINC000556337761 942844857 /nfs/dbraw/zinc/84/48/57/942844857.db2.gz HHJUPSNRUXRHMA-UHFFFAOYSA-N 0 0 402.863 4.343 20 5 HIBDRN CN(CC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1)c1ccccc1[N+](=O)[O-] ZINC000556483226 942881514 /nfs/dbraw/zinc/88/15/14/942881514.db2.gz XKIUWDCUBLNINU-UHFFFAOYSA-N 0 0 416.890 4.124 20 5 HIBDRN CCS[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556527864 942892205 /nfs/dbraw/zinc/89/22/05/942892205.db2.gz YNELRZUAFVVQLJ-WBVHZDCISA-N 0 0 407.536 4.011 20 5 HIBDRN CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556527861 942892253 /nfs/dbraw/zinc/89/22/53/942892253.db2.gz YNELRZUAFVVQLJ-NVXWUHKLSA-N 0 0 407.536 4.011 20 5 HIBDRN CSCc1cccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000556563135 942899532 /nfs/dbraw/zinc/89/95/32/942899532.db2.gz BJZODOBZQIPXBA-UHFFFAOYSA-N 0 0 415.515 4.010 20 5 HIBDRN Cn1ccnc1[C@H](NCc1ccc(OC2CCCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000556869921 942944177 /nfs/dbraw/zinc/94/41/77/942944177.db2.gz APKOFHASGVWCNX-JOCHJYFZSA-N 0 0 421.501 4.314 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1ccc(OC2CCCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000556869922 942944432 /nfs/dbraw/zinc/94/44/32/942944432.db2.gz APKOFHASGVWCNX-QFIPXVFZSA-N 0 0 421.501 4.314 20 5 HIBDRN C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ncc(Br)cn1 ZINC000556907201 942960859 /nfs/dbraw/zinc/96/08/59/942960859.db2.gz LMYXROFEHXTWMM-NSHDSACASA-N 0 0 403.236 4.258 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])nc1 ZINC000556974594 942984832 /nfs/dbraw/zinc/98/48/32/942984832.db2.gz IATSRGSGAHWTRH-UHFFFAOYSA-N 0 0 409.423 4.180 20 5 HIBDRN O=C(NCCc1ccon1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000556984049 942987960 /nfs/dbraw/zinc/98/79/60/942987960.db2.gz FLJGPIFPNCGBDS-UHFFFAOYSA-N 0 0 403.847 4.360 20 5 HIBDRN CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000556995913 942990693 /nfs/dbraw/zinc/99/06/93/942990693.db2.gz YZLYROWNLVJBPD-UONOGXRCSA-N 0 0 401.429 4.130 20 5 HIBDRN CC(=O)c1cc(F)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(F)c1F ZINC000557066264 943010738 /nfs/dbraw/zinc/01/07/38/943010738.db2.gz QFUWJRDQQTTWGK-UHFFFAOYSA-N 0 0 407.348 4.067 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCn2ccc3cc(Cl)ccc32)cc1SC ZINC000557069068 943011069 /nfs/dbraw/zinc/01/10/69/943011069.db2.gz WFAWUEUEIJXEJC-UHFFFAOYSA-N 0 0 419.890 4.363 20 5 HIBDRN Cc1noc(C)c1COc1ccc(CC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000557072781 943012844 /nfs/dbraw/zinc/01/28/44/943012844.db2.gz IQFKACLPNAAJAL-UHFFFAOYSA-N 0 0 423.469 4.022 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000557081020 943016058 /nfs/dbraw/zinc/01/60/58/943016058.db2.gz USHKTBBVXZYPQK-UHFFFAOYSA-N 0 0 424.478 4.409 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(CC(F)(F)F)CC1 ZINC000557184996 943044184 /nfs/dbraw/zinc/04/41/84/943044184.db2.gz BGRMDTKCKBBSJO-UHFFFAOYSA-N 0 0 402.416 4.346 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000557194939 943046509 /nfs/dbraw/zinc/04/65/09/943046509.db2.gz LKCCZQPIPXMIEX-IRXDYDNUSA-N 0 0 411.527 4.304 20 5 HIBDRN COc1cc(CNC(=O)c2c(C)cccc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000557245605 943060317 /nfs/dbraw/zinc/06/03/17/943060317.db2.gz OTUWOCGSTMHWLF-UHFFFAOYSA-N 0 0 406.438 4.421 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ncc(-c2cccnc2)s1 ZINC000557395524 943100691 /nfs/dbraw/zinc/10/06/91/943100691.db2.gz QWSFIDVNWGKPKF-UHFFFAOYSA-N 0 0 412.474 4.312 20 5 HIBDRN COC(=O)c1cc(C)nc(N2CCC[C@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000557493388 943165786 /nfs/dbraw/zinc/16/57/86/943165786.db2.gz MGUKELXZYVSVRJ-HNNXBMFYSA-N 0 0 420.263 4.189 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CSCC2 ZINC000557516644 943182186 /nfs/dbraw/zinc/18/21/86/943182186.db2.gz VVJNNCSBRJOQID-UHFFFAOYSA-N 0 0 414.306 4.164 20 5 HIBDRN COC(=O)c1cc(C)nc(Oc2cccc(C(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] ZINC000557541879 943199730 /nfs/dbraw/zinc/19/97/30/943199730.db2.gz XDKGHGSKUVRXBZ-UHFFFAOYSA-N 0 0 407.382 4.129 20 5 HIBDRN CN(Cc1ccc(F)cc1Cl)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000557557369 943206853 /nfs/dbraw/zinc/20/68/53/943206853.db2.gz LVEJMZIYPLOICY-UHFFFAOYSA-N 0 0 404.829 4.253 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)[S@@]1=O ZINC000557579010 943217010 /nfs/dbraw/zinc/21/70/10/943217010.db2.gz SHGOHNCXUKFPSZ-ACIYMAINSA-N 0 0 418.540 4.118 20 5 HIBDRN COc1ccc(C2(CNc3cccc(C(N)=O)c3[N+](=O)[O-])CCCCC2)cc1OC ZINC000557598057 943225394 /nfs/dbraw/zinc/22/53/94/943225394.db2.gz CIIWMWVJIFXREP-UHFFFAOYSA-N 0 0 413.474 4.025 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@H](c2cccc(Cl)c2)c2ccccn2)c1[N+](=O)[O-] ZINC000557625911 943236411 /nfs/dbraw/zinc/23/64/11/943236411.db2.gz NTCAICWIGNVEBW-QGZVFWFLSA-N 0 0 412.833 4.335 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2N(CCCO)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000557627952 943237492 /nfs/dbraw/zinc/23/74/92/943237492.db2.gz SJUXQFWRTTZYTC-UHFFFAOYSA-N 0 0 413.286 4.295 20 5 HIBDRN C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1cccc(OCc2ccccc2)c1 ZINC000557681913 943257591 /nfs/dbraw/zinc/25/75/91/943257591.db2.gz NUGAOAWPPSRJQO-HNNXBMFYSA-N 0 0 416.437 4.996 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CC[C@H](COC(F)F)C3)c([N+](=O)[O-])c2)cc1 ZINC000557721334 943269146 /nfs/dbraw/zinc/26/91/46/943269146.db2.gz XGYAKAJCJYUHPP-AWEZNQCLSA-N 0 0 405.401 4.221 20 5 HIBDRN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000557725627 943271114 /nfs/dbraw/zinc/27/11/14/943271114.db2.gz OGFPKAOTXPZKQW-RNODOKPDSA-N 0 0 422.441 4.218 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000557747732 943277450 /nfs/dbraw/zinc/27/74/50/943277450.db2.gz DXKVNOWYGJPILL-GFCCVEGCSA-N 0 0 416.421 4.085 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000557759951 943282239 /nfs/dbraw/zinc/28/22/39/943282239.db2.gz YEOAXTZOOVYYHW-GTNSWQLSSA-N 0 0 412.339 4.355 20 5 HIBDRN Cc1noc(C)c1C(C)(C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000557777559 943288561 /nfs/dbraw/zinc/28/85/61/943288561.db2.gz KWLCJUUHWYLECB-UHFFFAOYSA-N 0 0 400.479 4.101 20 5 HIBDRN Cc1noc([C@@H]2CCCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000557779385 943289464 /nfs/dbraw/zinc/28/94/64/943289464.db2.gz JVPQCXBZPXSWGM-SFHVURJKSA-N 0 0 410.455 4.415 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC000557824574 943305249 /nfs/dbraw/zinc/30/52/49/943305249.db2.gz ZVMULLKJKBIYHI-UHFFFAOYSA-N 0 0 406.442 4.166 20 5 HIBDRN CCCc1csc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])n1 ZINC000557930124 943331873 /nfs/dbraw/zinc/33/18/73/943331873.db2.gz YGBYRIVAYWZXSM-HNNXBMFYSA-N 0 0 420.491 4.208 20 5 HIBDRN C/C=C/c1ccc(NC(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000557956957 943339853 /nfs/dbraw/zinc/33/98/53/943339853.db2.gz BPBSSTXGXMMXBN-JUGMSXHOSA-N 0 0 413.499 4.118 20 5 HIBDRN O=C(Cc1noc(CSc2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1Cl ZINC000557972429 943343655 /nfs/dbraw/zinc/34/36/55/943343655.db2.gz VXNAWLZXVUCGBR-UHFFFAOYSA-N 0 0 404.835 4.105 20 5 HIBDRN CC(C)(NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccccc1[N+](=O)[O-] ZINC000557977303 943345076 /nfs/dbraw/zinc/34/50/76/943345076.db2.gz PDIITJSYRWBDRV-UHFFFAOYSA-N 0 0 420.347 4.329 20 5 HIBDRN C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000557996218 943349664 /nfs/dbraw/zinc/34/96/64/943349664.db2.gz WDVQWYYSVWXDHD-NSHDSACASA-N 0 0 412.309 4.364 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)Nc2ccc(F)cc2)no1 ZINC000558007873 943353384 /nfs/dbraw/zinc/35/33/84/943353384.db2.gz INOMKFUIPXKEJY-NSHDSACASA-N 0 0 402.407 4.151 20 5 HIBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000558009914 943353937 /nfs/dbraw/zinc/35/39/37/943353937.db2.gz DHBHISBBOKBGKH-HNNXBMFYSA-N 0 0 410.405 4.371 20 5 HIBDRN C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2n[nH]cc2c1 ZINC000558019169 943357275 /nfs/dbraw/zinc/35/72/75/943357275.db2.gz AKZIXTBVPVZQFC-SNVBAGLBSA-N 0 0 407.352 4.050 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1nc2ccccc2cc1Br ZINC000558059802 943368651 /nfs/dbraw/zinc/36/86/51/943368651.db2.gz ASMHPCYEQYLYJO-NSHDSACASA-N 0 0 412.243 4.497 20 5 HIBDRN Cc1ccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OCC(F)F ZINC000558190221 943424400 /nfs/dbraw/zinc/42/44/00/943424400.db2.gz SKSSRQKBKLDQBV-UHFFFAOYSA-N 0 0 418.400 4.393 20 5 HIBDRN Cc1ccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1-c1ncco1 ZINC000558194717 943427652 /nfs/dbraw/zinc/42/76/52/943427652.db2.gz YYZGGMXFCRWQDL-UHFFFAOYSA-N 0 0 405.414 4.404 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000558282638 943481733 /nfs/dbraw/zinc/48/17/33/943481733.db2.gz AZRPQCGGJAMYRC-DYVFJYSZSA-N 0 0 416.503 4.480 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000558318005 943503458 /nfs/dbraw/zinc/50/34/58/943503458.db2.gz UGJMEIYSIHEXFK-UHFFFAOYSA-N 0 0 412.471 4.337 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000558322735 943507187 /nfs/dbraw/zinc/50/71/87/943507187.db2.gz WYKJEPRQEKYTQJ-UHFFFAOYSA-N 0 0 408.414 4.147 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccccc3OCc3ccc(F)cc3)n2)n1C ZINC000558384564 943539304 /nfs/dbraw/zinc/53/93/04/943539304.db2.gz KLBLXTDVKHHINJ-UHFFFAOYSA-N 0 0 409.377 4.072 20 5 HIBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@@H](NC(=O)c2ccccc2)C2CC2)no1 ZINC000558395558 943546346 /nfs/dbraw/zinc/54/63/46/943546346.db2.gz VHWNNKZDROZIFF-QQBSYFJQSA-N 0 0 404.426 4.419 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(OC)cc2)cc1OC ZINC000558465873 943566516 /nfs/dbraw/zinc/56/65/16/943566516.db2.gz RDKJZGSBMKDUNT-CQSZACIVSA-N 0 0 423.487 4.011 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000558525426 943588549 /nfs/dbraw/zinc/58/85/49/943588549.db2.gz USQZDKLLRRGLPQ-GOSISDBHSA-N 0 0 419.428 4.278 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(CCc2ccc(OC(F)F)cc2)n1 ZINC000558575145 943605104 /nfs/dbraw/zinc/60/51/04/943605104.db2.gz UXNOLVHXKXHUFC-UHFFFAOYSA-N 0 0 404.373 4.019 20 5 HIBDRN COc1ccccc1C[C@@H]1CCCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558642037 943623877 /nfs/dbraw/zinc/62/38/77/943623877.db2.gz JDFSEFMDNOWPNZ-SFHVURJKSA-N 0 0 422.485 4.044 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(OC(F)F)c(OCC)c2)c1 ZINC000558760689 943649578 /nfs/dbraw/zinc/64/95/78/943649578.db2.gz OMOMFXIMOCUBIM-UHFFFAOYSA-N 0 0 424.400 4.266 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(SCCOC)cc2)c1 ZINC000558805442 943670854 /nfs/dbraw/zinc/67/08/54/943670854.db2.gz MDBVFXNSHYUMEC-AWEZNQCLSA-N 0 0 404.488 4.223 20 5 HIBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000558807667 943671542 /nfs/dbraw/zinc/67/15/42/943671542.db2.gz NNYHCTRHTIVSNG-GOSISDBHSA-N 0 0 410.396 4.248 20 5 HIBDRN CC(=O)N(c1nnc(SCc2cc([N+](=O)[O-])ccc2C(F)(F)F)s1)C1CC1 ZINC000558829744 943683463 /nfs/dbraw/zinc/68/34/63/943683463.db2.gz CYBNTUAFEVYGJU-UHFFFAOYSA-N 0 0 418.422 4.273 20 5 HIBDRN CCn1c(-c2ccccc2C)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000558835115 943687389 /nfs/dbraw/zinc/68/73/89/943687389.db2.gz AMPYCLUONMUVEG-UHFFFAOYSA-N 0 0 407.474 4.229 20 5 HIBDRN CC1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)CCS1 ZINC000558924655 943749154 /nfs/dbraw/zinc/74/91/54/943749154.db2.gz IXIWSOLYQAHWOM-UHFFFAOYSA-N 0 0 409.515 4.233 20 5 HIBDRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000558927930 943751278 /nfs/dbraw/zinc/75/12/78/943751278.db2.gz MUDLRLIROFWVTJ-UHFFFAOYSA-N 0 0 422.840 4.366 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc3ccc(Br)cn32)cc1OC(F)F ZINC000558991998 943792250 /nfs/dbraw/zinc/79/22/50/943792250.db2.gz BXXYWMPLRFPROI-UHFFFAOYSA-N 0 0 417.191 4.153 20 5 HIBDRN CCOCCCn1c(-c2cc(C)oc2C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000559056233 943817375 /nfs/dbraw/zinc/81/73/75/943817375.db2.gz KCXJZCMNMVCYMO-UHFFFAOYSA-N 0 0 413.478 4.126 20 5 HIBDRN O=C(NCc1cc(-c2ccccc2)on1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000559066884 943822287 /nfs/dbraw/zinc/82/22/87/943822287.db2.gz FWMCEONSULRTAT-UHFFFAOYSA-N 0 0 404.329 4.173 20 5 HIBDRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC000559074509 943826529 /nfs/dbraw/zinc/82/65/29/943826529.db2.gz NSKYGQPTRJJUFL-LBPRGKRZSA-N 0 0 423.391 4.072 20 5 HIBDRN CC(C)CO[C@H](C)c1noc(CN(C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000559105833 943842257 /nfs/dbraw/zinc/84/22/57/943842257.db2.gz IAAHVXBBVMJLKK-GFCCVEGCSA-N 0 0 416.400 4.362 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000559146947 943854063 /nfs/dbraw/zinc/85/40/63/943854063.db2.gz OSQDADOVFZRFLT-UHFFFAOYSA-N 0 0 400.435 4.445 20 5 HIBDRN CC(=O)c1cccc(OC[C@H](O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000559297303 943892006 /nfs/dbraw/zinc/89/20/06/943892006.db2.gz AWUHZSCJWOXSSD-NRFANRHFSA-N 0 0 421.449 4.207 20 5 HIBDRN CC(=O)c1cccc(OC[C@@H](O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000559297304 943892056 /nfs/dbraw/zinc/89/20/56/943892056.db2.gz AWUHZSCJWOXSSD-OAQYLSRUSA-N 0 0 421.449 4.207 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000559349239 943903670 /nfs/dbraw/zinc/90/36/70/943903670.db2.gz WPQIYOFXAJCLKC-CQSZACIVSA-N 0 0 408.414 4.252 20 5 HIBDRN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000559361462 943910432 /nfs/dbraw/zinc/91/04/32/943910432.db2.gz BTCRTCWUQWIUQJ-SNVBAGLBSA-N 0 0 406.236 4.058 20 5 HIBDRN Cc1c(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)cccc1[N+](=O)[O-] ZINC000559543432 943999711 /nfs/dbraw/zinc/99/97/11/943999711.db2.gz HXLLFAUKSGZGRZ-UHFFFAOYSA-N 0 0 403.866 4.471 20 5 HIBDRN O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000559559678 944004263 /nfs/dbraw/zinc/00/42/63/944004263.db2.gz NIGSKHPCQDZPDN-UHFFFAOYSA-N 0 0 415.356 4.173 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000559579010 944010147 /nfs/dbraw/zinc/01/01/47/944010147.db2.gz CBOHGXDRJOOMBE-OAHLLOKOSA-N 0 0 403.276 4.295 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000559580075 944011124 /nfs/dbraw/zinc/01/11/24/944011124.db2.gz ALRCSUAJIIKGKP-HNNXBMFYSA-N 0 0 421.247 4.086 20 5 HIBDRN COc1ccc(COCc2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)cc1 ZINC000559945658 944095581 /nfs/dbraw/zinc/09/55/81/944095581.db2.gz XBEOJRINBDTBPV-UHFFFAOYSA-N 0 0 409.320 4.389 20 5 HIBDRN O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000559978197 944107993 /nfs/dbraw/zinc/10/79/93/944107993.db2.gz SACVHIQUJBQYOV-UHFFFAOYSA-N 0 0 404.304 4.448 20 5 HIBDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000560045550 944139021 /nfs/dbraw/zinc/13/90/21/944139021.db2.gz WSRIXONKKNIWIZ-UHFFFAOYSA-N 0 0 409.364 4.313 20 5 HIBDRN CCn1cc(CC(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cn1 ZINC000560089201 944154580 /nfs/dbraw/zinc/15/45/80/944154580.db2.gz PSJGTBRAOXZNLI-UHFFFAOYSA-N 0 0 413.503 4.166 20 5 HIBDRN CC(C)C(=O)Nc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccn1 ZINC000560097539 944158277 /nfs/dbraw/zinc/15/82/77/944158277.db2.gz WCMCYWSQHKXEFF-UHFFFAOYSA-N 0 0 418.453 4.431 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2)o1 ZINC000560098118 944158381 /nfs/dbraw/zinc/15/83/81/944158381.db2.gz WATAGYNZWSMZSW-UHFFFAOYSA-N 0 0 406.320 4.478 20 5 HIBDRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560127456 944169309 /nfs/dbraw/zinc/16/93/09/944169309.db2.gz BVNAKPCNAHSKAG-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN CSc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)ccc1NC(C)=O ZINC000560128285 944169569 /nfs/dbraw/zinc/16/95/69/944169569.db2.gz RMCLORWBEGRDEO-UHFFFAOYSA-N 0 0 424.276 4.290 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000560145544 944178187 /nfs/dbraw/zinc/17/81/87/944178187.db2.gz CIHSXHRBMMCWNR-FQEVSTJZSA-N 0 0 401.344 4.132 20 5 HIBDRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000560219650 944200278 /nfs/dbraw/zinc/20/02/78/944200278.db2.gz SLISLYIMWHQJPR-LBPRGKRZSA-N 0 0 413.783 4.276 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000560224154 944200773 /nfs/dbraw/zinc/20/07/73/944200773.db2.gz ZZMPOTLNRWCTEP-UHFFFAOYSA-N 0 0 421.400 4.379 20 5 HIBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000560272880 944214934 /nfs/dbraw/zinc/21/49/34/944214934.db2.gz QMDXFPRSIYIFHQ-HNNXBMFYSA-N 0 0 421.453 4.018 20 5 HIBDRN Cn1ccnc1[C@H](NCc1ccnc(OC2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000560529360 944243916 /nfs/dbraw/zinc/24/39/16/944243916.db2.gz MCEFOJNNGBOOSH-JOCHJYFZSA-N 0 0 421.501 4.314 20 5 HIBDRN COc1ccncc1CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000560541925 944248158 /nfs/dbraw/zinc/24/81/58/944248158.db2.gz BDSUIRNFTJWKQS-UHFFFAOYSA-N 0 0 415.453 4.141 20 5 HIBDRN CCc1nocc1CN(C)Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000560607983 944272751 /nfs/dbraw/zinc/27/27/51/944272751.db2.gz ARVPVRYMJYYUEO-UHFFFAOYSA-N 0 0 411.458 4.365 20 5 HIBDRN Cn1cc(CN2C[C@H]3CCCCN3c3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000560618725 944276775 /nfs/dbraw/zinc/27/67/75/944276775.db2.gz GRDYGWCMDQZGBZ-HXUWFJFHSA-N 0 0 403.486 4.374 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000560681814 944292725 /nfs/dbraw/zinc/29/27/25/944292725.db2.gz HAZDWXLUDMJPFL-LLVKDONJSA-N 0 0 422.363 4.113 20 5 HIBDRN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Oc1cc(F)cc(F)c1 ZINC000560710846 944305131 /nfs/dbraw/zinc/30/51/31/944305131.db2.gz XLVRUIDUNAMQCE-UHFFFAOYSA-N 0 0 401.369 4.009 20 5 HIBDRN O=C(Nc1nncn1C1CC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000560753930 944319927 /nfs/dbraw/zinc/31/99/27/944319927.db2.gz CQDPNQUWIGKANN-UHFFFAOYSA-N 0 0 412.837 4.039 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1(c2ccccn2)CCC1 ZINC000560774799 944328179 /nfs/dbraw/zinc/32/81/79/944328179.db2.gz RSARPWDVZXTNMT-UHFFFAOYSA-N 0 0 422.407 4.049 20 5 HIBDRN CCOc1cc(C(=O)NCC(F)(F)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000560778563 944329066 /nfs/dbraw/zinc/32/90/66/944329066.db2.gz XIGRVQIJYUVWMN-UHFFFAOYSA-N 0 0 414.792 4.177 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1OC(F)F ZINC000560836836 944351461 /nfs/dbraw/zinc/35/14/61/944351461.db2.gz DCMJTSWABCOCBF-LBPRGKRZSA-N 0 0 419.306 4.268 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000560852470 944358519 /nfs/dbraw/zinc/35/85/19/944358519.db2.gz QKYXZMRGDYWISQ-LIRRHRJNSA-N 0 0 406.891 4.234 20 5 HIBDRN Cc1c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cccc1-c1ncco1 ZINC000560989780 944387961 /nfs/dbraw/zinc/38/79/61/944387961.db2.gz ZWQPZZNJTQRZLZ-UHFFFAOYSA-N 0 0 403.398 4.211 20 5 HIBDRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000561004260 944393195 /nfs/dbraw/zinc/39/31/95/944393195.db2.gz YODUKDGZKMLCAN-UHFFFAOYSA-N 0 0 407.348 4.289 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc3cc(Br)cnc32)cccc1[N+](=O)[O-] ZINC000561048150 944414793 /nfs/dbraw/zinc/41/47/93/944414793.db2.gz GUKIMRGLLURVPB-UHFFFAOYSA-N 0 0 400.232 4.395 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@H]1CCCSC1 ZINC000561074666 944430816 /nfs/dbraw/zinc/43/08/16/944430816.db2.gz CXASQNYWGDOEND-SFHVURJKSA-N 0 0 422.510 4.002 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000561141549 944478239 /nfs/dbraw/zinc/47/82/39/944478239.db2.gz MSQGYVOQAFYKGW-UHFFFAOYSA-N 0 0 424.360 4.193 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000561193579 944508377 /nfs/dbraw/zinc/50/83/77/944508377.db2.gz LFQTZSZRMMJOQF-GUDVDZBRSA-N 0 0 408.479 4.454 20 5 HIBDRN COc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(C(F)(F)F)c1 ZINC000561199696 944512060 /nfs/dbraw/zinc/51/20/60/944512060.db2.gz RAFIBMIIDYGHAI-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CC(=O)c1cc(N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000561206881 944514376 /nfs/dbraw/zinc/51/43/76/944514376.db2.gz YJIQQYHFTTXHRY-QFIPXVFZSA-N 0 0 424.478 4.402 20 5 HIBDRN CC(=O)c1cc(N2CCO[C@H](c3ccc(F)c(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000561307391 944545365 /nfs/dbraw/zinc/54/53/65/944545365.db2.gz KXXHKDBMDXCDLZ-SFHVURJKSA-N 0 0 423.238 4.277 20 5 HIBDRN CNC(=O)c1ccc(NC[C@H](OCC2CC2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000561338240 944556344 /nfs/dbraw/zinc/55/63/44/944556344.db2.gz MNWDDGCJQZLOTE-IBGZPJMESA-N 0 0 403.866 4.188 20 5 HIBDRN O=C(CCCc1ccccc1)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000561359635 944562630 /nfs/dbraw/zinc/56/26/30/944562630.db2.gz AYFSPPDROBGIJX-LJQANCHMSA-N 0 0 418.497 4.251 20 5 HIBDRN COc1ccc(CSCC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000561416635 944587385 /nfs/dbraw/zinc/58/73/85/944587385.db2.gz BUTMTFGSYMCLOM-MAUKXSAKSA-N 0 0 400.500 4.446 20 5 HIBDRN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000561444832 944602882 /nfs/dbraw/zinc/60/28/82/944602882.db2.gz XOSDDCFZKSXGIL-CDHQVMDDSA-N 0 0 402.878 4.258 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000561488522 944631073 /nfs/dbraw/zinc/63/10/73/944631073.db2.gz NXQYYTIVOIMPII-GOSISDBHSA-N 0 0 407.239 4.377 20 5 HIBDRN CCCOc1ccc([C@H](C)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000561499661 944637962 /nfs/dbraw/zinc/63/79/62/944637962.db2.gz SCSGZBBJSKTFSO-INIZCTEOSA-N 0 0 415.490 4.337 20 5 HIBDRN O=C(N[C@H]1CCCc2sc(Cl)cc21)c1cc([N+](=O)[O-])ccc1SCCO ZINC000561513418 944646909 /nfs/dbraw/zinc/64/69/09/944646909.db2.gz XAKZQDVXIAWLSP-ZDUSSCGKSA-N 0 0 412.920 4.202 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000561640467 944721737 /nfs/dbraw/zinc/72/17/37/944721737.db2.gz DNMDMGHFKCGJKL-UHFFFAOYSA-N 0 0 412.273 4.260 20 5 HIBDRN O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000561679500 944743115 /nfs/dbraw/zinc/74/31/15/944743115.db2.gz GHRSRRCIVQXNBE-UHFFFAOYSA-N 0 0 414.418 4.121 20 5 HIBDRN CC(C)[C@@H](CO)CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000561691220 944749226 /nfs/dbraw/zinc/74/92/26/944749226.db2.gz OXPBKJFTXDXJSL-CYBMUJFWSA-N 0 0 408.907 4.394 20 5 HIBDRN CC(C)(NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1ccccc1[N+](=O)[O-] ZINC000561696505 944751252 /nfs/dbraw/zinc/75/12/52/944751252.db2.gz LAQSLNKCYOSTJS-UHFFFAOYSA-N 0 0 423.494 4.251 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)c1OC ZINC000561717935 944760939 /nfs/dbraw/zinc/76/09/39/944760939.db2.gz PHNPCVQAWAMGKS-HNNXBMFYSA-N 0 0 413.474 4.012 20 5 HIBDRN CCOc1cccc2cc([C@@H](C)NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)oc21 ZINC000561800565 944802544 /nfs/dbraw/zinc/80/25/44/944802544.db2.gz CCAOTXMNCGYHCV-GFCCVEGCSA-N 0 0 421.409 4.485 20 5 HIBDRN C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000561838283 944817005 /nfs/dbraw/zinc/81/70/05/944817005.db2.gz UORGCWULEASBLV-RNODOKPDSA-N 0 0 409.467 4.151 20 5 HIBDRN O=[N+]([O-])c1ccccc1Cc1noc(-c2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1 ZINC000561858811 944824293 /nfs/dbraw/zinc/82/42/93/944824293.db2.gz BZWLEXJSXXYHJE-UHFFFAOYSA-N 0 0 415.331 4.440 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C)c(Br)cc2F)cc([N+](=O)[O-])c1OC ZINC000561865998 944827633 /nfs/dbraw/zinc/82/76/33/944827633.db2.gz JFXAIJXKWDRIQV-UHFFFAOYSA-N 0 0 413.199 4.074 20 5 HIBDRN O=C(Nc1cc(F)c(Cl)cc1N1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000561878503 944833400 /nfs/dbraw/zinc/83/34/00/944833400.db2.gz DPEUANRNQBXIQC-UHFFFAOYSA-N 0 0 414.220 4.130 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)cc([N+](=O)[O-])c1OC ZINC000561885369 944837630 /nfs/dbraw/zinc/83/76/30/944837630.db2.gz WPPWNCXQXRPXFF-OAHLLOKOSA-N 0 0 422.890 4.272 20 5 HIBDRN COCc1cccc(-c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 ZINC000561891738 944840332 /nfs/dbraw/zinc/84/03/32/944840332.db2.gz RLXFDEUVUOQKNE-LJQANCHMSA-N 0 0 422.441 4.077 20 5 HIBDRN CCCCS(=O)(=O)c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)cc1 ZINC000561896923 944844096 /nfs/dbraw/zinc/84/40/96/944844096.db2.gz MXTCCASKLOHUQT-UHFFFAOYSA-N 0 0 401.444 4.194 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C(=O)OC)c(C(C)C)s1 ZINC000561896316 944844145 /nfs/dbraw/zinc/84/41/45/944844145.db2.gz FGMXHTOAVWHTLV-ZDUSSCGKSA-N 0 0 405.476 4.169 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)c1[N+](=O)[O-] ZINC000562118711 944951883 /nfs/dbraw/zinc/95/18/83/944951883.db2.gz YAYVESAFOUOONR-UHFFFAOYSA-N 0 0 400.822 4.365 20 5 HIBDRN COCc1cccc2sc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])nc21 ZINC000562173956 945003128 /nfs/dbraw/zinc/00/31/28/945003128.db2.gz 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Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000564097923 945379059 /nfs/dbraw/zinc/37/90/59/945379059.db2.gz VYZBHONZVDAAAU-OAHLLOKOSA-N 0 0 413.455 4.130 20 5 HIBDRN Cc1ccc(Cl)c(O[C@H](C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000564126340 945391397 /nfs/dbraw/zinc/39/13/97/945391397.db2.gz UHYJMZIOMCMKQU-CYBMUJFWSA-N 0 0 401.850 4.164 20 5 HIBDRN CNc1ccc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cc1[N+](=O)[O-] ZINC000564155610 945405259 /nfs/dbraw/zinc/40/52/59/945405259.db2.gz RFHHPCRNNYYEET-OAHLLOKOSA-N 0 0 409.471 4.209 20 5 HIBDRN Nc1ccc(-c2noc(-c3cc4sc(N5CCCC5)nc4s3)n2)cc1[N+](=O)[O-] ZINC000564211659 945435992 /nfs/dbraw/zinc/43/59/92/945435992.db2.gz CCCQOHDKQFQNIM-UHFFFAOYSA-N 0 0 414.472 4.165 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc3c(c2)ncn3C)no1 ZINC000564255019 945472249 /nfs/dbraw/zinc/47/22/49/945472249.db2.gz JSGCQZBBUNBSOO-UHFFFAOYSA-N 0 0 414.219 4.269 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2csc([C@H](C)OC)n2)no1 ZINC000564263204 945478745 /nfs/dbraw/zinc/47/87/45/945478745.db2.gz APCMBGKBYMNPGX-GXTWGEPZSA-N 0 0 402.476 4.469 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3CN(Cc4ccccc4)[C@@H](C)CO3)no2)c1 ZINC000564268699 945484486 /nfs/dbraw/zinc/48/44/86/945484486.db2.gz HYCAOWKCSLHPKV-YWZLYKJASA-N 0 0 424.457 4.006 20 5 HIBDRN CCO[C@H](c1noc(-c2cc([N+](=O)[O-])cn2C)n1)c1ccc(F)cc1C(F)(F)F ZINC000564282986 945494854 /nfs/dbraw/zinc/49/48/54/945494854.db2.gz QSCZIWDQIDYXRZ-AWEZNQCLSA-N 0 0 414.315 4.267 20 5 HIBDRN CC(C)(c1nc([C@H](NC(=O)c2ccccc2)C2CC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000564290281 945500965 /nfs/dbraw/zinc/50/09/65/945500965.db2.gz PCNGFKKSEVDLJJ-GOSISDBHSA-N 0 0 424.432 4.324 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1Cl)C(C)C ZINC000564381847 945544921 /nfs/dbraw/zinc/54/49/21/945544921.db2.gz SKEUDUXDWWFICT-GOSISDBHSA-N 0 0 403.866 4.263 20 5 HIBDRN Cc1csc(Nc2ccc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)cc2)n1 ZINC000564462470 945602586 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403.847 4.133 20 5 HIBDRN CCOc1ccc(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000572991461 948054176 /nfs/dbraw/zinc/05/41/76/948054176.db2.gz FAQJWDXRIPUXPE-LJQANCHMSA-N 0 0 400.866 4.260 20 5 HIBDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000573030742 948063738 /nfs/dbraw/zinc/06/37/38/948063738.db2.gz SLNJNPAYHKUTMR-UHFFFAOYSA-N 0 0 401.850 4.014 20 5 HIBDRN COc1cc(-c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)ccc1OC[C@H]1CCCO1 ZINC000573051399 948072179 /nfs/dbraw/zinc/07/21/79/948072179.db2.gz JTSDOZAOKZPVSX-IEODJVTJSA-N 0 0 423.425 4.382 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H](c2ccsc2)O1 ZINC000573152045 948092697 /nfs/dbraw/zinc/09/26/97/948092697.db2.gz GIQCMVIWIWKANU-BONVTDFDSA-N 0 0 400.378 4.277 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](c2ccsc2)O1 ZINC000573152046 948092900 /nfs/dbraw/zinc/09/29/00/948092900.db2.gz GIQCMVIWIWKANU-MEBBXXQBSA-N 0 0 400.378 4.277 20 5 HIBDRN 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COc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc([N+](=O)[O-])c1C ZINC000573864244 948313332 /nfs/dbraw/zinc/31/33/32/948313332.db2.gz MTEVEZAMVAMPAL-SFHVURJKSA-N 0 0 408.458 4.166 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000573875171 948316635 /nfs/dbraw/zinc/31/66/35/948316635.db2.gz IATIGZMNQSTTQQ-UONOGXRCSA-N 0 0 404.488 4.278 20 5 HIBDRN COc1cccc(-c2nc([C@H](OC)c3ccc(Br)cc3)no2)c1[N+](=O)[O-] ZINC000573960372 948335120 /nfs/dbraw/zinc/33/51/20/948335120.db2.gz XEFVJOFXRRVPGB-OAHLLOKOSA-N 0 0 420.219 4.152 20 5 HIBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC000574049451 948353839 /nfs/dbraw/zinc/35/38/39/948353839.db2.gz LPEGMVPOAXOINN-UHFFFAOYSA-N 0 0 423.494 4.283 20 5 HIBDRN COc1ccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c(OC)n1 ZINC000574066568 948356592 /nfs/dbraw/zinc/35/65/92/948356592.db2.gz NBCPNAXPMQHFFM-UHFFFAOYSA-N 0 0 413.405 4.228 20 5 HIBDRN COc1ccccc1Nc1ncccc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000574118261 948369068 /nfs/dbraw/zinc/36/90/68/948369068.db2.gz RXXZCTFYKSDSLZ-UHFFFAOYSA-N 0 0 404.386 4.041 20 5 HIBDRN Cc1cccc(CN(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000574125094 948372531 /nfs/dbraw/zinc/37/25/31/948372531.db2.gz HRSMCKDBPYOVAZ-INIZCTEOSA-N 0 0 405.458 4.139 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])Cc1c(Br)cncc1Br ZINC000574127074 948373523 /nfs/dbraw/zinc/37/35/23/948373523.db2.gz KBGRIABCLFJYBP-UHFFFAOYSA-N 0 0 415.085 4.147 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000574243677 948396297 /nfs/dbraw/zinc/39/62/97/948396297.db2.gz RZBQDIUNPWWHKJ-RTBURBONSA-N 0 0 422.407 4.358 20 5 HIBDRN Cc1cc(Oc2ncccn2)ccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000574304661 948407614 /nfs/dbraw/zinc/40/76/14/948407614.db2.gz XXSKXBGZDONJMM-UHFFFAOYSA-N 0 0 407.430 4.192 20 5 HIBDRN CC[C@H](c1cccc(OC)c1)N(C)C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000574317145 948409855 /nfs/dbraw/zinc/40/98/55/948409855.db2.gz LIMIXXHKDMGKFI-GOSISDBHSA-N 0 0 418.515 4.455 20 5 HIBDRN CC(C)N(Cc1cn2ccc(Br)cc2n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000574328983 948414482 /nfs/dbraw/zinc/41/44/82/948414482.db2.gz VQQDKQQMTRTFLF-UHFFFAOYSA-N 0 0 403.280 4.416 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3ncoc3-c3cccc(C(F)(F)F)c3)n2)n1C ZINC000574555575 948470808 /nfs/dbraw/zinc/47/08/08/948470808.db2.gz DWRVNHABOVJZTG-UHFFFAOYSA-N 0 0 420.307 4.028 20 5 HIBDRN O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000574711676 948508369 /nfs/dbraw/zinc/50/83/69/948508369.db2.gz FQSDVVHTPZKSQI-UHFFFAOYSA-N 0 0 408.845 4.458 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1SC ZINC000574715646 948510783 /nfs/dbraw/zinc/51/07/83/948510783.db2.gz HCNOTLRTCPXSRQ-CQSZACIVSA-N 0 0 422.890 4.272 20 5 HIBDRN Cc1nc2cc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)ccc2n1Cc1ccsc1 ZINC000574720914 948511677 /nfs/dbraw/zinc/51/16/77/948511677.db2.gz GZMNASVRKBAVTR-UHFFFAOYSA-N 0 0 407.455 4.034 20 5 HIBDRN Nc1c(F)c(NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)ccc1[N+](=O)[O-] ZINC000574731479 948517064 /nfs/dbraw/zinc/51/70/64/948517064.db2.gz BTOAJMNTYLAAFA-UHFFFAOYSA-N 0 0 411.315 4.083 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C ZINC000574941481 948559636 /nfs/dbraw/zinc/55/96/36/948559636.db2.gz ZZTBDDMMAPBAMX-UHFFFAOYSA-N 0 0 415.837 4.073 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1ccccn1)c1ccccc1OC ZINC000574947142 948562870 /nfs/dbraw/zinc/56/28/70/948562870.db2.gz OZRJDMYKQHPIJQ-NRFANRHFSA-N 0 0 406.442 4.472 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000576025128 948811789 /nfs/dbraw/zinc/81/17/89/948811789.db2.gz WSKFMBZYUSVUCQ-UHFFFAOYSA-N 0 0 411.727 4.100 20 5 HIBDRN O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000583621794 560777076 /nfs/dbraw/zinc/77/70/76/560777076.db2.gz SCXROSKNMJDORV-KRWDZBQOSA-N 0 0 406.870 4.252 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3CCCO[C@H]3C2)c(Cl)nn1 ZINC001164420000 718907456 /nfs/dbraw/zinc/90/74/56/718907456.db2.gz FNDGBCMLYPSATO-SJCJKPOMSA-N 0 0 424.835 4.255 20 5 HIBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CCC[C@@]3(COc3ccccn3)C2)c1 ZINC001164795214 721505729 /nfs/dbraw/zinc/50/57/29/721505729.db2.gz HHSQAWSFLXOSFR-UGSOOPFHSA-N 0 0 424.835 4.269 20 5 HIBDRN Cc1nc2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)ccc2[nH]1 ZINC000435931699 861191318 /nfs/dbraw/zinc/19/13/18/861191318.db2.gz YVXZESWXFBQEFL-UHFFFAOYSA-N 0 0 404.376 4.397 20 5 HIBDRN CO[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1 ZINC000435935821 861197746 /nfs/dbraw/zinc/19/77/46/861197746.db2.gz MKVYJKYVZGEBLC-HXUWFJFHSA-N 0 0 408.404 4.077 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)c1cc([N+](=O)[O-])ccc1SCCO ZINC000435974141 861239963 /nfs/dbraw/zinc/23/99/63/861239963.db2.gz GVIUVYUTLPMAOL-AZUAARDMSA-N 0 0 408.479 4.118 20 5 HIBDRN CCc1c(NC(=O)c2cccc(OC)c2[N+](=O)[O-])cnn1-c1ccccc1Cl ZINC000435978100 861245181 /nfs/dbraw/zinc/24/51/81/861245181.db2.gz ILYOVZUTKZBKSH-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN CCn1ccnc1[C@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000435987366 861262124 /nfs/dbraw/zinc/26/21/24/861262124.db2.gz WXIJLUPAPKGZDY-CQSZACIVSA-N 0 0 408.911 4.311 20 5 HIBDRN Cc1c(CC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cccc1[N+](=O)[O-] ZINC000435990267 861268215 /nfs/dbraw/zinc/26/82/15/861268215.db2.gz AMHNRPVJOAUXFT-SHTZXODSSA-N 0 0 421.266 4.410 20 5 HIBDRN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000435993554 861272901 /nfs/dbraw/zinc/27/29/01/861272901.db2.gz JOEHFJMTPFUFJJ-HNNXBMFYSA-N 0 0 421.295 4.250 20 5 HIBDRN Cc1c(Br)cc(-c2nc(COc3ccccc3F)no2)cc1[N+](=O)[O-] ZINC000436012714 861303884 /nfs/dbraw/zinc/30/38/84/861303884.db2.gz AAEDOLDKEOXJJX-UHFFFAOYSA-N 0 0 408.183 4.434 20 5 HIBDRN COc1cccc(C(=O)N2CCCc3c(F)cc(Br)cc32)c1[N+](=O)[O-] ZINC000436030693 861323964 /nfs/dbraw/zinc/32/39/64/861323964.db2.gz VMSXXYHPEVDKNT-UHFFFAOYSA-N 0 0 409.211 4.098 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000436044066 861334517 /nfs/dbraw/zinc/33/45/17/861334517.db2.gz WHWCXSPLETYRPE-UHFFFAOYSA-N 0 0 417.893 4.258 20 5 HIBDRN COc1c(F)cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1F ZINC000436069553 861350662 /nfs/dbraw/zinc/35/06/62/861350662.db2.gz XLWSEEMTEXTWJE-UHFFFAOYSA-N 0 0 416.330 4.499 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)c2)n[nH]1 ZINC000436075342 861355139 /nfs/dbraw/zinc/35/51/39/861355139.db2.gz MHAIFKLOWCLWJK-UHFFFAOYSA-N 0 0 413.412 4.166 20 5 HIBDRN C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1cccc([N+](=O)[O-])c1 ZINC000436076163 861355515 /nfs/dbraw/zinc/35/55/15/861355515.db2.gz OZCZGMCQKXCDMX-NSHDSACASA-N 0 0 423.375 4.359 20 5 HIBDRN C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1cccc([N+](=O)[O-])c1 ZINC000436076126 861355541 /nfs/dbraw/zinc/35/55/41/861355541.db2.gz ORDGOCDRBFZBGX-NSHDSACASA-N 0 0 423.375 4.359 20 5 HIBDRN CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436081247 861360427 /nfs/dbraw/zinc/36/04/27/861360427.db2.gz OZAYQBVHPGBXGF-UHFFFAOYSA-N 0 0 411.461 4.233 20 5 HIBDRN COCc1ccccc1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436085465 861365082 /nfs/dbraw/zinc/36/50/82/861365082.db2.gz GKCKKKKFXQKNCT-UHFFFAOYSA-N 0 0 408.404 4.036 20 5 HIBDRN COc1ccc(CS(=O)(=O)Cc2nc(C3CCCCC3)cs2)cc1[N+](=O)[O-] ZINC000436090871 861370981 /nfs/dbraw/zinc/37/09/81/861370981.db2.gz HFGLFWCEBALOBP-UHFFFAOYSA-N 0 0 410.517 4.223 20 5 HIBDRN O=C(NCc1cccnc1OC1CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436110877 861397068 /nfs/dbraw/zinc/39/70/68/861397068.db2.gz XSDKGXRKPAQNKW-UHFFFAOYSA-N 0 0 413.477 4.328 20 5 HIBDRN O=C(Nc1cccc(-n2cccn2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436114363 861398723 /nfs/dbraw/zinc/39/87/23/861398723.db2.gz ZPGVZDZVTJJTNA-UHFFFAOYSA-N 0 0 416.387 4.398 20 5 HIBDRN CC(C)Cc1nnc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)s1 ZINC000436143319 861439636 /nfs/dbraw/zinc/43/96/36/861439636.db2.gz WADUAAAVYSNQEN-UHFFFAOYSA-N 0 0 414.437 4.262 20 5 HIBDRN C[C@@H]1COCCN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000436159786 861459570 /nfs/dbraw/zinc/45/95/70/861459570.db2.gz ZXAGBLNXZUXCIK-UHVIJJLKSA-N 0 0 423.494 4.383 20 5 HIBDRN COc1ccc(CCCN(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000436160601 861462150 /nfs/dbraw/zinc/46/21/50/861462150.db2.gz ZPSHSJSTLFDXFL-UHFFFAOYSA-N 0 0 400.478 4.395 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000436172328 861473808 /nfs/dbraw/zinc/47/38/08/861473808.db2.gz PSFSGDHSIMDZBP-STQMWFEESA-N 0 0 401.850 4.229 20 5 HIBDRN CN(C(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000436191037 861492444 /nfs/dbraw/zinc/49/24/44/861492444.db2.gz VZLBYPZDJXFBSD-JOCHJYFZSA-N 0 0 408.433 4.056 20 5 HIBDRN O=C(NCc1cccnn1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000436219114 861519929 /nfs/dbraw/zinc/51/99/29/861519929.db2.gz 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404.850 4.136 20 5 HIBDRN CN(C(=O)CSc1ncnc2sc3c(c21)CCCC3)c1ccc([N+](=O)[O-])cc1 ZINC000011972041 845844921 /nfs/dbraw/zinc/84/49/21/845844921.db2.gz PQRSGHYCKOUVMJ-UHFFFAOYSA-N 0 0 414.512 4.233 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000436307950 861612126 /nfs/dbraw/zinc/61/21/26/861612126.db2.gz OYMUBYGLDROGBG-UHFFFAOYSA-N 0 0 418.428 4.214 20 5 HIBDRN C[C@@H](Sc1nccn1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000012646838 845881341 /nfs/dbraw/zinc/88/13/41/845881341.db2.gz FCMQVNHFLDWSDL-SECBINFHSA-N 0 0 400.382 4.264 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccccc1NC(=O)c1ccsc1 ZINC000012717672 845885943 /nfs/dbraw/zinc/88/59/43/845885943.db2.gz MTVHNHQOGVITLP-UHFFFAOYSA-N 0 0 412.423 4.274 20 5 HIBDRN C[C@H](OC(=O)CCc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012950738 845898959 /nfs/dbraw/zinc/89/89/59/845898959.db2.gz YSXDNIKSGWFJLM-NSHDSACASA-N 0 0 411.241 4.405 20 5 HIBDRN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013928529 845918434 /nfs/dbraw/zinc/91/84/34/845918434.db2.gz HJVXRRCQIDDGPW-MLPAPPSSSA-N 0 0 407.607 4.355 20 5 HIBDRN COc1ccccc1CCN(C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436314531 861620366 /nfs/dbraw/zinc/62/03/66/861620366.db2.gz DEQUHXWFQZYOJA-UHFFFAOYSA-N 0 0 404.441 4.144 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1ccc(N2CCOCC2)nc1 ZINC000014306872 845934762 /nfs/dbraw/zinc/93/47/62/845934762.db2.gz INJOSXTWSWENTQ-UHFFFAOYSA-N 0 0 416.787 4.111 20 5 HIBDRN COc1ccc(CN(C)c2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1OC(F)F ZINC000436319328 861622255 /nfs/dbraw/zinc/62/22/55/861622255.db2.gz REKPGETZFUIIEF-UHFFFAOYSA-N 0 0 407.295 4.255 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc([N+](=O)[O-])c1 ZINC000014707361 845972168 /nfs/dbraw/zinc/97/21/68/845972168.db2.gz OKRURDQSHMJCCH-UHFFFAOYSA-N 0 0 419.365 4.035 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1ccc(OC(F)F)cc1 ZINC000014899390 845990542 /nfs/dbraw/zinc/99/05/42/845990542.db2.gz ZUZOHCHXEISEES-UHFFFAOYSA-N 0 0 422.431 4.115 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1Br ZINC000015008655 845999637 /nfs/dbraw/zinc/99/96/37/845999637.db2.gz JCKQZABETGYHTL-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(Cc1ccccc1Cl)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015033681 846002762 /nfs/dbraw/zinc/00/27/62/846002762.db2.gz ICTJIRAKYJFHFF-UHFFFAOYSA-N 0 0 401.772 4.038 20 5 HIBDRN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 ZINC000015359166 846040404 /nfs/dbraw/zinc/04/04/04/846040404.db2.gz IIRCBZZRRVHHKS-UHFFFAOYSA-N 0 0 418.452 4.049 20 5 HIBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)nc2)c(Cc2ccccc2)c1 ZINC000015364640 846041062 /nfs/dbraw/zinc/04/10/62/846041062.db2.gz MYVYMZFWUCCTSG-UHFFFAOYSA-N 0 0 404.831 4.002 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1nc2ccccc2s1 ZINC000015515054 846056815 /nfs/dbraw/zinc/05/68/15/846056815.db2.gz QVJASZGMWLHUMB-NSHDSACASA-N 0 0 404.879 4.317 20 5 HIBDRN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000015527900 846058566 /nfs/dbraw/zinc/05/85/66/846058566.db2.gz JMQBLTGIMMTCBA-UHFFFAOYSA-N 0 0 416.648 4.266 20 5 HIBDRN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000015535422 846059309 /nfs/dbraw/zinc/05/93/09/846059309.db2.gz HWLWYPWKQDONKP-UHFFFAOYSA-N 0 0 412.486 4.253 20 5 HIBDRN COc1ccc(Cl)cc1CN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000015551165 846062407 /nfs/dbraw/zinc/06/24/07/846062407.db2.gz CPRULELUUMLNDQ-LLVKDONJSA-N 0 0 412.273 4.369 20 5 HIBDRN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015699825 846085454 /nfs/dbraw/zinc/08/54/54/846085454.db2.gz QBRPYHYJWPCAAN-UHFFFAOYSA-N 0 0 423.469 4.491 20 5 HIBDRN COc1ccccc1CCNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015742664 846089147 /nfs/dbraw/zinc/08/91/47/846089147.db2.gz TVUJDXJDHNJKIE-UHFFFAOYSA-N 0 0 414.405 4.073 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1C ZINC000015800748 846092891 /nfs/dbraw/zinc/09/28/91/846092891.db2.gz IEIWRAUXKWMLKW-LBPRGKRZSA-N 0 0 406.822 4.058 20 5 HIBDRN O=C1CCc2cc(Nc3cc(C(F)(F)F)ncc3[N+](=O)[O-])ccc2N1CC1CC1 ZINC000436332913 861639466 /nfs/dbraw/zinc/63/94/66/861639466.db2.gz IOOMNZQCHUJOGO-UHFFFAOYSA-N 0 0 406.364 4.441 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc([N+](=O)[O-])c1 ZINC000016004641 846111386 /nfs/dbraw/zinc/11/13/86/846111386.db2.gz IDWUYOIDNBUXGP-UHFFFAOYSA-N 0 0 405.819 4.287 20 5 HIBDRN O=C(Nc1cc2c(cc1Br)OCCO2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000016009020 846111945 /nfs/dbraw/zinc/11/19/45/846111945.db2.gz WZICRMGYCDIMKL-UHFFFAOYSA-N 0 0 413.611 4.034 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCCOc3ccccc3)cc2[N+](=O)[O-])n1 ZINC000016009332 846112467 /nfs/dbraw/zinc/11/24/67/846112467.db2.gz ONWQSDZGJPSTAX-UHFFFAOYSA-N 0 0 415.496 4.320 20 5 HIBDRN O=[N+]([O-])c1cc(CSc2nnc(-c3cccs3)n2C2CC2)c2c(c1)COCO2 ZINC000016048653 846116134 /nfs/dbraw/zinc/11/61/34/846116134.db2.gz PYBCPVWEKKJMBQ-UHFFFAOYSA-N 0 0 416.484 4.409 20 5 HIBDRN CCCCSc1nnc(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000016120837 846126848 /nfs/dbraw/zinc/12/68/48/846126848.db2.gz DCJWPFFIQJHHKE-UHFFFAOYSA-N 0 0 410.546 4.020 20 5 HIBDRN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000016142681 846129691 /nfs/dbraw/zinc/12/96/91/846129691.db2.gz ISCXIQHEUVVMPC-UHFFFAOYSA-N 0 0 423.494 4.366 20 5 HIBDRN CCn1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000016402727 846166099 /nfs/dbraw/zinc/16/60/99/846166099.db2.gz SLXNYLQEWSULIJ-LBPRGKRZSA-N 0 0 415.833 4.407 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(OC(F)F)cc1 ZINC000016587441 846187278 /nfs/dbraw/zinc/18/72/78/846187278.db2.gz HWOAAJKOEVKODJ-LLVKDONJSA-N 0 0 413.808 4.309 20 5 HIBDRN CCOc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000016636383 846193260 /nfs/dbraw/zinc/19/32/60/846193260.db2.gz BBUSGQSFMSMCQE-UHFFFAOYSA-N 0 0 413.257 4.281 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCO[C@H](c2ccccc2F)C1 ZINC000436339653 861649745 /nfs/dbraw/zinc/64/97/45/861649745.db2.gz HYBFSDOOLQYBMH-QFIPXVFZSA-N 0 0 402.425 4.034 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](OC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000016750554 846206443 /nfs/dbraw/zinc/20/64/43/846206443.db2.gz FSLCPLYPMKDXHX-NRFANRHFSA-N 0 0 420.421 4.449 20 5 HIBDRN NC(=O)c1ccc(CSc2nc3ccccc3n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000016754668 846207386 /nfs/dbraw/zinc/20/73/86/846207386.db2.gz DGJPCAXRKREDPB-UHFFFAOYSA-N 0 0 404.451 4.325 20 5 HIBDRN C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)Nc1c(F)cccc1F ZINC000016800348 846211744 /nfs/dbraw/zinc/21/17/44/846211744.db2.gz DIGHJBDADCSNNN-SECBINFHSA-N 0 0 406.366 4.272 20 5 HIBDRN Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000017048749 846228713 /nfs/dbraw/zinc/22/87/13/846228713.db2.gz XRKCHRWOXIBQGP-CABCVRRESA-N 0 0 402.472 4.263 20 5 HIBDRN O=[N+]([O-])c1ccc(NC(=S)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC000017456851 846253993 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VLEAOHCWUBVFRC-LLVKDONJSA-N 0 0 415.402 4.041 20 5 HIBDRN COc1ccc(-c2nnc(COC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)cc1 ZINC000018336016 846321249 /nfs/dbraw/zinc/32/12/49/846321249.db2.gz KSQKXQARRLVKPC-UHFFFAOYSA-N 0 0 411.395 4.225 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Sc2nccn2-c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000018464772 846328618 /nfs/dbraw/zinc/32/86/18/846328618.db2.gz OTLIQWZTNONRPX-AWEZNQCLSA-N 0 0 412.471 4.217 20 5 HIBDRN C[C@H](OC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000018656657 846335211 /nfs/dbraw/zinc/33/52/11/846335211.db2.gz VACJVUXWBOOBET-JTQLQIEISA-N 0 0 414.361 4.391 20 5 HIBDRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(SC(F)(F)F)cc1 ZINC000018656553 846335260 /nfs/dbraw/zinc/33/52/60/846335260.db2.gz XAPMWYRQSPTIRA-UHFFFAOYSA-N 0 0 415.345 4.430 20 5 HIBDRN O=C(COC(=O)c1ccc(Cl)cc1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000018807376 846342798 /nfs/dbraw/zinc/34/27/98/846342798.db2.gz YRAGSDVRJUNGQU-UHFFFAOYSA-N 0 0 420.702 4.202 20 5 HIBDRN Cc1cccc(Nc2nnc(Sc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])s2)c1 ZINC000018900922 846345201 /nfs/dbraw/zinc/34/52/01/846345201.db2.gz YRSWSXVPKXIDAO-UHFFFAOYSA-N 0 0 422.513 4.053 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000019678820 846371422 /nfs/dbraw/zinc/37/14/22/846371422.db2.gz YYUAQIBFIZGLPB-MRXNPFEDSA-N 0 0 406.486 4.208 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)Cc3ccccc3Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000020010547 846375406 /nfs/dbraw/zinc/37/54/06/846375406.db2.gz CICYUWYUUSTQTP-UHFFFAOYSA-N 0 0 412.877 4.382 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccccc1CCc1ccccc1 ZINC000020888859 846393508 /nfs/dbraw/zinc/39/35/08/846393508.db2.gz ICPQGQZSGXZCPO-UHFFFAOYSA-N 0 0 418.449 4.484 20 5 HIBDRN Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000020990710 846398752 /nfs/dbraw/zinc/39/87/52/846398752.db2.gz XCTNCYTVGHBVQX-JTQLQIEISA-N 0 0 421.866 4.064 20 5 HIBDRN CCc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000021055788 846401570 /nfs/dbraw/zinc/40/15/70/846401570.db2.gz NZLSDOYIKVEOCJ-UHFFFAOYSA-N 0 0 424.482 4.039 20 5 HIBDRN C[C@H](OC(=O)CCc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000021454442 846447467 /nfs/dbraw/zinc/44/74/67/846447467.db2.gz KVJHCYMTOKWYDY-NSHDSACASA-N 0 0 411.241 4.405 20 5 HIBDRN Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021594572 846468212 /nfs/dbraw/zinc/46/82/12/846468212.db2.gz BURMNHPUNXARAA-UHFFFAOYSA-N 0 0 402.863 4.473 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nccn1-c1ccccc1C ZINC000021594575 846468268 /nfs/dbraw/zinc/46/82/68/846468268.db2.gz BDCDLXXHIOYRHJ-CQSZACIVSA-N 0 0 412.471 4.217 20 5 HIBDRN C[C@H](Sc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000021676321 846481958 /nfs/dbraw/zinc/48/19/58/846481958.db2.gz PSJHXDVGIQNUKQ-JTQLQIEISA-N 0 0 412.826 4.050 20 5 HIBDRN C[C@H](Sc1ncnc2sc3c(c21)CCC3)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021682260 846482681 /nfs/dbraw/zinc/48/26/81/846482681.db2.gz HHNFLPNMYBPXDT-VIFPVBQESA-N 0 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CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC000022160955 846538768 /nfs/dbraw/zinc/53/87/68/846538768.db2.gz WWFMJNDVTATVRQ-LLVKDONJSA-N 0 0 406.485 4.223 20 5 HIBDRN CCn1c(=O)c2cc3ccccc3cc2nc1S[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000022178435 846541678 /nfs/dbraw/zinc/54/16/78/846541678.db2.gz HTNWIPMUNOYOAB-INIZCTEOSA-N 0 0 409.555 4.309 20 5 HIBDRN CC(C)n1cnnc1S[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000022208718 846545645 /nfs/dbraw/zinc/54/56/45/846545645.db2.gz KIVLOPMLBBCCHR-NSHDSACASA-N 0 0 418.504 4.010 20 5 HIBDRN CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nc2cc3ccccc3cc2c(=O)n1C ZINC000022253666 846550775 /nfs/dbraw/zinc/55/07/75/846550775.db2.gz ODCKNEIDVIIONT-QAPCUYQASA-N 0 0 409.555 4.358 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)c1 ZINC000022292110 846554548 /nfs/dbraw/zinc/55/45/48/846554548.db2.gz VSMXDIKXNIRAOS-UHFFFAOYSA-N 0 0 406.533 4.257 20 5 HIBDRN CC[C@H](NC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000022467346 846575144 /nfs/dbraw/zinc/57/51/44/846575144.db2.gz NONKNHAZMNVCRL-HNNXBMFYSA-N 0 0 411.241 4.326 20 5 HIBDRN CCNc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000022486480 846577244 /nfs/dbraw/zinc/57/72/44/846577244.db2.gz RNOBAFGMKKSRNS-GFCCVEGCSA-N 0 0 405.838 4.172 20 5 HIBDRN CCNc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000022486486 846577499 /nfs/dbraw/zinc/57/74/99/846577499.db2.gz ROFZROBLVBLSCQ-CYBMUJFWSA-N 0 0 419.865 4.481 20 5 HIBDRN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000022495828 846579269 /nfs/dbraw/zinc/57/92/69/846579269.db2.gz YYXJBCUQKSRLQE-CQSZACIVSA-N 0 0 404.850 4.231 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000022495804 846579336 /nfs/dbraw/zinc/57/93/36/846579336.db2.gz MWFOROQMZFYHGZ-MNOVXSKESA-N 0 0 411.241 4.324 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000022548015 846584606 /nfs/dbraw/zinc/58/46/06/846584606.db2.gz WPJXDQIATGUOKL-NEPJUHHUSA-N 0 0 416.817 4.417 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000022551246 846585602 /nfs/dbraw/zinc/58/56/02/846585602.db2.gz NTEPZHSTDPFLDG-IKYJFFNYSA-N 0 0 408.410 4.163 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022654375 846598936 /nfs/dbraw/zinc/59/89/36/846598936.db2.gz HJVFCCSHSOHNFI-OAHLLOKOSA-N 0 0 419.934 4.073 20 5 HIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000022668634 846600012 /nfs/dbraw/zinc/60/00/12/846600012.db2.gz XDGZTHQXHIAZGM-WDEREUQCSA-N 0 0 411.241 4.324 20 5 HIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1c2ccccc2CC[C@H]1C ZINC000022669614 846601142 /nfs/dbraw/zinc/60/11/42/846601142.db2.gz ZPWBJYDGDPVBBM-OLZOCXBDSA-N 0 0 402.834 4.161 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)CCC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000022693498 846605105 /nfs/dbraw/zinc/60/51/05/846605105.db2.gz MOVVYXJQCKYHEW-ZDUSSCGKSA-N 0 0 418.833 4.090 20 5 HIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000022794681 846621712 /nfs/dbraw/zinc/62/17/12/846621712.db2.gz QONYUFBXRDVNJO-NWDGAFQWSA-N 0 0 416.817 4.417 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000022794674 846621797 /nfs/dbraw/zinc/62/17/97/846621797.db2.gz QONYUFBXRDVNJO-VXGBXAGGSA-N 0 0 416.817 4.417 20 5 HIBDRN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(Cl)s2)NC(=S)N1C ZINC000022827070 846626432 /nfs/dbraw/zinc/62/64/32/846626432.db2.gz ZCWOCXUGDVSKAB-HNNXBMFYSA-N 0 0 422.919 4.083 20 5 HIBDRN Cc1cc(C(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2C)c(C)n1Cc1ccco1 ZINC000022836455 846627688 /nfs/dbraw/zinc/62/76/88/846627688.db2.gz AAXGNZYLOCEAIT-INIZCTEOSA-N 0 0 410.426 4.391 20 5 HIBDRN COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000022907516 846636632 /nfs/dbraw/zinc/63/66/32/846636632.db2.gz VAUOXSQKWCTAHC-LBPRGKRZSA-N 0 0 406.822 4.058 20 5 HIBDRN Cc1c(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000022911356 846636750 /nfs/dbraw/zinc/63/67/50/846636750.db2.gz XXKZRAHBYUUXRN-CVEARBPZSA-N 0 0 406.438 4.479 20 5 HIBDRN CC(C)NC(=O)c1ccc(NCc2ccc(NC(=O)c3ccco3)cc2)c([N+](=O)[O-])c1 ZINC000022978089 846642139 /nfs/dbraw/zinc/64/21/39/846642139.db2.gz KCPVMPBAMLGKLY-UHFFFAOYSA-N 0 0 422.441 4.190 20 5 HIBDRN COc1cccc(CNC(=O)[C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000023214139 846671412 /nfs/dbraw/zinc/67/14/12/846671412.db2.gz MRRORJMFUIJPHK-LLVKDONJSA-N 0 0 403.485 4.010 20 5 HIBDRN COc1ccccc1-n1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1cccs1 ZINC000023615066 846729819 /nfs/dbraw/zinc/72/98/19/846729819.db2.gz NIQJFJQAXFDZLP-UHFFFAOYSA-N 0 0 411.468 4.459 20 5 HIBDRN CC(C)NC(=O)c1ccc(NCc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000023620687 846730967 /nfs/dbraw/zinc/73/09/67/846730967.db2.gz XLYYFNWSWIKCQU-UHFFFAOYSA-N 0 0 411.380 4.286 20 5 HIBDRN CN(C(=O)COc1ccc([N+](=O)[O-])cc1C=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000023962507 846763962 /nfs/dbraw/zinc/76/39/62/846763962.db2.gz NSSFEWBZLIOHIV-HSZRJFAPSA-N 0 0 422.412 4.173 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000024124778 846793320 /nfs/dbraw/zinc/79/33/20/846793320.db2.gz XQQOSQNQMBFDRN-CHWSQXEVSA-N 0 0 422.890 4.149 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccc(Br)cc1 ZINC000024371672 846819096 /nfs/dbraw/zinc/81/90/96/846819096.db2.gz IKSHQIUQMAQRRT-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN Cc1c(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000024933570 846892103 /nfs/dbraw/zinc/89/21/03/846892103.db2.gz UQJCCGRNGVTXMC-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN Cn1c(SCC(=O)Nc2cc(F)ccc2F)nc2cc3ccccc3cc2c1=O ZINC000024969837 846898583 /nfs/dbraw/zinc/89/85/83/846898583.db2.gz GJHTYIPSUCAJRV-UHFFFAOYSA-N 0 0 411.433 4.096 20 5 HIBDRN C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000024969974 846898750 /nfs/dbraw/zinc/89/87/50/846898750.db2.gz NDTUUJRWLHALFJ-OWCLPIDISA-N 0 0 409.555 4.072 20 5 HIBDRN Cc1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C ZINC000024997444 846901632 /nfs/dbraw/zinc/90/16/32/846901632.db2.gz TWEBMROGVZPOJB-HUUCEWRRSA-N 0 0 402.472 4.263 20 5 HIBDRN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000024997957 846902098 /nfs/dbraw/zinc/90/20/98/846902098.db2.gz OPJSVYMUUPJLNL-JYJNAYRXSA-N 0 0 416.499 4.193 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000025020885 846906717 /nfs/dbraw/zinc/90/67/17/846906717.db2.gz BALXBRPWBACBKN-GOSISDBHSA-N 0 0 423.498 4.381 20 5 HIBDRN O=C(CCOc1ccccc1-c1ccccc1)NCCNc1ccccc1[N+](=O)[O-] ZINC000025066998 846916157 /nfs/dbraw/zinc/91/61/57/846916157.db2.gz YBNQMHPSPIMROA-UHFFFAOYSA-N 0 0 405.454 4.259 20 5 HIBDRN O=C(NC(C1CC1)C1CC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000025174696 846936506 /nfs/dbraw/zinc/93/65/06/846936506.db2.gz UIAFWIYBANMYSL-UHFFFAOYSA-N 0 0 411.424 4.135 20 5 HIBDRN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1OC(F)(F)F ZINC000025240775 846946058 /nfs/dbraw/zinc/94/60/58/846946058.db2.gz SETCNMXVRLOZSK-UHFFFAOYSA-N 0 0 417.771 4.217 20 5 HIBDRN COc1cc(C)c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1C ZINC000436393524 861737318 /nfs/dbraw/zinc/73/73/18/861737318.db2.gz UMGXVFLPKCVZCP-UHFFFAOYSA-N 0 0 408.458 4.334 20 5 HIBDRN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000025371991 846970391 /nfs/dbraw/zinc/97/03/91/846970391.db2.gz STRMNGVGDSHJCU-UHFFFAOYSA-N 0 0 412.467 4.307 20 5 HIBDRN CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000025387055 846971906 /nfs/dbraw/zinc/97/19/06/846971906.db2.gz UCWKTFFLVCIDGO-GFCCVEGCSA-N 0 0 406.822 4.139 20 5 HIBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000025548950 846999189 /nfs/dbraw/zinc/99/91/89/846999189.db2.gz IOWPXJAWLWKRQC-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000025615049 847007250 /nfs/dbraw/zinc/00/72/50/847007250.db2.gz KSDKVGZGIQTQHM-KSSFIOAISA-N 0 0 416.499 4.456 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)CCCNc2c3c(ccc2[N+](=O)[O-])NCC3)cc1 ZINC000436398573 861743769 /nfs/dbraw/zinc/74/37/69/861743769.db2.gz GJBCOOOBMRMSQD-HNNXBMFYSA-N 0 0 412.490 4.031 20 5 HIBDRN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000025683608 847020777 /nfs/dbraw/zinc/02/07/77/847020777.db2.gz LGHIWBSABSKYTF-UHFFFAOYSA-N 0 0 419.437 4.382 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000025907651 847055391 /nfs/dbraw/zinc/05/53/91/847055391.db2.gz SCGGYRNLMDAVNH-NRFANRHFSA-N 0 0 411.483 4.291 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000026122021 847091656 /nfs/dbraw/zinc/09/16/56/847091656.db2.gz WKCZGAPLQXINIC-LBPRGKRZSA-N 0 0 406.822 4.058 20 5 HIBDRN CCn1c2ccccc2nc1SCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000026224320 847106263 /nfs/dbraw/zinc/10/62/63/847106263.db2.gz DRWBEMKAERMRQS-UHFFFAOYSA-N 0 0 400.460 4.094 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCc1ccccn1)Cc1ccncc1 ZINC000436406324 861754629 /nfs/dbraw/zinc/75/46/29/861754629.db2.gz CNIOZOXWMFUXMR-UHFFFAOYSA-N 0 0 405.458 4.278 20 5 HIBDRN Cc1ccc(-c2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1 ZINC000026355647 847132489 /nfs/dbraw/zinc/13/24/89/847132489.db2.gz FKUBVCRYCKDMMZ-UHFFFAOYSA-N 0 0 411.487 4.128 20 5 HIBDRN Cc1cccc(-c2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)c1 ZINC000026371217 847135008 /nfs/dbraw/zinc/13/50/08/847135008.db2.gz LTMBMWSRIINYGZ-UHFFFAOYSA-N 0 0 411.487 4.128 20 5 HIBDRN COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc12 ZINC000026661589 847181911 /nfs/dbraw/zinc/18/19/11/847181911.db2.gz KKOGKOCNXIEFBJ-CQSZACIVSA-N 0 0 408.410 4.249 20 5 HIBDRN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc2cccc(Cl)c2s1 ZINC000436412438 861762628 /nfs/dbraw/zinc/76/26/28/861762628.db2.gz RBYXJFLRUDIKJH-UHFFFAOYSA-N 0 0 400.847 4.476 20 5 HIBDRN CCOc1cc(C(=O)Nc2ncc(Cc3ccccc3)s2)c([N+](=O)[O-])cc1OC ZINC000026783507 847196558 /nfs/dbraw/zinc/19/65/58/847196558.db2.gz BYIWOCGDUYDHHT-UHFFFAOYSA-N 0 0 413.455 4.302 20 5 HIBDRN CC(C)c1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C2CC2)cc1 ZINC000026791948 847198250 /nfs/dbraw/zinc/19/82/50/847198250.db2.gz MRCIYEGCZWOFBZ-UHFFFAOYSA-N 0 0 423.513 4.360 20 5 HIBDRN CCOc1cc(C(=O)Nc2nc3c(s2)c(C)ccc3C)c([N+](=O)[O-])cc1OC ZINC000026792318 847198499 /nfs/dbraw/zinc/19/84/99/847198499.db2.gz BQEUFMSZRTUOFR-UHFFFAOYSA-N 0 0 401.444 4.481 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1F ZINC000026800587 847200550 /nfs/dbraw/zinc/20/05/50/847200550.db2.gz UPRHJAOCEORBFR-CQSZACIVSA-N 0 0 401.438 4.224 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000026818278 847203220 /nfs/dbraw/zinc/20/32/20/847203220.db2.gz GZIITIZMPMCHDH-HUUCEWRRSA-N 0 0 413.474 4.347 20 5 HIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000026855957 847207917 /nfs/dbraw/zinc/20/79/17/847207917.db2.gz DDPUCCOMOBIMMQ-UHFFFAOYSA-N 0 0 407.249 4.072 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000026886933 847215918 /nfs/dbraw/zinc/21/59/18/847215918.db2.gz DIBFYBYSVWGVDS-QWHCGFSZSA-N 0 0 402.472 4.436 20 5 HIBDRN CC(C)[C@H](C)N(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000027182278 847264815 /nfs/dbraw/zinc/26/48/15/847264815.db2.gz MLJAEZILDKFKMP-KRWDZBQOSA-N 0 0 406.486 4.493 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1Cl ZINC000027392326 847295234 /nfs/dbraw/zinc/29/52/34/847295234.db2.gz WEYLZBLUUWYOBX-UHFFFAOYSA-N 0 0 404.854 4.024 20 5 HIBDRN O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000027391228 847295412 /nfs/dbraw/zinc/29/54/12/847295412.db2.gz UGZOVLCNURFWGV-UHFFFAOYSA-N 0 0 402.712 4.097 20 5 HIBDRN CC(=O)N1CCN(c2cccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2)CC1 ZINC000436419455 861776761 /nfs/dbraw/zinc/77/67/61/861776761.db2.gz XTYGXFYPDJZSNU-UHFFFAOYSA-N 0 0 420.469 4.135 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000027835645 847356449 /nfs/dbraw/zinc/35/64/49/847356449.db2.gz JJUFEYHYMZWCCP-UHFFFAOYSA-N 0 0 415.789 4.111 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC000027900562 847362017 /nfs/dbraw/zinc/36/20/17/847362017.db2.gz ILDKBBFLWFFPND-IEGUWTFLSA-N 0 0 423.513 4.291 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000028041067 847377907 /nfs/dbraw/zinc/37/79/07/847377907.db2.gz HHQSSVQFWGUJDJ-UHFFFAOYSA-N 0 0 414.405 4.275 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)c2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000028055213 847380913 /nfs/dbraw/zinc/38/09/13/847380913.db2.gz OWEOCXNJOYNNJR-SNVBAGLBSA-N 0 0 420.821 4.198 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2oc3ccccc3c2C)cc1OC ZINC000028174485 847391392 /nfs/dbraw/zinc/39/13/92/847391392.db2.gz WZAXUETWIVVBEH-UHFFFAOYSA-N 0 0 413.382 4.096 20 5 HIBDRN O=C(CSc1nc2ccccc2n1C(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028281590 847401897 /nfs/dbraw/zinc/40/18/97/847401897.db2.gz PHXFJPFICKAHBA-UHFFFAOYSA-N 0 0 404.398 4.021 20 5 HIBDRN COCCCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000028492564 847427822 /nfs/dbraw/zinc/42/78/22/847427822.db2.gz DRMQGHAWOGOOGI-UHFFFAOYSA-N 0 0 403.485 4.122 20 5 HIBDRN C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000028797809 847461785 /nfs/dbraw/zinc/46/17/85/847461785.db2.gz RSZFLVAILSPNEE-ZDUSSCGKSA-N 0 0 409.471 4.172 20 5 HIBDRN C[C@@H](Cc1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)o1)c1ccccc1 ZINC000028806046 847462802 /nfs/dbraw/zinc/46/28/02/847462802.db2.gz HODLWPIPZVWFRO-ZDUSSCGKSA-N 0 0 413.455 4.483 20 5 HIBDRN COc1ccc(OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000028829390 847466002 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0 0 402.410 4.442 20 5 HIBDRN Cc1c(C(=O)Nc2ccccc2N2CCCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000029993162 847666325 /nfs/dbraw/zinc/66/63/25/847666325.db2.gz FDCOCNFXLCHUGH-UHFFFAOYSA-N 0 0 420.473 4.117 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000030316776 847701110 /nfs/dbraw/zinc/70/11/10/847701110.db2.gz VQPQTPYRBRVXNQ-LLVKDONJSA-N 0 0 420.256 4.316 20 5 HIBDRN COc1ccc(CN([C@@H](C)C2CC2)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000030336870 847704142 /nfs/dbraw/zinc/70/41/42/847704142.db2.gz DIKJEHDWYOTMLB-INIZCTEOSA-N 0 0 418.515 4.210 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000030334153 847704486 /nfs/dbraw/zinc/70/44/86/847704486.db2.gz MNHXSXUBCOLMHN-UHFFFAOYSA-N 0 0 414.405 4.275 20 5 HIBDRN CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000030371514 847707405 /nfs/dbraw/zinc/70/74/05/847707405.db2.gz ABMDLQQUSDQPCB-LBPRGKRZSA-N 0 0 420.821 4.279 20 5 HIBDRN CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1 ZINC000030719923 847764743 /nfs/dbraw/zinc/76/47/43/847764743.db2.gz WNLJCFASIXVQKJ-UHFFFAOYSA-N 0 0 421.409 4.008 20 5 HIBDRN COc1ccc2cc(CN(C)C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)ccc2c1 ZINC000031217848 847846677 /nfs/dbraw/zinc/84/66/77/847846677.db2.gz COFCZIYAWRJDEZ-UHFFFAOYSA-N 0 0 416.437 4.215 20 5 HIBDRN O=C(Nc1cccc(COc2cccc(F)c2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000031398267 847874501 /nfs/dbraw/zinc/87/45/01/847874501.db2.gz WTEJNINHKVWVJR-UHFFFAOYSA-N 0 0 424.384 4.336 20 5 HIBDRN O=C(c1ccccc1SCc1ccco1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031414936 847880688 /nfs/dbraw/zinc/88/06/88/847880688.db2.gz PXPHZXJKRJONSM-UHFFFAOYSA-N 0 0 423.494 4.443 20 5 HIBDRN O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000031456729 847889124 /nfs/dbraw/zinc/88/91/24/847889124.db2.gz NZFZKCQBBQGUSQ-UHFFFAOYSA-N 0 0 404.426 4.395 20 5 HIBDRN O=C(Nc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])ccc1I ZINC000031674647 847926372 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NXMNMHWFMVVJDL-GFCCVEGCSA-N 0 0 415.247 4.034 20 5 HIBDRN COC(=O)c1cnc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)s1 ZINC000032494296 848039759 /nfs/dbraw/zinc/03/97/59/848039759.db2.gz QTQGDUGANDEGIP-UHFFFAOYSA-N 0 0 409.489 4.228 20 5 HIBDRN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 ZINC000032672684 848061628 /nfs/dbraw/zinc/06/16/28/848061628.db2.gz NHHYAAHBNKOIBE-UHFFFAOYSA-N 0 0 422.393 4.435 20 5 HIBDRN CNc1ccc(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000032676504 848062462 /nfs/dbraw/zinc/06/24/62/848062462.db2.gz NDQCQJDSDHVQCC-HNNXBMFYSA-N 0 0 406.442 4.102 20 5 HIBDRN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000033224248 848129052 /nfs/dbraw/zinc/12/90/52/848129052.db2.gz LVFNELUOLHDIFI-HNNXBMFYSA-N 0 0 414.874 4.401 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000035079937 848142513 /nfs/dbraw/zinc/14/25/13/848142513.db2.gz DCWXPQPDSJRTDY-YHYXMXQVSA-N 0 0 411.439 4.387 20 5 HIBDRN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1[N+](=O)[O-] ZINC000436613223 861870322 /nfs/dbraw/zinc/87/03/22/861870322.db2.gz SWZOHAYVVCDUMP-LJQANCHMSA-N 0 0 419.437 4.005 20 5 HIBDRN C[C@@H](c1cccs1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000038105500 848177487 /nfs/dbraw/zinc/17/74/87/848177487.db2.gz SDPMFBSWEHMEKK-VIFPVBQESA-N 0 0 416.240 4.094 20 5 HIBDRN CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc2ccccc2s1 ZINC000039515888 848185837 /nfs/dbraw/zinc/18/58/37/848185837.db2.gz VVXQPYXGVNKZAG-UHFFFAOYSA-N 0 0 410.499 4.474 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2nccn2C)cc1 ZINC000042708279 848346375 /nfs/dbraw/zinc/34/63/75/848346375.db2.gz DANHOPFMYLFYCF-AWEZNQCLSA-N 0 0 412.471 4.027 20 5 HIBDRN CCOc1cc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000042737361 848349403 /nfs/dbraw/zinc/34/94/03/848349403.db2.gz YXTUWGBWXUOGRQ-UHFFFAOYSA-N 0 0 414.433 4.461 20 5 HIBDRN C[C@H](Nc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000042854992 848358571 /nfs/dbraw/zinc/35/85/71/848358571.db2.gz HXYUFKGPTXHOLW-ZDUSSCGKSA-N 0 0 410.455 4.348 20 5 HIBDRN C/C=C/c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(OC)c1 ZINC000042918512 848366055 /nfs/dbraw/zinc/36/60/55/848366055.db2.gz UELKYDOXJXPVHY-ONEGZZNKSA-N 0 0 408.357 4.255 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] ZINC000043147625 848391161 /nfs/dbraw/zinc/39/11/61/848391161.db2.gz FICCPUNDCVLUNQ-UHFFFAOYSA-N 0 0 408.380 4.276 20 5 HIBDRN O=C(NCc1cccc(NC(=O)C2CCC2)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342252 848411161 /nfs/dbraw/zinc/41/11/61/848411161.db2.gz RXEVCNDJXSHLBY-UHFFFAOYSA-N 0 0 402.838 4.309 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000043630071 848444646 /nfs/dbraw/zinc/44/46/46/848444646.db2.gz JKIDCSYAUXOCSY-UHFFFAOYSA-N 0 0 400.435 4.445 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1ccccc1C(F)(F)F ZINC000043643411 848445759 /nfs/dbraw/zinc/44/57/59/848445759.db2.gz CCUFQFLYYDTEIV-LBPRGKRZSA-N 0 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ZINC000056312726 850319771 /nfs/dbraw/zinc/31/97/71/850319771.db2.gz CHAVADIXYHLDNG-UHFFFAOYSA-N 0 0 413.455 4.032 20 5 HIBDRN Cc1ccccc1C1(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000056364513 850336172 /nfs/dbraw/zinc/33/61/72/850336172.db2.gz MMMKTVIQHXPYLI-QGZVFWFLSA-N 0 0 414.527 4.248 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000056380046 850341788 /nfs/dbraw/zinc/34/17/88/850341788.db2.gz WQDZQPHBNBQLLJ-UHFFFAOYSA-N 0 0 403.391 4.030 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000056435994 850357812 /nfs/dbraw/zinc/35/78/12/850357812.db2.gz NJWYPTBJBKTLCV-LLVKDONJSA-N 0 0 407.879 4.069 20 5 HIBDRN CCOc1c(Cl)cc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000056453420 850366851 /nfs/dbraw/zinc/36/68/51/850366851.db2.gz DZDPTQXQXXXYRN-LBPRGKRZSA-N 0 0 407.854 4.216 20 5 HIBDRN CC1CCN(C(=O)c2ccc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000056765481 850473283 /nfs/dbraw/zinc/47/32/83/850473283.db2.gz 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ZINC000058978003 850971855 /nfs/dbraw/zinc/97/18/55/850971855.db2.gz BLDDZHUVFKVJNS-UHFFFAOYSA-N 0 0 407.426 4.285 20 5 HIBDRN COCCN(C(=O)CCc1cccs1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000058998635 850976377 /nfs/dbraw/zinc/97/63/77/850976377.db2.gz SVWCOEYKRPCDGM-UHFFFAOYSA-N 0 0 417.512 4.392 20 5 HIBDRN Cc1ccc(S(=O)(=O)c2ccc(COc3ccc([N+](=O)[O-])cc3F)cc2)cc1 ZINC000059011686 850979693 /nfs/dbraw/zinc/97/96/93/850979693.db2.gz LQILMFPYSVQZEZ-UHFFFAOYSA-N 0 0 401.415 4.454 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1F)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000059012129 850980341 /nfs/dbraw/zinc/98/03/41/850980341.db2.gz FNNWDUKCEDFCMZ-OAHLLOKOSA-N 0 0 415.402 4.145 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000059742358 851010068 /nfs/dbraw/zinc/01/00/68/851010068.db2.gz ZKJPRDPITUAQJL-UHFFFAOYSA-N 0 0 401.419 4.189 20 5 HIBDRN CCCNC(=O)c1ccc(Cl)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000059774861 851011822 /nfs/dbraw/zinc/01/18/22/851011822.db2.gz 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Cc1cc(NC(=O)c2cc(F)ccc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000071822732 852412481 /nfs/dbraw/zinc/41/24/81/852412481.db2.gz VOCWJXDFBLIPOC-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000071931447 852434529 /nfs/dbraw/zinc/43/45/29/852434529.db2.gz MZSAJWFVMVBLJM-FQEVSTJZSA-N 0 0 410.401 4.049 20 5 HIBDRN COCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F ZINC000437164482 862357531 /nfs/dbraw/zinc/35/75/31/862357531.db2.gz RNUMORKSBXBOKS-UHFFFAOYSA-N 0 0 402.300 4.030 20 5 HIBDRN O=C(NC1CC1)c1ccc(NCCc2ccc(F)c(Br)c2)c([N+](=O)[O-])c1 ZINC000071969058 852450234 /nfs/dbraw/zinc/45/02/34/852450234.db2.gz DLOAKSIQYBXJJH-UHFFFAOYSA-N 0 0 422.254 4.043 20 5 HIBDRN C[C@H]1Cc2cc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)ccc2N1S(C)(=O)=O ZINC000071971781 852451319 /nfs/dbraw/zinc/45/13/19/852451319.db2.gz GRTDGTJBTZWTQM-LBPRGKRZSA-N 0 0 415.496 4.096 20 5 HIBDRN C[C@@H]1Cc2cc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2N1S(C)(=O)=O ZINC000071971754 852451390 /nfs/dbraw/zinc/45/13/90/852451390.db2.gz VFHPHIBZXHBHAJ-GFCCVEGCSA-N 0 0 415.496 4.096 20 5 HIBDRN O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000071988960 852454349 /nfs/dbraw/zinc/45/43/49/852454349.db2.gz YWMWIUNDIOUCGW-UHFFFAOYSA-N 0 0 400.598 4.462 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000072022606 852469974 /nfs/dbraw/zinc/46/99/74/852469974.db2.gz OISHIQNFAVCPRS-UHFFFAOYSA-N 0 0 420.918 4.205 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)Nc1ccc(Br)cc1 ZINC000072033502 852476847 /nfs/dbraw/zinc/47/68/47/852476847.db2.gz PWPARNUKNSJDFM-UHFFFAOYSA-N 0 0 419.153 4.394 20 5 HIBDRN CC(C)Oc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000072081423 852500463 /nfs/dbraw/zinc/50/04/63/852500463.db2.gz SMSUTQGNIXGHFU-UHFFFAOYSA-N 0 0 412.364 4.096 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c(C)c1[N+](=O)[O-] ZINC000078557173 852519530 /nfs/dbraw/zinc/51/95/30/852519530.db2.gz KMTNAKFFFAGPRD-UHFFFAOYSA-N 0 0 422.420 4.119 20 5 HIBDRN O=C1[C@H](Sc2nnc(NC3CCCCC3)s2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000078768059 852528105 /nfs/dbraw/zinc/52/81/05/852528105.db2.gz UEAHLDXGOOVDLS-OAHLLOKOSA-N 0 0 419.532 4.089 20 5 HIBDRN CCOc1cc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)c([N+](=O)[O-])cc1OCC ZINC000096992187 852569308 /nfs/dbraw/zinc/56/93/08/852569308.db2.gz BJVLRVBRUMHYGM-UHFFFAOYSA-N 0 0 418.494 4.043 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC000097038287 852576438 /nfs/dbraw/zinc/57/64/38/852576438.db2.gz BINLFRMZWRMJKZ-QFIPXVFZSA-N 0 0 416.437 4.389 20 5 HIBDRN CCCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1 ZINC000097542723 852623348 /nfs/dbraw/zinc/62/33/48/852623348.db2.gz HMYWBNDGCXUONM-LJQANCHMSA-N 0 0 404.488 4.050 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1SC ZINC000097548214 852627244 /nfs/dbraw/zinc/62/72/44/852627244.db2.gz OZKXPBJESRGHTK-UHFFFAOYSA-N 0 0 406.891 4.440 20 5 HIBDRN O=C(Nc1ccc(F)c(Br)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000437188767 862380443 /nfs/dbraw/zinc/38/04/43/862380443.db2.gz PQBOPQKKNGDGGK-UHFFFAOYSA-N 0 0 406.167 4.003 20 5 HIBDRN Cc1cc(I)ccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000104707664 852674400 /nfs/dbraw/zinc/67/44/00/852674400.db2.gz MFKFPPLQDRXKQX-WTKPLQERSA-N 0 0 408.195 4.160 20 5 HIBDRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000104797829 852676670 /nfs/dbraw/zinc/67/66/70/852676670.db2.gz JJSDIJBKGMCTBA-LJQANCHMSA-N 0 0 407.401 4.234 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCSc4ccccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000104889554 852680018 /nfs/dbraw/zinc/68/00/18/852680018.db2.gz YNTUGWZZPZZSIM-UHFFFAOYSA-N 0 0 408.483 4.209 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCc2sccc2[C@@H]1c1cccs1 ZINC000105107393 852690605 /nfs/dbraw/zinc/69/06/05/852690605.db2.gz LFAOQLVDMBJTRZ-LJQANCHMSA-N 0 0 400.481 4.271 20 5 HIBDRN CC(C)c1nnc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000105128014 852691578 /nfs/dbraw/zinc/69/15/78/852691578.db2.gz NLOGAIOQPBBXLB-UHFFFAOYSA-N 0 0 403.386 4.029 20 5 HIBDRN COc1ccccc1[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1nccn1C ZINC000105293043 852696936 /nfs/dbraw/zinc/69/69/36/852696936.db2.gz ANUPMAGWXKRADI-KRWDZBQOSA-N 0 0 417.263 4.301 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 ZINC000105409037 852703152 /nfs/dbraw/zinc/70/31/52/852703152.db2.gz ODUSCVOIBXWEMV-AWEZNQCLSA-N 0 0 408.483 4.389 20 5 HIBDRN Cc1cc(NC(=O)CSc2ccc(Cl)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105526857 852710607 /nfs/dbraw/zinc/71/06/07/852710607.db2.gz CYHOIGARIAPNID-UHFFFAOYSA-N 0 0 402.863 4.473 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 ZINC000105743236 852726026 /nfs/dbraw/zinc/72/60/26/852726026.db2.gz GEFVDXHYNZUAAH-UHFFFAOYSA-N 0 0 423.454 4.019 20 5 HIBDRN Cc1cccc(Cn2nccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000105943226 852741124 /nfs/dbraw/zinc/74/11/24/852741124.db2.gz VMWZXKQVAXETPC-UHFFFAOYSA-N 0 0 405.458 4.001 20 5 HIBDRN CC[C@@H]1c2ccsc2CCN1C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000105980226 852743425 /nfs/dbraw/zinc/74/34/25/852743425.db2.gz LWLJSNNONDFPGT-OAHLLOKOSA-N 0 0 406.529 4.434 20 5 HIBDRN Cc1c(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000105985707 852744171 /nfs/dbraw/zinc/74/41/71/852744171.db2.gz YTGHJOHHVGOKPB-NRFANRHFSA-N 0 0 417.469 4.166 20 5 HIBDRN CCN(Cc1cc(Br)ccc1F)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000106016797 852747382 /nfs/dbraw/zinc/74/73/82/852747382.db2.gz GUZOXJGOSFUERR-UHFFFAOYSA-N 0 0 421.226 4.035 20 5 HIBDRN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1C ZINC000106261036 852765929 /nfs/dbraw/zinc/76/59/29/852765929.db2.gz JHDCYZLCSDWJDD-UHFFFAOYSA-N 0 0 406.280 4.126 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)cs1 ZINC000107511329 852773225 /nfs/dbraw/zinc/77/32/25/852773225.db2.gz NYFFEFZMHCOXML-UHFFFAOYSA-N 0 0 423.498 4.381 20 5 HIBDRN COc1ccc(OC(=O)[C@@H](C)Oc2ccc(C)cc2Br)c([N+](=O)[O-])c1 ZINC000107835740 852801789 /nfs/dbraw/zinc/80/17/89/852801789.db2.gz YGPIJNMOWHESLJ-LLVKDONJSA-N 0 0 410.220 4.047 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000437214482 862403731 /nfs/dbraw/zinc/40/37/31/862403731.db2.gz GPUBKDWQOVSGBJ-MRXNPFEDSA-N 0 0 414.767 4.481 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC2)c1 ZINC000108869232 852887982 /nfs/dbraw/zinc/88/79/82/852887982.db2.gz QRCKAMSQDNIKLL-UHFFFAOYSA-N 0 0 420.469 4.081 20 5 HIBDRN CCCCc1nc(-c2ccc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2)no1 ZINC000108964083 852899344 /nfs/dbraw/zinc/89/93/44/852899344.db2.gz KNPYBUXIRGPOEJ-UHFFFAOYSA-N 0 0 411.414 4.433 20 5 HIBDRN Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1F ZINC000108990800 852905402 /nfs/dbraw/zinc/90/54/02/852905402.db2.gz HRPVFUHZHXXPGO-ZDUSSCGKSA-N 0 0 414.462 4.025 20 5 HIBDRN CCN(C[C@@H]1CCOC1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000109135017 852925700 /nfs/dbraw/zinc/92/57/00/852925700.db2.gz UZBQYOYKUFMDSW-HNNXBMFYSA-N 0 0 417.893 4.359 20 5 HIBDRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000109165837 852929806 /nfs/dbraw/zinc/92/98/06/852929806.db2.gz XVENLYJAYMLNFC-QGZVFWFLSA-N 0 0 404.850 4.078 20 5 HIBDRN O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109278053 852946119 /nfs/dbraw/zinc/94/61/19/852946119.db2.gz XPWHMOGCRDLODK-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN CC(=O)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000109334559 852954417 /nfs/dbraw/zinc/95/44/17/852954417.db2.gz NDRYPLJQGTTWRJ-UHFFFAOYSA-N 0 0 410.474 4.066 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1cccc(COc2ccccc2)c1 ZINC000109402504 852965518 /nfs/dbraw/zinc/96/55/18/852965518.db2.gz MFIFDSNNKJECMV-UHFFFAOYSA-N 0 0 410.401 4.008 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2)n[nH]1 ZINC000109598306 852989267 /nfs/dbraw/zinc/98/92/67/852989267.db2.gz JORDLLONTIFRBM-UHFFFAOYSA-N 0 0 420.473 4.177 20 5 HIBDRN CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000109600706 852990369 /nfs/dbraw/zinc/99/03/69/852990369.db2.gz BSEUDWBYJCJILI-GOSISDBHSA-N 0 0 424.501 4.107 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000109667348 852996738 /nfs/dbraw/zinc/99/67/38/852996738.db2.gz AXCIKUKLQLEULJ-UHFFFAOYSA-N 0 0 411.462 4.053 20 5 HIBDRN CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c1 ZINC000437224163 862417156 /nfs/dbraw/zinc/41/71/56/862417156.db2.gz ZQGGTNUYHPAEPH-PKOBYXMFSA-N 0 0 416.499 4.018 20 5 HIBDRN C[C@@H]1CN(c2ccc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc43)cc2F)C[C@H](C)O1 ZINC000109870401 853025588 /nfs/dbraw/zinc/02/55/88/853025588.db2.gz VZGATNITHAPBHQ-BETUJISGSA-N 0 0 412.421 4.081 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000109881412 853027851 /nfs/dbraw/zinc/02/78/51/853027851.db2.gz RBUKKBUYWIRAQD-UHFFFAOYSA-N 0 0 420.400 4.192 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000109887712 853029102 /nfs/dbraw/zinc/02/91/02/853029102.db2.gz QEAAATUQEZVXIA-UHFFFAOYSA-N 0 0 412.877 4.078 20 5 HIBDRN O=C(Nc1nnc(SCc2ccccc2)s1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109889014 853029833 /nfs/dbraw/zinc/02/98/33/853029833.db2.gz GRGKRKCWAZLLRI-UHFFFAOYSA-N 0 0 411.468 4.472 20 5 HIBDRN O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000109918323 853034819 /nfs/dbraw/zinc/03/48/19/853034819.db2.gz ZTYZPWDHSDVIFI-UHFFFAOYSA-N 0 0 413.380 4.089 20 5 HIBDRN CCOc1cc(CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)ccc1OC(F)F ZINC000109921591 853035318 /nfs/dbraw/zinc/03/53/18/853035318.db2.gz MBSZECPRXPTKRE-UHFFFAOYSA-N 0 0 419.384 4.348 20 5 HIBDRN Cc1ccc(NC(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000110005139 853045942 /nfs/dbraw/zinc/04/59/42/853045942.db2.gz UVZQZKVYYDTLIS-OAHLLOKOSA-N 0 0 406.483 4.014 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000110313805 853086362 /nfs/dbraw/zinc/08/63/62/853086362.db2.gz IYJDWUATBMARFT-KRWDZBQOSA-N 0 0 422.268 4.453 20 5 HIBDRN Cn1c2ccccc2nc1-c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000110582352 853121247 /nfs/dbraw/zinc/12/12/47/853121247.db2.gz AKWCBRSHYTZAMF-UHFFFAOYSA-N 0 0 402.410 4.166 20 5 HIBDRN O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000110617888 853127394 /nfs/dbraw/zinc/12/73/94/853127394.db2.gz NNNHBZADRMRRGC-UHFFFAOYSA-N 0 0 412.449 4.437 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000110847951 853156202 /nfs/dbraw/zinc/15/62/02/853156202.db2.gz CMQQFMIBPNSXQM-MRXNPFEDSA-N 0 0 414.405 4.448 20 5 HIBDRN CN(C[C@@H]1CCCO1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000110881973 853162265 /nfs/dbraw/zinc/16/22/65/853162265.db2.gz DPJKNLBPVNJXBN-INIZCTEOSA-N 0 0 403.866 4.111 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(OCc2cn3ccccc3n2)c1 ZINC000111032699 853190077 /nfs/dbraw/zinc/19/00/77/853190077.db2.gz VNYNDSAZBSQKQN-UHFFFAOYSA-N 0 0 402.410 4.003 20 5 HIBDRN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000111121148 853205248 /nfs/dbraw/zinc/20/52/48/853205248.db2.gz WSVOMMKNXDFZPZ-NSHDSACASA-N 0 0 417.878 4.108 20 5 HIBDRN CN(C[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1)C(=O)OC(C)(C)C ZINC000111190995 853219158 /nfs/dbraw/zinc/21/91/58/853219158.db2.gz OUIVOWRNJDIMAW-CYBMUJFWSA-N 0 0 406.508 4.288 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)cc1 ZINC000111227149 853228697 /nfs/dbraw/zinc/22/86/97/853228697.db2.gz AQWWGGUULKYCRT-UHFFFAOYSA-N 0 0 417.874 4.180 20 5 HIBDRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1=O ZINC000115132253 853245858 /nfs/dbraw/zinc/24/58/58/853245858.db2.gz LJGNDRQAUOKYSD-LSDHHAIUSA-N 0 0 411.458 4.109 20 5 HIBDRN CCCCOc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1OC ZINC000115168617 853246805 /nfs/dbraw/zinc/24/68/05/853246805.db2.gz SUZRPVPGMHKJSL-UHFFFAOYSA-N 0 0 410.430 4.425 20 5 HIBDRN COc1ccc(-c2nc(C)c(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000115441824 853251848 /nfs/dbraw/zinc/25/18/48/853251848.db2.gz WHZWHOJHCXMMBY-UHFFFAOYSA-N 0 0 413.455 4.321 20 5 HIBDRN CCCCCn1nc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c2ccccc2c1=O ZINC000115521582 853252754 /nfs/dbraw/zinc/25/27/54/853252754.db2.gz UCZUAUYENIRFSO-UHFFFAOYSA-N 0 0 416.384 4.025 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c1 ZINC000115864042 853269301 /nfs/dbraw/zinc/26/93/01/853269301.db2.gz HVXJTHFJEADJNS-UHFFFAOYSA-N 0 0 403.485 4.069 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000116172944 853288747 /nfs/dbraw/zinc/28/87/47/853288747.db2.gz YMLXFYLFWCQJKC-NRFANRHFSA-N 0 0 406.486 4.370 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000116172946 853288910 /nfs/dbraw/zinc/28/89/10/853288910.db2.gz YMLXFYLFWCQJKC-OAQYLSRUSA-N 0 0 406.486 4.370 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 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ZINC000301863799 854479582 /nfs/dbraw/zinc/47/95/82/854479582.db2.gz GHNNUYXPJCMADD-UHFFFAOYSA-N 0 0 402.454 4.391 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)nc1 ZINC000301868087 854480693 /nfs/dbraw/zinc/48/06/93/854480693.db2.gz IQMNQDMHTOWEBT-GOSISDBHSA-N 0 0 417.469 4.215 20 5 HIBDRN CC(C)(C)Oc1cc(N2CCCN(C(=O)c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000301873108 854481534 /nfs/dbraw/zinc/48/15/34/854481534.db2.gz JHMACMMVJGXKGM-UHFFFAOYSA-N 0 0 415.465 4.264 20 5 HIBDRN CS(=O)(=O)c1cccc(NCc2ccc(Br)cc2Cl)c1[N+](=O)[O-] ZINC000301873162 854481624 /nfs/dbraw/zinc/48/16/24/854481624.db2.gz HUDMRPALAKISGF-UHFFFAOYSA-N 0 0 419.684 4.026 20 5 HIBDRN CCN(Cc1nc2ccccc2c(=O)[nH]1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301876213 854482486 /nfs/dbraw/zinc/48/24/86/854482486.db2.gz MWOXWECXHVZRAM-UHFFFAOYSA-N 0 0 401.426 4.332 20 5 HIBDRN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)n1 ZINC000301875041 854482525 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CC(C)n1cnnc1C1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000301935496 854497662 /nfs/dbraw/zinc/49/76/62/854497662.db2.gz RMHHFGYZMJJGJC-UHFFFAOYSA-N 0 0 419.485 4.382 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000301942140 854500228 /nfs/dbraw/zinc/50/02/28/854500228.db2.gz VIKVWNVBGGSDGK-LLVKDONJSA-N 0 0 423.336 4.472 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccc(C(=O)c3ccc(F)cc3)cc2)s1 ZINC000301985574 854509035 /nfs/dbraw/zinc/50/90/35/854509035.db2.gz JPWRTINSRPQUCE-UHFFFAOYSA-N 0 0 421.427 4.222 20 5 HIBDRN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000301988007 854510584 /nfs/dbraw/zinc/51/05/84/854510584.db2.gz NJZJLDIXIZRAIN-GFCCVEGCSA-N 0 0 414.300 4.098 20 5 HIBDRN Cc1ccc(CNC(=O)C2CCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)cc1 ZINC000301994959 854511927 /nfs/dbraw/zinc/51/19/27/854511927.db2.gz HDBOCSBYVWFMJA-UHFFFAOYSA-N 0 0 418.497 4.293 20 5 HIBDRN Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 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O=[N+]([O-])c1cc(F)ccc1N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000302430305 854570420 /nfs/dbraw/zinc/57/04/20/854570420.db2.gz LBCSJTWMMCFPNX-UHFFFAOYSA-N 0 0 400.328 4.121 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(O)(c3c(F)cccc3F)CC2)c(Br)c1 ZINC000302439980 854571240 /nfs/dbraw/zinc/57/12/40/854571240.db2.gz QIYLHQSGAWUJJZ-UHFFFAOYSA-N 0 0 413.218 4.124 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c(Cl)c1 ZINC000302442616 854571396 /nfs/dbraw/zinc/57/13/96/854571396.db2.gz ROKCMCGRSUERLQ-CQSZACIVSA-N 0 0 416.634 4.123 20 5 HIBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000302449204 854572330 /nfs/dbraw/zinc/57/23/30/854572330.db2.gz RVBPAIGCCZYOFI-IBGZPJMESA-N 0 0 409.467 4.009 20 5 HIBDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCC(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000302483449 854575119 /nfs/dbraw/zinc/57/51/19/854575119.db2.gz YNRABQHMUIBIQN-UHFFFAOYSA-N 0 0 405.838 4.341 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1Oc1ccc2nnc(-c3ccsc3)n2n1 ZINC000302529963 854580001 /nfs/dbraw/zinc/58/00/01/854580001.db2.gz CKLIWQWODSFSAA-UHFFFAOYSA-N 0 0 418.232 4.316 20 5 HIBDRN Cc1cc(NCC2CCN(CC(F)(F)F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302546744 854583384 /nfs/dbraw/zinc/58/33/84/854583384.db2.gz PDQANBFNAUCXDY-UHFFFAOYSA-N 0 0 409.412 4.046 20 5 HIBDRN Cc1cccc2c(Oc3cc([N+](=O)[O-])ccc3I)ncnc12 ZINC000302554985 854584236 /nfs/dbraw/zinc/58/42/36/854584236.db2.gz RNNJKTFNQHZDOJ-UHFFFAOYSA-N 0 0 407.167 4.243 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000302669457 854601931 /nfs/dbraw/zinc/60/19/31/854601931.db2.gz VIKCMXBSFSKXOX-LJQANCHMSA-N 0 0 412.446 4.006 20 5 HIBDRN C[C@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000302701987 854607800 /nfs/dbraw/zinc/60/78/00/854607800.db2.gz XPNJRQHTBVVZPV-AYVTZFPOSA-N 0 0 403.288 4.195 20 5 HIBDRN O=[N+]([O-])c1ccc(Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1C(F)(F)F ZINC000302724571 854612950 /nfs/dbraw/zinc/61/29/50/854612950.db2.gz NZUJQRKFRAWIFL-UHFFFAOYSA-N 0 0 403.364 4.486 20 5 HIBDRN CCOc1cccc2cc([C@H](C)Nc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)oc21 ZINC000302731768 854615306 /nfs/dbraw/zinc/61/53/06/854615306.db2.gz WQGKKWMVZHXVMC-LBPRGKRZSA-N 0 0 404.444 4.316 20 5 HIBDRN CC(C)(CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000302744662 854618639 /nfs/dbraw/zinc/61/86/39/854618639.db2.gz DVQUDVJNQFZWIU-UHFFFAOYSA-N 0 0 422.450 4.468 20 5 HIBDRN COC(=O)c1cnc(Nc2ccc(N3CCc4sccc4C3)cc2)c([N+](=O)[O-])c1 ZINC000302780398 854632525 /nfs/dbraw/zinc/63/25/25/854632525.db2.gz RIYMITVNYATXKR-UHFFFAOYSA-N 0 0 410.455 4.144 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000302812856 854643508 /nfs/dbraw/zinc/64/35/08/854643508.db2.gz HPJODWCGGRVJGY-UHFFFAOYSA-N 0 0 401.894 4.228 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000302819109 854645716 /nfs/dbraw/zinc/64/57/16/854645716.db2.gz UZKFFYCXDKEARC-UHFFFAOYSA-N 0 0 405.241 4.328 20 5 HIBDRN O=[N+]([O-])c1c(F)cccc1N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000302827960 854647403 /nfs/dbraw/zinc/64/74/03/854647403.db2.gz BRSJJTVQOFJJKF-UHFFFAOYSA-N 0 0 400.328 4.121 20 5 HIBDRN Cc1nc2ccccc2c2c(NC(=O)[C@@H](C)OC[C@H]3CCCO3)c3ccccc3n21 ZINC000302951885 854693864 /nfs/dbraw/zinc/69/38/64/854693864.db2.gz APAKIYHBFPRLAC-NVXWUHKLSA-N 0 0 403.482 4.472 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC000302987975 854711217 /nfs/dbraw/zinc/71/12/17/854711217.db2.gz GJOBRURFERUDHD-IBGZPJMESA-N 0 0 405.458 4.158 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCCC[C@H]1c1ccccc1 ZINC000302987528 854711243 /nfs/dbraw/zinc/71/12/43/854711243.db2.gz RDZXNNWJVVNRMZ-IBGZPJMESA-N 0 0 423.469 4.427 20 5 HIBDRN COc1ccc(CC2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000303106635 854762837 /nfs/dbraw/zinc/76/28/37/854762837.db2.gz MVZBHIXFOPLYHI-UHFFFAOYSA-N 0 0 423.513 4.299 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000303128087 854774664 /nfs/dbraw/zinc/77/46/64/854774664.db2.gz JUMDIHRWKMIPQA-JKSUJKDBSA-N 0 0 421.563 4.252 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437333441 862603007 /nfs/dbraw/zinc/60/30/07/862603007.db2.gz NVYUIOOHWJOKHC-VQTJNVASSA-N 0 0 413.433 4.347 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000303136999 854779197 /nfs/dbraw/zinc/77/91/97/854779197.db2.gz JTGGSLXEHRGUGL-KGLIPLIRSA-N 0 0 415.877 4.119 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000303137002 854779614 /nfs/dbraw/zinc/77/96/14/854779614.db2.gz JTGGSLXEHRGUGL-ZIAGYGMSSA-N 0 0 415.877 4.119 20 5 HIBDRN C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1c(Cl)cccc1Cl ZINC000303368538 854895609 /nfs/dbraw/zinc/89/56/09/854895609.db2.gz JEFZXKJLKPSPEK-LLVKDONJSA-N 0 0 420.256 4.016 20 5 HIBDRN O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000303370914 854896760 /nfs/dbraw/zinc/89/67/60/854896760.db2.gz JZXJCCRORBCQHP-UHFFFAOYSA-N 0 0 411.801 4.334 20 5 HIBDRN O=C1[C@@H](Oc2ccc(Cl)cc2Br)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303382475 854902086 /nfs/dbraw/zinc/90/20/86/854902086.db2.gz LXPATUVMFVVVNI-HNNXBMFYSA-N 0 0 411.639 4.195 20 5 HIBDRN CCn1c(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nnc1-c1cccc(C)c1 ZINC000303410682 854914355 /nfs/dbraw/zinc/91/43/55/854914355.db2.gz RCMTVLSKTWXLLI-GOSISDBHSA-N 0 0 423.498 4.079 20 5 HIBDRN CCCCN(Cc1ccccc1Cl)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000303426911 854928068 /nfs/dbraw/zinc/92/80/68/854928068.db2.gz VZLVVGTVYZOQTN-UHFFFAOYSA-N 0 0 413.865 4.271 20 5 HIBDRN O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000303434616 854935282 /nfs/dbraw/zinc/93/52/82/854935282.db2.gz XNVWJBDYLSQTLP-UHFFFAOYSA-N 0 0 406.373 4.213 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000303613309 855077260 /nfs/dbraw/zinc/07/72/60/855077260.db2.gz BZHASDYEVOQEKM-OAHLLOKOSA-N 0 0 415.515 4.471 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCOC[C@@H]3CC(C)C)cc2[N+](=O)[O-])n1 ZINC000303682745 855129446 /nfs/dbraw/zinc/12/94/46/855129446.db2.gz ZHRXSRCHLYLAIK-HNNXBMFYSA-N 0 0 421.544 4.398 20 5 HIBDRN Cc1ccnc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000303695242 855138095 /nfs/dbraw/zinc/13/80/95/855138095.db2.gz NLTNJBRDXZBMCG-UHFFFAOYSA-N 0 0 424.451 4.488 20 5 HIBDRN O=C(NC1(c2nccs2)CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000303715414 855148334 /nfs/dbraw/zinc/14/83/34/855148334.db2.gz QOLTXZAFJYBMDE-UHFFFAOYSA-N 0 0 400.485 4.374 20 5 HIBDRN CCOc1cc(NC(=O)NC2(c3ccccc3F)CC2)c([N+](=O)[O-])cc1OCC ZINC000303767545 855185908 /nfs/dbraw/zinc/18/59/08/855185908.db2.gz IVYHLTWNGXEYQW-UHFFFAOYSA-N 0 0 403.410 4.342 20 5 HIBDRN CC[C@H](c1ccncc1)N(C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000303773413 855189859 /nfs/dbraw/zinc/18/98/59/855189859.db2.gz RDPZGBBCAWYFBQ-MRXNPFEDSA-N 0 0 410.396 4.420 20 5 HIBDRN CC[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccs1 ZINC000303801656 855206429 /nfs/dbraw/zinc/20/64/29/855206429.db2.gz XABHBQQTMIEVHU-NSHDSACASA-N 0 0 402.398 4.140 20 5 HIBDRN O=C(CCc1ccccc1Br)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000303854093 855250122 /nfs/dbraw/zinc/25/01/22/855250122.db2.gz VLEGCPGZHQADJA-UHFFFAOYSA-N 0 0 405.292 4.429 20 5 HIBDRN CCOC(=O)c1ccccc1N(CC)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437366046 862658672 /nfs/dbraw/zinc/65/86/72/862658672.db2.gz VHLUCQJIJWEDPG-UHFFFAOYSA-N 0 0 410.348 4.457 20 5 HIBDRN COc1ccc(Br)cc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000303897187 855275716 /nfs/dbraw/zinc/27/57/16/855275716.db2.gz POLDTMMRHHAINN-UHFFFAOYSA-N 0 0 411.277 4.405 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000437367621 862661815 /nfs/dbraw/zinc/66/18/15/862661815.db2.gz HTHSGSSMLJRVGY-MAUKXSAKSA-N 0 0 417.868 4.276 20 5 HIBDRN COc1ccc(OCCSc2nnc(-c3c[nH]c4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000303927249 855296563 /nfs/dbraw/zinc/29/65/63/855296563.db2.gz PYDOWSYUNYTVQK-UHFFFAOYSA-N 0 0 412.427 4.306 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1Br ZINC000319375302 855385336 /nfs/dbraw/zinc/38/53/36/855385336.db2.gz YVXKDBBUDFMYDU-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1cc(Br)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1Cl ZINC000324497974 855399894 /nfs/dbraw/zinc/39/98/94/855399894.db2.gz KJKJXSSNORYVOI-UHFFFAOYSA-N 0 0 402.607 4.293 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Br)cn1 ZINC000324752777 855400342 /nfs/dbraw/zinc/40/03/42/855400342.db2.gz UHGCTAZPJWXDAB-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1[N+](=O)[O-] ZINC000387513896 855445566 /nfs/dbraw/zinc/44/55/66/855445566.db2.gz OILXLOLOWMUYFR-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000390767353 855456352 /nfs/dbraw/zinc/45/63/52/855456352.db2.gz IVOXCLHEBAPURF-UHFFFAOYSA-N 0 0 400.431 4.125 20 5 HIBDRN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437376092 862682076 /nfs/dbraw/zinc/68/20/76/862682076.db2.gz QVYGANCCQZXFJK-UHFFFAOYSA-N 0 0 408.458 4.027 20 5 HIBDRN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000409465606 855493530 /nfs/dbraw/zinc/49/35/30/855493530.db2.gz OZPHETUUGOIKBQ-UHFFFAOYSA-N 0 0 422.416 4.426 20 5 HIBDRN Cc1cc(N[C@H](Cn2ccccc2=O)c2ccccc2)c2cccc([N+](=O)[O-])c2n1 ZINC000409523498 855522719 /nfs/dbraw/zinc/52/27/19/855522719.db2.gz UEJKAWVTEMGWBT-HXUWFJFHSA-N 0 0 400.438 4.467 20 5 HIBDRN Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(-c2nc3ccccc3[nH]2)c1 ZINC000409615383 855565791 /nfs/dbraw/zinc/56/57/91/855565791.db2.gz JVAZWYZGKODSLD-UHFFFAOYSA-N 0 0 402.410 4.464 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000409823586 855674049 /nfs/dbraw/zinc/67/40/49/855674049.db2.gz RWPKGADSQBBBKM-IUHVXIRESA-N 0 0 410.470 4.298 20 5 HIBDRN O=C(CCSCc1nc(-c2ccc(F)c(F)c2)no1)Nc1ccccc1[N+](=O)[O-] ZINC000409850681 855687039 /nfs/dbraw/zinc/68/70/39/855687039.db2.gz VPYLCHWSRARNSI-UHFFFAOYSA-N 0 0 420.397 4.185 20 5 HIBDRN CC(C)(C)OC(=O)c1cccc(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)c1 ZINC000409859735 855691637 /nfs/dbraw/zinc/69/16/37/855691637.db2.gz DRRHGOXLDBTKRZ-UHFFFAOYSA-N 0 0 423.512 4.246 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)Cc2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000409962522 855747443 /nfs/dbraw/zinc/74/74/43/855747443.db2.gz KZKBYVNIDCFCJJ-UHFFFAOYSA-N 0 0 412.870 4.288 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(Cc1ccccc1)Cc1ccccc1 ZINC000409983679 855761737 /nfs/dbraw/zinc/76/17/37/855761737.db2.gz NBUFRRGETZRRDR-UHFFFAOYSA-N 0 0 414.465 4.189 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000409983801 855761823 /nfs/dbraw/zinc/76/18/23/855761823.db2.gz NRHBBQYDHXXDNL-INIZCTEOSA-N 0 0 408.458 4.330 20 5 HIBDRN COc1ccc(-c2nc(C)c(C(=O)N(C)c3cccc([N+](=O)[O-])c3)s2)c(F)c1 ZINC000409984176 855761843 /nfs/dbraw/zinc/76/18/43/855761843.db2.gz PDOSABMEQCLOJY-UHFFFAOYSA-N 0 0 401.419 4.451 20 5 HIBDRN CC1(C)CC[C@H](NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c2ccccc21 ZINC000409988863 855764827 /nfs/dbraw/zinc/76/48/27/855764827.db2.gz RUEPMIHJZLPDJJ-SFHVURJKSA-N 0 0 423.469 4.212 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2ccc(F)cc2)CCOCC1 ZINC000410003937 855774118 /nfs/dbraw/zinc/77/41/18/855774118.db2.gz VRQYFXLETLONNJ-CQSZACIVSA-N 0 0 404.463 4.037 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000410044573 855796720 /nfs/dbraw/zinc/79/67/20/855796720.db2.gz LGLXEIKPZBRUGH-HSZRJFAPSA-N 0 0 418.449 4.448 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCOc2c(Br)cccc21 ZINC000410054306 855803216 /nfs/dbraw/zinc/80/32/16/855803216.db2.gz ZCQPBBQZUJAEBC-ZDUSSCGKSA-N 0 0 410.199 4.142 20 5 HIBDRN O=C(NCc1ccc(CN2CCc3ccccc32)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000410158260 855843444 /nfs/dbraw/zinc/84/34/44/855843444.db2.gz PEXHLKPSOFWBSB-UHFFFAOYSA-N 0 0 416.481 4.157 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)c1 ZINC000410223293 855868425 /nfs/dbraw/zinc/86/84/25/855868425.db2.gz CONXARZXSISUDW-UHFFFAOYSA-N 0 0 404.463 4.426 20 5 HIBDRN O=C(Nc1ccc(N2CCC2=O)cc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000410245794 855879826 /nfs/dbraw/zinc/87/98/26/855879826.db2.gz DDEFKRVTJYKPAT-UHFFFAOYSA-N 0 0 402.410 4.327 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCOc2c(Br)cccc21 ZINC000410257116 855885231 /nfs/dbraw/zinc/88/52/31/855885231.db2.gz QHPLPDPILDRLBF-HNNXBMFYSA-N 0 0 423.288 4.089 20 5 HIBDRN C[C@H]1CCC[C@@H]1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000410275442 855895937 /nfs/dbraw/zinc/89/59/37/855895937.db2.gz KWGJLWKWNBUDHX-KKSFZXQISA-N 0 0 404.470 4.295 20 5 HIBDRN C[C@@H]1CCC[C@@H]1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000410275440 855895952 /nfs/dbraw/zinc/89/59/52/855895952.db2.gz KWGJLWKWNBUDHX-IERDGZPVSA-N 0 0 404.470 4.295 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000410279649 855899157 /nfs/dbraw/zinc/89/91/57/855899157.db2.gz QVIQBFOSBMBJAS-ZDUSSCGKSA-N 0 0 422.407 4.166 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)cc1OC ZINC000410384782 855964970 /nfs/dbraw/zinc/96/49/70/855964970.db2.gz VZMLSOFSQIYHAV-YUNKPMOVSA-N 0 0 404.850 4.321 20 5 HIBDRN COc1cccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000410390860 855968908 /nfs/dbraw/zinc/96/89/08/855968908.db2.gz SICXFMSBBIFCTN-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000410422491 855990274 /nfs/dbraw/zinc/99/02/74/855990274.db2.gz WGSZHIGKRBTWLM-UHFFFAOYSA-N 0 0 404.728 4.207 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1cc([N+](=O)[O-])ccc1OC ZINC000425977078 856027244 /nfs/dbraw/zinc/02/72/44/856027244.db2.gz JFEPTFXYMJSPAO-UHFFFAOYSA-N 0 0 413.474 4.240 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc2[nH]ccc21 ZINC000425992224 856033815 /nfs/dbraw/zinc/03/38/15/856033815.db2.gz BQXOQWBQVZHPKI-UHFFFAOYSA-N 0 0 416.393 4.177 20 5 HIBDRN C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000425991476 856034722 /nfs/dbraw/zinc/03/47/22/856034722.db2.gz VWGVZUSNYDJDAV-INIZCTEOSA-N 0 0 422.485 4.157 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426004586 856042073 /nfs/dbraw/zinc/04/20/73/856042073.db2.gz PQBBMFSJORFMAD-UGKGYDQZSA-N 0 0 409.486 4.437 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)C/C=C\c1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000426022198 856051899 /nfs/dbraw/zinc/05/18/99/856051899.db2.gz POFONKVUCOCTTB-FUKPKEADSA-N 0 0 414.433 4.336 20 5 HIBDRN C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1cccs1 ZINC000426021991 856051955 /nfs/dbraw/zinc/05/19/55/856051955.db2.gz KPXNPEIQFCQCLI-LLVKDONJSA-N 0 0 401.410 4.353 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000426196789 856170459 /nfs/dbraw/zinc/17/04/59/856170459.db2.gz OUFSQDCAIUAYJK-UHFFFAOYSA-N 0 0 422.894 4.007 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000426204563 856174612 /nfs/dbraw/zinc/17/46/12/856174612.db2.gz QJUSLABKTAOYNB-WMZOPIPTSA-N 0 0 423.391 4.333 20 5 HIBDRN Cc1ccccc1OCCN(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426256778 856206019 /nfs/dbraw/zinc/20/60/19/856206019.db2.gz NFBOCYVLMNZWTR-UHFFFAOYSA-N 0 0 411.380 4.142 20 5 HIBDRN CCOc1ccc2c(c1)CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C2 ZINC000426262034 856207812 /nfs/dbraw/zinc/20/78/12/856207812.db2.gz CFLDLIUFQOHWMW-UHFFFAOYSA-N 0 0 423.391 4.280 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000426264947 856210350 /nfs/dbraw/zinc/21/03/50/856210350.db2.gz FHCSEFATYOMAKO-UHFFFAOYSA-N 0 0 418.375 4.363 20 5 HIBDRN CCS[C@@H]1CCCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426269025 856212386 /nfs/dbraw/zinc/21/23/86/856212386.db2.gz SAXVMYITIXYHCW-OAHLLOKOSA-N 0 0 405.442 4.431 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000426281779 856218658 /nfs/dbraw/zinc/21/86/58/856218658.db2.gz ONXMNMCZPQWLPN-KRWDZBQOSA-N 0 0 415.412 4.247 20 5 HIBDRN CC(C)(c1nc(CC(=O)Nc2ccc(Cl)cc2)no1)c1ccccc1[N+](=O)[O-] ZINC000426433368 856287632 /nfs/dbraw/zinc/28/76/32/856287632.db2.gz OLXGKTBIQHHNIJ-UHFFFAOYSA-N 0 0 400.822 4.138 20 5 HIBDRN Cc1cnc(OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000426543526 856341657 /nfs/dbraw/zinc/34/16/57/856341657.db2.gz JJTXWEDMCGJOFM-OAQYLSRUSA-N 0 0 409.417 4.064 20 5 HIBDRN CC(C)(C)Oc1ccc(-c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)nc1 ZINC000426566279 856352506 /nfs/dbraw/zinc/35/25/06/856352506.db2.gz FSRFOQLGFUMNDS-UHFFFAOYSA-N 0 0 418.837 4.492 20 5 HIBDRN CC[C@H](NC(=O)Cc1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1)c1ccccc1 ZINC000426568247 856353614 /nfs/dbraw/zinc/35/36/14/856353614.db2.gz ZOYOHVUZWWLBOB-KRWDZBQOSA-N 0 0 408.458 4.114 20 5 HIBDRN CC(=O)N(c1nc(COc2ncc(C)cc2[N+](=O)[O-])cs1)c1ccccc1F ZINC000426588262 856361659 /nfs/dbraw/zinc/36/16/59/856361659.db2.gz WIXBNPIKKYOOMO-UHFFFAOYSA-N 0 0 402.407 4.157 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000437419830 862789034 /nfs/dbraw/zinc/78/90/34/862789034.db2.gz RETNFIRTQIGCMV-UHFFFAOYSA-N 0 0 405.838 4.169 20 5 HIBDRN O=C([O-])CC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000426637637 856386974 /nfs/dbraw/zinc/38/69/74/856386974.db2.gz MTIHXTTWYJRURD-UHFFFAOYSA-N 0 0 420.469 4.182 20 5 HIBDRN CC[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)CC(=O)[O-] ZINC000426637678 856387024 /nfs/dbraw/zinc/38/70/24/856387024.db2.gz FZLYJOGNAGQTAU-NSHDSACASA-N 0 0 411.252 4.208 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+]C[C@H](Cc3cccc(C)c3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426638255 856387567 /nfs/dbraw/zinc/38/75/67/856387567.db2.gz ILWOUDJYWLUSKZ-KRWDZBQOSA-N 0 0 424.453 4.205 20 5 HIBDRN C[C@H](CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000426653587 856394790 /nfs/dbraw/zinc/39/47/90/856394790.db2.gz DEDHVJRPCJFHDW-MRXNPFEDSA-N 0 0 408.458 4.038 20 5 HIBDRN O=C([O-])[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Oc1ccc(F)cc1 ZINC000426655287 856395780 /nfs/dbraw/zinc/39/57/80/856395780.db2.gz RDBXXRRRDPLGKH-GOSISDBHSA-N 0 0 416.430 4.084 20 5 HIBDRN Cc1nc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)sc1C(=O)[O-] ZINC000426685005 856411916 /nfs/dbraw/zinc/41/19/16/856411916.db2.gz FDNQUCRCDQGEAH-UHFFFAOYSA-N 0 0 403.485 4.119 20 5 HIBDRN C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C(=O)N3C[C@@H](C)CC[C@H]3C)c([N+](=O)[O-])c2)C1 ZINC000426706380 856423323 /nfs/dbraw/zinc/42/33/23/856423323.db2.gz SINGGKMQKLUNLX-LTIDMASMSA-N 0 0 401.507 4.116 20 5 HIBDRN O=C([O-])[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426722805 856433954 /nfs/dbraw/zinc/43/39/54/856433954.db2.gz IWUMPYULYKUTPB-GOSISDBHSA-N 0 0 400.818 4.294 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000426725126 856437236 /nfs/dbraw/zinc/43/72/36/856437236.db2.gz XZLMBQAJCZQEQZ-QFIPXVFZSA-N 0 0 423.469 4.183 20 5 HIBDRN O=C([O-])[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000426747587 856451613 /nfs/dbraw/zinc/45/16/13/856451613.db2.gz QHNHDNQYEIJOOM-QGZVFWFLSA-N 0 0 400.431 4.248 20 5 HIBDRN C[C@@]1(C(=O)[O-])CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000426750908 856454949 /nfs/dbraw/zinc/45/49/49/856454949.db2.gz RCYRAULJVMEOAC-SJLPKXTDSA-N 0 0 423.263 4.350 20 5 HIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000426772552 856470729 /nfs/dbraw/zinc/47/07/29/856470729.db2.gz KPEXUWBSTWOCIM-SFHVURJKSA-N 0 0 400.431 4.248 20 5 HIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000426791583 856480078 /nfs/dbraw/zinc/48/00/78/856480078.db2.gz FXJCEXBHHASVHI-QFIPXVFZSA-N 0 0 424.428 4.098 20 5 HIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000426811141 856492434 /nfs/dbraw/zinc/49/24/34/856492434.db2.gz LBOGRAKVGPYMEG-AWEZNQCLSA-N 0 0 402.756 4.053 20 5 HIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000426815668 856494383 /nfs/dbraw/zinc/49/43/83/856494383.db2.gz LSKVHMMQXRCZRQ-KRWDZBQOSA-N 0 0 400.431 4.248 20 5 HIBDRN Cn1cc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437431829 862804890 /nfs/dbraw/zinc/80/48/90/862804890.db2.gz SVZAWNQQPIRVCN-JCNLHEQBSA-N 0 0 410.861 4.325 20 5 HIBDRN O=C(NCCCc1ccc(O)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426870321 856520383 /nfs/dbraw/zinc/52/03/83/856520383.db2.gz BNCVPRPHAYYEDV-UHFFFAOYSA-N 0 0 406.438 4.242 20 5 HIBDRN CC(C)C[C@@H](C)n1nccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000426877873 856524368 /nfs/dbraw/zinc/52/43/68/856524368.db2.gz AREHFLXZAXVDTE-GFCCVEGCSA-N 0 0 409.284 4.342 20 5 HIBDRN COc1ccc(NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000437437192 862807988 /nfs/dbraw/zinc/80/79/88/862807988.db2.gz FTTFFYFSPRRUJU-UHFFFAOYSA-N 0 0 415.471 4.215 20 5 HIBDRN O=[N+]([O-])c1cc(CSCc2ccn(-c3ccc(F)cc3)n2)c2c(c1)COCO2 ZINC000437440189 862809361 /nfs/dbraw/zinc/80/93/61/862809361.db2.gz CNTYVKJGUXZPOO-UHFFFAOYSA-N 0 0 401.419 4.220 20 5 HIBDRN COc1cc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)ccc1C(F)(F)F ZINC000426938543 856551971 /nfs/dbraw/zinc/55/19/71/856551971.db2.gz ACIKUSQAFDUFDO-UHFFFAOYSA-N 0 0 421.331 4.188 20 5 HIBDRN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000426955634 856562606 /nfs/dbraw/zinc/56/26/06/856562606.db2.gz KFLVSHSFHMUYDN-JTDSTZFVSA-N 0 0 405.454 4.315 20 5 HIBDRN CC(C)Oc1cc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])ccn1 ZINC000426964089 856565859 /nfs/dbraw/zinc/56/58/59/856565859.db2.gz KDGMXEKDFGTJEQ-UHFFFAOYSA-N 0 0 421.453 4.286 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccco1 ZINC000426969615 856568946 /nfs/dbraw/zinc/56/89/46/856568946.db2.gz WQZZNDKDLTWKPE-QFIPXVFZSA-N 0 0 405.410 4.057 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000437444101 862812159 /nfs/dbraw/zinc/81/21/59/862812159.db2.gz XIADUBGEWKSJLB-CTYIDZIISA-N 0 0 406.891 4.009 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000437448135 862813903 /nfs/dbraw/zinc/81/39/03/862813903.db2.gz GABRXVZRGQKQSM-UHFFFAOYSA-N 0 0 421.428 4.210 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000427111383 856644923 /nfs/dbraw/zinc/64/49/23/856644923.db2.gz ZJRVKCXITKOPIF-UHFFFAOYSA-N 0 0 421.240 4.407 20 5 HIBDRN C[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000427156662 856675869 /nfs/dbraw/zinc/67/58/69/856675869.db2.gz BIFJAGSLMJHALW-HTAPYJJXSA-N 0 0 420.469 4.094 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000427156665 856676036 /nfs/dbraw/zinc/67/60/36/856676036.db2.gz BIFJAGSLMJHALW-VGSWGCGISA-N 0 0 420.469 4.094 20 5 HIBDRN COC(=O)c1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1Br ZINC000427156159 856676243 /nfs/dbraw/zinc/67/62/43/856676243.db2.gz WMQVLXPSKJYHKC-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN O=C(Nc1cccc(Oc2ccccn2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000437470483 862831858 /nfs/dbraw/zinc/83/18/58/862831858.db2.gz UTBMJBJQDBUXGP-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000427231996 856727360 /nfs/dbraw/zinc/72/73/60/856727360.db2.gz OJTJLZLXWXNVLL-AWEZNQCLSA-N 0 0 408.458 4.357 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000437467957 862830131 /nfs/dbraw/zinc/83/01/31/862830131.db2.gz OFIDVKTZDAVVLV-UHFFFAOYSA-N 0 0 419.840 4.297 20 5 HIBDRN COC(=O)c1ncccc1NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000427324944 856771196 /nfs/dbraw/zinc/77/11/96/856771196.db2.gz RAOFYJMSDZYMBP-UHFFFAOYSA-N 0 0 423.450 4.488 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCS[C@H]2COCC[C@@H]21 ZINC000427345380 856783250 /nfs/dbraw/zinc/78/32/50/856783250.db2.gz FFFQDPPDWKCOMS-HKUYNNGSSA-N 0 0 416.524 4.093 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCS[C@@H]2COCC[C@H]21 ZINC000427345381 856783462 /nfs/dbraw/zinc/78/34/62/856783462.db2.gz FFFQDPPDWKCOMS-IEBWSBKVSA-N 0 0 416.524 4.093 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2 ZINC000427353822 856788489 /nfs/dbraw/zinc/78/84/89/856788489.db2.gz CTWLUZGQGMXWOJ-UHFFFAOYSA-N 0 0 423.450 4.032 20 5 HIBDRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000427358529 856791818 /nfs/dbraw/zinc/79/18/18/856791818.db2.gz IPWLXAOEQFZBAR-OKRNOHDPSA-N 0 0 416.499 4.197 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000437476041 862836364 /nfs/dbraw/zinc/83/63/64/862836364.db2.gz NKHYJANORQEEAR-SAZUREKKSA-N 0 0 422.453 4.288 20 5 HIBDRN CC[C@H](C)c1nnc([C@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[nH]1 ZINC000427432335 856817577 /nfs/dbraw/zinc/81/75/77/856817577.db2.gz SRPBCSNKUGVPLX-GJZGRUSLSA-N 0 0 423.473 4.296 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(C3CC3)c(Cc3ccccc3F)s2)n1 ZINC000427446309 856823446 /nfs/dbraw/zinc/82/34/46/856823446.db2.gz LDADZKLBCIAXPT-UHFFFAOYSA-N 0 0 415.450 4.127 20 5 HIBDRN C/C(=C\c1ccccc1)CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000427560273 856866066 /nfs/dbraw/zinc/86/60/66/856866066.db2.gz RWBLQKYTHBLECT-JWIKTPOESA-N 0 0 421.497 4.070 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000427561276 856866672 /nfs/dbraw/zinc/86/66/72/856866672.db2.gz BJHOUMKSEGRNEB-VFNWGFHPSA-N 0 0 414.483 4.172 20 5 HIBDRN Cc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)n1Cc1ccccn1 ZINC000427585727 856878651 /nfs/dbraw/zinc/87/86/51/856878651.db2.gz HODVUSQVKHMJCZ-UHFFFAOYSA-N 0 0 404.470 4.261 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)c2ccc3ccccc3c2)n1 ZINC000427595130 856882112 /nfs/dbraw/zinc/88/21/12/856882112.db2.gz TVDDIGMPQULDGI-NRFANRHFSA-N 0 0 400.438 4.484 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C ZINC000427601338 856884237 /nfs/dbraw/zinc/88/42/37/856884237.db2.gz KOZOKSOQSOGAOX-AWEZNQCLSA-N 0 0 411.458 4.036 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Br)c(O)c1 ZINC000427603538 856885227 /nfs/dbraw/zinc/88/52/27/856885227.db2.gz KPJVOPCUPZVIIE-UHFFFAOYSA-N 0 0 419.153 4.012 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3OC)c(F)c2)n1 ZINC000427603183 856885424 /nfs/dbraw/zinc/88/54/24/856885424.db2.gz UCRVZWYUYALUMD-UHFFFAOYSA-N 0 0 400.366 4.004 20 5 HIBDRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)o1 ZINC000437490214 862848086 /nfs/dbraw/zinc/84/80/86/862848086.db2.gz LSXNBRHQCCVSQB-AUUYWEPGSA-N 0 0 423.473 4.253 20 5 HIBDRN C[C@H](Cc1cccc(O)c1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000427637939 856894289 /nfs/dbraw/zinc/89/42/89/856894289.db2.gz RMYNUKIGLDPLPB-MRXNPFEDSA-N 0 0 405.454 4.274 20 5 HIBDRN CSc1cccc(C(=O)N(C)Cc2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC000427737471 856931512 /nfs/dbraw/zinc/93/15/12/856931512.db2.gz UHYWKTSBAZYJHX-UHFFFAOYSA-N 0 0 413.268 4.491 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000427742570 856934409 /nfs/dbraw/zinc/93/44/09/856934409.db2.gz PVRNWXDYHVRIAR-UHFFFAOYSA-N 0 0 424.375 4.157 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)c1[N+](=O)[O-] ZINC000437496203 862852475 /nfs/dbraw/zinc/85/24/75/862852475.db2.gz PTYJSKFLRDWFAL-UHFFFAOYSA-N 0 0 417.429 4.146 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000437497044 862853647 /nfs/dbraw/zinc/85/36/47/862853647.db2.gz ORMODNAQMLKNIA-MQMHXKEQSA-N 0 0 422.359 4.061 20 5 HIBDRN Cc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1C(=O)N(C)C(C)C ZINC000427774862 856949612 /nfs/dbraw/zinc/94/96/12/856949612.db2.gz BRLHVGBZWHLIFO-UHFFFAOYSA-N 0 0 412.490 4.214 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N(C)Cc2cc(Br)ccc2Cl)c1[N+](=O)[O-] ZINC000427796309 856959282 /nfs/dbraw/zinc/95/92/82/856959282.db2.gz HRMQIQOFUVOORF-UHFFFAOYSA-N 0 0 415.675 4.129 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000427809439 856965163 /nfs/dbraw/zinc/96/51/63/856965163.db2.gz ZKGUVXWWWUHFBA-UHFFFAOYSA-N 0 0 407.300 4.316 20 5 HIBDRN Cc1ccc([C@H](C)NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000427870900 856988021 /nfs/dbraw/zinc/98/80/21/856988021.db2.gz ZDQMHJBQHHKEKN-NSHDSACASA-N 0 0 403.287 4.391 20 5 HIBDRN Cc1nccn1CCCN(C)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000437515191 862862258 /nfs/dbraw/zinc/86/22/58/862862258.db2.gz LNLPNJVXVWLFCE-UHFFFAOYSA-N 0 0 410.499 4.413 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N(Cc1ccc(O)cc1)CC1CC1 ZINC000427872954 856989694 /nfs/dbraw/zinc/98/96/94/856989694.db2.gz DVVMZCOUBBEHPI-UHFFFAOYSA-N 0 0 405.248 4.115 20 5 HIBDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427901416 856999608 /nfs/dbraw/zinc/99/96/08/856999608.db2.gz KRQJXUQFAFXEML-LBPRGKRZSA-N 0 0 401.369 4.020 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1[N+](=O)[O-] ZINC000437509922 862859929 /nfs/dbraw/zinc/85/99/29/862859929.db2.gz XUWKBXYETFDYMO-UHFFFAOYSA-N 0 0 422.268 4.340 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCS[C@@H](C)CC2)cc1 ZINC000427916801 857006150 /nfs/dbraw/zinc/00/61/50/857006150.db2.gz RHUYRSTZGKZFKF-AWEZNQCLSA-N 0 0 402.472 4.363 20 5 HIBDRN CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cs1 ZINC000437512242 862860523 /nfs/dbraw/zinc/86/05/23/862860523.db2.gz DZBANQJGCDFKQC-AWEZNQCLSA-N 0 0 424.954 4.120 20 5 HIBDRN O=C(CCOc1ccccc1-c1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427968922 857027156 /nfs/dbraw/zinc/02/71/56/857027156.db2.gz VKWWKCMUAZINNK-UHFFFAOYSA-N 0 0 418.449 4.452 20 5 HIBDRN CC(=O)c1ccc(Br)cc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000428022038 857045996 /nfs/dbraw/zinc/04/59/96/857045996.db2.gz HIYPBOQQPWCNEX-UHFFFAOYSA-N 0 0 408.204 4.005 20 5 HIBDRN NC(=O)N1CCc2ccc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cc21 ZINC000428031002 857049324 /nfs/dbraw/zinc/04/93/24/857049324.db2.gz JUWMQHNCORSEGH-UHFFFAOYSA-N 0 0 417.425 4.032 20 5 HIBDRN COC(=O)[C@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000428049904 857055921 /nfs/dbraw/zinc/05/59/21/857055921.db2.gz QFKZBBUDRFCVHB-GOSISDBHSA-N 0 0 408.401 4.324 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@H](OCC2CC2)C1 ZINC000428109429 857074315 /nfs/dbraw/zinc/07/43/15/857074315.db2.gz WVEOSFSEWVCLAO-FQEVSTJZSA-N 0 0 409.486 4.238 20 5 HIBDRN COc1cc(Cl)c(Br)cc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000428181915 857100735 /nfs/dbraw/zinc/10/07/35/857100735.db2.gz GKJMSMUDMNAEEX-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN O=C(Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000437535253 862871155 /nfs/dbraw/zinc/87/11/55/862871155.db2.gz GCANVONJWSQKQH-UHFFFAOYSA-N 0 0 403.373 4.438 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CC[C@@](O)(C2CC2)C1 ZINC000428185786 857103495 /nfs/dbraw/zinc/10/34/95/857103495.db2.gz UDSXWACTWFKWJY-FQEVSTJZSA-N 0 0 418.902 4.386 20 5 HIBDRN C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Oc1ccc(Cl)cc1 ZINC000428270256 857135410 /nfs/dbraw/zinc/13/54/10/857135410.db2.gz MEZSHGMTVWUFAE-HNNXBMFYSA-N 0 0 417.893 4.048 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(Br)c2F)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428296521 857146030 /nfs/dbraw/zinc/14/60/30/857146030.db2.gz XLDHZVGERWASRW-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN CC1(C)[C@H](NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@@H]1O ZINC000428304858 857147081 /nfs/dbraw/zinc/14/70/81/857147081.db2.gz XUKVBKNUWGGDQA-CVEARBPZSA-N 0 0 406.891 4.289 20 5 HIBDRN Cc1cnc([C@@H](C)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cn1 ZINC000428480141 857218799 /nfs/dbraw/zinc/21/87/99/857218799.db2.gz BLJCSSCSIKSYNC-QGZVFWFLSA-N 0 0 423.542 4.301 20 5 HIBDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000428501843 857229112 /nfs/dbraw/zinc/22/91/12/857229112.db2.gz YFEBIUUSHYIYBH-MRXNPFEDSA-N 0 0 414.405 4.131 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCC(O)(C(F)F)CC3)cc2[N+](=O)[O-])cc1 ZINC000428642281 857286124 /nfs/dbraw/zinc/28/61/24/857286124.db2.gz GLBWEBOJBXSWIV-UHFFFAOYSA-N 0 0 422.453 4.287 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC[C@H]1O ZINC000428687663 857297454 /nfs/dbraw/zinc/29/74/54/857297454.db2.gz DJSBQYGSEHDKGP-YVEFUNNKSA-N 0 0 406.891 4.242 20 5 HIBDRN Cc1noc(C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 ZINC000428689751 857298765 /nfs/dbraw/zinc/29/87/65/857298765.db2.gz IPRUVJLCYDZJPU-MRXNPFEDSA-N 0 0 401.810 4.045 20 5 HIBDRN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000428699058 857301364 /nfs/dbraw/zinc/30/13/64/857301364.db2.gz GZKMDTVKAQQVFN-UYAOXDASSA-N 0 0 421.856 4.283 20 5 HIBDRN O=C(Nc1ccc2c(c1)C(=O)CCC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000428783448 857336980 /nfs/dbraw/zinc/33/69/80/857336980.db2.gz VWEYEIUTISVJCL-UHFFFAOYSA-N 0 0 409.442 4.189 20 5 HIBDRN CC[C@@H](NC(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000428889618 857392934 /nfs/dbraw/zinc/39/29/34/857392934.db2.gz XCWRWYXNOHGSBA-HRAATJIYSA-N 0 0 412.490 4.261 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000428895424 857397317 /nfs/dbraw/zinc/39/73/17/857397317.db2.gz PHXLNLXANOZARM-PBHICJAKSA-N 0 0 417.437 4.483 20 5 HIBDRN O=C(Nc1cc(-c2cccs2)[nH]n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000429104239 857511162 /nfs/dbraw/zinc/51/11/62/857511162.db2.gz FAYLPAGTMHYWPL-UHFFFAOYSA-N 0 0 420.450 4.878 20 5 HIBDRN C[C@@H]1CC[C@@H](N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000429230740 857565487 /nfs/dbraw/zinc/56/54/87/857565487.db2.gz MHMJCLNIYMKKTQ-CZUORRHYSA-N 0 0 413.440 4.477 20 5 HIBDRN Cc1cc(Br)ccc1NC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429229875 857565689 /nfs/dbraw/zinc/56/56/89/857565689.db2.gz WPEIYROZENMNFS-UHFFFAOYSA-N 0 0 406.280 4.129 20 5 HIBDRN Cc1ccc(NC(=O)CNC(C)(C)c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000429233171 857566399 /nfs/dbraw/zinc/56/63/99/857566399.db2.gz WDPOVXUCUWGLCU-UHFFFAOYSA-N 0 0 406.280 4.129 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCC[C@](CC)(CO)C2)c([N+](=O)[O-])cc1OCCC ZINC000429264504 857582016 /nfs/dbraw/zinc/58/20/16/857582016.db2.gz MUTCXHZKWZPHKA-NRFANRHFSA-N 0 0 423.510 4.189 20 5 HIBDRN Cc1ccc(-c2nc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])n[nH]2)o1 ZINC000429267772 857582538 /nfs/dbraw/zinc/58/25/38/857582538.db2.gz NVMWYLIWJYIFCA-UHFFFAOYSA-N 0 0 419.397 4.113 20 5 HIBDRN O=C(CN(CCc1ccccc1)Cc1cccnc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429288516 857591531 /nfs/dbraw/zinc/59/15/31/857591531.db2.gz WIWLIYVJFADFII-UHFFFAOYSA-N 0 0 424.888 4.327 20 5 HIBDRN O=C(CN(CCc1ccccc1)Cc1cccnc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429309356 857598363 /nfs/dbraw/zinc/59/83/63/857598363.db2.gz MPKWQTZSPATCSD-UHFFFAOYSA-N 0 0 424.888 4.327 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)CCC2=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000429506241 857703866 /nfs/dbraw/zinc/70/38/66/857703866.db2.gz VVFZKFHRWPRSBA-UHFFFAOYSA-N 0 0 409.623 4.392 20 5 HIBDRN O=C(Nc1ccnn1Cc1ccc(F)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000429572649 857758332 /nfs/dbraw/zinc/75/83/32/857758332.db2.gz VMRFHIPDCLKENT-UHFFFAOYSA-N 0 0 409.421 4.175 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000437627919 862951303 /nfs/dbraw/zinc/95/13/03/862951303.db2.gz HSTUSRHLZWUPFJ-KOMQPUFPSA-N 0 0 423.391 4.368 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000437629940 862954245 /nfs/dbraw/zinc/95/42/45/862954245.db2.gz ZUYFIRGARFJWDG-OAQYLSRUSA-N 0 0 413.518 4.317 20 5 HIBDRN CCOc1ccccc1NC(=O)CNc1cc(Br)cc([N+](=O)[O-])c1C ZINC000429806927 857891807 /nfs/dbraw/zinc/89/18/07/857891807.db2.gz UFYCFWRIJIYVPB-UHFFFAOYSA-N 0 0 408.252 4.115 20 5 HIBDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429826344 857899533 /nfs/dbraw/zinc/89/95/33/857899533.db2.gz JSLNSELZGQQDRA-HNNXBMFYSA-N 0 0 421.247 4.167 20 5 HIBDRN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429834632 857902540 /nfs/dbraw/zinc/90/25/40/857902540.db2.gz UUMGVZBOVOJGII-HNNXBMFYSA-N 0 0 421.247 4.167 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n(-c2ccccc2F)n1 ZINC000429851357 857910854 /nfs/dbraw/zinc/91/08/54/857910854.db2.gz QCXGQBZIWKRZFZ-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN CC(C)(C(=O)NCC1(c2cccc(Cl)c2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429892026 857930645 /nfs/dbraw/zinc/93/06/45/857930645.db2.gz UUIBNRYFRIACFJ-UHFFFAOYSA-N 0 0 416.905 4.390 20 5 HIBDRN Cc1cc(Br)cnc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000430082968 858023577 /nfs/dbraw/zinc/02/35/77/858023577.db2.gz GLXULDDCEGETKA-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000430130548 858046042 /nfs/dbraw/zinc/04/60/42/858046042.db2.gz WOGZFZAHAGNNTJ-RWBNYIAVSA-N 0 0 410.470 4.144 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CN(Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000430210740 858083773 /nfs/dbraw/zinc/08/37/73/858083773.db2.gz FFAIHWWNVMJGKC-UHFFFAOYSA-N 0 0 400.435 4.015 20 5 HIBDRN CC1(C)CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C(F)(F)F)O1 ZINC000430222559 858087574 /nfs/dbraw/zinc/08/75/74/858087574.db2.gz WDRXDTMEVGCXNM-AWEZNQCLSA-N 0 0 401.410 4.260 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H](C)[S@](=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000430362926 858134125 /nfs/dbraw/zinc/13/41/25/858134125.db2.gz FUCYBVQXDJQJQF-WQIZZMQYSA-N 0 0 418.540 4.038 20 5 HIBDRN Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000430394279 858143867 /nfs/dbraw/zinc/14/38/67/858143867.db2.gz BEFQKIUCVGPLFL-UHFFFAOYSA-N 0 0 400.456 4.474 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)ccc1[N+](=O)[O-] ZINC000430403434 858146639 /nfs/dbraw/zinc/14/66/39/858146639.db2.gz AIBWBYUNSJDOHI-UHFFFAOYSA-N 0 0 419.437 4.481 20 5 HIBDRN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000430437780 858163284 /nfs/dbraw/zinc/16/32/84/858163284.db2.gz GQXRFHMKKFMJOR-ROUUACIJSA-N 0 0 420.252 4.113 20 5 HIBDRN CSc1ccc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000430449195 858170210 /nfs/dbraw/zinc/17/02/10/858170210.db2.gz QOPYIJYZIXAREA-GOSISDBHSA-N 0 0 400.500 4.181 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)cc1[N+](=O)[O-] ZINC000430458058 858175340 /nfs/dbraw/zinc/17/53/40/858175340.db2.gz GTQQNZWSGYIULY-UHFFFAOYSA-N 0 0 421.244 4.166 20 5 HIBDRN C[C@@H]1CC[C@@H](N(C)C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000430472379 858184951 /nfs/dbraw/zinc/18/49/51/858184951.db2.gz MESSZFUQWUEBCU-NVXWUHKLSA-N 0 0 409.486 4.152 20 5 HIBDRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430488776 858195142 /nfs/dbraw/zinc/19/51/42/858195142.db2.gz ZOVXRTOGGQZTBU-ZDUSSCGKSA-N 0 0 424.682 4.019 20 5 HIBDRN CC(C)(NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000430516560 858205265 /nfs/dbraw/zinc/20/52/65/858205265.db2.gz AAGLPOWDQCLNBR-UHFFFAOYSA-N 0 0 420.347 4.329 20 5 HIBDRN CC(C)(NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430550312 858214980 /nfs/dbraw/zinc/21/49/80/858214980.db2.gz OEHLVZUMOVMRCT-UHFFFAOYSA-N 0 0 424.526 4.472 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000430595977 858231223 /nfs/dbraw/zinc/23/12/23/858231223.db2.gz NHESXTLVPXTZKZ-SNVBAGLBSA-N 0 0 423.267 4.279 20 5 HIBDRN O=C(c1cccc(C(F)(F)F)c1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430612703 858236109 /nfs/dbraw/zinc/23/61/09/858236109.db2.gz TWOKZUNWXMQBDO-UHFFFAOYSA-N 0 0 412.339 4.436 20 5 HIBDRN COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430614605 858237409 /nfs/dbraw/zinc/23/74/09/858237409.db2.gz ZJNBLQISXMVBCL-GFCCVEGCSA-N 0 0 407.264 4.069 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(-c2ccncc2)nc2ccccn21 ZINC000430648306 858246714 /nfs/dbraw/zinc/24/67/14/858246714.db2.gz GLZHHEIBLOIILW-AWEZNQCLSA-N 0 0 419.466 4.424 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1c(F)cc(F)c(F)c1F ZINC000430831149 858322298 /nfs/dbraw/zinc/32/22/98/858322298.db2.gz AELHGLYADCNXTP-UHFFFAOYSA-N 0 0 408.760 4.213 20 5 HIBDRN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000430862214 858342041 /nfs/dbraw/zinc/34/20/41/858342041.db2.gz NYHGZVYGNUOUNM-WMZOPIPTSA-N 0 0 408.376 4.481 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1C(=O)NC(C)C ZINC000430952903 858380505 /nfs/dbraw/zinc/38/05/05/858380505.db2.gz RFNJCBVLKSAEPC-UHFFFAOYSA-N 0 0 420.263 4.056 20 5 HIBDRN COc1cccc(C2=CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000431028841 858409066 /nfs/dbraw/zinc/40/90/66/858409066.db2.gz VCOIYANIQGULHW-UHFFFAOYSA-N 0 0 417.259 4.295 20 5 HIBDRN CCc1cccc2c(CCNC(=O)c3ccc(Br)cc3[N+](=O)[O-])c[nH]c21 ZINC000431029070 858409225 /nfs/dbraw/zinc/40/92/25/858409225.db2.gz XNSAJVUPIXZVNN-UHFFFAOYSA-N 0 0 416.275 4.374 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1noc(Cc2ccccc2)n1 ZINC000431072958 858434488 /nfs/dbraw/zinc/43/44/88/858434488.db2.gz HOOSWTWCWLHWKY-LLVKDONJSA-N 0 0 401.810 4.105 20 5 HIBDRN COc1cc(Br)ccc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000431110406 858450444 /nfs/dbraw/zinc/45/04/44/858450444.db2.gz HJTBXGWOXVDZBJ-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN O=C(c1c(F)cc(Br)cc1F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000431112022 858451304 /nfs/dbraw/zinc/45/13/04/858451304.db2.gz NOFLRUKZIVMDDX-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000431160780 858478386 /nfs/dbraw/zinc/47/83/86/858478386.db2.gz CEYYMLIIBLNUSO-GOEBONIOSA-N 0 0 407.289 4.122 20 5 HIBDRN Cc1ccc(OCCCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000431168149 858483406 /nfs/dbraw/zinc/48/34/06/858483406.db2.gz QBIQFXZFQKSCON-UHFFFAOYSA-N 0 0 407.264 4.255 20 5 HIBDRN Cc1c(NC(=O)CCc2nc(C3CCCC3)no2)cc(Br)cc1[N+](=O)[O-] ZINC000431175535 858487756 /nfs/dbraw/zinc/48/77/56/858487756.db2.gz PHCWGDAFBQMHPC-UHFFFAOYSA-N 0 0 423.267 4.278 20 5 HIBDRN Cc1c(NC(=O)Cc2cccc(OC(F)F)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431176282 858487858 /nfs/dbraw/zinc/48/78/58/858487858.db2.gz TWZZSZYIBGIJPR-UHFFFAOYSA-N 0 0 415.190 4.448 20 5 HIBDRN CCSCc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)no1 ZINC000431178756 858489607 /nfs/dbraw/zinc/48/96/07/858489607.db2.gz KZKZRFGAGZHZPW-UHFFFAOYSA-N 0 0 400.254 4.159 20 5 HIBDRN CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431182636 858492050 /nfs/dbraw/zinc/49/20/50/858492050.db2.gz OZHCHDKJOYXJID-GFCCVEGCSA-N 0 0 421.247 4.274 20 5 HIBDRN COc1ccc(Br)c(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000431186111 858494259 /nfs/dbraw/zinc/49/42/59/858494259.db2.gz DRKVEBZVRFRQAX-UHFFFAOYSA-N 0 0 408.252 4.423 20 5 HIBDRN Cc1c(NC(=O)[C@H]2COc3ccc(Cl)cc32)cc(Br)cc1[N+](=O)[O-] ZINC000431222676 858513933 /nfs/dbraw/zinc/51/39/33/858513933.db2.gz HDKYZMZTRBHEPX-LBPRGKRZSA-N 0 0 411.639 4.434 20 5 HIBDRN Cc1c(NC(=O)c2ccc(Br)cn2)cc(Br)cc1[N+](=O)[O-] ZINC000431223257 858515202 /nfs/dbraw/zinc/51/52/02/858515202.db2.gz IPMRGEOCRYWTJP-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN CCCN1CC(=O)N(Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1=O ZINC000431229699 858518639 /nfs/dbraw/zinc/51/86/39/858518639.db2.gz FUUUVTJXEALRJP-UHFFFAOYSA-N 0 0 421.812 4.354 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000437696163 863032789 /nfs/dbraw/zinc/03/27/89/863032789.db2.gz KHENLSQNLSVCTM-QAPCUYQASA-N 0 0 424.906 4.003 20 5 HIBDRN Cc1c(NC(=O)[C@H](c2ccccc2)n2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000431256357 858534460 /nfs/dbraw/zinc/53/44/60/858534460.db2.gz QBURIEKGVABMQO-KRWDZBQOSA-N 0 0 415.247 4.090 20 5 HIBDRN CO[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000431327906 858567724 /nfs/dbraw/zinc/56/77/24/858567724.db2.gz UGHSLHFTKWGLJD-HNNXBMFYSA-N 0 0 413.655 4.128 20 5 HIBDRN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431472187 858632997 /nfs/dbraw/zinc/63/29/97/858632997.db2.gz NODPKXZDNVLESH-DZGCQCFKSA-N 0 0 403.276 4.451 20 5 HIBDRN C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000431487281 858639693 /nfs/dbraw/zinc/63/96/93/858639693.db2.gz YNCXHARDTAOCLR-GFCCVEGCSA-N 0 0 415.247 4.034 20 5 HIBDRN COc1cc(OC)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Cl ZINC000431492031 858642509 /nfs/dbraw/zinc/64/25/09/858642509.db2.gz AVNQSIZIFKDRPJ-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN CCN(CCOc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000437727971 863058806 /nfs/dbraw/zinc/05/88/06/863058806.db2.gz RCWMCDHKSPGAHH-UHFFFAOYSA-N 0 0 408.252 4.290 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CC[C@H](OCCCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000431668598 858726060 /nfs/dbraw/zinc/72/60/60/858726060.db2.gz ZQERMZAYXJGAKJ-RXVVDRJESA-N 0 0 411.502 4.398 20 5 HIBDRN CN(CCCOc1ccc(F)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431762850 858799929 /nfs/dbraw/zinc/79/99/29/858799929.db2.gz SHPYCYVRHHCFIC-UHFFFAOYSA-N 0 0 411.227 4.038 20 5 HIBDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431770012 858804157 /nfs/dbraw/zinc/80/41/57/858804157.db2.gz JQLPRCJCLDNTKU-UHFFFAOYSA-N 0 0 415.190 4.231 20 5 HIBDRN CC(C)(NC(=O)NCc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000431777279 858806673 /nfs/dbraw/zinc/80/66/73/858806673.db2.gz AQHLZHGYXVCDMH-UHFFFAOYSA-N 0 0 411.380 4.270 20 5 HIBDRN C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000431780818 858808367 /nfs/dbraw/zinc/80/83/67/858808367.db2.gz ZZXUQDOMBSOAAP-HNNXBMFYSA-N 0 0 410.474 4.017 20 5 HIBDRN CCOc1cc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000431792155 858814443 /nfs/dbraw/zinc/81/44/43/858814443.db2.gz BJXYXNIHGWFIRT-UHFFFAOYSA-N 0 0 423.416 4.329 20 5 HIBDRN CCOC(=O)c1ccnc(N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1[N+](=O)[O-] ZINC000431836104 858833658 /nfs/dbraw/zinc/83/36/58/858833658.db2.gz QSGYVRINRZCGLO-JTQLQIEISA-N 0 0 417.809 4.043 20 5 HIBDRN Cc1ccc([C@H](C)N2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] ZINC000431933348 858877143 /nfs/dbraw/zinc/87/71/43/858877143.db2.gz AJJPYLQJSRPJPS-ZBEGNZNMSA-N 0 0 418.247 4.020 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000467541280 881364179 /nfs/dbraw/zinc/36/41/79/881364179.db2.gz DWYKZNJIDJXWBV-UHFFFAOYSA-N 0 0 420.816 4.348 20 5 HIBDRN O=[N+]([O-])c1cccc2c(N[C@@H](CO)c3ccc(Br)c(F)c3)ccnc21 ZINC000432146819 859015590 /nfs/dbraw/zinc/01/55/90/859015590.db2.gz CYVPULDGXUZBBY-HNNXBMFYSA-N 0 0 406.211 4.190 20 5 HIBDRN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000432153897 859018755 /nfs/dbraw/zinc/01/87/55/859018755.db2.gz AXLLJRFLRITWSC-OAHLLOKOSA-N 0 0 412.412 4.495 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c2ncccc12 ZINC000432265479 859075442 /nfs/dbraw/zinc/07/54/42/859075442.db2.gz UELVTMCRYNUVOU-FQEVSTJZSA-N 0 0 409.467 4.059 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000432273896 859079140 /nfs/dbraw/zinc/07/91/40/859079140.db2.gz FIVDSFGADACFAG-NSHDSACASA-N 0 0 420.796 4.493 20 5 HIBDRN Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)ccc1[N+](=O)[O-] ZINC000432290375 859087255 /nfs/dbraw/zinc/08/72/55/859087255.db2.gz WVTKSIVKVMGPHC-CQSZACIVSA-N 0 0 400.378 4.148 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)Cc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000432291934 859088611 /nfs/dbraw/zinc/08/86/11/859088611.db2.gz PGDCFNYVWPJUCW-UHFFFAOYSA-N 0 0 412.870 4.288 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000432295854 859090369 /nfs/dbraw/zinc/09/03/69/859090369.db2.gz CUIJPQSJZPHINJ-CQSZACIVSA-N 0 0 400.378 4.148 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1CC(=O)c1cccs1 ZINC000432297990 859090642 /nfs/dbraw/zinc/09/06/42/859090642.db2.gz UTMPGGAQMMQTPH-DZGCQCFKSA-N 0 0 404.513 4.401 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000432298403 859091059 /nfs/dbraw/zinc/09/10/59/859091059.db2.gz AHRLJYMVUAPUPE-ZDUSSCGKSA-N 0 0 422.812 4.263 20 5 HIBDRN O=[N+]([O-])c1cccc2c(N3CCO[C@H](c4cccc(Br)c4)C3)ccnc21 ZINC000432311604 859098511 /nfs/dbraw/zinc/09/85/11/859098511.db2.gz DNWHFTPJUOUKLO-SFHVURJKSA-N 0 0 414.259 4.483 20 5 HIBDRN COc1ccc(NC(=O)CNc2ccc(C(C)(C)C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000432321990 859102055 /nfs/dbraw/zinc/10/20/55/859102055.db2.gz WYGCFCLSPAWACA-UHFFFAOYSA-N 0 0 411.380 4.494 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000432336048 859107859 /nfs/dbraw/zinc/10/78/59/859107859.db2.gz MDYRTZHSVPONEZ-OAHLLOKOSA-N 0 0 423.448 4.320 20 5 HIBDRN CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1cc(F)ccc1F ZINC000432347571 859113544 /nfs/dbraw/zinc/11/35/44/859113544.db2.gz OWQYHZYRLUUBSH-MRXNPFEDSA-N 0 0 401.369 4.068 20 5 HIBDRN O=C(NCCC1CC(O)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000432474794 859182813 /nfs/dbraw/zinc/18/28/13/859182813.db2.gz FDYZDFJHLWMRLG-UHFFFAOYSA-N 0 0 406.891 4.290 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)c(C)c([N+](=O)[O-])c1 ZINC000432621199 859258945 /nfs/dbraw/zinc/25/89/45/859258945.db2.gz VWYDMDPQVZUQHM-OAQYLSRUSA-N 0 0 415.421 4.024 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000432724289 859320376 /nfs/dbraw/zinc/32/03/76/859320376.db2.gz XUSBSSBVAMXKSQ-CQSZACIVSA-N 0 0 421.734 4.261 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000432724718 859320444 /nfs/dbraw/zinc/32/04/44/859320444.db2.gz HMBFSEAYCYCARH-GHMZBOCLSA-N 0 0 400.229 4.236 20 5 HIBDRN COc1cc(OCC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000432844976 859385582 /nfs/dbraw/zinc/38/55/82/859385582.db2.gz GQPGZEJOAJLHSP-KRWDZBQOSA-N 0 0 406.385 4.014 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432850874 859388480 /nfs/dbraw/zinc/38/84/80/859388480.db2.gz HYSBPFPDAQCZKL-HXUWFJFHSA-N 0 0 412.396 4.426 20 5 HIBDRN CSc1cc2c(cc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])OCCO2 ZINC000432859260 859392490 /nfs/dbraw/zinc/39/24/90/859392490.db2.gz NDBVJGLLQUQKIF-UHFFFAOYSA-N 0 0 403.460 4.145 20 5 HIBDRN CC(C)(C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccc2F)n1 ZINC000432884726 859407632 /nfs/dbraw/zinc/40/76/32/859407632.db2.gz IJZSZSNNLOKVMK-UHFFFAOYSA-N 0 0 413.474 4.494 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1[N+](=O)[O-] ZINC000432898133 859416300 /nfs/dbraw/zinc/41/63/00/859416300.db2.gz HCQJFYVXRXENAU-UHFFFAOYSA-N 0 0 424.482 4.108 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(N3CCC(Nc4cccc(Br)c4)CC3)nc2c1 ZINC000432919613 859430170 /nfs/dbraw/zinc/43/01/70/859430170.db2.gz VFIWEHBKNZIDHL-UHFFFAOYSA-N 0 0 416.279 4.315 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CCC(Nc2cccc(Br)c2)CC1 ZINC000432923904 859432352 /nfs/dbraw/zinc/43/23/52/859432352.db2.gz IXDQWCQOQBMKKP-UHFFFAOYSA-N 0 0 411.687 4.487 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(Nc3cccc(Br)c3)CC2)n1 ZINC000432924427 859434026 /nfs/dbraw/zinc/43/40/26/859434026.db2.gz LLJDZPCUJKOKRJ-UHFFFAOYSA-N 0 0 405.296 4.450 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CC[C@@H](C)[S@@](=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000433040629 859495769 /nfs/dbraw/zinc/49/57/69/859495769.db2.gz RLMNSBCLWOOIOR-JWIGPWBQSA-N 0 0 404.557 4.397 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000433066941 859507642 /nfs/dbraw/zinc/50/76/42/859507642.db2.gz JAIOGKIKPCRMTB-OAQYLSRUSA-N 0 0 420.425 4.467 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CC[C@H]1CCOC1 ZINC000433515734 859747878 /nfs/dbraw/zinc/74/78/78/859747878.db2.gz LSUZLJJXBMSSLG-ZDUSSCGKSA-N 0 0 418.471 4.255 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(F)c1 ZINC000433537107 859762182 /nfs/dbraw/zinc/76/21/82/859762182.db2.gz GJVYHGGFERAEPI-OAHLLOKOSA-N 0 0 415.204 4.075 20 5 HIBDRN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000433574533 859787404 /nfs/dbraw/zinc/78/74/04/859787404.db2.gz OLVTYAFVSTVNNV-KPZWWZAWSA-N 0 0 424.375 4.000 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc2cc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000433633739 859818289 /nfs/dbraw/zinc/81/82/89/859818289.db2.gz MSAYBHHFDVIFJA-SFHVURJKSA-N 0 0 410.430 4.281 20 5 HIBDRN O=C(C[C@@H]1C=CCC1)Nc1ccccc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433697951 859842062 /nfs/dbraw/zinc/84/20/62/859842062.db2.gz SBOPNPKDKOFTHK-IERDGZPVSA-N 0 0 420.469 4.107 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000433719494 859852567 /nfs/dbraw/zinc/85/25/67/859852567.db2.gz PGFXHUXYPKXTEQ-UHFFFAOYSA-N 0 0 402.248 4.143 20 5 HIBDRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000433743902 859870622 /nfs/dbraw/zinc/87/06/22/859870622.db2.gz DKMLSMFIABYIFB-UHFFFAOYSA-N 0 0 410.478 4.485 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)c1[N+](=O)[O-] ZINC000433766901 859883918 /nfs/dbraw/zinc/88/39/18/859883918.db2.gz SFYBCOWYGOZTSH-UHFFFAOYSA-N 0 0 419.485 4.498 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c1[N+](=O)[O-] ZINC000433771089 859885654 /nfs/dbraw/zinc/88/56/54/859885654.db2.gz MLNVJYISIZQVTG-LJAQVGFWSA-N 0 0 418.519 4.275 20 5 HIBDRN Cc1nc(-c2ccccc2NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000433776777 859888173 /nfs/dbraw/zinc/88/81/73/859888173.db2.gz FYYIOSAXGRLUEY-UHFFFAOYSA-N 0 0 423.498 4.381 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CCC(c4c[nH]cn4)CC3)c([N+](=O)[O-])c2)cc1 ZINC000433787811 859893409 /nfs/dbraw/zinc/89/34/09/859893409.db2.gz YIZWEQIZGBNSAR-UHFFFAOYSA-N 0 0 405.458 4.263 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1[N+](=O)[O-] ZINC000433848624 859931844 /nfs/dbraw/zinc/93/18/44/859931844.db2.gz LACFLMZOPQERTA-QGZVFWFLSA-N 0 0 417.469 4.485 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000433973563 860011011 /nfs/dbraw/zinc/01/10/11/860011011.db2.gz XZBWFGATZFUAFA-OAHLLOKOSA-N 0 0 414.531 4.014 20 5 HIBDRN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433988586 860020185 /nfs/dbraw/zinc/02/01/85/860020185.db2.gz SFDSDKSBSYYKND-MRXNPFEDSA-N 0 0 408.462 4.124 20 5 HIBDRN Cc1ccc(Cl)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1C ZINC000434010862 860039055 /nfs/dbraw/zinc/03/90/55/860039055.db2.gz GLKZCSQDTGXMAD-UHFFFAOYSA-N 0 0 417.878 4.397 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000434023805 860046330 /nfs/dbraw/zinc/04/63/30/860046330.db2.gz GNJHLKNCJUIHRE-MRXNPFEDSA-N 0 0 417.259 4.235 20 5 HIBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000434045444 860060281 /nfs/dbraw/zinc/06/02/81/860060281.db2.gz GBWFHJYQGWKYFM-LJQANCHMSA-N 0 0 421.478 4.435 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC(OCC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000434150367 860145812 /nfs/dbraw/zinc/14/58/12/860145812.db2.gz MCBLOKRZZIXZIM-UHFFFAOYSA-N 0 0 422.547 4.034 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(OCC2CCCC2)CC1 ZINC000434155794 860152183 /nfs/dbraw/zinc/15/21/83/860152183.db2.gz YYVSUZQMLOOKRH-UHFFFAOYSA-N 0 0 418.537 4.353 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1C(=O)N(C)C ZINC000434178408 860170822 /nfs/dbraw/zinc/17/08/22/860170822.db2.gz WDJOQFZGZYAUHF-UHFFFAOYSA-N 0 0 424.501 4.094 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000434191967 860179554 /nfs/dbraw/zinc/17/95/54/860179554.db2.gz SKVYUUWCBXYLOA-UHFFFAOYSA-N 0 0 414.466 4.102 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1ccc(Br)cc1C ZINC000434223406 860208182 /nfs/dbraw/zinc/20/81/82/860208182.db2.gz UBPNLJPYPOVWTK-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434231099 860215617 /nfs/dbraw/zinc/21/56/17/860215617.db2.gz KSIBTJWJJGRWMI-AWEZNQCLSA-N 0 0 413.478 4.017 20 5 HIBDRN COc1cc(NCCCc2nnc(SC)n2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000467719461 881517170 /nfs/dbraw/zinc/51/71/70/881517170.db2.gz BDCDGRYEHVJCSV-UHFFFAOYSA-N 0 0 409.487 4.216 20 5 HIBDRN Cc1ccc(-c2[nH]nc(NC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)c2C)o1 ZINC000434432690 860348476 /nfs/dbraw/zinc/34/84/76/860348476.db2.gz LOVOEVGWVVOKOA-CYBMUJFWSA-N 0 0 423.473 4.683 20 5 HIBDRN CCCNc1ccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000434459785 860359958 /nfs/dbraw/zinc/35/99/58/860359958.db2.gz ORSYRSZSLGJNMQ-UHFFFAOYSA-N 0 0 412.490 4.170 20 5 HIBDRN CCOc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000467733180 881535044 /nfs/dbraw/zinc/53/50/44/881535044.db2.gz UPWZITJKRYKEKT-KRWDZBQOSA-N 0 0 422.503 4.068 20 5 HIBDRN C[C@@]1(CCc2ccccc2)CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000434588060 860414764 /nfs/dbraw/zinc/41/47/64/860414764.db2.gz SRZOGQUGUPCZCJ-HSZRJFAPSA-N 0 0 405.454 4.334 20 5 HIBDRN C[C@@H](CO)NC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccc([N+](=O)[O-])c1 ZINC000434648666 860445566 /nfs/dbraw/zinc/44/55/66/860445566.db2.gz MYPYROKIUHAWMV-ZKMNFCBKSA-N 0 0 417.465 4.131 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCO[C@@H](c4ccc(Br)cc4)C3)nc2c1 ZINC000434837137 860514127 /nfs/dbraw/zinc/51/41/27/860514127.db2.gz RUXVBWGPZXXLIU-QGZVFWFLSA-N 0 0 418.247 4.072 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(CSCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000434935498 860562485 /nfs/dbraw/zinc/56/24/85/860562485.db2.gz UQIFAFGMMMQKJL-UHFFFAOYSA-N 0 0 402.472 4.082 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)cc1[N+](=O)[O-] ZINC000435270810 860710847 /nfs/dbraw/zinc/71/08/47/860710847.db2.gz UDTGICYGBGAMEL-LBPRGKRZSA-N 0 0 404.854 4.141 20 5 HIBDRN COCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@@H]1CC[C@@H](C)C1 ZINC000435322294 860734228 /nfs/dbraw/zinc/73/42/28/860734228.db2.gz BOFLPDCOQREWDW-BXUZGUMPSA-N 0 0 414.300 4.335 20 5 HIBDRN Cc1c(NC(=O)N(C)C2Cc3ccccc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000435323677 860734776 /nfs/dbraw/zinc/73/47/76/860734776.db2.gz OLKFYFNAJVCSLU-UHFFFAOYSA-N 0 0 404.264 4.297 20 5 HIBDRN CS[C@@H]1CCCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435329442 860740641 /nfs/dbraw/zinc/74/06/41/860740641.db2.gz PIXXPFKEXRIECU-GFCCVEGCSA-N 0 0 402.314 4.415 20 5 HIBDRN COCCOc1cccc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000435330421 860741466 /nfs/dbraw/zinc/74/14/66/860741466.db2.gz SPYXCPRGTZHJIU-UHFFFAOYSA-N 0 0 424.251 4.335 20 5 HIBDRN Cc1c(NC(=O)N[C@H](C)[C@H]2COc3ccccc32)cc(Br)cc1[N+](=O)[O-] ZINC000435331293 860742424 /nfs/dbraw/zinc/74/24/24/860742424.db2.gz ZYQBIARXFJCGQH-BXUZGUMPSA-N 0 0 420.263 4.352 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCc3c2cccc3O)cc(Br)cc1[N+](=O)[O-] ZINC000435333355 860744074 /nfs/dbraw/zinc/74/40/74/860744074.db2.gz PEEHGOIGKGHDOH-CYBMUJFWSA-N 0 0 406.236 4.180 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccccc3F)c2C)cc1SC ZINC000435344248 860750668 /nfs/dbraw/zinc/75/06/68/860750668.db2.gz TVBCXDMKXBYMSC-UHFFFAOYSA-N 0 0 416.434 4.211 20 5 HIBDRN O=C(NCCc1cc(Cl)ccc1Br)c1ccc(F)cc1[N+](=O)[O-] ZINC000435345954 860750873 /nfs/dbraw/zinc/75/08/73/860750873.db2.gz MVJNUFPIXAOHIK-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000467759414 881576580 /nfs/dbraw/zinc/57/65/80/881576580.db2.gz SKWIUPMNLVPNRA-GASCZTMLSA-N 0 0 404.875 4.403 20 5 HIBDRN Cc1c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000435369595 860767202 /nfs/dbraw/zinc/76/72/02/860767202.db2.gz FLFWPMFPRBBLHJ-UHFFFAOYSA-N 0 0 418.812 4.289 20 5 HIBDRN Cc1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000435370800 860768003 /nfs/dbraw/zinc/76/80/03/860768003.db2.gz KCYXSRHNXUCFIC-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000435381409 860776928 /nfs/dbraw/zinc/77/69/28/860776928.db2.gz WFRBDLYSGZTALZ-LBPRGKRZSA-N 0 0 418.812 4.287 20 5 HIBDRN COc1ccc(CNC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000435386298 860780713 /nfs/dbraw/zinc/78/07/13/860780713.db2.gz UCSIKLLQNRANQL-UHFFFAOYSA-N 0 0 401.850 4.256 20 5 HIBDRN CCOC(=O)[C@H](C)CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467760735 881579697 /nfs/dbraw/zinc/57/96/97/881579697.db2.gz ULIDMTQZKPNDNG-GFCCVEGCSA-N 0 0 422.890 4.328 20 5 HIBDRN CC(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435438427 860799213 /nfs/dbraw/zinc/79/92/13/860799213.db2.gz PUBPTCOAEGRURK-ZDUSSCGKSA-N 0 0 405.501 4.005 20 5 HIBDRN NC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)s1 ZINC000435444360 860800658 /nfs/dbraw/zinc/80/06/58/860800658.db2.gz WLGWPPQKPOYQLI-UHFFFAOYSA-N 0 0 405.482 4.220 20 5 HIBDRN CN(CC(C)(C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435481828 860814891 /nfs/dbraw/zinc/81/48/91/860814891.db2.gz TZDKXSJFHJSTIO-UHFFFAOYSA-N 0 0 407.517 4.251 20 5 HIBDRN COc1cccc(C(=O)NCC(C)(C)c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000435555140 860874727 /nfs/dbraw/zinc/87/47/27/860874727.db2.gz DBKDZOIYTYUXIH-UHFFFAOYSA-N 0 0 407.264 4.074 20 5 HIBDRN CCCCOc1ccc([C@H](C)NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1OC ZINC000435560611 860881625 /nfs/dbraw/zinc/88/16/25/860881625.db2.gz NTHHVGDMIIYNQN-AWEZNQCLSA-N 0 0 402.447 4.282 20 5 HIBDRN COc1cccc(C(=O)N2CCCc3cc(Br)cc(F)c32)c1[N+](=O)[O-] ZINC000435736006 861018628 /nfs/dbraw/zinc/01/86/28/861018628.db2.gz SICNMLJTEPIRQR-UHFFFAOYSA-N 0 0 409.211 4.098 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CSCc1ccc(I)c(Cl)c1 ZINC000435788720 861061628 /nfs/dbraw/zinc/06/16/28/861061628.db2.gz VDKIGHAZKALEHW-UHFFFAOYSA-N 0 0 423.663 4.020 20 5 HIBDRN O=C(C1CCC(C(F)(F)F)CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000435815319 861079946 /nfs/dbraw/zinc/07/99/46/861079946.db2.gz CECMRUUJYQSAEZ-UHFFFAOYSA-N 0 0 400.397 4.333 20 5 HIBDRN CC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435823523 861087953 /nfs/dbraw/zinc/08/79/53/861087953.db2.gz DMQGEIPXTPITJP-JSGCOSHPSA-N 0 0 419.528 4.441 20 5 HIBDRN Cc1ccccc1N1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000435825900 861089656 /nfs/dbraw/zinc/08/96/56/861089656.db2.gz JIEVDDJPOBILGJ-UHFFFAOYSA-N 0 0 415.468 4.091 20 5 HIBDRN COc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc(OC)c1 ZINC000435830639 861093014 /nfs/dbraw/zinc/09/30/14/861093014.db2.gz ICJBYCZUMOADHH-UHFFFAOYSA-N 0 0 410.376 4.229 20 5 HIBDRN COc1cccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000435870939 861131638 /nfs/dbraw/zinc/13/16/38/861131638.db2.gz QGRDVMNBGHDWLQ-MRXNPFEDSA-N 0 0 408.414 4.021 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(COc2ccc3c(c2)CC(=O)N3C)cc1OC ZINC000435882962 861141105 /nfs/dbraw/zinc/14/11/05/861141105.db2.gz WPJYJADEEKYURK-CQSZACIVSA-N 0 0 414.458 4.126 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)c1ccc(C(F)(F)F)cc1Cl ZINC000435904547 861163779 /nfs/dbraw/zinc/16/37/79/861163779.db2.gz XCQOTNDRXQQRBR-UHFFFAOYSA-N 0 0 408.785 4.401 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000435911535 861172869 /nfs/dbraw/zinc/17/28/69/861172869.db2.gz NDFZFSAUMFMVNY-UHFFFAOYSA-N 0 0 401.316 4.034 20 5 HIBDRN CC(=O)Nc1cccc([C@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000435921448 861180578 /nfs/dbraw/zinc/18/05/78/861180578.db2.gz DZYAEFKFTAMAPL-ZDUSSCGKSA-N 0 0 417.440 4.270 20 5 HIBDRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000467797468 881621439 /nfs/dbraw/zinc/62/14/39/881621439.db2.gz JPSBQNFAACIXIG-ZDUSSCGKSA-N 0 0 417.874 4.350 20 5 HIBDRN CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000467800032 881623590 /nfs/dbraw/zinc/62/35/90/881623590.db2.gz VQLNVQOWXQTFBP-GOEBONIOSA-N 0 0 408.907 4.453 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000437781349 863099817 /nfs/dbraw/zinc/09/98/17/863099817.db2.gz ZIJVOEADOOHMAE-JCNLHEQBSA-N 0 0 407.392 4.402 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000437807186 863128721 /nfs/dbraw/zinc/12/87/21/863128721.db2.gz YYQRPTSBYOEJNE-WQVCFCJDSA-N 0 0 405.401 4.421 20 5 HIBDRN CCOc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000437895788 863265038 /nfs/dbraw/zinc/26/50/38/863265038.db2.gz NIMSLSNAQMIVKS-UHFFFAOYSA-N 0 0 403.410 4.208 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000437913022 863289239 /nfs/dbraw/zinc/28/92/39/863289239.db2.gz SWEVZDJPHICOMQ-UHFFFAOYSA-N 0 0 421.251 4.012 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000437922886 863299694 /nfs/dbraw/zinc/29/96/94/863299694.db2.gz VNEFSNHXDIWNNW-UHFFFAOYSA-N 0 0 421.251 4.012 20 5 HIBDRN CC(C)C(=O)Nc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437926690 863302561 /nfs/dbraw/zinc/30/25/61/863302561.db2.gz ARDMEGBWAGBWHM-UHFFFAOYSA-N 0 0 410.474 4.064 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000437936191 863312353 /nfs/dbraw/zinc/31/23/53/863312353.db2.gz UMTHEUOFTCTZQP-VQTJNVASSA-N 0 0 415.877 4.357 20 5 HIBDRN O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000437943141 863318979 /nfs/dbraw/zinc/31/89/79/863318979.db2.gz SJIOLDAGLQANCU-ZDUSSCGKSA-N 0 0 414.302 4.387 20 5 HIBDRN COc1ccc(CN2CCC[C@H]2c2ncc[nH]2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000437982351 863348370 /nfs/dbraw/zinc/34/83/70/863348370.db2.gz YVKJEXNFWDYMAC-IBGZPJMESA-N 0 0 408.458 4.243 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1-n1cccn1 ZINC000437986863 863351788 /nfs/dbraw/zinc/35/17/88/863351788.db2.gz NCYGERQOINSJMQ-MRXNPFEDSA-N 0 0 405.458 4.216 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1noc(Cc2ccccc2)n1 ZINC000437991725 863354549 /nfs/dbraw/zinc/35/45/49/863354549.db2.gz HZXFMUMBXAGQPV-OAHLLOKOSA-N 0 0 421.457 4.004 20 5 HIBDRN O=C(NCc1cc(F)ccc1Br)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438007329 863367503 /nfs/dbraw/zinc/36/75/03/863367503.db2.gz QAMVTDBNLZYFRA-UHFFFAOYSA-N 0 0 422.254 4.371 20 5 HIBDRN CSc1ccc(CCNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000438017199 863375856 /nfs/dbraw/zinc/37/58/56/863375856.db2.gz WLSXPMKLTNWZGR-UHFFFAOYSA-N 0 0 415.515 4.112 20 5 HIBDRN CC(C)(CO)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000438179890 863604815 /nfs/dbraw/zinc/60/48/15/863604815.db2.gz QRIUMEROKKSHDE-KRWDZBQOSA-N 0 0 410.392 4.146 20 5 HIBDRN O=C(Nc1cc(CSCCO)ccn1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000438361015 863824488 /nfs/dbraw/zinc/82/44/88/863824488.db2.gz WTDROHGQMPGSIP-UHFFFAOYSA-N 0 0 424.482 4.211 20 5 HIBDRN COc1cc(C(=O)N2CCCCC(C)(C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000438390008 863842367 /nfs/dbraw/zinc/84/23/67/863842367.db2.gz UXMSKFNEVOBLDS-UHFFFAOYSA-N 0 0 419.503 4.291 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(F)cccc2Br)cc1OC ZINC000438434369 863863780 /nfs/dbraw/zinc/86/37/80/863863780.db2.gz JZWXFMRMRLULBH-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000438448170 863873882 /nfs/dbraw/zinc/87/38/82/863873882.db2.gz ZBCJZURGERLXAP-RZDIXWSQSA-N 0 0 401.413 4.493 20 5 HIBDRN CCOc1cc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000438471241 863890965 /nfs/dbraw/zinc/89/09/65/863890965.db2.gz KXSQKEZKXMRVLR-NEPJUHHUSA-N 0 0 404.385 4.101 20 5 HIBDRN Cc1cc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1C(F)(F)F ZINC000438521187 863946698 /nfs/dbraw/zinc/94/66/98/863946698.db2.gz BHNWHYKNQBRYPH-UHFFFAOYSA-N 0 0 408.380 4.276 20 5 HIBDRN COC(=O)c1ccc(-c2nc(CN3CCc4ccc([N+](=O)[O-])cc4C3)cs2)cc1 ZINC000438519768 863946741 /nfs/dbraw/zinc/94/67/41/863946741.db2.gz SUXJABGDIVETDY-UHFFFAOYSA-N 0 0 409.467 4.063 20 5 HIBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC[C@H]1O ZINC000438530758 863956222 /nfs/dbraw/zinc/95/62/22/863956222.db2.gz LWRHFVHXPWNBQQ-LJQANCHMSA-N 0 0 417.893 4.093 20 5 HIBDRN COc1cnccc1[C@H](C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000438614213 864039239 /nfs/dbraw/zinc/03/92/39/864039239.db2.gz ONZAGIDMGGJUTQ-LSDHHAIUSA-N 0 0 421.457 4.058 20 5 HIBDRN Cc1ccc(C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000438640962 864075642 /nfs/dbraw/zinc/07/56/42/864075642.db2.gz JWRQSYNOKOEJKK-OAHLLOKOSA-N 0 0 405.248 4.262 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCc4ncsc4C3)cc2[N+](=O)[O-])n1 ZINC000438687818 864154557 /nfs/dbraw/zinc/15/45/57/864154557.db2.gz ODVYGJXGNCQCFQ-UHFFFAOYSA-N 0 0 418.525 4.166 20 5 HIBDRN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)C1 ZINC000438723996 864207699 /nfs/dbraw/zinc/20/76/99/864207699.db2.gz PONRCNMSXSSRFF-QRWLVFNGSA-N 0 0 411.458 4.267 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000467887612 881747977 /nfs/dbraw/zinc/74/79/77/881747977.db2.gz RGCYYOQWILNOCD-UHFFFAOYSA-N 0 0 402.813 4.226 20 5 HIBDRN C[C@H]1Sc2ccccc2N(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@@H]1C ZINC000438822587 864316082 /nfs/dbraw/zinc/31/60/82/864316082.db2.gz WBIBYUQTVMPEMK-CHWSQXEVSA-N 0 0 415.496 4.221 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] ZINC000438897174 864378764 /nfs/dbraw/zinc/37/87/64/864378764.db2.gz PLVAKTPKHAALGV-UHFFFAOYSA-N 0 0 421.428 4.154 20 5 HIBDRN COc1cc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)ccc1OCC(C)C ZINC000438898649 864380371 /nfs/dbraw/zinc/38/03/71/864380371.db2.gz AJTXOQVYGDADQK-INIZCTEOSA-N 0 0 400.475 4.367 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)ccc1OCC(C)C ZINC000438898651 864381518 /nfs/dbraw/zinc/38/15/18/864381518.db2.gz AJTXOQVYGDADQK-MRXNPFEDSA-N 0 0 400.475 4.367 20 5 HIBDRN COC(=O)[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)c1ccccc1C ZINC000438899818 864381600 /nfs/dbraw/zinc/38/16/00/864381600.db2.gz ZXGCVNNUYXXWJW-FQEVSTJZSA-N 0 0 404.491 4.402 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000438901154 864383042 /nfs/dbraw/zinc/38/30/42/864383042.db2.gz OLOGWIMYIVIAHQ-UHFFFAOYSA-N 0 0 421.453 4.348 20 5 HIBDRN Cc1c(CC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cccc1[N+](=O)[O-] ZINC000438904818 864384984 /nfs/dbraw/zinc/38/49/84/864384984.db2.gz VEAIKTMCTHNXMC-UHFFFAOYSA-N 0 0 421.428 4.154 20 5 HIBDRN CCNC(=O)c1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nc2ccccc21 ZINC000438941055 864416159 /nfs/dbraw/zinc/41/61/59/864416159.db2.gz YYVGWGLKHQWSRW-UHFFFAOYSA-N 0 0 412.833 4.107 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000438971616 864437415 /nfs/dbraw/zinc/43/74/15/864437415.db2.gz VGQMQOZIXYNPHK-ZDUSSCGKSA-N 0 0 402.447 4.235 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(CN(C)Cc3cscn3)c2)cccc1[N+](=O)[O-] ZINC000438994319 864453844 /nfs/dbraw/zinc/45/38/44/864453844.db2.gz YLDQBIOGBGIAKB-UHFFFAOYSA-N 0 0 410.499 4.173 20 5 HIBDRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439083357 864530774 /nfs/dbraw/zinc/53/07/74/864530774.db2.gz CDMNXJAFVWBLBA-HRAATJIYSA-N 0 0 411.506 4.063 20 5 HIBDRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439083360 864531824 /nfs/dbraw/zinc/53/18/24/864531824.db2.gz CDMNXJAFVWBLBA-KKSFZXQISA-N 0 0 411.506 4.063 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000439105836 864543284 /nfs/dbraw/zinc/54/32/84/864543284.db2.gz GIUFBXCYGNBHGM-UHFFFAOYSA-N 0 0 408.376 4.175 20 5 HIBDRN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439106916 864544979 /nfs/dbraw/zinc/54/49/79/864544979.db2.gz JUXPIPHUKGMORO-UHFFFAOYSA-N 0 0 401.810 4.038 20 5 HIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)Cc4cccc([N+](=O)[O-])c4C)CC3)c2c1 ZINC000439121724 864557121 /nfs/dbraw/zinc/55/71/21/864557121.db2.gz GTHNLATZMIKWPJ-UHFFFAOYSA-N 0 0 407.470 4.342 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000439122770 864558729 /nfs/dbraw/zinc/55/87/29/864558729.db2.gz JEEVSDITIVAIMI-UHFFFAOYSA-N 0 0 411.849 4.404 20 5 HIBDRN COc1ccc([C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)c2ccc(F)cc2)cc1 ZINC000439124182 864559631 /nfs/dbraw/zinc/55/96/31/864559631.db2.gz OLVXMZOPFJSJAQ-HSZRJFAPSA-N 0 0 408.429 4.499 20 5 HIBDRN Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000439138151 864570782 /nfs/dbraw/zinc/57/07/82/864570782.db2.gz CFLMWSHGLHKGMS-UHFFFAOYSA-N 0 0 400.378 4.064 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000439140254 864572829 /nfs/dbraw/zinc/57/28/29/864572829.db2.gz HMXBFCXYEVMOCX-KBPBESRZSA-N 0 0 418.519 4.036 20 5 HIBDRN Cc1c(CC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cccc1[N+](=O)[O-] ZINC000439178720 864607597 /nfs/dbraw/zinc/60/75/97/864607597.db2.gz MLLOCMRVVVJJRC-ZDUSSCGKSA-N 0 0 413.421 4.327 20 5 HIBDRN Cc1ccc(F)cc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000439228264 864644877 /nfs/dbraw/zinc/64/48/77/864644877.db2.gz GBNBREGIZDKXKY-UHFFFAOYSA-N 0 0 400.431 4.438 20 5 HIBDRN CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000439244178 864661449 /nfs/dbraw/zinc/66/14/49/864661449.db2.gz GOYICZPYUMXSRH-UHFFFAOYSA-N 0 0 417.256 4.020 20 5 HIBDRN CC[C@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1cccs1 ZINC000439251692 864668917 /nfs/dbraw/zinc/66/89/17/864668917.db2.gz XBTCJIDOTVHCCA-LBPRGKRZSA-N 0 0 419.322 4.157 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCCO[C@H](CC)C2)c([N+](=O)[O-])cc1OCCC ZINC000439330841 864768519 /nfs/dbraw/zinc/76/85/19/864768519.db2.gz RIGDHBYRYRYBKH-OAHLLOKOSA-N 0 0 409.483 4.205 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1c2ccccc2C[C@H]1O ZINC000467925027 881800242 /nfs/dbraw/zinc/80/02/42/881800242.db2.gz UEIWMUSVDIMQQK-RTWAWAEBSA-N 0 0 405.410 4.167 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C ZINC000439376266 864808877 /nfs/dbraw/zinc/80/88/77/864808877.db2.gz JVEIJYRLNJODNJ-UHFFFAOYSA-N 0 0 413.499 4.407 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000467932488 881806329 /nfs/dbraw/zinc/80/63/29/881806329.db2.gz XKTNNBFXHYYNDM-LJQANCHMSA-N 0 0 423.473 4.045 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000439433209 864829822 /nfs/dbraw/zinc/82/98/22/864829822.db2.gz YWHDNYPJPWFLPO-OAHLLOKOSA-N 0 0 411.771 4.264 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(Cc2ccccc2Cl)C2CCCC2)cccc1[N+](=O)[O-] ZINC000439634680 864961077 /nfs/dbraw/zinc/96/10/77/864961077.db2.gz ONSYSMTYZOUGMT-UHFFFAOYSA-N 0 0 415.877 4.467 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000467973012 881828963 /nfs/dbraw/zinc/82/89/63/881828963.db2.gz JJIIMNOZXMGDEL-PMERELPUSA-N 0 0 423.494 4.267 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000439732458 865064411 /nfs/dbraw/zinc/06/44/11/865064411.db2.gz QDZJDMBHKYJYEW-UHFFFAOYSA-N 0 0 418.497 4.356 20 5 HIBDRN C[C@H](O)CC(C)(C)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000439736720 865069109 /nfs/dbraw/zinc/06/91/09/865069109.db2.gz XHJFIWTTYPEENP-AWEZNQCLSA-N 0 0 419.909 4.387 20 5 HIBDRN COc1cc(Br)cc(C)c1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467987835 881835803 /nfs/dbraw/zinc/83/58/03/881835803.db2.gz GWVYRXZIMWDAAK-UHFFFAOYSA-N 0 0 408.252 4.039 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)cc1OC ZINC000439823284 865139771 /nfs/dbraw/zinc/13/97/71/865139771.db2.gz BJGKXUGQZSUGRE-MRXNPFEDSA-N 0 0 404.385 4.243 20 5 HIBDRN Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000439828583 865143617 /nfs/dbraw/zinc/14/36/17/865143617.db2.gz MHOZYQYSAHKCPK-CYBMUJFWSA-N 0 0 400.822 4.148 20 5 HIBDRN Cc1noc(C2CCC(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2)n1 ZINC000439850828 865160218 /nfs/dbraw/zinc/16/02/18/865160218.db2.gz CHMKZRMIEGEGOU-UHFFFAOYSA-N 0 0 421.457 4.486 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000439865919 865173079 /nfs/dbraw/zinc/17/30/79/865173079.db2.gz KVXRNMNNBNBMSU-NSHDSACASA-N 0 0 407.398 4.033 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(Br)s1 ZINC000439878772 865189732 /nfs/dbraw/zinc/18/97/32/865189732.db2.gz MTGQNVQHCSRPSW-UHFFFAOYSA-N 0 0 414.281 4.481 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000439881022 865192603 /nfs/dbraw/zinc/19/26/03/865192603.db2.gz BEJNWAUBNZEGLC-GOSISDBHSA-N 0 0 423.828 4.391 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000439905449 865216262 /nfs/dbraw/zinc/21/62/62/865216262.db2.gz UMKLUTISWSOPLP-QGZVFWFLSA-N 0 0 401.419 4.195 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C[C@@](C)(O)CC ZINC000439923046 865227294 /nfs/dbraw/zinc/22/72/94/865227294.db2.gz CCDYCFJSEOLLCG-NRFANRHFSA-N 0 0 401.463 4.189 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000439930939 865231826 /nfs/dbraw/zinc/23/18/26/865231826.db2.gz MJEGDFRFUNTZJT-QMMMGPOBSA-N 0 0 404.370 4.352 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000439932592 865232741 /nfs/dbraw/zinc/23/27/41/865232741.db2.gz OMYARFWOXNMODV-PZJWPPBQSA-N 0 0 421.457 4.240 20 5 HIBDRN COCCc1nc2cc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2o1 ZINC000439987418 865293085 /nfs/dbraw/zinc/29/30/85/865293085.db2.gz ZHZJSXLTUSIJSD-UHFFFAOYSA-N 0 0 409.320 4.196 20 5 HIBDRN COCCc1nc2cc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc2o1 ZINC000439995391 865302805 /nfs/dbraw/zinc/30/28/05/865302805.db2.gz LHTWWERJQRFTBK-GFCCVEGCSA-N 0 0 401.444 4.044 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440001375 865304777 /nfs/dbraw/zinc/30/47/77/865304777.db2.gz MXJWBLQXJPNECW-DEOSSOPVSA-N 0 0 417.465 4.359 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440013301 865310245 /nfs/dbraw/zinc/31/02/45/865310245.db2.gz RDPDERBDWOSERW-DEOSSOPVSA-N 0 0 416.481 4.291 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1 ZINC000440040402 865322020 /nfs/dbraw/zinc/32/20/20/865322020.db2.gz AHUSWVGLUBASQB-UHFFFAOYSA-N 0 0 419.363 4.209 20 5 HIBDRN CC(C)CC[C@@](C)(O)CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000440157743 865387019 /nfs/dbraw/zinc/38/70/19/865387019.db2.gz LZHGOTWCKOVDNQ-OPAMFIHVSA-N 0 0 414.506 4.080 20 5 HIBDRN COc1cc(C(=O)N(CCO)C2CCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000440168791 865396150 /nfs/dbraw/zinc/39/61/50/865396150.db2.gz NDNUQBBCFPKFQJ-UHFFFAOYSA-N 0 0 420.849 4.036 20 5 HIBDRN CC[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1cccc(F)c1 ZINC000440191364 865420625 /nfs/dbraw/zinc/42/06/25/865420625.db2.gz SUTUUPJOIKJZIJ-KRWDZBQOSA-N 0 0 401.438 4.239 20 5 HIBDRN COc1ccc(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] ZINC000468064752 881882933 /nfs/dbraw/zinc/88/29/33/881882933.db2.gz JOMKKGBPIHKQRW-UHFFFAOYSA-N 0 0 412.339 4.223 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(S(=O)(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000468067871 881885107 /nfs/dbraw/zinc/88/51/07/881885107.db2.gz HHCBRGVQGNNJKY-UHFFFAOYSA-N 0 0 408.501 4.141 20 5 HIBDRN COc1cc(C(=O)Nc2nc(Sc3ccc(C)cc3)ns2)ccc1[N+](=O)[O-] ZINC000440321252 865593098 /nfs/dbraw/zinc/59/30/98/865593098.db2.gz SOJVLACZGQJWRR-UHFFFAOYSA-N 0 0 402.457 4.167 20 5 HIBDRN Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000440404813 865700337 /nfs/dbraw/zinc/70/03/37/865700337.db2.gz GKBOIAGYOHZWJV-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN CNC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 ZINC000440450765 865753394 /nfs/dbraw/zinc/75/33/94/865753394.db2.gz HOCLMLNEEFFXPS-UHFFFAOYSA-N 0 0 407.451 4.358 20 5 HIBDRN COc1cc(CCNC(=O)C(C)(C)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000440517526 865802651 /nfs/dbraw/zinc/80/26/51/865802651.db2.gz IMIDDLMYRIMNDY-UHFFFAOYSA-N 0 0 420.893 4.193 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440546806 865814501 /nfs/dbraw/zinc/81/45/01/865814501.db2.gz OGRWFBRFQZKRSE-RYUMIWLPSA-N 0 0 412.490 4.375 20 5 HIBDRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1 ZINC000440598568 865830583 /nfs/dbraw/zinc/83/05/83/865830583.db2.gz NIRGHDLJHDTQHY-UYAOXDASSA-N 0 0 423.513 4.413 20 5 HIBDRN CCc1nnc(-c2cccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2)o1 ZINC000440601962 865832307 /nfs/dbraw/zinc/83/23/07/865832307.db2.gz UXODKBKFEDSHPV-UHFFFAOYSA-N 0 0 424.460 4.406 20 5 HIBDRN Cc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1S(C)(=O)=O ZINC000440602800 865832516 /nfs/dbraw/zinc/83/25/16/865832516.db2.gz ZZOCOWONOVEVND-UHFFFAOYSA-N 0 0 424.478 4.154 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000440620178 865843171 /nfs/dbraw/zinc/84/31/71/865843171.db2.gz YFYVOLVMJZODCR-KBPBESRZSA-N 0 0 414.849 4.079 20 5 HIBDRN COCc1nc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])c(-c2ccccc2)s1 ZINC000440640138 865853061 /nfs/dbraw/zinc/85/30/61/865853061.db2.gz RLSKKVYEMKIMJQ-UHFFFAOYSA-N 0 0 413.455 4.263 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(CC(F)F)c1cccc(Cl)c1 ZINC000440665441 865860589 /nfs/dbraw/zinc/86/05/89/865860589.db2.gz HICSVHBTZFLIHJ-UHFFFAOYSA-N 0 0 406.776 4.346 20 5 HIBDRN O=C(Nc1ccc(-c2ccccc2)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440709896 865871592 /nfs/dbraw/zinc/87/15/92/865871592.db2.gz FHPSYSVJSQZDOF-IBGZPJMESA-N 0 0 403.442 4.375 20 5 HIBDRN COc1ccccc1CN(Cc1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000440735255 865881356 /nfs/dbraw/zinc/88/13/56/865881356.db2.gz WDRQNAGBJBGTKG-UHFFFAOYSA-N 0 0 404.426 4.392 20 5 HIBDRN COc1ccc(OCc2ccnc(-c3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 ZINC000440790241 865914738 /nfs/dbraw/zinc/91/47/38/865914738.db2.gz DNHISIVAIGVCAH-UHFFFAOYSA-N 0 0 416.231 4.402 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)cc([N+](=O)[O-])c1OC ZINC000440808036 865926566 /nfs/dbraw/zinc/92/65/66/865926566.db2.gz PSITVHTUGZIQNG-SNVBAGLBSA-N 0 0 414.336 4.002 20 5 HIBDRN CCc1ccc(N(C(C)=O)c2nc(Cn3cc([N+](=O)[O-])c(C4CC4)n3)cs2)cc1 ZINC000468106567 881920140 /nfs/dbraw/zinc/92/01/40/881920140.db2.gz RDKRAWLQNBUVSA-UHFFFAOYSA-N 0 0 411.487 4.421 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000440847480 865955811 /nfs/dbraw/zinc/95/58/11/865955811.db2.gz VXZWXWKGAKEMBC-HOCLYGCPSA-N 0 0 404.488 4.429 20 5 HIBDRN C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Br)s1 ZINC000440873372 865969009 /nfs/dbraw/zinc/96/90/09/865969009.db2.gz JPPNVDHDQPHYEK-VIFPVBQESA-N 0 0 408.277 4.320 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000468112032 881934146 /nfs/dbraw/zinc/93/41/46/881934146.db2.gz XQVIIUVCNXRKIC-UHFFFAOYSA-N 0 0 422.285 4.345 20 5 HIBDRN O=C(c1ncccc1Oc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000441067790 866155390 /nfs/dbraw/zinc/15/53/90/866155390.db2.gz MKGXDKIRJJWEPK-UHFFFAOYSA-N 0 0 419.437 4.466 20 5 HIBDRN O=C(NCCc1ccc2[nH]ccc2c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000441130404 866223527 /nfs/dbraw/zinc/22/35/27/866223527.db2.gz YAYYHTKFNAJZQZ-UHFFFAOYSA-N 0 0 406.364 4.137 20 5 HIBDRN CCCOc1cc(NC(=O)[C@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1OCCC ZINC000441321635 866392053 /nfs/dbraw/zinc/39/20/53/866392053.db2.gz HPTHZPPOVMEVCI-NRFANRHFSA-N 0 0 414.458 4.425 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000441377643 866446700 /nfs/dbraw/zinc/44/67/00/866446700.db2.gz MCCVFYSWKRVGJR-UKRRQHHQSA-N 0 0 417.893 4.454 20 5 HIBDRN CCCN(C(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441450413 866528124 /nfs/dbraw/zinc/52/81/24/866528124.db2.gz REWASTHIRQIRTQ-ROUUACIJSA-N 0 0 411.502 4.261 20 5 HIBDRN CO[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000441474556 866551461 /nfs/dbraw/zinc/55/14/61/866551461.db2.gz QVNITLPISKTJLF-RHSMWYFYSA-N 0 0 417.893 4.500 20 5 HIBDRN CCCN(C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000441476527 866555393 /nfs/dbraw/zinc/55/53/93/866555393.db2.gz WHEXOQVPPNICBM-UHFFFAOYSA-N 0 0 420.469 4.088 20 5 HIBDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000441484729 866565566 /nfs/dbraw/zinc/56/55/66/866565566.db2.gz BADVQNKVWRXBAN-FQEVSTJZSA-N 0 0 412.877 4.162 20 5 HIBDRN CCOc1ccccc1CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000441787841 866859609 /nfs/dbraw/zinc/85/96/09/866859609.db2.gz JUJWEGIPCSOHMO-QGZVFWFLSA-N 0 0 412.490 4.040 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441799820 866867727 /nfs/dbraw/zinc/86/77/27/866867727.db2.gz UPTLBFHYSHSJHV-LSDHHAIUSA-N 0 0 405.882 4.403 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2cccc(COc3ccccc3)c2C)cc1[N+](=O)[O-] ZINC000441862302 866926442 /nfs/dbraw/zinc/92/64/42/866926442.db2.gz KHSIOODAWHFCDA-UHFFFAOYSA-N 0 0 419.437 4.368 20 5 HIBDRN O=C(NCc1cccc(COCC(F)(F)F)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000441896884 866961737 /nfs/dbraw/zinc/96/17/37/866961737.db2.gz DISQTXDPVRRQBM-UHFFFAOYSA-N 0 0 407.348 4.085 20 5 HIBDRN COc1cc(C(=O)Nc2cc3c(cc2Br)CCC3)c([N+](=O)[O-])cc1OC ZINC000468165729 882039621 /nfs/dbraw/zinc/03/96/21/882039621.db2.gz TWCPVIXFCZCHES-UHFFFAOYSA-N 0 0 421.247 4.116 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@H](n2cccn2)C1 ZINC000442017624 867068294 /nfs/dbraw/zinc/06/82/94/867068294.db2.gz KAXKVRWKTCVXKW-INIZCTEOSA-N 0 0 408.483 4.420 20 5 HIBDRN CCc1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1-c1ccccc1 ZINC000468180141 882057215 /nfs/dbraw/zinc/05/72/15/882057215.db2.gz PMHPKCFSRZPYID-UHFFFAOYSA-N 0 0 419.485 4.198 20 5 HIBDRN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c1 ZINC000442238138 867277831 /nfs/dbraw/zinc/27/78/31/867277831.db2.gz BWXITMFQUSASNC-UHFFFAOYSA-N 0 0 412.292 4.016 20 5 HIBDRN O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442260620 867295186 /nfs/dbraw/zinc/29/51/86/867295186.db2.gz ZLLJWNGCVXGKCP-UHFFFAOYSA-N 0 0 418.438 4.178 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2ccccc12 ZINC000468208985 882089620 /nfs/dbraw/zinc/08/96/20/882089620.db2.gz MCHBHNMAHDWTFJ-UHFFFAOYSA-N 0 0 414.801 4.206 20 5 HIBDRN Cc1cncc(N(Cc2ccc(F)cc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000442595241 867550794 /nfs/dbraw/zinc/55/07/94/867550794.db2.gz FNNZMOUGDPNYBR-UHFFFAOYSA-N 0 0 415.446 4.141 20 5 HIBDRN O=[N+]([O-])c1cccc(N(C2CCCC2)S(=O)(=O)c2ccc(Br)o2)c1 ZINC000442595361 867551629 /nfs/dbraw/zinc/55/16/29/867551629.db2.gz GDYLZDFCTYWCSQ-UHFFFAOYSA-N 0 0 415.265 4.088 20 5 HIBDRN O=C(NC[C@H](O)C1CCCCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442651364 867590648 /nfs/dbraw/zinc/59/06/48/867590648.db2.gz QEZKTNQNFRGANX-SFHVURJKSA-N 0 0 400.500 4.417 20 5 HIBDRN C[C@@]1(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000442677568 867610283 /nfs/dbraw/zinc/61/02/83/867610283.db2.gz CGRXSYOMOZMRGQ-FPOVZHCZSA-N 0 0 400.500 4.417 20 5 HIBDRN COCCOC1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000442725778 867650836 /nfs/dbraw/zinc/65/08/36/867650836.db2.gz VNQGQIHPTVDDCV-UHFFFAOYSA-N 0 0 416.499 4.014 20 5 HIBDRN COCc1nc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)c(-c2ccccc2)s1 ZINC000442846523 867696723 /nfs/dbraw/zinc/69/67/23/867696723.db2.gz ZRTXAPDETBEQBQ-UHFFFAOYSA-N 0 0 422.466 4.276 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(F)cc(F)c2Br)c1C ZINC000442855239 867700785 /nfs/dbraw/zinc/70/07/85/867700785.db2.gz XCSAYYWCQQJHEX-UHFFFAOYSA-N 0 0 421.219 4.053 20 5 HIBDRN Cc1cc(C)cc(OCc2noc(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)n2)c1 ZINC000442901005 867730008 /nfs/dbraw/zinc/73/00/08/867730008.db2.gz QPCUUCRZDAEYTJ-UHFFFAOYSA-N 0 0 413.821 4.225 20 5 HIBDRN CC(C)[C@H](O)C1(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000442903656 867733002 /nfs/dbraw/zinc/73/30/02/867733002.db2.gz YPAFMJOBHURZPE-IBGZPJMESA-N 0 0 400.500 4.273 20 5 HIBDRN O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000442930068 867748114 /nfs/dbraw/zinc/74/81/14/867748114.db2.gz ZCJHNMXZCALJMV-SJLPKXTDSA-N 0 0 422.384 4.131 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)CC[C@@H]3CCCO3)cc2[N+](=O)[O-])n1 ZINC000468224876 882116116 /nfs/dbraw/zinc/11/61/16/882116116.db2.gz OPPKCPIZBJOIJE-AWEZNQCLSA-N 0 0 407.517 4.152 20 5 HIBDRN C[C@@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443201862 867873072 /nfs/dbraw/zinc/87/30/72/867873072.db2.gz TWBMOAGGARUHEH-VIFPVBQESA-N 0 0 417.281 4.178 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccco1 ZINC000468245733 882146280 /nfs/dbraw/zinc/14/62/80/882146280.db2.gz QSUJEBQOIUMCRS-QGZVFWFLSA-N 0 0 414.461 4.012 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)CNc2c(C)ccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000443514486 868076792 /nfs/dbraw/zinc/07/67/92/868076792.db2.gz GWFDOHTUHVUWGH-LJQANCHMSA-N 0 0 413.474 4.004 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000443526759 868084192 /nfs/dbraw/zinc/08/41/92/868084192.db2.gz AEJNYIAEHIEVFO-QGZVFWFLSA-N 0 0 408.414 4.187 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(O)c1 ZINC000443581187 868137619 /nfs/dbraw/zinc/13/76/19/868137619.db2.gz WYTXLOKHIFLILR-ZDUSSCGKSA-N 0 0 408.414 4.129 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H](Oc4ccccc4Cl)C3)n2)c1 ZINC000443650135 868242291 /nfs/dbraw/zinc/24/22/91/868242291.db2.gz IQOPYGCPZJSPAO-MRXNPFEDSA-N 0 0 414.849 4.342 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1CC(=O)c1cccs1 ZINC000443675421 868283187 /nfs/dbraw/zinc/28/31/87/868283187.db2.gz PINWSFOBBQKWNO-TZMCWYRMSA-N 0 0 422.890 4.341 20 5 HIBDRN CC(C)(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000443755257 868324060 /nfs/dbraw/zinc/32/40/60/868324060.db2.gz IFIREWGGCAKHEM-UHFFFAOYSA-N 0 0 416.421 4.011 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)CC2 ZINC000443788705 868332403 /nfs/dbraw/zinc/33/24/03/868332403.db2.gz WYCBMIQBMOWQTI-UHFFFAOYSA-N 0 0 420.796 4.014 20 5 HIBDRN CN(CC(=O)Nc1nc2c(cccc2C(F)(F)F)s1)c1ccccc1[N+](=O)[O-] ZINC000443802046 868338960 /nfs/dbraw/zinc/33/89/60/868338960.db2.gz NFRXEWQBQWYGPJ-UHFFFAOYSA-N 0 0 410.377 4.298 20 5 HIBDRN O=C(CCCC1CCCC1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000443834550 868364709 /nfs/dbraw/zinc/36/47/09/868364709.db2.gz JDEGUKDBJPQMJZ-UHFFFAOYSA-N 0 0 423.516 4.183 20 5 HIBDRN CSc1cc2c(cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCCO2 ZINC000443871218 868402455 /nfs/dbraw/zinc/40/24/55/868402455.db2.gz VHWOSTOLXRBABD-UHFFFAOYSA-N 0 0 414.361 4.359 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1c(F)cc(F)cc1F ZINC000443915832 868451802 /nfs/dbraw/zinc/45/18/02/868451802.db2.gz NBAQRYBRCVEVOB-UHFFFAOYSA-N 0 0 407.270 4.472 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000443930911 868469154 /nfs/dbraw/zinc/46/91/54/868469154.db2.gz WDLHOWDBCQHANP-UHFFFAOYSA-N 0 0 413.474 4.229 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000443944689 868480535 /nfs/dbraw/zinc/48/05/35/868480535.db2.gz FRMPPIBVSQJVDB-UHFFFAOYSA-N 0 0 418.444 4.276 20 5 HIBDRN CCOc1ccc(CCNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1OCC ZINC000443951053 868486443 /nfs/dbraw/zinc/48/64/43/868486443.db2.gz WSNKMPLMEAQXGD-UHFFFAOYSA-N 0 0 401.463 4.373 20 5 HIBDRN COc1ccccc1-c1noc([C@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000443952746 868488523 /nfs/dbraw/zinc/48/85/23/868488523.db2.gz OYUVXAHKMXWMQI-ZDUSSCGKSA-N 0 0 411.418 4.153 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000443954107 868490035 /nfs/dbraw/zinc/49/00/35/868490035.db2.gz AGGYQUCWHQYFKM-HNNXBMFYSA-N 0 0 418.444 4.276 20 5 HIBDRN CNC(=O)c1ccc(Oc2cccc(CNC(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000443964111 868496456 /nfs/dbraw/zinc/49/64/56/868496456.db2.gz 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CC(C)(CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Oc1ccccc1 ZINC000444031022 868564551 /nfs/dbraw/zinc/56/45/51/868564551.db2.gz HIUQWKDFVSAEGE-UHFFFAOYSA-N 0 0 404.441 4.408 20 5 HIBDRN O=C(N[C@@H]1CCc2c1cccc2O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444033201 868566609 /nfs/dbraw/zinc/56/66/09/868566609.db2.gz QUPAFRPVJHQFKC-GOSISDBHSA-N 0 0 406.388 4.082 20 5 HIBDRN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)Oc1ccccc1 ZINC000444036506 868573338 /nfs/dbraw/zinc/57/33/38/868573338.db2.gz CYNXYTQTGKVMGT-CYBMUJFWSA-N 0 0 408.404 4.157 20 5 HIBDRN C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1nc2ccccc2n1C ZINC000444040424 868578632 /nfs/dbraw/zinc/57/86/32/868578632.db2.gz RJNIBYSKDQEBMO-ZDUSSCGKSA-N 0 0 414.440 4.198 20 5 HIBDRN COc1cccc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000444041024 868580123 /nfs/dbraw/zinc/58/01/23/868580123.db2.gz VTSGQBIRJGOORJ-UHFFFAOYSA-N 0 0 422.485 4.479 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cc(F)cc(F)c2Br)cc1[N+](=O)[O-] ZINC000468283286 882205595 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406.320 4.075 20 5 HIBDRN O=[N+]([O-])c1ccccc1-n1ccc(-c2nc([C@@H]3CSc4ccccc4O3)no2)n1 ZINC000446016451 869984355 /nfs/dbraw/zinc/98/43/55/869984355.db2.gz RUTYATALBPROGQ-INIZCTEOSA-N 0 0 407.411 4.056 20 5 HIBDRN CCOC(=O)c1sc2ccsc2c1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000446032988 869997475 /nfs/dbraw/zinc/99/74/75/869997475.db2.gz HTXJZHRZKTVATE-UHFFFAOYSA-N 0 0 404.469 4.286 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](Cc1ccccc1)C1CC1 ZINC000446046657 870008935 /nfs/dbraw/zinc/00/89/35/870008935.db2.gz UOJITQMLQZSDPM-GOSISDBHSA-N 0 0 403.276 4.037 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000446078245 870028823 /nfs/dbraw/zinc/02/88/23/870028823.db2.gz FLEAMVALULTWKJ-UHFFFAOYSA-N 0 0 404.426 4.477 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC(=O)Nc1cccc(Cl)c1C ZINC000446078918 870029644 /nfs/dbraw/zinc/02/96/44/870029644.db2.gz ICTFESYKRDTDPG-UHFFFAOYSA-N 0 0 410.257 4.277 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(-n2cnc3ccccc32)cc1 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CC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000446425303 870340393 /nfs/dbraw/zinc/34/03/93/870340393.db2.gz QOAAZUNAJLKAHZ-UHFFFAOYSA-N 0 0 405.410 4.385 20 5 HIBDRN O=C(CCCc1ccc(Br)s1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446433275 870351000 /nfs/dbraw/zinc/35/10/00/870351000.db2.gz RFENSJVSVRXDKK-UHFFFAOYSA-N 0 0 409.305 4.326 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1OC ZINC000446434263 870352133 /nfs/dbraw/zinc/35/21/33/870352133.db2.gz YQVSGVLMSRYHBQ-UHFFFAOYSA-N 0 0 408.410 4.443 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446436596 870356097 /nfs/dbraw/zinc/35/60/97/870356097.db2.gz UDCQXGPHSNFIIL-IAGOWNOFSA-N 0 0 406.360 4.182 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC(C)(C)Sc3ccccc32)cc([N+](=O)[O-])c1 ZINC000446438540 870357913 /nfs/dbraw/zinc/35/79/13/870357913.db2.gz KOEDXLXPUPJEJM-UHFFFAOYSA-N 0 0 400.456 4.303 20 5 HIBDRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000446441085 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ZINC000447034316 870910712 /nfs/dbraw/zinc/91/07/12/870910712.db2.gz QMJKEJGCUGQWCC-LBPRGKRZSA-N 0 0 402.394 4.304 20 5 HIBDRN O=C(N[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1)c1ccc2ccccc2c1 ZINC000447205056 871095289 /nfs/dbraw/zinc/09/52/89/871095289.db2.gz WZRXDSWZKSIRFO-KRWDZBQOSA-N 0 0 410.861 4.195 20 5 HIBDRN COc1ccc(NC(=O)CN[C@H](c2ccccc2)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000447338787 871233487 /nfs/dbraw/zinc/23/34/87/871233487.db2.gz STWXIXXPFQDGJB-JOCHJYFZSA-N 0 0 409.417 4.060 20 5 HIBDRN COc1ccccc1NC(=O)[C@H](C)Sc1ccc(Br)cc1[N+](=O)[O-] ZINC000447359375 871265098 /nfs/dbraw/zinc/26/50/98/871265098.db2.gz OZJRAFGHNDGITM-JTQLQIEISA-N 0 0 411.277 4.485 20 5 HIBDRN CCN(CC)C(=O)[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000447399084 871308923 /nfs/dbraw/zinc/30/89/23/871308923.db2.gz UUOHJJROTVPFIU-GOSISDBHSA-N 0 0 409.408 4.313 20 5 HIBDRN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2Nc2cnn(-c3ncc(Cl)cc3Cl)c2)n1 ZINC000447591856 871497602 /nfs/dbraw/zinc/49/76/02/871497602.db2.gz 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O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000468554606 882600512 /nfs/dbraw/zinc/60/05/12/882600512.db2.gz ORWJTNFWOBMIJL-QGZVFWFLSA-N 0 0 418.291 4.003 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)cc1OC ZINC000448459992 872418355 /nfs/dbraw/zinc/41/83/55/872418355.db2.gz UXVPHQVQUUDVLO-INIZCTEOSA-N 0 0 416.327 4.017 20 5 HIBDRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000448483260 872464435 /nfs/dbraw/zinc/46/44/35/872464435.db2.gz IOFRHWRQIRDRFQ-HOTGVXAUSA-N 0 0 422.359 4.133 20 5 HIBDRN CCC[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])s1)c1nc(C)c(C(=O)OCC)s1 ZINC000460117415 872587622 /nfs/dbraw/zinc/58/76/22/872587622.db2.gz SCABWUAJBUXQPA-JTQLQIEISA-N 0 0 411.505 4.433 20 5 HIBDRN CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000460201551 872779676 /nfs/dbraw/zinc/77/96/76/872779676.db2.gz LYYVAUOBDUMTLH-SFTDATJTSA-N 0 0 421.501 4.130 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000460202154 872779718 /nfs/dbraw/zinc/77/97/18/872779718.db2.gz DOEWCUPQHZGGSY-LJQANCHMSA-N 0 0 423.473 4.232 20 5 HIBDRN CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460231656 872818542 /nfs/dbraw/zinc/81/85/42/872818542.db2.gz IZSHWWHXJORWQO-UHFFFAOYSA-N 0 0 414.469 4.293 20 5 HIBDRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])o1)CCO2 ZINC000460247334 872834913 /nfs/dbraw/zinc/83/49/13/872834913.db2.gz NYASUDLGXDDTOM-GOSISDBHSA-N 0 0 408.410 4.363 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(Cl)cc2OC(F)F)cc1[N+](=O)[O-] ZINC000460262062 872851390 /nfs/dbraw/zinc/85/13/90/872851390.db2.gz ZQFZEOQCBKWBCQ-UHFFFAOYSA-N 0 0 401.753 4.180 20 5 HIBDRN CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460270151 872859361 /nfs/dbraw/zinc/85/93/61/872859361.db2.gz UEDZNBABJGHXJE-UHFFFAOYSA-N 0 0 401.829 4.228 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000460273192 872862393 /nfs/dbraw/zinc/86/23/93/872862393.db2.gz HBLDNOUCVYKPKQ-UHFFFAOYSA-N 0 0 410.879 4.202 20 5 HIBDRN CCn1c(Cc2c[nH]c3ccccc23)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000460293319 872884102 /nfs/dbraw/zinc/88/41/02/872884102.db2.gz YREOKHPBVSXUSF-UHFFFAOYSA-N 0 0 416.485 4.447 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000460297124 872887297 /nfs/dbraw/zinc/88/72/97/872887297.db2.gz QLLAZXAQWCGSSJ-FQEVSTJZSA-N 0 0 407.474 4.059 20 5 HIBDRN CO[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000460305856 872894273 /nfs/dbraw/zinc/89/42/73/872894273.db2.gz MVFTVMLFHVNSCE-KRWDZBQOSA-N 0 0 413.257 4.174 20 5 HIBDRN Cc1csc([C@@H](NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000460312213 872897998 /nfs/dbraw/zinc/89/79/98/872897998.db2.gz PUYFZEVSASFRNM-DJJJIMSYSA-N 0 0 414.531 4.477 20 5 HIBDRN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 ZINC000460319604 872913549 /nfs/dbraw/zinc/91/35/49/872913549.db2.gz HRLZSAHPBWMEFD-OAHLLOKOSA-N 0 0 413.655 4.128 20 5 HIBDRN Cc1c(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cccc1[N+](=O)[O-] ZINC000460333931 872941722 /nfs/dbraw/zinc/94/17/22/872941722.db2.gz WLNPMKHIMZEOHL-UHFFFAOYSA-N 0 0 419.368 4.095 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)CN(C)c2ccccc21 ZINC000460338591 872946723 /nfs/dbraw/zinc/94/67/23/872946723.db2.gz JFYOAOOXDQJSIT-KBPBESRZSA-N 0 0 403.866 4.135 20 5 HIBDRN CCOc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000460345406 872962352 /nfs/dbraw/zinc/96/23/52/872962352.db2.gz GDGKOGLEZRZZQQ-HXUWFJFHSA-N 0 0 402.472 4.280 20 5 HIBDRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460356987 872982641 /nfs/dbraw/zinc/98/26/41/872982641.db2.gz QJRBSYHOTRLFJH-BBATYDOGSA-N 0 0 410.854 4.429 20 5 HIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(CCCOc1ccccc1)C1CCOCC1 ZINC000468588550 882673829 /nfs/dbraw/zinc/67/38/29/882673829.db2.gz JKKZLJRSKWOSQK-UHFFFAOYSA-N 0 0 418.877 4.339 20 5 HIBDRN CC(C)COc1ccc(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000460366020 872998118 /nfs/dbraw/zinc/99/81/18/872998118.db2.gz PWNBSAKBIGLJQF-OAQYLSRUSA-N 0 0 400.500 4.446 20 5 HIBDRN COc1cccc(-n2c(NC(=O)c3cc([N+](=O)[O-])ccc3OC)nc3ccccc32)c1 ZINC000460400987 873051213 /nfs/dbraw/zinc/05/12/13/873051213.db2.gz NJLJHIZDXBNZPC-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[C@H]2CCC[C@@H]21 ZINC000460416956 873073673 /nfs/dbraw/zinc/07/36/73/873073673.db2.gz USLGBNNRDTWYNG-BZNIZROVSA-N 0 0 409.273 4.492 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)cc1SC ZINC000460444241 873113571 /nfs/dbraw/zinc/11/35/71/873113571.db2.gz BEIBZLDBPUFVRP-NSHDSACASA-N 0 0 410.879 4.176 20 5 HIBDRN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000460449795 873123309 /nfs/dbraw/zinc/12/33/09/873123309.db2.gz QOKXCUWECLFFCW-IBGZPJMESA-N 0 0 421.501 4.276 20 5 HIBDRN Cc1c(=O)[nH]c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000460451265 873125114 /nfs/dbraw/zinc/12/51/14/873125114.db2.gz UMBYTDUCNBYFCA-CYBMUJFWSA-N 0 0 410.455 4.185 20 5 HIBDRN C[C@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000468597947 882692697 /nfs/dbraw/zinc/69/26/97/882692697.db2.gz QCTRCJWFAHTZJH-LBPRGKRZSA-N 0 0 400.822 4.108 20 5 HIBDRN CC[C@@H](NC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000460493786 873178659 /nfs/dbraw/zinc/17/86/59/873178659.db2.gz XKRYNNBMEGXZCC-FFZOFVMBSA-N 0 0 417.893 4.117 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(F)cc2OC(F)F)cc1[N+](=O)[O-] ZINC000460502256 873188237 /nfs/dbraw/zinc/18/82/37/873188237.db2.gz QCIYRMPFTXVKFJ-UHFFFAOYSA-N 0 0 416.377 4.216 20 5 HIBDRN Cc1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccccc1 ZINC000460503861 873190460 /nfs/dbraw/zinc/19/04/60/873190460.db2.gz MLSMWZURPBRHEX-UHFFFAOYSA-N 0 0 403.438 4.128 20 5 HIBDRN O=C(CCc1nc2ccccc2n1-c1ccccc1)NCCc1ccccc1[N+](=O)[O-] ZINC000460505106 873191953 /nfs/dbraw/zinc/19/19/53/873191953.db2.gz RWRJVPDUSVXBJY-UHFFFAOYSA-N 0 0 414.465 4.225 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000460521008 873211139 /nfs/dbraw/zinc/21/11/39/873211139.db2.gz ANHQXPARUKLWQR-ZDUSSCGKSA-N 0 0 408.285 4.421 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](COCc2ccccc2)C1 ZINC000460525512 873216063 /nfs/dbraw/zinc/21/60/63/873216063.db2.gz OCGOOMQYMOTWBE-HNNXBMFYSA-N 0 0 419.275 4.036 20 5 HIBDRN Cc1cccc(O[C@@H](C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000460556415 873276468 /nfs/dbraw/zinc/27/64/68/873276468.db2.gz VJSRAZSULGRVNT-SFHVURJKSA-N 0 0 400.478 4.047 20 5 HIBDRN Cc1cccc(O[C@@H](C)CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000460566274 873298016 /nfs/dbraw/zinc/29/80/16/873298016.db2.gz RGCDNPXAIJICMF-ZDUSSCGKSA-N 0 0 412.364 4.042 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000460654396 873395668 /nfs/dbraw/zinc/39/56/68/873395668.db2.gz GSFOMCPDPBMGBB-LPHOPBHVSA-N 0 0 414.527 4.489 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)cc1[N+](=O)[O-] ZINC000468613036 882723222 /nfs/dbraw/zinc/72/32/22/882723222.db2.gz QXZYLYIUJQTGLQ-QGZVFWFLSA-N 0 0 405.401 4.024 20 5 HIBDRN COc1cc(CCC2CCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000460694997 873458692 /nfs/dbraw/zinc/45/86/92/873458692.db2.gz ZXIXZXVPTMPQPV-UHFFFAOYSA-N 0 0 412.486 4.405 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@@H](SC)C1 ZINC000460712139 873501807 /nfs/dbraw/zinc/50/18/07/873501807.db2.gz HMFCHCBIJDEQSV-GOSISDBHSA-N 0 0 419.551 4.002 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000460778878 873632702 /nfs/dbraw/zinc/63/27/02/873632702.db2.gz NMXMJFSEZMPOKP-DBVUQKKJSA-N 0 0 413.522 4.295 20 5 HIBDRN CCSCC[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000460893414 873804363 /nfs/dbraw/zinc/80/43/63/873804363.db2.gz JMYBZHNYWOQQTF-CRAIPNDOSA-N 0 0 419.551 4.000 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)[C@@H]1c1ccccc1 ZINC000460911600 873818654 /nfs/dbraw/zinc/81/86/54/873818654.db2.gz ROGXUTIIHXWGCF-CZAAIQMYSA-N 0 0 419.485 4.230 20 5 HIBDRN CCN(Cc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 ZINC000460915222 873821854 /nfs/dbraw/zinc/82/18/54/873821854.db2.gz STTSHMPZWYBDOX-HXUWFJFHSA-N 0 0 407.474 4.059 20 5 HIBDRN C[C@H](c1cccs1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000460935188 873836615 /nfs/dbraw/zinc/83/66/15/873836615.db2.gz RMCWIEJLWHMMMM-PBHICJAKSA-N 0 0 413.503 4.291 20 5 HIBDRN Cc1c(Br)c(NCc2ncc(-c3ccccc3)cn2)ncc1[N+](=O)[O-] ZINC000460950677 873850003 /nfs/dbraw/zinc/85/00/03/873850003.db2.gz GXYFSESHPMWQIN-UHFFFAOYSA-N 0 0 400.236 4.130 20 5 HIBDRN C[C@]1(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)OCCc2sccc21 ZINC000460953299 873851571 /nfs/dbraw/zinc/85/15/71/873851571.db2.gz DQOFINLXQAQYTH-HSZRJFAPSA-N 0 0 422.481 4.100 20 5 HIBDRN C[C@@H](N(C)C(=O)c1cc(C(=O)N(C)[C@@H](C)C2(C)CC2)cc([N+](=O)[O-])c1)C1(C)CC1 ZINC000461024930 873891051 /nfs/dbraw/zinc/89/10/51/873891051.db2.gz CPKUMEKHAKDKFR-GASCZTMLSA-N 0 0 401.507 4.116 20 5 HIBDRN Cc1cccc(Cl)c1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000461119900 874045241 /nfs/dbraw/zinc/04/52/41/874045241.db2.gz BMFUYCYDUKWVJX-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3C3CCCC3)n2C[C@@H]2CCCO2)c1 ZINC000461145335 874088732 /nfs/dbraw/zinc/08/87/32/874088732.db2.gz FXASRUIZBXKBFY-PMACEKPBSA-N 0 0 411.506 4.191 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)[C@@H]2CCCC[C@@H]21 ZINC000461151241 874099579 /nfs/dbraw/zinc/09/95/79/874099579.db2.gz KGOOEGJGBSNGNJ-XWPNQZOQSA-N 0 0 411.506 4.047 20 5 HIBDRN Cc1n[nH]c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)c1[N+](=O)[O-] ZINC000461153566 874103521 /nfs/dbraw/zinc/10/35/21/874103521.db2.gz GPZMGDDSKUNGFK-UHFFFAOYSA-N 0 0 410.396 4.277 20 5 HIBDRN Cc1cccc(Cl)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000461162755 874123243 /nfs/dbraw/zinc/12/32/43/874123243.db2.gz UOVCGIZARQOJFK-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@H]3C3CCCC3)n2C[C@H]2CCCO2)cc1 ZINC000461176494 874154091 /nfs/dbraw/zinc/15/40/91/874154091.db2.gz XUCRURUFTJLUQU-WOJBJXKFSA-N 0 0 411.506 4.191 20 5 HIBDRN Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2C[C@H]2CCCO2)o1 ZINC000461178626 874159136 /nfs/dbraw/zinc/15/91/36/874159136.db2.gz JMUXIODSSNVQOZ-LJQANCHMSA-N 0 0 423.473 4.103 20 5 HIBDRN Cc1[nH]nc(C(=O)N(CCSc2ccc(F)cc2)c2ccccc2)c1[N+](=O)[O-] ZINC000461255436 874260976 /nfs/dbraw/zinc/26/09/76/874260976.db2.gz CWUSMGUPWVMGID-UHFFFAOYSA-N 0 0 400.435 4.205 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)[C@H](C)OC)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000461281623 874288274 /nfs/dbraw/zinc/28/82/74/874288274.db2.gz CRPSOECZVHENDH-NEPJUHHUSA-N 0 0 408.838 4.202 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)cc2[N+](=O)[O-])C1 ZINC000461308658 874315808 /nfs/dbraw/zinc/31/58/08/874315808.db2.gz UXHWLZICFYFBNQ-CZAAIQMYSA-N 0 0 413.518 4.005 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCOC4(CCCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000461330306 874340655 /nfs/dbraw/zinc/34/06/55/874340655.db2.gz DANHSWRCRHWLDV-KRWDZBQOSA-N 0 0 401.507 4.006 20 5 HIBDRN CC[C@H](c1nnc(Sc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)o1)c1ccccc1 ZINC000468705069 882822220 /nfs/dbraw/zinc/82/22/20/882822220.db2.gz AJWKXYWESSBZQO-AWEZNQCLSA-N 0 0 419.484 4.074 20 5 HIBDRN Cc1cnn([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C2)c1 ZINC000461392269 874399379 /nfs/dbraw/zinc/39/93/79/874399379.db2.gz YBDSCLJLKALSPN-SFHVURJKSA-N 0 0 414.531 4.469 20 5 HIBDRN O=C(N1CCOc2ccc([N+](=O)[O-])cc2C1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000461404189 874416645 /nfs/dbraw/zinc/41/66/45/874416645.db2.gz GOWJYYJXGOUCRP-UHFFFAOYSA-N 0 0 420.387 4.358 20 5 HIBDRN O=C(CCCc1ccccc1Br)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461407010 874419262 /nfs/dbraw/zinc/41/92/62/874419262.db2.gz MXRZMULIGOZIGX-UHFFFAOYSA-N 0 0 419.275 4.101 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461405915 874419940 /nfs/dbraw/zinc/41/99/40/874419940.db2.gz JYVQFDKKLSKFHG-JKSUJKDBSA-N 0 0 422.359 4.018 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461410672 874425769 /nfs/dbraw/zinc/42/57/69/874425769.db2.gz IZLHMMVPTNZTSR-DLBZAZTESA-N 0 0 407.253 4.426 20 5 HIBDRN CC1(C)CCN(C(=O)c2cc(C(=O)N3CCC(C)(C)CC3)cc([N+](=O)[O-])c2)CC1 ZINC000461441152 874495723 /nfs/dbraw/zinc/49/57/23/874495723.db2.gz ABZPBKQUHZTJKV-UHFFFAOYSA-N 0 0 401.507 4.119 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(C(=O)N2CCCC[C@@H]2CCO)c1 ZINC000468741276 882837872 /nfs/dbraw/zinc/83/78/72/882837872.db2.gz YZUAUTBWMONGMS-OVWUPXBPSA-N 0 0 423.513 4.487 20 5 HIBDRN Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000468746761 882840570 /nfs/dbraw/zinc/84/05/70/882840570.db2.gz HMSGQMMHKJRYNF-UHFFFAOYSA-N 0 0 419.416 4.431 20 5 HIBDRN C[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)c2ccccc21 ZINC000461528932 874614100 /nfs/dbraw/zinc/61/41/00/874614100.db2.gz CWPLOVKXPFATKT-JKSUJKDBSA-N 0 0 405.458 4.145 20 5 HIBDRN C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461535133 874622275 /nfs/dbraw/zinc/62/22/75/874622275.db2.gz RPJGBEFEKIHHMZ-IRXDYDNUSA-N 0 0 413.522 4.295 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C12CCCCC2 ZINC000461544120 874631372 /nfs/dbraw/zinc/63/13/72/874631372.db2.gz LCQPHDURFGNKKG-QZTJIDSGSA-N 0 0 408.520 4.183 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)CCNc3ccccc3[N+](=O)[O-])cc2)n1 ZINC000461552431 874640562 /nfs/dbraw/zinc/64/05/62/874640562.db2.gz BQLYJKLBYRZQOG-QGZVFWFLSA-N 0 0 407.474 4.077 20 5 HIBDRN CC(C)[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)CC1 ZINC000461566851 874665246 /nfs/dbraw/zinc/66/52/46/874665246.db2.gz JFBRAKIVEHDJHQ-ROUUACIJSA-N 0 0 413.522 4.152 20 5 HIBDRN CC(C)CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1)C1CCCC1 ZINC000461571457 874671964 /nfs/dbraw/zinc/67/19/64/874671964.db2.gz WBXPSDPRRZTKQV-KRWDZBQOSA-N 0 0 413.522 4.295 20 5 HIBDRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)CC1 ZINC000461582029 874689095 /nfs/dbraw/zinc/68/90/95/874689095.db2.gz IMNKDDVAGSJXAN-MSOLQXFVSA-N 0 0 413.522 4.152 20 5 HIBDRN CC(C)C[C@H]1CCCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461590070 874706768 /nfs/dbraw/zinc/70/67/68/874706768.db2.gz LNIVUVNAWMQWLO-PKOBYXMFSA-N 0 0 413.522 4.295 20 5 HIBDRN CC(C)(C)c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1CCCCO1 ZINC000461679931 874829918 /nfs/dbraw/zinc/82/99/18/874829918.db2.gz KCCVUVOEIZRSDT-IBGZPJMESA-N 0 0 413.522 4.222 20 5 HIBDRN Cc1cc(N2CCC(C(=O)N3CCC(C)CC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461771028 874900687 /nfs/dbraw/zinc/90/06/87/874900687.db2.gz CFJYKQRPGRJKLH-UHFFFAOYSA-N 0 0 413.440 4.397 20 5 HIBDRN CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000462076757 875187113 /nfs/dbraw/zinc/18/71/13/875187113.db2.gz WXYLLRYHHXEHAD-OAHLLOKOSA-N 0 0 424.906 4.050 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462093301 875203287 /nfs/dbraw/zinc/20/32/87/875203287.db2.gz SPPMMAWBSNPMCQ-UHFFFAOYSA-N 0 0 406.407 4.028 20 5 HIBDRN C[C@H]1C[C@H](c2ccccc2)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462131238 875232430 /nfs/dbraw/zinc/23/24/30/875232430.db2.gz RBRSADQYKKNVCG-AAEUAGOBSA-N 0 0 415.298 4.468 20 5 HIBDRN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000462149572 875245807 /nfs/dbraw/zinc/24/58/07/875245807.db2.gz QLHVTSUGBRZJDJ-FQEVSTJZSA-N 0 0 409.490 4.052 20 5 HIBDRN CN(c1ccc2ccccc2n1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462334279 875451135 /nfs/dbraw/zinc/45/11/35/875451135.db2.gz MHMZLDBQESNCLI-UHFFFAOYSA-N 0 0 412.254 4.275 20 5 HIBDRN CCOc1cc(NC(=O)c2cc(Cl)cc3c2OCC3)c([N+](=O)[O-])cc1OCC ZINC000462433174 875538523 /nfs/dbraw/zinc/53/85/23/875538523.db2.gz RFPQQRDKVDBTNZ-UHFFFAOYSA-N 0 0 406.822 4.233 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000462435553 875541142 /nfs/dbraw/zinc/54/11/42/875541142.db2.gz GOEVQAFKIPDKFX-UHFFFAOYSA-N 0 0 419.528 4.323 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000462440643 875546934 /nfs/dbraw/zinc/54/69/34/875546934.db2.gz SRCNHEBYOFVMSA-RDJZCZTQSA-N 0 0 409.486 4.389 20 5 HIBDRN Cc1occc1-c1nnc(Sc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)n1C ZINC000462445713 875551106 /nfs/dbraw/zinc/55/11/06/875551106.db2.gz NIPVIFYESYRHMV-UHFFFAOYSA-N 0 0 423.454 4.417 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]1c1ccccc1 ZINC000462455520 875561748 /nfs/dbraw/zinc/56/17/48/875561748.db2.gz DNCZGXHEGNGVJR-AWEZNQCLSA-N 0 0 401.271 4.427 20 5 HIBDRN CN(Cc1cccc(Cl)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462467068 875573048 /nfs/dbraw/zinc/57/30/48/875573048.db2.gz 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COc1cc(Cc2nc(=O)c3c4c(sc3[nH]2)CCCCC4)c([N+](=O)[O-])c(OC)c1 ZINC000462508732 875624949 /nfs/dbraw/zinc/62/49/49/875624949.db2.gz GQEMRKGVFMZBCD-UHFFFAOYSA-N 0 0 415.471 4.182 20 5 HIBDRN CCN(CCc1ccccc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462538710 875660878 /nfs/dbraw/zinc/66/08/78/875660878.db2.gz LJYNNVLCOSCAKQ-UHFFFAOYSA-N 0 0 403.287 4.155 20 5 HIBDRN COCCCCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1C ZINC000462560933 875688764 /nfs/dbraw/zinc/68/87/64/875688764.db2.gz XOXOTYJDCWCLMS-UHFFFAOYSA-N 0 0 406.504 4.224 20 5 HIBDRN Cc1ccc(CCN(Cc2ccco2)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000462580902 875701897 /nfs/dbraw/zinc/70/18/97/875701897.db2.gz SISZVOKAMROYLY-UHFFFAOYSA-N 0 0 414.483 4.071 20 5 HIBDRN Cc1cc(NC(=O)Cc2csc(-c3ccccc3)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462584464 875703452 /nfs/dbraw/zinc/70/34/52/875703452.db2.gz JZMSFTLCHXRSLB-UHFFFAOYSA-N 0 0 404.451 4.178 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000462587607 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ZINC000463315482 876373249 /nfs/dbraw/zinc/37/32/49/876373249.db2.gz PAILRILTOBUPMC-HNNXBMFYSA-N 0 0 410.348 4.424 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000463332617 876389054 /nfs/dbraw/zinc/38/90/54/876389054.db2.gz BVVJQXWYKOKHNK-KOMQPUFPSA-N 0 0 404.264 4.103 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000468961436 883026324 /nfs/dbraw/zinc/02/63/24/883026324.db2.gz MQDBYKKXVSHELH-VIFPVBQESA-N 0 0 412.215 4.388 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000463380736 876436515 /nfs/dbraw/zinc/43/65/15/876436515.db2.gz XJKOIEZXTWZSJE-UHFFFAOYSA-N 0 0 424.379 4.074 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000468964510 883030311 /nfs/dbraw/zinc/03/03/11/883030311.db2.gz OKWGWYDPDVXJEU-OAHLLOKOSA-N 0 0 405.227 4.431 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCn2c(cc3ccccc32)C1 ZINC000463406141 876460439 /nfs/dbraw/zinc/46/04/39/876460439.db2.gz UFJYASFJTJRMEM-UHFFFAOYSA-N 0 0 418.375 4.294 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCn2c(cc3ccccc32)C1 ZINC000463489683 876549081 /nfs/dbraw/zinc/54/90/81/876549081.db2.gz GGMJTQHOHYHDFZ-UHFFFAOYSA-N 0 0 402.357 4.199 20 5 HIBDRN CC(C)OC(=O)C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000463496264 876554373 /nfs/dbraw/zinc/55/43/73/876554373.db2.gz LMEVXAYWJVOAKF-GOSISDBHSA-N 0 0 413.474 4.127 20 5 HIBDRN Cc1cc(NC(=O)[C@@H]2SCCc3sccc32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463538727 876617503 /nfs/dbraw/zinc/61/75/03/876617503.db2.gz BJWRUCSFTVCRJC-QGZVFWFLSA-N 0 0 400.485 4.120 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(Br)c2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463544569 876627652 /nfs/dbraw/zinc/62/76/52/876627652.db2.gz GUBYNWJZXROLJF-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1cc(F)c(Cl)cc1F ZINC000468984800 883051887 /nfs/dbraw/zinc/05/18/87/883051887.db2.gz JTLKJQFTPFGKGE-UHFFFAOYSA-N 0 0 419.609 4.148 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1c(Cl)cccc1I ZINC000463598312 876712845 /nfs/dbraw/zinc/71/28/45/876712845.db2.gz PEUMLAJWAYGSGS-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN CC[C@H](C)N(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C(N)=O)cc1 ZINC000463599850 876714208 /nfs/dbraw/zinc/71/42/08/876714208.db2.gz IGFHVRRFEZKVCP-NSHDSACASA-N 0 0 409.364 4.158 20 5 HIBDRN Cc1c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cccc1C(=O)Nc1ccccc1 ZINC000463620483 876739459 /nfs/dbraw/zinc/73/94/59/876739459.db2.gz AEJVHDIGYCMELV-UHFFFAOYSA-N 0 0 418.453 4.230 20 5 HIBDRN CN(CC(=O)Nc1cccc(CSc2ccccn2)c1)c1ccccc1[N+](=O)[O-] ZINC000463647373 876768316 /nfs/dbraw/zinc/76/83/16/876768316.db2.gz DPGDAYLDMUSGDX-UHFFFAOYSA-N 0 0 408.483 4.357 20 5 HIBDRN O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463726091 876846655 /nfs/dbraw/zinc/84/66/55/876846655.db2.gz DCTHZMYGJNOCHO-AWEZNQCLSA-N 0 0 411.355 4.152 20 5 HIBDRN O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000463731048 876851941 /nfs/dbraw/zinc/85/19/41/876851941.db2.gz QUOQZGUWXBESMG-UHFFFAOYSA-N 0 0 417.469 4.385 20 5 HIBDRN CN(C(=O)COc1c(F)cccc1[N+](=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000463802765 876921151 /nfs/dbraw/zinc/92/11/51/876921151.db2.gz UZTQUFLVKNWFGE-NRFANRHFSA-N 0 0 412.392 4.500 20 5 HIBDRN CCO[C@H](C)c1ncc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)s1 ZINC000463847445 876970355 /nfs/dbraw/zinc/97/03/55/876970355.db2.gz GNXGHYLFMSCUKA-LLVKDONJSA-N 0 0 417.409 4.354 20 5 HIBDRN Cc1ccc(O[C@@H](C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000463914220 877035079 /nfs/dbraw/zinc/03/50/79/877035079.db2.gz FPPLARNBJHOQJP-SFHVURJKSA-N 0 0 400.478 4.047 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000463937076 877058561 /nfs/dbraw/zinc/05/85/61/877058561.db2.gz YNYUHFXQYXGIDB-UHFFFAOYSA-N 0 0 410.449 4.190 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000463947530 877068595 /nfs/dbraw/zinc/06/85/95/877068595.db2.gz GTHGWBOAUGGTJO-GOSISDBHSA-N 0 0 421.400 4.418 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000463953283 877075111 /nfs/dbraw/zinc/07/51/11/877075111.db2.gz HDQDSGJYSRVNTN-UHFFFAOYSA-N 0 0 411.462 4.030 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000463953422 877075564 /nfs/dbraw/zinc/07/55/64/877075564.db2.gz VNOBZDUXSGKSOP-UHFFFAOYSA-N 0 0 404.854 4.405 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1Br ZINC000463954450 877077137 /nfs/dbraw/zinc/07/71/37/877077137.db2.gz ZFGPBFKJOQYGKC-UHFFFAOYSA-N 0 0 408.252 4.304 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000463954110 877077149 /nfs/dbraw/zinc/07/71/49/877077149.db2.gz YGDGAZQXTREDOR-UHFFFAOYSA-N 0 0 419.441 4.181 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000463956481 877079977 /nfs/dbraw/zinc/07/99/77/877079977.db2.gz WVIGVJVSZVEAOK-UHFFFAOYSA-N 0 0 405.401 4.317 20 5 HIBDRN COc1ccccc1-c1noc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000463958865 877082763 /nfs/dbraw/zinc/08/27/63/877082763.db2.gz NZRNLNABTGVZMP-CYBMUJFWSA-N 0 0 411.418 4.153 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccc(Cl)cc1 ZINC000463959305 877082890 /nfs/dbraw/zinc/08/28/90/877082890.db2.gz BVYHEROPEHHOMA-INIZCTEOSA-N 0 0 405.838 4.291 20 5 HIBDRN COCCCN(CCc1ccc(OC)cc1)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000463975049 877102757 /nfs/dbraw/zinc/10/27/57/877102757.db2.gz JOAAMKZGBYOTAR-UHFFFAOYSA-N 0 0 415.490 4.333 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC000463997795 877133723 /nfs/dbraw/zinc/13/37/23/877133723.db2.gz QHWYGGMMXQUGPM-HNNXBMFYSA-N 0 0 408.376 4.293 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000464013001 877147724 /nfs/dbraw/zinc/14/77/24/877147724.db2.gz OLCLDXKDUHGNJH-FQEVSTJZSA-N 0 0 413.449 4.337 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000464025597 877161142 /nfs/dbraw/zinc/16/11/42/877161142.db2.gz QCIBKBFDGPZVAD-OAQYLSRUSA-N 0 0 421.428 4.195 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000464029453 877165803 /nfs/dbraw/zinc/16/58/03/877165803.db2.gz RWWWGNORBSQWHU-MRXNPFEDSA-N 0 0 418.453 4.090 20 5 HIBDRN CCCC[C@@H](NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000464031543 877166739 /nfs/dbraw/zinc/16/67/39/877166739.db2.gz LTPUVIJMYBWUEK-GOSISDBHSA-N 0 0 413.474 4.206 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000464044762 877183944 /nfs/dbraw/zinc/18/39/44/877183944.db2.gz SZCVMIGEPCBEOE-RNRVQEDPSA-N 0 0 415.877 4.317 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000464044765 877184197 /nfs/dbraw/zinc/18/41/97/877184197.db2.gz SZCVMIGEPCBEOE-XGINMYPSSA-N 0 0 415.877 4.317 20 5 HIBDRN COc1cc(CNc2ccc(C(=O)NC3CCCCC3)cc2)c([N+](=O)[O-])cc1F ZINC000464074384 877224426 /nfs/dbraw/zinc/22/44/26/877224426.db2.gz AOPPLFWPNCMZEF-UHFFFAOYSA-N 0 0 401.438 4.417 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)ccc1[N+](=O)[O-] ZINC000464097023 877252879 /nfs/dbraw/zinc/25/28/79/877252879.db2.gz CYTIEMBSFHMFIA-UHFFFAOYSA-N 0 0 405.458 4.064 20 5 HIBDRN CCC1(C)CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000464114763 877270615 /nfs/dbraw/zinc/27/06/15/877270615.db2.gz DSCOUKOVEBKKGA-UHFFFAOYSA-N 0 0 405.501 4.005 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464134007 877292756 /nfs/dbraw/zinc/29/27/56/877292756.db2.gz IWYPXCCJJYSUPR-LBPRGKRZSA-N 0 0 407.902 4.111 20 5 HIBDRN CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000503239016 912218749 /nfs/dbraw/zinc/21/87/49/912218749.db2.gz FQFUBEQAZPHUNV-HNNXBMFYSA-N 0 0 414.462 4.265 20 5 HIBDRN Cc1ccc([C@@H]2C[C@H](C)CCN2S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)o1 ZINC000464205244 877375201 /nfs/dbraw/zinc/37/52/01/877375201.db2.gz HMCSXXJMOBQWIF-DYVFJYSZSA-N 0 0 415.471 4.206 20 5 HIBDRN O=C(N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000464217788 877386640 /nfs/dbraw/zinc/38/66/40/877386640.db2.gz ZPCDKCWETIIHQQ-LJQANCHMSA-N 0 0 414.801 4.132 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(F)cc2)c2ncccc12 ZINC000464220426 877392673 /nfs/dbraw/zinc/39/26/73/877392673.db2.gz VSXPVBPWJUADHH-KRWDZBQOSA-N 0 0 415.446 4.198 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000464243859 877421430 /nfs/dbraw/zinc/42/14/30/877421430.db2.gz XRTZFZZAURZYMK-NSHDSACASA-N 0 0 423.311 4.417 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464272703 877458069 /nfs/dbraw/zinc/45/80/69/877458069.db2.gz DOROPUZSPUJTOI-DGCLKSJQSA-N 0 0 408.886 4.153 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000503262838 912243492 /nfs/dbraw/zinc/24/34/92/912243492.db2.gz HOTHPTWSZWOZAP-JOCHJYFZSA-N 0 0 402.454 4.392 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1OC ZINC000464330735 877521725 /nfs/dbraw/zinc/52/17/25/877521725.db2.gz TXBRPKWTQMDMPM-OAHLLOKOSA-N 0 0 416.499 4.257 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000464348397 877541299 /nfs/dbraw/zinc/54/12/99/877541299.db2.gz BIBSDCBMRSQIJR-MRXNPFEDSA-N 0 0 408.483 4.035 20 5 HIBDRN Cc1nc(C)c(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)nc1C ZINC000464415329 877622131 /nfs/dbraw/zinc/62/21/31/877622131.db2.gz VOFUAOILAONMPT-UHFFFAOYSA-N 0 0 418.413 4.008 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3nc4ccc(F)cc4n3C)cc2[N+](=O)[O-])CC1 ZINC000464434340 877647435 /nfs/dbraw/zinc/64/74/35/877647435.db2.gz SSMIJSWPMFPWAY-UHFFFAOYSA-N 0 0 411.437 4.109 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cccc2Cl)n1C ZINC000464456302 877675823 /nfs/dbraw/zinc/67/58/23/877675823.db2.gz BDMIDKHGWMXVMJ-UHFFFAOYSA-N 0 0 420.878 4.126 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000464458090 877677377 /nfs/dbraw/zinc/67/73/77/877677377.db2.gz FCHNXUKROAGRBW-NWDGAFQWSA-N 0 0 400.818 4.122 20 5 HIBDRN COc1cc(CN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])cc1F ZINC000464480796 877701553 /nfs/dbraw/zinc/70/15/53/877701553.db2.gz MLMCQLZJMGWGFE-GOSISDBHSA-N 0 0 414.355 4.335 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000464508115 877732247 /nfs/dbraw/zinc/73/22/47/877732247.db2.gz KQAGXOKNZKJWFI-QGZVFWFLSA-N 0 0 405.401 4.317 20 5 HIBDRN O=C(NCCCn1cccn1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000464548495 877763834 /nfs/dbraw/zinc/76/38/34/877763834.db2.gz KQYXURSXJHBBJS-UHFFFAOYSA-N 0 0 416.890 4.416 20 5 HIBDRN COc1cc(CN2C[C@H]3CCC(=O)c4cccc2c43)c([N+](=O)[O-])cc1OC(F)F ZINC000464624078 877843299 /nfs/dbraw/zinc/84/32/99/877843299.db2.gz PMXROIVKNGLVFA-LLVKDONJSA-N 0 0 404.369 4.285 20 5 HIBDRN COc1ccc(C2(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)CCCC2)cc1 ZINC000464626391 877844639 /nfs/dbraw/zinc/84/46/39/877844639.db2.gz DZRAHFQJAUCUJK-UHFFFAOYSA-N 0 0 424.497 4.485 20 5 HIBDRN C[C@@H](CCc1ccccc1F)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464638375 877855359 /nfs/dbraw/zinc/85/53/59/877855359.db2.gz LFWYWMQFIWSVNW-INIZCTEOSA-N 0 0 400.450 4.373 20 5 HIBDRN O=C(c1ccc(Oc2ccccc2)nc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464643966 877862405 /nfs/dbraw/zinc/86/24/05/877862405.db2.gz QCRMWXQIQFZSNC-UHFFFAOYSA-N 0 0 419.437 4.466 20 5 HIBDRN O=C(c1ccc(Oc2cccnc2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464646145 877864881 /nfs/dbraw/zinc/86/48/81/877864881.db2.gz WJPXOZPCNWOMJN-UHFFFAOYSA-N 0 0 419.437 4.466 20 5 HIBDRN O=C(CCCOCCc1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464658654 877880157 /nfs/dbraw/zinc/88/01/57/877880157.db2.gz IEXVBWGBYAITAW-UHFFFAOYSA-N 0 0 412.486 4.004 20 5 HIBDRN O=C(CCc1ccnc2ccccc12)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464660075 877880484 /nfs/dbraw/zinc/88/04/84/877880484.db2.gz IHIQGVCPIYSANO-UHFFFAOYSA-N 0 0 405.454 4.146 20 5 HIBDRN O=C(Cc1csc(-c2ccccc2)n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464662459 877883304 /nfs/dbraw/zinc/88/33/04/877883304.db2.gz LPDJCVACXVJQMZ-UHFFFAOYSA-N 0 0 423.494 4.331 20 5 HIBDRN Cc1cc(C(F)(F)F)ncc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000464664411 877884565 /nfs/dbraw/zinc/88/45/65/877884565.db2.gz CQPJJAOEFWRLQC-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000464674150 877892166 /nfs/dbraw/zinc/89/21/66/877892166.db2.gz YGGRZNIHCFDAKE-HXUWFJFHSA-N 0 0 416.905 4.349 20 5 HIBDRN CCN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000464692021 877906865 /nfs/dbraw/zinc/90/68/65/877906865.db2.gz REZYXSRKYCLLLB-GOSISDBHSA-N 0 0 403.523 4.251 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCOC[C@@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000464702366 877921804 /nfs/dbraw/zinc/92/18/04/877921804.db2.gz HXGOJSWQDZNDIN-IEGUWTFLSA-N 0 0 423.513 4.291 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)cc1SC ZINC000464703586 877922696 /nfs/dbraw/zinc/92/26/96/877922696.db2.gz ZTYJFEQIEYPUSD-NSHDSACASA-N 0 0 420.491 4.247 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1SCC(=O)NC(C)C ZINC000464706352 877929161 /nfs/dbraw/zinc/92/91/61/877929161.db2.gz DLIWLRXDZKMPQR-UHFFFAOYSA-N 0 0 401.488 4.026 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Br)cc1C(C)=O ZINC000464710319 877934035 /nfs/dbraw/zinc/93/40/35/877934035.db2.gz KRJWUOVTFNYQLH-UHFFFAOYSA-N 0 0 421.247 4.140 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000464711965 877936258 /nfs/dbraw/zinc/93/62/58/877936258.db2.gz NYEYBYCWVDAOJD-IBGZPJMESA-N 0 0 417.874 4.378 20 5 HIBDRN CCSCC[C@@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000464713474 877938477 /nfs/dbraw/zinc/93/84/77/877938477.db2.gz WBCIIZUPWRPFOB-CABCVRRESA-N 0 0 402.520 4.424 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1scc(C)c1I ZINC000464719955 877947445 /nfs/dbraw/zinc/94/74/45/877947445.db2.gz NFSBOPNMDMCHPQ-UHFFFAOYSA-N 0 0 416.240 4.384 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000464722791 877950321 /nfs/dbraw/zinc/95/03/21/877950321.db2.gz JDMGZXGWRFKTAL-SFHVURJKSA-N 0 0 403.866 4.204 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000503311634 912292875 /nfs/dbraw/zinc/29/28/75/912292875.db2.gz CCPBRHRMXBVKKB-UHFFFAOYSA-N 0 0 410.405 4.040 20 5 HIBDRN COc1ccc(Br)cc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464769811 878013149 /nfs/dbraw/zinc/01/31/49/878013149.db2.gz AMZPRBIVGGISON-UHFFFAOYSA-N 0 0 421.291 4.409 20 5 HIBDRN CCOc1ccc(-c2noc(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 ZINC000464777431 878019241 /nfs/dbraw/zinc/01/92/41/878019241.db2.gz PABSHRZYMFVLLE-UHFFFAOYSA-N 0 0 424.457 4.087 20 5 HIBDRN CC(C)(C)c1ccccc1NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464777504 878021284 /nfs/dbraw/zinc/02/12/84/878021284.db2.gz QHFOFMBFEGDNCY-UHFFFAOYSA-N 0 0 411.502 4.374 20 5 HIBDRN O=[N+]([O-])c1ccc(OC2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000464780384 878023873 /nfs/dbraw/zinc/02/38/73/878023873.db2.gz WNXUWJXRXWWUMQ-UHFFFAOYSA-N 0 0 414.849 4.342 20 5 HIBDRN O=[N+]([O-])c1ccc(OC2CCN(Cc3nnc(-c4cccc(Cl)c4)o3)CC2)cc1 ZINC000464780400 878025149 /nfs/dbraw/zinc/02/51/49/878025149.db2.gz WTEKNMUENMKDKV-UHFFFAOYSA-N 0 0 414.849 4.342 20 5 HIBDRN CC(C)OCc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)cc1 ZINC000464802698 878046545 /nfs/dbraw/zinc/04/65/45/878046545.db2.gz QOSVRXRJPFFEDZ-UHFFFAOYSA-N 0 0 408.454 4.368 20 5 HIBDRN Cc1nc2sccn2c1CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000464808764 878056732 /nfs/dbraw/zinc/05/67/32/878056732.db2.gz LDGYUNKDNBCCTL-UHFFFAOYSA-N 0 0 413.484 4.008 20 5 HIBDRN CCOc1cc(C(=O)Nc2cccc(Oc3ccccn3)c2)c([N+](=O)[O-])cc1OC ZINC000464886825 878184560 /nfs/dbraw/zinc/18/45/60/878184560.db2.gz PUTJWTARVHMLPI-UHFFFAOYSA-N 0 0 409.398 4.442 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCc3cccc(Br)c3C2)cc1[N+](=O)[O-] ZINC000464909080 878225971 /nfs/dbraw/zinc/22/59/71/878225971.db2.gz LNPUUIVJGRAYTB-CYBMUJFWSA-N 0 0 418.291 4.495 20 5 HIBDRN C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-n2cccn2)cc1 ZINC000464979924 878325999 /nfs/dbraw/zinc/32/59/99/878325999.db2.gz GGUWOPXTUZVRRE-CQSZACIVSA-N 0 0 419.466 4.395 20 5 HIBDRN CCOc1cc(C(=O)NCc2ccc(C)cc2O[C@@H](C)CC)c([N+](=O)[O-])cc1OC ZINC000464998883 878352485 /nfs/dbraw/zinc/35/24/85/878352485.db2.gz XNXPHZLMCRQPKA-HNNXBMFYSA-N 0 0 416.474 4.418 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000465013409 878373290 /nfs/dbraw/zinc/37/32/90/878373290.db2.gz RLCIBJZVHWOOLF-UHFFFAOYSA-N 0 0 421.183 4.198 20 5 HIBDRN COC(=O)c1cc(O[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] ZINC000465017117 878380044 /nfs/dbraw/zinc/38/00/44/878380044.db2.gz KRIORLSVHVXHQZ-JTQLQIEISA-N 0 0 403.778 4.225 20 5 HIBDRN C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(-c2ccccc2)cc1 ZINC000465028238 878391647 /nfs/dbraw/zinc/39/16/47/878391647.db2.gz BDPHHBLGMZYSGA-INIZCTEOSA-N 0 0 418.449 4.453 20 5 HIBDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465037841 878399357 /nfs/dbraw/zinc/39/93/57/878399357.db2.gz PEQKORYLQJXEGD-GFCCVEGCSA-N 0 0 424.375 4.147 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCc4c3cccc4Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000465040629 878402839 /nfs/dbraw/zinc/40/28/39/878402839.db2.gz BZJMBMKXLKOMJT-UHFFFAOYSA-N 0 0 410.861 4.313 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccccc2OC(F)(F)F)c1 ZINC000465081871 878443293 /nfs/dbraw/zinc/44/32/93/878443293.db2.gz ZTFNZMUGAYNTJU-UHFFFAOYSA-N 0 0 400.378 4.188 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(=Cc3ccccc3F)CC2)cc1OC ZINC000465083347 878444846 /nfs/dbraw/zinc/44/48/46/878444846.db2.gz FPMPDEAPHYXXQP-UHFFFAOYSA-N 0 0 414.433 4.461 20 5 HIBDRN Cc1c(CSC(C)C)cccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465106935 878482234 /nfs/dbraw/zinc/48/22/34/878482234.db2.gz ARZLIBFFOLCQAC-UHFFFAOYSA-N 0 0 416.499 4.497 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N(C)CCOCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000465108542 878483611 /nfs/dbraw/zinc/48/36/11/878483611.db2.gz GGVWIDDGMIXFKP-SFHVURJKSA-N 0 0 411.502 4.120 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(CCc1ccccc1)c1ccccc1 ZINC000465172184 878557628 /nfs/dbraw/zinc/55/76/28/878557628.db2.gz GKSMATJLQLHLIE-UHFFFAOYSA-N 0 0 418.449 4.184 20 5 HIBDRN C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000465209084 878618644 /nfs/dbraw/zinc/61/86/44/878618644.db2.gz XGIONARMDGGPEN-CQSZACIVSA-N 0 0 414.849 4.080 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000465270205 878700578 /nfs/dbraw/zinc/70/05/78/878700578.db2.gz OOVPLXSCJCWPFG-JTQLQIEISA-N 0 0 403.382 4.350 20 5 HIBDRN COc1ccc(OC(F)F)c(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000465272494 878704731 /nfs/dbraw/zinc/70/47/31/878704731.db2.gz ASQROSOVSIBKSZ-UHFFFAOYSA-N 0 0 423.416 4.325 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000465308187 878754225 /nfs/dbraw/zinc/75/42/25/878754225.db2.gz QESCCKMEAAVASH-AWEZNQCLSA-N 0 0 419.503 4.147 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000465320281 878763386 /nfs/dbraw/zinc/76/33/86/878763386.db2.gz VZPLWIXXJOLUBX-ZDUSSCGKSA-N 0 0 423.391 4.214 20 5 HIBDRN COc1ccc(C2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000465384068 878825020 /nfs/dbraw/zinc/82/50/20/878825020.db2.gz ZSLAWZAOHVDBHH-AWEZNQCLSA-N 0 0 418.877 4.430 20 5 HIBDRN CC(=O)c1ccc(Br)cc1OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000465387979 878828635 /nfs/dbraw/zinc/82/86/35/878828635.db2.gz LHYFUAHRDOKZCR-UHFFFAOYSA-N 0 0 418.203 4.189 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])CCCC2 ZINC000465517249 878964644 /nfs/dbraw/zinc/96/46/44/878964644.db2.gz CAFJJILUQRXHOA-UHFFFAOYSA-N 0 0 402.472 4.317 20 5 HIBDRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000465703753 879268931 /nfs/dbraw/zinc/26/89/31/879268931.db2.gz BRWVSYQMFUUHCM-RHSMWYFYSA-N 0 0 401.463 4.442 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000465724551 879301152 /nfs/dbraw/zinc/30/11/52/879301152.db2.gz SIDHAMDMHVQVBM-XGINMYPSSA-N 0 0 403.866 4.453 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000465812793 879432755 /nfs/dbraw/zinc/43/27/55/879432755.db2.gz NVBWIUYGHCZWHB-QGZVFWFLSA-N 0 0 405.401 4.116 20 5 HIBDRN CCc1nc(C)c([C@H](C)N(C)C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000465984307 879657342 /nfs/dbraw/zinc/65/73/42/879657342.db2.gz DHPHKHAXMRLKSF-HNNXBMFYSA-N 0 0 419.551 4.435 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])cc1OCC ZINC000466120922 879834226 /nfs/dbraw/zinc/83/42/26/879834226.db2.gz SXGIIIWCMZZJDE-KRWDZBQOSA-N 0 0 420.491 4.430 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)c2cccs2)c1 ZINC000466147861 879856047 /nfs/dbraw/zinc/85/60/47/879856047.db2.gz RTQCIFIUDIQCFF-UHFFFAOYSA-N 0 0 410.455 4.273 20 5 HIBDRN Cc1ccc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000466224694 879922386 /nfs/dbraw/zinc/92/23/86/879922386.db2.gz GSHJHGQQJZALAN-OXQOHEQNSA-N 0 0 413.474 4.021 20 5 HIBDRN O=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccc([N+](=O)[O-])cc1F ZINC000466246687 879960951 /nfs/dbraw/zinc/96/09/51/879960951.db2.gz IVSKSTWUYJOJRG-AWEZNQCLSA-N 0 0 411.458 4.393 20 5 HIBDRN O=C(Nc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1)c1cccs1 ZINC000466272110 880007748 /nfs/dbraw/zinc/00/77/48/880007748.db2.gz LOJPUUFSDWHAEB-UHFFFAOYSA-N 0 0 415.858 4.492 20 5 HIBDRN O=C(CCCCCNC(=O)NC1CCCCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466282185 880021499 /nfs/dbraw/zinc/02/14/99/880021499.db2.gz AMXJCJNKLSEABO-UHFFFAOYSA-N 0 0 424.929 4.057 20 5 HIBDRN COc1ccc(-c2cnc(CCC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000466299255 880046388 /nfs/dbraw/zinc/04/63/88/880046388.db2.gz 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ZINC000469092795 883181756 /nfs/dbraw/zinc/18/17/56/883181756.db2.gz UEFGOTSYYCTQEK-UHFFFAOYSA-N 0 0 420.252 4.166 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccccc2CN(C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000469097004 883187332 /nfs/dbraw/zinc/18/73/32/883187332.db2.gz RPQOTOSIGHMYEE-UHFFFAOYSA-N 0 0 407.474 4.073 20 5 HIBDRN CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000469197571 883297787 /nfs/dbraw/zinc/29/77/87/883297787.db2.gz NVRAYVTVSJPTLZ-UHFFFAOYSA-N 0 0 406.442 4.171 20 5 HIBDRN Cc1ccn(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000469222532 883323476 /nfs/dbraw/zinc/32/34/76/883323476.db2.gz ZNLIHDMTSQPOLE-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000469265861 883361805 /nfs/dbraw/zinc/36/18/05/883361805.db2.gz QLEZUHALTMTMML-AWEZNQCLSA-N 0 0 413.503 4.141 20 5 HIBDRN C[C@]1(Cc2ccccc2)CCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000469355467 883477700 /nfs/dbraw/zinc/47/77/00/883477700.db2.gz 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HIBDRN CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 ZINC000469488415 883725320 /nfs/dbraw/zinc/72/53/20/883725320.db2.gz SFILDPOFPZHMJI-GOEBONIOSA-N 0 0 417.535 4.209 20 5 HIBDRN Cc1cccc([C@@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000469531689 883802785 /nfs/dbraw/zinc/80/27/85/883802785.db2.gz UREWSENKFJUDFB-OAQYLSRUSA-N 0 0 423.469 4.074 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000469559999 883814640 /nfs/dbraw/zinc/81/46/40/883814640.db2.gz GMDNNFZCKUGIQC-ZANVPECISA-N 0 0 414.293 4.011 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nc1 ZINC000469562257 883815206 /nfs/dbraw/zinc/81/52/06/883815206.db2.gz OCAFIZBQXYSXIL-CYBMUJFWSA-N 0 0 422.285 4.000 20 5 HIBDRN CCOc1cc(Cl)ccc1NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000469605370 883831911 /nfs/dbraw/zinc/83/19/11/883831911.db2.gz SFNMUGBQISUUMT-UHFFFAOYSA-N 0 0 423.853 4.028 20 5 HIBDRN CCOc1cc(C(=O)N(CC)[C@H](CC)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000469710660 883882613 /nfs/dbraw/zinc/88/26/13/883882613.db2.gz OZFZNXRQFQCGKG-QGZVFWFLSA-N 0 0 400.475 4.486 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000469716146 883884090 /nfs/dbraw/zinc/88/40/90/883884090.db2.gz CZRHDQMFDQGOLG-INIZCTEOSA-N 0 0 419.551 4.416 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000503665093 912769981 /nfs/dbraw/zinc/76/99/81/912769981.db2.gz COYUIYNQDUEMJC-CYBMUJFWSA-N 0 0 418.375 4.160 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s1 ZINC000469877939 884068841 /nfs/dbraw/zinc/06/88/41/884068841.db2.gz IONYITMUVQJVKT-UHFFFAOYSA-N 0 0 424.360 4.415 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Nc2cc(-c3nc(C)co3)ccc2C)c([N+](=O)[O-])c1 ZINC000469884692 884076262 /nfs/dbraw/zinc/07/62/62/884076262.db2.gz PKRCHHYRKQRZLC-CQSZACIVSA-N 0 0 410.430 4.314 20 5 HIBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@@H](O)C1CC1 ZINC000469893539 884084432 /nfs/dbraw/zinc/08/44/32/884084432.db2.gz OXIUTEDLKFRDEP-JVCXIRSZSA-N 0 0 423.494 4.022 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)Cc1ccc(C)cc1 ZINC000469918714 884109367 /nfs/dbraw/zinc/10/93/67/884109367.db2.gz QGGVGUNJIZDCLK-QGZVFWFLSA-N 0 0 402.516 4.129 20 5 HIBDRN C[C@@H](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(C(F)(F)F)c1 ZINC000470011255 884226700 /nfs/dbraw/zinc/22/67/00/884226700.db2.gz IMCHSJKDEXCFJB-LBPRGKRZSA-N 0 0 424.375 4.308 20 5 HIBDRN O=C(Nc1sc2c(c1C(=O)c1cccnc1)CCC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000470023593 884241682 /nfs/dbraw/zinc/24/16/82/884241682.db2.gz CKPHXSOWQRJOCX-UHFFFAOYSA-N 0 0 411.414 4.162 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc4c3OCCC4=O)cc2[N+](=O)[O-])C1 ZINC000503703165 912802872 /nfs/dbraw/zinc/80/28/72/912802872.db2.gz QWCYXIXRHIYSJH-CQSZACIVSA-N 0 0 409.442 4.049 20 5 HIBDRN Cc1cnc(C2CCN(C(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)CC2)s1 ZINC000470061763 884312493 /nfs/dbraw/zinc/31/24/93/884312493.db2.gz KXGJYPWYDVFOAO-UHFFFAOYSA-N 0 0 424.320 4.450 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000470116208 884376350 /nfs/dbraw/zinc/37/63/50/884376350.db2.gz SZMQHYQQNQQBMW-AWEZNQCLSA-N 0 0 410.199 4.142 20 5 HIBDRN C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000470117608 884378058 /nfs/dbraw/zinc/37/80/58/884378058.db2.gz NCDZAFCAHLJQSW-VIFPVBQESA-N 0 0 405.773 4.320 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000470132155 884395737 /nfs/dbraw/zinc/39/57/37/884395737.db2.gz JTZAPAVDGVXBKK-GFCCVEGCSA-N 0 0 415.247 4.034 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000470132440 884397377 /nfs/dbraw/zinc/39/73/77/884397377.db2.gz KZXPMIPSCMASDC-INIZCTEOSA-N 0 0 413.327 4.358 20 5 HIBDRN CCOc1cc(NC(=O)NCCc2cccc3[nH]ccc32)c([N+](=O)[O-])cc1OCC ZINC000503773951 912821164 /nfs/dbraw/zinc/82/11/64/912821164.db2.gz AMKCZJPQIBDRHZ-UHFFFAOYSA-N 0 0 412.446 4.238 20 5 HIBDRN O=C(NCc1cccnc1Oc1cccc(F)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470146486 884414580 /nfs/dbraw/zinc/41/45/80/884414580.db2.gz JCPVLHYFUVBXIV-UHFFFAOYSA-N 0 0 400.341 4.382 20 5 HIBDRN O=C(NCc1ccc(N2CCc3ccccc3C2)nc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470150345 884419928 /nfs/dbraw/zinc/41/99/28/884419928.db2.gz HLUFBOXWZYVZEB-UHFFFAOYSA-N 0 0 421.432 4.013 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000470153432 884423424 /nfs/dbraw/zinc/42/34/24/884423424.db2.gz SVICZTYGIKQHMB-UHFFFAOYSA-N 0 0 412.215 4.169 20 5 HIBDRN CCOc1cc(NC(=O)NC[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1OCC ZINC000503783917 912823230 /nfs/dbraw/zinc/82/32/30/912823230.db2.gz ROHBGGBGWYELHD-LBPRGKRZSA-N 0 0 401.410 4.339 20 5 HIBDRN C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000470171727 884451686 /nfs/dbraw/zinc/45/16/86/884451686.db2.gz NUIIGLVNJCPJHU-DNVCBOLYSA-N 0 0 403.504 4.151 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000470204881 884519769 /nfs/dbraw/zinc/51/97/69/884519769.db2.gz BOZXSHMKYZLRDG-XLIONFOSSA-N 0 0 404.470 4.436 20 5 HIBDRN CN(CC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000503839688 912837068 /nfs/dbraw/zinc/83/70/68/912837068.db2.gz KIAFWDHVXWRFEX-IBGZPJMESA-N 0 0 424.888 4.180 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000503874209 912848681 /nfs/dbraw/zinc/84/86/81/912848681.db2.gz OPESWMLCTXVBJX-LJQANCHMSA-N 0 0 410.861 4.155 20 5 HIBDRN Cc1cc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccc1Oc1cccnc1 ZINC000470339317 884726688 /nfs/dbraw/zinc/72/66/88/884726688.db2.gz XASHPBHJKVWDHX-UHFFFAOYSA-N 0 0 420.425 4.386 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H]3c3nncn3C)cc2[N+](=O)[O-])cc1 ZINC000503895973 912855356 /nfs/dbraw/zinc/85/53/56/912855356.db2.gz YNTGDQBQFJMCLO-QGZVFWFLSA-N 0 0 423.498 4.160 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)c2)oc1C ZINC000470347234 884738163 /nfs/dbraw/zinc/73/81/63/884738163.db2.gz VGQMHZLJTVVAGU-UHFFFAOYSA-N 0 0 408.414 4.162 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000470362216 884756240 /nfs/dbraw/zinc/75/62/40/884756240.db2.gz CXMSNNFTRAPHEE-INIZCTEOSA-N 0 0 414.531 4.062 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000470384617 884786462 /nfs/dbraw/zinc/78/64/62/884786462.db2.gz WMSSWQQDTGBKCD-GFCCVEGCSA-N 0 0 410.879 4.393 20 5 HIBDRN O=C(Nc1ccncc1[N+](=O)[O-])N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000470405777 884810571 /nfs/dbraw/zinc/81/05/71/884810571.db2.gz VONIRGNCLADTID-IBGZPJMESA-N 0 0 408.845 4.397 20 5 HIBDRN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000503929940 912869608 /nfs/dbraw/zinc/86/96/08/912869608.db2.gz OCCZXJIPAHSNCQ-WVBUVRCRSA-N 0 0 420.469 4.044 20 5 HIBDRN COc1cc(OC)cc(N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000470471698 884862406 /nfs/dbraw/zinc/86/24/06/884862406.db2.gz ATKLNTGOGKFABB-UHFFFAOYSA-N 0 0 424.403 4.253 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCOCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 ZINC000470633937 885061210 /nfs/dbraw/zinc/06/12/10/885061210.db2.gz PKWXCIMQPOYTJM-MRXNPFEDSA-N 0 0 418.453 4.340 20 5 HIBDRN COc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc1[N+](=O)[O-] ZINC000470640140 885065549 /nfs/dbraw/zinc/06/55/49/885065549.db2.gz YFHBRJBABNCZKP-UHFFFAOYSA-N 0 0 408.798 4.167 20 5 HIBDRN COc1ccc(Br)c(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000503980285 912894639 /nfs/dbraw/zinc/89/46/39/912894639.db2.gz XERIFINIWRAOII-UHFFFAOYSA-N 0 0 405.208 4.028 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000470659231 885082007 /nfs/dbraw/zinc/08/20/07/885082007.db2.gz DPWKCVQWIVUHCA-QMMMGPOBSA-N 0 0 423.800 4.149 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000470693935 885130789 /nfs/dbraw/zinc/13/07/89/885130789.db2.gz NVHHJAQIEOHJTA-UHFFFAOYSA-N 0 0 411.311 4.132 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1c(Cl)cccc1I ZINC000470707994 885144830 /nfs/dbraw/zinc/14/48/30/885144830.db2.gz QVCRDUAIMXQTLV-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000470708752 885146631 /nfs/dbraw/zinc/14/66/31/885146631.db2.gz DGHUDKGEZJOYDI-SDDDUWNISA-N 0 0 400.406 4.198 20 5 HIBDRN CCC1(CC)Oc2ccc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])cc2O1 ZINC000470725303 885173427 /nfs/dbraw/zinc/17/34/27/885173427.db2.gz FYJIRUAMIARQMF-UHFFFAOYSA-N 0 0 402.403 4.152 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cc4nccnc4cc3F)n2)cc1[N+](=O)[O-] ZINC000470732739 885185140 /nfs/dbraw/zinc/18/51/40/885185140.db2.gz KSPLSQWUWAYXNW-UHFFFAOYSA-N 0 0 409.402 4.361 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1ccc(-c2csc(C)n2)cc1 ZINC000470736097 885191101 /nfs/dbraw/zinc/19/11/01/885191101.db2.gz GJYCWCCEAHSBNW-UHFFFAOYSA-N 0 0 411.483 4.398 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1cc(Br)ccc1OC ZINC000470737874 885196123 /nfs/dbraw/zinc/19/61/23/885196123.db2.gz QZOVNEYFRQCCJO-UHFFFAOYSA-N 0 0 423.263 4.037 20 5 HIBDRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000470745354 885208941 /nfs/dbraw/zinc/20/89/41/885208941.db2.gz PCHUEJBCQZDTML-AWEZNQCLSA-N 0 0 408.410 4.315 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2ncn(Cc3cc(Br)cc4cccnc43)n2)c1 ZINC000470819666 885307318 /nfs/dbraw/zinc/30/73/18/885307318.db2.gz GWAJYTVFXIZTKH-UHFFFAOYSA-N 0 0 410.231 4.212 20 5 HIBDRN O=C(Cc1csc2ccc(Br)cc12)NCc1ccc([N+](=O)[O-])cc1 ZINC000470831210 885322312 /nfs/dbraw/zinc/32/23/12/885322312.db2.gz LPNPKWCPEYTLKD-UHFFFAOYSA-N 0 0 405.273 4.431 20 5 HIBDRN Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC000470862965 885353208 /nfs/dbraw/zinc/35/32/08/885353208.db2.gz BXALHLHBQXSRLT-ZFWWWQNUSA-N 0 0 412.918 4.058 20 5 HIBDRN Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000470867109 885356504 /nfs/dbraw/zinc/35/65/04/885356504.db2.gz RDSRAISUCIDRKU-KBPBESRZSA-N 0 0 412.918 4.058 20 5 HIBDRN O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470885418 885381058 /nfs/dbraw/zinc/38/10/58/885381058.db2.gz BMBXRHSMNPEDIB-UHFFFAOYSA-N 0 0 421.887 4.337 20 5 HIBDRN Cc1cc(CCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc(C)c1O ZINC000470889241 885385116 /nfs/dbraw/zinc/38/51/16/885385116.db2.gz PNCZBVYOFMAUJS-UHFFFAOYSA-N 0 0 422.431 4.254 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000470931698 885435830 /nfs/dbraw/zinc/43/58/30/885435830.db2.gz LNIVOFAZJXALQL-FZKQIMNGSA-N 0 0 404.850 4.249 20 5 HIBDRN COc1cc(F)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1OC ZINC000470945487 885444017 /nfs/dbraw/zinc/44/40/17/885444017.db2.gz BJFHWHXZAHRDIU-UHFFFAOYSA-N 0 0 417.418 4.435 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)c2c(OCC)cccc2[N+](=O)[O-])nc1C(C)C ZINC000471045115 885556502 /nfs/dbraw/zinc/55/65/02/885556502.db2.gz QMOAOKAEZRTPIW-UHFFFAOYSA-N 0 0 407.448 4.002 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504058042 912962691 /nfs/dbraw/zinc/96/26/91/912962691.db2.gz AHYKYIDGDHPXKA-UHFFFAOYSA-N 0 0 409.225 4.283 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000471150371 885696422 /nfs/dbraw/zinc/69/64/22/885696422.db2.gz FBZUGBBJCNIXFH-FZKQIMNGSA-N 0 0 404.850 4.249 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)cc1[N+](=O)[O-] ZINC000471180904 885746770 /nfs/dbraw/zinc/74/67/70/885746770.db2.gz IQLYLDOXQBMSJL-LBPRGKRZSA-N 0 0 407.854 4.346 20 5 HIBDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000471226270 885799986 /nfs/dbraw/zinc/79/99/86/885799986.db2.gz CLVNFRYMXIWWFU-UHFFFAOYSA-N 0 0 402.248 4.087 20 5 HIBDRN Cc1c2ccccc2n(C)c1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000471232736 885806744 /nfs/dbraw/zinc/80/67/44/885806744.db2.gz CAHJAKNWUDFJNN-UHFFFAOYSA-N 0 0 409.489 4.271 20 5 HIBDRN CCOc1cc(NC[C@H](c2ccccc2Cl)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000471252832 885831145 /nfs/dbraw/zinc/83/11/45/885831145.db2.gz UAXVNGNEZZCSKO-LJQANCHMSA-N 0 0 405.882 4.132 20 5 HIBDRN COCCCC[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000471329579 885927657 /nfs/dbraw/zinc/92/76/57/885927657.db2.gz RCTOOWHHRQAPBX-HXUWFJFHSA-N 0 0 408.458 4.068 20 5 HIBDRN CCc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000471350806 885964543 /nfs/dbraw/zinc/96/45/43/885964543.db2.gz ITDKOQJQTUKRTR-UHFFFAOYSA-N 0 0 419.437 4.427 20 5 HIBDRN Cc1c(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cccc1NC(=O)N(C)C ZINC000471351881 885969098 /nfs/dbraw/zinc/96/90/98/885969098.db2.gz MKYOSFZTXSZQDA-UHFFFAOYSA-N 0 0 410.352 4.268 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)cc1OC ZINC000471379459 886025880 /nfs/dbraw/zinc/02/58/80/886025880.db2.gz IQCKMWIIKBUEGI-QFIPXVFZSA-N 0 0 421.453 4.225 20 5 HIBDRN Cc1nnc(-c2cc(F)ccc2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000471391718 886039873 /nfs/dbraw/zinc/03/98/73/886039873.db2.gz KZJVRHGYOSKHAI-UHFFFAOYSA-N 0 0 421.182 4.107 20 5 HIBDRN CCc1ccc(C(=O)N(C)Cc2cc(OC)c(OC)cc2SC)cc1[N+](=O)[O-] ZINC000471414144 886069077 /nfs/dbraw/zinc/06/90/77/886069077.db2.gz VSVICUKVMXZMIH-UHFFFAOYSA-N 0 0 404.488 4.169 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cc(CCC(C)C)[nH]n3)cc2)c(C)c1[N+](=O)[O-] ZINC000471420165 886074495 /nfs/dbraw/zinc/07/44/95/886074495.db2.gz SABWRDCTWKWLQX-UHFFFAOYSA-N 0 0 410.478 4.020 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000471475946 886169405 /nfs/dbraw/zinc/16/94/05/886169405.db2.gz LLPWUKIBYJJEOR-UKRRQHHQSA-N 0 0 420.412 4.298 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000471483230 886180455 /nfs/dbraw/zinc/18/04/55/886180455.db2.gz ALXXJFOKEGNALB-QGZVFWFLSA-N 0 0 407.474 4.462 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000471520131 886222434 /nfs/dbraw/zinc/22/24/34/886222434.db2.gz CGDPPKMZQMNDQE-GXTWGEPZSA-N 0 0 424.375 4.410 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000471526590 886228657 /nfs/dbraw/zinc/22/86/57/886228657.db2.gz FWUHAEGYZNOHQA-UHFFFAOYSA-N 0 0 413.430 4.439 20 5 HIBDRN COC(=O)c1sc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)nc1C(C)(C)C ZINC000471563987 886273082 /nfs/dbraw/zinc/27/30/82/886273082.db2.gz UGJXUTUMFFTRDX-UHFFFAOYSA-N 0 0 405.476 4.052 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000471620794 886338410 /nfs/dbraw/zinc/33/84/10/886338410.db2.gz QZDOQXDRSDGUJK-UHFFFAOYSA-N 0 0 412.377 4.312 20 5 HIBDRN Cc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(-c2nc(C3CC3)no2)c1 ZINC000471643617 886358977 /nfs/dbraw/zinc/35/89/77/886358977.db2.gz JOIQBZRSAMDSHV-UHFFFAOYSA-N 0 0 417.425 4.424 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000471644499 886360357 /nfs/dbraw/zinc/36/03/57/886360357.db2.gz BZURYZDPQMKVRV-UHFFFAOYSA-N 0 0 421.388 4.255 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)c1 ZINC000471696067 886403662 /nfs/dbraw/zinc/40/36/62/886403662.db2.gz ZJQMSDBVDAIGSE-RTBURBONSA-N 0 0 400.500 4.430 20 5 HIBDRN CC(=O)Nc1cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc(C(F)(F)F)c1 ZINC000471787936 886523714 /nfs/dbraw/zinc/52/37/14/886523714.db2.gz AJLNITGIYPONIR-UHFFFAOYSA-N 0 0 407.348 4.165 20 5 HIBDRN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000471843335 886603176 /nfs/dbraw/zinc/60/31/76/886603176.db2.gz HMWHGZQRTSKFKH-INIZCTEOSA-N 0 0 421.457 4.004 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000471842784 886603901 /nfs/dbraw/zinc/60/39/01/886603901.db2.gz FUUREFWZTWCYLM-UHFFFAOYSA-N 0 0 406.364 4.014 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](COc2ccccc2)C1 ZINC000504182145 913066900 /nfs/dbraw/zinc/06/69/00/913066900.db2.gz DQXHHZWTYPADHA-HNNXBMFYSA-N 0 0 409.467 4.259 20 5 HIBDRN CCc1ccc(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)cc1[N+](=O)[O-] ZINC000471913946 886701591 /nfs/dbraw/zinc/70/15/91/886701591.db2.gz CHYJFZKOKCWYQH-UHFFFAOYSA-N 0 0 410.499 4.498 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000471940058 886738253 /nfs/dbraw/zinc/73/82/53/886738253.db2.gz NBCUQKVZCSWTGH-QFBILLFUSA-N 0 0 402.882 4.432 20 5 HIBDRN Cn1c2ccccc2nc1C(C)(C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000472005976 886830629 /nfs/dbraw/zinc/83/06/29/886830629.db2.gz DQGAIRUYLFAJPD-UHFFFAOYSA-N 0 0 424.504 4.093 20 5 HIBDRN CCc1ccc(C(=O)NCc2ccc(OCc3cccnc3)c(OC)c2)cc1[N+](=O)[O-] ZINC000472016219 886838926 /nfs/dbraw/zinc/83/89/26/886838926.db2.gz FNPWZVSZXGQWHS-UHFFFAOYSA-N 0 0 421.453 4.070 20 5 HIBDRN COc1ccc(CNC(=O)NC(C)(C)c2ccc(OCC(C)C)cc2)cc1[N+](=O)[O-] ZINC000504256088 913121888 /nfs/dbraw/zinc/12/18/88/913121888.db2.gz YYWJBJLVDXWMHD-UHFFFAOYSA-N 0 0 415.490 4.373 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000472466025 887326391 /nfs/dbraw/zinc/32/63/91/887326391.db2.gz NHJDTWLFCGGOEM-MRVPVSSYSA-N 0 0 422.816 4.183 20 5 HIBDRN CCOc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc(OCC)c1OCC ZINC000504281043 913135821 /nfs/dbraw/zinc/13/58/21/913135821.db2.gz VQCSNRCIFPKLOF-AWEZNQCLSA-N 0 0 414.458 4.382 20 5 HIBDRN COc1ccc(-c2cnc(CCC(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)o2)cc1 ZINC000504286618 913139606 /nfs/dbraw/zinc/13/96/06/913139606.db2.gz RCEUCAXDTNYAGI-CQSZACIVSA-N 0 0 407.426 4.169 20 5 HIBDRN CCOc1cc(NC(=O)[C@@H]2COc3cc(C)c(C)cc32)c([N+](=O)[O-])cc1OCC ZINC000472526197 887396044 /nfs/dbraw/zinc/39/60/44/887396044.db2.gz YEBBHGVOGXUZMG-OAHLLOKOSA-N 0 0 400.431 4.124 20 5 HIBDRN Cc1cc(=O)c(C(=O)Nc2ccccc2SC(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000472533221 887406064 /nfs/dbraw/zinc/40/60/64/887406064.db2.gz NIYCURYJGDSEJL-UHFFFAOYSA-N 0 0 424.482 4.202 20 5 HIBDRN CN(Cc1cccn1C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000472567107 887453924 /nfs/dbraw/zinc/45/39/24/887453924.db2.gz UUCHGMUUXVHZCE-UHFFFAOYSA-N 0 0 412.877 4.471 20 5 HIBDRN CC[C@@H](C)[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000472609723 887479869 /nfs/dbraw/zinc/47/98/69/887479869.db2.gz MAIULQIZOCRYIG-PIGZYNQJSA-N 0 0 407.829 4.229 20 5 HIBDRN O=C(NC1(Cc2ccccc2)CCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000472614588 887483384 /nfs/dbraw/zinc/48/33/84/887483384.db2.gz VYAKVKJMOPMYKW-UHFFFAOYSA-N 0 0 408.376 4.431 20 5 HIBDRN CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000472619179 887488023 /nfs/dbraw/zinc/48/80/23/887488023.db2.gz FHZIFBBUKLVTDS-LBPRGKRZSA-N 0 0 405.451 4.050 20 5 HIBDRN Cc1noc(C)c1COc1ccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000504304123 913155204 /nfs/dbraw/zinc/15/52/04/913155204.db2.gz MJUCJQANFMNZSO-CQSZACIVSA-N 0 0 421.453 4.299 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000504311688 913159922 /nfs/dbraw/zinc/15/99/22/913159922.db2.gz QRESTEVPMBCZMV-LBPRGKRZSA-N 0 0 413.380 4.438 20 5 HIBDRN CCCOc1cc(NC(=O)N(C)Cc2nccs2)c([N+](=O)[O-])cc1OCCC ZINC000472772157 887618760 /nfs/dbraw/zinc/61/87/60/887618760.db2.gz OYXZETHCBFFVQE-UHFFFAOYSA-N 0 0 408.480 4.293 20 5 HIBDRN CCCCCn1nc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c2ccccc2c1=O ZINC000504324701 913168003 /nfs/dbraw/zinc/16/80/03/913168003.db2.gz LGNHAKTXAJARMR-OAHLLOKOSA-N 0 0 420.469 4.086 20 5 HIBDRN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000472851435 887705856 /nfs/dbraw/zinc/70/58/56/887705856.db2.gz PXBMXNJQEPGGJQ-INIZCTEOSA-N 0 0 416.441 4.147 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000504328744 913171879 /nfs/dbraw/zinc/17/18/79/913171879.db2.gz LDIOJDJHGIELRO-UHFFFAOYSA-N 0 0 411.439 4.235 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000473036513 887859182 /nfs/dbraw/zinc/85/91/82/887859182.db2.gz PDSICNPUBJOREO-ZDUSSCGKSA-N 0 0 401.513 4.390 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1F ZINC000473072954 887890302 /nfs/dbraw/zinc/89/03/02/887890302.db2.gz RZSRIGAEYISMKN-SNVBAGLBSA-N 0 0 404.785 4.237 20 5 HIBDRN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000473197217 887975783 /nfs/dbraw/zinc/97/57/83/887975783.db2.gz NCRYUTMDWSHRGH-GOSISDBHSA-N 0 0 413.474 4.144 20 5 HIBDRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000473282313 888038365 /nfs/dbraw/zinc/03/83/65/888038365.db2.gz NAUKQLQFUUERBF-NHCUHLMSSA-N 0 0 406.463 4.134 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H](c3ncc[nH]3)C(C)C)cc2[N+](=O)[O-])n1 ZINC000473299827 888050620 /nfs/dbraw/zinc/05/06/20/888050620.db2.gz KUHGFQYKYSMSQK-OAHLLOKOSA-N 0 0 417.516 4.361 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000504381909 913206112 /nfs/dbraw/zinc/20/61/12/913206112.db2.gz PDICTFQCFDFBDC-NSHDSACASA-N 0 0 409.423 4.038 20 5 HIBDRN CCCOc1cn(-c2ccccc2)nc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000504382090 913207560 /nfs/dbraw/zinc/20/75/60/913207560.db2.gz QJILLQQFKBCABW-HNNXBMFYSA-N 0 0 406.442 4.161 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)s1 ZINC000473422205 888141153 /nfs/dbraw/zinc/14/11/53/888141153.db2.gz TVPSBRHHWWSDAE-UHFFFAOYSA-N 0 0 415.450 4.392 20 5 HIBDRN Cc1cc(-c2noc(CCC(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)n2)ccc1F ZINC000504394566 913215173 /nfs/dbraw/zinc/21/51/73/913215173.db2.gz OLKQASVLXBNPAP-ZDUSSCGKSA-N 0 0 410.405 4.003 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000473520191 888254044 /nfs/dbraw/zinc/25/40/44/888254044.db2.gz ILGUIECZXZGPFQ-OAHLLOKOSA-N 0 0 423.448 4.320 20 5 HIBDRN CC[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000473522544 888258627 /nfs/dbraw/zinc/25/86/27/888258627.db2.gz SMDFRXOCPBQDFQ-KRWDZBQOSA-N 0 0 408.458 4.173 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000473529280 888266869 /nfs/dbraw/zinc/26/68/69/888266869.db2.gz WIQVZMLXLGTYIT-QGZVFWFLSA-N 0 0 400.442 4.312 20 5 HIBDRN COc1cc(OC)cc(N2CC[C@H](CNc3nc4ccccc4cc3[N+](=O)[O-])C2)c1 ZINC000473528669 888267303 /nfs/dbraw/zinc/26/73/03/888267303.db2.gz VSPGFSXYAQSWAM-OAHLLOKOSA-N 0 0 408.458 4.099 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@](C)(O)CC3)cc2[N+](=O)[O-])cc1 ZINC000473595180 888338811 /nfs/dbraw/zinc/33/88/11/888338811.db2.gz WOOOPLIWWOQFIY-OAQYLSRUSA-N 0 0 400.500 4.432 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000473768368 888565550 /nfs/dbraw/zinc/56/55/50/888565550.db2.gz KAXZYORYTDPHQN-UHFFFAOYSA-N 0 0 419.363 4.463 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000473771848 888570450 /nfs/dbraw/zinc/57/04/50/888570450.db2.gz RHSQUMUPZACKFN-UHFFFAOYSA-N 0 0 419.363 4.164 20 5 HIBDRN Cc1cc(NC(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000473772347 888571545 /nfs/dbraw/zinc/57/15/45/888571545.db2.gz JWBORLHEWLTPBJ-QGZVFWFLSA-N 0 0 407.373 4.110 20 5 HIBDRN Cc1cc(NC(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000473782281 888589617 /nfs/dbraw/zinc/58/96/17/888589617.db2.gz HNWDABWSSXPHMC-QGZVFWFLSA-N 0 0 422.441 4.076 20 5 HIBDRN CCn1c(SCCCCCS(=O)(=O)CC)nc2cc3ccccc3cc2c1=O ZINC000473786934 888597200 /nfs/dbraw/zinc/59/72/00/888597200.db2.gz URDTZTYAEWBHNT-UHFFFAOYSA-N 0 0 418.584 4.267 20 5 HIBDRN CC(C)Sc1ccccc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000473847029 888693305 /nfs/dbraw/zinc/69/33/05/888693305.db2.gz LIWRAARRTIOWSC-UHFFFAOYSA-N 0 0 400.504 4.449 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473933922 888813449 /nfs/dbraw/zinc/81/34/49/888813449.db2.gz UBANQFKYRLWFTF-CQSZACIVSA-N 0 0 423.256 4.137 20 5 HIBDRN COC(=O)COc1ccc(CNc2cccc(-c3nc(C)cs3)c2)cc1[N+](=O)[O-] ZINC000473985735 888847896 /nfs/dbraw/zinc/84/78/96/888847896.db2.gz VOJZJXVDXYHZAF-UHFFFAOYSA-N 0 0 413.455 4.191 20 5 HIBDRN COC(=O)COc1ccc(CNc2ccc(F)cc2OC(C)(C)C)cc1[N+](=O)[O-] ZINC000473994731 888854720 /nfs/dbraw/zinc/85/47/20/888854720.db2.gz KYNUMVRMWPBZRW-UHFFFAOYSA-N 0 0 406.410 4.075 20 5 HIBDRN C[C@@]1(CO)CCC[C@@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000474133079 888953124 /nfs/dbraw/zinc/95/31/24/888953124.db2.gz NUHOTIYQJVNWDT-ICSRJNTNSA-N 0 0 404.850 4.321 20 5 HIBDRN Cc1ccc(CNC(=O)C2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cc1 ZINC000474171322 889009928 /nfs/dbraw/zinc/00/99/28/889009928.db2.gz RJEBEYZCICETJJ-UHFFFAOYSA-N 0 0 419.428 4.037 20 5 HIBDRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000474214027 889051920 /nfs/dbraw/zinc/05/19/20/889051920.db2.gz HQWUCWNLGKMAMH-ZDUSSCGKSA-N 0 0 417.874 4.350 20 5 HIBDRN CCOc1ccc(C(=O)CCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1F ZINC000474253305 889106531 /nfs/dbraw/zinc/10/65/31/889106531.db2.gz MZMTWTDIEWGATQ-UHFFFAOYSA-N 0 0 414.433 4.287 20 5 HIBDRN COC(=O)COc1ccc(CNc2ccc3oc(C(C)(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000474359670 889236843 /nfs/dbraw/zinc/23/68/43/889236843.db2.gz VGEUPLUCFUKMFL-UHFFFAOYSA-N 0 0 413.430 4.197 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000474508412 889372571 /nfs/dbraw/zinc/37/25/71/889372571.db2.gz CWYYOJNDRJCWKF-NEPJUHHUSA-N 0 0 407.268 4.182 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000504575904 913341985 /nfs/dbraw/zinc/34/19/85/913341985.db2.gz SYCFZHZHJQMOPQ-UHFFFAOYSA-N 0 0 401.422 4.358 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)cc1OC ZINC000504591992 913351259 /nfs/dbraw/zinc/35/12/59/913351259.db2.gz KQYDPYRJYCOXAZ-SFHVURJKSA-N 0 0 412.364 4.210 20 5 HIBDRN C/C=C\C[C@H](CO)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000474631509 889494500 /nfs/dbraw/zinc/49/45/00/889494500.db2.gz GFKDPGARNRAYRU-PYLYLYNFSA-N 0 0 406.891 4.456 20 5 HIBDRN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000504600604 913358024 /nfs/dbraw/zinc/35/80/24/913358024.db2.gz BECDPUPTOBZHIS-CYBMUJFWSA-N 0 0 424.320 4.395 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000474755120 889613183 /nfs/dbraw/zinc/61/31/83/889613183.db2.gz WTKBLEHYXBHUKH-KBPBESRZSA-N 0 0 413.865 4.093 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(COC(C)(C)C)c2C)cc([N+](=O)[O-])c1OC ZINC000474775295 889632172 /nfs/dbraw/zinc/63/21/72/889632172.db2.gz SEPMGDYVSZMORT-UHFFFAOYSA-N 0 0 402.447 4.488 20 5 HIBDRN Cc1cnc(NC2CCN(Cc3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 ZINC000474791546 889647200 /nfs/dbraw/zinc/64/72/00/889647200.db2.gz RNNILUHRXWMVMW-UHFFFAOYSA-N 0 0 405.296 4.137 20 5 HIBDRN CC(C)(C)Oc1ccncc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000504612487 913367775 /nfs/dbraw/zinc/36/77/75/913367775.db2.gz LRCBMFDIGGRAEF-UHFFFAOYSA-N 0 0 401.466 4.366 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000474825452 889679621 /nfs/dbraw/zinc/67/96/21/889679621.db2.gz KZSJSTCYAKICKR-SFHVURJKSA-N 0 0 412.829 4.436 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000474827691 889682681 /nfs/dbraw/zinc/68/26/81/889682681.db2.gz BIJFUBAJNRTASQ-UHFFFAOYSA-N 0 0 414.477 4.241 20 5 HIBDRN CC(C)(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1F ZINC000474835445 889693464 /nfs/dbraw/zinc/69/34/64/889693464.db2.gz LIABTWLBYBVZMY-UHFFFAOYSA-N 0 0 403.797 4.306 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000474849508 889706014 /nfs/dbraw/zinc/70/60/14/889706014.db2.gz FCNRHNYKWWHFPW-CQSZACIVSA-N 0 0 417.893 4.405 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000474858812 889714342 /nfs/dbraw/zinc/71/43/42/889714342.db2.gz LJMWCINRQGPFSH-UHFFFAOYSA-N 0 0 408.376 4.399 20 5 HIBDRN COc1c(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cccc1[N+](=O)[O-] ZINC000474894331 889751792 /nfs/dbraw/zinc/75/17/92/889751792.db2.gz BPZNYTGVYCLYDZ-UHFFFAOYSA-N 0 0 404.272 4.059 20 5 HIBDRN CCOC1CC(CCNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000474932624 889790533 /nfs/dbraw/zinc/79/05/33/889790533.db2.gz VQGIPBUBSHSUGD-GIOYIUAESA-N 0 0 403.523 4.012 20 5 HIBDRN COc1ccc(CNC(=O)c2cc(F)c(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000475029460 889882638 /nfs/dbraw/zinc/88/26/38/889882638.db2.gz IRDWJWLNFOOHQT-UHFFFAOYSA-N 0 0 417.618 4.088 20 5 HIBDRN Cc1ccc(-n2cccn2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000475080934 889926084 /nfs/dbraw/zinc/92/60/84/889926084.db2.gz WRIUZNHGYFGLBN-CYBMUJFWSA-N 0 0 400.822 4.148 20 5 HIBDRN COc1c(C(=O)N[C@H](C)CCc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000475113886 889966484 /nfs/dbraw/zinc/96/64/84/889966484.db2.gz VHJRFIDEPHXQQA-GFCCVEGCSA-N 0 0 407.264 4.117 20 5 HIBDRN COc1c(C(=O)N(Cc2ccc(Br)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000475122909 889980484 /nfs/dbraw/zinc/98/04/84/889980484.db2.gz XGVRNZZIGYXWPK-UHFFFAOYSA-N 0 0 407.264 4.417 20 5 HIBDRN C[C@@H](O)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccccc1 ZINC000475189454 890058467 /nfs/dbraw/zinc/05/84/67/890058467.db2.gz INMWTWNTDDGTFF-TZMCWYRMSA-N 0 0 411.380 4.290 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000475210097 890078268 /nfs/dbraw/zinc/07/82/68/890078268.db2.gz UERSDYFDAGLCJU-GOSISDBHSA-N 0 0 407.348 4.277 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC1CCN(c2ccccc2)CC1 ZINC000475213102 890082561 /nfs/dbraw/zinc/08/25/61/890082561.db2.gz VWFCEJNCARSAGS-UHFFFAOYSA-N 0 0 408.380 4.404 20 5 HIBDRN O=C(NCc1cccc(Cn2cccn2)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475221472 890090007 /nfs/dbraw/zinc/09/00/07/890090007.db2.gz VYYHQNFBQOPAJT-UHFFFAOYSA-N 0 0 419.363 4.180 20 5 HIBDRN Cc1cccc2oc(CCNC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)nc21 ZINC000475239288 890113351 /nfs/dbraw/zinc/11/33/51/890113351.db2.gz WSTWKJFQFOPGDC-UHFFFAOYSA-N 0 0 408.336 4.427 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000475243691 890123000 /nfs/dbraw/zinc/12/30/00/890123000.db2.gz LUQOAIBHIDUZPO-ZDUSSCGKSA-N 0 0 421.295 4.434 20 5 HIBDRN CCN(CC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(C)n1)c1cccc(C(F)(F)F)c1 ZINC000475310914 890225109 /nfs/dbraw/zinc/22/51/09/890225109.db2.gz RCGKNHHMPUZYLU-QGZVFWFLSA-N 0 0 410.396 4.339 20 5 HIBDRN Cc1nc(NC(=O)c2c3c(sc2-n2cccc2)CSCC3)ccc1[N+](=O)[O-] ZINC000475321816 890240072 /nfs/dbraw/zinc/24/00/72/890240072.db2.gz YPCRQTGORHTIRI-UHFFFAOYSA-N 0 0 400.485 4.192 20 5 HIBDRN COc1cccc(N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000475386320 890314041 /nfs/dbraw/zinc/31/40/41/890314041.db2.gz CLIOWGSZXJHUQQ-UHFFFAOYSA-N 0 0 407.829 4.251 20 5 HIBDRN CCOc1cc(NC(=O)[C@@H]2CCN(c3ccccc3)[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000475472275 890380653 /nfs/dbraw/zinc/38/06/53/890380653.db2.gz UZJWAYYNFITKND-DOTOQJQBSA-N 0 0 413.474 4.246 20 5 HIBDRN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)ccc1Cl ZINC000475480706 890386411 /nfs/dbraw/zinc/38/64/11/890386411.db2.gz KAMQFKMCJZAELA-INIZCTEOSA-N 0 0 421.906 4.047 20 5 HIBDRN COc1cccc(-c2noc([C@H](C)NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)n2)c1 ZINC000475548518 890474205 /nfs/dbraw/zinc/47/42/05/890474205.db2.gz BLWLXWCTEXGNKK-ZDUSSCGKSA-N 0 0 411.418 4.153 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000475562383 890492496 /nfs/dbraw/zinc/49/24/96/890492496.db2.gz GJVNZPABBBKAAI-CQSZACIVSA-N 0 0 424.379 4.311 20 5 HIBDRN CC[C@@H]1NC(=O)N(c2cccc(N[C@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])c2)C1=O ZINC000475573489 890505025 /nfs/dbraw/zinc/50/50/25/890505025.db2.gz SABHYEDCOBAXEV-XPGWFJOJSA-N 0 0 422.485 4.253 20 5 HIBDRN CC[C@H]1Oc2cc([C@H](C)NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)ccc2NC1=O ZINC000475635583 890575999 /nfs/dbraw/zinc/57/59/99/890575999.db2.gz CAIMMSWDLIJQTB-SCLBCKFNSA-N 0 0 412.446 4.204 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c(OC[C@H]2CCOC2)c1 ZINC000475634670 890576170 /nfs/dbraw/zinc/57/61/70/890576170.db2.gz NNCPRMOIFYPCCJ-KRWDZBQOSA-N 0 0 413.474 4.257 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c(-n2cc(Cl)cn2)n1 ZINC000475636496 890577157 /nfs/dbraw/zinc/57/71/57/890577157.db2.gz CAVFOKXGAFOIAD-UHFFFAOYSA-N 0 0 414.853 4.076 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000475643623 890585771 /nfs/dbraw/zinc/58/57/71/890585771.db2.gz XBNAVTQXUIDWBN-UHFFFAOYSA-N 0 0 401.810 4.237 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccc(Cl)c(F)c1 ZINC000475648929 890593477 /nfs/dbraw/zinc/59/34/77/890593477.db2.gz WDMVVOIEZFLAGZ-INIZCTEOSA-N 0 0 423.828 4.430 20 5 HIBDRN COC(=O)c1cc2ccc(Oc3ncc([N+](=O)[O-])c(C)c3Br)cc2o1 ZINC000475721951 890660460 /nfs/dbraw/zinc/66/04/60/890660460.db2.gz FUHXQSGVEUHOMJ-UHFFFAOYSA-N 0 0 407.176 4.386 20 5 HIBDRN CN(c1nc(CSc2nc3cc4ccccc4cc3c(=O)n2C)cs1)C1CC1 ZINC000475733038 890673047 /nfs/dbraw/zinc/67/30/47/890673047.db2.gz JBXREBIIBMOQDU-UHFFFAOYSA-N 0 0 408.552 4.434 20 5 HIBDRN Cc1c(Br)c(NCc2nc3cccc(Cl)c3n2C)ncc1[N+](=O)[O-] ZINC000475739035 890680479 /nfs/dbraw/zinc/68/04/79/890680479.db2.gz LJUKIUXSYPQGTR-UHFFFAOYSA-N 0 0 410.659 4.213 20 5 HIBDRN CC(C)(C)Oc1cc(N2CCC(O)(Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000475742533 890684372 /nfs/dbraw/zinc/68/43/72/890684372.db2.gz REOKKKKJXZEMIW-UHFFFAOYSA-N 0 0 402.466 4.485 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cscc1Br ZINC000504739719 913477589 /nfs/dbraw/zinc/47/75/89/913477589.db2.gz DWGSKJUYMAJYIA-WEVVVXLNSA-N 0 0 404.245 4.073 20 5 HIBDRN Cc1cc(F)c(Br)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000475766797 890712258 /nfs/dbraw/zinc/71/22/58/890712258.db2.gz IZEDNZWTOICJSG-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN CCC1(CC)CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000475788780 890730047 /nfs/dbraw/zinc/73/00/47/890730047.db2.gz NOKKQEYHYPWVJL-OAHLLOKOSA-N 0 0 407.536 4.126 20 5 HIBDRN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2s1 ZINC000475803987 890738043 /nfs/dbraw/zinc/73/80/43/890738043.db2.gz ANDBUSMEQFKJSN-UHFFFAOYSA-N 0 0 420.468 4.095 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000475846722 890780300 /nfs/dbraw/zinc/78/03/00/890780300.db2.gz IZWIHHKEJFIQSF-UHFFFAOYSA-N 0 0 407.395 4.061 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000475850967 890784349 /nfs/dbraw/zinc/78/43/49/890784349.db2.gz HEUUXKOOKQHIKV-KRWDZBQOSA-N 0 0 403.797 4.082 20 5 HIBDRN COc1c(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])oc2ccccc21 ZINC000475862263 890799445 /nfs/dbraw/zinc/79/94/45/890799445.db2.gz AXFUWOYPIYUXFP-UHFFFAOYSA-N 0 0 405.204 4.042 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 ZINC000475880217 890814295 /nfs/dbraw/zinc/81/42/95/890814295.db2.gz JXWPTQPYIOOSBG-QGZVFWFLSA-N 0 0 410.854 4.323 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000475964717 890884842 /nfs/dbraw/zinc/88/48/42/890884842.db2.gz FIZQQSXVWIWUNT-QWHCGFSZSA-N 0 0 404.850 4.284 20 5 HIBDRN COc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(OC(C)C)c1 ZINC000475966143 890885344 /nfs/dbraw/zinc/88/53/44/890885344.db2.gz KLTPPJWLHKEXLN-UHFFFAOYSA-N 0 0 414.458 4.074 20 5 HIBDRN CSc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl ZINC000475966499 890886456 /nfs/dbraw/zinc/88/64/56/890886456.db2.gz KBYLGEVABCBZEM-UHFFFAOYSA-N 0 0 406.895 4.324 20 5 HIBDRN COc1ccc(N(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2OC)cc1F ZINC000476071228 890999926 /nfs/dbraw/zinc/99/99/26/890999926.db2.gz GXIFIRMDDDWFHM-UHFFFAOYSA-N 0 0 400.362 4.191 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000504786013 913512129 /nfs/dbraw/zinc/51/21/29/913512129.db2.gz MSPCLWUJNMXPGO-KRWDZBQOSA-N 0 0 412.471 4.427 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000476103811 891024526 /nfs/dbraw/zinc/02/45/26/891024526.db2.gz QALHTIUASSSBTJ-UHFFFAOYSA-N 0 0 412.471 4.080 20 5 HIBDRN O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476131693 891054076 /nfs/dbraw/zinc/05/40/76/891054076.db2.gz DQMFNVKHJKDEDP-UHFFFAOYSA-N 0 0 417.343 4.467 20 5 HIBDRN O=C(NC[C@H](O)Cc1ccccc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476138520 891061030 /nfs/dbraw/zinc/06/10/30/891061030.db2.gz 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Cc1nc(-c2ccccc2NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cs1 ZINC000477681413 892807840 /nfs/dbraw/zinc/80/78/40/892807840.db2.gz UXBDMAYOSMZSAX-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN COC(=O)c1cnc(Oc2ccc(NC(=O)c3sccc3C)cc2)c([N+](=O)[O-])c1 ZINC000477730460 892830119 /nfs/dbraw/zinc/83/01/19/892830119.db2.gz JRIVSRICESBNTR-UHFFFAOYSA-N 0 0 413.411 4.191 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(-c3cnn(-c4ccc(Br)cc4)c3)n2)c1 ZINC000504967921 913708268 /nfs/dbraw/zinc/70/82/68/913708268.db2.gz BBOKEAYYGWXZGQ-UHFFFAOYSA-N 0 0 412.203 4.260 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000477803551 892877269 /nfs/dbraw/zinc/87/72/69/892877269.db2.gz SMWGHZISKNWYRH-QWRGUYRKSA-N 0 0 410.293 4.110 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000477803549 892877554 /nfs/dbraw/zinc/87/75/54/892877554.db2.gz SMWGHZISKNWYRH-GHMZBOCLSA-N 0 0 410.293 4.110 20 5 HIBDRN Cc1cn(-c2cccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)c2)c(=O)[nH]1 ZINC000477823803 892889289 /nfs/dbraw/zinc/88/92/89/892889289.db2.gz BIAFBAACIYVLOJ-UHFFFAOYSA-N 0 0 410.433 4.133 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(SC)cc1 ZINC000477831348 892893926 /nfs/dbraw/zinc/89/39/26/892893926.db2.gz WMXZSFCRDWYTQG-MRXNPFEDSA-N 0 0 423.878 4.396 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000477849394 892908189 /nfs/dbraw/zinc/90/81/89/892908189.db2.gz SQMRSLMXBFHHMU-HNNXBMFYSA-N 0 0 408.426 4.482 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1sccc1Br ZINC000477880993 892946116 /nfs/dbraw/zinc/94/61/16/892946116.db2.gz RSHKURUUPFUOBW-SECBINFHSA-N 0 0 401.307 4.216 20 5 HIBDRN Cc1c(Br)cccc1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000477888075 892953504 /nfs/dbraw/zinc/95/35/04/892953504.db2.gz LZHAMKUZUGTPIY-UHFFFAOYSA-N 0 0 421.247 4.008 20 5 HIBDRN O=C(Nc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)nc1)c1ccccc1 ZINC000477894448 892959992 /nfs/dbraw/zinc/95/99/92/892959992.db2.gz JKSFCGMYKIWHPU-UHFFFAOYSA-N 0 0 417.425 4.069 20 5 HIBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CC(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000477927911 893015933 /nfs/dbraw/zinc/01/59/33/893015933.db2.gz CDCYUUHJNJHHSC-UHFFFAOYSA-N 0 0 421.497 4.154 20 5 HIBDRN COc1ccc2nc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])sc2c1 ZINC000504984549 913730069 /nfs/dbraw/zinc/73/00/69/913730069.db2.gz GAQOISVQCPERFB-VIFPVBQESA-N 0 0 407.835 4.273 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)c1 ZINC000477996221 893098064 /nfs/dbraw/zinc/09/80/64/893098064.db2.gz FUROPJCIZFHBSE-MWLCHTKSSA-N 0 0 413.318 4.427 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000478009211 893119347 /nfs/dbraw/zinc/11/93/47/893119347.db2.gz HUWCFEQFBDSOLS-ZWKOTPCHSA-N 0 0 404.451 4.281 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)ccc1C1CC1 ZINC000478056891 893213208 /nfs/dbraw/zinc/21/32/08/893213208.db2.gz YTIQZVWAHKHFST-UHFFFAOYSA-N 0 0 409.471 4.313 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(-c3nc(C4CC4)n(-c4ccccc4Cl)n3)n2)c1 ZINC000505014423 913757493 /nfs/dbraw/zinc/75/74/93/913757493.db2.gz RFOSJCPPCQDKOT-UHFFFAOYSA-N 0 0 408.805 4.423 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000478138855 893310352 /nfs/dbraw/zinc/31/03/52/893310352.db2.gz RDVFHHXSVRCRKB-UHFFFAOYSA-N 0 0 402.394 4.051 20 5 HIBDRN CS(=O)(=O)c1cccc([C@H](NCc2ccc([N+](=O)[O-])cc2F)c2ccccc2)c1 ZINC000478167051 893333863 /nfs/dbraw/zinc/33/38/63/893333863.db2.gz AUSGIIBQQWHSAB-OAQYLSRUSA-N 0 0 414.458 4.017 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000478188978 893352877 /nfs/dbraw/zinc/35/28/77/893352877.db2.gz WMCNYNZKHBPBDE-SFHVURJKSA-N 0 0 400.453 4.310 20 5 HIBDRN COCC[C@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccco1 ZINC000505017913 913760087 /nfs/dbraw/zinc/76/00/87/913760087.db2.gz CHTKNSFCGAHSAS-BQFCYCMXSA-N 0 0 415.490 4.178 20 5 HIBDRN COc1ccc(C(=O)N2CCCCCC2)cc1NCc1ccc([N+](=O)[O-])cc1F ZINC000478236733 893398788 /nfs/dbraw/zinc/39/87/88/893398788.db2.gz VCLSRICHKOWVAI-UHFFFAOYSA-N 0 0 401.438 4.371 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000478237979 893401015 /nfs/dbraw/zinc/40/10/15/893401015.db2.gz ZKKBIMBDOCRTGV-GOEBONIOSA-N 0 0 402.422 4.207 20 5 HIBDRN Cn1cc(C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000478251860 893426432 /nfs/dbraw/zinc/42/64/32/893426432.db2.gz NFCJSYMPGYEDKS-WMZOPIPTSA-N 0 0 408.433 4.201 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc([N+](=O)[O-])c1C ZINC000478267786 893460214 /nfs/dbraw/zinc/46/02/14/893460214.db2.gz VXDHYPZAUCAQCD-UHFFFAOYSA-N 0 0 421.457 4.149 20 5 HIBDRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000505029390 913770479 /nfs/dbraw/zinc/77/04/79/913770479.db2.gz GJUPDYBPOHAQTR-LLVKDONJSA-N 0 0 402.407 4.217 20 5 HIBDRN COC(=O)c1cnc(Sc2nnc(Nc3cccc(C)c3C)s2)c([N+](=O)[O-])c1 ZINC000478296435 893510848 /nfs/dbraw/zinc/51/08/48/893510848.db2.gz WQVKGFSIKROVGP-UHFFFAOYSA-N 0 0 417.472 4.140 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000478308727 893532573 /nfs/dbraw/zinc/53/25/73/893532573.db2.gz RXELENWJSDPMHR-LJQANCHMSA-N 0 0 408.458 4.268 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)cc([N+](=O)[O-])c1C ZINC000478329298 893563377 /nfs/dbraw/zinc/56/33/77/893563377.db2.gz LLXSAKVXBQYINB-OAHLLOKOSA-N 0 0 408.458 4.116 20 5 HIBDRN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000478337772 893575691 /nfs/dbraw/zinc/57/56/91/893575691.db2.gz IMTUCQBZLWOLSX-CQSZACIVSA-N 0 0 414.874 4.401 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)cc([N+](=O)[O-])c1C ZINC000478341581 893585596 /nfs/dbraw/zinc/58/55/96/893585596.db2.gz RPYAYSLYGCWZMR-OAHLLOKOSA-N 0 0 404.850 4.249 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 ZINC000478381531 893652008 /nfs/dbraw/zinc/65/20/08/893652008.db2.gz MZOLPHHYCNBAPE-UHFFFAOYSA-N 0 0 413.437 4.462 20 5 HIBDRN Cc1ccc(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)cc1[N+](=O)[O-] ZINC000478380920 893652458 /nfs/dbraw/zinc/65/24/58/893652458.db2.gz MGNUITXGMAJUPV-UHFFFAOYSA-N 0 0 413.437 4.462 20 5 HIBDRN Cc1c(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000478464520 893788943 /nfs/dbraw/zinc/78/89/43/893788943.db2.gz SMVFCXGHRBUABB-AWEZNQCLSA-N 0 0 402.756 4.039 20 5 HIBDRN Cc1cc(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000478468699 893795896 /nfs/dbraw/zinc/79/58/96/893795896.db2.gz PLJYGFZIJUXMQZ-OAHLLOKOSA-N 0 0 402.756 4.039 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000478472651 893800414 /nfs/dbraw/zinc/80/04/14/893800414.db2.gz BVEYWHRVMPPPJP-HNNXBMFYSA-N 0 0 401.463 4.261 20 5 HIBDRN O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000478472074 893800728 /nfs/dbraw/zinc/80/07/28/893800728.db2.gz BMTYZPAFRLTAGV-AWEZNQCLSA-N 0 0 423.174 4.384 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000505080045 913808216 /nfs/dbraw/zinc/80/82/16/913808216.db2.gz CDMPSNXUQBUIFI-AWEZNQCLSA-N 0 0 406.529 4.240 20 5 HIBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000478584452 893860443 /nfs/dbraw/zinc/86/04/43/893860443.db2.gz MKFNNIHZSWFTMI-UHFFFAOYSA-N 0 0 417.372 4.250 20 5 HIBDRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000478609037 893873498 /nfs/dbraw/zinc/87/34/98/893873498.db2.gz GPFJUDCHKZGUGQ-UHFFFAOYSA-N 0 0 412.423 4.274 20 5 HIBDRN COc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(OC)c(C)c1OC ZINC000478611719 893875225 /nfs/dbraw/zinc/87/52/25/893875225.db2.gz POUGTSQZFIUXGY-UHFFFAOYSA-N 0 0 402.428 4.396 20 5 HIBDRN COc1ccc(C[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl ZINC000478666077 893912300 /nfs/dbraw/zinc/91/23/00/893912300.db2.gz GTKYOTHFGYSWKL-HHHXNRCGSA-N 0 0 406.847 4.361 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2nc(-c3ccccc3Cl)cs2)c1 ZINC000478679409 893930782 /nfs/dbraw/zinc/93/07/82/893930782.db2.gz XGPFQMLGTOYIIN-UHFFFAOYSA-N 0 0 408.888 4.487 20 5 HIBDRN Cc1nc(C)c(-c2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)s1 ZINC000478685976 893941238 /nfs/dbraw/zinc/94/12/38/893941238.db2.gz HUILVZCBGXLRKT-JTQLQIEISA-N 0 0 419.488 4.146 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cc([N+](=O)[O-])c1C ZINC000478693355 893951909 /nfs/dbraw/zinc/95/19/09/893951909.db2.gz JJXCMHRMDDRIKX-UHFFFAOYSA-N 0 0 417.849 4.054 20 5 HIBDRN O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000478697877 893959211 /nfs/dbraw/zinc/95/92/11/893959211.db2.gz PAFKAQUDGZEFQC-UHFFFAOYSA-N 0 0 411.727 4.100 20 5 HIBDRN CCOc1cc(OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000478712472 893978176 /nfs/dbraw/zinc/97/81/76/893978176.db2.gz ADQBXBYDZWTNIZ-UHFFFAOYSA-N 0 0 400.431 4.240 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(CNC(=O)Cc2ccccc2[N+](=O)[O-])on1 ZINC000478719086 893989410 /nfs/dbraw/zinc/98/94/10/893989410.db2.gz JJIJAVCITPWLFP-UHFFFAOYSA-N 0 0 417.421 4.271 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2CCCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000478749403 894024728 /nfs/dbraw/zinc/02/47/28/894024728.db2.gz LEMNTUBXVMDRMI-MRXNPFEDSA-N 0 0 420.462 4.006 20 5 HIBDRN Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000478760888 894036151 /nfs/dbraw/zinc/03/61/51/894036151.db2.gz XQAXYZUNNIGFBW-UHFFFAOYSA-N 0 0 407.268 4.391 20 5 HIBDRN O=C(Nc1ccc(CNc2ccccc2)cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000478818230 894091074 /nfs/dbraw/zinc/09/10/74/894091074.db2.gz ZWMQSVDZXLSSQK-UHFFFAOYSA-N 0 0 414.425 4.040 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1csc(-c2ccco2)n1 ZINC000478870299 894149753 /nfs/dbraw/zinc/14/97/53/894149753.db2.gz NAUGXJPGJJVXNJ-UHFFFAOYSA-N 0 0 415.474 4.188 20 5 HIBDRN CCCc1n[nH]c(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c1[N+](=O)[O-] ZINC000478895013 894176529 /nfs/dbraw/zinc/17/65/29/894176529.db2.gz HGAHIRVUFXSYIO-UHFFFAOYSA-N 0 0 411.443 4.070 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1Br)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000478930666 894211347 /nfs/dbraw/zinc/21/13/47/894211347.db2.gz BSWYABQVSNJMBT-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Cl)cc2Br)c([N+](=O)[O-])cc1OC ZINC000478939987 894220081 /nfs/dbraw/zinc/22/00/81/894220081.db2.gz SVGNXPHRUWRSOL-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000479071077 894334991 /nfs/dbraw/zinc/33/49/91/894334991.db2.gz SIADLCDMVKOSOM-ZDUSSCGKSA-N 0 0 413.865 4.097 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCCc2cc(Br)cc(F)c21 ZINC000479091250 894357336 /nfs/dbraw/zinc/35/73/36/894357336.db2.gz RDXIJHCLKRCZAU-UHFFFAOYSA-N 0 0 411.202 4.157 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(F)cc(Cl)cc2Cl)c2ncccc21 ZINC000479129220 894397982 /nfs/dbraw/zinc/39/79/82/894397982.db2.gz IGNAPQMQGJMUKS-UHFFFAOYSA-N 0 0 416.217 4.390 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](Sc2nc3cncnc3[nH]2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000479179276 894447792 /nfs/dbraw/zinc/44/77/92/894447792.db2.gz DKGATSSERMPJCG-KRWDZBQOSA-N 0 0 420.454 4.042 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCN(C2CC2)c2cc(F)ccc21 ZINC000479182086 894449263 /nfs/dbraw/zinc/44/92/63/894449263.db2.gz YTDWAODBKOODMK-UHFFFAOYSA-N 0 0 409.339 4.382 20 5 HIBDRN C[C@H](c1ccccc1)N1CC(=O)N(Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1=O ZINC000479195868 894462922 /nfs/dbraw/zinc/46/29/22/894462922.db2.gz FLOMUTLILWWTCY-GFCCVEGCSA-N 0 0 407.348 4.139 20 5 HIBDRN CC(=O)N(c1nc(COc2nc(C)cc(C)c2[N+](=O)[O-])cs1)c1ccccc1F ZINC000479198598 894464828 /nfs/dbraw/zinc/46/48/28/894464828.db2.gz JNDGPLZPNVQCON-UHFFFAOYSA-N 0 0 416.434 4.466 20 5 HIBDRN O=C(NCCCCc1ccc(F)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000479261309 894531183 /nfs/dbraw/zinc/53/11/83/894531183.db2.gz ULCJAEMPYHUXEI-UHFFFAOYSA-N 0 0 413.218 4.388 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000505203028 913880793 /nfs/dbraw/zinc/88/07/93/913880793.db2.gz GQCVSVQUQPHBTL-OALUTQOASA-N 0 0 404.850 4.112 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2c(F)ccc(C)c2Br)c1 ZINC000479285808 894564886 /nfs/dbraw/zinc/56/48/86/894564886.db2.gz QVHOOOGKTCYVKC-UHFFFAOYSA-N 0 0 417.256 4.222 20 5 HIBDRN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000505204958 913881979 /nfs/dbraw/zinc/88/19/79/913881979.db2.gz QQYYKGHYKNCVQP-WMZOPIPTSA-N 0 0 422.384 4.131 20 5 HIBDRN CC(=O)Nc1sc(NC(=O)CCc2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000479342161 894635419 /nfs/dbraw/zinc/63/54/19/894635419.db2.gz ADCRTVUMFRIEQT-UHFFFAOYSA-N 0 0 410.455 4.248 20 5 HIBDRN COc1cc(CCNC(=O)c2csc3cc(C)ccc23)c([N+](=O)[O-])cc1OC ZINC000479349245 894645148 /nfs/dbraw/zinc/64/51/48/894645148.db2.gz OUNTUAZJTFOUES-UHFFFAOYSA-N 0 0 400.456 4.108 20 5 HIBDRN Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000479363020 894662737 /nfs/dbraw/zinc/66/27/37/894662737.db2.gz SNQCABYMAMMOPF-UHFFFAOYSA-N 0 0 400.822 4.054 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1NCC1(c2cccc(Br)c2)CCOCC1 ZINC000479372546 894673319 /nfs/dbraw/zinc/67/33/19/894673319.db2.gz BJUUWXDXRGWXGF-UHFFFAOYSA-N 0 0 423.311 4.042 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000479376270 894676420 /nfs/dbraw/zinc/67/64/20/894676420.db2.gz HOPSWRVCPYHDBP-UHFFFAOYSA-N 0 0 412.412 4.299 20 5 HIBDRN O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479398286 894700731 /nfs/dbraw/zinc/70/07/31/894700731.db2.gz WXPJZZBTFRGBEG-SFHVURJKSA-N 0 0 406.417 4.286 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCSc1ccc(C)cc1 ZINC000479404542 894708412 /nfs/dbraw/zinc/70/84/12/894708412.db2.gz FQPUURQDOTXWIX-UHFFFAOYSA-N 0 0 406.529 4.164 20 5 HIBDRN CCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)ccc1C ZINC000479404705 894709131 /nfs/dbraw/zinc/70/91/31/894709131.db2.gz FYMJXCVUOLAFSO-UHFFFAOYSA-N 0 0 402.472 4.373 20 5 HIBDRN Cn1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(-c2ccccc2Cl)n1 ZINC000479415355 894725188 /nfs/dbraw/zinc/72/51/88/894725188.db2.gz SXPGYNVGJZYITJ-UHFFFAOYSA-N 0 0 419.268 4.275 20 5 HIBDRN Cn1cc([C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccc(F)cc2)cn1 ZINC000479425472 894737897 /nfs/dbraw/zinc/73/78/97/894737897.db2.gz PJZYJHGSZVVGLH-FQEVSTJZSA-N 0 0 423.473 4.470 20 5 HIBDRN CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479478871 894802026 /nfs/dbraw/zinc/80/20/26/894802026.db2.gz ITQHLIQJKVGYIX-UHFFFAOYSA-N 0 0 417.314 4.028 20 5 HIBDRN COc1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1O ZINC000479581743 894871179 /nfs/dbraw/zinc/87/11/79/894871179.db2.gz ZWYGDAOUNYVJNX-UHFFFAOYSA-N 0 0 423.212 4.054 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000479614423 894885271 /nfs/dbraw/zinc/88/52/71/894885271.db2.gz CLQAMKQNCUHFON-GFCCVEGCSA-N 0 0 424.423 4.265 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479668094 894945253 /nfs/dbraw/zinc/94/52/53/894945253.db2.gz VPROIXIDYRLMSI-UHFFFAOYSA-N 0 0 419.466 4.142 20 5 HIBDRN O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000505263022 913919210 /nfs/dbraw/zinc/91/92/10/913919210.db2.gz ZOGJBKCQLKORPN-VQTJNVASSA-N 0 0 407.426 4.078 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1[N+](=O)[O-] ZINC000505267105 913922941 /nfs/dbraw/zinc/92/29/41/913922941.db2.gz XRZMXWLWDYHICM-UHFFFAOYSA-N 0 0 419.363 4.483 20 5 HIBDRN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1csc([N+](=O)[O-])c1 ZINC000505270907 913927134 /nfs/dbraw/zinc/92/71/34/913927134.db2.gz FCZIGPFKZMOXRO-UHFFFAOYSA-N 0 0 415.393 4.164 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000479749606 895048974 /nfs/dbraw/zinc/04/89/74/895048974.db2.gz LEIZVZUQHKPZGX-GFCCVEGCSA-N 0 0 412.412 4.387 20 5 HIBDRN CC[C@@H](NC(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000479750548 895049335 /nfs/dbraw/zinc/04/93/35/895049335.db2.gz UYSUYIDUFBSGDB-HXUWFJFHSA-N 0 0 400.454 4.471 20 5 HIBDRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000479776504 895079622 /nfs/dbraw/zinc/07/96/22/895079622.db2.gz HQKPHWCDIJEVOU-ZDUSSCGKSA-N 0 0 423.311 4.297 20 5 HIBDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCO1 ZINC000479786465 895089306 /nfs/dbraw/zinc/08/93/06/895089306.db2.gz HPMGHFBYQOSCLG-MBSDFSHPSA-N 0 0 406.526 4.255 20 5 HIBDRN COCC[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000479787833 895091257 /nfs/dbraw/zinc/09/12/57/895091257.db2.gz MUAYMSRPTPNMBN-CRAIPNDOSA-N 0 0 415.490 4.240 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1C ZINC000479881338 895226135 /nfs/dbraw/zinc/22/61/35/895226135.db2.gz HTNIHKACAOMEBS-UHFFFAOYSA-N 0 0 402.447 4.026 20 5 HIBDRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000479898102 895244889 /nfs/dbraw/zinc/24/48/89/895244889.db2.gz TWNZWPINTHCCLR-UHFFFAOYSA-N 0 0 424.497 4.294 20 5 HIBDRN Cc1cc(Cl)ccc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000479910861 895258321 /nfs/dbraw/zinc/25/83/21/895258321.db2.gz JZABULCISMCXTH-QGZVFWFLSA-N 0 0 404.850 4.369 20 5 HIBDRN COc1cc(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc([N+](=O)[O-])c1C ZINC000479939010 895290061 /nfs/dbraw/zinc/29/00/61/895290061.db2.gz IRCRUKNJHSRDQF-UHFFFAOYSA-N 0 0 411.389 4.168 20 5 HIBDRN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccccc2N1 ZINC000479962754 895316384 /nfs/dbraw/zinc/31/63/84/895316384.db2.gz SUMLEBVBXGLSMY-INIZCTEOSA-N 0 0 404.264 4.454 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000505300308 913959450 /nfs/dbraw/zinc/95/94/50/913959450.db2.gz RTSNOBOSQKCQPA-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN COc1cccc(C2=CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000480013790 895363029 /nfs/dbraw/zinc/36/30/29/895363029.db2.gz BAMVQZLMFWCKKG-AWEZNQCLSA-N 0 0 415.877 4.373 20 5 HIBDRN CCC(=O)c1ccc(N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c([N+](=O)[O-])c1 ZINC000480067596 895415453 /nfs/dbraw/zinc/41/54/53/895415453.db2.gz GMEDNIJEKFPJRP-NHCUHLMSSA-N 0 0 417.893 4.325 20 5 HIBDRN Cc1c(CNC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000480066152 895415728 /nfs/dbraw/zinc/41/57/28/895415728.db2.gz ZLCSSYFKQYCBDG-UHFFFAOYSA-N 0 0 415.877 4.361 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000480080463 895435941 /nfs/dbraw/zinc/43/59/41/895435941.db2.gz GPXLSRDEZQSIFO-INIZCTEOSA-N 0 0 416.526 4.400 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000480080465 895436619 /nfs/dbraw/zinc/43/66/19/895436619.db2.gz GPXLSRDEZQSIFO-MRXNPFEDSA-N 0 0 416.526 4.400 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000480164178 895552445 /nfs/dbraw/zinc/55/24/45/895552445.db2.gz USWZYTPXOQYKIX-UHFFFAOYSA-N 0 0 408.458 4.481 20 5 HIBDRN C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000480226507 895632068 /nfs/dbraw/zinc/63/20/68/895632068.db2.gz XKKLSPBHBKGEAG-OCCSQVGLSA-N 0 0 406.845 4.026 20 5 HIBDRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000480304836 895708952 /nfs/dbraw/zinc/70/89/52/895708952.db2.gz LKDCMTDZRQFYKE-LBPRGKRZSA-N 0 0 409.255 4.334 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc([N+](=O)[O-])c1C ZINC000480327183 895729255 /nfs/dbraw/zinc/72/92/55/895729255.db2.gz MRAINSMWAMIFAN-CYBMUJFWSA-N 0 0 420.849 4.233 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000480364568 895771721 /nfs/dbraw/zinc/77/17/21/895771721.db2.gz ILPXGSHWBJUMEL-UHFFFAOYSA-N 0 0 418.272 4.473 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N1CCC[C@H](OCc2ccccc2F)C1 ZINC000480365946 895773045 /nfs/dbraw/zinc/77/30/45/895773045.db2.gz QSQNRJORQRGYEX-ZDUSSCGKSA-N 0 0 410.243 4.077 20 5 HIBDRN C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H](C)C1CCCCC1 ZINC000480390362 895796180 /nfs/dbraw/zinc/79/61/80/895796180.db2.gz VLFOLVQFQBMKHJ-LSDHHAIUSA-N 0 0 403.479 4.004 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CCC[C@H]2CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000480390415 895796774 /nfs/dbraw/zinc/79/67/74/895796774.db2.gz CLEXWAYTNYNHLU-IBGZPJMESA-N 0 0 404.470 4.161 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 ZINC000480398605 895803332 /nfs/dbraw/zinc/80/33/32/895803332.db2.gz SKWBDXWCDKXIOX-IBGZPJMESA-N 0 0 420.469 4.300 20 5 HIBDRN O=C(NCc1nccs1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000480405090 895808046 /nfs/dbraw/zinc/80/80/46/895808046.db2.gz PJOIHUAILSDCFS-UHFFFAOYSA-N 0 0 402.863 4.247 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000480412788 895812797 /nfs/dbraw/zinc/81/27/97/895812797.db2.gz XNKWQVHHBYTLSM-UHFFFAOYSA-N 0 0 414.531 4.412 20 5 HIBDRN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480434101 895826281 /nfs/dbraw/zinc/82/62/81/895826281.db2.gz GCBFANWFFXKBPJ-AEFFLSMTSA-N 0 0 420.252 4.113 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480495171 895867306 /nfs/dbraw/zinc/86/73/06/895867306.db2.gz URJXYIZNUSVIQK-CQSZACIVSA-N 0 0 418.457 4.102 20 5 HIBDRN CC(C)(C)c1ccc(S(=O)(=O)CCNc2ccc3ncccc3c2[N+](=O)[O-])cc1 ZINC000480515606 895880947 /nfs/dbraw/zinc/88/09/47/895880947.db2.gz RUGCRAIVHOLWCU-UHFFFAOYSA-N 0 0 413.499 4.326 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc2cccnc2c1 ZINC000480563690 895922962 /nfs/dbraw/zinc/92/29/62/895922962.db2.gz NWAUSROXVAQTSQ-UHFFFAOYSA-N 0 0 413.455 4.110 20 5 HIBDRN COC(=O)[C@H](Cc1ccc(C)cc1)Sc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000480565372 895926539 /nfs/dbraw/zinc/92/65/39/895926539.db2.gz FVMQWGSODCOIME-AWEZNQCLSA-N 0 0 400.378 4.193 20 5 HIBDRN Cc1ccc([C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480585838 895948272 /nfs/dbraw/zinc/94/82/72/895948272.db2.gz XGWQQQVJGQGMKI-QFIPXVFZSA-N 0 0 402.454 4.392 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1c(C)nc2sc(C)cn21 ZINC000480606179 895971918 /nfs/dbraw/zinc/97/19/18/895971918.db2.gz CITMUTWNDGQOEC-UHFFFAOYSA-N 0 0 404.517 4.305 20 5 HIBDRN COCCCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000480628729 895996949 /nfs/dbraw/zinc/99/69/49/895996949.db2.gz APYXZHFSVPRWTK-INIZCTEOSA-N 0 0 412.895 4.085 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000480686242 896048746 /nfs/dbraw/zinc/04/87/46/896048746.db2.gz DERGONUDJPKZLJ-UHFFFAOYSA-N 0 0 414.405 4.053 20 5 HIBDRN CCCN([C@H]1CCCc2cccnc21)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480743195 896105903 /nfs/dbraw/zinc/10/59/03/896105903.db2.gz YXTOYFWWYJWKKZ-KRWDZBQOSA-N 0 0 403.504 4.085 20 5 HIBDRN O=C(NCc1ccc(OCCO)cc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000480752338 896114720 /nfs/dbraw/zinc/11/47/20/896114720.db2.gz GIHPQTWTDZBFKB-UHFFFAOYSA-N 0 0 423.425 4.080 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H](CO)c2ccccc2OC(F)(F)F)cc1OC(F)F ZINC000480786980 896152010 /nfs/dbraw/zinc/15/20/10/896152010.db2.gz OFCIVRZIEROTOU-LLVKDONJSA-N 0 0 408.279 4.240 20 5 HIBDRN O=C(Nc1ncccc1Cl)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000480813089 896183628 /nfs/dbraw/zinc/18/36/28/896183628.db2.gz BGKNHAHUAZXOMP-UHFFFAOYSA-N 0 0 412.620 4.388 20 5 HIBDRN Cc1cc(N[C@@H](CO)c2ccccc2OC(F)(F)F)c2cccc([N+](=O)[O-])c2n1 ZINC000480836095 896210235 /nfs/dbraw/zinc/21/02/35/896210235.db2.gz GLMIURSDCJEEMT-HNNXBMFYSA-N 0 0 407.348 4.496 20 5 HIBDRN COc1cccc(Cl)c1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000480907519 896262864 /nfs/dbraw/zinc/26/28/64/896262864.db2.gz GQFFYLHSHXVCFS-UHFFFAOYSA-N 0 0 410.832 4.412 20 5 HIBDRN O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000480999042 896330157 /nfs/dbraw/zinc/33/01/57/896330157.db2.gz KLOJEXQNOMSUPF-LBPRGKRZSA-N 0 0 403.797 4.142 20 5 HIBDRN CCS[C@H]1CCC[C@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000481020477 896351747 /nfs/dbraw/zinc/35/17/47/896351747.db2.gz QLMJCKHENLRKTD-YPMHNXCESA-N 0 0 408.467 4.496 20 5 HIBDRN Cc1cc(N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC000481055486 896378937 /nfs/dbraw/zinc/37/89/37/896378937.db2.gz IHXQEVHDZCFEEV-GFCCVEGCSA-N 0 0 420.185 4.225 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C(F)(F)F)cc1 ZINC000505398361 914063033 /nfs/dbraw/zinc/06/30/33/914063033.db2.gz XARMFIRQKWBXBP-CQSZACIVSA-N 0 0 420.290 4.238 20 5 HIBDRN Cc1ccc2c(c1)CN(c1nc(C)c([N+](=O)[O-])c(N3Cc4ccc(C)cc4C3)n1)C2 ZINC000481082385 896400249 /nfs/dbraw/zinc/40/02/49/896400249.db2.gz AFDLIYCXSHVTIY-UHFFFAOYSA-N 0 0 401.470 4.350 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(CO)Cc1ccccc1 ZINC000481124040 896451548 /nfs/dbraw/zinc/45/15/48/896451548.db2.gz KSUSWLPWWRWDEY-OAQYLSRUSA-N 0 0 402.516 4.068 20 5 HIBDRN O=c1nc(SCCn2ccc([N+](=O)[O-])n2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000481249735 896600851 /nfs/dbraw/zinc/60/08/51/896600851.db2.gz AKHCCYMZNGDHPG-UHFFFAOYSA-N 0 0 417.447 4.100 20 5 HIBDRN CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)o1 ZINC000481263345 896612777 /nfs/dbraw/zinc/61/27/77/896612777.db2.gz XBDJZBAKPIWCQA-OAHLLOKOSA-N 0 0 413.352 4.374 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000505423344 914087038 /nfs/dbraw/zinc/08/70/38/914087038.db2.gz SZWDARDMBSCNSO-KRWDZBQOSA-N 0 0 413.302 4.248 20 5 HIBDRN Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000505422523 914087321 /nfs/dbraw/zinc/08/73/21/914087321.db2.gz WMUHRSNQASZVPN-CQSZACIVSA-N 0 0 408.458 4.345 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000481318629 896669946 /nfs/dbraw/zinc/66/99/46/896669946.db2.gz NHYHDYPDFUKNHM-UHFFFAOYSA-N 0 0 416.384 4.451 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000481344501 896711447 /nfs/dbraw/zinc/71/14/47/896711447.db2.gz KXRSYFMAMCARFW-INIZCTEOSA-N 0 0 415.877 4.356 20 5 HIBDRN CCn1c(SCc2ccc(C(=O)OC)s2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481347473 896717951 /nfs/dbraw/zinc/71/79/51/896717951.db2.gz OJJOXDQUCUMMBE-UHFFFAOYSA-N 0 0 404.473 4.014 20 5 HIBDRN CCn1c(SCc2ccc(C(=O)OC)c(F)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481352609 896727595 /nfs/dbraw/zinc/72/75/95/896727595.db2.gz ZIDPQJOKFJZOPT-UHFFFAOYSA-N 0 0 416.434 4.091 20 5 HIBDRN Cc1c(CNC(=O)CSCc2cc(-c3cccs3)on2)cccc1[N+](=O)[O-] ZINC000481465095 896856794 /nfs/dbraw/zinc/85/67/94/896856794.db2.gz LMPOADTVULPUJW-UHFFFAOYSA-N 0 0 403.485 4.169 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000481512235 896881181 /nfs/dbraw/zinc/88/11/81/896881181.db2.gz WSVOCAZDIMRNIY-SFHVURJKSA-N 0 0 416.499 4.015 20 5 HIBDRN Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000481593826 896973395 /nfs/dbraw/zinc/97/33/95/896973395.db2.gz FGKDQUBQPYPISU-UHFFFAOYSA-N 0 0 424.501 4.094 20 5 HIBDRN CCCOc1cc(NC(=O)N(C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCCC ZINC000481602628 896983363 /nfs/dbraw/zinc/98/33/63/896983363.db2.gz YCZKOKZHMRIWHP-CRAIPNDOSA-N 0 0 423.510 4.187 20 5 HIBDRN COC(=O)[C@@](C)(NCc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(Cl)c(Cl)c1 ZINC000481627748 897012718 /nfs/dbraw/zinc/01/27/18/897012718.db2.gz ZYADUMAMASMLJT-SFHVURJKSA-N 0 0 413.257 4.088 20 5 HIBDRN CN(Cc1ccc(F)cc1Br)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000481706944 897097005 /nfs/dbraw/zinc/09/70/05/897097005.db2.gz LTJQIWPLWAJMFX-UHFFFAOYSA-N 0 0 413.268 4.247 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000505459934 914130193 /nfs/dbraw/zinc/13/01/93/914130193.db2.gz JTJVSIZVJZUWJH-IUODEOHRSA-N 0 0 424.375 4.307 20 5 HIBDRN COc1cc(CN[C@@H](C)c2cccc(F)c2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000505463433 914135463 /nfs/dbraw/zinc/13/54/63/914135463.db2.gz BGZNDQRSYWCBNY-JTQLQIEISA-N 0 0 402.344 4.376 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 ZINC000481823812 897195470 /nfs/dbraw/zinc/19/54/70/897195470.db2.gz KSSWPCRXIQPZHY-UHFFFAOYSA-N 0 0 416.850 4.033 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000481882889 897255308 /nfs/dbraw/zinc/25/53/08/897255308.db2.gz GBWLQFNGQYUOSM-NRFANRHFSA-N 0 0 407.474 4.098 20 5 HIBDRN Cc1c(NC(=O)c2cc(C(=O)OC(C)(C)C)n(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000482024358 897430653 /nfs/dbraw/zinc/43/06/53/897430653.db2.gz HKWFOGQUAZOFNB-UHFFFAOYSA-N 0 0 422.441 4.297 20 5 HIBDRN Cc1coc(-c2cc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)ccc2C)n1 ZINC000482052510 897477926 /nfs/dbraw/zinc/47/79/26/897477926.db2.gz JYIYXDBOGHLNNO-UHFFFAOYSA-N 0 0 403.398 4.305 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000482064457 897496486 /nfs/dbraw/zinc/49/64/86/897496486.db2.gz WPRVISAYSNTYGX-IINYFYTJSA-N 0 0 408.804 4.453 20 5 HIBDRN CCOc1ccc(OCC)c(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 ZINC000482103050 897551165 /nfs/dbraw/zinc/55/11/65/897551165.db2.gz JEQTXMRLBJSACE-UHFFFAOYSA-N 0 0 406.460 4.375 20 5 HIBDRN CCc1c(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnn1-c1ccccc1C ZINC000482126684 897584330 /nfs/dbraw/zinc/58/43/30/897584330.db2.gz AVUWEJCUGJGKSZ-UHFFFAOYSA-N 0 0 407.474 4.358 20 5 HIBDRN CC(C)(O)CCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000482147476 897608600 /nfs/dbraw/zinc/60/86/00/897608600.db2.gz DESGLXSBCPBVHF-UHFFFAOYSA-N 0 0 417.512 4.247 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000482148582 897610990 /nfs/dbraw/zinc/61/09/90/897610990.db2.gz ZTQZBKXOFUAABS-HNNXBMFYSA-N 0 0 417.771 4.360 20 5 HIBDRN O=C(Nc1nc(-c2ccccc2F)co1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000482148164 897611008 /nfs/dbraw/zinc/61/10/08/897611008.db2.gz YZWXENFTYBNXLG-UHFFFAOYSA-N 0 0 410.405 4.244 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000482179855 897647457 /nfs/dbraw/zinc/64/74/57/897647457.db2.gz OZSLPPDSTSMKAJ-INIZCTEOSA-N 0 0 408.227 4.081 20 5 HIBDRN CCOc1cc(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000482205849 897685229 /nfs/dbraw/zinc/68/52/29/897685229.db2.gz GGJCRQCVWBXMCH-WCQYABFASA-N 0 0 404.385 4.101 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000482212036 897693101 /nfs/dbraw/zinc/69/31/01/897693101.db2.gz PDOWKBFVUSNLRV-YPMHNXCESA-N 0 0 406.426 4.026 20 5 HIBDRN O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482218258 897697963 /nfs/dbraw/zinc/69/79/63/897697963.db2.gz YRCXGSTZACHSKD-INIZCTEOSA-N 0 0 407.401 4.354 20 5 HIBDRN COc1cc(OC)c(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1Cl ZINC000482240623 897721505 /nfs/dbraw/zinc/72/15/05/897721505.db2.gz HGJJBDHOBXNLCW-UHFFFAOYSA-N 0 0 412.851 4.248 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1c(F)cc(F)cc1Br ZINC000482286433 897782027 /nfs/dbraw/zinc/78/20/27/897782027.db2.gz LXZWPBVMDWYGAD-UHFFFAOYSA-N 0 0 414.206 4.342 20 5 HIBDRN Cc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1[N+](=O)[O-] ZINC000482351309 897864632 /nfs/dbraw/zinc/86/46/32/897864632.db2.gz OCVKOQGZADIAHC-WZONZLPQSA-N 0 0 418.453 4.147 20 5 HIBDRN CN(Cc1ccc(Br)cc1Cl)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482353736 897867872 /nfs/dbraw/zinc/86/78/72/897867872.db2.gz RWABXOVCZPEXHB-UHFFFAOYSA-N 0 0 423.654 4.159 20 5 HIBDRN Cc1ccc(-c2csc(Cn3nc(-c4cccc([N+](=O)[O-])c4)ccc3=O)n2)cc1 ZINC000505511514 914199635 /nfs/dbraw/zinc/19/96/35/914199635.db2.gz FHFZAHXQWJYNCB-UHFFFAOYSA-N 0 0 404.451 4.299 20 5 HIBDRN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccc(F)c1 ZINC000482467457 898043193 /nfs/dbraw/zinc/04/31/93/898043193.db2.gz SHVLVVUAUAWFNE-UHFFFAOYSA-N 0 0 409.373 4.247 20 5 HIBDRN CN(c1ccccc1)c1ccc(CN[C@H](c2nc[nH]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000482533179 898121073 /nfs/dbraw/zinc/12/10/73/898121073.db2.gz LTNGTIGTPHNUTK-QFIPXVFZSA-N 0 0 414.469 4.360 20 5 HIBDRN C[C@](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])(C1CC1)C(F)(F)F ZINC000482560173 898152581 /nfs/dbraw/zinc/15/25/81/898152581.db2.gz BWTALGLLKKGJLL-AWEZNQCLSA-N 0 0 413.318 4.263 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000482640479 898244963 /nfs/dbraw/zinc/24/49/63/898244963.db2.gz OKCDCWOONXPQQV-UHFFFAOYSA-N 0 0 422.510 4.480 20 5 HIBDRN CCc1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC000482691377 898290624 /nfs/dbraw/zinc/29/06/24/898290624.db2.gz JUZZUAKKDRQANB-UHFFFAOYSA-N 0 0 416.441 4.089 20 5 HIBDRN CCc1c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000482699355 898299265 /nfs/dbraw/zinc/29/92/65/898299265.db2.gz UCWUAWPTAYXUJS-UHFFFAOYSA-N 0 0 402.842 4.095 20 5 HIBDRN CCc1c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cnn1-c1cccc(C)c1 ZINC000482700042 898300776 /nfs/dbraw/zinc/30/07/76/898300776.db2.gz PJRJUZPPDBLORB-UHFFFAOYSA-N 0 0 416.441 4.089 20 5 HIBDRN CCc1c(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cnn1-c1cccc(Cl)c1 ZINC000482710072 898309782 /nfs/dbraw/zinc/30/97/82/898309782.db2.gz ZEIVAAAQIVDVPX-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cnn(-c2ccccc2Cl)c1C(C)C ZINC000482728086 898329476 /nfs/dbraw/zinc/32/94/76/898329476.db2.gz BSCNWQCILGVTSW-UHFFFAOYSA-N 0 0 416.869 4.091 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482772451 898380782 /nfs/dbraw/zinc/38/07/82/898380782.db2.gz 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402.413 4.122 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1ccc(Br)s1 ZINC000485281206 900559306 /nfs/dbraw/zinc/55/93/06/900559306.db2.gz BTJWPTXZKCNLGX-SNVBAGLBSA-N 0 0 404.307 4.403 20 5 HIBDRN C[C@@H](NC(=O)CSc1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000485282513 900560919 /nfs/dbraw/zinc/56/09/19/900560919.db2.gz ZXDIXWGEZRKTQU-SECBINFHSA-N 0 0 401.307 4.388 20 5 HIBDRN O=C(Nc1ccc2c(c1)NC(=O)CC2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000485284968 900561998 /nfs/dbraw/zinc/56/19/98/900561998.db2.gz NWUVYPINUJCBPX-UHFFFAOYSA-N 0 0 416.437 4.344 20 5 HIBDRN CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](c1ccccc1)C(F)(F)F ZINC000485317632 900597738 /nfs/dbraw/zinc/59/77/38/900597738.db2.gz RZZNWCOKYRKDIL-QGZVFWFLSA-N 0 0 404.348 4.156 20 5 HIBDRN C[C@@H](COc1ccc(F)cc1F)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485353192 900648199 /nfs/dbraw/zinc/64/81/99/900648199.db2.gz RRVZQEZSWIPFKN-ZDUSSCGKSA-N 0 0 405.401 4.015 20 5 HIBDRN O=C(Nc1ccccc1NC12CC3CC(CC(C3)C1)C2)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000485370606 900667845 /nfs/dbraw/zinc/66/78/45/900667845.db2.gz FOJAZFXEYFKHDC-UHFFFAOYSA-N 0 0 408.458 4.328 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CSc1nnc(NCc2ccc(F)cc2)s1 ZINC000485373024 900670682 /nfs/dbraw/zinc/67/06/82/900670682.db2.gz NADQFKKUPOYMLC-UHFFFAOYSA-N 0 0 406.464 4.498 20 5 HIBDRN CCS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)s1 ZINC000485401885 900701018 /nfs/dbraw/zinc/70/10/18/900701018.db2.gz FOWKZCBKLSNIJN-UHFFFAOYSA-N 0 0 421.475 4.263 20 5 HIBDRN O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485431192 900727775 /nfs/dbraw/zinc/72/77/75/900727775.db2.gz ADHRZGKCBSFTLI-QFIPXVFZSA-N 0 0 423.469 4.191 20 5 HIBDRN Cc1cnn(CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)c1 ZINC000485431630 900727977 /nfs/dbraw/zinc/72/79/77/900727977.db2.gz YYBLAHUFMGRVEC-UHFFFAOYSA-N 0 0 416.547 4.400 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2cc(OC)cc(OC)c2)n1 ZINC000485456207 900750217 /nfs/dbraw/zinc/75/02/17/900750217.db2.gz RAOLGRXSRICMBH-UHFFFAOYSA-N 0 0 423.425 4.325 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCSC[C@@H]1c1ccccc1 ZINC000485474734 900768267 /nfs/dbraw/zinc/76/82/67/900768267.db2.gz AERLCPBSWOBLTD-GFCCVEGCSA-N 0 0 413.318 4.349 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCO[C@@H](COCC3CC3)C2)cc1[N+](=O)[O-] ZINC000485552555 900827077 /nfs/dbraw/zinc/82/70/77/900827077.db2.gz ZESNNLAJPLWHPT-GOSISDBHSA-N 0 0 422.547 4.001 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCCc3cccc(F)c3F)cc2[N+](=O)[O-])C1 ZINC000485568499 900838059 /nfs/dbraw/zinc/83/80/59/900838059.db2.gz JVBYNAVASRIRHI-AWEZNQCLSA-N 0 0 403.429 4.082 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(c2c(F)cccc2F)CC1 ZINC000485575224 900842739 /nfs/dbraw/zinc/84/27/39/900842739.db2.gz BEAXHNJPZGFYGH-UHFFFAOYSA-N 0 0 412.396 4.079 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000485576748 900844187 /nfs/dbraw/zinc/84/41/87/900844187.db2.gz JFCVMSKCCUQZHN-LBPRGKRZSA-N 0 0 412.776 4.143 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(c2c(F)cccc2F)CC1 ZINC000485578415 900845178 /nfs/dbraw/zinc/84/51/78/900845178.db2.gz MNLBBRDAAGUYGJ-UHFFFAOYSA-N 0 0 401.413 4.467 20 5 HIBDRN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000485587140 900851153 /nfs/dbraw/zinc/85/11/53/900851153.db2.gz VPPYCQHLAGFDNP-MRXNPFEDSA-N 0 0 407.392 4.271 20 5 HIBDRN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000485600412 900860921 /nfs/dbraw/zinc/86/09/21/900860921.db2.gz OPNBXKFNFHWHNF-CQSZACIVSA-N 0 0 417.181 4.433 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(c2c(F)cccc2F)CC1 ZINC000485610220 900868784 /nfs/dbraw/zinc/86/87/84/900868784.db2.gz CCLMCCQBOSUAHD-UHFFFAOYSA-N 0 0 412.396 4.079 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000485621979 900877305 /nfs/dbraw/zinc/87/73/05/900877305.db2.gz FAYSFBRWHYAQDY-UHFFFAOYSA-N 0 0 407.864 4.085 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000485624109 900878648 /nfs/dbraw/zinc/87/86/48/900878648.db2.gz GYNXZKFTHYVSFS-HNNXBMFYSA-N 0 0 407.474 4.127 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc3ncsc3c2)cc1SC ZINC000485639387 900891859 /nfs/dbraw/zinc/89/18/59/900891859.db2.gz DYPJGHVYXMDMLY-JTQLQIEISA-N 0 0 403.485 4.426 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(Br)c2)cc1OC ZINC000485643480 900895183 /nfs/dbraw/zinc/89/51/83/900895183.db2.gz MQLHDQDXYFQNNV-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cc(F)cc(Br)c1 ZINC000485673093 900923287 /nfs/dbraw/zinc/92/32/87/900923287.db2.gz QXXBLMPSYUBQQM-INIZCTEOSA-N 0 0 413.218 4.446 20 5 HIBDRN CC[C@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000485681784 900932959 /nfs/dbraw/zinc/93/29/59/900932959.db2.gz ISVLERSJPZZRDL-LBPRGKRZSA-N 0 0 413.247 4.224 20 5 HIBDRN COc1cc(C(=O)NCC(C(C)C)C(C)C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000485690952 900941096 /nfs/dbraw/zinc/94/10/96/900941096.db2.gz DAZCTIBDDNSVMT-UHFFFAOYSA-N 0 0 421.519 4.297 20 5 HIBDRN CCc1noc(CC)c1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485735221 900989005 /nfs/dbraw/zinc/98/90/05/900989005.db2.gz RVXKIKZXAKKFEY-UHFFFAOYSA-N 0 0 409.442 4.217 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1[N+](=O)[O-] ZINC000485737123 900990709 /nfs/dbraw/zinc/99/07/09/900990709.db2.gz WOGGNSFBTFPTSP-LBPRGKRZSA-N 0 0 414.462 4.441 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000485739362 900993350 /nfs/dbraw/zinc/99/33/50/900993350.db2.gz SLPOSULEWZJBTM-HZPDHXFCSA-N 0 0 406.891 4.483 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(I)cc2)c1[N+](=O)[O-] ZINC000485756929 901013066 /nfs/dbraw/zinc/01/30/66/901013066.db2.gz GRQXKILAVVDYCS-UHFFFAOYSA-N 0 0 414.224 4.174 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000485772443 901028737 /nfs/dbraw/zinc/02/87/37/901028737.db2.gz NEODGYNOSNZSCK-BEFAXECRSA-N 0 0 420.412 4.402 20 5 HIBDRN CC[C@H](C(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2COC)CC1)c1ccccc1 ZINC000485838348 901084044 /nfs/dbraw/zinc/08/40/44/901084044.db2.gz FTFHWNQXCBYMRD-NRFANRHFSA-N 0 0 411.502 4.338 20 5 HIBDRN CC(C)(C)c1ccc(-c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)cc1 ZINC000485843538 901087205 /nfs/dbraw/zinc/08/72/05/901087205.db2.gz JKVVFJKUQILFGE-UHFFFAOYSA-N 0 0 412.471 4.334 20 5 HIBDRN CCCN1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c2ccc(F)cc21 ZINC000485848947 901092596 /nfs/dbraw/zinc/09/25/96/901092596.db2.gz QQDTXYNAJLKGDS-UHFFFAOYSA-N 0 0 419.478 4.341 20 5 HIBDRN Cc1nc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1Br ZINC000485914491 901140329 /nfs/dbraw/zinc/14/03/29/901140329.db2.gz NNKBMTUJLTWHNN-UHFFFAOYSA-N 0 0 421.070 4.137 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 ZINC000485913636 901140844 /nfs/dbraw/zinc/14/08/44/901140844.db2.gz KTGUBCSJNPPMTL-UHFFFAOYSA-N 0 0 414.824 4.243 20 5 HIBDRN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)N2CCOCC2)o1 ZINC000485923008 901148940 /nfs/dbraw/zinc/14/89/40/901148940.db2.gz UFRXZFFFOMUBLW-GOSISDBHSA-N 0 0 403.479 4.159 20 5 HIBDRN Cc1noc(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000485967083 901184223 /nfs/dbraw/zinc/18/42/23/901184223.db2.gz NELCELHIEGUVPL-UHFFFAOYSA-N 0 0 414.849 4.395 20 5 HIBDRN COC(=O)c1cc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000485975937 901193448 /nfs/dbraw/zinc/19/34/48/901193448.db2.gz GFNHLCKOBCSMCO-AWEZNQCLSA-N 0 0 410.348 4.365 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)F)c(C)c([N+](=O)[O-])c1 ZINC000485981268 901200841 /nfs/dbraw/zinc/20/08/41/901200841.db2.gz OLFPQMBIICSECP-KBPBESRZSA-N 0 0 420.368 4.033 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H](C)CSc2ccc(F)cc2)c(C)c([N+](=O)[O-])c1 ZINC000485984947 901203697 /nfs/dbraw/zinc/20/36/97/901203697.db2.gz YRXHQPUDFDRQBU-NSHDSACASA-N 0 0 406.435 4.196 20 5 HIBDRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000485987958 901206647 /nfs/dbraw/zinc/20/66/47/901206647.db2.gz XLBWQJNTQFXRGR-INIZCTEOSA-N 0 0 406.822 4.139 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000486017591 901225512 /nfs/dbraw/zinc/22/55/12/901225512.db2.gz PQFXOTQJDGTFAS-UHFFFAOYSA-N 0 0 415.446 4.473 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1Oc1nc2c(cccc2F)o1 ZINC000486021245 901228574 /nfs/dbraw/zinc/22/85/74/901228574.db2.gz SYFZIZBLBMEFCD-UHFFFAOYSA-N 0 0 400.103 4.272 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000486103559 901290240 /nfs/dbraw/zinc/29/02/40/901290240.db2.gz RDTVDZXLWMAYRC-JTQLQIEISA-N 0 0 411.277 4.485 20 5 HIBDRN CCOc1ccc(NC(=O)CNc2cc(C)cc(Br)c2)c([N+](=O)[O-])c1 ZINC000486110207 901295710 /nfs/dbraw/zinc/29/57/10/901295710.db2.gz PXNFRBMRLJQYGP-UHFFFAOYSA-N 0 0 408.252 4.115 20 5 HIBDRN CCn1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nc2cc(C)ccc21 ZINC000486113548 901299554 /nfs/dbraw/zinc/29/95/54/901299554.db2.gz CIXZRTSUNLLERT-UHFFFAOYSA-N 0 0 409.265 4.349 20 5 HIBDRN CC[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000486144142 901331815 /nfs/dbraw/zinc/33/18/15/901331815.db2.gz KYNDWTUXUZMGSU-HNNXBMFYSA-N 0 0 410.243 4.447 20 5 HIBDRN Cn1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000486147935 901335714 /nfs/dbraw/zinc/33/57/14/901335714.db2.gz CZJAACCYJBXSQW-UHFFFAOYSA-N 0 0 420.347 4.178 20 5 HIBDRN CC[C@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000486162140 901350695 /nfs/dbraw/zinc/35/06/95/901350695.db2.gz GDYPSTLFSKZCRN-SNVBAGLBSA-N 0 0 417.256 4.145 20 5 HIBDRN CC(C)(NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000486166414 901353459 /nfs/dbraw/zinc/35/34/59/901353459.db2.gz PVAKKUIVCFDGRZ-UHFFFAOYSA-N 0 0 405.220 4.362 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000486171408 901357718 /nfs/dbraw/zinc/35/77/18/901357718.db2.gz GCGJMMGYTKSQHB-QGZVFWFLSA-N 0 0 413.405 4.028 20 5 HIBDRN O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1sc(Br)cc1[N+](=O)[O-] ZINC000486185695 901371083 /nfs/dbraw/zinc/37/10/83/901371083.db2.gz LMLHJISQQICSLB-JTQLQIEISA-N 0 0 401.204 4.270 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1F ZINC000486188092 901373938 /nfs/dbraw/zinc/37/39/38/901373938.db2.gz OSVASLLUHBNBHY-ZETCQYMHSA-N 0 0 403.229 4.058 20 5 HIBDRN COc1ccc(C(C)(C)CNC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1OC ZINC000486192562 901377530 /nfs/dbraw/zinc/37/75/30/901377530.db2.gz LACZLOIZKUYZFK-UHFFFAOYSA-N 0 0 404.488 4.042 20 5 HIBDRN CSc1cccc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)c1[N+](=O)[O-] ZINC000486204769 901389381 /nfs/dbraw/zinc/38/93/81/901389381.db2.gz QHQDLKWSKOTISW-UHFFFAOYSA-N 0 0 420.918 4.448 20 5 HIBDRN CSc1cccc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000486229344 901413024 /nfs/dbraw/zinc/41/30/24/901413024.db2.gz IZHHZBFKBQIAIM-MRXNPFEDSA-N 0 0 404.463 4.277 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000486231310 901414650 /nfs/dbraw/zinc/41/46/50/901414650.db2.gz UYPPFQDNZCKNGX-UHFFFAOYSA-N 0 0 402.472 4.374 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2CCc3c2cccc3Br)c1[N+](=O)[O-] ZINC000486231949 901414760 /nfs/dbraw/zinc/41/47/60/901414760.db2.gz SUTIGKDWSZZJHH-CQSZACIVSA-N 0 0 407.289 4.497 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000486240359 901422173 /nfs/dbraw/zinc/42/21/73/901422173.db2.gz AQBGVRHMOGOTPQ-AWEZNQCLSA-N 0 0 402.472 4.435 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000486248811 901432741 /nfs/dbraw/zinc/43/27/41/901432741.db2.gz GZYCNNGQDYJBMX-FPOVZHCZSA-N 0 0 406.442 4.114 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1cccc2ccccc21 ZINC000486277875 901461539 /nfs/dbraw/zinc/46/15/39/901461539.db2.gz BRPSUQYSAUNNQL-UHFFFAOYSA-N 0 0 409.467 4.229 20 5 HIBDRN COc1ccc([C@@H](NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(F)(F)F)cc1 ZINC000505896360 914537801 /nfs/dbraw/zinc/53/78/01/914537801.db2.gz QXDBGFOOOUFUCE-GOSISDBHSA-N 0 0 411.380 4.134 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000486295128 901476336 /nfs/dbraw/zinc/47/63/36/901476336.db2.gz UZHMBBVGIFEFTE-PXNSSMCTSA-N 0 0 417.893 4.258 20 5 HIBDRN COc1ccc(N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c(OC)c1 ZINC000486318537 901496429 /nfs/dbraw/zinc/49/64/29/901496429.db2.gz JVMXLHPZZNYUKK-UHFFFAOYSA-N 0 0 422.437 4.468 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccccc3C)c2CC)cc1OC ZINC000486407678 901568693 /nfs/dbraw/zinc/56/86/93/901568693.db2.gz UNHOMIPMUDBBAZ-UHFFFAOYSA-N 0 0 424.457 4.311 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)c1[N+](=O)[O-] ZINC000486414686 901573941 /nfs/dbraw/zinc/57/39/41/901573941.db2.gz XCRPUPFTUPZKAU-UHFFFAOYSA-N 0 0 423.450 4.460 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000486416070 901574718 /nfs/dbraw/zinc/57/47/18/901574718.db2.gz CEZTYWGPTQQFAB-OAHLLOKOSA-N 0 0 400.378 4.359 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCSCC[C@H]2C)cc1 ZINC000486416435 901575009 /nfs/dbraw/zinc/57/50/09/901575009.db2.gz LTEOVTXCMKRRTJ-CQSZACIVSA-N 0 0 402.472 4.363 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(O)c(Br)c1 ZINC000486426087 901585707 /nfs/dbraw/zinc/58/57/07/901585707.db2.gz DZPVAHJRDNEKIR-UHFFFAOYSA-N 0 0 422.279 4.183 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1[N+](=O)[O-] ZINC000486431105 901589773 /nfs/dbraw/zinc/58/97/73/901589773.db2.gz IUQLHRZUPRJBHQ-LLVKDONJSA-N 0 0 416.434 4.305 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1[N+](=O)[O-] ZINC000486436992 901596088 /nfs/dbraw/zinc/59/60/88/901596088.db2.gz VPFQZXPKLAPMCE-UHFFFAOYSA-N 0 0 408.439 4.216 20 5 HIBDRN CN(C)[C@@H](CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 ZINC000486440954 901600657 /nfs/dbraw/zinc/60/06/57/901600657.db2.gz XNYMPLXXPRWSHT-IBGZPJMESA-N 0 0 411.483 4.372 20 5 HIBDRN COc1cccc2c1CCN(c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])CC2 ZINC000486477331 901635931 /nfs/dbraw/zinc/63/59/31/901635931.db2.gz HOUCLKOSLIUBPA-UHFFFAOYSA-N 0 0 417.334 4.258 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(NCc3ccnc(Oc4ccccc4F)c3)cc2N1 ZINC000486479972 901639345 /nfs/dbraw/zinc/63/93/45/901639345.db2.gz OSOGEICISGWODA-UHFFFAOYSA-N 0 0 408.389 4.418 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ccc(F)cc1Br ZINC000486490402 901644103 /nfs/dbraw/zinc/64/41/03/901644103.db2.gz HCDFFFGBNFNTPI-XFFZJAGNSA-N 0 0 416.206 4.151 20 5 HIBDRN COC[C@H](c1ccc(Cl)cc1)N(C)c1ncc([N+](=O)[O-])cc1Br ZINC000486495534 901647409 /nfs/dbraw/zinc/64/74/09/901647409.db2.gz GIWQPLXWLJFNHY-CQSZACIVSA-N 0 0 400.660 4.230 20 5 HIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccccc1NCc1ccco1 ZINC000486562599 901708837 /nfs/dbraw/zinc/70/88/37/901708837.db2.gz PFWSXFLNPWHTJW-UHFFFAOYSA-N 0 0 403.398 4.442 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN(C2CC2)c2cc(Cl)ccc21 ZINC000486639506 901769186 /nfs/dbraw/zinc/76/91/86/901769186.db2.gz POQLOXNZAXXEDY-UHFFFAOYSA-N 0 0 408.845 4.426 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 ZINC000505919086 914564661 /nfs/dbraw/zinc/56/46/61/914564661.db2.gz NRSREUSNOQWGGE-UHFFFAOYSA-N 0 0 423.516 4.029 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccc(N2CCCC2=O)c1 ZINC000486667853 901785377 /nfs/dbraw/zinc/78/53/77/901785377.db2.gz YXSMGLOFDKFACY-UHFFFAOYSA-N 0 0 422.363 4.062 20 5 HIBDRN O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486680861 901792869 /nfs/dbraw/zinc/79/28/69/901792869.db2.gz BCDGHRDIKBLOGU-UHFFFAOYSA-N 0 0 422.281 4.371 20 5 HIBDRN O=C(CSc1ccc(F)c(F)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486686977 901796003 /nfs/dbraw/zinc/79/60/03/901796003.db2.gz VAFQQJUDLFUBOI-UHFFFAOYSA-N 0 0 406.332 4.300 20 5 HIBDRN O=C(Cc1ccc(OC(F)F)cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486700242 901801214 /nfs/dbraw/zinc/80/12/14/901801214.db2.gz ZCYKVCYBNXOXSR-UHFFFAOYSA-N 0 0 404.291 4.074 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000486716715 901810435 /nfs/dbraw/zinc/81/04/35/901810435.db2.gz KTALIHRQVZGSRP-UONOGXRCSA-N 0 0 400.303 4.312 20 5 HIBDRN C/C=C\c1ccc(OCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(OC)c1 ZINC000486729165 901817992 /nfs/dbraw/zinc/81/79/92/901817992.db2.gz KOVHLUDCUUFLDQ-ARJAWSKDSA-N 0 0 424.375 4.351 20 5 HIBDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000486729705 901818164 /nfs/dbraw/zinc/81/81/64/901818164.db2.gz LYZDPFTYIHJQSG-PIGZYNQJSA-N 0 0 421.375 4.138 20 5 HIBDRN O=C(NCCC1CCOCC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000486739203 901823002 /nfs/dbraw/zinc/82/30/02/901823002.db2.gz DVOVLSHILWXDAL-UHFFFAOYSA-N 0 0 417.893 4.407 20 5 HIBDRN CCCCc1nnc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000486755375 901831404 /nfs/dbraw/zinc/83/14/04/901831404.db2.gz TZWVWOUWEHKTJF-UHFFFAOYSA-N 0 0 403.386 4.129 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000486805972 901864636 /nfs/dbraw/zinc/86/46/36/901864636.db2.gz SUDHFVJDERSIIP-HOTGVXAUSA-N 0 0 421.563 4.156 20 5 HIBDRN Cc1ccnc(-c2n[nH]c([C@@H](C)NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)n2)c1 ZINC000486810276 901867142 /nfs/dbraw/zinc/86/71/42/901867142.db2.gz QKNOXMWHWJCPHA-CQSZACIVSA-N 0 0 404.430 4.194 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)cc1SC ZINC000486847770 901894069 /nfs/dbraw/zinc/89/40/69/901894069.db2.gz RUWXAHJHTUFJFR-OAHLLOKOSA-N 0 0 418.368 4.498 20 5 HIBDRN COC(=O)c1cc(NC(=O)Nc2cccc(COC(C)C)c2)c(C)c([N+](=O)[O-])c1 ZINC000486856719 901902420 /nfs/dbraw/zinc/90/24/20/901902420.db2.gz PVKJDOWCHIDKCX-UHFFFAOYSA-N 0 0 401.419 4.259 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@H]2Cc2ccccc2C)c(C)c([N+](=O)[O-])c1 ZINC000486873952 901919738 /nfs/dbraw/zinc/91/97/38/901919738.db2.gz VLCWKWVCYGHVNT-SFHVURJKSA-N 0 0 411.458 4.237 20 5 HIBDRN 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ZINC000487034369 902030779 /nfs/dbraw/zinc/03/07/79/902030779.db2.gz IMXIPDBNOKUZDF-UHFFFAOYSA-N 0 0 412.364 4.339 20 5 HIBDRN C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000487042190 902036491 /nfs/dbraw/zinc/03/64/91/902036491.db2.gz OMALBLLVRVQMRY-HKUYNNGSSA-N 0 0 406.527 4.111 20 5 HIBDRN CCOc1ccccc1[C@@H](CC)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000505936200 914587450 /nfs/dbraw/zinc/58/74/50/914587450.db2.gz BUWAJXVECPRLKM-LJQANCHMSA-N 0 0 411.502 4.477 20 5 HIBDRN COc1cc(N[C@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000487113219 902062460 /nfs/dbraw/zinc/06/24/60/902062460.db2.gz WDCKWNUAMFHKFM-HNNXBMFYSA-N 0 0 408.458 4.241 20 5 HIBDRN COc1cc(N[C@@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000487113220 902062993 /nfs/dbraw/zinc/06/29/93/902062993.db2.gz WDCKWNUAMFHKFM-OAHLLOKOSA-N 0 0 408.458 4.241 20 5 HIBDRN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000487135976 902069913 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DPKHNZJHCDEAFB-UHFFFAOYSA-N 0 0 416.547 4.398 20 5 HIBDRN CSc1ccc(C(=O)N2CCN(c3cccc4cnccc43)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000487587469 902247718 /nfs/dbraw/zinc/24/77/18/902247718.db2.gz XBMWQXPUDAUMNA-HNNXBMFYSA-N 0 0 422.510 4.216 20 5 HIBDRN CC(C)c1c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cnn1-c1ccccc1 ZINC000487705010 902302551 /nfs/dbraw/zinc/30/25/51/902302551.db2.gz LVBXRQLOGRMASC-UHFFFAOYSA-N 0 0 400.385 4.363 20 5 HIBDRN CC(=O)NCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1 ZINC000487711330 902307852 /nfs/dbraw/zinc/30/78/52/902307852.db2.gz MIEULBHBRDWKIH-UHFFFAOYSA-N 0 0 401.488 4.231 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000487853338 902406566 /nfs/dbraw/zinc/40/65/66/902406566.db2.gz QRSAGKWCJZYVAO-AWEZNQCLSA-N 0 0 401.463 4.216 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000505963911 914622802 /nfs/dbraw/zinc/62/28/02/914622802.db2.gz HYFHXKXZMNHOII-HNNXBMFYSA-N 0 0 417.506 4.492 20 5 HIBDRN O=c1c2ccccc2n(Cc2cc(Br)cc3cccnc32)cc1[N+](=O)[O-] ZINC000487877689 902422946 /nfs/dbraw/zinc/42/29/46/902422946.db2.gz UIJZUAKEMCJMTG-UHFFFAOYSA-N 0 0 410.227 4.269 20 5 HIBDRN CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)[C@H]2CCCO[C@@H]21 ZINC000487941223 902471333 /nfs/dbraw/zinc/47/13/33/902471333.db2.gz FCCFUVJHLIEGBY-UIFIKXQLSA-N 0 0 409.486 4.140 20 5 HIBDRN CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000487941226 902472423 /nfs/dbraw/zinc/47/24/23/902472423.db2.gz FCCFUVJHLIEGBY-WMQCIHAUSA-N 0 0 409.486 4.140 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000487946865 902476464 /nfs/dbraw/zinc/47/64/64/902476464.db2.gz OEZXAIJRHDMYNP-ACJLOTCBSA-N 0 0 404.463 4.448 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000487990780 902514215 /nfs/dbraw/zinc/51/42/15/902514215.db2.gz TXKPNAZUBUKBDU-LBPRGKRZSA-N 0 0 406.364 4.149 20 5 HIBDRN Cc1noc(CSc2ccc(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 ZINC000488010689 902530754 /nfs/dbraw/zinc/53/07/54/902530754.db2.gz QMBAALMJLOHHJR-CYBMUJFWSA-N 0 0 412.471 4.378 20 5 HIBDRN COc1ccc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1OC1CCCC1 ZINC000488012603 902532450 /nfs/dbraw/zinc/53/24/50/902532450.db2.gz ZIYJKCVIKMXRPV-UHFFFAOYSA-N 0 0 411.458 4.422 20 5 HIBDRN Cc1c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnn1-c1ccc(OC(C)C)cc1 ZINC000488033737 902552344 /nfs/dbraw/zinc/55/23/44/902552344.db2.gz REBNYQXVNNBEEX-OAHLLOKOSA-N 0 0 423.473 4.071 20 5 HIBDRN COc1ccc(SCCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000488035819 902553510 /nfs/dbraw/zinc/55/35/10/902553510.db2.gz XZGXHNLARUVADQ-CQSZACIVSA-N 0 0 404.488 4.280 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000488039961 902558183 /nfs/dbraw/zinc/55/81/83/902558183.db2.gz JQTHLDXDTASKIB-WMZOPIPTSA-N 0 0 410.474 4.025 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)CCCc2nc(-c3cccs3)no2)cc1[N+](=O)[O-] ZINC000488042776 902559509 /nfs/dbraw/zinc/55/95/09/902559509.db2.gz PGGWVKKRLZIJBQ-ZDUSSCGKSA-N 0 0 400.460 4.215 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000488055879 902569779 /nfs/dbraw/zinc/56/97/79/902569779.db2.gz JJESYYRJJZHKAP-FGTMMUONSA-N 0 0 411.502 4.003 20 5 HIBDRN Cc1noc(CSc2ccccc2C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000488059036 902573237 /nfs/dbraw/zinc/57/32/37/902573237.db2.gz FMRFVZGZVYHAQB-CYBMUJFWSA-N 0 0 412.471 4.378 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2occc2CN2C(=O)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000488076810 902586093 /nfs/dbraw/zinc/58/60/93/902586093.db2.gz FLLXPDAMFDMKMH-HNNXBMFYSA-N 0 0 419.437 4.077 20 5 HIBDRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488092698 902596053 /nfs/dbraw/zinc/59/60/53/902596053.db2.gz VNUDFRSWNZNUCW-UHFFFAOYSA-N 0 0 423.477 4.105 20 5 HIBDRN COc1ccc(Nc2c3ccccc3ncc2[N+](=O)[O-])cc1Oc1ccc(C)nn1 ZINC000488096690 902599936 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403.866 4.218 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000505986391 914652852 /nfs/dbraw/zinc/65/28/52/914652852.db2.gz IGTAYOMREHHQRZ-CYBMUJFWSA-N 0 0 408.241 4.202 20 5 HIBDRN CC[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000488267683 902736413 /nfs/dbraw/zinc/73/64/13/902736413.db2.gz AJBHDZBYDFZVAC-CQSZACIVSA-N 0 0 401.854 4.118 20 5 HIBDRN CSc1cccc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c1[N+](=O)[O-] ZINC000505988984 914656476 /nfs/dbraw/zinc/65/64/76/914656476.db2.gz BOTZPULWZNHBQR-UHFFFAOYSA-N 0 0 411.405 4.447 20 5 HIBDRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000488381154 902789682 /nfs/dbraw/zinc/78/96/82/902789682.db2.gz FBYFJBTZSVXDEF-UHFFFAOYSA-N 0 0 415.471 4.042 20 5 HIBDRN COc1ccc(Br)c(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000488393654 902803949 /nfs/dbraw/zinc/80/39/49/902803949.db2.gz DINSPWYERBNMPB-UHFFFAOYSA-N 0 0 422.279 4.100 20 5 HIBDRN 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UHSHRVLLPHNUFA-UHFFFAOYSA-N 0 0 415.494 4.366 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000488894652 903064554 /nfs/dbraw/zinc/06/45/54/903064554.db2.gz JRSKJNCUZFVJHF-UHFFFAOYSA-N 0 0 412.490 4.080 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000488931283 903082414 /nfs/dbraw/zinc/08/24/14/903082414.db2.gz CKEVBULYLILQPL-UHFFFAOYSA-N 0 0 408.376 4.430 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCS[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000488976148 903102725 /nfs/dbraw/zinc/10/27/25/903102725.db2.gz FJNWFJHIMJSJTH-YJBOKZPZSA-N 0 0 410.561 4.080 20 5 HIBDRN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000489031564 903137097 /nfs/dbraw/zinc/13/70/97/903137097.db2.gz TVRMAWKEFXEESP-CQSZACIVSA-N 0 0 401.438 4.230 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H]3CCOC4(CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000489079260 903181759 /nfs/dbraw/zinc/18/17/59/903181759.db2.gz RTDAJUMVRNGMEA-ZHALLVOQSA-N 0 0 415.534 4.299 20 5 HIBDRN O=C([C@@H]1COc2ccc(Cl)cc21)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000489131260 903220193 /nfs/dbraw/zinc/22/01/93/903220193.db2.gz PISMXFGJEVDTIB-CQSZACIVSA-N 0 0 414.767 4.315 20 5 HIBDRN O=C([C@H]1COc2ccc(Cl)cc21)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000489131256 903220407 /nfs/dbraw/zinc/22/04/07/903220407.db2.gz PISMXFGJEVDTIB-AWEZNQCLSA-N 0 0 414.767 4.315 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCOC4(CCC4)C3)cc2[N+](=O)[O-])n1 ZINC000489162627 903237807 /nfs/dbraw/zinc/23/78/07/903237807.db2.gz SJKHCAOBWNPVFW-CQSZACIVSA-N 0 0 419.528 4.342 20 5 HIBDRN CC[C@@H](NC(=O)NCc1cn(-c2ccc(F)cc2)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000489161139 903238561 /nfs/dbraw/zinc/23/85/61/903238561.db2.gz TXCRODNLNAQTDI-HXUWFJFHSA-N 0 0 411.437 4.179 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000489183090 903248603 /nfs/dbraw/zinc/24/86/03/903248603.db2.gz ZUXNRQWJKHKWKR-OAHLLOKOSA-N 0 0 415.515 4.114 20 5 HIBDRN CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[nH]1 ZINC000489190092 903249965 /nfs/dbraw/zinc/24/99/65/903249965.db2.gz SHPUUGRCKZGAQF-CABCVRRESA-N 0 0 422.489 4.330 20 5 HIBDRN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[nH]1 ZINC000489190094 903250892 /nfs/dbraw/zinc/25/08/92/903250892.db2.gz SHPUUGRCKZGAQF-HUUCEWRRSA-N 0 0 422.489 4.330 20 5 HIBDRN O=C(NCCc1cccc(C(F)(F)F)n1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000489207167 903262897 /nfs/dbraw/zinc/26/28/97/903262897.db2.gz QVNJDCOYSGXYKX-UHFFFAOYSA-N 0 0 411.383 4.068 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1[N+](=O)[O-] ZINC000489253660 903289873 /nfs/dbraw/zinc/28/98/73/903289873.db2.gz NZJPJXXVUIVHIL-KRWDZBQOSA-N 0 0 420.469 4.438 20 5 HIBDRN Cc1cc(Sc2n[nH]c(Cc3cccs3)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489279324 903304281 /nfs/dbraw/zinc/30/42/81/903304281.db2.gz USGSPBGLWUSOGZ-UHFFFAOYSA-N 0 0 410.484 4.282 20 5 HIBDRN CCn1c(SC[C@@H](O)Cc2cccc(Cl)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489336484 903337714 /nfs/dbraw/zinc/33/77/14/903337714.db2.gz VCYNZWNDCCFQDL-KRWDZBQOSA-N 0 0 418.906 4.222 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(-c3ccco3)cc2F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000489348992 903342066 /nfs/dbraw/zinc/34/20/66/903342066.db2.gz NISXEMJVLHNUCL-UHFFFAOYSA-N 0 0 407.361 4.135 20 5 HIBDRN CC[C@H](NC(=O)NCc1cc(Cl)c2c(c1)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000489355183 903343138 /nfs/dbraw/zinc/34/31/38/903343138.db2.gz DUJTZHUSXSZLCP-KRWDZBQOSA-N 0 0 419.865 4.360 20 5 HIBDRN CCOC(=O)[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)c1ccccc1 ZINC000489390614 903360598 /nfs/dbraw/zinc/36/05/98/903360598.db2.gz PZDYOYKKMXBGEN-QGZVFWFLSA-N 0 0 412.471 4.270 20 5 HIBDRN CCn1c(SCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489397017 903365511 /nfs/dbraw/zinc/36/55/11/903365511.db2.gz AZDGMRQOPVUIPS-WMLDXEAASA-N 0 0 417.535 4.002 20 5 HIBDRN CCn1c(S[C@H](C)c2ccc(C(=O)OC)o2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489398661 903366082 /nfs/dbraw/zinc/36/60/82/903366082.db2.gz GBOXGMNIEQDHCP-LLVKDONJSA-N 0 0 402.432 4.106 20 5 HIBDRN CCn1c(S[C@H](C)c2cn(-c3ccccc3)nn2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489399043 903367640 /nfs/dbraw/zinc/36/76/40/903367640.db2.gz IUMPTYXSYJUYLZ-CQSZACIVSA-N 0 0 421.486 4.307 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc([N+](=O)[O-])c1 ZINC000489400883 903368385 /nfs/dbraw/zinc/36/83/85/903368385.db2.gz KEIBRPNJPHRWJJ-UHFFFAOYSA-N 0 0 422.441 4.333 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CSc2ccc(Br)cc21 ZINC000489642505 903511640 /nfs/dbraw/zinc/51/16/40/903511640.db2.gz IBWXKCAOFAOZKS-CQSZACIVSA-N 0 0 411.252 4.002 20 5 HIBDRN CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1cccnc1 ZINC000489653336 903518440 /nfs/dbraw/zinc/51/84/40/903518440.db2.gz JCYRQYNTWGSBRP-LBPRGKRZSA-N 0 0 423.458 4.172 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(CCCc2ccccc2)o1 ZINC000489654477 903519970 /nfs/dbraw/zinc/51/99/70/903519970.db2.gz MCDKYLXHLGLSRV-UHFFFAOYSA-N 0 0 412.471 4.192 20 5 HIBDRN Cc1ccc(-n2c(SCCn3cc([N+](=O)[O-])cn3)nnc2-c2cccs2)cc1 ZINC000489662933 903527751 /nfs/dbraw/zinc/52/77/51/903527751.db2.gz SJLIDMRBLLDSCG-UHFFFAOYSA-N 0 0 412.500 4.201 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NCCCOC2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000489677000 903538218 /nfs/dbraw/zinc/53/82/18/903538218.db2.gz HLNCVZCWYKUFAU-INIZCTEOSA-N 0 0 412.490 4.242 20 5 HIBDRN C[C@@H]1CN(c2ccccc2NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000489701841 903547597 /nfs/dbraw/zinc/54/75/97/903547597.db2.gz AWRWQOVGMVDSEK-CALCHBBNSA-N 0 0 412.490 4.039 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2sc(C3CCCC3)nc2C)c(C)c([N+](=O)[O-])c1 ZINC000489746226 903572703 /nfs/dbraw/zinc/57/27/03/903572703.db2.gz OUHPEXIJCSLGMC-UHFFFAOYSA-N 0 0 403.460 4.365 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(Cl)ccc2OC(C)C)c(C)c([N+](=O)[O-])c1 ZINC000489754658 903581037 /nfs/dbraw/zinc/58/10/37/903581037.db2.gz PFFFFRSPYWTKRW-UHFFFAOYSA-N 0 0 406.822 4.383 20 5 HIBDRN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000489909492 903666629 /nfs/dbraw/zinc/66/66/29/903666629.db2.gz QMRYPUNZOABDJU-CYBMUJFWSA-N 0 0 422.359 4.070 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc1[N+](=O)[O-] ZINC000489915800 903672374 /nfs/dbraw/zinc/67/23/74/903672374.db2.gz HFWBBEFGJIFQNA-AUUYWEPGSA-N 0 0 404.898 4.220 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000489966112 903701899 /nfs/dbraw/zinc/70/18/99/903701899.db2.gz NTYZZHOGLJHRBV-QZTJIDSGSA-N 0 0 421.501 4.393 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490028143 903732029 /nfs/dbraw/zinc/73/20/29/903732029.db2.gz VKUNLHWYXGJUQY-HNNXBMFYSA-N 0 0 414.531 4.057 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000490066612 903757480 /nfs/dbraw/zinc/75/74/80/903757480.db2.gz LXJPOVYAYNMUHZ-UWVGGRQHSA-N 0 0 402.398 4.056 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(OC(F)F)c3ncccc23)c([N+](=O)[O-])cc1OC ZINC000490225057 903836236 /nfs/dbraw/zinc/83/62/36/903836236.db2.gz POYYHPOGFXHILT-UHFFFAOYSA-N 0 0 419.340 4.014 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nnc(/C=C\c2ccco2)s1 ZINC000490290759 903878873 /nfs/dbraw/zinc/87/88/73/903878873.db2.gz SYMAADPMXDKYNF-BXKUYDPTSA-N 0 0 420.834 4.269 20 5 HIBDRN CCOCCOc1ccc(Br)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000490290227 903879230 /nfs/dbraw/zinc/87/92/30/903879230.db2.gz REUHYMKHDQCOHZ-UHFFFAOYSA-N 0 0 423.263 4.333 20 5 HIBDRN COc1cc(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c([N+](=O)[O-])cc1OC ZINC000490346658 903941382 /nfs/dbraw/zinc/94/13/82/903941382.db2.gz GPNHDRPPELRKOE-UHFFFAOYSA-N 0 0 410.430 4.173 20 5 HIBDRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000490377345 903970920 /nfs/dbraw/zinc/97/09/20/903970920.db2.gz ZBZAZQDIAVKWLQ-SECBINFHSA-N 0 0 422.228 4.093 20 5 HIBDRN COc1cc(CN2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)F 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ZINC000490877618 904300203 /nfs/dbraw/zinc/30/02/03/904300203.db2.gz LAVGDAVUYYNEEK-INIZCTEOSA-N 0 0 419.359 4.315 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000490897432 904308271 /nfs/dbraw/zinc/30/82/71/904308271.db2.gz CEWGDMYXBGLHAP-CQSZACIVSA-N 0 0 402.319 4.268 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@]2(c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000490905602 904312069 /nfs/dbraw/zinc/31/20/69/904312069.db2.gz CJMVJPKVGLOWFG-IBGZPJMESA-N 0 0 424.375 4.306 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000490917395 904316960 /nfs/dbraw/zinc/31/69/60/904316960.db2.gz ZCJGBMQMWPLWTR-QGZVFWFLSA-N 0 0 405.376 4.402 20 5 HIBDRN COc1cc(OCC(=O)N2CCC[C@]2(c2ccccc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000490920555 904318051 /nfs/dbraw/zinc/31/80/51/904318051.db2.gz UEHBWOKDZBXLQC-IBGZPJMESA-N 0 0 424.375 4.062 20 5 HIBDRN CCc1ccc(C(=O)Nc2cc(Br)c(OC)cc2OC)cc1[N+](=O)[O-] ZINC000490945156 904329929 /nfs/dbraw/zinc/32/99/29/904329929.db2.gz XHIWMQHFQBLINZ-UHFFFAOYSA-N 0 0 409.236 4.189 20 5 HIBDRN CCn1c(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])nc2ccc(F)cc21 ZINC000490956525 904335736 /nfs/dbraw/zinc/33/57/36/904335736.db2.gz VNQNPNHKUZPGKK-UHFFFAOYSA-N 0 0 404.423 4.086 20 5 HIBDRN COc1ccccc1OC[C@H](C)CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000490963114 904339828 /nfs/dbraw/zinc/33/98/28/904339828.db2.gz GMHBIXURYKSALK-QGZVFWFLSA-N 0 0 415.490 4.239 20 5 HIBDRN COc1cc(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000490990521 904354743 /nfs/dbraw/zinc/35/47/43/904354743.db2.gz STSXSLRWGLHMGQ-CQSZACIVSA-N 0 0 412.364 4.078 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cnn(Cc2ccccc2)c1 ZINC000490994972 904357203 /nfs/dbraw/zinc/35/72/03/904357203.db2.gz JZZJAONAZVJWFB-QGZVFWFLSA-N 0 0 419.485 4.275 20 5 HIBDRN O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000491003519 904362947 /nfs/dbraw/zinc/36/29/47/904362947.db2.gz FGQGYIYJHBTGDQ-HNNXBMFYSA-N 0 0 418.375 4.247 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000491003100 904363027 /nfs/dbraw/zinc/36/30/27/904363027.db2.gz MLRCADOKYBUQLS-HNNXBMFYSA-N 0 0 414.531 4.138 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000491029470 904380867 /nfs/dbraw/zinc/38/08/67/904380867.db2.gz VOAJCGHFAKVMII-UHFFFAOYSA-N 0 0 402.451 4.288 20 5 HIBDRN COc1ccc(CN(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1C ZINC000491182403 904470521 /nfs/dbraw/zinc/47/05/21/904470521.db2.gz JQCNOLQYQBQVDA-UHFFFAOYSA-N 0 0 410.417 4.196 20 5 HIBDRN C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000491195499 904477260 /nfs/dbraw/zinc/47/72/60/904477260.db2.gz WFVTUKQKGHWZKU-CQSZACIVSA-N 0 0 418.906 4.166 20 5 HIBDRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491310711 904530374 /nfs/dbraw/zinc/53/03/74/904530374.db2.gz DXGHKLNOBPLNDJ-KRWDZBQOSA-N 0 0 414.893 4.201 20 5 HIBDRN Cc1c(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000491455893 904603655 /nfs/dbraw/zinc/60/36/55/904603655.db2.gz KCIDMBUNCAUTEL-UHFFFAOYSA-N 0 0 402.472 4.262 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NCc2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccccn1 ZINC000506165268 914830703 /nfs/dbraw/zinc/83/07/03/914830703.db2.gz SNFKHRVRDSNWOF-ZDUSSCGKSA-N 0 0 412.396 4.371 20 5 HIBDRN COc1ccc(CN(Cc2ccccc2)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000491755418 904691789 /nfs/dbraw/zinc/69/17/89/904691789.db2.gz AYNMOLDYIDEUAI-UHFFFAOYSA-N 0 0 416.437 4.322 20 5 HIBDRN O=[N+]([O-])c1ccc(N(CCO)Cc2cc(Br)cs2)cc1OC(F)F ZINC000491770776 904696790 /nfs/dbraw/zinc/69/67/90/904696790.db2.gz ZLZOJKZDVLZZNC-UHFFFAOYSA-N 0 0 423.235 4.019 20 5 HIBDRN CO[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000491959560 904744377 /nfs/dbraw/zinc/74/43/77/904744377.db2.gz RIAJKEPVYWRMLN-QFIPXVFZSA-N 0 0 406.438 4.291 20 5 HIBDRN CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000506195594 914841324 /nfs/dbraw/zinc/84/13/24/914841324.db2.gz ZEYJBESEFIMZAG-UHFFFAOYSA-N 0 0 417.219 4.049 20 5 HIBDRN Cc1ccc(C(=O)N2CCC(Nc3ccc([N+](=O)[O-])cc3Br)CC2)cc1 ZINC000492100583 904799103 /nfs/dbraw/zinc/79/91/03/904799103.db2.gz NSFNSRUONJZGAL-UHFFFAOYSA-N 0 0 418.291 4.382 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000506205843 914844331 /nfs/dbraw/zinc/84/43/31/914844331.db2.gz IBJFQLFAULDIQQ-FQEVSTJZSA-N 0 0 407.474 4.130 20 5 HIBDRN COCc1ccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 ZINC000506206367 914844518 /nfs/dbraw/zinc/84/45/18/914844518.db2.gz UGSUSYYTQBTDRD-INIZCTEOSA-N 0 0 420.469 4.239 20 5 HIBDRN O=C(Nc1ccc(Oc2cccnc2)nc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000492219816 904816803 /nfs/dbraw/zinc/81/68/03/904816803.db2.gz MNWBRFZNGZPCPL-UHFFFAOYSA-N 0 0 404.304 4.448 20 5 HIBDRN COc1cc([C@H](NCc2cccc([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC ZINC000492493128 904859392 /nfs/dbraw/zinc/85/93/92/904859392.db2.gz XSSJHYKFQDFQRG-KRWDZBQOSA-N 0 0 400.353 4.014 20 5 HIBDRN CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000492513153 904861898 /nfs/dbraw/zinc/86/18/98/904861898.db2.gz FJWYTXFYIQQHCY-GOSISDBHSA-N 0 0 419.466 4.303 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(C)c(Br)c(C)c1 ZINC000492556956 904868494 /nfs/dbraw/zinc/86/84/94/904868494.db2.gz HFZYDFASWVFJNV-UHFFFAOYSA-N 0 0 408.252 4.033 20 5 HIBDRN CCOc1cc(CN[C@H](c2ccc(C(=O)OC)cc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492818391 904912629 /nfs/dbraw/zinc/91/26/29/904912629.db2.gz NXARWGYHFZHTRB-QGZVFWFLSA-N 0 0 412.364 4.173 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1cc(F)c(F)cc1N1CCOCC1 ZINC000506235828 914856662 /nfs/dbraw/zinc/85/66/62/914856662.db2.gz WPUHPQNANSJYLL-UHFFFAOYSA-N 0 0 407.417 4.109 20 5 HIBDRN O=C(c1ccnc(SCC(F)(F)F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492876926 904934539 /nfs/dbraw/zinc/93/45/39/904934539.db2.gz YPXTVVVHKLOOLR-UHFFFAOYSA-N 0 0 411.405 4.449 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000492937163 904956132 /nfs/dbraw/zinc/95/61/32/904956132.db2.gz NVEVDJLJUITJLV-IFXJQAMLSA-N 0 0 403.866 4.401 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000492939349 904959353 /nfs/dbraw/zinc/95/93/53/904959353.db2.gz YYVWJGZKYFVJGY-MRXNPFEDSA-N 0 0 410.474 4.330 20 5 HIBDRN COc1cc(CCNC(=O)C/C=C\c2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000492945782 904959374 /nfs/dbraw/zinc/95/93/74/904959374.db2.gz PXKDRUHQQZGJFC-WAYWQWQTSA-N 0 0 412.486 4.498 20 5 HIBDRN CCOc1c(Cl)cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000492965359 904967725 /nfs/dbraw/zinc/96/77/25/904967725.db2.gz ZKNNGHODYYFASG-UHFFFAOYSA-N 0 0 404.850 4.460 20 5 HIBDRN COc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000493005808 904982125 /nfs/dbraw/zinc/98/21/25/904982125.db2.gz UAUCQCHXKUJEGB-ZDUSSCGKSA-N 0 0 423.416 4.416 20 5 HIBDRN CC[C@H](NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493032509 904995173 /nfs/dbraw/zinc/99/51/73/904995173.db2.gz KRSOTSNUVLNHJV-KRWDZBQOSA-N 0 0 422.938 4.288 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000493073530 905009745 /nfs/dbraw/zinc/00/97/45/905009745.db2.gz AEGHZENVTUUTGI-ZACQAIPSSA-N 0 0 412.490 4.400 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000493073527 905010099 /nfs/dbraw/zinc/01/00/99/905010099.db2.gz AEGHZENVTUUTGI-IXDOHACOSA-N 0 0 412.490 4.400 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493153173 905036365 /nfs/dbraw/zinc/03/63/65/905036365.db2.gz LUPBISYRPMYTCL-QZTJIDSGSA-N 0 0 402.397 4.491 20 5 HIBDRN CS(=O)(=O)c1cccc([C@H](NCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)c1 ZINC000493226067 905057219 /nfs/dbraw/zinc/05/72/19/905057219.db2.gz HIILALPWXOWUED-OAQYLSRUSA-N 0 0 414.458 4.017 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000493277772 905076681 /nfs/dbraw/zinc/07/66/81/905076681.db2.gz BETGMQHEJCRWBR-GFCCVEGCSA-N 0 0 424.379 4.078 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000493279844 905077258 /nfs/dbraw/zinc/07/72/58/905077258.db2.gz JVGPWOOJVJRXQW-MRXNPFEDSA-N 0 0 410.474 4.412 20 5 HIBDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000506272097 914875493 /nfs/dbraw/zinc/87/54/93/914875493.db2.gz KMCPGKRYHNLYQR-UHFFFAOYSA-N 0 0 403.307 4.086 20 5 HIBDRN COc1ccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cn1 ZINC000493436423 905117417 /nfs/dbraw/zinc/11/74/17/905117417.db2.gz CDIZTRJGGQVTQP-LJQANCHMSA-N 0 0 412.833 4.444 20 5 HIBDRN C[C@H](CCCC(F)(F)F)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000493446415 905126143 /nfs/dbraw/zinc/12/61/43/905126143.db2.gz YJAKHNUPRQCFAT-SNVBAGLBSA-N 0 0 404.776 4.327 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)CCCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000493653240 905182474 /nfs/dbraw/zinc/18/24/74/905182474.db2.gz HALVJDBTOIUYKD-LBPRGKRZSA-N 0 0 411.446 4.158 20 5 HIBDRN COCc1nc2cc(NCc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])ccc2o1 ZINC000493668900 905187423 /nfs/dbraw/zinc/18/74/23/905187423.db2.gz IKIFCXZOHAGYKN-UHFFFAOYSA-N 0 0 423.372 4.147 20 5 HIBDRN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000493879346 905241629 /nfs/dbraw/zinc/24/16/29/905241629.db2.gz WBMWUWLQKUCTBY-KRWDZBQOSA-N 0 0 403.526 4.403 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000493952533 905301766 /nfs/dbraw/zinc/30/17/66/905301766.db2.gz LOYDQODTUWVETK-ZDUSSCGKSA-N 0 0 424.457 4.158 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493959505 905308917 /nfs/dbraw/zinc/30/89/17/905308917.db2.gz DGOSVLCUCHDYKV-CQSZACIVSA-N 0 0 411.549 4.482 20 5 HIBDRN O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000493977741 905323747 /nfs/dbraw/zinc/32/37/47/905323747.db2.gz PIQOUNROJMVHCQ-UHFFFAOYSA-N 0 0 405.336 4.176 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCn4c(cc5cc(Cl)ccc54)C3)o2)cc1 ZINC000494049372 905389110 /nfs/dbraw/zinc/38/91/10/905389110.db2.gz NQCJDAXYNPVIRS-UHFFFAOYSA-N 0 0 409.833 4.269 20 5 HIBDRN CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000494059158 905398058 /nfs/dbraw/zinc/39/80/58/905398058.db2.gz HYGZCSQLOYQZHU-INIZCTEOSA-N 0 0 407.829 4.229 20 5 HIBDRN COc1ccc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000512412443 921144201 /nfs/dbraw/zinc/14/42/01/921144201.db2.gz PLRXCLJSTQQROD-GOSISDBHSA-N 0 0 412.339 4.333 20 5 HIBDRN COCCN(Cc1cc(Br)cs1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000494116161 905462320 /nfs/dbraw/zinc/46/23/20/905462320.db2.gz KKZYOTAYHDZZKT-UHFFFAOYSA-N 0 0 415.309 4.076 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1Cl ZINC000512421931 921149342 /nfs/dbraw/zinc/14/93/42/921149342.db2.gz NKYOWRDXDKMOCJ-UHFFFAOYSA-N 0 0 418.881 4.171 20 5 HIBDRN Cc1cc(C(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000494127686 905471511 /nfs/dbraw/zinc/47/15/11/905471511.db2.gz NSTPTLIJDANTFJ-QUCCMNQESA-N 0 0 403.429 4.135 20 5 HIBDRN CC(C)N1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494128888 905472922 /nfs/dbraw/zinc/47/29/22/905472922.db2.gz ULTNCKUPJDJTIV-LPHOPBHVSA-N 0 0 423.847 4.480 20 5 HIBDRN O=C(c1ccc(Cl)cc1)N1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494198016 905530896 /nfs/dbraw/zinc/53/08/96/905530896.db2.gz KATJHTFLDCUDBV-UHFFFAOYSA-N 0 0 408.285 4.250 20 5 HIBDRN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494222249 905551963 /nfs/dbraw/zinc/55/19/63/905551963.db2.gz DSAPSJVAIGPLBI-UHFFFAOYSA-N 0 0 422.485 4.336 20 5 HIBDRN Cc1nc(C(F)(F)F)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000512430445 921156861 /nfs/dbraw/zinc/15/68/61/921156861.db2.gz QBPOCMCZVNOZGM-UHFFFAOYSA-N 0 0 418.169 4.261 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000494252903 905578073 /nfs/dbraw/zinc/57/80/73/905578073.db2.gz CFCZGAHGRVTDLT-OAHLLOKOSA-N 0 0 405.838 4.152 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)cc1F)c1sc(Br)cc1[N+](=O)[O-] ZINC000512448162 921168824 /nfs/dbraw/zinc/16/88/24/921168824.db2.gz YLNZNTGXRFVWKV-UHFFFAOYSA-N 0 0 411.155 4.412 20 5 HIBDRN Cc1ccc(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C(=O)N(C)C(C)C ZINC000494448338 905733070 /nfs/dbraw/zinc/73/30/70/905733070.db2.gz AKBLBGJFWJYXNL-MRXNPFEDSA-N 0 0 412.490 4.213 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1[N+](=O)[O-] ZINC000494457228 905739860 /nfs/dbraw/zinc/73/98/60/905739860.db2.gz ZAVOCSJIGGDJJA-AQKFKSFVSA-N 0 0 419.485 4.389 20 5 HIBDRN O=[N+]([O-])c1cccc(N(C2CCCC2)S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000494488722 905773389 /nfs/dbraw/zinc/77/33/89/905773389.db2.gz ZRIAOFRRPQLPNU-UHFFFAOYSA-N 0 0 424.482 4.190 20 5 HIBDRN O=[N+]([O-])c1cccc(N(C2CCCC2)S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000494499207 905788312 /nfs/dbraw/zinc/78/83/12/905788312.db2.gz YDKXLEWCATUXID-UHFFFAOYSA-N 0 0 415.393 4.147 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1c(Br)cccc1Br ZINC000494697888 905907232 /nfs/dbraw/zinc/90/72/32/905907232.db2.gz SBADZZOYJRUSIA-UHFFFAOYSA-N 0 0 414.053 4.050 20 5 HIBDRN COC(=O)c1ccc([C@H](NCc2c(Cl)cccc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000494702856 905909902 /nfs/dbraw/zinc/90/99/02/905909902.db2.gz KYSQPVFYOCKYQQ-HNNXBMFYSA-N 0 0 402.756 4.428 20 5 HIBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cc(Cl)c(F)c(Cl)c1 ZINC000494880874 906058145 /nfs/dbraw/zinc/05/81/45/906058145.db2.gz UJRWUWBTTISWRU-UHFFFAOYSA-N 0 0 420.611 4.063 20 5 HIBDRN CCCC[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(OC)cc1 ZINC000494897587 906072396 /nfs/dbraw/zinc/07/23/96/906072396.db2.gz ZRFRDNPNRHPCRX-IBGZPJMESA-N 0 0 415.494 4.078 20 5 HIBDRN COc1ccccc1C1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000494897145 906072676 /nfs/dbraw/zinc/07/26/76/906072676.db2.gz IIIXSXXAUKLDTM-UHFFFAOYSA-N 0 0 423.391 4.153 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1OCCc2sccc21 ZINC000494936349 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CC(C)c1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c2cnn(C(C)C)c2n1 ZINC000513039280 921498076 /nfs/dbraw/zinc/49/80/76/921498076.db2.gz ZFEMGDFLKISFEG-UHFFFAOYSA-N 0 0 409.490 4.359 20 5 HIBDRN Cc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])nn1-c1ccc(Cl)cc1Cl ZINC000500022432 909481009 /nfs/dbraw/zinc/48/10/09/909481009.db2.gz MRCRWOPIHOUTEQ-UHFFFAOYSA-N 0 0 406.229 4.230 20 5 HIBDRN COc1cccc(Oc2ccc(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cn2)c1 ZINC000500119734 909597347 /nfs/dbraw/zinc/59/73/47/909597347.db2.gz AMEGNYIOIADXSD-UHFFFAOYSA-N 0 0 422.441 4.132 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H](C)c3cccc(F)c3F)cc2)c(C)c1[N+](=O)[O-] ZINC000500122446 909604663 /nfs/dbraw/zinc/60/46/63/909604663.db2.gz NSDAUIUKKNGOAD-GFCCVEGCSA-N 0 0 414.412 4.226 20 5 HIBDRN C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000500203827 909694577 /nfs/dbraw/zinc/69/45/77/909694577.db2.gz YTMJEBRBUQQKTI-LBPRGKRZSA-N 0 0 413.421 4.194 20 5 HIBDRN O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1cc2c(c([N+](=O)[O-])c1)OCO2 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917496506 /nfs/dbraw/zinc/49/65/06/917496506.db2.gz NTVXVDAHBWWFED-LJQANCHMSA-N 0 0 414.477 4.211 20 5 HIBDRN Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000508742285 917500539 /nfs/dbraw/zinc/50/05/39/917500539.db2.gz RQHLXXZDXNCQJT-UHFFFAOYSA-N 0 0 410.430 4.484 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(-n2cccn2)c(F)c1 ZINC000508754492 917511896 /nfs/dbraw/zinc/51/18/96/917511896.db2.gz MKEVAPNDSVGBRS-NSHDSACASA-N 0 0 422.338 4.429 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000508766441 917520969 /nfs/dbraw/zinc/52/09/69/917520969.db2.gz XGTPHPFRQHKNDA-UHFFFAOYSA-N 0 0 401.507 4.487 20 5 HIBDRN CC[C@H](c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C)c1ccccc1 ZINC000508767379 917522675 /nfs/dbraw/zinc/52/26/75/917522675.db2.gz XLMQLTKFMQAUQT-NRFANRHFSA-N 0 0 421.501 4.313 20 5 HIBDRN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1 ZINC000508784614 917539154 /nfs/dbraw/zinc/53/91/54/917539154.db2.gz NKGZIZBXFZDYHZ-INIZCTEOSA-N 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Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000509060023 917807654 /nfs/dbraw/zinc/80/76/54/917807654.db2.gz ICQBRDATICUTPN-LBPRGKRZSA-N 0 0 424.238 4.341 20 5 HIBDRN COCCSc1ccc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000509067169 917812980 /nfs/dbraw/zinc/81/29/80/917812980.db2.gz FRLMPSTXUOZSEP-ZDUSSCGKSA-N 0 0 405.476 4.225 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000509141759 917866730 /nfs/dbraw/zinc/86/67/30/917866730.db2.gz UCAMCHWMPYWJQS-UHFFFAOYSA-N 0 0 422.812 4.130 20 5 HIBDRN C[C@H]1CCCN(Cc2csc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000509214357 917915651 /nfs/dbraw/zinc/91/56/51/917915651.db2.gz ZJBGWCYZRCHCHE-HNNXBMFYSA-N 0 0 417.535 4.114 20 5 HIBDRN COCCOc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1F ZINC000509245670 917940763 /nfs/dbraw/zinc/94/07/63/917940763.db2.gz JAVOQTXHWMYDND-UHFFFAOYSA-N 0 0 405.426 4.202 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CN2CCO[C@@H](c3cccc(Br)c3)C2)c(F)c1 ZINC000509259591 917948799 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ZINC000509811345 918415319 /nfs/dbraw/zinc/41/53/19/918415319.db2.gz QTEJQNHMJKQJDM-UHFFFAOYSA-N 0 0 406.410 4.205 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2nccn2-c2ccccc2)nc1OCc1ccccc1 ZINC000509830403 918431196 /nfs/dbraw/zinc/43/11/96/918431196.db2.gz IJLDJSKQNPYTOC-UHFFFAOYSA-N 0 0 401.426 4.367 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccnc(Oc3ccccc3)c2)cc1OC ZINC000509867812 918468962 /nfs/dbraw/zinc/46/89/62/918468962.db2.gz YSAJQBVQXCGMQE-UHFFFAOYSA-N 0 0 409.398 4.442 20 5 HIBDRN COc1cc(C(=O)N2CCc3c(Br)cccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000509927753 918527076 /nfs/dbraw/zinc/52/70/76/918527076.db2.gz JKCXNVQCWPHRRL-LLVKDONJSA-N 0 0 405.248 4.125 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc2[nH]ccc21 ZINC000509928574 918527370 /nfs/dbraw/zinc/52/73/70/918527370.db2.gz LEOIOJXCAMKEIE-UHFFFAOYSA-N 0 0 407.352 4.329 20 5 HIBDRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000509952299 918545456 /nfs/dbraw/zinc/54/54/56/918545456.db2.gz MDSGIXIWFHADEE-UHFFFAOYSA-N 0 0 410.405 4.086 20 5 HIBDRN CC[C@@H](C(=O)OC)N(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000509982766 918570125 /nfs/dbraw/zinc/57/01/25/918570125.db2.gz MUSRHDWWFDLXNN-KDOFPFPSSA-N 0 0 402.472 4.060 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000510022639 918598602 /nfs/dbraw/zinc/59/86/02/918598602.db2.gz FTNRRYLODFSDDR-UHFFFAOYSA-N 0 0 401.220 4.308 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000510042105 918613639 /nfs/dbraw/zinc/61/36/39/918613639.db2.gz PWPQWYOXEGSCGR-ZDUSSCGKSA-N 0 0 407.239 4.435 20 5 HIBDRN COc1ccccc1[C@@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000510045692 918616232 /nfs/dbraw/zinc/61/62/32/918616232.db2.gz PZNMTPHQSDQBKX-CYBMUJFWSA-N 0 0 419.275 4.304 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000510044847 918616707 /nfs/dbraw/zinc/61/67/07/918616707.db2.gz RSELMBGAUZOMIZ-UHFFFAOYSA-N 0 0 411.502 4.474 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)c(O)c3)c([N+](=O)[O-])c2)cc1O ZINC000510071596 918640387 /nfs/dbraw/zinc/64/03/87/918640387.db2.gz SBOKWEBWEJJGKX-UHFFFAOYSA-N 0 0 421.409 4.127 20 5 HIBDRN O=C(c1coc(C2CCOCC2)n1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000510132304 918690764 /nfs/dbraw/zinc/69/07/64/918690764.db2.gz QMYNJRHWNAJXMY-UHFFFAOYSA-N 0 0 407.426 4.324 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(F)c(Br)cc1F ZINC000510151536 918704974 /nfs/dbraw/zinc/70/49/74/918704974.db2.gz XQWXRBIYHSBWAK-UHFFFAOYSA-N 0 0 410.174 4.229 20 5 HIBDRN CCC1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCN(C(=O)c2ccccc2)CC1 ZINC000510191040 918740200 /nfs/dbraw/zinc/74/02/00/918740200.db2.gz PBXYFRCMVJHEFM-KRWDZBQOSA-N 0 0 409.486 4.105 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000510199872 918748903 /nfs/dbraw/zinc/74/89/03/918748903.db2.gz ODSWXNYJYHMRHM-CQSZACIVSA-N 0 0 401.488 4.220 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCCN(C)c3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000510212518 918759698 /nfs/dbraw/zinc/75/96/98/918759698.db2.gz OKRIYTRIKKRPSK-UHFFFAOYSA-N 0 0 422.254 4.292 20 5 HIBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000510357011 918850916 /nfs/dbraw/zinc/85/09/16/918850916.db2.gz GFWPBLGJGAQLKK-QWHCGFSZSA-N 0 0 401.326 4.412 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](c1cccc(C)c1)C(F)(F)F ZINC000510474585 918928712 /nfs/dbraw/zinc/92/87/12/918928712.db2.gz CHJLZGIGGDIOKD-SFHVURJKSA-N 0 0 411.380 4.134 20 5 HIBDRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510528811 918973989 /nfs/dbraw/zinc/97/39/89/918973989.db2.gz FRLKPZDPTFNFMA-UHFFFAOYSA-N 0 0 406.320 4.082 20 5 HIBDRN Cn1c(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)ccc1[N+](=O)[O-] ZINC000510591041 919033243 /nfs/dbraw/zinc/03/32/43/919033243.db2.gz JLFGGYQPJDSOSZ-UHFFFAOYSA-N 0 0 406.320 4.392 20 5 HIBDRN C/C=C\c1ccc(NC(=O)C(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])cc1 ZINC000510601340 919042235 /nfs/dbraw/zinc/04/22/35/919042235.db2.gz UHXLDFXDUDPJBR-DAXSKMNVSA-N 0 0 413.430 4.003 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000510618108 919060875 /nfs/dbraw/zinc/06/08/75/919060875.db2.gz XIATYFNXCXVPPQ-UHFFFAOYSA-N 0 0 410.171 4.393 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)[C@H]3CCc4ccccc4C3)cc2)c(C)c1[N+](=O)[O-] ZINC000510718532 919160321 /nfs/dbraw/zinc/16/03/21/919160321.db2.gz SQGKEOABCYJHPY-QFIPXVFZSA-N 0 0 418.497 4.086 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c(F)c1 ZINC000510744649 919192651 /nfs/dbraw/zinc/19/26/51/919192651.db2.gz HWZPQAZBNXTFQV-OAHLLOKOSA-N 0 0 410.726 4.368 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCCC3CCOCC3)cc2[N+](=O)[O-])n1 ZINC000510751448 919202355 /nfs/dbraw/zinc/20/23/55/919202355.db2.gz SVHRZMQGPRSSLF-UHFFFAOYSA-N 0 0 407.517 4.057 20 5 HIBDRN COc1ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OCC(F)(F)F ZINC000510753263 919203832 /nfs/dbraw/zinc/20/38/32/919203832.db2.gz QLMSZRWXZSEUHB-LLVKDONJSA-N 0 0 413.352 4.427 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000510832385 919313084 /nfs/dbraw/zinc/31/30/84/919313084.db2.gz IDPXWFAZTKKTIN-UHFFFAOYSA-N 0 0 420.347 4.407 20 5 HIBDRN O=C(NCc1cc(Br)cs1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510837389 919319196 /nfs/dbraw/zinc/31/91/96/919319196.db2.gz KVNAZLOFHHGTLP-UHFFFAOYSA-N 0 0 422.207 4.342 20 5 HIBDRN COc1ccc(CNC(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000510844275 919328252 /nfs/dbraw/zinc/32/82/52/919328252.db2.gz PVKKXDJGNTXRJY-IBGZPJMESA-N 0 0 407.829 4.037 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000510875104 919368945 /nfs/dbraw/zinc/36/89/45/919368945.db2.gz UWIHVZOTBYYWCM-MRXNPFEDSA-N 0 0 406.870 4.252 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000510883244 919379636 /nfs/dbraw/zinc/37/96/36/919379636.db2.gz WAAREEWOIJDINF-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000510912280 919419418 /nfs/dbraw/zinc/41/94/18/919419418.db2.gz KAPLUNSRHYWDEJ-SFHVURJKSA-N 0 0 411.355 4.394 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000510912279 919419615 /nfs/dbraw/zinc/41/96/15/919419615.db2.gz KAPLUNSRHYWDEJ-GOSISDBHSA-N 0 0 411.355 4.394 20 5 HIBDRN CCOc1c(Cl)cc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000510913796 919425929 /nfs/dbraw/zinc/42/59/29/919425929.db2.gz NLLBOTKBLBHEDJ-UHFFFAOYSA-N 0 0 421.881 4.040 20 5 HIBDRN O=C(NCc1c(F)cc(F)cc1F)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000511023319 919592523 /nfs/dbraw/zinc/59/25/23/919592523.db2.gz BFSVLJBTTUPQPP-UHFFFAOYSA-N 0 0 400.331 4.168 20 5 HIBDRN O=C(CN1CCC([C@H](F)c2ccccc2F)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000511071575 919671522 /nfs/dbraw/zinc/67/15/22/919671522.db2.gz GMPNDDLEZFYPRJ-QFIPXVFZSA-N 0 0 415.440 4.046 20 5 HIBDRN COc1ccc(NC(=O)CN2CCC([C@H](F)c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000511081690 919684761 /nfs/dbraw/zinc/68/47/61/919684761.db2.gz OCFIXLQZFBHEOW-NRFANRHFSA-N 0 0 419.428 4.104 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccc(Br)s2)no1 ZINC000511090234 919693242 /nfs/dbraw/zinc/69/32/42/919693242.db2.gz IGSHTRRIPZJGMP-UHFFFAOYSA-N 0 0 423.292 4.143 20 5 HIBDRN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1Br)OCCO2 ZINC000511258906 919858720 /nfs/dbraw/zinc/85/87/20/919858720.db2.gz ICVOLCQSNXWVHS-JTQLQIEISA-N 0 0 422.235 4.011 20 5 HIBDRN Cc1cc(NC(=O)c2cscc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511463842 920074096 /nfs/dbraw/zinc/07/40/96/920074096.db2.gz XFBQQJWXRVJCDN-UHFFFAOYSA-N 0 0 407.249 4.165 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000511468808 920078519 /nfs/dbraw/zinc/07/85/19/920078519.db2.gz JYXIZGBLTMIQTE-UHFFFAOYSA-N 0 0 400.822 4.150 20 5 HIBDRN CCN(Cc1ccc2ccccc2c1)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000511479067 920088279 /nfs/dbraw/zinc/08/82/79/920088279.db2.gz HKWOOHOUWXTCSY-UHFFFAOYSA-N 0 0 415.453 4.299 20 5 HIBDRN O=C(Cc1cc2c(ccc3ccccc23)o1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000511537029 920160386 /nfs/dbraw/zinc/16/03/86/920160386.db2.gz GGZCBCGGTOMVOD-INIZCTEOSA-N 0 0 416.437 4.145 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000511569463 920212925 /nfs/dbraw/zinc/21/29/25/920212925.db2.gz AWPMHZBZXMXISF-UHFFFAOYSA-N 0 0 420.307 4.477 20 5 HIBDRN CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000511697955 920363434 /nfs/dbraw/zinc/36/34/34/920363434.db2.gz NBWUGDFQXQCBHP-UHFFFAOYSA-N 0 0 416.411 4.354 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000511705769 920369755 /nfs/dbraw/zinc/36/97/55/920369755.db2.gz GDFAAXWYBZGTJW-HNNXBMFYSA-N 0 0 404.291 4.159 20 5 HIBDRN CC(C)c1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000511764126 920446280 /nfs/dbraw/zinc/44/62/80/920446280.db2.gz CIWNYYWEDWCZAH-UHFFFAOYSA-N 0 0 402.539 4.315 20 5 HIBDRN COc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000511894778 920632339 /nfs/dbraw/zinc/63/23/39/920632339.db2.gz DPPXMSRCCZFOJZ-HNNXBMFYSA-N 0 0 404.422 4.325 20 5 HIBDRN Cc1sc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1 ZINC000511939224 920692143 /nfs/dbraw/zinc/69/21/43/920692143.db2.gz FGDCEEMEDMKPKU-UHFFFAOYSA-N 0 0 423.903 4.159 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc([C@H](F)c2ccc(Cl)cc2)no1 ZINC000512001297 920771450 /nfs/dbraw/zinc/77/14/50/920771450.db2.gz WXIBWKXWDWOWOT-ZUZCIYMTSA-N 0 0 404.785 4.181 20 5 HIBDRN O=C(NCc1ccsc1Br)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000512004551 920773368 /nfs/dbraw/zinc/77/33/68/920773368.db2.gz AFJNTGWEVQBGCG-UHFFFAOYSA-N 0 0 409.183 4.368 20 5 HIBDRN Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000512070228 920836552 /nfs/dbraw/zinc/83/65/52/920836552.db2.gz BZDJWLWLOKJIGG-KRWDZBQOSA-N 0 0 409.442 4.197 20 5 HIBDRN O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Br ZINC000512204343 920950381 /nfs/dbraw/zinc/95/03/81/920950381.db2.gz OQVQNHZHPRKFSM-FZKQIMNGSA-N 0 0 419.275 4.255 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000512248001 921006375 /nfs/dbraw/zinc/00/63/75/921006375.db2.gz CPWQIEGNOUZUBI-QGZVFWFLSA-N 0 0 415.515 4.080 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000512254140 921012011 /nfs/dbraw/zinc/01/20/11/921012011.db2.gz TVQWCVBBSZOUCI-OFIKQIQMSA-N 0 0 400.397 4.015 20 5 HIBDRN O=C(NCCCOC(F)F)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000512287073 921042637 /nfs/dbraw/zinc/04/26/37/921042637.db2.gz XVNXXCMEVCAPKB-UHFFFAOYSA-N 0 0 400.765 4.400 20 5 HIBDRN CC(=O)N1CCC[C@@H](C(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)C1 ZINC000512291776 921046422 /nfs/dbraw/zinc/04/64/22/921046422.db2.gz CJJQAGLEKUGNBP-QGZVFWFLSA-N 0 0 400.482 4.146 20 5 HIBDRN COc1cc(C(=O)N([C@@H](C)C2CC2)C2CC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000512344725 921090288 /nfs/dbraw/zinc/09/02/88/921090288.db2.gz ZKVHNVXUMRCDDZ-LBPRGKRZSA-N 0 0 417.487 4.042 20 5 HIBDRN CCCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H](CC)c1ccccc1 ZINC000513561812 921895876 /nfs/dbraw/zinc/89/58/76/921895876.db2.gz AELQOXCGQCBTQT-QGZVFWFLSA-N 0 0 404.488 4.002 20 5 HIBDRN CCCCN(Cc1ccccc1Cl)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513575946 921908077 /nfs/dbraw/zinc/90/80/77/921908077.db2.gz DQGKJIBHZKGARY-UHFFFAOYSA-N 0 0 424.906 4.094 20 5 HIBDRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000513578886 921912032 /nfs/dbraw/zinc/91/20/32/921912032.db2.gz RPCOFLDMEOXIHA-UHFFFAOYSA-N 0 0 401.316 4.339 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(COc2ccc3c(c2)CN(C)C3=O)cc1OC ZINC000513581532 921913431 /nfs/dbraw/zinc/91/34/31/921913431.db2.gz YKIHQJGNNNUDDN-CQSZACIVSA-N 0 0 414.458 4.193 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(COc2ccc(N(C)C(N)=O)cc2)cc1OC ZINC000513586243 921918529 /nfs/dbraw/zinc/91/85/29/921918529.db2.gz MNYUVLZPDIWHIS-AWEZNQCLSA-N 0 0 417.462 4.122 20 5 HIBDRN CC(C)S(=O)(=O)c1ccc(COc2c(Br)cccc2[N+](=O)[O-])cc1 ZINC000513603772 921935660 /nfs/dbraw/zinc/93/56/60/921935660.db2.gz RKSOMNCLLUUCSZ-UHFFFAOYSA-N 0 0 414.277 4.118 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CNc2cccc(C)c2C(N)=O)cc1OC ZINC000513603174 921935706 /nfs/dbraw/zinc/93/57/06/921935706.db2.gz NAKIJBIWUGCTGN-CYBMUJFWSA-N 0 0 401.463 4.048 20 5 HIBDRN Cc1nn(C)c(N(C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)c1[N+](=O)[O-] ZINC000513619454 921947699 /nfs/dbraw/zinc/94/76/99/921947699.db2.gz MSYUHNFPTOPQTQ-UHFFFAOYSA-N 0 0 400.458 4.015 20 5 HIBDRN CC(C)S(=O)(=O)c1ccc(COc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000513639424 921963540 /nfs/dbraw/zinc/96/35/40/921963540.db2.gz BQVUSFCOCSBTSF-UHFFFAOYSA-N 0 0 414.277 4.118 20 5 HIBDRN C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000513654069 921976204 /nfs/dbraw/zinc/97/62/04/921976204.db2.gz UVULGLRWWRNXQW-VIFPVBQESA-N 0 0 402.300 4.289 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000513661783 921984343 /nfs/dbraw/zinc/98/43/43/921984343.db2.gz 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922141956 /nfs/dbraw/zinc/14/19/56/922141956.db2.gz INKPIFNJOAVOHO-UHFFFAOYSA-N 0 0 417.443 4.104 20 5 HIBDRN O=C(c1nc(-c2ccccc2)cs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000513833931 922161580 /nfs/dbraw/zinc/16/15/80/922161580.db2.gz LMSQSAMEONJGNM-UHFFFAOYSA-N 0 0 409.467 4.402 20 5 HIBDRN Cc1nn(-c2ccccc2)c2nc(C(=O)N3CCCc4c([N+](=O)[O-])cccc43)ccc12 ZINC000513835406 922163263 /nfs/dbraw/zinc/16/32/63/922163263.db2.gz MQKAFAOTRKLAIQ-UHFFFAOYSA-N 0 0 413.437 4.230 20 5 HIBDRN Cc1noc(CSc2ccccc2C(=O)N2CCCc3c([N+](=O)[O-])cccc32)n1 ZINC000513836544 922163427 /nfs/dbraw/zinc/16/34/27/922163427.db2.gz JPXVSQFSYSXREQ-UHFFFAOYSA-N 0 0 410.455 4.172 20 5 HIBDRN CCCc1c(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)cnn1Cc1ccccc1 ZINC000513841458 922166680 /nfs/dbraw/zinc/16/66/80/922166680.db2.gz RFRPIQJMPVMEBX-UHFFFAOYSA-N 0 0 404.470 4.385 20 5 HIBDRN NC(=O)c1ccc(Oc2ccc(C(=O)N3CCCc4c([N+](=O)[O-])cccc43)cc2)cc1 ZINC000513839916 922167074 /nfs/dbraw/zinc/16/70/74/922167074.db2.gz 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C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000516362872 923690803 /nfs/dbraw/zinc/69/08/03/923690803.db2.gz UTDYYLRKGLLVSO-NSHDSACASA-N 0 0 418.393 4.113 20 5 HIBDRN COc1cccc(CNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000516376061 923700743 /nfs/dbraw/zinc/70/07/43/923700743.db2.gz TYTAQOBRUKCJJL-INIZCTEOSA-N 0 0 406.438 4.354 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000516439902 923734928 /nfs/dbraw/zinc/73/49/28/923734928.db2.gz BPTPVYMOAJJNCE-NRFANRHFSA-N 0 0 403.438 4.024 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000516482340 923753411 /nfs/dbraw/zinc/75/34/11/923753411.db2.gz OGQBZKJVFXHXHK-QFIPXVFZSA-N 0 0 408.479 4.072 20 5 HIBDRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000516526877 923780047 /nfs/dbraw/zinc/78/00/47/923780047.db2.gz KDMIEDRKCKGEAR-CQSZACIVSA-N 0 0 422.403 4.442 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000516579958 923802187 /nfs/dbraw/zinc/80/21/87/923802187.db2.gz HPXXJTOKBMXGBJ-OAQYLSRUSA-N 0 0 423.444 4.396 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N(C)Cc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000516588411 923803368 /nfs/dbraw/zinc/80/33/68/923803368.db2.gz GVHYRWWYSIDNEA-CYBMUJFWSA-N 0 0 406.280 4.125 20 5 HIBDRN C[C@@H](C(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000516594647 923806199 /nfs/dbraw/zinc/80/61/99/923806199.db2.gz FWTJMNHQBQBYSH-CQSZACIVSA-N 0 0 420.868 4.399 20 5 HIBDRN C[C@H](Cc1cccc(Br)c1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000516672422 923837836 /nfs/dbraw/zinc/83/78/36/923837836.db2.gz QDTMNIZSWYVBCD-CQSZACIVSA-N 0 0 420.307 4.172 20 5 HIBDRN C[C@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(N2CCCC2)c1 ZINC000516678541 923840314 /nfs/dbraw/zinc/84/03/14/923840314.db2.gz VMBGKAHSXFVLLW-INIZCTEOSA-N 0 0 421.501 4.279 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000516752352 923875526 /nfs/dbraw/zinc/87/55/26/923875526.db2.gz NHUMOPDQMMQAPZ-UHFFFAOYSA-N 0 0 422.485 4.479 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3C[C@@H](C)O[C@H](c4ccccc4)C3)cc2[N+](=O)[O-])CC1 ZINC000516756178 923876563 /nfs/dbraw/zinc/87/65/63/923876563.db2.gz DKXCSAWBEYTNFZ-JPYJTQIMSA-N 0 0 423.513 4.433 20 5 HIBDRN COc1cc(NC(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc(OC)c1 ZINC000516786397 923886133 /nfs/dbraw/zinc/88/61/33/923886133.db2.gz YSYZNQDQAZMIPH-UHFFFAOYSA-N 0 0 408.410 4.297 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](O)COc2cccc(C(F)(F)F)c2)c2ncccc12 ZINC000516807747 923895386 /nfs/dbraw/zinc/89/53/86/923895386.db2.gz CYDKYPNDHSXJLB-ZDUSSCGKSA-N 0 0 407.348 4.014 20 5 HIBDRN O=[N+]([O-])c1ccc(/C=C\c2nc(-c3cn4ccc(Br)cc4n3)no2)cc1 ZINC000516897465 923933527 /nfs/dbraw/zinc/93/35/27/923933527.db2.gz SQBNUBIQEKTNPG-UTCJRWHESA-N 0 0 412.203 4.225 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000517021152 923966828 /nfs/dbraw/zinc/96/68/28/923966828.db2.gz LPRANRHMXUWSED-UHFFFAOYSA-N 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CC(C)Sc1ccc([C@H](C)NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 ZINC000517556555 924263868 /nfs/dbraw/zinc/26/38/68/924263868.db2.gz RXNMIZRCGCMNTH-AWEZNQCLSA-N 0 0 411.487 4.167 20 5 HIBDRN Cc1c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cccc1-c1nnc2n1CCCCC2 ZINC000517558025 926680551 /nfs/dbraw/zinc/68/05/51/926680551.db2.gz YASRWEFCHFFRFY-UHFFFAOYSA-N 0 0 409.421 4.280 20 5 HIBDRN CC(=O)N(c1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1)C1CC1 ZINC000517613448 926721321 /nfs/dbraw/zinc/72/13/21/926721321.db2.gz YFBOJFCBRGQIAT-UHFFFAOYSA-N 0 0 422.466 4.486 20 5 HIBDRN Cc1ccc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc1[N+](=O)[O-] ZINC000517665147 926770931 /nfs/dbraw/zinc/77/09/31/926770931.db2.gz USDHRSKKABQVBE-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517693375 926797404 /nfs/dbraw/zinc/79/74/04/926797404.db2.gz QJSWVTVQOFMYMX-GFCCVEGCSA-N 0 0 424.682 4.019 20 5 HIBDRN CCC[C@@H]1CCc2nc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)sc2C1 ZINC000517716072 926810889 /nfs/dbraw/zinc/81/08/89/926810889.db2.gz GHLVISSTJAOPND-LLVKDONJSA-N 0 0 412.471 4.462 20 5 HIBDRN COc1cc(-c2nc(C3(c4ccccc4Br)CC3)no2)ccc1[N+](=O)[O-] ZINC000517782172 926833804 /nfs/dbraw/zinc/83/38/04/926833804.db2.gz XKXLMUPMFJULQX-UHFFFAOYSA-N 0 0 416.231 4.496 20 5 HIBDRN CCc1ccc(-c2csc(NC(=O)CSc3ncccc3[N+](=O)[O-])n2)cc1 ZINC000517805678 926844957 /nfs/dbraw/zinc/84/49/57/926844957.db2.gz APBWTPPURZAJQA-UHFFFAOYSA-N 0 0 400.485 4.407 20 5 HIBDRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000517808019 926845480 /nfs/dbraw/zinc/84/54/80/926845480.db2.gz FEQOWJCWCLQYMI-UHFFFAOYSA-N 0 0 407.213 4.105 20 5 HIBDRN COc1ccc(CN(Cc2ccccc2)C(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC000517871644 926870520 /nfs/dbraw/zinc/87/05/20/926870520.db2.gz QETVVIZIQBGIFE-UHFFFAOYSA-N 0 0 406.438 4.455 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000517883666 926874585 /nfs/dbraw/zinc/87/45/85/926874585.db2.gz RQTHEMAHSBZWSN-UHFFFAOYSA-N 0 0 410.442 4.397 20 5 HIBDRN Cn1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000517977473 926922734 /nfs/dbraw/zinc/92/27/34/926922734.db2.gz WCKXSXLHVWEWJB-UHFFFAOYSA-N 0 0 407.455 4.251 20 5 HIBDRN CC(=O)N(c1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1C[C@@H]1C ZINC000517995301 926937996 /nfs/dbraw/zinc/93/79/96/926937996.db2.gz YVLWXWVKPGAXOC-YCRPNKLZSA-N 0 0 410.474 4.187 20 5 HIBDRN CCC(CC)[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000518071112 927007196 /nfs/dbraw/zinc/00/71/96/927007196.db2.gz HSRWOKLTVGFDBZ-GOSISDBHSA-N 0 0 403.866 4.480 20 5 HIBDRN Cc1c(OCc2nc(Cc3cccc(Br)c3)no2)cccc1[N+](=O)[O-] ZINC000518281333 927139481 /nfs/dbraw/zinc/13/94/81/927139481.db2.gz FPOILHISFBTZOS-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2cccnc2)cc1 ZINC000518298070 927158960 /nfs/dbraw/zinc/15/89/60/927158960.db2.gz ADDUTIHUIFRIPV-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN CCCc1n[nH]c(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1[N+](=O)[O-] ZINC000518313400 927175258 /nfs/dbraw/zinc/17/52/58/927175258.db2.gz JOOZPUXFQGTUHL-QGZVFWFLSA-N 0 0 417.469 4.314 20 5 HIBDRN CCc1cccc2c(C3CCN(C(=O)c4cc(F)cc([N+](=O)[O-])c4N)CC3)c[nH]c21 ZINC000518318127 927182515 /nfs/dbraw/zinc/18/25/15/927182515.db2.gz HSQFZPVLGNKZDI-UHFFFAOYSA-N 0 0 410.449 4.380 20 5 HIBDRN Cc1cc(C)n(-c2ccc(-c3noc(/C=C\c4ccc(F)cc4[N+](=O)[O-])n3)cn2)n1 ZINC000518342518 927208664 /nfs/dbraw/zinc/20/86/64/927208664.db2.gz UHBLEHCUAKWJQM-YVMONPNESA-N 0 0 406.377 4.152 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000518349708 927212878 /nfs/dbraw/zinc/21/28/78/927212878.db2.gz FRMIUIBDSDWOMW-MRXNPFEDSA-N 0 0 415.490 4.211 20 5 HIBDRN CCNc1ccc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000518362080 927220645 /nfs/dbraw/zinc/22/06/45/927220645.db2.gz GQWWKWHKWKVTCX-DJJJIMSYSA-N 0 0 403.866 4.282 20 5 HIBDRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000518405259 927245777 /nfs/dbraw/zinc/24/57/77/927245777.db2.gz VTRQQHLWXWSVAZ-CYBMUJFWSA-N 0 0 418.375 4.160 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000518533841 927332939 /nfs/dbraw/zinc/33/29/39/927332939.db2.gz AXQLVXCREJVKLZ-FQEVSTJZSA-N 0 0 419.437 4.059 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000518554805 927343866 /nfs/dbraw/zinc/34/38/66/927343866.db2.gz ZCACQWKGSSVWEG-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1n[nH]c(C(=O)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)c1[N+](=O)[O-] ZINC000518572558 927353787 /nfs/dbraw/zinc/35/37/87/927353787.db2.gz XAQKHBJSNBOOLJ-SECBINFHSA-N 0 0 405.867 4.203 20 5 HIBDRN Cc1cccc(Oc2ccccc2CNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000518583396 927363166 /nfs/dbraw/zinc/36/31/66/927363166.db2.gz KHHHSABJRIKUQT-UHFFFAOYSA-N 0 0 419.437 4.259 20 5 HIBDRN CCC[C@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC000518588924 927366643 /nfs/dbraw/zinc/36/66/43/927366643.db2.gz GFPVUCFGPQGDDU-AWEZNQCLSA-N 0 0 410.396 4.121 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2c2nc(CCCc3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000518612689 927378496 /nfs/dbraw/zinc/37/84/96/927378496.db2.gz ILSOILGOWKPSRZ-FQEVSTJZSA-N 0 0 420.469 4.439 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000518673822 927422613 /nfs/dbraw/zinc/42/26/13/927422613.db2.gz ITDBNVRBAXFAQG-QFIPXVFZSA-N 0 0 420.469 4.104 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000518703525 927445466 /nfs/dbraw/zinc/44/54/66/927445466.db2.gz QKTMXAZSKLDUON-JOCHJYFZSA-N 0 0 420.469 4.104 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)cc([N+](=O)[O-])c1 ZINC000518706827 927447236 /nfs/dbraw/zinc/44/72/36/927447236.db2.gz DTEIFMOZMMXULD-UHFFFAOYSA-N 0 0 411.414 4.364 20 5 HIBDRN CCOc1c(Cl)cc(-c2noc(-c3cccc(OC)c3[N+](=O)[O-])n2)cc1OC ZINC000518831154 927527876 /nfs/dbraw/zinc/52/78/76/927527876.db2.gz GBAWATLVAFLVLT-UHFFFAOYSA-N 0 0 405.794 4.381 20 5 HIBDRN Cc1cc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)ccc1Oc1cccnc1 ZINC000518835874 927533343 /nfs/dbraw/zinc/53/33/43/927533343.db2.gz QHTZTNDYIUPEOR-UHFFFAOYSA-N 0 0 408.414 4.291 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000518878116 927589225 /nfs/dbraw/zinc/58/92/25/927589225.db2.gz XJSPGIRPWOKSFK-LLVKDONJSA-N 0 0 414.792 4.276 20 5 HIBDRN Cc1c(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)cccc1[N+](=O)[O-] ZINC000518924150 927631583 /nfs/dbraw/zinc/63/15/83/927631583.db2.gz QHKNEJKEBLOOTO-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN C[S@@](=O)c1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000518932386 927638518 /nfs/dbraw/zinc/63/85/18/927638518.db2.gz IPSHGYKAFOLNAB-GDLZYMKVSA-N 0 0 409.467 4.197 20 5 HIBDRN CNc1ccc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)cc1[N+](=O)[O-] ZINC000518932693 927638759 /nfs/dbraw/zinc/63/87/59/927638759.db2.gz VNZFBAPXTFWGIC-UHFFFAOYSA-N 0 0 404.854 4.023 20 5 HIBDRN C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000518956245 927656417 /nfs/dbraw/zinc/65/64/17/927656417.db2.gz ZAJAPPUWWOOZGA-MGPUTAFESA-N 0 0 417.893 4.429 20 5 HIBDRN CC[C@@H]1CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000518964248 927660781 /nfs/dbraw/zinc/66/07/81/927660781.db2.gz JEQBPZYZZYCDAJ-LJQANCHMSA-N 0 0 404.470 4.391 20 5 HIBDRN O=C(NCc1cccc(COC2CCOCC2)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000518976751 927671188 /nfs/dbraw/zinc/67/11/88/927671188.db2.gz MLQHHOHLWQCFPL-UHFFFAOYSA-N 0 0 419.865 4.266 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@@H]1CCCOC1 ZINC000518991251 927679041 /nfs/dbraw/zinc/67/90/41/927679041.db2.gz HEQJGIJDDSDJAK-MRXNPFEDSA-N 0 0 403.866 4.111 20 5 HIBDRN COc1ccccc1Oc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000519019874 927695777 /nfs/dbraw/zinc/69/57/77/927695777.db2.gz OLUHQJNLVULKJY-UHFFFAOYSA-N 0 0 424.409 4.422 20 5 HIBDRN COc1cc(OCC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000519039463 927715720 /nfs/dbraw/zinc/71/57/20/927715720.db2.gz LBRGZACBNKECRE-KRWDZBQOSA-N 0 0 404.438 4.415 20 5 HIBDRN COc1cc(Cl)ccc1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000519099005 927768626 /nfs/dbraw/zinc/76/86/26/927768626.db2.gz MKKWYAUAVGXWIE-UHFFFAOYSA-N 0 0 402.756 4.462 20 5 HIBDRN CC[C@H](C)[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)OC ZINC000519101706 927771332 /nfs/dbraw/zinc/77/13/32/927771332.db2.gz ZFOSURZVRZCHDR-SGTLLEGYSA-N 0 0 420.849 4.358 20 5 HIBDRN Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000519106992 927776558 /nfs/dbraw/zinc/77/65/58/927776558.db2.gz ZUNKVQOCSPUQCS-UHFFFAOYSA-N 0 0 413.455 4.034 20 5 HIBDRN O=C1C[C@H](Nc2cccc(COC3CCCCC3)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000519169568 927810135 /nfs/dbraw/zinc/81/01/35/927810135.db2.gz PCZAHHASJWOVBK-NRFANRHFSA-N 0 0 423.469 4.188 20 5 HIBDRN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000519193778 927820725 /nfs/dbraw/zinc/82/07/25/927820725.db2.gz RTTZXBZZMZFKIB-UHFFFAOYSA-N 0 0 418.881 4.093 20 5 HIBDRN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000519198799 927823654 /nfs/dbraw/zinc/82/36/54/927823654.db2.gz WXBROFXZXZLBDI-UHFFFAOYSA-N 0 0 412.446 4.061 20 5 HIBDRN Cc1ccc2[nH]c([C@H]3CCCN(c4c(Br)cncc4[N+](=O)[O-])C3)nc2c1 ZINC000519606332 928027018 /nfs/dbraw/zinc/02/70/18/928027018.db2.gz DWPCKUQONSSZFK-LBPRGKRZSA-N 0 0 416.279 4.321 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(OCC(F)F)cc2)cc1[N+](=O)[O-] ZINC000519663378 928039969 /nfs/dbraw/zinc/03/99/69/928039969.db2.gz VTFUVWINFFHQKI-UHFFFAOYSA-N 0 0 421.400 4.113 20 5 HIBDRN COc1cc(Cc2noc(C3(Oc4ccc(Cl)cc4)CC3)n2)ccc1[N+](=O)[O-] ZINC000519816461 928085892 /nfs/dbraw/zinc/08/58/92/928085892.db2.gz NEPUKYACKVETJK-UHFFFAOYSA-N 0 0 401.806 4.299 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](C)CC[C@H]2c2ccccc2OC)c([N+](=O)[O-])cc1OC ZINC000519844778 928091723 /nfs/dbraw/zinc/09/17/23/928091723.db2.gz GROYWXRJHQMVGT-PBHICJAKSA-N 0 0 414.458 4.234 20 5 HIBDRN C[C@@H]1CCC[C@@H](OCc2cccc(Nc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])c2)C1 ZINC000519874151 928109195 /nfs/dbraw/zinc/10/91/95/928109195.db2.gz CBYDUGUZFGMWFF-RHSMWYFYSA-N 0 0 419.503 4.081 20 5 HIBDRN CCN(Cc1cccc(Br)c1)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000519896719 928130439 /nfs/dbraw/zinc/13/04/39/928130439.db2.gz CEWCFOGVMAPFBQ-UHFFFAOYSA-N 0 0 422.279 4.098 20 5 HIBDRN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520001676 928227076 /nfs/dbraw/zinc/22/70/76/928227076.db2.gz OGCKCCMAYKVSSN-UHFFFAOYSA-N 0 0 404.348 4.072 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl ZINC000520011097 928234133 /nfs/dbraw/zinc/23/41/33/928234133.db2.gz QIOGEEYEAAYHOO-UHFFFAOYSA-N 0 0 400.822 4.473 20 5 HIBDRN O=[N+]([O-])c1ccc(OCCSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 ZINC000520014409 928238988 /nfs/dbraw/zinc/23/89/88/928238988.db2.gz PCWSCZDIKZHKAH-UHFFFAOYSA-N 0 0 418.784 4.481 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000520033872 928257238 /nfs/dbraw/zinc/25/72/38/928257238.db2.gz GTULMBZCYMSFJE-CQSZACIVSA-N 0 0 407.879 4.293 20 5 HIBDRN COc1ccc(CC[C@@H](C)Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 ZINC000520064021 928290253 /nfs/dbraw/zinc/29/02/53/928290253.db2.gz ZSLJGWFHPUHUDG-OAHLLOKOSA-N 0 0 408.458 4.001 20 5 HIBDRN CCNc1ccc(C(=O)NC2(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] ZINC000520095817 928305922 /nfs/dbraw/zinc/30/59/22/928305922.db2.gz BIVFBWBDJPWNCK-UHFFFAOYSA-N 0 0 404.264 4.208 20 5 HIBDRN CCOc1cc(NC(=O)c2nc(C(C)C)ncc2Cl)c([N+](=O)[O-])cc1OCC ZINC000520097930 928307536 /nfs/dbraw/zinc/30/75/36/928307536.db2.gz PMHHFCRCMAVKTD-UHFFFAOYSA-N 0 0 408.842 4.211 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000520156487 928348869 /nfs/dbraw/zinc/34/88/69/928348869.db2.gz LVLFPNGSWAYJEQ-JTQLQIEISA-N 0 0 419.286 4.292 20 5 HIBDRN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000520227228 928399465 /nfs/dbraw/zinc/39/94/65/928399465.db2.gz LZGHRETXBRVIGO-UHFFFAOYSA-N 0 0 413.437 4.134 20 5 HIBDRN O=C(Nc1cccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1)c1cccs1 ZINC000520225806 928400511 /nfs/dbraw/zinc/40/05/11/928400511.db2.gz SAESWVSPTVFEPL-GOSISDBHSA-N 0 0 422.466 4.126 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1 ZINC000520227869 928401575 /nfs/dbraw/zinc/40/15/75/928401575.db2.gz DWIACVUVIGRABO-ZDUSSCGKSA-N 0 0 411.849 4.195 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000520246630 928414127 /nfs/dbraw/zinc/41/41/27/928414127.db2.gz ZHFAYPLPZTWAKC-UHFFFAOYSA-N 0 0 406.460 4.332 20 5 HIBDRN COC(=O)c1ccccc1CC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000520267415 928433146 /nfs/dbraw/zinc/43/31/46/928433146.db2.gz JTMOOBSHMWHQRV-UHFFFAOYSA-N 0 0 416.861 4.130 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000520280131 928442156 /nfs/dbraw/zinc/44/21/56/928442156.db2.gz MIOUSRZNCSDQKA-UHFFFAOYSA-N 0 0 406.282 4.146 20 5 HIBDRN Cc1nc(C(F)(F)F)ccc1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000520281888 928444468 /nfs/dbraw/zinc/44/44/68/928444468.db2.gz INEGKORQLNAKMV-UHFFFAOYSA-N 0 0 407.352 4.163 20 5 HIBDRN O=C(Nc1ccc(Cc2nnc3ccccn32)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000520318984 928481142 /nfs/dbraw/zinc/48/11/42/928481142.db2.gz PUOXZHKUMRBTLX-UHFFFAOYSA-N 0 0 407.817 4.134 20 5 HIBDRN CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000520337834 928501477 /nfs/dbraw/zinc/50/14/77/928501477.db2.gz IGOVXUHPMDGVGQ-IBGZPJMESA-N 0 0 407.474 4.425 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520344095 928506949 /nfs/dbraw/zinc/50/69/49/928506949.db2.gz FGKHDTIOOVGTEH-LSDHHAIUSA-N 0 0 401.216 4.389 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000520382172 928534990 /nfs/dbraw/zinc/53/49/90/928534990.db2.gz ZULRRIDBYAADTL-DYVFJYSZSA-N 0 0 404.850 4.388 20 5 HIBDRN CC[C@@H](c1ccccc1)N(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000520387582 928539800 /nfs/dbraw/zinc/53/98/00/928539800.db2.gz WTCIHRGFVDIDAB-SFHVURJKSA-N 0 0 406.504 4.401 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@H]2CCc3c2cccc3O)cc1[N+](=O)[O-])c1ccccn1 ZINC000520396546 928546108 /nfs/dbraw/zinc/54/61/08/928546108.db2.gz WOXKGGFGYDOFHW-LIRRHRJNSA-N 0 0 418.453 4.286 20 5 HIBDRN COCCCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000520408775 928551060 /nfs/dbraw/zinc/55/10/60/928551060.db2.gz QHPFVEXZJRXRPV-ZDUSSCGKSA-N 0 0 408.838 4.070 20 5 HIBDRN COc1cnc2ccccc2c1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000520421881 928557298 /nfs/dbraw/zinc/55/72/98/928557298.db2.gz MHJIYQUUVQNFTK-UHFFFAOYSA-N 0 0 405.332 4.100 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1ccsc1Br)c1cccc([N+](=O)[O-])c1 ZINC000520433900 928562719 /nfs/dbraw/zinc/56/27/19/928562719.db2.gz LCFBNKZSRJSDDZ-AWEZNQCLSA-N 0 0 407.293 4.032 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000520456640 928575698 /nfs/dbraw/zinc/57/56/98/928575698.db2.gz OKTDSIWKEFONHW-UHFFFAOYSA-N 0 0 417.387 4.485 20 5 HIBDRN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c2c(n1)onc2C(C)C ZINC000520466954 928582441 /nfs/dbraw/zinc/58/24/41/928582441.db2.gz LQVWIGYJNSFWPH-UHFFFAOYSA-N 0 0 406.345 4.417 20 5 HIBDRN Cn1c(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000520478108 928590220 /nfs/dbraw/zinc/59/02/20/928590220.db2.gz AKXVOPMYBULYAT-SFHVURJKSA-N 0 0 414.259 4.215 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000520528291 928620516 /nfs/dbraw/zinc/62/05/16/928620516.db2.gz YWNWGJSVFRZPEQ-XXFAHNHDSA-N 0 0 422.304 4.274 20 5 HIBDRN C[C@@H](CC(C)(C)c1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000520563030 928643619 /nfs/dbraw/zinc/64/36/19/928643619.db2.gz GEJWOZWRIHZZKR-KRWDZBQOSA-N 0 0 411.502 4.236 20 5 HIBDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000520675617 928721444 /nfs/dbraw/zinc/72/14/44/928721444.db2.gz 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XNUKCEZVYRVESL-UHFFFAOYSA-N 0 0 404.422 4.385 20 5 HIBDRN Cc1nccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1Br ZINC000527091039 930585366 /nfs/dbraw/zinc/58/53/66/930585366.db2.gz KDSPOLBXDVZPJA-UHFFFAOYSA-N 0 0 424.320 4.483 20 5 HIBDRN Cn1cc(-c2ncccc2NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cn1 ZINC000527286192 930626868 /nfs/dbraw/zinc/62/68/68/930626868.db2.gz KWWWZMOBHFOPCN-UHFFFAOYSA-N 0 0 414.425 4.386 20 5 HIBDRN Cn1ncc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1C(F)F ZINC000527336879 930637854 /nfs/dbraw/zinc/63/78/54/930637854.db2.gz VGNVTVMFEXJGJT-UHFFFAOYSA-N 0 0 402.357 4.097 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)c1 ZINC000527340383 930639112 /nfs/dbraw/zinc/63/91/12/930639112.db2.gz NTDPEXULRMBNJN-HNNXBMFYSA-N 0 0 405.248 4.262 20 5 HIBDRN O=C(Nc1ccsc1Cl)c1cc(I)cc([N+](=O)[O-])c1 ZINC000527342249 930639972 /nfs/dbraw/zinc/63/99/72/930639972.db2.gz WJCFGAMXGDCOOL-UHFFFAOYSA-N 0 0 408.604 4.167 20 5 HIBDRN CCN1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000530461530 930716389 /nfs/dbraw/zinc/71/63/89/930716389.db2.gz RJXURWCSBTWXJH-LPHOPBHVSA-N 0 0 422.407 4.278 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000530539729 930740695 /nfs/dbraw/zinc/74/06/95/930740695.db2.gz VPNNOAUNQALOFP-QGZVFWFLSA-N 0 0 405.458 4.263 20 5 HIBDRN COc1cc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000530726715 930809033 /nfs/dbraw/zinc/80/90/33/930809033.db2.gz XKIVODIBCRDAGN-LBPRGKRZSA-N 0 0 409.389 4.074 20 5 HIBDRN CCOC(=O)C[C@@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000530776757 930821162 /nfs/dbraw/zinc/82/11/62/930821162.db2.gz GUTAJMHACHSNLY-QGZVFWFLSA-N 0 0 415.446 4.036 20 5 HIBDRN O=C(CCc1nc2cc(Cl)ccc2s1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000530795920 930825697 /nfs/dbraw/zinc/82/56/97/930825697.db2.gz WMRGSICZQPIRQG-UHFFFAOYSA-N 0 0 401.875 4.375 20 5 HIBDRN Cc1c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1F ZINC000530987599 930877803 /nfs/dbraw/zinc/87/78/03/930877803.db2.gz FJMJQEJUJGWTRN-UHFFFAOYSA-N 0 0 400.385 4.032 20 5 HIBDRN COc1ccc(Br)cc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000531005594 930881689 /nfs/dbraw/zinc/88/16/89/930881689.db2.gz BCUYMZIFFYPPEF-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1(O)CCCC1 ZINC000531019971 930886950 /nfs/dbraw/zinc/88/69/50/930886950.db2.gz MYCNIAPESDEELL-UHFFFAOYSA-N 0 0 408.813 4.101 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000531021810 930887028 /nfs/dbraw/zinc/88/70/28/930887028.db2.gz LNBRLDLDRDJWGU-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cccc4ccncc43)cc2)c(C)c1[N+](=O)[O-] ZINC000531035151 930891466 /nfs/dbraw/zinc/89/14/66/930891466.db2.gz YNNJXURPTLWMIS-UHFFFAOYSA-N 0 0 401.426 4.257 20 5 HIBDRN COc1cccc(C[C@H]2CCCN2c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1 ZINC000531142787 930943454 /nfs/dbraw/zinc/94/34/54/930943454.db2.gz OTEUKTWOCVHWRJ-GOSISDBHSA-N 0 0 409.486 4.051 20 5 HIBDRN Cc1c(C(=O)Nc2nccn2Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000531279647 930997526 /nfs/dbraw/zinc/99/75/26/930997526.db2.gz JYKXWDLWICYPPL-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000531311059 931012379 /nfs/dbraw/zinc/01/23/79/931012379.db2.gz WUZAEVIFQLTDPX-UHFFFAOYSA-N 0 0 404.348 4.105 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000531481268 931072435 /nfs/dbraw/zinc/07/24/35/931072435.db2.gz AJZRLTSQGAHREK-SFHVURJKSA-N 0 0 420.872 4.024 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000531491873 931076489 /nfs/dbraw/zinc/07/64/89/931076489.db2.gz FYAKGYFQKBMILC-UHFFFAOYSA-N 0 0 422.485 4.300 20 5 HIBDRN Cc1nc2c(s1)[C@H](N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br)CCC2 ZINC000531505510 931082583 /nfs/dbraw/zinc/08/25/83/931082583.db2.gz ONWRLLBYXHUMCJ-OAHLLOKOSA-N 0 0 424.320 4.201 20 5 HIBDRN Cn1cc(C(=O)N2CCC(Cc3ccccc3F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000531517658 931088145 /nfs/dbraw/zinc/08/81/45/931088145.db2.gz BYPMGVHFMAXFHX-UHFFFAOYSA-N 0 0 422.460 4.229 20 5 HIBDRN COc1ccc(CC(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000531561601 931103583 /nfs/dbraw/zinc/10/35/83/931103583.db2.gz ZPMYFTURSNKHPL-LJQANCHMSA-N 0 0 410.470 4.190 20 5 HIBDRN CC(C)c1nnc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)s1 ZINC000531576132 931107094 /nfs/dbraw/zinc/10/70/94/931107094.db2.gz JDDYMBCUZGHHOT-UHFFFAOYSA-N 0 0 411.487 4.112 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000531633904 931133977 /nfs/dbraw/zinc/13/39/77/931133977.db2.gz QXFQQSNKJHNOLV-UHFFFAOYSA-N 0 0 402.863 4.273 20 5 HIBDRN C[C@@H](NC(=O)N1CCc2cccc(Br)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000531789881 931199294 /nfs/dbraw/zinc/19/92/94/931199294.db2.gz JCVUHANVOZFGKI-GFCCVEGCSA-N 0 0 404.264 4.186 20 5 HIBDRN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000531869359 931228305 /nfs/dbraw/zinc/22/83/05/931228305.db2.gz GRUWQKYHCLKWRI-LBPRGKRZSA-N 0 0 416.396 4.198 20 5 HIBDRN COc1ccc(CSCc2nc(COc3ccc(F)cc3)no2)cc1[N+](=O)[O-] ZINC000531943224 931255812 /nfs/dbraw/zinc/25/58/12/931255812.db2.gz BYMCVVGGKNKKPS-UHFFFAOYSA-N 0 0 405.407 4.138 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CCO[C@@](C)(c4ccccc4)C3)cc2[N+](=O)[O-])CC1 ZINC000532106367 931314081 /nfs/dbraw/zinc/31/40/81/931314081.db2.gz XUAUAJYZQASBAU-XMMPIXPASA-N 0 0 423.513 4.219 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)cc1 ZINC000532121928 931321065 /nfs/dbraw/zinc/32/10/65/931321065.db2.gz ONYDVRSPXBIDQZ-GFCCVEGCSA-N 0 0 405.414 4.180 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000532144425 931327875 /nfs/dbraw/zinc/32/78/75/931327875.db2.gz SXMAKCUFSNJFMB-UHFFFAOYSA-N 0 0 410.257 4.118 20 5 HIBDRN C[C@H](Cc1nc2ccccc2s1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000532184930 931339480 /nfs/dbraw/zinc/33/94/80/931339480.db2.gz YILLPCRLERKTHI-VXGBXAGGSA-N 0 0 419.890 4.373 20 5 HIBDRN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000532354495 931405376 /nfs/dbraw/zinc/40/53/76/931405376.db2.gz HHGYOJKXRGQBEV-SJORKVTESA-N 0 0 411.502 4.240 20 5 HIBDRN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000532354493 931405734 /nfs/dbraw/zinc/40/57/34/931405734.db2.gz HHGYOJKXRGQBEV-IAGOWNOFSA-N 0 0 411.502 4.240 20 5 HIBDRN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000532391855 931420486 /nfs/dbraw/zinc/42/04/86/931420486.db2.gz PBNIMLRIBZVCDF-UHFFFAOYSA-N 0 0 408.361 4.308 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N2CCC(OC3CCC(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000532556447 931522328 /nfs/dbraw/zinc/52/23/28/931522328.db2.gz IRCRQZJJTFMANA-NXYGQSRBSA-N 0 0 403.523 4.290 20 5 HIBDRN O=C1[C@H](N2CCC[C@H](c3nc4ccccc4s3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000532625854 931559242 /nfs/dbraw/zinc/55/92/42/931559242.db2.gz PZRLDQDSVDNQCO-HNAYVOBHSA-N 0 0 422.510 4.189 20 5 HIBDRN CCS[C@@H](C)c1noc(COc2c(C)cc(Br)cc2[N+](=O)[O-])n1 ZINC000532629701 931561431 /nfs/dbraw/zinc/56/14/31/931561431.db2.gz CSTZDOWEBYBQTP-VIFPVBQESA-N 0 0 402.270 4.442 20 5 HIBDRN COc1cc(CNc2ccc(N(C)C)cn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000532674376 931578752 /nfs/dbraw/zinc/57/87/52/931578752.db2.gz GOFQQFDQZVCOHI-UHFFFAOYSA-N 0 0 408.458 4.256 20 5 HIBDRN CN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000532753560 931623073 /nfs/dbraw/zinc/62/30/73/931623073.db2.gz VBVXTWOUYZEXRP-HSZRJFAPSA-N 0 0 421.522 4.262 20 5 HIBDRN CN(C(=O)CN1CCC[C@@H](COc2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532824379 931641736 /nfs/dbraw/zinc/64/17/36/931641736.db2.gz ATFROWPMEZRRQP-MRXNPFEDSA-N 0 0 417.893 4.002 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN3CCC(CCc4ccc(O)cc4)CC3)n2)cc1 ZINC000532920782 931694662 /nfs/dbraw/zinc/69/46/62/931694662.db2.gz WRXJHUQOPMIFFP-UHFFFAOYSA-N 0 0 408.458 4.195 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000532928961 931699046 /nfs/dbraw/zinc/69/90/46/931699046.db2.gz JDXNCSGROAHRLH-LBPRGKRZSA-N 0 0 411.380 4.254 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(n3ccnc3)CC2)c([N+](=O)[O-])c1 ZINC000533025488 931743505 /nfs/dbraw/zinc/74/35/05/931743505.db2.gz XZBBEQJRAFGRGB-JOCHJYFZSA-N 0 0 419.485 4.117 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000533062660 931759679 /nfs/dbraw/zinc/75/96/79/931759679.db2.gz WUFADFSFINGAFD-FQEVSTJZSA-N 0 0 408.458 4.250 20 5 HIBDRN Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533065399 931761041 /nfs/dbraw/zinc/76/10/41/931761041.db2.gz KNURSKMFNOOHLR-LJQANCHMSA-N 0 0 418.457 4.259 20 5 HIBDRN COc1ccc(OCCN2CCCC[C@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000533066044 931761789 /nfs/dbraw/zinc/76/17/89/931761789.db2.gz 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COc1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc(Br)c1OC ZINC000563309997 945174014 /nfs/dbraw/zinc/17/40/14/945174014.db2.gz WTGOFSXJXFGNNK-UHFFFAOYSA-N 0 0 406.192 4.092 20 5 HIBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000538043354 938479124 /nfs/dbraw/zinc/47/91/24/938479124.db2.gz LMCYWPJGAJRLMN-YVEFUNNKSA-N 0 0 407.264 4.172 20 5 HIBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000538057319 938489010 /nfs/dbraw/zinc/48/90/10/938489010.db2.gz UFUBHOKFJZULRN-YVEFUNNKSA-N 0 0 407.264 4.172 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000538135646 938516338 /nfs/dbraw/zinc/51/63/38/938516338.db2.gz ADSACARMDCWEQO-CABCVRRESA-N 0 0 403.504 4.392 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CNc3cc(F)c(Br)c(F)c3)n2)c1 ZINC000538138112 938516807 /nfs/dbraw/zinc/51/68/07/938516807.db2.gz COSXRYCJIFFXOP-UHFFFAOYSA-N 0 0 411.162 4.298 20 5 HIBDRN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000538141790 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CCCN1C(=O)CCc2cc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)ccc21 ZINC000539150929 938811752 /nfs/dbraw/zinc/81/17/52/938811752.db2.gz GYCFBQAQUTVYAS-UHFFFAOYSA-N 0 0 408.458 4.111 20 5 HIBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000539156710 938813470 /nfs/dbraw/zinc/81/34/70/938813470.db2.gz DTTOAYYLBDXFHG-BJOHPYRUSA-N 0 0 413.293 4.233 20 5 HIBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000539171100 938815308 /nfs/dbraw/zinc/81/53/08/938815308.db2.gz UQBVOEWDTRUPHR-QFYYESIMSA-N 0 0 411.227 4.002 20 5 HIBDRN O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1cccc(-c2ccoc2)c1 ZINC000539223824 938821107 /nfs/dbraw/zinc/82/11/07/938821107.db2.gz NDSCPWFDMFUDJS-UHFFFAOYSA-N 0 0 417.425 4.030 20 5 HIBDRN C[C@H](NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000539246462 938825252 /nfs/dbraw/zinc/82/52/52/938825252.db2.gz YRUNISBULYJCMD-INIZCTEOSA-N 0 0 407.474 4.320 20 5 HIBDRN CN(C(=O)C1=Cc2cc(F)ccc2OC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539352347 938846806 /nfs/dbraw/zinc/84/68/06/938846806.db2.gz GUGKLMQCFAGLLM-UHFFFAOYSA-N 0 0 411.414 4.296 20 5 HIBDRN CN(C(=O)c1cccc(NC(=O)C2CC2)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539354124 938847110 /nfs/dbraw/zinc/84/71/10/938847110.db2.gz NTDZLGFLWCDKST-UHFFFAOYSA-N 0 0 422.466 4.343 20 5 HIBDRN COCCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000539359214 938848200 /nfs/dbraw/zinc/84/82/00/938848200.db2.gz GYGKUXQXWPFKMA-UHFFFAOYSA-N 0 0 404.488 4.051 20 5 HIBDRN CC[C@H]1Oc2cc([C@H](C)NCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2NC1=O ZINC000539360019 938848241 /nfs/dbraw/zinc/84/82/41/938848241.db2.gz MVPWBUKQZMCNHX-ORAYPTAESA-N 0 0 422.441 4.210 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000539374358 938850953 /nfs/dbraw/zinc/85/09/53/938850953.db2.gz RCWUZWBKAYABRG-HNNXBMFYSA-N 0 0 421.563 4.108 20 5 HIBDRN Cc1ccc([C@H](C)NCc2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] ZINC000539379329 938851796 /nfs/dbraw/zinc/85/17/96/938851796.db2.gz NIAUTLITQPRWCP-LBPRGKRZSA-N 0 0 407.264 4.288 20 5 HIBDRN CCn1c2ccc(C)cc2nc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000539412231 938856906 /nfs/dbraw/zinc/85/69/06/938856906.db2.gz CDXFMSYCVYNJLP-UHFFFAOYSA-N 0 0 400.460 4.256 20 5 HIBDRN C[C@H](NC(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000539427843 938859100 /nfs/dbraw/zinc/85/91/00/938859100.db2.gz FGVCZUAPHGWFRP-JTQLQIEISA-N 0 0 416.331 4.152 20 5 HIBDRN CSc1ccc(C)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 ZINC000539438798 938860290 /nfs/dbraw/zinc/86/02/90/938860290.db2.gz JGXICNBHXKXFBE-UHFFFAOYSA-N 0 0 415.500 4.157 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000539446912 938861949 /nfs/dbraw/zinc/86/19/49/938861949.db2.gz USQURFHIUDBNRD-LJQANCHMSA-N 0 0 407.401 4.010 20 5 HIBDRN Cc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nn1-c1ccc(C)cc1 ZINC000539452334 938862822 /nfs/dbraw/zinc/86/28/22/938862822.db2.gz ZREKDLCMSXLRPN-UHFFFAOYSA-N 0 0 419.485 4.252 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)c1 ZINC000539500414 938869478 /nfs/dbraw/zinc/86/94/78/938869478.db2.gz HZNZZLNCYSDAMT-ZDUSSCGKSA-N 0 0 418.400 4.294 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCc2nc3cc(Cl)ccc3s2)c1 ZINC000539530534 938873981 /nfs/dbraw/zinc/87/39/81/938873981.db2.gz QGNCOMGJAYYBBO-UHFFFAOYSA-N 0 0 419.890 4.294 20 5 HIBDRN CC(C)Cn1ccc2cc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)ccc21 ZINC000539543339 938876790 /nfs/dbraw/zinc/87/67/90/938876790.db2.gz NWFUKABXLRRWBR-UHFFFAOYSA-N 0 0 422.485 4.294 20 5 HIBDRN CCc1c(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cnn1-c1ccccc1C ZINC000539564152 938880659 /nfs/dbraw/zinc/88/06/59/938880659.db2.gz VJJVKUIIDSOWBL-UHFFFAOYSA-N 0 0 408.458 4.367 20 5 HIBDRN Cc1ccc([C@H](NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000539587733 938884145 /nfs/dbraw/zinc/88/41/45/938884145.db2.gz FVKAOAQSOZSCOG-QHCPKHFHSA-N 0 0 405.454 4.281 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)NC)c1 ZINC000539646134 938893011 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HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539746411 938919551 /nfs/dbraw/zinc/91/95/51/938919551.db2.gz WZQLFMAUYRINQN-INIZCTEOSA-N 0 0 422.489 4.262 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)cc1[N+](=O)[O-] ZINC000539758483 938925089 /nfs/dbraw/zinc/92/50/89/938925089.db2.gz MJXCGOAXGSHYBQ-UHFFFAOYSA-N 0 0 403.398 4.184 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)Cc3c(Cl)cccc3Cl)c2)c1 ZINC000539765652 938930106 /nfs/dbraw/zinc/93/01/06/938930106.db2.gz XGBIJOHMTYMVKW-UHFFFAOYSA-N 0 0 412.254 4.143 20 5 HIBDRN CCCC(=O)Nc1cccc(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000539804338 938938329 /nfs/dbraw/zinc/93/83/29/938938329.db2.gz NOHAHBZKPIIVAZ-UHFFFAOYSA-N 0 0 418.881 4.029 20 5 HIBDRN Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Oc1cccnc1 ZINC000539838630 938954034 /nfs/dbraw/zinc/95/40/34/938954034.db2.gz URSSPAOEHIPQOR-GOSISDBHSA-N 0 0 405.458 4.172 20 5 HIBDRN COc1ccc(C(=O)C2CCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)cc1 ZINC000539845342 938956299 /nfs/dbraw/zinc/95/62/99/938956299.db2.gz JLXXLZNSBQZSAY-UHFFFAOYSA-N 0 0 410.470 4.264 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNc3ccccc3CN3CCOCC3)cs2)c1 ZINC000539932224 938978960 /nfs/dbraw/zinc/97/89/60/938978960.db2.gz XFMDIRZJBATIJQ-UHFFFAOYSA-N 0 0 410.499 4.163 20 5 HIBDRN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000539994000 939032261 /nfs/dbraw/zinc/03/22/61/939032261.db2.gz IUYQNNIMZYTXTQ-GFCCVEGCSA-N 0 0 417.874 4.016 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)c2ccccc2n1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000540062151 939055875 /nfs/dbraw/zinc/05/58/75/939055875.db2.gz LUBQGWIBAJUKJV-UHFFFAOYSA-N 0 0 417.343 4.287 20 5 HIBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000540239219 939158861 /nfs/dbraw/zinc/15/88/61/939158861.db2.gz FGMIQLZPKXLDNX-SJCJKPOMSA-N 0 0 407.264 4.172 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000540251225 939169324 /nfs/dbraw/zinc/16/93/24/939169324.db2.gz RUMHIYOGFFGGGX-QAPCUYQASA-N 0 0 403.797 4.129 20 5 HIBDRN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000540254172 939171940 /nfs/dbraw/zinc/17/19/40/939171940.db2.gz WBJDBVSTRJVDEM-LPHOPBHVSA-N 0 0 415.808 4.196 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000540272661 939178895 /nfs/dbraw/zinc/17/88/95/939178895.db2.gz KTQKLSUTVZAOFZ-INIZCTEOSA-N 0 0 416.787 4.039 20 5 HIBDRN Cc1c(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000540318968 939192441 /nfs/dbraw/zinc/19/24/41/939192441.db2.gz VPVYPAKJDVRRGN-SFHVURJKSA-N 0 0 421.419 4.375 20 5 HIBDRN Cc1c(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000540318967 939192895 /nfs/dbraw/zinc/19/28/95/939192895.db2.gz VPVYPAKJDVRRGN-GOSISDBHSA-N 0 0 421.419 4.375 20 5 HIBDRN COc1ccc(NC(C)=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000540394563 939232617 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COc1ccc2c(c1)C[C@@H](C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]2C ZINC000541023408 939433156 /nfs/dbraw/zinc/43/31/56/939433156.db2.gz QFYAGJZSNSPUQB-OLZOCXBDSA-N 0 0 403.866 4.203 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000541113183 939464505 /nfs/dbraw/zinc/46/45/05/939464505.db2.gz NPRLNPUIWQEAQE-UHFFFAOYSA-N 0 0 405.410 4.246 20 5 HIBDRN CC(C)(C)Oc1c(F)cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000541121929 939468924 /nfs/dbraw/zinc/46/89/24/939468924.db2.gz FGRIRYABKYLBTK-UHFFFAOYSA-N 0 0 416.384 4.488 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)[nH]c(=O)n1 ZINC000541127083 939470358 /nfs/dbraw/zinc/47/03/58/939470358.db2.gz CDLJZOXMWHCHAL-UHFFFAOYSA-N 0 0 400.778 4.097 20 5 HIBDRN CCOc1ccc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000541134795 939472954 /nfs/dbraw/zinc/47/29/54/939472954.db2.gz AMVPUMWXOFNFCD-GOSISDBHSA-N 0 0 424.375 4.226 20 5 HIBDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000541160040 939481305 /nfs/dbraw/zinc/48/13/05/939481305.db2.gz NHVGUAYQSGJPGZ-SECBINFHSA-N 0 0 408.423 4.276 20 5 HIBDRN CC(C)(C)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541166573 939483895 /nfs/dbraw/zinc/48/38/95/939483895.db2.gz JHNFRTRFDWBZSM-WBVHZDCISA-N 0 0 408.861 4.059 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC=C(c3cccc4ccccc43)C2)s1 ZINC000541192273 939485070 /nfs/dbraw/zinc/48/50/70/939485070.db2.gz IGZXGXVFPGASMP-UHFFFAOYSA-N 0 0 400.481 4.117 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ccc(C)nc3)CC2)cc1SC ZINC000541230209 939486643 /nfs/dbraw/zinc/48/66/43/939486643.db2.gz VNFUQZHLXLXVFA-UHFFFAOYSA-N 0 0 401.488 4.049 20 5 HIBDRN O=C(NC1CC1)c1ccc(N2CCCc3c4cccc(F)c4[nH]c3C2)c([N+](=O)[O-])c1 ZINC000541231161 939486688 /nfs/dbraw/zinc/48/66/88/939486688.db2.gz JBBQQIXQLYAXIG-UHFFFAOYSA-N 0 0 408.433 4.060 20 5 HIBDRN 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HIBDRN CCOc1ccc([C@@H](C)Nc2ccc(C)c(-c3nnnn3C3CC3)c2)cc1[N+](=O)[O-] ZINC000541559798 939555540 /nfs/dbraw/zinc/55/55/40/939555540.db2.gz IQXZOZIWCBBHIT-CQSZACIVSA-N 0 0 408.462 4.463 20 5 HIBDRN COc1ccc([C@@H](OC)[C@@H](C)Nc2ncc([N+](=O)[O-])c(C)c2Br)cc1 ZINC000541576108 939559167 /nfs/dbraw/zinc/55/91/67/939559167.db2.gz WJDHQTAIHHTLHV-BZNIZROVSA-N 0 0 410.268 4.257 20 5 HIBDRN Cc1c(Br)c(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] ZINC000541576271 939559188 /nfs/dbraw/zinc/55/91/88/939559188.db2.gz FDTXFXAURRGVTK-MEBBXXQBSA-N 0 0 410.243 4.166 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(NCc3cn(-c4ccccc4)nc3-c3ccncc3)c21 ZINC000541579477 939559658 /nfs/dbraw/zinc/55/96/58/939559658.db2.gz ZFFREGSEFMWKIE-UHFFFAOYSA-N 0 0 423.436 4.398 20 5 HIBDRN O=C(c1ccnc(O[C@H]2CCOC2)c1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000541581935 939559935 /nfs/dbraw/zinc/55/99/35/939559935.db2.gz GCFDLYSSOAPNCW-NRFANRHFSA-N 0 0 419.437 4.005 20 5 HIBDRN COCCOC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541582823 939560318 /nfs/dbraw/zinc/56/03/18/939560318.db2.gz PUQBRAQUVAYLHY-QGZVFWFLSA-N 0 0 422.547 4.002 20 5 HIBDRN COc1cc(CN(C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)ccc1OC(F)F ZINC000541584586 939560782 /nfs/dbraw/zinc/56/07/82/939560782.db2.gz JPJKGDYVKZXVEU-NSHDSACASA-N 0 0 412.364 4.106 20 5 HIBDRN COc1ccccc1COC1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000541595069 939562632 /nfs/dbraw/zinc/56/26/32/939562632.db2.gz OOTFVDCMAZHURM-HNNXBMFYSA-N 0 0 416.449 4.054 20 5 HIBDRN CCNc1ccc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000541635190 939578234 /nfs/dbraw/zinc/57/82/34/939578234.db2.gz OUZULCTUYFYRLO-PXNSSMCTSA-N 0 0 401.438 4.158 20 5 HIBDRN CCNc1ccc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000541635189 939578266 /nfs/dbraw/zinc/57/82/66/939578266.db2.gz OUZULCTUYFYRLO-FXAWDEMLSA-N 0 0 401.438 4.158 20 5 HIBDRN CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000541666480 939595453 /nfs/dbraw/zinc/59/54/53/939595453.db2.gz BNPOTZJBLVLTDF-CYBMUJFWSA-N 0 0 423.466 4.018 20 5 HIBDRN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541723707 939614775 /nfs/dbraw/zinc/61/47/75/939614775.db2.gz MIWQVKHEXVEIST-YOEHRIQHSA-N 0 0 410.449 4.187 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)c1 ZINC000541801049 939636586 /nfs/dbraw/zinc/63/65/86/939636586.db2.gz VULULWSGLFSTTC-UHFFFAOYSA-N 0 0 419.503 4.305 20 5 HIBDRN COC(=O)CCSCc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000541833903 939644787 /nfs/dbraw/zinc/64/47/87/939644787.db2.gz UIFQUUCUNZQQBI-UHFFFAOYSA-N 0 0 407.423 4.174 20 5 HIBDRN Cc1c(NC(=O)c2ncc(Br)cc2Br)cccc1[N+](=O)[O-] ZINC000541838339 939645617 /nfs/dbraw/zinc/64/56/17/939645617.db2.gz DOUQLTPXXBTTQL-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN COc1ccc2c(c1)C[C@H](C)N(C(=O)COc1ccc([N+](=O)[O-])c3cccnc13)[C@@H]2C 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LRBILWZXVZKLNC-UHFFFAOYSA-N 0 0 419.865 4.127 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000542068719 939702289 /nfs/dbraw/zinc/70/22/89/939702289.db2.gz QMEPUJPOUYCGDL-GOSISDBHSA-N 0 0 408.376 4.146 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000542068720 939702330 /nfs/dbraw/zinc/70/23/30/939702330.db2.gz QMEPUJPOUYCGDL-SFHVURJKSA-N 0 0 408.376 4.146 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC(=O)N(CC)CC)CC1 ZINC000542074566 939702995 /nfs/dbraw/zinc/70/29/95/939702995.db2.gz XYWIXGORZSBFNT-UHFFFAOYSA-N 0 0 421.563 4.208 20 5 HIBDRN CCCc1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000542175338 939744400 /nfs/dbraw/zinc/74/44/00/939744400.db2.gz PVQRNROUIMXOBS-UHFFFAOYSA-N 0 0 416.441 4.171 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000542192317 939751472 /nfs/dbraw/zinc/75/14/72/939751472.db2.gz SGLLHEYUOSIPML-LAUBAEHRSA-N 0 0 400.500 4.279 20 5 HIBDRN Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1OCC1CCOCC1 ZINC000542195437 939752606 /nfs/dbraw/zinc/75/26/06/939752606.db2.gz BJTAQIQXAHXYHS-UHFFFAOYSA-N 0 0 416.499 4.439 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000542199075 939753647 /nfs/dbraw/zinc/75/36/47/939753647.db2.gz KMESMVBBVOGEEB-KSSFIOAISA-N 0 0 410.854 4.126 20 5 HIBDRN CCOC(=O)c1ccccc1N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542213941 939759816 /nfs/dbraw/zinc/75/98/16/939759816.db2.gz JLGVTDKBALXSHZ-UHFFFAOYSA-N 0 0 408.863 4.180 20 5 HIBDRN C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC000542232911 939766942 /nfs/dbraw/zinc/76/69/42/939766942.db2.gz YLERBENBXXHNSQ-LLVKDONJSA-N 0 0 418.862 4.268 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000542322138 939799453 /nfs/dbraw/zinc/79/94/53/939799453.db2.gz GQDOCRUGCCEVQD-AWEZNQCLSA-N 0 0 406.385 4.143 20 5 HIBDRN C[C@H](CN(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1nccs1 ZINC000542336424 939802682 /nfs/dbraw/zinc/80/26/82/939802682.db2.gz PJUPAIWCENVCCI-LSDHHAIUSA-N 0 0 402.520 4.163 20 5 HIBDRN C[C@H](CN(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1nccs1 ZINC000542336423 939802694 /nfs/dbraw/zinc/80/26/94/939802694.db2.gz PJUPAIWCENVCCI-HUUCEWRRSA-N 0 0 402.520 4.163 20 5 HIBDRN Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1-c1nnnn1C1CC1 ZINC000542344186 939804124 /nfs/dbraw/zinc/80/41/24/939804124.db2.gz OXPNYOLZBSZUPW-UHFFFAOYSA-N 0 0 420.454 4.359 20 5 HIBDRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000542365291 939808385 /nfs/dbraw/zinc/80/83/85/939808385.db2.gz VGEITMVHMWHFJF-PZJWPPBQSA-N 0 0 420.469 4.016 20 5 HIBDRN O=[N+]([O-])c1ccc(CNCc2ccc(OCCOc3ccccc3)nc2)c(Cl)c1 ZINC000542469547 939828249 /nfs/dbraw/zinc/82/82/49/939828249.db2.gz PFMWFXHIPHHJSN-UHFFFAOYSA-N 0 0 413.861 4.391 20 5 HIBDRN CCc1ccc([C@H](NC[C@H](O)COc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542478999 939830166 /nfs/dbraw/zinc/83/01/66/939830166.db2.gz LTANGXWCWDFUOI-PGRDOPGGSA-N 0 0 414.433 4.008 20 5 HIBDRN CCc1ccc([C@H](NCC(=O)N(C)Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542480239 939830522 /nfs/dbraw/zinc/83/05/22/939830522.db2.gz YTRXLOJKQWVRDH-HSZRJFAPSA-N 0 0 407.470 4.088 20 5 HIBDRN CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)no1 ZINC000542493549 939832707 /nfs/dbraw/zinc/83/27/07/939832707.db2.gz FMWXOXSPATXIDK-CYBMUJFWSA-N 0 0 424.404 4.460 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542514240 939835313 /nfs/dbraw/zinc/83/53/13/939835313.db2.gz CAGROENRSFPFAR-CQSZACIVSA-N 0 0 423.448 4.461 20 5 HIBDRN O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000542519210 939836346 /nfs/dbraw/zinc/83/63/46/939836346.db2.gz LBXVHLWVEQBOQC-GOSISDBHSA-N 0 0 423.860 4.144 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)c21 ZINC000542520763 939836625 /nfs/dbraw/zinc/83/66/25/939836625.db2.gz KAJDHZYMVLVZKL-AWEZNQCLSA-N 0 0 420.404 4.111 20 5 HIBDRN C[C@H](C(=O)N(C)Cc1cccc(OC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542533864 939839132 /nfs/dbraw/zinc/83/91/32/939839132.db2.gz XVCUDKKESDMJOR-NSHDSACASA-N 0 0 400.328 4.395 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000542535263 939839411 /nfs/dbraw/zinc/83/94/11/939839411.db2.gz KBWHKWSDXJDDOP-DCPHZVHLSA-N 0 0 401.438 4.323 20 5 HIBDRN C[C@@H](C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccc([N+](=O)[O-])cc1F ZINC000542541082 939840659 /nfs/dbraw/zinc/84/06/59/939840659.db2.gz BKRCXBRJPZEDGE-CYBMUJFWSA-N 0 0 413.380 4.480 20 5 HIBDRN COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542541656 939840962 /nfs/dbraw/zinc/84/09/62/939840962.db2.gz ZIXUNNAWLMQJPX-VIFPVBQESA-N 0 0 414.311 4.282 20 5 HIBDRN C[C@H](C(=O)NCc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000542542609 939841098 /nfs/dbraw/zinc/84/10/98/939841098.db2.gz ZNPYXYJITJGYKU-NSHDSACASA-N 0 0 400.328 4.095 20 5 HIBDRN C[C@@H](C(=O)NCc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000542542608 939841208 /nfs/dbraw/zinc/84/12/08/939841208.db2.gz ZNPYXYJITJGYKU-LLVKDONJSA-N 0 0 400.328 4.095 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000542551984 939842461 /nfs/dbraw/zinc/84/24/61/939842461.db2.gz DUSJQGRIBUMAGL-PXNSSMCTSA-N 0 0 401.438 4.204 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000542551993 939842478 /nfs/dbraw/zinc/84/24/78/939842478.db2.gz DUSJQGRIBUMAGL-YLJYHZDGSA-N 0 0 401.438 4.204 20 5 HIBDRN Cc1cnc([C@H](C)CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000542572224 939845207 /nfs/dbraw/zinc/84/52/07/939845207.db2.gz CRUIFEQLUXUJHY-ZIAGYGMSSA-N 0 0 402.520 4.130 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1nccs1 ZINC000542583615 939846231 /nfs/dbraw/zinc/84/62/31/939846231.db2.gz ORXHMWFEQZIMEY-RBSFLKMASA-N 0 0 402.520 4.067 20 5 HIBDRN 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C[C@H](CNC(=O)c1ccccc1)c1noc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000546468079 940828173 /nfs/dbraw/zinc/82/81/73/940828173.db2.gz FSTQUCQZPVKDAQ-ZIAGYGMSSA-N 0 0 412.471 4.365 20 5 HIBDRN COc1cc(Cc2noc(Cc3csc(-c4cccs4)n3)n2)ccc1[N+](=O)[O-] ZINC000546484358 940832422 /nfs/dbraw/zinc/83/24/22/940832422.db2.gz XOACASZBUYSXOL-UHFFFAOYSA-N 0 0 414.468 4.353 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(CCc4cnn(-c5ccccc5)c4)n3)c2c1 ZINC000546490202 940834567 /nfs/dbraw/zinc/83/45/67/940834567.db2.gz VSBHTEIEMPXWGS-UHFFFAOYSA-N 0 0 414.425 4.021 20 5 HIBDRN Cc1c(Cc2noc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cccc1[N+](=O)[O-] ZINC000546489267 940834569 /nfs/dbraw/zinc/83/45/69/940834569.db2.gz ALVSURDDAWBZGL-QGZVFWFLSA-N 0 0 424.432 4.036 20 5 HIBDRN Cc1cc(Cc2noc(-c3ccc(CNC(=O)C(C)(C)C)cc3)n2)ccc1[N+](=O)[O-] ZINC000546489708 940834591 /nfs/dbraw/zinc/83/45/91/940834591.db2.gz HIZYUHQKIOWVJU-UHFFFAOYSA-N 0 0 408.458 4.206 20 5 HIBDRN CCOc1cc(/C=C\c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)ccc1OC 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CCC(=O)c1cc(Cl)cc(Cl)c1OC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000550138691 941289014 /nfs/dbraw/zinc/28/90/14/941289014.db2.gz MDDVDJNAHUOOGD-CYBMUJFWSA-N 0 0 414.241 4.313 20 5 HIBDRN O=[N+]([O-])c1cnn(C[C@H](O)COc2ccc(-c3nc(-c4ccccc4)cs3)cc2)c1 ZINC000550172320 941292836 /nfs/dbraw/zinc/29/28/36/941292836.db2.gz ZDTICULPNJKFPY-SFHVURJKSA-N 0 0 422.466 4.022 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCN(C)c2ccc(F)cc21 ZINC000550323858 941314750 /nfs/dbraw/zinc/31/47/50/941314750.db2.gz CJEQFSFZTHKZTH-UHFFFAOYSA-N 0 0 422.254 4.292 20 5 HIBDRN O=C(NCCc1nc(-c2ccncc2)cs1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550457264 941329430 /nfs/dbraw/zinc/32/94/30/941329430.db2.gz BWQVNHGPUBZVFG-UHFFFAOYSA-N 0 0 422.388 4.105 20 5 HIBDRN COC(=O)C12CCC(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)(CC1)CC2 ZINC000550469143 941330106 /nfs/dbraw/zinc/33/01/06/941330106.db2.gz RLNQFDGHSDTOAJ-UHFFFAOYSA-N 0 0 415.471 4.170 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000550570860 941340299 /nfs/dbraw/zinc/34/02/99/941340299.db2.gz KAPPHEFCJRUCEN-UHFFFAOYSA-N 0 0 417.259 4.301 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000550648063 941349875 /nfs/dbraw/zinc/34/98/75/941349875.db2.gz RUSUNHIQBIFZPM-UHFFFAOYSA-N 0 0 420.513 4.364 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCOc2c(Cl)cccc21 ZINC000550656385 941350641 /nfs/dbraw/zinc/35/06/41/941350641.db2.gz MBHQKBIKQZZCCJ-UHFFFAOYSA-N 0 0 411.639 4.358 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000550715828 941358197 /nfs/dbraw/zinc/35/81/97/941358197.db2.gz RHRXRGKFKPAXST-CYBMUJFWSA-N 0 0 411.296 4.277 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(F)c(Br)cc1F ZINC000550843049 941373590 /nfs/dbraw/zinc/37/35/90/941373590.db2.gz VMCNPAVLSMCLKE-UHFFFAOYSA-N 0 0 410.174 4.298 20 5 HIBDRN O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)N(Cc1ccco1)Cc1ccccc1 ZINC000551099798 941409937 /nfs/dbraw/zinc/40/99/37/941409937.db2.gz NONRICZOQALICL-UHFFFAOYSA-N 0 0 424.844 4.420 20 5 HIBDRN CCOc1cc(NC(=O)c2csc(C(F)(F)F)n2)c([N+](=O)[O-])cc1OCC ZINC000551195842 941426541 /nfs/dbraw/zinc/42/65/41/941426541.db2.gz NVYPHWQIFNLKTD-UHFFFAOYSA-N 0 0 405.354 4.120 20 5 HIBDRN Cc1c(NC(=O)c2csc(C(F)(F)F)n2)cc(Br)cc1[N+](=O)[O-] ZINC000551284820 941443357 /nfs/dbraw/zinc/44/33/57/941443357.db2.gz PRUSEDPTMIHXLI-UHFFFAOYSA-N 0 0 410.171 4.393 20 5 HIBDRN Cc1ccc(C2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3C)CC2)cn1 ZINC000551317105 941450199 /nfs/dbraw/zinc/45/01/99/941450199.db2.gz SHRATBCZXQRWDP-UHFFFAOYSA-N 0 0 418.291 4.389 20 5 HIBDRN CCn1c(=O)c2c3c(sc2nc1Sc1ccc([N+](=O)[O-])nc1)C[C@H](C)CC3 ZINC000551319701 941451880 /nfs/dbraw/zinc/45/18/80/941451880.db2.gz YZHQJKCZRKSSLV-SNVBAGLBSA-N 0 0 402.501 4.057 20 5 HIBDRN CCOC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(F)cc1C ZINC000551346315 941458373 /nfs/dbraw/zinc/45/83/73/941458373.db2.gz ORZGCPBCOBJFFA-UHFFFAOYSA-N 0 0 414.311 4.490 20 5 HIBDRN COCCc1nnc(-c2cccc(C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)c2)o1 ZINC000551358674 941461221 /nfs/dbraw/zinc/46/12/21/941461221.db2.gz ZPFDLQSIEUTCGI-UHFFFAOYSA-N 0 0 424.457 4.384 20 5 HIBDRN O=C(CN1CCc2ccc(Br)cc2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000551465801 941485130 /nfs/dbraw/zinc/48/51/30/941485130.db2.gz RYZHPCNDKWHMFG-UHFFFAOYSA-N 0 0 424.682 4.008 20 5 HIBDRN O=C(Cc1coc(-c2cccs2)n1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551669397 941522358 /nfs/dbraw/zinc/52/23/58/941522358.db2.gz CLMCUIXWRNQVFJ-UHFFFAOYSA-N 0 0 408.233 4.255 20 5 HIBDRN CC[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000551707752 941530534 /nfs/dbraw/zinc/53/05/34/941530534.db2.gz QWMMBQBOJIFOGV-SFHVURJKSA-N 0 0 413.474 4.107 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000551762368 941540934 /nfs/dbraw/zinc/54/09/34/941540934.db2.gz RROAWBBBLVNTRL-KRWDZBQOSA-N 0 0 422.403 4.478 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000551974573 941564527 /nfs/dbraw/zinc/56/45/27/941564527.db2.gz DBXHAAUMURPTNF-MRXNPFEDSA-N 0 0 416.302 4.106 20 5 HIBDRN COc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(Br)c1 ZINC000551977623 941564711 /nfs/dbraw/zinc/56/47/11/941564711.db2.gz SNRKOBORWYKFBW-UHFFFAOYSA-N 0 0 407.264 4.417 20 5 HIBDRN Cn1ccnc1[C@@H](NCCc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000552046988 941573481 /nfs/dbraw/zinc/57/34/81/941573481.db2.gz XEDVCMFRDCOSTG-INIZCTEOSA-N 0 0 421.320 4.074 20 5 HIBDRN C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000552054183 941574925 /nfs/dbraw/zinc/57/49/25/941574925.db2.gz NLWBNBUQRNPRLJ-LIRRHRJNSA-N 0 0 400.866 4.128 20 5 HIBDRN COc1cc(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc(S(C)(=O)=O)c1 ZINC000552097796 941584772 /nfs/dbraw/zinc/58/47/72/941584772.db2.gz MWQLGJMENKXCSS-NRFANRHFSA-N 0 0 412.467 4.208 20 5 HIBDRN CC(C)(C(=O)NCc1ccncc1OCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000552103557 941585947 /nfs/dbraw/zinc/58/59/47/941585947.db2.gz ZVWQUCMKEWXZSS-UHFFFAOYSA-N 0 0 405.454 4.163 20 5 HIBDRN O=C(NCC1CCN(CC(F)F)CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000552120752 941589248 /nfs/dbraw/zinc/58/92/48/941589248.db2.gz CESYBSGZEKJONS-UHFFFAOYSA-N 0 0 419.428 4.094 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c1 ZINC000552241392 941611555 /nfs/dbraw/zinc/61/15/55/941611555.db2.gz NQXAUPLFGVUYKT-LJQANCHMSA-N 0 0 404.850 4.155 20 5 HIBDRN CSCc1cc(F)ccc1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552248614 941613323 /nfs/dbraw/zinc/61/33/23/941613323.db2.gz MVKHRTLEDPVYTL-LJQANCHMSA-N 0 0 400.479 4.210 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(-c2ccc(Br)cc2)c1 ZINC000552253057 941614676 /nfs/dbraw/zinc/61/46/76/941614676.db2.gz LKAITVJXSQMIKP-UHFFFAOYSA-N 0 0 415.247 4.168 20 5 HIBDRN C[C@@H](N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)cs1 ZINC000552277304 941621172 /nfs/dbraw/zinc/62/11/72/941621172.db2.gz RSZXDWSPGGWCAN-KUHUBIRLSA-N 0 0 420.498 4.287 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCOC[C@H]2C2CC2)cc1 ZINC000552290304 941623548 /nfs/dbraw/zinc/62/35/48/941623548.db2.gz HFJXZUMLAVGERL-QFIPXVFZSA-N 0 0 404.470 4.058 20 5 HIBDRN CCOc1cc(Sc2nnc(N3CCC(C)CC3)n2C2CC2)ccc1[N+](=O)[O-] ZINC000552377803 941649658 /nfs/dbraw/zinc/64/96/58/941649658.db2.gz VUZCKWYPAHWXIM-UHFFFAOYSA-N 0 0 403.508 4.307 20 5 HIBDRN Cn1cc(Nc2cccc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)c2)cn1 ZINC000552395815 941656271 /nfs/dbraw/zinc/65/62/71/941656271.db2.gz SXWDSQAKBIYUIK-UHFFFAOYSA-N 0 0 416.235 4.087 20 5 HIBDRN COc1ccc(C(=O)N(Cc2cccs2)C2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000552397288 941657402 /nfs/dbraw/zinc/65/74/02/941657402.db2.gz YBFJHEIFFZPYEU-UHFFFAOYSA-N 0 0 408.479 4.475 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000552419118 941665436 /nfs/dbraw/zinc/66/54/36/941665436.db2.gz ZZJLPVXGTYCGIQ-HXUWFJFHSA-N 0 0 422.403 4.440 20 5 HIBDRN Cn1ccc2ccc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cc2c1=O ZINC000552458092 941676229 /nfs/dbraw/zinc/67/62/29/941676229.db2.gz RTZNQAQGGLPDPS-UHFFFAOYSA-N 0 0 414.421 4.443 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)c1 ZINC000552475057 941682290 /nfs/dbraw/zinc/68/22/90/941682290.db2.gz HCARDEMFSVIFSJ-UHFFFAOYSA-N 0 0 407.879 4.049 20 5 HIBDRN CC(C)c1nc(C2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000552607964 941720773 /nfs/dbraw/zinc/72/07/73/941720773.db2.gz WWHIAGWAMZBODJ-UHFFFAOYSA-N 0 0 400.479 4.419 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000552610686 941722067 /nfs/dbraw/zinc/72/20/67/941722067.db2.gz JVPRVISGBOUPCF-UHFFFAOYSA-N 0 0 411.502 4.213 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCCc1ccc(Br)s1 ZINC000552612367 941723155 /nfs/dbraw/zinc/72/31/55/941723155.db2.gz RUVJEMMMPMRWQJ-UHFFFAOYSA-N 0 0 411.321 4.443 20 5 HIBDRN Cn1cc(C(=O)NCCn2ccc3cc(Cl)ccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000552721148 941745116 /nfs/dbraw/zinc/74/51/16/941745116.db2.gz HNZJHWVXLQSIJF-UHFFFAOYSA-N 0 0 423.860 4.033 20 5 HIBDRN O=C(Nc1ncc(-c2cccnc2)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000552757672 941753933 /nfs/dbraw/zinc/75/39/33/941753933.db2.gz QKPWGRLYWZQAFC-UHFFFAOYSA-N 0 0 424.360 4.307 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)cc1[N+](=O)[O-] ZINC000552770771 941757749 /nfs/dbraw/zinc/75/77/49/941757749.db2.gz HNMWJKKRCWROJY-INIZCTEOSA-N 0 0 422.304 4.355 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000552776236 941758560 /nfs/dbraw/zinc/75/85/60/941758560.db2.gz ZTQZCEFBVVVQHZ-MGPUTAFESA-N 0 0 403.454 4.430 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1c(O)cccc1Cl ZINC000552780143 941760486 /nfs/dbraw/zinc/76/04/86/941760486.db2.gz ZERSRMRGROQRQG-UHFFFAOYSA-N 0 0 403.744 4.413 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC(F)(F)F)CC1 ZINC000552786376 941762835 /nfs/dbraw/zinc/76/28/35/941762835.db2.gz YWIJLJSENDHTMX-UHFFFAOYSA-N 0 0 406.426 4.138 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000552830485 941780075 /nfs/dbraw/zinc/78/00/75/941780075.db2.gz DNWANHRKKUGWGW-REWPJTCUSA-N 0 0 423.513 4.339 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000552841928 941785944 /nfs/dbraw/zinc/78/59/44/941785944.db2.gz LOICVILZBFUCFS-MGPUTAFESA-N 0 0 420.473 4.253 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](NCc1ccccc1)c1ccco1 ZINC000552873503 941794914 /nfs/dbraw/zinc/79/49/14/941794914.db2.gz YEQKEAVHIRSJID-IBGZPJMESA-N 0 0 413.861 4.031 20 5 HIBDRN Cc1cc(F)ccc1C1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000552973589 941811133 /nfs/dbraw/zinc/81/11/33/941811133.db2.gz IGZSIHWFYJZGNU-UHFFFAOYSA-N 0 0 408.433 4.248 20 5 HIBDRN COc1ccc(CSCC(=O)NCc2ccc(C3CC3)cc2F)cc1[N+](=O)[O-] ZINC000553013914 941816140 /nfs/dbraw/zinc/81/61/40/941816140.db2.gz XWFUMJWSDLCFAE-UHFFFAOYSA-N 0 0 404.463 4.170 20 5 HIBDRN COc1ccccc1Nc1ncccc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000553063811 941826945 /nfs/dbraw/zinc/82/69/45/941826945.db2.gz QKIOBYOCNNDQDT-UHFFFAOYSA-N 0 0 406.442 4.057 20 5 HIBDRN CNC(=O)c1ccc(N[C@@H](CCOC)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000553226585 941852650 /nfs/dbraw/zinc/85/26/50/941852650.db2.gz UNIRXKYSKMOTRR-HNNXBMFYSA-N 0 0 412.273 4.451 20 5 HIBDRN C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000553360411 941872612 /nfs/dbraw/zinc/87/26/12/941872612.db2.gz NLZSBONHLGPEMS-CYBMUJFWSA-N 0 0 417.416 4.285 20 5 HIBDRN CC(=O)c1cc(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)ccc1[N+](=O)[O-] ZINC000553383051 941877713 /nfs/dbraw/zinc/87/77/13/941877713.db2.gz BBMNPGRZTFDQNR-OAHLLOKOSA-N 0 0 410.405 4.371 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2cscn2)c2ccccc2)cc1OC ZINC000553424115 941882519 /nfs/dbraw/zinc/88/25/19/941882519.db2.gz NWSCFWPDAQMVTK-UHFFFAOYSA-N 0 0 413.455 4.306 20 5 HIBDRN COc1ccc(CNC(=O)N(Cc2ccccc2Cl)CC2CC2)cc1[N+](=O)[O-] ZINC000553441549 941885396 /nfs/dbraw/zinc/88/53/96/941885396.db2.gz AEWGYHSQMXFYNA-UHFFFAOYSA-N 0 0 403.866 4.379 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000553468383 941890377 /nfs/dbraw/zinc/89/03/77/941890377.db2.gz GKSWPNNLJUDKNA-UHFFFAOYSA-N 0 0 424.432 4.305 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](c1ccccn1)c1ccccc1OC ZINC000553481528 941892816 /nfs/dbraw/zinc/89/28/16/941892816.db2.gz QAGJRJMAZSPSJN-NRFANRHFSA-N 0 0 407.426 4.295 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)c1[N+](=O)[O-] ZINC000553482634 941892877 /nfs/dbraw/zinc/89/28/77/941892877.db2.gz JOMGPTMCSWFYEW-LBPRGKRZSA-N 0 0 403.410 4.186 20 5 HIBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc(F)cc2)n1 ZINC000553538912 941904480 /nfs/dbraw/zinc/90/44/80/941904480.db2.gz DFGWFJUBLWRUNJ-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN Cc1cc2cc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2n(C)c1=O ZINC000553566710 941910964 /nfs/dbraw/zinc/91/09/64/941910964.db2.gz WEOAFPNVNNWQQR-UHFFFAOYSA-N 0 0 405.332 4.026 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CS(=O)(=O)c4ccccc43)o2)c(Cl)c1 ZINC000553581113 941913780 /nfs/dbraw/zinc/91/37/80/941913780.db2.gz MIMNXOYDEOFZBQ-QGZVFWFLSA-N 0 0 418.858 4.126 20 5 HIBDRN COC1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC(c2ccccc2)CC1 ZINC000553663867 941938815 /nfs/dbraw/zinc/93/88/15/941938815.db2.gz GRLJFVLHQZAWOU-UHFFFAOYSA-N 0 0 424.544 4.215 20 5 HIBDRN O=C(Nc1cc2n(n1)CCCC2)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000553692329 941945165 /nfs/dbraw/zinc/94/51/65/941945165.db2.gz GGCPYAXYPYHCRW-UHFFFAOYSA-N 0 0 412.833 4.826 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)c1OC ZINC000553738678 941956268 /nfs/dbraw/zinc/95/62/68/941956268.db2.gz FOJSFBQWLYUEKG-LLVKDONJSA-N 0 0 423.263 4.174 20 5 HIBDRN COc1cc(C(=O)N(C)C[C@@H](C)OC)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000553762644 941961824 /nfs/dbraw/zinc/96/18/24/941961824.db2.gz NOILAIJMKRXRRS-GFCCVEGCSA-N 0 0 408.838 4.156 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1Cc2cccc(Cl)c2C1 ZINC000554033779 942022779 /nfs/dbraw/zinc/02/27/79/942022779.db2.gz QVGHWGCETZISGL-UHFFFAOYSA-N 0 0 400.740 4.345 20 5 HIBDRN CC(C)(NC(=O)CCc1cc(Br)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000554063275 942028134 /nfs/dbraw/zinc/02/81/34/942028134.db2.gz DEEWZRRONXFEFL-UHFFFAOYSA-N 0 0 409.255 4.481 20 5 HIBDRN COc1ccncc1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000554083516 942032983 /nfs/dbraw/zinc/03/29/83/942032983.db2.gz URTMUDUYISWTIA-UHFFFAOYSA-N 0 0 401.488 4.211 20 5 HIBDRN CC(=O)NCC[C@H]1CCCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC000554098255 942035425 /nfs/dbraw/zinc/03/54/25/942035425.db2.gz UUZHYDUMBCSVSO-QGZVFWFLSA-N 0 0 421.563 4.111 20 5 HIBDRN Cc1ccc(-c2nnc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)s2)c(C)c1 ZINC000554704873 942204703 /nfs/dbraw/zinc/20/47/03/942204703.db2.gz QMKIYBRBVOZCSX-UHFFFAOYSA-N 0 0 404.398 4.190 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000554730296 942213585 /nfs/dbraw/zinc/21/35/85/942213585.db2.gz TWJPMQVOFMKYIV-INIZCTEOSA-N 0 0 411.336 4.099 20 5 HIBDRN CN(C(=O)c1ccc(Br)cc1C(F)(F)F)c1ccc([N+](=O)[O-])nc1 ZINC000554747567 942219539 /nfs/dbraw/zinc/21/95/39/942219539.db2.gz OZIUHJIXCJMEBD-UHFFFAOYSA-N 0 0 404.142 4.048 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cc(Cl)ccc1C(F)(F)F ZINC000554764980 942228619 /nfs/dbraw/zinc/22/86/19/942228619.db2.gz JLBFKMPJEXUHRZ-UHFFFAOYSA-N 0 0 416.739 4.219 20 5 HIBDRN CSc1ccc(-c2nc(C3(NC(=O)c4ccccc4)CCC3)no2)cc1[N+](=O)[O-] ZINC000554834086 942271352 /nfs/dbraw/zinc/27/13/52/942271352.db2.gz HFFHIXFTQCOYGT-UHFFFAOYSA-N 0 0 410.455 4.176 20 5 HIBDRN COc1ccc(CSCc2nc(-c3cc(=O)[nH]c4ccccc43)no2)cc1[N+](=O)[O-] ZINC000554845249 942283163 /nfs/dbraw/zinc/28/31/63/942283163.db2.gz YICBKPSCLSCPOL-UHFFFAOYSA-N 0 0 424.438 4.341 20 5 HIBDRN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1cccc(Cl)c1Cl ZINC000554895575 942310564 /nfs/dbraw/zinc/31/05/64/942310564.db2.gz JMOPFFNFNSCQME-UHFFFAOYSA-N 0 0 404.209 4.008 20 5 HIBDRN O=C(Nc1ccc(OC[C@H](O)CCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000554934912 942324637 /nfs/dbraw/zinc/32/46/37/942324637.db2.gz BJDBGMIIVCJUGX-OAQYLSRUSA-N 0 0 406.438 4.220 20 5 HIBDRN CCCN(C(=O)c1cc(OCC)ccc1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000554943840 942327208 /nfs/dbraw/zinc/32/72/08/942327208.db2.gz FCKHAMAKNPBVQJ-INIZCTEOSA-N 0 0 413.474 4.263 20 5 HIBDRN CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000554969170 942337956 /nfs/dbraw/zinc/33/79/56/942337956.db2.gz FRCJOUFRMRIUSO-OAHLLOKOSA-N 0 0 406.442 4.361 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555038696 942366623 /nfs/dbraw/zinc/36/66/23/942366623.db2.gz NBZJMQQUBITTTM-LLVKDONJSA-N 0 0 410.352 4.368 20 5 HIBDRN Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555053731 942371360 /nfs/dbraw/zinc/37/13/60/942371360.db2.gz UAJUSFHVNFTSKX-UHFFFAOYSA-N 0 0 402.454 4.479 20 5 HIBDRN C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 ZINC000555117216 942389579 /nfs/dbraw/zinc/38/95/79/942389579.db2.gz VSDOUOJOOZLGPZ-JTQLQIEISA-N 0 0 405.332 4.358 20 5 HIBDRN Cc1cc(N2CCC(c3nnc4ccccn43)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555120703 942390488 /nfs/dbraw/zinc/39/04/88/942390488.db2.gz VNRKANITUZXETK-UHFFFAOYSA-N 0 0 405.380 4.349 20 5 HIBDRN Cc1ccc(-c2nnc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)o2)c(C)c1 ZINC000555145599 942403631 /nfs/dbraw/zinc/40/36/31/942403631.db2.gz LNKOXFQSKIAYFL-UHFFFAOYSA-N 0 0 407.455 4.997 20 5 HIBDRN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000555154313 942407855 /nfs/dbraw/zinc/40/78/55/942407855.db2.gz YYFCASFZRIIFEE-QGZVFWFLSA-N 0 0 417.849 4.066 20 5 HIBDRN Cc1cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccc2)no1 ZINC000555198877 942428173 /nfs/dbraw/zinc/42/81/73/942428173.db2.gz RSNMCBRTAZCTLK-UHFFFAOYSA-N 0 0 418.457 4.029 20 5 HIBDRN COc1cc(N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c(F)cc1[N+](=O)[O-] ZINC000555206954 942431759 /nfs/dbraw/zinc/43/17/59/942431759.db2.gz DOLYPEGPLDVQFX-MLGOLLRUSA-N 0 0 405.401 4.046 20 5 HIBDRN CCOCCCn1c(-c2ccccc2F)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000555311135 942472088 /nfs/dbraw/zinc/47/20/88/942472088.db2.gz CCWUAZNTDBQRMB-UHFFFAOYSA-N 0 0 413.453 4.055 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Br)c1Cl ZINC000555458103 942559902 /nfs/dbraw/zinc/55/99/02/942559902.db2.gz CAHOOHHOOJUEOF-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000555527614 942628577 /nfs/dbraw/zinc/62/85/77/942628577.db2.gz IWTCOLKCDSTNGL-HXUWFJFHSA-N 0 0 408.420 4.431 20 5 HIBDRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000555528162 942629032 /nfs/dbraw/zinc/62/90/32/942629032.db2.gz MPVHPHUZVFDQLD-AWEZNQCLSA-N 0 0 424.482 4.142 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555575900 942648216 /nfs/dbraw/zinc/64/82/16/942648216.db2.gz IFWPOQHNRBVOKZ-SNVBAGLBSA-N 0 0 403.345 4.465 20 5 HIBDRN CSc1nsc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1 ZINC000555577902 942650211 /nfs/dbraw/zinc/65/02/11/942650211.db2.gz WLWRPNAARMQAGW-UHFFFAOYSA-N 0 0 401.473 4.033 20 5 HIBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000555707977 942707585 /nfs/dbraw/zinc/70/75/85/942707585.db2.gz YREBNNGMPZHOPO-NSHDSACASA-N 0 0 417.409 4.037 20 5 HIBDRN C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555714877 942710337 /nfs/dbraw/zinc/71/03/37/942710337.db2.gz ATBVEHMSBPTLKO-CQSZACIVSA-N 0 0 407.392 4.066 20 5 HIBDRN CC[C@@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000555797811 942737494 /nfs/dbraw/zinc/73/74/94/942737494.db2.gz HPYZLJZVPSSEFW-LJQANCHMSA-N 0 0 415.877 4.007 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1C ZINC000555842428 942749818 /nfs/dbraw/zinc/74/98/18/942749818.db2.gz FWXUYKBXMGLHBB-UHFFFAOYSA-N 0 0 406.236 4.185 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000555854974 942756326 /nfs/dbraw/zinc/75/63/26/942756326.db2.gz KFVIHGHUHBBSSE-KSSFIOAISA-N 0 0 419.275 4.173 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000555854975 942756575 /nfs/dbraw/zinc/75/65/75/942756575.db2.gz KFVIHGHUHBBSSE-RDTXWAMCSA-N 0 0 419.275 4.173 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000555949953 942777818 /nfs/dbraw/zinc/77/78/18/942777818.db2.gz PEJQXOKRGYMLTC-UHFFFAOYSA-N 0 0 417.465 4.339 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CNc3cc(F)cc(Br)c3F)n2)c1 ZINC000556056876 942798371 /nfs/dbraw/zinc/79/83/71/942798371.db2.gz IMVRPPSLKOZUAS-UHFFFAOYSA-N 0 0 411.162 4.298 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000556077922 942802034 /nfs/dbraw/zinc/80/20/34/942802034.db2.gz NXJDYVNIQRAXEA-UHFFFAOYSA-N 0 0 405.410 4.173 20 5 HIBDRN CC(=O)C1(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 ZINC000556249360 942826094 /nfs/dbraw/zinc/82/60/94/942826094.db2.gz OHOOJCMYFNXNCW-UHFFFAOYSA-N 0 0 406.797 4.165 20 5 HIBDRN 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CCn1c2ccccc2nc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000557423919 943117089 /nfs/dbraw/zinc/11/70/89/943117089.db2.gz GRPQFSOVWFYIMN-CHWSQXEVSA-N 0 0 416.865 4.263 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000557455044 943136525 /nfs/dbraw/zinc/13/65/25/943136525.db2.gz ZUVOOMMNLWUDLW-SJORKVTESA-N 0 0 424.423 4.270 20 5 HIBDRN Cn1c(Cc2cccs2)nc2cc(C(=O)NCc3cccc([N+](=O)[O-])c3)ccc21 ZINC000557471958 943150481 /nfs/dbraw/zinc/15/04/81/943150481.db2.gz XLZKVEQVYOYLMY-UHFFFAOYSA-N 0 0 406.467 4.064 20 5 HIBDRN COC(=O)c1cc(C)nc(Sc2nc(C)nc3sc(C)c(C)c32)c1[N+](=O)[O-] ZINC000557474904 943153997 /nfs/dbraw/zinc/15/39/97/943153997.db2.gz YXXUYSGTOATBAE-UHFFFAOYSA-N 0 0 404.473 4.166 20 5 HIBDRN CSc1ccc(C(=O)NCc2c(Cl)cccc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000557532322 943194681 /nfs/dbraw/zinc/19/46/81/943194681.db2.gz XSMJUJMEDQXSFN-UHFFFAOYSA-N 0 0 402.863 4.086 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000557711224 943265910 /nfs/dbraw/zinc/26/59/10/943265910.db2.gz LLMCFXPXJVJBHV-UHFFFAOYSA-N 0 0 419.428 4.259 20 5 HIBDRN CCC1(CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CCOCC1 ZINC000557729782 943272617 /nfs/dbraw/zinc/27/26/17/943272617.db2.gz JCNQNPOQWXMEHR-CALCHBBNSA-N 0 0 403.523 4.014 20 5 HIBDRN COc1ccccc1O[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000557760785 943282972 /nfs/dbraw/zinc/28/29/72/943282972.db2.gz KECHKZMGJRPQPK-CYBMUJFWSA-N 0 0 422.279 4.117 20 5 HIBDRN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H]1c1cccs1 ZINC000557860052 943315313 /nfs/dbraw/zinc/31/53/13/943315313.db2.gz MBZBENKCKHAYBK-CQSZACIVSA-N 0 0 420.434 4.447 20 5 HIBDRN O=C(Nc1cccc2c1CNC2=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000557962012 943340534 /nfs/dbraw/zinc/34/05/34/943340534.db2.gz RNYGMRLVQXEWTE-UHFFFAOYSA-N 0 0 405.435 4.242 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCOC[C@H](C2CCC2)C1 ZINC000558005391 943352741 /nfs/dbraw/zinc/35/27/41/943352741.db2.gz 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O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](OC(F)F)C3)o2)c(Br)c1 ZINC000559098532 943838421 /nfs/dbraw/zinc/83/84/21/943838421.db2.gz XCVWBDDVGPZBMO-LBPRGKRZSA-N 0 0 417.206 4.431 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000559109264 943843059 /nfs/dbraw/zinc/84/30/59/943843059.db2.gz GPWHGVSPBYWUQK-SNVBAGLBSA-N 0 0 419.261 4.219 20 5 HIBDRN CN(Cc1cc(Br)cn1C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559108114 943843192 /nfs/dbraw/zinc/84/31/92/943843192.db2.gz ZNPVCZQUITWLRW-UHFFFAOYSA-N 0 0 406.202 4.347 20 5 HIBDRN C[C@@H]1CC[C@]2(CCN(c3nnc(-c4ccc([N+](=O)[O-])cc4)n3C[C@H]3CCCO3)C2)C1 ZINC000559137086 943851827 /nfs/dbraw/zinc/85/18/27/943851827.db2.gz BGGNVXSLPMKTGT-PERKRYKHSA-N 0 0 411.506 4.049 20 5 HIBDRN C[C@H](CN(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000559141275 943852123 /nfs/dbraw/zinc/85/21/23/943852123.db2.gz LFLOVTUDMSNXOK-UTKZUKDTSA-N 0 0 421.501 4.272 20 5 HIBDRN 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944154027 /nfs/dbraw/zinc/15/40/27/944154027.db2.gz DVOLKFMPBPWTQM-UHFFFAOYSA-N 0 0 400.232 4.491 20 5 HIBDRN Cc1c(CNC(=O)c2cc(Cl)cc(F)c2Br)cccc1[N+](=O)[O-] ZINC000560117093 944165555 /nfs/dbraw/zinc/16/55/55/944165555.db2.gz GWYUOVDDHFOERO-UHFFFAOYSA-N 0 0 401.619 4.388 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(OC2CCOCC2)cc1 ZINC000560126482 944169593 /nfs/dbraw/zinc/16/95/93/944169593.db2.gz NLHDGBWNCYRLAU-UHFFFAOYSA-N 0 0 421.247 4.167 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000560128846 944170302 /nfs/dbraw/zinc/17/03/02/944170302.db2.gz REEYLXKJLQCDET-QGZVFWFLSA-N 0 0 421.247 4.167 20 5 HIBDRN COCC[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000560128979 944170328 /nfs/dbraw/zinc/17/03/28/944170328.db2.gz BKTLNVZCJJVNDP-KRWDZBQOSA-N 0 0 413.257 4.174 20 5 HIBDRN C[C@@H](C(=O)N[C@H](c1cncc(Br)c1)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000560230654 944202488 /nfs/dbraw/zinc/20/24/88/944202488.db2.gz BFNWNMRHPRHVMS-QGHHPUGFSA-N 0 0 422.254 4.262 20 5 HIBDRN Cc1ccc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000560268762 944214483 /nfs/dbraw/zinc/21/44/83/944214483.db2.gz HIKBMHNGCAAOQU-GOSISDBHSA-N 0 0 412.486 4.055 20 5 HIBDRN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000560334113 944227204 /nfs/dbraw/zinc/22/72/04/944227204.db2.gz FNIROAWSSWTLCO-UHFFFAOYSA-N 0 0 422.528 4.307 20 5 HIBDRN Cn1ccnc1[C@H](NCC(C)(C)Oc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000560574533 944260682 /nfs/dbraw/zinc/26/06/82/944260682.db2.gz SEHNDMUZUVJVRS-LJQANCHMSA-N 0 0 416.428 4.143 20 5 HIBDRN Cc1cccc(CCCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 ZINC000560716688 944307327 /nfs/dbraw/zinc/30/73/27/944307327.db2.gz RCJFNCNCHJBMGV-UHFFFAOYSA-N 0 0 405.454 4.240 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000560784170 944329661 /nfs/dbraw/zinc/32/96/61/944329661.db2.gz NKIFBPBPBOEIJL-CABCVRRESA-N 0 0 407.474 4.198 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000560784181 944330113 /nfs/dbraw/zinc/33/01/13/944330113.db2.gz NKIFBPBPBOEIJL-LSDHHAIUSA-N 0 0 407.474 4.198 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000560855407 944359208 /nfs/dbraw/zinc/35/92/08/944359208.db2.gz KQHKJTRBBPGWJE-SNVBAGLBSA-N 0 0 416.787 4.020 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000560991171 944388678 /nfs/dbraw/zinc/38/86/78/944388678.db2.gz AKXARHSTCJRGTM-IBGZPJMESA-N 0 0 410.518 4.103 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)C[C@@H]3CCCOC3)cc2[N+](=O)[O-])n1 ZINC000561098053 944448472 /nfs/dbraw/zinc/44/84/72/944448472.db2.gz PUDIYSGZLGQJQJ-ZDUSSCGKSA-N 0 0 407.517 4.010 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000561135245 944474250 /nfs/dbraw/zinc/47/42/50/944474250.db2.gz CPSDQMLFDMLFJZ-VAMGGRTRSA-N 0 0 402.454 4.189 20 5 HIBDRN CCCCc1nc(-c2cccc(Oc3nc(C)cc(C(=O)OC)c3[N+](=O)[O-])c2)no1 ZINC000561157420 944486521 /nfs/dbraw/zinc/48/65/21/944486521.db2.gz MEMUGCJNJFPHQG-UHFFFAOYSA-N 0 0 412.402 4.270 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Cn1ccnc1 ZINC000561158748 944489363 /nfs/dbraw/zinc/48/93/63/944489363.db2.gz HZHLQGPQWRUTMG-UHFFFAOYSA-N 0 0 410.499 4.270 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@H](C)[S@]1=O ZINC000561202134 944513280 /nfs/dbraw/zinc/51/32/80/944513280.db2.gz RCCSKUIKEBWUHF-UDUGOUHASA-N 0 0 418.540 4.118 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@H](Cc2ccc(C)cc2)c2ccccn2)c1[N+](=O)[O-] ZINC000561228178 944520826 /nfs/dbraw/zinc/52/08/26/944520826.db2.gz NHPMOWAMGGIOTL-LJQANCHMSA-N 0 0 406.442 4.184 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000561262743 944532521 /nfs/dbraw/zinc/53/25/21/944532521.db2.gz LNWMPWCLQORVJG-GOSISDBHSA-N 0 0 407.348 4.265 20 5 HIBDRN C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H](OC1CCOCC1)c1ccccc1 ZINC000561275680 944536562 /nfs/dbraw/zinc/53/65/62/944536562.db2.gz PJOQRZKZKVYESO-UGSOOPFHSA-N 0 0 414.487 4.337 20 5 HIBDRN O=c1[nH]c(N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000561308501 944545587 /nfs/dbraw/zinc/54/55/87/944545587.db2.gz TYBSNKQJCSTRJZ-PHIMTYICSA-N 0 0 405.241 4.909 20 5 HIBDRN COc1ccccc1C1(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000561316147 944547967 /nfs/dbraw/zinc/54/79/67/944547967.db2.gz ZTNIUQBXRHZYRM-NRFANRHFSA-N 0 0 406.486 4.138 20 5 HIBDRN O=C(N1CCc2c(cccc2[N+](=O)[O-])C1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000561315214 944548192 /nfs/dbraw/zinc/54/81/92/944548192.db2.gz PALPPHKOHCWADU-UHFFFAOYSA-N 0 0 419.250 4.113 20 5 HIBDRN Cc1n[nH]cc1C1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000561320329 944550413 /nfs/dbraw/zinc/55/04/13/944550413.db2.gz LBMKQQXORZQFJB-UHFFFAOYSA-N 0 0 422.435 4.011 20 5 HIBDRN CN(Cc1nc(-c2cccs2)no1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000561340826 944557147 /nfs/dbraw/zinc/55/71/47/944557147.db2.gz XSRZXJRIPSVGSH-UHFFFAOYSA-N 0 0 423.454 4.317 20 5 HIBDRN CC(C)[C@]1(CO)CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000561631802 944717778 /nfs/dbraw/zinc/71/77/78/944717778.db2.gz OQPUNBOUXFSNNN-HSZRJFAPSA-N 0 0 411.502 4.078 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c(C)c([N+](=O)[O-])c1 ZINC000561680710 944744239 /nfs/dbraw/zinc/74/42/39/944744239.db2.gz VRYALNFHICPJRQ-LSDHHAIUSA-N 0 0 422.359 4.451 20 5 HIBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000561680585 944744743 /nfs/dbraw/zinc/74/47/43/944744743.db2.gz SVHWCHFDECYUBN-IBGZPJMESA-N 0 0 414.437 4.477 20 5 HIBDRN CCOc1ccc(-c2noc(CCC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000561690256 944748280 /nfs/dbraw/zinc/74/82/80/944748280.db2.gz IGIAAIFFHLZGJG-UHFFFAOYSA-N 0 0 424.457 4.028 20 5 HIBDRN CC(C)(NC(=O)CCSc1ccc2c(c1)OCCCO2)c1ccccc1[N+](=O)[O-] ZINC000561693351 944749038 /nfs/dbraw/zinc/74/90/38/944749038.db2.gz FDPIZOWDXXBUMU-UHFFFAOYSA-N 0 0 416.499 4.290 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1OC ZINC000561710793 944757686 /nfs/dbraw/zinc/75/76/86/944757686.db2.gz SAEXQHVJCHMJLV-CHWSQXEVSA-N 0 0 422.865 4.219 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000561760727 944783178 /nfs/dbraw/zinc/78/31/78/944783178.db2.gz QSQWHMQWKFQSKX-QGZVFWFLSA-N 0 0 420.803 4.309 20 5 HIBDRN Cc1c(CC(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)cccc1[N+](=O)[O-] ZINC000561829946 944814705 /nfs/dbraw/zinc/81/47/05/944814705.db2.gz LOWXYHAFDCGQJR-UHFFFAOYSA-N 0 0 406.467 4.171 20 5 HIBDRN CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000561943706 944868952 /nfs/dbraw/zinc/86/89/52/944868952.db2.gz DRPCYIZZLGZJHY-LJQANCHMSA-N 0 0 416.909 4.016 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000561976061 944883109 /nfs/dbraw/zinc/88/31/09/944883109.db2.gz KWVZEFRRVAIFSJ-CYBMUJFWSA-N 0 0 411.355 4.152 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000562007879 944892083 /nfs/dbraw/zinc/89/20/83/944892083.db2.gz FCKKOJHLZOBUNO-QGZVFWFLSA-N 0 0 415.298 4.472 20 5 HIBDRN O=[N+]([O-])c1cc(I)cc(CNc2cccc3ccncc32)c1 ZINC000562070821 944921598 /nfs/dbraw/zinc/92/15/98/944921598.db2.gz QMLUPNCGESVPGF-UHFFFAOYSA-N 0 0 405.195 4.360 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000562113419 944947177 /nfs/dbraw/zinc/94/71/77/944947177.db2.gz CKJCJVZILAFEPB-CYBMUJFWSA-N 0 0 415.780 4.095 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000562144147 944973214 /nfs/dbraw/zinc/97/32/14/944973214.db2.gz HAEJCMXIWSPGOQ-UHFFFAOYSA-N 0 0 421.400 4.190 20 5 HIBDRN Cc1ccc(C(=O)N2CCC(Nc3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)cc1 ZINC000562229969 945033693 /nfs/dbraw/zinc/03/36/93/945033693.db2.gz JZCJIYIGCKOBBC-UHFFFAOYSA-N 0 0 404.470 4.477 20 5 HIBDRN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000564123666 945388559 /nfs/dbraw/zinc/38/85/59/945388559.db2.gz KECVEXMOLXVYRS-BTDLBPIBSA-N 0 0 412.389 4.344 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccnc1C(F)(F)F ZINC000564241797 945458803 /nfs/dbraw/zinc/45/88/03/945458803.db2.gz VUCJGNANVNAHEP-UHFFFAOYSA-N 0 0 422.285 4.468 20 5 HIBDRN O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000564254108 945472452 /nfs/dbraw/zinc/47/24/52/945472452.db2.gz WUCBCJUPQCXGHC-BBRMVZONSA-N 0 0 416.302 4.152 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)Cc3cncc4ccccc43)n2)c1 ZINC000564275252 945488742 /nfs/dbraw/zinc/48/87/42/945488742.db2.gz YOKPCYYUSSJYAL-CQSZACIVSA-N 0 0 404.426 4.472 20 5 HIBDRN Cc1ccc2[nH]c([C@@H]3CCCN3Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)nc2c1 ZINC000564294169 945504112 /nfs/dbraw/zinc/50/41/12/945504112.db2.gz QJVFDNLNNYMGJO-SFHVURJKSA-N 0 0 404.430 4.167 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1nccn1-c1ccccc1 ZINC000564365624 945531313 /nfs/dbraw/zinc/53/13/13/945531313.db2.gz 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ZINC000571023112 947443619 /nfs/dbraw/zinc/44/36/19/947443619.db2.gz NZVCBGYVRWZAEW-NSHDSACASA-N 0 0 410.257 4.102 20 5 HIBDRN C[C@H](Cn1ncc2ccccc21)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000571068179 947466659 /nfs/dbraw/zinc/46/66/59/947466659.db2.gz BQYJZOCDGBXTCO-CQSZACIVSA-N 0 0 421.482 4.367 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H]2c3ccccc3CC23CCOCC3)cc1[N+](=O)[O-] ZINC000571100900 947498451 /nfs/dbraw/zinc/49/84/51/947498451.db2.gz IZAKSFZNVRUUFK-KKSFZXQISA-N 0 0 409.486 4.358 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CCCSC3)cc2[N+](=O)[O-])n1 ZINC000571237918 947559898 /nfs/dbraw/zinc/55/98/98/947559898.db2.gz LGCHCFCYOPSQPT-LBPRGKRZSA-N 0 0 409.558 4.384 20 5 HIBDRN CCc1nc2ccccc2n1C1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000571428832 947643188 /nfs/dbraw/zinc/64/31/88/947643188.db2.gz WGAQMYDDQAAIDS-UHFFFAOYSA-N 0 0 421.501 4.091 20 5 HIBDRN CCc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000571682601 947745396 /nfs/dbraw/zinc/74/53/96/947745396.db2.gz VPZSFKRCSPTEEN-GOSISDBHSA-N 0 0 424.375 4.270 20 5 HIBDRN C[C@@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncc(-c2ccccc2)o1 ZINC000571797729 947788132 /nfs/dbraw/zinc/78/81/32/947788132.db2.gz ICUYINOCSCLVTC-CQSZACIVSA-N 0 0 419.441 4.334 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H](c2ccccc2)C(F)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000571830222 947797605 /nfs/dbraw/zinc/79/76/05/947797605.db2.gz WFCNLQPOMPFPLF-OAHLLOKOSA-N 0 0 411.336 4.115 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000571943825 947817862 /nfs/dbraw/zinc/81/78/62/947817862.db2.gz UZNBCIXZTCWPEN-UHFFFAOYSA-N 0 0 416.833 4.095 20 5 HIBDRN O=C(NCc1ccccc1OC(F)(F)F)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000571961560 947823397 /nfs/dbraw/zinc/82/33/97/947823397.db2.gz ZSTYTSCFHHRCQQ-UHFFFAOYSA-N 0 0 408.254 4.442 20 5 HIBDRN CC(C)(C(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1ccccc1[N+](=O)[O-] ZINC000572011752 947829004 /nfs/dbraw/zinc/82/90/04/947829004.db2.gz RGMQBODVMRHDMH-UHFFFAOYSA-N 0 0 424.526 4.267 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCCc3ccc(F)cc3F)cc2[N+](=O)[O-])C1 ZINC000572027399 947830617 /nfs/dbraw/zinc/83/06/17/947830617.db2.gz HVEKNSSTYVVVDW-AWEZNQCLSA-N 0 0 403.429 4.082 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1csc(-c2ccccc2)n1 ZINC000572056531 947835398 /nfs/dbraw/zinc/83/53/98/947835398.db2.gz ZTTYAEMKVLRXBY-UHFFFAOYSA-N 0 0 410.499 4.163 20 5 HIBDRN COc1ccc(-c2cnc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2C)cc1 ZINC000572127581 947847103 /nfs/dbraw/zinc/84/71/03/947847103.db2.gz KHRWJQKNRJLLHB-UHFFFAOYSA-N 0 0 420.347 4.275 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000572209254 947864917 /nfs/dbraw/zinc/86/49/17/947864917.db2.gz SUSCKEQABJJSKN-UHFFFAOYSA-N 0 0 408.911 4.222 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000572312130 947881121 /nfs/dbraw/zinc/88/11/21/947881121.db2.gz ZOJBWNLVVBLEGR-INIZCTEOSA-N 0 0 417.531 4.216 20 5 HIBDRN CN(C)c1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c(C(F)(F)F)c1 ZINC000572317768 947882438 /nfs/dbraw/zinc/88/24/38/947882438.db2.gz LHYZTSABNFAJMG-UHFFFAOYSA-N 0 0 403.307 4.139 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000572349578 947888268 /nfs/dbraw/zinc/88/82/68/947888268.db2.gz HFSHAYALGUXNJC-LBPRGKRZSA-N 0 0 416.421 4.176 20 5 HIBDRN Cc1cc(C)n(-c2cccc(NC(=O)NCCc3c[nH]c4ccc([N+](=O)[O-])cc34)c2)n1 ZINC000572441098 947905655 /nfs/dbraw/zinc/90/56/55/947905655.db2.gz YIBQIGGJLCYBNX-UHFFFAOYSA-N 0 0 418.457 4.243 20 5 HIBDRN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000572490203 947914751 /nfs/dbraw/zinc/91/47/51/947914751.db2.gz WVEVJKKBTNADJG-LBPRGKRZSA-N 0 0 402.394 4.136 20 5 HIBDRN COc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)ccc1N1CCCC1=O ZINC000572887698 948030243 /nfs/dbraw/zinc/03/02/43/948030243.db2.gz YEFFAFYZEXTKGO-UHFFFAOYSA-N 0 0 423.347 4.001 20 5 HIBDRN COc1ccc([C@@H](Cc2ccccc2)NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000572898322 948033401 /nfs/dbraw/zinc/03/34/01/948033401.db2.gz UDVXNORIHPCGNI-HXUWFJFHSA-N 0 0 406.438 4.082 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2C)cc1SC ZINC000572912021 948037239 /nfs/dbraw/zinc/03/72/39/948037239.db2.gz IJKYDCIWRBZLRY-LBPRGKRZSA-N 0 0 420.487 4.142 20 5 HIBDRN COc1cc(-c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)ccc1OC[C@@H]1CCCO1 ZINC000573051398 948071619 /nfs/dbraw/zinc/07/16/19/948071619.db2.gz JTSDOZAOKZPVSX-HKMNZKMDSA-N 0 0 423.425 4.382 20 5 HIBDRN Cc1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCCCC1 ZINC000573626911 948255686 /nfs/dbraw/zinc/25/56/86/948255686.db2.gz BWSZIELFLFLTRS-UHFFFAOYSA-N 0 0 424.501 4.236 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)c1 ZINC000573643567 948263717 /nfs/dbraw/zinc/26/37/17/948263717.db2.gz DKHUIYUEDYTNMX-UHFFFAOYSA-N 0 0 411.414 4.268 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1F 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420.347 4.207 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC000574442284 948444294 /nfs/dbraw/zinc/44/42/94/948444294.db2.gz BEICWVZYFRIXIC-UHFFFAOYSA-N 0 0 424.501 4.423 20 5 HIBDRN CNc1ccc(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)cc1[N+](=O)[O-] ZINC000574461027 948448977 /nfs/dbraw/zinc/44/89/77/948448977.db2.gz CVUVXEQPOPRMSY-UHFFFAOYSA-N 0 0 400.341 4.354 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC2(C1)Oc1ccccc1O2 ZINC000574484345 948455495 /nfs/dbraw/zinc/45/54/95/948455495.db2.gz INFQOHCSADCMGE-UHFFFAOYSA-N 0 0 418.405 4.401 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CCc2sc(Cl)cc21 ZINC000574564256 948478122 /nfs/dbraw/zinc/47/81/22/948478122.db2.gz ZWLQPEAMKORYAW-LBPRGKRZSA-N 0 0 403.847 4.040 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)c1[N+](=O)[O-] ZINC000574706517 948507419 /nfs/dbraw/zinc/50/74/19/948507419.db2.gz OBWPGOOQZJIIQX-UHFFFAOYSA-N 0 0 405.867 4.142 20 5 HIBDRN COC[C@H](NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000574721827 948511992 /nfs/dbraw/zinc/51/19/92/948511992.db2.gz NOXDTPCYSFUTFO-AWEZNQCLSA-N 0 0 416.808 4.336 20 5 HIBDRN COc1cc(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)cc([N+](=O)[O-])c1C ZINC000574793078 948527777 /nfs/dbraw/zinc/52/77/77/948527777.db2.gz BQAWFASUYRKBFE-UHFFFAOYSA-N 0 0 415.356 4.297 20 5 HIBDRN C[C@@H]1CCCC[C@H]1c1noc(-c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)n1 ZINC000575101588 948594781 /nfs/dbraw/zinc/59/47/81/948594781.db2.gz SKZSBQSGUGBLCC-DGCLKSJQSA-N 0 0 400.464 4.218 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cnc(-c2ccccn2)s1 ZINC000575144375 948604801 /nfs/dbraw/zinc/60/48/01/948604801.db2.gz WVHANQDLUZOHEZ-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN COCCC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000575224830 948636785 /nfs/dbraw/zinc/63/67/85/948636785.db2.gz SODSKVPSAJPNAE-UHFFFAOYSA-N 0 0 417.893 4.359 20 5 HIBDRN O=C(CCSCc1cc2c(cc1Cl)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000575356113 948653729 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415.424 4.421 20 5 HIBDRN CC(=O)Nc1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)ccc1F ZINC000435941920 861206913 /nfs/dbraw/zinc/20/69/13/861206913.db2.gz MLVMVQSJSPGFNK-UHFFFAOYSA-N 0 0 407.376 4.170 20 5 HIBDRN COc1cccc(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)c1[N+](=O)[O-] ZINC000435966627 861228048 /nfs/dbraw/zinc/22/80/48/861228048.db2.gz KYSBTRCOTWCXDT-UHFFFAOYSA-N 0 0 417.259 4.448 20 5 HIBDRN COc1cccc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c1[N+](=O)[O-] ZINC000435970462 861232140 /nfs/dbraw/zinc/23/21/40/861232140.db2.gz MDRHFUZKACIYFV-CQSZACIVSA-N 0 0 410.455 4.175 20 5 HIBDRN C[C@H]1CCCC[C@H]1OCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435977833 861244680 /nfs/dbraw/zinc/24/46/80/861244680.db2.gz HBVPMQAVZGECAN-RNODOKPDSA-N 0 0 414.452 4.285 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000435980093 861247435 /nfs/dbraw/zinc/24/74/35/861247435.db2.gz BYVRGJCPCRKKEM-HDJSIYSDSA-N 0 0 407.239 4.101 20 5 HIBDRN COc1cc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1F ZINC000435992335 861270017 /nfs/dbraw/zinc/27/00/17/861270017.db2.gz KHBLHFWDNFDNCS-SECBINFHSA-N 0 0 401.316 4.200 20 5 HIBDRN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435994533 861276422 /nfs/dbraw/zinc/27/64/22/861276422.db2.gz LVQNSXPGAHUEHP-NRFANRHFSA-N 0 0 400.482 4.265 20 5 HIBDRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000436014648 861305748 /nfs/dbraw/zinc/30/57/48/861305748.db2.gz KHHTZQVDXJCYGZ-AWEZNQCLSA-N 0 0 421.291 4.459 20 5 HIBDRN COc1cccc(C(=O)N2CCN(Cc3ccccc3)c3ccccc32)c1[N+](=O)[O-] ZINC000436029902 861321368 /nfs/dbraw/zinc/32/13/68/861321368.db2.gz HAFVCVOHZIWHRU-UHFFFAOYSA-N 0 0 403.438 4.270 20 5 HIBDRN COc1cccc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1[N+](=O)[O-] ZINC000436055007 861341311 /nfs/dbraw/zinc/34/13/11/861341311.db2.gz WSQUPWAYWXPRGW-SFHVURJKSA-N 0 0 411.845 4.366 20 5 HIBDRN CN(CCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1F ZINC000436066542 861347562 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20 5 HIBDRN O=[N+]([O-])c1cc(C[S@@](=O)Cc2nc(C3CCCCC3)cs2)c2c(c1)COCO2 ZINC000436088513 861368300 /nfs/dbraw/zinc/36/83/00/861368300.db2.gz LPCRONKDRBGADC-MUUNZHRXSA-N 0 0 422.528 4.414 20 5 HIBDRN CCOCc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 ZINC000436092727 861374208 /nfs/dbraw/zinc/37/42/08/861374208.db2.gz YDWAWFPRXIGVDM-UHFFFAOYSA-N 0 0 422.431 4.426 20 5 HIBDRN COc1cc(CN(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc(OC)c1 ZINC000436094103 861375510 /nfs/dbraw/zinc/37/55/10/861375510.db2.gz QZHQNBAGDWVMSQ-UHFFFAOYSA-N 0 0 420.440 4.110 20 5 HIBDRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436110425 861395041 /nfs/dbraw/zinc/39/50/41/861395041.db2.gz CMGOWSWONFIBKJ-OAHLLOKOSA-N 0 0 414.461 4.161 20 5 HIBDRN COCCOc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000436115752 861400836 /nfs/dbraw/zinc/40/08/36/861400836.db2.gz QNWQWLGMHJXFTK-UHFFFAOYSA-N 0 0 424.403 4.237 20 5 HIBDRN O=C(N[C@H]1CCOc2c(F)cccc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 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ZINC000011454262 845798536 /nfs/dbraw/zinc/79/85/36/845798536.db2.gz ZUIZJWJWBJPPAW-UHFFFAOYSA-N 0 0 419.463 4.084 20 5 HIBDRN COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c1 ZINC000011478877 845801622 /nfs/dbraw/zinc/80/16/22/845801622.db2.gz BJTLFSJMJREWGU-OAQYLSRUSA-N 0 0 420.421 4.449 20 5 HIBDRN C[C@H](Sc1n[nH]c(Cc2cccs2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000011602193 845816968 /nfs/dbraw/zinc/81/69/68/845816968.db2.gz JANBJMXJEBAOAU-JTQLQIEISA-N 0 0 414.472 4.269 20 5 HIBDRN C[C@H](Sc1n[nH]c(Cc2cccs2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000011600663 845817103 /nfs/dbraw/zinc/81/71/03/845817103.db2.gz YLKGTXDWSQOUSL-VIFPVBQESA-N 0 0 423.907 4.138 20 5 HIBDRN Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000011643558 845819563 /nfs/dbraw/zinc/81/95/63/845819563.db2.gz SEFRHJOEBXMMRQ-HNNXBMFYSA-N 0 0 423.425 4.061 20 5 HIBDRN O=C(Nc1ccc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1)c1cccnc1 ZINC000436305495 861610062 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ZINC000014851935 845986512 /nfs/dbraw/zinc/98/65/12/845986512.db2.gz QOPGXDCBNOZHHU-GOSISDBHSA-N 0 0 402.834 4.159 20 5 HIBDRN CCc1ccccc1NC(=O)CN(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000015171719 846015364 /nfs/dbraw/zinc/01/53/64/846015364.db2.gz CKKHFMTVIRTUNV-UHFFFAOYSA-N 0 0 417.465 4.463 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000015207647 846018243 /nfs/dbraw/zinc/01/82/43/846018243.db2.gz ZZWNNOHUCLBPHX-UHFFFAOYSA-N 0 0 418.393 4.436 20 5 HIBDRN Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)NC1=S ZINC000015282516 846028095 /nfs/dbraw/zinc/02/80/95/846028095.db2.gz PYLYIGOZZYFWAK-SFQUDFHCSA-N 0 0 405.435 4.425 20 5 HIBDRN O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015382263 846042943 /nfs/dbraw/zinc/04/29/43/846042943.db2.gz GEDNICRTQJEYNS-UHFFFAOYSA-N 0 0 417.465 4.136 20 5 HIBDRN O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015382176 846043514 /nfs/dbraw/zinc/04/35/14/846043514.db2.gz 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CCc1cccc(CC)c1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000015961002 846104965 /nfs/dbraw/zinc/10/49/65/846104965.db2.gz VQLWOMRFBVKQGO-UHFFFAOYSA-N 0 0 411.487 4.252 20 5 HIBDRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000015990306 846108387 /nfs/dbraw/zinc/10/83/87/846108387.db2.gz QANQTDRKGIJMJN-UHFFFAOYSA-N 0 0 424.284 4.010 20 5 HIBDRN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000016002502 846109964 /nfs/dbraw/zinc/10/99/64/846109964.db2.gz SUUIGPYKNHGCCO-OAQYLSRUSA-N 0 0 424.478 4.461 20 5 HIBDRN Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000016136065 846128414 /nfs/dbraw/zinc/12/84/14/846128414.db2.gz DLZNTACSIPHHPU-KRWDZBQOSA-N 0 0 404.850 4.369 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(-c2ccccc2)nc1C ZINC000016166296 846132355 /nfs/dbraw/zinc/13/23/55/846132355.db2.gz GIDUQQFGHGBACS-UHFFFAOYSA-N 0 0 405.410 4.069 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2cccc(Br)c2)c1 ZINC000016196112 846137099 /nfs/dbraw/zinc/13/70/99/846137099.db2.gz GEMSUTCLXHWLBP-UHFFFAOYSA-N 0 0 410.245 4.119 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2SC)c1 ZINC000016196627 846137470 /nfs/dbraw/zinc/13/74/70/846137470.db2.gz JKGKCWODIFMVKW-NSHDSACASA-N 0 0 406.485 4.223 20 5 HIBDRN CCOc1ccc(CCNC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1OCC ZINC000016226167 846139102 /nfs/dbraw/zinc/13/91/02/846139102.db2.gz WQVRAAIBWFWKMD-UHFFFAOYSA-N 0 0 404.488 4.087 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NC(c1ccccc1)c1ccccc1 ZINC000016483779 846177318 /nfs/dbraw/zinc/17/73/18/846177318.db2.gz ZEFAZEPODFFWIX-INIZCTEOSA-N 0 0 405.454 4.310 20 5 HIBDRN O=C(COC(=O)c1occc1-c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000016537404 846181022 /nfs/dbraw/zinc/18/10/22/846181022.db2.gz GPZHMYNSRZOQAC-UHFFFAOYSA-N 0 0 400.774 4.304 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000016637453 846193421 /nfs/dbraw/zinc/19/34/21/846193421.db2.gz FHXQWRZQACJWQQ-UHFFFAOYSA-N 0 0 414.531 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CCOc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000017048758 846228819 /nfs/dbraw/zinc/22/88/19/846228819.db2.gz DXXLPHRGVLTOBC-KBPBESRZSA-N 0 0 418.471 4.045 20 5 HIBDRN O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000017225749 846237484 /nfs/dbraw/zinc/23/74/84/846237484.db2.gz FPDXGGIQARTCPV-UHFFFAOYSA-N 0 0 424.456 4.394 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CSc1cc(C(=O)NC2CC2)c2ccccc2n1 ZINC000017275518 846239303 /nfs/dbraw/zinc/23/93/03/846239303.db2.gz AXJJUZVLPFOVAE-UHFFFAOYSA-N 0 0 409.467 4.336 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N=c3[nH]c4ccccc4[nH]3)cc2[N+](=O)[O-])n1 ZINC000017303690 846242745 /nfs/dbraw/zinc/24/27/45/846242745.db2.gz LAJFGZGEUMHVCH-UHFFFAOYSA-N 0 0 411.468 4.061 20 5 HIBDRN Cc1cc(OCC(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1Cl ZINC000017542303 846258545 /nfs/dbraw/zinc/25/85/45/846258545.db2.gz WALPDCPSVQEAQF-LBPRGKRZSA-N 0 0 417.805 4.290 20 5 HIBDRN C[C@@H](OC(=O)CCc1ccc2ccccc2n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017890364 846274834 /nfs/dbraw/zinc/27/48/34/846274834.db2.gz YMKCUDOBGUANHU-CQSZACIVSA-N 0 0 418.409 4.430 20 5 HIBDRN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000018007394 846283840 /nfs/dbraw/zinc/28/38/40/846283840.db2.gz AFSNLORJSMMIMW-UHFFFAOYSA-N 0 0 422.416 4.188 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(C(C)C)nc2ccccc21 ZINC000018024064 846286446 /nfs/dbraw/zinc/28/64/46/846286446.db2.gz WFSFQNCPERYLBV-UHFFFAOYSA-N 0 0 407.426 4.370 20 5 HIBDRN Cc1cc(C)c(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(Cl)c1 ZINC000018083548 846293046 /nfs/dbraw/zinc/29/30/46/846293046.db2.gz MMRFOUFRZYGRLX-UHFFFAOYSA-N 0 0 403.822 4.192 20 5 HIBDRN COc1cccc(CCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000436347866 861663323 /nfs/dbraw/zinc/66/33/23/861663323.db2.gz UJHIYJXGWJSEFT-UHFFFAOYSA-N 0 0 422.431 4.331 20 5 HIBDRN CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000018438109 846326138 /nfs/dbraw/zinc/32/61/38/846326138.db2.gz RSMPWAWBZMSPLW-CQSZACIVSA-N 0 0 402.472 4.381 20 5 HIBDRN CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000018706308 846338308 /nfs/dbraw/zinc/33/83/08/846338308.db2.gz MYIAOEOLHQSWEO-UHFFFAOYSA-N 0 0 424.482 4.039 20 5 HIBDRN C[C@@H](OC(=O)/C=C/Sc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000018803702 846342951 /nfs/dbraw/zinc/34/29/51/846342951.db2.gz MJWZYJRNPMMPLA-BZYZDCJZSA-N 0 0 406.847 4.424 20 5 HIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000018799515 846343132 /nfs/dbraw/zinc/34/31/32/846343132.db2.gz CQHPGWVMLWKWNX-MRVPVSSYSA-N 0 0 401.177 4.225 20 5 HIBDRN COc1ccc(-c2nc(CC(=O)Nc3cccc([N+](=O)[O-])c3C)cs2)cc1OC ZINC000019164874 846354783 /nfs/dbraw/zinc/35/47/83/846354783.db2.gz SVMDCQSPPQMEMC-UHFFFAOYSA-N 0 0 413.455 4.225 20 5 HIBDRN COc1ccc(-c2nc(CC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cs2)cc1OC ZINC000019163518 846354813 /nfs/dbraw/zinc/35/48/13/846354813.db2.gz DKZJFMSSAFVFAP-UHFFFAOYSA-N 0 0 417.418 4.056 20 5 HIBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1csc(-c2cccs2)n1 ZINC000019261695 846360923 /nfs/dbraw/zinc/36/09/23/846360923.db2.gz MEMVUGOPHZGFBG-UHFFFAOYSA-N 0 0 414.424 4.187 20 5 HIBDRN CCOc1cc(C(=O)OCC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC ZINC000019473064 846365429 /nfs/dbraw/zinc/36/54/29/846365429.db2.gz GWKXZJHSLBRCPK-UHFFFAOYSA-N 0 0 409.394 4.195 20 5 HIBDRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1csc(-c2ccc(F)cc2)n1 ZINC000019617092 846368878 /nfs/dbraw/zinc/36/88/78/846368878.db2.gz XEAKDLANHWSWCD-UHFFFAOYSA-N 0 0 416.386 4.081 20 5 HIBDRN COc1ccc(CCNc2nnc(Sc3ccccc3[N+](=O)[O-])s2)cc1OC ZINC000020667709 846386670 /nfs/dbraw/zinc/38/66/70/846386670.db2.gz FEVNREMLGVOXRB-UHFFFAOYSA-N 0 0 418.500 4.269 20 5 HIBDRN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020857058 846392643 /nfs/dbraw/zinc/39/26/43/846392643.db2.gz WHDDUYFUZXJOSS-ZDUSSCGKSA-N 0 0 409.471 4.172 20 5 HIBDRN O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000021121486 846406155 /nfs/dbraw/zinc/40/61/55/846406155.db2.gz LHXBRELUOJAZDF-UHFFFAOYSA-N 0 0 419.153 4.186 20 5 HIBDRN Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1C ZINC000021125578 846406223 /nfs/dbraw/zinc/40/62/23/846406223.db2.gz CDSRNEGUXBQEAM-SNVBAGLBSA-N 0 0 421.866 4.064 20 5 HIBDRN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccccc1SC(F)F ZINC000021324658 846429264 /nfs/dbraw/zinc/42/92/64/846429264.db2.gz REXYZXQYCQQWKZ-UHFFFAOYSA-N 0 0 416.789 4.358 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)O[C@H](C(N)=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000021436939 846442537 /nfs/dbraw/zinc/44/25/37/846442537.db2.gz CVSHJWOWQPUNDT-FQEVSTJZSA-N 0 0 422.462 4.438 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000021458083 846447454 /nfs/dbraw/zinc/44/74/54/846447454.db2.gz YPFWGFLDGKBUCA-VIFPVBQESA-N 0 0 416.739 4.451 20 5 HIBDRN O=C(OCc1nc(-c2cccnc2)no1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000021488974 846453037 /nfs/dbraw/zinc/45/30/37/846453037.db2.gz QJYZMJKFYJINJB-UHFFFAOYSA-N 0 0 417.381 4.140 20 5 HIBDRN Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1F ZINC000021598116 846468092 /nfs/dbraw/zinc/46/80/92/846468092.db2.gz YTDCMDBPHUDIES-UHFFFAOYSA-N 0 0 411.355 4.024 20 5 HIBDRN CCOc1ccc(NC(=O)CSc2nccn2-c2ccccc2C)c([N+](=O)[O-])c1 ZINC000021594555 846468446 /nfs/dbraw/zinc/46/84/46/846468446.db2.gz CQWNMRWMDUQERW-UHFFFAOYSA-N 0 0 412.471 4.218 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000021630020 846474978 /nfs/dbraw/zinc/47/49/78/846474978.db2.gz GSDNBJVQVVKNOZ-LLVKDONJSA-N 0 0 409.236 4.080 20 5 HIBDRN C[C@@H](OC(=O)Cc1c(Cl)cccc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021678672 846481577 /nfs/dbraw/zinc/48/15/77/846481577.db2.gz GGEXHEPTAKZKQL-SECBINFHSA-N 0 0 415.204 4.154 20 5 HIBDRN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021743627 846490866 /nfs/dbraw/zinc/49/08/66/846490866.db2.gz QRHFTCIPGRGDOK-AWEZNQCLSA-N 0 0 423.498 4.231 20 5 HIBDRN O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c1 ZINC000021975465 846516252 /nfs/dbraw/zinc/51/62/52/846516252.db2.gz UZEMFRARYZMNRH-SFHVURJKSA-N 0 0 414.462 4.464 20 5 HIBDRN C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)c1cccc([N+](=O)[O-])c1 ZINC000022043519 846524532 /nfs/dbraw/zinc/52/45/32/846524532.db2.gz JKCYCIGBXCQLAB-SNVBAGLBSA-N 0 0 407.402 4.022 20 5 HIBDRN CC[C@H](NC(=O)COC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000022161034 846539029 /nfs/dbraw/zinc/53/90/29/846539029.db2.gz YZMUIFUKONVOPG-HNNXBMFYSA-N 0 0 422.890 4.394 20 5 HIBDRN C[C@@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000022171780 846540922 /nfs/dbraw/zinc/54/09/22/846540922.db2.gz QEGKHAXJNBWMTR-SNVBAGLBSA-N 0 0 419.463 4.448 20 5 HIBDRN Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000022184963 846541594 /nfs/dbraw/zinc/54/15/94/846541594.db2.gz HGNKGJMVFMFLGI-AWEZNQCLSA-N 0 0 409.398 4.051 20 5 HIBDRN Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000022184000 846541656 /nfs/dbraw/zinc/54/16/56/846541656.db2.gz DREJOSYMVXKKEK-LBPRGKRZSA-N 0 0 421.247 4.158 20 5 HIBDRN CSc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000022243454 846549263 /nfs/dbraw/zinc/54/92/63/846549263.db2.gz XEYUSPVZBHSAIW-LBPRGKRZSA-N 0 0 415.471 4.075 20 5 HIBDRN CNc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000022273168 846551856 /nfs/dbraw/zinc/55/18/56/846551856.db2.gz YIHNQOZQAOHBIQ-CABCVRRESA-N 0 0 421.453 4.212 20 5 HIBDRN Cc1ccc(OCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000436360542 861692105 /nfs/dbraw/zinc/69/21/05/861692105.db2.gz IQZCCBFLHKYTQS-UHFFFAOYSA-N 0 0 404.441 4.328 20 5 HIBDRN CCNc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000022486474 846577039 /nfs/dbraw/zinc/57/70/39/846577039.db2.gz SVRNTPAMLPGLSU-GFCCVEGCSA-N 0 0 405.838 4.172 20 5 HIBDRN CCNc1ccc(C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000022486685 846577522 /nfs/dbraw/zinc/57/75/22/846577522.db2.gz JEOJDVMPDOOBJN-INIZCTEOSA-N 0 0 413.474 4.009 20 5 HIBDRN CSc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000022487215 846578254 /nfs/dbraw/zinc/57/82/54/846578254.db2.gz RPBSFWHKVADOTC-UHFFFAOYSA-N 0 0 414.405 4.326 20 5 HIBDRN CC[C@@H](NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000022547263 846584328 /nfs/dbraw/zinc/58/43/28/846584328.db2.gz ULQXUSJBTCUQTN-OAHLLOKOSA-N 0 0 411.241 4.326 20 5 HIBDRN CC[C@@H](NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000022550519 846585901 /nfs/dbraw/zinc/58/59/01/846585901.db2.gz FAMHPQGECGJHMG-OPGJMIRHSA-N 0 0 402.834 4.072 20 5 HIBDRN CC(=O)c1ccc(-c2ccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)o2)cc1 ZINC000022622600 846596123 /nfs/dbraw/zinc/59/61/23/846596123.db2.gz ZZUMLRSBOSAIQF-UHFFFAOYSA-N 0 0 423.377 4.281 20 5 HIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000022669516 846600001 /nfs/dbraw/zinc/60/00/01/846600001.db2.gz SPXHFGIKVMRVOP-XHDPSFHLSA-N 0 0 408.863 4.219 20 5 HIBDRN C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1c2ccccc2CC[C@H]1C ZINC000022795283 846621725 /nfs/dbraw/zinc/62/17/25/846621725.db2.gz NLOSGOVRVMRMNM-OLZOCXBDSA-N 0 0 402.834 4.161 20 5 HIBDRN CN(c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 ZINC000022804531 846624077 /nfs/dbraw/zinc/62/40/77/846624077.db2.gz AGMSEVZFAMXNLF-UHFFFAOYSA-N 0 0 408.432 4.413 20 5 HIBDRN NC(=O)c1ccc(COC(=O)C2(c3cccc(Cl)c3)CCCCC2)c([N+](=O)[O-])c1 ZINC000022830080 846626384 /nfs/dbraw/zinc/62/63/84/846626384.db2.gz LIZQTKQJPMKVOB-UHFFFAOYSA-N 0 0 416.861 4.292 20 5 HIBDRN COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000022890080 846633048 /nfs/dbraw/zinc/63/30/48/846633048.db2.gz YJCYIVCGXABVJO-AWEZNQCLSA-N 0 0 408.410 4.249 20 5 HIBDRN COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000022907485 846636706 /nfs/dbraw/zinc/63/67/06/846636706.db2.gz JCIPBEJZGIWREQ-VIFPVBQESA-N 0 0 413.213 4.094 20 5 HIBDRN CC(C)Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)s1 ZINC000022925073 846637340 /nfs/dbraw/zinc/63/73/40/846637340.db2.gz PFGGZIROJLGOOP-UHFFFAOYSA-N 0 0 403.508 4.133 20 5 HIBDRN COc1ccc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000023052405 846653202 /nfs/dbraw/zinc/65/32/02/846653202.db2.gz XZGFQKHNIWBKQI-UHFFFAOYSA-N 0 0 412.471 4.137 20 5 HIBDRN CN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC000023152378 846665071 /nfs/dbraw/zinc/66/50/71/846665071.db2.gz QXZKDJUEGBLOAO-KRWDZBQOSA-N 0 0 423.498 4.024 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000023214070 846671260 /nfs/dbraw/zinc/67/12/60/846671260.db2.gz ZHLKWVXTXYISGN-SNVBAGLBSA-N 0 0 416.484 4.282 20 5 HIBDRN Cc1ccccc1CCNC(=O)[C@@H](C)Sc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000023214159 846671357 /nfs/dbraw/zinc/67/13/57/846671357.db2.gz VQLQOAOLKMBBTR-CYBMUJFWSA-N 0 0 401.513 4.352 20 5 HIBDRN CC(C)c1ccc(CN2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000023229979 846674420 /nfs/dbraw/zinc/67/44/20/846674420.db2.gz MYNWBGKRWUJCBM-UHFFFAOYSA-N 0 0 421.501 4.086 20 5 HIBDRN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000023291448 846681836 /nfs/dbraw/zinc/68/18/36/846681836.db2.gz IPTBAPKJXZKFPU-NRFANRHFSA-N 0 0 405.362 4.105 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2nnc3sc4ccccc4n23)cccc1[N+](=O)[O-] ZINC000023407202 846695564 /nfs/dbraw/zinc/69/55/64/846695564.db2.gz RWNZJWLWURZXDG-NSHDSACASA-N 0 0 413.484 4.280 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1C(F)(F)F ZINC000023445111 846703041 /nfs/dbraw/zinc/70/30/41/846703041.db2.gz HSANDONUWNZRBP-SECBINFHSA-N 0 0 416.739 4.451 20 5 HIBDRN CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000023487965 846707696 /nfs/dbraw/zinc/70/76/96/846707696.db2.gz KGMCPNFUDZSEGQ-OAHLLOKOSA-N 0 0 413.474 4.057 20 5 HIBDRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000023504217 846711199 /nfs/dbraw/zinc/71/11/99/846711199.db2.gz IAHHBCOENCOFAL-SFHVURJKSA-N 0 0 404.850 4.323 20 5 HIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 ZINC000023515305 846713233 /nfs/dbraw/zinc/71/32/33/846713233.db2.gz KEVCGJBPDGMNEJ-GOSISDBHSA-N 0 0 415.858 4.354 20 5 HIBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000023554947 846719481 /nfs/dbraw/zinc/71/94/81/846719481.db2.gz AUZKPMHDZPDUQQ-UHFFFAOYSA-N 0 0 402.403 4.435 20 5 HIBDRN COc1cccc(-c2nnc(Sc3ccc([N+](=O)[O-])cn3)n2-c2ccccc2)c1 ZINC000023615749 846729503 /nfs/dbraw/zinc/72/95/03/846729503.db2.gz ZTZZBAJTPSMTJO-UHFFFAOYSA-N 0 0 405.439 4.397 20 5 HIBDRN CCn1c(=O)c2c3c(sc2nc1Sc1ccc([N+](=O)[O-])cn1)C[C@H](C)CC3 ZINC000023608791 846729868 /nfs/dbraw/zinc/72/98/68/846729868.db2.gz PVLBHHKPYBURTB-SNVBAGLBSA-N 0 0 402.501 4.057 20 5 HIBDRN Cc1ccc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000023644622 846734910 /nfs/dbraw/zinc/73/49/10/846734910.db2.gz QWYXQKVXOFLUNO-UHFFFAOYSA-N 0 0 420.421 4.278 20 5 HIBDRN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000023750449 846745492 /nfs/dbraw/zinc/74/54/92/846745492.db2.gz AMSFXFXQGLJOBZ-UHFFFAOYSA-N 0 0 419.437 4.208 20 5 HIBDRN Cn1ccnc1[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(F)c1 ZINC000024015958 846773462 /nfs/dbraw/zinc/77/34/62/846773462.db2.gz HLXJILNEROJYJR-SFHVURJKSA-N 0 0 410.430 4.202 20 5 HIBDRN CNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 ZINC000024039587 846779226 /nfs/dbraw/zinc/77/92/26/846779226.db2.gz FTTKLOWXRPXOFC-UHFFFAOYSA-N 0 0 407.451 4.358 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024103232 846789959 /nfs/dbraw/zinc/78/99/59/846789959.db2.gz MFVSKJWYGGXFMM-UHFFFAOYSA-N 0 0 417.468 4.018 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000024354851 846816542 /nfs/dbraw/zinc/81/65/42/846816542.db2.gz XESWJUGURHDJNF-HXUWFJFHSA-N 0 0 413.474 4.168 20 5 HIBDRN Cc1ccc(NC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000024371694 846819375 /nfs/dbraw/zinc/81/93/75/846819375.db2.gz JDHNSEIXJCQZQF-UHFFFAOYSA-N 0 0 411.487 4.338 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)CCn1ccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000024484502 846830572 /nfs/dbraw/zinc/83/05/72/846830572.db2.gz QJRPERMEYSJOPL-IBGZPJMESA-N 0 0 423.469 4.139 20 5 HIBDRN CCOC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000024602496 846843783 /nfs/dbraw/zinc/84/37/83/846843783.db2.gz JTSFIPXAPDEYHD-HNNXBMFYSA-N 0 0 414.483 4.161 20 5 HIBDRN O=C(COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000024715033 846858078 /nfs/dbraw/zinc/85/80/78/846858078.db2.gz UDGJWQVPKGFPCY-UHFFFAOYSA-N 0 0 418.449 4.391 20 5 HIBDRN O=C(Nc1cccc(F)c1)C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436384941 861727443 /nfs/dbraw/zinc/72/74/43/861727443.db2.gz FXAAXGHKKYGNIU-UHFFFAOYSA-N 0 0 412.343 4.003 20 5 HIBDRN C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000024891400 846883415 /nfs/dbraw/zinc/88/34/15/846883415.db2.gz MWRDQFRZVPGEPW-SNVBAGLBSA-N 0 0 421.841 4.087 20 5 HIBDRN O=C(CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1c(Cl)cccc1Cl ZINC000024897058 846884436 /nfs/dbraw/zinc/88/44/36/846884436.db2.gz TVAXIXXNTNSVNS-UHFFFAOYSA-N 0 0 423.300 4.052 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000024900581 846885399 /nfs/dbraw/zinc/88/53/99/846885399.db2.gz NBZCBWPMGVTDAS-UHFFFAOYSA-N 0 0 419.441 4.073 20 5 HIBDRN CCSc1nnc(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 ZINC000024901031 846885500 /nfs/dbraw/zinc/88/55/00/846885500.db2.gz VBUSWBMZDSGVAQ-UHFFFAOYSA-N 0 0 409.461 4.461 20 5 HIBDRN Cc1cccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C ZINC000024997447 846901908 /nfs/dbraw/zinc/90/19/08/846901908.db2.gz TWEBMROGVZPOJB-LSDHHAIUSA-N 0 0 402.472 4.263 20 5 HIBDRN CSc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000024998031 846902147 /nfs/dbraw/zinc/90/21/47/846902147.db2.gz KURSKGMOXLYDSP-CHWSQXEVSA-N 0 0 420.512 4.368 20 5 HIBDRN Cc1ccc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c(OC[C@H]2CCOC2)c1 ZINC000436389343 861731322 /nfs/dbraw/zinc/73/13/22/861731322.db2.gz MIXABFFYZVYTKJ-ZDUSSCGKSA-N 0 0 411.380 4.344 20 5 HIBDRN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000025056810 846914186 /nfs/dbraw/zinc/91/41/86/846914186.db2.gz XMZKVIDEESWCAI-UHFFFAOYSA-N 0 0 416.499 4.057 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000025091131 846924216 /nfs/dbraw/zinc/92/42/16/846924216.db2.gz ZSGKRQBFVWHNQD-CABCVRRESA-N 0 0 417.535 4.209 20 5 HIBDRN CC(C)n1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O ZINC000025115776 846930543 /nfs/dbraw/zinc/93/05/43/846930543.db2.gz OOSMPNLRRJIFFP-ZDUSSCGKSA-N 0 0 412.471 4.005 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000025181734 846937423 /nfs/dbraw/zinc/93/74/23/846937423.db2.gz TXZMVZUFAXPOIC-ACJLOTCBSA-N 0 0 407.923 4.148 20 5 HIBDRN COCc1ccccc1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000025302923 846956270 /nfs/dbraw/zinc/95/62/70/846956270.db2.gz CBBBYQSTEOXGSY-UHFFFAOYSA-N 0 0 405.454 4.283 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCCOc1ccc(F)cc1 ZINC000025341759 846964306 /nfs/dbraw/zinc/96/43/06/846964306.db2.gz QOTJZWJSYWDINJ-UHFFFAOYSA-N 0 0 418.468 4.269 20 5 HIBDRN CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(CC)cccc2CC)cc1[N+](=O)[O-] ZINC000025387211 846971176 /nfs/dbraw/zinc/97/11/76/846971176.db2.gz FPNCBLGBIRYLMB-CQSZACIVSA-N 0 0 414.458 4.302 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436394801 861739623 /nfs/dbraw/zinc/73/96/23/861739623.db2.gz UGOVSYOXPHLFPI-UHFFFAOYSA-N 0 0 402.760 4.411 20 5 HIBDRN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000025567187 847003462 /nfs/dbraw/zinc/00/34/62/847003462.db2.gz YYVQDZMTGFMHQP-AWEZNQCLSA-N 0 0 413.865 4.181 20 5 HIBDRN O=C(CNc1ccc(-c2ccccc2)cc1F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000025715523 847024972 /nfs/dbraw/zinc/02/49/72/847024972.db2.gz DHOVTYYZHCOWIE-UHFFFAOYSA-N 0 0 409.373 4.180 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2OC(F)F)cc1OC ZINC000025790382 847037624 /nfs/dbraw/zinc/03/76/24/847037624.db2.gz WYBPQRCCFYXCIG-LLVKDONJSA-N 0 0 410.373 4.095 20 5 HIBDRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000025847990 847045959 /nfs/dbraw/zinc/04/59/59/847045959.db2.gz GWYURTXFMTWQCI-UHFFFAOYSA-N 0 0 405.458 4.069 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000025872739 847050107 /nfs/dbraw/zinc/05/01/07/847050107.db2.gz UASRJULFGGDXKO-UHFFFAOYSA-N 0 0 405.410 4.498 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](OC(=O)c2c(C)cccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000026122473 847091451 /nfs/dbraw/zinc/09/14/51/847091451.db2.gz YYBFXLBZBUVWDN-NRFANRHFSA-N 0 0 420.421 4.449 20 5 HIBDRN CN(CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026347721 847130418 /nfs/dbraw/zinc/13/04/18/847130418.db2.gz AUCFHAAMBPNLJJ-QFIPXVFZSA-N 0 0 403.482 4.127 20 5 HIBDRN Cc1c2cc(F)ccc2oc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000026358355 847133200 /nfs/dbraw/zinc/13/32/00/847133200.db2.gz HBEGVCMIXJBGPO-LBPRGKRZSA-N 0 0 400.362 4.281 20 5 HIBDRN O=C(CCSc1nnc(NC2CCCCC2)s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026367167 847134069 /nfs/dbraw/zinc/13/40/69/847134069.db2.gz HHBQTTDVTZFJID-UHFFFAOYSA-N 0 0 407.521 4.312 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(C2CC2)n1-c1ccccc1 ZINC000026368952 847135434 /nfs/dbraw/zinc/13/54/34/847135434.db2.gz IXDCSKJXWBJIFX-UHFFFAOYSA-N 0 0 423.498 4.482 20 5 HIBDRN C[C@H](Sc1ncc2ccccn21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000026372397 847136560 /nfs/dbraw/zinc/13/65/60/847136560.db2.gz HKWLOOBTMJBJNZ-JTQLQIEISA-N 0 0 410.377 4.381 20 5 HIBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000026399414 847140086 /nfs/dbraw/zinc/14/00/86/847140086.db2.gz XHRAYIFHVWKERJ-UHFFFAOYSA-N 0 0 416.648 4.314 20 5 HIBDRN COC(=O)c1ccc(F)c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000026497614 847158893 /nfs/dbraw/zinc/15/88/93/847158893.db2.gz FWUSVYYAKAQMTD-CYBMUJFWSA-N 0 0 415.421 4.009 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3cc(F)ccc3s2)cccc1[N+](=O)[O-] ZINC000026533066 847164952 /nfs/dbraw/zinc/16/49/52/847164952.db2.gz JKFLIPYVBABUSN-LLVKDONJSA-N 0 0 402.403 4.441 20 5 HIBDRN CC(C)c1nnc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000026570770 847171533 /nfs/dbraw/zinc/17/15/33/847171533.db2.gz MTWKARHWIZKFHI-CHWSQXEVSA-N 0 0 403.508 4.304 20 5 HIBDRN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(F)c(Cl)cc1Cl ZINC000026570076 847171543 /nfs/dbraw/zinc/17/15/43/847171543.db2.gz VAYYINSRCZDDRY-UHFFFAOYSA-N 0 0 412.160 4.448 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2nnc(NCc3ccco3)s2)cccc1[N+](=O)[O-] ZINC000026823576 847203939 /nfs/dbraw/zinc/20/39/39/847203939.db2.gz YWBKMQCJOPQDNQ-NSHDSACASA-N 0 0 419.488 4.079 20 5 HIBDRN Cc1c(C(=O)OCc2nc(-c3cccc(Br)c3)no2)cccc1[N+](=O)[O-] ZINC000026911366 847220559 /nfs/dbraw/zinc/22/05/59/847220559.db2.gz CUIKJGBXQYUKAM-UHFFFAOYSA-N 0 0 418.203 4.073 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(CC)c2nc3ccccc3s2)cc1OC ZINC000026908030 847221314 /nfs/dbraw/zinc/22/13/14/847221314.db2.gz RHNQPWVGFLZBGH-UHFFFAOYSA-N 0 0 401.444 4.279 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4nnco4)c3)cc2[N+](=O)[O-])C1 ZINC000027111946 847250349 /nfs/dbraw/zinc/25/03/49/847250349.db2.gz JYHNWVXAWBVNCK-HUUCEWRRSA-N 0 0 421.457 4.379 20 5 HIBDRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000027380224 847293358 /nfs/dbraw/zinc/29/33/58/847293358.db2.gz RVKZVQXHEKXPOH-AWEZNQCLSA-N 0 0 401.488 4.100 20 5 HIBDRN CCn1c(-c2ccco2)nn(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1=S ZINC000027533009 847316024 /nfs/dbraw/zinc/31/60/24/847316024.db2.gz WDVKTALJYGMHSE-UHFFFAOYSA-N 0 0 407.883 4.345 20 5 HIBDRN COc1ccc(-c2nn(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c(=S)[nH]2)cc1 ZINC000027533226 847316100 /nfs/dbraw/zinc/31/61/00/847316100.db2.gz GUMNBVMYFRBIOV-UHFFFAOYSA-N 0 0 419.894 4.267 20 5 HIBDRN CCc1nccn1[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436426544 861784672 /nfs/dbraw/zinc/78/46/72/861784672.db2.gz XBVJUPNFIIMKII-OAHLLOKOSA-N 0 0 418.472 4.057 20 5 HIBDRN COc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])cc3)cs2)c(OC)c1 ZINC000028184969 847392945 /nfs/dbraw/zinc/39/29/45/847392945.db2.gz MDNHCFKLFMPTLE-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000028381795 847413823 /nfs/dbraw/zinc/41/38/23/847413823.db2.gz GWCKDORTCWHIEZ-UHFFFAOYSA-N 0 0 420.903 4.472 20 5 HIBDRN CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000028400306 847416028 /nfs/dbraw/zinc/41/60/28/847416028.db2.gz KSYOBHLCBUYZQH-LLVKDONJSA-N 0 0 406.485 4.223 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000028400793 847416097 /nfs/dbraw/zinc/41/60/97/847416097.db2.gz RSWPXNINJSBJGX-NWDGAFQWSA-N 0 0 422.890 4.393 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000028423908 847420334 /nfs/dbraw/zinc/42/03/34/847420334.db2.gz WJBGALYFYGEIJL-GFCCVEGCSA-N 0 0 421.247 4.158 20 5 HIBDRN Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000028507327 847430899 /nfs/dbraw/zinc/43/08/99/847430899.db2.gz RIKCELTXPXYCJE-CYBMUJFWSA-N 0 0 411.389 4.083 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(Cc3cccnc3)C3CC3)cc2[N+](=O)[O-])C1 ZINC000028515604 847432798 /nfs/dbraw/zinc/43/27/98/847432798.db2.gz LCGIGEYLUFOXKK-IRXDYDNUSA-N 0 0 408.502 4.277 20 5 HIBDRN CCOc1c(Br)cc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000028612586 847436865 /nfs/dbraw/zinc/43/68/65/847436865.db2.gz LLQASVSJCBAZDA-UHFFFAOYSA-N 0 0 410.220 4.122 20 5 HIBDRN O=C(COc1ccc(Cl)cc1Cl)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000028614311 847437252 /nfs/dbraw/zinc/43/72/52/847437252.db2.gz CCQORXVIWZFQNZ-UHFFFAOYSA-N 0 0 424.196 4.074 20 5 HIBDRN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000028797807 847461764 /nfs/dbraw/zinc/46/17/64/847461764.db2.gz RSZFLVAILSPNEE-CYBMUJFWSA-N 0 0 409.471 4.172 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(SC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000028879176 847470543 /nfs/dbraw/zinc/47/05/43/847470543.db2.gz UEYYEXIKKZVXOB-LLVKDONJSA-N 0 0 410.398 4.402 20 5 HIBDRN CC(C)c1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000028938282 847481946 /nfs/dbraw/zinc/48/19/46/847481946.db2.gz XOQDUEGNWOIUNQ-CYBMUJFWSA-N 0 0 420.849 4.321 20 5 HIBDRN O=[N+]([O-])c1ccc(SCc2ccc(Cl)cc2)c(S(=O)(=O)N2CCCC2)c1 ZINC000028939843 847482074 /nfs/dbraw/zinc/48/20/74/847482074.db2.gz AYZASIMZXZJMRI-UHFFFAOYSA-N 0 0 412.920 4.325 20 5 HIBDRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000029030035 847495232 /nfs/dbraw/zinc/49/52/32/847495232.db2.gz PCSLSLUKXXKHPT-CDXDBMBRSA-N 0 0 416.861 4.414 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000029247057 847529739 /nfs/dbraw/zinc/52/97/39/847529739.db2.gz ADTILMQNWPYWKO-UHFFFAOYSA-N 0 0 420.421 4.233 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1cc2c(cc1Cl)OCCCO2 ZINC000029271254 847535681 /nfs/dbraw/zinc/53/56/81/847535681.db2.gz NGVFOXDLWQKWMN-UHFFFAOYSA-N 0 0 413.213 4.080 20 5 HIBDRN CN(C(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000029440864 847564658 /nfs/dbraw/zinc/56/46/58/847564658.db2.gz BSWBPOXKWQSDDN-UHFFFAOYSA-N 0 0 404.835 4.053 20 5 HIBDRN COc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 ZINC000029507816 847571766 /nfs/dbraw/zinc/57/17/66/847571766.db2.gz NVSFZQJDYIAENN-UHFFFAOYSA-N 0 0 419.437 4.153 20 5 HIBDRN O=c1c2ccccc2nc(SCc2ccccc2[N+](=O)[O-])n1Cc1cccnc1 ZINC000029619630 847589737 /nfs/dbraw/zinc/58/97/37/847589737.db2.gz FRGIWRGJKBHGHJ-UHFFFAOYSA-N 0 0 404.451 4.040 20 5 HIBDRN Cc1cccc(COc2ccc(CNc3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])cc2)c1 ZINC000029622718 847589912 /nfs/dbraw/zinc/58/99/12/847589912.db2.gz CLTBPKNINGGBRV-UHFFFAOYSA-N 0 0 416.437 4.331 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000029650410 847597142 /nfs/dbraw/zinc/59/71/42/847597142.db2.gz SISAZZVIPDVYJZ-HZPDHXFCSA-N 0 0 424.501 4.072 20 5 HIBDRN COc1cc(CN(C(=O)c2cccc(C)c2[N+](=O)[O-])C2CC2)ccc1OC(F)F ZINC000029767015 847615770 /nfs/dbraw/zinc/61/57/70/847615770.db2.gz IPOPAVWFWMYZHB-UHFFFAOYSA-N 0 0 406.385 4.318 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000029841316 847630856 /nfs/dbraw/zinc/63/08/56/847630856.db2.gz XFLHKQBVAJVGMA-IBGZPJMESA-N 0 0 402.406 4.111 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000029841322 847631080 /nfs/dbraw/zinc/63/10/80/847631080.db2.gz XFLHKQBVAJVGMA-LJQANCHMSA-N 0 0 402.406 4.111 20 5 HIBDRN O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000030175104 847685464 /nfs/dbraw/zinc/68/54/64/847685464.db2.gz WPMGEMDEKKSDPY-INIZCTEOSA-N 0 0 411.439 4.179 20 5 HIBDRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000030314248 847700723 /nfs/dbraw/zinc/70/07/23/847700723.db2.gz MJVCFHBWSBHQDE-UHFFFAOYSA-N 0 0 400.378 4.244 20 5 HIBDRN Cc1nn(C)c2ncc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cc12 ZINC000030805054 847778643 /nfs/dbraw/zinc/77/86/43/847778643.db2.gz DUCKDOSFFJTQFQ-UHFFFAOYSA-N 0 0 402.414 4.181 20 5 HIBDRN CCOc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000031084096 847819799 /nfs/dbraw/zinc/81/97/99/847819799.db2.gz DGRVTTQBAQVEQR-UHFFFAOYSA-N 0 0 400.309 4.153 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000031264858 847854168 /nfs/dbraw/zinc/85/41/68/847854168.db2.gz LZECVSPRYFRHHN-RDTXWAMCSA-N 0 0 402.472 4.272 20 5 HIBDRN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031278970 847856720 /nfs/dbraw/zinc/85/67/20/847856720.db2.gz UYBZJCPKLMHSHQ-UHFFFAOYSA-N 0 0 405.241 4.360 20 5 HIBDRN CC(C)Oc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000031292349 847858127 /nfs/dbraw/zinc/85/81/27/847858127.db2.gz BGAWWBCADBUZGB-UHFFFAOYSA-N 0 0 414.505 4.301 20 5 HIBDRN CC(C)OCc1ccccc1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000031342108 847866551 /nfs/dbraw/zinc/86/65/51/847866551.db2.gz MKYUQFRBKAWSBR-UHFFFAOYSA-N 0 0 414.505 4.396 20 5 HIBDRN CCN(CC(C)C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000031376880 847870868 /nfs/dbraw/zinc/87/08/68/847870868.db2.gz QOPOVWVJROMNTD-UHFFFAOYSA-N 0 0 406.486 4.495 20 5 HIBDRN CCCCNC(=O)C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000031524325 847899612 /nfs/dbraw/zinc/89/96/12/847899612.db2.gz NVTNQFGSCSFUHM-UHFFFAOYSA-N 0 0 424.501 4.107 20 5 HIBDRN Cc1cccc(C(=O)N2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)c1 ZINC000031640767 847922397 /nfs/dbraw/zinc/92/23/97/847922397.db2.gz DHZSRUKITCROFS-UHFFFAOYSA-N 0 0 423.494 4.106 20 5 HIBDRN CC(C)[C@H](C)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000031717070 847937624 /nfs/dbraw/zinc/93/76/24/847937624.db2.gz NTXGYPYPFPYLNX-ZDUSSCGKSA-N 0 0 401.429 4.333 20 5 HIBDRN CCCn1nccc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000031770935 847945653 /nfs/dbraw/zinc/94/56/53/847945653.db2.gz VBRFIAJMPHWXTR-UHFFFAOYSA-N 0 0 403.489 4.370 20 5 HIBDRN O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1ccc([N+](=O)[O-])s1 ZINC000031826339 847957004 /nfs/dbraw/zinc/95/70/04/847957004.db2.gz ZWJSPGDFIWXCMU-UHFFFAOYSA-N 0 0 403.363 4.459 20 5 HIBDRN O=C(Nc1ccccc1)c1ccccc1OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000031840580 847958092 /nfs/dbraw/zinc/95/80/92/847958092.db2.gz PQSLMNFYYRGPPK-UHFFFAOYSA-N 0 0 416.393 4.476 20 5 HIBDRN Cc1cccc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1[N+](=O)[O-] ZINC000031898138 847963971 /nfs/dbraw/zinc/96/39/71/847963971.db2.gz VNCDOCAMEATIBK-QGZVFWFLSA-N 0 0 405.857 4.263 20 5 HIBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000031930891 847966655 /nfs/dbraw/zinc/96/66/55/847966655.db2.gz HQTSULAPTRSBTO-UHFFFAOYSA-N 0 0 415.446 4.350 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1[N+](=O)[O-] ZINC000031993019 847976894 /nfs/dbraw/zinc/97/68/94/847976894.db2.gz HITWPQLZHCKKLC-UHFFFAOYSA-N 0 0 401.419 4.432 20 5 HIBDRN COc1ccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000032042179 847981495 /nfs/dbraw/zinc/98/14/95/847981495.db2.gz NTXUIJYTFVYPEC-UWVGGRQHSA-N 0 0 414.302 4.243 20 5 HIBDRN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032156024 847989263 /nfs/dbraw/zinc/98/92/63/847989263.db2.gz FYIKZQHHFGEZNI-NRFANRHFSA-N 0 0 412.449 4.494 20 5 HIBDRN O=C(c1ccc2cc[nH]c2c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000032485862 848037811 /nfs/dbraw/zinc/03/78/11/848037811.db2.gz KOFLOXSGCBGTQE-UHFFFAOYSA-N 0 0 418.375 4.057 20 5 HIBDRN CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1[N+](=O)[O-] ZINC000032516473 848042059 /nfs/dbraw/zinc/04/20/59/848042059.db2.gz UFAWRHJGTMTCCT-IBGZPJMESA-N 0 0 417.893 4.214 20 5 HIBDRN CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032681021 848062865 /nfs/dbraw/zinc/06/28/65/848062865.db2.gz RFHVJXHNJQDRDO-UHFFFAOYSA-N 0 0 405.241 4.360 20 5 HIBDRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000032698138 848065870 /nfs/dbraw/zinc/06/58/70/848065870.db2.gz PWJAIMVSOFTMEK-UHFFFAOYSA-N 0 0 422.484 4.075 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000033019007 848100819 /nfs/dbraw/zinc/10/08/19/848100819.db2.gz IUXHNZSEDAOKPL-OAHLLOKOSA-N 0 0 422.485 4.035 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC(F)F ZINC000033079665 848105817 /nfs/dbraw/zinc/10/58/17/848105817.db2.gz WULRXDYIEAKFOY-UHFFFAOYSA-N 0 0 400.765 4.130 20 5 HIBDRN COCCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000033167683 848117929 /nfs/dbraw/zinc/11/79/29/848117929.db2.gz BPNNZXJJYYIPPD-UHFFFAOYSA-N 0 0 402.447 4.140 20 5 HIBDRN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036074997 848146361 /nfs/dbraw/zinc/14/63/61/848146361.db2.gz VOHLSGLYUHZFRO-GOSISDBHSA-N 0 0 408.285 4.469 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 ZINC000039210141 848182504 /nfs/dbraw/zinc/18/25/04/848182504.db2.gz TUYDXMDVFOVOBJ-UHFFFAOYSA-N 0 0 407.213 4.171 20 5 HIBDRN CCCC[C@H](CC)CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000040435804 848197626 /nfs/dbraw/zinc/19/76/26/848197626.db2.gz MEYCLPZBNVTVIE-NSHDSACASA-N 0 0 404.248 4.146 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000041929922 848265872 /nfs/dbraw/zinc/26/58/72/848265872.db2.gz WVLIKYZUGCIKGY-UHFFFAOYSA-N 0 0 405.863 4.106 20 5 HIBDRN CNc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1[N+](=O)[O-] ZINC000042759795 848352761 /nfs/dbraw/zinc/35/27/61/848352761.db2.gz PCGIUZXKTQGBPH-UHFFFAOYSA-N 0 0 414.849 4.451 20 5 HIBDRN C[C@@H](Nc1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000042855093 848359811 /nfs/dbraw/zinc/35/98/11/848359811.db2.gz NGGXYZWOFNZBDZ-CYBMUJFWSA-N 0 0 410.455 4.348 20 5 HIBDRN O=C(Cc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918648 848365483 /nfs/dbraw/zinc/36/54/83/848365483.db2.gz XUHHUHYFEIVHEO-UHFFFAOYSA-N 0 0 401.163 4.140 20 5 HIBDRN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)ccc1OC(F)F ZINC000042918574 848365567 /nfs/dbraw/zinc/36/55/67/848365567.db2.gz LJQACHDCQFSEHP-UHFFFAOYSA-N 0 0 404.272 4.059 20 5 HIBDRN COc1cc(CCNC(=O)Nc2c(C)cccc2C(C)C)c([N+](=O)[O-])cc1OC ZINC000043313360 848407307 /nfs/dbraw/zinc/40/73/07/848407307.db2.gz YKDFUWHQPOGOLW-UHFFFAOYSA-N 0 0 401.463 4.408 20 5 HIBDRN COc1cc(CCNC(=O)Nc2ccccc2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000043315329 848407844 /nfs/dbraw/zinc/40/78/44/848407844.db2.gz PVWMHHZLXBCPAG-UHFFFAOYSA-N 0 0 401.463 4.274 20 5 HIBDRN Cc1c(NC(=O)N2CCN(C(=O)c3cccc4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000043346647 848412510 /nfs/dbraw/zinc/41/25/10/848412510.db2.gz JJOMZZRQZTVQHT-UHFFFAOYSA-N 0 0 418.453 4.046 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000043644151 848445243 /nfs/dbraw/zinc/44/52/43/848445243.db2.gz SLIXLZXAADEAFS-GFCCVEGCSA-N 0 0 411.380 4.081 20 5 HIBDRN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000043718173 848454126 /nfs/dbraw/zinc/45/41/26/848454126.db2.gz ZGMDRHQJTHPUKO-FQEVSTJZSA-N 0 0 414.893 4.231 20 5 HIBDRN Cc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1[N+](=O)[O-] ZINC000043739417 848457311 /nfs/dbraw/zinc/45/73/11/848457311.db2.gz LCLKIXYUMAANSI-UHFFFAOYSA-N 0 0 422.890 4.282 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1Oc1ccccc1I ZINC000044379211 848554042 /nfs/dbraw/zinc/55/40/42/848554042.db2.gz HBHRTXAMBCRNRZ-UHFFFAOYSA-N 0 0 420.988 4.149 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(OCc2cccnc2)c1 ZINC000044524212 848565753 /nfs/dbraw/zinc/56/57/53/848565753.db2.gz RWZYWZFHXLZNMB-UHFFFAOYSA-N 0 0 415.352 4.423 20 5 HIBDRN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000044759203 848597907 /nfs/dbraw/zinc/59/79/07/848597907.db2.gz KEKWYIJCKJDCLM-UHFFFAOYSA-N 0 0 405.410 4.173 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)cc1 ZINC000044818053 848607391 /nfs/dbraw/zinc/60/73/91/848607391.db2.gz BKMLKNMDVQIXJF-UHFFFAOYSA-N 0 0 417.468 4.018 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1OC ZINC000045413542 848677474 /nfs/dbraw/zinc/67/74/74/848677474.db2.gz PQVWKTJAVMYIFF-UHFFFAOYSA-N 0 0 404.850 4.460 20 5 HIBDRN CCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cc(C)cc(C)c1 ZINC000045516105 848687918 /nfs/dbraw/zinc/68/79/18/848687918.db2.gz ZSXWJJXJPPYKJU-UHFFFAOYSA-N 0 0 411.487 4.158 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000045537132 848690560 /nfs/dbraw/zinc/69/05/60/848690560.db2.gz LMMLOCHCPRPRQX-DNVCBOLYSA-N 0 0 416.499 4.275 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000045537129 848690591 /nfs/dbraw/zinc/69/05/91/848690591.db2.gz LMMLOCHCPRPRQX-BEFAXECRSA-N 0 0 416.499 4.275 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC ZINC000045620373 848704006 /nfs/dbraw/zinc/70/40/06/848704006.db2.gz YMDVVLMEARULTG-UHFFFAOYSA-N 0 0 415.229 4.188 20 5 HIBDRN COc1cc([C@H](C)NC(=O)NCc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000045625337 848704875 /nfs/dbraw/zinc/70/48/75/848704875.db2.gz AMQPJZACPHDCEQ-HNNXBMFYSA-N 0 0 413.474 4.485 20 5 HIBDRN CC[C@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 ZINC000045752069 848723049 /nfs/dbraw/zinc/72/30/49/848723049.db2.gz CBFASXNKURNAKK-LPHOPBHVSA-N 0 0 403.866 4.039 20 5 HIBDRN COc1cccc(Oc2ccc(CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cn2)c1 ZINC000045988036 848766401 /nfs/dbraw/zinc/76/64/01/848766401.db2.gz BCPXULZJAAGJMK-UHFFFAOYSA-N 0 0 408.414 4.421 20 5 HIBDRN COc1ccc(OC)c(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000046082011 848782767 /nfs/dbraw/zinc/78/27/67/848782767.db2.gz OTYDHHDJCMOGJX-UHFFFAOYSA-N 0 0 407.426 4.476 20 5 HIBDRN COc1ccc(CSCC(=O)N(Cc2cccc(F)c2)C2CC2)cc1[N+](=O)[O-] ZINC000046209717 848803855 /nfs/dbraw/zinc/80/38/55/848803855.db2.gz WHEPFFRJOYREPW-UHFFFAOYSA-N 0 0 404.463 4.167 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000046246196 848810911 /nfs/dbraw/zinc/81/09/11/848810911.db2.gz ZMHCFFZQBCIRAQ-UHFFFAOYSA-N 0 0 419.363 4.240 20 5 HIBDRN CCN(CC)C(=O)Cc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000046266637 848814620 /nfs/dbraw/zinc/81/46/20/848814620.db2.gz JVSVKZJIQIBQSV-HNNXBMFYSA-N 0 0 415.515 4.125 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000046361857 848832716 /nfs/dbraw/zinc/83/27/16/848832716.db2.gz UVMDRVIGHLZNGX-UHFFFAOYSA-N 0 0 416.437 4.094 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000046506960 848862062 /nfs/dbraw/zinc/86/20/62/848862062.db2.gz VAIMWILSJBDMNP-KSSFIOAISA-N 0 0 402.472 4.272 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000046533571 848868821 /nfs/dbraw/zinc/86/88/21/848868821.db2.gz SIGWJDDFKIEIAC-UHFFFAOYSA-N 0 0 416.327 4.273 20 5 HIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000046568122 848875696 /nfs/dbraw/zinc/87/56/96/848875696.db2.gz VKBMOPSCQFHHAN-JKSUJKDBSA-N 0 0 422.510 4.483 20 5 HIBDRN CCOc1cc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000046608468 848884600 /nfs/dbraw/zinc/88/46/00/848884600.db2.gz ZMMSSUGCWMELHL-UHFFFAOYSA-N 0 0 412.414 4.003 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000046612318 848887047 /nfs/dbraw/zinc/88/70/47/848887047.db2.gz CYBLPANYWQRRDS-UHFFFAOYSA-N 0 0 407.426 4.419 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000046660250 848901289 /nfs/dbraw/zinc/90/12/89/848901289.db2.gz XKVNMWUQHUQZJA-UHFFFAOYSA-N 0 0 404.426 4.286 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000046846222 848947361 /nfs/dbraw/zinc/94/73/61/848947361.db2.gz QQZDXVNMEHZDLU-OAQYLSRUSA-N 0 0 421.522 4.115 20 5 HIBDRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000047125595 848988160 /nfs/dbraw/zinc/98/81/60/848988160.db2.gz YZONMPBGUGXLJV-ZDUSSCGKSA-N 0 0 406.280 4.130 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3ccco3)cs2)c([N+](=O)[O-])cc1OC(F)F ZINC000047170353 848996346 /nfs/dbraw/zinc/99/63/46/848996346.db2.gz DMUAFOJXXWGYLX-UHFFFAOYSA-N 0 0 411.342 4.174 20 5 HIBDRN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2csc(C3CCCCC3)n2)C1=O ZINC000047357259 849031893 /nfs/dbraw/zinc/03/18/93/849031893.db2.gz TXBOCOVBLCPZBD-HXUWFJFHSA-N 0 0 414.487 4.066 20 5 HIBDRN COc1ccc(Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1[N+](=O)[O-] ZINC000047368647 849033174 /nfs/dbraw/zinc/03/31/74/849033174.db2.gz RVCIDLFZPCEMSQ-UHFFFAOYSA-N 0 0 407.451 4.399 20 5 HIBDRN CCOc1cc(NC(=O)N(CC)Cc2ccc(OC)cc2)c([N+](=O)[O-])cc1OCC ZINC000047393934 849038507 /nfs/dbraw/zinc/03/85/07/849038507.db2.gz INMUVGHJFMKZQS-UHFFFAOYSA-N 0 0 417.462 4.455 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000047492673 849056054 /nfs/dbraw/zinc/05/60/54/849056054.db2.gz FTUKNVJKSQDKAY-UHFFFAOYSA-N 0 0 404.470 4.457 20 5 HIBDRN C[C@H](CCc1ccco1)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000047741566 849102202 /nfs/dbraw/zinc/10/22/02/849102202.db2.gz HFRYVTPJIDYDHW-LLVKDONJSA-N 0 0 402.394 4.436 20 5 HIBDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000047865445 849129474 /nfs/dbraw/zinc/12/94/74/849129474.db2.gz RDNNAKLCWFMPKO-SNVBAGLBSA-N 0 0 408.361 4.037 20 5 HIBDRN CC(C)CNC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000048141799 849177528 /nfs/dbraw/zinc/17/75/28/849177528.db2.gz ROXRXBJXBANQAL-UHFFFAOYSA-N 0 0 418.881 4.298 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(I)cc2Cl)cc1[N+](=O)[O-] ZINC000048458475 849225599 /nfs/dbraw/zinc/22/55/99/849225599.db2.gz CCSAJPWEHULDCO-UHFFFAOYSA-N 0 0 422.631 4.475 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1[N+](=O)[O-] ZINC000048476523 849228581 /nfs/dbraw/zinc/22/85/81/849228581.db2.gz JHUGXTZVHZFXLW-UHFFFAOYSA-N 0 0 418.396 4.007 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000048842449 849273890 /nfs/dbraw/zinc/27/38/90/849273890.db2.gz TYSWXHZOFQEGOK-VIFPVBQESA-N 0 0 414.220 4.165 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000048963205 849283362 /nfs/dbraw/zinc/28/33/62/849283362.db2.gz XFIUVBKPBGYWAJ-LJQANCHMSA-N 0 0 409.829 4.093 20 5 HIBDRN CC1(C)Oc2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2O1 ZINC000049306566 849302521 /nfs/dbraw/zinc/30/25/21/849302521.db2.gz HJHPDXFZEKRBSJ-UHFFFAOYSA-N 0 0 412.320 4.296 20 5 HIBDRN O=C(Nc1cnc(-c2ccccc2)nc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000049618453 849315043 /nfs/dbraw/zinc/31/50/43/849315043.db2.gz CTYZTJWEXPGWKE-UHFFFAOYSA-N 0 0 418.331 4.245 20 5 HIBDRN Cc1c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n[nH]c1C(F)(F)F ZINC000050008629 849340073 /nfs/dbraw/zinc/34/00/73/849340073.db2.gz PPPNHFSDMUDBLT-SNVBAGLBSA-N 0 0 411.384 4.134 20 5 HIBDRN CC(=O)Nc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000050310245 849370233 /nfs/dbraw/zinc/37/02/33/849370233.db2.gz KGIDVRNEGNFUSI-UHFFFAOYSA-N 0 0 400.391 4.068 20 5 HIBDRN CC(C)NC(=O)c1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000050334283 849373760 /nfs/dbraw/zinc/37/37/60/849373760.db2.gz AFWFAQXBTAVCPP-UHFFFAOYSA-N 0 0 410.455 4.109 20 5 HIBDRN Cc1ccc(-c2nnco2)cc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050582021 849396592 /nfs/dbraw/zinc/39/65/92/849396592.db2.gz XUOUSLZRCNFZDH-UHFFFAOYSA-N 0 0 407.411 4.329 20 5 HIBDRN COc1c(C)cnc(CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1C ZINC000050629872 849399856 /nfs/dbraw/zinc/39/98/56/849399856.db2.gz LNQXQGATTPRGHN-UHFFFAOYSA-N 0 0 412.471 4.011 20 5 HIBDRN CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000050868060 849416623 /nfs/dbraw/zinc/41/66/23/849416623.db2.gz NHLVGXRZJBGOOF-AUSIDOKSSA-N 0 0 411.502 4.413 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1C ZINC000051164635 849438658 /nfs/dbraw/zinc/43/86/58/849438658.db2.gz OIVXAYXEWDKWNY-WIYYLYMNSA-N 0 0 418.515 4.000 20 5 HIBDRN Cc1cc(N2CCSCC2)ccc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000051186419 849440880 /nfs/dbraw/zinc/44/08/80/849440880.db2.gz ZBQSZFFTXXJMDE-INIZCTEOSA-N 0 0 414.531 4.204 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(OC(C)C)cc2F)cc1[N+](=O)[O-] ZINC000052020712 849541444 /nfs/dbraw/zinc/54/14/44/849541444.db2.gz RBKCGJFSCVZDNM-UHFFFAOYSA-N 0 0 408.451 4.402 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])c1 ZINC000052357984 849573542 /nfs/dbraw/zinc/57/35/42/849573542.db2.gz NOUKKIOHFYDBQY-HNNXBMFYSA-N 0 0 412.490 4.330 20 5 HIBDRN CS(=O)(=O)c1ccc(N2CCC[C@H]2Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000052430826 849581727 /nfs/dbraw/zinc/58/17/27/849581727.db2.gz QODYZKIJTQKQGJ-LBPRGKRZSA-N 0 0 412.870 4.002 20 5 HIBDRN CCOc1c(Cl)cc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1OC ZINC000052473508 849585952 /nfs/dbraw/zinc/58/59/52/849585952.db2.gz MCSUKURQCOCBBI-UHFFFAOYSA-N 0 0 419.865 4.160 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000052929363 849644952 /nfs/dbraw/zinc/64/49/52/849644952.db2.gz 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FYOODUYGAHORGQ-UHFFFAOYSA-N 0 0 418.400 4.226 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1cc(Br)ccc1F ZINC000058411391 850817588 /nfs/dbraw/zinc/81/75/88/850817588.db2.gz WUGMFOJTKFKOPZ-UHFFFAOYSA-N 0 0 412.215 4.169 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000058415899 850818217 /nfs/dbraw/zinc/81/82/17/850818217.db2.gz UPLAVUADHOXTQI-UHFFFAOYSA-N 0 0 424.432 4.430 20 5 HIBDRN O=C(CCCOc1cccc(F)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000058417444 850818241 /nfs/dbraw/zinc/81/82/41/850818241.db2.gz FASJHPKNZSLTEP-UHFFFAOYSA-N 0 0 414.355 4.484 20 5 HIBDRN COc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c([N+](=O)[O-])c1 ZINC000058513445 850843083 /nfs/dbraw/zinc/84/30/83/850843083.db2.gz KGKQIVFOKJSCPS-UHFFFAOYSA-N 0 0 403.341 4.108 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(Cc2ccccc2)c2ccccn2)cc([N+](=O)[O-])c1 ZINC000058530963 850847302 /nfs/dbraw/zinc/84/73/02/850847302.db2.gz PSBMUMAVMDNVLU-UHFFFAOYSA-N 0 0 405.410 4.014 20 5 HIBDRN 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0 0 409.486 4.294 20 5 HIBDRN Cc1ccc(C(=O)NC2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)s1 ZINC000110458031 853102488 /nfs/dbraw/zinc/10/24/88/853102488.db2.gz PEQYBAPYRJLNGR-UHFFFAOYSA-N 0 0 424.320 4.126 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000110483357 853106622 /nfs/dbraw/zinc/10/66/22/853106622.db2.gz SXHURQINESSWLZ-ZHRRBRCNSA-N 0 0 417.465 4.230 20 5 HIBDRN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000110487985 853106653 /nfs/dbraw/zinc/10/66/53/853106653.db2.gz ZUJJXBWJVSPOEQ-UHFFFAOYSA-N 0 0 419.441 4.338 20 5 HIBDRN O=C(Nc1cc(F)ccc1N1CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000110500649 853108206 /nfs/dbraw/zinc/10/82/06/853108206.db2.gz UQDAUXQPRGLHBO-UHFFFAOYSA-N 0 0 409.421 4.162 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000110853343 853157374 /nfs/dbraw/zinc/15/73/74/853157374.db2.gz HHEYTBBOPWNMRY-AWEZNQCLSA-N 0 0 400.378 4.139 20 5 HIBDRN CCOC(=O)c1c(C)c2ccccc2nc1COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000110897630 853165463 /nfs/dbraw/zinc/16/54/63/853165463.db2.gz ZNCMNYCKJVGFFV-UHFFFAOYSA-N 0 0 412.373 4.124 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(SC(=O)N(C)C)cc1 ZINC000111000746 853184179 /nfs/dbraw/zinc/18/41/79/853184179.db2.gz OVKJHLVMONSKNQ-GFCCVEGCSA-N 0 0 405.501 4.488 20 5 HIBDRN COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1nc2ccc([N+](=O)[O-])cc2s1)CC3 ZINC000111106222 853202921 /nfs/dbraw/zinc/20/29/21/853202921.db2.gz ZGMXPARMYFGZNV-UHFFFAOYSA-N 0 0 408.439 4.035 20 5 HIBDRN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000115123490 853246105 /nfs/dbraw/zinc/24/61/05/853246105.db2.gz FPDRRKGJDLATCO-UHFFFAOYSA-N 0 0 422.466 4.097 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2ccco2)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000115378827 853251090 /nfs/dbraw/zinc/25/10/90/853251090.db2.gz CQKNVVLQRKWFII-GOSISDBHSA-N 0 0 418.352 4.317 20 5 HIBDRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000115897751 853270260 /nfs/dbraw/zinc/27/02/60/853270260.db2.gz PHFVZOAZIVGMPU-UHFFFAOYSA-N 0 0 419.484 4.214 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000116003105 853277817 /nfs/dbraw/zinc/27/78/17/853277817.db2.gz KRFDGICWHJRHTA-INIZCTEOSA-N 0 0 416.909 4.083 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000116003214 853278249 /nfs/dbraw/zinc/27/82/49/853278249.db2.gz IEHMFFFEVGMFBS-LSDHHAIUSA-N 0 0 419.934 4.372 20 5 HIBDRN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000116103639 853283458 /nfs/dbraw/zinc/28/34/58/853283458.db2.gz MXJSNDIXQDCHMQ-KRWDZBQOSA-N 0 0 409.820 4.093 20 5 HIBDRN O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000116545194 853313702 /nfs/dbraw/zinc/31/37/02/853313702.db2.gz ULFTYIPRFUQDFS-UHFFFAOYSA-N 0 0 410.357 4.294 20 5 HIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cccc(OCc2cscn2)c1 ZINC000116637615 853322123 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402.838 4.258 20 5 HIBDRN CCO[C@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000141314389 853467823 /nfs/dbraw/zinc/46/78/23/853467823.db2.gz IUIWXJTVAQFPBZ-PXNSSMCTSA-N 0 0 417.893 4.429 20 5 HIBDRN Cc1cccc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c1[N+](=O)[O-] ZINC000141705275 853479078 /nfs/dbraw/zinc/47/90/78/853479078.db2.gz WDSVWYNQJIDYTD-UHFFFAOYSA-N 0 0 400.438 4.231 20 5 HIBDRN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000142719005 853498716 /nfs/dbraw/zinc/49/87/16/853498716.db2.gz VGGKNYKXRLEQEW-UHFFFAOYSA-N 0 0 410.474 4.240 20 5 HIBDRN O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])N1CCC[C@@H](C(F)(F)F)C1 ZINC000145267140 853548157 /nfs/dbraw/zinc/54/81/57/853548157.db2.gz PIBQFLWBGCLFNN-MRXNPFEDSA-N 0 0 408.376 4.442 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1 ZINC000146072869 853563244 /nfs/dbraw/zinc/56/32/44/853563244.db2.gz UXBSVNUTEPTSPS-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000146373825 853568107 /nfs/dbraw/zinc/56/81/07/853568107.db2.gz QYOANUXMFHGMJD-UHFFFAOYSA-N 0 0 409.423 4.403 20 5 HIBDRN CCc1nc(CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cs1 ZINC000149696655 853629768 /nfs/dbraw/zinc/62/97/68/853629768.db2.gz UZTKLOSWNXJKSK-UHFFFAOYSA-N 0 0 402.520 4.122 20 5 HIBDRN O=C(Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1Br ZINC000159028226 853645143 /nfs/dbraw/zinc/64/51/43/853645143.db2.gz WCXKWGOMSHSIOE-UHFFFAOYSA-N 0 0 400.026 4.372 20 5 HIBDRN O=C(OCc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1Br ZINC000159223616 853645162 /nfs/dbraw/zinc/64/51/62/853645162.db2.gz AALZYABWPLXCAQ-UHFFFAOYSA-N 0 0 415.037 4.477 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1)C1CC1 ZINC000437260439 862490851 /nfs/dbraw/zinc/49/08/51/862490851.db2.gz QORHEMZVEVZILK-UHFFFAOYSA-N 0 0 421.375 4.377 20 5 HIBDRN Cc1cccc(OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000195596964 853704685 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4.116 20 5 HIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCOc1cc(Cl)ccc1Cl ZINC000195741448 853789381 /nfs/dbraw/zinc/78/93/81/853789381.db2.gz BQGFVUCWQWJKJQ-UHFFFAOYSA-N 0 0 406.225 4.204 20 5 HIBDRN COc1ccc2cc(/C=C\C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000205598692 853796666 /nfs/dbraw/zinc/79/66/66/853796666.db2.gz FABBIPZROPLWAS-KYHFQZCVSA-N 0 0 420.421 4.340 20 5 HIBDRN O=C(OCCO)c1c2ccccc2nc2c1CCC/C2=C/c1ccc([N+](=O)[O-])cc1 ZINC000206348956 853798291 /nfs/dbraw/zinc/79/82/91/853798291.db2.gz KEYMUODRFYMYFO-PEZBUJJGSA-N 0 0 404.422 4.169 20 5 HIBDRN C[C@@H](OC(=O)/C=C\c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000206693782 853799636 /nfs/dbraw/zinc/79/96/36/853799636.db2.gz GBWOSZAQDGWNQY-DHHDDZJSSA-N 0 0 409.225 4.485 20 5 HIBDRN C[C@@H](OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000211549466 853816758 /nfs/dbraw/zinc/81/67/58/853816758.db2.gz IGBIDQOMIOEGPC-CSXHZRMWSA-N 0 0 408.332 4.197 20 5 HIBDRN CN(Cc1ccc(Br)o1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000215797781 853837787 /nfs/dbraw/zinc/83/77/87/853837787.db2.gz DSVBFINVMKCHNP-UHFFFAOYSA-N 0 0 422.260 4.346 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000216138299 853845257 /nfs/dbraw/zinc/84/52/57/853845257.db2.gz SCOFUXBPZZDZRQ-UHFFFAOYSA-N 0 0 410.757 4.076 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000216354365 853850143 /nfs/dbraw/zinc/85/01/43/853850143.db2.gz IARUSHAPPQXNEL-GOSISDBHSA-N 0 0 408.414 4.187 20 5 HIBDRN COc1ccc(C(=O)N2CCCc3cc(Br)cc(C)c32)cc1[N+](=O)[O-] ZINC000216771321 853858857 /nfs/dbraw/zinc/85/88/57/853858857.db2.gz QSPVFHKGUAONCK-UHFFFAOYSA-N 0 0 405.248 4.267 20 5 HIBDRN COc1ccc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)c([N+](=O)[O-])c1 ZINC000218138800 853862171 /nfs/dbraw/zinc/86/21/71/853862171.db2.gz RQCYYMBGVNZLTD-UHFFFAOYSA-N 0 0 417.418 4.339 20 5 HIBDRN Cc1cc2sc(N(Cc3ccccc3)C(=O)Cn3cc([N+](=O)[O-])cn3)nc2c(C)c1 ZINC000219529559 853871050 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407.405 4.420 20 5 HIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2cc(F)ccc2Br)c1 ZINC000237823343 854104559 /nfs/dbraw/zinc/10/45/59/854104559.db2.gz BZTTVHHUFDLUKI-UHFFFAOYSA-N 0 0 405.170 4.388 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2ccnn2C[C@H]2CCOC2)ccc1Oc1ccc(F)cc1 ZINC000237884715 854114903 /nfs/dbraw/zinc/11/49/03/854114903.db2.gz IPWQCHQBZZZPFD-MRXNPFEDSA-N 0 0 412.421 4.371 20 5 HIBDRN Cc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000237894186 854115824 /nfs/dbraw/zinc/11/58/24/854115824.db2.gz QGAGLAAOCWOOLT-QHCPKHFHSA-N 0 0 424.522 4.494 20 5 HIBDRN O=C1CCCN1Cc1ccccc1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000238057691 854138667 /nfs/dbraw/zinc/13/86/67/854138667.db2.gz ISTMSNLHQLASBS-UHFFFAOYSA-N 0 0 422.510 4.131 20 5 HIBDRN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000247323869 854157083 /nfs/dbraw/zinc/15/70/83/854157083.db2.gz MSDHKDZMWUOVSO-UHFFFAOYSA-N 0 0 418.453 4.427 20 5 HIBDRN Cc1c(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000248005091 854172674 /nfs/dbraw/zinc/17/26/74/854172674.db2.gz VHWRNHIGLAQZFQ-UHFFFAOYSA-N 0 0 402.363 4.326 20 5 HIBDRN Cn1ccnc1Sc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000248143357 854181867 /nfs/dbraw/zinc/18/18/67/854181867.db2.gz QZGDMVMIGPHKTI-UHFFFAOYSA-N 0 0 423.498 4.332 20 5 HIBDRN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccccc1[N+](=O)[O-])OCCO3 ZINC000253591632 854208159 /nfs/dbraw/zinc/20/81/59/854208159.db2.gz SLLMEORNAPHIOK-HNNXBMFYSA-N 0 0 408.454 4.395 20 5 HIBDRN O=C(N[C@@H]1CCc2c1cccc2O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000261461396 854270645 /nfs/dbraw/zinc/27/06/45/854270645.db2.gz PWFQZRWWPZUNFK-LJQANCHMSA-N 0 0 403.438 4.330 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)C[C@@H]1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000261488879 854280025 /nfs/dbraw/zinc/28/00/25/854280025.db2.gz XHBXZYBNESITDG-FXAWDEMLSA-N 0 0 410.470 4.214 20 5 HIBDRN COc1cccc([C@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2nccn2C)c1 ZINC000301069208 854286170 /nfs/dbraw/zinc/28/61/70/854286170.db2.gz DMTRPCUEBLCEKW-KRWDZBQOSA-N 0 0 417.263 4.301 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCS(=O)(=O)c1ccccc1 ZINC000301073471 854287696 /nfs/dbraw/zinc/28/76/96/854287696.db2.gz GGTHXNGFFRXCKG-UHFFFAOYSA-N 0 0 408.785 4.153 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)nc1 ZINC000301076530 854289154 /nfs/dbraw/zinc/28/91/54/854289154.db2.gz HCECKUOIDUQHFC-CYBMUJFWSA-N 0 0 408.380 4.172 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1C(F)(F)F ZINC000301095753 854295325 /nfs/dbraw/zinc/29/53/25/854295325.db2.gz VBDAUMCQWYIORC-CYBMUJFWSA-N 0 0 409.412 4.316 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NCc2ccc(F)cc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000301112802 854300313 /nfs/dbraw/zinc/30/03/13/854300313.db2.gz SIBSGQXDTDWPGF-UHFFFAOYSA-N 0 0 422.338 4.329 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@H]2CCOc3c(Cl)cccc32)c([N+](=O)[O-])c1 ZINC000301115274 854301321 /nfs/dbraw/zinc/30/13/21/854301321.db2.gz UCVWMTXTPKNPGR-HNNXBMFYSA-N 0 0 412.833 4.148 20 5 HIBDRN CCc1cc(NCc2ccc(OC)c(NC(C)=O)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301128212 854305704 /nfs/dbraw/zinc/30/57/04/854305704.db2.gz PRSFGFRNINDMLX-UHFFFAOYSA-N 0 0 421.457 4.193 20 5 HIBDRN Cc1[nH]c2ccccc2c1CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301138417 854308661 /nfs/dbraw/zinc/30/86/61/854308661.db2.gz ASYDHDQRRHQZAT-UHFFFAOYSA-N 0 0 423.860 4.238 20 5 HIBDRN CC[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000301171390 854318538 /nfs/dbraw/zinc/31/85/38/854318538.db2.gz JWFAKNYPMMACSH-JTQLQIEISA-N 0 0 409.411 4.216 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCC1N=NC(=S)N1C1CC1 ZINC000301172265 854319677 /nfs/dbraw/zinc/31/96/77/854319677.db2.gz GWMFNSASXPMCQD-UHFFFAOYSA-N 0 0 407.805 4.137 20 5 HIBDRN Cc1nc(Cc2nnc(Sc3ccc(Br)cc3[N+](=O)[O-])o2)cs1 ZINC000301197121 854325632 /nfs/dbraw/zinc/32/56/32/854325632.db2.gz UPXPJBSNIVCWTQ-UHFFFAOYSA-N 0 0 413.278 4.247 20 5 HIBDRN CC(=O)Nc1ccc(CCNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000301202417 854327643 /nfs/dbraw/zinc/32/76/43/854327643.db2.gz QAUDHHGSUMFNQE-UHFFFAOYSA-N 0 0 412.324 4.135 20 5 HIBDRN O=c1[nH]cnc2cc(NCCCc3cccc(Br)c3)c([N+](=O)[O-])cc12 ZINC000301207756 854328456 /nfs/dbraw/zinc/32/84/56/854328456.db2.gz QHUAGPMDLGWTGY-UHFFFAOYSA-N 0 0 403.236 4.051 20 5 HIBDRN Cc1cccc2[nH]cc(CCNc3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)c21 ZINC000301217145 854330409 /nfs/dbraw/zinc/33/04/09/854330409.db2.gz ZOTBTBUNKWJEBO-UHFFFAOYSA-N 0 0 423.860 4.238 20 5 HIBDRN CCc1nc(CN2CCC(CNc3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cs1 ZINC000301223127 854331954 /nfs/dbraw/zinc/33/19/54/854331954.db2.gz AAIFGDNYRWRWBQ-UHFFFAOYSA-N 0 0 411.531 4.486 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Nc2ccc(N3CCCC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000301240822 854336561 /nfs/dbraw/zinc/33/65/61/854336561.db2.gz OFMYULFLCOTTNG-UHFFFAOYSA-N 0 0 409.421 4.042 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(c3nc(-c4ccccn4)no3)CC2)c(C(F)(F)F)c1 ZINC000301237556 854336817 /nfs/dbraw/zinc/33/68/17/854336817.db2.gz DTQXVETYOYMFDT-UHFFFAOYSA-N 0 0 419.363 4.443 20 5 HIBDRN Cc1ccc(-c2nnc(Sc3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])o2)cc1 ZINC000301252607 854340359 /nfs/dbraw/zinc/34/03/59/854340359.db2.gz MWSWWLMVTGKNDJ-UHFFFAOYSA-N 0 0 421.438 4.069 20 5 HIBDRN CS(=O)(=O)c1ccc(N[C@H](Cc2ccccc2)c2cccs2)c([N+](=O)[O-])c1 ZINC000301258997 854341007 /nfs/dbraw/zinc/34/10/07/854341007.db2.gz AYNBICIITRZUHB-QGZVFWFLSA-N 0 0 402.497 4.456 20 5 HIBDRN O=C(c1cc(NC[C@@H](O)c2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301264271 854343001 /nfs/dbraw/zinc/34/30/01/854343001.db2.gz PGJKGRDOUTUBSV-GOSISDBHSA-N 0 0 424.284 4.283 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)cc1 ZINC000301268288 854343855 /nfs/dbraw/zinc/34/38/55/854343855.db2.gz MZPYLRJLAKMNIH-KRWDZBQOSA-N 0 0 419.485 4.490 20 5 HIBDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3cccnc3)n2Cc2ccco2)c(Cl)c1 ZINC000301276576 854346158 /nfs/dbraw/zinc/34/61/58/854346158.db2.gz MBDKUPJBTXYSAB-UHFFFAOYSA-N 0 0 414.834 4.089 20 5 HIBDRN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000301295703 854350843 /nfs/dbraw/zinc/35/08/43/854350843.db2.gz VPRUIMHQCYHWHY-LBPRGKRZSA-N 0 0 402.252 4.135 20 5 HIBDRN CCO[C@@H]1C[C@H](O)C12CCN(c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000301340050 854364588 /nfs/dbraw/zinc/36/45/88/854364588.db2.gz HUWOFECDRHAURS-LSDHHAIUSA-N 0 0 408.804 4.023 20 5 HIBDRN CCc1cc(NCc2cc(=O)[nH]c3ccccc23)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301347092 854366418 /nfs/dbraw/zinc/36/64/18/854366418.db2.gz KUPAAVDOOGOIMT-UHFFFAOYSA-N 0 0 401.426 4.480 20 5 HIBDRN O=C(Nc1cccc(CNc2cc(Br)ccc2[N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000301362099 854370711 /nfs/dbraw/zinc/37/07/11/854370711.db2.gz QQUJGFQMHFVVSA-QGZVFWFLSA-N 0 0 420.263 4.087 20 5 HIBDRN Cc1ccc(C[C@@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)s1 ZINC000301375082 854375431 /nfs/dbraw/zinc/37/54/31/854375431.db2.gz RSKBBQCQSUKHDW-LLVKDONJSA-N 0 0 404.879 4.207 20 5 HIBDRN CC[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000301384723 854378487 /nfs/dbraw/zinc/37/84/87/854378487.db2.gz VEJGFLBYWUPAIS-INIZCTEOSA-N 0 0 400.385 4.401 20 5 HIBDRN CC[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1nccs1 ZINC000301386839 854378902 /nfs/dbraw/zinc/37/89/02/854378902.db2.gz WIPNCEZZZCPWME-OAHLLOKOSA-N 0 0 424.548 4.179 20 5 HIBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(N2CCOC2=O)c1 ZINC000301387057 854379801 /nfs/dbraw/zinc/37/98/01/854379801.db2.gz XNKQRTPVKQWPOW-NSHDSACASA-N 0 0 406.236 4.487 20 5 HIBDRN COc1cc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)ccc1[N+](=O)[O-] ZINC000301402565 854383412 /nfs/dbraw/zinc/38/34/12/854383412.db2.gz JQRMHGKHPDUZOW-UHFFFAOYSA-N 0 0 401.426 4.463 20 5 HIBDRN Cn1cc(N2CCC[C@H](Nc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C2)cn1 ZINC000301431935 854392035 /nfs/dbraw/zinc/39/20/35/854392035.db2.gz QQIPOGMLHALKKC-JTQLQIEISA-N 0 0 403.792 4.081 20 5 HIBDRN CCOc1cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000301436476 854394228 /nfs/dbraw/zinc/39/42/28/854394228.db2.gz KDUCUEXUDJIDRJ-GOSISDBHSA-N 0 0 407.264 4.334 20 5 HIBDRN O=C(c1ccccc1F)N1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301439095 854395259 /nfs/dbraw/zinc/39/52/59/854395259.db2.gz LOZRTZHDWRUDAE-UHFFFAOYSA-N 0 0 411.355 4.105 20 5 HIBDRN O=C(C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCc2ccccc21 ZINC000301458931 854399628 /nfs/dbraw/zinc/39/96/28/854399628.db2.gz XXBIEPGTLCFUBW-UHFFFAOYSA-N 0 0 419.403 4.419 20 5 HIBDRN COc1ccc([C@H](Nc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000301467150 854401305 /nfs/dbraw/zinc/40/13/05/854401305.db2.gz MCJDMTVAKDXCOE-NRFANRHFSA-N 0 0 412.467 4.208 20 5 HIBDRN C[C@@H]1C[C@H](c2ccccc2F)N(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301474865 854403161 /nfs/dbraw/zinc/40/31/61/854403161.db2.gz RYRYNRBLGHJIPV-BDJLRTHQSA-N 0 0 414.405 4.318 20 5 HIBDRN O=C(CNc1ccc([N+](=O)[O-])c2cnccc12)N1CCC(Cc2ccccc2)CC1 ZINC000301481616 854405235 /nfs/dbraw/zinc/40/52/35/854405235.db2.gz SKNKRSGKIIZVPJ-UHFFFAOYSA-N 0 0 404.470 4.036 20 5 HIBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(NC(=O)NC2CC2)cc1 ZINC000301507348 854409644 /nfs/dbraw/zinc/40/96/44/854409644.db2.gz BUIPFTBZZJFMGB-JTQLQIEISA-N 0 0 420.267 4.209 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)c1ncc([N+](=O)[O-])cc1Cl ZINC000301536165 854415393 /nfs/dbraw/zinc/41/53/93/854415393.db2.gz APOLSMNLGHOHOW-UHFFFAOYSA-N 0 0 402.760 4.127 20 5 HIBDRN CCc1noc(-c2ccc(CCNc3ncc([N+](=O)[O-])cc3Br)cc2)n1 ZINC000301552415 854419154 /nfs/dbraw/zinc/41/91/54/854419154.db2.gz RGEJXKOQJICXFC-UHFFFAOYSA-N 0 0 418.251 4.019 20 5 HIBDRN O=[N+]([O-])c1cnc(NCCc2coc(-c3ccc(F)cc3)n2)c(Br)c1 ZINC000301563347 854420954 /nfs/dbraw/zinc/42/09/54/854420954.db2.gz UYHUCELRICEQFL-UHFFFAOYSA-N 0 0 407.199 4.201 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC(OC[C@H]2CCCO2)CC1 ZINC000301585196 854424731 /nfs/dbraw/zinc/42/47/31/854424731.db2.gz QYBZCQFEIQOSKM-GFCCVEGCSA-N 0 0 408.804 4.431 20 5 HIBDRN Cc1nc(Sc2nnc(-c3cccnc3)n2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301615635 854430477 /nfs/dbraw/zinc/43/04/77/854430477.db2.gz BPRNUYWVZXQGIK-UHFFFAOYSA-N 0 0 404.455 4.151 20 5 HIBDRN COc1cc(N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)ccc1[N+](=O)[O-] ZINC000301618238 854431528 /nfs/dbraw/zinc/43/15/28/854431528.db2.gz LBAJKGRBXQNJBZ-GFCCVEGCSA-N 0 0 416.787 4.361 20 5 HIBDRN O=C(C1CCCC1)N1CC[C@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301640052 854435329 /nfs/dbraw/zinc/43/53/29/854435329.db2.gz AYRLBKBCPRVSIQ-NSHDSACASA-N 0 0 405.804 4.470 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1Cl ZINC000301665518 854439988 /nfs/dbraw/zinc/43/99/88/854439988.db2.gz LKLYMCYMRCGINR-VOJFVSQTSA-N 0 0 408.813 4.140 20 5 HIBDRN O=C(Nc1ccc(F)cc1)c1ccc(CNc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000301671233 854442010 /nfs/dbraw/zinc/44/20/10/854442010.db2.gz QOTFIZBFVVNDNK-UHFFFAOYSA-N 0 0 411.418 4.308 20 5 HIBDRN 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ZINC000301859512 854477629 /nfs/dbraw/zinc/47/76/29/854477629.db2.gz FEEMBMWIYLDJSK-INIZCTEOSA-N 0 0 412.490 4.331 20 5 HIBDRN CN(Cc1csc(Br)c1)c1c(Br)cncc1[N+](=O)[O-] ZINC000301859167 854477648 /nfs/dbraw/zinc/47/76/48/854477648.db2.gz DAIKSDBQJAMOQA-UHFFFAOYSA-N 0 0 407.087 4.213 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000301874539 854482529 /nfs/dbraw/zinc/48/25/29/854482529.db2.gz IDWRHHMELQBJSU-UHFFFAOYSA-N 0 0 424.642 4.110 20 5 HIBDRN O=C(Oc1ccccc1)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301882957 854484090 /nfs/dbraw/zinc/48/40/90/854484090.db2.gz XLYCECBONBEYRP-UHFFFAOYSA-N 0 0 418.453 4.368 20 5 HIBDRN CC(C)(C)Oc1cc(N2CCC(C(=O)Nc3ccccc3O)CC2)ccc1[N+](=O)[O-] ZINC000301887027 854484945 /nfs/dbraw/zinc/48/49/45/854484945.db2.gz PGPCBUNJHIVKEW-UHFFFAOYSA-N 0 0 413.474 4.333 20 5 HIBDRN O=C1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCN1c1ccc(Cl)c(F)c1 ZINC000301889365 854485187 /nfs/dbraw/zinc/48/51/87/854485187.db2.gz LGYHRHSELXSQMQ-KRWDZBQOSA-N 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Cc1cc(N2CCC[C@@H](c3nnc4ccccn43)C2)c(Br)cc1[N+](=O)[O-] ZINC000302677921 854602875 /nfs/dbraw/zinc/60/28/75/854602875.db2.gz NPYGUCPFYFVMGI-CYBMUJFWSA-N 0 0 416.279 4.092 20 5 HIBDRN Cc1cc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc(C)c1Br ZINC000302714409 854611011 /nfs/dbraw/zinc/61/10/11/854611011.db2.gz LTIAUBAQILCNRD-UHFFFAOYSA-N 0 0 400.250 4.170 20 5 HIBDRN Cc1cc(N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)c(Br)cc1[N+](=O)[O-] ZINC000302717200 854611526 /nfs/dbraw/zinc/61/15/26/854611526.db2.gz YQSDJUGUQXTLOT-JTQLQIEISA-N 0 0 406.236 4.170 20 5 HIBDRN CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC000302721838 854612076 /nfs/dbraw/zinc/61/20/76/854612076.db2.gz MIJVESOUHJQWFZ-UHFFFAOYSA-N 0 0 410.902 4.261 20 5 HIBDRN Cc1cc(NCc2ccc(CN3CCCC3=O)cc2)c(Br)cc1[N+](=O)[O-] ZINC000302720373 854612198 /nfs/dbraw/zinc/61/21/98/854612198.db2.gz ZUCAJBFFEOWHFT-UHFFFAOYSA-N 0 0 418.291 4.400 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000302735046 854616628 /nfs/dbraw/zinc/61/66/28/854616628.db2.gz OKNMFKKSKFUWRQ-FQEVSTJZSA-N 0 0 419.485 4.198 20 5 HIBDRN Cc1ccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c(-n2cc(Cl)cn2)n1 ZINC000302754577 854622226 /nfs/dbraw/zinc/62/22/26/854622226.db2.gz IEIKNKLAVOVOBM-UHFFFAOYSA-N 0 0 409.780 4.351 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000302772811 854629915 /nfs/dbraw/zinc/62/99/15/854629915.db2.gz NMWLMYRNHOCLSO-GJZGRUSLSA-N 0 0 417.893 4.418 20 5 HIBDRN COC(=O)c1cnc(Nc2cccc(C[S@](=O)C3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000302778140 854631469 /nfs/dbraw/zinc/63/14/69/854631469.db2.gz PUTPYHHJRXCWIE-LJAQVGFWSA-N 0 0 417.487 4.101 20 5 HIBDRN CC[C@@H](C(=O)N1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1)c1ccccc1 ZINC000302805677 854639682 /nfs/dbraw/zinc/63/96/82/854639682.db2.gz FRIZWNWWJGPOFS-GOSISDBHSA-N 0 0 408.502 4.160 20 5 HIBDRN CCn1cc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000302849058 854655415 /nfs/dbraw/zinc/65/54/15/854655415.db2.gz TZYPMMISHXEXGI-IBGZPJMESA-N 0 0 423.469 4.382 20 5 HIBDRN O=[N+]([O-])c1ccc(I)c(Oc2ncnc3c(F)cccc23)c1 ZINC000302866255 854661557 /nfs/dbraw/zinc/66/15/57/854661557.db2.gz YOTUFDHSDUTKAT-UHFFFAOYSA-N 0 0 411.130 4.074 20 5 HIBDRN COc1ccc([C@H](C)NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1F ZINC000302911909 854676457 /nfs/dbraw/zinc/67/64/57/854676457.db2.gz PDUXRQIHZJJAGO-JTQLQIEISA-N 0 0 400.353 4.203 20 5 HIBDRN COc1cc([C@H]2Nc3ccccc3C(=O)N2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000302915781 854678257 /nfs/dbraw/zinc/67/82/57/854678257.db2.gz XGLCVVPDUMLLSP-QFIPXVFZSA-N 0 0 419.437 4.379 20 5 HIBDRN CCOC(=O)c1cc(C)sc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000302931861 854684519 /nfs/dbraw/zinc/68/45/19/854684519.db2.gz GXXATZQEIXAAHY-UHFFFAOYSA-N 0 0 420.490 4.340 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1OCC ZINC000303072389 854748811 /nfs/dbraw/zinc/74/88/11/854748811.db2.gz PONWQSCXOZUQMC-HNNXBMFYSA-N 0 0 424.457 4.069 20 5 HIBDRN COc1ccccc1N1CC[C@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000303099805 854759769 /nfs/dbraw/zinc/75/97/69/854759769.db2.gz KQMVKKCYYFUWFJ-MRXNPFEDSA-N 0 0 411.502 4.157 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](c2cccc(Cl)c2)N2CCOCC2)c2ncccc12 ZINC000303109959 854765414 /nfs/dbraw/zinc/76/54/14/854765414.db2.gz BIDOJFLBIODLOQ-HXUWFJFHSA-N 0 0 412.877 4.282 20 5 HIBDRN O=C(NC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000303118406 854768846 /nfs/dbraw/zinc/76/88/46/854768846.db2.gz HWYDQMPXLKNYRC-MRXNPFEDSA-N 0 0 416.865 4.065 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000303118996 854769187 /nfs/dbraw/zinc/76/91/87/854769187.db2.gz IAFVQCFZLMMGIE-HNNXBMFYSA-N 0 0 422.441 4.139 20 5 HIBDRN Cc1ccc(Br)cc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303494950 854983643 /nfs/dbraw/zinc/98/36/43/854983643.db2.gz SZXIOYZDEGETMF-UHFFFAOYSA-N 0 0 402.204 4.172 20 5 HIBDRN Cc1sc(C(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000303494311 854983761 /nfs/dbraw/zinc/98/37/61/854983761.db2.gz QIOOLKQVGJLYFY-UHFFFAOYSA-N 0 0 416.480 4.191 20 5 HIBDRN CCOC[C@@H]1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000303565595 855044157 /nfs/dbraw/zinc/04/41/57/855044157.db2.gz INFAFHJFYOMSNH-IAGOWNOFSA-N 0 0 412.490 4.052 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000437354990 862634403 /nfs/dbraw/zinc/63/44/03/862634403.db2.gz JELJVRFECQLIGK-GOEBONIOSA-N 0 0 409.667 4.226 20 5 HIBDRN Cc1c(C(=O)Nc2cccc(Nc3ccccc3)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000303580016 855054757 /nfs/dbraw/zinc/05/47/57/855054757.db2.gz QSGQPWMVFOSTSK-UHFFFAOYSA-N 0 0 414.425 4.480 20 5 HIBDRN O=C(Nc1cccc(Nc2ccccc2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000303587427 855061016 /nfs/dbraw/zinc/06/10/16/855061016.db2.gz TWFGXMLTVCGDCK-UHFFFAOYSA-N 0 0 400.398 4.171 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000303598696 855069264 /nfs/dbraw/zinc/06/92/64/855069264.db2.gz WYCULCJFYAGKPB-MRXNPFEDSA-N 0 0 407.474 4.249 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000303599919 855070440 /nfs/dbraw/zinc/07/04/40/855070440.db2.gz JSOCRGJLUCYJMI-GDLZYMKVSA-N 0 0 410.451 4.164 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000303616604 855079551 /nfs/dbraw/zinc/07/95/51/855079551.db2.gz CLAWUBGHTZDRGE-GDLZYMKVSA-N 0 0 416.499 4.437 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1)C(C)C ZINC000303624573 855084899 /nfs/dbraw/zinc/08/48/99/855084899.db2.gz DSLRLLOUNDRBNY-UHFFFAOYSA-N 0 0 424.501 4.204 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c1C ZINC000303676828 855126181 /nfs/dbraw/zinc/12/61/81/855126181.db2.gz JBKPUEJVHNKQIX-HHHXNRCGSA-N 0 0 424.544 4.060 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c1 ZINC000303703021 855141823 /nfs/dbraw/zinc/14/18/23/855141823.db2.gz OOKKZBHEBFHXNK-SSEXGKCCSA-N 0 0 424.478 4.305 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000303713363 855147531 /nfs/dbraw/zinc/14/75/31/855147531.db2.gz QIZDXYZQMVVACY-OAHLLOKOSA-N 0 0 418.457 4.202 20 5 HIBDRN COc1ccc(CSCC(=O)NCC2(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000303789834 855199597 /nfs/dbraw/zinc/19/95/97/855199597.db2.gz JSKLNVDIHCOOTQ-UHFFFAOYSA-N 0 0 420.918 4.338 20 5 HIBDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437365505 862654069 /nfs/dbraw/zinc/65/40/69/862654069.db2.gz OVDPTDBLAYVJKB-UHFFFAOYSA-N 0 0 404.291 4.487 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3n[nH]c(-c4ccc5c(c4)CCC5)n3)o2)cc1 ZINC000303934448 855302054 /nfs/dbraw/zinc/30/20/54/855302054.db2.gz RHNFPINFHQUFIR-UHFFFAOYSA-N 0 0 420.454 4.211 20 5 HIBDRN CC(C)[C@@H](NC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000303955733 855318436 /nfs/dbraw/zinc/31/84/36/855318436.db2.gz XERIMZIZPKZLKX-GOSISDBHSA-N 0 0 407.264 4.250 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000303958259 855320605 /nfs/dbraw/zinc/32/06/05/855320605.db2.gz LOXPOCCEHSMHIC-INIZCTEOSA-N 0 0 402.516 4.201 20 5 HIBDRN Cc1csc([C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)n1 ZINC000304029845 855342329 /nfs/dbraw/zinc/34/23/29/855342329.db2.gz MQRWQWYAIWNSIV-HNNXBMFYSA-N 0 0 400.485 4.364 20 5 HIBDRN Cc1ccc(Br)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000316977669 855380782 /nfs/dbraw/zinc/38/07/82/855380782.db2.gz RRTJAEXTNQDMQA-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1cc(Br)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000317406268 855382272 /nfs/dbraw/zinc/38/22/72/855382272.db2.gz ITBRYCDSPLPNFI-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)c(Br)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000323615662 855395636 /nfs/dbraw/zinc/39/56/36/855395636.db2.gz LYOOABLJQIVJCI-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN Cn1cnnc1Sc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437373156 862675552 /nfs/dbraw/zinc/67/55/52/862675552.db2.gz ZFSBNZBAZKUBMH-UHFFFAOYSA-N 0 0 423.376 4.146 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(I)ccc2Cl)ccc1[N+](=O)[O-] ZINC000385947530 855441647 /nfs/dbraw/zinc/44/16/47/855441647.db2.gz SSCFIJJADHZLST-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN COC(=O)c1ccccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000409468512 855495489 /nfs/dbraw/zinc/49/54/89/855495489.db2.gz DCOXHMKTQXWBPK-CQSZACIVSA-N 0 0 420.425 4.202 20 5 HIBDRN COc1cccc(Oc2ccc(CNC(=O)Nc3cc([N+](=O)[O-])ccc3OC)cn2)c1 ZINC000409498121 855509897 /nfs/dbraw/zinc/50/98/97/855509897.db2.gz DEOGAXLAWBXWHI-UHFFFAOYSA-N 0 0 424.413 4.121 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000409663058 855590779 /nfs/dbraw/zinc/59/07/79/855590779.db2.gz IFAQXYBWVOTYIN-AWEZNQCLSA-N 0 0 423.498 4.205 20 5 HIBDRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)c1ncc([N+](=O)[O-])cc1Cl ZINC000409664696 855591733 /nfs/dbraw/zinc/59/17/33/855591733.db2.gz HDHIUWDPTMSSCT-UHFFFAOYSA-N 0 0 417.680 4.093 20 5 HIBDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000437383751 862697895 /nfs/dbraw/zinc/69/78/95/862697895.db2.gz YCKGROIUGDAOSA-GFCCVEGCSA-N 0 0 421.375 4.304 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1 ZINC000409701960 855609983 /nfs/dbraw/zinc/60/99/83/855609983.db2.gz RLKREQFKBGQZAP-JTQLQIEISA-N 0 0 411.199 4.082 20 5 HIBDRN CCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000409810968 855666360 /nfs/dbraw/zinc/66/63/60/855666360.db2.gz JTOMIGANFVBOAP-UHFFFAOYSA-N 0 0 413.352 4.343 20 5 HIBDRN O=C(CCn1c2ccccc2nc1NCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000409864682 855694268 /nfs/dbraw/zinc/69/42/68/855694268.db2.gz OQXZRXKYJCNBRZ-UHFFFAOYSA-N 0 0 415.453 4.585 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000410044574 855796578 /nfs/dbraw/zinc/79/65/78/855796578.db2.gz LGLXEIKPZBRUGH-QHCPKHFHSA-N 0 0 418.449 4.448 20 5 HIBDRN COc1cc(C(=O)NC2CC(C)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000410079654 855810815 /nfs/dbraw/zinc/81/08/15/855810815.db2.gz YVFBBAQPNIMNON-UHFFFAOYSA-N 0 0 406.385 4.055 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000410132484 855833412 /nfs/dbraw/zinc/83/34/12/855833412.db2.gz DFPVNVCSFRGKTL-GOSISDBHSA-N 0 0 420.872 4.024 20 5 HIBDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000410146057 855837908 /nfs/dbraw/zinc/83/79/08/855837908.db2.gz SJHBBDWXWJWZKZ-SHTZXODSSA-N 0 0 403.276 4.271 20 5 HIBDRN C[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000410151931 855840447 /nfs/dbraw/zinc/84/04/47/855840447.db2.gz UDUMKUOSNYKWRU-AWEZNQCLSA-N 0 0 422.407 4.206 20 5 HIBDRN O=C(Nc1ccc(-c2cncnc2)cn1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000410160157 855844032 /nfs/dbraw/zinc/84/40/32/855844032.db2.gz SFTLMSKNPTWXOE-UHFFFAOYSA-N 0 0 412.409 4.443 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000410187630 855855319 /nfs/dbraw/zinc/85/53/19/855855319.db2.gz DVINDNYHKJJWKD-UHFFFAOYSA-N 0 0 402.357 4.157 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000410236092 855875000 /nfs/dbraw/zinc/87/50/00/855875000.db2.gz ZMABKWZBZNZBNC-CZUORRHYSA-N 0 0 403.866 4.015 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000410258292 855885930 /nfs/dbraw/zinc/88/59/30/855885930.db2.gz PVJYKZBUVVAHLO-CYBMUJFWSA-N 0 0 422.407 4.166 20 5 HIBDRN C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H](c2ccccc2)CO1 ZINC000437397137 862738411 /nfs/dbraw/zinc/73/84/11/862738411.db2.gz YVRVVFPLJFLUBO-MHECFPHRSA-N 0 0 412.489 4.143 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3ccc(Br)cc3)CC2)c1 ZINC000410409255 855981714 /nfs/dbraw/zinc/98/17/14/855981714.db2.gz WNVROOLVZYZMNX-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN O=C(NCc1ncoc1-c1ccccc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425934362 856007771 /nfs/dbraw/zinc/00/77/71/856007771.db2.gz BJWPBPRDPHHTOM-UHFFFAOYSA-N 0 0 420.347 4.268 20 5 HIBDRN COc1ccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1Cl ZINC000425940435 856010599 /nfs/dbraw/zinc/01/05/99/856010599.db2.gz WXAVUKRDHBRCSN-UHFFFAOYSA-N 0 0 417.771 4.275 20 5 HIBDRN O=C(NCCCc1nc2c(s1)CCCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000425970682 856023357 /nfs/dbraw/zinc/02/33/57/856023357.db2.gz ICLOVXIIVXRIGJ-UHFFFAOYSA-N 0 0 414.531 4.237 20 5 HIBDRN O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426010952 856045053 /nfs/dbraw/zinc/04/50/53/856045053.db2.gz QYKUFAUZNFPIQF-JOCHJYFZSA-N 0 0 423.469 4.191 20 5 HIBDRN C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Oc1ccccc1F ZINC000426022263 856052783 /nfs/dbraw/zinc/05/27/83/856052783.db2.gz LHRVIVYVFWQZDQ-LLVKDONJSA-N 0 0 415.343 4.019 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000426041875 856066770 /nfs/dbraw/zinc/06/67/70/856066770.db2.gz AIVXYNBYQWUQOJ-OAHLLOKOSA-N 0 0 413.474 4.437 20 5 HIBDRN CC(C)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccnc1 ZINC000426042871 856068025 /nfs/dbraw/zinc/06/80/25/856068025.db2.gz LYXAYDCMRIBTNZ-QGZVFWFLSA-N 0 0 410.396 4.248 20 5 HIBDRN C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000426045258 856069030 /nfs/dbraw/zinc/06/90/30/856069030.db2.gz VMVUADLMPMDEPA-VIFPVBQESA-N 0 0 403.307 4.452 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000426085071 856097090 /nfs/dbraw/zinc/09/70/90/856097090.db2.gz NFLCQMQETROPNK-UHFFFAOYSA-N 0 0 401.810 4.059 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000426197527 856170136 /nfs/dbraw/zinc/17/01/36/856170136.db2.gz CVUCCHKGLVFZQU-MAUKXSAKSA-N 0 0 423.391 4.191 20 5 HIBDRN C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(F)c1F ZINC000426198752 856171293 /nfs/dbraw/zinc/17/12/93/856171293.db2.gz MGDFXLHOLSKPKA-SECBINFHSA-N 0 0 403.307 4.452 20 5 HIBDRN Cc1cccc2c1OCC[C@H]2NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426209573 856177137 /nfs/dbraw/zinc/17/71/37/856177137.db2.gz TTWDMNDEYMOFBU-MRXNPFEDSA-N 0 0 409.364 4.245 20 5 HIBDRN COC1CCC(CCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000426233814 856192607 /nfs/dbraw/zinc/19/26/07/856192607.db2.gz VYIXALHHLMRPDT-UHFFFAOYSA-N 0 0 403.401 4.008 20 5 HIBDRN O=C(NCCc1ccc(F)c(F)c1F)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426236320 856193989 /nfs/dbraw/zinc/19/39/89/856193989.db2.gz FPAJCFFASRMMLS-UHFFFAOYSA-N 0 0 421.297 4.073 20 5 HIBDRN O=C(NCc1cccnc1OC1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426244217 856198992 /nfs/dbraw/zinc/19/89/92/856198992.db2.gz HFQISEXVIBJNCB-UHFFFAOYSA-N 0 0 410.474 4.185 20 5 HIBDRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426255886 856205127 /nfs/dbraw/zinc/20/51/27/856205127.db2.gz JSHGEJWVGFQUHG-GFCCVEGCSA-N 0 0 413.318 4.486 20 5 HIBDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426259975 856207183 /nfs/dbraw/zinc/20/71/83/856207183.db2.gz CJLHOEXREOLMBL-PXAZEXFGSA-N 0 0 408.380 4.301 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(OC2CCCC2)CC1 ZINC000426270525 856212594 /nfs/dbraw/zinc/21/25/94/856212594.db2.gz IVFLDQXDAZBKIT-UHFFFAOYSA-N 0 0 415.412 4.247 20 5 HIBDRN O=C(NCCc1coc(-c2ccc(F)cc2)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426282537 856219794 /nfs/dbraw/zinc/21/97/94/856219794.db2.gz IYNJLMIMDDBDGD-UHFFFAOYSA-N 0 0 424.432 4.306 20 5 HIBDRN CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H](C)Cc1ccsc1 ZINC000426292198 856224636 /nfs/dbraw/zinc/22/46/36/856224636.db2.gz DOQQFXUXFKAMHQ-INIZCTEOSA-N 0 0 401.532 4.352 20 5 HIBDRN CC(C)CN(C(=O)c1cc([N+](=O)[O-])nn1C)C(C)(C)c1ccc(Br)cc1 ZINC000426296558 856228229 /nfs/dbraw/zinc/22/82/29/856228229.db2.gz SLIMZEIJMFFROS-UHFFFAOYSA-N 0 0 423.311 4.124 20 5 HIBDRN C[C@@H](c1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@H]1OCCc2sccc21 ZINC000426435744 856289298 /nfs/dbraw/zinc/28/92/98/856289298.db2.gz DTNYWMOMTQAFSZ-KZULUSFZSA-N 0 0 400.460 4.111 20 5 HIBDRN O=C(N[C@@H]1CCc2c1cccc2O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426449763 856296949 /nfs/dbraw/zinc/29/69/49/856296949.db2.gz VNJLUGJVTYDXQU-HXUWFJFHSA-N 0 0 404.422 4.297 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)SCc2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000426547315 856342367 /nfs/dbraw/zinc/34/23/67/856342367.db2.gz ZROCMUATLHZRKA-NSHDSACASA-N 0 0 412.414 4.465 20 5 HIBDRN CC1(C)C(=O)Nc2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc21 ZINC000426596397 856365034 /nfs/dbraw/zinc/36/50/34/856365034.db2.gz TUCJDRZUFWNTGO-UHFFFAOYSA-N 0 0 408.439 4.200 20 5 HIBDRN CC(C)(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccc(Br)c1 ZINC000426610825 856372434 /nfs/dbraw/zinc/37/24/34/856372434.db2.gz OFLVXAQAUDSPNU-UHFFFAOYSA-N 0 0 403.276 4.220 20 5 HIBDRN CC[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000426634678 856385442 /nfs/dbraw/zinc/38/54/42/856385442.db2.gz OZMWSBUVJDLKCY-MRXNPFEDSA-N 0 0 408.458 4.038 20 5 HIBDRN COc1ccc(CSCC(=O)N2Cc3ccccc3OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000426636662 856387134 /nfs/dbraw/zinc/38/71/34/856387134.db2.gz ALSJRRMMGRLHAE-UHFFFAOYSA-N 0 0 416.499 4.036 20 5 HIBDRN CCCC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426647230 856392532 /nfs/dbraw/zinc/39/25/32/856392532.db2.gz ORFABXLQSDAPKG-HXUWFJFHSA-N 0 0 408.458 4.181 20 5 HIBDRN Cc1ccc(C[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])cc1 ZINC000426659228 856398355 /nfs/dbraw/zinc/39/83/55/856398355.db2.gz CPOPATBOXSNPQL-KRWDZBQOSA-N 0 0 411.483 4.060 20 5 HIBDRN CC(C)CC[C@@](C)(O)CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426677060 856408080 /nfs/dbraw/zinc/40/80/80/856408080.db2.gz IXTTVNQFHGCIFH-JOCHJYFZSA-N 0 0 400.475 4.091 20 5 HIBDRN Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000426730716 856439260 /nfs/dbraw/zinc/43/92/60/856439260.db2.gz LZQBTHGMAGIBLZ-SFHVURJKSA-N 0 0 421.375 4.189 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000426731937 856441023 /nfs/dbraw/zinc/44/10/23/856441023.db2.gz QZSFZMFXQDNYQK-FWXSHLFISA-N 0 0 413.396 4.030 20 5 HIBDRN CC(C)(C)OC(=O)[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000426882564 856526096 /nfs/dbraw/zinc/52/60/96/856526096.db2.gz OJOVVZORMLPIND-NSHDSACASA-N 0 0 422.279 4.074 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000426900478 856533709 /nfs/dbraw/zinc/53/37/09/856533709.db2.gz HWPBXCDWJZYQQE-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CC[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC000426907211 856537037 /nfs/dbraw/zinc/53/70/37/856537037.db2.gz NSXCJDODBVTGSF-KRWDZBQOSA-N 0 0 418.881 4.208 20 5 HIBDRN Cc1ccsc1[C@H](CO)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426930858 856547622 /nfs/dbraw/zinc/54/76/22/856547622.db2.gz FRWQKORZNUEKFX-SFHVURJKSA-N 0 0 412.467 4.007 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000426945752 856555889 /nfs/dbraw/zinc/55/58/89/856555889.db2.gz PKGPXKNCGQBYOK-FQEVSTJZSA-N 0 0 400.818 4.298 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000426955932 856562506 /nfs/dbraw/zinc/56/25/06/856562506.db2.gz SONLHOOEUQXJID-JOCHJYFZSA-N 0 0 409.442 4.294 20 5 HIBDRN O=C(N[C@H](CCCO)c1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427043103 856607839 /nfs/dbraw/zinc/60/78/39/856607839.db2.gz GCMVPFMGBWAUEJ-JOCHJYFZSA-N 0 0 420.465 4.417 20 5 HIBDRN C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC000427054614 856612632 /nfs/dbraw/zinc/61/26/32/856612632.db2.gz OGLNMHSARUIUSB-KRWDZBQOSA-N 0 0 418.449 4.104 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCO[C@H](c2cccs2)C1 ZINC000427150207 856670939 /nfs/dbraw/zinc/67/09/39/856670939.db2.gz NHBKPQVPOZIRFD-FQEVSTJZSA-N 0 0 424.478 4.449 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)C[C@H](C)O1 ZINC000437460883 862823450 /nfs/dbraw/zinc/82/34/50/862823450.db2.gz SISUTQZFJXSSIK-HDICACEKSA-N 0 0 423.513 4.009 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000427172889 856689414 /nfs/dbraw/zinc/68/94/14/856689414.db2.gz UAECBUMVQBLUQC-SFHVURJKSA-N 0 0 404.507 4.083 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(CCc3ccccc3)ccn2)cc1OC ZINC000427196104 856706632 /nfs/dbraw/zinc/70/66/32/856706632.db2.gz DQNIQYOEVDKXKO-UHFFFAOYSA-N 0 0 421.453 4.435 20 5 HIBDRN CCCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@H](C)c1ccccc1Br ZINC000427249924 856735758 /nfs/dbraw/zinc/73/57/58/856735758.db2.gz PJBXGRPTNGTPAL-GFCCVEGCSA-N 0 0 409.284 4.187 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000427285413 856751456 /nfs/dbraw/zinc/75/14/56/856751456.db2.gz VZXUSTIDAQHRMT-UHFFFAOYSA-N 0 0 404.272 4.059 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000437472192 862834119 /nfs/dbraw/zinc/83/41/19/862834119.db2.gz XWKPJKUSXIHFDV-RUCARUNLSA-N 0 0 418.443 4.495 20 5 HIBDRN O=C(CCCc1nc(-c2cccs2)no1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437472200 862834193 /nfs/dbraw/zinc/83/41/93/862834193.db2.gz XXGDWMAPGUVUCA-UHFFFAOYSA-N 0 0 412.471 4.220 20 5 HIBDRN CCC1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000427343163 856781625 /nfs/dbraw/zinc/78/16/25/856781625.db2.gz ADDNBUZYNADMPL-UHFFFAOYSA-N 0 0 404.470 4.296 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C(C)C)n1 ZINC000427344739 856783303 /nfs/dbraw/zinc/78/33/03/856783303.db2.gz BBQYCCHTEJNDHS-UHFFFAOYSA-N 0 0 402.842 4.026 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)c(C)c2)c2ccccc2Cl)n1 ZINC000427377339 856801130 /nfs/dbraw/zinc/80/11/30/856801130.db2.gz XSJCANLBRUURJO-SFHVURJKSA-N 0 0 416.840 4.432 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(Br)c3)CCCCC2)n1 ZINC000427377916 856801146 /nfs/dbraw/zinc/80/11/46/856801146.db2.gz SMDRILDYNIAWND-UHFFFAOYSA-N 0 0 421.295 4.163 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000427381356 856801630 /nfs/dbraw/zinc/80/16/30/856801630.db2.gz FZIZMTQTWZDUBB-GFCCVEGCSA-N 0 0 411.277 4.405 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000427380639 856801785 /nfs/dbraw/zinc/80/17/85/856801785.db2.gz XRCKFTOBZCAMBO-IIBYNOLFSA-N 0 0 404.470 4.030 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000427390372 856803865 /nfs/dbraw/zinc/80/38/65/856803865.db2.gz JKCKFBFAVNYWQO-HUUCEWRRSA-N 0 0 410.396 4.238 20 5 HIBDRN CCn1ncc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1-c1ccccc1 ZINC000427390035 856804070 /nfs/dbraw/zinc/80/40/70/856804070.db2.gz JVGZPMXGQJDHGJ-UHFFFAOYSA-N 0 0 401.426 4.009 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)n1 ZINC000427458533 856829966 /nfs/dbraw/zinc/82/99/66/856829966.db2.gz YWGXEGWIWCJPQU-UHFFFAOYSA-N 0 0 421.335 4.270 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(C)cnn1[C@H]1CCCc2ccccc21 ZINC000427462152 856830873 /nfs/dbraw/zinc/83/08/73/856830873.db2.gz ISICYLJJRWOTAG-IBGZPJMESA-N 0 0 406.442 4.286 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000437482902 862841312 /nfs/dbraw/zinc/84/13/12/862841312.db2.gz FBTOGYJAIXQXOE-AOMKIAJQSA-N 0 0 421.453 4.055 20 5 HIBDRN COc1ccc(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1[N+](=O)[O-] ZINC000427591340 856880289 /nfs/dbraw/zinc/88/02/89/856880289.db2.gz JILAYSMXDWUNHU-UHFFFAOYSA-N 0 0 403.438 4.470 20 5 HIBDRN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000427596262 856882124 /nfs/dbraw/zinc/88/21/24/856882124.db2.gz IEZWQBUVBXSIGP-IBGZPJMESA-N 0 0 413.865 4.111 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C ZINC000427595490 856882144 /nfs/dbraw/zinc/88/21/44/856882144.db2.gz VQZDQJYBHDFMIN-OAHLLOKOSA-N 0 0 411.458 4.179 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)c2cccc3ccccc32)n1 ZINC000427603548 856885055 /nfs/dbraw/zinc/88/50/55/856885055.db2.gz VISBOBOYVXZEPL-NRFANRHFSA-N 0 0 400.438 4.484 20 5 HIBDRN CSc1cccc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c1[N+](=O)[O-] ZINC000427749210 856937198 /nfs/dbraw/zinc/93/71/98/856937198.db2.gz RZDVMNCJAMZDNI-UHFFFAOYSA-N 0 0 404.463 4.277 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000437498306 862853212 /nfs/dbraw/zinc/85/32/12/862853212.db2.gz PWSWHEDBOYLURI-UHFFFAOYSA-N 0 0 422.268 4.340 20 5 HIBDRN O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000427784603 856953180 /nfs/dbraw/zinc/95/31/80/856953180.db2.gz YZEYKXWPDWKZDO-UHFFFAOYSA-N 0 0 411.324 4.189 20 5 HIBDRN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C2CC2)o1 ZINC000427911214 857003238 /nfs/dbraw/zinc/00/32/38/857003238.db2.gz ZVILEHOWRKNJHG-KSSFIOAISA-N 0 0 421.453 4.429 20 5 HIBDRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427915496 857005618 /nfs/dbraw/zinc/00/56/18/857005618.db2.gz KEPVYRSHCRXMDV-CQSZACIVSA-N 0 0 405.410 4.488 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(OC(F)(F)F)c1 ZINC000427915702 857005711 /nfs/dbraw/zinc/00/57/11/857005711.db2.gz QDIIKSAEBNPHHX-UHFFFAOYSA-N 0 0 407.304 4.059 20 5 HIBDRN CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000427919426 857007875 /nfs/dbraw/zinc/00/78/75/857007875.db2.gz WXAWOAWOWYEFPC-INIZCTEOSA-N 0 0 421.291 4.079 20 5 HIBDRN CN(CCC1CC1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000437518184 862863827 /nfs/dbraw/zinc/86/38/27/862863827.db2.gz TXEFLEDPDPIHSG-UHFFFAOYSA-N 0 0 404.470 4.249 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCc1cc(Cl)cc(Cl)c1 ZINC000428017218 857042215 /nfs/dbraw/zinc/04/22/15/857042215.db2.gz LSKNDCTUTYWSSF-UHFFFAOYSA-N 0 0 420.252 4.188 20 5 HIBDRN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CC[C@](O)(C2CC2)C1 ZINC000428163834 857093114 /nfs/dbraw/zinc/09/31/14/857093114.db2.gz VLKSVULEFXZRCO-HXUWFJFHSA-N 0 0 418.902 4.386 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CCCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437542775 862876152 /nfs/dbraw/zinc/87/61/52/862876152.db2.gz YYCQKGLXAOCRTJ-UHFFFAOYSA-N 0 0 422.485 4.417 20 5 HIBDRN Cc1ccc(C)c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000428364999 857175213 /nfs/dbraw/zinc/17/52/13/857175213.db2.gz AQBAOHODWNRIJO-UHFFFAOYSA-N 0 0 402.394 4.051 20 5 HIBDRN Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000437559268 862885672 /nfs/dbraw/zinc/88/56/72/862885672.db2.gz ROIILKKMDPLTRZ-UHFFFAOYSA-N 0 0 419.397 4.336 20 5 HIBDRN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@@H]1c1ccccc1 ZINC000437574643 862893813 /nfs/dbraw/zinc/89/38/13/862893813.db2.gz DESHEZAUCLKUDA-AUUYWEPGSA-N 0 0 408.483 4.492 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000428587614 857272601 /nfs/dbraw/zinc/27/26/01/857272601.db2.gz AKCHNNZQQIFEOB-GFCCVEGCSA-N 0 0 415.833 4.397 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000428606113 857277081 /nfs/dbraw/zinc/27/70/81/857277081.db2.gz WKPDCTRTNGZLNQ-LBPRGKRZSA-N 0 0 415.833 4.397 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H]2CCO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000428613974 857278886 /nfs/dbraw/zinc/27/88/86/857278886.db2.gz VJFALUANSSAFOT-OAHLLOKOSA-N 0 0 420.849 4.036 20 5 HIBDRN Cc1sc2nc(CN3CCCC3)nc(Oc3ccc([N+](=O)[O-])c(CO)c3)c2c1C ZINC000428660243 857292342 /nfs/dbraw/zinc/29/23/42/857292342.db2.gz BFEGKBJUPKAGRI-UHFFFAOYSA-N 0 0 414.487 4.097 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC[C@@H]1O ZINC000428669287 857293824 /nfs/dbraw/zinc/29/38/24/857293824.db2.gz PLWMOVOQFODROO-WBMJQRKESA-N 0 0 406.891 4.242 20 5 HIBDRN CCOC(=O)c1csc(C2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)n1 ZINC000428672798 857294340 /nfs/dbraw/zinc/29/43/40/857294340.db2.gz YVPIIUINTYPDKN-UHFFFAOYSA-N 0 0 405.476 4.011 20 5 HIBDRN COc1ccc(Br)c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000428706599 857304133 /nfs/dbraw/zinc/30/41/33/857304133.db2.gz FVPHEHNHAKPNSH-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN CCOc1nc(C(F)(F)F)ccc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000428780351 857335142 /nfs/dbraw/zinc/33/51/42/857335142.db2.gz DZXXJGKHDBENQR-UHFFFAOYSA-N 0 0 409.364 4.212 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000428895426 857397926 /nfs/dbraw/zinc/39/79/26/857397926.db2.gz PHXLNLXANOZARM-WMLDXEAASA-N 0 0 417.437 4.483 20 5 HIBDRN COC[C@@H](C)Nc1ccccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000437602355 862917268 /nfs/dbraw/zinc/91/72/68/862917268.db2.gz MLMAIRPOYNMUMM-CYBMUJFWSA-N 0 0 412.471 4.417 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N2CCC(c3ncccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000429219978 857561058 /nfs/dbraw/zinc/56/10/58/857561058.db2.gz CULGKMDLTOTNMO-AWEZNQCLSA-N 0 0 402.882 4.158 20 5 HIBDRN CC(C)(NCc1csc(CC(=O)Nc2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000429228389 857564635 /nfs/dbraw/zinc/56/46/35/857564635.db2.gz CGJGKMVUTJYMLU-UHFFFAOYSA-N 0 0 410.499 4.257 20 5 HIBDRN CC(C)(c1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1)C(F)(F)F ZINC000429239826 857568830 /nfs/dbraw/zinc/56/88/30/857568830.db2.gz VKOOERWVZPTVCK-UHFFFAOYSA-N 0 0 419.363 4.268 20 5 HIBDRN CC(C)(NCC(=O)N[C@@H](c1cccs1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429241818 857570437 /nfs/dbraw/zinc/57/04/37/857570437.db2.gz ZBPTTYAYOJCSOR-OAQYLSRUSA-N 0 0 409.511 4.387 20 5 HIBDRN C[C@@H](CNc1ccccc1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000429264085 857581885 /nfs/dbraw/zinc/58/18/85/857581885.db2.gz OBZREUHBIVNVHI-KRWDZBQOSA-N 0 0 405.454 4.404 20 5 HIBDRN CCCc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cnn1-c1ccc(F)cc1 ZINC000429344229 857612068 /nfs/dbraw/zinc/61/20/68/857612068.db2.gz ICQRDHJNAMNFDM-UHFFFAOYSA-N 0 0 400.385 4.192 20 5 HIBDRN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(F)(F)F ZINC000429596077 857779758 /nfs/dbraw/zinc/77/97/58/857779758.db2.gz WIZGHESCVZCXBF-OAHLLOKOSA-N 0 0 412.393 4.193 20 5 HIBDRN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000429603624 857785677 /nfs/dbraw/zinc/78/56/77/857785677.db2.gz GNOQSFNCBWJBLQ-MRXNPFEDSA-N 0 0 412.412 4.276 20 5 HIBDRN CCCc1c(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cnn1-c1ccc(F)cc1 ZINC000429612025 857793032 /nfs/dbraw/zinc/79/30/32/857793032.db2.gz PZBVKCDNVPLZMJ-UHFFFAOYSA-N 0 0 423.448 4.462 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1ccc([N+](=O)[O-])cc1OC ZINC000429799854 857889411 /nfs/dbraw/zinc/88/94/11/857889411.db2.gz GUYXTEORBCBALP-UHFFFAOYSA-N 0 0 413.474 4.240 20 5 HIBDRN O=C(NCCCc1nc2c(s1)CCCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429801500 857889469 /nfs/dbraw/zinc/88/94/69/857889469.db2.gz MEAMINBODFJOSE-UHFFFAOYSA-N 0 0 424.320 4.055 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000429830292 857900411 /nfs/dbraw/zinc/90/04/11/857900411.db2.gz PUXMEJMCZIXJLN-SECBINFHSA-N 0 0 419.684 4.050 20 5 HIBDRN Cn1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])nc2cc(Cl)ccc21 ZINC000429843715 857907148 /nfs/dbraw/zinc/90/71/48/857907148.db2.gz WBVRKGMNIUTSTD-UHFFFAOYSA-N 0 0 409.627 4.150 20 5 HIBDRN O=C(NCCCCOCCc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429844000 857907524 /nfs/dbraw/zinc/90/75/24/857907524.db2.gz HTKSMFFZIQVJDF-UHFFFAOYSA-N 0 0 421.291 4.127 20 5 HIBDRN Cc1nc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)ccc1[N+](=O)[O-] ZINC000429861864 857915059 /nfs/dbraw/zinc/91/50/59/857915059.db2.gz BYBUAPWBHMVXEG-UHFFFAOYSA-N 0 0 401.835 4.145 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429869146 857920232 /nfs/dbraw/zinc/92/02/32/857920232.db2.gz GTZHUJAWBCNMBK-RDTXWAMCSA-N 0 0 419.275 4.255 20 5 HIBDRN COCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000429966942 857973432 /nfs/dbraw/zinc/97/34/32/857973432.db2.gz RGNIAWBSEGATBE-ZDUSSCGKSA-N 0 0 407.264 4.207 20 5 HIBDRN COc1ccccc1-n1nccc1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000430023468 858001069 /nfs/dbraw/zinc/00/10/69/858001069.db2.gz ONUPWFOJRCVWDG-UHFFFAOYSA-N 0 0 406.364 4.098 20 5 HIBDRN COc1cc(CNc2cc3cccnc3c(OC)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000430110016 858035898 /nfs/dbraw/zinc/03/58/98/858035898.db2.gz GFNOVIUSSPVAEK-UHFFFAOYSA-N 0 0 419.384 4.416 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000430130544 858045607 /nfs/dbraw/zinc/04/56/07/858045607.db2.gz WOGZFZAHAGNNTJ-AGMBJANBSA-N 0 0 410.470 4.144 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000430228265 858089546 /nfs/dbraw/zinc/08/95/46/858089546.db2.gz RTGITULBWRZFFW-MRXNPFEDSA-N 0 0 423.469 4.437 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1Br)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000430335486 858125461 /nfs/dbraw/zinc/12/54/61/858125461.db2.gz XFLNPCHUECRDIU-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN CC1(C)CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c2ccccc2O1 ZINC000430344533 858128245 /nfs/dbraw/zinc/12/82/45/858128245.db2.gz OQNHHVDVOQBENV-UHFFFAOYSA-N 0 0 410.348 4.354 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430439422 858164340 /nfs/dbraw/zinc/16/43/40/858164340.db2.gz PDTNJCPCZHQJLP-NRFANRHFSA-N 0 0 423.513 4.059 20 5 HIBDRN C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000430439934 858165108 /nfs/dbraw/zinc/16/51/08/858165108.db2.gz KTLXWOGCFDHWNW-HNNXBMFYSA-N 0 0 405.410 4.160 20 5 HIBDRN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000430448692 858169928 /nfs/dbraw/zinc/16/99/28/858169928.db2.gz LUDBUSAOHIXLAZ-VIFPVBQESA-N 0 0 407.213 4.443 20 5 HIBDRN CCNc1ccc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000430449388 858170900 /nfs/dbraw/zinc/17/09/00/858170900.db2.gz NIPFNHPLOQMSBW-LLVKDONJSA-N 0 0 415.837 4.221 20 5 HIBDRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000430453380 858173151 /nfs/dbraw/zinc/17/31/51/858173151.db2.gz IHSZLDCUBMPLAL-LBPRGKRZSA-N 0 0 424.682 4.019 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000430479450 858189396 /nfs/dbraw/zinc/18/93/96/858189396.db2.gz CPNRFQVOPYPEMY-UHFFFAOYSA-N 0 0 419.648 4.372 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000430528902 858208417 /nfs/dbraw/zinc/20/84/17/858208417.db2.gz GPJKZGVESRKYCP-INIZCTEOSA-N 0 0 409.442 4.216 20 5 HIBDRN CC(C)(NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000430544547 858213913 /nfs/dbraw/zinc/21/39/13/858213913.db2.gz OOZFCSTYRQVFBZ-UHFFFAOYSA-N 0 0 414.849 4.282 20 5 HIBDRN Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430554648 858216107 /nfs/dbraw/zinc/21/61/07/858216107.db2.gz GXBUSNKHNJDTOF-UHFFFAOYSA-N 0 0 410.430 4.403 20 5 HIBDRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000430560212 858218288 /nfs/dbraw/zinc/21/82/88/858218288.db2.gz GGQOGAXUIBVXFP-HNNXBMFYSA-N 0 0 415.515 4.015 20 5 HIBDRN COc1cc(C(=O)NC(C)(C)c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000430567769 858221296 /nfs/dbraw/zinc/22/12/96/858221296.db2.gz FGILZCJZVVVFGA-UHFFFAOYSA-N 0 0 416.327 4.148 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N(CCc1ccc(F)cc1)C1CC1 ZINC000430595056 858231472 /nfs/dbraw/zinc/23/14/72/858231472.db2.gz XANLTSVQQRSXIC-UHFFFAOYSA-N 0 0 407.239 4.344 20 5 HIBDRN COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000430601868 858233486 /nfs/dbraw/zinc/23/34/86/858233486.db2.gz VFXVVKYQBPSBNW-UHFFFAOYSA-N 0 0 421.247 4.060 20 5 HIBDRN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000430659956 858253559 /nfs/dbraw/zinc/25/35/59/858253559.db2.gz BUXMJPAFQSWLKJ-IVZQSRNASA-N 0 0 411.477 4.390 20 5 HIBDRN CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1nc(C(F)(F)F)cs1 ZINC000430693365 858271522 /nfs/dbraw/zinc/27/15/22/858271522.db2.gz NKKCPDXKVJQKAT-LLVKDONJSA-N 0 0 403.382 4.025 20 5 HIBDRN CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1nc(C(F)(F)F)cs1 ZINC000430693367 858271555 /nfs/dbraw/zinc/27/15/55/858271555.db2.gz NKKCPDXKVJQKAT-NSHDSACASA-N 0 0 403.382 4.025 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)ccc1[N+](=O)[O-] ZINC000430696054 858272184 /nfs/dbraw/zinc/27/21/84/858272184.db2.gz UVYNQEYULICMEN-UHFFFAOYSA-N 0 0 411.389 4.034 20 5 HIBDRN C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000430755610 858290498 /nfs/dbraw/zinc/29/04/98/858290498.db2.gz QPVHIBATWZNPFY-JTQLQIEISA-N 0 0 411.805 4.271 20 5 HIBDRN COCc1nc2cc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)ccc2o1 ZINC000430789179 858306187 /nfs/dbraw/zinc/30/61/87/858306187.db2.gz QZNBNSGLLAMKIX-UHFFFAOYSA-N 0 0 424.457 4.371 20 5 HIBDRN CCc1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cnn1-c1ccc(Cl)cc1 ZINC000430824083 858318216 /nfs/dbraw/zinc/31/82/16/858318216.db2.gz AIQYJQVQDANCJP-UHFFFAOYSA-N 0 0 414.849 4.322 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)ccc1[N+](=O)[O-] ZINC000430836723 858324910 /nfs/dbraw/zinc/32/49/10/858324910.db2.gz FVKCHLXEYTXDSZ-UHFFFAOYSA-N 0 0 406.851 4.036 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(OC(F)F)c3cccnc23)ccc1[N+](=O)[O-] ZINC000430840963 858326398 /nfs/dbraw/zinc/32/63/98/858326398.db2.gz VEUNNSFWHAMTQZ-UHFFFAOYSA-N 0 0 403.341 4.070 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000430853366 858334616 /nfs/dbraw/zinc/33/46/16/858334616.db2.gz WAWJAVRDLMNHBX-MGPLVRAMSA-N 0 0 408.241 4.126 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]2OCc2ccccc2)cc1SC ZINC000430862497 858341594 /nfs/dbraw/zinc/34/15/94/858341594.db2.gz OMOMIWAOWWKHPK-WMZOPIPTSA-N 0 0 416.499 4.193 20 5 HIBDRN Cc1cccc2[nH]cc(CCNC(=O)c3ccc(Br)cc3[N+](=O)[O-])c21 ZINC000431022014 858406678 /nfs/dbraw/zinc/40/66/78/858406678.db2.gz CBGCQKMVCMBEHA-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN O=C(NCCSCc1ccccc1F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437688691 863027913 /nfs/dbraw/zinc/02/79/13/863027913.db2.gz VCMRBXPPWABRIW-UHFFFAOYSA-N 0 0 403.479 4.341 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000431132552 858461170 /nfs/dbraw/zinc/46/11/70/858461170.db2.gz MNNHZYWUGNVIMW-DOTOQJQBSA-N 0 0 403.276 4.307 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000431131964 858461570 /nfs/dbraw/zinc/46/15/70/858461570.db2.gz HFUPSIIYGLOEND-MRXNPFEDSA-N 0 0 407.239 4.403 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000431145266 858469821 /nfs/dbraw/zinc/46/98/21/858469821.db2.gz GLPMIPXAJBIFIU-MAUKXSAKSA-N 0 0 414.259 4.053 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000431165813 858481772 /nfs/dbraw/zinc/48/17/72/858481772.db2.gz HGPXVWHMHMJVGQ-KRWDZBQOSA-N 0 0 407.239 4.403 20 5 HIBDRN CCc1noc2ncc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)cc12 ZINC000431178618 858489353 /nfs/dbraw/zinc/48/93/53/858489353.db2.gz KAQZQYVSWXMKKQ-UHFFFAOYSA-N 0 0 405.208 4.017 20 5 HIBDRN Cc1c(NC(=O)c2ncccc2C(F)(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000431180442 858490233 /nfs/dbraw/zinc/49/02/33/858490233.db2.gz HGPQFARVDYQGIU-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN Cc1c(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc(Br)cc1[N+](=O)[O-] ZINC000431179977 858490303 /nfs/dbraw/zinc/49/03/03/858490303.db2.gz FOQATQGOSVQHNF-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN Cc1c(NC(=O)c2cnn(C)c2-c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000431183204 858492892 /nfs/dbraw/zinc/49/28/92/858492892.db2.gz WYHGGHZKZPKRSP-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN CC(C)(NC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000431186623 858493801 /nfs/dbraw/zinc/49/38/01/858493801.db2.gz IMBZVTUQDMFJAY-QGZVFWFLSA-N 0 0 417.437 4.349 20 5 HIBDRN Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)CO2 ZINC000431220793 858513195 /nfs/dbraw/zinc/51/31/95/858513195.db2.gz CAHOMNLYQDXHRR-AWEZNQCLSA-N 0 0 405.248 4.397 20 5 HIBDRN Cc1c(NC(=O)c2cccc(N3CCCC3=O)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431222956 858514104 /nfs/dbraw/zinc/51/41/04/858514104.db2.gz HQNRVNSYTRPALY-UHFFFAOYSA-N 0 0 418.247 4.045 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])N[C@H](c1ccccc1)C1CC1 ZINC000431229684 858518795 /nfs/dbraw/zinc/51/87/95/858518795.db2.gz FTEAHYRYEBFEQO-QGZVFWFLSA-N 0 0 405.248 4.004 20 5 HIBDRN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cn1 ZINC000431247856 858530149 /nfs/dbraw/zinc/53/01/49/858530149.db2.gz GJXDPGJPIJJDGH-UHFFFAOYSA-N 0 0 419.268 4.478 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000431255686 858534737 /nfs/dbraw/zinc/53/47/37/858534737.db2.gz MZEFEVFYNLFZSV-XFQAVAEZSA-N 0 0 422.547 4.142 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(CCc1ccccn1)Cc1cccnc1 ZINC000431319383 858562683 /nfs/dbraw/zinc/56/26/83/858562683.db2.gz QVODTYXMURUYRI-UHFFFAOYSA-N 0 0 418.478 4.485 20 5 HIBDRN CO[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000431327907 858567801 /nfs/dbraw/zinc/56/78/01/858567801.db2.gz UGHSLHFTKWGLJD-OAHLLOKOSA-N 0 0 413.655 4.128 20 5 HIBDRN COCCOc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000431403336 858597332 /nfs/dbraw/zinc/59/73/32/858597332.db2.gz RVZFJZURJDLKFO-UHFFFAOYSA-N 0 0 407.854 4.330 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000431429444 858610111 /nfs/dbraw/zinc/61/01/11/858610111.db2.gz AKYYZLURWRMJDO-UHFFFAOYSA-N 0 0 413.865 4.487 20 5 HIBDRN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431441493 858616963 /nfs/dbraw/zinc/61/69/63/858616963.db2.gz BBWGZUMFUGFSBA-QGZVFWFLSA-N 0 0 421.247 4.167 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431467401 858630624 /nfs/dbraw/zinc/63/06/24/858630624.db2.gz YIOXBVBUSCEZAT-KDOFPFPSSA-N 0 0 419.275 4.255 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000431489709 858641654 /nfs/dbraw/zinc/64/16/54/858641654.db2.gz ZQASZVYXTWHXIR-FZKQIMNGSA-N 0 0 419.275 4.268 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000431489711 858641867 /nfs/dbraw/zinc/64/18/67/858641867.db2.gz ZQASZVYXTWHXIR-SCLBCKFNSA-N 0 0 419.275 4.268 20 5 HIBDRN O=C(Nc1ccccc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000437721159 863051500 /nfs/dbraw/zinc/05/15/00/863051500.db2.gz QAYACJZXSMUUTP-UHFFFAOYSA-N 0 0 420.263 4.433 20 5 HIBDRN Cc1cc(C)n(-c2cccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2)n1 ZINC000431645431 858708941 /nfs/dbraw/zinc/70/89/41/858708941.db2.gz XUNICGBDZTZGKW-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1)c1ccccc1[N+](=O)[O-] ZINC000431737623 858776448 /nfs/dbraw/zinc/77/64/48/858776448.db2.gz SYKLVBHIHHQBSM-UHFFFAOYSA-N 0 0 422.441 4.426 20 5 HIBDRN CCc1ccnc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000437732060 863062156 /nfs/dbraw/zinc/06/21/56/863062156.db2.gz LKPXCVXJJOTZQU-OAHLLOKOSA-N 0 0 405.458 4.050 20 5 HIBDRN COc1cccc([C@@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431772136 858804949 /nfs/dbraw/zinc/80/49/49/858804949.db2.gz KKKKCIUWPYMEQJ-KRWDZBQOSA-N 0 0 405.248 4.343 20 5 HIBDRN CCCOc1ccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000431879581 858853056 /nfs/dbraw/zinc/85/30/56/858853056.db2.gz DRPGPVUSWABTTL-UHFFFAOYSA-N 0 0 401.463 4.127 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccccc1[N+](=O)[O-] ZINC000431893905 858859510 /nfs/dbraw/zinc/85/95/10/858859510.db2.gz KLQNBRHSUOIEOA-UHFFFAOYSA-N 0 0 410.455 4.220 20 5 HIBDRN CC1(C)CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1c1ccncc1 ZINC000431907388 858865043 /nfs/dbraw/zinc/86/50/43/858865043.db2.gz PDWIRAXVXWNNNA-MRXNPFEDSA-N 0 0 408.380 4.301 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431957290 858886759 /nfs/dbraw/zinc/88/67/59/858886759.db2.gz FONAUHWKDHDMEI-UHFFFAOYSA-N 0 0 418.881 4.120 20 5 HIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000432003494 858918805 /nfs/dbraw/zinc/91/88/05/858918805.db2.gz QXJFYGZREYAIPB-AWEZNQCLSA-N 0 0 405.458 4.154 20 5 HIBDRN CC1(C)CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000432157385 859021064 /nfs/dbraw/zinc/02/10/64/859021064.db2.gz RKMAWUQFQLGIFP-KRWDZBQOSA-N 0 0 423.391 4.069 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccc(OCC3CC3)c(Cl)c2)s1 ZINC000432163604 859024244 /nfs/dbraw/zinc/02/42/44/859024244.db2.gz BGBLXRVLKWQUPI-UHFFFAOYSA-N 0 0 403.865 4.294 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1ncccc1C(F)(F)F ZINC000432238278 859062512 /nfs/dbraw/zinc/06/25/12/859062512.db2.gz OXGBDWRARLPQIP-UHFFFAOYSA-N 0 0 413.377 4.240 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)cc1[N+](=O)[O-] ZINC000432295525 859090476 /nfs/dbraw/zinc/09/04/76/859090476.db2.gz BNXUHPZTEVUEKQ-AWEZNQCLSA-N 0 0 400.378 4.148 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000432305276 859094008 /nfs/dbraw/zinc/09/40/08/859094008.db2.gz HKHIGJPFLRRNTK-HNNXBMFYSA-N 0 0 414.405 4.023 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c(Cl)c1 ZINC000432306743 859095608 /nfs/dbraw/zinc/09/56/08/859095608.db2.gz NJBGIZFPGBQRNX-GFCCVEGCSA-N 0 0 420.796 4.493 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)cc1[N+](=O)[O-] ZINC000432305828 859095714 /nfs/dbraw/zinc/09/57/14/859095714.db2.gz DYCKGFQZPNZPEX-NSHDSACASA-N 0 0 406.407 4.210 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432316375 859100553 /nfs/dbraw/zinc/10/05/53/859100553.db2.gz ZPKJVLGOKRFBDJ-AWEZNQCLSA-N 0 0 424.423 4.160 20 5 HIBDRN CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1cc(F)ccc1F ZINC000432347570 859113979 /nfs/dbraw/zinc/11/39/79/859113979.db2.gz OWQYHZYRLUUBSH-INIZCTEOSA-N 0 0 401.369 4.068 20 5 HIBDRN O=C(NCCC1CC(O)C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000432466239 859176898 /nfs/dbraw/zinc/17/68/98/859176898.db2.gz WSMTVVUGKSXTIF-UHFFFAOYSA-N 0 0 406.891 4.290 20 5 HIBDRN C[C@@H]1COCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000432469641 859179245 /nfs/dbraw/zinc/17/92/45/859179245.db2.gz DVIDDERJOXIEET-FZKQIMNGSA-N 0 0 403.866 4.015 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccc4ccoc4c3)CC2)ccc1[N+](=O)[O-] ZINC000432593251 859244893 /nfs/dbraw/zinc/24/48/93/859244893.db2.gz OTSHBNBATZHDJJ-UHFFFAOYSA-N 0 0 410.430 4.094 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432621055 859259017 /nfs/dbraw/zinc/25/90/17/859259017.db2.gz UTIRJVGAGNUHBM-INIZCTEOSA-N 0 0 412.446 4.235 20 5 HIBDRN COc1ccc(-c2ccc(CNc3cccc(C(=O)NC4CC4)c3)o2)c([N+](=O)[O-])c1 ZINC000432640476 859266610 /nfs/dbraw/zinc/26/66/10/859266610.db2.gz AJYLTYLAUHZNAP-UHFFFAOYSA-N 0 0 407.426 4.368 20 5 HIBDRN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432683827 859291780 /nfs/dbraw/zinc/29/17/80/859291780.db2.gz DJQBOCNSOWKSQI-JTQLQIEISA-N 0 0 420.288 4.328 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)c(-n2ccc(-c3nc(-c4cscn4)no3)n2)c(Cl)c1 ZINC000432692008 859297750 /nfs/dbraw/zinc/29/77/50/859297750.db2.gz FLVPCUGYFWGXIN-UHFFFAOYSA-N 0 0 409.214 4.261 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC(C)(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000432705708 859307412 /nfs/dbraw/zinc/30/74/12/859307412.db2.gz HOKYZQXWDWXYLU-TZIWHRDSSA-N 0 0 421.497 4.047 20 5 HIBDRN Cc1nc([C@H]2CCCOC2)sc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000432775215 859354850 /nfs/dbraw/zinc/35/48/50/859354850.db2.gz HCSAYXQNXFJCSH-INIZCTEOSA-N 0 0 403.504 4.305 20 5 HIBDRN C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000432799892 859366504 /nfs/dbraw/zinc/36/65/04/859366504.db2.gz IPRCRJJXWDERKX-UHFFFAOYSA-N 0 0 405.882 4.246 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(Nc3ccc4c(c3)CC(=O)N4C)c([N+](=O)[O-])c2)cc1 ZINC000432842512 859384415 /nfs/dbraw/zinc/38/44/15/859384415.db2.gz ZMVJFPACHDCSKB-UHFFFAOYSA-N 0 0 416.437 4.418 20 5 HIBDRN CC(C)N(c1cnc2ccccc2c1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000432971786 859456254 /nfs/dbraw/zinc/45/62/54/859456254.db2.gz OPCREMSAVYIDBW-UHFFFAOYSA-N 0 0 422.466 4.295 20 5 HIBDRN O=C(NCc1csc(-c2ccco2)n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433008742 859474968 /nfs/dbraw/zinc/47/49/68/859474968.db2.gz DTZGQWPYSMJAAA-UHFFFAOYSA-N 0 0 408.233 4.004 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC(Cc2ccccc2Cl)C1 ZINC000433066273 859507574 /nfs/dbraw/zinc/50/75/74/859507574.db2.gz IWSVCMSBOSAHHJ-UHFFFAOYSA-N 0 0 409.667 4.325 20 5 HIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000433416553 859688663 /nfs/dbraw/zinc/68/86/63/859688663.db2.gz COWVBXIZXCHXAC-BAUKFBFWSA-N 0 0 411.424 4.272 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)Nc1cncnc1 ZINC000467662304 881456248 /nfs/dbraw/zinc/45/62/48/881456248.db2.gz QSNSWNAWLUDVCT-UHFFFAOYSA-N 0 0 417.784 4.291 20 5 HIBDRN CC(C)[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000433469116 859718789 /nfs/dbraw/zinc/71/87/89/859718789.db2.gz VSEAUBPWUMEKID-MRXNPFEDSA-N 0 0 400.859 4.405 20 5 HIBDRN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000433572275 859786534 /nfs/dbraw/zinc/78/65/34/859786534.db2.gz AOBLSRPONCXWGL-YJYMSZOUSA-N 0 0 409.467 4.183 20 5 HIBDRN Cc1nn(CCC(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)c(C)c1[N+](=O)[O-] ZINC000433718472 859851906 /nfs/dbraw/zinc/85/19/06/859851906.db2.gz MZFHMYXMKIXLSH-INIZCTEOSA-N 0 0 422.485 4.255 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1C ZINC000433729340 859859169 /nfs/dbraw/zinc/85/91/69/859859169.db2.gz XESJTTQKTXULEL-UHFFFAOYSA-N 0 0 413.478 4.189 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H](CC(F)(F)F)C3)cc2[N+](=O)[O-])C1 ZINC000433730687 859860641 /nfs/dbraw/zinc/86/06/41/859860641.db2.gz UVGXHDJTPFGNMY-RBSFLKMASA-N 0 0 413.440 4.492 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000433736155 859864895 /nfs/dbraw/zinc/86/48/95/859864895.db2.gz QGHWXYMFVWLJIY-UHFFFAOYSA-N 0 0 417.259 4.448 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000433760067 859880611 /nfs/dbraw/zinc/88/06/11/859880611.db2.gz YXUQOPPEAPPEEU-UHFFFAOYSA-N 0 0 405.842 4.020 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CC=C(C(F)(F)F)CC2)nc1N1CC=C(C(F)(F)F)CC1 ZINC000433762387 859881249 /nfs/dbraw/zinc/88/12/49/859881249.db2.gz ODCWLHXIKLIOFE-UHFFFAOYSA-N 0 0 422.329 4.387 20 5 HIBDRN Cn1cc(-c2cc(F)ccc2NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000433810979 859906218 /nfs/dbraw/zinc/90/62/18/859906218.db2.gz HOTDRKVGBZWPIO-UHFFFAOYSA-N 0 0 409.421 4.331 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000433907641 859961780 /nfs/dbraw/zinc/96/17/80/859961780.db2.gz LNQZJLFJZKSWHY-UHFFFAOYSA-N 0 0 406.280 4.316 20 5 HIBDRN Cc1c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)noc1-c1ccccc1F ZINC000433920864 859971987 /nfs/dbraw/zinc/97/19/87/859971987.db2.gz RCXPPMFRTBOFRT-UHFFFAOYSA-N 0 0 410.405 4.894 20 5 HIBDRN Cc1ccc([C@]2(C)CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)cc1 ZINC000433949653 859996451 /nfs/dbraw/zinc/99/64/51/859996451.db2.gz LNMOUPWMIQTBLC-XMMPIXPASA-N 0 0 407.514 4.310 20 5 HIBDRN O=C(NCc1cc(F)c(Cl)cc1F)c1sc(Br)cc1[N+](=O)[O-] ZINC000433992084 860023272 /nfs/dbraw/zinc/02/32/72/860023272.db2.gz BWBNKSXVJNDLQG-UHFFFAOYSA-N 0 0 411.611 4.280 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCN(c2ccccc2)C1 ZINC000434000620 860030672 /nfs/dbraw/zinc/03/06/72/860030672.db2.gz BZBGUAAUQRIHAW-MRXNPFEDSA-N 0 0 417.893 4.050 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000434024137 860047914 /nfs/dbraw/zinc/04/79/14/860047914.db2.gz VKRJAINLQIUABI-UHFFFAOYSA-N 0 0 415.837 4.321 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(F)(c2ccccc2)CC1 ZINC000434034290 860052863 /nfs/dbraw/zinc/05/28/63/860052863.db2.gz CHDRFSWZCMSMIN-UHFFFAOYSA-N 0 0 407.239 4.458 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000434049206 860063415 /nfs/dbraw/zinc/06/34/15/860063415.db2.gz NCDZFGHVBOTVCI-GFCCVEGCSA-N 0 0 420.853 4.104 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1C(=O)N(C)C ZINC000434184889 860175376 /nfs/dbraw/zinc/17/53/76/860175376.db2.gz VWVGUVTVTZPAGX-OAHLLOKOSA-N 0 0 424.501 4.094 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000434194539 860180908 /nfs/dbraw/zinc/18/09/08/860180908.db2.gz RPCHOVALCGCAQE-LJQANCHMSA-N 0 0 408.458 4.278 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccccc2CN2CCc3ccccc32)c1[N+](=O)[O-] ZINC000434224788 860209717 /nfs/dbraw/zinc/20/97/17/860209717.db2.gz HLDMMMHXYGUVHQ-UHFFFAOYSA-N 0 0 405.458 4.256 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000434243932 860225189 /nfs/dbraw/zinc/22/51/89/860225189.db2.gz QAEOLSBVCHGILY-JSGCOSHPSA-N 0 0 406.385 4.223 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000434243933 860225733 /nfs/dbraw/zinc/22/57/33/860225733.db2.gz QAEOLSBVCHGILY-OCCSQVGLSA-N 0 0 406.385 4.223 20 5 HIBDRN O=C(C[C@H]1CCCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000434256726 860234698 /nfs/dbraw/zinc/23/46/98/860234698.db2.gz PBAJZIOMOMMXOP-MRXNPFEDSA-N 0 0 422.441 4.031 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000434329411 860291089 /nfs/dbraw/zinc/29/10/89/860291089.db2.gz YQTUWAPKPFKNMS-LRDDRELGSA-N 0 0 420.453 4.118 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000434344886 860303110 /nfs/dbraw/zinc/30/31/10/860303110.db2.gz RHLWIXVQITZNAW-UHFFFAOYSA-N 0 0 402.248 4.419 20 5 HIBDRN Nc1c(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)cc(F)cc1[N+](=O)[O-] ZINC000434388528 860328293 /nfs/dbraw/zinc/32/82/93/860328293.db2.gz ZBYWNONWIXHONF-UHFFFAOYSA-N 0 0 420.238 4.161 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434560736 860401060 /nfs/dbraw/zinc/40/10/60/860401060.db2.gz BDGYUCJWEMNNEU-UHFFFAOYSA-N 0 0 409.829 4.432 20 5 HIBDRN C[C@@H](CO)NC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc([N+](=O)[O-])cc1 ZINC000434648145 860445349 /nfs/dbraw/zinc/44/53/49/860445349.db2.gz YTVWDEPKNIZYJX-SUCHYCSPSA-N 0 0 417.465 4.131 20 5 HIBDRN C[C@@H](CO)NC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccc([N+](=O)[O-])c1 ZINC000434648665 860445420 /nfs/dbraw/zinc/44/54/20/860445420.db2.gz MYPYROKIUHAWMV-YSKWHIJTSA-N 0 0 417.465 4.131 20 5 HIBDRN COc1ccc(-c2nnc(SCc3nc4cc([N+](=O)[O-])ccc4o3)o2)cc1OC ZINC000434818170 860506773 /nfs/dbraw/zinc/50/67/73/860506773.db2.gz YKFPGYWOYIRKBM-UHFFFAOYSA-N 0 0 414.399 4.096 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc2c1 ZINC000434831638 860511820 /nfs/dbraw/zinc/51/18/20/860511820.db2.gz OWCMWYFZKQHFTC-UHFFFAOYSA-N 0 0 420.391 4.073 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434834962 860513895 /nfs/dbraw/zinc/51/38/95/860513895.db2.gz XGMQGDVDFCVDTM-UHFFFAOYSA-N 0 0 409.229 4.113 20 5 HIBDRN C[C@@H](c1ccccc1Cl)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000434836618 860514681 /nfs/dbraw/zinc/51/46/81/860514681.db2.gz ATWQMIGUJSMACH-AWEZNQCLSA-N 0 0 400.866 4.268 20 5 HIBDRN CCOc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000467749114 881554146 /nfs/dbraw/zinc/55/41/46/881554146.db2.gz YUKXIUOTNUNJLL-KRWDZBQOSA-N 0 0 422.503 4.068 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000467749718 881554209 /nfs/dbraw/zinc/55/42/09/881554209.db2.gz QPFSMOINKAZTMU-HYEGPXJVSA-N 0 0 406.548 4.497 20 5 HIBDRN COc1cccc(OC)c1Oc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000434957503 860573486 /nfs/dbraw/zinc/57/34/86/860573486.db2.gz FHSIHWZUEYKRIS-UHFFFAOYSA-N 0 0 416.821 4.460 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCO[C@H](c4cccc(C(F)(F)F)c4)C3)nc2c1 ZINC000435034191 860608313 /nfs/dbraw/zinc/60/83/13/860608313.db2.gz MHSXMOGBDNKGTK-KRWDZBQOSA-N 0 0 407.348 4.328 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000467752445 881563826 /nfs/dbraw/zinc/56/38/26/881563826.db2.gz LKSRGRRSSTZEFA-SFJXLCSZSA-N 0 0 422.500 4.222 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000467753774 881564537 /nfs/dbraw/zinc/56/45/37/881564537.db2.gz RXEIWKGGTBVGTI-HYEGPXJVSA-N 0 0 406.548 4.499 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000435263499 860707515 /nfs/dbraw/zinc/70/75/15/860707515.db2.gz QBHHDLCISATNPV-KRWDZBQOSA-N 0 0 404.854 4.223 20 5 HIBDRN CC[C@@H](C)n1nc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1C ZINC000435323514 860734696 /nfs/dbraw/zinc/73/46/96/860734696.db2.gz NAZCUXXXGKTRRL-SECBINFHSA-N 0 0 410.272 4.786 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@H]2C2CCOCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435325512 860736294 /nfs/dbraw/zinc/73/62/94/860736294.db2.gz BONKXTAMRNCXCQ-HNNXBMFYSA-N 0 0 412.284 4.089 20 5 HIBDRN COC1CCC(CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000435326160 860737643 /nfs/dbraw/zinc/73/76/43/860737643.db2.gz BXEOLAPYUSPLRR-UHFFFAOYSA-N 0 0 414.300 4.383 20 5 HIBDRN CCC(CC)N(CCOC)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435327962 860739991 /nfs/dbraw/zinc/73/99/91/860739991.db2.gz JNAGQKOCKGUISO-UHFFFAOYSA-N 0 0 402.289 4.335 20 5 HIBDRN Cc1csc([C@@H](C)CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000435328360 860740005 /nfs/dbraw/zinc/74/00/05/860740005.db2.gz KTXAAYCIWULUKO-QMMMGPOBSA-N 0 0 413.297 4.356 20 5 HIBDRN Cc1c(NC(=O)N(C)Cc2ccc3c(c2)OCO3)cc(Br)cc1[N+](=O)[O-] ZINC000435328255 860740014 /nfs/dbraw/zinc/74/00/14/860740014.db2.gz KLWIIFXMTLJCLP-UHFFFAOYSA-N 0 0 422.235 4.058 20 5 HIBDRN Cc1c(NC(=O)N(Cc2ccccn2)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435334292 860745492 /nfs/dbraw/zinc/74/54/92/860745492.db2.gz YMGLQOMOTNAOEV-UHFFFAOYSA-N 0 0 405.252 4.257 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Sc3ccncc3)cc2)cc([N+](=O)[O-])c1OC ZINC000435377440 860775188 /nfs/dbraw/zinc/77/51/88/860775188.db2.gz BLSDIUQXBVMXOH-UHFFFAOYSA-N 0 0 411.439 4.411 20 5 HIBDRN O=C(Nc1ccc(Sc2ccncc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000435381153 860776680 /nfs/dbraw/zinc/77/66/80/860776680.db2.gz RTLRALXKNXGJFD-UHFFFAOYSA-N 0 0 409.423 4.165 20 5 HIBDRN CN(c1ccc(Cl)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000435488071 860817806 /nfs/dbraw/zinc/81/78/06/860817806.db2.gz XSDUHLMDBMHONY-UHFFFAOYSA-N 0 0 412.748 4.231 20 5 HIBDRN C[C@@H](CC1CC1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435490560 860819792 /nfs/dbraw/zinc/81/97/92/860819792.db2.gz PPYWKLOJPJTKPE-NSHDSACASA-N 0 0 405.501 4.051 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)c1[N+](=O)[O-] ZINC000435512001 860830137 /nfs/dbraw/zinc/83/01/37/860830137.db2.gz SRGPWNYQPZAEBS-UHFFFAOYSA-N 0 0 402.410 4.409 20 5 HIBDRN COc1cccc(C(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)c1[N+](=O)[O-] ZINC000435538963 860852285 /nfs/dbraw/zinc/85/22/85/860852285.db2.gz BSTGAWPBUKSNMP-FQEVSTJZSA-N 0 0 416.437 4.010 20 5 HIBDRN COc1ccc(CNC(=O)c2cc(Cl)cc(Br)c2F)cc1[N+](=O)[O-] ZINC000435540622 860854805 /nfs/dbraw/zinc/85/48/05/860854805.db2.gz CQFXPYLAMRQAHK-UHFFFAOYSA-N 0 0 417.618 4.088 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c1[N+](=O)[O-] ZINC000435542453 860856214 /nfs/dbraw/zinc/85/62/14/860856214.db2.gz PMHSEBKXMJFQEI-AWEZNQCLSA-N 0 0 411.458 4.036 20 5 HIBDRN COc1cccc(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)c1[N+](=O)[O-] ZINC000435556750 860875847 /nfs/dbraw/zinc/87/58/47/860875847.db2.gz FGROTWUIJLQTIA-SFHVURJKSA-N 0 0 410.401 4.293 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)c1[N+](=O)[O-] ZINC000435560380 860881610 /nfs/dbraw/zinc/88/16/10/860881610.db2.gz VTWFOYGTJRZILA-UHFFFAOYSA-N 0 0 409.398 4.360 20 5 HIBDRN CS(=O)(=O)c1ccc(N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000435586609 860898113 /nfs/dbraw/zinc/89/81/13/860898113.db2.gz YFMGUUAUQGFUOS-MQMHXKEQSA-N 0 0 414.405 4.375 20 5 HIBDRN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435709566 860991957 /nfs/dbraw/zinc/99/19/57/860991957.db2.gz PVJVVFGLSFIIBY-GOSISDBHSA-N 0 0 411.483 4.132 20 5 HIBDRN Cc1c(C)c(C)c(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1C ZINC000435742625 861024124 /nfs/dbraw/zinc/02/41/24/861024124.db2.gz WEWZOXOOYWTSRQ-UHFFFAOYSA-N 0 0 403.866 4.045 20 5 HIBDRN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000435817398 861082461 /nfs/dbraw/zinc/08/24/61/861082461.db2.gz NXXKCBAJTZVOMJ-UHFFFAOYSA-N 0 0 413.477 4.416 20 5 HIBDRN O=C(NCCSc1ccccc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435825891 861090735 /nfs/dbraw/zinc/09/07/35/861090735.db2.gz MIDKTWSLKGVAPH-UHFFFAOYSA-N 0 0 410.445 4.482 20 5 HIBDRN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000435832914 861094781 /nfs/dbraw/zinc/09/47/81/861094781.db2.gz BVMRPYXFCGKDMF-AWEZNQCLSA-N 0 0 402.450 4.190 20 5 HIBDRN CC(C)[C@H](C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435846569 861107463 /nfs/dbraw/zinc/10/74/63/861107463.db2.gz PJRJPYDPLDQTLW-GFCCVEGCSA-N 0 0 407.517 4.154 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(CC2CCC2)[C@@H](C)CO)cc1 ZINC000435852123 861112871 /nfs/dbraw/zinc/11/28/71/861112871.db2.gz TYANYQLXFKDSSI-HNNXBMFYSA-N 0 0 414.458 4.019 20 5 HIBDRN COc1ccccc1Oc1ccc(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000435864675 861124607 /nfs/dbraw/zinc/12/46/07/861124607.db2.gz JRGPUFLRJJLKFN-UHFFFAOYSA-N 0 0 408.410 4.334 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c1[N+](=O)[O-] ZINC000435881546 861141208 /nfs/dbraw/zinc/14/12/08/861141208.db2.gz PHQAXFBCZMDDDP-SSEXGKCCSA-N 0 0 424.478 4.305 20 5 HIBDRN Cc1cc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] ZINC000435899471 861154138 /nfs/dbraw/zinc/15/41/38/861154138.db2.gz ZUMJZTUCYHBRNT-UHFFFAOYSA-N 0 0 408.785 4.401 20 5 HIBDRN CC(C)Cn1cc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C(F)F)n1 ZINC000435900686 861157593 /nfs/dbraw/zinc/15/75/93/861157593.db2.gz CISFNINAXHTYIV-JTQLQIEISA-N 0 0 415.828 4.477 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000467797467 881621220 /nfs/dbraw/zinc/62/12/20/881621220.db2.gz JPSBQNFAACIXIG-CYBMUJFWSA-N 0 0 417.874 4.350 20 5 HIBDRN CCOc1cc(F)ccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000437764749 863084115 /nfs/dbraw/zinc/08/41/15/863084115.db2.gz NCMVWTQULUWAKY-UHFFFAOYSA-N 0 0 403.410 4.208 20 5 HIBDRN Cc1nc(-c2ccc(C)c(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c2)n[nH]1 ZINC000437800480 863120694 /nfs/dbraw/zinc/12/06/94/863120694.db2.gz MPWQDIJJFRJODE-UHFFFAOYSA-N 0 0 406.446 4.193 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000437847521 863205906 /nfs/dbraw/zinc/20/59/06/863205906.db2.gz CDTQFVPDEPMXQT-JKSUJKDBSA-N 0 0 404.264 4.021 20 5 HIBDRN CN(CCCOCc1ccccc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000467809343 881636561 /nfs/dbraw/zinc/63/65/61/881636561.db2.gz NPEGZPLKEOIDCA-UHFFFAOYSA-N 0 0 400.478 4.360 20 5 HIBDRN O=C(Nc1cccc(OC(F)F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000437874238 863236049 /nfs/dbraw/zinc/23/60/49/863236049.db2.gz SNLBXDLZZHXNPA-UHFFFAOYSA-N 0 0 407.373 4.272 20 5 HIBDRN O=C(NCc1ccc(N2CCCCCC2)nc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437933558 863309279 /nfs/dbraw/zinc/30/92/79/863309279.db2.gz PGAJJCGGSJFMIC-UHFFFAOYSA-N 0 0 423.517 4.244 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H](C3CCCC3)C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000437946092 863320679 /nfs/dbraw/zinc/32/06/79/863320679.db2.gz GPPXRWMRWGVBDR-GOSISDBHSA-N 0 0 424.423 4.307 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1noc(Cc2ccccc2)n1 ZINC000437991723 863354364 /nfs/dbraw/zinc/35/43/64/863354364.db2.gz HZXFMUMBXAGQPV-HNNXBMFYSA-N 0 0 421.457 4.004 20 5 HIBDRN O=C(NCc1cccc(Br)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438008378 863368631 /nfs/dbraw/zinc/36/86/31/863368631.db2.gz DBNMUXXRNWFPLY-UHFFFAOYSA-N 0 0 404.264 4.232 20 5 HIBDRN CCc1c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]c1-c1ccncc1 ZINC000438050206 863416514 /nfs/dbraw/zinc/41/65/14/863416514.db2.gz RPJVGBVZRXEZDL-UHFFFAOYSA-N 0 0 405.336 4.213 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2CCCN2Cc2ccc(F)cc2)n1 ZINC000438224813 863660879 /nfs/dbraw/zinc/66/08/79/863660879.db2.gz QKOBVFIQZJHNJY-IBGZPJMESA-N 0 0 411.437 4.109 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000438237978 863684842 /nfs/dbraw/zinc/68/48/42/863684842.db2.gz UJNYJSFHYUKWRI-VBKZILBWSA-N 0 0 418.877 4.303 20 5 HIBDRN CC[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cccc(C(F)(F)F)c1 ZINC000438315449 863794769 /nfs/dbraw/zinc/79/47/69/863794769.db2.gz LPAAZOXQYUBATN-RDJZCZTQSA-N 0 0 422.407 4.215 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000438402233 863849105 /nfs/dbraw/zinc/84/91/05/863849105.db2.gz LEOPOSHJPWNCLO-MSOLQXFVSA-N 0 0 417.412 4.426 20 5 HIBDRN CC(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1C ZINC000467855700 881704345 /nfs/dbraw/zinc/70/43/45/881704345.db2.gz ZWRGRRJGJDBSSQ-UHFFFAOYSA-N 0 0 417.421 4.345 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000438462099 863885260 /nfs/dbraw/zinc/88/52/60/863885260.db2.gz RSWNIHGMTAOXKC-RYUDHWBXSA-N 0 0 404.385 4.101 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H](C(F)(F)F)C1 ZINC000467857536 881709029 /nfs/dbraw/zinc/70/90/29/881709029.db2.gz ZHBYRVIYJPBYJZ-SNVBAGLBSA-N 0 0 410.342 4.374 20 5 HIBDRN CC1(C)CCC[C@@](O)(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000438509076 863932840 /nfs/dbraw/zinc/93/28/40/863932840.db2.gz XLCAMHNJKGEQEA-QHCPKHFHSA-N 0 0 414.452 4.021 20 5 HIBDRN CN(CC1(CO)CC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000438510587 863936206 /nfs/dbraw/zinc/93/62/06/863936206.db2.gz SCMJILNROPLZEB-UHFFFAOYSA-N 0 0 406.891 4.244 20 5 HIBDRN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000438540555 863966210 /nfs/dbraw/zinc/96/62/10/863966210.db2.gz KKMIEGOCNQZVDZ-UWVGGRQHSA-N 0 0 409.202 4.456 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1c(F)cc(F)cc1F ZINC000438543515 863969848 /nfs/dbraw/zinc/96/98/48/863969848.db2.gz XYPWSMAMIXVERQ-UHFFFAOYSA-N 0 0 422.285 4.265 20 5 HIBDRN C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000467863204 881717451 /nfs/dbraw/zinc/71/74/51/881717451.db2.gz JZUUUVQTPYJYPV-AEFFLSMTSA-N 0 0 405.454 4.317 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)N(Cc2ccccc2)c2ccccc21 ZINC000438625187 864053229 /nfs/dbraw/zinc/05/32/29/864053229.db2.gz PMRRFXBZCYZMDQ-INIZCTEOSA-N 0 0 402.454 4.354 20 5 HIBDRN O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000438684698 864150735 /nfs/dbraw/zinc/15/07/35/864150735.db2.gz KTRBKJVPJRTIRH-HUUCEWRRSA-N 0 0 403.276 4.499 20 5 HIBDRN O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000438686113 864152719 /nfs/dbraw/zinc/15/27/19/864152719.db2.gz BYAUEZSITHOTDV-ZBFHGGJFSA-N 0 0 403.276 4.499 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438696174 864165780 /nfs/dbraw/zinc/16/57/80/864165780.db2.gz ULWLMPWENAJJGY-ZWKOTPCHSA-N 0 0 414.527 4.475 20 5 HIBDRN Cc1cccc(C(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(C)c2)c1 ZINC000438736812 864223349 /nfs/dbraw/zinc/22/33/49/864223349.db2.gz FJLQUFBSAPDXBB-UHFFFAOYSA-N 0 0 417.465 4.364 20 5 HIBDRN Cc1cccc(C(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(C)c2)c1 ZINC000438738393 864224619 /nfs/dbraw/zinc/22/46/19/864224619.db2.gz VRSVQZMNRBSZNE-UHFFFAOYSA-N 0 0 417.465 4.364 20 5 HIBDRN O=[N+]([O-])c1cc(CSCc2nc(CCc3ccccc3)no2)c2c(c1)COCO2 ZINC000438807724 864299047 /nfs/dbraw/zinc/29/90/47/864299047.db2.gz RHIDOFLAVYRAMD-UHFFFAOYSA-N 0 0 413.455 4.063 20 5 HIBDRN O=[N+]([O-])c1cnn(C[C@@H](O)Cn2c3ccccc3nc2-c2cccc3ccccc32)c1 ZINC000438818193 864310143 /nfs/dbraw/zinc/31/01/43/864310143.db2.gz IKJGGTOWLYTGCW-GOSISDBHSA-N 0 0 413.437 4.022 20 5 HIBDRN Cc1c(CC(=O)NCC2(c3ccccc3Br)CC2)cccc1[N+](=O)[O-] ZINC000438828384 864322218 /nfs/dbraw/zinc/32/22/18/864322218.db2.gz GVEWPWIMGDQFHP-UHFFFAOYSA-N 0 0 403.276 4.056 20 5 HIBDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000438905087 864383799 /nfs/dbraw/zinc/38/37/99/864383799.db2.gz PEBDGTIOQDWPOC-UHFFFAOYSA-N 0 0 409.486 4.265 20 5 HIBDRN O=C(Cc1cccc(OC(F)(F)F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438929894 864409388 /nfs/dbraw/zinc/40/93/88/864409388.db2.gz LTLMWSSQZPPNLX-UHFFFAOYSA-N 0 0 424.375 4.106 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438938278 864414573 /nfs/dbraw/zinc/41/45/73/864414573.db2.gz NVRNPKGOMARZFF-VIFPVBQESA-N 0 0 418.803 4.423 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000438965534 864432531 /nfs/dbraw/zinc/43/25/31/864432531.db2.gz SIVXDNUSVPPPOG-UHFFFAOYSA-N 0 0 410.804 4.271 20 5 HIBDRN C[C@@H]1C[C@H](C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CO1 ZINC000438969410 864435591 /nfs/dbraw/zinc/43/55/91/864435591.db2.gz RVPRACIIYFHDBN-YPMHNXCESA-N 0 0 408.813 4.221 20 5 HIBDRN CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000438969230 864435623 /nfs/dbraw/zinc/43/56/23/864435623.db2.gz ZQLNFXPBFJOLRY-UHFFFAOYSA-N 0 0 419.384 4.056 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC(c2ccccc2Br)CC1 ZINC000439033033 864488656 /nfs/dbraw/zinc/48/86/56/864488656.db2.gz JZWZAPKPVMAVIT-UHFFFAOYSA-N 0 0 419.275 4.142 20 5 HIBDRN Cc1c(CC(=O)NCCCCc2nc(-c3cccnc3)cs2)cccc1[N+](=O)[O-] ZINC000439089883 864535470 /nfs/dbraw/zinc/53/54/70/864535470.db2.gz JRCYTOPQEFNCLR-UHFFFAOYSA-N 0 0 410.499 4.103 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 ZINC000439103851 864542195 /nfs/dbraw/zinc/54/21/95/864542195.db2.gz XMFSAPPHWOKIKU-CQSZACIVSA-N 0 0 403.866 4.202 20 5 HIBDRN CC(C)c1ccc(C(=O)N(CC(=O)N2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000439108937 864545594 /nfs/dbraw/zinc/54/55/94/864545594.db2.gz NUZMTVKIHLWTFT-UHFFFAOYSA-N 0 0 409.486 4.378 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC000439109651 864547129 /nfs/dbraw/zinc/54/71/29/864547129.db2.gz GNPOOXPTMQYYDP-UHFFFAOYSA-N 0 0 414.853 4.082 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cc1[N+](=O)[O-] ZINC000439113363 864549753 /nfs/dbraw/zinc/54/97/53/864549753.db2.gz QSLOKCJLRSEFTN-UHFFFAOYSA-N 0 0 408.462 4.244 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000439116344 864552534 /nfs/dbraw/zinc/55/25/34/864552534.db2.gz JTTSJRGBIVQLEL-GOSISDBHSA-N 0 0 417.462 4.011 20 5 HIBDRN CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc(C(F)(F)F)cc1Cl ZINC000439115119 864553014 /nfs/dbraw/zinc/55/30/14/864553014.db2.gz DZAYQIKXBMQRGB-UHFFFAOYSA-N 0 0 402.712 4.272 20 5 HIBDRN CCN(CC)C(=O)COc1cccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000439140610 864573426 /nfs/dbraw/zinc/57/34/26/864573426.db2.gz ZUAPKSDUSHBJLL-UHFFFAOYSA-N 0 0 419.865 4.056 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439141237 864573655 /nfs/dbraw/zinc/57/36/55/864573655.db2.gz MOYYQIIICKMPCR-UHFFFAOYSA-N 0 0 419.865 4.091 20 5 HIBDRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])ccc2NC1=O ZINC000439145965 864577866 /nfs/dbraw/zinc/57/78/66/864577866.db2.gz GMUBTSYVXJARMW-ZBEGNZNMSA-N 0 0 417.849 4.157 20 5 HIBDRN CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccccc1S(=O)(=O)CC ZINC000439152677 864584860 /nfs/dbraw/zinc/58/48/60/864584860.db2.gz CGTNACXZGLSGMA-UHFFFAOYSA-N 0 0 404.488 4.179 20 5 HIBDRN Cc1cc(F)ccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000439219594 864636093 /nfs/dbraw/zinc/63/60/93/864636093.db2.gz ATEUWZWVOZMMBF-UHFFFAOYSA-N 0 0 400.431 4.438 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000439244360 864661210 /nfs/dbraw/zinc/66/12/10/864661210.db2.gz GDNHLDNKVVIYMX-UHFFFAOYSA-N 0 0 411.324 4.383 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)N2CCC[C@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC000439249405 864666951 /nfs/dbraw/zinc/66/69/51/864666951.db2.gz SSOGQYDFZHTBLR-HNNXBMFYSA-N 0 0 417.325 4.009 20 5 HIBDRN Cc1cccc(Cn2nccc2NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC000439252121 864669052 /nfs/dbraw/zinc/66/90/52/864669052.db2.gz PNIVCYGXHOTCNB-UHFFFAOYSA-N 0 0 413.437 4.462 20 5 HIBDRN Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)c1 ZINC000439526073 864863930 /nfs/dbraw/zinc/86/39/30/864863930.db2.gz CFFCDCUJSMXTRQ-UHFFFAOYSA-N 0 0 410.474 4.017 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000439565342 864889589 /nfs/dbraw/zinc/88/95/89/864889589.db2.gz YJBNAMMWYOMMKD-TZMCWYRMSA-N 0 0 410.396 4.340 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000439680766 865016410 /nfs/dbraw/zinc/01/64/10/865016410.db2.gz GOTXXTQHGNXYSN-LJQANCHMSA-N 0 0 419.485 4.051 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cc2c(cc1Br)CCC2 ZINC000467970817 881827907 /nfs/dbraw/zinc/82/79/07/881827907.db2.gz QXYMLEQVPOKZKC-UHFFFAOYSA-N 0 0 404.264 4.210 20 5 HIBDRN Cc1ccc(C(=O)NCC2CC2)cc1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000439783074 865105491 /nfs/dbraw/zinc/10/54/91/865105491.db2.gz SKWCHPQXYOTBHV-UHFFFAOYSA-N 0 0 419.485 4.056 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000467990177 881836778 /nfs/dbraw/zinc/83/67/78/881836778.db2.gz IUKVNPOWOHWJRR-UHFFFAOYSA-N 0 0 419.363 4.164 20 5 HIBDRN CC(=O)Nc1cccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c1C ZINC000467991026 881837261 /nfs/dbraw/zinc/83/72/61/881837261.db2.gz SVFHIDPYDZBDJF-UHFFFAOYSA-N 0 0 410.455 4.262 20 5 HIBDRN CCc1c(NC(=O)NCCc2ccccc2[N+](=O)[O-])cnn1-c1ccccc1Cl ZINC000467993920 881839273 /nfs/dbraw/zinc/83/92/73/881839273.db2.gz MKFUGURNJKWAIJ-UHFFFAOYSA-N 0 0 413.865 4.361 20 5 HIBDRN COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000439850915 865159197 /nfs/dbraw/zinc/15/91/97/865159197.db2.gz NINFEJQLJHRELU-UHFFFAOYSA-N 0 0 419.437 4.345 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000439873597 865183844 /nfs/dbraw/zinc/18/38/44/865183844.db2.gz VCOBSJABBWCUQV-UHFFFAOYSA-N 0 0 422.441 4.289 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2C)cc([N+](=O)[O-])c1 ZINC000468002131 881844117 /nfs/dbraw/zinc/84/41/17/881844117.db2.gz FMGQASGDYGBSFQ-UHFFFAOYSA-N 0 0 400.284 4.100 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC([C@H]2CCCO2)CC1 ZINC000439878070 865189614 /nfs/dbraw/zinc/18/96/14/865189614.db2.gz KUNKKUFRWSQIIU-JOCHJYFZSA-N 0 0 409.486 4.238 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000439888890 865201699 /nfs/dbraw/zinc/20/16/99/865201699.db2.gz QSTQOWGLIRJLHP-KRWDZBQOSA-N 0 0 423.473 4.348 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1csc(Br)c1 ZINC000439895910 865208723 /nfs/dbraw/zinc/20/87/23/865208723.db2.gz FXGRIUFYNJTCAK-UHFFFAOYSA-N 0 0 414.281 4.481 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000439921723 865227386 /nfs/dbraw/zinc/22/73/86/865227386.db2.gz ZBKKMHYQLPLGFT-LLVKDONJSA-N 0 0 415.381 4.065 20 5 HIBDRN CCc1n[nH]c(C(=O)NCc2ccccc2COc2ccccc2Cl)c1[N+](=O)[O-] ZINC000439924293 865228500 /nfs/dbraw/zinc/22/85/00/865228500.db2.gz SVNKRTWZZAMTAA-UHFFFAOYSA-N 0 0 414.849 4.043 20 5 HIBDRN CCCc1n[nH]c(C(=O)N2CCC(c3ccccc3Br)CC2)c1[N+](=O)[O-] ZINC000440053773 865329137 /nfs/dbraw/zinc/32/91/37/865329137.db2.gz OEQAKIYDOMWWHW-UHFFFAOYSA-N 0 0 421.295 4.053 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000440090584 865353449 /nfs/dbraw/zinc/35/34/49/865353449.db2.gz UHIINPOHZFQCDD-JOCQHMNTSA-N 0 0 422.268 4.211 20 5 HIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000440091954 865354268 /nfs/dbraw/zinc/35/42/68/865354268.db2.gz YNUOGODAIZIEFT-UHFFFAOYSA-N 0 0 408.462 4.265 20 5 HIBDRN O=C(NCCc1ccon1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000468030814 881863528 /nfs/dbraw/zinc/86/35/28/881863528.db2.gz MSRGARSTXDQQJB-UHFFFAOYSA-N 0 0 403.847 4.360 20 5 HIBDRN Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1 ZINC000440247691 865486000 /nfs/dbraw/zinc/48/60/00/865486000.db2.gz YOXAHUXGRUAYRY-UHFFFAOYSA-N 0 0 405.410 4.059 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCC[C@@H](C)CC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000468070145 881886083 /nfs/dbraw/zinc/88/60/83/881886083.db2.gz HMWAHHOVCSGREU-ZIAGYGMSSA-N 0 0 419.503 4.338 20 5 HIBDRN O=C(Nc1cccc(Oc2ccncc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000440342316 865622697 /nfs/dbraw/zinc/62/26/97/865622697.db2.gz RBNNTXRKXSPRIK-UHFFFAOYSA-N 0 0 412.789 4.013 20 5 HIBDRN CCOCc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 ZINC000440408010 865698981 /nfs/dbraw/zinc/69/89/81/865698981.db2.gz JLJPBZZTCDNGMU-UHFFFAOYSA-N 0 0 408.458 4.245 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCSc2ccncc21 ZINC000440408604 865701459 /nfs/dbraw/zinc/70/14/59/865701459.db2.gz XIEQQRBASFLAEV-UHFFFAOYSA-N 0 0 415.418 4.240 20 5 HIBDRN C[C@@H](NC(=O)CCc1ccccc1)C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000440466257 865771643 /nfs/dbraw/zinc/77/16/43/865771643.db2.gz ANALNBQJFITMJT-QGZVFWFLSA-N 0 0 409.486 4.008 20 5 HIBDRN O=C(Nc1ccsc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000440508261 865800271 /nfs/dbraw/zinc/80/02/71/865800271.db2.gz UZBZHMRIZMVLCQ-UHFFFAOYSA-N 0 0 405.482 4.446 20 5 HIBDRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1 ZINC000440598560 865830914 /nfs/dbraw/zinc/83/09/14/865830914.db2.gz NIRGHDLJHDTQHY-AZUAARDMSA-N 0 0 423.513 4.413 20 5 HIBDRN O=C(c1cn(Cc2ccccc2)nn1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440602873 865833196 /nfs/dbraw/zinc/83/31/96/865833196.db2.gz XJDGLGIFTZSBQI-UHFFFAOYSA-N 0 0 413.437 4.082 20 5 HIBDRN O=C(NCCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccsc1 ZINC000440603276 865833296 /nfs/dbraw/zinc/83/32/96/865833296.db2.gz OVBBWNNXETUQRB-UHFFFAOYSA-N 0 0 423.494 4.400 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2C)cc1[N+](=O)[O-] ZINC000440606434 865834929 /nfs/dbraw/zinc/83/49/29/865834929.db2.gz WDEKXXKBVQKYDK-UHFFFAOYSA-N 0 0 419.437 4.368 20 5 HIBDRN CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000440612040 865837992 /nfs/dbraw/zinc/83/79/92/865837992.db2.gz PFJBBMBIQRTDIE-UHFFFAOYSA-N 0 0 424.478 4.235 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCC4(C3)CCOCC4)cc2[N+](=O)[O-])n1 ZINC000440616475 865840729 /nfs/dbraw/zinc/84/07/29/865840729.db2.gz RZOWCMJHBMZNJH-UHFFFAOYSA-N 0 0 419.528 4.154 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440615975 865840882 /nfs/dbraw/zinc/84/08/82/865840882.db2.gz RCNDMKWYVPOPTA-MRXNPFEDSA-N 0 0 406.486 4.357 20 5 HIBDRN CC(=O)c1cccc(OCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000440620928 865843221 /nfs/dbraw/zinc/84/32/21/865843221.db2.gz YBBYVFONADBFLJ-UHFFFAOYSA-N 0 0 404.422 4.410 20 5 HIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cc(Br)ccc1Cl ZINC000440620973 865843287 /nfs/dbraw/zinc/84/32/87/865843287.db2.gz QOILVGQUFZXUTB-UHFFFAOYSA-N 0 0 406.623 4.811 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(N(C)C)nc2ccccc12 ZINC000440630269 865848532 /nfs/dbraw/zinc/84/85/32/865848532.db2.gz PVZQXEIWFPVUQS-CQSZACIVSA-N 0 0 410.499 4.006 20 5 HIBDRN O=C(CSCc1coc(-c2ccccc2)n1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000440630482 865848661 /nfs/dbraw/zinc/84/86/61/865848661.db2.gz QYQFLVRGRXEXSE-UHFFFAOYSA-N 0 0 420.450 4.670 20 5 HIBDRN COc1cc(C(=O)NCc2ccc(C)cc2OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000440639774 865853112 /nfs/dbraw/zinc/85/31/12/865853112.db2.gz QLQPDICOLUQRLR-UHFFFAOYSA-N 0 0 402.447 4.028 20 5 HIBDRN Cc1c(C(=O)N(CC(F)F)c2cccc(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000440675297 865862002 /nfs/dbraw/zinc/86/20/02/865862002.db2.gz LHCXOOZJUSHJOD-UHFFFAOYSA-N 0 0 421.791 4.049 20 5 HIBDRN COc1ccccc1CN(Cc1csc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000440722455 865874934 /nfs/dbraw/zinc/87/49/34/865874934.db2.gz CREIDYCWQNGJSU-UHFFFAOYSA-N 0 0 410.455 4.454 20 5 HIBDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000440807432 865926750 /nfs/dbraw/zinc/92/67/50/865926750.db2.gz HZXZJQXNBQCMNZ-UWJYYQICSA-N 0 0 407.474 4.210 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N[C@H](c2cccs2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000440885084 865980539 /nfs/dbraw/zinc/98/05/39/865980539.db2.gz WXLTZQNTZJJOMJ-NRFANRHFSA-N 0 0 410.451 4.144 20 5 HIBDRN COc1ccc(C[C@H]2CCCN(C(=O)CCOc3cc(C)ccc3[N+](=O)[O-])C2)cc1 ZINC000441009838 866080380 /nfs/dbraw/zinc/08/03/80/866080380.db2.gz HFNAMMBJRGYUOI-LJQANCHMSA-N 0 0 412.486 4.162 20 5 HIBDRN COc1ccc([C@@H](NC(=O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C(C)C)cc1 ZINC000441244256 866319915 /nfs/dbraw/zinc/31/99/15/866319915.db2.gz YXXAUQUTRDQCQZ-QHCPKHFHSA-N 0 0 411.502 4.081 20 5 HIBDRN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000441265017 866340250 /nfs/dbraw/zinc/34/02/50/866340250.db2.gz YWAKICZPSYWZFE-QUCCMNQESA-N 0 0 409.486 4.253 20 5 HIBDRN CCO[C@H](C)c1nc(CN2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cs1 ZINC000441346031 866416848 /nfs/dbraw/zinc/41/68/48/866416848.db2.gz IGDMLXVZSRLYDK-CQSZACIVSA-N 0 0 424.954 4.120 20 5 HIBDRN CCO[C@@H](C)c1nc(CN2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000441357818 866427370 /nfs/dbraw/zinc/42/73/70/866427370.db2.gz NBDRNVMTGZKRTP-HOTGVXAUSA-N 0 0 404.536 4.028 20 5 HIBDRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441392880 866464783 /nfs/dbraw/zinc/46/47/83/866464783.db2.gz DVHDEXXIMAQEHK-VXGBXAGGSA-N 0 0 424.284 4.491 20 5 HIBDRN Cc1cncc(N(Cc2ccc(F)cc2)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000441393655 866466630 /nfs/dbraw/zinc/46/66/30/866466630.db2.gz HTMZKTLFUZUDME-UHFFFAOYSA-N 0 0 409.417 4.358 20 5 HIBDRN CCCN(C(=O)c1c(C)nc2ccc(Br)cn21)c1cccc([N+](=O)[O-])c1 ZINC000441444854 866522343 /nfs/dbraw/zinc/52/23/43/866522343.db2.gz XKWOXGUZYYTVJL-UHFFFAOYSA-N 0 0 417.263 4.370 20 5 HIBDRN CCCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000441453630 866528958 /nfs/dbraw/zinc/52/89/58/866528958.db2.gz XYNJNCCUCVICGP-QGZVFWFLSA-N 0 0 413.449 4.029 20 5 HIBDRN CCCN(C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000441459657 866535603 /nfs/dbraw/zinc/53/56/03/866535603.db2.gz BHXVOTZRVJERGY-LJQANCHMSA-N 0 0 417.893 4.446 20 5 HIBDRN CO[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000441474559 866552322 /nfs/dbraw/zinc/55/23/22/866552322.db2.gz QVNITLPISKTJLF-YOEHRIQHSA-N 0 0 417.893 4.500 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCOc2c(Br)cccc21 ZINC000441528276 866604035 /nfs/dbraw/zinc/60/40/35/866604035.db2.gz YUJFRSODZXGNCH-UHFFFAOYSA-N 0 0 403.188 4.143 20 5 HIBDRN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441575498 866659357 /nfs/dbraw/zinc/65/93/57/866659357.db2.gz NUNCBEWEFVIOFR-XIKOKIGWSA-N 0 0 401.850 4.017 20 5 HIBDRN COc1ccc(NC(C)=O)cc1N(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C(C)C ZINC000441599061 866691256 /nfs/dbraw/zinc/69/12/56/866691256.db2.gz NGDRNKCMYDYCEE-UHFFFAOYSA-N 0 0 417.487 4.339 20 5 HIBDRN CCN(CCC1CC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000441650462 866763808 /nfs/dbraw/zinc/76/38/08/866763808.db2.gz UMTPEEXOSNQITC-UHFFFAOYSA-N 0 0 419.528 4.395 20 5 HIBDRN COc1cccc(C(C)(C)CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000441745083 866831609 /nfs/dbraw/zinc/83/16/09/866831609.db2.gz ZTRZQMCEPJJHAG-UHFFFAOYSA-N 0 0 407.264 4.074 20 5 HIBDRN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000441786407 866858265 /nfs/dbraw/zinc/85/82/65/866858265.db2.gz HYHCPOAEHQCWIP-SNVBAGLBSA-N 0 0 404.366 4.070 20 5 HIBDRN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000441786405 866858538 /nfs/dbraw/zinc/85/85/38/866858538.db2.gz HYHCPOAEHQCWIP-JTQLQIEISA-N 0 0 404.366 4.070 20 5 HIBDRN Cc1nccn1C[C@@H](C)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441829803 866889161 /nfs/dbraw/zinc/88/91/61/866889161.db2.gz YQGZKLGNPQVFKD-HNNXBMFYSA-N 0 0 410.499 4.317 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)cc1[N+](=O)[O-] ZINC000441836880 866895075 /nfs/dbraw/zinc/89/50/75/866895075.db2.gz ZSXJOILSYBDGEO-INIZCTEOSA-N 0 0 410.474 4.168 20 5 HIBDRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000468166919 882042856 /nfs/dbraw/zinc/04/28/56/882042856.db2.gz ZJFXLQSEFNFPHA-IRXDYDNUSA-N 0 0 424.501 4.039 20 5 HIBDRN O=C(NCc1nccn1C(F)F)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442023004 867071222 /nfs/dbraw/zinc/07/12/22/867071222.db2.gz BTJIIZRTCJULAS-UHFFFAOYSA-N 0 0 404.398 4.268 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000442104132 867129255 /nfs/dbraw/zinc/12/92/55/867129255.db2.gz ATYALOMFEBHGKY-PMERELPUSA-N 0 0 423.494 4.262 20 5 HIBDRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)c1 ZINC000442180203 867202632 /nfs/dbraw/zinc/20/26/32/867202632.db2.gz FTAYVBQGIRQKHW-OAQYLSRUSA-N 0 0 403.442 4.061 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc(C(=O)OC)ccc2C(C)C)c([N+](=O)[O-])cc1OC ZINC000468185181 882059852 /nfs/dbraw/zinc/05/98/52/882059852.db2.gz BBKNMFYQFBTNHV-UHFFFAOYSA-N 0 0 416.430 4.164 20 5 HIBDRN Cc1nn(CCC(=O)Nc2cc(C)ccc2OCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000442228135 867257858 /nfs/dbraw/zinc/25/78/58/867257858.db2.gz VSIIPGYOHUZTEA-UHFFFAOYSA-N 0 0 408.458 4.324 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccccc3)c2CC)cc1OC ZINC000468188193 882063583 /nfs/dbraw/zinc/06/35/83/882063583.db2.gz JTVXDQFTHZIVDS-UHFFFAOYSA-N 0 0 410.430 4.003 20 5 HIBDRN CCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cnn1-c1ccccc1 ZINC000468198144 882076952 /nfs/dbraw/zinc/07/69/52/882076952.db2.gz CSJYKUDNJGPBHX-UHFFFAOYSA-N 0 0 415.247 4.358 20 5 HIBDRN NC(=O)Nc1ccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 ZINC000442419691 867391708 /nfs/dbraw/zinc/39/17/08/867391708.db2.gz OELYNSSFZQELKG-UHFFFAOYSA-N 0 0 422.466 4.167 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC000442512881 867491949 /nfs/dbraw/zinc/49/19/49/867491949.db2.gz GGYKMTYXYRVUME-QGZVFWFLSA-N 0 0 409.486 4.167 20 5 HIBDRN O=C(N[C@@H]1COc2ccccc2C1=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442640933 867585590 /nfs/dbraw/zinc/58/55/90/867585590.db2.gz YIVRLAIIXPWMBH-MRXNPFEDSA-N 0 0 420.446 4.120 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCCN(CC(F)F)CC1 ZINC000442712920 867642117 /nfs/dbraw/zinc/64/21/17/867642117.db2.gz HSIAFUJXPYESRC-UHFFFAOYSA-N 0 0 421.469 4.159 20 5 HIBDRN O=C(NCCCNc1ccccn1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442723115 867649084 /nfs/dbraw/zinc/64/90/84/867649084.db2.gz YOOVUKJGDHCMOU-UHFFFAOYSA-N 0 0 408.483 4.373 20 5 HIBDRN Cc1cccc(C[C@H](CO)NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 ZINC000442772902 867670767 /nfs/dbraw/zinc/67/07/67/867670767.db2.gz SIUSUVQVRYNAOW-GOSISDBHSA-N 0 0 422.506 4.388 20 5 HIBDRN O=C(N[C@@H]1Cc2cccc(O)c2C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442810807 867683017 /nfs/dbraw/zinc/68/30/17/867683017.db2.gz NGYBZXQCWVKMRC-OAHLLOKOSA-N 0 0 406.463 4.349 20 5 HIBDRN O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442887185 867719996 /nfs/dbraw/zinc/71/99/96/867719996.db2.gz VANNOMHTQZONAE-UHFFFAOYSA-N 0 0 420.450 4.258 20 5 HIBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCC2(CCC2)C1 ZINC000468229754 882121077 /nfs/dbraw/zinc/12/10/77/882121077.db2.gz IDPRQLUHQPMOOQ-UHFFFAOYSA-N 0 0 411.424 4.233 20 5 HIBDRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000468237245 882132349 /nfs/dbraw/zinc/13/23/49/882132349.db2.gz FKUBSAJVDOUECN-GOSISDBHSA-N 0 0 409.486 4.398 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)[C@@H]1CO ZINC000443397674 867953401 /nfs/dbraw/zinc/95/34/01/867953401.db2.gz ZLSHTEYWQLPELJ-SJKOYZFVSA-N 0 0 406.891 4.242 20 5 HIBDRN CCN(Cc1ccccn1)c1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] ZINC000443516549 868078725 /nfs/dbraw/zinc/07/87/25/868078725.db2.gz FMVHBCDARHUMRS-UHFFFAOYSA-N 0 0 419.437 4.034 20 5 HIBDRN Cc1c(NC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC000443539486 868097889 /nfs/dbraw/zinc/09/78/89/868097889.db2.gz HXEZQQUGLXOXLX-HXUWFJFHSA-N 0 0 418.453 4.275 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000443666434 868273859 /nfs/dbraw/zinc/27/38/59/868273859.db2.gz FCVFETGVRUDRFC-UHFFFAOYSA-N 0 0 415.421 4.311 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N(Cc2ccc(F)cc2F)C2CCCC2)c1 ZINC000443679661 868286087 /nfs/dbraw/zinc/28/60/87/868286087.db2.gz FUHGQYKCORPWML-UHFFFAOYSA-N 0 0 410.442 4.148 20 5 HIBDRN O=C(Nc1cccc(-c2c[nH]nn2)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000443686980 868289848 /nfs/dbraw/zinc/28/98/48/868289848.db2.gz YXCXRPOVKWNZFO-UHFFFAOYSA-N 0 0 414.425 4.244 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)c1 ZINC000443779361 868329494 /nfs/dbraw/zinc/32/94/94/868329494.db2.gz RAWOKWSDDQLVEK-NRFANRHFSA-N 0 0 414.458 4.137 20 5 HIBDRN Cn1cnnc1Sc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443836761 868368134 /nfs/dbraw/zinc/36/81/34/868368134.db2.gz QBJIQHMTTLXDPJ-UHFFFAOYSA-N 0 0 423.376 4.146 20 5 HIBDRN CC(C)COC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000443867527 868398510 /nfs/dbraw/zinc/39/85/10/868398510.db2.gz JFPGNHKDSFMALF-AWEZNQCLSA-N 0 0 400.353 4.350 20 5 HIBDRN O=C(Nc1ccnn1CCc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443868234 868399840 /nfs/dbraw/zinc/39/98/40/868399840.db2.gz MZYKNVAVKCSFJQ-UHFFFAOYSA-N 0 0 404.348 4.305 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc3c(cc2Br)CCC3)cc1[N+](=O)[O-] ZINC000443871939 868402391 /nfs/dbraw/zinc/40/23/91/868402391.db2.gz YBPPLNOKRCLHLW-UHFFFAOYSA-N 0 0 405.248 4.497 20 5 HIBDRN CCOC(=O)c1cccc(N(CC)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000443875702 868405794 /nfs/dbraw/zinc/40/57/94/868405794.db2.gz JCSBVSYLUTXVNU-UHFFFAOYSA-N 0 0 410.348 4.457 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1c(F)cc(Br)cc1F ZINC000443879657 868411963 /nfs/dbraw/zinc/41/19/63/868411963.db2.gz MZVQONJFICESPE-UHFFFAOYSA-N 0 0 410.174 4.229 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000443941888 868477689 /nfs/dbraw/zinc/47/76/89/868477689.db2.gz BZWPTJCQFZHIFH-UHFFFAOYSA-N 0 0 424.288 4.268 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000443945800 868482232 /nfs/dbraw/zinc/48/22/32/868482232.db2.gz HOYCDWXIQQBCGM-UHFFFAOYSA-N 0 0 400.454 4.091 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000443947878 868483726 /nfs/dbraw/zinc/48/37/26/868483726.db2.gz ORESLXZGZIPLOU-UHFFFAOYSA-N 0 0 420.473 4.408 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000443952488 868487665 /nfs/dbraw/zinc/48/76/65/868487665.db2.gz NDGIJPFNFQGZFR-UHFFFAOYSA-N 0 0 415.837 4.279 20 5 HIBDRN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443960082 868493772 /nfs/dbraw/zinc/49/37/72/868493772.db2.gz PFJXYKRUIIZPLF-GOSISDBHSA-N 0 0 413.474 4.433 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Cl)c(Cl)cn2)c([N+](=O)[O-])cc1OC(F)F ZINC000443959351 868494033 /nfs/dbraw/zinc/49/40/33/868494033.db2.gz IABLDEHIGQTQFS-UHFFFAOYSA-N 0 0 408.144 4.159 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000468274823 882195549 /nfs/dbraw/zinc/19/55/49/882195549.db2.gz QZSKULGSCJWNOY-BEFAXECRSA-N 0 0 421.453 4.131 20 5 HIBDRN Cc1sc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccccc2C)cc1[N+](=O)[O-] ZINC000443978229 868505654 /nfs/dbraw/zinc/50/56/54/868505654.db2.gz KWCUMEWRHWAULQ-GFCCVEGCSA-N 0 0 408.423 4.245 20 5 HIBDRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])o1 ZINC000443981236 868507399 /nfs/dbraw/zinc/50/73/99/868507399.db2.gz ANXKEJZMLRDRPO-SUMWQHHRSA-N 0 0 402.447 4.381 20 5 HIBDRN Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000443988433 868512080 /nfs/dbraw/zinc/51/20/80/868512080.db2.gz OHNSTBJSPRISNP-INIZCTEOSA-N 0 0 402.394 4.016 20 5 HIBDRN O=C(NCCCc1cccc(F)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444003165 868524481 /nfs/dbraw/zinc/52/44/81/868524481.db2.gz MBSNBJLMLPKMER-UHFFFAOYSA-N 0 0 410.395 4.461 20 5 HIBDRN Cn1nc(CC(C)(C)C)cc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444008365 868530008 /nfs/dbraw/zinc/53/00/08/868530008.db2.gz HZTTWSFWPRUEMT-UHFFFAOYSA-N 0 0 406.461 4.395 20 5 HIBDRN Cc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)ccc1C(=O)NC(C)C ZINC000444012998 868535983 /nfs/dbraw/zinc/53/59/83/868535983.db2.gz UDBGUCADVAWBEM-UHFFFAOYSA-N 0 0 413.477 4.380 20 5 HIBDRN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444017715 868541778 /nfs/dbraw/zinc/54/17/78/868541778.db2.gz APRXLPGAJUPQRS-KBXCAEBGSA-N 0 0 408.379 4.385 20 5 HIBDRN O=C(NCCc1ccc(Br)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444025717 868553955 /nfs/dbraw/zinc/55/39/55/868553955.db2.gz VIZBCKWNUMOONG-UHFFFAOYSA-N 0 0 421.294 4.416 20 5 HIBDRN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1(C)C ZINC000444080838 868607305 /nfs/dbraw/zinc/60/73/05/868607305.db2.gz JDYGSKWATLRLQL-ZWKOTPCHSA-N 0 0 414.452 4.235 20 5 HIBDRN CCOC(=O)Cc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000444091161 868611220 /nfs/dbraw/zinc/61/12/20/868611220.db2.gz VKEIRKXUNMQXHR-UHFFFAOYSA-N 0 0 400.434 4.039 20 5 HIBDRN CCOC(=O)Cc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444089021 868611550 /nfs/dbraw/zinc/61/15/50/868611550.db2.gz PCMMNWADHKMSLB-UHFFFAOYSA-N 0 0 418.424 4.178 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@H]1Cc1ccccc1 ZINC000444102978 868618631 /nfs/dbraw/zinc/61/86/31/868618631.db2.gz GNDJUIAOKBIVEE-KRWDZBQOSA-N 0 0 404.416 4.417 20 5 HIBDRN COc1cc(CCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccc1C ZINC000444103918 868619867 /nfs/dbraw/zinc/61/98/67/868619867.db2.gz WGVLCZQGXZJQSF-UHFFFAOYSA-N 0 0 422.431 4.249 20 5 HIBDRN CCc1cnc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)s1 ZINC000444110387 868623432 /nfs/dbraw/zinc/62/34/32/868623432.db2.gz JQERXFJHVTZGDI-UHFFFAOYSA-N 0 0 413.449 4.251 20 5 HIBDRN CO[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccc(Cl)c1 ZINC000444126439 868631965 /nfs/dbraw/zinc/63/19/65/868631965.db2.gz SYGWNFQAVOVEMD-OAQYLSRUSA-N 0 0 406.869 4.452 20 5 HIBDRN Cc1ccc2c(CCNC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cn(C)c2c1 ZINC000444133362 868635599 /nfs/dbraw/zinc/63/55/99/868635599.db2.gz UBXHRINLXVJEBX-UHFFFAOYSA-N 0 0 406.486 4.312 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)cc1[N+](=O)[O-] ZINC000444162431 868644154 /nfs/dbraw/zinc/64/41/54/868644154.db2.gz ANWISHOYKARMEV-HNNXBMFYSA-N 0 0 404.422 4.331 20 5 HIBDRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444176389 868650501 /nfs/dbraw/zinc/65/05/01/868650501.db2.gz PBZANELMOAMAGY-MCMMXHMISA-N 0 0 414.452 4.141 20 5 HIBDRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444177685 868650765 /nfs/dbraw/zinc/65/07/65/868650765.db2.gz ZFJWOBOHYZHTFD-DMZKTXOQSA-N 0 0 414.452 4.141 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[C@H](C)CO2)c1 ZINC000444199774 868661540 /nfs/dbraw/zinc/66/15/40/868661540.db2.gz SAGKRHIJXQMVLK-VGOFRKELSA-N 0 0 411.502 4.311 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000444204861 868665149 /nfs/dbraw/zinc/66/51/49/868665149.db2.gz KJJPLUISMPORKZ-UHFFFAOYSA-N 0 0 418.368 4.106 20 5 HIBDRN COc1cc(F)c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1F ZINC000444227989 868677544 /nfs/dbraw/zinc/67/75/44/868677544.db2.gz SJPPLSQAYYTYHL-UHFFFAOYSA-N 0 0 416.330 4.499 20 5 HIBDRN O=C(NCCc1cc2ccccc2[nH]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444236161 868684101 /nfs/dbraw/zinc/68/41/01/868684101.db2.gz HVPBCIUAKDBQPB-UHFFFAOYSA-N 0 0 417.415 4.413 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(CCCO)Cc1cccc(Cl)c1 ZINC000444237356 868686273 /nfs/dbraw/zinc/68/62/73/868686273.db2.gz IKJRWFPGJREXDM-UHFFFAOYSA-N 0 0 420.896 4.360 20 5 HIBDRN C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@@H]1COc2ccccc21 ZINC000444238162 868687230 /nfs/dbraw/zinc/68/72/30/868687230.db2.gz OFFVTSSMTIHHEL-UGSOOPFHSA-N 0 0 402.425 4.115 20 5 HIBDRN O=C(NCc1ccn(C2CCCC2)n1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444238216 868687236 /nfs/dbraw/zinc/68/72/36/868687236.db2.gz AIIUEQXGCSKFCU-UHFFFAOYSA-N 0 0 404.445 4.062 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000444238390 868687527 /nfs/dbraw/zinc/68/75/27/868687527.db2.gz JPPGBLUKCQXIND-SFHVURJKSA-N 0 0 422.488 4.336 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000444237885 868687601 /nfs/dbraw/zinc/68/76/01/868687601.db2.gz FDZOLIQAFSHBJV-FQEVSTJZSA-N 0 0 412.489 4.155 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](c2ccsc2)C1 ZINC000444238846 868687710 /nfs/dbraw/zinc/68/77/10/868687710.db2.gz GGZZKFDZCLPKKS-SFHVURJKSA-N 0 0 408.454 4.096 20 5 HIBDRN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444241688 868690887 /nfs/dbraw/zinc/69/08/87/868690887.db2.gz OHTMPDWBKGQYCN-GAQQMNMRSA-N 0 0 424.447 4.037 20 5 HIBDRN O=C(N[C@H]1COc2ccc(Cl)cc21)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444241313 868690983 /nfs/dbraw/zinc/69/09/83/868690983.db2.gz SFDCCSXVEKGJCA-KRWDZBQOSA-N 0 0 408.816 4.337 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)c1[N+](=O)[O-] ZINC000444259156 868704550 /nfs/dbraw/zinc/70/45/50/868704550.db2.gz WHMHGWWTSJGWFX-QGZVFWFLSA-N 0 0 414.849 4.062 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444289210 868718164 /nfs/dbraw/zinc/71/81/64/868718164.db2.gz MVRNMTQABHIVDN-GGAORHGYSA-N 0 0 420.415 4.220 20 5 HIBDRN O=C(c1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)c1cccc(O)c1 ZINC000444287428 868718342 /nfs/dbraw/zinc/71/83/42/868718342.db2.gz MPLHSTCHHMBCJW-UHFFFAOYSA-N 0 0 416.433 4.336 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc(C2CC2)n1C1CC1 ZINC000468294778 882219624 /nfs/dbraw/zinc/21/96/24/882219624.db2.gz LNLUZVDWXWHZHB-UHFFFAOYSA-N 0 0 415.519 4.077 20 5 HIBDRN CSc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccn1 ZINC000444291348 868719560 /nfs/dbraw/zinc/71/95/60/868719560.db2.gz QGPSQUBPLCNWBV-UHFFFAOYSA-N 0 0 411.433 4.006 20 5 HIBDRN O=C(NCc1ccnc(OC2CCC2)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444290394 868719749 /nfs/dbraw/zinc/71/97/49/868719749.db2.gz OMJWBCSNMSFCCI-UHFFFAOYSA-N 0 0 417.440 4.077 20 5 HIBDRN CC1(C)C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C(C)(C)O1 ZINC000444290910 868719823 /nfs/dbraw/zinc/71/98/23/868719823.db2.gz SFDUAVJDLXREJE-QGZVFWFLSA-N 0 0 400.425 4.035 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(Cc2cccnc2)CC1 ZINC000444291701 868719971 /nfs/dbraw/zinc/71/99/71/868719971.db2.gz UBVQCXFJXYCIOV-UHFFFAOYSA-N 0 0 415.468 4.310 20 5 HIBDRN Cc1c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cnn1CC(C)C ZINC000444296122 868726003 /nfs/dbraw/zinc/72/60/03/868726003.db2.gz UEZFNMQNVQJWDR-UHFFFAOYSA-N 0 0 410.424 4.373 20 5 HIBDRN O=C(Nc1cccc(CCCO)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444300764 868730145 /nfs/dbraw/zinc/73/01/45/868730145.db2.gz JCOCWJTYVYHRNH-UHFFFAOYSA-N 0 0 408.404 4.137 20 5 HIBDRN O=C(Nc1cccc(CCCO)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444300570 868730438 /nfs/dbraw/zinc/73/04/38/868730438.db2.gz ICOXAOYMDMWXJF-UHFFFAOYSA-N 0 0 408.404 4.137 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2cccc(OCc3cccc(OC)c3)c2C)c1[N+](=O)[O-] ZINC000444325574 868751964 /nfs/dbraw/zinc/75/19/64/868751964.db2.gz GLJJOCHJFFKJPY-UHFFFAOYSA-N 0 0 410.430 4.029 20 5 HIBDRN O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444327315 868754402 /nfs/dbraw/zinc/75/44/02/868754402.db2.gz FUPBBXLCJDFWEK-UHFFFAOYSA-N 0 0 409.449 4.244 20 5 HIBDRN C[C@H](C1CC1)n1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cn1 ZINC000444325856 868755143 /nfs/dbraw/zinc/75/51/43/868755143.db2.gz BMWZSSXVWXFYGQ-LLVKDONJSA-N 0 0 408.408 4.379 20 5 HIBDRN C[C@H](C1CC1)n1cc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cn1 ZINC000444333317 868758580 /nfs/dbraw/zinc/75/85/80/868758580.db2.gz XEYFXXBCQZTJBG-LLVKDONJSA-N 0 0 408.408 4.379 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)CC2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000444363951 868791226 /nfs/dbraw/zinc/79/12/26/868791226.db2.gz OQTONHXMKFVACM-UHFFFAOYSA-N 0 0 400.500 4.027 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1ncn(C)n1 ZINC000444372645 868798414 /nfs/dbraw/zinc/79/84/14/868798414.db2.gz QPKTVGGUSQXSDZ-LLVKDONJSA-N 0 0 417.878 4.019 20 5 HIBDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000444410240 868815164 /nfs/dbraw/zinc/81/51/64/868815164.db2.gz LXIIGSKNZSYHOC-RNODOKPDSA-N 0 0 415.877 4.425 20 5 HIBDRN 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ZINC000468541296 882580170 /nfs/dbraw/zinc/58/01/70/882580170.db2.gz FVBLSXHQUFWKBU-VIFPVBQESA-N 0 0 404.332 4.419 20 5 HIBDRN CCCCn1ncc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1C ZINC000448310841 872243039 /nfs/dbraw/zinc/24/30/39/872243039.db2.gz IKDCRFCWNZMTBZ-UHFFFAOYSA-N 0 0 400.357 4.093 20 5 HIBDRN COCCN(Cc1cncs1)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000448358285 872306751 /nfs/dbraw/zinc/30/67/51/872306751.db2.gz BXNQFYOLWWCHRR-UHFFFAOYSA-N 0 0 412.515 4.468 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000468555584 882601433 /nfs/dbraw/zinc/60/14/33/882601433.db2.gz QREDSYZGAXCCKG-QGZVFWFLSA-N 0 0 418.291 4.382 20 5 HIBDRN Cc1cccc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000468556558 882604392 /nfs/dbraw/zinc/60/43/92/882604392.db2.gz WDXAHORBEWCXKF-MRXNPFEDSA-N 0 0 418.291 4.382 20 5 HIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000468561678 882616994 /nfs/dbraw/zinc/61/69/94/882616994.db2.gz WFQIQODSSHDJBM-INIZCTEOSA-N 0 0 422.254 4.213 20 5 HIBDRN Cc1c(F)ccc(Cl)c1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000448514438 872494117 /nfs/dbraw/zinc/49/41/17/872494117.db2.gz XCDFNCBVRWXAJE-UHFFFAOYSA-N 0 0 407.785 4.023 20 5 HIBDRN O=C(Nc1cc(-c2cccc(F)c2)on1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000448538958 872539806 /nfs/dbraw/zinc/53/98/06/872539806.db2.gz RDZPUBAKJSITMU-UHFFFAOYSA-N 0 0 417.371 4.867 20 5 HIBDRN O=C(Nc1cc(-n2nnnc2C2CC2)ccc1F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000460184209 872747533 /nfs/dbraw/zinc/74/75/33/872747533.db2.gz OLWGMYBXCZTJBB-UHFFFAOYSA-N 0 0 424.417 4.054 20 5 HIBDRN CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460202699 872780657 /nfs/dbraw/zinc/78/06/57/872780657.db2.gz PRNQBSBYLSPGAH-UHFFFAOYSA-N 0 0 417.391 4.455 20 5 HIBDRN C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000460221981 872807898 /nfs/dbraw/zinc/80/78/98/872807898.db2.gz MQIWQAFTOXOKAC-LBPRGKRZSA-N 0 0 404.264 4.233 20 5 HIBDRN C[C@H]1CCN(C)c2ccccc2N1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000460227350 872813380 /nfs/dbraw/zinc/81/33/80/872813380.db2.gz KSVCUPBIIYZZFB-ZDUSSCGKSA-N 0 0 423.391 4.411 20 5 HIBDRN COC(C)(C)C[C@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000460271603 872860836 /nfs/dbraw/zinc/86/08/36/872860836.db2.gz ZTKKKDOPUQFYLA-GJZGRUSLSA-N 0 0 400.479 4.096 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000460316315 872902589 /nfs/dbraw/zinc/90/25/89/872902589.db2.gz IZGACOAJEGWYIJ-HXUWFJFHSA-N 0 0 417.391 4.227 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)Oc4cc(F)ccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000460323720 872920400 /nfs/dbraw/zinc/92/04/00/872920400.db2.gz WQSFTBLRDOCFQL-ZDUSSCGKSA-N 0 0 424.432 4.023 20 5 HIBDRN Cc1cnc([C@@H](NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000460327273 872929573 /nfs/dbraw/zinc/92/95/73/872929573.db2.gz FUKOLKCKNQIOFY-YJYMSZOUSA-N 0 0 414.531 4.477 20 5 HIBDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000460340074 872949741 /nfs/dbraw/zinc/94/97/41/872949741.db2.gz GPMFZZIYDVSHLZ-GFCCVEGCSA-N 0 0 404.264 4.090 20 5 HIBDRN CSCC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)c1nnc2ccccn21 ZINC000460361840 872992592 /nfs/dbraw/zinc/99/25/92/872992592.db2.gz IOWPBKGYUGZEJM-QGZVFWFLSA-N 0 0 415.519 4.009 20 5 HIBDRN COc1ccc(-n2c3ccccc3nc2NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000460384075 873027128 /nfs/dbraw/zinc/02/71/28/873027128.db2.gz IUKBGEHWBKCKGH-UHFFFAOYSA-N 0 0 402.410 4.124 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)CO1 ZINC000460389916 873036716 /nfs/dbraw/zinc/03/67/16/873036716.db2.gz RIYGVXMUCNSWSC-ACJLOTCBSA-N 0 0 419.275 4.268 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccccc2n1-c1ccccc1OC ZINC000460397698 873048056 /nfs/dbraw/zinc/04/80/56/873048056.db2.gz DQXPDOIGSZWNTL-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000460405633 873057356 /nfs/dbraw/zinc/05/73/56/873057356.db2.gz ARTIMHSVAPTAKE-SFHVURJKSA-N 0 0 400.475 4.404 20 5 HIBDRN COc1cccc(-n2c3ccccc3nc2NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000460406859 873058349 /nfs/dbraw/zinc/05/83/49/873058349.db2.gz PTRRULZDKJCNBB-UHFFFAOYSA-N 0 0 402.410 4.124 20 5 HIBDRN COc1ccccc1[C@H](CC(C)C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460407943 873059886 /nfs/dbraw/zinc/05/98/86/873059886.db2.gz WFKQRZWGFACESH-IBGZPJMESA-N 0 0 413.474 4.295 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1SC ZINC000460408584 873060193 /nfs/dbraw/zinc/06/01/93/873060193.db2.gz BHCZYNLJJHIITN-LIRRHRJNSA-N 0 0 416.499 4.236 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000460445331 873113322 /nfs/dbraw/zinc/11/33/22/873113322.db2.gz REABNRCLKQQEGB-AWEZNQCLSA-N 0 0 403.866 4.046 20 5 HIBDRN C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccccc1Cl ZINC000460459614 873139165 /nfs/dbraw/zinc/13/91/65/873139165.db2.gz NPVBPEONBUOQBS-MRXNPFEDSA-N 0 0 420.896 4.392 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(C[C@H]1CCCO1)C1CCCC1 ZINC000460471057 873156073 /nfs/dbraw/zinc/15/60/73/873156073.db2.gz SSIYNESRCGHXBD-LJQANCHMSA-N 0 0 404.510 4.105 20 5 HIBDRN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCCc1ccccc1[N+](=O)[O-] ZINC000460489803 873175479 /nfs/dbraw/zinc/17/54/79/873175479.db2.gz PCMCHKSZIBORBA-UHFFFAOYSA-N 0 0 401.875 4.273 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])C1(c2ccc(Br)cc2)CCC1 ZINC000460503056 873188145 /nfs/dbraw/zinc/18/81/45/873188145.db2.gz KNBJJVFFKKZLGD-UHFFFAOYSA-N 0 0 403.276 4.138 20 5 HIBDRN COc1ccc(-c2ccc(CNC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])cc2)cc1 ZINC000460557233 873275086 /nfs/dbraw/zinc/27/50/86/873275086.db2.gz NLPVZKYWTFNGOC-UHFFFAOYSA-N 0 0 422.437 4.218 20 5 HIBDRN CCN(c1ccccc1)c1ccc(CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000460575268 873311604 /nfs/dbraw/zinc/31/16/04/873311604.db2.gz GTGBGHDBICVURS-UHFFFAOYSA-N 0 0 421.501 4.273 20 5 HIBDRN Cn1c(C(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000460592428 873331371 /nfs/dbraw/zinc/33/13/71/873331371.db2.gz NHIUSRIMLVAYII-SFHVURJKSA-N 0 0 405.788 4.384 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000460605748 873349120 /nfs/dbraw/zinc/34/91/20/873349120.db2.gz ZGMMSUIRRXCRSE-BKGUAONASA-N 0 0 404.850 4.393 20 5 HIBDRN C[C@@H]1CCCN(C(=O)c2cc(C(=O)N3CCC[C@H](C)CC3)cc([N+](=O)[O-])c2)CC1 ZINC000460649953 873391315 /nfs/dbraw/zinc/39/13/15/873391315.db2.gz BVNAIZZLDAJFEK-CALCHBBNSA-N 0 0 401.507 4.119 20 5 HIBDRN CC(C)CN(C(=O)c1cc(C(=O)N(CC(C)C)C2CC2)cc([N+](=O)[O-])c1)C1CC1 ZINC000460656959 873398607 /nfs/dbraw/zinc/39/86/07/873398607.db2.gz MREWPDUJOODBRA-UHFFFAOYSA-N 0 0 401.507 4.116 20 5 HIBDRN CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCOC(C)(C)C1 ZINC000460672243 873418507 /nfs/dbraw/zinc/41/85/07/873418507.db2.gz USXDEOSAZGETOO-AWEZNQCLSA-N 0 0 403.401 4.103 20 5 HIBDRN CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCOC(C)(C)C1 ZINC000460672245 873418761 /nfs/dbraw/zinc/41/87/61/873418761.db2.gz USXDEOSAZGETOO-CQSZACIVSA-N 0 0 403.401 4.103 20 5 HIBDRN CSC1(CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000460675864 873424142 /nfs/dbraw/zinc/42/41/42/873424142.db2.gz UVFHYPMABGOZHI-UHFFFAOYSA-N 0 0 412.577 4.375 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([C@H]2CCCOC2)nn1C ZINC000468617891 882732510 /nfs/dbraw/zinc/73/25/10/882732510.db2.gz IGMFAWKPJMIDOE-AWEZNQCLSA-N 0 0 418.519 4.367 20 5 HIBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C[C@H]1O ZINC000468617481 882733352 /nfs/dbraw/zinc/73/33/52/882733352.db2.gz ACHUZZFCZDFXJA-QGZVFWFLSA-N 0 0 406.891 4.242 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)c1ccccc1 ZINC000460801472 873673027 /nfs/dbraw/zinc/67/30/27/873673027.db2.gz WVNUJUFNQPQCIT-QGZVFWFLSA-N 0 0 409.490 4.477 20 5 HIBDRN COC1(c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)CCCC1 ZINC000460817406 873698720 /nfs/dbraw/zinc/69/87/20/873698720.db2.gz MZNSMFZIVSXOOC-UHFFFAOYSA-N 0 0 400.357 4.067 20 5 HIBDRN Cc1nc2ccccc2n1CCCCCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000460869259 873776369 /nfs/dbraw/zinc/77/63/69/873776369.db2.gz NUAUCNTWDLUIPU-UHFFFAOYSA-N 0 0 419.279 4.048 20 5 HIBDRN CC(C)c1ccc(C[C@@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000460961690 873858326 /nfs/dbraw/zinc/85/83/26/873858326.db2.gz WDRJMSPUYWFGMX-HNNXBMFYSA-N 0 0 408.545 4.252 20 5 HIBDRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 ZINC000461006059 873881345 /nfs/dbraw/zinc/88/13/45/873881345.db2.gz GYBKURRAJBPYDF-IBGZPJMESA-N 0 0 407.426 4.098 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCCC2(CCOCC2)C1 ZINC000461006740 873882119 /nfs/dbraw/zinc/88/21/19/873882119.db2.gz LFCAFLFHDVDXFP-UHFFFAOYSA-N 0 0 409.486 4.240 20 5 HIBDRN C[C@@H]1CCCN(C(=O)c2cc(C(=O)N3CCC[C@H](C)[C@H]3C)cc([N+](=O)[O-])c2)[C@H]1C ZINC000461031674 873894673 /nfs/dbraw/zinc/89/46/73/873894673.db2.gz XNLJDFBBHSQHOJ-ZYGGUILKSA-N 0 0 401.507 4.116 20 5 HIBDRN CC[C@H](C)c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C[C@@H]1CCCO1 ZINC000461047961 873917372 /nfs/dbraw/zinc/91/73/72/873917372.db2.gz ITDUXIJXTJPLGN-LPHOPBHVSA-N 0 0 401.511 4.294 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)c2ccccc21 ZINC000461048634 873918612 /nfs/dbraw/zinc/91/86/12/873918612.db2.gz IKGLKFDQQGOTNK-QAPCUYQASA-N 0 0 405.458 4.288 20 5 HIBDRN CCC(CC)(CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000461074301 873971812 /nfs/dbraw/zinc/97/18/12/873971812.db2.gz JGVBKQQAPCKEKN-UHFFFAOYSA-N 0 0 400.475 4.408 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000461088185 874000906 /nfs/dbraw/zinc/00/09/06/874000906.db2.gz NYFFNDXTVLLNFP-BHYGNILZSA-N 0 0 421.284 4.113 20 5 HIBDRN CC(C)CCc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@@H]1CCCO1 ZINC000461127195 874058689 /nfs/dbraw/zinc/05/86/89/874058689.db2.gz KGXOIUJCNKJPSH-FQEVSTJZSA-N 0 0 413.522 4.123 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CC4(CC4)c4ccccc43)n2C[C@H]2CCCO2)cc1 ZINC000461136957 874077085 /nfs/dbraw/zinc/07/70/85/874077085.db2.gz ZNVJKRQZOPATIN-GOSISDBHSA-N 0 0 417.469 4.216 20 5 HIBDRN CCOc1ccc(Nc2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)cc1 ZINC000461177388 874156781 /nfs/dbraw/zinc/15/67/81/874156781.db2.gz FJRGFUIOLWMOGY-IBGZPJMESA-N 0 0 409.446 4.175 20 5 HIBDRN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCn2cncc2C1 ZINC000461193492 874190294 /nfs/dbraw/zinc/19/02/94/874190294.db2.gz KSJSMVSGRMMFPV-UHFFFAOYSA-N 0 0 414.874 4.252 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(C)c(C(F)(F)F)nn1C ZINC000461223003 874226337 /nfs/dbraw/zinc/22/63/37/874226337.db2.gz BGJKAUVDDWMHIA-UHFFFAOYSA-N 0 0 402.398 4.410 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)[C@@H](C)OC)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000461281624 874288505 /nfs/dbraw/zinc/28/85/05/874288505.db2.gz CRPSOECZVHENDH-VXGBXAGGSA-N 0 0 408.838 4.202 20 5 HIBDRN COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000461283575 874289921 /nfs/dbraw/zinc/28/99/21/874289921.db2.gz JMLPLDNPAWRJCH-IFXJQAMLSA-N 0 0 416.861 4.030 20 5 HIBDRN Nc1c(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cccc1[N+](=O)[O-] ZINC000468696920 882818231 /nfs/dbraw/zinc/81/82/31/882818231.db2.gz YTPJNYRBCZCVBU-UHFFFAOYSA-N 0 0 406.370 4.154 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCOc1ccccc1-c1ccccc1 ZINC000468698537 882819054 /nfs/dbraw/zinc/81/90/54/882819054.db2.gz MSKJHWOORABLNW-UHFFFAOYSA-N 0 0 412.467 4.156 20 5 HIBDRN COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCC3)cc1 ZINC000468702384 882820784 /nfs/dbraw/zinc/82/07/84/882820784.db2.gz ALIKKNXBIOKFQL-HNNXBMFYSA-N 0 0 424.482 4.117 20 5 HIBDRN CC(C)(C)C[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461367804 874371447 /nfs/dbraw/zinc/37/14/47/874371447.db2.gz UODFBZDQQSSLHX-LPHOPBHVSA-N 0 0 413.522 4.295 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1cccc(OC(F)(F)F)c1 ZINC000468705319 882822387 /nfs/dbraw/zinc/82/23/87/882822387.db2.gz DIFIKLKLTKBRLX-SNVBAGLBSA-N 0 0 404.366 4.070 20 5 HIBDRN CC(=O)c1ccc(-c2ccc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)o2)cc1 ZINC000461399011 874407792 /nfs/dbraw/zinc/40/77/92/874407792.db2.gz CPTFRBOWSQFIAT-UHFFFAOYSA-N 0 0 406.394 4.092 20 5 HIBDRN Cn1c(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc2cc(C(F)(F)F)ccc21 ZINC000461404053 874414618 /nfs/dbraw/zinc/41/46/18/874414618.db2.gz FQVURUBAYIQJCU-UHFFFAOYSA-N 0 0 419.359 4.140 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461405387 874416597 /nfs/dbraw/zinc/41/65/97/874416597.db2.gz JYVQFDKKLSKFHG-CVEARBPZSA-N 0 0 422.359 4.018 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461405914 874419093 /nfs/dbraw/zinc/41/90/93/874419093.db2.gz JYVQFDKKLSKFHG-HZPDHXFCSA-N 0 0 422.359 4.018 20 5 HIBDRN CSC[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1 ZINC000461485639 874548001 /nfs/dbraw/zinc/54/80/01/874548001.db2.gz JFTBEODZBPMMEM-INIZCTEOSA-N 0 0 415.544 4.295 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCOc3cccc(F)c32)cc1[N+](=O)[O-])c1ccccn1 ZINC000468752698 882843765 /nfs/dbraw/zinc/84/37/65/882843765.db2.gz ABFKUIYICZAGEN-CQSZACIVSA-N 0 0 422.416 4.341 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C12CCCCC2 ZINC000461541749 874628347 /nfs/dbraw/zinc/62/83/47/874628347.db2.gz GFVHGLGHDKNIGE-RTBURBONSA-N 0 0 422.547 4.081 20 5 HIBDRN CCO[C@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C12CCCCC2 ZINC000461546182 874633122 /nfs/dbraw/zinc/63/31/22/874633122.db2.gz UYAORYGYBGPUSR-PKTZIBPZSA-N 0 0 418.537 4.399 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C12CCCCC2 ZINC000461549515 874635991 /nfs/dbraw/zinc/63/59/91/874635991.db2.gz XLQCCVNJECCTES-VQTJNVASSA-N 0 0 401.507 4.053 20 5 HIBDRN Cc1ccn(-c2ccccc2NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000468761930 882847579 /nfs/dbraw/zinc/84/75/79/882847579.db2.gz ALIWONVNJSILLH-UHFFFAOYSA-N 0 0 400.822 4.150 20 5 HIBDRN O=C(CN(Cc1ccccc1)Cc1ccccc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000468783572 882857973 /nfs/dbraw/zinc/85/79/73/882857973.db2.gz BRHZFEXYGFSFJN-UHFFFAOYSA-N 0 0 401.466 4.186 20 5 HIBDRN CCCN(Cc1ccccc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461588077 874702386 /nfs/dbraw/zinc/70/23/86/874702386.db2.gz OBTHYVROQWXRQA-IBGZPJMESA-N 0 0 421.501 4.306 20 5 HIBDRN CC(C)(C)C1=CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)CC1 ZINC000461591564 874710351 /nfs/dbraw/zinc/71/03/51/874710351.db2.gz NWLRGJIJTNQXGS-INIZCTEOSA-N 0 0 411.506 4.072 20 5 HIBDRN O=C(NC[C@H](CO)C1CC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000461619418 874770191 /nfs/dbraw/zinc/77/01/91/874770191.db2.gz LWDAPHLSEBCCCO-CYBMUJFWSA-N 0 0 406.891 4.148 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000461633930 874790524 /nfs/dbraw/zinc/79/05/24/874790524.db2.gz KRHRFFMGZQKHAS-HNNXBMFYSA-N 0 0 408.911 4.280 20 5 HIBDRN C[C@H](c1ccco1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCCO1 ZINC000461677475 874827881 /nfs/dbraw/zinc/82/78/81/874827881.db2.gz CUVFUFRHJYGUAM-CRAIPNDOSA-N 0 0 411.462 4.213 20 5 HIBDRN CCOc1ccc(C(=O)CCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000461687406 874838189 /nfs/dbraw/zinc/83/81/89/874838189.db2.gz WMYUXSNTHQHKDH-NRFANRHFSA-N 0 0 414.483 4.231 20 5 HIBDRN O=C(c1ccnc(OCc2ccccc2)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000461695082 874844903 /nfs/dbraw/zinc/84/49/03/874844903.db2.gz GLLAAYMXDSCVMY-JOCHJYFZSA-N 0 0 421.478 4.457 20 5 HIBDRN Cc1nn(C)c2cc(NCc3cc(I)cc([N+](=O)[O-])c3)ccc12 ZINC000461747220 874888312 /nfs/dbraw/zinc/88/83/12/874888312.db2.gz QQZRUFXGHUNOSM-UHFFFAOYSA-N 0 0 422.226 4.007 20 5 HIBDRN Cc1cc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461773140 874900231 /nfs/dbraw/zinc/90/02/31/874900231.db2.gz IGJPHQVSRZIHCJ-ZDUSSCGKSA-N 0 0 413.440 4.397 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@H]4CCC[C@H]43)n2C[C@H]2CCCCO2)cc1 ZINC000461820597 874944426 /nfs/dbraw/zinc/94/44/26/874944426.db2.gz FOELDPFTHXXMLL-PWIZWCRZSA-N 0 0 411.506 4.191 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N(CC3CC3)CC3CC3)n2C[C@@H]2CCCCO2)c1 ZINC000461822498 874948401 /nfs/dbraw/zinc/94/84/01/874948401.db2.gz BMJYZDIIHVYEAQ-FQEVSTJZSA-N 0 0 411.506 4.049 20 5 HIBDRN C[C@@H]1CC2(CCC2)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 ZINC000461835293 874969236 /nfs/dbraw/zinc/96/92/36/874969236.db2.gz RKYHGJUYSQLHSI-APWZRJJASA-N 0 0 411.506 4.191 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N(CC3CC3)CC3CC3)n2C[C@@H]2CCCCO2)cc1 ZINC000461847042 874988454 /nfs/dbraw/zinc/98/84/54/874988454.db2.gz CMSDYSNSZYRDIY-FQEVSTJZSA-N 0 0 411.506 4.049 20 5 HIBDRN CC[C@@]1(C)CCN(C(=O)c2ccc(C(=O)N3CC[C@](C)(CC)C3)c([N+](=O)[O-])c2)C1 ZINC000468837096 882883748 /nfs/dbraw/zinc/88/37/48/882883748.db2.gz FALCNICKKNZZHZ-VXKWHMMOSA-N 0 0 401.507 4.119 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(c2nnc(-c3ccoc3)n2C[C@H]2CCCCO2)C2CC2)c1 ZINC000461858278 875005463 /nfs/dbraw/zinc/00/54/63/875005463.db2.gz VGCOSJANJNTHBW-HXUWFJFHSA-N 0 0 423.473 4.184 20 5 HIBDRN CC(C)(CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000468841178 882885617 /nfs/dbraw/zinc/88/56/17/882885617.db2.gz FMVZQVDQYVDWAR-UHFFFAOYSA-N 0 0 416.421 4.011 20 5 HIBDRN Cc1cc(N2CCC(OC[C@@H]3CCCCO3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461943540 875076910 /nfs/dbraw/zinc/07/69/10/875076910.db2.gz GRUUDRWBMPHVSM-HNNXBMFYSA-N 0 0 402.413 4.477 20 5 HIBDRN Cc1cc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461970668 875095394 /nfs/dbraw/zinc/09/53/94/875095394.db2.gz KNEHDKPJMOSNCG-CQSZACIVSA-N 0 0 400.357 4.006 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CCC[C@@H](S(C)(=O)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000462069218 875180122 /nfs/dbraw/zinc/18/01/22/875180122.db2.gz YDNBEWHFTRPPAH-GOSISDBHSA-N 0 0 420.556 4.063 20 5 HIBDRN CN(C(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000462118913 875221902 /nfs/dbraw/zinc/22/19/02/875221902.db2.gz WKCASHIBQDQUQW-PKOBYXMFSA-N 0 0 401.260 4.224 20 5 HIBDRN CN(C(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000462118910 875222014 /nfs/dbraw/zinc/22/20/14/875222014.db2.gz WKCASHIBQDQUQW-HKUYNNGSSA-N 0 0 401.260 4.224 20 5 HIBDRN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000462149573 875245474 /nfs/dbraw/zinc/24/54/74/875245474.db2.gz QLHVTSUGBRZJDJ-HXUWFJFHSA-N 0 0 409.490 4.052 20 5 HIBDRN CC[C@@]1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)OCCc2ccccc21 ZINC000462171117 875266048 /nfs/dbraw/zinc/26/60/48/875266048.db2.gz YUFXFEIWNGDKAR-QHCPKHFHSA-N 0 0 409.486 4.147 20 5 HIBDRN CC[C@]1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)OCCc2ccccc21 ZINC000462171116 875266540 /nfs/dbraw/zinc/26/65/40/875266540.db2.gz YUFXFEIWNGDKAR-HSZRJFAPSA-N 0 0 409.486 4.147 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)CNc2cc([N+](=O)[O-])c(C)cc2C)c(OC)c1 ZINC000462213009 875322212 /nfs/dbraw/zinc/32/22/12/875322212.db2.gz SUHHLKUCQQQFHV-IBGZPJMESA-N 0 0 413.474 4.004 20 5 HIBDRN O=C(c1ccc(Cl)cc1NCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1CCO ZINC000462214973 875323738 /nfs/dbraw/zinc/32/37/38/875323738.db2.gz UQBYBEQWAANDTF-KRWDZBQOSA-N 0 0 417.893 4.237 20 5 HIBDRN C[C@H](CC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000462273395 875401266 /nfs/dbraw/zinc/40/12/66/875401266.db2.gz PVURYVFRCRLILB-GFCCVEGCSA-N 0 0 409.255 4.349 20 5 HIBDRN CC[C@H](c1ccncc1)N(CC)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462333049 875449419 /nfs/dbraw/zinc/44/94/19/875449419.db2.gz IJRGPLXASZSWPP-CQSZACIVSA-N 0 0 418.302 4.459 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCc2c(Cl)cccc2C1 ZINC000462355184 875468102 /nfs/dbraw/zinc/46/81/02/875468102.db2.gz YBFDEECPZPVTQB-UHFFFAOYSA-N 0 0 421.689 4.302 20 5 HIBDRN CCCOc1ccc(Br)cc1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000462363856 875476504 /nfs/dbraw/zinc/47/65/04/875476504.db2.gz DZMBPXBVZDMGOY-UHFFFAOYSA-N 0 0 401.644 4.010 20 5 HIBDRN O=C(CCc1ccccc1)N1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000462379633 875491586 /nfs/dbraw/zinc/49/15/86/875491586.db2.gz KMAXEDHVBMZRMY-UHFFFAOYSA-N 0 0 419.428 4.232 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1I ZINC000462389849 875500760 /nfs/dbraw/zinc/50/07/60/875500760.db2.gz ORARHJALIJJMRY-CYBMUJFWSA-N 0 0 424.238 4.407 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000462418048 875524230 /nfs/dbraw/zinc/52/42/30/875524230.db2.gz XFRSGAPRKRUUQH-INIZCTEOSA-N 0 0 417.893 4.292 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2noc(C)n2)CCCCCC1 ZINC000462424009 875531154 /nfs/dbraw/zinc/53/11/54/875531154.db2.gz WTAVFOZCIJQBPE-KRWDZBQOSA-N 0 0 400.479 4.221 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000462433606 875538773 /nfs/dbraw/zinc/53/87/73/875538773.db2.gz UVQGIFMFUKXGHH-LPHOPBHVSA-N 0 0 411.502 4.465 20 5 HIBDRN Cc1cc(F)c2c(c1)CCCN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462433753 875541238 /nfs/dbraw/zinc/54/12/38/875541238.db2.gz XIBONSUMKVBIEZ-UHFFFAOYSA-N 0 0 419.261 4.491 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000462439478 875544659 /nfs/dbraw/zinc/54/46/59/875544659.db2.gz HJUJORFACTYPJO-GOSISDBHSA-N 0 0 409.486 4.428 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN([C@H](C)c2ccsc2)CC1 ZINC000462447469 875555077 /nfs/dbraw/zinc/55/50/77/875555077.db2.gz OIWTYBXOQXXGGO-ZIAGYGMSSA-N 0 0 422.938 4.016 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000462479186 875586115 /nfs/dbraw/zinc/58/61/15/875586115.db2.gz FZCHZMTULYSKEA-APWZRJJASA-N 0 0 416.449 4.499 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]1c1cccs1 ZINC000462477302 875586994 /nfs/dbraw/zinc/58/69/94/875586994.db2.gz YHMUIXAOXXRRNM-NSHDSACASA-N 0 0 407.300 4.489 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000462491309 875601714 /nfs/dbraw/zinc/60/17/14/875601714.db2.gz DOYGJPKTFXZOAV-HXUWFJFHSA-N 0 0 423.513 4.357 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)Nc1cccc2ccccc21 ZINC000462491146 875601850 /nfs/dbraw/zinc/60/18/50/875601850.db2.gz QYCYJJAAWBCJDW-KRWDZBQOSA-N 0 0 405.454 4.072 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC000462503725 875620023 /nfs/dbraw/zinc/62/00/23/875620023.db2.gz QDGKLOIPAIYTPB-GOSISDBHSA-N 0 0 409.486 4.347 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000462504438 875620478 /nfs/dbraw/zinc/62/04/78/875620478.db2.gz SJMVVLOIDMGUSQ-UHFFFAOYSA-N 0 0 411.483 4.176 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)OC)cc1OC(F)F ZINC000462506905 875623974 /nfs/dbraw/zinc/62/39/74/875623974.db2.gz XIEUXWWLLXWZLS-CYBMUJFWSA-N 0 0 422.384 4.190 20 5 HIBDRN O=C(N[C@@H]1c2ccccc2CC12CCOCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462526378 875643967 /nfs/dbraw/zinc/64/39/67/875643967.db2.gz OCWNOORVFWLHOK-JOCHJYFZSA-N 0 0 421.497 4.363 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000462536215 875655044 /nfs/dbraw/zinc/65/50/44/875655044.db2.gz HZGSQBNGWRRWSR-LBPRGKRZSA-N 0 0 410.879 4.171 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCn2c(cc3ccccc32)C1 ZINC000462561657 875688170 /nfs/dbraw/zinc/68/81/70/875688170.db2.gz XECNTOHJYUQGEC-UHFFFAOYSA-N 0 0 404.451 4.329 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462577214 875698991 /nfs/dbraw/zinc/69/89/91/875698991.db2.gz RRHAITDDDIWELQ-UHFFFAOYSA-N 0 0 424.432 4.249 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](CSc3ccccc3)C2)c1C ZINC000462584293 875703982 /nfs/dbraw/zinc/70/39/82/875703982.db2.gz YSYVABCSNQLMDO-INIZCTEOSA-N 0 0 406.529 4.015 20 5 HIBDRN CCc1cc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462608371 875720178 /nfs/dbraw/zinc/72/01/78/875720178.db2.gz WKBZELQWPPMPOH-UHFFFAOYSA-N 0 0 420.400 4.103 20 5 HIBDRN CCS[C@@H](C)c1noc(CN(C)C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000462611941 875724597 /nfs/dbraw/zinc/72/45/97/875724597.db2.gz GHCSNAKONSLDAM-ZFWWWQNUSA-N 0 0 406.508 4.019 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000462612290 875724624 /nfs/dbraw/zinc/72/46/24/875724624.db2.gz GCMKGWQFZCGSOU-RHAZPMICSA-N 0 0 402.516 4.121 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000462613111 875725288 /nfs/dbraw/zinc/72/52/88/875725288.db2.gz DIXIHKYRPBBFKH-QAPCUYQASA-N 0 0 408.458 4.015 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000462619149 875731970 /nfs/dbraw/zinc/73/19/70/875731970.db2.gz NDBIEDSMJIZEPA-BSIFCXSSSA-N 0 0 400.450 4.339 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000462624382 875736772 /nfs/dbraw/zinc/73/67/72/875736772.db2.gz ZWJIXAYNAQZORU-QAPCUYQASA-N 0 0 408.458 4.015 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000462642077 875752077 /nfs/dbraw/zinc/75/20/77/875752077.db2.gz UDLMKYORIGEHSA-GOSISDBHSA-N 0 0 423.444 4.151 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1nnnn1C(C)C ZINC000462643045 875753676 /nfs/dbraw/zinc/75/36/76/875753676.db2.gz VFUPBLLMACUQLN-MRXNPFEDSA-N 0 0 408.462 4.037 20 5 HIBDRN O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000462647735 875757071 /nfs/dbraw/zinc/75/70/71/875757071.db2.gz JSNIXQQZQJFHKV-GFCCVEGCSA-N 0 0 411.355 4.009 20 5 HIBDRN CS(=O)(=O)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 ZINC000462691947 875782968 /nfs/dbraw/zinc/78/29/68/875782968.db2.gz NFUXJWOJMLFUHZ-UHFFFAOYSA-N 0 0 419.480 4.185 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000462722038 875800514 /nfs/dbraw/zinc/80/05/14/875800514.db2.gz OKGUSZWWYPDDIU-HKUYNNGSSA-N 0 0 403.866 4.010 20 5 HIBDRN Cc1ncn(-c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2)c1C ZINC000462752458 875818431 /nfs/dbraw/zinc/81/84/31/875818431.db2.gz BACSYRNLEIKFJI-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CNc1c(C(=O)Nc2nc(-c3c[nH]c4ncccc34)c(C)s2)cccc1[N+](=O)[O-] ZINC000462765094 875825818 /nfs/dbraw/zinc/82/58/18/875825818.db2.gz HGNHNFRPZOVMFE-UHFFFAOYSA-N 0 0 408.443 4.197 20 5 HIBDRN CNc1c(C(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000462772587 875832103 /nfs/dbraw/zinc/83/21/03/875832103.db2.gz AZALBOTXHDGZGW-UHFFFAOYSA-N 0 0 414.245 4.221 20 5 HIBDRN CNc1c(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cccc1[N+](=O)[O-] ZINC000462775529 875833374 /nfs/dbraw/zinc/83/33/74/875833374.db2.gz IAROCBLBSRWFET-UHFFFAOYSA-N 0 0 405.336 4.093 20 5 HIBDRN C[C@@H]1C[C@@H](c2ccccc2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000462788182 875840037 /nfs/dbraw/zinc/84/00/37/875840037.db2.gz FICJDYOPDCKARG-WBVHZDCISA-N 0 0 411.483 4.100 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(-c4ccc(Cl)s4)o3)cc2N1 ZINC000462857943 875891594 /nfs/dbraw/zinc/89/15/94/875891594.db2.gz JMBVTNNEZDRSGX-UHFFFAOYSA-N 0 0 408.848 4.396 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCn2c(cc3ccccc32)C1 ZINC000462859764 875892342 /nfs/dbraw/zinc/89/23/42/875892342.db2.gz DRNBHHRASWSUIU-UHFFFAOYSA-N 0 0 407.473 4.152 20 5 HIBDRN CN(Cc1cc2c(cc1OC(F)F)OCO2)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000462861701 875893987 /nfs/dbraw/zinc/89/39/87/875893987.db2.gz JKBBIINCBDYACT-UHFFFAOYSA-N 0 0 403.341 4.110 20 5 HIBDRN CCN(C[C@@H](C)OC)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000462863164 875895325 /nfs/dbraw/zinc/89/53/25/875895325.db2.gz RIFBKZARLVJKGV-CQSZACIVSA-N 0 0 405.882 4.357 20 5 HIBDRN CN(C)C(=O)c1cccc(CCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000462871575 875900556 /nfs/dbraw/zinc/90/05/56/875900556.db2.gz ALKJHGWPYJVKFC-UHFFFAOYSA-N 0 0 417.465 4.182 20 5 HIBDRN CCC[C@H](CCc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000462879145 875907783 /nfs/dbraw/zinc/90/77/83/875907783.db2.gz VVPDXJPEONIAII-HXUWFJFHSA-N 0 0 411.502 4.281 20 5 HIBDRN COc1ccc([C@H](C)CCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 ZINC000462890882 875916528 /nfs/dbraw/zinc/91/65/28/875916528.db2.gz ZERWQSCEWGPPDJ-OAHLLOKOSA-N 0 0 408.458 4.174 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000462914684 875941668 /nfs/dbraw/zinc/94/16/68/875941668.db2.gz URQKKHDQPFWSPW-CRFBAAHOSA-N 0 0 404.850 4.052 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462921016 875949079 /nfs/dbraw/zinc/94/90/79/875949079.db2.gz CEWKQJSDEJYGNM-APWZRJJASA-N 0 0 409.467 4.368 20 5 HIBDRN CCc1ccc([C@@H](Nc2ccc([N+](=O)[O-])nc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000462924964 875954204 /nfs/dbraw/zinc/95/42/04/875954204.db2.gz IGHBUWHHOIHAAI-OAQYLSRUSA-N 0 0 411.483 4.157 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000462925961 875955816 /nfs/dbraw/zinc/95/58/16/875955816.db2.gz OASGSKMVWKSQMK-MRXNPFEDSA-N 0 0 422.510 4.178 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2c(F)cccc2Cl)cc1OC(F)F ZINC000462934754 875960983 /nfs/dbraw/zinc/96/09/83/875960983.db2.gz CWWLUYVSNBUVHE-SNVBAGLBSA-N 0 0 404.772 4.252 20 5 HIBDRN COc1ccc([C@H](Nc2c([N+](=O)[O-])ncn2C)c2ccccc2Cl)c(OC)c1 ZINC000462949109 875968422 /nfs/dbraw/zinc/96/84/22/875968422.db2.gz ZNYQRAVCZZBDTL-QGZVFWFLSA-N 0 0 402.838 4.200 20 5 HIBDRN CCN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000462988315 876003697 /nfs/dbraw/zinc/00/36/97/876003697.db2.gz IAAHGFLWLCNQDC-MRXNPFEDSA-N 0 0 403.866 4.111 20 5 HIBDRN CNc1c(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000462990329 876004093 /nfs/dbraw/zinc/00/40/93/876004093.db2.gz NCCXDVOEKPOTCZ-SSEXGKCCSA-N 0 0 423.494 4.338 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000462992743 876006946 /nfs/dbraw/zinc/00/69/46/876006946.db2.gz FYSDKYNIFGYYHW-QLVMHMETSA-N 0 0 400.450 4.291 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC(c2ccccc2F)C1 ZINC000462992618 876007069 /nfs/dbraw/zinc/00/70/69/876007069.db2.gz RBUKIOISSZZEJP-UHFFFAOYSA-N 0 0 408.379 4.338 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000462997239 876011279 /nfs/dbraw/zinc/01/12/79/876011279.db2.gz UBBKLLCWVYLKLL-INIZCTEOSA-N 0 0 411.433 4.317 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000463040265 876065955 /nfs/dbraw/zinc/06/59/55/876065955.db2.gz USDRMOUZNQXMLR-FUHWJXTLSA-N 0 0 401.532 4.130 20 5 HIBDRN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000463043768 876070660 /nfs/dbraw/zinc/07/06/60/876070660.db2.gz LMSGJHNMIHPKNN-HUUCEWRRSA-N 0 0 411.483 4.337 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CCC(c4noc(C5CC5)n4)CC3)cs2)c1 ZINC000463054337 876082133 /nfs/dbraw/zinc/08/21/33/876082133.db2.gz DQJAGSAYHXXWPH-UHFFFAOYSA-N 0 0 411.487 4.358 20 5 HIBDRN CS(=O)(=O)C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000463058144 876086537 /nfs/dbraw/zinc/08/65/37/876086537.db2.gz YEVTXUCUPOIYDD-LJQANCHMSA-N 0 0 416.524 4.199 20 5 HIBDRN COc1cc(S(=O)(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000468931298 882993784 /nfs/dbraw/zinc/99/37/84/882993784.db2.gz MQSRBIBJEMBRDN-NSHDSACASA-N 0 0 418.393 4.004 20 5 HIBDRN O=[N+]([O-])c1cc(F)ccc1-c1nc(-c2ccc3nc(-c4cscn4)[nH]c3c2)no1 ZINC000463177194 876234029 /nfs/dbraw/zinc/23/40/29/876234029.db2.gz JIEDJSKZVVFFSQ-UHFFFAOYSA-N 0 0 408.374 4.451 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCc1nc(-c2ccc3nc(-c4cscn4)[nH]c3c2)no1 ZINC000463180546 876237221 /nfs/dbraw/zinc/23/72/21/876237221.db2.gz GFDZPYUSRXCGSO-UHFFFAOYSA-N 0 0 419.426 4.257 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2cccnc2-n2cncn2)ccc1Oc1ccc(F)cc1 ZINC000463249888 876307819 /nfs/dbraw/zinc/30/78/19/876307819.db2.gz HHFYKPZWTHXIHJ-UHFFFAOYSA-N 0 0 406.377 4.114 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000463289112 876349430 /nfs/dbraw/zinc/34/94/30/876349430.db2.gz DYJJVNAYINTGEZ-UHFFFAOYSA-N 0 0 406.486 4.227 20 5 HIBDRN CC[C@@H](NC(=O)N1CCN([C@H](C)c2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000463315700 876374681 /nfs/dbraw/zinc/37/46/81/876374681.db2.gz PYUXSDLZHYQFPF-DNVCBOLYSA-N 0 0 402.520 4.196 20 5 HIBDRN CN(CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000463344488 876398996 /nfs/dbraw/zinc/39/89/96/876398996.db2.gz KAHPXIOGUCCDIT-NRFANRHFSA-N 0 0 401.466 4.205 20 5 HIBDRN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463359632 876413063 /nfs/dbraw/zinc/41/30/63/876413063.db2.gz GRJYHQHDXNMLEG-UHFFFAOYSA-N 0 0 407.348 4.102 20 5 HIBDRN CCN(Cc1ccc(OC)cc1OC)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463423236 876479159 /nfs/dbraw/zinc/47/91/59/876479159.db2.gz HBDSJRLAJGLRLH-UHFFFAOYSA-N 0 0 412.364 4.293 20 5 HIBDRN COc1cc(CSc2nnc(NCc3ccc(F)cc3)s2)c([N+](=O)[O-])cc1F ZINC000463443458 876500851 /nfs/dbraw/zinc/50/08/51/876500851.db2.gz OHFKEBJVIMVJED-UHFFFAOYSA-N 0 0 424.454 4.638 20 5 HIBDRN COc1cc(CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([N+](=O)[O-])cc1F ZINC000463482305 876539735 /nfs/dbraw/zinc/53/97/35/876539735.db2.gz JJJQHUYMRSVOEY-AEFFLSMTSA-N 0 0 415.248 4.139 20 5 HIBDRN CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463529960 876605133 /nfs/dbraw/zinc/60/51/33/876605133.db2.gz AKPSGPUCLMLOLI-UHFFFAOYSA-N 0 0 412.254 4.275 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000463538899 876620104 /nfs/dbraw/zinc/62/01/04/876620104.db2.gz CISAQSNQOOKCAE-INIZCTEOSA-N 0 0 416.302 4.106 20 5 HIBDRN COc1cc(S(=O)(=O)N(Cc2ccco2)c2ccc(F)cc2C)ccc1[N+](=O)[O-] ZINC000468987715 883054639 /nfs/dbraw/zinc/05/46/39/883054639.db2.gz OPZNSIFMGCEFRL-UHFFFAOYSA-N 0 0 420.418 4.039 20 5 HIBDRN COc1ccc(NC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000463661397 876782440 /nfs/dbraw/zinc/78/24/40/876782440.db2.gz PKMCOPKLPVAMFA-NNUKFRKNSA-N 0 0 420.263 4.434 20 5 HIBDRN CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 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C[C@@H](C(=O)Nc1ccc(CN(C)C)c(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000467027136 880826668 /nfs/dbraw/zinc/82/66/68/880826668.db2.gz UHJNVEWKXSWHME-LLVKDONJSA-N 0 0 424.270 4.300 20 5 HIBDRN O=C(C[C@@H]1CCCCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000467076092 880852109 /nfs/dbraw/zinc/85/21/09/880852109.db2.gz SCFDCQZUGTWNRE-INIZCTEOSA-N 0 0 422.528 4.004 20 5 HIBDRN Cc1c(NC(=O)NCc2cc3cc(Br)ccc3[nH]2)cccc1[N+](=O)[O-] ZINC000467092249 880857524 /nfs/dbraw/zinc/85/75/24/880857524.db2.gz PJYVVMLQXLMOKK-UHFFFAOYSA-N 0 0 403.236 4.469 20 5 HIBDRN COc1cc(CCNC(=O)[C@@H](C)Sc2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000512372309 921112687 /nfs/dbraw/zinc/11/26/87/921112687.db2.gz VBVWCVGMHAVGTM-GFCCVEGCSA-N 0 0 424.906 4.105 20 5 HIBDRN COCc1ccc([C@H]2CCCN2[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000467119678 880876003 /nfs/dbraw/zinc/87/60/03/880876003.db2.gz BTENYSATGPWOET-YVEFUNNKSA-N 0 0 407.854 4.152 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000467159224 880891812 /nfs/dbraw/zinc/89/18/12/880891812.db2.gz OQUQKFXDHAVKKN-LBPRGKRZSA-N 0 0 404.854 4.098 20 5 HIBDRN COCCCCN(Cc1ccccc1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467211254 880940404 /nfs/dbraw/zinc/94/04/04/880940404.db2.gz IBNBVMDIWLWXEP-UHFFFAOYSA-N 0 0 405.882 4.387 20 5 HIBDRN C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(N2CCCC2)c1 ZINC000467217614 880947121 /nfs/dbraw/zinc/94/71/21/880947121.db2.gz LZVUWDJVHMZZIS-CQSZACIVSA-N 0 0 402.882 4.409 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000467217704 880947459 /nfs/dbraw/zinc/94/74/59/880947459.db2.gz MJCALJWQWHLNLA-SFHVURJKSA-N 0 0 419.865 4.312 20 5 HIBDRN C[C@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000467219178 880948661 /nfs/dbraw/zinc/94/86/61/880948661.db2.gz SFDBWMXEMKBLID-KPZWWZAWSA-N 0 0 407.829 4.059 20 5 HIBDRN CN1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000467223709 880953505 /nfs/dbraw/zinc/95/35/05/880953505.db2.gz GLQLNGWJSRXZPP-ROUUACIJSA-N 0 0 423.300 4.146 20 5 HIBDRN COc1ccc(C[C@H](C)CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000467225738 880954871 /nfs/dbraw/zinc/95/48/71/880954871.db2.gz ASHMFWVLYHJIGD-AWEZNQCLSA-N 0 0 405.882 4.277 20 5 HIBDRN Cc1c(F)cccc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000467349053 881102414 /nfs/dbraw/zinc/10/24/14/881102414.db2.gz ZFAUMPGAQYKGBB-KRWDZBQOSA-N 0 0 403.410 4.247 20 5 HIBDRN Cc1c(F)cccc1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000467363489 881130581 /nfs/dbraw/zinc/13/05/81/881130581.db2.gz BPBUFTLYKKJMMV-UHFFFAOYSA-N 0 0 400.332 4.295 20 5 HIBDRN COc1ccc(OCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1C(C)=O ZINC000503567583 912646847 /nfs/dbraw/zinc/64/68/47/912646847.db2.gz BTPCVDIBOUCJJQ-UHFFFAOYSA-N 0 0 411.357 4.038 20 5 HIBDRN Cc1sc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000467397488 881180394 /nfs/dbraw/zinc/18/03/94/881180394.db2.gz WWCQEPYMPDQYHT-UHFFFAOYSA-N 0 0 420.434 4.337 20 5 HIBDRN CCc1ccc([C@H](NCCN2CCc3ccccc3C2=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000467430308 881225793 /nfs/dbraw/zinc/22/57/93/881225793.db2.gz UAFZVRIJCNHJAJ-HSZRJFAPSA-N 0 0 419.481 4.128 20 5 HIBDRN CC(C)Cn1ncc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1C(F)F ZINC000467459531 881268597 /nfs/dbraw/zinc/26/85/97/881268597.db2.gz SGBIWNFUTOGZDN-UHFFFAOYSA-N 0 0 401.801 4.360 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(F)c(F)cc2I)ccc1[N+](=O)[O-] ZINC000467511241 881326215 /nfs/dbraw/zinc/32/62/15/881326215.db2.gz HAUBLYLHWLYGNT-UHFFFAOYSA-N 0 0 418.137 4.038 20 5 HIBDRN COc1cc(S(=O)(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)ccc1[N+](=O)[O-] ZINC000469057447 883131103 /nfs/dbraw/zinc/13/11/03/883131103.db2.gz SQPIBMHVNAUULH-OAHLLOKOSA-N 0 0 419.503 4.091 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000469079321 883166302 /nfs/dbraw/zinc/16/63/02/883166302.db2.gz RYLYRRBYUQAEPF-FZKQIMNGSA-N 0 0 406.891 4.329 20 5 HIBDRN O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000469163864 883261294 /nfs/dbraw/zinc/26/12/94/883261294.db2.gz YUENIFKOWCATPV-KRWDZBQOSA-N 0 0 411.458 4.420 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000469241761 883340690 /nfs/dbraw/zinc/34/06/90/883340690.db2.gz RAZVJUPHGPMMPY-AWEZNQCLSA-N 0 0 418.291 4.004 20 5 HIBDRN CC(C)c1cc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c2cnn(C(C)C)c2n1 ZINC000469253365 883349727 /nfs/dbraw/zinc/34/97/27/883349727.db2.gz WBMYMOLOCCSWDZ-UHFFFAOYSA-N 0 0 418.457 4.844 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)cc1OC ZINC000469310350 883410967 /nfs/dbraw/zinc/41/09/67/883410967.db2.gz UMXFLWYAYWRDIM-LLVKDONJSA-N 0 0 406.385 4.040 20 5 HIBDRN C[C@@]1(Cc2ccccc2)CCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000469355469 883478456 /nfs/dbraw/zinc/47/84/56/883478456.db2.gz WAKLXKPDGLXZQR-QHCPKHFHSA-N 0 0 405.454 4.146 20 5 HIBDRN COc1cc(C(=O)NCc2cc(F)c(Cl)cc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000469362315 883484725 /nfs/dbraw/zinc/48/47/25/883484725.db2.gz IXTZQWPWKILIOL-UHFFFAOYSA-N 0 0 422.718 4.066 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(OCC2CC2)c(F)c1 ZINC000469436266 883623896 /nfs/dbraw/zinc/62/38/96/883623896.db2.gz LJWNTERJTDWQGX-AWEZNQCLSA-N 0 0 424.432 4.199 20 5 HIBDRN COC(=O)c1ccc(C(C)C)c(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000469484346 883715891 /nfs/dbraw/zinc/71/58/91/883715891.db2.gz RVKANOUDRYPTNK-UHFFFAOYSA-N 0 0 409.398 4.011 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccccc2)C(C)C)cc1OC ZINC000469515498 883776255 /nfs/dbraw/zinc/77/62/55/883776255.db2.gz OFXJARGASAJHTH-QGZVFWFLSA-N 0 0 400.475 4.247 20 5 HIBDRN COc1cc(C(=O)NC[C@H](Cc2ccccc2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000469521245 883788330 /nfs/dbraw/zinc/78/83/30/883788330.db2.gz XYKNQUOQCGGONN-HNNXBMFYSA-N 0 0 422.428 4.450 20 5 HIBDRN CN(CCOc1ccc(C(F)(F)F)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000469755585 883920437 /nfs/dbraw/zinc/92/04/37/883920437.db2.gz HPKAGBOJSHZEPH-UHFFFAOYSA-N 0 0 422.363 4.174 20 5 HIBDRN CCC1(CC)CCCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 ZINC000469913395 884104027 /nfs/dbraw/zinc/10/40/27/884104027.db2.gz DGQHHGUFUINUIV-UHFFFAOYSA-N 0 0 417.535 4.307 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H](C)CC(=O)c2ccco2)cc1[N+](=O)[O-])c1ccccn1 ZINC000469954797 884158091 /nfs/dbraw/zinc/15/80/91/884158091.db2.gz YHERJAIFEGUUAA-LSDHHAIUSA-N 0 0 422.441 4.147 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2cnn(C)c2)c1 ZINC000503690400 912794597 /nfs/dbraw/zinc/79/45/97/912794597.db2.gz OISCYSSQNMAQLT-UHFFFAOYSA-N 0 0 410.499 4.427 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1c1ccccc1 ZINC000470013502 884229606 /nfs/dbraw/zinc/22/96/06/884229606.db2.gz OSWCORIZSJSVCE-UTKZUKDTSA-N 0 0 404.470 4.436 20 5 HIBDRN Cc1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1Br ZINC000470040012 884280229 /nfs/dbraw/zinc/28/02/29/884280229.db2.gz YXIIHYQWKYHFJU-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COc1cc(N[C@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)cc(OC)c1 ZINC000470072749 884327980 /nfs/dbraw/zinc/32/79/80/884327980.db2.gz POWBCJWVERYSLL-ZDUSSCGKSA-N 0 0 423.416 4.294 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000470075267 884330535 /nfs/dbraw/zinc/33/05/35/884330535.db2.gz LNCXMLSQCKIFCD-UHFFFAOYSA-N 0 0 416.275 4.348 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(F)ccc1OC(F)F ZINC000470107956 884366946 /nfs/dbraw/zinc/36/69/46/884366946.db2.gz QWAGRHBZMWLYDA-QMMMGPOBSA-N 0 0 404.728 4.395 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000470113492 884374279 /nfs/dbraw/zinc/37/42/79/884374279.db2.gz HNZNHJRZOQWVLF-UHFFFAOYSA-N 0 0 406.845 4.127 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000470116210 884376676 /nfs/dbraw/zinc/37/66/76/884376676.db2.gz SZMQHYQQNQQBMW-CQSZACIVSA-N 0 0 410.199 4.142 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)n2)cc1F ZINC000470128154 884390780 /nfs/dbraw/zinc/39/07/80/884390780.db2.gz JHUYHQWWDVTXIE-JTQLQIEISA-N 0 0 403.345 4.114 20 5 HIBDRN Cn1ccnc1[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000470144258 884410504 /nfs/dbraw/zinc/41/05/04/884410504.db2.gz ZAPCBSUOHPWRGM-INIZCTEOSA-N 0 0 403.801 4.032 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccccc2F)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470147027 884413466 /nfs/dbraw/zinc/41/34/66/884413466.db2.gz BRIDVABYBCSGSQ-UHFFFAOYSA-N 0 0 400.341 4.382 20 5 HIBDRN C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-c2ccncc2)cc1 ZINC000470190747 884489639 /nfs/dbraw/zinc/48/96/39/884489639.db2.gz PGHYXALMQBUUBN-AWEZNQCLSA-N 0 0 414.421 4.402 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000470250536 884585281 /nfs/dbraw/zinc/58/52/81/884585281.db2.gz MRTNYEMKHYLRPA-XPGWFJOJSA-N 0 0 400.500 4.420 20 5 HIBDRN CSc1ccc(C(=O)N2CCc3c(Br)cccc3C2)cc1[N+](=O)[O-] ZINC000503887047 912851116 /nfs/dbraw/zinc/85/11/16/912851116.db2.gz ULXNEXUGTUNOTM-UHFFFAOYSA-N 0 0 407.289 4.278 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cccc4cnccc43)C[C@@H]2C)c1 ZINC000470410871 884814989 /nfs/dbraw/zinc/81/49/89/884814989.db2.gz FBYVWAUUXHAGMV-HNNXBMFYSA-N 0 0 422.510 4.216 20 5 HIBDRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)n1 ZINC000470418085 884821129 /nfs/dbraw/zinc/82/11/29/884821129.db2.gz JKEOBCCXGVWKBF-ZDUSSCGKSA-N 0 0 412.471 4.075 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000470484284 884872870 /nfs/dbraw/zinc/87/28/70/884872870.db2.gz YTBXCCRNOGZQFF-UHFFFAOYSA-N 0 0 411.458 4.180 20 5 HIBDRN Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1C(=O)N1CCCCC1 ZINC000470489322 884876659 /nfs/dbraw/zinc/87/66/59/884876659.db2.gz GEIFIGJVVDWGJE-UHFFFAOYSA-N 0 0 420.469 4.192 20 5 HIBDRN Cc1cc(Br)c(F)cc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470514771 884903943 /nfs/dbraw/zinc/90/39/43/884903943.db2.gz YZYWLUKARKLXFQ-UHFFFAOYSA-N 0 0 424.226 4.100 20 5 HIBDRN COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000503946939 912878119 /nfs/dbraw/zinc/87/81/19/912878119.db2.gz LKKLLTQCABTDOV-UHFFFAOYSA-N 0 0 415.421 4.011 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NC2(c3c(Cl)cccc3Cl)CC2)cc1 ZINC000470604708 885033074 /nfs/dbraw/zinc/03/30/74/885033074.db2.gz BEKATRIRSNVSJN-UHFFFAOYSA-N 0 0 401.271 4.010 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)c1[N+](=O)[O-] ZINC000470660999 885086998 /nfs/dbraw/zinc/08/69/98/885086998.db2.gz UYUNDBPXAORHRY-UHFFFAOYSA-N 0 0 400.431 4.130 20 5 HIBDRN Cc1c(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cnn1-c1ccc(Br)cc1 ZINC000470695456 885133254 /nfs/dbraw/zinc/13/32/54/885133254.db2.gz BSOGLANHBLCMBK-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](c2ccsc2)O1 ZINC000470696458 885134883 /nfs/dbraw/zinc/13/48/83/885134883.db2.gz XJIXCHMOIDJXPP-PXAZEXFGSA-N 0 0 415.496 4.382 20 5 HIBDRN C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](c2ccsc2)O1 ZINC000470706095 885143372 /nfs/dbraw/zinc/14/33/72/885143372.db2.gz CROZHCFTUOPTNP-SJKOYZFVSA-N 0 0 415.496 4.382 20 5 HIBDRN C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@H](c2ccsc2)O1 ZINC000470742800 885204926 /nfs/dbraw/zinc/20/49/26/885204926.db2.gz AUSNGHMBPJKJSY-OPAMFIHVSA-N 0 0 418.518 4.205 20 5 HIBDRN O=C(Nc1ccccc1O[C@@H]1CCOC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000470761916 885228800 /nfs/dbraw/zinc/22/88/00/885228800.db2.gz ZVNDQKPAUNHRCW-OAHLLOKOSA-N 0 0 411.439 4.138 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1SC ZINC000470771588 885238426 /nfs/dbraw/zinc/23/84/26/885238426.db2.gz GGBFXGAUWJWEKK-OXJNMPFZSA-N 0 0 416.499 4.284 20 5 HIBDRN O=C(Nc1ccccc1O[C@@H]1CCOC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000470779596 885250916 /nfs/dbraw/zinc/25/09/16/885250916.db2.gz NTRYEDVNHDFHMG-OAHLLOKOSA-N 0 0 411.439 4.138 20 5 HIBDRN C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](c2ccsc2)O1 ZINC000470793685 885275290 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C[C@H](c1nnc(-c2ccccc2F)s1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000472768227 887613225 /nfs/dbraw/zinc/61/32/25/887613225.db2.gz IONJCIHJEWPYAD-CQSZACIVSA-N 0 0 413.478 4.136 20 5 HIBDRN Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000472830391 887678093 /nfs/dbraw/zinc/67/80/93/887678093.db2.gz XBQKPQODBDGOCT-MRXNPFEDSA-N 0 0 416.441 4.147 20 5 HIBDRN CO[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000472951752 887800822 /nfs/dbraw/zinc/80/08/22/887800822.db2.gz KHOWGVJAJWFWDG-GDBMZVCRSA-N 0 0 403.866 4.158 20 5 HIBDRN Cc1ccc(C(C)C)c(Oc2ccc(CN3CCn4ncnc4C3)cc2[N+](=O)[O-])c1 ZINC000473062508 887882848 /nfs/dbraw/zinc/88/28/48/887882848.db2.gz GBBARURMFOYODY-UHFFFAOYSA-N 0 0 407.474 4.426 20 5 HIBDRN C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000473181193 887959797 /nfs/dbraw/zinc/95/97/97/887959797.db2.gz JBDZUTQBUIXYOC-ZDUSSCGKSA-N 0 0 415.456 4.285 20 5 HIBDRN COc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000473195656 887973795 /nfs/dbraw/zinc/97/37/95/887973795.db2.gz SLHHBPRCKKACHT-QGZVFWFLSA-N 0 0 419.865 4.099 20 5 HIBDRN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000473207708 887983268 /nfs/dbraw/zinc/98/32/68/887983268.db2.gz JFLJJVIUTULMEB-UHFFFAOYSA-N 0 0 408.241 4.322 20 5 HIBDRN O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000473251674 888016859 /nfs/dbraw/zinc/01/68/59/888016859.db2.gz ASQOXMIEFRADMF-UHFFFAOYSA-N 0 0 423.326 4.146 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000473293781 888046309 /nfs/dbraw/zinc/04/63/09/888046309.db2.gz RCOCXSJNCKTHJS-LIRRHRJNSA-N 0 0 408.462 4.013 20 5 HIBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000473314818 888060400 /nfs/dbraw/zinc/06/04/00/888060400.db2.gz LEQQNDYUSZTDBJ-UHFFFAOYSA-N 0 0 421.497 4.298 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000473335490 888070201 /nfs/dbraw/zinc/07/02/01/888070201.db2.gz NRTMFWCUSIXGOA-UHFFFAOYSA-N 0 0 419.771 4.429 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000473512447 888242120 /nfs/dbraw/zinc/24/21/20/888242120.db2.gz IGWNGUNQLULNID-GOSISDBHSA-N 0 0 414.259 4.483 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000473512449 888242191 /nfs/dbraw/zinc/24/21/91/888242191.db2.gz IGWNGUNQLULNID-SFHVURJKSA-N 0 0 414.259 4.483 20 5 HIBDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000473532373 888269749 /nfs/dbraw/zinc/26/97/49/888269749.db2.gz PXEUGXKXQJRPNJ-MUDIAHQHSA-N 0 0 402.497 4.380 20 5 HIBDRN CC(C)c1ccc(C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)cc1[N+](=O)[O-] ZINC000473630217 888370380 /nfs/dbraw/zinc/37/03/80/888370380.db2.gz GPPFRXZHEZZPHP-GOSISDBHSA-N 0 0 409.446 4.290 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Nc2ccc(F)cc2OC2CCOCC2)cccc1[N+](=O)[O-] ZINC000504424871 913239111 /nfs/dbraw/zinc/23/91/11/913239111.db2.gz ULMJUWNXNIFANT-AWEZNQCLSA-N 0 0 417.437 4.039 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 ZINC000473648893 888396105 /nfs/dbraw/zinc/39/61/05/888396105.db2.gz OOKICMCLQAFFBH-UHFFFAOYSA-N 0 0 413.455 4.003 20 5 HIBDRN COc1cccc(C(=O)c2ccc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000473662095 888415530 /nfs/dbraw/zinc/41/55/30/888415530.db2.gz VOCVUXWUISWRFU-OAHLLOKOSA-N 0 0 404.422 4.325 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000473761720 888555417 /nfs/dbraw/zinc/55/54/17/888555417.db2.gz CYPHCHFOJGTZAY-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000473763506 888558442 /nfs/dbraw/zinc/55/84/42/888558442.db2.gz JZZRSVBPOHPKPZ-UHFFFAOYSA-N 0 0 406.794 4.267 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CSc3nnc(-c4ccco4)n3Cc3ccco3)nc2c1 ZINC000473786757 888597970 /nfs/dbraw/zinc/59/79/70/888597970.db2.gz NDPIMRWOWJHQCH-UHFFFAOYSA-N 0 0 422.426 4.256 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)CCc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000504486086 913277837 /nfs/dbraw/zinc/27/78/37/913277837.db2.gz FTMZNZSLXSAPBN-SFHVURJKSA-N 0 0 420.412 4.005 20 5 HIBDRN CC(=O)c1ccc(N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000473916698 888798231 /nfs/dbraw/zinc/79/82/31/888798231.db2.gz UQJRAAFOUIJPJW-OAHLLOKOSA-N 0 0 408.241 4.322 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1cc3cc([N+](=O)[O-])ccc3o1)O[C@@H](C)C2 ZINC000504494404 913284002 /nfs/dbraw/zinc/28/40/02/913284002.db2.gz DCNCOEDFJWESNF-IWEFOYFVSA-N 0 0 422.437 4.349 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N[C@H]3c4ccccc4C[C@@H]3O)c([N+](=O)[O-])c2)cc1 ZINC000474139127 888961879 /nfs/dbraw/zinc/96/18/79/888961879.db2.gz PQNFNJSUWKMYOG-VXKWHMMOSA-N 0 0 403.438 4.226 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1CSc1nnc(N2CCCCC2)n1Cc1ccco1 ZINC000504507838 913299374 /nfs/dbraw/zinc/29/93/74/913299374.db2.gz OBUKVAMRYSHKGC-UHFFFAOYSA-N 0 0 417.466 4.249 20 5 HIBDRN COc1ccc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)(C)C)c(OC)c1 ZINC000474170544 889009224 /nfs/dbraw/zinc/00/92/24/889009224.db2.gz DSWIBEKWHQHUOE-UHFFFAOYSA-N 0 0 415.490 4.160 20 5 HIBDRN Cc1c(Br)cc(C(=O)N(C)CC2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000474198260 889035860 /nfs/dbraw/zinc/03/58/60/889035860.db2.gz GIZRSFFRTZTFTQ-UHFFFAOYSA-N 0 0 403.276 4.470 20 5 HIBDRN O=C(c1cc2[nH]ccc2s1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000474202102 889040145 /nfs/dbraw/zinc/04/01/45/889040145.db2.gz ZYTPQWKOZCSORQ-UHFFFAOYSA-N 0 0 424.404 4.119 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000474214025 889051816 /nfs/dbraw/zinc/05/18/16/889051816.db2.gz HQWUCWNLGKMAMH-CYBMUJFWSA-N 0 0 417.874 4.350 20 5 HIBDRN CC(=O)Nc1ncccc1NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000474217350 889055422 /nfs/dbraw/zinc/05/54/22/889055422.db2.gz GEOWHABRBSZSRQ-UHFFFAOYSA-N 0 0 402.476 4.339 20 5 HIBDRN CN(CC1(c2ccccc2)CC1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000474223796 889063879 /nfs/dbraw/zinc/06/38/79/889063879.db2.gz UYOKERFUKLXANW-UHFFFAOYSA-N 0 0 408.376 4.340 20 5 HIBDRN COCCN(C(=O)c1cc(C(C)C)no1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000504534988 913315187 /nfs/dbraw/zinc/31/51/87/913315187.db2.gz WVFQMPXRWFPITB-UHFFFAOYSA-N 0 0 416.459 4.123 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)s1 ZINC000474299303 889163578 /nfs/dbraw/zinc/16/35/78/889163578.db2.gz OZQQJFKMULYLRE-UHFFFAOYSA-N 0 0 420.434 4.243 20 5 HIBDRN COc1c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cccc1[N+](=O)[O-] ZINC000474433707 889299311 /nfs/dbraw/zinc/29/93/11/889299311.db2.gz VLYSUXFLIMLLBV-UHFFFAOYSA-N 0 0 409.423 4.403 20 5 HIBDRN CCc1cnc(CN(C)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000474470869 889334081 /nfs/dbraw/zinc/33/40/81/889334081.db2.gz KEXOKTOFMLATAA-GJZGRUSLSA-N 0 0 416.547 4.368 20 5 HIBDRN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)N[C@H](c1cccs1)c1ccccc1 ZINC000504570638 913338574 /nfs/dbraw/zinc/33/85/74/913338574.db2.gz MHWMAOMGNCGFJC-QFIPXVFZSA-N 0 0 418.478 4.426 20 5 HIBDRN Cc1ccccc1CC(=O)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000504600039 913356292 /nfs/dbraw/zinc/35/62/92/913356292.db2.gz YIADCPNVQDODPP-UHFFFAOYSA-N 0 0 423.516 4.224 20 5 HIBDRN COC(=O)c1cc(C(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000474727135 889582223 /nfs/dbraw/zinc/58/22/23/889582223.db2.gz JKPUTXIXCBNUPL-CHWSQXEVSA-N 0 0 404.850 4.299 20 5 HIBDRN C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2cccnc2)cc1 ZINC000474734467 889590079 /nfs/dbraw/zinc/59/00/79/889590079.db2.gz TZEZUJLRBVXWKF-MRXNPFEDSA-N 0 0 413.437 4.334 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000474740829 889596283 /nfs/dbraw/zinc/59/62/83/889596283.db2.gz UVUFLTFVWDUTPM-MRXNPFEDSA-N 0 0 413.437 4.334 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)no1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000474771174 889629026 /nfs/dbraw/zinc/62/90/26/889629026.db2.gz AZMBMUBIEIEQTE-UHFFFAOYSA-N 0 0 417.263 4.476 20 5 HIBDRN Cc1cc(C)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1I ZINC000474772536 889630537 /nfs/dbraw/zinc/63/05/37/889630537.db2.gz FBPUATGSOFRXTB-UHFFFAOYSA-N 0 0 424.238 4.088 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2sccc2C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000474777060 889633723 /nfs/dbraw/zinc/63/37/23/889633723.db2.gz VMXHSQXJWYRONC-UHFFFAOYSA-N 0 0 420.443 4.041 20 5 HIBDRN CCOCCOc1cc(C)ccc1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000474784566 889641866 /nfs/dbraw/zinc/64/18/66/889641866.db2.gz LXBWKTGCIYUIJH-UHFFFAOYSA-N 0 0 410.268 4.088 20 5 HIBDRN COC(=O)c1cc(NCc2ccc(C)cc2OC[C@H]2CCOC2)cc(C)c1[N+](=O)[O-] ZINC000474790111 889647268 /nfs/dbraw/zinc/64/72/68/889647268.db2.gz YNBQEBMFAFWBLN-INIZCTEOSA-N 0 0 414.458 4.026 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2ccccc2c1 ZINC000474845972 889703350 /nfs/dbraw/zinc/70/33/50/889703350.db2.gz RXPAMRBORJGQBU-NRFANRHFSA-N 0 0 417.421 4.264 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000474869812 889724404 /nfs/dbraw/zinc/72/44/04/889724404.db2.gz QMOQHLSWWNCEAG-UHFFFAOYSA-N 0 0 408.376 4.399 20 5 HIBDRN COc1c(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000474873512 889727263 /nfs/dbraw/zinc/72/72/63/889727263.db2.gz SCLFKNSYNKGZRF-OAHLLOKOSA-N 0 0 419.437 4.347 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC(C)(C)C3)cc2)cc1[N+](=O)[O-] ZINC000504628738 913380614 /nfs/dbraw/zinc/38/06/14/913380614.db2.gz UNRDCTHZTOSRSN-UHFFFAOYSA-N 0 0 417.487 4.079 20 5 HIBDRN O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])o1 ZINC000474967479 889822472 /nfs/dbraw/zinc/82/24/72/889822472.db2.gz FTPBKDWYKFHBDL-OAHLLOKOSA-N 0 0 416.231 4.059 20 5 HIBDRN CC(C)(C)Oc1ccncc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000504636020 913385177 /nfs/dbraw/zinc/38/51/77/913385177.db2.gz NOUQELIUNRDGJV-UHFFFAOYSA-N 0 0 408.252 4.111 20 5 HIBDRN O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000475002892 889854320 /nfs/dbraw/zinc/85/43/20/889854320.db2.gz TXYNNAQZNGEBLM-OAQYLSRUSA-N 0 0 413.449 4.364 20 5 HIBDRN CCOc1ccc(Oc2cc(CNC(=O)c3cccc([N+](=O)[O-])c3OC)ccn2)cc1 ZINC000475035583 889888046 /nfs/dbraw/zinc/88/80/46/889888046.db2.gz VESUYEWWDGPGRN-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNc3nnc(CC(F)(F)F)s3)cs2)c1 ZINC000475044227 889894947 /nfs/dbraw/zinc/89/49/47/889894947.db2.gz CRLOYPFGLGMPOB-UHFFFAOYSA-N 0 0 401.395 4.287 20 5 HIBDRN COc1c(C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)cccc1[N+](=O)[O-] ZINC000475169882 890035356 /nfs/dbraw/zinc/03/53/56/890035356.db2.gz BPNFNEQAJOFIHN-UHFFFAOYSA-N 0 0 420.400 4.462 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000475190580 890060242 /nfs/dbraw/zinc/06/02/42/890060242.db2.gz GPCYLPXVZKUUHY-NSHDSACASA-N 0 0 424.383 4.021 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(-n2ccnn2)cc1 ZINC000475193139 890063039 /nfs/dbraw/zinc/06/30/39/890063039.db2.gz SCYXZUDHWFGLFL-LLVKDONJSA-N 0 0 420.351 4.077 20 5 HIBDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000475207363 890077694 /nfs/dbraw/zinc/07/76/94/890077694.db2.gz ABGQYMNBVIKWTN-OFJJUDJNSA-N 0 0 417.531 4.058 20 5 HIBDRN CN(Cc1nc2c(s1)CCCC2)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000475209272 890078874 /nfs/dbraw/zinc/07/88/74/890078874.db2.gz GSPAYFZJOKMGTO-UHFFFAOYSA-N 0 0 402.520 4.094 20 5 HIBDRN O=C(NCCCc1nc2ccccc2[nH]1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475213472 890083693 /nfs/dbraw/zinc/08/36/93/890083693.db2.gz FWYDUKRXOLDWFQ-UHFFFAOYSA-N 0 0 407.352 4.244 20 5 HIBDRN C[C@@H]1[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCN1c1ccccc1 ZINC000475262230 890154320 /nfs/dbraw/zinc/15/43/20/890154320.db2.gz ZGMPYSICTWFIQS-QAPCUYQASA-N 0 0 421.419 4.401 20 5 HIBDRN CCO[C@@H](CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000475276354 890172044 /nfs/dbraw/zinc/17/20/44/890172044.db2.gz AZITZRNWHIMSCP-NRFANRHFSA-N 0 0 419.522 4.133 20 5 HIBDRN Cc1nc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)ccc1[N+](=O)[O-] ZINC000475297060 890203570 /nfs/dbraw/zinc/20/35/70/890203570.db2.gz KKSIVNGAODHWHZ-UHFFFAOYSA-N 0 0 423.212 4.424 20 5 HIBDRN COC(=O)c1nc([C@H]2CCCN2C/C(C)=C\c2cccc([N+](=O)[O-])c2)sc1C ZINC000475331385 890250604 /nfs/dbraw/zinc/25/06/04/890250604.db2.gz LFPANCBCBWHLFF-OJNOIJSXSA-N 0 0 401.488 4.387 20 5 HIBDRN CCN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1c1ncc[nH]1 ZINC000475355268 890279972 /nfs/dbraw/zinc/27/99/72/890279972.db2.gz ZJRVSMRTAYOYJU-SFHVURJKSA-N 0 0 415.881 4.110 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(Cc1ccccc1)c1ccncc1 ZINC000475402402 890331095 /nfs/dbraw/zinc/33/10/95/890331095.db2.gz RQZDEKQVRQRIAR-UHFFFAOYSA-N 0 0 403.847 4.039 20 5 HIBDRN CCCOc1cc(OC)ccc1C(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000475483539 890388814 /nfs/dbraw/zinc/38/88/14/890388814.db2.gz CYCKXLOUUWMCSI-UHFFFAOYSA-N 0 0 410.430 4.139 20 5 HIBDRN CCOc1cc(N2CCN(Cc3cnc(C(C)(C)C)s3)CC2)ccc1[N+](=O)[O-] ZINC000475486453 890391755 /nfs/dbraw/zinc/39/17/55/890391755.db2.gz LDXYRTGWKMWDHF-UHFFFAOYSA-N 0 0 404.536 4.070 20 5 HIBDRN CCOc1cc(N2CCN(Cc3ccc(F)c4cccnc34)CC2)ccc1[N+](=O)[O-] ZINC000475487121 890393987 /nfs/dbraw/zinc/39/39/87/890393987.db2.gz NULMGKAPKFLABQ-UHFFFAOYSA-N 0 0 410.449 4.003 20 5 HIBDRN CCNC(=O)N(C)c1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000475492195 890398461 /nfs/dbraw/zinc/39/84/61/890398461.db2.gz BHXXJNVSDICUKF-UHFFFAOYSA-N 0 0 411.487 4.496 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000475516476 890435957 /nfs/dbraw/zinc/43/59/57/890435957.db2.gz FSLISRDUCXDSRA-RBUKOAKNSA-N 0 0 417.412 4.426 20 5 HIBDRN O=C(NCCCOc1ccc2ccccc2c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000475543771 890469128 /nfs/dbraw/zinc/46/91/28/890469128.db2.gz RBJCMFMRCKOELU-UHFFFAOYSA-N 0 0 417.421 4.201 20 5 HIBDRN COCCCN(CCc1ccc(OC)cc1)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475546767 890472098 /nfs/dbraw/zinc/47/20/98/890472098.db2.gz FPPOXMIMSOYJRV-UHFFFAOYSA-N 0 0 415.490 4.333 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475558858 890485988 /nfs/dbraw/zinc/48/59/88/890485988.db2.gz HQXJEVTVWBRYRZ-UHFFFAOYSA-N 0 0 420.853 4.024 20 5 HIBDRN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2ccccc2)cn1 ZINC000475557788 890486571 /nfs/dbraw/zinc/48/65/71/890486571.db2.gz DWBCWCXUFDDOJJ-OAHLLOKOSA-N 0 0 419.441 4.071 20 5 HIBDRN C[C@@H](CNc1ccccc1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000475561277 890490594 /nfs/dbraw/zinc/49/05/94/890490594.db2.gz LPGXUIYKFJTSEN-IRXDYDNUSA-N 0 0 419.485 4.393 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000475565369 890494395 /nfs/dbraw/zinc/49/43/95/890494395.db2.gz DQOIWZWPVSAWEK-VQIMIIECSA-N 0 0 404.417 4.057 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475566531 890495853 /nfs/dbraw/zinc/49/58/53/890495853.db2.gz OQCNXVGFIROVER-UHFFFAOYSA-N 0 0 407.474 4.460 20 5 HIBDRN CC[C@@H]1NC(=O)N(c2cccc(N[C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])c2)C1=O ZINC000475573490 890504971 /nfs/dbraw/zinc/50/49/71/890504971.db2.gz SABHYEDCOBAXEV-YSSFQJQWSA-N 0 0 422.485 4.253 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000475637293 890578777 /nfs/dbraw/zinc/57/87/77/890578777.db2.gz GIHUKZFOADCZFB-UHFFFAOYSA-N 0 0 413.409 4.155 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000475638223 890579147 /nfs/dbraw/zinc/57/91/47/890579147.db2.gz IWFOASDSPVJLFE-UHFFFAOYSA-N 0 0 409.442 4.304 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc2cccc(Cl)c2n1C ZINC000475702260 890640263 /nfs/dbraw/zinc/64/02/63/890640263.db2.gz SGMBHCBSJAIDTC-AWEZNQCLSA-N 0 0 400.866 4.020 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(N3CCO[C@H](c4ccc(F)cc4Cl)C3)n2)cc1 ZINC000475725461 890663726 /nfs/dbraw/zinc/66/37/26/890663726.db2.gz YVXVSZBQESTDKY-INIZCTEOSA-N 0 0 404.785 4.015 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000475735053 890674812 /nfs/dbraw/zinc/67/48/12/890674812.db2.gz BDKLKEYPAOCXPU-HNNXBMFYSA-N 0 0 410.243 4.086 20 5 HIBDRN Cc1nc(CC(C)C)oc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000475803438 890738738 /nfs/dbraw/zinc/73/87/38/890738738.db2.gz CVHOKRXVMKNMHS-UHFFFAOYSA-N 0 0 400.460 4.490 20 5 HIBDRN CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000475837064 890769722 /nfs/dbraw/zinc/76/97/22/890769722.db2.gz VKCJFAXXLXDJSZ-UHFFFAOYSA-N 0 0 419.846 4.190 20 5 HIBDRN COCc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000475849929 890784365 /nfs/dbraw/zinc/78/43/65/890784365.db2.gz CVCFSKXANXOKPP-UHFFFAOYSA-N 0 0 412.467 4.165 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CC3)c(C)c2)cc1OC ZINC000475854607 890789004 /nfs/dbraw/zinc/78/90/04/890789004.db2.gz QPFBCWGYOXVZEU-UHFFFAOYSA-N 0 0 400.431 4.067 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(OC(F)F)c2cccnc12 ZINC000475864271 890801551 /nfs/dbraw/zinc/80/15/51/890801551.db2.gz NJVGTSHBXOZFBL-UHFFFAOYSA-N 0 0 412.352 4.338 20 5 HIBDRN COc1cc(OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000475873827 890809588 /nfs/dbraw/zinc/80/95/88/890809588.db2.gz BMHQWTQJSZBAJR-UHFFFAOYSA-N 0 0 406.394 4.117 20 5 HIBDRN COc1c(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)cccc1[N+](=O)[O-] ZINC000475903305 890832389 /nfs/dbraw/zinc/83/23/89/890832389.db2.gz VLAGKUSDNLZGRN-UHFFFAOYSA-N 0 0 424.482 4.142 20 5 HIBDRN Cc1ccc2c(c1)CC[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)O2 ZINC000475929544 890854652 /nfs/dbraw/zinc/85/46/52/890854652.db2.gz MCJGPTXFMDZJMD-GOSISDBHSA-N 0 0 408.376 4.188 20 5 HIBDRN CCOC(=O)[C@@H](CC)S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000476000328 890926202 /nfs/dbraw/zinc/92/62/02/890926202.db2.gz TZYLQIYBVYMOGJ-TVQRCGJNSA-N 0 0 408.398 4.016 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)c2cn(C)c3ccccc23)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000476095709 891017668 /nfs/dbraw/zinc/01/76/68/891017668.db2.gz ODCMYKZQJYVTOA-OAHLLOKOSA-N 0 0 403.442 4.323 20 5 HIBDRN Cc1ccc(-n2cccn2)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000476097798 891018416 /nfs/dbraw/zinc/01/84/16/891018416.db2.gz CYJRDXHARQLGPC-UHFFFAOYSA-N 0 0 402.863 4.473 20 5 HIBDRN C[C@@](CO)(CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC000476125220 891047453 /nfs/dbraw/zinc/04/74/53/891047453.db2.gz ADCUYAAWSJCICM-QHCPKHFHSA-N 0 0 421.453 4.459 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(F)c(Br)cc1Cl ZINC000476134495 891057980 /nfs/dbraw/zinc/05/79/80/891057980.db2.gz FCHSCEPYOGGXEP-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN CC[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H](C)[S@]1=O ZINC000476154258 891078936 /nfs/dbraw/zinc/07/89/36/891078936.db2.gz MBXJGBPZAFKNEC-IQDPSLOLSA-N 0 0 417.487 4.150 20 5 HIBDRN CCOc1cc(C(=O)N2C[C@H](C)Oc3c(Cl)cccc32)c([N+](=O)[O-])cc1OC ZINC000476170460 891099915 /nfs/dbraw/zinc/09/99/15/891099915.db2.gz VKUFQNUCRHABCA-NSHDSACASA-N 0 0 406.822 4.083 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000476176424 891106105 /nfs/dbraw/zinc/10/61/05/891106105.db2.gz VDVIKYLZEKZVEK-UHFFFAOYSA-N 0 0 419.153 4.263 20 5 HIBDRN Cn1ccnc1[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000476177957 891108269 /nfs/dbraw/zinc/10/82/69/891108269.db2.gz YQPYRPWGVFLLOA-IBGZPJMESA-N 0 0 407.430 4.393 20 5 HIBDRN COc1c(C(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)cccc1[N+](=O)[O-] ZINC000476186876 891118102 /nfs/dbraw/zinc/11/81/02/891118102.db2.gz ABCCVUBUEWFPGP-UHFFFAOYSA-N 0 0 407.426 4.338 20 5 HIBDRN Cc1c(Br)scc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000476265013 891185668 /nfs/dbraw/zinc/18/56/68/891185668.db2.gz WBRDMSURYKZDFV-UHFFFAOYSA-N 0 0 403.685 4.353 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000476344299 891248464 /nfs/dbraw/zinc/24/84/64/891248464.db2.gz XJERWQURDYVISZ-GOSISDBHSA-N 0 0 421.497 4.491 20 5 HIBDRN Cc1cc(F)c(Br)cc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000476454666 891365678 /nfs/dbraw/zinc/36/56/78/891365678.db2.gz BRLJFDXFIBSVRU-UHFFFAOYSA-N 0 0 420.194 4.311 20 5 HIBDRN Cc1ccc(-c2nnc(SCc3c([N+](=O)[O-])ncn3C)n2-c2ccc(C)cc2)cc1 ZINC000476470273 891382448 /nfs/dbraw/zinc/38/24/48/891382448.db2.gz JHSCBMYHCIGCRO-UHFFFAOYSA-N 0 0 420.498 4.485 20 5 HIBDRN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2CC(F)(F)F)c(F)c1 ZINC000476502659 891414959 /nfs/dbraw/zinc/41/49/59/891414959.db2.gz FPSLAKIEXNJEHK-UHFFFAOYSA-N 0 0 413.356 4.242 20 5 HIBDRN COc1c(C(=O)Nc2nc(-c3c[nH]c4ncccc34)c(C)s2)cccc1[N+](=O)[O-] ZINC000476526954 891439704 /nfs/dbraw/zinc/43/97/04/891439704.db2.gz RGVUGYLEELVPOX-UHFFFAOYSA-N 0 0 409.427 4.164 20 5 HIBDRN Cc1nc([C@H]2CCCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cs1 ZINC000476548828 891465036 /nfs/dbraw/zinc/46/50/36/891465036.db2.gz PLRMQXVHMZFSIC-GFCCVEGCSA-N 0 0 422.315 4.192 20 5 HIBDRN CC(C)c1cnc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C ZINC000476550673 891466720 /nfs/dbraw/zinc/46/67/20/891466720.db2.gz WIVLZBSIQRFDIF-UHFFFAOYSA-N 0 0 417.516 4.306 20 5 HIBDRN COc1c(C(=O)N2CCCCc3cc(Br)ccc32)cccc1[N+](=O)[O-] ZINC000476593025 891523277 /nfs/dbraw/zinc/52/32/77/891523277.db2.gz AJILZBYUCJWCLV-UHFFFAOYSA-N 0 0 405.248 4.349 20 5 HIBDRN CCCN([C@H]1CCCc2cccnc21)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000476628073 891563773 /nfs/dbraw/zinc/56/37/73/891563773.db2.gz LVJRWFRUNFQPAH-HNNXBMFYSA-N 0 0 409.895 4.122 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cnc1N1CCCC[C@@H]1C ZINC000504846180 913571292 /nfs/dbraw/zinc/57/12/92/913571292.db2.gz LTUDYUGRXHTWEG-INIZCTEOSA-N 0 0 420.473 4.115 20 5 HIBDRN CC(C)(C)c1ccc(S(=O)(=O)CCn2ccnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000476688810 891641348 /nfs/dbraw/zinc/64/13/48/891641348.db2.gz OTMMGTPXWJVIOJ-UHFFFAOYSA-N 0 0 413.499 4.230 20 5 HIBDRN Cc1nn(CCC(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)c(C)c1[N+](=O)[O-] ZINC000476691870 891646148 /nfs/dbraw/zinc/64/61/48/891646148.db2.gz BMMHEFRZJGONLS-UHFFFAOYSA-N 0 0 403.439 4.008 20 5 HIBDRN COc1c(C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)cccc1[N+](=O)[O-] ZINC000476695121 891650994 /nfs/dbraw/zinc/65/09/94/891650994.db2.gz FTUPCANTTSNOAR-OAHLLOKOSA-N 0 0 423.238 4.482 20 5 HIBDRN COc1c(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cccc1[N+](=O)[O-] ZINC000476777582 891755288 /nfs/dbraw/zinc/75/52/88/891755288.db2.gz UJEWCFYIIHKVIF-UHFFFAOYSA-N 0 0 408.798 4.167 20 5 HIBDRN C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000476849919 891821460 /nfs/dbraw/zinc/82/14/60/891821460.db2.gz RATWLWCIHDALCM-KZULUSFZSA-N 0 0 407.829 4.231 20 5 HIBDRN CC(C)Nc1ccc(Br)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000476974358 891899823 /nfs/dbraw/zinc/89/98/23/891899823.db2.gz ZVIWDCZAWYXLPH-UHFFFAOYSA-N 0 0 410.243 4.498 20 5 HIBDRN CC1CCN(C(=O)c2ccc(NCCc3ccc(Cl)cc3[N+](=O)[O-])nc2)CC1 ZINC000476990271 891915588 /nfs/dbraw/zinc/91/55/88/891915588.db2.gz OJWFIVFYPLTROS-UHFFFAOYSA-N 0 0 402.882 4.170 20 5 HIBDRN COc1ccccc1-c1ccc(CN(C(=O)c2cc([N+](=O)[O-])nn2C)C(C)C)cc1 ZINC000477019795 891947120 /nfs/dbraw/zinc/94/71/20/891947120.db2.gz NVSXFCLXMHMZMN-UHFFFAOYSA-N 0 0 408.458 4.055 20 5 HIBDRN CCc1c(NC(=O)c2cccc([N+](=O)[O-])c2OC)cnn1-c1ccccc1Cl ZINC000477028126 891954095 /nfs/dbraw/zinc/95/40/95/891954095.db2.gz XQOBGIFOWFABON-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477053521 891984989 /nfs/dbraw/zinc/98/49/89/891984989.db2.gz YPXIGHHUWTUQKX-UPVQGACJSA-N 0 0 423.513 4.476 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477092483 892026349 /nfs/dbraw/zinc/02/63/49/892026349.db2.gz USKULJFQRRKGMY-AWEZNQCLSA-N 0 0 413.449 4.096 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000477099836 892034458 /nfs/dbraw/zinc/03/44/58/892034458.db2.gz KQHVTBKWWGOXAJ-UHFFFAOYSA-N 0 0 413.393 4.209 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(c1cccc(C(F)(F)F)c1)C(C)C ZINC000477115552 892045664 /nfs/dbraw/zinc/04/56/64/892045664.db2.gz SCQDHFQFSDENGM-UHFFFAOYSA-N 0 0 418.393 4.226 20 5 HIBDRN COc1cc(CN2CC=C(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000477173378 892093776 /nfs/dbraw/zinc/09/37/76/892093776.db2.gz FHACTPLWJGKSNZ-UHFFFAOYSA-N 0 0 406.385 4.200 20 5 HIBDRN COc1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1N1CCCCC1=O ZINC000477271551 892222388 /nfs/dbraw/zinc/22/23/88/892222388.db2.gz MBYBLNXXMIIBLD-UHFFFAOYSA-N 0 0 417.849 4.334 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000477283273 892238789 /nfs/dbraw/zinc/23/87/89/892238789.db2.gz VKYPULDYIFAQFJ-UHFFFAOYSA-N 0 0 403.653 4.100 20 5 HIBDRN COc1ccccc1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000477284709 892239943 /nfs/dbraw/zinc/23/99/43/892239943.db2.gz HPNWHAWULKUPKT-QGZVFWFLSA-N 0 0 421.291 4.363 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477320711 892285158 /nfs/dbraw/zinc/28/51/58/892285158.db2.gz LNCPNGSPERNBPH-UHFFFAOYSA-N 0 0 407.401 4.476 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000477355023 892320261 /nfs/dbraw/zinc/32/02/61/892320261.db2.gz QAEZJODPSZGMBQ-UHFFFAOYSA-N 0 0 418.902 4.262 20 5 HIBDRN NC(=O)c1ccccc1Oc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000477377917 892338335 /nfs/dbraw/zinc/33/83/35/892338335.db2.gz KLKFRAZIYNFOQU-UHFFFAOYSA-N 0 0 417.377 4.485 20 5 HIBDRN NC(=O)c1ccccc1Oc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000477377999 892338807 /nfs/dbraw/zinc/33/88/07/892338807.db2.gz UAYWGURLDAIZEV-UHFFFAOYSA-N 0 0 416.393 4.220 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000477380702 892341286 /nfs/dbraw/zinc/34/12/86/892341286.db2.gz JXBBOOKXJIWFNI-UHFFFAOYSA-N 0 0 418.877 4.182 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000477392705 892348557 /nfs/dbraw/zinc/34/85/57/892348557.db2.gz MEUSCCULKSKSQZ-UHFFFAOYSA-N 0 0 418.812 4.108 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000477394945 892351531 /nfs/dbraw/zinc/35/15/31/892351531.db2.gz BFPDTYMFORVMBK-UHFFFAOYSA-N 0 0 424.888 4.194 20 5 HIBDRN COc1ccc(CC2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000504924343 913663545 /nfs/dbraw/zinc/66/35/45/913663545.db2.gz OGFYHZVLBGPHCY-UHFFFAOYSA-N 0 0 400.500 4.177 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H]3CCCc4ccc(F)cc43)cc2)c(C)c1[N+](=O)[O-] ZINC000477496538 892499613 /nfs/dbraw/zinc/49/96/13/892499613.db2.gz AAIUAAGUOCDSMY-NRFANRHFSA-N 0 0 422.460 4.403 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CNC3(c4ccc(Br)cc4)CC3)n2)cc1 ZINC000477508594 892519821 /nfs/dbraw/zinc/51/98/21/892519821.db2.gz KYIYMIQPOZZVDE-UHFFFAOYSA-N 0 0 415.247 4.186 20 5 HIBDRN COc1cc(C(=O)NCc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])cc1OC ZINC000504930923 913672108 /nfs/dbraw/zinc/67/21/08/913672108.db2.gz RETRSRHUVQBCSW-UHFFFAOYSA-N 0 0 408.410 4.334 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc2)o1 ZINC000477573281 892638196 /nfs/dbraw/zinc/63/81/96/892638196.db2.gz NXALZDCQMPPAFF-UHFFFAOYSA-N 0 0 415.837 4.225 20 5 HIBDRN CCOc1cc(Br)ccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000477576545 892642260 /nfs/dbraw/zinc/64/22/60/892642260.db2.gz OQYBRQJRFZYMCE-UHFFFAOYSA-N 0 0 419.235 4.418 20 5 HIBDRN CSc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000477683151 892808792 /nfs/dbraw/zinc/80/87/92/892808792.db2.gz KTUVECKIXHRUPU-KRWDZBQOSA-N 0 0 416.499 4.438 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc([N+](=O)[O-])c1C ZINC000477772757 892858186 /nfs/dbraw/zinc/85/81/86/892858186.db2.gz GHFISJVMSOAXEQ-AWEZNQCLSA-N 0 0 415.515 4.267 20 5 HIBDRN CCc1ccc([C@@H]2CN(c3ncc([N+](=O)[O-])c(C)c3Br)CCO2)cc1 ZINC000477795182 892871192 /nfs/dbraw/zinc/87/11/92/892871192.db2.gz YLUHQPBNXNPETL-INIZCTEOSA-N 0 0 406.280 4.201 20 5 HIBDRN COc1ccccc1-c1nc(C2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)no1 ZINC000477804780 892877201 /nfs/dbraw/zinc/87/72/01/892877201.db2.gz DOXLZQLKJFDFIN-UHFFFAOYSA-N 0 0 409.446 4.049 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(SC)cc1 ZINC000477831347 892893498 /nfs/dbraw/zinc/89/34/98/892893498.db2.gz WMXZSFCRDWYTQG-INIZCTEOSA-N 0 0 423.878 4.396 20 5 HIBDRN CO[C@]1(C)CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000477837573 892898160 /nfs/dbraw/zinc/89/81/60/892898160.db2.gz LELAQTVJSBHEEI-DRSNIGMVSA-N 0 0 403.523 4.108 20 5 HIBDRN CO[C@]1(C)CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000477837576 892898302 /nfs/dbraw/zinc/89/83/02/892898302.db2.gz LELAQTVJSBHEEI-HYFFOGBASA-N 0 0 403.523 4.108 20 5 HIBDRN COc1ccc(N(CCC(C)C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000477897900 892965580 /nfs/dbraw/zinc/96/55/80/892965580.db2.gz XRMDKPXQTNTUBW-UHFFFAOYSA-N 0 0 408.458 4.482 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000504977312 913719275 /nfs/dbraw/zinc/71/92/75/913719275.db2.gz OZZAFZSZWXTQTQ-UHFFFAOYSA-N 0 0 408.433 4.015 20 5 HIBDRN COc1ccc2ccccc2c1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000477936843 893026287 /nfs/dbraw/zinc/02/62/87/893026287.db2.gz PTSVQADJBQBJHP-UHFFFAOYSA-N 0 0 405.454 4.287 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@](C)(CC(C)C)c2cccc(Br)c2)n1 ZINC000477982498 893081720 /nfs/dbraw/zinc/08/17/20/893081720.db2.gz WMYHNCFDUMBWNV-GOSISDBHSA-N 0 0 423.311 4.265 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000477991037 893091998 /nfs/dbraw/zinc/09/19/98/893091998.db2.gz KVBYCSYYTQSFTJ-ZWNOBZJWSA-N 0 0 406.261 4.186 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000477993084 893094875 /nfs/dbraw/zinc/09/48/75/893094875.db2.gz RBKQBMIIOQUKBO-GHMZBOCLSA-N 0 0 411.277 4.103 20 5 HIBDRN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000477994510 893096021 /nfs/dbraw/zinc/09/60/21/893096021.db2.gz AOHDFGMJBSHIFI-UHFFFAOYSA-N 0 0 401.220 4.308 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)cc([N+](=O)[O-])c1C ZINC000478007856 893118825 /nfs/dbraw/zinc/11/88/25/893118825.db2.gz ZZKIKQOVCUVFCN-GHMZBOCLSA-N 0 0 411.277 4.022 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000478013220 893127757 /nfs/dbraw/zinc/12/77/57/893127757.db2.gz DALPTKJZENBRRY-NXEZZACHSA-N 0 0 406.261 4.186 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl ZINC000478057455 893212873 /nfs/dbraw/zinc/21/28/73/893212873.db2.gz WWKZGAOLMNKFHJ-UHFFFAOYSA-N 0 0 402.882 4.162 20 5 HIBDRN CCc1nc2c(s1)[C@@H](N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000478059247 893218451 /nfs/dbraw/zinc/21/84/51/893218451.db2.gz MRJYUAMFIRZYEF-HNNXBMFYSA-N 0 0 408.911 4.215 20 5 HIBDRN C[C@@H]1CC[C@H](CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000478109715 893273438 /nfs/dbraw/zinc/27/34/38/893273438.db2.gz CJKNZZQTSBMMBS-KGLIPLIRSA-N 0 0 413.440 4.382 20 5 HIBDRN CCCC[C@](C)(NC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1cccc(Br)c1 ZINC000478114648 893280478 /nfs/dbraw/zinc/28/04/78/893280478.db2.gz UNVQYJIQDWZQKT-KRWDZBQOSA-N 0 0 409.284 4.224 20 5 HIBDRN CCCC[C@@](C)(NC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1cccc(Br)c1 ZINC000478114649 893281551 /nfs/dbraw/zinc/28/15/51/893281551.db2.gz UNVQYJIQDWZQKT-QGZVFWFLSA-N 0 0 409.284 4.224 20 5 HIBDRN CCCC[C@@](C)(NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000478134917 893306757 /nfs/dbraw/zinc/30/67/57/893306757.db2.gz NBIYXGFXVMULQP-GOSISDBHSA-N 0 0 423.311 4.409 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@H](c3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000505023251 913761219 /nfs/dbraw/zinc/76/12/19/913761219.db2.gz GKSHHXQZIRZVOD-KRWDZBQOSA-N 0 0 406.442 4.281 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000478216966 893378149 /nfs/dbraw/zinc/37/81/49/893378149.db2.gz WUJCDEYHGXCLLM-ZOCIIQOWSA-N 0 0 404.413 4.437 20 5 HIBDRN O=C1[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000505023667 913764205 /nfs/dbraw/zinc/76/42/05/913764205.db2.gz JCDNNPJQIUYUPS-ZDUSSCGKSA-N 0 0 419.224 4.472 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478244221 893410952 /nfs/dbraw/zinc/41/09/52/893410952.db2.gz NKXZBZZNEHOKGU-UHFFFAOYSA-N 0 0 410.861 4.454 20 5 HIBDRN Cc1c(NC(=O)c2cc3ccccc3c3cccnc23)cccc1N1C(=O)CNC1=O ZINC000478266520 893457994 /nfs/dbraw/zinc/45/79/94/893457994.db2.gz KBBCNDOVNUDSHC-UHFFFAOYSA-N 0 0 410.433 4.005 20 5 HIBDRN CCc1nc2c(s1)[C@H](N(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000478300233 893515684 /nfs/dbraw/zinc/51/56/84/893515684.db2.gz COBGBPXZLUIERA-QGZVFWFLSA-N 0 0 402.520 4.342 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000478335085 893570427 /nfs/dbraw/zinc/57/04/27/893570427.db2.gz FZNLXRCTRDXJJA-LAUBAEHRSA-N 0 0 422.547 4.143 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000478338325 893578223 /nfs/dbraw/zinc/57/82/23/893578223.db2.gz JTSFIXAJNJROMW-SPLOXXLWSA-N 0 0 416.861 4.064 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc([N+](=O)[O-])c1C ZINC000478345452 893589678 /nfs/dbraw/zinc/58/96/78/893589678.db2.gz JFWNJYNQICVQOT-CYBMUJFWSA-N 0 0 413.405 4.212 20 5 HIBDRN C[C@@H](CC[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)OCc1ccccc1 ZINC000478385635 893658924 /nfs/dbraw/zinc/65/89/24/893658924.db2.gz UKQRQSZMLIVTSL-GUNSETOZSA-N 0 0 414.483 4.494 20 5 HIBDRN Cc1c(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)cccc1[N+](=O)[O-] ZINC000478394052 893672895 /nfs/dbraw/zinc/67/28/95/893672895.db2.gz WRBKBPOWBGEUMN-UHFFFAOYSA-N 0 0 413.437 4.462 20 5 HIBDRN CCn1c(SCCC(=O)Nc2cccnc2)nc2cc3ccccc3cc2c1=O ZINC000478440152 893745399 /nfs/dbraw/zinc/74/53/99/893745399.db2.gz VGDSAJCNOSJNIX-UHFFFAOYSA-N 0 0 404.495 4.086 20 5 HIBDRN Cc1c(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000478464521 893788164 /nfs/dbraw/zinc/78/81/64/893788164.db2.gz SMVFCXGHRBUABB-CQSZACIVSA-N 0 0 402.756 4.039 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)c1c(Cl)cccc1Cl 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ZEFMPXUOLAFTHT-UHFFFAOYSA-N 0 0 414.405 4.230 20 5 HIBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000478509339 893819584 /nfs/dbraw/zinc/81/95/84/893819584.db2.gz ZFPOYZJTEGWWHS-UHFFFAOYSA-N 0 0 415.247 4.020 20 5 HIBDRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000478607962 893872561 /nfs/dbraw/zinc/87/25/61/893872561.db2.gz NGWDXHMCXTTWGR-UHFFFAOYSA-N 0 0 406.394 4.213 20 5 HIBDRN CCOC(=O)C1(N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000478633821 893886862 /nfs/dbraw/zinc/88/68/62/893886862.db2.gz QUEPAHZTQHCEBZ-UHFFFAOYSA-N 0 0 417.487 4.056 20 5 HIBDRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000478635609 893888349 /nfs/dbraw/zinc/88/83/49/893888349.db2.gz RXGNSOAHXNDSIR-UHFFFAOYSA-N 0 0 424.384 4.352 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1NC(=O)N(C)C ZINC000478644258 893893068 /nfs/dbraw/zinc/89/30/68/893893068.db2.gz MADZDDWGQFRWPW-UHFFFAOYSA-N 0 0 410.352 4.268 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(NC(=O)N(C)C)c1 ZINC000478646652 893893786 /nfs/dbraw/zinc/89/37/86/893893786.db2.gz XYZGYYWIVCWBOR-UHFFFAOYSA-N 0 0 402.476 4.361 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000478672148 893923168 /nfs/dbraw/zinc/92/31/68/893923168.db2.gz GIRVJABWDZHPMT-GFCCVEGCSA-N 0 0 406.870 4.435 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000478693506 893951461 /nfs/dbraw/zinc/95/14/61/893951461.db2.gz ZEUKTKXXKXJISR-NHYWBVRUSA-N 0 0 408.813 4.185 20 5 HIBDRN Cc1ccccc1C1(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCCCC1 ZINC000505104664 913820181 /nfs/dbraw/zinc/82/01/81/913820181.db2.gz NMNTZTSPCFLNLJ-UHFFFAOYSA-N 0 0 419.485 4.116 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(Cl)cc2Br)cc1[N+](=O)[O-] ZINC000478745229 894019818 /nfs/dbraw/zinc/01/98/18/894019818.db2.gz WSFMOOCQPKTQFD-UHFFFAOYSA-N 0 0 414.643 4.341 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000478767205 894043216 /nfs/dbraw/zinc/04/32/16/894043216.db2.gz YLPXQNFMDFJRJD-UHFFFAOYSA-N 0 0 410.789 4.226 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnn(C[C@@H](O)COc3c(Cl)cccc3Cl)c2)c1 ZINC000478772205 894047714 /nfs/dbraw/zinc/04/77/14/894047714.db2.gz MSNHFYHRINEUCS-OAHLLOKOSA-N 0 0 408.241 4.205 20 5 HIBDRN CCC(CC)[C@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000478783694 894059276 /nfs/dbraw/zinc/05/92/76/894059276.db2.gz ZZGXWYCZIMZKMX-CRAIPNDOSA-N 0 0 403.504 4.432 20 5 HIBDRN Cc1cnc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)o1 ZINC000478796098 894070592 /nfs/dbraw/zinc/07/05/92/894070592.db2.gz JGGHSDWYMZGWDJ-UHFFFAOYSA-N 0 0 400.822 4.087 20 5 HIBDRN COc1ccccc1C[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000478866703 894145696 /nfs/dbraw/zinc/14/56/96/894145696.db2.gz CYAZNMVPQTWMIG-RHSMWYFYSA-N 0 0 418.877 4.258 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc([N+](=O)[O-])c1C ZINC000478879600 894156912 /nfs/dbraw/zinc/15/69/12/894156912.db2.gz AFXOXDVWLBIVKB-CYBMUJFWSA-N 0 0 412.421 4.036 20 5 HIBDRN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000478903934 894184406 /nfs/dbraw/zinc/18/44/06/894184406.db2.gz SBUKEBAUAFIYKW-MRXNPFEDSA-N 0 0 416.909 4.191 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1OCc1cc(-c2ccco2)on1 ZINC000478903992 894184570 /nfs/dbraw/zinc/18/45/70/894184570.db2.gz VTOZVDLQORLYER-UHFFFAOYSA-N 0 0 412.139 4.026 20 5 HIBDRN O=C(NCCc1cccc(OCC(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000478910578 894190226 /nfs/dbraw/zinc/19/02/26/894190226.db2.gz LLGLTAFPLIJRQA-UHFFFAOYSA-N 0 0 401.316 4.039 20 5 HIBDRN CCCOc1cc(NC(=O)NCc2ccc(F)cn2)c([N+](=O)[O-])cc1OCCC ZINC000478920161 894200291 /nfs/dbraw/zinc/20/02/91/894200291.db2.gz PYPTZSGQBLMLGK-UHFFFAOYSA-N 0 0 406.414 4.028 20 5 HIBDRN COCCSc1ccc([C@H](C)NC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000505154889 913847337 /nfs/dbraw/zinc/84/73/37/913847337.db2.gz NCDPRPXJYUEEBW-AWEZNQCLSA-N 0 0 406.529 4.303 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC000478938500 894219396 /nfs/dbraw/zinc/21/93/96/894219396.db2.gz KGJPFZRCZRRVRE-MRXNPFEDSA-N 0 0 423.494 4.366 20 5 HIBDRN CN(CCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)CC(F)(F)F ZINC000478959447 894240081 /nfs/dbraw/zinc/24/00/81/894240081.db2.gz WWJMFMYCGOLPME-UHFFFAOYSA-N 0 0 411.380 4.001 20 5 HIBDRN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1OC ZINC000478961784 894241191 /nfs/dbraw/zinc/24/11/91/894241191.db2.gz QCLIYMVCKUISJU-UHFFFAOYSA-N 0 0 404.488 4.290 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000479040261 894301970 /nfs/dbraw/zinc/30/19/70/894301970.db2.gz MDAIGNXGHXEMNK-UHFFFAOYSA-N 0 0 415.515 4.011 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000505166263 913856324 /nfs/dbraw/zinc/85/63/24/913856324.db2.gz SHHKWDJDOAXUSX-UHFFFAOYSA-N 0 0 419.840 4.187 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c1[N+](=O)[O-] ZINC000479133548 894402191 /nfs/dbraw/zinc/40/21/91/894402191.db2.gz BZLVHHOATJWCSU-MRXNPFEDSA-N 0 0 415.471 4.269 20 5 HIBDRN Cc1cc(OCc2csc(CC(=O)Nc3ccccc3)n2)c(F)cc1[N+](=O)[O-] ZINC000479169496 894439023 /nfs/dbraw/zinc/43/90/23/894439023.db2.gz WXYCYZRHCMPGEI-UHFFFAOYSA-N 0 0 401.419 4.259 20 5 HIBDRN Cc1cc(C)cc([C@@H]2NC(=O)N(Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2=O)c1 ZINC000479179173 894447289 /nfs/dbraw/zinc/44/72/89/894447289.db2.gz HQIYTXXGXQNYTM-INIZCTEOSA-N 0 0 407.348 4.024 20 5 HIBDRN C[C@@H](c1ccccc1)N1CC(=O)N(Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1=O ZINC000479195873 894462422 /nfs/dbraw/zinc/46/24/22/894462422.db2.gz FLOMUTLILWWTCY-LBPRGKRZSA-N 0 0 407.348 4.139 20 5 HIBDRN COC(=O)[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)c(Cl)c1 ZINC000479244326 894508655 /nfs/dbraw/zinc/50/86/55/894508655.db2.gz NJCLTXRQCRPYDG-SFHVURJKSA-N 0 0 411.241 4.028 20 5 HIBDRN C[C@@H]1CCCCN(C(=O)c2cc(C(=O)N3CCCC[C@@H](C)C3)cc([N+](=O)[O-])c2)C1 ZINC000479264067 894534783 /nfs/dbraw/zinc/53/47/83/894534783.db2.gz STJKZBNXGPJCCT-IAGOWNOFSA-N 0 0 401.507 4.119 20 5 HIBDRN CSc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1[N+](=O)[O-] ZINC000479267843 894540799 /nfs/dbraw/zinc/54/07/99/894540799.db2.gz ANHUVMKRPUHDLY-MRXNPFEDSA-N 0 0 410.854 4.323 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)NC2(c3ccccc3)CCCC2)cc1[N+](=O)[O-] ZINC000505199365 913878834 /nfs/dbraw/zinc/87/88/34/913878834.db2.gz RTPFCXRHUXWIEZ-UHFFFAOYSA-N 0 0 423.498 4.074 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000479271084 894544114 /nfs/dbraw/zinc/54/41/14/894544114.db2.gz OPRBIKIWKKRHTO-SGTLLEGYSA-N 0 0 424.881 4.468 20 5 HIBDRN COc1cc(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000479282695 894560886 /nfs/dbraw/zinc/56/08/86/894560886.db2.gz QHIMNQXYTXOOKX-LBPRGKRZSA-N 0 0 414.327 4.302 20 5 HIBDRN CCOC(=O)c1csc([C@H]2CCCN2c2cc(C)nc3c2cccc3[N+](=O)[O-])n1 ZINC000479295596 894577992 /nfs/dbraw/zinc/57/79/92/894577992.db2.gz LHGKKNOXNAREMA-MRXNPFEDSA-N 0 0 412.471 4.426 20 5 HIBDRN Cc1cc(C)n(-c2ccc(-c3noc(C(C)(C)c4ccc([N+](=O)[O-])cc4)n3)cn2)n1 ZINC000479297310 894579548 /nfs/dbraw/zinc/57/95/48/894579548.db2.gz ABMWWZWERQXKBM-UHFFFAOYSA-N 0 0 404.430 4.168 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000479307992 894595907 /nfs/dbraw/zinc/59/59/07/894595907.db2.gz BNVMGBZXAVATGE-UHFFFAOYSA-N 0 0 424.251 4.086 20 5 HIBDRN CC(C)CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCCc2cccnc21 ZINC000479356274 894653601 /nfs/dbraw/zinc/65/36/01/894653601.db2.gz HQGYWJYQMBJDNQ-NRFANRHFSA-N 0 0 419.485 4.351 20 5 HIBDRN CC(=O)Nc1sc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)nc1-c1ccccc1 ZINC000479357742 894656711 /nfs/dbraw/zinc/65/67/11/894656711.db2.gz JBJGBUIOVDTDDV-UHFFFAOYSA-N 0 0 410.455 4.166 20 5 HIBDRN CCC(=O)c1ccc(NCC(=O)Nc2ccc(Br)cc2C)c([N+](=O)[O-])c1 ZINC000479368246 894668202 /nfs/dbraw/zinc/66/82/02/894668202.db2.gz QQSIYYHKBDKGAZ-UHFFFAOYSA-N 0 0 420.263 4.309 20 5 HIBDRN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000479392258 894695827 /nfs/dbraw/zinc/69/58/27/894695827.db2.gz KYQAMDFSJQDFJZ-INIZCTEOSA-N 0 0 414.483 4.115 20 5 HIBDRN O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000505227256 913893763 /nfs/dbraw/zinc/89/37/63/913893763.db2.gz ZCJHNMXZCALJMV-FUHWJXTLSA-N 0 0 422.384 4.131 20 5 HIBDRN CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H]2CC)cc([N+](=O)[O-])c1 ZINC000479415144 894723732 /nfs/dbraw/zinc/72/37/32/894723732.db2.gz CPNDKSOAMOMSIY-LOHFZDIYSA-N 0 0 401.507 4.116 20 5 HIBDRN COc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000479440878 894757351 /nfs/dbraw/zinc/75/73/51/894757351.db2.gz UZHNPFLHPJNVDK-UHFFFAOYSA-N 0 0 408.410 4.200 20 5 HIBDRN COC(=O)c1cc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc(Cl)c1F ZINC000479471158 894793585 /nfs/dbraw/zinc/79/35/85/894793585.db2.gz ODEXMICPJPJFIN-UHFFFAOYSA-N 0 0 405.769 4.441 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccc(N4CCNC4=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000479547016 894847592 /nfs/dbraw/zinc/84/75/92/894847592.db2.gz UMFREHDVBSOQHU-UHFFFAOYSA-N 0 0 408.414 4.005 20 5 HIBDRN CCCCOc1ccc(OC)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479617852 894887361 /nfs/dbraw/zinc/88/73/61/894887361.db2.gz LYWBDFBQWAUOSZ-UHFFFAOYSA-N 0 0 410.430 4.220 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCc3nc4c(s3)CCCC4)cc2[N+](=O)[O-])C1 ZINC000479645218 894913755 /nfs/dbraw/zinc/91/37/55/894913755.db2.gz OOWMPOYCYITGHX-CQSZACIVSA-N 0 0 414.531 4.096 20 5 HIBDRN COc1cc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc([N+](=O)[O-])c1C ZINC000479660772 894933997 /nfs/dbraw/zinc/93/39/97/894933997.db2.gz FGRQOGKICFFPLQ-UHFFFAOYSA-N 0 0 418.877 4.043 20 5 HIBDRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000479705719 895000771 /nfs/dbraw/zinc/00/07/71/895000771.db2.gz JXRJHHQNUSTHLM-SFHVURJKSA-N 0 0 418.375 4.074 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000479742892 895041339 /nfs/dbraw/zinc/04/13/39/895041339.db2.gz FFFIQWXALPVZON-SECBINFHSA-N 0 0 416.425 4.183 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000479764670 895064617 /nfs/dbraw/zinc/06/46/17/895064617.db2.gz STQKMFORMYUWHE-QGZVFWFLSA-N 0 0 409.801 4.001 20 5 HIBDRN CCC(CC)[C@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCO1 ZINC000479786463 895089790 /nfs/dbraw/zinc/08/97/90/895089790.db2.gz HPMGHFBYQOSCLG-FDDCHVKYSA-N 0 0 406.526 4.255 20 5 HIBDRN COC(=O)c1ccc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C(F)(F)F)cc1 ZINC000479822794 895138344 /nfs/dbraw/zinc/13/83/44/895138344.db2.gz LWEQFOBFLKEQHV-HNNXBMFYSA-N 0 0 411.336 4.115 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C12CCCCC2 ZINC000479833059 895154236 /nfs/dbraw/zinc/15/42/36/895154236.db2.gz WPABJLYEQCOYIJ-HZPDHXFCSA-N 0 0 411.296 4.215 20 5 HIBDRN O=C(Nc1cc(-c2ccccc2)on1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000479835966 895160139 /nfs/dbraw/zinc/16/01/39/895160139.db2.gz IKLRPHSWAWDCNI-UHFFFAOYSA-N 0 0 407.304 4.443 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NCc3cc(=O)[nH]c4ccccc34)cc2[N+](=O)[O-])CC1 ZINC000479840353 895167387 /nfs/dbraw/zinc/16/73/87/895167387.db2.gz YMMMTOYVEZSBMU-UHFFFAOYSA-N 0 0 420.469 4.015 20 5 HIBDRN Cc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1NC(=O)C(C)(C)C ZINC000479841493 895169918 /nfs/dbraw/zinc/16/99/18/895169918.db2.gz WIPRAIFVGZSHRJ-UHFFFAOYSA-N 0 0 421.457 4.326 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Sc1nnc(-c2cccc(Br)c2)o1 ZINC000479939720 895290490 /nfs/dbraw/zinc/29/04/90/895290490.db2.gz MNZGXOKBRPWNKS-UHFFFAOYSA-N 0 0 410.253 4.083 20 5 HIBDRN Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c1=O ZINC000479962785 895316192 /nfs/dbraw/zinc/31/61/92/895316192.db2.gz RWKGZPDTCDLQLA-UHFFFAOYSA-N 0 0 413.817 4.149 20 5 HIBDRN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccccc2N1 ZINC000479962758 895317125 /nfs/dbraw/zinc/31/71/25/895317125.db2.gz SUMLEBVBXGLSMY-MRXNPFEDSA-N 0 0 404.264 4.454 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000480008647 895360926 /nfs/dbraw/zinc/36/09/26/895360926.db2.gz DGYPAFQTDLKKKT-UHFFFAOYSA-N 0 0 406.508 4.111 20 5 HIBDRN O=C(Nc1ccc(CNc2ccccc2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000480042350 895390287 /nfs/dbraw/zinc/39/02/87/895390287.db2.gz ZZKGNLPCVNITGY-UHFFFAOYSA-N 0 0 414.425 4.040 20 5 HIBDRN Cc1c(CNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000480062201 895408498 /nfs/dbraw/zinc/40/84/98/895408498.db2.gz ZQFOZHAQXKVICX-SFHVURJKSA-N 0 0 424.284 4.493 20 5 HIBDRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000480062511 895412005 /nfs/dbraw/zinc/41/20/05/895412005.db2.gz ACYIKPIOPZNKME-OAQYLSRUSA-N 0 0 411.502 4.145 20 5 HIBDRN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000480072290 895422326 /nfs/dbraw/zinc/42/23/26/895422326.db2.gz KWGBWJPOQPCLJJ-XCLFUZPHSA-N 0 0 415.877 4.107 20 5 HIBDRN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000505312522 913973516 /nfs/dbraw/zinc/97/35/16/913973516.db2.gz YACNCWSDDGYZKC-UHFFFAOYSA-N 0 0 413.821 4.142 20 5 HIBDRN COc1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc([N+](=O)[O-])c1C ZINC000480109072 895481406 /nfs/dbraw/zinc/48/14/06/895481406.db2.gz XSUXFXBJEIOLDL-UHFFFAOYSA-N 0 0 418.812 4.201 20 5 HIBDRN COc1c(C(=O)Nc2nc(Sc3ccc(C)cc3)ns2)cccc1[N+](=O)[O-] ZINC000480113991 895485232 /nfs/dbraw/zinc/48/52/32/895485232.db2.gz UZEAXDGLLHJPJK-UHFFFAOYSA-N 0 0 402.457 4.167 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000480160043 895547447 /nfs/dbraw/zinc/54/74/47/895547447.db2.gz KTTKMWGTXIVYEX-UHFFFAOYSA-N 0 0 421.457 4.326 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000480166230 895556757 /nfs/dbraw/zinc/55/67/57/895556757.db2.gz GQSYUGXVXDHPIV-LBPRGKRZSA-N 0 0 417.878 4.007 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1cc(Br)ccc1Br ZINC000480186725 895583151 /nfs/dbraw/zinc/58/31/51/895583151.db2.gz AJPIOEYJKAOZPG-UHFFFAOYSA-N 0 0 418.089 4.257 20 5 HIBDRN C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000480226504 895631879 /nfs/dbraw/zinc/63/18/79/895631879.db2.gz XKKLSPBHBKGEAG-GXTWGEPZSA-N 0 0 406.845 4.026 20 5 HIBDRN O=C(NC[C@H](CO)c1ccccc1Cl)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000480286768 895692111 /nfs/dbraw/zinc/69/21/11/895692111.db2.gz CXJFWQWFRNKZLC-SNVBAGLBSA-N 0 0 417.771 4.165 20 5 HIBDRN Cc1ccc(F)c(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1Br ZINC000480303778 895707105 /nfs/dbraw/zinc/70/71/05/895707105.db2.gz DXTFWEQRXBHQSP-UHFFFAOYSA-N 0 0 407.199 4.467 20 5 HIBDRN Cc1ccc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cc1[N+](=O)[O-] ZINC000480380879 895786724 /nfs/dbraw/zinc/78/67/24/895786724.db2.gz GELJLABWUUIWMA-UHFFFAOYSA-N 0 0 401.426 4.143 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1NCc1cc(-c2ccccc2)no1 ZINC000480415614 895813731 /nfs/dbraw/zinc/81/37/31/895813731.db2.gz GTCOSDMUXQVMGT-UHFFFAOYSA-N 0 0 421.194 4.467 20 5 HIBDRN 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/nfs/dbraw/zinc/14/63/48/896146348.db2.gz SSOFYRXVQZQXDO-UHFFFAOYSA-N 0 0 419.572 4.193 20 5 HIBDRN Cc1nc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c2ccc(Cl)cc2)no1 ZINC000480780344 896146566 /nfs/dbraw/zinc/14/65/66/896146566.db2.gz NQESUPQVSUGALT-MRXNPFEDSA-N 0 0 401.810 4.159 20 5 HIBDRN CCOC(=O)c1cc(C)sc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480834653 896208550 /nfs/dbraw/zinc/20/85/50/896208550.db2.gz SBTKYYRDKYRKKD-UHFFFAOYSA-N 0 0 403.460 4.338 20 5 HIBDRN COc1c(C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000512381165 921119365 /nfs/dbraw/zinc/11/93/65/921119365.db2.gz NPMKVMJXLIDCMS-SFHVURJKSA-N 0 0 412.339 4.333 20 5 HIBDRN O=C(c1ccc(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000481033755 896361266 /nfs/dbraw/zinc/36/12/66/896361266.db2.gz HUXPWUIXYHJBBY-SAABIXHNSA-N 0 0 415.877 4.079 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCO[C@@H](C(C)(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000481074515 896394229 /nfs/dbraw/zinc/39/42/29/896394229.db2.gz CFAKYWCTDLFONK-OXFYSEKESA-N 0 0 403.523 4.155 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(CO)Cc1ccccc1 ZINC000481124036 896448806 /nfs/dbraw/zinc/44/88/06/896448806.db2.gz KSUSWLPWWRWDEY-NRFANRHFSA-N 0 0 402.516 4.068 20 5 HIBDRN COC(=O)c1ccc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C(F)(F)F)cc1 ZINC000481125824 896451455 /nfs/dbraw/zinc/45/14/55/896451455.db2.gz PQMFETZZBCHODR-HNNXBMFYSA-N 0 0 411.336 4.115 20 5 HIBDRN O=C(N[C@H]1CCCc2c(O)cccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000481179673 896517915 /nfs/dbraw/zinc/51/79/15/896517915.db2.gz SGTHINIUPIQBBO-HNNXBMFYSA-N 0 0 410.348 4.049 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@@H](C)C1CCCCC1 ZINC000481191901 896543297 /nfs/dbraw/zinc/54/32/97/896543297.db2.gz PMIZZHVLCAGXNX-ZIAGYGMSSA-N 0 0 417.535 4.209 20 5 HIBDRN CCC(CC)N(CC(C)C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000481198937 896552067 /nfs/dbraw/zinc/55/20/67/896552067.db2.gz DJIRPBIGOMAYLX-UHFFFAOYSA-N 0 0 405.524 4.161 20 5 HIBDRN CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481338367 896702356 /nfs/dbraw/zinc/70/23/56/896702356.db2.gz ITRSKTZNWUBQCO-UHFFFAOYSA-N 0 0 415.450 4.052 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-c2cncnc2)cc1F ZINC000481345320 896713747 /nfs/dbraw/zinc/71/37/47/896713747.db2.gz JCWRFGPUFMWNJP-UHFFFAOYSA-N 0 0 404.304 4.045 20 5 HIBDRN CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481361598 896741175 /nfs/dbraw/zinc/74/11/75/896741175.db2.gz SMKOVGSQUGJFHC-LLVKDONJSA-N 0 0 402.480 4.407 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481377627 896774366 /nfs/dbraw/zinc/77/43/66/896774366.db2.gz KPSHBLCCKKMXIF-KZULUSFZSA-N 0 0 402.838 4.164 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000481388486 896790871 /nfs/dbraw/zinc/79/08/71/896790871.db2.gz XTQQVZXTAFRGIJ-CQSZACIVSA-N 0 0 402.447 4.280 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000481420620 896823134 /nfs/dbraw/zinc/82/31/34/896823134.db2.gz DLHWXRMKXSRECL-QFIPXVFZSA-N 0 0 402.454 4.369 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1SC ZINC000481432468 896833415 /nfs/dbraw/zinc/83/34/15/896833415.db2.gz GEZOAIIFSKRUSM-UHFFFAOYSA-N 0 0 414.483 4.034 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cc([N+](=O)[O-])c1 ZINC000481450612 896847295 /nfs/dbraw/zinc/84/72/95/896847295.db2.gz VKFXRTJVZUIJGK-AWEZNQCLSA-N 0 0 400.431 4.050 20 5 HIBDRN Cc1c(C(=O)NCc2cccc([N+](=O)[O-])c2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC000481481994 896865180 /nfs/dbraw/zinc/86/51/80/896865180.db2.gz PUPYXUXZPIHTPH-UHFFFAOYSA-N 0 0 418.375 4.346 20 5 HIBDRN Cc1ccc(O[C@@H](C)C(=O)NCc2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000481496190 896872199 /nfs/dbraw/zinc/87/21/99/896872199.db2.gz ULUWJPDFDLWACY-ZDUSSCGKSA-N 0 0 407.264 4.058 20 5 HIBDRN Cc1c(CNC(=O)CCCOc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000481498843 896873444 /nfs/dbraw/zinc/87/34/44/896873444.db2.gz 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CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000482124599 897581021 /nfs/dbraw/zinc/58/10/21/897581021.db2.gz IDFGPMXCSMDOTI-BTYIYWSLSA-N 0 0 402.516 4.066 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000505497467 914182324 /nfs/dbraw/zinc/18/23/24/914182324.db2.gz AGMGYPRXGQDPHD-NFBKMPQASA-N 0 0 404.470 4.077 20 5 HIBDRN O=C(NCC1(c2ccccc2Cl)CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000482248119 897729477 /nfs/dbraw/zinc/72/94/77/897729477.db2.gz XKJBJUJHIASAJP-UHFFFAOYSA-N 0 0 413.905 4.313 20 5 HIBDRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000505500517 914186705 /nfs/dbraw/zinc/18/67/05/914186705.db2.gz WNNQFDPMCQKZAE-UHFFFAOYSA-N 0 0 420.429 4.246 20 5 HIBDRN O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000482258179 897740504 /nfs/dbraw/zinc/74/05/04/897740504.db2.gz PSWSGOYYNLWTNZ-GFCCVEGCSA-N 0 0 418.375 4.104 20 5 HIBDRN CCOc1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1Br ZINC000482289206 897785019 /nfs/dbraw/zinc/78/50/19/897785019.db2.gz VFJHVDMKCXMZAG-UHFFFAOYSA-N 0 0 422.279 4.462 20 5 HIBDRN Cc1ccccc1-n1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cn1 ZINC000482372315 897894708 /nfs/dbraw/zinc/89/47/08/897894708.db2.gz XXUBIRDOMBPVMP-UHFFFAOYSA-N 0 0 418.375 4.294 20 5 HIBDRN CCc1ccc([C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CCN2)cc1 ZINC000505515697 914206428 /nfs/dbraw/zinc/20/64/28/914206428.db2.gz MXZLYYPGXQLMJH-LJQANCHMSA-N 0 0 422.510 4.067 20 5 HIBDRN CCC[C@@H](C)C(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000482425951 897979042 /nfs/dbraw/zinc/97/90/42/897979042.db2.gz YVIHRWJSAOEFGZ-OAHLLOKOSA-N 0 0 415.515 4.028 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000482457342 898026923 /nfs/dbraw/zinc/02/69/23/898026923.db2.gz UUPVMGPJIPMNJR-OPAMFIHVSA-N 0 0 416.449 4.296 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)o1 ZINC000482475434 898052459 /nfs/dbraw/zinc/05/24/59/898052459.db2.gz LEQYMMMXIXFHJI-NSHDSACASA-N 0 0 416.821 4.267 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000482479163 898056337 /nfs/dbraw/zinc/05/63/37/898056337.db2.gz MKLYLSWXMSWVMJ-HHHXNRCGSA-N 0 0 424.500 4.203 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@]2(C1)OCc1ccccc12 ZINC000482493423 898072053 /nfs/dbraw/zinc/07/20/53/898072053.db2.gz ZAXIVRAWDJQTFQ-HXUWFJFHSA-N 0 0 418.902 4.388 20 5 HIBDRN C[C@@H](C(=O)OC(C)(C)C)c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000482575198 898170437 /nfs/dbraw/zinc/17/04/37/898170437.db2.gz JOOBBBBHKGNHDX-SNVBAGLBSA-N 0 0 402.432 4.214 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1SC ZINC000482583240 898180741 /nfs/dbraw/zinc/18/07/41/898180741.db2.gz TXKOACQFOXUWJE-UHFFFAOYSA-N 0 0 417.487 4.106 20 5 HIBDRN CCCOC1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCCCC1 ZINC000482599774 898201148 /nfs/dbraw/zinc/20/11/48/898201148.db2.gz UWTJURGENGXJEQ-UHFFFAOYSA-N 0 0 418.412 4.395 20 5 HIBDRN CCCOC1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCCC1 ZINC000482641129 898244668 /nfs/dbraw/zinc/24/46/68/898244668.db2.gz XOVHNTGFCPGPEA-UHFFFAOYSA-N 0 0 406.526 4.400 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc(Cl)c1F ZINC000482646500 898250201 /nfs/dbraw/zinc/25/02/01/898250201.db2.gz GVUWLIFVJPLUBR-UHFFFAOYSA-N 0 0 418.711 4.028 20 5 HIBDRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000482696233 898296331 /nfs/dbraw/zinc/29/63/31/898296331.db2.gz UFBVFXLCNXHLHO-MRXNPFEDSA-N 0 0 405.454 4.411 20 5 HIBDRN CCOc1cc(C(=O)Nc2cnn(C(CC)CC)c2CC)c([N+](=O)[O-])cc1OC ZINC000482698228 898298195 /nfs/dbraw/zinc/29/81/95/898298195.db2.gz REJBOEMSNYXMCB-UHFFFAOYSA-N 0 0 404.467 4.374 20 5 HIBDRN CCc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cnn1-c1ccccc1Cl ZINC000482712673 898313044 /nfs/dbraw/zinc/31/30/44/898313044.db2.gz ZMSYGWKLINRULZ-UHFFFAOYSA-N 0 0 402.813 4.317 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)c(-n2ccc(-c3nc(Cc4cncs4)no3)n2)c(Cl)c1 ZINC000482744257 898349379 /nfs/dbraw/zinc/34/93/79/898349379.db2.gz XHZNCYHJLVJAAG-UHFFFAOYSA-N 0 0 423.241 4.185 20 5 HIBDRN Cc1nc(-c2ccc(C)c(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2)n[nH]1 ZINC000482754879 898360647 /nfs/dbraw/zinc/36/06/47/898360647.db2.gz LIRGIKWIPQMWEA-LLVKDONJSA-N 0 0 415.837 4.056 20 5 HIBDRN CCc1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000482791387 898399113 /nfs/dbraw/zinc/39/91/13/898399113.db2.gz FYRQUWSAIDJVLV-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN CCCCOc1cccc(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 ZINC000482847853 898458300 /nfs/dbraw/zinc/45/83/00/898458300.db2.gz MRELSKZCTMIWBO-UHFFFAOYSA-N 0 0 404.488 4.434 20 5 HIBDRN O=C(Nc1ccccc1OCCn1ccnc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000482850109 898461559 /nfs/dbraw/zinc/46/15/59/898461559.db2.gz SFCPTAILXDZGCQ-UHFFFAOYSA-N 0 0 421.457 4.067 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1SC ZINC000482879889 898494114 /nfs/dbraw/zinc/49/41/14/898494114.db2.gz SQAJQIKYICZIRS-OAHLLOKOSA-N 0 0 418.471 4.135 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000482887506 898502676 /nfs/dbraw/zinc/50/26/76/898502676.db2.gz KOSVGKUFAAKUFN-NWDGAFQWSA-N 0 0 424.375 4.410 20 5 HIBDRN CCN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000505558988 914262858 /nfs/dbraw/zinc/26/28/58/914262858.db2.gz HPIOOBWUIBPZBQ-HNNXBMFYSA-N 0 0 424.906 4.050 20 5 HIBDRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000482943930 898568584 /nfs/dbraw/zinc/56/85/84/898568584.db2.gz GAASPLTYENSQPY-MRXNPFEDSA-N 0 0 417.487 4.329 20 5 HIBDRN CNc1c(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cccc1[N+](=O)[O-] ZINC000505565080 914267866 /nfs/dbraw/zinc/26/78/66/914267866.db2.gz IBHYAWFUDMNSQG-UHFFFAOYSA-N 0 0 417.425 4.441 20 5 HIBDRN CCc1ccc([C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CCN2)cc1 ZINC000505564426 914269065 /nfs/dbraw/zinc/26/90/65/914269065.db2.gz DXRITQASOZLKPO-IBGZPJMESA-N 0 0 422.510 4.067 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cnccc2C)c([N+](=O)[O-])c1 ZINC000482991610 898633752 /nfs/dbraw/zinc/63/37/52/898633752.db2.gz IEAJWXMRTKEISQ-JOCHJYFZSA-N 0 0 404.470 4.418 20 5 HIBDRN CCCc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1cc(F)c(OC)cc1F ZINC000483004829 898655045 /nfs/dbraw/zinc/65/50/45/898655045.db2.gz PWYMFVDXZMOBOG-UHFFFAOYSA-N 0 0 416.384 4.272 20 5 HIBDRN COCCN(C[C@H]1CC=CCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000483013613 898668782 /nfs/dbraw/zinc/66/87/82/898668782.db2.gz MTTIKYUQFPNCFG-HNNXBMFYSA-N 0 0 401.488 4.163 20 5 HIBDRN COCCN(C[C@@H]1CC=CCC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000483032406 898697362 /nfs/dbraw/zinc/69/73/62/898697362.db2.gz WLDGLKRANCKZIA-OAHLLOKOSA-N 0 0 401.488 4.163 20 5 HIBDRN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000483035869 898701018 /nfs/dbraw/zinc/70/10/18/898701018.db2.gz KFEFMRTVRCVETP-UHFFFAOYSA-N 0 0 402.472 4.095 20 5 HIBDRN CC[C@@H]1CCCC[C@H]1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000483059248 898734924 /nfs/dbraw/zinc/73/49/24/898734924.db2.gz SAQYTGJATJODBC-IUODEOHRSA-N 0 0 423.516 4.039 20 5 HIBDRN CC(C)(C)NC(=O)c1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000483075409 898758924 /nfs/dbraw/zinc/75/89/24/898758924.db2.gz VPIZWTLUPCAHHD-UHFFFAOYSA-N 0 0 410.474 4.320 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000483080657 898765431 /nfs/dbraw/zinc/76/54/31/898765431.db2.gz VLJRVIUOBGASSF-UHFFFAOYSA-N 0 0 417.469 4.120 20 5 HIBDRN CC[C@@](C)(CCO)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000483092716 898781110 /nfs/dbraw/zinc/78/11/10/898781110.db2.gz KKNKPZCMWSAEAS-FQEVSTJZSA-N 0 0 422.865 4.330 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3ncccc3Br)n2)cc1[N+](=O)[O-] ZINC000483137666 898817314 /nfs/dbraw/zinc/81/73/14/898817314.db2.gz UZHGVJKSSWPKOJ-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN CCOC(=O)[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 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/nfs/dbraw/zinc/54/63/64/900546364.db2.gz YTJXWPXDRGLFNH-FQEVSTJZSA-N 0 0 410.401 4.049 20 5 HIBDRN O=C(Nc1cccc(NCC(F)(F)F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505788994 914453618 /nfs/dbraw/zinc/45/36/18/914453618.db2.gz DFGZBYKGYJIASQ-UHFFFAOYSA-N 0 0 405.336 4.007 20 5 HIBDRN C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000485279783 900557676 /nfs/dbraw/zinc/55/76/76/900557676.db2.gz BGXXYUZGQOLWRE-JTQLQIEISA-N 0 0 406.265 4.186 20 5 HIBDRN Cc1nccn1-c1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1F ZINC000485312157 900590880 /nfs/dbraw/zinc/59/08/80/900590880.db2.gz BGHGQKFXDSQWSX-UHFFFAOYSA-N 0 0 423.448 4.102 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000485363420 900658545 /nfs/dbraw/zinc/65/85/45/900658545.db2.gz QVXQIPZPZHUHTQ-CQSZACIVSA-N 0 0 420.425 4.369 20 5 HIBDRN CC[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000485373335 900670938 /nfs/dbraw/zinc/67/09/38/900670938.db2.gz AUVTXOYJIPSSGP-IBGZPJMESA-N 0 0 411.458 4.191 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)Cc2c[nH]c3ccccc23)nc1-c1ccc(F)cc1 ZINC000485400822 900699215 /nfs/dbraw/zinc/69/92/15/900699215.db2.gz SEZADFGMQSYFCO-QGZVFWFLSA-N 0 0 406.417 4.293 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485408926 900706238 /nfs/dbraw/zinc/70/62/38/900706238.db2.gz PIUDDRCRQCCOMS-NHCUHLMSSA-N 0 0 413.449 4.328 20 5 HIBDRN CCNc1ccc(C(=O)NCc2ccc(OC)c(OC3CCCC3)c2)cc1[N+](=O)[O-] ZINC000485407672 900706565 /nfs/dbraw/zinc/70/65/65/900706565.db2.gz KANUZBKQNXVZMD-UHFFFAOYSA-N 0 0 413.474 4.287 20 5 HIBDRN Cc1c(NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cccc1[N+](=O)[O-] ZINC000485427766 900724921 /nfs/dbraw/zinc/72/49/21/900724921.db2.gz XJJIEZDXGSWJCT-GFCCVEGCSA-N 0 0 408.241 4.202 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCO[C@@H](C2CC2)C1 ZINC000485464109 900758769 /nfs/dbraw/zinc/75/87/69/900758769.db2.gz GLGMIYUMZCNFJU-HXUWFJFHSA-N 0 0 415.877 4.111 20 5 HIBDRN Cc1cc(Br)ccc1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000485474211 900768529 /nfs/dbraw/zinc/76/85/29/900768529.db2.gz KYYDSSBWNQOYKT-UHFFFAOYSA-N 0 0 403.276 4.399 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(COc3cc(Br)cc(F)c3F)o2)cc1 ZINC000485485374 900777253 /nfs/dbraw/zinc/77/72/53/900777253.db2.gz BSTXYPOLZZJBDE-UHFFFAOYSA-N 0 0 412.146 4.265 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000485509305 900796122 /nfs/dbraw/zinc/79/61/22/900796122.db2.gz ZPWHZLKASSPWJD-YOEHRIQHSA-N 0 0 410.854 4.369 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(N2CCCC2)c1 ZINC000485513685 900799135 /nfs/dbraw/zinc/79/91/35/900799135.db2.gz CPWHJLWVBIREJZ-CYBMUJFWSA-N 0 0 405.401 4.287 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)c1[N+](=O)[O-] ZINC000485515657 900800128 /nfs/dbraw/zinc/80/01/28/900800128.db2.gz LRSSCABUNAFNHC-INIZCTEOSA-N 0 0 400.504 4.436 20 5 HIBDRN CSc1cccc(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000485515732 900800417 /nfs/dbraw/zinc/80/04/17/900800417.db2.gz LVFVYJJSCNYZQR-UHFFFAOYSA-N 0 0 409.870 4.072 20 5 HIBDRN Cc1c2cc(C)ccc2sc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000485518522 900802608 /nfs/dbraw/zinc/80/26/08/900802608.db2.gz PBFXRXCKDUVLMC-UHFFFAOYSA-N 0 0 423.494 4.025 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)cc(F)cc1[N+](=O)[O-] ZINC000485534219 900812571 /nfs/dbraw/zinc/81/25/71/900812571.db2.gz SFAMNHQEQKRJPI-UHFFFAOYSA-N 0 0 417.343 4.426 20 5 HIBDRN CCOC(=O)C(C)(C)N(C)C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000485541362 900817506 /nfs/dbraw/zinc/81/75/06/900817506.db2.gz IHCMLLNREXQYGY-UHFFFAOYSA-N 0 0 416.499 4.468 20 5 HIBDRN O=C(c1cc[nH]c1C1CCC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000485580514 900846607 /nfs/dbraw/zinc/84/66/07/900846607.db2.gz PTAAVEZDAUTKMY-UHFFFAOYSA-N 0 0 422.407 4.172 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c(C)c1 ZINC000485703443 900952139 /nfs/dbraw/zinc/95/21/39/900952139.db2.gz TXKLDSHCBUWCTM-UHFFFAOYSA-N 0 0 413.293 4.446 20 5 HIBDRN COc1ccc(CC(C)(C)NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000485713533 900962964 /nfs/dbraw/zinc/96/29/64/900962964.db2.gz WJJMSGIWERZKFG-UHFFFAOYSA-N 0 0 413.293 4.179 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000485733380 900986989 /nfs/dbraw/zinc/98/69/89/900986989.db2.gz NGGHNZVCGKAODV-QHCPKHFHSA-N 0 0 410.470 4.207 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1[N+](=O)[O-] ZINC000485736894 900990967 /nfs/dbraw/zinc/99/09/67/900990967.db2.gz JLCBTGZAOCLYHP-GOSISDBHSA-N 0 0 402.472 4.215 20 5 HIBDRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485739447 900993956 /nfs/dbraw/zinc/99/39/56/900993956.db2.gz AOPUEZJUTGILKU-AVRDEDQJSA-N 0 0 412.486 4.355 20 5 HIBDRN COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000485745594 901001071 /nfs/dbraw/zinc/00/10/71/901001071.db2.gz BGHNSBOGKCHQRJ-UHFFFAOYSA-N 0 0 414.361 4.374 20 5 HIBDRN O=C(NCCOc1cccc(F)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485758779 901016216 /nfs/dbraw/zinc/01/62/16/901016216.db2.gz XCXRTKRLEDBRFR-UHFFFAOYSA-N 0 0 410.401 4.122 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccccc2I)c1[N+](=O)[O-] ZINC000485761464 901018942 /nfs/dbraw/zinc/01/89/42/901018942.db2.gz XGBTZQWKAFQJCT-UHFFFAOYSA-N 0 0 414.224 4.174 20 5 HIBDRN CSc1cccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c1[N+](=O)[O-] ZINC000485765350 901021738 /nfs/dbraw/zinc/02/17/38/901021738.db2.gz WENVMZAAFXADJP-UHFFFAOYSA-N 0 0 412.471 4.016 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1N1CCCC1 ZINC000485816542 901064310 /nfs/dbraw/zinc/06/43/10/901064310.db2.gz OMJZKZHGNADCSR-HNNXBMFYSA-N 0 0 416.909 4.307 20 5 HIBDRN COc1cc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000485856754 901098665 /nfs/dbraw/zinc/09/86/65/901098665.db2.gz SKYWMEARDWQSQX-UHFFFAOYSA-N 0 0 400.822 4.312 20 5 HIBDRN O=C(CN1CCC(c2c(F)cccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000485863744 901105079 /nfs/dbraw/zinc/10/50/79/901105079.db2.gz ZDADKWDAPJGUTB-UHFFFAOYSA-N 0 0 409.820 4.345 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1C ZINC000485873963 901111082 /nfs/dbraw/zinc/11/10/82/901111082.db2.gz IFQNLMRLXBWWAG-UHFFFAOYSA-N 0 0 413.865 4.491 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C ZINC000485879111 901114794 /nfs/dbraw/zinc/11/47/94/901114794.db2.gz XNQSYAMDDARHPN-UHFFFAOYSA-N 0 0 400.822 4.068 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)Cc2ccccc2Cl)cc1OC ZINC000485892022 901124291 /nfs/dbraw/zinc/12/42/91/901124291.db2.gz MRPXTZHLZAHYKT-UHFFFAOYSA-N 0 0 406.866 4.407 20 5 HIBDRN CCOc1cc(C(=O)NC(C)(C)Cc2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000485897587 901129188 /nfs/dbraw/zinc/12/91/88/901129188.db2.gz QCVWRWNZPBJSJN-UHFFFAOYSA-N 0 0 406.866 4.407 20 5 HIBDRN COc1cc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)ccc1[N+](=O)[O-] ZINC000485913118 901138899 /nfs/dbraw/zinc/13/88/99/901138899.db2.gz KYIDUJJWFFMXKP-UHFFFAOYSA-N 0 0 412.833 4.184 20 5 HIBDRN CCOc1ncc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1Cl ZINC000485922223 901146793 /nfs/dbraw/zinc/14/67/93/901146793.db2.gz JJSGIUQKSFFCRU-UHFFFAOYSA-N 0 0 404.835 4.418 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(Oc3cccnc3)cc2)c(C)c([N+](=O)[O-])c1 ZINC000485941931 901162411 /nfs/dbraw/zinc/16/24/11/901162411.db2.gz QZUBECGKOYOLBK-UHFFFAOYSA-N 0 0 407.382 4.129 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(C)cc(Br)c2)c(C)c([N+](=O)[O-])c1 ZINC000485958082 901175908 /nfs/dbraw/zinc/17/59/08/901175908.db2.gz PYNGNNYHNWUKLF-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000485993140 901211485 /nfs/dbraw/zinc/21/14/85/901211485.db2.gz XXZPAAURGYZTTP-GJZGRUSLSA-N 0 0 415.515 4.178 20 5 HIBDRN Cc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2cccc(OC(F)(F)F)c2n1 ZINC000486012582 901222982 /nfs/dbraw/zinc/22/29/82/901222982.db2.gz BKHZWCHGPDMNMS-UHFFFAOYSA-N 0 0 421.379 4.388 20 5 HIBDRN COC[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000486026850 901233118 /nfs/dbraw/zinc/23/31/18/901233118.db2.gz IHDMLJAEDMPFTI-KRWDZBQOSA-N 0 0 414.849 4.012 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000486028378 901234477 /nfs/dbraw/zinc/23/44/77/901234477.db2.gz MFWNQWKIDNPRPL-ZDUSSCGKSA-N 0 0 421.425 4.043 20 5 HIBDRN Cc1ccnc2ccc(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])cc12 ZINC000505869333 914517769 /nfs/dbraw/zinc/51/77/69/914517769.db2.gz XJMVOQDCBWZMLG-HXUWFJFHSA-N 0 0 421.453 4.264 20 5 HIBDRN O=C(c1cccc(OCc2cccnc2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486040249 901242390 /nfs/dbraw/zinc/24/23/90/901242390.db2.gz DDXQFPLHKZSFJY-UHFFFAOYSA-N 0 0 403.438 4.374 20 5 HIBDRN COc1cc(CCNC(=O)C[C@@H]2C[C@H](C)c3c2cccc3C)c([N+](=O)[O-])cc1OC ZINC000486042782 901243588 /nfs/dbraw/zinc/24/35/88/901243588.db2.gz VCRQQMXYQFEJJG-RDJZCZTQSA-N 0 0 412.486 4.260 20 5 HIBDRN O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000486047447 901247309 /nfs/dbraw/zinc/24/73/09/901247309.db2.gz VPGJGCKYEIVGJC-GOSISDBHSA-N 0 0 422.485 4.030 20 5 HIBDRN Cc1cc([C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000486069077 901261860 /nfs/dbraw/zinc/26/18/60/901261860.db2.gz APQIYQQVPCTEBQ-QGZVFWFLSA-N 0 0 423.238 4.019 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1Br ZINC000486069458 901262297 /nfs/dbraw/zinc/26/22/97/901262297.db2.gz BIYQHUMOPLDAFJ-UHFFFAOYSA-N 0 0 407.268 4.009 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000486103229 901290780 /nfs/dbraw/zinc/29/07/80/901290780.db2.gz QCTVFPATLQZLTM-OAQYLSRUSA-N 0 0 411.483 4.373 20 5 HIBDRN CC(C)(C)C(=O)NCc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000486104235 901291476 /nfs/dbraw/zinc/29/14/76/901291476.db2.gz JJLWSGXBFRUTTL-UHFFFAOYSA-N 0 0 409.486 4.062 20 5 HIBDRN CCn1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000486130049 901318079 /nfs/dbraw/zinc/31/80/79/901318079.db2.gz PURUWFKQVRFZJG-UHFFFAOYSA-N 0 0 413.228 4.180 20 5 HIBDRN CC(C)C[C@H]1C[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCO1 ZINC000486146192 901333014 /nfs/dbraw/zinc/33/30/14/901333014.db2.gz RIUHBQUGQDHEMB-QUCCMNQESA-N 0 0 412.486 4.497 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000486173574 901359733 /nfs/dbraw/zinc/35/97/33/901359733.db2.gz IXANQDWJXPXSMZ-FQEVSTJZSA-N 0 0 417.465 4.091 20 5 HIBDRN COCCCOc1cccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000486179098 901365276 /nfs/dbraw/zinc/36/52/76/901365276.db2.gz SLYZZTUTLZCXOE-UHFFFAOYSA-N 0 0 415.265 4.086 20 5 HIBDRN COC(=O)c1cc(NCc2nnc(-c3ccc(Cl)cc3)o2)c(C)c([N+](=O)[O-])c1 ZINC000486206346 901389968 /nfs/dbraw/zinc/38/99/68/901389968.db2.gz VWIOIIVCPOWGLA-UHFFFAOYSA-N 0 0 402.794 4.005 20 5 HIBDRN CSc1cccc(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1[N+](=O)[O-] ZINC000486219467 901402193 /nfs/dbraw/zinc/40/21/93/901402193.db2.gz FTFVQBHBBMAVIH-UHFFFAOYSA-N 0 0 404.448 4.150 20 5 HIBDRN CSc1cccc(C(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)c1[N+](=O)[O-] ZINC000486232192 901414921 /nfs/dbraw/zinc/41/49/21/901414921.db2.gz NSLUSVSCUUYTHD-ZDUSSCGKSA-N 0 0 421.469 4.114 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](C)c2nc(-c3ccncc3)cs2)c1[N+](=O)[O-] ZINC000486232323 901415008 /nfs/dbraw/zinc/41/50/08/901415008.db2.gz OJXVGQCXTBPDFA-LLVKDONJSA-N 0 0 400.485 4.326 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c(C)c1 ZINC000486238783 901420455 /nfs/dbraw/zinc/42/04/55/901420455.db2.gz DAJHNPANRSFNET-ZDUSSCGKSA-N 0 0 401.488 4.406 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000486244884 901427060 /nfs/dbraw/zinc/42/70/60/901427060.db2.gz OQIQELMZSYXTFQ-UHFFFAOYSA-N 0 0 422.528 4.282 20 5 HIBDRN CCCN(C(=O)c1cccc(SC)c1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000486248987 901432672 /nfs/dbraw/zinc/43/26/72/901432672.db2.gz GQYOCZVEKPKMTQ-CQSZACIVSA-N 0 0 401.488 4.196 20 5 HIBDRN COC(=O)c1c(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Br ZINC000486263358 901446996 /nfs/dbraw/zinc/44/69/96/901446996.db2.gz VOJNUMIPKPEDFA-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 ZINC000486306224 901485691 /nfs/dbraw/zinc/48/56/91/901485691.db2.gz ZUQQSMZIPMPGIQ-UHFFFAOYSA-N 0 0 413.437 4.462 20 5 HIBDRN CC(=O)Nc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 ZINC000486324370 901500676 /nfs/dbraw/zinc/50/06/76/901500676.db2.gz XLUUSNRTASNBCB-UHFFFAOYSA-N 0 0 419.437 4.062 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(Br)c(C)cc1C ZINC000486330589 901507826 /nfs/dbraw/zinc/50/78/26/901507826.db2.gz UZTBMHDZYCTJPA-UHFFFAOYSA-N 0 0 408.252 4.304 20 5 HIBDRN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486367159 901533892 /nfs/dbraw/zinc/53/38/92/901533892.db2.gz PYXJANBOGYFUOI-UHFFFAOYSA-N 0 0 417.421 4.311 20 5 HIBDRN C[C@](O)(C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1CCC1 ZINC000486394540 901557277 /nfs/dbraw/zinc/55/72/77/901557277.db2.gz MUQKKJRCPINOSH-HXUWFJFHSA-N 0 0 422.840 4.347 20 5 HIBDRN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000486396574 901559208 /nfs/dbraw/zinc/55/92/08/901559208.db2.gz ALVWPGPQWZUIKW-LJQANCHMSA-N 0 0 404.438 4.113 20 5 HIBDRN CCc1c(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000486398988 901561813 /nfs/dbraw/zinc/56/18/13/901561813.db2.gz CEFLVHPNARCUIL-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC2(CCCC2)c2cccc(Cl)c21 ZINC000486399520 901562475 /nfs/dbraw/zinc/56/24/75/901562475.db2.gz JJBFOHOWFSGFRF-UHFFFAOYSA-N 0 0 423.860 4.301 20 5 HIBDRN CC(C)(C)[C@@H]1C[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCO1 ZINC000486423900 901582744 /nfs/dbraw/zinc/58/27/44/901582744.db2.gz KYYDWSFXKISTLX-UTKZUKDTSA-N 0 0 412.486 4.497 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)c1[N+](=O)[O-] ZINC000486431782 901591404 /nfs/dbraw/zinc/59/14/04/901591404.db2.gz JLYNTZSLYCGXCR-UHFFFAOYSA-N 0 0 419.356 4.243 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000486431990 901591506 /nfs/dbraw/zinc/59/15/06/901591506.db2.gz DPXGKAIKOZEZMX-IFXJQAMLSA-N 0 0 405.857 4.119 20 5 HIBDRN COc1ccc([C@@H](NC(=O)CNc2cc([N+](=O)[O-])ccc2OC(F)F)C(C)C)cc1 ZINC000486432318 901591601 /nfs/dbraw/zinc/59/16/01/901591601.db2.gz SOUILBQDPPPYOK-IBGZPJMESA-N 0 0 423.416 4.130 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000486431995 901591659 /nfs/dbraw/zinc/59/16/59/901591659.db2.gz DPXGKAIKOZEZMX-LIRRHRJNSA-N 0 0 405.857 4.119 20 5 HIBDRN CSc1cccc(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000486491778 901644000 /nfs/dbraw/zinc/64/40/00/901644000.db2.gz ZLMVQDNUFHCQQI-UHFFFAOYSA-N 0 0 410.499 4.412 20 5 HIBDRN CSc1cccc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000486561357 901706760 /nfs/dbraw/zinc/70/67/60/901706760.db2.gz VUBYNTIDIVNBDF-RDJZCZTQSA-N 0 0 404.463 4.448 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000486599095 901736614 /nfs/dbraw/zinc/73/66/14/901736614.db2.gz ZOZFWZUIJZDKRU-KRWDZBQOSA-N 0 0 424.375 4.226 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1ccc(C)cc1Cl ZINC000486677966 901791158 /nfs/dbraw/zinc/79/11/58/901791158.db2.gz WGPZFQXFAZGJBT-UHFFFAOYSA-N 0 0 407.879 4.037 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000486694372 901798715 /nfs/dbraw/zinc/79/87/15/901798715.db2.gz NEDJLGHGADEDCA-CABCVRRESA-N 0 0 400.303 4.279 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000486701975 901802906 /nfs/dbraw/zinc/80/29/06/901802906.db2.gz BBEUSQBWXDGCGS-LSDHHAIUSA-N 0 0 400.303 4.312 20 5 HIBDRN Cc1cn(-c2ccccc2)nc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486701678 901802943 /nfs/dbraw/zinc/80/29/43/901802943.db2.gz LWIQZNLRCMSOAS-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN Cn1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(-c2cccs2)n1 ZINC000486711831 901807509 /nfs/dbraw/zinc/80/75/09/901807509.db2.gz NGJLMHUWWIIQHH-UHFFFAOYSA-N 0 0 410.377 4.006 20 5 HIBDRN C[C@@H](Oc1ccccc1Cl)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486739084 901822873 /nfs/dbraw/zinc/82/28/73/901822873.db2.gz SDWWEKKSBQBTPH-SNVBAGLBSA-N 0 0 402.756 4.351 20 5 HIBDRN COc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1OC(F)F ZINC000486740690 901824413 /nfs/dbraw/zinc/82/44/13/901824413.db2.gz VUVISNVSLNJGKV-UHFFFAOYSA-N 0 0 420.290 4.154 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000486774061 901844874 /nfs/dbraw/zinc/84/48/74/901844874.db2.gz TZEIGPULTRHYHM-CYBMUJFWSA-N 0 0 400.435 4.098 20 5 HIBDRN CCN(CC)C(=O)CCCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000486818649 901872852 /nfs/dbraw/zinc/87/28/52/901872852.db2.gz KOXJTJSJNVHQKL-UHFFFAOYSA-N 0 0 415.515 4.124 20 5 HIBDRN Cc1cccc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1[N+](=O)[O-] ZINC000486830666 901883149 /nfs/dbraw/zinc/88/31/49/901883149.db2.gz YZHAVFMNYQOMPY-OAHLLOKOSA-N 0 0 404.426 4.042 20 5 HIBDRN O=C(Nc1cccc(Cl)c1Br)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000486836254 901886876 /nfs/dbraw/zinc/88/68/76/901886876.db2.gz XHVUKOVMXQXPDA-UHFFFAOYSA-N 0 0 413.611 4.034 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000486843607 901891571 /nfs/dbraw/zinc/89/15/71/901891571.db2.gz IUPAWNZOFGDAAI-ZLQZBKBYSA-N 0 0 414.433 4.336 20 5 HIBDRN O=C(Nc1nnc(/C=C/c2ccco2)s1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486850527 901897048 /nfs/dbraw/zinc/89/70/48/901897048.db2.gz FXRQOADMEHMCGU-MDZDMXLPSA-N 0 0 411.443 4.406 20 5 HIBDRN CCCN(CCc1cccc(F)c1)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486853439 901899702 /nfs/dbraw/zinc/89/97/02/901899702.db2.gz ASXOFCPSTGVQFX-UHFFFAOYSA-N 0 0 417.437 4.316 20 5 HIBDRN NC(=O)Nc1ccc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000486855333 901901109 /nfs/dbraw/zinc/90/11/09/901901109.db2.gz LOPMCNRWOUHEHF-UHFFFAOYSA-N 0 0 422.466 4.167 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H]2CCc3c2cccc3Cl)c(C)c([N+](=O)[O-])c1 ZINC000486857421 901902459 /nfs/dbraw/zinc/90/24/59/901902459.db2.gz LPKDZEPGDIALNA-HNNXBMFYSA-N 0 0 403.822 4.152 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486868048 901914301 /nfs/dbraw/zinc/91/43/01/901914301.db2.gz LOEOQIOHKWIMOW-LRDDRELGSA-N 0 0 415.421 4.239 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c(C)c([N+](=O)[O-])c1 ZINC000486893435 901935917 /nfs/dbraw/zinc/93/59/17/901935917.db2.gz KCQYLWYSSOSSSP-KRWDZBQOSA-N 0 0 401.394 4.198 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000486895289 901937240 /nfs/dbraw/zinc/93/72/40/901937240.db2.gz FAVYROHTUBATBM-UHFFFAOYSA-N 0 0 424.375 4.058 20 5 HIBDRN CCO[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000486893909 901937667 /nfs/dbraw/zinc/93/76/67/901937667.db2.gz MGRQULVILYRXJG-HSZRJFAPSA-N 0 0 400.478 4.049 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)c(C)c([N+](=O)[O-])c1 ZINC000486896439 901941234 /nfs/dbraw/zinc/94/12/34/901941234.db2.gz KOKRYIKQFKXQHB-GOSISDBHSA-N 0 0 412.446 4.234 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1[N+](=O)[O-] ZINC000486902937 901948467 /nfs/dbraw/zinc/94/84/67/901948467.db2.gz WUXTZKLYXRYXIW-UHFFFAOYSA-N 0 0 409.446 4.234 20 5 HIBDRN CC(C)c1c(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1 ZINC000486902818 901948803 /nfs/dbraw/zinc/94/88/03/901948803.db2.gz WEMRKHMVBCJRKU-UHFFFAOYSA-N 0 0 408.462 4.138 20 5 HIBDRN CCO[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000486908656 901955339 /nfs/dbraw/zinc/95/53/39/901955339.db2.gz YSXGUIZRBXCPFX-KRWDZBQOSA-N 0 0 412.364 4.044 20 5 HIBDRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C(C)(C)c4ccccc4[N+](=O)[O-])C3)nc2c1 ZINC000486925430 901968514 /nfs/dbraw/zinc/96/85/14/901968514.db2.gz KULFQURBWRMGLD-INIZCTEOSA-N 0 0 406.486 4.463 20 5 HIBDRN CCC[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000486950459 901986230 /nfs/dbraw/zinc/98/62/30/901986230.db2.gz TZMARBDLXOUDCC-INIZCTEOSA-N 0 0 410.257 4.498 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486951189 901986421 /nfs/dbraw/zinc/98/64/21/901986421.db2.gz PKXNMNHMYIBDSL-UHFFFAOYSA-N 0 0 401.810 4.047 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487016784 902016640 /nfs/dbraw/zinc/01/66/40/902016640.db2.gz ZXFDKSBHRKCFAK-LSDHHAIUSA-N 0 0 409.273 4.065 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(COC(C)(C)C)on1 ZINC000487045886 902037752 /nfs/dbraw/zinc/03/77/52/902037752.db2.gz PQOSMBRDPDSORD-UHFFFAOYSA-N 0 0 404.467 4.018 20 5 HIBDRN O=C(Cc1csc2ccc(Cl)cc12)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487052699 902039380 /nfs/dbraw/zinc/03/93/80/902039380.db2.gz YDUABXYPTUOLRX-UHFFFAOYSA-N 0 0 404.879 4.066 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000487093608 902054768 /nfs/dbraw/zinc/05/47/68/902054768.db2.gz MYCTVHIRUHCBOQ-UHFFFAOYSA-N 0 0 414.531 4.412 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)N1CCCCC1 ZINC000487098064 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401.488 4.094 20 5 HIBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000487349442 902156351 /nfs/dbraw/zinc/15/63/51/902156351.db2.gz FQQYMWHWTRGUKB-UHFFFAOYSA-N 0 0 408.483 4.489 20 5 HIBDRN O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487433923 902208476 /nfs/dbraw/zinc/20/84/76/902208476.db2.gz AMPSFMKXYGLCDL-UHFFFAOYSA-N 0 0 405.435 4.242 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000487446804 902213412 /nfs/dbraw/zinc/21/34/12/902213412.db2.gz NLOPZPOFKXWVCD-UHFFFAOYSA-N 0 0 401.488 4.406 20 5 HIBDRN CC(C)CCn1ncc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1C(C)C ZINC000487629170 902261053 /nfs/dbraw/zinc/26/10/53/902261053.db2.gz FDINCNMXKCFZOF-UHFFFAOYSA-N 0 0 415.494 4.256 20 5 HIBDRN CCN(C(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1Cl)C(C)C ZINC000487662364 902281796 /nfs/dbraw/zinc/28/17/96/902281796.db2.gz WVOYODLRMLXPRQ-UHFFFAOYSA-N 0 0 419.865 4.380 20 5 HIBDRN 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0 0 411.380 4.270 20 5 HIBDRN CS(=O)(=O)CCCNc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 ZINC000488053531 902567976 /nfs/dbraw/zinc/56/79/76/902567976.db2.gz XZUOKKZLLYWHRQ-UHFFFAOYSA-N 0 0 417.409 4.204 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000488053230 902568004 /nfs/dbraw/zinc/56/80/04/902568004.db2.gz TZIVNNOVCWBACM-HNNXBMFYSA-N 0 0 402.878 4.482 20 5 HIBDRN Cc1cc(-c2noc(CCC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)ccc1F ZINC000488058259 902572964 /nfs/dbraw/zinc/57/29/64/902572964.db2.gz PNSKDJCOKOXWHW-CQSZACIVSA-N 0 0 412.421 4.211 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000488060893 902575265 /nfs/dbraw/zinc/57/52/65/902575265.db2.gz JMYQUYQRQXXYRT-CQSZACIVSA-N 0 0 424.482 4.032 20 5 HIBDRN O=C(c1cccc(Cl)c1)N1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488066082 902578375 /nfs/dbraw/zinc/57/83/75/902578375.db2.gz DNQOAGZSTLGYQG-UHFFFAOYSA-N 0 0 410.861 4.149 20 5 HIBDRN 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C[C@H](Nc1cnn([C@@H](C)C2CC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000488205336 902687294 /nfs/dbraw/zinc/68/72/94/902687294.db2.gz SLZAALVNMRTVBO-QWRGUYRKSA-N 0 0 411.384 4.220 20 5 HIBDRN Cc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)C1CC1 ZINC000488218058 902698335 /nfs/dbraw/zinc/69/83/35/902698335.db2.gz LZXATFAGJOYZET-NRFANRHFSA-N 0 0 415.515 4.251 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Oc2ccc(Br)c(F)c2)c([N+](=O)[O-])c1 ZINC000488243342 902718506 /nfs/dbraw/zinc/71/85/06/902718506.db2.gz WQXCHSXZZJXOMR-UHFFFAOYSA-N 0 0 420.194 4.253 20 5 HIBDRN COc1c(F)cc(S(=O)(=O)N(Cc2ccsc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000488292018 902754292 /nfs/dbraw/zinc/75/42/92/902754292.db2.gz DSUOHXUZELOFFN-UHFFFAOYSA-N 0 0 422.459 4.200 20 5 HIBDRN COC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 ZINC000488338893 902773690 /nfs/dbraw/zinc/77/36/90/902773690.db2.gz WSUOWNRIBKUJBT-CQSZACIVSA-N 0 0 415.780 4.359 20 5 HIBDRN Cc1cc(Br)ccc1N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000488357866 902780641 /nfs/dbraw/zinc/78/06/41/902780641.db2.gz GIFIBFZGEVQCMV-UHFFFAOYSA-N 0 0 415.247 4.128 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 ZINC000488374756 902788240 /nfs/dbraw/zinc/78/82/40/902788240.db2.gz HLLWUBLBKKXYFE-UHFFFAOYSA-N 0 0 422.528 4.023 20 5 HIBDRN CCOc1c(Cl)cc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000488375198 902788375 /nfs/dbraw/zinc/78/83/75/902788375.db2.gz AWXTXOXWCBTSQE-UHFFFAOYSA-N 0 0 421.881 4.390 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488395671 902805052 /nfs/dbraw/zinc/80/50/52/902805052.db2.gz WOGBVDOKQXSAQW-UHFFFAOYSA-N 0 0 421.501 4.256 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000488395226 902805161 /nfs/dbraw/zinc/80/51/61/902805161.db2.gz IWCFAMQDCGETED-AWEZNQCLSA-N 0 0 401.463 4.298 20 5 HIBDRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000488404978 902812063 /nfs/dbraw/zinc/81/20/63/902812063.db2.gz RDOWESFIMWQSCM-UHFFFAOYSA-N 0 0 415.471 4.042 20 5 HIBDRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000488483126 902848905 /nfs/dbraw/zinc/84/89/05/902848905.db2.gz QEEXGHKJVWMEAM-UHFFFAOYSA-N 0 0 424.310 4.113 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000488608578 902898696 /nfs/dbraw/zinc/89/86/96/902898696.db2.gz FXPOXHBTLRUTJR-UHFFFAOYSA-N 0 0 407.879 4.314 20 5 HIBDRN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)Oc1ccccc1C ZINC000488626841 902906476 /nfs/dbraw/zinc/90/64/76/902906476.db2.gz VOQONJJGMFADCW-CQSZACIVSA-N 0 0 407.264 4.253 20 5 HIBDRN COc1ccc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1Br ZINC000488661520 902926801 /nfs/dbraw/zinc/92/68/01/902926801.db2.gz ADQGCYADUFWAEB-UHFFFAOYSA-N 0 0 422.279 4.100 20 5 HIBDRN CN([C@H](c1ccccc1)C(F)(F)F)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000488758263 902981956 /nfs/dbraw/zinc/98/19/56/902981956.db2.gz IEOXBTAMFAGVTI-CQSZACIVSA-N 0 0 408.785 4.172 20 5 HIBDRN COc1ccc(Cn2ccnc2SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000488804022 903010422 /nfs/dbraw/zinc/01/04/22/903010422.db2.gz ZUNFGSFKINNHQS-UHFFFAOYSA-N 0 0 423.454 4.191 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2nnc(Cc3ccccc3F)o2)cccc1[N+](=O)[O-] ZINC000488832624 903031533 /nfs/dbraw/zinc/03/15/33/903031533.db2.gz CZIVHOAAEQRXTF-LBPRGKRZSA-N 0 0 416.434 4.135 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000489030403 903137402 /nfs/dbraw/zinc/13/74/02/903137402.db2.gz HKGHOZGSTSLRGP-OAHLLOKOSA-N 0 0 410.499 4.443 20 5 HIBDRN O=C1CN(Cc2ccccc2)[C@@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000489051796 903156335 /nfs/dbraw/zinc/15/63/35/903156335.db2.gz IHGGPTVJYPALNH-QFIPXVFZSA-N 0 0 407.401 4.157 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000489061442 903166137 /nfs/dbraw/zinc/16/61/37/903166137.db2.gz IMOWXXQPFAYWIU-CQSZACIVSA-N 0 0 403.479 4.245 20 5 HIBDRN C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000489088516 903189878 /nfs/dbraw/zinc/18/98/78/903189878.db2.gz NHIRNHSREFUWBT-MRXNPFEDSA-N 0 0 413.437 4.334 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000489146578 903230821 /nfs/dbraw/zinc/23/08/21/903230821.db2.gz FANYHSMCKUNQJU-AWEZNQCLSA-N 0 0 411.437 4.097 20 5 HIBDRN CC1(c2ccccc2)CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000489189208 903250941 /nfs/dbraw/zinc/25/09/41/903250941.db2.gz JJVVDTWFIQDTNX-UHFFFAOYSA-N 0 0 405.454 4.479 20 5 HIBDRN Cc1cc(C)n(-c2ccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2F)n1 ZINC000489194882 903254833 /nfs/dbraw/zinc/25/48/33/903254833.db2.gz JGHPTAIRHFIBCO-UHFFFAOYSA-N 0 0 411.437 4.367 20 5 HIBDRN C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000489268459 903296226 /nfs/dbraw/zinc/29/62/26/903296226.db2.gz VEGXQFQYTZTDDU-CYBMUJFWSA-N 0 0 401.467 4.321 20 5 HIBDRN Cc1cc(Sc2nnc(-c3cccs3)n2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489278531 903302468 /nfs/dbraw/zinc/30/24/68/903302468.db2.gz RMRCINXYSRDJKI-UHFFFAOYSA-N 0 0 410.484 4.368 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000489278894 903303973 /nfs/dbraw/zinc/30/39/73/903303973.db2.gz NYZYRKCIDAGBDL-ZBFHGGJFSA-N 0 0 412.490 4.448 20 5 HIBDRN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000489281642 903305919 /nfs/dbraw/zinc/30/59/19/903305919.db2.gz SONBKBHBMHSOHB-FYSMJZIKSA-N 0 0 416.452 4.328 20 5 HIBDRN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489389075 903361373 /nfs/dbraw/zinc/36/13/73/903361373.db2.gz REVSGYRYDLZGDV-NSHDSACASA-N 0 0 404.373 4.057 20 5 HIBDRN CCn1c(S[C@@H](C)C(=O)N(C)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489393009 903362646 /nfs/dbraw/zinc/36/26/46/903362646.db2.gz SQFUFEOCLPASRI-AWEZNQCLSA-N 0 0 411.487 4.017 20 5 HIBDRN CCn1c(SCC(=O)N(C)[C@H]2CCCC[C@@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489397018 903365777 /nfs/dbraw/zinc/36/57/77/903365777.db2.gz 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CCOc1cc2c(cc1OCC)CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000492335104 904835380 /nfs/dbraw/zinc/83/53/80/904835380.db2.gz BVYMMBGBLBBVIM-UHFFFAOYSA-N 0 0 410.426 4.337 20 5 HIBDRN COc1cc([C@@H](NCc2csc([N+](=O)[O-])c2)C(F)(F)F)cc(OC)c1OC ZINC000492485527 904857348 /nfs/dbraw/zinc/85/73/48/904857348.db2.gz DZNUDHPJUCETET-OAHLLOKOSA-N 0 0 406.382 4.075 20 5 HIBDRN COC(=O)c1cc(C)c(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(Cl)c1 ZINC000506220260 914850566 /nfs/dbraw/zinc/85/05/66/914850566.db2.gz VMBIBKSXUNFWEC-UHFFFAOYSA-N 0 0 402.794 4.005 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC)cc1[N+](=O)[O-] ZINC000506225283 914851215 /nfs/dbraw/zinc/85/12/15/914851215.db2.gz WBWVUPCCMKNZJC-GOSISDBHSA-N 0 0 408.458 4.340 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000492884250 904936259 /nfs/dbraw/zinc/93/62/59/904936259.db2.gz ASAIPFATLNRFCS-UHFFFAOYSA-N 0 0 422.224 4.359 20 5 HIBDRN O=C(NCCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cc1Br ZINC000506238151 914858202 /nfs/dbraw/zinc/85/82/02/914858202.db2.gz MOPRGAWUNLUQHE-UHFFFAOYSA-N 0 0 420.238 4.340 20 5 HIBDRN COc1ccc(Br)c(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000492960974 904967955 /nfs/dbraw/zinc/96/79/55/904967955.db2.gz NLCOIMKHQXRJHP-UHFFFAOYSA-N 0 0 419.275 4.100 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000492963668 904968121 /nfs/dbraw/zinc/96/81/21/904968121.db2.gz SWHZHTXVYHMSNF-QGZVFWFLSA-N 0 0 424.501 4.341 20 5 HIBDRN CC[C@H](NC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000493032618 904994097 /nfs/dbraw/zinc/99/40/97/904994097.db2.gz KZAROCGTAACKAO-XLIONFOSSA-N 0 0 413.449 4.490 20 5 HIBDRN Cc1cc(C)n(Cc2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)n1 ZINC000493076998 905010524 /nfs/dbraw/zinc/01/05/24/905010524.db2.gz HWOKDFOFMFYKEN-UHFFFAOYSA-N 0 0 404.470 4.261 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000493133533 905027456 /nfs/dbraw/zinc/02/74/56/905027456.db2.gz PPQBDXFIMIWXAA-UZLBHIALSA-N 0 0 415.465 4.494 20 5 HIBDRN O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493162597 905038102 /nfs/dbraw/zinc/03/81/02/905038102.db2.gz WNYGZOGPPASIJK-UHFFFAOYSA-N 0 0 404.426 4.327 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1[N+](=O)[O-] ZINC000493211473 905054188 /nfs/dbraw/zinc/05/41/88/905054188.db2.gz QBDXKUWFHBAGJQ-AWEZNQCLSA-N 0 0 419.428 4.495 20 5 HIBDRN CS(=O)(=O)c1cccc([C@@H](NCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)c1 ZINC000493226066 905055990 /nfs/dbraw/zinc/05/59/90/905055990.db2.gz HIILALPWXOWUED-NRFANRHFSA-N 0 0 414.458 4.017 20 5 HIBDRN CS(=O)(=O)Cc1ccccc1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493233459 905058934 /nfs/dbraw/zinc/05/89/34/905058934.db2.gz UVUSYGVAFJKURZ-JOCHJYFZSA-N 0 0 410.495 4.019 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000493232832 905059410 /nfs/dbraw/zinc/05/94/10/905059410.db2.gz CVNDSVJNOLARSE-MRXNPFEDSA-N 0 0 401.463 4.339 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000506258844 914868713 /nfs/dbraw/zinc/86/87/13/914868713.db2.gz KZNTVSVDDRASRA-UHFFFAOYSA-N 0 0 422.416 4.350 20 5 HIBDRN CO[C@H](C)c1nc(CN2CCCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cs1 ZINC000493310552 905083142 /nfs/dbraw/zinc/08/31/42/905083142.db2.gz LXVIZUXIIVTHOI-CQSZACIVSA-N 0 0 424.954 4.120 20 5 HIBDRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000493345670 905092461 /nfs/dbraw/zinc/09/24/61/905092461.db2.gz ZLHOKHUQJUFXNZ-UHFFFAOYSA-N 0 0 418.409 4.423 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(F)cc2OC(C)C)cc1[N+](=O)[O-] ZINC000493371392 905096888 /nfs/dbraw/zinc/09/68/88/905096888.db2.gz VMEOIMAGJGDNKX-UHFFFAOYSA-N 0 0 408.451 4.402 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000493411071 905111196 /nfs/dbraw/zinc/11/11/96/905111196.db2.gz RTHFMSQJXSLEBN-HNNXBMFYSA-N 0 0 419.306 4.028 20 5 HIBDRN O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000493549695 905158947 /nfs/dbraw/zinc/15/89/47/905158947.db2.gz GNZHAUUNIRNUBL-CYBMUJFWSA-N 0 0 408.254 4.369 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000493914966 905264929 /nfs/dbraw/zinc/26/49/29/905264929.db2.gz CBZJKCHDRLOWDC-HNNXBMFYSA-N 0 0 411.458 4.041 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1[N+](=O)[O-] ZINC000493951584 905303188 /nfs/dbraw/zinc/30/31/88/905303188.db2.gz CMXPCVYMFFKHOH-HNNXBMFYSA-N 0 0 415.449 4.290 20 5 HIBDRN COc1cc(CNc2ccc3c(c2)CCCC(=O)N3)c([N+](=O)[O-])cc1OCC(F)F ZINC000493984179 905327220 /nfs/dbraw/zinc/32/72/20/905327220.db2.gz QMTSKKGNIXIXAK-UHFFFAOYSA-N 0 0 421.400 4.134 20 5 HIBDRN C[C@H](CC1CC1)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000493988000 905331725 /nfs/dbraw/zinc/33/17/25/905331725.db2.gz CIAZSVYZYXDIHJ-MRXNPFEDSA-N 0 0 404.470 4.295 20 5 HIBDRN CSc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000493992143 905335186 /nfs/dbraw/zinc/33/51/86/905335186.db2.gz LAFFFYWLVVYXBG-LLVKDONJSA-N 0 0 407.879 4.094 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(-c3cccs3)c2)cc1[N+](=O)[O-] ZINC000494014155 905353589 /nfs/dbraw/zinc/35/35/89/905353589.db2.gz CDNATVAWYWIMFW-AWEZNQCLSA-N 0 0 409.467 4.448 20 5 HIBDRN Cc1nc(C(F)(F)F)ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000512412813 921144195 /nfs/dbraw/zinc/14/41/95/921144195.db2.gz RJOKXIFOLSRXQX-UHFFFAOYSA-N 0 0 408.380 4.172 20 5 HIBDRN O=C(NCCc1cccc2cccnc21)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494190594 905525277 /nfs/dbraw/zinc/52/52/77/905525277.db2.gz CBWAHSTUWWAZSZ-UHFFFAOYSA-N 0 0 418.375 4.204 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000494212803 905543459 /nfs/dbraw/zinc/54/34/59/905543459.db2.gz PKSYDVQLRSJQIK-UHFFFAOYSA-N 0 0 410.474 4.273 20 5 HIBDRN Cc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C(=O)N1CCCC1 ZINC000494223753 905552680 /nfs/dbraw/zinc/55/26/80/905552680.db2.gz OMRUHAARYUHQIG-UHFFFAOYSA-N 0 0 422.485 4.336 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000494250911 905575715 /nfs/dbraw/zinc/57/57/15/905575715.db2.gz MDGGGRUMEWEWAY-HNNXBMFYSA-N 0 0 420.849 4.214 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000494250716 905576602 /nfs/dbraw/zinc/57/66/02/905576602.db2.gz KTHNUBKTXUBSDA-KRWDZBQOSA-N 0 0 404.850 4.377 20 5 HIBDRN C[C@@H]1CN(c2ccccc2NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@@H](C)O1 ZINC000494263837 905588524 /nfs/dbraw/zinc/58/85/24/905588524.db2.gz BAVYLWFEDZBMAI-IAGOWNOFSA-N 0 0 424.501 4.405 20 5 HIBDRN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(Br)c(F)c1 ZINC000494275461 905599414 /nfs/dbraw/zinc/59/94/14/905599414.db2.gz ZVBJDWRKJGDUMN-UHFFFAOYSA-N 0 0 421.226 4.178 20 5 HIBDRN O=C(Nc1ccncc1F)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000494329563 905641369 /nfs/dbraw/zinc/64/13/69/905641369.db2.gz YCTYCLQMMQYNKA-UHFFFAOYSA-N 0 0 400.797 4.069 20 5 HIBDRN Cc1ccc(-c2nc(CNC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)co2)cc1 ZINC000494453243 905735155 /nfs/dbraw/zinc/73/51/55/905735155.db2.gz JMIHSYXBCSUHFA-UHFFFAOYSA-N 0 0 406.442 4.432 20 5 HIBDRN CC(C)CN(C(=O)c1ccc(C(=O)N(CC(C)C)C2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000494625259 905870731 /nfs/dbraw/zinc/87/07/31/905870731.db2.gz KCADOFIVUCPCNQ-UHFFFAOYSA-N 0 0 401.507 4.116 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000494653081 905885535 /nfs/dbraw/zinc/88/55/35/905885535.db2.gz KENZPLJKUVWLTC-UHFFFAOYSA-N 0 0 417.421 4.059 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000494771365 905969416 /nfs/dbraw/zinc/96/94/16/905969416.db2.gz GEANYOJKTUPGTP-CQSZACIVSA-N 0 0 420.849 4.071 20 5 HIBDRN Cc1ccc(CO)cc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000494801933 906002183 /nfs/dbraw/zinc/00/21/83/906002183.db2.gz UFRUZHFTACSYGW-OAHLLOKOSA-N 0 0 406.442 4.216 20 5 HIBDRN C[C@H](Oc1ccccc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000494801255 906002612 /nfs/dbraw/zinc/00/26/12/906002612.db2.gz STXQFGGDOFKSNU-JTQLQIEISA-N 0 0 421.331 4.431 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)[nH]n1 ZINC000494803501 906004184 /nfs/dbraw/zinc/00/41/84/906004184.db2.gz FWVMNGWWRWIGGV-GFCCVEGCSA-N 0 0 414.849 4.433 20 5 HIBDRN CCOc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1[N+](=O)[O-] ZINC000512494590 921199657 /nfs/dbraw/zinc/19/96/57/921199657.db2.gz QJCWTGKQIFRVCQ-LJQANCHMSA-N 0 0 417.893 4.214 20 5 HIBDRN CCOc1ccccc1CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494886475 906063264 /nfs/dbraw/zinc/06/32/64/906063264.db2.gz PDQMNNPOTRDRIH-UHFFFAOYSA-N 0 0 411.380 4.054 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccc(F)cc1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000494950882 906123718 /nfs/dbraw/zinc/12/37/18/906123718.db2.gz OKAQESDAJFYPES-OAHLLOKOSA-N 0 0 401.438 4.186 20 5 HIBDRN C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1noc(Cc2ccccc2)n1 ZINC000495005374 906165707 /nfs/dbraw/zinc/16/57/07/906165707.db2.gz JFRWITGGMIMDNK-HNNXBMFYSA-N 0 0 421.457 4.004 20 5 HIBDRN COC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1Br ZINC000495039597 906196602 /nfs/dbraw/zinc/19/66/02/906196602.db2.gz PZNDPJQXAONSIK-JTQLQIEISA-N 0 0 422.235 4.027 20 5 HIBDRN O=C(Cn1cc(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1)NC1CCCC1 ZINC000495088778 906231543 /nfs/dbraw/zinc/23/15/43/906231543.db2.gz MYVMCWFWNKFRNJ-HSZRJFAPSA-N 0 0 419.485 4.052 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000495110319 906245904 /nfs/dbraw/zinc/24/59/04/906245904.db2.gz IUNCFRKYJGXBMT-UHFFFAOYSA-N 0 0 415.400 4.164 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000495130469 906259261 /nfs/dbraw/zinc/25/92/61/906259261.db2.gz HMYADBIHYWQSGB-UHFFFAOYSA-N 0 0 408.458 4.027 20 5 HIBDRN CC[C@@H](C[C@H](C)CO)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000495340389 906387220 /nfs/dbraw/zinc/38/72/20/906387220.db2.gz QLXVAHIWABWATQ-HOCLYGCPSA-N 0 0 419.909 4.387 20 5 HIBDRN COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C2CC2)c(OC)c1 ZINC000512555868 921233318 /nfs/dbraw/zinc/23/33/18/921233318.db2.gz TWVFTXFDCYCKDG-LBPRGKRZSA-N 0 0 404.488 4.423 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)cc2)n[nH]1 ZINC000512555037 921233350 /nfs/dbraw/zinc/23/33/50/921233350.db2.gz LIEYYFGSQLAFGB-CQSZACIVSA-N 0 0 420.473 4.177 20 5 HIBDRN CC(C)(C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000495451333 906457943 /nfs/dbraw/zinc/45/79/43/906457943.db2.gz FDNVIGTYCILDCP-UHFFFAOYSA-N 0 0 411.285 4.200 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000512566165 921241227 /nfs/dbraw/zinc/24/12/27/921241227.db2.gz VNKCQKQGVIZWJU-QGZVFWFLSA-N 0 0 406.446 4.366 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)Cc1ccccc1 ZINC000495820388 906556032 /nfs/dbraw/zinc/55/60/32/906556032.db2.gz OJGSDHCDEFOZIA-HNNXBMFYSA-N 0 0 400.500 4.273 20 5 HIBDRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000495860679 906563540 /nfs/dbraw/zinc/56/35/40/906563540.db2.gz CBKXDFANCZGIKA-WBVHZDCISA-N 0 0 403.523 4.049 20 5 HIBDRN O=C(NCc1ccc(OC2CCCC2)nc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000496284153 906647163 /nfs/dbraw/zinc/64/71/63/906647163.db2.gz NJLOAGRVSDKKTR-UHFFFAOYSA-N 0 0 424.482 4.365 20 5 HIBDRN C[C@@H](O)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000496389780 906671526 /nfs/dbraw/zinc/67/15/26/906671526.db2.gz FEOXVMZJXBWBPZ-GDBMZVCRSA-N 0 0 417.893 4.236 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@H]1CCSC1 ZINC000496598595 906718068 /nfs/dbraw/zinc/71/80/68/906718068.db2.gz IVBZUZAEPILJGS-HNNXBMFYSA-N 0 0 405.907 4.438 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000496608242 906718482 /nfs/dbraw/zinc/71/84/82/906718482.db2.gz BIQDSOJCZVBFJV-ZDUSSCGKSA-N 0 0 424.482 4.499 20 5 HIBDRN Cn1cc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000496630376 906723670 /nfs/dbraw/zinc/72/36/70/906723670.db2.gz JFOYJDBDHDBPCH-INIZCTEOSA-N 0 0 410.861 4.278 20 5 HIBDRN CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000496640916 906726956 /nfs/dbraw/zinc/72/69/56/906726956.db2.gz CNFAPZRAHIDQDB-YWZLYKJASA-N 0 0 417.893 4.093 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccsc3)cc2)cc1[N+](=O)[O-] ZINC000497141398 906811610 /nfs/dbraw/zinc/81/16/10/906811610.db2.gz NMHXFWXVDUUKFQ-UHFFFAOYSA-N 0 0 417.468 4.018 20 5 HIBDRN COc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000497331362 906835707 /nfs/dbraw/zinc/83/57/07/906835707.db2.gz KNYOXRSNPVPYGB-UHFFFAOYSA-N 0 0 420.290 4.154 20 5 HIBDRN CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000497346978 906843802 /nfs/dbraw/zinc/84/38/02/906843802.db2.gz JYACAFQLABYFEO-OAHLLOKOSA-N 0 0 416.739 4.353 20 5 HIBDRN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497349820 906845143 /nfs/dbraw/zinc/84/51/43/906845143.db2.gz GXMMSOOOMWAFRQ-INIZCTEOSA-N 0 0 416.384 4.060 20 5 HIBDRN O=C(Nc1c(F)cccc1Br)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497349938 906846299 /nfs/dbraw/zinc/84/62/99/906846299.db2.gz IVNFPEXSXLDOBO-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN CCC1(CO)CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 ZINC000497354008 906847388 /nfs/dbraw/zinc/84/73/88/906847388.db2.gz ZLPJVOXRJZHQLH-UHFFFAOYSA-N 0 0 421.544 4.136 20 5 HIBDRN COCCn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc21 ZINC000497394132 906876245 /nfs/dbraw/zinc/87/62/45/906876245.db2.gz XVBMBLVDZASDMV-UHFFFAOYSA-N 0 0 407.348 4.467 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000512667128 921280792 /nfs/dbraw/zinc/28/07/92/921280792.db2.gz AAUSDOUCUBQNRG-XJKCOSOUSA-N 0 0 419.503 4.193 20 5 HIBDRN CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000497518304 907009332 /nfs/dbraw/zinc/00/93/32/907009332.db2.gz YONDLWCABZXKDR-UHFFFAOYSA-N 0 0 422.485 4.231 20 5 HIBDRN Cc1ccc(Nc2nnc(Sc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])s2)cc1 ZINC000497538275 907029014 /nfs/dbraw/zinc/02/90/14/907029014.db2.gz JDFGIOGQGHPTDO-UHFFFAOYSA-N 0 0 422.513 4.053 20 5 HIBDRN COc1ccc(Cl)cc1NCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000497580422 907063796 /nfs/dbraw/zinc/06/37/96/907063796.db2.gz BQNIIORRIIXVQQ-UHFFFAOYSA-N 0 0 403.866 4.250 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000497650284 907139255 /nfs/dbraw/zinc/13/92/55/907139255.db2.gz CNBDLYYUYBUGPZ-MOPGFXCFSA-N 0 0 403.866 4.010 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)=C(c2ccco2)C1 ZINC000512757143 921302573 /nfs/dbraw/zinc/30/25/73/921302573.db2.gz FCPACVFCHKKOFF-UHFFFAOYSA-N 0 0 402.472 4.246 20 5 HIBDRN COc1ccc2cc(CN(C)S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])ccc2c1 ZINC000497738299 907233546 /nfs/dbraw/zinc/23/35/46/907233546.db2.gz QCWBATONGVRUMC-UHFFFAOYSA-N 0 0 414.483 4.194 20 5 HIBDRN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000497745407 907237847 /nfs/dbraw/zinc/23/78/47/907237847.db2.gz FJOKTIFPJSWDML-JKSUJKDBSA-N 0 0 400.500 4.006 20 5 HIBDRN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000497745405 907239389 /nfs/dbraw/zinc/23/93/89/907239389.db2.gz FJOKTIFPJSWDML-HOTGVXAUSA-N 0 0 400.500 4.006 20 5 HIBDRN CCOc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)cc1 ZINC000512774413 921309498 /nfs/dbraw/zinc/30/94/98/921309498.db2.gz DUPGMSIGIDLERE-LJQANCHMSA-N 0 0 418.496 4.123 20 5 HIBDRN CC(C)[C@H](C)C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000497795670 907281767 /nfs/dbraw/zinc/28/17/67/907281767.db2.gz PPCXXHKVDBACQC-INIZCTEOSA-N 0 0 401.532 4.260 20 5 HIBDRN CCOC(=O)c1cccc(N(CC)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000497799589 907285196 /nfs/dbraw/zinc/28/51/96/907285196.db2.gz MWBCOJVDUXBJNN-UHFFFAOYSA-N 0 0 408.357 4.040 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC(C)=C(c3ccco3)C2)cc1[N+](=O)[O-] ZINC000512781098 921310354 /nfs/dbraw/zinc/31/03/54/921310354.db2.gz LZWNMFJDYUSDCW-UHFFFAOYSA-N 0 0 402.472 4.136 20 5 HIBDRN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1OC(F)F ZINC000497808275 907293768 /nfs/dbraw/zinc/29/37/68/907293768.db2.gz ONMXMRLMGMSYPT-GFCCVEGCSA-N 0 0 417.368 4.001 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000497843594 907322896 /nfs/dbraw/zinc/32/28/96/907322896.db2.gz SHOCGHPZTBMNOP-LLVKDONJSA-N 0 0 410.243 4.365 20 5 HIBDRN O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000512805987 921315293 /nfs/dbraw/zinc/31/52/93/921315293.db2.gz OQXCUOYKCLHSSR-UHFFFAOYSA-N 0 0 422.919 4.204 20 5 HIBDRN CC1(C)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000497862153 907341337 /nfs/dbraw/zinc/34/13/37/907341337.db2.gz ANXRKUGFGSIJEZ-MRXNPFEDSA-N 0 0 423.391 4.188 20 5 HIBDRN Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000497882899 907355841 /nfs/dbraw/zinc/35/58/41/907355841.db2.gz RVYGDARZZLGAOC-PHIMTYICSA-N 0 0 407.421 4.299 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1cccc(Cl)c1Cl ZINC000497880951 907356008 /nfs/dbraw/zinc/35/60/08/907356008.db2.gz KZWXJCKIKNFYOT-SNVBAGLBSA-N 0 0 415.298 4.477 20 5 HIBDRN O=C(Nc1nccs1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000497899410 907373045 /nfs/dbraw/zinc/37/30/45/907373045.db2.gz NUPGQXZITBVQHN-UHFFFAOYSA-N 0 0 419.422 4.104 20 5 HIBDRN O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000497899249 907373504 /nfs/dbraw/zinc/37/35/04/907373504.db2.gz MNNGEEQOQZRPJZ-HOTGVXAUSA-N 0 0 416.302 4.152 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000497923947 907393543 /nfs/dbraw/zinc/39/35/43/907393543.db2.gz FBWFIABRCXOJQZ-HWPZZCPQSA-N 0 0 400.328 4.259 20 5 HIBDRN CC(C)(CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1Cl ZINC000497928014 907394385 /nfs/dbraw/zinc/39/43/85/907394385.db2.gz ORMWZUCITOCJKZ-UHFFFAOYSA-N 0 0 416.840 4.281 20 5 HIBDRN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000497953136 907423393 /nfs/dbraw/zinc/42/33/93/907423393.db2.gz QPRJXTCISZQICB-OAHLLOKOSA-N 0 0 418.418 4.050 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccc(OCC4CC4)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000497974928 907447600 /nfs/dbraw/zinc/44/76/00/907447600.db2.gz JRPKAFFFIRBNEH-UHFFFAOYSA-N 0 0 420.469 4.498 20 5 HIBDRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000498008660 907498847 /nfs/dbraw/zinc/49/88/47/907498847.db2.gz JQTPYAXCJIWPLZ-LBPRGKRZSA-N 0 0 413.783 4.276 20 5 HIBDRN Cn1cc2c(n1)CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000512830272 921334563 /nfs/dbraw/zinc/33/45/63/921334563.db2.gz XNLCLDAGUZYGLR-GOSISDBHSA-N 0 0 408.483 4.287 20 5 HIBDRN CCc1cc(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)ccc2[nH]1 ZINC000498076635 907584119 /nfs/dbraw/zinc/58/41/19/907584119.db2.gz NLOHYYZURPDSER-UHFFFAOYSA-N 0 0 405.332 4.270 20 5 HIBDRN CSc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1NC(C)=O ZINC000498136352 907656350 /nfs/dbraw/zinc/65/63/50/907656350.db2.gz SEGZLGWQRSJPRD-IBGZPJMESA-N 0 0 417.512 4.163 20 5 HIBDRN O=C(CSc1nc2ccccc2o1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498141369 907663177 /nfs/dbraw/zinc/66/31/77/907663177.db2.gz XITIVFFMBQYZIP-KRWDZBQOSA-N 0 0 401.469 4.102 20 5 HIBDRN O=C(c1csc(Nc2ccccn2)n1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498159062 907687200 /nfs/dbraw/zinc/68/72/00/907687200.db2.gz GORYKFHVZZINJJ-QGZVFWFLSA-N 0 0 413.484 4.078 20 5 HIBDRN CC(C)OCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000498171366 907700467 /nfs/dbraw/zinc/70/04/67/907700467.db2.gz ZIUQFSUMCOTSSI-UHFFFAOYSA-N 0 0 409.442 4.337 20 5 HIBDRN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498188215 907721133 /nfs/dbraw/zinc/72/11/33/907721133.db2.gz PYXYZAYDQYGPEY-SFHVURJKSA-N 0 0 403.398 4.123 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1C[C@@H](CO)c2ccccc21 ZINC000498238378 907772223 /nfs/dbraw/zinc/77/22/23/907772223.db2.gz SMYAZVAZHNIYRD-HNNXBMFYSA-N 0 0 406.463 4.482 20 5 HIBDRN O=C(Nc1ccccc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498238927 907772654 /nfs/dbraw/zinc/77/26/54/907772654.db2.gz VOGGPRPLHFPOHD-UHFFFAOYSA-N 0 0 406.263 4.390 20 5 HIBDRN O=C(Nc1nc2c(cccc2C(F)(F)F)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000498242271 907778052 /nfs/dbraw/zinc/77/80/52/907778052.db2.gz KKYWWDVHAHYTLY-UHFFFAOYSA-N 0 0 411.317 4.204 20 5 HIBDRN COc1ccc(OC)c(CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C2CC2)c1 ZINC000498243040 907779260 /nfs/dbraw/zinc/77/92/60/907779260.db2.gz NMXOOCJAYAIWTE-UHFFFAOYSA-N 0 0 422.384 4.018 20 5 HIBDRN O=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000498277402 907813369 /nfs/dbraw/zinc/81/33/69/907813369.db2.gz RTUXEHGXOCBBGX-UHFFFAOYSA-N 0 0 406.320 4.241 20 5 HIBDRN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000498307082 907830901 /nfs/dbraw/zinc/83/09/01/907830901.db2.gz WZUBMCQPZFHHDX-MRXNPFEDSA-N 0 0 416.503 4.084 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)cc1OC ZINC000498342987 907848799 /nfs/dbraw/zinc/84/87/99/907848799.db2.gz JWPRVWGSFZVOKY-UHFFFAOYSA-N 0 0 422.840 4.256 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000498409015 907887303 /nfs/dbraw/zinc/88/73/03/907887303.db2.gz IEEPOHFUACCAIP-GOSISDBHSA-N 0 0 405.454 4.007 20 5 HIBDRN CNC(=O)Nc1cc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000512863773 921364361 /nfs/dbraw/zinc/36/43/61/921364361.db2.gz GJSMWKZXVLKRJD-UHFFFAOYSA-N 0 0 401.423 4.221 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NCc2cccc(N(C)C)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000498531610 908000766 /nfs/dbraw/zinc/00/07/66/908000766.db2.gz JFNOGVDKDYOCFJ-MRXNPFEDSA-N 0 0 419.485 4.159 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccncc1 ZINC000498599674 908048393 /nfs/dbraw/zinc/04/83/93/908048393.db2.gz GHSNZURXEHACFA-INIZCTEOSA-N 0 0 421.453 4.377 20 5 HIBDRN O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc2ccccc2c2cccnc12 ZINC000512894591 921388651 /nfs/dbraw/zinc/38/86/51/921388651.db2.gz HJMWEBUIRUYNGU-IBGZPJMESA-N 0 0 410.477 4.424 20 5 HIBDRN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c(OC)c1 ZINC000498874190 908272769 /nfs/dbraw/zinc/27/27/69/908272769.db2.gz IFQULAIKZGYIEP-UHFFFAOYSA-N 0 0 421.453 4.154 20 5 HIBDRN Cc1c(CC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cccc1[N+](=O)[O-] ZINC000498912868 908322287 /nfs/dbraw/zinc/32/22/87/908322287.db2.gz VZXBFXMKGIIMMB-UHFFFAOYSA-N 0 0 415.247 4.033 20 5 HIBDRN Cc1cccc([C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2ccccn2)c1 ZINC000499014645 908390017 /nfs/dbraw/zinc/39/00/17/908390017.db2.gz QYADCUZWTRCTAQ-QFIPXVFZSA-N 0 0 402.454 4.156 20 5 HIBDRN Cc1ccc(C)n1C1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000499025576 908400507 /nfs/dbraw/zinc/40/05/07/908400507.db2.gz ZLOXLECQLPQAGQ-UHFFFAOYSA-N 0 0 410.518 4.093 20 5 HIBDRN Cc1ccc(C)n1C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000499060409 908429776 /nfs/dbraw/zinc/42/97/76/908429776.db2.gz XUNNEOZXYNNLMF-UHFFFAOYSA-N 0 0 413.521 4.437 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC000499180306 908535410 /nfs/dbraw/zinc/53/54/10/908535410.db2.gz OJNONDOVQSWUPJ-DNVCBOLYSA-N 0 0 400.479 4.224 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cc(C(F)(F)F)ccc1F ZINC000499196868 908551398 /nfs/dbraw/zinc/55/13/98/908551398.db2.gz SBCWXJGSVOFUQU-JXMROGBWSA-N 0 0 405.307 4.407 20 5 HIBDRN COc1ccc(CC[C@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000499209614 908564383 /nfs/dbraw/zinc/56/43/83/908564383.db2.gz RXQCQEUDGFOZLY-AWEZNQCLSA-N 0 0 411.483 4.478 20 5 HIBDRN CCOc1cc(NC(=O)Nc2cnn(CC(C)C)c2C)c([N+](=O)[O-])cc1OCC ZINC000499218597 908574754 /nfs/dbraw/zinc/57/47/54/908574754.db2.gz LGOMBGRRXVDCJM-UHFFFAOYSA-N 0 0 405.455 4.197 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000512934096 921424417 /nfs/dbraw/zinc/42/44/17/921424417.db2.gz PCTRYVNRRSVXMG-UHFFFAOYSA-N 0 0 403.410 4.311 20 5 HIBDRN COc1ccc([C@@H](Cc2ccccc2C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1OC ZINC000499251013 908624018 /nfs/dbraw/zinc/62/40/18/908624018.db2.gz WOBRDCPVVXUOQL-QGZVFWFLSA-N 0 0 410.426 4.227 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000499280907 908659917 /nfs/dbraw/zinc/65/99/17/908659917.db2.gz NDWKYGHEZUSPOE-UHFFFAOYSA-N 0 0 408.451 4.040 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000512954034 921434682 /nfs/dbraw/zinc/43/46/82/921434682.db2.gz FCARTWBAIHOZRO-UHFFFAOYSA-N 0 0 403.276 4.090 20 5 HIBDRN CCc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)c2cc([N+](=O)[O-])ccc2n1 ZINC000499386901 908749808 /nfs/dbraw/zinc/74/98/08/908749808.db2.gz FMDVDPWNBDODBK-UHFFFAOYSA-N 0 0 416.437 4.354 20 5 HIBDRN COc1cc(-c2nc(-c3ccc(NC(C)=O)c(C(F)(F)F)c3)no2)ccc1[N+](=O)[O-] ZINC000499620428 908857889 /nfs/dbraw/zinc/85/78/89/908857889.db2.gz SIHTZAAZYHOIPB-UHFFFAOYSA-N 0 0 422.319 4.298 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c1 ZINC000512984573 921454152 /nfs/dbraw/zinc/45/41/52/921454152.db2.gz HKIIEKCJWWVMOT-UHFFFAOYSA-N 0 0 413.377 4.460 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N1CCc3ccc([N+](=O)[O-])cc31)O[C@H](C)C2 ZINC000499850643 908984932 /nfs/dbraw/zinc/98/49/32/908984932.db2.gz LVWTUVOEEIXTJE-FMEYXAORSA-N 0 0 408.454 4.010 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000499890262 909015686 /nfs/dbraw/zinc/01/56/86/909015686.db2.gz UTBJBLDQRJXGNY-OAQYLSRUSA-N 0 0 420.412 4.399 20 5 HIBDRN CCc1c(C)nn(-c2cccc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2)c1C ZINC000513003657 921469714 /nfs/dbraw/zinc/46/97/14/921469714.db2.gz JUZQEBIDQLZZED-UHFFFAOYSA-N 0 0 406.486 4.274 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000513009268 921472910 /nfs/dbraw/zinc/47/29/10/921472910.db2.gz RFOBKJILQCJPBN-KBXCAEBGSA-N 0 0 424.906 4.003 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000513009270 921473329 /nfs/dbraw/zinc/47/33/29/921473329.db2.gz RFOBKJILQCJPBN-KSSFIOAISA-N 0 0 424.906 4.003 20 5 HIBDRN CCC(CC)(C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000513009461 921474536 /nfs/dbraw/zinc/47/45/36/921474536.db2.gz SFJWLZYQLQAWNH-UHFFFAOYSA-N 0 0 414.502 4.371 20 5 HIBDRN COc1cccc(C(F)(F)CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000513022158 921484252 /nfs/dbraw/zinc/48/42/52/921484252.db2.gz PZSIRQXZWIFNRM-UHFFFAOYSA-N 0 0 406.414 4.004 20 5 HIBDRN COc1ccc(-c2nc3c(s2)[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCC3)cc1 ZINC000500005347 909453209 /nfs/dbraw/zinc/45/32/09/909453209.db2.gz JIAGFJNQXKUYFC-OAHLLOKOSA-N 0 0 424.482 4.117 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1(c2ccc(F)cc2)CC1 ZINC000500045410 909510080 /nfs/dbraw/zinc/51/00/80/909510080.db2.gz KPXSABCWUMYQCQ-UHFFFAOYSA-N 0 0 400.453 4.142 20 5 HIBDRN CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000500088810 909566402 /nfs/dbraw/zinc/56/64/02/909566402.db2.gz IJIRQPALYSMDBO-AWEZNQCLSA-N 0 0 404.385 4.244 20 5 HIBDRN CC(C)[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000500142577 909622950 /nfs/dbraw/zinc/62/29/50/909622950.db2.gz JMQBHDNMLOFTAU-QGZVFWFLSA-N 0 0 400.859 4.405 20 5 HIBDRN COc1cccc(C2(F)CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000500156716 909639497 /nfs/dbraw/zinc/63/94/97/909639497.db2.gz RHZCJUSIGYGHHM-INIZCTEOSA-N 0 0 415.465 4.200 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(F)(c3ccc(Cl)cc3)CC2)s1 ZINC000513057800 921514168 /nfs/dbraw/zinc/51/41/68/921514168.db2.gz NBLHBMVBIZHNCA-UHFFFAOYSA-N 0 0 418.899 4.178 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)cc([N+](=O)[O-])c1 ZINC000500208645 909696236 /nfs/dbraw/zinc/69/62/36/909696236.db2.gz DMWMXCBNLWBTDO-NRFANRHFSA-N 0 0 408.454 4.454 20 5 HIBDRN Cn1cnc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3Sc3cccs3)cnc21 ZINC000500323599 909784144 /nfs/dbraw/zinc/78/41/44/909784144.db2.gz MFPGGTFTQJHKTM-UHFFFAOYSA-N 0 0 411.468 4.342 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000500330994 909792110 /nfs/dbraw/zinc/79/21/10/909792110.db2.gz LXKRHZFXVQUNRL-QWHCGFSZSA-N 0 0 423.391 4.169 20 5 HIBDRN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000500332343 909792466 /nfs/dbraw/zinc/79/24/66/909792466.db2.gz NXSIKAFUBBWVMX-UHFFFAOYSA-N 0 0 424.420 4.348 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000500334283 909794612 /nfs/dbraw/zinc/79/46/12/909794612.db2.gz PNFZVQPVSXMLQL-AHBIMHKDSA-N 0 0 400.397 4.015 20 5 HIBDRN CC(C)c1ccc(C[C@H](C)NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000500363729 909813455 /nfs/dbraw/zinc/81/34/55/909813455.db2.gz UUNFUGXLKHAEFO-ZDUSSCGKSA-N 0 0 403.866 4.058 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(Br)c3)C2)c2ccncc21 ZINC000500556913 909926160 /nfs/dbraw/zinc/92/61/60/909926160.db2.gz AOZHYQSDMLEQIP-IBGZPJMESA-N 0 0 414.259 4.483 20 5 HIBDRN CCOc1cc(C(=O)N(Cc2ccccc2F)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000500557419 909926519 /nfs/dbraw/zinc/92/65/19/909926519.db2.gz SQSFGDWGSBBDIK-UHFFFAOYSA-N 0 0 404.438 4.440 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCCC[C@@H]2C(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC000500618305 909970189 /nfs/dbraw/zinc/97/01/89/909970189.db2.gz FZFLLEXBUFHQLF-SUMWQHHRSA-N 0 0 404.417 4.423 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCC3(C)CCOCC3)cc2[N+](=O)[O-])n1 ZINC000500618559 909970627 /nfs/dbraw/zinc/97/06/27/909970627.db2.gz PZXHLTBPZSNADY-UHFFFAOYSA-N 0 0 407.517 4.057 20 5 HIBDRN CN(Cc1ccccc1-c1ccccc1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000500642349 909986697 /nfs/dbraw/zinc/98/66/97/909986697.db2.gz LMEUIUYPESBTQN-UHFFFAOYSA-N 0 0 410.495 4.266 20 5 HIBDRN CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CC(=O)Nc1ccccc1 ZINC000500657827 910000813 /nfs/dbraw/zinc/00/08/13/910000813.db2.gz SYTDGJZCJIOQAG-OAHLLOKOSA-N 0 0 417.893 4.447 20 5 HIBDRN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000500683293 910018452 /nfs/dbraw/zinc/01/84/52/910018452.db2.gz USCFVUZLSFOUFV-ZDUSSCGKSA-N 0 0 416.421 4.179 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(CN(C)C)c2)cc1SC ZINC000500786413 910078376 /nfs/dbraw/zinc/07/83/76/910078376.db2.gz JVNMFHWCAIXEOP-UHFFFAOYSA-N 0 0 409.895 4.293 20 5 HIBDRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000500800790 910089751 /nfs/dbraw/zinc/08/97/51/910089751.db2.gz MUPLEYMFKXZZSJ-UHFFFAOYSA-N 0 0 424.840 4.174 20 5 HIBDRN O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000500901804 910171462 /nfs/dbraw/zinc/17/14/62/910171462.db2.gz DUDLLALIVOTHLZ-CYBMUJFWSA-N 0 0 405.414 4.018 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1c(F)cccc1Oc1ccccc1 ZINC000500926040 910187264 /nfs/dbraw/zinc/18/72/64/910187264.db2.gz FVTWREHEAPBQNB-CQSZACIVSA-N 0 0 423.400 4.283 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000500930899 910192668 /nfs/dbraw/zinc/19/26/68/910192668.db2.gz MOMWOJDNPIOUTO-UHFFFAOYSA-N 0 0 415.450 4.007 20 5 HIBDRN CC(C)(NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000500964159 910209615 /nfs/dbraw/zinc/20/96/15/910209615.db2.gz IVIJOIRNXLCYTI-UHFFFAOYSA-N 0 0 416.421 4.011 20 5 HIBDRN CC[C@@H](NC(=O)c1cc(NC(=O)N(C)C)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000501113403 910300932 /nfs/dbraw/zinc/30/09/32/910300932.db2.gz SOSOIJHQVBYCHC-QGZVFWFLSA-N 0 0 404.854 4.223 20 5 HIBDRN C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccc1C(F)(F)F ZINC000501159038 910328623 /nfs/dbraw/zinc/32/86/23/910328623.db2.gz YZVJEHPYVUURKG-QWHCGFSZSA-N 0 0 416.421 4.225 20 5 HIBDRN O=[N+]([O-])c1cc(C[S@](=O)Cc2ccc(Cl)c(Cl)c2)c2c(c1)COCO2 ZINC000501204960 910368118 /nfs/dbraw/zinc/36/81/18/910368118.db2.gz KEWYWSPKFGQOFW-RUZDIDTESA-N 0 0 402.255 4.217 20 5 HIBDRN COc1ccc([C@H]2C[C@H](NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)cc1F ZINC000501279324 910442819 /nfs/dbraw/zinc/44/28/19/910442819.db2.gz GAOJASMNQXHJSW-YEORSEQZSA-N 0 0 412.339 4.437 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000501343779 910479401 /nfs/dbraw/zinc/47/94/01/910479401.db2.gz MYOWMGXGKJQOCL-FQEVSTJZSA-N 0 0 402.447 4.122 20 5 HIBDRN Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000501429544 910560897 /nfs/dbraw/zinc/56/08/97/910560897.db2.gz NMPXDLZWGFBBBI-LLVKDONJSA-N 0 0 403.287 4.391 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000513160467 921591852 /nfs/dbraw/zinc/59/18/52/921591852.db2.gz PJFJDUSZCVXOOH-SFHVURJKSA-N 0 0 406.364 4.216 20 5 HIBDRN CCCn1nccc1C1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000501535188 910644400 /nfs/dbraw/zinc/64/44/00/910644400.db2.gz VRXGTHDMUMTALE-HNNXBMFYSA-N 0 0 410.478 4.192 20 5 HIBDRN C[C@H](Cc1cccc(Br)c1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000501576474 910683435 /nfs/dbraw/zinc/68/34/35/910683435.db2.gz BJCZMIDIVKTVAN-CYBMUJFWSA-N 0 0 416.275 4.059 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC=C(c2cccc3ccccc32)C1 ZINC000501587259 910693943 /nfs/dbraw/zinc/69/39/43/910693943.db2.gz HQEBFNNBEBHCER-UHFFFAOYSA-N 0 0 410.433 4.473 20 5 HIBDRN O=[N+]([O-])c1ccc2nc(NC[C@@H](O)COc3ccc(C(F)(F)F)cc3)ccc2c1 ZINC000513172330 921599643 /nfs/dbraw/zinc/59/96/43/921599643.db2.gz FPMPOGKSKIGNDD-OAHLLOKOSA-N 0 0 407.348 4.014 20 5 HIBDRN COc1ccc(CN(CC2CC2)C(=O)c2cc(SC)ccc2[N+](=O)[O-])c(OC)c1 ZINC000501693904 910764686 /nfs/dbraw/zinc/76/46/86/910764686.db2.gz MXUPBIGRAIYCHA-UHFFFAOYSA-N 0 0 416.499 4.386 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cccc1[N+](=O)[O-] ZINC000501695867 910765854 /nfs/dbraw/zinc/76/58/54/910765854.db2.gz ILBIZDGOHZPQMI-UHFFFAOYSA-N 0 0 415.449 4.287 20 5 HIBDRN C[C@H](O)CNC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc([N+](=O)[O-])cc1 ZINC000501782877 910837827 /nfs/dbraw/zinc/83/78/27/910837827.db2.gz WWGXBQLGNPBYMS-SUCHYCSPSA-N 0 0 417.465 4.131 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC000501808473 910859527 /nfs/dbraw/zinc/85/95/27/910859527.db2.gz OXLZDYSATQIFPG-LJQANCHMSA-N 0 0 424.432 4.470 20 5 HIBDRN Cc1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1[N+](=O)[O-] ZINC000501909514 910915476 /nfs/dbraw/zinc/91/54/76/910915476.db2.gz UAAWJONLMMKNLI-UHFFFAOYSA-N 0 0 422.403 4.400 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000501965865 910951783 /nfs/dbraw/zinc/95/17/83/910951783.db2.gz WOEKDMBYSQKURG-UHFFFAOYSA-N 0 0 412.248 4.393 20 5 HIBDRN COc1cc(C)cc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000502091160 911030249 /nfs/dbraw/zinc/03/02/49/911030249.db2.gz UIEISOKBPWEYIC-INIZCTEOSA-N 0 0 420.469 4.410 20 5 HIBDRN CCOc1cc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000502178991 911105327 /nfs/dbraw/zinc/10/53/27/911105327.db2.gz ZQQWLRYYXJSKDY-UHFFFAOYSA-N 0 0 421.400 4.099 20 5 HIBDRN CCCOc1ccccc1Oc1ncccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000502288645 911244529 /nfs/dbraw/zinc/24/45/29/911244529.db2.gz QLPPLDKHHIMUKG-UHFFFAOYSA-N 0 0 421.453 4.430 20 5 HIBDRN O=C(Cc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000502293025 911250415 /nfs/dbraw/zinc/25/04/15/911250415.db2.gz JHOZZMVZLONBPM-UHFFFAOYSA-N 0 0 419.466 4.179 20 5 HIBDRN CCOc1cc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OC(F)F ZINC000502320533 911295920 /nfs/dbraw/zinc/29/59/20/911295920.db2.gz UUJMOTWNLQIMQX-UHFFFAOYSA-N 0 0 406.341 4.271 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000502355336 911336846 /nfs/dbraw/zinc/33/68/46/911336846.db2.gz PLRYKNJBPQWJCS-KBPBESRZSA-N 0 0 419.503 4.147 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2OC)cc1 ZINC000502375161 911359874 /nfs/dbraw/zinc/35/98/74/911359874.db2.gz PTXXDBGPHHNMSD-QFIPXVFZSA-N 0 0 422.437 4.140 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCCCC[C@H]3C(N)=O)c([N+](=O)[O-])c2)cc1 ZINC000502380635 911367067 /nfs/dbraw/zinc/36/70/67/911367067.db2.gz VRNJMNKPJJCPKL-QZTJIDSGSA-N 0 0 410.474 4.002 20 5 HIBDRN COc1cc(Cl)ccc1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000502464227 911453897 /nfs/dbraw/zinc/45/38/97/911453897.db2.gz SARMRVQYJOZOAX-UHFFFAOYSA-N 0 0 406.869 4.133 20 5 HIBDRN CCCc1nc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccccc1Cl ZINC000502506723 911512101 /nfs/dbraw/zinc/51/21/01/911512101.db2.gz HSVZNCBFTUOEHS-CYBMUJFWSA-N 0 0 413.865 4.272 20 5 HIBDRN O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000502518787 911523744 /nfs/dbraw/zinc/52/37/44/911523744.db2.gz XQTNDZUATOVCOH-SJCJKPOMSA-N 0 0 412.339 4.260 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000502521245 911528480 /nfs/dbraw/zinc/52/84/80/911528480.db2.gz AWCUAJKBFUWCCT-UHFFFAOYSA-N 0 0 415.515 4.068 20 5 HIBDRN COc1cc(Cl)ccc1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000502527709 911530212 /nfs/dbraw/zinc/53/02/12/911530212.db2.gz IZYYDMJNULVNKM-UHFFFAOYSA-N 0 0 418.755 4.128 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(COCC3CC3)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000502530174 911535127 /nfs/dbraw/zinc/53/51/27/911535127.db2.gz JCBBWNBKDAXLCZ-UHFFFAOYSA-N 0 0 422.384 4.384 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000502540183 911545822 /nfs/dbraw/zinc/54/58/22/911545822.db2.gz MBEHISBLWFAUAK-QGZVFWFLSA-N 0 0 403.504 4.257 20 5 HIBDRN COc1ccc(CSCC(=O)N(Cc2ccco2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000502545945 911552134 /nfs/dbraw/zinc/55/21/34/911552134.db2.gz LFQVMTJPSOVRGV-UHFFFAOYSA-N 0 0 418.393 4.021 20 5 HIBDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000502635074 911665415 /nfs/dbraw/zinc/66/54/15/911665415.db2.gz OKQPZWUOECBXDW-HNNXBMFYSA-N 0 0 423.372 4.398 20 5 HIBDRN COc1cc(CNc2cc(C)ccc2NC(C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000502637147 911669646 /nfs/dbraw/zinc/66/96/46/911669646.db2.gz NLWZCHFDMXTWFD-UHFFFAOYSA-N 0 0 409.389 4.126 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000502648285 911687741 /nfs/dbraw/zinc/68/77/41/911687741.db2.gz BTBYYPPCHUKYRT-VIFPVBQESA-N 0 0 415.780 4.297 20 5 HIBDRN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000502704900 911737984 /nfs/dbraw/zinc/73/79/84/911737984.db2.gz CQOLNNABYGPOCY-UHFFFAOYSA-N 0 0 406.776 4.332 20 5 HIBDRN O=C(NC[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Nc1ccccc1 ZINC000502718061 911749177 /nfs/dbraw/zinc/74/91/77/911749177.db2.gz JGTNAYGPHJVDPO-SFHVURJKSA-N 0 0 422.441 4.157 20 5 HIBDRN CN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000502738666 911763107 /nfs/dbraw/zinc/76/31/07/911763107.db2.gz FWIJPYSEAWNQOH-UHFFFAOYSA-N 0 0 421.419 4.489 20 5 HIBDRN O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000502752323 911775345 /nfs/dbraw/zinc/77/53/45/911775345.db2.gz ZHGBZOXXHCNTSM-UHFFFAOYSA-N 0 0 406.320 4.178 20 5 HIBDRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)Cc1c(F)cccc1[N+](=O)[O-] ZINC000502786477 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ZINC000510319592 918828331 /nfs/dbraw/zinc/82/83/31/918828331.db2.gz MLPNYXRSHBUBTE-OAHLLOKOSA-N 0 0 414.359 4.139 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCCC[C@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000510378997 918862574 /nfs/dbraw/zinc/86/25/74/918862574.db2.gz QTFQKBKHNLDASK-INIZCTEOSA-N 0 0 406.280 4.372 20 5 HIBDRN CCOc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl ZINC000510406970 918878038 /nfs/dbraw/zinc/87/80/38/918878038.db2.gz HIPRXVBANLCTHF-UHFFFAOYSA-N 0 0 404.854 4.001 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510418424 918886373 /nfs/dbraw/zinc/88/63/73/918886373.db2.gz WKJJTIPQXYDZNZ-RDTXWAMCSA-N 0 0 404.430 4.003 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c2ncccc12 ZINC000510426917 918890678 /nfs/dbraw/zinc/89/06/78/918890678.db2.gz DTDJUQFEKSARQO-BHIYHBOVSA-N 0 0 423.494 4.100 20 5 HIBDRN CC(C)C(=O)N1CCCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000510448156 918905363 /nfs/dbraw/zinc/90/53/63/918905363.db2.gz OQFSFGOQPTZVER-UHFFFAOYSA-N 0 0 410.518 4.053 20 5 HIBDRN CC(C)C(=O)N1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000510450812 918906518 /nfs/dbraw/zinc/90/65/18/918906518.db2.gz XTKRDNZYBXSKBL-UHFFFAOYSA-N 0 0 415.465 4.217 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000510475644 918928764 /nfs/dbraw/zinc/92/87/64/918928764.db2.gz NRBFRSUEPQSAGR-PIGZYNQJSA-N 0 0 421.906 4.042 20 5 HIBDRN CCOc1ccc(NC(=O)CN[C@@H](c2cccc(C)c2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000510477134 918930356 /nfs/dbraw/zinc/93/03/56/918930356.db2.gz FUVLAKYQYIMRPS-SFHVURJKSA-N 0 0 411.380 4.134 20 5 HIBDRN COc1ccc(CNC(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000510495999 918943601 /nfs/dbraw/zinc/94/36/01/918943601.db2.gz IOTUFWLQOFJKRM-UHFFFAOYSA-N 0 0 424.457 4.033 20 5 HIBDRN Cc1c(Br)cc(C(=O)NCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000510605960 919048125 /nfs/dbraw/zinc/04/81/25/919048125.db2.gz NSWVJXXFIWDPSB-UHFFFAOYSA-N 0 0 400.232 4.144 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000510608625 919050440 /nfs/dbraw/zinc/05/04/40/919050440.db2.gz MZKBBKXWLGUOGJ-JTQLQIEISA-N 0 0 404.339 4.005 20 5 HIBDRN CCN1CC[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000510635396 919076140 /nfs/dbraw/zinc/07/61/40/919076140.db2.gz ZBPAQPXWCMJTAP-HKUYNNGSSA-N 0 0 415.362 4.215 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000510692085 919130060 /nfs/dbraw/zinc/13/00/60/919130060.db2.gz YNKMCQDYFGQADI-QGZVFWFLSA-N 0 0 421.501 4.344 20 5 HIBDRN COc1cc(F)c([C@@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC ZINC000510708754 919147915 /nfs/dbraw/zinc/14/79/15/919147915.db2.gz CTAQDJZKISYOQQ-SNVBAGLBSA-N 0 0 404.419 4.457 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 ZINC000510718281 919160420 /nfs/dbraw/zinc/16/04/20/919160420.db2.gz RUMMSVNDIYIVAS-UHFFFAOYSA-N 0 0 421.453 4.028 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(OCc2ccccc2)CC1 ZINC000510834094 919314593 /nfs/dbraw/zinc/31/45/93/919314593.db2.gz AOOMJALJSRZADH-UHFFFAOYSA-N 0 0 421.400 4.409 20 5 HIBDRN O=C(NCc1csc(Br)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510843217 919326163 /nfs/dbraw/zinc/32/61/63/919326163.db2.gz MVNACMCDXVLFOE-UHFFFAOYSA-N 0 0 422.207 4.342 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCc2[nH]c3ccccc3c2C1 ZINC000510845009 919330587 /nfs/dbraw/zinc/33/05/87/919330587.db2.gz UGVVLBYCFQJQLR-UHFFFAOYSA-N 0 0 402.357 4.268 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000510882859 919379040 /nfs/dbraw/zinc/37/90/40/919379040.db2.gz MWNRWRZNBLZBII-MRXNPFEDSA-N 0 0 415.490 4.336 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000510910404 919415379 /nfs/dbraw/zinc/41/53/79/919415379.db2.gz BJMMVSPPXIAFPO-IBGZPJMESA-N 0 0 407.829 4.037 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000510956939 919493404 /nfs/dbraw/zinc/49/34/04/919493404.db2.gz DRHQFSQFXGOBCW-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN CC(C)(C(=O)NCCc1cccc(OCC(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000511047095 919637826 /nfs/dbraw/zinc/63/78/26/919637826.db2.gz UBRFGUJUACJHPW-UHFFFAOYSA-N 0 0 410.392 4.172 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000511056540 919653153 /nfs/dbraw/zinc/65/31/53/919653153.db2.gz OFZZGEQBZJNDCB-UHFFFAOYSA-N 0 0 404.488 4.127 20 5 HIBDRN COc1ccc(-c2nc(CN(C)CCc3ccccc3[N+](=O)[O-])cs2)cc1OC ZINC000511080978 919684390 /nfs/dbraw/zinc/68/43/90/919684390.db2.gz KXGPJMGXAGIQKQ-UHFFFAOYSA-N 0 0 413.499 4.410 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000511094654 919698819 /nfs/dbraw/zinc/69/88/19/919698819.db2.gz YSFZHEYFAYOEGK-GOSISDBHSA-N 0 0 423.878 4.064 20 5 HIBDRN CC(=O)Nc1ccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C(F)(F)F)c1 ZINC000511095784 919699567 /nfs/dbraw/zinc/69/95/67/919699567.db2.gz PFZJTOQMKIEEFG-UHFFFAOYSA-N 0 0 421.335 4.234 20 5 HIBDRN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511110946 919722519 /nfs/dbraw/zinc/72/25/19/919722519.db2.gz WMZNGGJSXOTFEG-MRXNPFEDSA-N 0 0 416.547 4.280 20 5 HIBDRN CCOC(=O)c1nc(-c2ccccc2)oc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511125409 919737735 /nfs/dbraw/zinc/73/77/35/919737735.db2.gz NNCNFJVCHGLMMF-UHFFFAOYSA-N 0 0 409.442 4.101 20 5 HIBDRN O=C(CCc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000511128618 919742237 /nfs/dbraw/zinc/74/22/37/919742237.db2.gz ZBMHMCIJPJQLRD-UHFFFAOYSA-N 0 0 408.285 4.183 20 5 HIBDRN Cn1cc(C(=O)N2CCC(C)(c3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511168715 919790558 /nfs/dbraw/zinc/79/05/58/919790558.db2.gz NEUIJWREWYQCSC-UHFFFAOYSA-N 0 0 404.470 4.189 20 5 HIBDRN Cn1c(=O)oc2c1cccc2NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000511198602 919813957 /nfs/dbraw/zinc/81/39/57/919813957.db2.gz MLRDQACVFYCKGC-UHFFFAOYSA-N 0 0 421.434 4.443 20 5 HIBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCc1ncc[nH]1 ZINC000511359440 919952267 /nfs/dbraw/zinc/95/22/67/919952267.db2.gz KADYGWDPIWWNRD-PTNGSMBKSA-N 0 0 419.466 4.175 20 5 HIBDRN O=C(NCCc1nc2ccccc2n1C(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000511378557 919978120 /nfs/dbraw/zinc/97/81/20/919978120.db2.gz KDWODTGLMUNUHM-UHFFFAOYSA-N 0 0 400.341 4.058 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2nc3ccccc3n2C(F)F)c1 ZINC000511388134 919992909 /nfs/dbraw/zinc/99/29/09/919992909.db2.gz OWZMXXBOIVMAKH-UHFFFAOYSA-N 0 0 406.414 4.034 20 5 HIBDRN O=C(Nc1cccc(Nc2ccccc2)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000511462599 920072309 /nfs/dbraw/zinc/07/23/09/920072309.db2.gz OGIZFRMWWKVFOS-SFHVURJKSA-N 0 0 420.425 4.175 20 5 HIBDRN O=C(Nc1nc2c(cccc2Cl)n1CC(F)(F)F)c1csc([N+](=O)[O-])c1 ZINC000511560280 920199061 /nfs/dbraw/zinc/19/90/61/920199061.db2.gz NSFYOSUAKXKFTG-UHFFFAOYSA-N 0 0 404.757 4.474 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000511587482 920234931 /nfs/dbraw/zinc/23/49/31/920234931.db2.gz SQVGIRWRNBIQED-UHFFFAOYSA-N 0 0 410.499 4.145 20 5 HIBDRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000511597778 920243736 /nfs/dbraw/zinc/24/37/36/920243736.db2.gz VPAKGTATJDUZCZ-UHFFFAOYSA-N 0 0 412.833 4.116 20 5 HIBDRN C[C@@H](Cc1ccccc1Br)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511600200 920246508 /nfs/dbraw/zinc/24/65/08/920246508.db2.gz SIUHZJGTIPFWHE-AWEZNQCLSA-N 0 0 420.307 4.172 20 5 HIBDRN Cc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1C1CCCCC1 ZINC000511600947 920247763 /nfs/dbraw/zinc/24/77/63/920247763.db2.gz XRRCOSBDBCETRW-UHFFFAOYSA-N 0 0 412.490 4.289 20 5 HIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000511620668 920277271 /nfs/dbraw/zinc/27/72/71/920277271.db2.gz RXCJXRIYBPWHSJ-UHFFFAOYSA-N 0 0 403.841 4.055 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000511701173 920365952 /nfs/dbraw/zinc/36/59/52/920365952.db2.gz JGTPNYMXENKMPV-AWEZNQCLSA-N 0 0 420.290 4.238 20 5 HIBDRN CC(=O)c1ccc(NC[C@@H]2CCN(c3cccc(Br)c3)C2)c([N+](=O)[O-])c1 ZINC000511728439 920394369 /nfs/dbraw/zinc/39/43/69/920394369.db2.gz GEXRUECVGVVYLE-AWEZNQCLSA-N 0 0 418.291 4.498 20 5 HIBDRN Cc1cccc([C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C(F)(F)F)c1 ZINC000511734767 920402865 /nfs/dbraw/zinc/40/28/65/920402865.db2.gz OYPBNYGQUXGIIF-KRWDZBQOSA-N 0 0 404.348 4.122 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000511755547 920435088 /nfs/dbraw/zinc/43/50/88/920435088.db2.gz LPQPXXBHYIQGEG-UHFFFAOYSA-N 0 0 415.471 4.026 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000511804109 920499567 /nfs/dbraw/zinc/49/95/67/920499567.db2.gz AYBJDQCAYCHKTC-UHFFFAOYSA-N 0 0 422.441 4.333 20 5 HIBDRN O=C(NCc1ccsc1Br)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000511849253 920571444 /nfs/dbraw/zinc/57/14/44/920571444.db2.gz DNZVMLFMYIBCPY-UHFFFAOYSA-N 0 0 404.673 4.072 20 5 HIBDRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000511921415 920666060 /nfs/dbraw/zinc/66/60/60/920666060.db2.gz HOFLTJJHHVREAS-VIFPVBQESA-N 0 0 408.785 4.307 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Br)c3cccnc23)ccc1[N+](=O)[O-] ZINC000511929788 920677813 /nfs/dbraw/zinc/67/78/13/920677813.db2.gz HMIUDXVMYTUARI-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN O=C(NCc1ccsc1Br)c1ccc(Br)cc1[N+](=O)[O-] ZINC000512022781 920798310 /nfs/dbraw/zinc/79/83/10/920798310.db2.gz HIJJGLIWHMUPPU-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN COc1ccc(OC)c(-c2csc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)n2)c1 ZINC000512077068 920842321 /nfs/dbraw/zinc/84/23/21/920842321.db2.gz OOWZUZCTKIDAPF-UHFFFAOYSA-N 0 0 424.438 4.469 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000512153628 920894525 /nfs/dbraw/zinc/89/45/25/920894525.db2.gz ULUJNJIZILVTKN-UHFFFAOYSA-N 0 0 400.450 4.368 20 5 HIBDRN C[C@H](NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000512157260 920897420 /nfs/dbraw/zinc/89/74/20/920897420.db2.gz CHAKNJACMXZWQI-NSHDSACASA-N 0 0 417.878 4.019 20 5 HIBDRN COc1ccc(-c2ccc(CN3CCO[C@H](c4cccs4)C3)o2)c([N+](=O)[O-])c1 ZINC000512210611 920956717 /nfs/dbraw/zinc/95/67/17/920956717.db2.gz GMIPXMPYQSYRHP-IBGZPJMESA-N 0 0 400.456 4.498 20 5 HIBDRN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000512219111 920968730 /nfs/dbraw/zinc/96/87/30/920968730.db2.gz XVWMAXIYABTDRD-RXVVDRJESA-N 0 0 423.513 4.095 20 5 HIBDRN O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000512219107 920969563 /nfs/dbraw/zinc/96/95/63/920969563.db2.gz XVWMAXIYABTDRD-GHTZIAJQSA-N 0 0 423.513 4.095 20 5 HIBDRN CC(C)c1ccc(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000512270715 921028089 /nfs/dbraw/zinc/02/80/89/921028089.db2.gz QCESBFNNBLEGAG-UHFFFAOYSA-N 0 0 420.531 4.023 20 5 HIBDRN Cc1ccc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)c(Br)c1 ZINC000512317407 921067732 /nfs/dbraw/zinc/06/77/32/921067732.db2.gz WDCKMLDGMJVWFT-UKTHLTGXSA-N 0 0 412.243 4.320 20 5 HIBDRN COc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1OCc1ccncc1 ZINC000512340945 921085767 /nfs/dbraw/zinc/08/57/67/921085767.db2.gz MUDQIAQATSQURO-UHFFFAOYSA-N 0 0 422.441 4.018 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000512363040 921104511 /nfs/dbraw/zinc/10/45/11/921104511.db2.gz OHIBJPPJYTTXFV-SFHVURJKSA-N 0 0 412.339 4.333 20 5 HIBDRN CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513480386 921836874 /nfs/dbraw/zinc/83/68/74/921836874.db2.gz BHUHGIMTKRIUDX-SFHVURJKSA-N 0 0 424.906 4.121 20 5 HIBDRN CCCCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000513488129 921841137 /nfs/dbraw/zinc/84/11/37/921841137.db2.gz PSKJYLVGVZOZTN-OAHLLOKOSA-N 0 0 404.488 4.002 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000513509703 921857839 /nfs/dbraw/zinc/85/78/39/921857839.db2.gz VEACJEGXVHOJJD-JTDSTZFVSA-N 0 0 401.850 4.285 20 5 HIBDRN O=C(Cc1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1)Nc1ccccc1Cl ZINC000513619043 921948050 /nfs/dbraw/zinc/94/80/50/921948050.db2.gz KCNKWAHTGAEYMD-UHFFFAOYSA-N 0 0 424.747 4.081 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2cc(C(F)(F)F)ccc2=O)cc1OC ZINC000513624200 921950891 /nfs/dbraw/zinc/95/08/91/921950891.db2.gz JAMZCJBYASZUKW-GFCCVEGCSA-N 0 0 414.380 4.257 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000513653681 921974485 /nfs/dbraw/zinc/97/44/85/921974485.db2.gz FIFXNJHRKHVAKS-HNNXBMFYSA-N 0 0 407.293 4.032 20 5 HIBDRN O=C(NCCOc1cccc2ccccc21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513657811 921979288 /nfs/dbraw/zinc/97/92/88/921979288.db2.gz LFKRMVWVGRLIMD-UHFFFAOYSA-N 0 0 402.353 4.158 20 5 HIBDRN C[C@H](COc1ccc(C(C)(C)C)cc1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000513703578 922024224 /nfs/dbraw/zinc/02/42/24/922024224.db2.gz XOIPESXBVRQVEH-CQSZACIVSA-N 0 0 406.504 4.175 20 5 HIBDRN O=C(NCCCSc1ccc(F)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513723558 922043291 /nfs/dbraw/zinc/04/32/91/922043291.db2.gz FQOUQGSOLCGUNW-UHFFFAOYSA-N 0 0 400.378 4.248 20 5 HIBDRN CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000513745522 922067197 /nfs/dbraw/zinc/06/71/97/922067197.db2.gz ACGLRYRNRLHJMB-UHFFFAOYSA-N 0 0 424.526 4.442 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2c[nH]nc2-c2ccccc2F)cc1[N+](=O)[O-] ZINC000513787755 922114599 /nfs/dbraw/zinc/11/45/99/922114599.db2.gz DZXUYEUNFIBSMC-UHFFFAOYSA-N 0 0 419.210 4.447 20 5 HIBDRN O=C(Nc1c[nH]nc1-c1ccccc1F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000513793474 922120794 /nfs/dbraw/zinc/12/07/94/922120794.db2.gz YSSSLOXIIAEUPR-UHFFFAOYSA-N 0 0 405.183 4.139 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000513815653 922140273 /nfs/dbraw/zinc/14/02/73/922140273.db2.gz YKYLOVHKLCAYEV-CQSZACIVSA-N 0 0 404.488 4.031 20 5 HIBDRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000513832228 922159971 /nfs/dbraw/zinc/15/99/71/922159971.db2.gz FVPSKSYPXBYIJX-UHFFFAOYSA-N 0 0 400.504 4.306 20 5 HIBDRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000513836443 922163384 /nfs/dbraw/zinc/16/33/84/922163384.db2.gz IAAQABYMWUQHAR-UHFFFAOYSA-N 0 0 413.380 4.440 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc(Cl)c(OC)c(Cl)c2)cc1[N+](=O)[O-] ZINC000513974704 922294550 /nfs/dbraw/zinc/29/45/50/922294550.db2.gz RJOXSXKCLOLUAH-UHFFFAOYSA-N 0 0 400.218 4.241 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2c[nH]nc2-c2ccccc2F)cc1[N+](=O)[O-] ZINC000514060566 922384416 /nfs/dbraw/zinc/38/44/16/922384416.db2.gz OJNGZMSQHGDKOC-UHFFFAOYSA-N 0 0 416.434 4.005 20 5 HIBDRN COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514121405 922453602 /nfs/dbraw/zinc/45/36/02/922453602.db2.gz VVRFMDOBZFHHSH-UHFFFAOYSA-N 0 0 400.765 4.130 20 5 HIBDRN Cc1ccc(F)cc1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000514144483 922479881 /nfs/dbraw/zinc/47/98/81/922479881.db2.gz PQRYUCZIIRYIKE-UHFFFAOYSA-N 0 0 406.369 4.095 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(OC)c1 ZINC000514147416 922481424 /nfs/dbraw/zinc/48/14/24/922481424.db2.gz LICLYFXKHXNXLI-HNNXBMFYSA-N 0 0 422.384 4.191 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000514155568 922493202 /nfs/dbraw/zinc/49/32/02/922493202.db2.gz IRBBOGAXWLBIPW-OAHLLOKOSA-N 0 0 422.384 4.191 20 5 HIBDRN CCOC(=O)c1ccccc1N(CC)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514189126 922529394 /nfs/dbraw/zinc/52/93/94/922529394.db2.gz JXEWHRPPHVUQLQ-UHFFFAOYSA-N 0 0 408.357 4.040 20 5 HIBDRN O=C(NC[C@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1)c1ccco1 ZINC000514201738 922539296 /nfs/dbraw/zinc/53/92/96/922539296.db2.gz LOXIVAKPUGYNEB-QGZVFWFLSA-N 0 0 413.477 4.263 20 5 HIBDRN CN(C)c1cccc([C@H]2CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000514218718 922552414 /nfs/dbraw/zinc/55/24/14/922552414.db2.gz NZMZMWORBMBRGG-MRXNPFEDSA-N 0 0 405.401 4.240 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC000514484312 922641056 /nfs/dbraw/zinc/64/10/56/922641056.db2.gz INKICAAWWBABGC-VGSWGCGISA-N 0 0 409.486 4.045 20 5 HIBDRN C[C@@H](Sc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000514493830 922646412 /nfs/dbraw/zinc/64/64/12/922646412.db2.gz PHRTXLRMYJVFDK-CRAIPNDOSA-N 0 0 417.535 4.209 20 5 HIBDRN Cc1c(NC(=O)N(C)CCOc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000514506069 922658259 /nfs/dbraw/zinc/65/82/59/922658259.db2.gz IZSLKBUXPSTVEQ-UHFFFAOYSA-N 0 0 408.252 4.208 20 5 HIBDRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 ZINC000514569107 922706284 /nfs/dbraw/zinc/70/62/84/922706284.db2.gz VMETXVRNLYHFBW-UHFFFAOYSA-N 0 0 424.478 4.438 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 ZINC000514620482 922726933 /nfs/dbraw/zinc/72/69/33/922726933.db2.gz WWKKFWRBQYURBN-UHFFFAOYSA-N 0 0 405.454 4.488 20 5 HIBDRN COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000514693128 922760525 /nfs/dbraw/zinc/76/05/25/922760525.db2.gz UWROPCXWZSXEFI-GFCCVEGCSA-N 0 0 414.443 4.081 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(C(Cc3ccccc3)Cc3ccccc3)n2)n1C ZINC000514891471 922835587 /nfs/dbraw/zinc/83/55/87/922835587.db2.gz ZEZXVLTUKIWODG-UHFFFAOYSA-N 0 0 403.442 4.256 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000514902134 922840369 /nfs/dbraw/zinc/84/03/69/922840369.db2.gz FMQZJYBDIXTYCA-UHFFFAOYSA-N 0 0 419.466 4.176 20 5 HIBDRN COC(=O)c1ccccc1N(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000514982604 922866846 /nfs/dbraw/zinc/86/68/46/922866846.db2.gz ZSXQBBTZPTVLDV-UHFFFAOYSA-N 0 0 419.437 4.270 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cc([N+](=O)[O-])c1 ZINC000515076702 922895068 /nfs/dbraw/zinc/89/50/68/922895068.db2.gz ZQIJABWYLCZRON-ORAYPTAESA-N 0 0 412.442 4.293 20 5 HIBDRN CN(Cc1cc(Br)cs1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000515161380 922963048 /nfs/dbraw/zinc/96/30/48/922963048.db2.gz LQTWUAYBHCOSFH-UHFFFAOYSA-N 0 0 410.293 4.265 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c(C)c1OC ZINC000515228306 923005492 /nfs/dbraw/zinc/00/54/92/923005492.db2.gz NHQQMOHRTYBTRL-NSHDSACASA-N 0 0 412.364 4.430 20 5 HIBDRN O=[N+]([O-])c1ccc(CCSc2n[nH]c(-c3ccccc3Br)n2)cc1 ZINC000515288969 923036010 /nfs/dbraw/zinc/03/60/10/923036010.db2.gz HQUDNLSOCFLAPA-UHFFFAOYSA-N 0 0 405.277 4.477 20 5 HIBDRN CC(C)Cc1nnc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000515321140 923049117 /nfs/dbraw/zinc/04/91/17/923049117.db2.gz JFCDJBLXLWUBJN-CYBMUJFWSA-N 0 0 403.508 4.133 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCCOc2ccc(Cl)cc2)cc1OC ZINC000515446566 923106936 /nfs/dbraw/zinc/10/69/36/923106936.db2.gz ZRXRUJQTZLUFBB-UHFFFAOYSA-N 0 0 422.865 4.197 20 5 HIBDRN CCCOc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1Cl ZINC000515447828 923108354 /nfs/dbraw/zinc/10/83/54/923108354.db2.gz HNIKZDHHLOLJNN-UHFFFAOYSA-N 0 0 400.822 4.475 20 5 HIBDRN COc1ccc(CCCNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000515458011 923116846 /nfs/dbraw/zinc/11/68/46/923116846.db2.gz YOEZWAZMEPAWNB-QGZVFWFLSA-N 0 0 411.502 4.202 20 5 HIBDRN C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000515475402 923124482 /nfs/dbraw/zinc/12/44/82/923124482.db2.gz VVHLXKKCEZONNB-MRXNPFEDSA-N 0 0 407.426 4.428 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000515556329 923173791 /nfs/dbraw/zinc/17/37/91/923173791.db2.gz JOXCMHILJSEGAC-UHFFFAOYSA-N 0 0 403.866 4.450 20 5 HIBDRN C[C@H](c1nc(C2(NC(=O)c3ccccc3)CCCC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000515556960 923174285 /nfs/dbraw/zinc/17/42/85/923174285.db2.gz PJKDGYBZUAZBME-AWEZNQCLSA-N 0 0 424.432 4.468 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000515578755 923194925 /nfs/dbraw/zinc/19/49/25/923194925.db2.gz JKBSVJLUDLGBHQ-UHFFFAOYSA-N 0 0 419.456 4.281 20 5 HIBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N(c1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000515598961 923208856 /nfs/dbraw/zinc/20/88/56/923208856.db2.gz QZLUUULOOCLOMZ-UHFFFAOYSA-N 0 0 413.846 4.419 20 5 HIBDRN COc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)cc1[N+](=O)[O-] ZINC000515701084 923283624 /nfs/dbraw/zinc/28/36/24/923283624.db2.gz KEPWGZFSJAAFAG-UHFFFAOYSA-N 0 0 421.457 4.149 20 5 HIBDRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)C2)c1 ZINC000515717975 923300647 /nfs/dbraw/zinc/30/06/47/923300647.db2.gz IYMIAFFSGWNKCY-QGZVFWFLSA-N 0 0 410.474 4.403 20 5 HIBDRN COc1ccc(CNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000515729449 923309450 /nfs/dbraw/zinc/30/94/50/923309450.db2.gz URWFXPNVRGDQJE-UHFFFAOYSA-N 0 0 411.458 4.052 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000515758067 923330736 /nfs/dbraw/zinc/33/07/36/923330736.db2.gz XQONETRDDXTXOX-UHFFFAOYSA-N 0 0 401.271 4.255 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)n2)cc1[N+](=O)[O-] ZINC000515819246 923373775 /nfs/dbraw/zinc/37/37/75/923373775.db2.gz LFRZRQRVJMDPBY-UHFFFAOYSA-N 0 0 423.454 4.023 20 5 HIBDRN CCc1noc2ncc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)cc12 ZINC000516052584 923521363 /nfs/dbraw/zinc/52/13/63/923521363.db2.gz DUPJUEXFZYWJOH-UHFFFAOYSA-N 0 0 416.393 4.177 20 5 HIBDRN O=C(CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCc1cc[nH]n1 ZINC000516105565 923546083 /nfs/dbraw/zinc/54/60/83/923546083.db2.gz SIZOMJBYYOQJCW-RVDMUPIBSA-N 0 0 419.466 4.175 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3c3ccccn3)cc2[N+](=O)[O-])C1 ZINC000516202229 923595943 /nfs/dbraw/zinc/59/59/43/923595943.db2.gz JUQDFRJQCDEJMT-QKLQHJQFSA-N 0 0 408.502 4.449 20 5 HIBDRN C[C@@H](NC(=O)N[C@@H](C)COc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000516228106 923615452 /nfs/dbraw/zinc/61/54/52/923615452.db2.gz CWLYSSKNTPBTGA-QWHCGFSZSA-N 0 0 411.380 4.441 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)Nc1ccc(OC(F)F)cc1 ZINC000516271782 923640045 /nfs/dbraw/zinc/64/00/45/923640045.db2.gz CUYLAZVHQGHBQD-UHFFFAOYSA-N 0 0 406.263 4.233 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1CC1 ZINC000516316369 923660795 /nfs/dbraw/zinc/66/07/95/923660795.db2.gz SZHUMTUXBSFJCV-LBPRGKRZSA-N 0 0 422.890 4.018 20 5 HIBDRN CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000516339178 923675041 /nfs/dbraw/zinc/67/50/41/923675041.db2.gz QTDVALYAPOWXHE-UHFFFAOYSA-N 0 0 414.336 4.282 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000516342096 923676882 /nfs/dbraw/zinc/67/68/82/923676882.db2.gz NQNPEZANJSNFPE-AWEZNQCLSA-N 0 0 423.903 4.384 20 5 HIBDRN CCOc1ccccc1C(=O)N1CCC[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000516342942 923677289 /nfs/dbraw/zinc/67/72/89/923677289.db2.gz FFLNEBGXNAWESR-KRWDZBQOSA-N 0 0 408.414 4.021 20 5 HIBDRN COc1ccc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccc(F)cc2)cc1 ZINC000516367596 923695802 /nfs/dbraw/zinc/69/58/02/923695802.db2.gz TZVFEMZUFYFZCL-QHCPKHFHSA-N 0 0 423.444 4.369 20 5 HIBDRN 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ZINC000518448977 927281593 /nfs/dbraw/zinc/28/15/93/927281593.db2.gz SWYBQSGTACTNAA-HNNXBMFYSA-N 0 0 424.432 4.111 20 5 HIBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(-c2cccs2)c1 ZINC000518658496 927411814 /nfs/dbraw/zinc/41/18/14/927411814.db2.gz ZFPCYYRNXKQTKF-UHFFFAOYSA-N 0 0 415.858 4.345 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000518661524 927412621 /nfs/dbraw/zinc/41/26/21/927412621.db2.gz KHSCXZMGIZLGHC-DNVCBOLYSA-N 0 0 424.906 4.003 20 5 HIBDRN C[C@H](C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1)c1cccc([N+](=O)[O-])c1 ZINC000518664174 927415881 /nfs/dbraw/zinc/41/58/81/927415881.db2.gz FWVPMNUNIRMSHH-NSHDSACASA-N 0 0 402.863 4.433 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000518727080 927458273 /nfs/dbraw/zinc/45/82/73/927458273.db2.gz JMYMRFHWMRKGPO-UHFFFAOYSA-N 0 0 417.828 4.073 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000518748571 927473652 /nfs/dbraw/zinc/47/36/52/927473652.db2.gz APRBZLWJLFLKIT-UHFFFAOYSA-N 0 0 421.478 4.215 20 5 HIBDRN Cn1c2ccc(Cl)cc2nc1S[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000518789120 927493436 /nfs/dbraw/zinc/49/34/36/927493436.db2.gz BOSBTRFUMFPYTM-INIZCTEOSA-N 0 0 402.863 4.033 20 5 HIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000518803797 927502519 /nfs/dbraw/zinc/50/25/19/927502519.db2.gz GMFQSCMIMYYDPN-MRXNPFEDSA-N 0 0 417.195 4.394 20 5 HIBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCc1ccccc1OCc1ccccc1 ZINC000518827905 927525765 /nfs/dbraw/zinc/52/57/65/927525765.db2.gz WCRLLXSPJCIFMN-UHFFFAOYSA-N 0 0 421.453 4.052 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000518883968 927596544 /nfs/dbraw/zinc/59/65/44/927596544.db2.gz JNLQJMOKWGCXRS-GJZGRUSLSA-N 0 0 406.866 4.300 20 5 HIBDRN COCCOc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1 ZINC000518905149 927615182 /nfs/dbraw/zinc/61/51/82/927615182.db2.gz HAFPSJOAXZMQEW-UHFFFAOYSA-N 0 0 413.455 4.304 20 5 HIBDRN COc1ccccc1Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000518910027 927618545 /nfs/dbraw/zinc/61/85/45/927618545.db2.gz UPXIAXNZBSVSSB-UHFFFAOYSA-N 0 0 408.410 4.334 20 5 HIBDRN CCN(c1cccc(Br)c1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000518969105 927664624 /nfs/dbraw/zinc/66/46/24/927664624.db2.gz ZIURVTDDYCZTCV-UHFFFAOYSA-N 0 0 419.684 4.226 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000519005233 927686615 /nfs/dbraw/zinc/68/66/15/927686615.db2.gz NCZNFHALRZASFB-XMMPIXPASA-N 0 0 401.466 4.489 20 5 HIBDRN Cc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n(-c2ccccc2F)n1 ZINC000519074367 927752203 /nfs/dbraw/zinc/75/22/03/927752203.db2.gz IJBOPGMQPMPESX-UHFFFAOYSA-N 0 0 423.448 4.083 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C ZINC000519092129 927764759 /nfs/dbraw/zinc/76/47/59/927764759.db2.gz IQGJMIFYVAEJKB-HNNXBMFYSA-N 0 0 411.458 4.179 20 5 HIBDRN COc1cc(OCC(=O)Nc2ccc3nc(C(C)C)sc3c2)ccc1[N+](=O)[O-] ZINC000519097816 927767615 /nfs/dbraw/zinc/76/76/15/927767615.db2.gz SUDDGHNKABPVIR-UHFFFAOYSA-N 0 0 401.444 4.354 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000519158257 927806428 /nfs/dbraw/zinc/80/64/28/927806428.db2.gz FVHBMADWWDOIEM-UHFFFAOYSA-N 0 0 419.275 4.101 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NCCc3ccc4ccccc4n3)cc2[N+](=O)[O-])CC1 ZINC000519205696 927827580 /nfs/dbraw/zinc/82/75/80/927827580.db2.gz MQEULBHJLDZKAG-UHFFFAOYSA-N 0 0 418.497 4.352 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000519782673 928073718 /nfs/dbraw/zinc/07/37/18/928073718.db2.gz VFDMCYYMIWGODL-IXDOHACOSA-N 0 0 403.276 4.366 20 5 HIBDRN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000519784875 928075249 /nfs/dbraw/zinc/07/52/49/928075249.db2.gz NCKCJBMDYIDMOF-ADLMAVQZSA-N 0 0 410.804 4.058 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000519950955 928182818 /nfs/dbraw/zinc/18/28/18/928182818.db2.gz QLJMCICTXORDSO-GOSISDBHSA-N 0 0 406.442 4.368 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc1[N+](=O)[O-] ZINC000520010516 928234416 /nfs/dbraw/zinc/23/44/16/928234416.db2.gz DHVVSDRHQDLWNQ-HNNXBMFYSA-N 0 0 411.458 4.179 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000520027765 928250711 /nfs/dbraw/zinc/25/07/11/928250711.db2.gz HUSZEVJGDUTNRQ-UHFFFAOYSA-N 0 0 422.812 4.396 20 5 HIBDRN Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccncc1 ZINC000520031200 928254555 /nfs/dbraw/zinc/25/45/55/928254555.db2.gz YCBYZMFWNQURNT-UHFFFAOYSA-N 0 0 422.466 4.281 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000520070919 928293490 /nfs/dbraw/zinc/29/34/90/928293490.db2.gz IFBUCJWJGXXXGP-SFHVURJKSA-N 0 0 419.840 4.374 20 5 HIBDRN Cc1c([C@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cnn1-c1ccc(F)cc1 ZINC000520100695 928310985 /nfs/dbraw/zinc/31/09/85/928310985.db2.gz KBVTXBGQZPKEBB-AWEZNQCLSA-N 0 0 421.432 4.060 20 5 HIBDRN CCN(c1ccc(Br)cc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000520148277 928341894 /nfs/dbraw/zinc/34/18/94/928341894.db2.gz ZKNBUXFEKWORMP-UHFFFAOYSA-N 0 0 419.684 4.226 20 5 HIBDRN COC(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000520152203 928344221 /nfs/dbraw/zinc/34/42/21/928344221.db2.gz KVCXBQSDVUJPJR-UHFFFAOYSA-N 0 0 422.412 4.363 20 5 HIBDRN COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC000520151001 928344552 /nfs/dbraw/zinc/34/45/52/928344552.db2.gz IFUISEZPVWXHNW-UHFFFAOYSA-N 0 0 404.444 4.143 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1ccc(F)cc1F ZINC000520152626 928346287 /nfs/dbraw/zinc/34/62/87/928346287.db2.gz PBPZQIPZFGNIIT-UHFFFAOYSA-N 0 0 419.409 4.286 20 5 HIBDRN CC(C)CN(Cc1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000520155007 928346938 /nfs/dbraw/zinc/34/69/38/928346938.db2.gz LDTUHMCHVMCAIP-UHFFFAOYSA-N 0 0 400.859 4.234 20 5 HIBDRN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000520227419 928401786 /nfs/dbraw/zinc/40/17/86/928401786.db2.gz ZQDQGNGPYKIHBF-LBPRGKRZSA-N 0 0 419.363 4.028 20 5 HIBDRN CCOc1ccc(-c2nc(-c3ccc(OC(F)F)c(OC)c3)no2)cc1[N+](=O)[O-] ZINC000520273768 928439174 /nfs/dbraw/zinc/43/91/74/928439174.db2.gz FPCGZFSEGUOCNN-UHFFFAOYSA-N 0 0 407.329 4.321 20 5 HIBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000520288053 928450038 /nfs/dbraw/zinc/45/00/38/928450038.db2.gz WUZVQAQZVGVSEB-KRWDZBQOSA-N 0 0 412.471 4.130 20 5 HIBDRN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc2c1 ZINC000520309580 928472144 /nfs/dbraw/zinc/47/21/44/928472144.db2.gz VGWPBSZZHFFMRD-HXUWFJFHSA-N 0 0 419.485 4.357 20 5 HIBDRN NS(=O)(=O)c1c(NCc2ccccc2Sc2ccccc2)cccc1[N+](=O)[O-] ZINC000520335532 928500616 /nfs/dbraw/zinc/50/06/16/928500616.db2.gz OAYRCZBXMMVVFA-UHFFFAOYSA-N 0 0 415.496 4.006 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000520385804 928538093 /nfs/dbraw/zinc/53/80/93/928538093.db2.gz ZGUWNNMJAJOCDN-LBPRGKRZSA-N 0 0 424.835 4.313 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000520390655 928542994 /nfs/dbraw/zinc/54/29/94/928542994.db2.gz GKSWRLDQYMIPNZ-JLTOFOAXSA-N 0 0 411.845 4.316 20 5 HIBDRN CC[C@H](C)[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 ZINC000520521177 928615523 /nfs/dbraw/zinc/61/55/23/928615523.db2.gz AWKTXMAVXSHINE-WDEREUQCSA-N 0 0 416.259 4.239 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000520528289 928620881 /nfs/dbraw/zinc/62/08/81/928620881.db2.gz YWNWGJSVFRZPEQ-FVMDXXJSSA-N 0 0 422.304 4.274 20 5 HIBDRN COc1cc(OCC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)ccc1[N+](=O)[O-] ZINC000520543102 928632347 /nfs/dbraw/zinc/63/23/47/928632347.db2.gz XWICRXHZWMTFPH-UHFFFAOYSA-N 0 0 424.375 4.192 20 5 HIBDRN COc1cc(OCC(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000520566738 928645039 /nfs/dbraw/zinc/64/50/39/928645039.db2.gz HCDMIJUEKCATCR-KRWDZBQOSA-N 0 0 420.465 4.319 20 5 HIBDRN COCCOc1c(Cl)cccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000520681486 928729121 /nfs/dbraw/zinc/72/91/21/928729121.db2.gz WALUGICBXSBVCW-LBPRGKRZSA-N 0 0 410.879 4.393 20 5 HIBDRN Cc1c(C(=O)Nc2ccc3nc(C(C)C)sc3c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000520694067 928740646 /nfs/dbraw/zinc/74/06/46/928740646.db2.gz VXFYFPGJTUZAQO-UHFFFAOYSA-N 0 0 422.470 4.469 20 5 HIBDRN C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)o1 ZINC000520710811 928759460 /nfs/dbraw/zinc/75/94/60/928759460.db2.gz UYOSLYKVMYMQEK-IFXJQAMLSA-N 0 0 406.442 4.302 20 5 HIBDRN Cc1ccccc1Oc1ccccc1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520726890 928776348 /nfs/dbraw/zinc/77/63/48/928776348.db2.gz AIOVRMGQFNWSJS-UHFFFAOYSA-N 0 0 420.421 4.397 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1NC(=O)Cc1cccs1 ZINC000520764422 928806756 /nfs/dbraw/zinc/80/67/56/928806756.db2.gz YCVOXLJELZTDRP-UHFFFAOYSA-N 0 0 424.482 4.197 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]3c3cc[nH]n3)cc2[N+](=O)[O-])n1 ZINC000520857147 928846565 /nfs/dbraw/zinc/84/65/65/928846565.db2.gz JHYFWYJYOUEVIP-CQSZACIVSA-N 0 0 415.500 4.211 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1cscn1)c1ccccc1 ZINC000520861827 928849118 /nfs/dbraw/zinc/84/91/18/928849118.db2.gz FYCYSRZOGZYKTP-UHFFFAOYSA-N 0 0 403.485 4.009 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000520867727 928852667 /nfs/dbraw/zinc/85/26/67/928852667.db2.gz LLWSZUIBRFGNIW-LBPRGKRZSA-N 0 0 416.384 4.334 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(Cc2cscn2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000520873942 928854669 /nfs/dbraw/zinc/85/46/69/928854669.db2.gz SFCOZNDJLFGGKO-UHFFFAOYSA-N 0 0 411.439 4.075 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(-c3ncc(C)o3)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000520913671 928871354 /nfs/dbraw/zinc/87/13/54/928871354.db2.gz QBZQQSSAZIBLAV-UHFFFAOYSA-N 0 0 419.340 4.421 20 5 HIBDRN COc1c(Br)cc(Cl)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520971709 928897041 /nfs/dbraw/zinc/89/70/41/928897041.db2.gz VRCSULACYREEGC-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN Cc1sc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)nc1-c1ccc(C)cc1 ZINC000520973137 928897527 /nfs/dbraw/zinc/89/75/27/928897527.db2.gz KUUJFCQNWOUNOR-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cn2cnc3ccccc32)cc1 ZINC000521018728 928936806 /nfs/dbraw/zinc/93/68/06/928936806.db2.gz VQCUIDOQJBWZFF-UHFFFAOYSA-N 0 0 422.466 4.102 20 5 HIBDRN O=C(Nc1ccccc1NCC(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521036848 928951550 /nfs/dbraw/zinc/95/15/50/928951550.db2.gz HVPRMVREOQCKTB-UHFFFAOYSA-N 0 0 405.336 4.007 20 5 HIBDRN COc1ccc(Cc2nc(-c3cccnc3Oc3ccccc3)no2)cc1[N+](=O)[O-] ZINC000521036695 928951944 /nfs/dbraw/zinc/95/19/44/928951944.db2.gz VMDOPTHSWLHBSL-UHFFFAOYSA-N 0 0 404.382 4.432 20 5 HIBDRN COc1ccc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000521083842 928982735 /nfs/dbraw/zinc/98/27/35/928982735.db2.gz YIHMVPPEHOAXRA-RPWUZVMVSA-N 0 0 424.497 4.326 20 5 HIBDRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000521133326 929015800 /nfs/dbraw/zinc/01/58/00/929015800.db2.gz NMKDAEPUQJQWSB-PBHICJAKSA-N 0 0 410.449 4.345 20 5 HIBDRN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000521133327 929015987 /nfs/dbraw/zinc/01/59/87/929015987.db2.gz NMKDAEPUQJQWSB-RHSMWYFYSA-N 0 0 410.449 4.345 20 5 HIBDRN CCN(Cc1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000521191543 929052397 /nfs/dbraw/zinc/05/23/97/929052397.db2.gz WCIGZVOKHUHITG-UHFFFAOYSA-N 0 0 408.252 4.420 20 5 HIBDRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC000521242662 929075708 /nfs/dbraw/zinc/07/57/08/929075708.db2.gz RAGRKQZOARUXKW-SFHVURJKSA-N 0 0 416.499 4.147 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000521249440 929081497 /nfs/dbraw/zinc/08/14/97/929081497.db2.gz XNPACBSYYKGWPT-IAQYHMDHSA-N 0 0 408.813 4.185 20 5 HIBDRN Cc1ccc(NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000521264701 929088458 /nfs/dbraw/zinc/08/84/58/929088458.db2.gz ISOIKPIZGMDLIP-UHFFFAOYSA-N 0 0 410.451 4.129 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@H]3[C@H]3CCCO3)n2Cc2ccccc2)cc1 ZINC000521323828 929135979 /nfs/dbraw/zinc/13/59/79/929135979.db2.gz WYFHYXDGIZNSMV-NHCUHLMSSA-N 0 0 419.485 4.049 20 5 HIBDRN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000521359536 929180334 /nfs/dbraw/zinc/18/03/34/929180334.db2.gz HZNJQYHIAKHBDF-FQEVSTJZSA-N 0 0 419.485 4.466 20 5 HIBDRN CCc1nc([C@H](C)NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cs1 ZINC000521363364 929184416 /nfs/dbraw/zinc/18/44/16/929184416.db2.gz KONXBDNMEKUBEY-KBPBESRZSA-N 0 0 402.520 4.341 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000521490814 929249599 /nfs/dbraw/zinc/24/95/99/929249599.db2.gz CBFLOUZPCZSTHF-BBRMVZONSA-N 0 0 402.520 4.477 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000521494240 929250598 /nfs/dbraw/zinc/25/05/98/929250598.db2.gz KZGJVVQWHTYQKZ-MRXNPFEDSA-N 0 0 417.469 4.363 20 5 HIBDRN COc1ccc(CSCc2csc(-c3ccc(C(N)=O)cc3)n2)cc1[N+](=O)[O-] ZINC000521541175 929284933 /nfs/dbraw/zinc/28/49/33/929284933.db2.gz MSCMSNGSIFASCO-UHFFFAOYSA-N 0 0 415.496 4.259 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NCc2nnc(-c3ccc(F)cc3)[nH]2)c([N+](=O)[O-])c1 ZINC000521542363 929285366 /nfs/dbraw/zinc/28/53/66/929285366.db2.gz JZVGIQDBAGZRNO-UHFFFAOYSA-N 0 0 417.400 4.362 20 5 HIBDRN COC(=O)c1ccc(CSCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000521558494 929296368 /nfs/dbraw/zinc/29/63/68/929296368.db2.gz HPARORFCEYBYEU-UHFFFAOYSA-N 0 0 413.398 4.425 20 5 HIBDRN CCC[C@]1(CO)CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000521675461 929360672 /nfs/dbraw/zinc/36/06/72/929360672.db2.gz IVONOEXMEKHGGN-GMAHTHKFSA-N 0 0 411.502 4.068 20 5 HIBDRN Cc1n[nH]c(C(=O)N[C@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)c1[N+](=O)[O-] ZINC000521728012 929393713 /nfs/dbraw/zinc/39/37/13/929393713.db2.gz ZIHQHFGKMKPITH-MRXNPFEDSA-N 0 0 402.813 4.247 20 5 HIBDRN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000521735086 929396625 /nfs/dbraw/zinc/39/66/25/929396625.db2.gz XRHKAZFYUXUYKT-GOSISDBHSA-N 0 0 415.471 4.001 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccco1)c1ccc(F)cc1C ZINC000521748908 929409011 /nfs/dbraw/zinc/40/90/11/929409011.db2.gz HWIFXKZDDYSREV-UHFFFAOYSA-N 0 0 404.419 4.339 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)cc1OC ZINC000521754687 929417716 /nfs/dbraw/zinc/41/77/16/929417716.db2.gz CHNCBWHTBNOLSM-UHFFFAOYSA-N 0 0 424.438 4.469 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)Nc3ccnc4ccnn43)cc2[N+](=O)[O-])cc1 ZINC000521765504 929427577 /nfs/dbraw/zinc/42/75/77/929427577.db2.gz XHPROJPKUVJYME-UHFFFAOYSA-N 0 0 405.439 4.349 20 5 HIBDRN O=C(c1ccc(F)cc1)c1ccc(O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000521839375 929491432 /nfs/dbraw/zinc/49/14/32/929491432.db2.gz WSAITQJKQWKPGB-NRFANRHFSA-N 0 0 420.396 4.149 20 5 HIBDRN COc1ccc2c(c1)CCN2C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000521846639 929497395 /nfs/dbraw/zinc/49/73/95/929497395.db2.gz VZDCDESMGIXORM-UHFFFAOYSA-N 0 0 409.364 4.014 20 5 HIBDRN COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 ZINC000521852167 929501943 /nfs/dbraw/zinc/50/19/43/929501943.db2.gz CXAFCCYSUKLKER-SFHVURJKSA-N 0 0 423.494 4.463 20 5 HIBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Br ZINC000521857977 929508973 /nfs/dbraw/zinc/50/89/73/929508973.db2.gz MEFSSLUFKOYBNW-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN Cc1cc(NC(=O)Cc2ccccc2Br)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521936231 929576370 /nfs/dbraw/zinc/57/63/70/929576370.db2.gz XLOVBMADCVEIJO-UHFFFAOYSA-N 0 0 415.247 4.033 20 5 HIBDRN CCOc1cc(NC(=O)NCC(C)(C)Oc2ccccc2)c([N+](=O)[O-])cc1OCC ZINC000524481017 929630917 /nfs/dbraw/zinc/63/09/17/929630917.db2.gz FGFJCSLMFJNORG-UHFFFAOYSA-N 0 0 417.462 4.371 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NCCNc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000524494565 929643568 /nfs/dbraw/zinc/64/35/68/929643568.db2.gz IKMSLUQQZJROTH-UHFFFAOYSA-N 0 0 415.453 4.237 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000524506769 929655486 /nfs/dbraw/zinc/65/54/86/929655486.db2.gz BMAUEYDCSUAITG-KRWDZBQOSA-N 0 0 423.450 4.424 20 5 HIBDRN CCc1ccc(OCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000524535112 929670535 /nfs/dbraw/zinc/67/05/35/929670535.db2.gz PUCZXVMUXIHOTQ-GFCCVEGCSA-N 0 0 412.364 4.312 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000524544775 929675166 /nfs/dbraw/zinc/67/51/66/929675166.db2.gz DKCMVJYXZUHGSH-SSEXGKCCSA-N 0 0 424.478 4.310 20 5 HIBDRN COc1ccc(CCN(CC(C)C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000524550939 929680307 /nfs/dbraw/zinc/68/03/07/929680307.db2.gz OAQGBWBLFSGFPI-UHFFFAOYSA-N 0 0 401.463 4.345 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000524557921 929687307 /nfs/dbraw/zinc/68/73/07/929687307.db2.gz BGOFZMQNONIKLH-GOSISDBHSA-N 0 0 401.850 4.153 20 5 HIBDRN CC(C)(C(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000524603800 929714284 /nfs/dbraw/zinc/71/42/84/929714284.db2.gz CXTWFQWHQSAHTE-UHFFFAOYSA-N 0 0 401.850 4.291 20 5 HIBDRN CC(C)CNC(=O)c1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000524609817 929720187 /nfs/dbraw/zinc/72/01/87/929720187.db2.gz LLJBDJCUGMQOJY-UHFFFAOYSA-N 0 0 412.490 4.125 20 5 HIBDRN CCOc1ccccc1OCCCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000524652630 929765334 /nfs/dbraw/zinc/76/53/34/929765334.db2.gz WMDXFBDLOOTCOZ-NRFANRHFSA-N 0 0 416.499 4.427 20 5 HIBDRN COc1cc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1OCCC(C)C ZINC000524663581 929779390 /nfs/dbraw/zinc/77/93/90/929779390.db2.gz ZSHUVLNRXJJWMQ-INIZCTEOSA-N 0 0 400.475 4.448 20 5 HIBDRN COc1ccc(CC(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)cc1[N+](=O)[O-] ZINC000524699673 929803978 /nfs/dbraw/zinc/80/39/78/929803978.db2.gz XCVVSQYXDBXXJX-UHFFFAOYSA-N 0 0 421.453 4.266 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)c(Br)c1 ZINC000524769221 929823521 /nfs/dbraw/zinc/82/35/21/929823521.db2.gz AZZZRCKCKWXXQO-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN Cc1ccc(NCCCNC(=O)N2CCCCC[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000524805039 929836309 /nfs/dbraw/zinc/83/63/09/929836309.db2.gz PXSIDIGBYIAFAC-HXUWFJFHSA-N 0 0 411.506 4.427 20 5 HIBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000524842354 929854348 /nfs/dbraw/zinc/85/43/48/929854348.db2.gz AAVMSDAGUIQVQL-HOTGVXAUSA-N 0 0 403.504 4.045 20 5 HIBDRN O=C(N[C@H](COCc1ccccc1)c1ccccc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000524846332 929855574 /nfs/dbraw/zinc/85/55/74/929855574.db2.gz MEPURZPZDOHXCC-OAQYLSRUSA-N 0 0 416.437 4.159 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](Cc2ccccc2)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000524847165 929855787 /nfs/dbraw/zinc/85/57/87/929855787.db2.gz SOZATPZVWNYESC-HXUWFJFHSA-N 0 0 424.428 4.222 20 5 HIBDRN COc1cc(C(=O)NC[C@H](C)C[C@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000524878918 929869804 /nfs/dbraw/zinc/86/98/04/929869804.db2.gz XFHZTEKCDDZYRX-OLZOCXBDSA-N 0 0 422.865 4.186 20 5 HIBDRN COc1cc(C(=O)NC[C@@H](C)C[C@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000524878920 929869816 /nfs/dbraw/zinc/86/98/16/929869816.db2.gz XFHZTEKCDDZYRX-STQMWFEESA-N 0 0 422.865 4.186 20 5 HIBDRN C[C@@H](N[C@H](COCc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000524888068 929874230 /nfs/dbraw/zinc/87/42/30/929874230.db2.gz HIPPOXUNUMQYCY-XMSQKQJNSA-N 0 0 419.481 4.470 20 5 HIBDRN Cc1ccc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1OCC1CCOCC1 ZINC000524944207 929907252 /nfs/dbraw/zinc/90/72/52/929907252.db2.gz ADBHPXVSFKSFAP-UHFFFAOYSA-N 0 0 411.458 4.337 20 5 HIBDRN CC(C)(C)Cc1nc(-c2cccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c2)no1 ZINC000525008646 929971331 /nfs/dbraw/zinc/97/13/31/929971331.db2.gz LPEPBZLBTVGESW-UHFFFAOYSA-N 0 0 423.473 4.075 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1OC ZINC000525039168 929994506 /nfs/dbraw/zinc/99/45/06/929994506.db2.gz IHLBCRVJCRGOJE-NSHDSACASA-N 0 0 412.364 4.464 20 5 HIBDRN O=C(c1cnc(-c2ccncc2)s1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000525045456 930000925 /nfs/dbraw/zinc/00/09/25/930000925.db2.gz YEFIMLZHSRVVAL-UHFFFAOYSA-N 0 0 422.388 4.318 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc([N+](=O)[O-])c1OC ZINC000525069432 930015797 /nfs/dbraw/zinc/01/57/97/930015797.db2.gz WKLWMPPDTLEJBF-HNNXBMFYSA-N 0 0 404.850 4.113 20 5 HIBDRN O=C(c1cc2ccccc2c2cccnc12)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000525074710 930020166 /nfs/dbraw/zinc/02/01/66/930020166.db2.gz QHYHGSKKJAVKCB-UHFFFAOYSA-N 0 0 419.488 4.226 20 5 HIBDRN CC(=O)Nc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000525079944 930023135 /nfs/dbraw/zinc/02/31/35/930023135.db2.gz UXTDEJUBDCCNAP-UHFFFAOYSA-N 0 0 405.410 4.276 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC000525096984 930033112 /nfs/dbraw/zinc/03/31/12/930033112.db2.gz PIWDQRVMBPEOQF-GOSISDBHSA-N 0 0 424.375 4.058 20 5 HIBDRN Cc1cc(C)n(Cc2ccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000525105295 930038649 /nfs/dbraw/zinc/03/86/49/930038649.db2.gz CXRXVNJHHFCBEO-QFIPXVFZSA-N 0 0 422.510 4.344 20 5 HIBDRN CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1C(=O)OC ZINC000525146581 930063909 /nfs/dbraw/zinc/06/39/09/930063909.db2.gz OEVWSFSCDKWVPX-UHFFFAOYSA-N 0 0 411.439 4.172 20 5 HIBDRN Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cc(C)ccc3[N+](=O)[O-])c2)cc1 ZINC000525146761 930063925 /nfs/dbraw/zinc/06/39/25/930063925.db2.gz OFADQQAQBHLBNZ-UHFFFAOYSA-N 0 0 417.465 4.072 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)cs1 ZINC000525174269 930076375 /nfs/dbraw/zinc/07/63/75/930076375.db2.gz MYBSGWGFMLXBER-UHFFFAOYSA-N 0 0 406.471 4.165 20 5 HIBDRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000525240687 930101343 /nfs/dbraw/zinc/10/13/43/930101343.db2.gz 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CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)c[nH]c1=O ZINC000540436158 939248054 /nfs/dbraw/zinc/24/80/54/939248054.db2.gz KTZKBJRZOXSMCW-UHFFFAOYSA-N 0 0 412.265 4.211 20 5 HIBDRN CCOc1ccc(OCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000540450521 939255146 /nfs/dbraw/zinc/25/51/46/939255146.db2.gz UQFJDBVEAKVXHB-UHFFFAOYSA-N 0 0 413.455 4.159 20 5 HIBDRN COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000540456971 939258726 /nfs/dbraw/zinc/25/87/26/939258726.db2.gz SOZYXAMRKFJFMI-UHFFFAOYSA-N 0 0 417.487 4.058 20 5 HIBDRN Cc1ccc([C@@H](CC(=O)OC(C)C)NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000540467546 939264536 /nfs/dbraw/zinc/26/45/36/939264536.db2.gz AQMFRHRWGSBWON-LJQANCHMSA-N 0 0 424.457 4.126 20 5 HIBDRN CCc1ccc(NC(=O)c2nnc(CN[C@@H](C)c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000540476151 939267347 /nfs/dbraw/zinc/26/73/47/939267347.db2.gz JDAZBVKNSIPJTL-ZDUSSCGKSA-N 0 0 411.487 4.112 20 5 HIBDRN C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000540530917 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ZVLRXAJVCKASPL-UHFFFAOYSA-N 0 0 409.467 4.412 20 5 HIBDRN O=c1c(Br)cc(C(F)(F)F)cn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000540647725 939329907 /nfs/dbraw/zinc/32/99/07/939329907.db2.gz WTWZFYPDSLUHDY-UHFFFAOYSA-N 0 0 411.561 4.240 20 5 HIBDRN CC(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540800022 939376983 /nfs/dbraw/zinc/37/69/83/939376983.db2.gz RCVFHCCJXIXZAK-YOEHRIQHSA-N 0 0 411.886 4.403 20 5 HIBDRN CCC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000540827902 939386458 /nfs/dbraw/zinc/38/64/58/939386458.db2.gz VZIJVWDFYVBDQF-JKSUJKDBSA-N 0 0 405.520 4.376 20 5 HIBDRN Cc1ocnc1-c1noc(C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000563674857 945249317 /nfs/dbraw/zinc/24/93/17/945249317.db2.gz BFBYAFFHWPVWSY-UHFFFAOYSA-N 0 0 423.351 4.344 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Cl)c2c(c1)OCCCO2 ZINC000540893670 939412943 /nfs/dbraw/zinc/41/29/43/939412943.db2.gz UURNJOQKAMUCJC-UHFFFAOYSA-N 0 0 411.241 4.035 20 5 HIBDRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000540908893 939415117 /nfs/dbraw/zinc/41/51/17/939415117.db2.gz ZMPWWZAYPFBRJE-GOSISDBHSA-N 0 0 407.392 4.226 20 5 HIBDRN Cc1sc([C@@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000540978412 939423539 /nfs/dbraw/zinc/42/35/39/939423539.db2.gz XBOCNTIZTLPVOS-SNVBAGLBSA-N 0 0 417.878 4.380 20 5 HIBDRN Cc1noc(-c2ccc(C)c(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)c2)n1 ZINC000540984852 939425247 /nfs/dbraw/zinc/42/52/47/939425247.db2.gz AGJLWPRJOBRHIC-UHFFFAOYSA-N 0 0 404.329 4.115 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541010491 939430613 /nfs/dbraw/zinc/43/06/13/939430613.db2.gz LTRFBQAGRJZOCM-QLJPJBMISA-N 0 0 414.792 4.356 20 5 HIBDRN O=C(Nc1c(F)cccc1Br)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541014074 939431423 /nfs/dbraw/zinc/43/14/23/939431423.db2.gz FJJQLTNJJLKWRT-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541030456 939435650 /nfs/dbraw/zinc/43/56/50/939435650.db2.gz QOOQVHDSTRBKJP-UHFFFAOYSA-N 0 0 416.262 4.344 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](c3nc(C)no3)C2)cc1OC ZINC000541057540 939444360 /nfs/dbraw/zinc/44/43/60/939444360.db2.gz OUWYSTIWSXQXRM-HOCLYGCPSA-N 0 0 418.494 4.099 20 5 HIBDRN COc1ccc(C2(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)CCCC2)cc1OC ZINC000541064443 939446915 /nfs/dbraw/zinc/44/69/15/939446915.db2.gz GDBGQRTXXYGNJB-UHFFFAOYSA-N 0 0 400.431 4.071 20 5 HIBDRN COc1cc(NC2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc(OC)c1 ZINC000541071917 939450496 /nfs/dbraw/zinc/45/04/96/939450496.db2.gz CMGVMXHRDJJLCZ-UHFFFAOYSA-N 0 0 405.882 4.342 20 5 HIBDRN CN(CC(=O)Nc1ccccc1Br)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541071586 939450548 /nfs/dbraw/zinc/45/05/48/939450548.db2.gz FYTCYWXFKSDWAI-UHFFFAOYSA-N 0 0 412.671 4.081 20 5 HIBDRN COc1ccc(NC(=O)NC2(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] ZINC000541101914 939460684 /nfs/dbraw/zinc/46/06/84/939460684.db2.gz 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COCCN(C(=O)c1ccnc(C2CC2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000541183805 939484726 /nfs/dbraw/zinc/48/47/26/939484726.db2.gz QAKMOHPGTGVVDH-UHFFFAOYSA-N 0 0 424.482 4.284 20 5 HIBDRN Cn1c2ccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)cc2nc1C(F)F ZINC000541255407 939487846 /nfs/dbraw/zinc/48/78/46/939487846.db2.gz RZQISLJXWVGUOO-IBGZPJMESA-N 0 0 418.425 4.307 20 5 HIBDRN Cc1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])ccc1OC1CCOCC1 ZINC000541265901 939488470 /nfs/dbraw/zinc/48/84/70/939488470.db2.gz NQFMPSUUZQLSKV-UHFFFAOYSA-N 0 0 402.472 4.192 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NCc3cccc(-c4ncc[nH]4)c3)cc2[N+](=O)[O-])CC1 ZINC000541267511 939488491 /nfs/dbraw/zinc/48/84/91/939488491.db2.gz WORIRFDQARXGQU-UHFFFAOYSA-N 0 0 419.485 4.151 20 5 HIBDRN Cc1c(Br)c(=O)n(Cc2cc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000541290293 939489561 /nfs/dbraw/zinc/48/95/61/939489561.db2.gz LSEGIXMNVAUVHX-UHFFFAOYSA-N 0 0 424.638 4.184 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cnc(OCC2CC2)c(Cl)c1 ZINC000541294796 939489786 /nfs/dbraw/zinc/48/97/86/939489786.db2.gz XHEPUTWWXZSOME-UHFFFAOYSA-N 0 0 413.764 4.286 20 5 HIBDRN COc1ccc(C2(CNc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CCC2)cc1 ZINC000541341750 939493100 /nfs/dbraw/zinc/49/31/00/939493100.db2.gz AIOVMJZNGBMTPI-UHFFFAOYSA-N 0 0 409.486 4.373 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)c([N+](=O)[O-])cc1OC ZINC000541376135 939500528 /nfs/dbraw/zinc/50/05/28/939500528.db2.gz NJTZSHHPPDTQIY-UHFFFAOYSA-N 0 0 424.413 4.100 20 5 HIBDRN Cc1ccc([C@H]2CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C2)cc1 ZINC000541391102 939503491 /nfs/dbraw/zinc/50/34/91/939503491.db2.gz TTYBAYZLGLFPSQ-HNNXBMFYSA-N 0 0 408.376 4.474 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000541430355 939514197 /nfs/dbraw/zinc/51/41/97/939514197.db2.gz LHQXEFIIWVTXFC-MRXNPFEDSA-N 0 0 410.854 4.080 20 5 HIBDRN CC(C)(CO)[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000541465234 939526304 /nfs/dbraw/zinc/52/63/04/939526304.db2.gz BXWFXHKEDBSGGB-INIZCTEOSA-N 0 0 422.934 4.259 20 5 HIBDRN COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000541508829 939539811 /nfs/dbraw/zinc/53/98/11/939539811.db2.gz LPOCZWPKRCEGJX-BLLLJJGKSA-N 0 0 406.385 4.428 20 5 HIBDRN CCc1ccc([C@@H](Nc2ccc3c(c2)n(C)c(=O)n3C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541571860 939557843 /nfs/dbraw/zinc/55/78/43/939557843.db2.gz VCMABJHEDZKGLD-NRFANRHFSA-N 0 0 406.442 4.142 20 5 HIBDRN CCN(CC)C(=O)c1ccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)cc1 ZINC000541591144 939561700 /nfs/dbraw/zinc/56/17/00/939561700.db2.gz ZKEJDKGAMQTVHI-UHFFFAOYSA-N 0 0 421.295 4.155 20 5 HIBDRN COc1cccc(N2CC[C@@H](CNc3ncc([N+](=O)[O-])c(C)c3Br)C2)c1 ZINC000541591003 939561851 /nfs/dbraw/zinc/56/18/51/939561851.db2.gz JMIXNBJTMLBNPI-ZDUSSCGKSA-N 0 0 421.295 4.008 20 5 HIBDRN CC[C@](C)(COc1ncccc1Cl)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541595802 939563023 /nfs/dbraw/zinc/56/30/23/939563023.db2.gz WZVNKBLHJPBQHU-CWTRNNRKSA-N 0 0 409.845 4.250 20 5 HIBDRN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000541620922 939573040 /nfs/dbraw/zinc/57/30/40/939573040.db2.gz SMGCKBZPBCEASB-QFIPXVFZSA-N 0 0 422.529 4.009 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000541660044 939592646 /nfs/dbraw/zinc/59/26/46/939592646.db2.gz GKOIIDKCAZLLLE-ZDUSSCGKSA-N 0 0 412.471 4.016 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000541660043 939592785 /nfs/dbraw/zinc/59/27/85/939592785.db2.gz GKOIIDKCAZLLLE-CYBMUJFWSA-N 0 0 412.471 4.016 20 5 HIBDRN Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000541681300 939599389 /nfs/dbraw/zinc/59/93/89/939599389.db2.gz BHMBRUOWTAQBIZ-NSHDSACASA-N 0 0 412.377 4.025 20 5 HIBDRN O=C(NCc1noc(C2CC2)n1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541722339 939614409 /nfs/dbraw/zinc/61/44/09/939614409.db2.gz PJJTXLMZZQFQDK-UHFFFAOYSA-N 0 0 402.476 4.068 20 5 HIBDRN Cc1cnc([C@@H](C)CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000541765852 939624879 /nfs/dbraw/zinc/62/48/79/939624879.db2.gz YMGSHKHYIPOQPE-JTQLQIEISA-N 0 0 416.425 4.100 20 5 HIBDRN COc1ccc(CNC(=O)N2CC=C(c3cccc4ccccc43)C2)cc1[N+](=O)[O-] ZINC000541781659 939628530 /nfs/dbraw/zinc/62/85/30/939628530.db2.gz GDTUYOFWEXOWDI-UHFFFAOYSA-N 0 0 403.438 4.365 20 5 HIBDRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541926918 939656025 /nfs/dbraw/zinc/65/60/25/939656025.db2.gz NWEIKUSHHRRRFP-UHFFFAOYSA-N 0 0 420.290 4.367 20 5 HIBDRN COc1ccc2c(c1)C[C@H](C)N(C(=O)COc1ccc([N+](=O)[O-])c3cccnc13)[C@H]2C ZINC000541951885 939660743 /nfs/dbraw/zinc/66/07/43/939660743.db2.gz NVKIPXLBFRQIPM-GJZGRUSLSA-N 0 0 421.453 4.065 20 5 HIBDRN CCc1ccc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000541983526 939669829 /nfs/dbraw/zinc/66/98/29/939669829.db2.gz KCAQVRZIPCQCJT-GOSISDBHSA-N 0 0 408.376 4.390 20 5 HIBDRN CC(=O)N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(C)cc1 ZINC000541996922 939674718 /nfs/dbraw/zinc/67/47/18/939674718.db2.gz BWNXGXNFADWPCR-MRXNPFEDSA-N 0 0 409.364 4.128 20 5 HIBDRN COC(=O)c1ccc(-c2nc(CSCCOc3cccc([N+](=O)[O-])c3)co2)cc1 ZINC000542003872 939678726 /nfs/dbraw/zinc/67/87/26/939678726.db2.gz QAFFVEFUSPORNV-UHFFFAOYSA-N 0 0 414.439 4.349 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542024597 939690236 /nfs/dbraw/zinc/69/02/36/939690236.db2.gz SQMGABSSDABCPV-CYBMUJFWSA-N 0 0 411.384 4.296 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000542027941 939691944 /nfs/dbraw/zinc/69/19/44/939691944.db2.gz FOEIYABKRQMOGE-AWEZNQCLSA-N 0 0 405.279 4.307 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)Nc2ccc(SC3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000542091237 939707552 /nfs/dbraw/zinc/70/75/52/939707552.db2.gz UPNHOSGRXXNTDW-UHFFFAOYSA-N 0 0 413.499 4.306 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc3ccc(O)cc32)ccc1[N+](=O)[O-] ZINC000542091335 939707665 /nfs/dbraw/zinc/70/76/65/939707665.db2.gz YKNKNRSFBANHDJ-OAQYLSRUSA-N 0 0 419.437 4.005 20 5 HIBDRN Cc1cc(F)ccc1-n1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000542145498 939729562 /nfs/dbraw/zinc/72/95/62/939729562.db2.gz ZFRFOHLGFJHEIR-FQEVSTJZSA-N 0 0 412.446 4.116 20 5 HIBDRN Cc1cc(F)ccc1-n1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000542145499 939729774 /nfs/dbraw/zinc/72/97/74/939729774.db2.gz ZFRFOHLGFJHEIR-HXUWFJFHSA-N 0 0 412.446 4.116 20 5 HIBDRN O=[N+]([O-])c1ccccc1OC[C@@H](O)Cn1ccc(-c2cc(Cl)ccc2Cl)n1 ZINC000542190448 939750261 /nfs/dbraw/zinc/75/02/61/939750261.db2.gz NBTSZWLOQIFNCQ-ZDUSSCGKSA-N 0 0 408.241 4.205 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000542199074 939753465 /nfs/dbraw/zinc/75/34/65/939753465.db2.gz KMESMVBBVOGEEB-KDOFPFPSSA-N 0 0 410.854 4.126 20 5 HIBDRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000542205870 939756164 /nfs/dbraw/zinc/75/61/64/939756164.db2.gz RMKXDYMNISUCIM-NZQKXSOJSA-N 0 0 417.465 4.438 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000542247274 939772206 /nfs/dbraw/zinc/77/22/06/939772206.db2.gz KEYAXIQHOODOOB-OAQYLSRUSA-N 0 0 420.469 4.090 20 5 HIBDRN C[C@@H]1C[C@H](CCNc2nc(NCC[C@@H]3CCO[C@@H](C)C3)c([N+](=O)[O-])s2)CCO1 ZINC000542281800 939784529 /nfs/dbraw/zinc/78/45/29/939784529.db2.gz KCROWCMRXCNGAW-ZJIFWQFVSA-N 0 0 412.556 4.286 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](c3cccc(C)c3)C2)cc1[N+](=O)[O-] ZINC000542321904 939799592 /nfs/dbraw/zinc/79/95/92/939799592.db2.gz QGEXRJGGRIGEQI-GOSISDBHSA-N 0 0 400.500 4.161 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1nccn1Cc1ccccc1 ZINC000542363921 939808236 /nfs/dbraw/zinc/80/82/36/939808236.db2.gz DWWYHSHQUPRGLJ-UHFFFAOYSA-N 0 0 402.863 4.224 20 5 HIBDRN COC(=O)[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1Cl ZINC000542373322 939809560 /nfs/dbraw/zinc/80/95/60/939809560.db2.gz RNHCBKUROBQALU-INIZCTEOSA-N 0 0 422.224 4.027 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000542378585 939810630 /nfs/dbraw/zinc/81/06/30/939810630.db2.gz RXMIUFRTBFKFFX-UHFFFAOYSA-N 0 0 403.483 4.174 20 5 HIBDRN CN(C)c1nc2cc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])ccc2o1 ZINC000542393819 939813397 /nfs/dbraw/zinc/81/33/97/939813397.db2.gz QSKHFWOSRSGMSY-UHFFFAOYSA-N 0 0 406.851 4.186 20 5 HIBDRN CCc1ccc([C@@H](NC[C@H](O)COc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542478997 939830276 /nfs/dbraw/zinc/83/02/76/939830276.db2.gz LTANGXWCWDFUOI-AVRDEDQJSA-N 0 0 414.433 4.008 20 5 HIBDRN Cc1c(Br)c(N2CCC(C(F)(F)F)(C(F)(F)F)C2)ncc1[N+](=O)[O-] ZINC000542507523 939834379 /nfs/dbraw/zinc/83/43/79/939834379.db2.gz QGAQBZFUEJIFIP-UHFFFAOYSA-N 0 0 422.123 4.382 20 5 HIBDRN Cc1c(Br)c(Sc2n[nH]c(-c3ccccc3F)n2)ncc1[N+](=O)[O-] ZINC000542508127 939834546 /nfs/dbraw/zinc/83/45/46/939834546.db2.gz BJJNVIXQJAASJH-UHFFFAOYSA-N 0 0 410.228 4.136 20 5 HIBDRN CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000542514543 939835680 /nfs/dbraw/zinc/83/56/80/939835680.db2.gz GXJWRURBJGFTEZ-JTQLQIEISA-N 0 0 410.352 4.455 20 5 HIBDRN C[C@@H](C(=O)Nc1nc2ccccc2nc1N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000542515138 939835779 /nfs/dbraw/zinc/83/57/79/939835779.db2.gz QLAUJUCTCORRJU-CYBMUJFWSA-N 0 0 409.421 4.020 20 5 HIBDRN C[C@H](C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542522928 939836872 /nfs/dbraw/zinc/83/68/72/939836872.db2.gz OCCPXHSKRCSIRP-RYUDHWBXSA-N 0 0 409.820 4.025 20 5 HIBDRN Cc1cc(-c2noc([C@@H](C)NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)ccc1F ZINC000542527041 939837446 /nfs/dbraw/zinc/83/74/46/939837446.db2.gz OTLFFVSVVJBKNG-VXGBXAGGSA-N 0 0 416.384 4.212 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542527566 939837664 /nfs/dbraw/zinc/83/76/64/939837664.db2.gz KBDMNHSBJHAZQI-HNNXBMFYSA-N 0 0 410.449 4.463 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542534796 939839476 /nfs/dbraw/zinc/83/94/76/939839476.db2.gz QBGMOKDUHVHSHO-PKOBYXMFSA-N 0 0 421.856 4.149 20 5 HIBDRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000542541356 939840785 /nfs/dbraw/zinc/84/07/85/939840785.db2.gz NTUWVZVDZBHUPX-BEFAXECRSA-N 0 0 416.449 4.054 20 5 HIBDRN COc1cc(CN[C@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542546741 939841878 /nfs/dbraw/zinc/84/18/78/939841878.db2.gz GFNIUJVZIPTWFJ-KRWDZBQOSA-N 0 0 413.446 4.253 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000542551987 939842517 /nfs/dbraw/zinc/84/25/17/939842517.db2.gz DUSJQGRIBUMAGL-XLIONFOSSA-N 0 0 401.438 4.204 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542560610 939844007 /nfs/dbraw/zinc/84/40/07/939844007.db2.gz SDSQLLPLBNCRLV-VQIMIIECSA-N 0 0 422.840 4.193 20 5 HIBDRN CCC(C)(C)OCc1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000542562896 939844166 /nfs/dbraw/zinc/84/41/66/939844166.db2.gz JQPVYJHFGJPFSX-UHFFFAOYSA-N 0 0 400.431 4.324 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000542589822 939846921 /nfs/dbraw/zinc/84/69/21/939846921.db2.gz HROGNRZLNXGFQV-HNAYVOBHSA-N 0 0 404.463 4.448 20 5 HIBDRN Cc1c(NC(=O)CCN[C@@H](C)c2nc(C3CCCCC3)no2)cccc1[N+](=O)[O-] ZINC000542621713 939849533 /nfs/dbraw/zinc/84/95/33/939849533.db2.gz LCEKWTYTGFYGIF-AWEZNQCLSA-N 0 0 401.467 4.013 20 5 HIBDRN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)sc1Cl ZINC000542683316 939854003 /nfs/dbraw/zinc/85/40/03/939854003.db2.gz PFRUIPZOSVYPNJ-SECBINFHSA-N 0 0 409.316 4.088 20 5 HIBDRN COc1cc(C(=O)NC2CCC(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000542862391 939863838 /nfs/dbraw/zinc/86/38/38/939863838.db2.gz WMKQXSOMXVIEQS-UHFFFAOYSA-N 0 0 402.422 4.207 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 ZINC000542865306 939864144 /nfs/dbraw/zinc/86/41/44/939864144.db2.gz JRLGNWVGKWQLEM-UHFFFAOYSA-N 0 0 415.803 4.000 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)ccc1OCc1cccnc1 ZINC000543000154 939893772 /nfs/dbraw/zinc/89/37/72/939893772.db2.gz BUBWZEIMOFHXMO-UHFFFAOYSA-N 0 0 423.425 4.228 20 5 HIBDRN CCCc1c(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000543045959 939907950 /nfs/dbraw/zinc/90/79/50/939907950.db2.gz GGVLFSXADGVTRV-UHFFFAOYSA-N 0 0 409.446 4.063 20 5 HIBDRN CCOc1ccc(C(C)(C)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1OCC ZINC000543102123 939945407 /nfs/dbraw/zinc/94/54/07/939945407.db2.gz ZTDAJYCGYOVYFM-UHFFFAOYSA-N 0 0 402.447 4.317 20 5 HIBDRN C/C(=C/c1nc(-c2ccc(-n3nc(C)cc3C)nc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000543117231 939954680 /nfs/dbraw/zinc/95/46/80/939954680.db2.gz YFJHTEGJYDINTN-RAXLEYEMSA-N 0 0 402.414 4.403 20 5 HIBDRN O=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000543119316 939955321 /nfs/dbraw/zinc/95/53/21/939955321.db2.gz FYBKRBVHUWKJAR-UHFFFAOYSA-N 0 0 403.316 4.472 20 5 HIBDRN Cc1c(Br)c(=O)n(Cc2cc(Cl)cc3cccnc32)cc1[N+](=O)[O-] ZINC000543145155 939970211 /nfs/dbraw/zinc/97/02/11/939970211.db2.gz QPSAEIJXEJHGIQ-UHFFFAOYSA-N 0 0 408.639 4.077 20 5 HIBDRN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1ccc(Cl)cc1 ZINC000543150533 939973252 /nfs/dbraw/zinc/97/32/52/939973252.db2.gz UIWPRBPELUZZGM-UHFFFAOYSA-N 0 0 402.756 4.005 20 5 HIBDRN C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000543150284 939973444 /nfs/dbraw/zinc/97/34/44/939973444.db2.gz QZJLIVKCPNZOLL-CYBMUJFWSA-N 0 0 416.890 4.403 20 5 HIBDRN C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000543152149 939975785 /nfs/dbraw/zinc/97/57/85/939975785.db2.gz AZHKAVDIZHZNPM-ZDUSSCGKSA-N 0 0 404.463 4.492 20 5 HIBDRN COc1cc(C(=O)N[C@]2(C)CCO[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543183575 939988441 /nfs/dbraw/zinc/98/84/41/939988441.db2.gz NHMGZDIPVNJHBP-MPBGBICISA-N 0 0 420.849 4.346 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)ccc1[N+](=O)[O-] ZINC000543228289 940001633 /nfs/dbraw/zinc/00/16/33/940001633.db2.gz QEBNDNZUYCLIPE-GFCCVEGCSA-N 0 0 411.277 4.405 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(N2CCCCC2)nc1 ZINC000543255886 940009774 /nfs/dbraw/zinc/00/97/74/940009774.db2.gz IBWICOWECCHJIW-UHFFFAOYSA-N 0 0 420.922 4.042 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1nc(Cc2ccccc2)cs1 ZINC000543308844 940025002 /nfs/dbraw/zinc/02/50/02/940025002.db2.gz XMMPCHYAXYFTEE-UHFFFAOYSA-N 0 0 420.450 4.208 20 5 HIBDRN Cc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000543319247 940028191 /nfs/dbraw/zinc/02/81/91/940028191.db2.gz DURQKKFWEROCCS-NSHDSACASA-N 0 0 412.368 4.264 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccccc2-c2nnnn2C(C)C)cc1[N+](=O)[O-] ZINC000543358040 940041174 /nfs/dbraw/zinc/04/11/74/940041174.db2.gz ABOKVRMKBKYYQZ-AWEZNQCLSA-N 0 0 409.450 4.020 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(-n3nnnc3C(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000543367576 940044090 /nfs/dbraw/zinc/04/40/90/940044090.db2.gz VZYABZRFXXRJOF-OAHLLOKOSA-N 0 0 423.477 4.193 20 5 HIBDRN O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000543373409 940045513 /nfs/dbraw/zinc/04/55/13/940045513.db2.gz ADDITTFCJXFWNJ-UHFFFAOYSA-N 0 0 422.626 4.048 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000543391110 940049800 /nfs/dbraw/zinc/04/98/00/940049800.db2.gz IGQSDHFMERVBHX-UHFFFAOYSA-N 0 0 411.487 4.391 20 5 HIBDRN CCc1ccc([C@@H](N[C@H]2CCN(c3ncccc3F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403860 940053445 /nfs/dbraw/zinc/05/34/45/940053445.db2.gz WZNBSUILICIGGF-KKSFZXQISA-N 0 0 410.449 4.242 20 5 HIBDRN Cc1cc(-c2cc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)c3c(C)noc3n2)c(C)s1 ZINC000563770329 945293333 /nfs/dbraw/zinc/29/33/33/945293333.db2.gz MWXZIGVOTYSZJA-UHFFFAOYSA-N 0 0 423.454 4.456 20 5 HIBDRN Cc1c(Br)c(N[C@H](C)c2ccccc2-n2cccn2)ncc1[N+](=O)[O-] ZINC000543436327 940063742 /nfs/dbraw/zinc/06/37/42/940063742.db2.gz JFLCUQRLJWBOOD-GFCCVEGCSA-N 0 0 402.252 4.420 20 5 HIBDRN C[C@@H](C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000543438288 940064066 /nfs/dbraw/zinc/06/40/66/940064066.db2.gz LGSIWGLVRADXES-MNOVXSKESA-N 0 0 406.364 4.460 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2n1C(F)F ZINC000543438294 940064342 /nfs/dbraw/zinc/06/43/42/940064342.db2.gz LGSIWGLVRADXES-WDEREUQCSA-N 0 0 406.364 4.460 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543445643 940065636 /nfs/dbraw/zinc/06/56/36/940065636.db2.gz XEZOBWNWAWMPQG-INIZCTEOSA-N 0 0 413.327 4.358 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(NCc3ccc(N4CCc5ccccc5C4)nc3)c21 ZINC000543448469 940066502 /nfs/dbraw/zinc/06/65/02/940066502.db2.gz HTJWWAMTHRFGKK-UHFFFAOYSA-N 0 0 412.453 4.108 20 5 HIBDRN CCn1cc(Br)c(=O)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000543455400 940068321 /nfs/dbraw/zinc/06/83/21/940068321.db2.gz UENOJDMXGCUNKA-UHFFFAOYSA-N 0 0 422.260 4.006 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1F ZINC000543458226 940068854 /nfs/dbraw/zinc/06/88/54/940068854.db2.gz WVVICEJCUOWIBL-RYUDHWBXSA-N 0 0 416.384 4.212 20 5 HIBDRN C[C@@H](C(=O)N[C@@H](C)Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000543463480 940072093 /nfs/dbraw/zinc/07/20/93/940072093.db2.gz UYHAPDGBFIYQAJ-NWDGAFQWSA-N 0 0 409.255 4.347 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543493221 940083003 /nfs/dbraw/zinc/08/30/03/940083003.db2.gz FDEXJAGKXIDINL-CRFBAAHOSA-N 0 0 404.463 4.251 20 5 HIBDRN CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000543498913 940085974 /nfs/dbraw/zinc/08/59/74/940085974.db2.gz WEJMQNACRVAWCS-OAHLLOKOSA-N 0 0 401.438 4.023 20 5 HIBDRN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)Oc1ccccc1Br ZINC000543641455 940146433 /nfs/dbraw/zinc/14/64/33/940146433.db2.gz HPEIVDSYZKFRJH-JTQLQIEISA-N 0 0 412.215 4.085 20 5 HIBDRN CN(Cc1cscn1)Cc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000543692243 940160964 /nfs/dbraw/zinc/16/09/64/940160964.db2.gz RGAXTRRTRZQEAF-UHFFFAOYSA-N 0 0 415.450 4.466 20 5 HIBDRN CN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000543764585 940178291 /nfs/dbraw/zinc/17/82/91/940178291.db2.gz CTFOPNFRNVDNAY-HOCLYGCPSA-N 0 0 408.380 4.231 20 5 HIBDRN CN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000543766082 940179351 /nfs/dbraw/zinc/17/93/51/940179351.db2.gz VAXFDQHIMLYZPN-LJQANCHMSA-N 0 0 414.824 4.458 20 5 HIBDRN C[C@@](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)(c1ccc(F)cc1)C(F)(F)F ZINC000543795336 940189506 /nfs/dbraw/zinc/18/95/06/940189506.db2.gz OFFVNYKUGVFXNR-GOSISDBHSA-N 0 0 422.338 4.127 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@]2(C(F)(F)F)CCc3ccccc32)cc1OC ZINC000543795380 940189514 /nfs/dbraw/zinc/18/95/14/940189514.db2.gz PRGHBOMQAFGPLA-LJQANCHMSA-N 0 0 424.375 4.136 20 5 HIBDRN COc1cc(CCNC(=O)c2ccc(-c3ccc(C)o3)s2)c([N+](=O)[O-])cc1OC ZINC000543798103 940190511 /nfs/dbraw/zinc/19/05/11/940190511.db2.gz WRSPNXBEQNRHJZ-UHFFFAOYSA-N 0 0 416.455 4.214 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@]1(C(F)(F)F)CCc2ccccc21 ZINC000543797724 940190807 /nfs/dbraw/zinc/19/08/07/940190807.db2.gz QRHBKVGVTFRUHU-IBGZPJMESA-N 0 0 403.360 4.139 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2F)C(C)C)cccc1[N+](=O)[O-] ZINC000543822750 940199023 /nfs/dbraw/zinc/19/90/23/940199023.db2.gz FEQJMPUJCDREOS-KRWDZBQOSA-N 0 0 407.829 4.148 20 5 HIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000543834941 940203725 /nfs/dbraw/zinc/20/37/25/940203725.db2.gz IZDBYYLMWSQNKO-INIZCTEOSA-N 0 0 414.767 4.481 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000543849046 940207618 /nfs/dbraw/zinc/20/76/18/940207618.db2.gz GZRHKLYCSONIHF-UHFFFAOYSA-N 0 0 405.410 4.132 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(OCC(F)(F)F)n1 ZINC000543853605 940210083 /nfs/dbraw/zinc/21/00/83/940210083.db2.gz HRLHKRHUYNRHQU-UHFFFAOYSA-N 0 0 409.242 4.202 20 5 HIBDRN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCc1ccc([N+](=O)[O-])cc1Cl ZINC000543862861 940214768 /nfs/dbraw/zinc/21/47/68/940214768.db2.gz TUVFSMUSMKHQCV-GFCCVEGCSA-N 0 0 419.890 4.458 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000543898190 940231881 /nfs/dbraw/zinc/23/18/81/940231881.db2.gz PNIMQVMIDWMESA-HNNXBMFYSA-N 0 0 422.281 4.456 20 5 HIBDRN CC(C)(C)Oc1c(F)cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1F ZINC000543907229 940236770 /nfs/dbraw/zinc/23/67/70/940236770.db2.gz LSRQTXJEZBHGDL-UHFFFAOYSA-N 0 0 416.384 4.488 20 5 HIBDRN COc1ccc(NC(=O)C(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000543935890 940253639 /nfs/dbraw/zinc/25/36/39/940253639.db2.gz RFWJGYNAPBEADD-FQEVSTJZSA-N 0 0 413.474 4.179 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)ccc1[N+](=O)[O-] ZINC000543962826 940272524 /nfs/dbraw/zinc/27/25/24/940272524.db2.gz KQUYCTGCNYWEBL-UHFFFAOYSA-N 0 0 424.457 4.002 20 5 HIBDRN Cc1cc(F)ccc1-n1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000543974983 940280473 /nfs/dbraw/zinc/28/04/73/940280473.db2.gz UKBLUELYGDRPGS-UHFFFAOYSA-N 0 0 406.320 4.082 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@H]2c2ccc(F)cc2F)s1 ZINC000543976337 940281031 /nfs/dbraw/zinc/28/10/31/940281031.db2.gz OTJXTZKDDTWSIG-ZDUSSCGKSA-N 0 0 402.444 4.070 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H](COc2ccccc2)c2ccccc2)s1 ZINC000543975888 940281119 /nfs/dbraw/zinc/28/11/19/940281119.db2.gz QDCCFEPSJKZUAZ-MRXNPFEDSA-N 0 0 418.496 4.292 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(c2nccc3sccc32)CC1 ZINC000563835848 945309334 /nfs/dbraw/zinc/30/93/34/945309334.db2.gz PXXOEFCVHLVOFA-UHFFFAOYSA-N 0 0 411.487 4.175 20 5 HIBDRN C[C@H](Sc1nnnn1-c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000544078546 940319568 /nfs/dbraw/zinc/31/95/68/940319568.db2.gz VGXZINWDTIZXAV-JTQLQIEISA-N 0 0 406.265 4.186 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)CSc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000544088618 940323445 /nfs/dbraw/zinc/32/34/45/940323445.db2.gz NNFAFZLHOCBIHS-CYBMUJFWSA-N 0 0 412.471 4.177 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000544307497 940386082 /nfs/dbraw/zinc/38/60/82/940386082.db2.gz UUDQAKUVIRNGNN-UHFFFAOYSA-N 0 0 422.666 4.465 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000544338269 940394028 /nfs/dbraw/zinc/39/40/28/940394028.db2.gz IZGMVIWICISETJ-UHFFFAOYSA-N 0 0 420.469 4.397 20 5 HIBDRN CCOc1cccc(NCCCc2nnc(SC)n2C2CCCC2)c1[N+](=O)[O-] ZINC000544352861 940397955 /nfs/dbraw/zinc/39/79/55/940397955.db2.gz APLVUORDRWFNLG-UHFFFAOYSA-N 0 0 405.524 4.467 20 5 HIBDRN C[C@@H](C(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544427535 940425698 /nfs/dbraw/zinc/42/56/98/940425698.db2.gz LTKCHXKQMNWGCZ-LLVKDONJSA-N 0 0 400.328 4.095 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000544428345 940426162 /nfs/dbraw/zinc/42/61/62/940426162.db2.gz ZDSZIPRVSSKXLL-CYBMUJFWSA-N 0 0 408.389 4.123 20 5 HIBDRN C[C@H](C(=O)NCc1ccc(OCc2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000544434781 940429199 /nfs/dbraw/zinc/42/91/99/940429199.db2.gz YRQQPBRVFHLQMC-HNNXBMFYSA-N 0 0 409.417 4.128 20 5 HIBDRN C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000544444742 940433380 /nfs/dbraw/zinc/43/33/80/940433380.db2.gz VEIFRNXABNKBAH-QWRGUYRKSA-N 0 0 418.812 4.418 20 5 HIBDRN O=[N+]([O-])c1cccc(-n2ccc(-c3nc(C(F)(F)c4ccc(F)cc4)no3)n2)c1 ZINC000544459226 940439693 /nfs/dbraw/zinc/43/96/93/940439693.db2.gz LOSHKUKVUPZTNV-UHFFFAOYSA-N 0 0 401.304 4.110 20 5 HIBDRN CC[C@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(C)noc1C ZINC000544459059 940439846 /nfs/dbraw/zinc/43/98/46/940439846.db2.gz WKIBASQMAKKHRN-HNNXBMFYSA-N 0 0 415.475 4.003 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000544489916 940454915 /nfs/dbraw/zinc/45/49/15/940454915.db2.gz DGWCDDDDCMXBJG-NEPJUHHUSA-N 0 0 406.508 4.035 20 5 HIBDRN C[C@@H](C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544491367 940455831 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O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000544726523 940507985 /nfs/dbraw/zinc/50/79/85/940507985.db2.gz UQNCSWZGWKQYFU-CQSZACIVSA-N 0 0 401.271 4.009 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1nc2ccccc2n1C1CC1 ZINC000544733031 940508578 /nfs/dbraw/zinc/50/85/78/940508578.db2.gz ILFREFIXQHNKLD-UHFFFAOYSA-N 0 0 414.849 4.018 20 5 HIBDRN Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000544757266 940511178 /nfs/dbraw/zinc/51/11/78/940511178.db2.gz QYEUNRLLHWUGHX-GOSISDBHSA-N 0 0 424.501 4.000 20 5 HIBDRN CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000544756933 940511242 /nfs/dbraw/zinc/51/12/42/940511242.db2.gz HIQQHPRTVQXOSX-UHFFFAOYSA-N 0 0 414.462 4.490 20 5 HIBDRN Nc1ccc(-c2noc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1[N+](=O)[O-] ZINC000544930736 940526232 /nfs/dbraw/zinc/52/62/32/940526232.db2.gz XBONZHXRIIPWDO-UHFFFAOYSA-N 0 0 419.372 4.285 20 5 HIBDRN O=[N+]([O-])c1ccc2c(ccn2Cc2nc(Cc3ccc(Br)cc3)no2)c1 ZINC000544929924 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NC(=O)c1ccc(-c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)s1 ZINC000545056307 940537811 /nfs/dbraw/zinc/53/78/11/940537811.db2.gz WIAUCPHVTUVOSX-UHFFFAOYSA-N 0 0 408.395 4.265 20 5 HIBDRN NC(=O)c1cccc(-c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)c1 ZINC000545057080 940538038 /nfs/dbraw/zinc/53/80/38/940538038.db2.gz FHDJLPCYYBUVQZ-UHFFFAOYSA-N 0 0 402.366 4.203 20 5 HIBDRN CC(=O)c1cccc(OCCCc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000545074314 940539538 /nfs/dbraw/zinc/53/95/38/940539538.db2.gz QYDBISLBMGNSLQ-UHFFFAOYSA-N 0 0 420.425 4.264 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3csc(-c4ccc(Cl)s4)n3)n2)nc1 ZINC000545078898 940540287 /nfs/dbraw/zinc/54/02/87/940540287.db2.gz VOIGDNYQKHBABB-UHFFFAOYSA-N 0 0 405.848 4.469 20 5 HIBDRN CS[C@@H]1C(=O)Nc2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4Cl)n3)cc21 ZINC000545087407 940541276 /nfs/dbraw/zinc/54/12/76/940541276.db2.gz QRXUHUKWRTWKOX-AWEZNQCLSA-N 0 0 402.819 4.321 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Cl)cc2OC(F)F)c([N+](=O)[O-])cc1OC 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ZINC000545339166 940563038 /nfs/dbraw/zinc/56/30/38/940563038.db2.gz AEHTZHQTNMWLMO-VIFPVBQESA-N 0 0 408.423 4.363 20 5 HIBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc3c(cccc3Cl)[nH]2)cc1 ZINC000545376216 940566867 /nfs/dbraw/zinc/56/68/67/940566867.db2.gz FOZSEWHZKZYJOT-UHFFFAOYSA-N 0 0 408.805 4.021 20 5 HIBDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000545432970 940569723 /nfs/dbraw/zinc/56/97/23/940569723.db2.gz XIUFVUPAMZBAOC-OAHLLOKOSA-N 0 0 411.458 4.143 20 5 HIBDRN CCCc1c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cnn1-c1cc(C)ccn1 ZINC000545488744 940571784 /nfs/dbraw/zinc/57/17/84/940571784.db2.gz FMUYZMJNCFMDPU-UHFFFAOYSA-N 0 0 404.430 4.170 20 5 HIBDRN Cc1ccc(S(=O)(=O)Cc2noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 ZINC000545527720 940573310 /nfs/dbraw/zinc/57/33/10/940573310.db2.gz CNYMWQDEATZPEP-UHFFFAOYSA-N 0 0 415.452 4.142 20 5 HIBDRN CCc1ccc(-c2nc(Cc3nc(=O)c4c(C)c(C)sc4[nH]3)no2)cc1[N+](=O)[O-] ZINC000545531997 940573513 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GOWXKKZLUDHQGW-LLVKDONJSA-N 0 0 412.793 4.019 20 5 HIBDRN COc1ccc(Br)cc1-c1noc(-c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000545638292 940578454 /nfs/dbraw/zinc/57/84/54/940578454.db2.gz WTJDYJZHHOVDQD-UHFFFAOYSA-N 0 0 406.192 4.092 20 5 HIBDRN Cn1cnnc1Sc1ccc(-c2nc(CC3CCCCC3)no2)cc1[N+](=O)[O-] ZINC000545670200 940579838 /nfs/dbraw/zinc/57/98/38/940579838.db2.gz FZSBQHXYONEMSN-UHFFFAOYSA-N 0 0 400.464 4.047 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(-c2csc(Cc3ccccc3)n2)n1 ZINC000545673157 940579919 /nfs/dbraw/zinc/57/99/19/940579919.db2.gz LPSTYQOCASXVGA-UHFFFAOYSA-N 0 0 407.455 4.347 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc(-c3ccc(OCC4CC4)nc3)no2)c2ccccc21 ZINC000545680037 940580319 /nfs/dbraw/zinc/58/03/19/940580319.db2.gz NBBZMUOEODCESV-UHFFFAOYSA-N 0 0 424.460 4.437 20 5 HIBDRN COc1cc(OCc2nc(CCCOc3cccc(C)c3C)no2)ccc1[N+](=O)[O-] ZINC000545692931 940581055 /nfs/dbraw/zinc/58/10/55/940581055.db2.gz HOSCPUUFRYPMKN-UHFFFAOYSA-N 0 0 413.430 4.194 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(-c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000545699665 940581411 /nfs/dbraw/zinc/58/14/11/940581411.db2.gz ATRHRPFXJAPQPU-UHFFFAOYSA-N 0 0 415.837 4.419 20 5 HIBDRN O=C1C[C@@H](c2noc(/C=C\c3ccc(-c4ccccc4[N+](=O)[O-])s3)n2)CN1C1CC1 ZINC000545714459 940582034 /nfs/dbraw/zinc/58/20/34/940582034.db2.gz YAGLEZIRVRFKPH-CHOZFAJLSA-N 0 0 422.466 4.355 20 5 HIBDRN COc1ccc(CCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 ZINC000545741940 940583230 /nfs/dbraw/zinc/58/32/30/940583230.db2.gz MBXFCZMWCGJSFD-UHFFFAOYSA-N 0 0 418.247 4.125 20 5 HIBDRN COc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c(C)c1 ZINC000545743315 940583331 /nfs/dbraw/zinc/58/33/31/940583331.db2.gz UOHNRBCVMBJUGV-UHFFFAOYSA-N 0 0 404.220 4.315 20 5 HIBDRN CC(C)CN1C[C@H](c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)CC1=O ZINC000545765576 940584666 /nfs/dbraw/zinc/58/46/66/940584666.db2.gz URZQYVAZFMCIKV-MRXNPFEDSA-N 0 0 422.441 4.409 20 5 HIBDRN COc1cc(Cc2noc(CCCOc3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] ZINC000545778015 940586643 /nfs/dbraw/zinc/58/66/43/940586643.db2.gz WBKOYZLCLYIBNF-UHFFFAOYSA-N 0 0 403.822 4.242 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(CN(Cc3ccccc3)c3ccccc3)n2)nc1 ZINC000545780602 940588300 /nfs/dbraw/zinc/58/83/00/940588300.db2.gz ICINCSFGQFOENL-UHFFFAOYSA-N 0 0 401.426 4.170 20 5 HIBDRN CC[C@H](C)Oc1cc(-c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)ccn1 ZINC000545781598 940588882 /nfs/dbraw/zinc/58/88/82/940588882.db2.gz RVDITOOQPAQOKK-NSHDSACASA-N 0 0 407.386 4.138 20 5 HIBDRN Cc1c(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)nnn1-c1ccccc1Cl ZINC000545784928 940592371 /nfs/dbraw/zinc/59/23/71/940592371.db2.gz JDLJUGNNHLMTQW-UHFFFAOYSA-N 0 0 410.821 4.087 20 5 HIBDRN COc1cc(Cc2noc(-c3cccc(OCc4cscn4)c3)n2)ccc1[N+](=O)[O-] ZINC000545786481 940592933 /nfs/dbraw/zinc/59/29/33/940592933.db2.gz KTKOVTPBBXAZGV-UHFFFAOYSA-N 0 0 424.438 4.280 20 5 HIBDRN O=c1cc(-c2nc(-c3ccc(OC4CCCC4)nc3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000545788078 940594734 /nfs/dbraw/zinc/59/47/34/940594734.db2.gz 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Cn1ccnc1[C@H](N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000552276754 941621088 /nfs/dbraw/zinc/62/10/88/941621088.db2.gz IWRNULBQJQKAAS-UYAOXDASSA-N 0 0 410.449 4.449 20 5 HIBDRN COc1cc(CN2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552300470 941626768 /nfs/dbraw/zinc/62/67/68/941626768.db2.gz IZCNQYIMGVIKEM-INIZCTEOSA-N 0 0 408.442 4.118 20 5 HIBDRN COc1cc(OCC(=O)Nc2ccc(N3CCCCCC3)cc2C)ccc1[N+](=O)[O-] ZINC000552300843 941627497 /nfs/dbraw/zinc/62/74/97/941627497.db2.gz DEXKCCBSJZYUPU-UHFFFAOYSA-N 0 0 413.474 4.310 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000552333072 941634112 /nfs/dbraw/zinc/63/41/12/941634112.db2.gz SBQSWGGFFVVKCS-GFCCVEGCSA-N 0 0 408.380 4.235 20 5 HIBDRN COc1cccc(OC(F)(F)F)c1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000552358314 941643372 /nfs/dbraw/zinc/64/33/72/941643372.db2.gz SMHPECHXUBFBAR-JTQLQIEISA-N 0 0 416.327 4.061 20 5 HIBDRN COc1ccccc1OCc1ccc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000552615137 941724140 /nfs/dbraw/zinc/72/41/40/941724140.db2.gz WZHKLHMFPYEALD-UHFFFAOYSA-N 0 0 410.426 4.090 20 5 HIBDRN Cc1ccc(C(=O)c2ccccc2C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000552717297 941744197 /nfs/dbraw/zinc/74/41/97/941744197.db2.gz FCZWXZKNTHLVRE-UHFFFAOYSA-N 0 0 402.450 4.449 20 5 HIBDRN COc1cnc2ccccc2c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552741247 941749456 /nfs/dbraw/zinc/74/94/56/941749456.db2.gz CZBKLIMZQDUPOU-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(O)ccc1C(F)(F)F ZINC000552742884 941750156 /nfs/dbraw/zinc/75/01/56/941750156.db2.gz AWJODQHWVDEAFZ-UHFFFAOYSA-N 0 0 405.126 4.334 20 5 HIBDRN Cc1noc(C(C)(C)NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 ZINC000552768143 941757107 /nfs/dbraw/zinc/75/71/07/941757107.db2.gz KGGNDKSPUBIMAT-UHFFFAOYSA-N 0 0 412.471 4.411 20 5 HIBDRN CSc1ccc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)cc1[N+](=O)[O-] ZINC000552770772 941757675 /nfs/dbraw/zinc/75/76/75/941757675.db2.gz HNMWJKKRCWROJY-MRXNPFEDSA-N 0 0 422.304 4.355 20 5 HIBDRN Cn1cc(C(=O)NCc2ccc(OC3CCCC3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000552781572 941760592 /nfs/dbraw/zinc/76/05/92/941760592.db2.gz MFXAWIRBOREXMU-UHFFFAOYSA-N 0 0 420.469 4.247 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2cnc(SC3CCCC3)nc2)c1 ZINC000552789024 941763789 /nfs/dbraw/zinc/76/37/89/941763789.db2.gz DTBIMHCCBNRPKC-UHFFFAOYSA-N 0 0 418.544 4.114 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000552841929 941785898 /nfs/dbraw/zinc/78/58/98/941785898.db2.gz LOICVILZBFUCFS-QRWLVFNGSA-N 0 0 420.473 4.253 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(Cl)c(C)cc1Br ZINC000552847534 941786727 /nfs/dbraw/zinc/78/67/27/941786727.db2.gz DHFQSMRRWWAHKY-UHFFFAOYSA-N 0 0 413.655 4.258 20 5 HIBDRN CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000552848594 941786765 /nfs/dbraw/zinc/78/67/65/941786765.db2.gz FFXIKUKFEADJKQ-INIZCTEOSA-N 0 0 403.866 4.111 20 5 HIBDRN COc1cc(CCNC(=O)CCSc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000552865304 941793194 /nfs/dbraw/zinc/79/31/94/941793194.db2.gz KRRYLRMNMOYDOS-UHFFFAOYSA-N 0 0 424.906 4.107 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1nnc(-c2ccccc2Cl)n1C ZINC000552924534 941803966 /nfs/dbraw/zinc/80/39/66/941803966.db2.gz OWVHQDDZFHLHBS-UHFFFAOYSA-N 0 0 418.862 4.290 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(-c3ncco3)c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000553056238 941825569 /nfs/dbraw/zinc/82/55/69/941825569.db2.gz WVDVQOFHNWSLQT-UHFFFAOYSA-N 0 0 419.340 4.421 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553073356 941828439 /nfs/dbraw/zinc/82/84/39/941828439.db2.gz LNPJPLPWCMVRFJ-GFCCVEGCSA-N 0 0 403.895 4.136 20 5 HIBDRN Cc1nn(C)c(C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000553114156 941834914 /nfs/dbraw/zinc/83/49/14/941834914.db2.gz YVVAXPZVPQFTIW-JSGCOSHPSA-N 0 0 419.279 4.086 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCOc2cc(O)ccc2C1 ZINC000553153343 941841468 /nfs/dbraw/zinc/84/14/68/941841468.db2.gz NSVZAJRWBLTCMK-UHFFFAOYSA-N 0 0 406.394 4.128 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000553175703 941845030 /nfs/dbraw/zinc/84/50/30/941845030.db2.gz AHJFUQFWCQCXFK-UHFFFAOYSA-N 0 0 415.515 4.380 20 5 HIBDRN COC(=O)c1cc(C)nc(N2CCC([C@@H](F)c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000553268123 941858926 /nfs/dbraw/zinc/85/89/26/941858926.db2.gz YPSZHKUYRSEJSR-QGZVFWFLSA-N 0 0 405.401 4.151 20 5 HIBDRN C[C@@H]1CCCN(C(=O)C2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000553275872 941859761 /nfs/dbraw/zinc/85/97/61/941859761.db2.gz WYHVTBZOICHIIJ-GFCCVEGCSA-N 0 0 400.306 4.377 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CCOc4cc(O)ccc4C3)c([N+](=O)[O-])c2)cc1 ZINC000553296356 941862834 /nfs/dbraw/zinc/86/28/34/941862834.db2.gz ZAIVZFGBJGPORJ-UHFFFAOYSA-N 0 0 419.437 4.260 20 5 HIBDRN COc1c(C(=O)N2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000553380902 941876611 /nfs/dbraw/zinc/87/66/11/941876611.db2.gz MTZAITOPOLFKHN-SJKOYZFVSA-N 0 0 424.375 4.224 20 5 HIBDRN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553381586 941877006 /nfs/dbraw/zinc/87/70/06/941877006.db2.gz YRVUZQUMCFUYQJ-FZKQIMNGSA-N 0 0 408.376 4.145 20 5 HIBDRN Cc1noc(C)c1[C@@H](C)CC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000553383293 941877756 /nfs/dbraw/zinc/87/77/56/941877756.db2.gz MVPNYGKYYZPHPO-NSHDSACASA-N 0 0 400.460 4.480 20 5 HIBDRN Cc1ccc(CNc2ncnc3sc([N+](=O)[O-])cc32)c(OC[C@H]2CCCO2)c1 ZINC000553426289 941882836 /nfs/dbraw/zinc/88/28/36/941882836.db2.gz BHDYSTINIPPRDS-CQSZACIVSA-N 0 0 400.460 4.078 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)s1 ZINC000553489332 941894757 /nfs/dbraw/zinc/89/47/57/941894757.db2.gz ZRCXLQRVMYFECW-ZDUSSCGKSA-N 0 0 410.377 4.196 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1ccc(Br)cc1 ZINC000553511811 941900212 /nfs/dbraw/zinc/90/02/12/941900212.db2.gz MVWOFKRWJUSOIZ-UHFFFAOYSA-N 0 0 414.277 4.118 20 5 HIBDRN O=[N+]([O-])c1cc(CNS(=O)(=O)c2ccc(C(F)F)cc2)cc(C(F)(F)F)c1 ZINC000553518653 941901384 /nfs/dbraw/zinc/90/13/84/941901384.db2.gz MWMBBGVTPQZMNB-UHFFFAOYSA-N 0 0 410.320 4.030 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1 ZINC000553537677 941904586 /nfs/dbraw/zinc/90/45/86/941904586.db2.gz NXWRAIUWDAGSCO-UHFFFAOYSA-N 0 0 416.327 4.391 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000553574885 941912208 /nfs/dbraw/zinc/91/22/08/941912208.db2.gz CVYLVZQIVPAMHV-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN COc1ccccc1-c1noc(C2CCN(c3ccc([N+](=O)[O-])c(C(C)=O)c3)CC2)n1 ZINC000553583418 941914817 /nfs/dbraw/zinc/91/48/17/941914817.db2.gz WEVSOEMTAINIGK-UHFFFAOYSA-N 0 0 422.441 4.240 20 5 HIBDRN O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000553726920 941953597 /nfs/dbraw/zinc/95/35/97/941953597.db2.gz OANSUEWBZNYYBF-UHFFFAOYSA-N 0 0 411.286 4.370 20 5 HIBDRN COc1ccc(CC(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)cc1[N+](=O)[O-] ZINC000553730824 941954360 /nfs/dbraw/zinc/95/43/60/941954360.db2.gz JSTRUYGCCCOMHN-UHFFFAOYSA-N 0 0 411.433 4.173 20 5 HIBDRN Cn1ncc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1-c1ccccc1 ZINC000553817481 941975798 /nfs/dbraw/zinc/97/57/98/941975798.db2.gz XECVQNZUWUYLFI-UHFFFAOYSA-N 0 0 400.822 4.056 20 5 HIBDRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000553977826 942011814 /nfs/dbraw/zinc/01/18/14/942011814.db2.gz RNHCWGVLPIHEDM-UHFFFAOYSA-N 0 0 414.845 4.407 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCn2c(cc3ccccc32)C1 ZINC000554121265 942041806 /nfs/dbraw/zinc/04/18/06/942041806.db2.gz YXYAQXNAOBMUOE-UHFFFAOYSA-N 0 0 404.470 4.196 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCCCCOC1CCCCC1 ZINC000554388402 942122411 /nfs/dbraw/zinc/12/24/11/942122411.db2.gz NEZMQPNOYDWBBI-UHFFFAOYSA-N 0 0 404.916 4.046 20 5 HIBDRN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000554502420 942161236 /nfs/dbraw/zinc/16/12/36/942161236.db2.gz YEOWMXNBESTLPH-MRXNPFEDSA-N 0 0 409.364 4.001 20 5 HIBDRN C[C@H](C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000554628260 942178913 /nfs/dbraw/zinc/17/89/13/942178913.db2.gz LPXVUOBYRMPDIP-NSHDSACASA-N 0 0 410.257 4.150 20 5 HIBDRN CC(=O)N(c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000554647144 942186480 /nfs/dbraw/zinc/18/64/80/942186480.db2.gz NAEOLWQIFIRSTR-GFCCVEGCSA-N 0 0 417.849 4.170 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccc(COc2ccccc2)cc1 ZINC000554695283 942202100 /nfs/dbraw/zinc/20/21/00/942202100.db2.gz XDWFJFRXHACUNG-UHFFFAOYSA-N 0 0 412.392 4.311 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000554746031 942218643 /nfs/dbraw/zinc/21/86/43/942218643.db2.gz NYNYJJGWQJLFKS-UHFFFAOYSA-N 0 0 405.788 4.066 20 5 HIBDRN CC(C)(C(=O)Nc1cncc(Cl)c1Br)c1ccc([N+](=O)[O-])cc1F ZINC000554761677 942225707 /nfs/dbraw/zinc/22/57/07/942225707.db2.gz CACGIDUQGBGKPK-UHFFFAOYSA-N 0 0 416.634 4.461 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc2[nH]ccc21 ZINC000554761820 942226736 /nfs/dbraw/zinc/22/67/36/942226736.db2.gz FLGZOMRXXFKCFU-UHFFFAOYSA-N 0 0 408.414 4.059 20 5 HIBDRN Cc1nc2ccc(Br)cn2c1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000554788714 942238180 /nfs/dbraw/zinc/23/81/80/942238180.db2.gz JRWDYQPAMJFKLX-UHFFFAOYSA-N 0 0 400.192 4.030 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(-c2nc(CC(=O)Nc3c(CC)cccc3CC)no2)c1 ZINC000554822047 942262398 /nfs/dbraw/zinc/26/23/98/942262398.db2.gz NZVNOZUMKWFMOP-UHFFFAOYSA-N 0 0 424.457 4.350 20 5 HIBDRN COc1cc(Cc2noc(-c3ncoc3-c3ccc(C)cc3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000554831956 942270276 /nfs/dbraw/zinc/27/02/76/942270276.db2.gz IGLDOVNOCYCDFM-UHFFFAOYSA-N 0 0 422.397 4.216 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000554834745 942273028 /nfs/dbraw/zinc/27/30/28/942273028.db2.gz KHUGEXUGQMWTFQ-AWEZNQCLSA-N 0 0 420.307 4.167 20 5 HIBDRN O=c1cc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)c2ccccc2[nH]1 ZINC000554844636 942281592 /nfs/dbraw/zinc/28/15/92/942281592.db2.gz NAJFDOVQXZRLJD-UHFFFAOYSA-N 0 0 413.187 4.328 20 5 HIBDRN COc1cc(C)c(Br)cc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554910392 942316362 /nfs/dbraw/zinc/31/63/62/942316362.db2.gz ILDUQEGIOQNBIF-UHFFFAOYSA-N 0 0 422.279 4.381 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 ZINC000554963435 942335906 /nfs/dbraw/zinc/33/59/06/942335906.db2.gz WXIVIUYKFWKIKN-CYBMUJFWSA-N 0 0 420.849 4.315 20 5 HIBDRN Cc1csc(N(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C2CC2)n1 ZINC000554997940 942349195 /nfs/dbraw/zinc/34/91/95/942349195.db2.gz RRULODBWSXGKHQ-UHFFFAOYSA-N 0 0 411.487 4.031 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000555075319 942377799 /nfs/dbraw/zinc/37/77/99/942377799.db2.gz VVJFNBRYCLAFIZ-QGZVFWFLSA-N 0 0 423.448 4.112 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])c1 ZINC000555139751 942400149 /nfs/dbraw/zinc/40/01/49/942400149.db2.gz SHMNIOAOGNDRDH-NRFANRHFSA-N 0 0 409.486 4.239 20 5 HIBDRN CN(CCC(F)(F)F)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 ZINC000555170658 942415136 /nfs/dbraw/zinc/41/51/36/942415136.db2.gz XSTBFWVLOBJCDI-UHFFFAOYSA-N 0 0 405.380 4.290 20 5 HIBDRN C[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)C[C@H](C)S1 ZINC000555181035 942420250 /nfs/dbraw/zinc/42/02/50/942420250.db2.gz SNTSVNZZZKPCDO-HOTGVXAUSA-N 0 0 409.515 4.232 20 5 HIBDRN CCOC(=O)c1csc(CCNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000555194590 942425969 /nfs/dbraw/zinc/42/59/69/942425969.db2.gz XEEJBZKXPZSIPD-UHFFFAOYSA-N 0 0 403.382 4.210 20 5 HIBDRN CN(Cc1ccccn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CCc1ccccc1 ZINC000555202587 942430048 /nfs/dbraw/zinc/43/00/48/942430048.db2.gz ZVUGBWLNECWZSP-UHFFFAOYSA-N 0 0 414.469 4.127 20 5 HIBDRN O=C(Nc1ncc(-c2ccccc2F)s1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000555202663 942430133 /nfs/dbraw/zinc/43/01/33/942430133.db2.gz FLHMXRJOYJCIPK-UHFFFAOYSA-N 0 0 419.459 4.194 20 5 HIBDRN C[C@H](c1c(F)cccc1F)N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000555218266 942434632 /nfs/dbraw/zinc/43/46/32/942434632.db2.gz KGJQIMYWHFGAQC-GFCCVEGCSA-N 0 0 402.401 4.299 20 5 HIBDRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555301863 942467927 /nfs/dbraw/zinc/46/79/27/942467927.db2.gz VMQYINDUIFTRGM-LBPRGKRZSA-N 0 0 416.421 4.210 20 5 HIBDRN Cc1ccc(C(C)C)c(Oc2ccc(CN3C[C@@H]4COC[C@H](C3)O4)cc2[N+](=O)[O-])c1 ZINC000555350479 942488564 /nfs/dbraw/zinc/48/85/64/942488564.db2.gz UQIVYOLOEHBAOM-KDURUIRLSA-N 0 0 412.486 4.419 20 5 HIBDRN Cc1ccccc1C(=O)NC1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555405341 942518073 /nfs/dbraw/zinc/51/80/73/942518073.db2.gz PPBGEDOBHODUHZ-UHFFFAOYSA-N 0 0 421.419 4.316 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCc3ccccc3[C@H]2c2ccccc2)cc1 ZINC000555421570 942525278 /nfs/dbraw/zinc/52/52/78/942525278.db2.gz XZZOUIMLEXVPOJ-JOCHJYFZSA-N 0 0 408.479 4.072 20 5 HIBDRN CC(C)(C)[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)C1 ZINC000555486237 942588016 /nfs/dbraw/zinc/58/80/16/942588016.db2.gz DHXSFKYKLZSHGJ-SJLPKXTDSA-N 0 0 413.522 4.152 20 5 HIBDRN COc1cc(CN2CCC[C@H]2c2ccc(Br)cn2)c([N+](=O)[O-])cc1F ZINC000555510647 942614385 /nfs/dbraw/zinc/61/43/85/942614385.db2.gz UFUQRLJCMOLAJV-HNNXBMFYSA-N 0 0 410.243 4.237 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000555527610 942628637 /nfs/dbraw/zinc/62/86/37/942628637.db2.gz IWTCOLKCDSTNGL-FQEVSTJZSA-N 0 0 408.420 4.431 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000555601425 942664382 /nfs/dbraw/zinc/66/43/82/942664382.db2.gz QHDGKNVLTNMRRC-MGPLVRAMSA-N 0 0 423.819 4.007 20 5 HIBDRN COc1cc(C(=O)NCc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])cc1OC ZINC000555605824 942665897 /nfs/dbraw/zinc/66/58/97/942665897.db2.gz QNKHFLYQZVITGK-UHFFFAOYSA-N 0 0 422.437 4.121 20 5 HIBDRN C[C@H](C(=O)NCCc1cc(Cl)ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000555737286 942716093 /nfs/dbraw/zinc/71/60/93/942716093.db2.gz CICCTQNYQBLSNI-NSHDSACASA-N 0 0 411.683 4.473 20 5 HIBDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555737635 942716408 /nfs/dbraw/zinc/71/64/08/942716408.db2.gz ZGXNEHGSVOTQBX-CVEARBPZSA-N 0 0 418.453 4.223 20 5 HIBDRN COc1cc2c(cc1Cl)CN([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000555742269 942718291 /nfs/dbraw/zinc/71/82/91/942718291.db2.gz MSAJMEPKGBXFHH-GFCCVEGCSA-N 0 0 414.849 4.426 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000555807150 942739391 /nfs/dbraw/zinc/73/93/91/942739391.db2.gz NQVLWLRFNAVAOT-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C[C@@H](C)O2 ZINC000555847781 942752009 /nfs/dbraw/zinc/75/20/09/942752009.db2.gz WRLDOXHFTWUIRX-SNVBAGLBSA-N 0 0 421.247 4.102 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000555869947 942759720 /nfs/dbraw/zinc/75/97/20/942759720.db2.gz UVFSHIUUOUUUMG-CQSZACIVSA-N 0 0 423.267 4.053 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000555879489 942762955 /nfs/dbraw/zinc/76/29/55/942762955.db2.gz KVRQXZPQELWDLP-OAHLLOKOSA-N 0 0 409.211 4.058 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000555884867 942765358 /nfs/dbraw/zinc/76/53/58/942765358.db2.gz JMXZCEYCSPXCLT-LLVKDONJSA-N 0 0 407.264 4.122 20 5 HIBDRN CCOc1cc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)ccc1OC ZINC000555888392 942767736 /nfs/dbraw/zinc/76/77/36/942767736.db2.gz ZHCFQNZJBVELIW-UHFFFAOYSA-N 0 0 423.263 4.003 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000555980784 942783015 /nfs/dbraw/zinc/78/30/15/942783015.db2.gz RRDRFONAGFQYOU-UHFFFAOYSA-N 0 0 424.375 4.440 20 5 HIBDRN COc1cc(Cc2noc([C@@H](C)CSc3ccccc3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000556015906 942785603 /nfs/dbraw/zinc/78/56/03/942785603.db2.gz BXUWYDQULNZWBJ-ZDUSSCGKSA-N 0 0 415.471 4.482 20 5 HIBDRN Cc1ccccc1Cc1nc(CNc2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000556287461 942833571 /nfs/dbraw/zinc/83/35/71/942833571.db2.gz LKBIRAULYCLWQD-UHFFFAOYSA-N 0 0 403.236 4.252 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000556392594 942855155 /nfs/dbraw/zinc/85/51/55/942855155.db2.gz LSJDMNJNAJTTPC-UHFFFAOYSA-N 0 0 418.169 4.270 20 5 HIBDRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556462120 942874680 /nfs/dbraw/zinc/87/46/80/942874680.db2.gz JILDQFNOHJYNSY-HXUWFJFHSA-N 0 0 422.485 4.060 20 5 HIBDRN O=C(CCc1cnc2ccccc2c1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556464172 942875283 /nfs/dbraw/zinc/87/52/83/942875283.db2.gz SQCUYLOQCURLSH-UHFFFAOYSA-N 0 0 400.232 4.477 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000556471830 942878156 /nfs/dbraw/zinc/87/81/56/942878156.db2.gz JCRKQZMFERQJMH-UHFFFAOYSA-N 0 0 403.429 4.349 20 5 HIBDRN COc1cc(OC)cc(Oc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)c1 ZINC000556473404 942878708 /nfs/dbraw/zinc/87/87/08/942878708.db2.gz GYIJWPDJYSOTGQ-UHFFFAOYSA-N 0 0 408.410 4.334 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCSc3ccccc32)cc1[N+](=O)[O-] ZINC000556505511 942887082 /nfs/dbraw/zinc/88/70/82/942887082.db2.gz KIURXHCOXCDWEU-INIZCTEOSA-N 0 0 413.499 4.184 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@]1(c2ccccc2)CCCCC1=O ZINC000556534784 942893883 /nfs/dbraw/zinc/89/38/83/942893883.db2.gz VMBGNNHMDDSGGE-NRFANRHFSA-N 0 0 415.877 4.157 20 5 HIBDRN CC(C)(C(=O)NCc1csc(CCc2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000556559656 942898706 /nfs/dbraw/zinc/89/87/06/942898706.db2.gz RAMZBLAZBIQCJY-UHFFFAOYSA-N 0 0 409.511 4.431 20 5 HIBDRN Cn1ccnc1[C@@H](NCCOc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000556865234 942943299 /nfs/dbraw/zinc/94/32/99/942943299.db2.gz MHWRDOJMHWSKMV-SFHVURJKSA-N 0 0 421.284 4.393 20 5 HIBDRN Cc1ccc(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c(OCC2CC2)c1 ZINC000556868501 942944233 /nfs/dbraw/zinc/94/42/33/942944233.db2.gz RLBMBGYUYRIGLQ-JOCHJYFZSA-N 0 0 406.486 4.305 20 5 HIBDRN C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000556885889 942950745 /nfs/dbraw/zinc/95/07/45/942950745.db2.gz IWMJARQGXOSHSY-KUHUBIRLSA-N 0 0 400.866 4.128 20 5 HIBDRN CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000556963287 942981012 /nfs/dbraw/zinc/98/10/12/942981012.db2.gz OWEYCLOEQYUHTB-HNNXBMFYSA-N 0 0 421.291 4.079 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000557059970 943008912 /nfs/dbraw/zinc/00/89/12/943008912.db2.gz GBGBDIMIPATFAT-LJQANCHMSA-N 0 0 404.850 4.155 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)c1 ZINC000557070989 943011786 /nfs/dbraw/zinc/01/17/86/943011786.db2.gz VYNCOZNJMRZLEH-UHFFFAOYSA-N 0 0 424.457 4.408 20 5 HIBDRN O=C(NCc1ccncc1OCc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000557072332 943012156 /nfs/dbraw/zinc/01/21/56/943012156.db2.gz FFZGTERDSYZXDY-UHFFFAOYSA-N 0 0 418.453 4.073 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000557075343 943013653 /nfs/dbraw/zinc/01/36/53/943013653.db2.gz GAJXUYWVNRAGFV-UHFFFAOYSA-N 0 0 415.646 4.465 20 5 HIBDRN CCC(CC)(CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)OC ZINC000557077223 943014306 /nfs/dbraw/zinc/01/43/06/943014306.db2.gz IBPVQPWUMJWTPX-OAHLLOKOSA-N 0 0 400.479 4.098 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2noc(C(C)C)n2)CC1 ZINC000557294221 943066931 /nfs/dbraw/zinc/06/69/31/943066931.db2.gz MRPHOPLXHSPFLT-UHFFFAOYSA-N 0 0 404.492 4.233 20 5 HIBDRN COc1cccc(C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000557340935 943078156 /nfs/dbraw/zinc/07/81/56/943078156.db2.gz HHVQOHVNBFUCBP-SFHVURJKSA-N 0 0 404.850 4.155 20 5 HIBDRN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N(CCO)CC1CC1 ZINC000557383711 943095495 /nfs/dbraw/zinc/09/54/95/943095495.db2.gz ZZMFSJXFHDDHAV-UHFFFAOYSA-N 0 0 406.891 4.244 20 5 HIBDRN C[C@H](C(=O)NC[C@H](NCc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000557460014 943140681 /nfs/dbraw/zinc/14/06/81/943140681.db2.gz SBGPNTBAZHVEJX-YWZLYKJASA-N 0 0 411.433 4.078 20 5 HIBDRN CC(C)(C(=O)NC[C@H](NCc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000557460098 943141137 /nfs/dbraw/zinc/14/11/37/943141137.db2.gz UKSDUAGYVKNNIH-FQEVSTJZSA-N 0 0 407.470 4.113 20 5 HIBDRN CC[C@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)OCCO2 ZINC000557483779 943160638 /nfs/dbraw/zinc/16/06/38/943160638.db2.gz UVTROGVAYKKKSG-GUYCJALGSA-N 0 0 410.430 4.218 20 5 HIBDRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000557502946 943173644 /nfs/dbraw/zinc/17/36/44/943173644.db2.gz YVNZSNSMSXEGOI-UHFFFAOYSA-N 0 0 412.450 4.198 20 5 HIBDRN O=[N+]([O-])c1ccc(OCCSc2nnc(-c3ccccc3F)n2C2CC2)cc1 ZINC000557525116 943190654 /nfs/dbraw/zinc/19/06/54/943190654.db2.gz WMOUNWFGLRSTGQ-UHFFFAOYSA-N 0 0 400.435 4.498 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)[C@@H]1CCC[C@H]1O ZINC000557528739 943192268 /nfs/dbraw/zinc/19/22/68/943192268.db2.gz QNEBFSVEKQPDSJ-IAGOWNOFSA-N 0 0 406.891 4.385 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000557579489 943218185 /nfs/dbraw/zinc/21/81/85/943218185.db2.gz BGKHDQQNBUHCFA-XFNCPJSQSA-N 0 0 418.540 4.118 20 5 HIBDRN CC(=O)c1cc(N2CCN(C(=O)c3sc4ccccc4c3C)CC2)ccc1[N+](=O)[O-] ZINC000557586344 943219932 /nfs/dbraw/zinc/21/99/32/943219932.db2.gz DCHIDBWOMNKQBQ-UHFFFAOYSA-N 0 0 423.494 4.283 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C(F)(F)F)cc1Cl ZINC000557593956 943222531 /nfs/dbraw/zinc/22/25/31/943222531.db2.gz HRUMKFBHJSIHIB-UHFFFAOYSA-N 0 0 411.727 4.304 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3nc4c(cccc4Cl)[nH]3)cc2)c(C)c1[N+](=O)[O-] ZINC000557596841 943225351 /nfs/dbraw/zinc/22/53/51/943225351.db2.gz WQDWXBPHYMWMIE-UHFFFAOYSA-N 0 0 424.848 4.238 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000557624362 943235932 /nfs/dbraw/zinc/23/59/32/943235932.db2.gz PTKWEGNZACDWPK-INIZCTEOSA-N 0 0 406.426 4.015 20 5 HIBDRN CCCCOc1ccc(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)cc1Cl ZINC000557660634 943250881 /nfs/dbraw/zinc/25/08/81/943250881.db2.gz VICCUENSVLEMJG-UHFFFAOYSA-N 0 0 402.838 4.688 20 5 HIBDRN COc1ccccc1O[C@H]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000557694277 943261247 /nfs/dbraw/zinc/26/12/47/943261247.db2.gz VHKMSICDHTWYTM-HNNXBMFYSA-N 0 0 404.850 4.249 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CCC[C@@](O)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000557715003 943266929 /nfs/dbraw/zinc/26/69/29/943266929.db2.gz NZQQKERXAWDVEB-IBGZPJMESA-N 0 0 408.376 4.110 20 5 HIBDRN O=C(Nc1nc(C2CCOCC2)cs1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000557722820 943270037 /nfs/dbraw/zinc/27/00/37/943270037.db2.gz UILDRXOSNDXYMW-UHFFFAOYSA-N 0 0 401.366 4.216 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000557745157 943276695 /nfs/dbraw/zinc/27/66/95/943276695.db2.gz MNYIOHRRPYIMDE-FQEVSTJZSA-N 0 0 422.403 4.064 20 5 HIBDRN COc1c(C(=O)Nc2nc3c(cccc3Br)s2)cccc1[N+](=O)[O-] ZINC000557774564 943287723 /nfs/dbraw/zinc/28/77/23/943287723.db2.gz CWLNFGGXOGHVIY-UHFFFAOYSA-N 0 0 408.233 4.228 20 5 HIBDRN C[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)c2ccccc21 ZINC000557886161 943321567 /nfs/dbraw/zinc/32/15/67/943321567.db2.gz ZKKUDHLSULKPQP-CQSZACIVSA-N 0 0 411.437 4.191 20 5 HIBDRN CC(=O)N(c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1)C1CC1 ZINC000557939625 943334426 /nfs/dbraw/zinc/33/44/26/943334426.db2.gz CUZWCVMVHLKABB-UHFFFAOYSA-N 0 0 407.348 4.381 20 5 HIBDRN CC(=O)N(c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000557941049 943335058 /nfs/dbraw/zinc/33/50/58/943335058.db2.gz SBRALEUFBAXJHB-UHFFFAOYSA-N 0 0 418.247 4.125 20 5 HIBDRN O=C(N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1(C(F)F)CCCC1 ZINC000558015160 943355533 /nfs/dbraw/zinc/35/55/33/943355533.db2.gz CONHRJMZLRTBFV-UHFFFAOYSA-N 0 0 421.366 4.088 20 5 HIBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000558023802 943359065 /nfs/dbraw/zinc/35/90/65/943359065.db2.gz 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CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(-c3n[nH]c(C)n3)c2)no1 ZINC000558335366 943513290 /nfs/dbraw/zinc/51/32/90/943513290.db2.gz QHOLTOQBUHDFJA-OAHLLOKOSA-N 0 0 404.430 4.475 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3nc[nH]n3)no2)cc1Sc1ccc(Cl)cc1 ZINC000558357822 943523822 /nfs/dbraw/zinc/52/38/22/943523822.db2.gz MZSASMOQBNAURX-UHFFFAOYSA-N 0 0 400.807 4.235 20 5 HIBDRN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC(F)(F)[C@H](C)C1 ZINC000558467493 943567604 /nfs/dbraw/zinc/56/76/04/943567604.db2.gz XRTYAKHFMNRJAQ-NEPJUHHUSA-N 0 0 410.446 4.022 20 5 HIBDRN O=C(N[C@H](c1c[nH]c2ccccc21)C(F)(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000558486044 943572640 /nfs/dbraw/zinc/57/26/40/943572640.db2.gz FBTHWXYHJSMKDP-GOSISDBHSA-N 0 0 418.375 4.447 20 5 HIBDRN O=[N+]([O-])c1cc(I)cc(CNc2cccc3cnccc32)c1 ZINC000558491027 943574949 /nfs/dbraw/zinc/57/49/49/943574949.db2.gz RMLNSCQWKIHNRW-UHFFFAOYSA-N 0 0 405.195 4.360 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000558515765 943583828 /nfs/dbraw/zinc/58/38/28/943583828.db2.gz ZZMSJEUCVPQPQZ-UHFFFAOYSA-N 0 0 411.458 4.293 20 5 HIBDRN O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1(Cc2cccs2)CCCCC1 ZINC000558527852 943589392 /nfs/dbraw/zinc/58/93/92/943589392.db2.gz WSGSXBFQESALOR-INIZCTEOSA-N 0 0 414.531 4.257 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000558535952 943591616 /nfs/dbraw/zinc/59/16/16/943591616.db2.gz JAXFBCZANXKBTI-ZIAGYGMSSA-N 0 0 417.893 4.400 20 5 HIBDRN CCOCc1nc([C@@H](C)NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)no1 ZINC000558569064 943602210 /nfs/dbraw/zinc/60/22/10/943602210.db2.gz DMVDYTGGAJYNJF-OAHLLOKOSA-N 0 0 411.462 4.133 20 5 HIBDRN CC[C@@]1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)OCCc2ccccc21 ZINC000558578495 943606848 /nfs/dbraw/zinc/60/68/48/943606848.db2.gz DTCGMOBIHCXAAE-QFIPXVFZSA-N 0 0 400.450 4.006 20 5 HIBDRN COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)cc1 ZINC000558594756 943612901 /nfs/dbraw/zinc/61/29/01/943612901.db2.gz CBSDAEWYWMCGLB-IBGZPJMESA-N 0 0 423.513 4.299 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000558727276 943633840 /nfs/dbraw/zinc/63/38/40/943633840.db2.gz CZMQEEAYCSGUML-REPLKXPHSA-N 0 0 417.465 4.459 20 5 HIBDRN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739062 943636163 /nfs/dbraw/zinc/63/61/63/943636163.db2.gz BNHGIVMXRQQLQX-MRXNPFEDSA-N 0 0 416.547 4.280 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000558759366 943648829 /nfs/dbraw/zinc/64/88/29/943648829.db2.gz ABGIYCLJKPYQAV-UHFFFAOYSA-N 0 0 413.474 4.185 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000558774650 943657790 /nfs/dbraw/zinc/65/77/90/943657790.db2.gz ZUUQAXQJIQTPEJ-NSHDSACASA-N 0 0 416.821 4.188 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c1 ZINC000558808205 943672061 /nfs/dbraw/zinc/67/20/61/943672061.db2.gz 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O=C(c1cn(-c2ccc(Cl)c(Cl)c2)cn1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000559320350 943895929 /nfs/dbraw/zinc/89/59/29/943895929.db2.gz JLUAOOCKERNETN-UHFFFAOYSA-N 0 0 417.252 4.286 20 5 HIBDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000559390393 943928973 /nfs/dbraw/zinc/92/89/73/943928973.db2.gz YGIYPZVZKJLGEX-VFVRVIDISA-N 0 0 421.291 4.353 20 5 HIBDRN Cc1ccc(Cn2nccc2NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000559479964 943974930 /nfs/dbraw/zinc/97/49/30/943974930.db2.gz XRCWTASAVPPNIG-UHFFFAOYSA-N 0 0 404.348 4.419 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000559580080 944010795 /nfs/dbraw/zinc/01/07/95/944010795.db2.gz ALRCSUAJIIKGKP-OAHLLOKOSA-N 0 0 421.247 4.086 20 5 HIBDRN CCn1c2cc(F)ccc2nc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000559618632 944018314 /nfs/dbraw/zinc/01/83/14/944018314.db2.gz IJUHYYFRFIGODU-UHFFFAOYSA-N 0 0 421.226 4.427 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000559784421 944050269 /nfs/dbraw/zinc/05/02/69/944050269.db2.gz HHGPCUUIOUQWKQ-UHFFFAOYSA-N 0 0 403.398 4.185 20 5 HIBDRN Cc1nc([C@H]2CCCOC2)sc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000559942302 944094030 /nfs/dbraw/zinc/09/40/30/944094030.db2.gz XAGWIDGZIIRLGK-INIZCTEOSA-N 0 0 403.504 4.006 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000560072139 944149456 /nfs/dbraw/zinc/14/94/56/944149456.db2.gz XYUDTGIOOQLINW-OAHLLOKOSA-N 0 0 414.483 4.499 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000560118829 944166672 /nfs/dbraw/zinc/16/66/72/944166672.db2.gz SPQROTVDEUJCQE-BXKDBHETSA-N 0 0 409.202 4.469 20 5 HIBDRN CCOc1ccc(CNC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000560132968 944172812 /nfs/dbraw/zinc/17/28/12/944172812.db2.gz LVDNEWQPXNGUTM-UHFFFAOYSA-N 0 0 424.906 4.205 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C2(Cc3ccc(F)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000560197697 944193741 /nfs/dbraw/zinc/19/37/41/944193741.db2.gz 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COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 ZINC000572160057 947852686 /nfs/dbraw/zinc/85/26/86/947852686.db2.gz OLENNBCMXPRHMD-QGZVFWFLSA-N 0 0 410.348 4.383 20 5 HIBDRN NC(=O)c1ccnc(N[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000572176273 947857198 /nfs/dbraw/zinc/85/71/98/947857198.db2.gz RZAFLCHVUTXNCG-QUCCMNQESA-N 0 0 402.454 4.362 20 5 HIBDRN CN(C)c1ccccc1CN(C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000572317520 947882569 /nfs/dbraw/zinc/88/25/69/947882569.db2.gz APTQITKVSMLQSP-UHFFFAOYSA-N 0 0 404.339 4.346 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000572507638 947920287 /nfs/dbraw/zinc/92/02/87/947920287.db2.gz ZLKHSYSWQJHTEP-UHFFFAOYSA-N 0 0 406.167 4.003 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CC[C@@H](COC(F)F)C2)cc1[N+](=O)[O-] ZINC000572549394 947943286 /nfs/dbraw/zinc/94/32/86/947943286.db2.gz SSFNGUIJVNUPML-CYBMUJFWSA-N 0 0 402.463 4.434 20 5 HIBDRN Cc1cc([C@H]2CN(c3ncc([N+](=O)[O-])c(C)c3Br)CCO2)ccc1F ZINC000572563071 947947851 /nfs/dbraw/zinc/94/78/51/947947851.db2.gz OBHBTTVFDIVUOV-OAHLLOKOSA-N 0 0 410.243 4.086 20 5 HIBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000572866506 948024602 /nfs/dbraw/zinc/02/46/02/948024602.db2.gz FJOKSFFMMIIHJL-GOSISDBHSA-N 0 0 409.446 4.152 20 5 HIBDRN COc1cccc(Cc2noc(-c3cc([N+](=O)[O-])cc(Br)c3C)n2)c1 ZINC000572918688 948040491 /nfs/dbraw/zinc/04/04/91/948040491.db2.gz GFGQOWRREFUEAW-UHFFFAOYSA-N 0 0 404.220 4.315 20 5 HIBDRN CC(C)(c1nc(-c2ccc(Cn3cccn3)cc2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000572918712 948040843 /nfs/dbraw/zinc/04/08/43/948040843.db2.gz HATJKGHMYWJOCU-UHFFFAOYSA-N 0 0 407.405 4.355 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000572991435 948053504 /nfs/dbraw/zinc/05/35/04/948053504.db2.gz CWWTWRMSXBFHAX-UHFFFAOYSA-N 0 0 424.375 4.499 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000573077547 948075914 /nfs/dbraw/zinc/07/59/14/948075914.db2.gz QMJNTALTUCSQTO-HUUCEWRRSA-N 0 0 417.347 4.141 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCN3c3ncnc4sccc43)n2)s1 ZINC000573286979 948144808 /nfs/dbraw/zinc/14/48/08/948144808.db2.gz TVBWQCUJGMPVSD-JTQLQIEISA-N 0 0 400.445 4.053 20 5 HIBDRN CCOCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000573333526 948157658 /nfs/dbraw/zinc/15/76/58/948157658.db2.gz RZXUAQUYLPDFML-UHFFFAOYSA-N 0 0 407.264 4.132 20 5 HIBDRN CCc1ccc([C@H](Nc2cccc(C(=O)NCCOC)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000573349241 948161119 /nfs/dbraw/zinc/16/11/19/948161119.db2.gz JDJSAYJPKDARBU-JOCHJYFZSA-N 0 0 423.469 4.328 20 5 HIBDRN Cc1cc(N2CCCN3c4ccccc4C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573414756 948200540 /nfs/dbraw/zinc/20/05/40/948200540.db2.gz KTTQRHMUNOZCHY-FQEVSTJZSA-N 0 0 401.470 4.002 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000573482780 948214500 /nfs/dbraw/zinc/21/45/00/948214500.db2.gz OGMCKORNAQAKJM-CQSZACIVSA-N 0 0 423.263 4.256 20 5 HIBDRN O=C(N[C@H](c1noc(CSc2ccc([N+](=O)[O-])cc2)n1)C1CC1)c1ccccc1 ZINC000573604473 948247650 /nfs/dbraw/zinc/24/76/50/948247650.db2.gz GPXXWLISHUUTOY-SFHVURJKSA-N 0 0 410.455 4.151 20 5 HIBDRN COc1cc(-c2nc(-c3cc(OC(F)F)ccc3F)no2)cc([N+](=O)[O-])c1OC ZINC000573704960 948275885 /nfs/dbraw/zinc/27/58/85/948275885.db2.gz YWCLKYGEAKFALD-UHFFFAOYSA-N 0 0 411.292 4.070 20 5 HIBDRN COc1cc(CN(C)c2cc(C(F)(F)F)ncc2[N+](=O)[O-])ccc1OC(F)F ZINC000573880799 948318846 /nfs/dbraw/zinc/31/88/46/948318846.db2.gz QWFIHVAYCGQOJD-UHFFFAOYSA-N 0 0 407.295 4.255 20 5 HIBDRN C[C@@H](C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000573992567 948342721 /nfs/dbraw/zinc/34/27/21/948342721.db2.gz WHNWRBHFQFWYFD-NEPJUHHUSA-N 0 0 400.822 4.279 20 5 HIBDRN CC(C)(NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccccc1[N+](=O)[O-] ZINC000574303452 948406557 /nfs/dbraw/zinc/40/65/57/948406557.db2.gz NYLANODFXSYIRZ-UHFFFAOYSA-N 0 0 424.526 4.472 20 5 HIBDRN C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000574489314 948457618 /nfs/dbraw/zinc/45/76/18/948457618.db2.gz HOBZEEDSCZDRQN-CYBMUJFWSA-N 0 0 414.849 4.178 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000574569873 948480582 /nfs/dbraw/zinc/48/05/82/948480582.db2.gz OWWWIIZZANSUGS-UHFFFAOYSA-N 0 0 416.384 4.310 20 5 HIBDRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574809057 948534575 /nfs/dbraw/zinc/53/45/75/948534575.db2.gz UNPKDVRLUUVRFS-OPAMFIHVSA-N 0 0 420.465 4.142 20 5 HIBDRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574809056 948535206 /nfs/dbraw/zinc/53/52/06/948535206.db2.gz UNPKDVRLUUVRFS-KSFYIVLOSA-N 0 0 420.465 4.142 20 5 HIBDRN O=C(CCCc1ncc(-c2ccccc2)o1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000575021293 948574509 /nfs/dbraw/zinc/57/45/09/948574509.db2.gz XBCAKDZQUHNUQR-UHFFFAOYSA-N 0 0 418.453 4.413 20 5 HIBDRN Cc1c(NC(=O)C(=O)NC2(c3ccc(Cl)cc3)CCCC2)cccc1[N+](=O)[O-] ZINC000575032547 948579903 /nfs/dbraw/zinc/57/99/03/948579903.db2.gz QHXURAOUFMHIGV-UHFFFAOYSA-N 0 0 401.850 4.081 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000575089782 948589870 /nfs/dbraw/zinc/58/98/70/948589870.db2.gz ZTERIJJWJDRPET-UHFFFAOYSA-N 0 0 406.467 4.481 20 5 HIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000575156468 948607514 /nfs/dbraw/zinc/60/75/14/948607514.db2.gz WBCNRLFBWHCRJD-UHFFFAOYSA-N 0 0 419.428 4.316 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nccn1CCCc1ccccc1 ZINC000575168526 948619812 /nfs/dbraw/zinc/61/98/12/948619812.db2.gz ULXLVUWAIUDODA-UHFFFAOYSA-N 0 0 407.474 4.308 20 5 HIBDRN CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ncc2c(n1)-c1ccccc1SC2 ZINC000575214430 948632301 /nfs/dbraw/zinc/63/23/01/948632301.db2.gz DSMZKCZSLRSIAJ-UHFFFAOYSA-N 0 0 424.507 4.413 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2cnc3scc(C)c3c2=O)cc1OC ZINC000575839747 948733753 /nfs/dbraw/zinc/73/37/53/948733753.db2.gz XFGXQDLEYFRKCU-LBPRGKRZSA-N 0 0 417.487 4.156 20 5 HIBDRN CCOc1cccc(N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1[N+](=O)[O-] ZINC000575846151 948741404 /nfs/dbraw/zinc/74/14/04/948741404.db2.gz NGMXUSBKTYXLPD-MRXNPFEDSA-N 0 0 409.442 4.139 20 5 HIBDRN Cc1cc(NCc2cccc(CS(C)(=O)=O)c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575876242 948746742 /nfs/dbraw/zinc/74/67/42/948746742.db2.gz NHLYKEDZOTVZAY-UHFFFAOYSA-N 0 0 402.394 4.079 20 5 HIBDRN COc1cc(C(=O)NC[C@H]2CCCCC(F)(F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000575891365 948753435 /nfs/dbraw/zinc/75/34/35/948753435.db2.gz ZGPHETOQNQZVHK-JTQLQIEISA-N 0 0 408.348 4.150 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)Nc1cc(C2CC2)ccn1)c1ccccc1[N+](=O)[O-] ZINC000575930796 948786856 /nfs/dbraw/zinc/78/68/56/948786856.db2.gz IQOKVJHAOBTBIT-KRWDZBQOSA-N 0 0 412.446 4.072 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4CCCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164420025 718905536 /nfs/dbraw/zinc/90/55/36/718905536.db2.gz FUZRKWRRODICFI-SUMWQHHRSA-N 0 0 424.835 4.255 20 5 HIBDRN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000435931550 861190728 /nfs/dbraw/zinc/19/07/28/861190728.db2.gz XEQXZEKHSVIIQG-HZPDHXFCSA-N 0 0 414.220 4.163 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@@H](c2ccccc2)C1 ZINC000435936023 861196766 /nfs/dbraw/zinc/19/67/66/861196766.db2.gz FJAGHFVGPULZFM-HXUWFJFHSA-N 0 0 402.425 4.034 20 5 HIBDRN O=C(NCc1ccccc1OC(F)F)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435949902 861213973 /nfs/dbraw/zinc/21/39/73/861213973.db2.gz OIAXLWZYELXCML-UHFFFAOYSA-N 0 0 412.367 4.352 20 5 HIBDRN Nc1c(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000435962265 861222950 /nfs/dbraw/zinc/22/29/50/861222950.db2.gz DEBCEJUZILOAAQ-CQSZACIVSA-N 0 0 408.227 4.056 20 5 HIBDRN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435993491 861273171 /nfs/dbraw/zinc/27/31/71/861273171.db2.gz VHUMXENOPHSGIK-KRWDZBQOSA-N 0 0 411.487 4.302 20 5 HIBDRN CC1=C[C@H](C)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000436005279 861292278 /nfs/dbraw/zinc/29/22/78/861292278.db2.gz GOMYAVCQHIIEFL-ZDUSSCGKSA-N 0 0 411.424 4.255 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000436015727 861308724 /nfs/dbraw/zinc/30/87/24/861308724.db2.gz WQBQSHLCZFOYOL-UHFFFAOYSA-N 0 0 423.860 4.269 20 5 HIBDRN COc1ccc(CNC(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)cc1[N+](=O)[O-] ZINC000436033772 861327218 /nfs/dbraw/zinc/32/72/18/861327218.db2.gz MHHLFUDCCBAGLZ-UHFFFAOYSA-N 0 0 424.457 4.142 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(Cl)c1F ZINC000436042195 861332291 /nfs/dbraw/zinc/33/22/91/861332291.db2.gz GBHXYCRBFGBMFJ-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436077262 861357305 /nfs/dbraw/zinc/35/73/05/861357305.db2.gz URLVYYNCASVKQB-IBGZPJMESA-N 0 0 414.461 4.491 20 5 HIBDRN O=C(Nc1cnn(Cc2ccccc2)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436079228 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CC[C@@H](C)c1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000012906518 845897250 /nfs/dbraw/zinc/89/72/50/845897250.db2.gz PDAWNGMKDLHRDZ-HUUCEWRRSA-N 0 0 400.431 4.058 20 5 HIBDRN CC[C@@H](C)c1ccccc1OCC(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000012906389 845897322 /nfs/dbraw/zinc/89/73/22/845897322.db2.gz NFVLGKVNMUCEAZ-KGLIPLIRSA-N 0 0 418.421 4.197 20 5 HIBDRN C[C@@H](OC(=O)CCc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012951508 845899322 /nfs/dbraw/zinc/89/93/22/845899322.db2.gz VLTPZIFQULFEMU-LLVKDONJSA-N 0 0 411.241 4.405 20 5 HIBDRN COc1ccc([C@@H]2CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C2)cc1 ZINC000436313006 861618010 /nfs/dbraw/zinc/61/80/10/861618010.db2.gz LCIJHYPFQWMHIX-MRXNPFEDSA-N 0 0 416.452 4.459 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1Br ZINC000013958033 845920106 /nfs/dbraw/zinc/92/01/06/845920106.db2.gz JNTMPZKFXHYQQK-UHFFFAOYSA-N 0 0 414.053 4.301 20 5 HIBDRN COc1ccc(CC[C@@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000436317133 861620554 /nfs/dbraw/zinc/62/05/54/861620554.db2.gz KVEDBJJCGKQFER-MRXNPFEDSA-N 0 0 400.478 4.441 20 5 HIBDRN O=C(OCc1ccccc1OC(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014132499 845926964 /nfs/dbraw/zinc/92/69/64/845926964.db2.gz VQOSLMBGRYANCL-UHFFFAOYSA-N 0 0 406.385 4.156 20 5 HIBDRN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000014266607 845932819 /nfs/dbraw/zinc/93/28/19/845932819.db2.gz FBUZXWSFLPXRBH-UHFFFAOYSA-N 0 0 406.776 4.332 20 5 HIBDRN COc1cccc(OC)c1Oc1ccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)cn1 ZINC000436318718 861622385 /nfs/dbraw/zinc/62/23/85/861622385.db2.gz BYPHJPQICZYDEF-UHFFFAOYSA-N 0 0 422.441 4.379 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000014375906 845943680 /nfs/dbraw/zinc/94/36/80/845943680.db2.gz ICFFRBGZYYJKQQ-MRXNPFEDSA-N 0 0 424.375 4.426 20 5 HIBDRN Cc1c2ccccc2oc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000014377399 845944091 /nfs/dbraw/zinc/94/40/91/845944091.db2.gz PTRWFELNDURYDI-KRWDZBQOSA-N 0 0 410.426 4.462 20 5 HIBDRN COC(=O)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000014658963 845966761 /nfs/dbraw/zinc/96/67/61/845966761.db2.gz NHQIBJKOCXMGCI-UHFFFAOYSA-N 0 0 417.830 4.411 20 5 HIBDRN CC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)nc1-c1ccccc1 ZINC000014657754 845967014 /nfs/dbraw/zinc/96/70/14/845967014.db2.gz CQHLXKKWBAGQBN-UHFFFAOYSA-N 0 0 410.455 4.239 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCOc1ccc(Cl)cc1 ZINC000014729741 845975594 /nfs/dbraw/zinc/97/55/94/845975594.db2.gz NPWVJBUCWVSPCC-UHFFFAOYSA-N 0 0 406.869 4.003 20 5 HIBDRN COC(=O)c1cc(Br)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014786192 845979073 /nfs/dbraw/zinc/97/90/73/845979073.db2.gz RNDRBDAUTAKKCN-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000014867307 845987660 /nfs/dbraw/zinc/98/76/60/845987660.db2.gz SNUKOVORONDJIE-UHFFFAOYSA-N 0 0 423.498 4.311 20 5 HIBDRN CCOc1ccc(NC(=O)CNc2ccc(Br)c(C)c2)c([N+](=O)[O-])c1 ZINC000015122553 846011082 /nfs/dbraw/zinc/01/10/82/846011082.db2.gz WRLGWFJZSPJPGZ-UHFFFAOYSA-N 0 0 408.252 4.115 20 5 HIBDRN COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000015313339 846033113 /nfs/dbraw/zinc/03/31/13/846033113.db2.gz WMOSQEDZLMQDFU-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1[N+](=O)[O-] ZINC000015359199 846039739 /nfs/dbraw/zinc/03/97/39/846039739.db2.gz YUVKVERVXZGBDH-UHFFFAOYSA-N 0 0 420.424 4.308 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000015362225 846040978 /nfs/dbraw/zinc/04/09/78/846040978.db2.gz RYPQNFLLNRTDDZ-GOSISDBHSA-N 0 0 420.537 4.363 20 5 HIBDRN Cc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1[N+](=O)[O-] ZINC000015409756 846044987 /nfs/dbraw/zinc/04/49/87/846044987.db2.gz UJUYFXSCRFGGCX-UHFFFAOYSA-N 0 0 403.847 4.140 20 5 HIBDRN O=C(NCCCSc1ccc(F)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000015496963 846053741 /nfs/dbraw/zinc/05/37/41/846053741.db2.gz UOKQFDRAAZGEBB-UHFFFAOYSA-N 0 0 413.268 4.409 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000015561932 846063044 /nfs/dbraw/zinc/06/30/44/846063044.db2.gz SMHOXMMZPKVQIK-LLVKDONJSA-N 0 0 417.878 4.019 20 5 HIBDRN CCOc1ccc(OCC)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000015597289 846070512 /nfs/dbraw/zinc/07/05/12/846070512.db2.gz TVOZRKXZJMTTIF-UHFFFAOYSA-N 0 0 413.474 4.247 20 5 HIBDRN Cc1ccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1[N+](=O)[O-] ZINC000015629567 846076067 /nfs/dbraw/zinc/07/60/67/846076067.db2.gz HQVTXEFBNUWGQU-UHFFFAOYSA-N 0 0 400.438 4.482 20 5 HIBDRN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1[N+](=O)[O-] ZINC000015647944 846079762 /nfs/dbraw/zinc/07/97/62/846079762.db2.gz DVVAWRCBQGSXIM-UHFFFAOYSA-N 0 0 410.257 4.393 20 5 HIBDRN O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000015651287 846080277 /nfs/dbraw/zinc/08/02/77/846080277.db2.gz VJIUGDXJNZYMQM-UHFFFAOYSA-N 0 0 407.392 4.186 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl ZINC000015683242 846082458 /nfs/dbraw/zinc/08/24/58/846082458.db2.gz OAEOOAJGMUBGNJ-CYBMUJFWSA-N 0 0 417.849 4.032 20 5 HIBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1OC(F)F ZINC000015710093 846086203 /nfs/dbraw/zinc/08/62/03/846086203.db2.gz CKFYBFTXBGOVKS-VIFPVBQESA-N 0 0 414.748 4.034 20 5 HIBDRN CCCOc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OCCC ZINC000015726844 846088109 /nfs/dbraw/zinc/08/81/09/846088109.db2.gz RDCGPBZYWSVEHF-UHFFFAOYSA-N 0 0 416.430 4.196 20 5 HIBDRN Cc1c(NC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)cccc1[N+](=O)[O-] ZINC000015790854 846092273 /nfs/dbraw/zinc/09/22/73/846092273.db2.gz QIAHPNIYAPYYFH-UHFFFAOYSA-N 0 0 417.421 4.071 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000015800745 846092870 /nfs/dbraw/zinc/09/28/70/846092870.db2.gz NVETUYRGMJJWSS-GFCCVEGCSA-N 0 0 421.247 4.158 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000015801219 846093263 /nfs/dbraw/zinc/09/32/63/846093263.db2.gz NMHHQCPHWWMNKU-JTQLQIEISA-N 0 0 411.277 4.485 20 5 HIBDRN CCOC(=O)[C@@H]1CC[C@H](NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000436335090 861641532 /nfs/dbraw/zinc/64/15/32/861641532.db2.gz LWBYHQJYPJNAMK-ZBFHGGJFSA-N 0 0 413.430 4.240 20 5 HIBDRN Cc1ccccc1SCC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000016144709 846129862 /nfs/dbraw/zinc/12/98/62/846129862.db2.gz HEOQHAFEARUMKQ-QGZVFWFLSA-N 0 0 416.499 4.195 20 5 HIBDRN COc1cc(CCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000016143558 846129874 /nfs/dbraw/zinc/12/98/74/846129874.db2.gz TYYVSBOTQVLFRZ-LBPRGKRZSA-N 0 0 424.906 4.105 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(-c2ccccc2)nc1C ZINC000016166290 846132567 /nfs/dbraw/zinc/13/25/67/846132567.db2.gz BOONTADQVFLBBP-UHFFFAOYSA-N 0 0 405.410 4.069 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)cc([N+](=O)[O-])c1 ZINC000016176124 846134276 /nfs/dbraw/zinc/13/42/76/846134276.db2.gz JAYIENNPHJWTPU-FQEVSTJZSA-N 0 0 412.442 4.148 20 5 HIBDRN COCc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)o1 ZINC000016197499 846137257 /nfs/dbraw/zinc/13/72/57/846137257.db2.gz SJXYKFJRUZOZGX-HXUWFJFHSA-N 0 0 424.409 4.179 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(I)c2)c1 ZINC000016226415 846139076 /nfs/dbraw/zinc/13/90/76/846139076.db2.gz QHOVXRVTPLHSQF-UHFFFAOYSA-N 0 0 414.224 4.174 20 5 HIBDRN Cn1ccnc1[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000016261696 846143340 /nfs/dbraw/zinc/14/33/40/846143340.db2.gz AKPFSDWKAMOFNJ-INIZCTEOSA-N 0 0 405.241 4.155 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc([N+](=O)[O-])c1 ZINC000016299148 846148999 /nfs/dbraw/zinc/14/89/99/846148999.db2.gz QTVWDDXIWNKAAR-MRXNPFEDSA-N 0 0 420.874 4.392 20 5 HIBDRN O=C(COC(=O)c1occc1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016537436 846181049 /nfs/dbraw/zinc/18/10/49/846181049.db2.gz XZMSXGHORLNSJM-UHFFFAOYSA-N 0 0 400.774 4.304 20 5 HIBDRN CCOc1ccc(-c2nc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)cs2)cc1 ZINC000016564867 846185758 /nfs/dbraw/zinc/18/57/58/846185758.db2.gz ZUHKUDDPVYFZEC-UHFFFAOYSA-N 0 0 424.526 4.439 20 5 HIBDRN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000016594685 846188269 /nfs/dbraw/zinc/18/82/69/846188269.db2.gz VQZUUNLKCWZSTE-UHFFFAOYSA-N 0 0 418.453 4.358 20 5 HIBDRN Cc1sc2nc(C)nc(Sc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c2c1C ZINC000016737849 846204244 /nfs/dbraw/zinc/20/42/44/846204244.db2.gz BBCSZOHYFPWIDW-UHFFFAOYSA-N 0 0 409.514 4.079 20 5 HIBDRN Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000017370012 846251222 /nfs/dbraw/zinc/25/12/22/846251222.db2.gz VDDBJIZLCGAIKJ-UHFFFAOYSA-N 0 0 416.777 4.008 20 5 HIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017529009 846257479 /nfs/dbraw/zinc/25/74/79/846257479.db2.gz NCYHLUZZIWFLDO-SECBINFHSA-N 0 0 418.749 4.124 20 5 HIBDRN C[C@H](OC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000017751181 846268931 /nfs/dbraw/zinc/26/89/31/846268931.db2.gz RIIOWVSWOSLFSS-QMMMGPOBSA-N 0 0 401.177 4.225 20 5 HIBDRN Cc1nc(-c2cccs2)sc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000017831186 846270698 /nfs/dbraw/zinc/27/06/98/846270698.db2.gz HHOXUXGJQVPONX-LLVKDONJSA-N 0 0 417.468 4.272 20 5 HIBDRN O=C(COC(=O)c1csc(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017984129 846282531 /nfs/dbraw/zinc/28/25/31/846282531.db2.gz LKIDPWHDIQMEBD-UHFFFAOYSA-N 0 0 417.830 4.167 20 5 HIBDRN COc1ccc2cc(/C=C/C(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])ccc2c1 ZINC000018019373 846285268 /nfs/dbraw/zinc/28/52/68/846285268.db2.gz IVGXADRJXVGBCS-YRNVUSSQSA-N 0 0 420.421 4.260 20 5 HIBDRN COc1ccccc1CN(C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000018076543 846291588 /nfs/dbraw/zinc/29/15/88/846291588.db2.gz LNMIMCXQXSKSSE-UHFFFAOYSA-N 0 0 411.380 4.083 20 5 HIBDRN CC(C)C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000018131353 846299926 /nfs/dbraw/zinc/29/99/26/846299926.db2.gz HKQIJMRHNCNHEN-SFHVURJKSA-N 0 0 411.458 4.187 20 5 HIBDRN Cc1cccc(C(=O)OCc2nnc(-c3ccc(Br)s3)o2)c1[N+](=O)[O-] ZINC000018423318 846325440 /nfs/dbraw/zinc/32/54/40/846325440.db2.gz SHEQNLJEEBKADV-UHFFFAOYSA-N 0 0 424.232 4.134 20 5 HIBDRN COc1ccc(C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC000018704817 846337457 /nfs/dbraw/zinc/33/74/57/846337457.db2.gz IPERCQDWJOXQDM-NRFANRHFSA-N 0 0 406.438 4.326 20 5 HIBDRN Cc1nc(-c2ccccc2)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000018765574 846340495 /nfs/dbraw/zinc/34/04/95/846340495.db2.gz KCLNEZXFGVOHCZ-GFCCVEGCSA-N 0 0 411.439 4.211 20 5 HIBDRN Cc1nc(-c2ccccc2)c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000018765008 846340686 /nfs/dbraw/zinc/34/06/86/846340686.db2.gz MJHOXRQALYQDNZ-GFCCVEGCSA-N 0 0 411.439 4.211 20 5 HIBDRN COc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000436349259 861666276 /nfs/dbraw/zinc/66/62/76/861666276.db2.gz BYXANYMOESMIQC-CQSZACIVSA-N 0 0 412.364 4.344 20 5 HIBDRN C[C@@H](OC(=O)/C=C/Sc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000018803889 846343065 /nfs/dbraw/zinc/34/30/65/846343065.db2.gz SDKDKCBHBRPECG-BZYZDCJZSA-N 0 0 406.847 4.424 20 5 HIBDRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000018941761 846347647 /nfs/dbraw/zinc/34/76/47/846347647.db2.gz KFCVHUFYVALGPE-CQSZACIVSA-N 0 0 410.499 4.411 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2cccc3ccccc32)cc1OC ZINC000018969141 846350695 /nfs/dbraw/zinc/35/06/95/846350695.db2.gz KRSHJJPQNCCLNV-UHFFFAOYSA-N 0 0 409.394 4.195 20 5 HIBDRN O=C(COC(=O)c1csc(-c2cccs2)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000019258197 846360720 /nfs/dbraw/zinc/36/07/20/846360720.db2.gz WZWFWRJCNLQJGN-UHFFFAOYSA-N 0 0 423.859 4.229 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000019284730 846361135 /nfs/dbraw/zinc/36/11/35/846361135.db2.gz ITRAKFGXVJFEQD-OAQYLSRUSA-N 0 0 420.421 4.449 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000019284600 846361295 /nfs/dbraw/zinc/36/12/95/846361295.db2.gz CSEOQFLBHOEANA-SECBINFHSA-N 0 0 413.213 4.094 20 5 HIBDRN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000019355749 846363124 /nfs/dbraw/zinc/36/31/24/846363124.db2.gz GGMGVMQCOOXEBZ-OAQYLSRUSA-N 0 0 405.410 4.037 20 5 HIBDRN CCOc1cc(C(=O)OCc2cccc(Br)c2)c([N+](=O)[O-])cc1OC ZINC000019473721 846364964 /nfs/dbraw/zinc/36/49/64/846364964.db2.gz DEBPBHFCUXSBSX-UHFFFAOYSA-N 0 0 410.220 4.122 20 5 HIBDRN C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020751826 846388386 /nfs/dbraw/zinc/38/83/86/846388386.db2.gz DJASZTWTVOLCNZ-ZETCQYMHSA-N 0 0 418.620 4.134 20 5 HIBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000020892705 846393755 /nfs/dbraw/zinc/39/37/55/846393755.db2.gz ORLPLKOXIFJZKJ-UHFFFAOYSA-N 0 0 421.434 4.163 20 5 HIBDRN Cc1cc(C(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)n1C1CC1 ZINC000021247190 846420805 /nfs/dbraw/zinc/42/08/05/846420805.db2.gz QHIWJOSSNTZBBG-UHFFFAOYSA-N 0 0 421.247 4.150 20 5 HIBDRN CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000436354373 861678580 /nfs/dbraw/zinc/67/85/80/861678580.db2.gz QCFWPZVVSMNPEO-HXUWFJFHSA-N 0 0 417.487 4.056 20 5 HIBDRN Cc1cc(OC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c(C(C)C)cc1Cl ZINC000021597793 846468439 /nfs/dbraw/zinc/46/84/39/846468439.db2.gz RTGYDQHQAQWOQZ-UHFFFAOYSA-N 0 0 418.833 4.011 20 5 HIBDRN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021684748 846482833 /nfs/dbraw/zinc/48/28/33/846482833.db2.gz PVWQKDQJCQMLOT-CQSZACIVSA-N 0 0 423.498 4.231 20 5 HIBDRN C[C@H](Sc1ncnc2sc3c(c21)CCC3)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021682265 846482993 /nfs/dbraw/zinc/48/29/93/846482993.db2.gz DKUXIHFESVBWPX-JTQLQIEISA-N 0 0 400.485 4.208 20 5 HIBDRN C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021683403 846483220 /nfs/dbraw/zinc/48/32/20/846483220.db2.gz BTYNXKOOLZHHAT-ZDUSSCGKSA-N 0 0 409.471 4.172 20 5 HIBDRN C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021689953 846484146 /nfs/dbraw/zinc/48/41/46/846484146.db2.gz KJFFXUHAQKGPBC-SNVBAGLBSA-N 0 0 419.463 4.448 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000021740920 846489467 /nfs/dbraw/zinc/48/94/67/846489467.db2.gz LNRVLGPNPXWAQI-CHWSQXEVSA-N 0 0 422.890 4.149 20 5 HIBDRN C[C@@H]1CCc2nc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)sc2C1 ZINC000021799173 846496710 /nfs/dbraw/zinc/49/67/10/846496710.db2.gz UOWLNMBBRPOIBD-CYBMUJFWSA-N 0 0 400.504 4.031 20 5 HIBDRN C[C@H](Sc1nccn1C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000021830881 846499780 /nfs/dbraw/zinc/49/97/80/846499780.db2.gz SLPRKZCIIZDAKP-NSHDSACASA-N 0 0 415.500 4.369 20 5 HIBDRN CC(C)(C)c1ccc(SCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000021858557 846503552 /nfs/dbraw/zinc/50/35/52/846503552.db2.gz MKQUKTMMKZJKSZ-UHFFFAOYSA-N 0 0 402.472 4.166 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1c(F)cccc1Cl ZINC000021922000 846511580 /nfs/dbraw/zinc/51/15/80/846511580.db2.gz XWUQVBVZZFJMGJ-SNVBAGLBSA-N 0 0 400.237 4.500 20 5 HIBDRN COc1c(Br)c([N+](=O)[O-])c(NCCc2ccccc2F)cc1[N+](=O)[O-] ZINC000022006345 846519568 /nfs/dbraw/zinc/51/95/68/846519568.db2.gz BFTXCFQZADBPLE-UHFFFAOYSA-N 0 0 414.187 4.068 20 5 HIBDRN CCSc1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000022041969 846524273 /nfs/dbraw/zinc/52/42/73/846524273.db2.gz SCWJJLUZFLXKMX-ZETCQYMHSA-N 0 0 404.926 4.331 20 5 HIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000022161711 846538608 /nfs/dbraw/zinc/53/86/08/846538608.db2.gz JSDAWZOQJHQSGI-RYUDHWBXSA-N 0 0 422.890 4.393 20 5 HIBDRN Cc1sc2nc(C)nc(SCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)c2c1C ZINC000022167828 846539760 /nfs/dbraw/zinc/53/97/60/846539760.db2.gz PUALYGCTHDZRRP-UHFFFAOYSA-N 0 0 414.512 4.206 20 5 HIBDRN CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000022184023 846541799 /nfs/dbraw/zinc/54/17/99/846541799.db2.gz KJJNUWWCPRFHCD-LLVKDONJSA-N 0 0 421.247 4.104 20 5 HIBDRN C[C@H](OC(=O)CSc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000022214752 846545681 /nfs/dbraw/zinc/54/56/81/846545681.db2.gz DZWHSGAHHPFXDD-JTQLQIEISA-N 0 0 412.826 4.050 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000022243566 846549184 /nfs/dbraw/zinc/54/91/84/846549184.db2.gz HOEDRQPNKZITMS-LBPRGKRZSA-N 0 0 417.849 4.315 20 5 HIBDRN CCSc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000022297517 846555463 /nfs/dbraw/zinc/55/54/63/846555463.db2.gz YDGGFYASNNZARN-SSDOTTSWSA-N 0 0 404.926 4.331 20 5 HIBDRN COc1ccccc1N(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 ZINC000022351112 846559123 /nfs/dbraw/zinc/55/91/23/846559123.db2.gz MPVOVPWDZTYUGQ-UHFFFAOYSA-N 0 0 416.430 4.138 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000022469364 846575366 /nfs/dbraw/zinc/57/53/66/846575366.db2.gz PRPIPRSJZDBYPD-VXGBXAGGSA-N 0 0 416.817 4.417 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000022468478 846575480 /nfs/dbraw/zinc/57/54/80/846575480.db2.gz GZGDWFXKZVCEMF-QWRGUYRKSA-N 0 0 411.241 4.324 20 5 HIBDRN C[C@H](OC(=O)c1cccnc1Sc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000022672302 846600883 /nfs/dbraw/zinc/60/08/83/846600883.db2.gz QCCGRNFKTHNBQM-AWEZNQCLSA-N 0 0 423.450 4.325 20 5 HIBDRN Cc1c(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000022911353 846636260 /nfs/dbraw/zinc/63/62/60/846636260.db2.gz XXKZRAHBYUUXRN-JKSUJKDBSA-N 0 0 406.438 4.479 20 5 HIBDRN COc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000022907792 846636591 /nfs/dbraw/zinc/63/65/91/846636591.db2.gz QTHZIEWPBQFPNH-HUUCEWRRSA-N 0 0 422.437 4.179 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000022941156 846639808 /nfs/dbraw/zinc/63/98/08/846639808.db2.gz AETXFOHGYOFZDE-HZPDHXFCSA-N 0 0 406.438 4.100 20 5 HIBDRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c12 ZINC000023015120 846647997 /nfs/dbraw/zinc/64/79/97/846647997.db2.gz MJPQHNDLIQSECQ-UHFFFAOYSA-N 0 0 407.455 4.474 20 5 HIBDRN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)CC3 ZINC000023134777 846662913 /nfs/dbraw/zinc/66/29/13/846662913.db2.gz RLMSMFRIPZICBF-UHFFFAOYSA-N 0 0 404.470 4.183 20 5 HIBDRN CN(C(=O)COc1cc(F)ccc1[N+](=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000023209827 846670349 /nfs/dbraw/zinc/67/03/49/846670349.db2.gz JAIBKXOKKFIJIV-JOCHJYFZSA-N 0 0 412.392 4.500 20 5 HIBDRN C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N1CCc2sccc2C1 ZINC000023213915 846671387 /nfs/dbraw/zinc/67/13/87/846671387.db2.gz SKESFMCJLJWPAM-SNVBAGLBSA-N 0 0 405.526 4.332 20 5 HIBDRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000023291445 846681967 /nfs/dbraw/zinc/68/19/67/846681967.db2.gz IPTBAPKJXZKFPU-OAQYLSRUSA-N 0 0 405.362 4.105 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1[N+](=O)[O-] ZINC000023607287 846728617 /nfs/dbraw/zinc/72/86/17/846728617.db2.gz MEOOCCKXMSNCBH-UHFFFAOYSA-N 0 0 420.560 4.430 20 5 HIBDRN COc1ccccc1CN(Cc1cccs1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000023660720 846737085 /nfs/dbraw/zinc/73/70/85/846737085.db2.gz IUGAALXEGNMVPB-UHFFFAOYSA-N 0 0 412.467 4.273 20 5 HIBDRN CCN(CC)C(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000023988999 846769505 /nfs/dbraw/zinc/76/95/05/846769505.db2.gz BJIIXHZDCQYWSF-CYBMUJFWSA-N 0 0 420.849 4.454 20 5 HIBDRN COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 ZINC000023995037 846769784 /nfs/dbraw/zinc/76/97/84/846769784.db2.gz UABURLVTCMDJSF-UHFFFAOYSA-N 0 0 405.454 4.188 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1csc2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000024482681 846830284 /nfs/dbraw/zinc/83/02/84/846830284.db2.gz JJEFHIKUJLEFAO-QGZVFWFLSA-N 0 0 416.499 4.348 20 5 HIBDRN COc1ccc(Cl)cc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000024620144 846844401 /nfs/dbraw/zinc/84/44/01/846844401.db2.gz FUMOCMOXDJPAJW-UHFFFAOYSA-N 0 0 403.866 4.129 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000024620147 846844554 /nfs/dbraw/zinc/84/45/54/846844554.db2.gz FDZAMDYKBAPFIQ-GOSISDBHSA-N 0 0 418.877 4.380 20 5 HIBDRN CC(=O)N(c1nc(COC(=O)c2ccc([N+](=O)[O-])s2)cs1)c1ccccc1F ZINC000024852488 846877267 /nfs/dbraw/zinc/87/72/67/846877267.db2.gz CCAKJXBGMSQQAD-UHFFFAOYSA-N 0 0 421.431 4.294 20 5 HIBDRN CNC(=O)c1ccc(C)c(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000024921177 846889769 /nfs/dbraw/zinc/88/97/69/846889769.db2.gz BUYDKETWMDZVJN-UHFFFAOYSA-N 0 0 418.453 4.127 20 5 HIBDRN O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1Cl ZINC000024953077 846895976 /nfs/dbraw/zinc/89/59/76/846895976.db2.gz GSYFQQHBZMKHEC-UHFFFAOYSA-N 0 0 415.254 4.176 20 5 HIBDRN CSc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000024998034 846901931 /nfs/dbraw/zinc/90/19/31/846901931.db2.gz KURSKGMOXLYDSP-QWHCGFSZSA-N 0 0 420.512 4.368 20 5 HIBDRN Cc1cccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C ZINC000024997453 846901960 /nfs/dbraw/zinc/90/19/60/846901960.db2.gz TWEBMROGVZPOJB-GJZGRUSLSA-N 0 0 402.472 4.263 20 5 HIBDRN CCc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000024997927 846902073 /nfs/dbraw/zinc/90/20/73/846902073.db2.gz LDEJVPBDUMZJJL-UONOGXRCSA-N 0 0 402.472 4.208 20 5 HIBDRN O=C(Nc1ccccc1-n1cncn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000025000758 846902156 /nfs/dbraw/zinc/90/21/56/846902156.db2.gz WTZCFVCGARAXDX-UHFFFAOYSA-N 0 0 414.425 4.040 20 5 HIBDRN CC(C)(C)c1ccccc1NC(=O)COC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000025054202 846913960 /nfs/dbraw/zinc/91/39/60/846913960.db2.gz LKEMAAYONHZSNM-UHFFFAOYSA-N 0 0 402.472 4.166 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000025091124 846923750 /nfs/dbraw/zinc/92/37/50/846923750.db2.gz ZSGKRQBFVWHNQD-GJZGRUSLSA-N 0 0 417.535 4.209 20 5 HIBDRN O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000025123401 846931573 /nfs/dbraw/zinc/93/15/73/846931573.db2.gz FEOJLXROEDFRNX-UHFFFAOYSA-N 0 0 424.269 4.213 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000025297085 846953942 /nfs/dbraw/zinc/95/39/42/846953942.db2.gz CIEICEGVWHOSBE-CYBMUJFWSA-N 0 0 405.401 4.287 20 5 HIBDRN C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)N1CCc2sccc2C1 ZINC000025374411 846970235 /nfs/dbraw/zinc/97/02/35/846970235.db2.gz WEWYSGIZYHJPEK-NSHDSACASA-N 0 0 416.480 4.001 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)CCc1cc2ccccc2o1)c1ccccc1[N+](=O)[O-] ZINC000025386588 846971445 /nfs/dbraw/zinc/97/14/45/846971445.db2.gz HNLQWVJUCMVUEH-LJQANCHMSA-N 0 0 424.453 4.473 20 5 HIBDRN Cc1sc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1[N+](=O)[O-] ZINC000025551745 847000003 /nfs/dbraw/zinc/00/00/03/847000003.db2.gz OWNJTNJXDTYWIJ-UHFFFAOYSA-N 0 0 420.288 4.407 20 5 HIBDRN O=c1[nH]cnc2cc(NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c([N+](=O)[O-])cc12 ZINC000025573278 847003946 /nfs/dbraw/zinc/00/39/46/847003946.db2.gz XZLQFEHJVSDZEQ-YUMQZZPRSA-N 0 0 424.301 4.153 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1OC ZINC000025613815 847007192 /nfs/dbraw/zinc/00/71/92/847007192.db2.gz YDSYMYWPVIKVPB-HNNXBMFYSA-N 0 0 402.472 4.311 20 5 HIBDRN Cc1cc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)on1 ZINC000025797768 847039130 /nfs/dbraw/zinc/03/91/30/847039130.db2.gz SLLAGDLILCFNSZ-UHFFFAOYSA-N 0 0 418.409 4.030 20 5 HIBDRN COc1ccc(-c2nc(C(=O)OCc3ccccc3[N+](=O)[O-])cs2)cc1OC ZINC000025841720 847045149 /nfs/dbraw/zinc/04/51/49/847045149.db2.gz SLDPUUNGXYNJDV-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN NC(=O)c1cc(Oc2cccc(Oc3cc(C(F)(F)F)ncc3[N+](=O)[O-])c2)ccn1 ZINC000436400995 861748109 /nfs/dbraw/zinc/74/81/09/861748109.db2.gz SCFRHUVDYVEZQE-UHFFFAOYSA-N 0 0 420.303 4.087 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000025906642 847055443 /nfs/dbraw/zinc/05/54/43/847055443.db2.gz SUDOVXFYTNCJPP-UHFFFAOYSA-N 0 0 403.744 4.326 20 5 HIBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ccccc1 ZINC000025985244 847067227 /nfs/dbraw/zinc/06/72/27/847067227.db2.gz KFQGDSRYZKEVRU-UHFFFAOYSA-N 0 0 405.410 4.146 20 5 HIBDRN O=C(NCCc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000026189068 847099602 /nfs/dbraw/zinc/09/96/02/847099602.db2.gz ABVTXEUOIQZZJI-UHFFFAOYSA-N 0 0 422.462 4.447 20 5 HIBDRN O=C(COC(=O)c1cc2ccc(F)cc2s1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000026221795 847106455 /nfs/dbraw/zinc/10/64/55/847106455.db2.gz LMCALLAQYAKVTG-UHFFFAOYSA-N 0 0 408.794 4.398 20 5 HIBDRN CN1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)Cc2ccccc21 ZINC000436406118 861754682 /nfs/dbraw/zinc/75/46/82/861754682.db2.gz CNRIIYYQWDUOOZ-UHFFFAOYSA-N 0 0 419.431 4.052 20 5 HIBDRN Cc1nc(NC(=O)[C@H](C)OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)sc1C ZINC000026342552 847128120 /nfs/dbraw/zinc/12/81/20/847128120.db2.gz VOMORMSDLGWMMK-NSHDSACASA-N 0 0 405.476 4.150 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026348934 847129791 /nfs/dbraw/zinc/12/97/91/847129791.db2.gz VQSMVTVCZOVYSB-JOCHJYFZSA-N 0 0 405.454 4.415 20 5 HIBDRN O=C(CCSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026369617 847135223 /nfs/dbraw/zinc/13/52/23/847135223.db2.gz BKCXPKFOGYLZMU-UHFFFAOYSA-N 0 0 423.498 4.233 20 5 HIBDRN COC(=O)c1ccc(F)c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000026497618 847158030 /nfs/dbraw/zinc/15/80/30/847158030.db2.gz FWUSVYYAKAQMTD-ZDUSSCGKSA-N 0 0 415.421 4.009 20 5 HIBDRN COC(=O)c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC000026499612 847160849 /nfs/dbraw/zinc/16/08/49/847160849.db2.gz REGIWBNGHYZEIZ-UHFFFAOYSA-N 0 0 415.421 4.009 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000026607980 847175882 /nfs/dbraw/zinc/17/58/82/847175882.db2.gz OAFQGFRZTLSRFR-AWEZNQCLSA-N 0 0 407.392 4.133 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)cc([N+](=O)[O-])c1 ZINC000026686233 847185968 /nfs/dbraw/zinc/18/59/68/847185968.db2.gz GXRGVFYAFHVXAQ-UHFFFAOYSA-N 0 0 400.431 4.330 20 5 HIBDRN COc1ccc(Cl)cc1CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000026713375 847188630 /nfs/dbraw/zinc/18/86/30/847188630.db2.gz HZLACVXURWBCOO-UHFFFAOYSA-N 0 0 412.877 4.127 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)COc2ccccc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000026709212 847188815 /nfs/dbraw/zinc/18/88/15/847188815.db2.gz RXQKWDFKJPTLTE-OAHLLOKOSA-N 0 0 414.458 4.150 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Oc1cc(Cl)ccc1Cl ZINC000026768290 847195494 /nfs/dbraw/zinc/19/54/94/847195494.db2.gz RTPQPBFHLPGJQW-UHFFFAOYSA-N 0 0 411.197 4.195 20 5 HIBDRN COCC(=O)Nc1cccc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000026775378 847195664 /nfs/dbraw/zinc/19/56/64/847195664.db2.gz LSDUBIPGRVJKDF-UHFFFAOYSA-N 0 0 419.437 4.023 20 5 HIBDRN O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026781622 847196570 /nfs/dbraw/zinc/19/65/70/847196570.db2.gz GNONEHUHOBJFRC-UHFFFAOYSA-N 0 0 417.727 4.046 20 5 HIBDRN CCCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000026867857 847211095 /nfs/dbraw/zinc/21/10/95/847211095.db2.gz XGJGYRITSUJCTD-UHFFFAOYSA-N 0 0 424.356 4.024 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000026888749 847216954 /nfs/dbraw/zinc/21/69/54/847216954.db2.gz AHIYJQGRPHTKEG-DHZHZOJOSA-N 0 0 422.268 4.402 20 5 HIBDRN COC(=O)CC[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 ZINC000436415326 861766663 /nfs/dbraw/zinc/76/66/63/861766663.db2.gz AKTCEOUCSVFFCX-HXUWFJFHSA-N 0 0 414.461 4.106 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000026975312 847228386 /nfs/dbraw/zinc/22/83/86/847228386.db2.gz CRXNZIOQXWAHEZ-CQSZACIVSA-N 0 0 412.829 4.376 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000027007365 847233425 /nfs/dbraw/zinc/23/34/25/847233425.db2.gz KPMKAQRABCDJBR-LSDHHAIUSA-N 0 0 422.437 4.179 20 5 HIBDRN O=C(OCc1cccc([N+](=O)[O-])c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000027018135 847235772 /nfs/dbraw/zinc/23/57/72/847235772.db2.gz VUPBZWSGRKYTTJ-UHFFFAOYSA-N 0 0 423.874 4.078 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccco3)n2)c1 ZINC000027224690 847268224 /nfs/dbraw/zinc/26/82/24/847268224.db2.gz RDXDRTQBKIATTP-UHFFFAOYSA-N 0 0 424.442 4.047 20 5 HIBDRN C[C@@H](NC(=O)COC(=O)CSc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000027737508 847345623 /nfs/dbraw/zinc/34/56/23/847345623.db2.gz MYUZLMFUYLNXAO-OAHLLOKOSA-N 0 0 424.478 4.261 20 5 HIBDRN Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2)cs1 ZINC000028036613 847376656 /nfs/dbraw/zinc/37/66/56/847376656.db2.gz NIBNOEGZGAPQTH-ZDUSSCGKSA-N 0 0 417.512 4.375 20 5 HIBDRN CCNc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000028136853 847387713 /nfs/dbraw/zinc/38/77/13/847387713.db2.gz LRGZPNFOHWJLNQ-UHFFFAOYSA-N 0 0 402.794 4.087 20 5 HIBDRN COc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])c(C)c3)cs2)c(OC)c1 ZINC000028183647 847392806 /nfs/dbraw/zinc/39/28/06/847392806.db2.gz SRAOSHFBFOXVCA-UHFFFAOYSA-N 0 0 414.439 4.401 20 5 HIBDRN CC(C)(C)c1csc(CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000436426519 861786123 /nfs/dbraw/zinc/78/61/23/861786123.db2.gz WXJRSPYFQWMXDU-UHFFFAOYSA-N 0 0 405.523 4.408 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1OC ZINC000028249934 847399447 /nfs/dbraw/zinc/39/94/47/847399447.db2.gz ZROCFTAGZFPPOZ-UHFFFAOYSA-N 0 0 413.455 4.302 20 5 HIBDRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)Nc1ccccc1F ZINC000028606624 847435294 /nfs/dbraw/zinc/43/52/94/847435294.db2.gz VCAKLMKSMVDICV-UHFFFAOYSA-N 0 0 423.400 4.142 20 5 HIBDRN O=C(COC(=O)C1(c2ccccc2)CCCC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000028611476 847436963 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MGZGYOBEMVJFRS-CYBMUJFWSA-N 0 0 403.508 4.263 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(C4CC4)n3-c3ccccc3)o2)cc1 ZINC000028797906 847461461 /nfs/dbraw/zinc/46/14/61/847461461.db2.gz WTVSCHLJKWWQGD-UHFFFAOYSA-N 0 0 420.454 4.395 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3n[nH]c(-c4ccc(Cl)cc4)n3)o2)cc1 ZINC000028807281 847463744 /nfs/dbraw/zinc/46/37/44/847463744.db2.gz ZBAKPLVHSYJBOW-UHFFFAOYSA-N 0 0 414.834 4.376 20 5 HIBDRN COc1cc(F)ccc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000028905635 847475871 /nfs/dbraw/zinc/47/58/71/847475871.db2.gz GSBFMHHRMCDLDZ-VIFPVBQESA-N 0 0 401.316 4.200 20 5 HIBDRN C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000029364267 847552180 /nfs/dbraw/zinc/55/21/80/847552180.db2.gz SYQCUEZYZFPSKF-CYBMUJFWSA-N 0 0 408.285 4.421 20 5 HIBDRN C[N@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000029384586 847556312 /nfs/dbraw/zinc/55/63/12/847556312.db2.gz JSIQUKZTUOQAAU-UHFFFAOYSA-N 0 0 403.504 4.160 20 5 HIBDRN O=C(NCCC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000436442448 861804446 /nfs/dbraw/zinc/80/44/46/861804446.db2.gz OYCGYFCZQGJXOV-LJQANCHMSA-N 0 0 415.877 4.122 20 5 HIBDRN CC(C)c1cccc(NC(=O)COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000029425161 847562352 /nfs/dbraw/zinc/56/23/52/847562352.db2.gz KOWLHIQBKPVUEG-AWEZNQCLSA-N 0 0 402.472 4.381 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000436444698 861804602 /nfs/dbraw/zinc/80/46/02/861804602.db2.gz ALNFSSUKLFVQGN-UHFFFAOYSA-N 0 0 417.425 4.451 20 5 HIBDRN COC(=O)CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000029439476 847565234 /nfs/dbraw/zinc/56/52/34/847565234.db2.gz DZVHCMWLDAYKGS-UHFFFAOYSA-N 0 0 422.890 4.425 20 5 HIBDRN C[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000029509573 847572683 /nfs/dbraw/zinc/57/26/83/847572683.db2.gz FSOPMTJUJCUBCD-CYBMUJFWSA-N 0 0 401.850 4.373 20 5 HIBDRN COc1cccc(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1[N+](=O)[O-] ZINC000436447315 861806808 /nfs/dbraw/zinc/80/68/08/861806808.db2.gz IBJLDOIRKBVMNA-AWEZNQCLSA-N 0 0 406.719 4.429 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(CN3CCCCCC3)cs2)c1 ZINC000029638181 847593127 /nfs/dbraw/zinc/59/31/27/847593127.db2.gz PNEWNRNFYZNYDY-UHFFFAOYSA-N 0 0 406.533 4.402 20 5 HIBDRN Cc1ccc(-c2nnc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2C)cc1 ZINC000029814338 847624980 /nfs/dbraw/zinc/62/49/80/847624980.db2.gz QVILZSRYGJUYTO-UHFFFAOYSA-N 0 0 408.443 4.041 20 5 HIBDRN O=C(Nc1ccccc1N1CCCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000029847743 847631906 /nfs/dbraw/zinc/63/19/06/847631906.db2.gz DCVKJKAYQMLUEG-UHFFFAOYSA-N 0 0 424.501 4.064 20 5 HIBDRN CCOc1ccc(-c2nc(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)cs2)cc1 ZINC000029888123 847642137 /nfs/dbraw/zinc/64/21/37/847642137.db2.gz OVWZYNRFCYMJOC-UHFFFAOYSA-N 0 0 409.467 4.249 20 5 HIBDRN COc1cccc([C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2nccn2C)c1 ZINC000029987256 847665021 /nfs/dbraw/zinc/66/50/21/847665021.db2.gz PVWLQOZPYOVZRN-HXUWFJFHSA-N 0 0 422.485 4.154 20 5 HIBDRN CS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000436470139 861816888 /nfs/dbraw/zinc/81/68/88/861816888.db2.gz QHXLQDVTNCESID-SFHVURJKSA-N 0 0 422.890 4.019 20 5 HIBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000436475718 861819030 /nfs/dbraw/zinc/81/90/30/861819030.db2.gz UZWDSPJEHBDRHM-UHFFFAOYSA-N 0 0 413.817 4.149 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000030285168 847697716 /nfs/dbraw/zinc/69/77/16/847697716.db2.gz IZLHZBARHGIAKB-QGZVFWFLSA-N 0 0 410.455 4.348 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000030332749 847702994 /nfs/dbraw/zinc/70/29/94/847702994.db2.gz IFEHBSQZZHVKRQ-HNNXBMFYSA-N 0 0 403.485 4.039 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000030366350 847706643 /nfs/dbraw/zinc/70/66/43/847706643.db2.gz UATVKAGJFWBRKM-SFHVURJKSA-N 0 0 402.834 4.402 20 5 HIBDRN CCOc1ccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000030420684 847714050 /nfs/dbraw/zinc/71/40/50/847714050.db2.gz KJYUJDBTBJAWHW-NRFANRHFSA-N 0 0 412.467 4.061 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1[N+](=O)[O-] ZINC000030503845 847722833 /nfs/dbraw/zinc/72/28/33/847722833.db2.gz HVVUBDDYUKLPLB-LJQANCHMSA-N 0 0 411.458 4.262 20 5 HIBDRN O=C(Nc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000030778328 847774150 /nfs/dbraw/zinc/77/41/50/847774150.db2.gz GKQLVWHUMZJGGF-INIZCTEOSA-N 0 0 419.412 4.393 20 5 HIBDRN O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000030778335 847774352 /nfs/dbraw/zinc/77/43/52/847774352.db2.gz GKQLVWHUMZJGGF-MRXNPFEDSA-N 0 0 419.412 4.393 20 5 HIBDRN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000030918662 847798517 /nfs/dbraw/zinc/79/85/17/847798517.db2.gz PHIWZOGEOQVKAS-UHFFFAOYSA-N 0 0 409.364 4.340 20 5 HIBDRN O=C(Nc1cccc(OC(F)(F)F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031031135 847811643 /nfs/dbraw/zinc/81/16/43/847811643.db2.gz OWNKSWJAJFTDID-UHFFFAOYSA-N 0 0 409.364 4.349 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000031176159 847836273 /nfs/dbraw/zinc/83/62/73/847836273.db2.gz JGSQYVZQGDWUNC-AWEZNQCLSA-N 0 0 410.499 4.358 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(CCc2ccccc2)CC1 ZINC000031257249 847852190 /nfs/dbraw/zinc/85/21/90/847852190.db2.gz SJFWWMSPKSPBQH-UHFFFAOYSA-N 0 0 404.470 4.266 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1OCC ZINC000031413992 847880505 /nfs/dbraw/zinc/88/05/05/847880505.db2.gz ZXJBIPGYIWWCQP-OAHLLOKOSA-N 0 0 424.457 4.069 20 5 HIBDRN CCN(CC)C(=O)COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000031663553 847925645 /nfs/dbraw/zinc/92/56/45/847925645.db2.gz KTIUQEFWKOCAPG-UHFFFAOYSA-N 0 0 420.853 4.139 20 5 HIBDRN COc1cccc(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)c1 ZINC000031767650 847945581 /nfs/dbraw/zinc/94/55/81/847945581.db2.gz HEHZZBBTLRNASJ-UHFFFAOYSA-N 0 0 420.465 4.232 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1OC ZINC000031795074 847951566 /nfs/dbraw/zinc/95/15/66/847951566.db2.gz XZTODZHKTBDTTO-GFCCVEGCSA-N 0 0 415.471 4.445 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000031889946 847961121 /nfs/dbraw/zinc/96/11/21/847961121.db2.gz FUMBXGMPHWIYHV-HXUWFJFHSA-N 0 0 406.479 4.489 20 5 HIBDRN Cc1c(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cccc1[N+](=O)[O-] ZINC000032203239 847992024 /nfs/dbraw/zinc/99/20/24/847992024.db2.gz ITKDVRGYTNEJRH-UHFFFAOYSA-N 0 0 401.220 4.308 20 5 HIBDRN CC(=O)Nc1cccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000032358696 848011606 /nfs/dbraw/zinc/01/16/06/848011606.db2.gz AWNGTWKIBLONPA-UHFFFAOYSA-N 0 0 418.453 4.095 20 5 HIBDRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)n2)c(F)c1 ZINC000032425572 848023881 /nfs/dbraw/zinc/02/38/81/848023881.db2.gz BBFXSOGDEVJXDG-UHFFFAOYSA-N 0 0 420.447 4.438 20 5 HIBDRN C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032445103 848028498 /nfs/dbraw/zinc/02/84/98/848028498.db2.gz OYVCBVAVOOQYNP-JTQLQIEISA-N 0 0 411.892 4.240 20 5 HIBDRN O=C(c1ccccc1O)N1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000436578827 861858559 /nfs/dbraw/zinc/85/85/59/861858559.db2.gz SORZMOBQXMSFJA-UHFFFAOYSA-N 0 0 410.257 4.324 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1 ZINC000032644876 848059272 /nfs/dbraw/zinc/05/92/72/848059272.db2.gz HNKLWJUXNUCSHL-UHFFFAOYSA-N 0 0 422.393 4.435 20 5 HIBDRN Cc1c(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cccc1[N+](=O)[O-] ZINC000032660033 848060274 /nfs/dbraw/zinc/06/02/74/848060274.db2.gz CUHPRZDZCYFKOM-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN C[C@@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H](C)O1 ZINC000032799591 848077820 /nfs/dbraw/zinc/07/78/20/848077820.db2.gz XFUGQBBIIUICOF-BIENJYKASA-N 0 0 403.866 4.037 20 5 HIBDRN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000032859387 848084983 /nfs/dbraw/zinc/08/49/83/848084983.db2.gz KKIHKMVGNFSVPQ-AWEZNQCLSA-N 0 0 415.789 4.191 20 5 HIBDRN Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000032970760 848097371 /nfs/dbraw/zinc/09/73/71/848097371.db2.gz FRNDCRQKIYCFSR-UHFFFAOYSA-N 0 0 414.259 4.279 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cccc(-c3ccnc(C)n3)c2)cc1[N+](=O)[O-] ZINC000033126574 848111270 /nfs/dbraw/zinc/11/12/70/848111270.db2.gz WZGVXOQRWOXLCL-UHFFFAOYSA-N 0 0 424.482 4.241 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000033173767 848117853 /nfs/dbraw/zinc/11/78/53/848117853.db2.gz GQYUNMFEEZDRRK-LLVKDONJSA-N 0 0 407.879 4.069 20 5 HIBDRN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000033229743 848129974 /nfs/dbraw/zinc/12/99/74/848129974.db2.gz XGQWFEYQSCAEAM-UHFFFAOYSA-N 0 0 405.439 4.080 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC000436612075 861869487 /nfs/dbraw/zinc/86/94/87/861869487.db2.gz ZLHDBDQHRHQJOP-NRFANRHFSA-N 0 0 419.437 4.109 20 5 HIBDRN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000035903253 848145277 /nfs/dbraw/zinc/14/52/77/848145277.db2.gz FRRXIUMRYLATID-UHFFFAOYSA-N 0 0 424.284 4.321 20 5 HIBDRN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n1C ZINC000036802801 848164704 /nfs/dbraw/zinc/16/47/04/848164704.db2.gz DAQXLNPLVSLEIR-UHFFFAOYSA-N 0 0 417.878 4.083 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000039548449 848187944 /nfs/dbraw/zinc/18/79/44/848187944.db2.gz SRMDWTQZNGAONG-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000041202086 848205119 /nfs/dbraw/zinc/20/51/19/848205119.db2.gz AMOSONABGIPGAB-OAQYLSRUSA-N 0 0 415.405 4.185 20 5 HIBDRN CC(C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1 ZINC000041788170 848250320 /nfs/dbraw/zinc/25/03/20/848250320.db2.gz NRYQVYZZKNCZNI-JOCHJYFZSA-N 0 0 413.521 4.408 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1ccc(C(F)(F)F)cn1 ZINC000041904103 848264842 /nfs/dbraw/zinc/26/48/42/848264842.db2.gz AYICXADGBRBQCY-UHFFFAOYSA-N 0 0 401.366 4.138 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc1[N+](=O)[O-] ZINC000041930363 848265660 /nfs/dbraw/zinc/26/56/60/848265660.db2.gz YKFQCCLEUJMUPL-UHFFFAOYSA-N 0 0 403.822 4.026 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000042003066 848272708 /nfs/dbraw/zinc/27/27/08/848272708.db2.gz YLYMMYXEPSBBAC-QGZVFWFLSA-N 0 0 417.465 4.179 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000042087550 848283713 /nfs/dbraw/zinc/28/37/13/848283713.db2.gz MCNXFPAZDNGNNI-KRWDZBQOSA-N 0 0 415.858 4.154 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c(F)c1 ZINC000042097319 848285519 /nfs/dbraw/zinc/28/55/19/848285519.db2.gz QZARWFYYFDJURT-HNNXBMFYSA-N 0 0 418.425 4.462 20 5 HIBDRN O=[N+]([O-])c1ccc(CCSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1 ZINC000042129105 848289866 /nfs/dbraw/zinc/28/98/66/848289866.db2.gz GLMUFFHQZINUQS-MRXNPFEDSA-N 0 0 416.528 4.429 20 5 HIBDRN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000042256973 848309658 /nfs/dbraw/zinc/30/96/58/848309658.db2.gz CXGLGBLTQIHGIS-UHFFFAOYSA-N 0 0 404.348 4.072 20 5 HIBDRN CC(C)c1nnc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])n1Cc1ccco1 ZINC000042707846 848346074 /nfs/dbraw/zinc/34/60/74/848346074.db2.gz OECIVABMAVZFJQ-UHFFFAOYSA-N 0 0 415.475 4.072 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CSc3ncnc4sc5c(c43)CCC5)n2)cc1 ZINC000044029653 848503784 /nfs/dbraw/zinc/50/37/84/848503784.db2.gz RIZGZNGUUXXRPT-UHFFFAOYSA-N 0 0 411.468 4.431 20 5 HIBDRN Cc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n(Cc2ccccc2)n1 ZINC000044048172 848507382 /nfs/dbraw/zinc/50/73/82/848507382.db2.gz XVHMMFVITWWPJK-UHFFFAOYSA-N 0 0 419.485 4.003 20 5 HIBDRN CC(=O)c1ccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1 ZINC000044257544 848537698 /nfs/dbraw/zinc/53/76/98/848537698.db2.gz HTALXYNBJWNIBW-SFHVURJKSA-N 0 0 413.430 4.002 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000045197425 848646209 /nfs/dbraw/zinc/64/62/09/848646209.db2.gz JCFXEMXTCHRNLJ-UHFFFAOYSA-N 0 0 415.440 4.281 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000045280023 848658394 /nfs/dbraw/zinc/65/83/94/848658394.db2.gz PBYVOXIRTFMHTC-GFCCVEGCSA-N 0 0 407.455 4.101 20 5 HIBDRN C[C@@H](c1ccccc1Cl)N(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000045398331 848674304 /nfs/dbraw/zinc/67/43/04/848674304.db2.gz YQUJYCUVEVCJQJ-AWEZNQCLSA-N 0 0 415.877 4.120 20 5 HIBDRN Cc1c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccc(F)cc1 ZINC000045517812 848687941 /nfs/dbraw/zinc/68/79/41/848687941.db2.gz WEHLBPVMEZZLOD-NSHDSACASA-N 0 0 402.813 4.372 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000045518577 848688041 /nfs/dbraw/zinc/68/80/41/848688041.db2.gz ROCRZWRDGBBNJM-LBPRGKRZSA-N 0 0 414.462 4.441 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000045592639 848697468 /nfs/dbraw/zinc/69/74/68/848697468.db2.gz RJQJUTSTTFLAJH-HXUWFJFHSA-N 0 0 421.453 4.198 20 5 HIBDRN COc1cc([C@H](C)NC(=O)NCc2ccccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000045624062 848703816 /nfs/dbraw/zinc/70/38/16/848703816.db2.gz VSZBAAOIFBDBKC-HNNXBMFYSA-N 0 0 401.463 4.199 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC000045622031 848704088 /nfs/dbraw/zinc/70/40/88/848704088.db2.gz QBEARPSTVCNCIV-NRFANRHFSA-N 0 0 417.421 4.098 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000045714397 848716061 /nfs/dbraw/zinc/71/60/61/848716061.db2.gz LLWSLIILHKOZPZ-GOSISDBHSA-N 0 0 400.500 4.373 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] ZINC000045713014 848716192 /nfs/dbraw/zinc/71/61/92/848716192.db2.gz BXJBOGSMZPJBMM-UHFFFAOYSA-N 0 0 411.277 4.238 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000045748939 848721477 /nfs/dbraw/zinc/72/14/77/848721477.db2.gz SIMRCNGZLBULGE-UHFFFAOYSA-N 0 0 404.382 4.367 20 5 HIBDRN Cc1cc(Br)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000045765397 848724518 /nfs/dbraw/zinc/72/45/18/848724518.db2.gz QGDVXPLZHRSNJG-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000045797590 848730545 /nfs/dbraw/zinc/73/05/45/848730545.db2.gz VPIVOADPWSKZIU-VIFPVBQESA-N 0 0 407.250 4.221 20 5 HIBDRN C[C@H](c1nc(-c2ccccc2)no1)N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000045808451 848733056 /nfs/dbraw/zinc/73/30/56/848733056.db2.gz QRWLAPTWRFCTLM-DLBZAZTESA-N 0 0 407.474 4.085 20 5 HIBDRN O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1csc([N+](=O)[O-])c1 ZINC000045819516 848734541 /nfs/dbraw/zinc/73/45/41/848734541.db2.gz KZNLAPONTNZFMA-QGZVFWFLSA-N 0 0 410.430 4.316 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000045934944 848753817 /nfs/dbraw/zinc/75/38/17/848753817.db2.gz UGCAXQNIQNBEMA-UHFFFAOYSA-N 0 0 400.378 4.494 20 5 HIBDRN COc1cccc(Oc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3C)cn2)c1 ZINC000045988173 848766486 /nfs/dbraw/zinc/76/64/86/848766486.db2.gz ZHCXKAYQJKEEDZ-UHFFFAOYSA-N 0 0 408.414 4.421 20 5 HIBDRN Cc1ccc(OCCCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000046104851 848785282 /nfs/dbraw/zinc/78/52/82/848785282.db2.gz JBDCKWJIHVNEMB-UHFFFAOYSA-N 0 0 411.502 4.095 20 5 HIBDRN COc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c(C(F)(F)F)c1 ZINC000046154310 848791594 /nfs/dbraw/zinc/79/15/94/848791594.db2.gz RSEROIYFQDQEFG-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H](c2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC000046169498 848794278 /nfs/dbraw/zinc/79/42/78/848794278.db2.gz VUAQOCNXBAVSJJ-NRFANRHFSA-N 0 0 412.467 4.335 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000046308095 848820412 /nfs/dbraw/zinc/82/04/12/848820412.db2.gz POXDXLXIQQZIEV-UHFFFAOYSA-N 0 0 413.430 4.330 20 5 HIBDRN COc1ccc(F)cc1[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000046403286 848841996 /nfs/dbraw/zinc/84/19/96/848841996.db2.gz FCLQKXGSSPXHGP-HNNXBMFYSA-N 0 0 404.441 4.180 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000046604760 848883772 /nfs/dbraw/zinc/88/37/72/848883772.db2.gz UFGMRHUOAOXJPI-CYBMUJFWSA-N 0 0 401.488 4.242 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000046625900 848890970 /nfs/dbraw/zinc/89/09/70/848890970.db2.gz JUQXQACDXHQHSF-HXUWFJFHSA-N 0 0 411.477 4.184 20 5 HIBDRN CCOc1cc(C(=O)NCc2ccccc2OC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000046781415 848933580 /nfs/dbraw/zinc/93/35/80/848933580.db2.gz MKWRFEBEPOWDNS-UHFFFAOYSA-N 0 0 414.458 4.254 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccccc1I)c1cccc([N+](=O)[O-])c1 ZINC000047324922 849026239 /nfs/dbraw/zinc/02/62/39/849026239.db2.gz KTNROTSZCMWCPK-SNVBAGLBSA-N 0 0 411.199 4.082 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000047397971 849039616 /nfs/dbraw/zinc/03/96/16/849039616.db2.gz MVEWYPIPKKQULD-JTQLQIEISA-N 0 0 410.352 4.455 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1CN1CCc2ccccc21 ZINC000047407605 849041069 /nfs/dbraw/zinc/04/10/69/849041069.db2.gz BSVKVHIHYJCLGT-UHFFFAOYSA-N 0 0 403.438 4.175 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(c2nc3ccccc3s2)CC1 ZINC000047609330 849084950 /nfs/dbraw/zinc/08/49/50/849084950.db2.gz HSSZOEGZBXXSIB-UHFFFAOYSA-N 0 0 411.483 4.380 20 5 HIBDRN O=C(Nc1cnn(Cc2ccccc2)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000048095616 849163429 /nfs/dbraw/zinc/16/34/29/849163429.db2.gz JAZXKQIYEUUQML-UHFFFAOYSA-N 0 0 403.345 4.085 20 5 HIBDRN CN(C(=O)Cc1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000048117635 849170878 /nfs/dbraw/zinc/17/08/78/849170878.db2.gz GBHPOZBZJOAKBN-UHFFFAOYSA-N 0 0 418.453 4.122 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000048206009 849190361 /nfs/dbraw/zinc/19/03/61/849190361.db2.gz ASTJCHNWCOLGRL-AWEZNQCLSA-N 0 0 419.466 4.424 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000048842452 849273561 /nfs/dbraw/zinc/27/35/61/849273561.db2.gz TYSWXHZOFQEGOK-SECBINFHSA-N 0 0 414.220 4.165 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cc1[N+](=O)[O-] ZINC000049768779 849326495 /nfs/dbraw/zinc/32/64/95/849326495.db2.gz KLJXYIDQUJUGPE-UHFFFAOYSA-N 0 0 404.272 4.059 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000050115640 849355688 /nfs/dbraw/zinc/35/56/88/849355688.db2.gz HABCAGKMRHJYPO-UHFFFAOYSA-N 0 0 401.850 4.053 20 5 HIBDRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050292330 849368833 /nfs/dbraw/zinc/36/88/33/849368833.db2.gz GYAIWKJGHFWAEX-UHFFFAOYSA-N 0 0 408.439 4.097 20 5 HIBDRN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050310846 849370387 /nfs/dbraw/zinc/37/03/87/849370387.db2.gz WLKIQLBDBGUXDN-UHFFFAOYSA-N 0 0 408.439 4.319 20 5 HIBDRN CC(=O)Nc1cccc([C@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000050311185 849370697 /nfs/dbraw/zinc/37/06/97/849370697.db2.gz VKGNGMLBRBSNIW-LBPRGKRZSA-N 0 0 410.455 4.168 20 5 HIBDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000050383957 849378710 /nfs/dbraw/zinc/37/87/10/849378710.db2.gz GYGZHONAWWQRHB-OAHLLOKOSA-N 0 0 415.515 4.408 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(Oc3ccncc3)cc2)cc([N+](=O)[O-])c1 ZINC000050490758 849388454 /nfs/dbraw/zinc/38/84/54/849388454.db2.gz VWFRQNIVJBWQDD-UHFFFAOYSA-N 0 0 407.382 4.211 20 5 HIBDRN Cc1cc(N2CCSCC2)ccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000050807483 849412582 /nfs/dbraw/zinc/41/25/82/849412582.db2.gz OGCLHZNDJHHOQY-UHFFFAOYSA-N 0 0 414.531 4.287 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1C ZINC000051164634 849438930 /nfs/dbraw/zinc/43/89/30/849438930.db2.gz OIVXAYXEWDKWNY-GHTZIAJQSA-N 0 0 418.515 4.000 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NC2CCN(Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000052447759 849583388 /nfs/dbraw/zinc/58/33/88/849583388.db2.gz OKZHEVONCHTJKM-UHFFFAOYSA-N 0 0 416.481 4.297 20 5 HIBDRN O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000052611577 849601326 /nfs/dbraw/zinc/60/13/26/849601326.db2.gz OCAVEYYCQLWGQT-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2ccc(O)cc2)cc1 ZINC000052963751 849650461 /nfs/dbraw/zinc/65/04/61/849650461.db2.gz IPVXHGGMGIQSEI-UHFFFAOYSA-N 0 0 408.410 4.374 20 5 HIBDRN Cc1c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000053218069 849680562 /nfs/dbraw/zinc/68/05/62/849680562.db2.gz MEKWAZMRPGMUME-UHFFFAOYSA-N 0 0 418.375 4.080 20 5 HIBDRN CNC(=O)c1ccc(NCc2cccc(COCc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000053561709 849731799 /nfs/dbraw/zinc/73/17/99/849731799.db2.gz QHYZHLRQQFZCCO-UHFFFAOYSA-N 0 0 405.454 4.283 20 5 HIBDRN CCc1cc(NCc2ccc(-n3ccnc3C)nc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053575309 849733700 /nfs/dbraw/zinc/73/37/00/849733700.db2.gz WGPJAXUSPPFUNK-UHFFFAOYSA-N 0 0 415.457 4.115 20 5 HIBDRN COc1ccc(CNc2nnc(SCCOc3ccccc3[N+](=O)[O-])s2)cc1 ZINC000053636124 849740573 /nfs/dbraw/zinc/74/05/73/849740573.db2.gz WFEXMSWJNLZWED-UHFFFAOYSA-N 0 0 418.500 4.238 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000053988136 849788067 /nfs/dbraw/zinc/78/80/67/849788067.db2.gz SRFZIYUOUGIUPT-UHFFFAOYSA-N 0 0 400.822 4.113 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000054120008 849812507 /nfs/dbraw/zinc/81/25/07/849812507.db2.gz ZYSLPYZUTPZIFD-QRVBRYPASA-N 0 0 414.433 4.037 20 5 HIBDRN CN(CCCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000054167321 849819466 /nfs/dbraw/zinc/81/94/66/849819466.db2.gz INDCXCZPZKPZFN-UHFFFAOYSA-N 0 0 413.521 4.188 20 5 HIBDRN COC(=O)c1ccc(OCc2cccc(C(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000054449864 849870185 /nfs/dbraw/zinc/87/01/85/849870185.db2.gz NCUHOGAFDOPNRJ-UHFFFAOYSA-N 0 0 406.394 4.213 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000054476881 849874139 /nfs/dbraw/zinc/87/41/39/849874139.db2.gz BRXWGLGTPQNBEV-GFCCVEGCSA-N 0 0 404.854 4.271 20 5 HIBDRN O=C(Nc1ccccc1)NC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000054981225 849951485 /nfs/dbraw/zinc/95/14/85/849951485.db2.gz OMGBQHSSYXGICV-UHFFFAOYSA-N 0 0 408.380 4.404 20 5 HIBDRN C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000055466160 850031723 /nfs/dbraw/zinc/03/17/23/850031723.db2.gz NGWUAEZSPPLXBO-VGOFRKELSA-N 0 0 417.465 4.333 20 5 HIBDRN CC(C)CNC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000055562378 850055424 /nfs/dbraw/zinc/05/54/24/850055424.db2.gz AYTMYJZOMWCPAD-CQSZACIVSA-N 0 0 401.488 4.100 20 5 HIBDRN CCCOc1cc(C)ccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000055619974 850080893 /nfs/dbraw/zinc/08/08/93/850080893.db2.gz FRMZVAHCOMMPQD-UHFFFAOYSA-N 0 0 413.430 4.019 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000055742026 850131698 /nfs/dbraw/zinc/13/16/98/850131698.db2.gz YEWGQLHIKSKZOD-UHFFFAOYSA-N 0 0 411.458 4.262 20 5 HIBDRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000055753776 850135712 /nfs/dbraw/zinc/13/57/12/850135712.db2.gz VGQSHHJBSVFWRF-HNNXBMFYSA-N 0 0 413.499 4.340 20 5 HIBDRN CCOc1ccc(Oc2cc(CNC(=O)c3cccc([N+](=O)[O-])c3C)ccn2)cc1 ZINC000055770877 850146354 /nfs/dbraw/zinc/14/63/54/850146354.db2.gz ZCGHOHMPXQYOOL-UHFFFAOYSA-N 0 0 407.426 4.419 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000055785642 850153502 /nfs/dbraw/zinc/15/35/02/850153502.db2.gz KBCDQUQCFFBMJU-QGZVFWFLSA-N 0 0 405.248 4.100 20 5 HIBDRN Cc1cccc(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1[N+](=O)[O-] ZINC000055833486 850172982 /nfs/dbraw/zinc/17/29/82/850172982.db2.gz GZCXICFLWMGTLP-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000055867667 850185772 /nfs/dbraw/zinc/18/57/72/850185772.db2.gz NFKDUFITZIKJGS-INIZCTEOSA-N 0 0 410.348 4.195 20 5 HIBDRN O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000055867401 850186081 /nfs/dbraw/zinc/18/60/81/850186081.db2.gz BCUBRFNVMJNGAV-OAHLLOKOSA-N 0 0 404.348 4.204 20 5 HIBDRN COc1ccc([C@@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000055941512 850210502 /nfs/dbraw/zinc/21/05/02/850210502.db2.gz IHPSGIVCYGDKNH-AOMKIAJQSA-N 0 0 405.454 4.310 20 5 HIBDRN CC[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000055964115 850217157 /nfs/dbraw/zinc/21/71/57/850217157.db2.gz XMDSBIWTZBJPKU-GUYCJALGSA-N 0 0 402.472 4.114 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2)c(Cl)c1 ZINC000055969493 850218907 /nfs/dbraw/zinc/21/89/07/850218907.db2.gz ZUUIIXXWMDBNDZ-UHFFFAOYSA-N 0 0 406.847 4.232 20 5 HIBDRN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056132401 850249059 /nfs/dbraw/zinc/24/90/59/850249059.db2.gz RORWDDYEUVBDKY-LJQANCHMSA-N 0 0 403.442 4.330 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N([C@H](C)c3ccco3)C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000056182571 850274975 /nfs/dbraw/zinc/27/49/75/850274975.db2.gz LNANIQWAQTTXMO-OAHLLOKOSA-N 0 0 408.458 4.415 20 5 HIBDRN CCOc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1[N+](=O)[O-] ZINC000056249191 850297552 /nfs/dbraw/zinc/29/75/52/850297552.db2.gz PDABRLNLUFZSSI-UHFFFAOYSA-N 0 0 404.835 4.418 20 5 HIBDRN COc1cc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC1CCCC1 ZINC000056402438 850349129 /nfs/dbraw/zinc/34/91/29/850349129.db2.gz CHVXRDDMEMNVNM-HNNXBMFYSA-N 0 0 413.474 4.485 20 5 HIBDRN COc1cc2c(cc1OC)CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CC2 ZINC000056462502 850371883 /nfs/dbraw/zinc/37/18/83/850371883.db2.gz BHWNSEKEDGPYBX-UHFFFAOYSA-N 0 0 412.486 4.151 20 5 HIBDRN Cc1c([C@@H](C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)cnn1-c1ccc(F)cc1 ZINC000056876740 850508193 /nfs/dbraw/zinc/50/81/93/850508193.db2.gz XTIBPBPOCCXDDT-GFCCVEGCSA-N 0 0 407.405 4.200 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1 ZINC000057374077 850618773 /nfs/dbraw/zinc/61/87/73/850618773.db2.gz XCKFKWDNZPEFJS-UHFFFAOYSA-N 0 0 405.382 4.181 20 5 HIBDRN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000057949411 850747685 /nfs/dbraw/zinc/74/76/85/850747685.db2.gz JTQVNKWSLIBJFF-OAQYLSRUSA-N 0 0 405.410 4.383 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc5cccc([N+](=O)[O-])c5[nH]4)CC3)c2c1 ZINC000058250526 850786510 /nfs/dbraw/zinc/78/65/10/850786510.db2.gz LJCSYCKEYVRKDO-UHFFFAOYSA-N 0 0 416.437 4.496 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000058416222 850818402 /nfs/dbraw/zinc/81/84/02/850818402.db2.gz JSRPAQXYTSMAFF-UHFFFAOYSA-N 0 0 406.373 4.333 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058460090 850831975 /nfs/dbraw/zinc/83/19/75/850831975.db2.gz LHSBXZCGLKFSKN-UHFFFAOYSA-N 0 0 403.442 4.171 20 5 HIBDRN COc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c([N+](=O)[O-])c1 ZINC000058557907 850855639 /nfs/dbraw/zinc/85/56/39/850855639.db2.gz PVKIRDLMWCJQBW-UHFFFAOYSA-N 0 0 410.430 4.348 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n(Cc2ccccc2)n1 ZINC000058638257 850876054 /nfs/dbraw/zinc/87/60/54/850876054.db2.gz VKRGCDYCRBGRGX-UHFFFAOYSA-N 0 0 408.458 4.155 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CCSc3ccc(Cl)cc32)cc([N+](=O)[O-])c1 ZINC000058714814 850899350 /nfs/dbraw/zinc/89/93/50/850899350.db2.gz PLPZBSYRKZLXJU-UHFFFAOYSA-N 0 0 406.847 4.177 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccc(F)cc21 ZINC000058741218 850908593 /nfs/dbraw/zinc/90/85/93/850908593.db2.gz KVINASPZCFFDSV-UHFFFAOYSA-N 0 0 400.353 4.434 20 5 HIBDRN Cc1cc(C(=O)Nc2ccccc2-n2cc(Br)cn2)ccc1[N+](=O)[O-] ZINC000058910730 850956723 /nfs/dbraw/zinc/95/67/23/850956723.db2.gz ZVHBTIBDLAUUTQ-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1sc2ncn(CCOc3ccccc3[N+](=O)[O-])c(=O)c2c1-c1ccccc1 ZINC000059013541 850980215 /nfs/dbraw/zinc/98/02/15/850980215.db2.gz LURHAOMMHISWJQ-UHFFFAOYSA-N 0 0 407.451 4.421 20 5 HIBDRN CC(C)C(=O)Nc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1 ZINC000059253212 850987775 /nfs/dbraw/zinc/98/77/75/850987775.db2.gz HWHQBLBTCUNXJJ-UHFFFAOYSA-N 0 0 423.391 4.394 20 5 HIBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(Br)ccc21 ZINC000059813610 851014638 /nfs/dbraw/zinc/01/46/38/851014638.db2.gz YUEWPAIXJLCQHS-UHFFFAOYSA-N 0 0 404.264 4.016 20 5 HIBDRN O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1)[C@H]1CCCO1 ZINC000060081726 851038882 /nfs/dbraw/zinc/03/88/82/851038882.db2.gz AWOXASPGSQCSKV-QGZVFWFLSA-N 0 0 409.364 4.343 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2cc3c(c(Br)c2)OCO3)c2ncccc12 ZINC000060094323 851041474 /nfs/dbraw/zinc/04/14/74/851041474.db2.gz ZEQJSPPIHLXHKE-UHFFFAOYSA-N 0 0 402.204 4.246 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000060365109 851079410 /nfs/dbraw/zinc/07/94/10/851079410.db2.gz SHEBFEOANPCVFE-SFHVURJKSA-N 0 0 418.906 4.419 20 5 HIBDRN CCOc1ccc(C(=O)N(CCc2ccccc2)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000060415661 851091835 /nfs/dbraw/zinc/09/18/35/851091835.db2.gz YDSSPNYIUDTQJV-UHFFFAOYSA-N 0 0 405.454 4.274 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000060497896 851120877 /nfs/dbraw/zinc/12/08/77/851120877.db2.gz PJPROZDOBDPZTE-GOSISDBHSA-N 0 0 404.488 4.136 20 5 HIBDRN CCOC(=O)c1c(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)sc(C)c1CC ZINC000060500188 851122313 /nfs/dbraw/zinc/12/23/13/851122313.db2.gz XHIDHYYYVRIPER-UHFFFAOYSA-N 0 0 406.460 4.355 20 5 HIBDRN C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000060731323 851199599 /nfs/dbraw/zinc/19/95/99/851199599.db2.gz NDTUUJRWLHALFJ-XHSDSOJGSA-N 0 0 409.555 4.072 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc2c(c(Cl)c1)OCO2 ZINC000060749722 851203666 /nfs/dbraw/zinc/20/36/66/851203666.db2.gz PIMPLVXJDKVNFJ-UHFFFAOYSA-N 0 0 403.803 4.353 20 5 HIBDRN CCCCc1ccc2nc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)sc2c1 ZINC000060775105 851210091 /nfs/dbraw/zinc/21/00/91/851210091.db2.gz TZWMUNAVDOFTLM-UHFFFAOYSA-N 0 0 422.470 4.380 20 5 HIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000060825966 851223715 /nfs/dbraw/zinc/22/37/15/851223715.db2.gz KWKKXJZHPBUBKO-UHFFFAOYSA-N 0 0 408.801 4.175 20 5 HIBDRN O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000060880484 851239565 /nfs/dbraw/zinc/23/95/65/851239565.db2.gz UYJSMBHGSLAUJD-UHFFFAOYSA-N 0 0 423.473 4.075 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000060932359 851251517 /nfs/dbraw/zinc/25/15/17/851251517.db2.gz GWFWJTFXMVUPLX-XHSDSOJGSA-N 0 0 421.501 4.444 20 5 HIBDRN O=C(Nc1cccc(-c2cccs2)c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000437034634 862222816 /nfs/dbraw/zinc/22/28/16/862222816.db2.gz CYPKGCOUKRQNLO-UHFFFAOYSA-N 0 0 421.478 4.453 20 5 HIBDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000437035807 862223075 /nfs/dbraw/zinc/22/30/75/862223075.db2.gz XQBHATIIDYYPJG-UHFFFAOYSA-N 0 0 402.882 4.022 20 5 HIBDRN C[C@@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1cccc([N+](=O)[O-])c1 ZINC000061165431 851308599 /nfs/dbraw/zinc/30/85/99/851308599.db2.gz BDIYNGVGLKAACM-GFCCVEGCSA-N 0 0 403.485 4.422 20 5 HIBDRN Cc1cc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1C(F)(F)F ZINC000437045854 862239515 /nfs/dbraw/zinc/23/95/15/862239515.db2.gz LFRABCGHVQXGMG-UHFFFAOYSA-N 0 0 421.375 4.052 20 5 HIBDRN Cc1oc2ccc(NC(=O)C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2c1C ZINC000437052423 862248217 /nfs/dbraw/zinc/24/82/17/862248217.db2.gz VXAXDQQXNPLLRC-UHFFFAOYSA-N 0 0 407.426 4.088 20 5 HIBDRN COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000062228969 851511311 /nfs/dbraw/zinc/51/13/11/851511311.db2.gz WUDGYTOEBAGPMV-UHFFFAOYSA-N 0 0 414.393 4.069 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000062512389 851566848 /nfs/dbraw/zinc/56/68/48/851566848.db2.gz DNEBNTWFKRVZPB-UHFFFAOYSA-N 0 0 424.432 4.430 20 5 HIBDRN CC(=O)N1CCN(c2cccc(N[C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000437061661 862259595 /nfs/dbraw/zinc/25/95/95/862259595.db2.gz LFINUZDPSVBKMH-AUSIDOKSSA-N 0 0 422.529 4.087 20 5 HIBDRN O=C(NCc1ccccc1Oc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000062886989 851597912 /nfs/dbraw/zinc/59/79/12/851597912.db2.gz CSXRGMGDEDSTQY-UHFFFAOYSA-N 0 0 406.394 4.088 20 5 HIBDRN CCOc1cccc([C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000062910246 851603223 /nfs/dbraw/zinc/60/32/23/851603223.db2.gz ZGOOKMIIPNPBJA-LBPRGKRZSA-N 0 0 412.364 4.426 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 ZINC000062928311 851606116 /nfs/dbraw/zinc/60/61/16/851606116.db2.gz ROELLBCZAGIKDZ-UHFFFAOYSA-N 0 0 408.458 4.134 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000437068147 862264783 /nfs/dbraw/zinc/26/47/83/862264783.db2.gz ICTNSTZGVYMTLZ-LLVKDONJSA-N 0 0 421.240 4.493 20 5 HIBDRN COc1ccccc1C(C)(C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000063392503 851675551 /nfs/dbraw/zinc/67/55/51/851675551.db2.gz RIBYZWVBMJZLGQ-UHFFFAOYSA-N 0 0 409.389 4.304 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000063469982 851698097 /nfs/dbraw/zinc/69/80/97/851698097.db2.gz ZXSRADAQLMZTNY-UHFFFAOYSA-N 0 0 410.474 4.016 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000063493943 851702466 /nfs/dbraw/zinc/70/24/66/851702466.db2.gz UUFXXWWSGDXCPN-QHCPKHFHSA-N 0 0 404.470 4.139 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CCS1 ZINC000437079545 862274299 /nfs/dbraw/zinc/27/42/99/862274299.db2.gz CUKLZMNUCZOUSA-CYBMUJFWSA-N 0 0 409.558 4.479 20 5 HIBDRN CCCCc1nc(-c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)no1 ZINC000063539074 851709438 /nfs/dbraw/zinc/70/94/38/851709438.db2.gz HJOSJGBXFIYKGK-UHFFFAOYSA-N 0 0 410.430 4.313 20 5 HIBDRN C[C@H](Nc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000063641025 851731698 /nfs/dbraw/zinc/73/16/98/851731698.db2.gz 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CC(C)N(Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064349987 851877020 /nfs/dbraw/zinc/87/70/20/851877020.db2.gz MZPKFRBJLZOKRE-UHFFFAOYSA-N 0 0 410.499 4.228 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000064418762 851893023 /nfs/dbraw/zinc/89/30/23/851893023.db2.gz OGLJDNWSWRGLLJ-ZDUSSCGKSA-N 0 0 404.854 4.040 20 5 HIBDRN CCCC(=O)Nc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000064420865 851893886 /nfs/dbraw/zinc/89/38/86/851893886.db2.gz INWOVHUNSZJFLX-ZDUSSCGKSA-N 0 0 419.865 4.071 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000064420429 851893970 /nfs/dbraw/zinc/89/39/70/851893970.db2.gz SBTJBKHDBNDOCA-CYBMUJFWSA-N 0 0 419.865 4.048 20 5 HIBDRN CC(C)CCOc1cccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000064547415 851926331 /nfs/dbraw/zinc/92/63/31/851926331.db2.gz TYROENKBTXKDLW-UHFFFAOYSA-N 0 0 412.490 4.374 20 5 HIBDRN CC(=O)Nc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1F ZINC000064679865 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ZINC000437211862 862400575 /nfs/dbraw/zinc/40/05/75/862400575.db2.gz WNOJWEAIHWZLJL-LBPRGKRZSA-N 0 0 410.442 4.035 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000108637655 852867186 /nfs/dbraw/zinc/86/71/86/852867186.db2.gz AMTDOSIVUPEGPW-UHFFFAOYSA-N 0 0 410.499 4.412 20 5 HIBDRN O=C(Nc1ccccc1Cn1cncn1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000108674847 852871249 /nfs/dbraw/zinc/87/12/49/852871249.db2.gz JKTBAOCADVVDCN-UHFFFAOYSA-N 0 0 414.425 4.231 20 5 HIBDRN COc1ccc(C(=O)Nc2ccccc2-c2nnc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC000108725579 852875601 /nfs/dbraw/zinc/87/56/01/852875601.db2.gz WOYYVSDAZMCHCN-UHFFFAOYSA-N 0 0 415.409 4.308 20 5 HIBDRN C[C@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000108735147 852876437 /nfs/dbraw/zinc/87/64/37/852876437.db2.gz KORAPMYVWWMOGW-AWEZNQCLSA-N 0 0 409.467 4.424 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000108783664 852879599 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406.486 4.158 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000110005851 853045639 /nfs/dbraw/zinc/04/56/39/853045639.db2.gz CSPXBOLCTQKPRF-HNNXBMFYSA-N 0 0 406.483 4.014 20 5 HIBDRN O=C(Nc1ccnc(Sc2ccccn2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000110045987 853052116 /nfs/dbraw/zinc/05/21/16/853052116.db2.gz PVRQZLJMOUTREX-UHFFFAOYSA-N 0 0 421.482 4.389 20 5 HIBDRN Cc1cc(Sc2ncccn2)ccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000110136327 853065109 /nfs/dbraw/zinc/06/51/09/853065109.db2.gz MPCZRFWMPZREGY-UHFFFAOYSA-N 0 0 409.471 4.285 20 5 HIBDRN CC(=O)Nc1ccc(Br)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000110218468 853074922 /nfs/dbraw/zinc/07/49/22/853074922.db2.gz QMFONGPMKFCDIR-UHFFFAOYSA-N 0 0 424.276 4.047 20 5 HIBDRN O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110410882 853096178 /nfs/dbraw/zinc/09/61/78/853096178.db2.gz ZUVOWZZLJOSUAE-NRFANRHFSA-N 0 0 414.421 4.186 20 5 HIBDRN COc1ccc(-n2ccc(CNc3ccc(Br)cc3[N+](=O)[O-])n2)cc1 ZINC000110458523 853102584 /nfs/dbraw/zinc/10/25/84/853102584.db2.gz GVDGOPWOPLEYQP-UHFFFAOYSA-N 0 0 403.236 4.164 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n(C(C)(C)C)n1 ZINC000110565175 853119128 /nfs/dbraw/zinc/11/91/28/853119128.db2.gz WBKYDAGWTURFLS-UHFFFAOYSA-N 0 0 410.478 4.282 20 5 HIBDRN CCN1CCc2ccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cc21 ZINC000110815956 853154163 /nfs/dbraw/zinc/15/41/63/853154163.db2.gz GEHOASITGBLGMW-UHFFFAOYSA-N 0 0 419.485 4.091 20 5 HIBDRN CC(NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)(c1ccccc1)c1ccccc1 ZINC000110973096 853177311 /nfs/dbraw/zinc/17/73/11/853177311.db2.gz CMOJAUACCUAZGZ-UHFFFAOYSA-N 0 0 412.449 4.474 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)n(-c2ccccn2)n1 ZINC000111007487 853185984 /nfs/dbraw/zinc/18/59/84/853185984.db2.gz PQZDVOHDLPKZQE-UHFFFAOYSA-N 0 0 411.487 4.204 20 5 HIBDRN COc1ccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1[N+](=O)[O-] ZINC000111004945 853186197 /nfs/dbraw/zinc/18/61/97/853186197.db2.gz QHLVWIVOZKTNMI-UHFFFAOYSA-N 0 0 418.409 4.082 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n(-c2ccccn2)n1 ZINC000111091720 853199830 /nfs/dbraw/zinc/19/98/30/853199830.db2.gz HNXYLKRFBNVZLN-UHFFFAOYSA-N 0 0 418.457 4.066 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1[N+](=O)[O-] ZINC000115799215 853266104 /nfs/dbraw/zinc/26/61/04/853266104.db2.gz OTMPVXSWKUJKSD-UHFFFAOYSA-N 0 0 405.458 4.479 20 5 HIBDRN C[C@@H](Cc1nc2ccccc2s1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000116096236 853282553 /nfs/dbraw/zinc/28/25/53/853282553.db2.gz OPMJINKOJKULKZ-STQMWFEESA-N 0 0 401.513 4.433 20 5 HIBDRN CC(C)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc2c(c1)OCCO2 ZINC000116153459 853287439 /nfs/dbraw/zinc/28/74/39/853287439.db2.gz ZGZQNCBVIYVGHR-UHFFFAOYSA-N 0 0 412.467 4.288 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(OC2CCCCC2)c1 ZINC000116428312 853303315 /nfs/dbraw/zinc/30/33/15/853303315.db2.gz YIDFZBQNJFVBRB-HNNXBMFYSA-N 0 0 415.515 4.498 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccnc(Sc2ccccn2)c1 ZINC000116684823 853325737 /nfs/dbraw/zinc/32/57/37/853325737.db2.gz YCLOARHEROMSKU-UHFFFAOYSA-N 0 0 409.471 4.367 20 5 HIBDRN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000117209725 853347509 /nfs/dbraw/zinc/34/75/09/853347509.db2.gz VJBWTEJCJVCTSP-UHFFFAOYSA-N 0 0 419.506 4.327 20 5 HIBDRN O=C([C@@H]1CCCN(c2nc3ccccc3s2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000117238623 853349384 /nfs/dbraw/zinc/34/93/84/853349384.db2.gz ZHELROQIRWEGFX-OAHLLOKOSA-N 0 0 408.483 4.010 20 5 HIBDRN O=C(CN1CCC[C@H]1c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000117457907 853358033 /nfs/dbraw/zinc/35/80/33/853358033.db2.gz JHWFMQHOSCQSJD-KRWDZBQOSA-N 0 0 422.254 4.272 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000133755186 853372629 /nfs/dbraw/zinc/37/26/29/853372629.db2.gz LQEYHXBNBCWHRN-UHFFFAOYSA-N 0 0 415.037 4.382 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000138473504 853387399 /nfs/dbraw/zinc/38/73/99/853387399.db2.gz BHMGXAPTNCLFHV-MRVPVSSYSA-N 0 0 404.728 4.395 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000138694006 853394446 /nfs/dbraw/zinc/39/44/46/853394446.db2.gz OZKGTCVHMHCFOR-UHFFFAOYSA-N 0 0 417.556 4.160 20 5 HIBDRN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000139896726 853426158 /nfs/dbraw/zinc/42/61/58/853426158.db2.gz XMFXJYJBBPQQJN-UHFFFAOYSA-N 0 0 416.437 4.483 20 5 HIBDRN CCOC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000140285514 853441183 /nfs/dbraw/zinc/44/11/83/853441183.db2.gz RWTYWLCWCKJUFU-MRXNPFEDSA-N 0 0 409.801 4.203 20 5 HIBDRN Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437250250 862472417 /nfs/dbraw/zinc/47/24/17/862472417.db2.gz KMUXENDMAHNJOG-HHHXNRCGSA-N 0 0 400.378 4.053 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1Cl ZINC000437250429 862473012 /nfs/dbraw/zinc/47/30/12/862473012.db2.gz XWSAKYMUFSCSES-UHFFFAOYSA-N 0 0 402.712 4.306 20 5 HIBDRN CS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc([N+](=O)[O-])c1 ZINC000145304535 853549726 /nfs/dbraw/zinc/54/97/26/853549726.db2.gz OBSNRCHTOQHEFK-UHFFFAOYSA-N 0 0 412.423 4.043 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1 ZINC000146432019 853569579 /nfs/dbraw/zinc/56/95/79/853569579.db2.gz IKAOHEFWXVQVDC-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(OCc3ccccc3)cc2)c1 ZINC000147104071 853582876 /nfs/dbraw/zinc/58/28/76/853582876.db2.gz TXBHOIAOYQJIPV-UHFFFAOYSA-N 0 0 406.438 4.155 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000147838337 853596410 /nfs/dbraw/zinc/59/64/10/853596410.db2.gz PUFVOFLOOZMYAV-QFIPXVFZSA-N 0 0 406.438 4.440 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000147992701 853598308 /nfs/dbraw/zinc/59/83/08/853598308.db2.gz HPDNZOALWGZSMP-JOCHJYFZSA-N 0 0 410.401 4.027 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000149002702 853617132 /nfs/dbraw/zinc/61/71/32/853617132.db2.gz IZHWQYZFYZMHBG-UHFFFAOYSA-N 0 0 424.766 4.383 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000150052007 853636926 /nfs/dbraw/zinc/63/69/26/853636926.db2.gz QDDOJJQPSNVZBR-GOSISDBHSA-N 0 0 404.879 4.111 20 5 HIBDRN Cc1c(NC(=O)CCN2CCn3cccc3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000164574415 853648416 /nfs/dbraw/zinc/64/84/16/853648416.db2.gz BXXOURWWAXSUOX-QHCPKHFHSA-N 0 0 404.470 4.139 20 5 HIBDRN Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)ncc1Br ZINC000165395042 853651547 /nfs/dbraw/zinc/65/15/47/853651547.db2.gz BMWHTDPBMPTPOZ-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN C[C@@H](NC(=O)c1cc2c(cc(Br)cc2F)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000195586753 853699459 /nfs/dbraw/zinc/69/94/59/853699459.db2.gz CVRCEQYHJYYIKI-SECBINFHSA-N 0 0 406.211 4.469 20 5 HIBDRN Cc1cccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000195596969 853705660 /nfs/dbraw/zinc/70/56/60/853705660.db2.gz VEFSOYKVGTUGHC-HNNXBMFYSA-N 0 0 411.439 4.314 20 5 HIBDRN O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1CCOc1ccc([N+](=O)[O-])cc1 ZINC000195597690 853705764 /nfs/dbraw/zinc/70/57/64/853705764.db2.gz ZHQCNJVHZRLNBY-UHFFFAOYSA-N 0 0 423.375 4.329 20 5 HIBDRN Cc1cc(NC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1[N+](=O)[O-] ZINC000195662274 853744750 /nfs/dbraw/zinc/74/47/50/853744750.db2.gz RXMQGJKCFNJPSI-UHFFFAOYSA-N 0 0 423.395 4.108 20 5 HIBDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000195678463 853753245 /nfs/dbraw/zinc/75/32/45/853753245.db2.gz JRDPSMJMMGAQKV-LBPRGKRZSA-N 0 0 409.305 4.197 20 5 HIBDRN Cn1ncc2c1nc(C=Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)[nH]c2=O ZINC000195689353 853759651 /nfs/dbraw/zinc/75/96/51/853759651.db2.gz BVXIWTXNGXQCHU-VQHVLOKHSA-N 0 0 423.816 4.181 20 5 HIBDRN Cc1cc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)cc([N+](=O)[O-])c1 ZINC000195692116 853761583 /nfs/dbraw/zinc/76/15/83/853761583.db2.gz UPWSZJCXAVRLMW-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H](C)c1ccccc1Br ZINC000195733106 853783906 /nfs/dbraw/zinc/78/39/06/853783906.db2.gz RDXVTXQWRGKTMB-GFCCVEGCSA-N 0 0 413.293 4.047 20 5 HIBDRN Cc1cc(C(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000195738360 853787591 /nfs/dbraw/zinc/78/75/91/853787591.db2.gz RPAOFYHUTADPAZ-NRFANRHFSA-N 0 0 400.438 4.309 20 5 HIBDRN Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCc1nc2ccccc2c2ccccc12 ZINC000208511024 853807820 /nfs/dbraw/zinc/80/78/20/853807820.db2.gz VDIURWCFWODBGE-BUVRLJJBSA-N 0 0 421.460 4.424 20 5 HIBDRN O=C(NCc1ccccc1)c1nnc(/C(Cl)=C\c2cccc([N+](=O)[O-])c2)s1 ZINC000209130298 853809513 /nfs/dbraw/zinc/80/95/13/853809513.db2.gz GMRJVQFSPFSOBV-XNTDXEJSSA-N 0 0 400.847 4.113 20 5 HIBDRN O=C(/C=C\c1nc2ccccc2s1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000212032622 853818933 /nfs/dbraw/zinc/81/89/33/853818933.db2.gz SDMQZAYRCFXCCW-KTKRTIGZSA-N 0 0 408.395 4.011 20 5 HIBDRN C[C@@H]1CCN(C(=O)COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c2ccccc2S1 ZINC000212299817 853819735 /nfs/dbraw/zinc/81/97/35/853819735.db2.gz QNOUSEODNQDOPR-MEODZPNASA-N 0 0 412.467 4.069 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000213800512 853827179 /nfs/dbraw/zinc/82/71/79/853827179.db2.gz NZVKBBZIQLUUCO-WTKPLQERSA-N 0 0 408.241 4.012 20 5 HIBDRN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000216805204 853858557 /nfs/dbraw/zinc/85/85/57/853858557.db2.gz SVEOPQKHVLRIBY-UHFFFAOYSA-N 0 0 409.398 4.055 20 5 HIBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000217220497 853861391 /nfs/dbraw/zinc/86/13/91/853861391.db2.gz ITMMKJCLTJHWDF-UHFFFAOYSA-N 0 0 415.515 4.325 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ccc(I)c(Cl)c1 ZINC000226839441 853882717 /nfs/dbraw/zinc/88/27/17/853882717.db2.gz XHGHBAUEBBUDNV-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)c(Cl)cc1Oc1ncc(I)cn1 ZINC000231650981 853897045 /nfs/dbraw/zinc/89/70/45/853897045.db2.gz FTTGXDAVHYOSPM-UHFFFAOYSA-N 0 0 411.970 4.089 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1OC ZINC000437273761 862517365 /nfs/dbraw/zinc/51/73/65/862517365.db2.gz GEFLXLYUHMJADA-GXTWGEPZSA-N 0 0 411.241 4.205 20 5 HIBDRN CC(C)(NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cn(-c2ccccc2)nn1 ZINC000236702500 853913079 /nfs/dbraw/zinc/91/30/79/853913079.db2.gz OQBHAORGKCSHKL-UHFFFAOYSA-N 0 0 403.442 4.460 20 5 HIBDRN CC(=O)N(c1nc(CNCc2ccc([N+](=O)[O-])cc2)cs1)c1ccc(F)cc1 ZINC000236792310 853923669 /nfs/dbraw/zinc/92/36/69/853923669.db2.gz ZVOFRSNYDBCNBW-UHFFFAOYSA-N 0 0 400.435 4.165 20 5 HIBDRN COc1cc(CNCc2ccccc2[N+](=O)[O-])cc(OC)c1OCc1ccccc1 ZINC000237121834 853967939 /nfs/dbraw/zinc/96/79/39/853967939.db2.gz MUGYYKVXQSWODG-UHFFFAOYSA-N 0 0 408.454 4.481 20 5 HIBDRN COc1ccccc1OCC(=O)Nc1cccc(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000237138740 853970413 /nfs/dbraw/zinc/97/04/13/853970413.db2.gz FDEMFXMCUSSOMT-UHFFFAOYSA-N 0 0 407.426 4.233 20 5 HIBDRN COc1cc(OC)c(OC)cc1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237318065 854005725 /nfs/dbraw/zinc/00/57/25/854005725.db2.gz VYWQDFMGSXTLPQ-UHFFFAOYSA-N 0 0 415.471 4.034 20 5 HIBDRN Cc1ccc(Sc2ccc(CN[C@H](C)c3nnc4n3CCC4)cc2[N+](=O)[O-])cc1 ZINC000237410371 854026597 /nfs/dbraw/zinc/02/65/97/854026597.db2.gz ZSARAKMESFDKHC-OAHLLOKOSA-N 0 0 409.515 4.443 20 5 HIBDRN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-n2cncn2)cc1 ZINC000237641550 854066809 /nfs/dbraw/zinc/06/68/09/854066809.db2.gz ZNXFLCQMEUHPMQ-AWEZNQCLSA-N 0 0 406.471 4.150 20 5 HIBDRN Cc1ccc(CN[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000237797425 854098775 /nfs/dbraw/zinc/09/87/75/854098775.db2.gz UNAQJMDTUATDAG-QFIPXVFZSA-N 0 0 410.495 4.186 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](CO)c3ccccc3)o2)c(Br)c1 ZINC000237970956 854127669 /nfs/dbraw/zinc/12/76/69/854127669.db2.gz NLEFDSVKUDAXEJ-SFHVURJKSA-N 0 0 417.259 4.441 20 5 HIBDRN O=C(N[C@H](c1ccco1)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000247318370 854157110 /nfs/dbraw/zinc/15/71/10/854157110.db2.gz LAJOLWQGBYXPJK-QFIPXVFZSA-N 0 0 405.454 4.310 20 5 HIBDRN C[C@@H](Sc1nnc(C[C@H](C)c2ccccc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000255939045 854224085 /nfs/dbraw/zinc/22/40/85/854224085.db2.gz QUARHCSAXXEWFX-UONOGXRCSA-N 0 0 412.471 4.443 20 5 HIBDRN CN(CCOc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000255943196 854225971 /nfs/dbraw/zinc/22/59/71/854225971.db2.gz HPLFSDIQKIDUJD-UHFFFAOYSA-N 0 0 413.655 4.162 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)C[C@@H]1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000261488880 854280106 /nfs/dbraw/zinc/28/01/06/854280106.db2.gz XHBXZYBNESITDG-PXNSSMCTSA-N 0 0 410.470 4.214 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000301058977 854283667 /nfs/dbraw/zinc/28/36/67/854283667.db2.gz OPIQXUPFBPNNFI-MRXNPFEDSA-N 0 0 405.454 4.394 20 5 HIBDRN O=[N+]([O-])c1c(Sc2nnc(-c3cccnc3)n2-c2ccccc2)nc2sccn21 ZINC000301060109 854283730 /nfs/dbraw/zinc/28/37/30/854283730.db2.gz AKDOHJIRLYEOQL-UHFFFAOYSA-N 0 0 421.467 4.098 20 5 HIBDRN O=[N+]([O-])c1cc(F)ccc1Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000301063755 854284658 /nfs/dbraw/zinc/28/46/58/854284658.db2.gz BYOHJOJCXMIQAI-OAHLLOKOSA-N 0 0 418.425 4.462 20 5 HIBDRN CC(=O)c1ccc(N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000301066939 854285475 /nfs/dbraw/zinc/28/54/75/854285475.db2.gz FEOTYVWSTVMHPP-UHFFFAOYSA-N 0 0 422.268 4.067 20 5 HIBDRN O=[N+]([O-])c1cccnc1Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000301071204 854286899 /nfs/dbraw/zinc/28/68/99/854286899.db2.gz FULQLPIIMPYJBI-UHFFFAOYSA-N 0 0 410.846 4.437 20 5 HIBDRN C[C@@H](SCc1nnnn1-c1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC000437294048 862550164 /nfs/dbraw/zinc/55/01/64/862550164.db2.gz QNUOIRXCUKUYFP-LLVKDONJSA-N 0 0 420.292 4.327 20 5 HIBDRN O=C(c1cc(NCc2cc(Br)cs2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301106542 854298008 /nfs/dbraw/zinc/29/80/08/854298008.db2.gz MKOIYWDUYXCHOT-UHFFFAOYSA-N 0 0 410.293 4.267 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000301111963 854299653 /nfs/dbraw/zinc/29/96/53/854299653.db2.gz KXJSAKOVTFYPFZ-MRXNPFEDSA-N 0 0 422.485 4.131 20 5 HIBDRN O=[N+]([O-])c1c(Sc2nnc(-c3ccco3)n2-c2ccccc2)nc2sccn21 ZINC000301110595 854299681 /nfs/dbraw/zinc/29/96/81/854299681.db2.gz WATGXRMILNTWEC-UHFFFAOYSA-N 0 0 410.440 4.296 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)C[C@@H](C)O1 ZINC000301118721 854301627 /nfs/dbraw/zinc/30/16/27/854301627.db2.gz NAEMUYIVDDNYAF-HZPDHXFCSA-N 0 0 420.469 4.005 20 5 HIBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000301119788 854303095 /nfs/dbraw/zinc/30/30/95/854303095.db2.gz NHQUAMCAHUCXCD-INIZCTEOSA-N 0 0 422.485 4.131 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H](c1ccccc1)c1ccccn1 ZINC000301230504 854334764 /nfs/dbraw/zinc/33/47/64/854334764.db2.gz HGXZXAPNEFVYHU-GOSISDBHSA-N 0 0 419.409 4.188 20 5 HIBDRN Cc1nc(CN2CCC(CNc3ccc(Br)cc3[N+](=O)[O-])CC2)oc1C ZINC000301254532 854340458 /nfs/dbraw/zinc/34/04/58/854340458.db2.gz NINVYWAWBJTMEY-UHFFFAOYSA-N 0 0 423.311 4.286 20 5 HIBDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301267593 854344471 /nfs/dbraw/zinc/34/44/71/854344471.db2.gz PYWPRVPMLQQMAT-NSHDSACASA-N 0 0 402.394 4.060 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000301272259 854345139 /nfs/dbraw/zinc/34/51/39/854345139.db2.gz JYQXVXSMNWELLF-CYBMUJFWSA-N 0 0 407.386 4.323 20 5 HIBDRN C[C@H](c1cc(F)ccc1F)N(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301275274 854346202 /nfs/dbraw/zinc/34/62/02/854346202.db2.gz OTJRKCYTPQUCFH-SECBINFHSA-N 0 0 406.357 4.067 20 5 HIBDRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301280097 854346779 /nfs/dbraw/zinc/34/67/79/854346779.db2.gz PRLKGLAKSBTSBC-LLVKDONJSA-N 0 0 402.394 4.215 20 5 HIBDRN O=C(NCc1ccco1)[C@@H]1CCCN1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301295669 854350639 /nfs/dbraw/zinc/35/06/39/854350639.db2.gz VNOZKHIMVCNQJU-ZDUSSCGKSA-N 0 0 417.771 4.145 20 5 HIBDRN CC(C)NC(=O)c1ccc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000301305414 854353286 /nfs/dbraw/zinc/35/32/86/854353286.db2.gz XYXWNHZNXGPQNO-QGZVFWFLSA-N 0 0 412.273 4.185 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c2ccncc21 ZINC000301316095 854355992 /nfs/dbraw/zinc/35/59/92/854355992.db2.gz NCIIEKOXXZPTGT-CYBMUJFWSA-N 0 0 400.385 4.435 20 5 HIBDRN C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301322452 854359260 /nfs/dbraw/zinc/35/92/60/854359260.db2.gz IBDDWOCKXRWQQC-YOEHRIQHSA-N 0 0 408.433 4.081 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(N2CCOC2=O)c1 ZINC000301387056 854379443 /nfs/dbraw/zinc/37/94/43/854379443.db2.gz XNKQRTPVKQWPOW-LLVKDONJSA-N 0 0 406.236 4.487 20 5 HIBDRN O=[N+]([O-])c1ccc(Oc2cc(-c3ccccc3)nc3ncnn32)c(Br)c1 ZINC000301390130 854380601 /nfs/dbraw/zinc/38/06/01/854380601.db2.gz YTPKTCXVNAPQLM-UHFFFAOYSA-N 0 0 412.203 4.254 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccc(F)cc2F)C2CCCC2)cc1[N+](=O)[O-] ZINC000437300608 862558971 /nfs/dbraw/zinc/55/89/71/862558971.db2.gz DGSPDXHIRMUXOS-UHFFFAOYSA-N 0 0 417.412 4.091 20 5 HIBDRN Cc1cnc(NCC2(c3cccc(Br)c3)CCOCC2)c([N+](=O)[O-])c1 ZINC000301426494 854391181 /nfs/dbraw/zinc/39/11/81/854391181.db2.gz GYNQPSNJMQBUNC-UHFFFAOYSA-N 0 0 406.280 4.221 20 5 HIBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000301430280 854391995 /nfs/dbraw/zinc/39/19/95/854391995.db2.gz GEIWVABFRRLWHA-ZDUSSCGKSA-N 0 0 416.384 4.316 20 5 HIBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c1 ZINC000301452458 854397986 /nfs/dbraw/zinc/39/79/86/854397986.db2.gz UOTSJSSQLNCWBG-OAHLLOKOSA-N 0 0 416.453 4.089 20 5 HIBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@H](c3cccc(Br)c3)C2)c1 ZINC000301461713 854400290 /nfs/dbraw/zinc/40/02/90/854400290.db2.gz ZRZRBKVUQLDRPB-INIZCTEOSA-N 0 0 411.227 4.083 20 5 HIBDRN CCc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cn2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000301481051 854404439 /nfs/dbraw/zinc/40/44/39/854404439.db2.gz WMAGJSXWMIFRMV-OAQYLSRUSA-N 0 0 411.483 4.157 20 5 HIBDRN C[C@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000301483286 854405510 /nfs/dbraw/zinc/40/55/10/854405510.db2.gz ULMYTNVZLWKKKA-VBKZILBWSA-N 0 0 408.433 4.286 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000301498741 854407816 /nfs/dbraw/zinc/40/78/16/854407816.db2.gz VUGYXGILCATQDB-GFCCVEGCSA-N 0 0 407.829 4.033 20 5 HIBDRN O=c1c(Cl)c(N2CCSC3(CCCCC3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000301509915 854410625 /nfs/dbraw/zinc/41/06/25/854410625.db2.gz BAUJCIYRBHPHFP-UHFFFAOYSA-N 0 0 420.922 4.050 20 5 HIBDRN Cc1ccc([C@@H]2CCCN2c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1C ZINC000301522459 854412216 /nfs/dbraw/zinc/41/22/16/854412216.db2.gz HLKUQEDPYUKPIH-FQEVSTJZSA-N 0 0 409.486 4.026 20 5 HIBDRN CCS[C@@H]1CCCC[C@H]1Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301527474 854413430 /nfs/dbraw/zinc/41/34/30/854413430.db2.gz GOGWZFBMCMBHIM-GDBMZVCRSA-N 0 0 408.911 4.270 20 5 HIBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(N2CCCC2=O)cc1 ZINC000301534042 854415163 /nfs/dbraw/zinc/41/51/63/854415163.db2.gz MCLAMXPJUXAFQW-LLVKDONJSA-N 0 0 405.252 4.052 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1C(F)(F)F ZINC000301548822 854417922 /nfs/dbraw/zinc/41/79/22/854417922.db2.gz FZIXPTHSAAOGTA-IUODEOHRSA-N 0 0 402.394 4.004 20 5 HIBDRN CCS[C@@H]1CCC[C@@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 ZINC000301550059 854418984 /nfs/dbraw/zinc/41/89/84/854418984.db2.gz QRHPMCTZLDVBQW-IUODEOHRSA-N 0 0 408.911 4.270 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1C(F)(F)F ZINC000301548824 854419221 /nfs/dbraw/zinc/41/92/21/854419221.db2.gz FZIXPTHSAAOGTA-WFASDCNBSA-N 0 0 402.394 4.004 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1ncc([N+](=O)[O-])cc1Cl ZINC000301584152 854424477 /nfs/dbraw/zinc/42/44/77/854424477.db2.gz UOGHFDXDAHEAFY-UHFFFAOYSA-N 0 0 403.653 4.415 20 5 HIBDRN CC(C)[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1cccnc1 ZINC000301599578 854427089 /nfs/dbraw/zinc/42/70/89/854427089.db2.gz YHIPBTGBPJAGQV-KRWDZBQOSA-N 0 0 413.865 4.041 20 5 HIBDRN CS(=O)(=O)c1ccc(N[C@@H](c2ccccc2)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000301602732 854427957 /nfs/dbraw/zinc/42/79/57/854427957.db2.gz KMFFDIOZXYBREO-FQEVSTJZSA-N 0 0 400.431 4.339 20 5 HIBDRN Cc1cc(N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)ncc1[N+](=O)[O-] ZINC000301619130 854431147 /nfs/dbraw/zinc/43/11/47/854431147.db2.gz LRIWNTYIOWQMJP-LLVKDONJSA-N 0 0 401.776 4.056 20 5 HIBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000301633285 854433552 /nfs/dbraw/zinc/43/35/52/854433552.db2.gz KBLQLNJOQHSKCG-CABCVRRESA-N 0 0 400.479 4.273 20 5 HIBDRN COc1cc(N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])cc1F ZINC000301652660 854437480 /nfs/dbraw/zinc/43/74/80/854437480.db2.gz TXYIXVGKZNWISA-QGZVFWFLSA-N 0 0 400.328 4.339 20 5 HIBDRN Cc1nc(Sc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000301651169 854437580 /nfs/dbraw/zinc/43/75/80/854437580.db2.gz QBRVZWJHILZHTJ-LBPRGKRZSA-N 0 0 418.910 4.306 20 5 HIBDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccn3)n2-c2ccccc2)c(Cl)c1 ZINC000301657027 854438138 /nfs/dbraw/zinc/43/81/38/854438138.db2.gz BFDZUXQCGCFLFK-UHFFFAOYSA-N 0 0 410.846 4.437 20 5 HIBDRN Cc1nc(N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000301663327 854440094 /nfs/dbraw/zinc/44/00/94/854440094.db2.gz NKAXHKYXWYTRGE-OAHLLOKOSA-N 0 0 408.380 4.093 20 5 HIBDRN Cc1ccc([C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000301679118 854443057 /nfs/dbraw/zinc/44/30/57/854443057.db2.gz UIODEURGMIGUFP-OAQYLSRUSA-N 0 0 411.483 4.212 20 5 HIBDRN Cc1cccc(-c2nnc(Sc3ncc(Br)cc3[N+](=O)[O-])n2C)c1 ZINC000301692389 854446015 /nfs/dbraw/zinc/44/60/15/854446015.db2.gz OEAOIJDOBDCFHD-UHFFFAOYSA-N 0 0 406.265 4.007 20 5 HIBDRN COC(=O)c1cc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc(C)c1[N+](=O)[O-] ZINC000301693506 854446134 /nfs/dbraw/zinc/44/61/34/854446134.db2.gz OPUXFJDMHBMMTK-KRWDZBQOSA-N 0 0 408.813 4.060 20 5 HIBDRN O=C1COc2cc([N+](=O)[O-])c(NCC3(c4cccc(C(F)(F)F)c4)CC3)cc2N1 ZINC000301690790 854446380 /nfs/dbraw/zinc/44/63/80/854446380.db2.gz NMJYGUPPSOPCBI-UHFFFAOYSA-N 0 0 407.348 4.088 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000301690774 854446391 /nfs/dbraw/zinc/44/63/91/854446391.db2.gz NLDRDWNRWFQXGR-GFCCVEGCSA-N 0 0 407.051 4.205 20 5 HIBDRN Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])c(C)n3)nnc2-c2ccccn2)cc1 ZINC000301697892 854447390 /nfs/dbraw/zinc/44/73/90/854447390.db2.gz CVAAEQNGALPBET-UHFFFAOYSA-N 0 0 404.455 4.401 20 5 HIBDRN Cc1cc(Nc2ncc(Br)cc2[N+](=O)[O-])ccc1OC1CCOCC1 ZINC000301704382 854448686 /nfs/dbraw/zinc/44/86/86/854448686.db2.gz VCCHGSBIKIJJHK-UHFFFAOYSA-N 0 0 408.252 4.362 20 5 HIBDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccn3)n2Cc2ccco2)c(Cl)c1 ZINC000301718847 854451810 /nfs/dbraw/zinc/45/18/10/854451810.db2.gz OXVJMJGJWADTNP-UHFFFAOYSA-N 0 0 414.834 4.089 20 5 HIBDRN O=[N+]([O-])c1ccccc1Sc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1 ZINC000301724017 854452865 /nfs/dbraw/zinc/45/28/65/854452865.db2.gz SSZISTSIYBTENZ-UHFFFAOYSA-N 0 0 410.846 4.437 20 5 HIBDRN COc1ccc(-n2c(Sc3cc(C)c([N+](=O)[O-])cn3)nnc2-c2ccco2)cc1 ZINC000301732538 854454509 /nfs/dbraw/zinc/45/45/09/854454509.db2.gz YLQDIXWEODAANS-UHFFFAOYSA-N 0 0 409.427 4.299 20 5 HIBDRN O=C(NC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c2cnccc21)Nc1ccccc1 ZINC000301749682 854458656 /nfs/dbraw/zinc/45/86/56/854458656.db2.gz AIBCZEBTSKMMIZ-KRWDZBQOSA-N 0 0 405.458 4.324 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1)Nc1cccc(F)c1 ZINC000301768471 854461923 /nfs/dbraw/zinc/46/19/23/854461923.db2.gz DTRHEGHUSRZGGT-LBPRGKRZSA-N 0 0 408.380 4.050 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3nc4cc(C(F)(F)F)ccc4s3)C2)nc1 ZINC000301778021 854463685 /nfs/dbraw/zinc/46/36/85/854463685.db2.gz HJWJSIGHEGSUJR-LLVKDONJSA-N 0 0 409.393 4.309 20 5 HIBDRN Cc1cc(Oc2ccc(C(=O)N3CCCC3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301814597 854470158 /nfs/dbraw/zinc/47/01/58/854470158.db2.gz GEIHYJBDQZHJBX-UHFFFAOYSA-N 0 0 404.426 4.389 20 5 HIBDRN Cc1nc(COc2ccc(Nc3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)no1 ZINC000301829115 854472177 /nfs/dbraw/zinc/47/21/77/854472177.db2.gz ORTHADCGCUHEFU-UHFFFAOYSA-N 0 0 418.413 4.374 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCOC[C@H]2C[C@@H](O)c2cccs2)nc1-c1ccccc1 ZINC000301856472 854477469 /nfs/dbraw/zinc/47/74/69/854477469.db2.gz IORQGJANZXTJOX-SJLPKXTDSA-N 0 0 411.483 4.047 20 5 HIBDRN O=C(c1cc(N[C@@H]2CCCN(c3ccccc3F)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301866765 854479406 /nfs/dbraw/zinc/47/94/06/854479406.db2.gz HLUKMGPOSWGOSM-QGZVFWFLSA-N 0 0 412.465 4.051 20 5 HIBDRN CC(C)(C)Oc1cc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000301866064 854479471 /nfs/dbraw/zinc/47/94/71/854479471.db2.gz HFYMLLYVPYMESR-INIZCTEOSA-N 0 0 416.453 4.312 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N1CCc2c(Br)cccc2C1 ZINC000301873769 854482316 /nfs/dbraw/zinc/48/23/16/854482316.db2.gz LMVYTDNRODZMBZ-UHFFFAOYSA-N 0 0 413.069 4.078 20 5 HIBDRN C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(-c4ccccc4)n3)cn2)C[C@H](C)O1 ZINC000301876314 854482495 /nfs/dbraw/zinc/48/24/95/854482495.db2.gz NFJPSUSJZBDBMP-IRXDYDNUSA-N 0 0 419.485 4.278 20 5 HIBDRN C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)cn2)CCO1 ZINC000301878427 854483319 /nfs/dbraw/zinc/48/33/19/854483319.db2.gz LBCSDPGBLCEXPH-HNNXBMFYSA-N 0 0 400.479 4.004 20 5 HIBDRN Cc1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)c(I)n1 ZINC000301880129 854483340 /nfs/dbraw/zinc/48/33/40/854483340.db2.gz ZRGBAFSCEQIMBZ-UHFFFAOYSA-N 0 0 407.167 4.243 20 5 HIBDRN C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)cn2)C[C@@H](C)O1 ZINC000301882097 854484370 /nfs/dbraw/zinc/48/43/70/854484370.db2.gz MQAYFJYQOBPEFS-HZPDHXFCSA-N 0 0 414.506 4.393 20 5 HIBDRN Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H](c2cccc(F)c2)c2ccccn2)c1[N+](=O)[O-] ZINC000301889130 854485293 /nfs/dbraw/zinc/48/52/93/854485293.db2.gz NGYOVQADKUMWPL-SFHVURJKSA-N 0 0 412.377 4.039 20 5 HIBDRN CN1CCO[C@H]([C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2ccc(Cl)cc2)C1 ZINC000301898085 854488372 /nfs/dbraw/zinc/48/83/72/854488372.db2.gz RVEBKCDWYJUUGW-LEWJYISDSA-N 0 0 412.877 4.280 20 5 HIBDRN COc1cc(F)c([N+](=O)[O-])c(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)c1 ZINC000301925256 854494249 /nfs/dbraw/zinc/49/42/49/854494249.db2.gz INEOWKUQURHYIX-UHFFFAOYSA-N 0 0 403.387 4.368 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCc3c2ccc(Cl)c3Cl)s1 ZINC000301934318 854497768 /nfs/dbraw/zinc/49/77/68/854497768.db2.gz OFNBXMDTYRSVOQ-JTQLQIEISA-N 0 0 407.300 4.466 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c2ncccc12 ZINC000301948358 854502075 /nfs/dbraw/zinc/50/20/75/854502075.db2.gz BMWAGVYRJIODHG-CYBMUJFWSA-N 0 0 404.348 4.215 20 5 HIBDRN CCOc1cc(N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000301948585 854502218 /nfs/dbraw/zinc/50/22/18/854502218.db2.gz FEYGPHZUFAPTPV-HNNXBMFYSA-N 0 0 416.453 4.171 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c2ncccc12 ZINC000301948359 854502510 /nfs/dbraw/zinc/50/25/10/854502510.db2.gz BMWAGVYRJIODHG-ZDUSSCGKSA-N 0 0 404.348 4.215 20 5 HIBDRN COC(=O)c1sc(Sc2ccc(Br)cc2[N+](=O)[O-])nc1Cl ZINC000301952583 854503011 /nfs/dbraw/zinc/50/30/11/854503011.db2.gz IOFACJODMMSBBY-UHFFFAOYSA-N 0 0 409.670 4.405 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(NCc3ccc(Br)cc3C(F)(F)F)nn21 ZINC000301969526 854506673 /nfs/dbraw/zinc/50/66/73/854506673.db2.gz QLLOBYYNFUENKJ-UHFFFAOYSA-N 0 0 416.157 4.031 20 5 HIBDRN COc1cc(N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)cc1[N+](=O)[O-] ZINC000301985758 854509192 /nfs/dbraw/zinc/50/91/92/854509192.db2.gz ZASUYDPUODNKNF-CYBMUJFWSA-N 0 0 416.384 4.316 20 5 HIBDRN O=C(c1cc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301986581 854510053 /nfs/dbraw/zinc/51/00/53/854510053.db2.gz KEOLZFJAADLYDG-AZUAARDMSA-N 0 0 415.877 4.426 20 5 HIBDRN O=[N+]([O-])c1ccsc1NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000301989075 854510167 /nfs/dbraw/zinc/51/01/67/854510167.db2.gz LWXXRZJUDJJFEX-OAHLLOKOSA-N 0 0 401.410 4.161 20 5 HIBDRN Cc1cc(N2CCC(C(=O)NCCc3cccs3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301987817 854510375 /nfs/dbraw/zinc/51/03/75/854510375.db2.gz DQEQFNXLWPLQHC-UHFFFAOYSA-N 0 0 424.526 4.088 20 5 HIBDRN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000302019191 854517432 /nfs/dbraw/zinc/51/74/32/854517432.db2.gz ZWMUJHWIFUKYGK-ZDUSSCGKSA-N 0 0 420.404 4.202 20 5 HIBDRN C[C@@H]1CCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)[C@@H](c2ccco2)C1 ZINC000302032445 854518621 /nfs/dbraw/zinc/51/86/21/854518621.db2.gz KOOBGBRBSJJTEV-CZUORRHYSA-N 0 0 414.849 4.365 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@H]2CCCOc3c(F)cccc32)c([N+](=O)[O-])c1 ZINC000302037125 854519660 /nfs/dbraw/zinc/51/96/60/854519660.db2.gz KHPIVTNKSKSJOD-INIZCTEOSA-N 0 0 410.405 4.024 20 5 HIBDRN O=C(c1cc(N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000302034211 854519856 /nfs/dbraw/zinc/51/98/56/854519856.db2.gz TXOSKEWESQMCFJ-QUCCMNQESA-N 0 0 417.412 4.051 20 5 HIBDRN COc1cc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000302057383 854523399 /nfs/dbraw/zinc/52/33/99/854523399.db2.gz RDIIEPIRVYTKPK-QGZVFWFLSA-N 0 0 400.328 4.339 20 5 HIBDRN CCOc1cccc(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000302103446 854530928 /nfs/dbraw/zinc/53/09/28/854530928.db2.gz MGMFKOAQEMRLQZ-QGZVFWFLSA-N 0 0 412.490 4.340 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(NC3CCN(Cc4cc(Cl)cc(Cl)c4)CC3)nn21 ZINC000302116809 854532519 /nfs/dbraw/zinc/53/25/19/854532519.db2.gz CIEGICOEYSCQKQ-UHFFFAOYSA-N 0 0 421.288 4.021 20 5 HIBDRN C[C@@H]1C[C@H](c2cccnc2)N(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000302126527 854534006 /nfs/dbraw/zinc/53/40/06/854534006.db2.gz IMPDMEKNGIPKLU-IAQYHMDHSA-N 0 0 409.227 4.182 20 5 HIBDRN O=c1c2ccccc2nc(Sc2ncc([N+](=O)[O-])cn2)n1CCC1=CCCCC1 ZINC000302139760 854535587 /nfs/dbraw/zinc/53/55/87/854535587.db2.gz DHITZKMNMNCIDG-UHFFFAOYSA-N 0 0 409.471 4.136 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCO[C@]3(CCc4ccccc43)C2)nc1OCc1ccccc1 ZINC000302167338 854540743 /nfs/dbraw/zinc/54/07/43/854540743.db2.gz KFRVFQHARCOUJA-XMMPIXPASA-N 0 0 417.465 4.247 20 5 HIBDRN CC(=O)c1ccc(N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000302224088 854552653 /nfs/dbraw/zinc/55/26/53/854552653.db2.gz UMBLBGLLSADGDO-OAHLLOKOSA-N 0 0 421.375 4.029 20 5 HIBDRN C[C@H]1CCCN(C(=O)C2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000302235489 854555419 /nfs/dbraw/zinc/55/54/19/854555419.db2.gz IEEUSBJFSSHXHS-LBPRGKRZSA-N 0 0 400.306 4.377 20 5 HIBDRN CC(C)NC(=O)c1ccc(N2Cc3cccc(Br)c3C2)c([N+](=O)[O-])c1 ZINC000302304071 854561612 /nfs/dbraw/zinc/56/16/12/854561612.db2.gz ZBGKZIDWMCMTKF-UHFFFAOYSA-N 0 0 404.264 4.016 20 5 HIBDRN Cc1nc(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000302350076 854563314 /nfs/dbraw/zinc/56/33/14/854563314.db2.gz DEGSGTRPDPULAA-UHFFFAOYSA-N 0 0 408.380 4.034 20 5 HIBDRN O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000302466600 854573308 /nfs/dbraw/zinc/57/33/08/854573308.db2.gz VYFDFHFZPCONGJ-UHFFFAOYSA-N 0 0 411.355 4.469 20 5 HIBDRN CC(=O)c1ccc(N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c([N+](=O)[O-])c1 ZINC000302463564 854573369 /nfs/dbraw/zinc/57/33/69/854573369.db2.gz VMVYTNJMGPAOEN-GOSISDBHSA-N 0 0 423.238 4.277 20 5 HIBDRN Cc1cccc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1[N+](=O)[O-] ZINC000302480952 854574366 /nfs/dbraw/zinc/57/43/66/854574366.db2.gz GLYMFTVLRUCCFK-CYBMUJFWSA-N 0 0 405.380 4.349 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000302506769 854577995 /nfs/dbraw/zinc/57/79/95/854577995.db2.gz DYKPXGDLKSMQAN-BLVKFPJESA-N 0 0 401.850 4.099 20 5 HIBDRN O=[N+]([O-])c1ccc(I)c(Oc2cc(Cl)nc(C3CC3)n2)c1 ZINC000302537042 854581461 /nfs/dbraw/zinc/58/14/61/854581461.db2.gz MXVTUUIDKCCAKO-UHFFFAOYSA-N 0 0 417.590 4.313 20 5 HIBDRN O=c1c(Cl)c(NCc2ccc(Cl)cc2F)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000302558058 854585643 /nfs/dbraw/zinc/58/56/43/854585643.db2.gz YXSSUGAIWRBWLU-UHFFFAOYSA-N 0 0 409.204 4.199 20 5 HIBDRN CC(C)c1nnc2n1CCN(c1ccc(C(=O)c3ccccc3)cc1[N+](=O)[O-])[C@@H]2C ZINC000302566838 854586582 /nfs/dbraw/zinc/58/65/82/854586582.db2.gz OXZPZXABHXVWJD-OAHLLOKOSA-N 0 0 405.458 4.122 20 5 HIBDRN Cc1sc(CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)nc1-c1ccccc1 ZINC000302636862 854595500 /nfs/dbraw/zinc/59/55/00/854595500.db2.gz KJBPWGIBFGZKBN-UHFFFAOYSA-N 0 0 417.512 4.085 20 5 HIBDRN CCOc1cc(C(=O)N(C)Cc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000302639380 854596632 /nfs/dbraw/zinc/59/66/32/854596632.db2.gz XXBTYSQUVHKWPD-UHFFFAOYSA-N 0 0 423.263 4.037 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCc2cc(Br)ccc2C1 ZINC000302646278 854597913 /nfs/dbraw/zinc/59/79/13/854597913.db2.gz ARUZQHPELXLPQD-UHFFFAOYSA-N 0 0 413.069 4.078 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000302669456 854601792 /nfs/dbraw/zinc/60/17/92/854601792.db2.gz VIKCMXBSFSKXOX-IBGZPJMESA-N 0 0 412.446 4.006 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000302684262 854604214 /nfs/dbraw/zinc/60/42/14/854604214.db2.gz FYQSVEKNKYURLU-HXUWFJFHSA-N 0 0 400.438 4.341 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCCCOCC(C)C)cc2[N+](=O)[O-])n1 ZINC000302688137 854605227 /nfs/dbraw/zinc/60/52/27/854605227.db2.gz MMRVFWZNYCNMGA-UHFFFAOYSA-N 0 0 409.533 4.303 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1Cl ZINC000302735845 854616571 /nfs/dbraw/zinc/61/65/71/854616571.db2.gz ZIQWQNCWBPDJJZ-UHFFFAOYSA-N 0 0 406.641 4.207 20 5 HIBDRN O=C1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCCN1Cc1ccc(F)cc1F ZINC000302741427 854618682 /nfs/dbraw/zinc/61/86/82/854618682.db2.gz CYWVWDNJTBLYSN-LJQANCHMSA-N 0 0 412.396 4.024 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(O)(c3ccccc3Cl)CC2)c(Br)c1 ZINC000302828131 854647460 /nfs/dbraw/zinc/64/74/60/854647460.db2.gz IKZMVVMQWUVHOJ-UHFFFAOYSA-N 0 0 411.683 4.499 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000302843350 854652517 /nfs/dbraw/zinc/65/25/17/854652517.db2.gz JFBKSWGTNKYRQX-INIZCTEOSA-N 0 0 416.499 4.348 20 5 HIBDRN Cc1nc(N[C@@H](C)c2cccc(O)c2)nc(N[C@@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000302879091 854664785 /nfs/dbraw/zinc/66/47/85/854664785.db2.gz HLKFZTDFWHAZMI-STQMWFEESA-N 0 0 409.446 4.451 20 5 HIBDRN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC(OCc2ccccc2)CC1 ZINC000302896391 854670232 /nfs/dbraw/zinc/67/02/32/854670232.db2.gz ODAWBJHMDOFNTK-UHFFFAOYSA-N 0 0 419.275 4.179 20 5 HIBDRN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437325568 862592243 /nfs/dbraw/zinc/59/22/43/862592243.db2.gz OZZLPOPOZLFKJY-NYHFZMIOSA-N 0 0 424.453 4.396 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(C(F)(F)F)c1 ZINC000303070695 854747396 /nfs/dbraw/zinc/74/73/96/854747396.db2.gz OTKDTBMGJLIIIR-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN CC(C)COC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccco1 ZINC000303110611 854765302 /nfs/dbraw/zinc/76/53/02/854765302.db2.gz KSWKGCDULCXLHG-HXUWFJFHSA-N 0 0 418.493 4.278 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000303137000 854779378 /nfs/dbraw/zinc/77/93/78/854779378.db2.gz JTGGSLXEHRGUGL-UONOGXRCSA-N 0 0 415.877 4.119 20 5 HIBDRN O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000303249359 854834409 /nfs/dbraw/zinc/83/44/09/854834409.db2.gz BMLBDFPIACBQTG-UHFFFAOYSA-N 0 0 413.434 4.003 20 5 HIBDRN Cc1ccc(-n2nc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)c3c2CCCC3)cc1 ZINC000303273189 854845605 /nfs/dbraw/zinc/84/56/05/854845605.db2.gz HYNUWZVMVJTRIC-UHFFFAOYSA-N 0 0 402.454 4.171 20 5 HIBDRN O=C(Nc1nc2c(ccc3ccccc23)s1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000303337801 854880835 /nfs/dbraw/zinc/88/08/35/854880835.db2.gz CONALJHMUYBBDS-UHFFFAOYSA-N 0 0 416.422 4.191 20 5 HIBDRN CCCCCN(Cc1ccc(F)cc1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000303376188 854898966 /nfs/dbraw/zinc/89/89/66/854898966.db2.gz KRDRZTCRDJTUKT-UHFFFAOYSA-N 0 0 411.437 4.147 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000303434728 854935683 /nfs/dbraw/zinc/93/56/83/854935683.db2.gz FTXKAFYHLUYDML-UHFFFAOYSA-N 0 0 419.485 4.026 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000303439873 854939872 /nfs/dbraw/zinc/93/98/72/854939872.db2.gz BSGYYSAZQMIMPZ-UHFFFAOYSA-N 0 0 410.449 4.423 20 5 HIBDRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303448352 854947176 /nfs/dbraw/zinc/94/71/76/854947176.db2.gz DKKFUGZAHAVLEO-CYBMUJFWSA-N 0 0 418.375 4.160 20 5 HIBDRN Cc1c(OCc2noc(Cc3ccc(Br)cc3)n2)cccc1[N+](=O)[O-] ZINC000303458253 854958559 /nfs/dbraw/zinc/95/85/59/854958559.db2.gz LCLZKLKZEZZECD-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000303555938 855037693 /nfs/dbraw/zinc/03/76/93/855037693.db2.gz WQOAEFBMGXDLBU-INIZCTEOSA-N 0 0 405.857 4.090 20 5 HIBDRN CCOC[C@H]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000303565598 855044135 /nfs/dbraw/zinc/04/41/35/855044135.db2.gz INFAFHJFYOMSNH-IRXDYDNUSA-N 0 0 412.490 4.052 20 5 HIBDRN Cc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000303596170 855068352 /nfs/dbraw/zinc/06/83/52/855068352.db2.gz PPBSJTKTBKGZNL-UHFFFAOYSA-N 0 0 419.684 4.144 20 5 HIBDRN CCc1ccc(OCC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)c([N+](=O)[O-])c1 ZINC000303650794 855106531 /nfs/dbraw/zinc/10/65/31/855106531.db2.gz UDLSUUBHHKWNNL-UHFFFAOYSA-N 0 0 408.454 4.356 20 5 HIBDRN COc1ccc(CSCC(=O)N(CC(F)(F)F)c2ccccc2)cc1[N+](=O)[O-] ZINC000303663072 855115335 /nfs/dbraw/zinc/11/53/35/855115335.db2.gz HXFCQOUWGHMRGG-UHFFFAOYSA-N 0 0 414.405 4.432 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)c1[N+](=O)[O-] ZINC000303724651 855152486 /nfs/dbraw/zinc/15/24/86/855152486.db2.gz BUHDDPPCFTXTOS-UHFFFAOYSA-N 0 0 422.420 4.129 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000303734898 855160195 /nfs/dbraw/zinc/16/01/95/855160195.db2.gz GDCIGMYGCVEMCA-RTBURBONSA-N 0 0 414.527 4.364 20 5 HIBDRN O=C(CSCc1cscn1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000437364058 862651459 /nfs/dbraw/zinc/65/14/59/862651459.db2.gz IOSKCAKKNPKLET-UHFFFAOYSA-N 0 0 413.480 4.154 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCN(Cc2ccccc2)c2ccccc21 ZINC000303836910 855234256 /nfs/dbraw/zinc/23/42/56/855234256.db2.gz IHBWYAGMTDQSJQ-UHFFFAOYSA-N 0 0 423.494 4.200 20 5 HIBDRN O=[N+]([O-])c1cnn(CCSc2ncnc3cc(-c4ccc(F)cc4)sc32)c1 ZINC000303859527 855254993 /nfs/dbraw/zinc/25/49/93/855254993.db2.gz GGHMUYFDTWCIQF-UHFFFAOYSA-N 0 0 401.448 4.394 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccccc1OCC1CC1 ZINC000303868677 855260762 /nfs/dbraw/zinc/26/07/62/855260762.db2.gz XKYFALREIFKHJJ-UHFFFAOYSA-N 0 0 412.489 4.260 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCCC[C@@H]1c1ccco1 ZINC000303878425 855265628 /nfs/dbraw/zinc/26/56/28/855265628.db2.gz QTEMOYHFWLCISW-MRXNPFEDSA-N 0 0 413.430 4.020 20 5 HIBDRN Cc1nn(CCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)c(C)c1[N+](=O)[O-] ZINC000303913865 855286480 /nfs/dbraw/zinc/28/64/80/855286480.db2.gz UURGYSUQFRVGDX-FQEVSTJZSA-N 0 0 410.449 4.038 20 5 HIBDRN Cn1ccnc1[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000437369765 862664228 /nfs/dbraw/zinc/66/42/28/862664228.db2.gz GAEAOXAXQQRFIF-INIZCTEOSA-N 0 0 422.338 4.006 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H](C)Cc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000303958260 855320300 /nfs/dbraw/zinc/32/03/00/855320300.db2.gz LOXPOCCEHSMHIC-MRXNPFEDSA-N 0 0 402.516 4.201 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000303965912 855326947 /nfs/dbraw/zinc/32/69/47/855326947.db2.gz QDMWKFADBJKATP-AOMKIAJQSA-N 0 0 409.486 4.388 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000304061725 855346959 /nfs/dbraw/zinc/34/69/59/855346959.db2.gz RFPDHZOJIMIYQO-KRWDZBQOSA-N 0 0 422.268 4.074 20 5 HIBDRN CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000304113903 855355010 /nfs/dbraw/zinc/35/50/10/855355010.db2.gz ZGSTYHSCZKDTEI-UHFFFAOYSA-N 0 0 407.264 4.207 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cc(F)c(Br)cc2Cl)n1 ZINC000324142422 855397660 /nfs/dbraw/zinc/39/76/60/855397660.db2.gz MUAPLGPORCTTBT-UHFFFAOYSA-N 0 0 405.563 4.124 20 5 HIBDRN CCN(Cc1ccccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)=O ZINC000437375327 862678213 /nfs/dbraw/zinc/67/82/13/862678213.db2.gz PTWGHAAMJSABLF-UHFFFAOYSA-N 0 0 410.474 4.160 20 5 HIBDRN COc1cc(Br)ccc1Oc1ncc([N+](=O)[O-])cc1Br ZINC000383580950 855438533 /nfs/dbraw/zinc/43/85/33/855438533.db2.gz OVENRAZHDOFDFV-UHFFFAOYSA-N 0 0 404.014 4.316 20 5 HIBDRN C[C@H](C(=O)Nc1ccc2nccnc2c1Br)c1cccc([N+](=O)[O-])c1 ZINC000392975381 855466848 /nfs/dbraw/zinc/46/68/48/855466848.db2.gz CLKVRBKBZRQEPU-JTQLQIEISA-N 0 0 401.220 4.043 20 5 HIBDRN CC(C)Oc1cccc(CN(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000409451247 855484283 /nfs/dbraw/zinc/48/42/83/855484283.db2.gz DYCIEJBRISFSLF-UHFFFAOYSA-N 0 0 413.293 4.478 20 5 HIBDRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000409544306 855534601 /nfs/dbraw/zinc/53/46/01/855534601.db2.gz JVPXAJWBMBFSRB-AMIZOPFISA-N 0 0 417.256 4.064 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000409544309 855534943 /nfs/dbraw/zinc/53/49/43/855534943.db2.gz JVPXAJWBMBFSRB-SDBXPKJASA-N 0 0 417.256 4.064 20 5 HIBDRN COC(=O)Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 ZINC000409557377 855540167 /nfs/dbraw/zinc/54/01/67/855540167.db2.gz YSBQFBQKQNJKER-UHFFFAOYSA-N 0 0 420.421 4.142 20 5 HIBDRN O=C(NCc1ccc(-c2cccnc2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000437381935 862691921 /nfs/dbraw/zinc/69/19/21/862691921.db2.gz GQWVNEBNWHDUDF-UHFFFAOYSA-N 0 0 416.481 4.190 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000409586339 855553677 /nfs/dbraw/zinc/55/36/77/855553677.db2.gz QQAKZQDKGUEHLY-KRWDZBQOSA-N 0 0 420.263 4.271 20 5 HIBDRN CCC[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000409590087 855555652 /nfs/dbraw/zinc/55/56/52/855555652.db2.gz BYBRXFGVNREGAB-MRXNPFEDSA-N 0 0 417.535 4.353 20 5 HIBDRN COc1ccc(CN(CC2CC2)C(=O)NCc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000409602787 855560487 /nfs/dbraw/zinc/56/04/87/855560487.db2.gz WGRMOXOOCRSRJT-UHFFFAOYSA-N 0 0 413.474 4.042 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000409666852 855592435 /nfs/dbraw/zinc/59/24/35/855592435.db2.gz CXRKUOPJDIDSIE-GFCCVEGCSA-N 0 0 409.471 4.179 20 5 HIBDRN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000409751042 855634787 /nfs/dbraw/zinc/63/47/87/855634787.db2.gz PAROYOGITANRFV-UHFFFAOYSA-N 0 0 422.485 4.110 20 5 HIBDRN O=C(NCCOc1ccc(C(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000409755741 855637456 /nfs/dbraw/zinc/63/74/56/855637456.db2.gz RXQHEBBZVXUTDH-UHFFFAOYSA-N 0 0 403.744 4.468 20 5 HIBDRN 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ZINC000437390404 862717436 /nfs/dbraw/zinc/71/74/36/862717436.db2.gz KRZCBTQPWVBJOO-HAQNSBGRSA-N 0 0 412.339 4.351 20 5 HIBDRN O=C(CCn1ccnc1-c1cccc(Br)c1)Nc1ccccc1[N+](=O)[O-] ZINC000410049409 855799800 /nfs/dbraw/zinc/79/98/00/855799800.db2.gz XMIQYDCCSZQCRQ-UHFFFAOYSA-N 0 0 415.247 4.250 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)NCC[C@@H](O)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000410058357 855804127 /nfs/dbraw/zinc/80/41/27/855804127.db2.gz JTIQLNHPYWVBTR-MRXNPFEDSA-N 0 0 414.405 4.098 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)NCC[C@H](O)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000410058354 855804199 /nfs/dbraw/zinc/80/41/99/855804199.db2.gz JTIQLNHPYWVBTR-INIZCTEOSA-N 0 0 414.405 4.098 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3C[C@@H](C)OC[C@@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000437393320 862723745 /nfs/dbraw/zinc/72/37/45/862723745.db2.gz QPBCRMHINKKFMB-WZONZLPQSA-N 0 0 423.513 4.433 20 5 HIBDRN COc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000410149728 855839777 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CCOc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000410418544 855988466 /nfs/dbraw/zinc/98/84/66/855988466.db2.gz KSWFNEIRTKFALS-UHFFFAOYSA-N 0 0 402.300 4.326 20 5 HIBDRN O=C(NCc1nc2c(s1)CCCC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000425920134 855999341 /nfs/dbraw/zinc/99/93/41/855999341.db2.gz JTYISRAZAHGBGT-UHFFFAOYSA-N 0 0 423.494 4.439 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(c2ccc(O)cc2)CC1 ZINC000425954893 856016395 /nfs/dbraw/zinc/01/63/95/856016395.db2.gz XLMHJWZTXDVAJI-UHFFFAOYSA-N 0 0 405.248 4.083 20 5 HIBDRN O=C(NCc1ccccc1OCC(F)(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000425983197 856030056 /nfs/dbraw/zinc/03/00/56/856030056.db2.gz UADFMMTYLQTPNW-UHFFFAOYSA-N 0 0 423.391 4.410 20 5 HIBDRN C[C@@H]1C[C@H]1[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1 ZINC000426010386 856045103 /nfs/dbraw/zinc/04/51/03/856045103.db2.gz LQMJSPGWFGGWBK-XVSDVWIESA-N 0 0 417.897 4.189 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)C/C=C/c1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000426022201 856053070 /nfs/dbraw/zinc/05/30/70/856053070.db2.gz POFONKVUCOCTTB-XSBJJCPUSA-N 0 0 414.433 4.336 20 5 HIBDRN O=C(NCc1csc(Br)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426027666 856056125 /nfs/dbraw/zinc/05/61/25/856056125.db2.gz BSOMPPUFBPZVBN-UHFFFAOYSA-N 0 0 410.293 4.293 20 5 HIBDRN C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000426030816 856057971 /nfs/dbraw/zinc/05/79/71/856057971.db2.gz VMVUADLMPMDEPA-SECBINFHSA-N 0 0 403.307 4.452 20 5 HIBDRN Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000426059566 856079663 /nfs/dbraw/zinc/07/96/63/856079663.db2.gz PALCXINLWNAOJR-INIZCTEOSA-N 0 0 409.446 4.061 20 5 HIBDRN CSc1cc2c(cc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)OCCO2 ZINC000426069548 856084688 /nfs/dbraw/zinc/08/46/88/856084688.db2.gz KPAYTNLNBWLSPU-UHFFFAOYSA-N 0 0 415.471 4.284 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(Cl)c1 ZINC000426091694 856102767 /nfs/dbraw/zinc/10/27/67/856102767.db2.gz DLXORBSXZDHIPR-UHFFFAOYSA-N 0 0 402.838 4.403 20 5 HIBDRN CC(=O)Nc1ccc(Cl)c(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000437405054 862758176 /nfs/dbraw/zinc/75/81/76/862758176.db2.gz KWVAOOLVZMUCLC-UHFFFAOYSA-N 0 0 402.838 4.403 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000426118445 856119761 /nfs/dbraw/zinc/11/97/61/856119761.db2.gz YLRHOKHLSZZZSG-UHFFFAOYSA-N 0 0 401.810 4.059 20 5 HIBDRN CC(C)c1nn(C)cc1-c1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000426208163 856177330 /nfs/dbraw/zinc/17/73/30/856177330.db2.gz ZJZNIEWGZBCQMQ-UHFFFAOYSA-N 0 0 424.383 4.175 20 5 HIBDRN CC(C)(C)[C@@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000426239149 856196781 /nfs/dbraw/zinc/19/67/81/856196781.db2.gz QYARVKOJEXPTKN-HIFRSBDPSA-N 0 0 403.401 4.007 20 5 HIBDRN O=C(NCc1cccc(OCC(F)(F)F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426242900 856198020 /nfs/dbraw/zinc/19/80/20/856198020.db2.gz AVYVEOZFCHYRAZ-UHFFFAOYSA-N 0 0 423.391 4.410 20 5 HIBDRN O=C(Nc1cccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1)C1CCC1 ZINC000426250436 856202672 /nfs/dbraw/zinc/20/26/72/856202672.db2.gz INUXEZKPIVXEEM-UHFFFAOYSA-N 0 0 422.485 4.208 20 5 HIBDRN C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000426255780 856204994 /nfs/dbraw/zinc/20/49/94/856204994.db2.gz ZNJJLQARBNLDDY-ZETCQYMHSA-N 0 0 408.789 4.284 20 5 HIBDRN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426262843 856209400 /nfs/dbraw/zinc/20/94/00/856209400.db2.gz HFNLIBYXZAPQRB-KZULUSFZSA-N 0 0 423.391 4.147 20 5 HIBDRN COCCCOc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000426265622 856210105 /nfs/dbraw/zinc/21/01/05/856210105.db2.gz VKUGJALUAQNVGK-UHFFFAOYSA-N 0 0 413.455 4.386 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000426268390 856212546 /nfs/dbraw/zinc/21/25/46/856212546.db2.gz SGBIRUQMAJPKDM-OAHLLOKOSA-N 0 0 407.392 4.388 20 5 HIBDRN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426280130 856217087 /nfs/dbraw/zinc/21/70/87/856217087.db2.gz SJQCZGZQIDQKRD-GFCCVEGCSA-N 0 0 411.380 4.092 20 5 HIBDRN CCOc1ccccc1CN(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426280598 856217573 /nfs/dbraw/zinc/21/75/73/856217573.db2.gz MPROGENZXFONIW-UHFFFAOYSA-N 0 0 411.380 4.354 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000426292480 856226484 /nfs/dbraw/zinc/22/64/84/856226484.db2.gz VIXKPRQEYMTGBQ-VIFPVBQESA-N 0 0 414.220 4.165 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CCC(C)(C)O3)cc2[N+](=O)[O-])n1 ZINC000426314290 856240234 /nfs/dbraw/zinc/24/02/34/856240234.db2.gz PDCIQMWCOSNYBQ-ZDUSSCGKSA-N 0 0 407.517 4.198 20 5 HIBDRN O=C(NC1(C(=O)Nc2ccccc2)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000426351978 856256254 /nfs/dbraw/zinc/25/62/54/856256254.db2.gz KPPBHRYOVYHFDS-UHFFFAOYSA-N 0 0 416.437 4.240 20 5 HIBDRN COc1cc(CN(C)Cc2ccc(Br)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000426386527 856269678 /nfs/dbraw/zinc/26/96/78/856269678.db2.gz XJOKDSJNLZWVCJ-UHFFFAOYSA-N 0 0 413.243 4.146 20 5 HIBDRN CC(C)(c1nc(-c2cccc(CN3CCCC3=O)c2)no1)c1ccccc1[N+](=O)[O-] ZINC000426431593 856287821 /nfs/dbraw/zinc/28/78/21/856287821.db2.gz UMAUSYBIGHRQFK-UHFFFAOYSA-N 0 0 406.442 4.093 20 5 HIBDRN C[C@H](c1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@@H]1OCCc2sccc21 ZINC000426435745 856288721 /nfs/dbraw/zinc/28/87/21/856288721.db2.gz DTNYWMOMTQAFSZ-SGTLLEGYSA-N 0 0 400.460 4.111 20 5 HIBDRN CC[C@@]1(CO)CCCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000426462697 856303624 /nfs/dbraw/zinc/30/36/24/856303624.db2.gz RVMULIXCQXUCFP-FYYLOGMGSA-N 0 0 411.502 4.068 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426471549 856310100 /nfs/dbraw/zinc/31/01/00/856310100.db2.gz WEWLFZIICXERDT-GOSISDBHSA-N 0 0 412.465 4.077 20 5 HIBDRN Cc1nsc(C)c1-c1noc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 ZINC000426612090 856373443 /nfs/dbraw/zinc/37/34/43/856373443.db2.gz WLDRFDBXELAONG-UHFFFAOYSA-N 0 0 410.459 4.247 20 5 HIBDRN C[C@H](CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)[O-] ZINC000426629954 856383191 /nfs/dbraw/zinc/38/31/91/856383191.db2.gz SKVOIDGDFWBKQO-LLVKDONJSA-N 0 0 411.252 4.208 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426661014 856399322 /nfs/dbraw/zinc/39/93/22/856399322.db2.gz RUSVLVLMSKSDAT-HXUWFJFHSA-N 0 0 405.410 4.122 20 5 HIBDRN Cc1nc(CCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc1C(=O)[O-] ZINC000426678622 856408102 /nfs/dbraw/zinc/40/81/02/856408102.db2.gz DDNORKAORZVJJE-UHFFFAOYSA-N 0 0 401.444 4.040 20 5 HIBDRN O=C([O-])COc1ccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000426704601 856422254 /nfs/dbraw/zinc/42/22/54/856422254.db2.gz LMUDRSYMCUVWNR-UHFFFAOYSA-N 0 0 412.467 4.119 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000426706501 856423265 /nfs/dbraw/zinc/42/32/65/856423265.db2.gz UFYMGLSQUJRPMA-RHSMWYFYSA-N 0 0 403.866 4.119 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000426706502 856423446 /nfs/dbraw/zinc/42/34/46/856423446.db2.gz UFYMGLSQUJRPMA-WMLDXEAASA-N 0 0 403.866 4.119 20 5 HIBDRN CSCC[C@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000426708755 856425174 /nfs/dbraw/zinc/42/51/74/856425174.db2.gz MQBUBNAXMWRVFH-HNNXBMFYSA-N 0 0 410.879 4.336 20 5 HIBDRN Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000426730714 856439274 /nfs/dbraw/zinc/43/92/74/856439274.db2.gz LZQBTHGMAGIBLZ-GOSISDBHSA-N 0 0 421.375 4.189 20 5 HIBDRN Cc1ccc(NC(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000437425790 862801316 /nfs/dbraw/zinc/80/13/16/862801316.db2.gz ZBLUWVITPCLUMM-KKSFZXQISA-N 0 0 413.474 4.350 20 5 HIBDRN COc1ccc2cc(C[NH2+][C@@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])ccc2c1 ZINC000426745787 856450119 /nfs/dbraw/zinc/45/01/19/856450119.db2.gz VZCQUJJOSXOLFN-QFIPXVFZSA-N 0 0 419.437 4.023 20 5 HIBDRN Cc1cc(Oc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000426771558 856468901 /nfs/dbraw/zinc/46/89/01/856468901.db2.gz DDLZTWMFBUGJOD-LBPRGKRZSA-N 0 0 416.821 4.478 20 5 HIBDRN CC[C@H](C)[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426779509 856474503 /nfs/dbraw/zinc/47/45/03/856474503.db2.gz IPDGBIXJGYMICM-YWZLYKJASA-N 0 0 408.458 4.036 20 5 HIBDRN CC(C)(C)[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)[O-] ZINC000426789363 856479356 /nfs/dbraw/zinc/47/93/56/856479356.db2.gz UAQXROZJQRYFQJ-HNNXBMFYSA-N 0 0 411.252 4.206 20 5 HIBDRN COc1cccc(C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)[O-])c1 ZINC000426792798 856481598 /nfs/dbraw/zinc/48/15/98/856481598.db2.gz NYDPZXAUYJOBKK-IBGZPJMESA-N 0 0 412.467 4.117 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000437428362 862802779 /nfs/dbraw/zinc/80/27/79/862802779.db2.gz RSULHIVKLNJNIZ-SJORKVTESA-N 0 0 405.401 4.061 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426814917 856494416 /nfs/dbraw/zinc/49/44/16/856494416.db2.gz IWKUXTGRDQJMKF-FQEVSTJZSA-N 0 0 423.400 4.261 20 5 HIBDRN COC(=O)c1c(C)c(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])ccc1F ZINC000426821540 856497273 /nfs/dbraw/zinc/49/72/73/856497273.db2.gz UIDYNUPWLKVMSM-UHFFFAOYSA-N 0 0 409.373 4.143 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426826502 856500733 /nfs/dbraw/zinc/50/07/33/856500733.db2.gz PCOZNZWVYZPQST-FQEVSTJZSA-N 0 0 423.400 4.261 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000426828084 856501960 /nfs/dbraw/zinc/50/19/60/856501960.db2.gz YBGNJTCXMHUNKY-LLVKDONJSA-N 0 0 410.257 4.334 20 5 HIBDRN COC1CCC(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000426845490 856510228 /nfs/dbraw/zinc/51/02/28/856510228.db2.gz MHRFGFDJSKOFST-XNYRCJLNSA-N 0 0 403.523 4.012 20 5 HIBDRN COc1cc(OCC(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000437433754 862806560 /nfs/dbraw/zinc/80/65/60/862806560.db2.gz SIZZCJYCAVOADF-CTYIDZIISA-N 0 0 424.375 4.063 20 5 HIBDRN CC[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC000426907212 856536840 /nfs/dbraw/zinc/53/68/40/856536840.db2.gz NSXCJDODBVTGSF-QGZVFWFLSA-N 0 0 418.881 4.208 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(F)cc2NC2CC2)cc1[N+](=O)[O-] ZINC000426916793 856540620 /nfs/dbraw/zinc/54/06/20/856540620.db2.gz QKCBBIQKIXXXBI-UHFFFAOYSA-N 0 0 405.451 4.189 20 5 HIBDRN COc1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)ccc1C(F)(F)F ZINC000426930953 856547872 /nfs/dbraw/zinc/54/78/72/856547872.db2.gz GSQAFHHJGQLMOH-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000426992772 856584079 /nfs/dbraw/zinc/58/40/79/856584079.db2.gz ABJJDHYDFHDKMX-ZDUSSCGKSA-N 0 0 418.906 4.317 20 5 HIBDRN COC1CCC(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000427066049 856617914 /nfs/dbraw/zinc/61/79/14/856617914.db2.gz XSYQNXBLCFFIPI-HJOIGYKYSA-N 0 0 412.490 4.098 20 5 HIBDRN CN(CCCn1ccnc1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000427095886 856633381 /nfs/dbraw/zinc/63/33/81/856633381.db2.gz YQQNAYZUQLUBIT-UHFFFAOYSA-N 0 0 414.849 4.399 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccco1 ZINC000427102943 856637868 /nfs/dbraw/zinc/63/78/68/856637868.db2.gz IIVMDRPQGFKNJO-UHFFFAOYSA-N 0 0 406.350 4.426 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccsc2)C1 ZINC000427150281 856671120 /nfs/dbraw/zinc/67/11/20/856671120.db2.gz NXKTYJAJEMAGSI-OAQYLSRUSA-N 0 0 424.478 4.449 20 5 HIBDRN C[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000427156663 856676485 /nfs/dbraw/zinc/67/64/85/856676485.db2.gz BIFJAGSLMJHALW-JTSKRJEESA-N 0 0 420.469 4.094 20 5 HIBDRN C[C@H](C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1)c1ccc([N+](=O)[O-])cc1F ZINC000427187369 856700001 /nfs/dbraw/zinc/70/00/01/856700001.db2.gz QOAYZFXDRDHOPC-LBPRGKRZSA-N 0 0 401.825 4.488 20 5 HIBDRN Cc1c[nH]c(-c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000427191409 856702128 /nfs/dbraw/zinc/70/21/28/856702128.db2.gz HIPQQWAMPKRDEF-UHFFFAOYSA-N 0 0 415.247 4.237 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@@H](OCC2CC2)C1 ZINC000427208793 856714103 /nfs/dbraw/zinc/71/41/03/856714103.db2.gz IUUAUCQZMGERHM-HXUWFJFHSA-N 0 0 410.470 4.205 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@H]2CCCc2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000427214524 856716627 /nfs/dbraw/zinc/71/66/27/856716627.db2.gz ATOMCYRUMQQBTD-LJQANCHMSA-N 0 0 419.485 4.111 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(Cc1cccc(O)c1)CC1CC1 ZINC000427245447 856734188 /nfs/dbraw/zinc/73/41/88/856734188.db2.gz ZTQNNMBZZCTUBB-UHFFFAOYSA-N 0 0 419.275 4.044 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1OCC(C)C ZINC000427247746 856734438 /nfs/dbraw/zinc/73/44/38/856734438.db2.gz BVXUJCMIEJXESS-AWEZNQCLSA-N 0 0 402.447 4.138 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)Sc3ccc(C(F)(F)F)cc32)n1 ZINC000427251002 856736807 /nfs/dbraw/zinc/73/68/07/856736807.db2.gz AVVUYDANRXRIIM-JTQLQIEISA-N 0 0 414.409 4.361 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C)c(Cc2ccccc2F)s1 ZINC000427261262 856741788 /nfs/dbraw/zinc/74/17/88/856741788.db2.gz VVBITFCWLCGSDI-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000427286620 856752527 /nfs/dbraw/zinc/75/25/27/856752527.db2.gz BBWAFRAXWNXJBW-FOLRYPLNSA-N 0 0 415.515 4.148 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000427345383 856783333 /nfs/dbraw/zinc/78/33/33/856783333.db2.gz FFFQDPPDWKCOMS-PKOBYXMFSA-N 0 0 416.524 4.093 20 5 HIBDRN CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427366826 856797301 /nfs/dbraw/zinc/79/73/01/856797301.db2.gz PJDGYFXFTOUTCF-KRWDZBQOSA-N 0 0 411.506 4.173 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)n1 ZINC000427376855 856800951 /nfs/dbraw/zinc/80/09/51/856800951.db2.gz UKKWZKKNJLQXDX-FPOVZHCZSA-N 0 0 404.470 4.402 20 5 HIBDRN CCc1c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cnn1CCC(C)C ZINC000427378360 856801991 /nfs/dbraw/zinc/80/19/91/856801991.db2.gz BTUAKGQHCJPNNO-FQEVSTJZSA-N 0 0 402.520 4.288 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000437481489 862840063 /nfs/dbraw/zinc/84/00/63/862840063.db2.gz AYAJGOGYLHECRX-AUSIDOKSSA-N 0 0 411.502 4.379 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)n1 ZINC000427472738 856836066 /nfs/dbraw/zinc/83/60/66/856836066.db2.gz HLVSOQZEEJUFKJ-JTQLQIEISA-N 0 0 419.894 4.388 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(-c2ccccc2)c(C)c1 ZINC000427514330 856846277 /nfs/dbraw/zinc/84/62/77/856846277.db2.gz NNFGKOKRNMCSGT-UHFFFAOYSA-N 0 0 403.438 4.134 20 5 HIBDRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)o1 ZINC000437484385 862843717 /nfs/dbraw/zinc/84/37/17/862843717.db2.gz JFIQYNSTFUZCGN-FZKQIMNGSA-N 0 0 400.431 4.150 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000427568661 856870856 /nfs/dbraw/zinc/87/08/56/856870856.db2.gz IRQNELPQOKVQLJ-UHFFFAOYSA-N 0 0 419.677 4.396 20 5 HIBDRN O=C(c1nn(-c2ccccc2F)c2c1CCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427590663 856880331 /nfs/dbraw/zinc/88/03/31/856880331.db2.gz CMDHMOZIQNATFY-UHFFFAOYSA-N 0 0 420.444 4.213 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)n1 ZINC000427601640 856884216 /nfs/dbraw/zinc/88/42/16/856884216.db2.gz MCZMQBDJULFPQB-UHFFFAOYSA-N 0 0 410.396 4.072 20 5 HIBDRN CC(=O)N[C@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000427604599 856884973 /nfs/dbraw/zinc/88/49/73/856884973.db2.gz PQSWZDCTZNBMLW-HXUWFJFHSA-N 0 0 415.877 4.007 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000427615557 856888347 /nfs/dbraw/zinc/88/83/47/856888347.db2.gz OPFWBOZOYLGTOR-MRXNPFEDSA-N 0 0 405.248 4.343 20 5 HIBDRN O=C(Cn1c2ccccc2nc1C(F)(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437490106 862847605 /nfs/dbraw/zinc/84/76/05/862847605.db2.gz BPMUCPVIFDZMST-UHFFFAOYSA-N 0 0 418.375 4.155 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H](C)Cc2cccc(O)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000427648265 856896927 /nfs/dbraw/zinc/89/69/27/856896927.db2.gz YVKVYFRUYKXSRC-JKSUJKDBSA-N 0 0 420.469 4.230 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CC[C@@H](C)C(F)(F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000427651469 856897934 /nfs/dbraw/zinc/89/79/34/856897934.db2.gz QEPFDRAWOOJOMB-KGLIPLIRSA-N 0 0 404.417 4.280 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc1SC ZINC000437492100 862849601 /nfs/dbraw/zinc/84/96/01/862849601.db2.gz BSAIGTUOORELPA-YEORSEQZSA-N 0 0 408.426 4.280 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)n1 ZINC000427712943 856919185 /nfs/dbraw/zinc/91/91/85/856919185.db2.gz OIQLDAFWGNZQEG-UGKGYDQZSA-N 0 0 420.469 4.191 20 5 HIBDRN CN(Cc1ccc(Br)c(F)c1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000427789933 856955411 /nfs/dbraw/zinc/95/54/11/856955411.db2.gz POGOOSWASNTUME-UHFFFAOYSA-N 0 0 406.211 4.250 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000427806711 856963666 /nfs/dbraw/zinc/96/36/66/856963666.db2.gz ICCVZEPDYNZQKF-UHFFFAOYSA-N 0 0 418.368 4.106 20 5 HIBDRN O=C(NCCCCO)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000427829522 856973147 /nfs/dbraw/zinc/97/31/47/856973147.db2.gz RMPWDFQAVIHYKB-UHFFFAOYSA-N 0 0 414.405 4.267 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc1[N+](=O)[O-] ZINC000437508740 862859170 /nfs/dbraw/zinc/85/91/70/862859170.db2.gz QXHVFGILJBQUQQ-CZIWCDLHSA-N 0 0 422.453 4.177 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCS[C@H](C)CC3)cc2[N+](=O)[O-])n1 ZINC000427916281 857005468 /nfs/dbraw/zinc/00/54/68/857005468.db2.gz MJTURTSWZIRGPF-GFCCVEGCSA-N 0 0 409.558 4.479 20 5 HIBDRN CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000427922059 857008545 /nfs/dbraw/zinc/00/85/45/857008545.db2.gz AGGFWCYWHIZCPO-KRWDZBQOSA-N 0 0 411.483 4.132 20 5 HIBDRN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(OC(F)F)cc1 ZINC000427921953 857008797 /nfs/dbraw/zinc/00/87/97/857008797.db2.gz JPJZIWGAFBELOL-LBPRGKRZSA-N 0 0 417.368 4.001 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(CC(F)(F)F)C3CCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000427939383 857015211 /nfs/dbraw/zinc/01/52/11/857015211.db2.gz UPAQVPZUWHSROL-UHFFFAOYSA-N 0 0 410.396 4.013 20 5 HIBDRN CCOc1ccc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCOC)cc1[N+](=O)[O-] ZINC000427967765 857026113 /nfs/dbraw/zinc/02/61/13/857026113.db2.gz UZAYBORRCBSQGA-OAHLLOKOSA-N 0 0 413.474 4.092 20 5 HIBDRN CCNC(=O)Nc1ccc(C)c(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1 ZINC000427988676 857034501 /nfs/dbraw/zinc/03/45/01/857034501.db2.gz PPMJLQRWSIBOBM-UHFFFAOYSA-N 0 0 414.465 4.383 20 5 HIBDRN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1nc(C(C)(C)C)cs1 ZINC000428034004 857050503 /nfs/dbraw/zinc/05/05/03/857050503.db2.gz CFMACHGZDIADGV-GFCCVEGCSA-N 0 0 414.487 4.153 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](OCC4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000428113057 857076270 /nfs/dbraw/zinc/07/62/70/857076270.db2.gz QWTXFQMSSIPRKG-MBOZVWFJSA-N 0 0 415.534 4.108 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CC[C@](O)(C2CC2)C1 ZINC000428185789 857103274 /nfs/dbraw/zinc/10/32/74/857103274.db2.gz UDSXWACTWFKWJY-HXUWFJFHSA-N 0 0 418.902 4.386 20 5 HIBDRN CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000428499347 857228296 /nfs/dbraw/zinc/22/82/96/857228296.db2.gz YYOYDSLVUXVOBT-HNNXBMFYSA-N 0 0 408.442 4.118 20 5 HIBDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000428507294 857232269 /nfs/dbraw/zinc/23/22/69/857232269.db2.gz ADGOUKQAMZSJHP-MRXNPFEDSA-N 0 0 420.453 4.262 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccnn1C1CCCC1 ZINC000428510765 857233498 /nfs/dbraw/zinc/23/34/98/857233498.db2.gz RBIWYXRGHUNSEY-UHFFFAOYSA-N 0 0 404.426 4.390 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC[C@@H]1CCO ZINC000428583534 857272199 /nfs/dbraw/zinc/27/21/99/857272199.db2.gz AHTIOYJKYHMRMA-OAHLLOKOSA-N 0 0 406.891 4.386 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000428606112 857277271 /nfs/dbraw/zinc/27/72/71/857277271.db2.gz WKPDCTRTNGZLNQ-GFCCVEGCSA-N 0 0 415.833 4.397 20 5 HIBDRN CN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000428615640 857279464 /nfs/dbraw/zinc/27/94/64/857279464.db2.gz YQIODNZHLQZWKX-UYAOXDASSA-N 0 0 417.893 4.236 20 5 HIBDRN CS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1Cl ZINC000428663498 857292069 /nfs/dbraw/zinc/29/20/69/857292069.db2.gz JGVUVIIXHGBDSQ-UHFFFAOYSA-N 0 0 408.785 4.283 20 5 HIBDRN Cc1c(Br)c(N2CCC(c3ncccc3Cl)CC2)ncc1[N+](=O)[O-] ZINC000428663156 857292197 /nfs/dbraw/zinc/29/21/97/857292197.db2.gz GGJGGKYLPVUXLC-UHFFFAOYSA-N 0 0 411.687 4.493 20 5 HIBDRN Cc1noc(C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c2ccccc2)n1 ZINC000428676540 857294858 /nfs/dbraw/zinc/29/48/58/857294858.db2.gz PIXDPTSDUOCQCN-GOSISDBHSA-N 0 0 401.426 4.744 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000428693617 857299522 /nfs/dbraw/zinc/29/95/22/857299522.db2.gz QMXZVTOEGHJVJS-UHFFFAOYSA-N 0 0 412.215 4.169 20 5 HIBDRN CCOC1(C)CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000428722747 857309938 /nfs/dbraw/zinc/30/99/38/857309938.db2.gz YBAKEFKDDNJKIC-NRFANRHFSA-N 0 0 411.502 4.474 20 5 HIBDRN COC(=O)C12CCC(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)(CC1)C2 ZINC000428728382 857312060 /nfs/dbraw/zinc/31/20/60/857312060.db2.gz FJKWFYFOUYZMMY-UHFFFAOYSA-N 0 0 410.426 4.449 20 5 HIBDRN O=C(N[C@H]1CCC[C@H]1CCO)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000428800011 857348857 /nfs/dbraw/zinc/34/88/57/857348857.db2.gz BSOAMKQRMHGKHN-KSSFIOAISA-N 0 0 417.893 4.141 20 5 HIBDRN COC[C@@H](C)Nc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437589203 862902738 /nfs/dbraw/zinc/90/27/38/862902738.db2.gz JVACYTUTSDJLGS-OLZOCXBDSA-N 0 0 407.854 4.101 20 5 HIBDRN COC(=O)CSCc1cccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000429059292 857484107 /nfs/dbraw/zinc/48/41/07/857484107.db2.gz LVEWFRHHOLRBIV-CQSZACIVSA-N 0 0 417.487 4.192 20 5 HIBDRN CSc1cc2c(cc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OCCO2 ZINC000429084428 857501467 /nfs/dbraw/zinc/50/14/67/857501467.db2.gz NQLNXLLNHCQNGF-LBPRGKRZSA-N 0 0 403.460 4.279 20 5 HIBDRN COC[C@H](C)Nc1ccccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000437603785 862919103 /nfs/dbraw/zinc/91/91/03/862919103.db2.gz LJNGOAWQYONISK-HNNXBMFYSA-N 0 0 401.466 4.380 20 5 HIBDRN Cc1cc(NC(=O)CNC(C)(C)c2ccccc2[N+](=O)[O-])ccc1Br ZINC000429241153 857570556 /nfs/dbraw/zinc/57/05/56/857570556.db2.gz ZPHGMLBICNTHOB-UHFFFAOYSA-N 0 0 406.280 4.129 20 5 HIBDRN C[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)cc([N+](=O)[O-])c2)C1 ZINC000429255133 857577933 /nfs/dbraw/zinc/57/79/33/857577933.db2.gz MCSOBIFKJKNCER-RGCFKVTRSA-N 0 0 401.507 4.116 20 5 HIBDRN COc1cc(Br)ccc1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000429330763 857606209 /nfs/dbraw/zinc/60/62/09/857606209.db2.gz CWSNPBPKUIGMAB-UHFFFAOYSA-N 0 0 408.252 4.304 20 5 HIBDRN COC[C@H](C)Nc1ccccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437620181 862937499 /nfs/dbraw/zinc/93/74/99/862937499.db2.gz LKOIUSYMCGYDQO-LBPRGKRZSA-N 0 0 409.895 4.426 20 5 HIBDRN COC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)sc1C1CC1 ZINC000429490431 857693667 /nfs/dbraw/zinc/69/36/67/857693667.db2.gz JTYGOZUGCVIPEE-UHFFFAOYSA-N 0 0 421.500 4.468 20 5 HIBDRN Cc1noc(C[C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2)n1 ZINC000429527688 857720591 /nfs/dbraw/zinc/72/05/91/857720591.db2.gz KKQDQIMPLCJOJY-IBGZPJMESA-N 0 0 405.414 4.015 20 5 HIBDRN CC(C)n1nccc1C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 ZINC000429532178 857724849 /nfs/dbraw/zinc/72/48/49/857724849.db2.gz XJHPFCNGQFXJOK-UHFFFAOYSA-N 0 0 406.402 4.070 20 5 HIBDRN CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000429542169 857733744 /nfs/dbraw/zinc/73/37/44/857733744.db2.gz QRGDXEIHATVKRM-HNNXBMFYSA-N 0 0 411.380 4.419 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CNc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000429796212 857888810 /nfs/dbraw/zinc/88/88/10/857888810.db2.gz NUTALICUZQBLJO-UHFFFAOYSA-N 0 0 403.866 4.495 20 5 HIBDRN CC(C)COc1ccccc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429844809 857908309 /nfs/dbraw/zinc/90/83/09/857908309.db2.gz YVAWRDPTUKTBMF-UHFFFAOYSA-N 0 0 407.264 4.322 20 5 HIBDRN CC(C)(C(=O)NCCc1ccc(F)c(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000429908768 857940848 /nfs/dbraw/zinc/94/08/48/857940848.db2.gz JXFLTWVBOCJWDF-UHFFFAOYSA-N 0 0 409.255 4.133 20 5 HIBDRN COc1ccc2cc(CNC(=O)c3ccc(Br)cc3[N+](=O)[O-])ccc2c1 ZINC000429958829 857969501 /nfs/dbraw/zinc/96/95/01/857969501.db2.gz BCWIUWGIZBLCLA-UHFFFAOYSA-N 0 0 415.243 4.449 20 5 HIBDRN Cc1nc(-c2ccc(CCNC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cc2)cs1 ZINC000430137870 858049061 /nfs/dbraw/zinc/04/90/61/858049061.db2.gz MFPXQPGGQDDREF-UHFFFAOYSA-N 0 0 411.483 4.073 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(OC(F)F)c3ncccc23)ccc1[N+](=O)[O-] ZINC000430404985 858147256 /nfs/dbraw/zinc/14/72/56/858147256.db2.gz QXBVZBYDWGTGLF-UHFFFAOYSA-N 0 0 403.341 4.070 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000430411338 858149442 /nfs/dbraw/zinc/14/94/42/858149442.db2.gz DZQGXNDDEBTCIQ-MRXNPFEDSA-N 0 0 420.849 4.132 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430441717 858165960 /nfs/dbraw/zinc/16/59/60/858165960.db2.gz XPVVLDNLYRNOFD-QGZVFWFLSA-N 0 0 422.403 4.478 20 5 HIBDRN C[C@H]1CC[C@H](N(C)C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000430472382 858184817 /nfs/dbraw/zinc/18/48/17/858184817.db2.gz MESSZFUQWUEBCU-RDJZCZTQSA-N 0 0 409.486 4.152 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCSc2ccc(Cl)cc21 ZINC000430483280 858191398 /nfs/dbraw/zinc/19/13/98/858191398.db2.gz KPWFMNZHBNIWMA-UHFFFAOYSA-N 0 0 420.874 4.091 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000430494674 858198977 /nfs/dbraw/zinc/19/89/77/858198977.db2.gz VVBNZPNLKAOJKB-LLVKDONJSA-N 0 0 416.821 4.188 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cc(Cl)ccc2N2CCSCC2)ccc1[N+](=O)[O-] ZINC000430543883 858213845 /nfs/dbraw/zinc/21/38/45/858213845.db2.gz YZUNAFAYCNVNRT-UHFFFAOYSA-N 0 0 421.906 4.127 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCSC[C@H]1c1ccccc1 ZINC000430601297 858233696 /nfs/dbraw/zinc/23/36/96/858233696.db2.gz JIAMPYMWUVESOU-INIZCTEOSA-N 0 0 407.289 4.288 20 5 HIBDRN O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430642314 858244975 /nfs/dbraw/zinc/24/49/75/858244975.db2.gz OGJCALAXQJCNJM-BXKDBHETSA-N 0 0 409.202 4.456 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)cc1OC ZINC000430663183 858256965 /nfs/dbraw/zinc/25/69/65/858256965.db2.gz FQMGEAYEOPJUJR-ODXCJYRJSA-N 0 0 402.422 4.195 20 5 HIBDRN Cc1cc(OCC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000430782318 858303050 /nfs/dbraw/zinc/30/30/50/858303050.db2.gz XEUIOWBKBNMNFN-OAQYLSRUSA-N 0 0 411.845 4.236 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H](c2cccc(Br)c2)N(C)C1=O ZINC000430858058 858337621 /nfs/dbraw/zinc/33/76/21/858337621.db2.gz OIHRKHDZBMQCHA-BDJLRTHQSA-N 0 0 418.247 4.054 20 5 HIBDRN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000430882568 858352555 /nfs/dbraw/zinc/35/25/55/858352555.db2.gz MAXQPHONUOSMKV-UHFFFAOYSA-N 0 0 424.284 4.276 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430937091 858375785 /nfs/dbraw/zinc/37/57/85/858375785.db2.gz ZBGKRDFMUZPVNF-LAUBAEHRSA-N 0 0 422.485 4.430 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1C(=O)NC(C)C ZINC000430953990 858381419 /nfs/dbraw/zinc/38/14/19/858381419.db2.gz VKKKZQSUIVWRFB-UHFFFAOYSA-N 0 0 420.263 4.056 20 5 HIBDRN COc1ccc(CN2C(=O)[C@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)cc1[N+](=O)[O-] ZINC000430995744 858397680 /nfs/dbraw/zinc/39/76/80/858397680.db2.gz IEVKTNIKQIDAAZ-INIZCTEOSA-N 0 0 424.240 4.046 20 5 HIBDRN Cc1c(NC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] ZINC000431085675 858440394 /nfs/dbraw/zinc/44/03/94/858440394.db2.gz RCWRWBSMUWZQBV-LLVKDONJSA-N 0 0 401.810 4.489 20 5 HIBDRN CC(C)(NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000431096238 858445499 /nfs/dbraw/zinc/44/54/99/858445499.db2.gz YEXAXHJFEBGWHY-UHFFFAOYSA-N 0 0 408.414 4.497 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000431172495 858486128 /nfs/dbraw/zinc/48/61/28/858486128.db2.gz JZJCZXOJUKZAKG-UHFFFAOYSA-N 0 0 421.251 4.140 20 5 HIBDRN Cc1c(NC(=O)c2cncc(Br)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431176521 858487768 /nfs/dbraw/zinc/48/77/68/858487768.db2.gz CSGPANCMAZXYHC-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN Cc1c(NC(=O)C(=O)c2ccc(Cl)s2)cc(Br)cc1[N+](=O)[O-] ZINC000431176207 858487919 /nfs/dbraw/zinc/48/79/19/858487919.db2.gz SMCVCGDLAAONSR-UHFFFAOYSA-N 0 0 403.641 4.202 20 5 HIBDRN COc1ccc(F)c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1OC ZINC000431175427 858487926 /nfs/dbraw/zinc/48/79/26/858487926.db2.gz ODFCJZNHFDMDOC-UHFFFAOYSA-N 0 0 413.199 4.074 20 5 HIBDRN CCC(=O)Nc1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431180389 858490325 /nfs/dbraw/zinc/49/03/25/858490325.db2.gz JLVUWVHZQDMKOD-UHFFFAOYSA-N 0 0 406.236 4.267 20 5 HIBDRN COc1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc2ccccc21 ZINC000431181268 858491157 /nfs/dbraw/zinc/49/11/57/858491157.db2.gz RKMYQBYXPANIIM-UHFFFAOYSA-N 0 0 416.231 4.475 20 5 HIBDRN COCCCOc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000431182519 858492097 /nfs/dbraw/zinc/49/20/97/858492097.db2.gz NHWLVABHVDGWDH-UHFFFAOYSA-N 0 0 423.263 4.333 20 5 HIBDRN CCOC(=O)Cn1ccc2cc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000431207790 858503530 /nfs/dbraw/zinc/50/35/30/858503530.db2.gz PGYFNHGAGHULLQ-UHFFFAOYSA-N 0 0 424.457 4.169 20 5 HIBDRN Cc1ccccc1Cc1noc(COc2c(Br)cccc2[N+](=O)[O-])n1 ZINC000431228313 858517918 /nfs/dbraw/zinc/51/79/18/858517918.db2.gz GTPLIGIEIANPIB-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN CC1(C)Cc2ccc(Cl)c(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)c2O1 ZINC000431231645 858520316 /nfs/dbraw/zinc/52/03/16/858520316.db2.gz VNLLKXKUPXZHNF-UHFFFAOYSA-N 0 0 412.833 4.400 20 5 HIBDRN Cc1c(NC(=O)c2ccnc(N3CC[C@@H](C)C3)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431233906 858521174 /nfs/dbraw/zinc/52/11/74/858521174.db2.gz GFSAOCGCPSTVNR-LLVKDONJSA-N 0 0 419.279 4.159 20 5 HIBDRN Cc1ccccc1Cc1nc(COc2c(Br)cccc2[N+](=O)[O-])no1 ZINC000431242902 858525621 /nfs/dbraw/zinc/52/56/21/858525621.db2.gz ARBZHXDPAQPXSA-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN Cc1noc(-c2ccccc2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000431243492 858526694 /nfs/dbraw/zinc/52/66/94/858526694.db2.gz DIJOTWASBDFKTN-UHFFFAOYSA-N 0 0 417.219 4.276 20 5 HIBDRN Cc1c(NC(=O)[C@@H](c2ccccc2)n2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000431256358 858534727 /nfs/dbraw/zinc/53/47/27/858534727.db2.gz QBURIEKGVABMQO-QGZVFWFLSA-N 0 0 415.247 4.090 20 5 HIBDRN CCc1nc2ccccc2n1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431259905 858536418 /nfs/dbraw/zinc/53/64/18/858536418.db2.gz REBWVRYZWGSRDF-UHFFFAOYSA-N 0 0 417.263 4.217 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000431347406 858574111 /nfs/dbraw/zinc/57/41/11/858574111.db2.gz GIBUMTPXZGZJLB-UHFFFAOYSA-N 0 0 406.486 4.354 20 5 HIBDRN O=C(Nc1cc(F)ccc1OC(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431492586 858642441 /nfs/dbraw/zinc/64/24/41/858642441.db2.gz DXEAVZJNGDMYLI-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN O=C(Nc1ccc(F)cc1OC(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431510302 858649935 /nfs/dbraw/zinc/64/99/35/858649935.db2.gz YLWCYSHFAJDBEU-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000437723167 863053702 /nfs/dbraw/zinc/05/37/02/863053702.db2.gz QYPRYTJCBKZDNY-BEFAXECRSA-N 0 0 424.906 4.003 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431635802 858704075 /nfs/dbraw/zinc/70/40/75/858704075.db2.gz SHOZBPNPYAGWPK-UHFFFAOYSA-N 0 0 420.263 4.092 20 5 HIBDRN CC(C)(NC(=O)NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000431668952 858726828 /nfs/dbraw/zinc/72/68/28/858726828.db2.gz CQEIBCIIKYVMPM-UHFFFAOYSA-N 0 0 415.837 4.033 20 5 HIBDRN CC(C)(NC(=O)NCc1nc(-c2cccc(Cl)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000431668948 858726978 /nfs/dbraw/zinc/72/69/78/858726978.db2.gz CPTFRSXFTCBKIA-UHFFFAOYSA-N 0 0 415.837 4.033 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(OCc2ccccc2)CC1 ZINC000431769565 858803583 /nfs/dbraw/zinc/80/35/83/858803583.db2.gz PAUJPKUNBXIKGR-UHFFFAOYSA-N 0 0 419.275 4.179 20 5 HIBDRN C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000431791576 858813451 /nfs/dbraw/zinc/81/34/51/858813451.db2.gz PFMFANRRABCTTM-AWEZNQCLSA-N 0 0 410.474 4.239 20 5 HIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000431832650 858831867 /nfs/dbraw/zinc/83/18/67/858831867.db2.gz LITOGGMQSHPJOP-UHFFFAOYSA-N 0 0 422.485 4.052 20 5 HIBDRN CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000431848832 858839123 /nfs/dbraw/zinc/83/91/23/858839123.db2.gz ZEDFXTAGFMEBJN-LJQANCHMSA-N 0 0 417.512 4.160 20 5 HIBDRN COc1ccc(S(=O)(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(Cl)c1Cl ZINC000431886691 858856099 /nfs/dbraw/zinc/85/60/99/858856099.db2.gz FVWVPLCTNBTPFF-UHFFFAOYSA-N 0 0 419.286 4.124 20 5 HIBDRN CC(C)(NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000431926939 858873761 /nfs/dbraw/zinc/87/37/61/858873761.db2.gz SXKZURRUIDYJQY-UHFFFAOYSA-N 0 0 403.287 4.256 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431945052 858882069 /nfs/dbraw/zinc/88/20/69/858882069.db2.gz ZUXDCIOXBNJANV-IRXDYDNUSA-N 0 0 405.248 4.007 20 5 HIBDRN Cc1ccc(OC2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000431954640 858886044 /nfs/dbraw/zinc/88/60/44/858886044.db2.gz ZHCJKBKXWZEHCP-UHFFFAOYSA-N 0 0 419.275 4.349 20 5 HIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432039310 858944569 /nfs/dbraw/zinc/94/45/69/858944569.db2.gz VGTSRZOIYAMPJG-LSDHHAIUSA-N 0 0 410.499 4.447 20 5 HIBDRN Cc1ccc(-c2cncc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)c2)cc1 ZINC000467544743 881365786 /nfs/dbraw/zinc/36/57/86/881365786.db2.gz XQIFQJDOBJLZQG-UHFFFAOYSA-N 0 0 400.398 4.003 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000432080319 858975012 /nfs/dbraw/zinc/97/50/12/858975012.db2.gz NZAIKJYXVCUVQX-INIZCTEOSA-N 0 0 411.380 4.139 20 5 HIBDRN O=C(c1cc2ccccc2s1)N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432142354 859013428 /nfs/dbraw/zinc/01/34/28/859013428.db2.gz YPYKXWDJPCHFLU-UHFFFAOYSA-N 0 0 418.478 4.320 20 5 HIBDRN O=[N+]([O-])c1cccc2c(N[C@H](CO)c3ccc(Br)c(F)c3)ccnc21 ZINC000432146820 859015928 /nfs/dbraw/zinc/01/59/28/859015928.db2.gz CYVPULDGXUZBBY-OAHLLOKOSA-N 0 0 406.211 4.190 20 5 HIBDRN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000432153896 859018955 /nfs/dbraw/zinc/01/89/55/859018955.db2.gz AXLLJRFLRITWSC-HNNXBMFYSA-N 0 0 412.412 4.495 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000432155474 859021038 /nfs/dbraw/zinc/02/10/38/859021038.db2.gz LDPMARURYQFHCH-OAHLLOKOSA-N 0 0 412.412 4.495 20 5 HIBDRN O=C(CCCc1ccccc1)N[C@@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432174426 859030448 /nfs/dbraw/zinc/03/04/48/859030448.db2.gz GNSXAEAKQQCHPX-LJQANCHMSA-N 0 0 418.497 4.251 20 5 HIBDRN O=C(Nc1nnc(-c2ccccc2)s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432212178 859049825 /nfs/dbraw/zinc/04/98/25/859049825.db2.gz FNTJGAUDLDOTAH-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000432218694 859053242 /nfs/dbraw/zinc/05/32/42/859053242.db2.gz XGHUQHVDUHSOQX-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c1 ZINC000432275952 859080870 /nfs/dbraw/zinc/08/08/70/859080870.db2.gz VFMVYSFNEFULEL-CQSZACIVSA-N 0 0 414.405 4.457 20 5 HIBDRN CN(Cc1ccc(F)c(Cl)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000432277906 859081615 /nfs/dbraw/zinc/08/16/15/859081615.db2.gz VHIRQSYIXKLHDY-UHFFFAOYSA-N 0 0 405.857 4.262 20 5 HIBDRN C[C@H]1CCN(C)c2ccccc2N1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432304997 859094521 /nfs/dbraw/zinc/09/45/21/859094521.db2.gz FRMKYFOIXZIBGW-LBPRGKRZSA-N 0 0 404.264 4.233 20 5 HIBDRN C[C@H](Oc1ccc([N+](=O)[O-])c(CO)c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000432316627 859100340 /nfs/dbraw/zinc/10/03/40/859100340.db2.gz YRLJQVYMMVMECL-JTQLQIEISA-N 0 0 409.320 4.296 20 5 HIBDRN O=[N+]([O-])c1cccc2c(N3CCO[C@H](c4ccc(Br)cc4)C3)ccnc21 ZINC000432317983 859101298 /nfs/dbraw/zinc/10/12/98/859101298.db2.gz NZNDSIOMNDOZQM-SFHVURJKSA-N 0 0 414.259 4.483 20 5 HIBDRN O=C(CCc1ccccc1)N1CCC(Nc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432323239 859103596 /nfs/dbraw/zinc/10/35/96/859103596.db2.gz CERVQLLWPDXLHQ-UHFFFAOYSA-N 0 0 404.470 4.179 20 5 HIBDRN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000432340296 859109998 /nfs/dbraw/zinc/10/99/98/859109998.db2.gz XZOXUVJYHDDFRU-DLBZAZTESA-N 0 0 405.454 4.235 20 5 HIBDRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000432376523 859129982 /nfs/dbraw/zinc/12/99/82/859129982.db2.gz XDALDHSMKUAOQQ-UHFFFAOYSA-N 0 0 412.833 4.066 20 5 HIBDRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000432378327 859130948 /nfs/dbraw/zinc/13/09/48/859130948.db2.gz QLTNQYLINBQQCU-UHFFFAOYSA-N 0 0 424.686 4.117 20 5 HIBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432483545 859186412 /nfs/dbraw/zinc/18/64/12/859186412.db2.gz PRXJADQVIMTYCP-AWEZNQCLSA-N 0 0 405.410 4.454 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Br)cc([N+](=O)[O-])c1 ZINC000432528547 859210532 /nfs/dbraw/zinc/21/05/32/859210532.db2.gz AKLGBIYFFLRFPD-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC2(CCCC2)c2cccc(F)c21 ZINC000432562766 859228351 /nfs/dbraw/zinc/22/83/51/859228351.db2.gz NTLJHJKMMORQGU-UHFFFAOYSA-N 0 0 407.401 4.460 20 5 HIBDRN Cc1c(C(=O)N2CC3(CCCC3)c3cccc(F)c32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000432569262 859231154 /nfs/dbraw/zinc/23/11/54/859231154.db2.gz XDZYVEALGWHJMC-UHFFFAOYSA-N 0 0 421.432 4.095 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@@H]2CCCc3ccc(F)cc32)c(C)c([N+](=O)[O-])c1 ZINC000432617828 859257728 /nfs/dbraw/zinc/25/77/28/859257728.db2.gz OXHUSGLLIFRRTO-MRXNPFEDSA-N 0 0 401.394 4.028 20 5 HIBDRN C[C@H]1CC2(CCC2)CN1C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000432626030 859259908 /nfs/dbraw/zinc/25/99/08/859259908.db2.gz FISIZEDVLLXHNG-INIZCTEOSA-N 0 0 421.497 4.297 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1cccnc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432676428 859285567 /nfs/dbraw/zinc/28/55/67/859285567.db2.gz ALTNYIVJRBDCPA-SFHVURJKSA-N 0 0 412.243 4.272 20 5 HIBDRN COc1ccc(OC(C)C)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000432680929 859289957 /nfs/dbraw/zinc/28/99/57/859289957.db2.gz YUWBVDNJMUVZGQ-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](COC)Cc1ccccc1 ZINC000432745745 859331591 /nfs/dbraw/zinc/33/15/91/859331591.db2.gz WMPUULCMQCORIV-SFHVURJKSA-N 0 0 421.291 4.077 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432856351 859391424 /nfs/dbraw/zinc/39/14/24/859391424.db2.gz ZTWVUHPKNLBLBP-HXUWFJFHSA-N 0 0 412.396 4.426 20 5 HIBDRN C[C@@H]1CN(c2ccccc2NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000432902761 859418643 /nfs/dbraw/zinc/41/86/43/859418643.db2.gz LPOYSYVEYQPVIC-IYBDPMFKSA-N 0 0 412.490 4.265 20 5 HIBDRN COc1cccc(N2CCC(Nc3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000432938972 859438828 /nfs/dbraw/zinc/43/88/28/859438828.db2.gz PBCHVBIBUPVUBX-UHFFFAOYSA-N 0 0 406.280 4.447 20 5 HIBDRN COc1ccc2c(c1)[C@H](C(=O)N(C)c1nc(-c3ccccc3[N+](=O)[O-])cs1)CC2 ZINC000432997725 859470658 /nfs/dbraw/zinc/47/06/58/859470658.db2.gz YKFYBZXPRPQYSN-OAHLLOKOSA-N 0 0 409.467 4.420 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CC[C@H](C)[S@](=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000433040633 859495523 /nfs/dbraw/zinc/49/55/23/859495523.db2.gz RLMNSBCLWOOIOR-RKOGDMNLSA-N 0 0 404.557 4.397 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CC[C@@H](C)[S@](=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000433040627 859495588 /nfs/dbraw/zinc/49/55/88/859495588.db2.gz RLMNSBCLWOOIOR-CHAGWJKLSA-N 0 0 404.557 4.397 20 5 HIBDRN O=C(NC[C@@H](O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000467634695 881432562 /nfs/dbraw/zinc/43/25/62/881432562.db2.gz BEKUWKAACWTFFF-CQSZACIVSA-N 0 0 420.796 4.052 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2n[nH]c(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000433088763 859518382 /nfs/dbraw/zinc/51/83/82/859518382.db2.gz MYUJEGKLXRSIKR-UHFFFAOYSA-N 0 0 412.475 4.165 20 5 HIBDRN CCNC(=O)N(C)c1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000433213498 859569504 /nfs/dbraw/zinc/56/95/04/859569504.db2.gz FCCXICMBUMGVRX-UHFFFAOYSA-N 0 0 413.478 4.203 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433315866 859634270 /nfs/dbraw/zinc/63/42/70/859634270.db2.gz CMWWHCXEFSAPMX-UKRRQHHQSA-N 0 0 403.866 4.073 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433315864 859634502 /nfs/dbraw/zinc/63/45/02/859634502.db2.gz CMWWHCXEFSAPMX-HIFRSBDPSA-N 0 0 403.866 4.073 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(N(C)[C@H](C)CCSC)c([N+](=O)[O-])c1 ZINC000433428744 859696823 /nfs/dbraw/zinc/69/68/23/859696823.db2.gz AJJOOPQWMVDXAJ-CQSZACIVSA-N 0 0 416.499 4.190 20 5 HIBDRN COCCN(Cc1cccnc1)c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000433433166 859699811 /nfs/dbraw/zinc/69/98/11/859699811.db2.gz KEWBBTPPONOQOC-UHFFFAOYSA-N 0 0 420.469 4.204 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N(C)CC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000433436014 859702874 /nfs/dbraw/zinc/70/28/74/859702874.db2.gz JVCRDFXPHRDCGC-UHFFFAOYSA-N 0 0 418.453 4.230 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(F)c1 ZINC000433537106 859762629 /nfs/dbraw/zinc/76/26/29/859762629.db2.gz GJVYHGGFERAEPI-HNNXBMFYSA-N 0 0 415.204 4.075 20 5 HIBDRN C[C@@H]1CCc2onc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)c2C1 ZINC000433596212 859802275 /nfs/dbraw/zinc/80/22/75/859802275.db2.gz WEGIDAVDZOCQPR-CYBMUJFWSA-N 0 0 405.410 4.191 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)COc2cc(F)cc([N+](=O)[O-])c2)c2cccs2)cc1 ZINC000433646678 859822930 /nfs/dbraw/zinc/82/29/30/859822930.db2.gz AHSDRRTYQLANCL-HXUWFJFHSA-N 0 0 400.431 4.388 20 5 HIBDRN O=C(COc1cc(F)cc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000433658445 859827625 /nfs/dbraw/zinc/82/76/25/859827625.db2.gz ZSIFHLWYUMDHBY-UHFFFAOYSA-N 0 0 415.402 4.065 20 5 HIBDRN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000433714916 859850322 /nfs/dbraw/zinc/85/03/22/859850322.db2.gz VPFNSXFEFUSICN-KRWDZBQOSA-N 0 0 406.438 4.430 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C ZINC000433759658 859880402 /nfs/dbraw/zinc/88/04/02/859880402.db2.gz PMFVTHSPEXTCLK-UHFFFAOYSA-N 0 0 411.462 4.241 20 5 HIBDRN Cc1nc(-c2ccccc2NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000433789008 859893032 /nfs/dbraw/zinc/89/30/32/859893032.db2.gz KHHVIKZOBROOGJ-UHFFFAOYSA-N 0 0 412.475 4.092 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000433959834 860002699 /nfs/dbraw/zinc/00/26/99/860002699.db2.gz BOWYGXNXBGZUAO-UHFFFAOYSA-N 0 0 420.425 4.170 20 5 HIBDRN Cc1nc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])sc1Cc1cccc(F)c1 ZINC000433986901 860018442 /nfs/dbraw/zinc/01/84/42/860018442.db2.gz YYMGAHOIJYWFQJ-UHFFFAOYSA-N 0 0 403.439 4.188 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC000434004917 860033563 /nfs/dbraw/zinc/03/35/63/860033563.db2.gz ZLUWEHYUJCGWRI-HNNXBMFYSA-N 0 0 402.454 4.314 20 5 HIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000434015617 860040851 /nfs/dbraw/zinc/04/08/51/860040851.db2.gz CPEPGATZXPXRKJ-UHFFFAOYSA-N 0 0 422.510 4.323 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2C[C@H](c3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000467700660 881496196 /nfs/dbraw/zinc/49/61/96/881496196.db2.gz MUDMTBROKPWWMZ-QAQDUYKDSA-N 0 0 400.500 4.207 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)c(F)c1 ZINC000434217747 860203109 /nfs/dbraw/zinc/20/31/09/860203109.db2.gz UEPMEDDDHIEOBU-HNNXBMFYSA-N 0 0 409.801 4.122 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434240577 860222636 /nfs/dbraw/zinc/22/26/36/860222636.db2.gz UNVWITVIKVJDRW-UHFFFAOYSA-N 0 0 408.845 4.363 20 5 HIBDRN COc1ccccc1-n1c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])nc2ccccc21 ZINC000434240086 860222867 /nfs/dbraw/zinc/22/28/67/860222867.db2.gz PMUSUEDXUDZDNG-UHFFFAOYSA-N 0 0 420.429 4.041 20 5 HIBDRN O=C(C[C@@H]1CCCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccco1 ZINC000434243538 860224619 /nfs/dbraw/zinc/22/46/19/860224619.db2.gz DXZMIMHKKLWZKF-KRWDZBQOSA-N 0 0 409.442 4.187 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cc(Br)ccc2NC2CC2)c1[N+](=O)[O-] ZINC000434244345 860225409 /nfs/dbraw/zinc/22/54/09/860225409.db2.gz HIKBHFQNGDJZEF-UHFFFAOYSA-N 0 0 408.256 4.030 20 5 HIBDRN C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000434291638 860256959 /nfs/dbraw/zinc/25/69/59/860256959.db2.gz FLSABDVYMFZOQS-OAGGEKHMSA-N 0 0 413.474 4.061 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000434341157 860301379 /nfs/dbraw/zinc/30/13/79/860301379.db2.gz KGRXMEHTMHBAEX-UHFFFAOYSA-N 0 0 402.248 4.419 20 5 HIBDRN C[C@@H](CCO)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000434403277 860335332 /nfs/dbraw/zinc/33/53/32/860335332.db2.gz KHKBHFJRENLTJG-LBPRGKRZSA-N 0 0 417.512 4.104 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000467730941 881533495 /nfs/dbraw/zinc/53/34/95/881533495.db2.gz INHYXKTYBADOPY-UHFFFAOYSA-N 0 0 416.480 4.358 20 5 HIBDRN CCCNc1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 ZINC000434555634 860398648 /nfs/dbraw/zinc/39/86/48/860398648.db2.gz WJRZJBPQWDOYGL-UHFFFAOYSA-N 0 0 411.380 4.288 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000434640582 860442245 /nfs/dbraw/zinc/44/22/45/860442245.db2.gz MOTLFZVLOZHSEE-UHFFFAOYSA-N 0 0 403.378 4.127 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000434637039 860442610 /nfs/dbraw/zinc/44/26/10/860442610.db2.gz LDPDYVXQLBKAEG-UHFFFAOYSA-N 0 0 404.271 4.415 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000467740516 881543310 /nfs/dbraw/zinc/54/33/10/881543310.db2.gz GXFRIOPFLANKOE-QXAKKESOSA-N 0 0 406.548 4.499 20 5 HIBDRN C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000434907128 860549734 /nfs/dbraw/zinc/54/97/34/860549734.db2.gz WBMJLHCBLHBEJK-CZUORRHYSA-N 0 0 418.291 4.174 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCO[C@@H](c4cccc(C(F)(F)F)c4)C3)nc2c1 ZINC000435034192 860608433 /nfs/dbraw/zinc/60/84/33/860608433.db2.gz MHSXMOGBDNKGTK-QGZVFWFLSA-N 0 0 407.348 4.328 20 5 HIBDRN CCOc1cc(NC(=O)NC2(c3nc(C)cs3)CCC2)c([N+](=O)[O-])cc1OCC ZINC000435082872 860633540 /nfs/dbraw/zinc/63/35/40/860633540.db2.gz WTTCDRDQSGKPEX-UHFFFAOYSA-N 0 0 420.491 4.358 20 5 HIBDRN COC(=O)C[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000435277462 860714127 /nfs/dbraw/zinc/71/41/27/860714127.db2.gz CCKQXYJIDVSVGA-OAHLLOKOSA-N 0 0 418.833 4.208 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000435291808 860722305 /nfs/dbraw/zinc/72/23/05/860722305.db2.gz WYLHRLGHFSCMIR-LJQANCHMSA-N 0 0 401.438 4.145 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435296757 860724893 /nfs/dbraw/zinc/72/48/93/860724893.db2.gz HNAJSRYMUUZROX-HXUWFJFHSA-N 0 0 419.485 4.107 20 5 HIBDRN Cc1c(NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc(Br)cc1[N+](=O)[O-] ZINC000435322925 860735090 /nfs/dbraw/zinc/73/50/90/860735090.db2.gz IFNVLZRXHBNUHP-SNVBAGLBSA-N 0 0 422.235 4.277 20 5 HIBDRN Cc1c(NC(=O)N2CCc3cc(F)ccc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000435324362 860735814 /nfs/dbraw/zinc/73/58/14/860735814.db2.gz VYZNGLKQLGSJQL-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN Cc1c(NC(=O)N2CCN(C)c3ccccc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000435328575 860740047 /nfs/dbraw/zinc/74/00/47/860740047.db2.gz LQFVRWUGHRWVBE-UHFFFAOYSA-N 0 0 419.279 4.150 20 5 HIBDRN Cc1c(NC(=O)N2CCc3ccc(F)cc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000435329576 860740889 /nfs/dbraw/zinc/74/08/89/860740889.db2.gz QAHKJYVLNPZFKA-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc(Br)cc1[N+](=O)[O-] ZINC000435333985 860744704 /nfs/dbraw/zinc/74/47/04/860744704.db2.gz VIUFVEIXYDHUSG-MAZHCROVSA-N 0 0 424.295 4.135 20 5 HIBDRN C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000435373316 860771362 /nfs/dbraw/zinc/77/13/62/860771362.db2.gz DMIQGSBXEWNNKS-VGSWGCGISA-N 0 0 418.497 4.132 20 5 HIBDRN Cc1ccccc1Cc1nc(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)no1 ZINC000435382635 860778706 /nfs/dbraw/zinc/77/87/06/860778706.db2.gz DWKJECBRKGNPKK-UHFFFAOYSA-N 0 0 413.455 4.177 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1cnc2ccccn2c1=O ZINC000435444819 860801392 /nfs/dbraw/zinc/80/13/92/860801392.db2.gz SWCRUPGJAFWUQB-UHFFFAOYSA-N 0 0 424.463 4.068 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000435466890 860808652 /nfs/dbraw/zinc/80/86/52/860808652.db2.gz ZXRSIBHSISJOBY-UHFFFAOYSA-N 0 0 420.252 4.156 20 5 HIBDRN CCCN(CCC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435480962 860814117 /nfs/dbraw/zinc/81/41/17/860814117.db2.gz QRPKAYPIVYDYCP-UHFFFAOYSA-N 0 0 407.517 4.395 20 5 HIBDRN CC(C)CN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C1CC1 ZINC000435491412 860819697 /nfs/dbraw/zinc/81/96/97/860819697.db2.gz TVHQRPMJBZQADV-UHFFFAOYSA-N 0 0 419.528 4.393 20 5 HIBDRN O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N(c1ccccc1)C1CCCCC1 ZINC000435506968 860827474 /nfs/dbraw/zinc/82/74/74/860827474.db2.gz JGERBTNMEYRWDS-UHFFFAOYSA-N 0 0 421.453 4.228 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)c1[N+](=O)[O-] ZINC000435569618 860889384 /nfs/dbraw/zinc/88/93/84/860889384.db2.gz SHLYFMCLZOIHSU-UHFFFAOYSA-N 0 0 417.849 4.135 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000435571085 860891179 /nfs/dbraw/zinc/89/11/79/860891179.db2.gz RABGKKASIYJYGV-XHDPSFHLSA-N 0 0 401.271 4.273 20 5 HIBDRN CS(=O)(=O)c1cccc(N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000435589497 860898455 /nfs/dbraw/zinc/89/84/55/860898455.db2.gz SJTPSXWAOZYFRJ-MQMHXKEQSA-N 0 0 414.405 4.375 20 5 HIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000435617097 860920658 /nfs/dbraw/zinc/92/06/58/860920658.db2.gz MHOZQIKIRQWAOQ-GOSISDBHSA-N 0 0 419.485 4.475 20 5 HIBDRN CC[NH+](CC)[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccccc1Cl ZINC000435649067 860932784 /nfs/dbraw/zinc/93/27/84/860932784.db2.gz XXWOEFCVFOIGNA-KRWDZBQOSA-N 0 0 405.882 4.070 20 5 HIBDRN C[C@H](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000467782393 881602280 /nfs/dbraw/zinc/60/22/80/881602280.db2.gz DEZIVPQCKPBYDS-GFCCVEGCSA-N 0 0 402.394 4.086 20 5 HIBDRN Cc1sc(CCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)nc1-c1ccccc1 ZINC000435709504 860991069 /nfs/dbraw/zinc/99/10/69/860991069.db2.gz PGJFBUGAHJZALX-UHFFFAOYSA-N 0 0 411.483 4.073 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CNc3cc(F)c(F)cc3Br)n2)c1 ZINC000435802114 861071524 /nfs/dbraw/zinc/07/15/24/861071524.db2.gz XDUNJRXYHIACTJ-UHFFFAOYSA-N 0 0 411.162 4.298 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1[N+](=O)[O-] ZINC000435822755 861086882 /nfs/dbraw/zinc/08/68/82/861086882.db2.gz ULMPLNDMGLAXAW-UHFFFAOYSA-N 0 0 409.348 4.428 20 5 HIBDRN O=C(NCCCOC1CCCCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435827720 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UBHIZLLZDYLRBN-UHFFFAOYSA-N 0 0 408.785 4.233 20 5 HIBDRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 ZINC000435899800 861156628 /nfs/dbraw/zinc/15/66/28/861156628.db2.gz ACAFHMPBBFTHEW-UHFFFAOYSA-N 0 0 424.784 4.101 20 5 HIBDRN COc1cccc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000435900493 861156708 /nfs/dbraw/zinc/15/67/08/861156708.db2.gz BLYUUMUCNDVTKX-AWEZNQCLSA-N 0 0 404.850 4.188 20 5 HIBDRN CCc1ccc(CC)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000437753611 863076138 /nfs/dbraw/zinc/07/61/38/863076138.db2.gz YKRPOLGBKFWJGS-INIZCTEOSA-N 0 0 401.488 4.024 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437914163 863291323 /nfs/dbraw/zinc/29/13/23/863291323.db2.gz IRXRMBCCMDZYTG-LBPRGKRZSA-N 0 0 420.853 4.056 20 5 HIBDRN CN(CCCOCc1ccccc1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000467816545 881645489 /nfs/dbraw/zinc/64/54/89/881645489.db2.gz GHKCAERSYNZQHD-UHFFFAOYSA-N 0 0 400.478 4.360 20 5 HIBDRN CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000437931324 863307683 /nfs/dbraw/zinc/30/76/83/863307683.db2.gz XSTBWMYJOPQGPD-HNNXBMFYSA-N 0 0 406.236 4.345 20 5 HIBDRN O=C(NCc1ccccc1OC(F)(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437934410 863310676 /nfs/dbraw/zinc/31/06/76/863310676.db2.gz PQHHDEBHGQLIAT-UHFFFAOYSA-N 0 0 409.364 4.368 20 5 HIBDRN CCCC(=O)Nc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437937547 863313838 /nfs/dbraw/zinc/31/38/38/863313838.db2.gz XEOQZGVOSHHGJP-UHFFFAOYSA-N 0 0 410.474 4.208 20 5 HIBDRN COc1cc(CN2CCC[C@H]2c2ncc[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438003926 863364029 /nfs/dbraw/zinc/36/40/29/863364029.db2.gz YEEWDBRGRZKBCE-IBGZPJMESA-N 0 0 408.458 4.243 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438009124 863368864 /nfs/dbraw/zinc/36/88/64/863368864.db2.gz IGUPNVVSHYEUSB-XMSQKQJNSA-N 0 0 409.486 4.437 20 5 HIBDRN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438146657 863566264 /nfs/dbraw/zinc/56/62/64/863566264.db2.gz OVNKHNFJOAZHMG-KRXBEKAOSA-N 0 0 412.489 4.224 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2CCCN2Cc2ccc(F)cc2)n1 ZINC000438224815 863661667 /nfs/dbraw/zinc/66/16/67/863661667.db2.gz QKOBVFIQZJHNJY-LJQANCHMSA-N 0 0 411.437 4.109 20 5 HIBDRN O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000467855871 881707111 /nfs/dbraw/zinc/70/71/11/881707111.db2.gz OARNHCWNVPRVNB-UHFFFAOYSA-N 0 0 414.824 4.249 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000438489493 863908630 /nfs/dbraw/zinc/90/86/30/863908630.db2.gz XOFJMRPWLZBDCH-UHFFFAOYSA-N 0 0 423.429 4.098 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H](O)C(C)(C)C3)cc2[N+](=O)[O-])cc1 ZINC000438538335 863964108 /nfs/dbraw/zinc/96/41/08/863964108.db2.gz UQSFGPNRTMXEQU-LJQANCHMSA-N 0 0 400.500 4.287 20 5 HIBDRN Cn1cc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438538512 863964250 /nfs/dbraw/zinc/96/42/50/863964250.db2.gz FQZCTCRYZLTDGF-OCCSQVGLSA-N 0 0 410.396 4.094 20 5 HIBDRN COCCO[C@@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000438550387 863980011 /nfs/dbraw/zinc/98/00/11/863980011.db2.gz ANZXHVMLOSJZKP-MRXNPFEDSA-N 0 0 406.866 4.278 20 5 HIBDRN C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000467863205 881716384 /nfs/dbraw/zinc/71/63/84/881716384.db2.gz JZUUUVQTPYJYPV-FUHWJXTLSA-N 0 0 405.454 4.317 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000438626311 864054962 /nfs/dbraw/zinc/05/49/62/864054962.db2.gz RUZVMGJYUDWFCE-UHFFFAOYSA-N 0 0 413.327 4.181 20 5 HIBDRN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438633602 864063821 /nfs/dbraw/zinc/06/38/21/864063821.db2.gz NWNHNTQJFAPADK-QGZVFWFLSA-N 0 0 419.275 4.272 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000438656015 864099397 /nfs/dbraw/zinc/09/93/97/864099397.db2.gz OEXUDLUOBVYODG-UHFFFAOYSA-N 0 0 424.482 4.094 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000438668325 864124273 /nfs/dbraw/zinc/12/42/73/864124273.db2.gz XOUCYNJTADNWPZ-UHFFFAOYSA-N 0 0 424.482 4.094 20 5 HIBDRN Cn1cc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438676347 864136846 /nfs/dbraw/zinc/13/68/46/864136846.db2.gz DBIKRIHBXZXUBO-IEBWSBKVSA-N 0 0 404.470 4.137 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1[N+](=O)[O-] ZINC000438782893 864276162 /nfs/dbraw/zinc/27/61/62/864276162.db2.gz CTUFHPQUPWMKFN-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN CCN(c1cccc(F)c1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438784672 864278281 /nfs/dbraw/zinc/27/82/81/864278281.db2.gz JADANXXQLUVDCX-UHFFFAOYSA-N 0 0 417.256 4.020 20 5 HIBDRN O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000438879390 864367949 /nfs/dbraw/zinc/36/79/49/864367949.db2.gz VDUKJZOKTGMZFB-UHFFFAOYSA-N 0 0 414.368 4.387 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000438902858 864382353 /nfs/dbraw/zinc/38/23/53/864382353.db2.gz UISWLDFCIFQDGN-UHFFFAOYSA-N 0 0 409.486 4.489 20 5 HIBDRN COc1cc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)ccc1OCc1ccccc1 ZINC000438902778 864382385 /nfs/dbraw/zinc/38/23/85/864382385.db2.gz OIWRRKFLHMICBN-UHFFFAOYSA-N 0 0 420.465 4.350 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000438906748 864386503 /nfs/dbraw/zinc/38/65/03/864386503.db2.gz GGRZWMYKPWJNAQ-UHFFFAOYSA-N 0 0 417.878 4.018 20 5 HIBDRN Cc1c(CC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] ZINC000438915227 864393260 /nfs/dbraw/zinc/39/32/60/864393260.db2.gz YZUGVVRALUAGRS-UHFFFAOYSA-N 0 0 421.428 4.154 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000438941011 864416513 /nfs/dbraw/zinc/41/65/13/864416513.db2.gz YOQCJERYKUMGFD-AWEZNQCLSA-N 0 0 412.877 4.412 20 5 HIBDRN Cc1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])ccc1-n1nnnc1C(C)C ZINC000438947366 864420493 /nfs/dbraw/zinc/42/04/93/864420493.db2.gz MMAOANWQYHJSDP-UHFFFAOYSA-N 0 0 414.853 4.216 20 5 HIBDRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000438948923 864420958 /nfs/dbraw/zinc/42/09/58/864420958.db2.gz CRZACNKFGFLMGL-SFHVURJKSA-N 0 0 424.375 4.122 20 5 HIBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCNC(=O)c2ccccc21 ZINC000438950349 864422140 /nfs/dbraw/zinc/42/21/40/864422140.db2.gz HIDLJRPYKTWRIU-UHFFFAOYSA-N 0 0 419.462 4.136 20 5 HIBDRN Cc1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nn1-c1cccc(Cl)c1 ZINC000438952497 864424058 /nfs/dbraw/zinc/42/40/58/864424058.db2.gz XDEBGHKXVHGBSK-UHFFFAOYSA-N 0 0 405.241 4.956 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000438954193 864425108 /nfs/dbraw/zinc/42/51/08/864425108.db2.gz QSSOOQHTLHIBLX-KRWDZBQOSA-N 0 0 404.850 4.369 20 5 HIBDRN CC(C)c1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000438957262 864426385 /nfs/dbraw/zinc/42/63/85/864426385.db2.gz GZFRAUQUFPFZQU-UHFFFAOYSA-N 0 0 414.849 4.394 20 5 HIBDRN Cc1c(CC(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000438968071 864434227 /nfs/dbraw/zinc/43/42/27/864434227.db2.gz BIZIYKPAIXATCT-UHFFFAOYSA-N 0 0 424.478 4.058 20 5 HIBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(=O)OC ZINC000438970673 864437034 /nfs/dbraw/zinc/43/70/34/864437034.db2.gz HMZZCWCUXBBLTG-HNNXBMFYSA-N 0 0 408.863 4.081 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000438974153 864439895 /nfs/dbraw/zinc/43/98/95/864439895.db2.gz ZFMDFKRTSGMWRA-UHFFFAOYSA-N 0 0 409.364 4.263 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cccc1[N+](=O)[O-] ZINC000438980097 864444020 /nfs/dbraw/zinc/44/40/20/864444020.db2.gz RQKUJKYTDWYAHK-UHFFFAOYSA-N 0 0 416.437 4.311 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)n2)cc1F ZINC000439006170 864460202 /nfs/dbraw/zinc/46/02/02/864460202.db2.gz SSZGYSMPQHSSKQ-UHFFFAOYSA-N 0 0 401.419 4.356 20 5 HIBDRN COc1ccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c(OCc2ccccc2)c1 ZINC000439024163 864478909 /nfs/dbraw/zinc/47/89/09/864478909.db2.gz SBDLEYFWPZKWQM-UHFFFAOYSA-N 0 0 424.457 4.025 20 5 HIBDRN COc1cc(-c2noc(-c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)ccc1O ZINC000439062267 864511944 /nfs/dbraw/zinc/51/19/44/864511944.db2.gz XIJYUXGTDUHQJM-UHFFFAOYSA-N 0 0 406.192 4.097 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCCc3cccc(C)n3)cc2[N+](=O)[O-])n1 ZINC000467909017 881772588 /nfs/dbraw/zinc/77/25/88/881772588.db2.gz IVVVPQFMXJWHOF-UHFFFAOYSA-N 0 0 414.512 4.187 20 5 HIBDRN Cc1c(CC(=O)NC(C)(C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000439074976 864527485 /nfs/dbraw/zinc/52/74/85/864527485.db2.gz CIUPLNLKIKZGRI-UHFFFAOYSA-N 0 0 405.292 4.346 20 5 HIBDRN Cc1c(CC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000439082290 864530986 /nfs/dbraw/zinc/53/09/86/864530986.db2.gz BTRIUEGHZGRODK-SFHVURJKSA-N 0 0 409.269 4.353 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000439096788 864538100 /nfs/dbraw/zinc/53/81/00/864538100.db2.gz DDADJTASCAEJSM-UHFFFAOYSA-N 0 0 402.756 4.384 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000439104273 864542158 /nfs/dbraw/zinc/54/21/58/864542158.db2.gz ATQLCGXRAPWBOM-UHFFFAOYSA-N 0 0 411.241 4.301 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000439105392 864543394 /nfs/dbraw/zinc/54/33/94/864543394.db2.gz HTRUEBWVVPWNJN-UHFFFAOYSA-N 0 0 407.829 4.185 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccccc1OCC(F)(F)F ZINC000439110078 864547360 /nfs/dbraw/zinc/54/73/60/864547360.db2.gz IIJFZQVFGUCCCH-UHFFFAOYSA-N 0 0 402.756 4.428 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000439112271 864550238 /nfs/dbraw/zinc/55/02/38/864550238.db2.gz CGCAVLRDELFIDO-GOSISDBHSA-N 0 0 417.462 4.011 20 5 HIBDRN COC(=O)CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000439115041 864551133 /nfs/dbraw/zinc/55/11/33/864551133.db2.gz NCKIQFACRRGCII-UHFFFAOYSA-N 0 0 411.414 4.069 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000439125628 864561574 /nfs/dbraw/zinc/56/15/74/864561574.db2.gz WZRSUGWKFCKCRX-UHFFFAOYSA-N 0 0 410.474 4.060 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000439125830 864561807 /nfs/dbraw/zinc/56/18/07/864561807.db2.gz XYVFDWFTJHCIMU-SFHVURJKSA-N 0 0 417.462 4.011 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000439134533 864568174 /nfs/dbraw/zinc/56/81/74/864568174.db2.gz MJJXDEBOKNFJAE-MRXNPFEDSA-N 0 0 404.850 4.369 20 5 HIBDRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000439146613 864579440 /nfs/dbraw/zinc/57/94/40/864579440.db2.gz IUYSOHQOGXNHKS-NSHDSACASA-N 0 0 416.821 4.106 20 5 HIBDRN CC(C)c1nn(C)c2sc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)cc12 ZINC000439148724 864580845 /nfs/dbraw/zinc/58/08/45/864580845.db2.gz UICCXUNQLNAZGB-UHFFFAOYSA-N 0 0 410.459 4.309 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)cc1SC ZINC000439150997 864583660 /nfs/dbraw/zinc/58/36/60/864583660.db2.gz DCFXBOIVONCPRZ-NVXWUHKLSA-N 0 0 410.536 4.429 20 5 HIBDRN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 ZINC000439165884 864596804 /nfs/dbraw/zinc/59/68/04/864596804.db2.gz IIIGODBRCFXUCA-UHFFFAOYSA-N 0 0 403.236 4.434 20 5 HIBDRN COc1ccc(CSCC(=O)NCc2cccc(-c3ccccn3)c2)cc1[N+](=O)[O-] ZINC000439173718 864601305 /nfs/dbraw/zinc/60/13/05/864601305.db2.gz YGBQSULNTVJKCP-UHFFFAOYSA-N 0 0 423.494 4.215 20 5 HIBDRN Cc1c(F)cccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000439230080 864646897 /nfs/dbraw/zinc/64/68/97/864646897.db2.gz DEIDMWICCRASKB-UHFFFAOYSA-N 0 0 400.431 4.438 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1F ZINC000439239075 864655392 /nfs/dbraw/zinc/65/53/92/864655392.db2.gz SNXWGIPSGCGXTN-UHFFFAOYSA-N 0 0 400.431 4.438 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)N(C)[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000439244207 864660466 /nfs/dbraw/zinc/66/04/66/864660466.db2.gz GXUKCAJGMPNUDW-JTQLQIEISA-N 0 0 419.322 4.109 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000439401123 864819914 /nfs/dbraw/zinc/81/99/14/864819914.db2.gz HKDQDMJEFWMDLQ-YOEHRIQHSA-N 0 0 411.458 4.490 20 5 HIBDRN Cn1cc(C(=O)Nc2nc(-c3cccc(O)c3)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439523226 864863294 /nfs/dbraw/zinc/86/32/94/864863294.db2.gz JZTUMYFMHGDQGL-UHFFFAOYSA-N 0 0 421.438 4.077 20 5 HIBDRN COC(=O)c1ccc(COc2ccc(/C=C/c3ccc([N+](=O)[O-])cn3)cc2OC)o1 ZINC000439531372 864866506 /nfs/dbraw/zinc/86/65/06/864866506.db2.gz XGNZMMPYCRMVMY-HWKANZROSA-N 0 0 410.382 4.127 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc([C@H]4CCC(F)(F)C4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000439568603 864892011 /nfs/dbraw/zinc/89/20/11/864892011.db2.gz ITVACBUZCRJOCZ-HNNXBMFYSA-N 0 0 403.389 4.409 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000439632101 864959417 /nfs/dbraw/zinc/95/94/17/864959417.db2.gz HCWUENSDHAKDKL-UHFFFAOYSA-N 0 0 401.850 4.158 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467994538 881840271 /nfs/dbraw/zinc/84/02/71/881840271.db2.gz MMOXLFRXJXFMHY-CYBMUJFWSA-N 0 0 407.854 4.026 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000439880025 865191129 /nfs/dbraw/zinc/19/11/29/865191129.db2.gz QNYLJLJHFRPQSV-KRWDZBQOSA-N 0 0 413.430 4.134 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C ZINC000439884471 865196014 /nfs/dbraw/zinc/19/60/14/865196014.db2.gz UWJAXFKTPHTVMU-KRWDZBQOSA-N 0 0 401.467 4.483 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000439889422 865202133 /nfs/dbraw/zinc/20/21/33/865202133.db2.gz BBEDWIYIUVQIOE-KRWDZBQOSA-N 0 0 417.437 4.346 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000439888891 865202207 /nfs/dbraw/zinc/20/22/07/865202207.db2.gz QSTQOWGLIRJLHP-QGZVFWFLSA-N 0 0 423.473 4.348 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCCO)[C@@H]1CCCc2ccccc21 ZINC000439906717 865217078 /nfs/dbraw/zinc/21/70/78/865217078.db2.gz YVHCWWPGJGMKTA-HXUWFJFHSA-N 0 0 413.474 4.287 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000439916909 865224402 /nfs/dbraw/zinc/22/44/02/865224402.db2.gz RJUFQHFEIRTOPY-UHFFFAOYSA-N 0 0 421.400 4.347 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@H](COC)Cc1ccccc1 ZINC000439916956 865224649 /nfs/dbraw/zinc/22/46/49/865224649.db2.gz RTWWLRGHUGHEAN-SFHVURJKSA-N 0 0 401.463 4.105 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000439918488 865225968 /nfs/dbraw/zinc/22/59/68/865225968.db2.gz UUCNPUJMFDSCDY-UHFFFAOYSA-N 0 0 415.421 4.259 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000439930935 865232367 /nfs/dbraw/zinc/23/23/67/865232367.db2.gz MJEGDFRFUNTZJT-MRVPVSSYSA-N 0 0 404.370 4.352 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000439936211 865235602 /nfs/dbraw/zinc/23/56/02/865235602.db2.gz WPWPANSSRKUGAP-UHFFFAOYSA-N 0 0 403.410 4.208 20 5 HIBDRN O=C(Nc1cc(Cl)c(Cl)cc1F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000439950556 865243237 /nfs/dbraw/zinc/24/32/37/865243237.db2.gz AJCNWGJZWINZFI-UHFFFAOYSA-N 0 0 402.213 4.106 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440005861 865306775 /nfs/dbraw/zinc/30/67/75/865306775.db2.gz IRHCAKYMMJDKFV-DEOSSOPVSA-N 0 0 416.481 4.291 20 5 HIBDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440012406 865310602 /nfs/dbraw/zinc/31/06/02/865310602.db2.gz KYHILQUSUIQKAA-LJQANCHMSA-N 0 0 421.291 4.161 20 5 HIBDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000440013443 865310712 /nfs/dbraw/zinc/31/07/12/865310712.db2.gz NLVPVQOUNVCXJR-LJQANCHMSA-N 0 0 410.392 4.417 20 5 HIBDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000440017585 865311678 /nfs/dbraw/zinc/31/16/78/865311678.db2.gz ASKSEVZGYOZWRF-AREMUKBSSA-N 0 0 414.505 4.485 20 5 HIBDRN Cc1c(CC(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000440049951 865327811 /nfs/dbraw/zinc/32/78/11/865327811.db2.gz KAESBKUIDGWTST-UHFFFAOYSA-N 0 0 408.502 4.285 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CC(C)C)c1ccccc1C ZINC000440060951 865334153 /nfs/dbraw/zinc/33/41/53/865334153.db2.gz JGEVUMHMAYOSDP-SFHVURJKSA-N 0 0 413.474 4.144 20 5 HIBDRN Cc1c(CC(=O)Nc2nnc(SCc3cccs3)s2)cccc1[N+](=O)[O-] ZINC000440109028 865365174 /nfs/dbraw/zinc/36/51/74/865365174.db2.gz RRPDHOOGJXXDRW-UHFFFAOYSA-N 0 0 406.514 4.290 20 5 HIBDRN CC(C)CC[C@](C)(O)CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000440157741 865387736 /nfs/dbraw/zinc/38/77/36/865387736.db2.gz LZHGOTWCKOVDNQ-AOMKIAJQSA-N 0 0 414.506 4.080 20 5 HIBDRN O=C(Nc1ccc(CCC(F)(F)F)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000440301128 865561754 /nfs/dbraw/zinc/56/17/54/865561754.db2.gz CEIDPAUJBNVWOJ-UHFFFAOYSA-N 0 0 422.407 4.444 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCC[C@H](C)CC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000468070140 881885685 /nfs/dbraw/zinc/88/56/85/881885685.db2.gz HMWAHHOVCSGREU-KBPBESRZSA-N 0 0 419.503 4.338 20 5 HIBDRN C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000440459108 865762674 /nfs/dbraw/zinc/76/26/74/865762674.db2.gz DABIRQOSPOURGE-ZDUSSCGKSA-N 0 0 402.472 4.206 20 5 HIBDRN COc1ccc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)cc1[N+](=O)[O-] ZINC000440462213 865765231 /nfs/dbraw/zinc/76/52/31/865765231.db2.gz JIZTUJPBBYPZFW-UHFFFAOYSA-N 0 0 402.457 4.096 20 5 HIBDRN CSc1ccc(-c2nsc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000440471216 865774403 /nfs/dbraw/zinc/77/44/03/865774403.db2.gz UAFYPDBCVKKPSM-UHFFFAOYSA-N 0 0 415.500 4.276 20 5 HIBDRN Cc1nn(C)c2ncc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)cc12 ZINC000440598417 865830922 /nfs/dbraw/zinc/83/09/22/865830922.db2.gz MZTHRDVLYYZGRD-UHFFFAOYSA-N 0 0 401.426 4.032 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(OCC2CC2)CC1 ZINC000440615600 865840850 /nfs/dbraw/zinc/84/08/50/865840850.db2.gz QFKCYINZRIMXCZ-UHFFFAOYSA-N 0 0 418.437 4.123 20 5 HIBDRN CCCCOC1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000440846654 865954491 /nfs/dbraw/zinc/95/44/91/865954491.db2.gz LQAMRDKTELEMJC-KRWDZBQOSA-N 0 0 403.523 4.252 20 5 HIBDRN C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Br)s1 ZINC000440847547 865955320 /nfs/dbraw/zinc/95/53/20/865955320.db2.gz WARFASPEYUXPHT-JTQLQIEISA-N 0 0 408.277 4.251 20 5 HIBDRN CC(=O)c1ccc(OCc2nnc(-c3c(C)onc3-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000440851947 865957086 /nfs/dbraw/zinc/95/70/86/865957086.db2.gz WSEFZZQSSXNLDZ-UHFFFAOYSA-N 0 0 420.381 4.390 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ncc[nH]1)c1cc(C)ccc1Cl ZINC000440878751 865974008 /nfs/dbraw/zinc/97/40/08/865974008.db2.gz UPBLOKPJGXHAMK-UHFFFAOYSA-N 0 0 400.822 4.135 20 5 HIBDRN COc1cc(C(=O)N(Cc2ncc[nH]2)c2cc(C)ccc2Cl)cc([N+](=O)[O-])c1C ZINC000440906012 866002956 /nfs/dbraw/zinc/00/29/56/866002956.db2.gz RPGZAEATHZOQHE-UHFFFAOYSA-N 0 0 414.849 4.444 20 5 HIBDRN COc1cc(OC)cc(OCCCN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000440906925 866003889 /nfs/dbraw/zinc/00/38/89/866003889.db2.gz VKCXFKJNCXYGPT-UHFFFAOYSA-N 0 0 423.853 4.198 20 5 HIBDRN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441064892 866149398 /nfs/dbraw/zinc/14/93/98/866149398.db2.gz PDYZMXWRCKOFGW-BEVDRBHNSA-N 0 0 410.495 4.433 20 5 HIBDRN O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441066665 866152653 /nfs/dbraw/zinc/15/26/53/866152653.db2.gz PBRQTYNZQXDGNI-INIZCTEOSA-N 0 0 420.494 4.150 20 5 HIBDRN CCC(CC)(CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000441068923 866156520 /nfs/dbraw/zinc/15/65/20/866156520.db2.gz VXWRUOPNGMETMQ-UHFFFAOYSA-N 0 0 416.499 4.455 20 5 HIBDRN CC(C)OC(=O)[C@H](C)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441073768 866164419 /nfs/dbraw/zinc/16/44/19/866164419.db2.gz WHIHCPWBDYJAJD-CQSZACIVSA-N 0 0 402.472 4.064 20 5 HIBDRN Cc1cc(Br)ccc1NC(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441224680 866301064 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CCCN(C(=O)c1cc2c(c(Br)c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000441451273 866526835 /nfs/dbraw/zinc/52/68/35/866526835.db2.gz RBANAOKFAOFIMF-UHFFFAOYSA-N 0 0 407.220 4.143 20 5 HIBDRN CCCN(C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000441453616 866529158 /nfs/dbraw/zinc/52/91/58/866529158.db2.gz XXKBJRCJXUSYOY-UHFFFAOYSA-N 0 0 401.507 4.203 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCNC2=O)cc1C ZINC000441473072 866549339 /nfs/dbraw/zinc/54/93/39/866549339.db2.gz LFNDIVPPLAVQOD-UHFFFAOYSA-N 0 0 414.487 4.187 20 5 HIBDRN CCOc1ccccc1CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000441472098 866549730 /nfs/dbraw/zinc/54/97/30/866549730.db2.gz INEOWZSDGLXXND-MRXNPFEDSA-N 0 0 423.469 4.086 20 5 HIBDRN CCCN(C(=O)c1nn(-c2c(F)cccc2F)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000441471733 866550593 /nfs/dbraw/zinc/55/05/93/866550593.db2.gz YWJREXYVIPIZRT-UHFFFAOYSA-N 0 0 400.385 4.424 20 5 HIBDRN Cc1c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cnn1CCC(C)C ZINC000441540402 866616918 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ZINC000468245732 882147226 /nfs/dbraw/zinc/14/72/26/882147226.db2.gz QSUJEBQOIUMCRS-KRWDZBQOSA-N 0 0 414.461 4.012 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1coc(-c2c(F)cccc2F)n1 ZINC000443451576 868040874 /nfs/dbraw/zinc/04/08/74/868040874.db2.gz YVCMAZCOASTHBW-LLVKDONJSA-N 0 0 408.382 4.204 20 5 HIBDRN C[C@@H](Cn1cc(Br)cc([N+](=O)[O-])c1=O)c1ccc(C(F)(F)F)cc1 ZINC000443474500 868060556 /nfs/dbraw/zinc/06/05/56/868060556.db2.gz JMPKZDFACLAYER-VIFPVBQESA-N 0 0 405.170 4.342 20 5 HIBDRN C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000443494549 868070201 /nfs/dbraw/zinc/07/02/01/868070201.db2.gz ASGCDHDFLWPPAS-ZCFIWIBFSA-N 0 0 411.324 4.057 20 5 HIBDRN CCc1ccc([C@@H](Nc2ncc([N+](=O)[O-])s2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000443505766 868072770 /nfs/dbraw/zinc/07/27/70/868072770.db2.gz BZHQEQMOJUMDLK-GOSISDBHSA-N 0 0 417.512 4.219 20 5 HIBDRN CS(=O)(=O)c1cccc([C@@H](Nc2ncc([N+](=O)[O-])s2)c2ccc(Cl)cc2)c1 ZINC000443506792 868072888 /nfs/dbraw/zinc/07/28/88/868072888.db2.gz GREXIMYIOMIORV-INIZCTEOSA-N 0 0 423.903 4.310 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(F)cc(F)c1Br ZINC000443518071 868078573 /nfs/dbraw/zinc/07/85/73/868078573.db2.gz BWUOZCDATZJEGQ-UHFFFAOYSA-N 0 0 400.179 4.299 20 5 HIBDRN Cc1cc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)nc(-c2ccc(Cl)cc2)n1 ZINC000443518435 868078838 /nfs/dbraw/zinc/07/88/38/868078838.db2.gz SFAOVBYETJZWFA-UHFFFAOYSA-N 0 0 406.833 4.320 20 5 HIBDRN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000443522088 868081434 /nfs/dbraw/zinc/08/14/34/868081434.db2.gz LJOKGVPTLHLWCO-UHFFFAOYSA-N 0 0 401.275 4.213 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443650964 868245327 /nfs/dbraw/zinc/24/53/27/868245327.db2.gz QMYIGGRULCCCKK-ZIAGYGMSSA-N 0 0 412.421 4.082 20 5 HIBDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443689716 868292210 /nfs/dbraw/zinc/29/22/10/868292210.db2.gz BMJBKDGYJVLJKT-GFCCVEGCSA-N 0 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CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443874107 868404460 /nfs/dbraw/zinc/40/44/60/868404460.db2.gz ISNNAVYTWMTWMM-UHFFFAOYSA-N 0 0 407.348 4.165 20 5 HIBDRN CNC(=O)c1ccc(N[C@H](c2ccc(OC)cc2)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000443884304 868419775 /nfs/dbraw/zinc/41/97/75/868419775.db2.gz WNSGRGHVFYQUHP-JOCHJYFZSA-N 0 0 421.453 4.173 20 5 HIBDRN COCCOc1ccc(F)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443903195 868439169 /nfs/dbraw/zinc/43/91/69/868439169.db2.gz DCXGCTZFWLQIHR-UHFFFAOYSA-N 0 0 402.300 4.030 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000443945190 868480336 /nfs/dbraw/zinc/48/03/36/868480336.db2.gz IMSAPCQCPUVIKW-INIZCTEOSA-N 0 0 410.434 4.175 20 5 HIBDRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000443944224 868481118 /nfs/dbraw/zinc/48/11/18/868481118.db2.gz GJVKYHIKFIJDSP-IBGZPJMESA-N 0 0 413.474 4.433 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000443954087 868489995 /nfs/dbraw/zinc/48/99/95/868489995.db2.gz BGHCMSHCYINAQN-UHFFFAOYSA-N 0 0 419.441 4.181 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(F)cc1I ZINC000443957123 868492399 /nfs/dbraw/zinc/49/23/99/868492399.db2.gz IKTVWEFJGCSARM-UHFFFAOYSA-N 0 0 418.137 4.038 20 5 HIBDRN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443960084 868494014 /nfs/dbraw/zinc/49/40/14/868494014.db2.gz PFJXYKRUIIZPLF-SFHVURJKSA-N 0 0 413.474 4.433 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])cc1OC(F)F ZINC000444004532 868526731 /nfs/dbraw/zinc/52/67/31/868526731.db2.gz MMOQJGSHYLOKGT-SMDDNHRTSA-N 0 0 410.373 4.411 20 5 HIBDRN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000444009200 868532386 /nfs/dbraw/zinc/53/23/86/868532386.db2.gz LJQQRBPRAFMPFT-KSFYIVLOSA-N 0 0 404.422 4.357 20 5 HIBDRN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000444009197 868532631 /nfs/dbraw/zinc/53/26/31/868532631.db2.gz LJQQRBPRAFMPFT-AOMKIAJQSA-N 0 0 404.422 4.357 20 5 HIBDRN CN(CCN(C)c1ccccc1)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444009021 868533032 /nfs/dbraw/zinc/53/30/32/868533032.db2.gz MQFOFNDZADSFHI-UHFFFAOYSA-N 0 0 421.447 4.168 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444017717 868542919 /nfs/dbraw/zinc/54/29/19/868542919.db2.gz APRXLPGAJUPQRS-KSSFIOAISA-N 0 0 408.379 4.385 20 5 HIBDRN COc1cccc(C(=O)NCC2(c3cccc(Br)c3)CCC2)c1[N+](=O)[O-] ZINC000444022136 868548295 /nfs/dbraw/zinc/54/82/95/868548295.db2.gz NMSNHILCNBITEE-UHFFFAOYSA-N 0 0 419.275 4.218 20 5 HIBDRN CS[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444022001 868548739 /nfs/dbraw/zinc/54/87/39/868548739.db2.gz PNSUQXRADLZEGB-QWHCGFSZSA-N 0 0 402.466 4.364 20 5 HIBDRN CC1CCC(N2CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CC2)CC1 ZINC000444027006 868558790 /nfs/dbraw/zinc/55/87/90/868558790.db2.gz AYEBYTUGDRIWCW-UHFFFAOYSA-N 0 0 421.516 4.157 20 5 HIBDRN O=C(Nc1cc(C2CCCC2)[nH]n1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444040925 868580167 /nfs/dbraw/zinc/58/01/67/868580167.db2.gz UVGMHGUPPLHXNW-UHFFFAOYSA-N 0 0 408.408 4.593 20 5 HIBDRN CCO[C@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C12CCC2 ZINC000444070691 868602800 /nfs/dbraw/zinc/60/28/00/868602800.db2.gz DRUFRTJBGHSVJJ-MSOLQXFVSA-N 0 0 412.436 4.037 20 5 HIBDRN Cc1nc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1-c1ccc(Cl)cc1 ZINC000468284281 882207311 /nfs/dbraw/zinc/20/73/11/882207311.db2.gz CZKUDVTTZJYABW-INIZCTEOSA-N 0 0 413.865 4.293 20 5 HIBDRN COc1cccc(O[C@H](C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444082163 868607150 /nfs/dbraw/zinc/60/71/50/868607150.db2.gz MSFHCXFNIPLBKA-CQSZACIVSA-N 0 0 420.440 4.026 20 5 HIBDRN Cc1ccccc1O[C@@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444083093 868607162 /nfs/dbraw/zinc/60/71/62/868607162.db2.gz OPBWJVHPDDGKJB-AWEZNQCLSA-N 0 0 422.431 4.465 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444090918 868611243 /nfs/dbraw/zinc/61/12/43/868611243.db2.gz ZVQQDNXBAWVNMH-UHFFFAOYSA-N 0 0 415.449 4.342 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1[N+](=O)[O-] ZINC000444169891 868647459 /nfs/dbraw/zinc/64/74/59/868647459.db2.gz LRIMEVOQSAJNOV-CQSZACIVSA-N 0 0 401.422 4.389 20 5 HIBDRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444176391 868649906 /nfs/dbraw/zinc/64/99/06/868649906.db2.gz PBZANELMOAMAGY-XMHCIUCPSA-N 0 0 414.452 4.141 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@@H](C)CO2)c1 ZINC000444208714 868666571 /nfs/dbraw/zinc/66/65/71/868666571.db2.gz DAPKGGARUHDILE-OXJNMPFZSA-N 0 0 408.458 4.224 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H](C)CO2)c1 ZINC000444208716 868666615 /nfs/dbraw/zinc/66/66/15/868666615.db2.gz DAPKGGARUHDILE-UZLBHIALSA-N 0 0 408.458 4.224 20 5 HIBDRN C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1-n1cccn1 ZINC000444224432 868674815 /nfs/dbraw/zinc/67/48/15/868674815.db2.gz KRMARQYKQHSDLV-MRXNPFEDSA-N 0 0 408.461 4.358 20 5 HIBDRN COc1cccc2c1CC[C@H]2NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444225874 868676112 /nfs/dbraw/zinc/67/61/12/868676112.db2.gz NNUBJVFGMYOXIO-LJQANCHMSA-N 0 0 420.415 4.385 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000444230911 868679275 /nfs/dbraw/zinc/67/92/75/868679275.db2.gz BWEFDDNYLFYKQC-UHFFFAOYSA-N 0 0 422.488 4.414 20 5 HIBDRN CC(C)c1csc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n1 ZINC000444234146 868683269 /nfs/dbraw/zinc/68/32/69/868683269.db2.gz VBKOODSMEOMTJP-UHFFFAOYSA-N 0 0 413.449 4.469 20 5 HIBDRN C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc([S@@](C)=O)cc1 ZINC000444236322 868684866 /nfs/dbraw/zinc/68/48/66/868684866.db2.gz HGFGAXYQOWUWBO-GNDSEDMPSA-N 0 0 422.481 4.049 20 5 HIBDRN CCC1(CC)[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@H]1OC ZINC000444237899 868687294 /nfs/dbraw/zinc/68/72/94/868687294.db2.gz FIAAGJVXFJZSFW-RTBURBONSA-N 0 0 414.452 4.283 20 5 HIBDRN CC(C)c1csc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n1 ZINC000444240529 868688720 /nfs/dbraw/zinc/68/87/20/868688720.db2.gz RQXRHYYLBUUKLC-UHFFFAOYSA-N 0 0 413.449 4.469 20 5 HIBDRN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444243726 868692191 /nfs/dbraw/zinc/69/21/91/868692191.db2.gz WBSDEVWBDVAUMD-CQSZACIVSA-N 0 0 402.425 4.212 20 5 HIBDRN O=C(Nc1cncc(Br)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444245830 868693257 /nfs/dbraw/zinc/69/32/57/868693257.db2.gz KZWVETCBNGYMSR-UHFFFAOYSA-N 0 0 412.218 4.230 20 5 HIBDRN CC(C)CSCCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444248506 868696721 /nfs/dbraw/zinc/69/67/21/868696721.db2.gz UQHSSJLOZNEEOT-UHFFFAOYSA-N 0 0 404.482 4.469 20 5 HIBDRN Cc1noc(C)c1[C@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444251515 868698510 /nfs/dbraw/zinc/69/85/10/868698510.db2.gz YDISFZYFFXYHIP-SNVBAGLBSA-N 0 0 411.408 4.098 20 5 HIBDRN CN1CCc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cc21 ZINC000444293741 868722007 /nfs/dbraw/zinc/72/20/07/868722007.db2.gz XDHVZWQLNFZBDA-UHFFFAOYSA-N 0 0 405.404 4.204 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444292803 868722280 /nfs/dbraw/zinc/72/22/80/868722280.db2.gz SOSGUCCXPCKAQZ-JCQPUDPBSA-N 0 0 422.431 4.466 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000444295182 868724930 /nfs/dbraw/zinc/72/49/30/868724930.db2.gz DRTOZZPNMGCYBO-DEOSSOPVSA-N 0 0 412.489 4.095 20 5 HIBDRN CN(CC1(O)CCC1)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000468300288 882222917 /nfs/dbraw/zinc/22/29/17/882222917.db2.gz KFSGEVIVIWMMTO-UHFFFAOYSA-N 0 0 406.891 4.386 20 5 HIBDRN Cn1c(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)nc2ccc(F)cc21 ZINC000444328687 868754655 /nfs/dbraw/zinc/75/46/55/868754655.db2.gz TWNKRZUUUHVQNR-UHFFFAOYSA-N 0 0 404.376 4.099 20 5 HIBDRN COC(=O)CC1(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCCCC1 ZINC000444332401 868759440 /nfs/dbraw/zinc/75/94/40/868759440.db2.gz ZEKCNJSQJHYSKE-UHFFFAOYSA-N 0 0 424.472 4.064 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000444412938 868816691 /nfs/dbraw/zinc/81/66/91/868816691.db2.gz RXXFALDPCBUZPN-XIKOKIGWSA-N 0 0 409.269 4.433 20 5 HIBDRN Cc1c(NCc2noc(Cc3ccc(Br)cc3)n2)cccc1[N+](=O)[O-] ZINC000444419097 868820597 /nfs/dbraw/zinc/82/05/97/868820597.db2.gz MUGGQQQLRGBDAI-UHFFFAOYSA-N 0 0 403.236 4.252 20 5 HIBDRN O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444430466 868826279 /nfs/dbraw/zinc/82/62/79/868826279.db2.gz FKELKDCRPVTDQC-NSHDSACASA-N 0 0 423.269 4.138 20 5 HIBDRN C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000444435079 868827532 /nfs/dbraw/zinc/82/75/32/868827532.db2.gz KWVBQHVSDRCYHK-JTQLQIEISA-N 0 0 416.231 4.102 20 5 HIBDRN Cc1n[nH]c(C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000444441580 868829029 /nfs/dbraw/zinc/82/90/29/868829029.db2.gz UWOCFWMVUIPFQW-SNVBAGLBSA-N 0 0 410.274 4.069 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000444474868 868844438 /nfs/dbraw/zinc/84/44/38/868844438.db2.gz DTCGPMQQUSDVMA-ACJLOTCBSA-N 0 0 402.413 4.106 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000444474872 868844612 /nfs/dbraw/zinc/84/46/12/868844612.db2.gz DTCGPMQQUSDVMA-SCLBCKFNSA-N 0 0 402.413 4.106 20 5 HIBDRN O=C(NC[C@H](CO)Cc1c(F)cccc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000444479246 868847267 /nfs/dbraw/zinc/84/72/67/868847267.db2.gz QVWDCTXDDFDXOV-LLVKDONJSA-N 0 0 422.865 4.183 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c(Cl)c1 ZINC000444514526 868865769 /nfs/dbraw/zinc/86/57/69/868865769.db2.gz MHGPMAFFTMMBLD-UHFFFAOYSA-N 0 0 400.822 4.473 20 5 HIBDRN Cc1ccc2c(CCNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cn(C)c2c1 ZINC000444517992 868866894 /nfs/dbraw/zinc/86/68/94/868866894.db2.gz HGQDYWWMXKKJLX-UHFFFAOYSA-N 0 0 423.516 4.314 20 5 HIBDRN COc1cc(C(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000468309390 882236515 /nfs/dbraw/zinc/23/65/15/882236515.db2.gz VXDXXNRHCCHSAP-LLVKDONJSA-N 0 0 412.364 4.164 20 5 HIBDRN O=C(NCc1ccc2c(n1)CCCC2)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444550256 868878773 /nfs/dbraw/zinc/87/87/73/868878773.db2.gz QRMSXOBVARFBKS-UHFFFAOYSA-N 0 0 419.431 4.163 20 5 HIBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCCC12CCC2 ZINC000444616226 868908832 /nfs/dbraw/zinc/90/88/32/868908832.db2.gz NJYVYCJCRLGBQY-UHFFFAOYSA-N 0 0 411.424 4.375 20 5 HIBDRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000444627842 868918476 /nfs/dbraw/zinc/91/84/76/868918476.db2.gz BIDMGKMBIVSPBS-UHFFFAOYSA-N 0 0 421.482 4.070 20 5 HIBDRN Cc1ccc(-c2nc(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)cs2)c(C)c1 ZINC000444645569 868929311 /nfs/dbraw/zinc/92/93/11/868929311.db2.gz PPCGJGMGUHIEEF-UHFFFAOYSA-N 0 0 407.455 4.141 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000444647115 868929497 /nfs/dbraw/zinc/92/94/97/868929497.db2.gz UOGBCPLYDPZJIG-UHFFFAOYSA-N 0 0 424.363 4.472 20 5 HIBDRN C[C@@H](N[C@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000444656938 868935382 /nfs/dbraw/zinc/93/53/82/868935382.db2.gz IVIVBEOFMLZCRA-VXGBXAGGSA-N 0 0 403.389 4.017 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](c3ccccc3OC(F)F)C(F)(F)F)nc2c1 ZINC000444690390 868959875 /nfs/dbraw/zinc/95/98/75/868959875.db2.gz SHYCCSMWRWYERB-HNNXBMFYSA-N 0 0 416.306 4.466 20 5 HIBDRN C[C@@H](CNc1ccccc1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444743047 868984245 /nfs/dbraw/zinc/98/42/45/868984245.db2.gz KLOFCEXJGGXCGT-ZDUSSCGKSA-N 0 0 407.420 4.190 20 5 HIBDRN Cn1c(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)nc2cccc(Cl)c21 ZINC000444769927 868995282 /nfs/dbraw/zinc/99/52/82/868995282.db2.gz BAZBXKPOHBLIBL-UHFFFAOYSA-N 0 0 402.841 4.474 20 5 HIBDRN Cc1ccccc1[C@H](CC(F)(F)F)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000444777838 868997974 /nfs/dbraw/zinc/99/79/74/868997974.db2.gz GXRIJAFECINHRM-KRWDZBQOSA-N 0 0 407.392 4.076 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCC(CO)(Cc4ccccc4)CC3)co2)cc1 ZINC000444784771 869002413 /nfs/dbraw/zinc/00/24/13/869002413.db2.gz OUAYGGMDEQMALQ-UHFFFAOYSA-N 0 0 407.470 4.067 20 5 HIBDRN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444824844 869033325 /nfs/dbraw/zinc/03/33/25/869033325.db2.gz IAPSODVCVFZCFG-OAQYLSRUSA-N 0 0 415.493 4.231 20 5 HIBDRN CN(CCOc1ccccc1Cl)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000444829341 869037269 /nfs/dbraw/zinc/03/72/69/869037269.db2.gz QQTXRWRXKVBUIG-UHFFFAOYSA-N 0 0 419.684 4.223 20 5 HIBDRN CN(CCOc1ccc(Cl)cc1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000444830745 869038396 /nfs/dbraw/zinc/03/83/96/869038396.db2.gz YCWWOAXKRHJUEV-UHFFFAOYSA-N 0 0 419.684 4.223 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC(c1ccccc1)c1ccccc1 ZINC000444848216 869051668 /nfs/dbraw/zinc/05/16/68/869051668.db2.gz KPFKXIVDTLVEOU-UHFFFAOYSA-N 0 0 401.426 4.060 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1OC ZINC000444847060 869052007 /nfs/dbraw/zinc/05/20/07/869052007.db2.gz IQTWCSCPEAWXPI-UHFFFAOYSA-N 0 0 416.477 4.409 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000444854417 869057070 /nfs/dbraw/zinc/05/70/70/869057070.db2.gz RUKVLYSXRJYESC-HXUWFJFHSA-N 0 0 415.453 4.254 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000444894666 869082245 /nfs/dbraw/zinc/08/22/45/869082245.db2.gz JSYQLLSSXMMQCK-UHFFFAOYSA-N 0 0 415.409 4.024 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000444901896 869089725 /nfs/dbraw/zinc/08/97/25/869089725.db2.gz LTLWIZMKUSLSHY-RDJZCZTQSA-N 0 0 409.801 4.048 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000444901898 869089789 /nfs/dbraw/zinc/08/97/89/869089789.db2.gz LTLWIZMKUSLSHY-WBVHZDCISA-N 0 0 409.801 4.048 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000444905492 869092404 /nfs/dbraw/zinc/09/24/04/869092404.db2.gz RBVDXWIOKWRZIW-HXUWFJFHSA-N 0 0 406.442 4.412 20 5 HIBDRN COCCSc1ccc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000444920424 869104648 /nfs/dbraw/zinc/10/46/48/869104648.db2.gz LCDISGIRZSJJJG-CYBMUJFWSA-N 0 0 405.476 4.225 20 5 HIBDRN C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1noc(-c2ccccc2)n1 ZINC000444974410 869136988 /nfs/dbraw/zinc/13/69/88/869136988.db2.gz HJAOMUMZPYIKFY-AWEZNQCLSA-N 0 0 410.433 4.222 20 5 HIBDRN COc1ccc(CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c(Cl)c1 ZINC000444983347 869142038 /nfs/dbraw/zinc/14/20/38/869142038.db2.gz HTQYCGCVWMAWCQ-UHFFFAOYSA-N 0 0 406.869 4.316 20 5 HIBDRN CCn1c(CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc2ccccc21 ZINC000444988253 869145864 /nfs/dbraw/zinc/14/58/64/869145864.db2.gz FJHVRBAOYYQAJH-UHFFFAOYSA-N 0 0 410.477 4.023 20 5 HIBDRN CC[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Oc1cccc(F)c1 ZINC000444990205 869147037 /nfs/dbraw/zinc/14/70/37/869147037.db2.gz IMHDRRJNCAJMEW-INIZCTEOSA-N 0 0 404.441 4.408 20 5 HIBDRN CC[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Oc1ccccc1F ZINC000445014684 869166402 /nfs/dbraw/zinc/16/64/02/869166402.db2.gz YAXWEJASMHKDMC-HNNXBMFYSA-N 0 0 404.441 4.408 20 5 HIBDRN C[C@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@H](c2ccsc2)O1 ZINC000445023935 869173482 /nfs/dbraw/zinc/17/34/82/869173482.db2.gz UDCPKNYGKAVYRT-VBKZILBWSA-N 0 0 404.491 4.345 20 5 HIBDRN C[C@@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC000468336908 882271182 /nfs/dbraw/zinc/27/11/82/882271182.db2.gz PNUPMRXKEYTPOM-LJQANCHMSA-N 0 0 406.891 4.386 20 5 HIBDRN C[C@@]1(O)CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000468339200 882272806 /nfs/dbraw/zinc/27/28/06/882272806.db2.gz QOSQPKBUCLCDPI-LJQANCHMSA-N 0 0 406.891 4.386 20 5 HIBDRN C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2cccnc2)cc1 ZINC000445121676 869228536 /nfs/dbraw/zinc/22/85/36/869228536.db2.gz ZEQFSHCRSYEQDU-AWEZNQCLSA-N 0 0 416.441 4.094 20 5 HIBDRN CC(C)(C)Oc1cccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n1 ZINC000445133452 869234563 /nfs/dbraw/zinc/23/45/63/869234563.db2.gz INXZPYDYAPYHBT-UHFFFAOYSA-N 0 0 401.466 4.184 20 5 HIBDRN Cc1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nn1-c1cc(C)cc(C)c1 ZINC000445144823 869241135 /nfs/dbraw/zinc/24/11/35/869241135.db2.gz YMWSIOMYOSEHPC-UHFFFAOYSA-N 0 0 422.488 5.045 20 5 HIBDRN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000445174628 869259565 /nfs/dbraw/zinc/25/95/65/869259565.db2.gz RUQQRJZUXPNINH-OAQYLSRUSA-N 0 0 420.415 4.173 20 5 HIBDRN Cn1c(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc2cc(Cl)ccc21 ZINC000445206361 869275380 /nfs/dbraw/zinc/27/53/80/869275380.db2.gz AFGUOKIIVYOSJB-UHFFFAOYSA-N 0 0 416.868 4.151 20 5 HIBDRN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000468349797 882286695 /nfs/dbraw/zinc/28/66/95/882286695.db2.gz FZXZPCITEDZUBC-LLVKDONJSA-N 0 0 410.804 4.441 20 5 HIBDRN Cn1cc(CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c2ccc(F)cc21 ZINC000445219712 869283041 /nfs/dbraw/zinc/28/30/41/869283041.db2.gz YOCOVNAJKVPHNI-UHFFFAOYSA-N 0 0 413.452 4.285 20 5 HIBDRN Cc1nc(CN(C)C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])no1 ZINC000468346710 882283059 /nfs/dbraw/zinc/28/30/59/882283059.db2.gz CGPAVAWGRZYXTL-UHFFFAOYSA-N 0 0 418.862 4.363 20 5 HIBDRN CC[C@@H](c1noc(CCn2cc([N+](=O)[O-])nc2C)n1)c1ccc(Br)cc1 ZINC000445256938 869309483 /nfs/dbraw/zinc/30/94/83/869309483.db2.gz DUGHBJIYMNCNGB-CQSZACIVSA-N 0 0 420.267 4.030 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCc1cccc(Oc2ccccc2)c1 ZINC000445258896 869310830 /nfs/dbraw/zinc/31/08/30/869310830.db2.gz BYTAVXOXKQJQAS-UHFFFAOYSA-N 0 0 417.425 4.263 20 5 HIBDRN CCN(Cc1ccc(OC)cc1OC)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445260991 869312309 /nfs/dbraw/zinc/31/23/09/869312309.db2.gz NDSPDCJSXZYGKD-UHFFFAOYSA-N 0 0 416.477 4.361 20 5 HIBDRN O=C(NCCc1ccccc1OC(F)F)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445261611 869313936 /nfs/dbraw/zinc/31/39/36/869313936.db2.gz UBCPDVHLVZEGNZ-UHFFFAOYSA-N 0 0 408.404 4.255 20 5 HIBDRN CC[C@@H](C)c1ccc(NC(=O)Cc2noc(CCNc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000445274130 869320938 /nfs/dbraw/zinc/32/09/38/869320938.db2.gz QTTZJIATGJKBNP-OAHLLOKOSA-N 0 0 423.473 4.327 20 5 HIBDRN CC[C@H](C)c1ccc(NC(=O)Cc2noc(CCNc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000445274128 869321262 /nfs/dbraw/zinc/32/12/62/869321262.db2.gz QTTZJIATGJKBNP-HNNXBMFYSA-N 0 0 423.473 4.327 20 5 HIBDRN COc1ccc(NC(=O)Cc2noc(-c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)cc1 ZINC000445285315 869336327 /nfs/dbraw/zinc/33/63/27/869336327.db2.gz RVELXXKXRCXZBR-UHFFFAOYSA-N 0 0 410.430 4.132 20 5 HIBDRN CCOc1ccc(-c2nc(CC(=O)Nc3cccc4ccccc43)no2)cc1[N+](=O)[O-] ZINC000445340695 869403472 /nfs/dbraw/zinc/40/34/72/869403472.db2.gz GOPGYZCSBFFJFH-UHFFFAOYSA-N 0 0 418.409 4.378 20 5 HIBDRN O=C(Cc1noc(CCc2cccc([N+](=O)[O-])c2)n1)Nc1ccc(Cl)cc1Cl ZINC000445368770 869438944 /nfs/dbraw/zinc/43/89/44/869438944.db2.gz FLFNPTHRUADAAH-UHFFFAOYSA-N 0 0 421.240 4.251 20 5 HIBDRN O=C(Cc1noc(-c2ccc(F)cc2[N+](=O)[O-])n1)Nc1cc(Cl)cc(Cl)c1 ZINC000445372606 869447283 /nfs/dbraw/zinc/44/72/83/869447283.db2.gz FCJSPQAYKPMJLJ-UHFFFAOYSA-N 0 0 411.176 4.272 20 5 HIBDRN O=C(Cc1noc(COc2cccc([N+](=O)[O-])c2)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000445372736 869448623 /nfs/dbraw/zinc/44/86/23/869448623.db2.gz FRDIJOSFTMMCEA-UHFFFAOYSA-N 0 0 423.212 4.045 20 5 HIBDRN O=C(Cc1noc(CNc2ccccc2[N+](=O)[O-])n1)Nc1cc(Cl)cc(Cl)c1 ZINC000445377577 869456275 /nfs/dbraw/zinc/45/62/75/869456275.db2.gz ULUIGGBWDBDFOE-UHFFFAOYSA-N 0 0 422.228 4.078 20 5 HIBDRN O=C(Cc1noc(CSc2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(F)c(Cl)c1 ZINC000445378364 869458855 /nfs/dbraw/zinc/45/88/55/869458855.db2.gz FPJHNKBMUOFUGJ-UHFFFAOYSA-N 0 0 422.825 4.244 20 5 HIBDRN CC(C)(C)c1csc(NC(=O)Cc2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)n1 ZINC000445418888 869501812 /nfs/dbraw/zinc/50/18/12/869501812.db2.gz OWYSPOUYKQUJTD-CMDGGOBGSA-N 0 0 413.459 4.083 20 5 HIBDRN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](c1nc(-c3ccc([N+](=O)[O-])s3)no1)CC2 ZINC000445470209 869543796 /nfs/dbraw/zinc/54/37/96/869543796.db2.gz ITCLAHSCXBSCPO-MRVPVSSYSA-N 0 0 411.365 4.096 20 5 HIBDRN COc1ccc(CSCc2nc(-c3cc(C)c(O)c(C)c3)no2)cc1[N+](=O)[O-] ZINC000445472030 869545062 /nfs/dbraw/zinc/54/50/62/869545062.db2.gz JEWFXTVRGKHKJJ-UHFFFAOYSA-N 0 0 401.444 4.409 20 5 HIBDRN CC(=O)c1cccc(OCc2cc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)no2)c1 ZINC000445475027 869547334 /nfs/dbraw/zinc/54/73/34/869547334.db2.gz SIADXDKUUSWQIT-UHFFFAOYSA-N 0 0 412.383 4.143 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(-c3cn(-c4ccc(Br)cc4)cn3)n2)s1 ZINC000445476457 869549016 /nfs/dbraw/zinc/54/90/16/869549016.db2.gz CTIXRSFGRVTWPW-UHFFFAOYSA-N 0 0 418.232 4.322 20 5 HIBDRN O=C(c1ccc(F)cc1F)N1CCC(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CC1 ZINC000445479474 869551285 /nfs/dbraw/zinc/55/12/85/869551285.db2.gz VXBQNSUBWRZGHI-UHFFFAOYSA-N 0 0 420.397 4.004 20 5 HIBDRN CC(C)c1nc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)nn1-c1ccccc1F ZINC000445479499 869551471 /nfs/dbraw/zinc/55/14/71/869551471.db2.gz WBKBKLYMHFBQCP-UHFFFAOYSA-N 0 0 400.395 4.217 20 5 HIBDRN C[C@H](SCC(=O)Nc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000445482093 869554675 /nfs/dbraw/zinc/55/46/75/869554675.db2.gz OUDDUAWYSGTTHQ-VIFPVBQESA-N 0 0 408.436 4.278 20 5 HIBDRN CCCOc1ccc([C@H](C)NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000445495426 869563353 /nfs/dbraw/zinc/56/33/53/869563353.db2.gz VRSHOXXTOFZOMY-HNNXBMFYSA-N 0 0 413.474 4.221 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445507267 869570652 /nfs/dbraw/zinc/57/06/52/869570652.db2.gz UQPRTUUFHZJFOH-UHFFFAOYSA-N 0 0 422.416 4.189 20 5 HIBDRN Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2cccnc12 ZINC000445511581 869574515 /nfs/dbraw/zinc/57/45/15/869574515.db2.gz JPHMRLBXAXQKIX-UHFFFAOYSA-N 0 0 400.232 4.395 20 5 HIBDRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000445520636 869580378 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SVGFQLINDIWZJP-UHFFFAOYSA-N 0 0 411.748 4.184 20 5 HIBDRN COc1cc(Cc2noc(CCSc3ccccc3F)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445820905 869843201 /nfs/dbraw/zinc/84/32/01/869843201.db2.gz VGVOSTRSWYMQTF-UHFFFAOYSA-N 0 0 419.434 4.060 20 5 HIBDRN COc1cc(Cc2noc(C[C@@H](C)c3ccc(F)cc3F)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445823241 869845404 /nfs/dbraw/zinc/84/54/04/869845404.db2.gz BRHPDVCSPLJIME-LLVKDONJSA-N 0 0 419.384 4.210 20 5 HIBDRN CC(C)OCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000445918266 869887577 /nfs/dbraw/zinc/88/75/77/869887577.db2.gz CYROVMKDKYMQMA-UHFFFAOYSA-N 0 0 407.264 4.464 20 5 HIBDRN Cc1c(C)n(Cc2ccccc2)c2ncnc(NC(=O)Cc3ccccc3[N+](=O)[O-])c12 ZINC000445951862 869916351 /nfs/dbraw/zinc/91/63/51/869916351.db2.gz GEHLWJIAUKUPOJ-UHFFFAOYSA-N 0 0 415.453 4.186 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000446048032 870010397 /nfs/dbraw/zinc/01/03/97/870010397.db2.gz RYZQWUIUUMXHRE-MRXNPFEDSA-N 0 0 405.857 4.090 20 5 HIBDRN COc1ccc(OC(C)C)c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000446051100 870014039 /nfs/dbraw/zinc/01/40/39/870014039.db2.gz IALFMYFJCKMQOH-UHFFFAOYSA-N 0 0 415.265 4.467 20 5 HIBDRN CC1(C)CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@H]1O ZINC000446059610 870020513 /nfs/dbraw/zinc/02/05/13/870020513.db2.gz JKQGYXGVACXDCQ-MOPGFXCFSA-N 0 0 417.893 4.021 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000446082203 870030466 /nfs/dbraw/zinc/03/04/66/870030466.db2.gz PALNVQAUJKKKMA-OCCSQVGLSA-N 0 0 411.277 4.069 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000446085231 870031465 /nfs/dbraw/zinc/03/14/65/870031465.db2.gz MDJXDZMZPMYFNZ-HNNXBMFYSA-N 0 0 410.405 4.112 20 5 HIBDRN O=C(Nc1ccnn1CCc1ccccc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000446088160 870034720 /nfs/dbraw/zinc/03/47/20/870034720.db2.gz DYAZGKKRNFNFJM-UHFFFAOYSA-N 0 0 421.276 4.110 20 5 HIBDRN CC[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000446095210 870041704 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ZINC000446427992 870343944 /nfs/dbraw/zinc/34/39/44/870343944.db2.gz NAJOXDAOKSMLJM-VQIMIIECSA-N 0 0 414.458 4.087 20 5 HIBDRN CC(C)(C)c1noc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])n1 ZINC000446428861 870345699 /nfs/dbraw/zinc/34/56/99/870345699.db2.gz AJOVTEFZDUFDHX-UHFFFAOYSA-N 0 0 424.457 4.426 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cccc(-n2ccnn2)c1 ZINC000446428261 870345882 /nfs/dbraw/zinc/34/58/82/870345882.db2.gz QWZJDMLEUWXFNI-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN O=C(Nc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1)c1ccc(F)cc1 ZINC000446432151 870349210 /nfs/dbraw/zinc/34/92/10/870349210.db2.gz GFMMJWCZZCFORZ-UHFFFAOYSA-N 0 0 419.412 4.185 20 5 HIBDRN O=C(CSC[C@H]1CCCCO1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446432421 870350713 /nfs/dbraw/zinc/35/07/13/870350713.db2.gz WEBBLQBOSGGIGJ-GOSISDBHSA-N 0 0 416.499 4.415 20 5 HIBDRN O=C(COc1ccccc1OCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446435512 870354775 /nfs/dbraw/zinc/35/47/75/870354775.db2.gz AEXRYIKVMUFBHS-UHFFFAOYSA-N 0 0 418.449 4.138 20 5 HIBDRN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446435645 870354941 /nfs/dbraw/zinc/35/49/41/870354941.db2.gz CGZABLQWLFSJCG-AWEZNQCLSA-N 0 0 408.458 4.266 20 5 HIBDRN COCCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000446435898 870355195 /nfs/dbraw/zinc/35/51/95/870355195.db2.gz HKVVDIQCLVISSH-UHFFFAOYSA-N 0 0 422.437 4.451 20 5 HIBDRN O=C([C@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446436597 870356406 /nfs/dbraw/zinc/35/64/06/870356406.db2.gz UDCQXGPHSNFIIL-IRXDYDNUSA-N 0 0 406.360 4.182 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)cc([N+](=O)[O-])c1OC ZINC000446441069 870360120 /nfs/dbraw/zinc/36/01/20/870360120.db2.gz REHAEOUZKNAYKT-LJQANCHMSA-N 0 0 402.422 4.412 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])cc1OC ZINC000446479234 870391885 /nfs/dbraw/zinc/39/18/85/870391885.db2.gz DTDTWMRKVVFNFD-HNNXBMFYSA-N 0 0 413.474 4.093 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000446482795 870394958 /nfs/dbraw/zinc/39/49/58/870394958.db2.gz WSKFQGYQWJKONB-INIZCTEOSA-N 0 0 415.450 4.201 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1C)O[C@@H](C)C2 ZINC000446483431 870396130 /nfs/dbraw/zinc/39/61/30/870396130.db2.gz BUQYAEMHVMFHDA-IYJAJMOOSA-N 0 0 411.458 4.303 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000446483944 870396966 /nfs/dbraw/zinc/39/69/66/870396966.db2.gz GAQPNKNPHGGZCO-INIZCTEOSA-N 0 0 412.494 4.481 20 5 HIBDRN CCO[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1 ZINC000446497119 870412908 /nfs/dbraw/zinc/41/29/08/870412908.db2.gz GZCUABFARYKLTA-NRFANRHFSA-N 0 0 422.431 4.467 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-] ZINC000446548635 870461899 /nfs/dbraw/zinc/46/18/99/870461899.db2.gz QJLNQXILCUHKHA-UHFFFAOYSA-N 0 0 415.496 4.194 20 5 HIBDRN Cc1cc(-c2ncccc2NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000446609253 870512047 /nfs/dbraw/zinc/51/20/47/870512047.db2.gz GPYGRULMPSAVQH-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)CNc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000446643652 870554180 /nfs/dbraw/zinc/55/41/80/870554180.db2.gz HQRNXVCNIGLILL-LJQANCHMSA-N 0 0 413.474 4.004 20 5 HIBDRN Cc1ccc(NC(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1[N+](=O)[O-] ZINC000446713818 870630334 /nfs/dbraw/zinc/63/03/34/870630334.db2.gz AWUZCXPCXBMHBP-KRWDZBQOSA-N 0 0 422.441 4.076 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446844280 870763776 /nfs/dbraw/zinc/76/37/76/870763776.db2.gz SGRGVVDDLXBARO-UHFFFAOYSA-N 0 0 410.865 4.217 20 5 HIBDRN CCC(CC)[C@@H](CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)OC ZINC000446879056 870799007 /nfs/dbraw/zinc/79/90/07/870799007.db2.gz IWPYGQPOLZVCQE-QGZVFWFLSA-N 0 0 408.886 4.047 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCc2c1cccc2-c1ccccc1 ZINC000446899120 870817224 /nfs/dbraw/zinc/81/72/24/870817224.db2.gz PKGZQLRILBZMQS-UHFFFAOYSA-N 0 0 413.437 4.410 20 5 HIBDRN CC[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1c1ccccc1 ZINC000446914725 870831473 /nfs/dbraw/zinc/83/14/73/870831473.db2.gz PKKQILKTFCBWRH-MAUKXSAKSA-N 0 0 407.474 4.196 20 5 HIBDRN Cc1c(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cccc1OCC(F)(F)F ZINC000446921571 870836397 /nfs/dbraw/zinc/83/63/97/870836397.db2.gz SRWPMTZRWZKCHQ-UHFFFAOYSA-N 0 0 409.364 4.435 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000446934503 870845796 /nfs/dbraw/zinc/84/57/96/870845796.db2.gz VEMLWKKDJXNSOP-UHFFFAOYSA-N 0 0 401.271 4.255 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)c(C(F)(F)F)c1 ZINC000446969808 870869272 /nfs/dbraw/zinc/86/92/72/870869272.db2.gz QOFMKOFKOWTXKR-GFCCVEGCSA-N 0 0 406.407 4.201 20 5 HIBDRN Cc1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000446990822 870881065 /nfs/dbraw/zinc/88/10/65/870881065.db2.gz MNHSDLVEZWXEQY-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN CC[C@H](Cc1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447037700 870913925 /nfs/dbraw/zinc/91/39/25/870913925.db2.gz IXSGIALYZUOLLB-CQSZACIVSA-N 0 0 416.421 4.255 20 5 HIBDRN Cc1ccc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c(OCC(F)(F)F)c1 ZINC000447059341 870939757 /nfs/dbraw/zinc/93/97/57/870939757.db2.gz KZWWIAPRJWKYGQ-UHFFFAOYSA-N 0 0 423.391 4.349 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1ccccc1C(F)(F)F ZINC000468486714 882460909 /nfs/dbraw/zinc/46/09/09/882460909.db2.gz DVTFVFAHWRHZJJ-UHFFFAOYSA-N 0 0 403.378 4.375 20 5 HIBDRN CCOc1cc(NC(=O)[C@H]2CCCc3sc(C)nc32)c([N+](=O)[O-])cc1OCC ZINC000447184001 871076377 /nfs/dbraw/zinc/07/63/77/871076377.db2.gz MTAPHRCQKZPGRA-LBPRGKRZSA-N 0 0 405.476 4.216 20 5 HIBDRN CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000468492941 882477285 /nfs/dbraw/zinc/47/72/85/882477285.db2.gz RILDEJRIFSVRDB-OAHLLOKOSA-N 0 0 424.476 4.464 20 5 HIBDRN O=C(CN[C@H](c1ccccc1)c1cccc(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000447341675 871238973 /nfs/dbraw/zinc/23/89/73/871238973.db2.gz POXAQPNCVZKVPO-HSZRJFAPSA-N 0 0 405.429 4.002 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1ccco1)c1ccccn1 ZINC000447346178 871247416 /nfs/dbraw/zinc/24/74/16/871247416.db2.gz BVUWCGGOAIWMBD-UHFFFAOYSA-N 0 0 408.233 4.254 20 5 HIBDRN O=C(CSc1ccc(Br)cc1[N+](=O)[O-])NCc1ccc(Cl)s1 ZINC000447352128 871256516 /nfs/dbraw/zinc/25/65/16/871256516.db2.gz XBSDQZOLAFWCRU-UHFFFAOYSA-N 0 0 421.725 4.481 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Oc2cc(Br)cc(F)c2F)cccc1[N+](=O)[O-] ZINC000447402907 871313620 /nfs/dbraw/zinc/31/36/20/871313620.db2.gz BQGUJUFSATYNMD-SECBINFHSA-N 0 0 415.190 4.350 20 5 HIBDRN Cc1ccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1S(C)(=O)=O ZINC000447556724 871444211 /nfs/dbraw/zinc/44/42/11/871444211.db2.gz HGTPFPVXNSYGHT-QFIPXVFZSA-N 0 0 410.495 4.186 20 5 HIBDRN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2Nc2cnn(-c3ncc(Cl)cc3Cl)c2)n1 ZINC000447591857 871496418 /nfs/dbraw/zinc/49/64/18/871496418.db2.gz FVBWABLFUVBSBZ-LSDHHAIUSA-N 0 0 422.276 4.275 20 5 HIBDRN O=C(NCc1ccccn1)c1cccc(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447593203 871497875 /nfs/dbraw/zinc/49/78/75/871497875.db2.gz QHRSVMDMHXIZBR-QFIPXVFZSA-N 0 0 402.454 4.409 20 5 HIBDRN CC(C)OCCOCc1cccc(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447601563 871506118 /nfs/dbraw/zinc/50/61/18/871506118.db2.gz QIKJBELNNKNEHS-VQTJNVASSA-N 0 0 402.495 4.329 20 5 HIBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1-c1ccccc1Cl ZINC000447627270 871535334 /nfs/dbraw/zinc/53/53/34/871535334.db2.gz VQAJSZHUYMJRDT-UHFFFAOYSA-N 0 0 418.236 4.369 20 5 HIBDRN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000447650618 871575663 /nfs/dbraw/zinc/57/56/63/871575663.db2.gz AAXKUMPWCYBQHL-UHFFFAOYSA-N 0 0 406.776 4.108 20 5 HIBDRN C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000447667508 871597424 /nfs/dbraw/zinc/59/74/24/871597424.db2.gz DYKXFSPNTGSFNW-AWEZNQCLSA-N 0 0 401.426 4.318 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccc2c(c1)OCCCO2 ZINC000447683368 871613765 /nfs/dbraw/zinc/61/37/65/871613765.db2.gz PKFFVISQMUIFFL-UHFFFAOYSA-N 0 0 419.306 4.417 20 5 HIBDRN COc1ccc(OCCN(C)c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 ZINC000447681174 871614630 /nfs/dbraw/zinc/61/46/30/871614630.db2.gz WSXRZISHXFONOA-UHFFFAOYSA-N 0 0 421.322 4.168 20 5 HIBDRN CC(C)NC(=O)[C@H]1CCC[C@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447684522 871617436 /nfs/dbraw/zinc/61/74/36/871617436.db2.gz BIWNCJWMOPVDBR-QWRGUYRKSA-N 0 0 424.370 4.139 20 5 HIBDRN Cn1c(Sc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])nnc1C1CCC1 ZINC000447684413 871617925 /nfs/dbraw/zinc/61/79/25/871617925.db2.gz ZGHFCIQLIDRZBG-UHFFFAOYSA-N 0 0 409.340 4.191 20 5 HIBDRN Cc1nn(C)c(C)c1CCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447692696 871627964 /nfs/dbraw/zinc/62/79/64/871627964.db2.gz HPXQYYXYMFFOOZ-UHFFFAOYSA-N 0 0 407.343 4.039 20 5 HIBDRN Cc1ccc([C@@]2(C)CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)C2)cc1 ZINC000447695947 871636296 /nfs/dbraw/zinc/63/62/96/871636296.db2.gz OMDADLPEFVEYHL-QHCPKHFHSA-N 0 0 405.454 4.020 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000447727695 871674386 /nfs/dbraw/zinc/67/43/86/871674386.db2.gz KATWLPGDAZVZBD-SFHVURJKSA-N 0 0 411.505 4.328 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000447730453 871677888 /nfs/dbraw/zinc/67/78/88/871677888.db2.gz KEYAQNNIBVQKQF-CQSZACIVSA-N 0 0 407.392 4.260 20 5 HIBDRN COc1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c(OCc2cccnc2)c1 ZINC000447748435 871693440 /nfs/dbraw/zinc/69/34/40/871693440.db2.gz WWXXKZFJDLMLGK-UHFFFAOYSA-N 0 0 405.454 4.136 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@@H](CSc2ccccc2)C1 ZINC000447800142 871738348 /nfs/dbraw/zinc/73/83/48/871738348.db2.gz PYMNVIJJTZUSRP-LJQANCHMSA-N 0 0 413.543 4.046 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CCSc2c(F)cccc21 ZINC000447804638 871739632 /nfs/dbraw/zinc/73/96/32/871739632.db2.gz GLNICPHYMGNCST-KRWDZBQOSA-N 0 0 403.479 4.215 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000447804544 871740561 /nfs/dbraw/zinc/74/05/61/871740561.db2.gz FVUMSTVDLSKLEX-GOEBONIOSA-N 0 0 401.429 4.208 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@@H](c1ccccc1)C(F)(F)F ZINC000447814280 871744749 /nfs/dbraw/zinc/74/47/49/871744749.db2.gz XIYQVNCUQKRTJO-KRWDZBQOSA-N 0 0 409.408 4.185 20 5 HIBDRN COCCN(Cc1cncs1)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000447818511 871748174 /nfs/dbraw/zinc/74/81/74/871748174.db2.gz TYZNTFGDKWJMBX-UHFFFAOYSA-N 0 0 423.292 4.015 20 5 HIBDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000447859020 871778706 /nfs/dbraw/zinc/77/87/06/871778706.db2.gz QVEVHPOTGWBCFH-UHFFFAOYSA-N 0 0 406.402 4.070 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000448040534 871873334 /nfs/dbraw/zinc/87/33/34/871873334.db2.gz XHKGOAVXYMUBFC-CQSZACIVSA-N 0 0 414.468 4.114 20 5 HIBDRN O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468534156 882561618 /nfs/dbraw/zinc/56/16/18/882561618.db2.gz BQVYXWRTNJBFSJ-KRWDZBQOSA-N 0 0 409.364 4.061 20 5 HIBDRN O=[N+]([O-])c1ccc(SCc2nc(Cc3cccc(Br)c3)no2)nc1 ZINC000448104362 871950334 /nfs/dbraw/zinc/95/03/34/871950334.db2.gz DYKDPVQCTHDLSU-UHFFFAOYSA-N 0 0 407.249 4.018 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)n(-c2ccccc2)n1 ZINC000448105110 871951839 /nfs/dbraw/zinc/95/18/39/871951839.db2.gz OEWSQUBCYPFOEX-UHFFFAOYSA-N 0 0 411.487 4.204 20 5 HIBDRN Cc1cc(Br)cnc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448190277 872071588 /nfs/dbraw/zinc/07/15/88/872071588.db2.gz PBJJMJUVTIAQAO-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n(-c2ccccc2)n1 ZINC000448231453 872145826 /nfs/dbraw/zinc/14/58/26/872145826.db2.gz SHZXDFQQQGHGJS-ZDUSSCGKSA-N 0 0 413.865 4.495 20 5 HIBDRN COc1cc(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)ccc1[N+](=O)[O-] ZINC000448322372 872257581 /nfs/dbraw/zinc/25/75/81/872257581.db2.gz RCFYLYCZFKNUJE-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000448459698 872414822 /nfs/dbraw/zinc/41/48/22/872414822.db2.gz QNCBYOKLOWUALZ-UHFFFAOYSA-N 0 0 422.363 4.077 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2cc(F)ccc2F)C(F)F)cc1OC ZINC000448459993 872417160 /nfs/dbraw/zinc/41/71/60/872417160.db2.gz UXVPHQVQUUDVLO-MRXNPFEDSA-N 0 0 416.327 4.017 20 5 HIBDRN Cc1ccc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1[N+](=O)[O-] ZINC000468560192 882614219 /nfs/dbraw/zinc/61/42/19/882614219.db2.gz MKVLSLVEJCXXII-KRWDZBQOSA-N 0 0 418.291 4.382 20 5 HIBDRN O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccccc4Br)no3)n2)cc1 ZINC000460140339 872639886 /nfs/dbraw/zinc/63/98/86/872639886.db2.gz BLGYEYYRSZMJRB-UHFFFAOYSA-N 0 0 412.203 4.260 20 5 HIBDRN CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000460163046 872708599 /nfs/dbraw/zinc/70/85/99/872708599.db2.gz BTTVSSIZUMGBSE-PZJWPPBQSA-N 0 0 421.501 4.130 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000460207285 872787935 /nfs/dbraw/zinc/78/79/35/872787935.db2.gz SXOUJCZGAVUQQF-QRWLVFNGSA-N 0 0 407.474 4.469 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000460226701 872811957 /nfs/dbraw/zinc/81/19/57/872811957.db2.gz AGPRDISKRRFOAN-QRWLVFNGSA-N 0 0 407.474 4.469 20 5 HIBDRN COC(C)(C)C[C@@H](C)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000460282569 872870981 /nfs/dbraw/zinc/87/09/81/872870981.db2.gz KGKAYUVHOGAUFR-LLVKDONJSA-N 0 0 409.533 4.444 20 5 HIBDRN CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000460293950 872884384 /nfs/dbraw/zinc/88/43/84/872884384.db2.gz QSCKXMMHXOYZAL-HKUYNNGSSA-N 0 0 413.522 4.294 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000460332775 872939352 /nfs/dbraw/zinc/93/93/52/872939352.db2.gz OJLFNPJLDUAQMN-UHFFFAOYSA-N 0 0 424.423 4.137 20 5 HIBDRN Cc1cnc([C@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000460336533 872944697 /nfs/dbraw/zinc/94/46/97/872944697.db2.gz BKUVRFOJRMAOQZ-LJQANCHMSA-N 0 0 414.531 4.477 20 5 HIBDRN O=C(CCCOc1ccc(F)cc1F)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460347260 872966100 /nfs/dbraw/zinc/96/61/00/872966100.db2.gz BYFDKJVTTKZTOM-LJQANCHMSA-N 0 0 408.426 4.306 20 5 HIBDRN O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460352408 872973193 /nfs/dbraw/zinc/97/31/93/872973193.db2.gz ZIINUGHFZPFECT-KUHUBIRLSA-N 0 0 404.875 4.074 20 5 HIBDRN Cc1csc(N(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C2CC2)n1 ZINC000460370241 873005659 /nfs/dbraw/zinc/00/56/59/873005659.db2.gz PJTSYOLTFVSPHB-UHFFFAOYSA-N 0 0 401.366 4.110 20 5 HIBDRN Cc1csc(N(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000460378912 873018118 /nfs/dbraw/zinc/01/81/18/873018118.db2.gz OUIPGXASIAMOOU-ZDUSSCGKSA-N 0 0 400.504 4.405 20 5 HIBDRN CCc1cc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)nc(C)n1 ZINC000460379616 873019545 /nfs/dbraw/zinc/01/95/45/873019545.db2.gz JAJKDHAXBPMJNI-ZDUSSCGKSA-N 0 0 406.446 4.076 20 5 HIBDRN COc1ccccc1-n1c(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)nc2ccccc21 ZINC000460381297 873023669 /nfs/dbraw/zinc/02/36/69/873023669.db2.gz CHJDRHVXJZMPMS-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN COc1ccccc1-n1c2ccccc2nc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000460400466 873050698 /nfs/dbraw/zinc/05/06/98/873050698.db2.gz MYQRGBLKZUDWHP-UHFFFAOYSA-N 0 0 402.410 4.124 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N(C[C@H]3CCCO3)C3CCCC3)cc2[N+](=O)[O-])C1 ZINC000460447079 873117877 /nfs/dbraw/zinc/11/78/77/873117877.db2.gz DQXUUDMNGGYPRX-YLJYHZDGSA-N 0 0 415.534 4.395 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(C[C@@H]1CCCO1)C1CCCC1 ZINC000460457678 873135516 /nfs/dbraw/zinc/13/55/16/873135516.db2.gz MKOVKNNVMYIDMA-HNNXBMFYSA-N 0 0 416.396 4.100 20 5 HIBDRN COc1cccc(F)c1[C@@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000460461879 873143713 /nfs/dbraw/zinc/14/37/13/873143713.db2.gz MXVRFTMQMAFWHX-LLVKDONJSA-N 0 0 401.419 4.357 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000460462219 873143928 /nfs/dbraw/zinc/14/39/28/873143928.db2.gz OAAJSYDTVOPJDX-UHFFFAOYSA-N 0 0 400.328 4.094 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000460471056 873155722 /nfs/dbraw/zinc/15/57/22/873155722.db2.gz SSIYNESRCGHXBD-IBGZPJMESA-N 0 0 404.510 4.105 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000460470946 873155823 /nfs/dbraw/zinc/15/58/23/873155823.db2.gz WXKYASMJMOEDCJ-GFCCVEGCSA-N 0 0 401.850 4.396 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000460470947 873156044 /nfs/dbraw/zinc/15/60/44/873156044.db2.gz WXKYASMJMOEDCJ-LBPRGKRZSA-N 0 0 401.850 4.396 20 5 HIBDRN COc1cccc(-c2ccc(CNC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])cc2)c1 ZINC000460473340 873158770 /nfs/dbraw/zinc/15/87/70/873158770.db2.gz UGWSMWPRBPEDNJ-UHFFFAOYSA-N 0 0 422.437 4.218 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N(C[C@H]3CCCO3)C3CCCC3)cc2[N+](=O)[O-])CC1 ZINC000460474287 873160660 /nfs/dbraw/zinc/16/06/60/873160660.db2.gz WGMXMFURVHDOKA-HXUWFJFHSA-N 0 0 415.534 4.395 20 5 HIBDRN Cc1cccc(-n2ncc(C(=O)NCCc3ccccc3[N+](=O)[O-])c2C(F)(F)F)c1 ZINC000460485296 873171230 /nfs/dbraw/zinc/17/12/30/873171230.db2.gz DHNOVSGCSCXERF-UHFFFAOYSA-N 0 0 418.375 4.080 20 5 HIBDRN COc1cc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc2n1 ZINC000460493603 873178126 /nfs/dbraw/zinc/17/81/26/873178126.db2.gz RYDZADVURHMDKC-UHFFFAOYSA-N 0 0 423.472 4.028 20 5 HIBDRN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCc3ccccc3[N+](=O)[O-])c12 ZINC000460493074 873178501 /nfs/dbraw/zinc/17/85/01/873178501.db2.gz KZVYKYLSSGVENZ-UHFFFAOYSA-N 0 0 421.501 4.253 20 5 HIBDRN CC(C)(C)Cc1nc(-c2ccc(C(=O)NCCc3ccccc3[N+](=O)[O-])cc2)no1 ZINC000460501444 873186940 /nfs/dbraw/zinc/18/69/40/873186940.db2.gz 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407.474 4.361 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000460846428 873741946 /nfs/dbraw/zinc/74/19/46/873741946.db2.gz CYTLTWJOIWGQFB-LJQANCHMSA-N 0 0 415.877 4.038 20 5 HIBDRN CC(C)Cn1c(CCOc2ccccc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460862616 873766825 /nfs/dbraw/zinc/76/68/25/873766825.db2.gz UYKFCLXURXPMSV-UHFFFAOYSA-N 0 0 421.501 4.027 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCC4(CCOCC4)C3)cc2[N+](=O)[O-])C1 ZINC000461006991 873882449 /nfs/dbraw/zinc/88/24/49/873882449.db2.gz OKRGPDZKLVNWON-ROUUACIJSA-N 0 0 415.534 4.110 20 5 HIBDRN C[C@@H]1CC[C@@H](C)N(C(=O)c2cc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc([N+](=O)[O-])c2)C1 ZINC000461017669 873887198 /nfs/dbraw/zinc/88/71/98/873887198.db2.gz FASXYVCKERYEOL-VQHPVUNQSA-N 0 0 401.507 4.116 20 5 HIBDRN CC(C)(C)C[C@@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 ZINC000461055844 873928529 /nfs/dbraw/zinc/92/85/29/873928529.db2.gz VNNYSDYYOOWLNY-RBUKOAKNSA-N 0 0 413.522 4.437 20 5 HIBDRN 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ZINC000468735303 882835083 /nfs/dbraw/zinc/83/50/83/882835083.db2.gz RZXPHQDKFFQDQH-UHFFFAOYSA-N 0 0 419.441 4.059 20 5 HIBDRN COCC1(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCCCC1 ZINC000461466355 874522686 /nfs/dbraw/zinc/52/26/86/874522686.db2.gz IECMKEKTPDAOCN-UHFFFAOYSA-N 0 0 414.452 4.286 20 5 HIBDRN COc1ncccc1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000461469613 874526303 /nfs/dbraw/zinc/52/63/03/874526303.db2.gz MOCIUELMWXNGTM-UHFFFAOYSA-N 0 0 409.467 4.122 20 5 HIBDRN CCC(C)(C)c1ccc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000468744886 882839683 /nfs/dbraw/zinc/83/96/83/882839683.db2.gz SNDMUNKDCRATDH-UHFFFAOYSA-N 0 0 401.488 4.112 20 5 HIBDRN CCCCOc1ccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1Cl ZINC000468747625 882841557 /nfs/dbraw/zinc/84/15/57/882841557.db2.gz YCKYISQTRGWHIM-UHFFFAOYSA-N 0 0 412.895 4.443 20 5 HIBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000468749726 882842004 /nfs/dbraw/zinc/84/20/04/882842004.db2.gz PPTRJAKARICTSK-LGMDPLHJSA-N 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O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2C[C@@H]2CCCCO2)cc1 ZINC000461820598 874944522 /nfs/dbraw/zinc/94/45/22/874944522.db2.gz FOELDPFTHXXMLL-VDGAXYAQSA-N 0 0 411.506 4.191 20 5 HIBDRN CC(C)Cc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@H]1CCCCO1 ZINC000461823068 874948211 /nfs/dbraw/zinc/94/82/11/874948211.db2.gz GHZGCCCZWRSVRW-LJQANCHMSA-N 0 0 413.522 4.123 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCc4ccccc43)n2C[C@@H]2CCCCO2)c1 ZINC000461855967 875001662 /nfs/dbraw/zinc/00/16/62/875001662.db2.gz AFVZVUKNLSLESM-IBGZPJMESA-N 0 0 405.458 4.117 20 5 HIBDRN COc1ccc(CNC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)cc1[N+](=O)[O-] ZINC000461927288 875066591 /nfs/dbraw/zinc/06/65/91/875066591.db2.gz LCKIIGCUQWMTQN-UHFFFAOYSA-N 0 0 421.331 4.207 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000462065597 875176566 /nfs/dbraw/zinc/17/65/66/875176566.db2.gz DCKOBSFLKVEXHB-HDJSIYSDSA-N 0 0 415.298 4.267 20 5 HIBDRN 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875633313 /nfs/dbraw/zinc/63/33/13/875633313.db2.gz XKKNWZQRCHZVIC-HXUWFJFHSA-N 0 0 403.504 4.064 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000468899230 882949113 /nfs/dbraw/zinc/94/91/13/882949113.db2.gz JBGDQSBVHAHVOM-AWEZNQCLSA-N 0 0 417.512 4.408 20 5 HIBDRN O=C(N[C@@H]1c2ccccc2CC12CCOCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000462539250 875660816 /nfs/dbraw/zinc/66/08/16/875660816.db2.gz VPSYTXDKSBUGPD-JOCHJYFZSA-N 0 0 421.497 4.363 20 5 HIBDRN COCCOCc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000462544195 875667161 /nfs/dbraw/zinc/66/71/61/875667161.db2.gz MZXSLILQRCFDBQ-UHFFFAOYSA-N 0 0 423.263 4.081 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H](C)c2cccc(Br)c2)c(C)c([N+](=O)[O-])c1 ZINC000462548683 875671459 /nfs/dbraw/zinc/67/14/59/875671459.db2.gz KQOYOMKFHBIRIG-SNVBAGLBSA-N 0 0 421.247 4.195 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3Cc4ccc(O)cc4C4(CC4)C3)cc2[N+](=O)[O-])C1 ZINC000462553977 875679543 /nfs/dbraw/zinc/67/95/43/875679543.db2.gz 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CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)CN(C(C)C)CC2 ZINC000462630589 875741142 /nfs/dbraw/zinc/74/11/42/875741142.db2.gz ZOFVDMBSTAXRIE-HNNXBMFYSA-N 0 0 402.520 4.025 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)CC1CCN(c2ccccn2)CC1 ZINC000462632865 875744712 /nfs/dbraw/zinc/74/47/12/875744712.db2.gz TXCPMDRPPNXBFI-NRFANRHFSA-N 0 0 424.545 4.324 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCCn1cccn1 ZINC000462656101 875760900 /nfs/dbraw/zinc/76/09/00/875760900.db2.gz CXEDCBCTOIIHKD-UHFFFAOYSA-N 0 0 421.240 4.429 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CCC(=O)N(CC)CC)CC1 ZINC000462763300 875825862 /nfs/dbraw/zinc/82/58/62/875825862.db2.gz OKPSAULYLQZVIR-HXUWFJFHSA-N 0 0 417.550 4.051 20 5 HIBDRN Cc1ncn(-c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1C ZINC000462766565 875827660 /nfs/dbraw/zinc/82/76/60/875827660.db2.gz VEHHAKYQNKZEDT-AWEZNQCLSA-N 0 0 414.849 4.457 20 5 HIBDRN CNc1c(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)cccc1[N+](=O)[O-] ZINC000462774925 875833367 /nfs/dbraw/zinc/83/33/67/875833367.db2.gz PLNFXCKQIMQAAS-UHFFFAOYSA-N 0 0 414.512 4.328 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000462778220 875834782 /nfs/dbraw/zinc/83/47/82/875834782.db2.gz KJBLKQBSUCVJRG-FXAWDEMLSA-N 0 0 419.485 4.312 20 5 HIBDRN O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c1)c1ccccn1 ZINC000462788112 875839856 /nfs/dbraw/zinc/83/98/56/875839856.db2.gz FJHRMGJQCXASOW-UHFFFAOYSA-N 0 0 414.368 4.456 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1Oc1ncnc2ccc(I)cc21 ZINC000462790053 875841458 /nfs/dbraw/zinc/84/14/58/875841458.db2.gz MWOLNHVHORONAA-UHFFFAOYSA-N 0 0 407.167 4.243 20 5 HIBDRN COc1cc(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] ZINC000462799726 875848621 /nfs/dbraw/zinc/84/86/21/875848621.db2.gz WUWSJQRESITJGU-UHFFFAOYSA-N 0 0 408.458 4.335 20 5 HIBDRN C[C@@H](Nc1nc(N[C@@H](C)c2cccc(O)c2)sc1[N+](=O)[O-])c1cccc(O)c1 ZINC000462806815 875853414 /nfs/dbraw/zinc/85/34/14/875853414.db2.gz XQQOTQUDRYTCPF-NEPJUHHUSA-N 0 0 400.460 4.809 20 5 HIBDRN Cc1cnn([C@@H]2CCCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C2)c1 ZINC000462815166 875857559 /nfs/dbraw/zinc/85/75/59/875857559.db2.gz HADBYDINEKJXKO-CQSZACIVSA-N 0 0 416.279 4.252 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000468912313 882971426 /nfs/dbraw/zinc/97/14/26/882971426.db2.gz IGEKRNSIUOCHIT-QWHCGFSZSA-N 0 0 407.854 4.101 20 5 HIBDRN CC(C)(C(=O)Nc1ccccc1NCc1ccc(Cl)cc1)n1cc([N+](=O)[O-])cn1 ZINC000462836384 875870969 /nfs/dbraw/zinc/87/09/69/875870969.db2.gz CQNNPUBABHPKAC-UHFFFAOYSA-N 0 0 413.865 4.431 20 5 HIBDRN CCOC(=O)c1ccnc(Sc2nnc(-c3ccc(Cl)s3)o2)c1[N+](=O)[O-] ZINC000462858850 875892496 /nfs/dbraw/zinc/89/24/96/875892496.db2.gz YTIQZORXUMRYKJ-UHFFFAOYSA-N 0 0 412.836 4.083 20 5 HIBDRN CCN(C[C@H](C)OC)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000462877340 875905460 /nfs/dbraw/zinc/90/54/60/875905460.db2.gz PTOWAAARMBFCHI-AWEZNQCLSA-N 0 0 405.882 4.357 20 5 HIBDRN O=C1[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCCN1c1ccccc1Cl ZINC000462882633 875910800 /nfs/dbraw/zinc/91/08/00/875910800.db2.gz GDUOYUHCXFPTAM-CYBMUJFWSA-N 0 0 411.792 4.457 20 5 HIBDRN COc1ccc(C[C@H]2CCCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C2)cc1 ZINC000462892835 875917964 /nfs/dbraw/zinc/91/79/64/875917964.db2.gz XQUCAKPYOIAVAY-LJQANCHMSA-N 0 0 423.513 4.299 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000462900830 875926124 /nfs/dbraw/zinc/92/61/24/875926124.db2.gz DWVFPUUMKYWLGP-QGZVFWFLSA-N 0 0 422.485 4.083 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(N3C[C@@H]4[C@H](C3)C4(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000462901711 875928236 /nfs/dbraw/zinc/92/82/36/875928236.db2.gz WXBHSBDCNDUMRB-CALCHBBNSA-N 0 0 415.515 4.105 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000462914524 875939567 /nfs/dbraw/zinc/93/95/67/875939567.db2.gz QZPMVWNWWIRCLC-LPHOPBHVSA-N 0 0 404.850 4.054 20 5 HIBDRN CNc1c(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cccc1[N+](=O)[O-] ZINC000462930437 875957967 /nfs/dbraw/zinc/95/79/67/875957967.db2.gz WACFDGAOUPAQMS-UHFFFAOYSA-N 0 0 415.343 4.306 20 5 HIBDRN CNc1c(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cccc1[N+](=O)[O-] ZINC000462931409 875959539 /nfs/dbraw/zinc/95/95/39/875959539.db2.gz MDGRZWSRRJMXAA-UHFFFAOYSA-N 0 0 416.437 4.092 20 5 HIBDRN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Oc1cccc(Br)c1 ZINC000462934846 875961321 /nfs/dbraw/zinc/96/13/21/875961321.db2.gz FGEZHARATBLYNI-LLVKDONJSA-N 0 0 420.263 4.121 20 5 HIBDRN Cc1nc(-c2ccccn2)nc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000462948383 875967032 /nfs/dbraw/zinc/96/70/32/875967032.db2.gz STOLMOBEYMRDBG-UHFFFAOYSA-N 0 0 405.458 4.111 20 5 HIBDRN CNc1c(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000462988425 876003392 /nfs/dbraw/zinc/00/33/92/876003392.db2.gz JHXCMEIAIOIAMZ-UHFFFAOYSA-N 0 0 419.441 4.211 20 5 HIBDRN CNc1c(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000462995549 876009384 /nfs/dbraw/zinc/00/93/84/876009384.db2.gz RCJMFHPHWVEIKH-LJAQVGFWSA-N 0 0 409.467 4.197 20 5 HIBDRN COc1cc(S(=O)(=O)N(Cc2cccs2)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000468925393 882986638 /nfs/dbraw/zinc/98/66/38/882986638.db2.gz LHGOZZUMDLXNFG-UHFFFAOYSA-N 0 0 422.459 4.200 20 5 HIBDRN Cc1cc(Oc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)n[nH]1 ZINC000468925733 882987047 /nfs/dbraw/zinc/98/70/47/882987047.db2.gz IQVROWYKMIHHHV-UHFFFAOYSA-N 0 0 407.430 4.271 20 5 HIBDRN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000463043765 876070761 /nfs/dbraw/zinc/07/07/61/876070761.db2.gz LMSGJHNMIHPKNN-CABCVRRESA-N 0 0 411.483 4.337 20 5 HIBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCc1nc(C(F)(F)F)cs1 ZINC000463058072 876086796 /nfs/dbraw/zinc/08/67/96/876086796.db2.gz WIOQYEHDVBSNGD-UHFFFAOYSA-N 0 0 407.345 4.041 20 5 HIBDRN C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000463075780 876107563 /nfs/dbraw/zinc/10/75/63/876107563.db2.gz RBFKGHOGZIPRJT-ZDUSSCGKSA-N 0 0 414.849 4.092 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000463088217 876119261 /nfs/dbraw/zinc/11/92/61/876119261.db2.gz SKLOUTCKIYZJHC-UHFFFAOYSA-N 0 0 412.364 4.341 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000463137288 876186889 /nfs/dbraw/zinc/18/68/89/876186889.db2.gz PUYWXWWWZPJIOM-UHFFFAOYSA-N 0 0 418.384 4.381 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(CCCc4ccccc4)o3)o2)cc1 ZINC000463227490 876284787 /nfs/dbraw/zinc/28/47/87/876284787.db2.gz BDRQCXXVZAXYJK-UHFFFAOYSA-N 0 0 423.454 4.495 20 5 HIBDRN O=C1[C@H](Sc2nnc(CCCc3ccccc3)o2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000463239440 876295821 /nfs/dbraw/zinc/29/58/21/876295821.db2.gz WOWJURZGSSGQLL-GOSISDBHSA-N 0 0 424.482 4.051 20 5 HIBDRN COc1ccc(CNc2cnc3n[nH]c(C)c3c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000463251356 876307331 /nfs/dbraw/zinc/30/73/31/876307331.db2.gz VBENYJXINWYJBQ-UHFFFAOYSA-N 0 0 419.441 4.374 20 5 HIBDRN O=C(NCc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463312943 876371523 /nfs/dbraw/zinc/37/15/23/876371523.db2.gz IRFJQTLXXXDYER-UHFFFAOYSA-N 0 0 403.154 4.306 20 5 HIBDRN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463363597 876417811 /nfs/dbraw/zinc/41/78/11/876417811.db2.gz YWNOXZXNQLHONJ-UHFFFAOYSA-N 0 0 422.281 4.485 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2cc(Cl)c(C)cc2Br)c1[N+](=O)[O-] ZINC000463367705 876421630 /nfs/dbraw/zinc/42/16/30/876421630.db2.gz LZKMYIRPQCUPOF-UHFFFAOYSA-N 0 0 401.648 4.247 20 5 HIBDRN COc1cc(CSc2nnc(COc3cccc(C)c3)o2)c([N+](=O)[O-])cc1F ZINC000463392053 876446747 /nfs/dbraw/zinc/44/67/47/876446747.db2.gz NFUSSFRFVWJHNJ-UHFFFAOYSA-N 0 0 405.407 4.305 20 5 HIBDRN COc1cc(CSc2n[nH]c(COc3ccc(Cl)cc3)n2)c([N+](=O)[O-])cc1F ZINC000463408033 876462057 /nfs/dbraw/zinc/46/20/57/876462057.db2.gz AJQPZBVHOYXJJG-UHFFFAOYSA-N 0 0 424.841 4.385 20 5 HIBDRN CCN(C[C@H](C)OC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000463427575 876482235 /nfs/dbraw/zinc/48/22/35/876482235.db2.gz GKFJXQVIZYUINO-LIRRHRJNSA-N 0 0 405.882 4.285 20 5 HIBDRN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463431793 876488063 /nfs/dbraw/zinc/48/80/63/876488063.db2.gz UVZMIYBTRHDXRC-UHFFFAOYSA-N 0 0 407.392 4.486 20 5 HIBDRN Cc1cccc(S(=O)(=O)CCCOc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000463441659 876498939 /nfs/dbraw/zinc/49/89/39/876498939.db2.gz DQZHSPKKZWZQLN-UHFFFAOYSA-N 0 0 403.378 4.165 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000463445563 876504991 /nfs/dbraw/zinc/50/49/91/876504991.db2.gz VHTMIZWTVPMOIV-UHFFFAOYSA-N 0 0 406.794 4.267 20 5 HIBDRN CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463455149 876515730 /nfs/dbraw/zinc/51/57/30/876515730.db2.gz PBBVXVSFLQPFOY-UHFFFAOYSA-N 0 0 402.756 4.418 20 5 HIBDRN CC[C@H](NC(=O)NC[C@H]1CCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000463513760 876578368 /nfs/dbraw/zinc/57/83/68/876578368.db2.gz JMGRMHCQZUKOPC-BEFAXECRSA-N 0 0 400.454 4.011 20 5 HIBDRN Cc1cc(NC(=O)COc2cc(Cl)cc(Cl)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463552202 876638055 /nfs/dbraw/zinc/63/80/55/876638055.db2.gz SLONAYXPJHZTDE-UHFFFAOYSA-N 0 0 421.240 4.413 20 5 HIBDRN O=C(NCCc1ccccc1Br)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463573867 876669524 /nfs/dbraw/zinc/66/95/24/876669524.db2.gz KUIMNRQXMLZMDP-UHFFFAOYSA-N 0 0 417.181 4.349 20 5 HIBDRN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c2ccccc2S1 ZINC000463785134 876904368 /nfs/dbraw/zinc/90/43/68/876904368.db2.gz YKSKBSCOQPOLEB-UHFFFAOYSA-N 0 0 415.496 4.223 20 5 HIBDRN CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000463843825 876966649 /nfs/dbraw/zinc/96/66/49/876966649.db2.gz GCGIENAREQSZRW-DEOSSOPVSA-N 0 0 418.497 4.373 20 5 HIBDRN O=C(NCCCOc1cccc2cccnc21)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463881613 877001637 /nfs/dbraw/zinc/00/16/37/877001637.db2.gz VPZYKLAITUSSSH-UHFFFAOYSA-N 0 0 419.359 4.361 20 5 HIBDRN C[C@H](O)C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000469018989 883086253 /nfs/dbraw/zinc/08/62/53/883086253.db2.gz OTCUVJMNLYHDJC-YOEHRIQHSA-N 0 0 411.483 4.003 20 5 HIBDRN CC[C@H](C)C[C@H](C)NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000463898192 877019708 /nfs/dbraw/zinc/01/97/08/877019708.db2.gz TYZFRVWBOSOCGX-STQMWFEESA-N 0 0 407.492 4.193 20 5 HIBDRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000463926184 877046458 /nfs/dbraw/zinc/04/64/58/877046458.db2.gz OSUUIVQMORONRR-LJQANCHMSA-N 0 0 423.513 4.056 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000463927461 877048385 /nfs/dbraw/zinc/04/83/85/877048385.db2.gz UVRYGWUZGDLUPF-UHFFFAOYSA-N 0 0 400.866 4.281 20 5 HIBDRN COc1cccc([C@@H](C)N2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)c1 ZINC000463948868 877069227 /nfs/dbraw/zinc/06/92/27/877069227.db2.gz JSIXBTSXASKABM-QGZVFWFLSA-N 0 0 412.490 4.131 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000463947953 877070041 /nfs/dbraw/zinc/07/00/41/877070041.db2.gz FIEBBTZBBLPZBO-CTNGQTDRSA-N 0 0 405.458 4.458 20 5 HIBDRN O=C(c1cccc2c1CC(=O)CC2)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000463957832 877082140 /nfs/dbraw/zinc/08/21/40/877082140.db2.gz GYPJGFOEZLHSAR-UHFFFAOYSA-N 0 0 400.434 4.500 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(OC[C@@H]2CCCO2)c1 ZINC000463958845 877083415 /nfs/dbraw/zinc/08/34/15/877083415.db2.gz NTEKQRDICUCTOI-SFHVURJKSA-N 0 0 413.474 4.400 20 5 HIBDRN COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000463997529 877133844 /nfs/dbraw/zinc/13/38/44/877133844.db2.gz MPKGCCSDMRNVIX-UHFFFAOYSA-N 0 0 410.348 4.317 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc([S@](C)=O)cc3)cc2[N+](=O)[O-])C1 ZINC000464007018 877142775 /nfs/dbraw/zinc/14/27/75/877142775.db2.gz OSESKRDHMJFJBM-YPLATFLCSA-N 0 0 415.515 4.067 20 5 HIBDRN C[S@](=O)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000464012422 877147777 /nfs/dbraw/zinc/14/77/77/877147777.db2.gz MRSDYNDOCPFDEH-MHZLTWQESA-N 0 0 418.418 4.082 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000464015812 877150593 /nfs/dbraw/zinc/15/05/93/877150593.db2.gz ZAEAFYOMZXCVNS-GFCCVEGCSA-N 0 0 409.364 4.046 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC(c1cccs1)c1cccs1 ZINC000464023594 877159287 /nfs/dbraw/zinc/15/92/87/877159287.db2.gz FDDMJEAVGKQUPV-UHFFFAOYSA-N 0 0 415.496 4.179 20 5 HIBDRN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000464038545 877177589 /nfs/dbraw/zinc/17/75/89/877177589.db2.gz BDBNWLSSVDEAAR-RBBKRZOGSA-N 0 0 404.470 4.497 20 5 HIBDRN Cc1c(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000464040958 877179758 /nfs/dbraw/zinc/17/97/58/877179758.db2.gz OXQWFOQUYXBRAG-RTWAWAEBSA-N 0 0 419.485 4.201 20 5 HIBDRN COc1cc(CNc2cccc3c2CN(c2nccs2)C3)c([N+](=O)[O-])cc1F ZINC000464078044 877228675 /nfs/dbraw/zinc/22/86/75/877228675.db2.gz SVJCAOAJSXMRLV-UHFFFAOYSA-N 0 0 400.435 4.331 20 5 HIBDRN CCc1cnc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 ZINC000464126711 877283901 /nfs/dbraw/zinc/28/39/01/877283901.db2.gz RLWZTBRTBNZSQW-ZDUSSCGKSA-N 0 0 411.487 4.112 20 5 HIBDRN COc1cc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])ccc1OC(C)C ZINC000464229044 877404452 /nfs/dbraw/zinc/40/44/52/877404452.db2.gz MFEOBLNQCGTOEN-UHFFFAOYSA-N 0 0 406.460 4.373 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000464238512 877414586 /nfs/dbraw/zinc/41/45/86/877414586.db2.gz VYGOHZJIJIMSBL-NSHDSACASA-N 0 0 423.311 4.037 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000464348396 877540468 /nfs/dbraw/zinc/54/04/68/877540468.db2.gz BIBSDCBMRSQIJR-INIZCTEOSA-N 0 0 408.483 4.035 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3nc4ccc(F)cc4n3C)cc2[N+](=O)[O-])C1 ZINC000464431201 877643963 /nfs/dbraw/zinc/64/39/63/877643963.db2.gz SIVMLDTZGXKHPY-CYBMUJFWSA-N 0 0 411.437 4.109 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)c(OC)c1 ZINC000464450411 877667942 /nfs/dbraw/zinc/66/79/42/877667942.db2.gz WKEPYLUKCCSCKI-UHFFFAOYSA-N 0 0 420.487 4.381 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000464459171 877679363 /nfs/dbraw/zinc/67/93/63/877679363.db2.gz FLWCMDHJKZDZBS-ZDUSSCGKSA-N 0 0 412.467 4.054 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000464462531 877685048 /nfs/dbraw/zinc/68/50/48/877685048.db2.gz SINSEQPPRVGVKZ-INIZCTEOSA-N 0 0 416.525 4.292 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1OC)CCC(=O)N2 ZINC000464466909 877688555 /nfs/dbraw/zinc/68/85/55/877688555.db2.gz MFIWDZRVCARKIT-UHFFFAOYSA-N 0 0 415.471 4.243 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)c(C)c([N+](=O)[O-])c1 ZINC000464481869 877701408 /nfs/dbraw/zinc/70/14/08/877701408.db2.gz NQEKQUZNRUQABG-UHFFFAOYSA-N 0 0 418.274 4.239 20 5 HIBDRN COc1ccc([C@@H](C)NCc2cc(OC)c(F)cc2[N+](=O)[O-])cc1Br ZINC000464485013 877705577 /nfs/dbraw/zinc/70/55/77/877705577.db2.gz DIXBACYGQSOBSC-SNVBAGLBSA-N 0 0 413.243 4.364 20 5 HIBDRN COc1cc(CN[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c([N+](=O)[O-])cc1F ZINC000464495109 877714752 /nfs/dbraw/zinc/71/47/52/877714752.db2.gz QUYURLCNMSEVSX-LLVKDONJSA-N 0 0 404.373 4.091 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)cc2[N+](=O)[O-])C1 ZINC000464506174 877730753 /nfs/dbraw/zinc/73/07/53/877730753.db2.gz CQUIHQNJEGBXNF-ZIAGYGMSSA-N 0 0 413.440 4.492 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccccc2S(=O)(=O)C2CCCC2)c1[N+](=O)[O-] ZINC000464566216 877785122 /nfs/dbraw/zinc/78/51/22/877785122.db2.gz CHMLZURVQWJMNK-UHFFFAOYSA-N 0 0 420.512 4.285 20 5 HIBDRN CO[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000464586083 877811168 /nfs/dbraw/zinc/81/11/68/877811168.db2.gz OUIGWEWVDTXQOH-HNNXBMFYSA-N 0 0 402.756 4.385 20 5 HIBDRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000464597505 877824083 /nfs/dbraw/zinc/82/40/83/877824083.db2.gz IAISZDOINXYHSO-SFHVURJKSA-N 0 0 402.878 4.421 20 5 HIBDRN Cc1cc(C2CC2)nc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1 ZINC000464601475 877830562 /nfs/dbraw/zinc/83/05/62/877830562.db2.gz ZPOHMCWBXLHGOI-UHFFFAOYSA-N 0 0 403.442 4.435 20 5 HIBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000464604971 877835007 /nfs/dbraw/zinc/83/50/07/877835007.db2.gz SOPBAQJKJHVNNP-OCCSQVGLSA-N 0 0 423.229 4.479 20 5 HIBDRN COc1ccccc1C[C@H](C)CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464629658 877847623 /nfs/dbraw/zinc/84/76/23/877847623.db2.gz KXGZKYGPIHUYEK-KRWDZBQOSA-N 0 0 412.486 4.242 20 5 HIBDRN O=C(CSc1ccc2c(c1)CCC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464632105 877848829 /nfs/dbraw/zinc/84/88/29/877848829.db2.gz VUMQEENUNGCLOF-UHFFFAOYSA-N 0 0 412.511 4.246 20 5 HIBDRN C[C@H](CC(=O)c1ccccc1F)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464631880 877849103 /nfs/dbraw/zinc/84/91/03/877849103.db2.gz OJNOOIRKHNJJLZ-OAHLLOKOSA-N 0 0 414.433 4.013 20 5 HIBDRN O=C(c1cc(Br)cs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464633850 877851178 /nfs/dbraw/zinc/85/11/78/877851178.db2.gz YHXIPEPCNQTREG-UHFFFAOYSA-N 0 0 411.277 4.102 20 5 HIBDRN COc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1OC(C)C ZINC000464635022 877852979 /nfs/dbraw/zinc/85/29/79/877852979.db2.gz BLMOBLHHSXHAPL-UHFFFAOYSA-N 0 0 414.458 4.074 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464637562 877855546 /nfs/dbraw/zinc/85/55/46/877855546.db2.gz ODAXIBNKZBBJHB-IEBWSBKVSA-N 0 0 402.397 4.047 20 5 HIBDRN COc1cc(COc2cccc(-n3cccn3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000503300402 912282166 /nfs/dbraw/zinc/28/21/66/912282166.db2.gz DNMNECDPYPABQU-UHFFFAOYSA-N 0 0 405.357 4.012 20 5 HIBDRN COc1ccc(CCCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464642419 877860807 /nfs/dbraw/zinc/86/08/07/877860807.db2.gz HYJAVMRGDJVCHJ-UHFFFAOYSA-N 0 0 412.486 4.386 20 5 HIBDRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000464652159 877872342 /nfs/dbraw/zinc/87/23/42/877872342.db2.gz YHYPCYCLRVBWTQ-LJQANCHMSA-N 0 0 407.470 4.248 20 5 HIBDRN Cc1nc(-c2ccco2)ccc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464658508 877880068 /nfs/dbraw/zinc/88/00/68/877880068.db2.gz CKUQGJOBEGOJSL-UHFFFAOYSA-N 0 0 407.426 4.242 20 5 HIBDRN Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464659402 877880949 /nfs/dbraw/zinc/88/09/49/877880949.db2.gz FKPLQOLLUKTTEV-UHFFFAOYSA-N 0 0 421.453 4.171 20 5 HIBDRN CC(C)c1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n(-c2ccccc2)n1 ZINC000464662903 877883432 /nfs/dbraw/zinc/88/34/32/877883432.db2.gz MYOVDZGBIUPQND-UHFFFAOYSA-N 0 0 416.441 4.342 20 5 HIBDRN CC(C)Oc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000464665022 877885333 /nfs/dbraw/zinc/88/53/33/877885333.db2.gz CJGRTSFGPPWYNN-UHFFFAOYSA-N 0 0 400.822 4.473 20 5 HIBDRN Cc1c(C(=O)N2CCOc3c(Cl)cc(Br)cc32)cccc1[N+](=O)[O-] ZINC000464669660 877889540 /nfs/dbraw/zinc/88/95/40/877889540.db2.gz NWTSWAUIEGZNQX-UHFFFAOYSA-N 0 0 411.639 4.358 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000464669826 877889724 /nfs/dbraw/zinc/88/97/24/877889724.db2.gz PEKJDNHBBDBMMA-MRXNPFEDSA-N 0 0 417.918 4.004 20 5 HIBDRN COc1cc(CN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000464683601 877898545 /nfs/dbraw/zinc/89/85/45/877898545.db2.gz NANMBSGVTNLUKD-OAQYLSRUSA-N 0 0 409.417 4.212 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCOC[C@@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000464700296 877918093 /nfs/dbraw/zinc/91/80/93/877918093.db2.gz BRJTZXKBNFEHMJ-HTAPYJJXSA-N 0 0 409.486 4.045 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000464704818 877927169 /nfs/dbraw/zinc/92/71/69/877927169.db2.gz NJBBLLUNKWIDBR-LAUBAEHRSA-N 0 0 400.500 4.279 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000464708645 877930556 /nfs/dbraw/zinc/93/05/56/877930556.db2.gz HWZQNTMLQOLDDV-JTQLQIEISA-N 0 0 411.227 4.465 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000464708693 877930573 /nfs/dbraw/zinc/93/05/73/877930573.db2.gz IFDCSBBVLRHPCH-AWEZNQCLSA-N 0 0 422.407 4.426 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)CC ZINC000464709574 877932794 /nfs/dbraw/zinc/93/27/94/877932794.db2.gz KBGLIBQMWBFBPN-BTYIYWSLSA-N 0 0 409.486 4.095 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000464722442 877951232 /nfs/dbraw/zinc/95/12/32/877951232.db2.gz GBPCLPCYVKBOFB-AUUYWEPGSA-N 0 0 419.840 4.108 20 5 HIBDRN COc1ccc(OC(F)F)c(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000464753915 877991175 /nfs/dbraw/zinc/99/11/75/877991175.db2.gz ROSVBNNSRMUJIL-GFCCVEGCSA-N 0 0 409.389 4.074 20 5 HIBDRN CCOc1ccc(NC(=O)CN2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000464765973 878008144 /nfs/dbraw/zinc/00/81/44/878008144.db2.gz BCDHKBNMJXAPKC-MRXNPFEDSA-N 0 0 415.515 4.046 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000464900019 878207439 /nfs/dbraw/zinc/20/74/39/878207439.db2.gz LBXWGBFDWFXGHL-CVDCTZTESA-N 0 0 407.470 4.142 20 5 HIBDRN O=C(Nc1ccc(F)cc1)c1nnc(COc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000464906870 878221984 /nfs/dbraw/zinc/22/19/84/878221984.db2.gz XYXMYSQQRYSBMP-UHFFFAOYSA-N 0 0 408.798 4.070 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000464927714 878253311 /nfs/dbraw/zinc/25/33/11/878253311.db2.gz SMSUKSXTCNTXPL-UHFFFAOYSA-N 0 0 401.410 4.340 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(Br)c2)cc1OC ZINC000464961071 878300736 /nfs/dbraw/zinc/30/07/36/878300736.db2.gz OWDLCUZVHDTZEW-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000464994544 878348416 /nfs/dbraw/zinc/34/84/16/878348416.db2.gz COYYZGCJBWFHHG-AWEZNQCLSA-N 0 0 402.447 4.028 20 5 HIBDRN COC(=O)c1cc(O[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)ccc1[N+](=O)[O-] ZINC000465015384 878376584 /nfs/dbraw/zinc/37/65/84/878376584.db2.gz FPTZLJNPXKHZKP-LLVKDONJSA-N 0 0 401.350 4.019 20 5 HIBDRN O=C(c1cc(NCCc2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-])N1CCCC1 ZINC000465051294 878414830 /nfs/dbraw/zinc/41/48/30/878414830.db2.gz PLTHNEIKXVQIMP-UHFFFAOYSA-N 0 0 423.391 4.384 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000465055634 878417380 /nfs/dbraw/zinc/41/73/80/878417380.db2.gz MKXZCCZFGDSWCU-UHFFFAOYSA-N 0 0 416.739 4.219 20 5 HIBDRN NC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2OC(F)F)c([N+](=O)[O-])c1 ZINC000465055224 878417889 /nfs/dbraw/zinc/41/78/89/878417889.db2.gz DQRCFXZFIWRUKP-UHFFFAOYSA-N 0 0 406.172 4.214 20 5 HIBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000465083745 878444832 /nfs/dbraw/zinc/44/48/32/878444832.db2.gz LFQSQTKRLHRJHY-GASCZTMLSA-N 0 0 411.424 4.089 20 5 HIBDRN CSc1cc(C)ccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000465102554 878474747 /nfs/dbraw/zinc/47/47/47/878474747.db2.gz LXHCUEOEULTCCY-UHFFFAOYSA-N 0 0 409.305 4.247 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1nc(/C=C/c2ccccc2)cs1 ZINC000465117114 878496691 /nfs/dbraw/zinc/49/66/91/878496691.db2.gz ARTLXPUJQLQODZ-VOTSOKGWSA-N 0 0 423.450 4.174 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1nc2ccccc2n1C1CCCC1 ZINC000465131506 878513074 /nfs/dbraw/zinc/51/30/74/878513074.db2.gz AXEBRNSDYYXWPF-UHFFFAOYSA-N 0 0 422.441 4.012 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1ccc(Oc2ccccc2)cc1 ZINC000465166694 878548776 /nfs/dbraw/zinc/54/87/76/878548776.db2.gz OIVZFSVCBNXPAA-UHFFFAOYSA-N 0 0 420.421 4.017 20 5 HIBDRN Cc1ccc(-c2nc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)co2)cc1 ZINC000465188033 878582511 /nfs/dbraw/zinc/58/25/11/878582511.db2.gz SIQQBBLPTQVCKB-UHFFFAOYSA-N 0 0 423.472 4.435 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000465204098 878611912 /nfs/dbraw/zinc/61/19/12/878611912.db2.gz FVWWSIBIBSXJQV-ZIAGYGMSSA-N 0 0 414.849 4.079 20 5 HIBDRN CC(C)(C)OC(=O)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000465280995 878717691 /nfs/dbraw/zinc/71/76/91/878717691.db2.gz SDGBAJLYMGZKQL-UHFFFAOYSA-N 0 0 400.431 4.239 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(OCCC(C)C)cc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000465339473 878776660 /nfs/dbraw/zinc/77/66/60/878776660.db2.gz FUZBMBKZLOUMEV-UHFFFAOYSA-N 0 0 409.446 4.161 20 5 HIBDRN Cc1nc(C)c(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 ZINC000465401572 878838101 /nfs/dbraw/zinc/83/81/01/878838101.db2.gz YJOQWTVBDXFIHF-UHFFFAOYSA-N 0 0 412.258 4.413 20 5 HIBDRN CCCOc1ccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000465518248 878966489 /nfs/dbraw/zinc/96/64/89/878966489.db2.gz PALVXOLXTNYFMI-UHFFFAOYSA-N 0 0 413.474 4.137 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000503422667 912414571 /nfs/dbraw/zinc/41/45/71/912414571.db2.gz QUVDYODXZDSKPS-OAHLLOKOSA-N 0 0 415.515 4.114 20 5 HIBDRN C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000465618692 879122460 /nfs/dbraw/zinc/12/24/60/879122460.db2.gz LDARSJPYKNTGJH-SNVBAGLBSA-N 0 0 415.298 4.429 20 5 HIBDRN C[C@@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000465644259 879163277 /nfs/dbraw/zinc/16/32/77/879163277.db2.gz ZBSIPEUDWMJYJH-ZBFHGGJFSA-N 0 0 402.882 4.277 20 5 HIBDRN O=C(NCc1cc(-c2ccccc2)no1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465670212 879206012 /nfs/dbraw/zinc/20/60/12/879206012.db2.gz TWQVRECZRFABKV-UHFFFAOYSA-N 0 0 422.441 4.003 20 5 HIBDRN COc1ccc(CNC(=O)N(C)[C@@H](Cc2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000465722951 879298217 /nfs/dbraw/zinc/29/82/17/879298217.db2.gz REIDLCJURFSPLE-SFHVURJKSA-N 0 0 403.454 4.151 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000465767247 879366416 /nfs/dbraw/zinc/36/64/16/879366416.db2.gz ZEZSHQJRZVVAHK-UHFFFAOYSA-N 0 0 409.486 4.227 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000465771789 879372869 /nfs/dbraw/zinc/37/28/69/879372869.db2.gz WIJDMQCEIKECPG-UHFFFAOYSA-N 0 0 424.501 4.156 20 5 HIBDRN O=C(N[C@@H]1CCCOc2ccccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465809777 879426653 /nfs/dbraw/zinc/42/66/53/879426653.db2.gz JUQSTCUGVYWYPK-HXUWFJFHSA-N 0 0 411.458 4.062 20 5 HIBDRN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000466037644 879727355 /nfs/dbraw/zinc/72/73/55/879727355.db2.gz CJFJXCIQFUQJTI-APWZRJJASA-N 0 0 407.373 4.057 20 5 HIBDRN O=C(NCc1coc(-c2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000466063551 879760418 /nfs/dbraw/zinc/76/04/18/879760418.db2.gz CUDXAQACDKOERV-UHFFFAOYSA-N 0 0 404.329 4.173 20 5 HIBDRN CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000466149724 879857472 /nfs/dbraw/zinc/85/74/72/879857472.db2.gz UYWUQLOKNXJBDW-UHFFFAOYSA-N 0 0 424.270 4.271 20 5 HIBDRN CCOc1cc(NC(=O)NC[C@@H](C)Oc2ccc(F)cc2)c([N+](=O)[O-])cc1OCC ZINC000466194406 879886820 /nfs/dbraw/zinc/88/68/20/879886820.db2.gz LOSZHOOXABHGKY-CYBMUJFWSA-N 0 0 421.425 4.120 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](C)CCc2ccc(C)o2)c([N+](=O)[O-])cc1OCC ZINC000466199326 879891504 /nfs/dbraw/zinc/89/15/04/879891504.db2.gz LANQUNDNTXQQLP-CYBMUJFWSA-N 0 0 405.451 4.436 20 5 HIBDRN COc1ccc(C(C)(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000466250794 879971287 /nfs/dbraw/zinc/97/12/87/879971287.db2.gz ZEQXWIUBLDTDGJ-UHFFFAOYSA-N 0 0 400.475 4.029 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cn1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466274024 880010836 /nfs/dbraw/zinc/01/08/36/880010836.db2.gz OZJRVBVZGDNZLR-UHFFFAOYSA-N 0 0 405.785 4.071 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000466286499 880030172 /nfs/dbraw/zinc/03/01/72/880030172.db2.gz GHNJEAWSIHFOJC-MRXNPFEDSA-N 0 0 408.227 4.177 20 5 HIBDRN O=C(Cc1csc(-c2cccc(F)c2)n1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466296825 880042736 /nfs/dbraw/zinc/04/27/36/880042736.db2.gz IRONLKHBIQTERH-UHFFFAOYSA-N 0 0 405.838 4.370 20 5 HIBDRN Cc1cn(-c2ccccc2Cl)nc1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466301141 880049402 /nfs/dbraw/zinc/04/94/02/880049402.db2.gz ZCBPXWJHJRKFKQ-UHFFFAOYSA-N 0 0 405.241 4.326 20 5 HIBDRN CN(C(=O)Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000466319038 880073065 /nfs/dbraw/zinc/07/30/65/880073065.db2.gz CYHHTMPPTCXMNS-UHFFFAOYSA-N 0 0 407.401 4.192 20 5 HIBDRN CO[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(Cl)c1 ZINC000466357022 880115451 /nfs/dbraw/zinc/11/54/51/880115451.db2.gz KXYDALROWCSLQL-HNNXBMFYSA-N 0 0 415.780 4.359 20 5 HIBDRN COc1ccc(-c2cncc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)c2)cc1 ZINC000466394508 880157885 /nfs/dbraw/zinc/15/78/85/880157885.db2.gz CERCWQODWUWNOA-UHFFFAOYSA-N 0 0 421.409 4.079 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cc2cc(Br)ccc2[nH]1 ZINC000466408093 880175502 /nfs/dbraw/zinc/17/55/02/880175502.db2.gz RGYFYOGXHUDHKU-UHFFFAOYSA-N 0 0 422.666 4.351 20 5 HIBDRN O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000466442095 880216783 /nfs/dbraw/zinc/21/67/83/880216783.db2.gz TXXHYVXXIWWZEL-UHFFFAOYSA-N 0 0 422.872 4.273 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000466466258 880248784 /nfs/dbraw/zinc/24/87/84/880248784.db2.gz PGPWNVZVTSWFQY-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN COc1cc(Br)c(CNCc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000466469767 880252428 /nfs/dbraw/zinc/25/24/28/880252428.db2.gz WSQCKAOGLXZLFZ-UHFFFAOYSA-N 0 0 415.671 4.318 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccnc1OCc1ccccc1F ZINC000466496838 880272817 /nfs/dbraw/zinc/27/28/17/880272817.db2.gz MDUDLSKNLQBTFS-UHFFFAOYSA-N 0 0 411.389 4.359 20 5 HIBDRN CCCCCn1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)c2ccccc2c1=O ZINC000466500003 880275348 /nfs/dbraw/zinc/27/53/48/880275348.db2.gz RPIBFOUQPGXVMN-UHFFFAOYSA-N 0 0 424.457 4.146 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1SCc1nc(C)no1 ZINC000466509080 880283557 /nfs/dbraw/zinc/28/35/57/880283557.db2.gz VHADYLVLIMDTSP-UHFFFAOYSA-N 0 0 414.443 4.230 20 5 HIBDRN CC(C)N(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1Cl ZINC000466538838 880313997 /nfs/dbraw/zinc/31/39/97/880313997.db2.gz IYCBBBRIRDVHLU-UHFFFAOYSA-N 0 0 408.813 4.143 20 5 HIBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H](Cc2ccccc2)c2cccs2)cc1 ZINC000503504237 912554537 /nfs/dbraw/zinc/55/45/37/912554537.db2.gz JCOHDJGCHKREIL-LJQANCHMSA-N 0 0 416.524 4.102 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000466568636 880344996 /nfs/dbraw/zinc/34/49/96/880344996.db2.gz YZVNTQKXWAIPBM-GFCCVEGCSA-N 0 0 407.854 4.216 20 5 HIBDRN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC[C@@H]2CCCO2)c1 ZINC000466650611 880425952 /nfs/dbraw/zinc/42/59/52/880425952.db2.gz WGERVBNFOFCAHH-INIZCTEOSA-N 0 0 404.850 4.044 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC000466742832 880525248 /nfs/dbraw/zinc/52/52/48/880525248.db2.gz HGHLDHCLBCJUKT-ZDUSSCGKSA-N 0 0 420.874 4.035 20 5 HIBDRN CN(CCCOCc1ccccc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000466747383 880528444 /nfs/dbraw/zinc/52/84/44/880528444.db2.gz ILBFCQYRPQJKLQ-UHFFFAOYSA-N 0 0 407.264 4.036 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000466784635 880563795 /nfs/dbraw/zinc/56/37/95/880563795.db2.gz GFLZAXIIYDFVQO-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN C[C@@H](Cn1cccn1)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466788672 880567592 /nfs/dbraw/zinc/56/75/92/880567592.db2.gz KRDFVORNOJHTRH-ZDUSSCGKSA-N 0 0 416.890 4.414 20 5 HIBDRN COc1cc(C(=O)N2CCc3ccccc3[C@]2(C)C(F)(F)F)cc([N+](=O)[O-])c1OC ZINC000466790149 880569310 /nfs/dbraw/zinc/56/93/10/880569310.db2.gz SAXAOTHNYPDKSK-LJQANCHMSA-N 0 0 424.375 4.088 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000466798301 880576218 /nfs/dbraw/zinc/57/62/18/880576218.db2.gz YTPIWDIDIPMDAN-LBPRGKRZSA-N 0 0 402.813 4.624 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@@]3(C)CCO[C@@H]3C3CC3)cc2[N+](=O)[O-])C1 ZINC000466830183 880600366 /nfs/dbraw/zinc/60/03/66/880600366.db2.gz CQSBCVNGLWATNK-WDQPAMAPSA-N 0 0 415.534 4.012 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000466831578 880600401 /nfs/dbraw/zinc/60/04/01/880600401.db2.gz NEEJCUZEVHQVLO-XFEAKLGESA-N 0 0 424.501 4.098 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N(C)Cc3cc(Cl)cn3C)cc2[N+](=O)[O-])C1 ZINC000466839595 880607718 /nfs/dbraw/zinc/60/77/18/880607718.db2.gz BVTMAEROLSIFLM-CQSZACIVSA-N 0 0 404.898 4.095 20 5 HIBDRN COCc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000466848189 880618403 /nfs/dbraw/zinc/61/84/03/880618403.db2.gz XUPJGVUWHJNQEH-HNNXBMFYSA-N 0 0 409.236 4.074 20 5 HIBDRN CN(Cc1cc(Cl)cn1C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000466858394 880627204 /nfs/dbraw/zinc/62/72/04/880627204.db2.gz PJURMVNWPVGIQO-UHFFFAOYSA-N 0 0 418.803 4.066 20 5 HIBDRN C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000466890099 880657562 /nfs/dbraw/zinc/65/75/62/880657562.db2.gz HHGKJEMUPNRAKR-QFBILLFUSA-N 0 0 404.470 4.404 20 5 HIBDRN O=C(NCc1ccccc1)[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000466997396 880807961 /nfs/dbraw/zinc/80/79/61/880807961.db2.gz DKEBNFYKUPUZNR-NRFANRHFSA-N 0 0 409.873 4.396 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3ncc(Cl)cc3Cl)co2)cc1 ZINC000466998017 880808102 /nfs/dbraw/zinc/80/81/02/880808102.db2.gz MINDATDRLQOBOI-AREMUKBSSA-N 0 0 412.254 4.401 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H](OC)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000467011245 880816378 /nfs/dbraw/zinc/81/63/78/880816378.db2.gz UMKFYSLBOPLBDL-IBGZPJMESA-N 0 0 414.458 4.085 20 5 HIBDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467022666 880823940 /nfs/dbraw/zinc/82/39/40/880823940.db2.gz JEXGXYAWAQOYNM-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000467033137 880830922 /nfs/dbraw/zinc/83/09/22/880830922.db2.gz AYUUSHXVSXAWQL-CYBMUJFWSA-N 0 0 405.863 4.110 20 5 HIBDRN Cc1nn(CCC(=O)Nc2cc(Cl)ccc2OCC2CCC2)c(C)c1[N+](=O)[O-] ZINC000467042884 880839067 /nfs/dbraw/zinc/83/90/67/880839067.db2.gz BEHGYTAGCBUVMR-UHFFFAOYSA-N 0 0 406.870 4.269 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)cc1C ZINC000467070867 880850101 /nfs/dbraw/zinc/85/01/01/880850101.db2.gz GOPNEGGZZXRXIL-MRXNPFEDSA-N 0 0 420.487 4.011 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)cc1C ZINC000467070866 880850314 /nfs/dbraw/zinc/85/03/14/880850314.db2.gz GOPNEGGZZXRXIL-INIZCTEOSA-N 0 0 420.487 4.011 20 5 HIBDRN Cc1nccn1CCNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000467122831 880877530 /nfs/dbraw/zinc/87/75/30/880877530.db2.gz RNNPBSPJZGSXMC-UHFFFAOYSA-N 0 0 416.890 4.334 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N(C)Cc2csc(Br)c2)cccc1[N+](=O)[O-] ZINC000467190871 880917018 /nfs/dbraw/zinc/91/70/18/880917018.db2.gz JHCBAVNDAHXBBJ-NSHDSACASA-N 0 0 412.309 4.186 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000467211064 880940978 /nfs/dbraw/zinc/94/09/78/880940978.db2.gz HCSCHHKREHKJJI-QAPCUYQASA-N 0 0 407.829 4.107 20 5 HIBDRN Cc1sc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-] ZINC000467259180 880995112 /nfs/dbraw/zinc/99/51/12/880995112.db2.gz VGVXDPBWOFGYME-UHFFFAOYSA-N 0 0 414.555 4.479 20 5 HIBDRN O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000467266071 881004628 /nfs/dbraw/zinc/00/46/28/881004628.db2.gz MOKZQTFMHHFHQY-UHFFFAOYSA-N 0 0 408.389 4.308 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccccc1Br ZINC000467282442 881030472 /nfs/dbraw/zinc/03/04/72/881030472.db2.gz AXCDSTRPQQPOEE-UHFFFAOYSA-N 0 0 414.053 4.301 20 5 HIBDRN O=C(CN1CCC=Cc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000467291354 881036938 /nfs/dbraw/zinc/03/69/38/881036938.db2.gz MFPZSBTXICXXCP-UHFFFAOYSA-N 0 0 402.248 4.219 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000467368635 881140726 /nfs/dbraw/zinc/14/07/26/881140726.db2.gz HTKVYSOBLJHNNU-UHFFFAOYSA-N 0 0 421.881 4.431 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000467410057 881197849 /nfs/dbraw/zinc/19/78/49/881197849.db2.gz CWIXXTJVZMTIQG-MRXNPFEDSA-N 0 0 405.501 4.362 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000467411472 881199563 /nfs/dbraw/zinc/19/95/63/881199563.db2.gz DBSUKMCCWSLUIV-AWEZNQCLSA-N 0 0 418.949 4.097 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000467465905 881279409 /nfs/dbraw/zinc/27/94/09/881279409.db2.gz PJPZVPIMRYDYAK-LIRRHRJNSA-N 0 0 403.866 4.401 20 5 HIBDRN Cc1nn(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c(C)c1[N+](=O)[O-] ZINC000467497585 881313989 /nfs/dbraw/zinc/31/39/89/881313989.db2.gz YFCVMEDCLHFIHN-LJQANCHMSA-N 0 0 424.505 4.093 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CC(C)C)c1ccccc1C ZINC000469076570 883161947 /nfs/dbraw/zinc/16/19/47/883161947.db2.gz XMFJKKDTDZNLPV-ROUUACIJSA-N 0 0 401.511 4.039 20 5 HIBDRN O=C(CSCC(=O)c1ccc(Cl)cc1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000469104713 883196366 /nfs/dbraw/zinc/19/63/66/883196366.db2.gz VBIGZNYQXPTCFD-UHFFFAOYSA-N 0 0 413.282 4.134 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000469169740 883267149 /nfs/dbraw/zinc/26/71/49/883267149.db2.gz XFARSUKIQZVJJK-CQSZACIVSA-N 0 0 407.392 4.260 20 5 HIBDRN CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)c21 ZINC000469188976 883289318 /nfs/dbraw/zinc/28/93/18/883289318.db2.gz ZSCZDKCBNYKIIO-UHFFFAOYSA-N 0 0 417.425 4.932 20 5 HIBDRN CC(C)CO[C@@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000469203980 883303292 /nfs/dbraw/zinc/30/32/92/883303292.db2.gz ONZBHTHCOFEZIW-FUHWJXTLSA-N 0 0 412.490 4.050 20 5 HIBDRN Cc1cccc(-c2noc(SCC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)c1 ZINC000469280664 883379998 /nfs/dbraw/zinc/37/99/98/883379998.db2.gz NJUFCWHVCOHHEZ-UHFFFAOYSA-N 0 0 418.862 4.015 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469355482 883477159 /nfs/dbraw/zinc/47/71/59/883477159.db2.gz ZAJQFPGWXXJTSC-RYUDHWBXSA-N 0 0 422.279 4.044 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469372576 883500061 /nfs/dbraw/zinc/50/00/61/883500061.db2.gz CDGMYFVPUUBOIY-NEPJUHHUSA-N 0 0 410.804 4.310 20 5 HIBDRN C[C@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000469384758 883527663 /nfs/dbraw/zinc/52/76/63/883527663.db2.gz WGYIIVPVAOJAQA-HRAATJIYSA-N 0 0 405.458 4.258 20 5 HIBDRN CCOc1cc(NC(=O)N2CCc3cccc(F)c3C2)c([N+](=O)[O-])cc1OCC ZINC000503630068 912730861 /nfs/dbraw/zinc/73/08/61/912730861.db2.gz VDQDGHWXWWPZLQ-UHFFFAOYSA-N 0 0 403.410 4.122 20 5 HIBDRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000469526808 883798073 /nfs/dbraw/zinc/79/80/73/883798073.db2.gz GTJUMCBPDFVERO-UHFFFAOYSA-N 0 0 419.359 4.313 20 5 HIBDRN CC(C)(CC1CCCCCC1)NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000469820622 883999630 /nfs/dbraw/zinc/99/96/30/883999630.db2.gz QQQSJDPGDMTUGZ-UHFFFAOYSA-N 0 0 415.490 4.117 20 5 HIBDRN Cc1nn(C)c(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000469877838 884068270 /nfs/dbraw/zinc/06/82/70/884068270.db2.gz BTUNYKRUPSMSRJ-UHFFFAOYSA-N 0 0 422.228 4.383 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2ccncc2)cc1 ZINC000470021159 884239310 /nfs/dbraw/zinc/23/93/10/884239310.db2.gz RECSRLLFKAKJLL-MRXNPFEDSA-N 0 0 413.437 4.334 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503728540 912811734 /nfs/dbraw/zinc/81/17/34/912811734.db2.gz CQCALJRLZLYGJE-AWEZNQCLSA-N 0 0 411.549 4.048 20 5 HIBDRN Cc1coc(-c2ccc(C)c(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)c2)n1 ZINC000470095679 884354321 /nfs/dbraw/zinc/35/43/21/884354321.db2.gz BIUIHSXZIFNUDM-UHFFFAOYSA-N 0 0 403.398 4.305 20 5 HIBDRN COc1ccc(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000470097308 884355567 /nfs/dbraw/zinc/35/55/67/884355567.db2.gz MVDSJHZWGZYXAW-CYBMUJFWSA-N 0 0 411.241 4.204 20 5 HIBDRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470112757 884373148 /nfs/dbraw/zinc/37/31/48/884373148.db2.gz FMGGWZHSUMBDPZ-UHFFFAOYSA-N 0 0 415.400 4.360 20 5 HIBDRN Cc1nn(CCC(=O)Nc2cc(Br)ccc2NC(C)C)c(C)c1[N+](=O)[O-] ZINC000470114683 884375286 /nfs/dbraw/zinc/37/52/86/884375286.db2.gz VEFZCQZKYBEBRO-UHFFFAOYSA-N 0 0 424.299 4.020 20 5 HIBDRN C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000470117607 884377704 /nfs/dbraw/zinc/37/77/04/884377704.db2.gz NCDZAFCAHLJQSW-SECBINFHSA-N 0 0 405.773 4.320 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000470135238 884400235 /nfs/dbraw/zinc/40/02/35/884400235.db2.gz WDCMUKLDWDMNKB-HZPDHXFCSA-N 0 0 413.327 4.093 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000470172853 884453901 /nfs/dbraw/zinc/45/39/01/884453901.db2.gz DNTPKINRNRFIQJ-INMULRNOSA-N 0 0 406.891 4.112 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000470179123 884464023 /nfs/dbraw/zinc/46/40/23/884464023.db2.gz SNOGCOIPOWDFGA-RVDMUPIBSA-N 0 0 411.483 4.264 20 5 HIBDRN CN(CC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000503839689 912836719 /nfs/dbraw/zinc/83/67/19/912836719.db2.gz KIAFWDHVXWRFEX-LJQANCHMSA-N 0 0 424.888 4.180 20 5 HIBDRN Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000470240593 884569786 /nfs/dbraw/zinc/56/97/86/884569786.db2.gz WXBHZDVBQRHAMH-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000470250466 884584380 /nfs/dbraw/zinc/58/43/80/884584380.db2.gz LXQWDUZVSGUXBG-SFHVURJKSA-N 0 0 423.473 4.091 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000470250537 884584487 /nfs/dbraw/zinc/58/44/87/884584487.db2.gz MRTNYEMKHYLRPA-YSGRDPCXSA-N 0 0 400.500 4.420 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000470347823 884738554 /nfs/dbraw/zinc/73/85/54/884738554.db2.gz XDRVGAVMDXDDCN-ZDUSSCGKSA-N 0 0 422.453 4.241 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000470374406 884771383 /nfs/dbraw/zinc/77/13/83/884771383.db2.gz QAKOZLFAPGHXEC-LLVKDONJSA-N 0 0 403.822 4.396 20 5 HIBDRN CC(C)(C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1)n1cc([N+](=O)[O-])cn1 ZINC000470406397 884810285 /nfs/dbraw/zinc/81/02/85/884810285.db2.gz YCTPOWNBUJKIAM-UHFFFAOYSA-N 0 0 411.289 4.071 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000470491873 884878918 /nfs/dbraw/zinc/87/89/18/884878918.db2.gz KGKYEZJCIUVVGU-ZDUSSCGKSA-N 0 0 407.854 4.026 20 5 HIBDRN Cc1nc(-c2ccccc2)oc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000470525361 884919305 /nfs/dbraw/zinc/91/93/05/884919305.db2.gz GQXYZKLROSUXMV-UHFFFAOYSA-N 0 0 407.426 4.242 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000470590944 885008117 /nfs/dbraw/zinc/00/81/17/885008117.db2.gz NGJBZBLKWNOUCI-UHFFFAOYSA-N 0 0 424.407 4.378 20 5 HIBDRN Cc1nc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2C)oc1C ZINC000503966881 912888281 /nfs/dbraw/zinc/88/82/81/912888281.db2.gz WWYABGWNVJPWBC-UHFFFAOYSA-N 0 0 415.471 4.212 20 5 HIBDRN COc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1[N+](=O)[O-] ZINC000470637913 885063781 /nfs/dbraw/zinc/06/37/81/885063781.db2.gz NYPNKXOURAJTNA-UHFFFAOYSA-N 0 0 408.798 4.167 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000470666799 885094061 /nfs/dbraw/zinc/09/40/61/885094061.db2.gz HNLPOAJSMJCGDK-HNNXBMFYSA-N 0 0 421.544 4.446 20 5 HIBDRN CCc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2c(CC(C)(C)C)noc2n1 ZINC000503985890 912898178 /nfs/dbraw/zinc/89/81/78/912898178.db2.gz KWBNYSGXUMCDHD-UHFFFAOYSA-N 0 0 408.458 4.485 20 5 HIBDRN Cc1cccc(-n2ncc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2C(F)(F)F)c1 ZINC000470699395 885137840 /nfs/dbraw/zinc/13/78/40/885137840.db2.gz PQCCRZHREHRJNB-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN CCC1(CC)Oc2ccc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)cc2O1 ZINC000470736968 885193376 /nfs/dbraw/zinc/19/33/76/885193376.db2.gz MUFGGGFQHYDKJA-UHFFFAOYSA-N 0 0 423.429 4.024 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000470761308 885226739 /nfs/dbraw/zinc/22/67/39/885226739.db2.gz WIHIACJAAUTQKF-BMIGLBTASA-N 0 0 400.378 4.277 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000470788743 885267648 /nfs/dbraw/zinc/26/76/48/885267648.db2.gz XSLJKAJNKRDVNR-ZDUSSCGKSA-N 0 0 412.421 4.118 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000470829009 885317690 /nfs/dbraw/zinc/31/76/90/885317690.db2.gz CAFWXRQSEQDKNM-OAHLLOKOSA-N 0 0 400.431 4.194 20 5 HIBDRN CC(=O)Nc1cccc(Nc2nnc(Sc3cc(C)c([N+](=O)[O-])cn3)s2)c1 ZINC000470862895 885353096 /nfs/dbraw/zinc/35/30/96/885353096.db2.gz PLGYNSJQKMAVRR-UHFFFAOYSA-N 0 0 402.461 4.003 20 5 HIBDRN CCO[C@H](CCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])C(C)C ZINC000470864152 885354844 /nfs/dbraw/zinc/35/48/44/885354844.db2.gz ZPQRCVYCEZKIPS-HXUWFJFHSA-N 0 0 421.519 4.259 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(OC)c(OC2CCCC2)c1 ZINC000470891524 885386876 /nfs/dbraw/zinc/38/68/76/885386876.db2.gz MEPJNFMGTRNENI-UHFFFAOYSA-N 0 0 414.458 4.254 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(OC)c1OC1CCCC1 ZINC000470946207 885445470 /nfs/dbraw/zinc/44/54/70/885445470.db2.gz FERILOUFUXYMEG-UHFFFAOYSA-N 0 0 414.458 4.254 20 5 HIBDRN COc1cc(C(=O)Nc2cnns2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470977786 885478331 /nfs/dbraw/zinc/47/83/31/885478331.db2.gz PMHSISNVSSWQLU-UHFFFAOYSA-N 0 0 406.807 4.153 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000470986761 885488648 /nfs/dbraw/zinc/48/86/48/885488648.db2.gz XSFVTOQOWQJLJU-UHFFFAOYSA-N 0 0 418.396 4.007 20 5 HIBDRN Cn1nc(C(F)F)c2cc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)sc21 ZINC000470986639 885488779 /nfs/dbraw/zinc/48/87/79/885488779.db2.gz WTWDYXGHVVPSMV-UHFFFAOYSA-N 0 0 408.430 4.233 20 5 HIBDRN Cc1cc(NC(=O)c2cc(C(F)(F)F)ccc2F)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000471147555 885692518 /nfs/dbraw/zinc/69/25/18/885692518.db2.gz FVADGBQLEGGMRY-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN CCS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)s1 ZINC000471277589 885856272 /nfs/dbraw/zinc/85/62/72/885856272.db2.gz KDPJEMVCJMSTQQ-UHFFFAOYSA-N 0 0 410.520 4.173 20 5 HIBDRN Cc1cccnc1N(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000471300307 885888438 /nfs/dbraw/zinc/88/84/38/885888438.db2.gz MDBDQYFBSBZJPX-UHFFFAOYSA-N 0 0 406.229 4.067 20 5 HIBDRN C[C@H](NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000504081566 912990957 /nfs/dbraw/zinc/99/09/57/912990957.db2.gz PWDWAGHWCJDDBO-LBPRGKRZSA-N 0 0 412.273 4.167 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1 ZINC000504089056 912998236 /nfs/dbraw/zinc/99/82/36/912998236.db2.gz DWIFBJDHTCKLLO-ZDUSSCGKSA-N 0 0 417.487 4.323 20 5 HIBDRN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000471472189 886164198 /nfs/dbraw/zinc/16/41/98/886164198.db2.gz QYZQANOMXHWJSD-DZGCQCFKSA-N 0 0 403.276 4.451 20 5 HIBDRN COC[C@@H](NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1ccco1 ZINC000471511748 886212487 /nfs/dbraw/zinc/21/24/87/886212487.db2.gz LPAAMRBJJSSMMQ-CYBMUJFWSA-N 0 0 419.484 4.221 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000471547523 886254647 /nfs/dbraw/zinc/25/46/47/886254647.db2.gz NOIUMUBSNMNBCU-UHFFFAOYSA-N 0 0 413.817 4.149 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000471552214 886261577 /nfs/dbraw/zinc/26/15/77/886261577.db2.gz QZIODQIIRKSEJO-SJLPKXTDSA-N 0 0 418.490 4.428 20 5 HIBDRN CCN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000471580378 886293812 /nfs/dbraw/zinc/29/38/12/886293812.db2.gz BHMYFNUHTTXOBU-UHFFFAOYSA-N 0 0 424.276 4.054 20 5 HIBDRN O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000504123633 913028611 /nfs/dbraw/zinc/02/86/11/913028611.db2.gz KNTKOPHHIANBQY-UHFFFAOYSA-N 0 0 408.748 4.288 20 5 HIBDRN CCOc1cc(C(=O)NC(C)(C)c2cccc(Cl)c2F)c([N+](=O)[O-])cc1OC ZINC000471651751 886367266 /nfs/dbraw/zinc/36/72/66/886367266.db2.gz AJVQRFYPOLNSGM-UHFFFAOYSA-N 0 0 410.829 4.460 20 5 HIBDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000471692236 886401524 /nfs/dbraw/zinc/40/15/24/886401524.db2.gz JWMNVFXXJDERBS-RMLVOYDJSA-N 0 0 422.254 4.413 20 5 HIBDRN Cc1cc2c(cc1C)[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)CO2 ZINC000471741810 886464469 /nfs/dbraw/zinc/46/44/69/886464469.db2.gz TVWOXPNXRVFQDD-INIZCTEOSA-N 0 0 408.376 4.279 20 5 HIBDRN COC(=O)c1ccc(C)c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000471791344 886527216 /nfs/dbraw/zinc/52/72/16/886527216.db2.gz HZKSOEUHSYWTDG-UHFFFAOYSA-N 0 0 422.387 4.307 20 5 HIBDRN O=C(Nc1ccc(Oc2ccccn2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000504171731 913057776 /nfs/dbraw/zinc/05/77/76/913057776.db2.gz YVAYRNXLOYHFRE-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN C[C@@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1 ZINC000504175844 913059610 /nfs/dbraw/zinc/05/96/10/913059610.db2.gz OPGDTKNWXBSBKM-LBPRGKRZSA-N 0 0 414.405 4.289 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nnc(-c3ccc(Br)o3)o2)c2cccnc21 ZINC000471876728 886657522 /nfs/dbraw/zinc/65/75/22/886657522.db2.gz YWOBYGBDMIRGQX-UHFFFAOYSA-N 0 0 417.175 4.128 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2ncccc12)NCc1ccccc1OC1CCCC1 ZINC000471881114 886662911 /nfs/dbraw/zinc/66/29/11/886662911.db2.gz BVXORYGQBAFAJQ-UHFFFAOYSA-N 0 0 421.453 4.160 20 5 HIBDRN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3ncccc23)c(Br)c1 ZINC000471884892 886666508 /nfs/dbraw/zinc/66/65/08/886666508.db2.gz NAOCKSBJSMFAEW-UHFFFAOYSA-N 0 0 416.231 4.231 20 5 HIBDRN CCc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[N+](=O)[O-] ZINC000471978447 886807960 /nfs/dbraw/zinc/80/79/60/886807960.db2.gz OJTKECBEVBDBBW-KRWDZBQOSA-N 0 0 424.432 4.366 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000471982125 886809488 /nfs/dbraw/zinc/80/94/88/886809488.db2.gz ADTVPXIPSMFAPX-QWHCGFSZSA-N 0 0 413.409 4.214 20 5 HIBDRN Cn1c(CNc2cc([N+](=O)[O-])ccc2OC(F)F)nnc1-c1ccc(Cl)cc1 ZINC000471982996 886811150 /nfs/dbraw/zinc/81/11/50/886811150.db2.gz FGKIORQBNWMXTE-UHFFFAOYSA-N 0 0 409.780 4.257 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471989193 886816476 /nfs/dbraw/zinc/81/64/76/886816476.db2.gz RVUDWSMHTJYJCZ-QFBILLFUSA-N 0 0 404.417 4.057 20 5 HIBDRN CCc1ccc(C(=O)NC2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000471997530 886823051 /nfs/dbraw/zinc/82/30/51/886823051.db2.gz ISFDDKHRIUCBNI-NRFANRHFSA-N 0 0 423.513 4.072 20 5 HIBDRN Cc1cccc(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1[N+](=O)[O-] ZINC000472191153 886992854 /nfs/dbraw/zinc/99/28/54/886992854.db2.gz CQPWHSSCIBQYMU-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000472230317 887035885 /nfs/dbraw/zinc/03/58/85/887035885.db2.gz GIARDRPIIKNBCR-UHFFFAOYSA-N 0 0 420.391 4.413 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](C)CSc2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000472254811 887065100 /nfs/dbraw/zinc/06/51/00/887065100.db2.gz FMAVKUXEWXWVCQ-CQSZACIVSA-N 0 0 404.488 4.221 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000472257731 887068703 /nfs/dbraw/zinc/06/87/03/887068703.db2.gz LLYDNNYRYYTVRA-MRXNPFEDSA-N 0 0 411.405 4.247 20 5 HIBDRN O=C(c1c[nH]c2ncc(Br)cc12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000472347152 887182517 /nfs/dbraw/zinc/18/25/17/887182517.db2.gz JQFTWXPKKLDCHK-UHFFFAOYSA-N 0 0 415.247 4.038 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCc3ncc(C(C)(C)C)o3)cc2[N+](=O)[O-])C1 ZINC000472364695 887201393 /nfs/dbraw/zinc/20/13/93/887201393.db2.gz BAURATBKQWAZHB-AWEZNQCLSA-N 0 0 400.479 4.047 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)cc1 ZINC000472404954 887253643 /nfs/dbraw/zinc/25/36/43/887253643.db2.gz OBQCZEZWTMZFKC-LBPRGKRZSA-N 0 0 406.398 4.444 20 5 HIBDRN Cc1cc(-c2noc([C@@H](C)NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)ccc1F ZINC000472419791 887268380 /nfs/dbraw/zinc/26/83/80/887268380.db2.gz YUTYFMABPAKQDG-LLVKDONJSA-N 0 0 409.377 4.065 20 5 HIBDRN Cc1nc2cc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)ccc2n1Cc1ccsc1 ZINC000472549246 887430894 /nfs/dbraw/zinc/43/08/94/887430894.db2.gz ILTOYAUMWJIEPB-UHFFFAOYSA-N 0 0 407.455 4.318 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(Br)cccc21)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000504302095 913153489 /nfs/dbraw/zinc/15/34/89/913153489.db2.gz HXDDKYOUMGAVFB-CYBMUJFWSA-N 0 0 416.231 4.092 20 5 HIBDRN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472634142 887498612 /nfs/dbraw/zinc/49/86/12/887498612.db2.gz AUCMTTTXXZBFED-OAQYLSRUSA-N 0 0 415.877 4.157 20 5 HIBDRN O=C(N[C@H]1CCOc2c(Br)cccc21)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000504302096 913153678 /nfs/dbraw/zinc/15/36/78/913153678.db2.gz HXDDKYOUMGAVFB-ZDUSSCGKSA-N 0 0 416.231 4.092 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)ccc1F ZINC000472678926 887533282 /nfs/dbraw/zinc/53/32/82/887533282.db2.gz OLLGRTXUMRWKCK-JTQLQIEISA-N 0 0 404.785 4.237 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000472690999 887545451 /nfs/dbraw/zinc/54/54/51/887545451.db2.gz YKKHTASFSVHMTI-WAVCKPEOSA-N 0 0 417.462 4.219 20 5 HIBDRN CC[C@@H](C)n1c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000504307205 913157042 /nfs/dbraw/zinc/15/70/42/913157042.db2.gz OFKGADBMQULAPG-CYBMUJFWSA-N 0 0 411.487 4.216 20 5 HIBDRN O=C(Nc1cccc(CSC2CCCC2)c1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472724027 887570827 /nfs/dbraw/zinc/57/08/27/887570827.db2.gz IFYSYIYHILWTEQ-UHFFFAOYSA-N 0 0 417.462 4.487 20 5 HIBDRN C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000472768224 887613069 /nfs/dbraw/zinc/61/30/69/887613069.db2.gz IONJCIHJEWPYAD-AWEZNQCLSA-N 0 0 413.478 4.136 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC(C)C ZINC000472770260 887616762 /nfs/dbraw/zinc/61/67/62/887616762.db2.gz LLMUFSKMGSBXRI-IIBYNOLFSA-N 0 0 415.490 4.438 20 5 HIBDRN COc1ccc(C(=O)CCCCc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)cc1 ZINC000472779168 887625124 /nfs/dbraw/zinc/62/51/24/887625124.db2.gz ZMUJWVUKAGUEFB-UHFFFAOYSA-N 0 0 409.442 4.481 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)cc1C ZINC000472856661 887711846 /nfs/dbraw/zinc/71/18/46/887711846.db2.gz VFIFTULQDNLPFG-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN COc1cccc(C=C2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000472967992 887814569 /nfs/dbraw/zinc/81/45/69/887814569.db2.gz WESUZZFCKIHUJR-UHFFFAOYSA-N 0 0 419.437 4.177 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(C(F)(F)F)cc1 ZINC000473017129 887844080 /nfs/dbraw/zinc/84/40/80/887844080.db2.gz YQOCLBBZGPLBJR-LLVKDONJSA-N 0 0 414.405 4.189 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CCO[C@H](c4cccs4)C3)cc2[N+](=O)[O-])CC1 ZINC000473174781 887952685 /nfs/dbraw/zinc/95/26/85/887952685.db2.gz ZOAZIELZNWUZKQ-IBGZPJMESA-N 0 0 415.515 4.106 20 5 HIBDRN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000473265301 888026719 /nfs/dbraw/zinc/02/67/19/888026719.db2.gz WEIJTLXHWVXHOF-FPOVZHCZSA-N 0 0 424.840 4.429 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000473342210 888074149 /nfs/dbraw/zinc/07/41/49/888074149.db2.gz WTKAFSMKFLNBHI-FPOVZHCZSA-N 0 0 424.432 4.253 20 5 HIBDRN C[C@H]1CCC[C@H](CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000504388452 913212285 /nfs/dbraw/zinc/21/22/85/913212285.db2.gz NYDTZPNEXWPCOL-STQMWFEESA-N 0 0 423.516 4.039 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473425959 888146020 /nfs/dbraw/zinc/14/60/20/888146020.db2.gz GULPLDODVUVOEM-UHFFFAOYSA-N 0 0 402.466 4.091 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N(Cc1cccc(Br)c1)CC1CC1 ZINC000473431619 888152636 /nfs/dbraw/zinc/15/26/36/888152636.db2.gz FCWJWMUPVOJKHW-UHFFFAOYSA-N 0 0 418.291 4.479 20 5 HIBDRN COC(=O)COc1ccc(CNc2nc3ccccc3n2C2CCCC2)cc1[N+](=O)[O-] ZINC000473478286 888200512 /nfs/dbraw/zinc/20/05/12/888200512.db2.gz DFIQLGLXKMYAPF-UHFFFAOYSA-N 0 0 424.457 4.224 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1CCCC2(CC2)C1 ZINC000473494169 888215455 /nfs/dbraw/zinc/21/54/55/888215455.db2.gz ZBZOOFYMNJQPLJ-UHFFFAOYSA-N 0 0 417.512 4.149 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@]4(CCCOC4)C3)cc2[N+](=O)[O-])C1 ZINC000473525901 888263444 /nfs/dbraw/zinc/26/34/44/888263444.db2.gz LWUUQERBBDIOGF-IEGUWTFLSA-N 0 0 415.534 4.110 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(CNc3nc4ccccc4cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000473526860 888263888 /nfs/dbraw/zinc/26/38/88/888263888.db2.gz SHZFQFOMKVIFCR-HZPDHXFCSA-N 0 0 420.469 4.005 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000473529278 888267285 /nfs/dbraw/zinc/26/72/85/888267285.db2.gz WIQVZMLXLGTYIT-KRWDZBQOSA-N 0 0 400.442 4.312 20 5 HIBDRN COc1cc(OC)cc([C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])c2nccn2C)c1 ZINC000473528971 888267424 /nfs/dbraw/zinc/26/74/24/888267424.db2.gz INKIYSKVEHSKRC-FQEVSTJZSA-N 0 0 419.441 4.095 20 5 HIBDRN Cc1ccc([C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)C2)c(C)c1 ZINC000473533597 888271693 /nfs/dbraw/zinc/27/16/93/888271693.db2.gz TWUHQYQPNKNRFP-KRWDZBQOSA-N 0 0 405.454 4.155 20 5 HIBDRN Cc1nc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)oc1-c1ccc(Cl)cc1 ZINC000473582100 888323991 /nfs/dbraw/zinc/32/39/91/888323991.db2.gz HSPDTYRMIABILH-UHFFFAOYSA-N 0 0 411.805 4.018 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c1 ZINC000473597567 888341175 /nfs/dbraw/zinc/34/11/75/888341175.db2.gz NCJLKBRMXUGLRI-UHFFFAOYSA-N 0 0 401.806 4.150 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000473619961 888360395 /nfs/dbraw/zinc/36/03/95/888360395.db2.gz SBUWGAQTHCBIHZ-SMDDNHRTSA-N 0 0 413.630 4.436 20 5 HIBDRN CC(C)Cc1ncc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cn1 ZINC000473626283 888365068 /nfs/dbraw/zinc/36/50/68/888365068.db2.gz ANUHPARFLZONCR-UHFFFAOYSA-N 0 0 408.408 4.200 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000473626890 888366044 /nfs/dbraw/zinc/36/60/44/888366044.db2.gz YBXLDRWKJZOXQL-APPDUMDISA-N 0 0 418.222 4.264 20 5 HIBDRN CC(=O)c1cc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1F ZINC000504430925 913243519 /nfs/dbraw/zinc/24/35/19/913243519.db2.gz HXMKHICVTSJXOQ-VIFPVBQESA-N 0 0 413.327 4.394 20 5 HIBDRN COc1ccc(-c2nc(Sc3nc(C)ccc3[N+](=O)[O-])n[nH]2)cc1Br ZINC000473726106 888503089 /nfs/dbraw/zinc/50/30/89/888503089.db2.gz XGQJURCIACIABJ-UHFFFAOYSA-N 0 0 422.264 4.006 20 5 HIBDRN Cc1cc(NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000473769640 888567103 /nfs/dbraw/zinc/56/71/03/888567103.db2.gz OBNPYGLNBHCQFG-KRWDZBQOSA-N 0 0 420.263 4.271 20 5 HIBDRN COCCCN(CCc1ccc(OC)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000473786603 888595988 /nfs/dbraw/zinc/59/59/88/888595988.db2.gz LTGAYDFYSBBAGL-UHFFFAOYSA-N 0 0 401.463 4.025 20 5 HIBDRN COc1ccc([C@@H]2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000504495174 913285499 /nfs/dbraw/zinc/28/54/99/913285499.db2.gz YMCVKYCBKTXOEO-UKRRQHHQSA-N 0 0 403.866 4.073 20 5 HIBDRN CC(C)(C)CCCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000504495685 913285624 /nfs/dbraw/zinc/28/56/24/913285624.db2.gz GJSMACVOLANSBO-UHFFFAOYSA-N 0 0 411.505 4.039 20 5 HIBDRN C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1noc(-c2ccccc2)n1 ZINC000474036690 888882901 /nfs/dbraw/zinc/88/29/01/888882901.db2.gz ULHLCMGOKVPDJU-OAHLLOKOSA-N 0 0 409.446 4.028 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N[C@@H]3c4ccccc4C[C@H]3O)c([N+](=O)[O-])c2)cc1 ZINC000474139126 888961318 /nfs/dbraw/zinc/96/13/18/888961318.db2.gz PQNFNJSUWKMYOG-FGZHOGPDSA-N 0 0 403.438 4.226 20 5 HIBDRN COc1ccc(OC)c(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)(C)C)c1 ZINC000474158986 888993087 /nfs/dbraw/zinc/99/30/87/888993087.db2.gz HBMOLUOJGKBNKP-UHFFFAOYSA-N 0 0 415.490 4.160 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474200378 889037339 /nfs/dbraw/zinc/03/73/39/889037339.db2.gz UNHHNTJVOMQYKH-CHWSQXEVSA-N 0 0 412.895 4.070 20 5 HIBDRN CCOc1ccc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000474227426 889068057 /nfs/dbraw/zinc/06/80/57/889068057.db2.gz CMLZTAYAPUQULM-BFUOFWGJSA-N 0 0 404.850 4.249 20 5 HIBDRN C[C@H](C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000474235518 889080787 /nfs/dbraw/zinc/08/07/87/889080787.db2.gz UZHWUAUKNDZBGF-WTOJCKNJSA-N 0 0 406.841 4.479 20 5 HIBDRN COCCn1c(=O)c2ccc(Cl)cc2nc1SCc1c(F)cccc1[N+](=O)[O-] ZINC000504530652 913311414 /nfs/dbraw/zinc/31/14/14/913311414.db2.gz YHZWEHUCCSLDQS-UHFFFAOYSA-N 0 0 423.853 4.036 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000474404128 889271988 /nfs/dbraw/zinc/27/19/88/889271988.db2.gz VBSBSIZZJUDCFF-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN CC[C@@H](NC(=O)N[C@@H](C)c1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000474490620 889351770 /nfs/dbraw/zinc/35/17/70/889351770.db2.gz HWQBTUSBFKKWLU-XHDPSFHLSA-N 0 0 407.268 4.264 20 5 HIBDRN Cc1ccc(SC[C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000474560598 889437523 /nfs/dbraw/zinc/43/75/23/889437523.db2.gz OSYNGIQWDSLSFY-HNNXBMFYSA-N 0 0 411.483 4.127 20 5 HIBDRN C/C=C/C[C@@H](CO)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000474619812 889484202 /nfs/dbraw/zinc/48/42/02/889484202.db2.gz MUWDEURSONISKB-BWPKMQGJSA-N 0 0 420.849 4.106 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc3c(c2)O[C@@](C)(CC)O3)c([N+](=O)[O-])cc1OC ZINC000474647747 889508952 /nfs/dbraw/zinc/50/89/52/889508952.db2.gz NUJSDHPWNYGDPU-FQEVSTJZSA-N 0 0 402.403 4.152 20 5 HIBDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000474662667 889527989 /nfs/dbraw/zinc/52/79/89/889527989.db2.gz WWTBJSUYXOKFCQ-NQNZVUTLSA-N 0 0 414.405 4.184 20 5 HIBDRN COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)c2nccs2)c(OC)c1 ZINC000474725265 889580735 /nfs/dbraw/zinc/58/07/35/889580735.db2.gz BWRVYXUKHSALPG-UHFFFAOYSA-N 0 0 419.484 4.285 20 5 HIBDRN COc1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2C)c2nccs2)c(OC)c1 ZINC000474735047 889590220 /nfs/dbraw/zinc/59/02/20/889590220.db2.gz KDKDIARJXLAETO-UHFFFAOYSA-N 0 0 413.455 4.224 20 5 HIBDRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000474755123 889613346 /nfs/dbraw/zinc/61/33/46/889613346.db2.gz WTKBLEHYXBHUKH-ZIAGYGMSSA-N 0 0 413.865 4.093 20 5 HIBDRN CCCN(CC(C)(C)O)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000474856042 889710845 /nfs/dbraw/zinc/71/08/45/889710845.db2.gz YFKQZKCDODBKGM-UHFFFAOYSA-N 0 0 402.447 4.019 20 5 HIBDRN CCCN(CC(C)(C)O)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000474866363 889721430 /nfs/dbraw/zinc/72/14/30/889721430.db2.gz CBXBRICTPFFKRA-UHFFFAOYSA-N 0 0 409.533 4.134 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474892011 889749262 /nfs/dbraw/zinc/74/92/62/889749262.db2.gz HEHCGXMPJUEMIH-QGZVFWFLSA-N 0 0 419.359 4.309 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000474892017 889750299 /nfs/dbraw/zinc/75/02/99/889750299.db2.gz HFSUTDPFASIYLP-SOUVJXGZSA-N 0 0 417.893 4.017 20 5 HIBDRN CCOc1ccc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000474896288 889755033 /nfs/dbraw/zinc/75/50/33/889755033.db2.gz ZKMLJQGRIHLCNZ-GOSISDBHSA-N 0 0 424.375 4.226 20 5 HIBDRN CCc1ccc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000474898275 889757561 /nfs/dbraw/zinc/75/75/61/889757561.db2.gz WQNBVQHSPHYUKI-SFHVURJKSA-N 0 0 408.376 4.390 20 5 HIBDRN C[C@@H]1Cc2cc(-c3csc(-c4ccccc4[N+](=O)[O-])n3)ccc2N1S(C)(=O)=O ZINC000474925714 889785727 /nfs/dbraw/zinc/78/57/27/889785727.db2.gz GCHZBTUUSOARSR-GFCCVEGCSA-N 0 0 415.496 4.096 20 5 HIBDRN COc1ccc(CNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)cc1[N+](=O)[O-] ZINC000475034200 889886906 /nfs/dbraw/zinc/88/69/06/889886906.db2.gz VATCFDKJBZCMEQ-UHFFFAOYSA-N 0 0 403.394 4.342 20 5 HIBDRN CCCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504656103 913397209 /nfs/dbraw/zinc/39/72/09/913397209.db2.gz VHECHOWXKKUSMZ-HNNXBMFYSA-N 0 0 414.462 4.265 20 5 HIBDRN C[C@@H](O)C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccccc1 ZINC000475189453 890058636 /nfs/dbraw/zinc/05/86/36/890058636.db2.gz INMWTWNTDDGTFF-OCCSQVGLSA-N 0 0 411.380 4.290 20 5 HIBDRN Cc1ccnc(OC2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)c1 ZINC000475194525 890063233 /nfs/dbraw/zinc/06/32/33/890063233.db2.gz FTSAGJYZTUVNOW-UHFFFAOYSA-N 0 0 424.379 4.392 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000475198728 890067580 /nfs/dbraw/zinc/06/75/80/890067580.db2.gz YDUJPPKDKIZLRZ-JTQLQIEISA-N 0 0 422.363 4.381 20 5 HIBDRN COc1ccccc1N1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000475205863 890075654 /nfs/dbraw/zinc/07/56/54/890075654.db2.gz SIYJYVPPBBPOGH-ZDUSSCGKSA-N 0 0 424.379 4.023 20 5 HIBDRN CO[C@H](C)c1nc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cs1 ZINC000475213627 890083841 /nfs/dbraw/zinc/08/38/41/890083841.db2.gz GXLJPGCQAOJMHR-MRVPVSSYSA-N 0 0 404.370 4.099 20 5 HIBDRN CC(C)n1cc2c(n1)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 ZINC000475220607 890090936 /nfs/dbraw/zinc/09/09/36/890090936.db2.gz SKDVWQRHETWSNZ-ZDUSSCGKSA-N 0 0 411.384 4.070 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000475224388 890093532 /nfs/dbraw/zinc/09/35/32/890093532.db2.gz NBZAUONMGMOZDY-JTQLQIEISA-N 0 0 400.382 4.482 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000475231474 890101678 /nfs/dbraw/zinc/10/16/78/890101678.db2.gz HTUZBWZTEGKUBS-GOSISDBHSA-N 0 0 423.391 4.419 20 5 HIBDRN CC[C@H](C)[C@H](O)CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000475232778 890103858 /nfs/dbraw/zinc/10/38/58/890103858.db2.gz MZGGPGAUTQAIPN-BLLLJJGKSA-N 0 0 422.865 4.186 20 5 HIBDRN C[C@H]1OCC[C@@]12CN(Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CCO2 ZINC000475296454 890203766 /nfs/dbraw/zinc/20/37/66/890203766.db2.gz VBWPJUHSKOTKFO-QVKFZJNVSA-N 0 0 418.877 4.420 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2c(C)cccc2I)cc1[N+](=O)[O-] ZINC000475301848 890209961 /nfs/dbraw/zinc/20/99/61/890209961.db2.gz LPBUOZIEIHUZQO-LBPRGKRZSA-N 0 0 424.238 4.307 20 5 HIBDRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(OCC(C)C)c1 ZINC000475345584 890267343 /nfs/dbraw/zinc/26/73/43/890267343.db2.gz BTMQNKKXDSROOR-UHFFFAOYSA-N 0 0 410.373 4.492 20 5 HIBDRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(OC(F)F)c1 ZINC000475346456 890269809 /nfs/dbraw/zinc/26/98/09/890269809.db2.gz GWUSKLZOMFYEJN-UHFFFAOYSA-N 0 0 404.272 4.059 20 5 HIBDRN Cc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1 ZINC000475382141 890310636 /nfs/dbraw/zinc/31/06/36/890310636.db2.gz PDBGNRUKTSHMSS-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1sc(NC(=O)COc2cccc([N+](=O)[O-])c2)nc1-c1c(F)cc(F)cc1F ZINC000504703746 913439336 /nfs/dbraw/zinc/43/93/36/913439336.db2.gz PMFTYNLIZCGQOE-UHFFFAOYSA-N 0 0 423.372 4.462 20 5 HIBDRN O=C(Nc1ccccc1OCC(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000475412466 890340111 /nfs/dbraw/zinc/34/01/11/890340111.db2.gz OZLBJQIQCYBOLO-UHFFFAOYSA-N 0 0 401.163 4.254 20 5 HIBDRN CC[C@H]1NC(=O)N(c2cccc(NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2)C1=O ZINC000475547754 890472976 /nfs/dbraw/zinc/47/29/76/890472976.db2.gz ICHFUFJOBSJYSE-LJQANCHMSA-N 0 0 420.425 4.302 20 5 HIBDRN CCCc1n[nH]c(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000475558196 890486737 /nfs/dbraw/zinc/48/67/37/890486737.db2.gz DMQNMJZZDNOBJX-UHFFFAOYSA-N 0 0 410.396 4.309 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000475570649 890501504 /nfs/dbraw/zinc/50/15/04/890501504.db2.gz ZHQWCHKCAAMCOE-UHFFFAOYSA-N 0 0 418.444 4.276 20 5 HIBDRN CCc1noc(-c2ccc(CCNC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)cc2)n1 ZINC000475572657 890503376 /nfs/dbraw/zinc/50/33/76/890503376.db2.gz QAPJCXPQPOFDQI-UHFFFAOYSA-N 0 0 409.446 4.188 20 5 HIBDRN CC[C@@H]1NC(=O)N(c2cccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)c2)C1=O ZINC000475573052 890504858 /nfs/dbraw/zinc/50/48/58/890504858.db2.gz RJHXFFURWOIMEG-SFHVURJKSA-N 0 0 420.425 4.302 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000475579252 890508230 /nfs/dbraw/zinc/50/82/30/890508230.db2.gz UGBIALZICLVFGA-UHFFFAOYSA-N 0 0 411.462 4.030 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c(OC[C@H]2CCCO2)c1 ZINC000475638600 890579070 /nfs/dbraw/zinc/57/90/70/890579070.db2.gz KKLZGNLTCHKCOC-GOSISDBHSA-N 0 0 413.474 4.400 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000475652368 890596230 /nfs/dbraw/zinc/59/62/30/890596230.db2.gz GKHHCVCQEOPPIU-IBGZPJMESA-N 0 0 423.494 4.192 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2N(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000475709297 890648290 /nfs/dbraw/zinc/64/82/90/890648290.db2.gz KGBNPSFJBHYXBR-INIZCTEOSA-N 0 0 424.501 4.098 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC000475729657 890669312 /nfs/dbraw/zinc/66/93/12/890669312.db2.gz OPBDGKQYFKEIRZ-UHFFFAOYSA-N 0 0 408.380 4.034 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ncnn1C ZINC000475772417 890716207 /nfs/dbraw/zinc/71/62/07/890716207.db2.gz ZUBYRQGECYKHHC-LLVKDONJSA-N 0 0 417.878 4.019 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000475852505 890786709 /nfs/dbraw/zinc/78/67/09/890786709.db2.gz ZATBWXLKDUDEOF-QGZVFWFLSA-N 0 0 423.238 4.019 20 5 HIBDRN CC(C)Sc1ccc([C@@H](C)NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000504749253 913487962 /nfs/dbraw/zinc/48/79/62/913487962.db2.gz GEKOFVZEECYWEF-OAHLLOKOSA-N 0 0 415.515 4.093 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cc1SC ZINC000475856196 890791616 /nfs/dbraw/zinc/79/16/16/890791616.db2.gz ZJWDWZVHOZYLNJ-UHFFFAOYSA-N 0 0 418.862 4.417 20 5 HIBDRN O=[N+]([O-])c1cccc(Br)c1OCc1ccc(Cl)cc1-n1cncn1 ZINC000475862580 890798969 /nfs/dbraw/zinc/79/89/69/890798969.db2.gz AFFGXWPQZJRENI-UHFFFAOYSA-N 0 0 409.627 4.170 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000475862489 890799263 /nfs/dbraw/zinc/79/92/63/890799263.db2.gz INJNVXHZVUIRTM-INIZCTEOSA-N 0 0 418.291 4.202 20 5 HIBDRN COC[C@H](Cc1ccccc1)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000475883064 890816784 /nfs/dbraw/zinc/81/67/84/890816784.db2.gz TZFBQFVPLGNRNG-SFHVURJKSA-N 0 0 411.483 4.048 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000475888717 890822058 /nfs/dbraw/zinc/82/20/58/890822058.db2.gz NOKNFYXYPHXXFN-MCIONIFRSA-N 0 0 419.503 4.146 20 5 HIBDRN Cc1ccc2c(c1)CC[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)O2 ZINC000475929545 890854389 /nfs/dbraw/zinc/85/43/89/890854389.db2.gz MCJGPTXFMDZJMD-SFHVURJKSA-N 0 0 408.376 4.188 20 5 HIBDRN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000504760754 913495555 /nfs/dbraw/zinc/49/55/55/913495555.db2.gz VGOXUAIMANRCCK-UHFFFAOYSA-N 0 0 415.446 4.438 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(OCc2cccc(C(F)F)c2)c([N+](=O)[O-])c1 ZINC000475940864 890863913 /nfs/dbraw/zinc/86/39/13/890863913.db2.gz SFVYSRBZAZPGPC-UHFFFAOYSA-N 0 0 414.430 4.142 20 5 HIBDRN O=C(NC[C@H](CCO)c1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000476082188 891004973 /nfs/dbraw/zinc/00/49/73/891004973.db2.gz WUIIPKPQDYKXON-NRFANRHFSA-N 0 0 419.481 4.103 20 5 HIBDRN O=C(NC[C@@H](CCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000476085997 891009974 /nfs/dbraw/zinc/00/99/74/891009974.db2.gz UIWLMALTQBSZQZ-GOSISDBHSA-N 0 0 406.438 4.283 20 5 HIBDRN Cc1cc(C)c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1I ZINC000476088176 891011133 /nfs/dbraw/zinc/01/11/33/891011133.db2.gz BVGKXKILTGKMSQ-UHFFFAOYSA-N 0 0 422.222 4.019 20 5 HIBDRN CC[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H](C)[S@@]1=O ZINC000476154243 891079446 /nfs/dbraw/zinc/07/94/46/891079446.db2.gz MBXJGBPZAFKNEC-SIIQEZSYSA-N 0 0 417.487 4.150 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000504800522 913524785 /nfs/dbraw/zinc/52/47/85/913524785.db2.gz ITLPSHKPDRKJAF-AWEZNQCLSA-N 0 0 410.199 4.060 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000504802822 913526368 /nfs/dbraw/zinc/52/63/68/913526368.db2.gz VOKWWCQGEKLJAA-HNNXBMFYSA-N 0 0 406.236 4.311 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000476315756 891224046 /nfs/dbraw/zinc/22/40/46/891224046.db2.gz KKPXQRPYONFBKN-GOSISDBHSA-N 0 0 414.481 4.323 20 5 HIBDRN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000476327446 891234214 /nfs/dbraw/zinc/23/42/14/891234214.db2.gz OGAZRBMKKKFAJC-UHFFFAOYSA-N 0 0 416.437 4.085 20 5 HIBDRN Cc1c(NC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cccc1[N+](=O)[O-] ZINC000476377874 891293564 /nfs/dbraw/zinc/29/35/64/891293564.db2.gz LCNLULBDHMJCGC-IRXDYDNUSA-N 0 0 410.257 4.332 20 5 HIBDRN Cc1ccc(-n2c(SCc3c([N+](=O)[O-])ncn3C)nnc2-c2cccc(C)c2)cc1 ZINC000476470712 891382708 /nfs/dbraw/zinc/38/27/08/891382708.db2.gz KGPTXOMQONVUMV-UHFFFAOYSA-N 0 0 420.498 4.485 20 5 HIBDRN COc1ccc(CNc2nnc(SCc3ccc([N+](=O)[O-])cc3F)s2)cc1 ZINC000476506436 891419401 /nfs/dbraw/zinc/41/94/01/891419401.db2.gz LWFITVBSJYFVOY-UHFFFAOYSA-N 0 0 406.464 4.498 20 5 HIBDRN N#CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(F)c(Br)c1 ZINC000476539489 891451818 /nfs/dbraw/zinc/45/18/18/891451818.db2.gz FXEAEQDJLRIHCS-UHFFFAOYSA-N 0 0 418.182 4.034 20 5 HIBDRN O=C(NC[C@@H]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000476554568 891472626 /nfs/dbraw/zinc/47/26/26/891472626.db2.gz XTEQBJOPYMCDAP-IUODEOHRSA-N 0 0 406.891 4.290 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000476561014 891479388 /nfs/dbraw/zinc/47/93/88/891479388.db2.gz AMQGAMZVILIUQK-GOSISDBHSA-N 0 0 403.504 4.023 20 5 HIBDRN CCCN([C@H]1CCCc2cccnc21)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000476581832 891507728 /nfs/dbraw/zinc/50/77/28/891507728.db2.gz OQWVSDIKNWQESB-SFHVURJKSA-N 0 0 403.504 4.085 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000476642141 891581683 /nfs/dbraw/zinc/58/16/83/891581683.db2.gz HZMDPWMLEZQBKL-UKRRQHHQSA-N 0 0 410.396 4.193 20 5 HIBDRN CC(C)c1cccc2c1CCN(C(=O)COc1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000476805611 891791915 /nfs/dbraw/zinc/79/19/15/891791915.db2.gz KOJHTNLEGRUADA-UHFFFAOYSA-N 0 0 405.454 4.230 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(CCc1ccc(F)cc1)C1CC1 ZINC000476829090 891810867 /nfs/dbraw/zinc/81/08/67/891810867.db2.gz MGWWLIANVOVKGH-UHFFFAOYSA-N 0 0 421.266 4.273 20 5 HIBDRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000476993661 891919593 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ZOWOQLFZBILUSG-UHFFFAOYSA-N 0 0 412.453 4.109 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1nc(-c2cccs2)c[nH]1 ZINC000477173668 892094550 /nfs/dbraw/zinc/09/45/50/892094550.db2.gz FYLSZEMXPAQPBT-UHFFFAOYSA-N 0 0 408.892 4.108 20 5 HIBDRN Cc1nc([C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c2ccc(Cl)cc2)no1 ZINC000477191957 892115521 /nfs/dbraw/zinc/11/55/21/892115521.db2.gz UCRUAOMKCZOKGD-QGZVFWFLSA-N 0 0 415.837 4.468 20 5 HIBDRN CCOCCOc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000477209973 892141595 /nfs/dbraw/zinc/14/15/95/892141595.db2.gz WZZQMTAWLRBJIW-ZDUSSCGKSA-N 0 0 407.854 4.103 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000477238220 892181886 /nfs/dbraw/zinc/18/18/86/892181886.db2.gz WQYZUIVSFXKLIT-OAHLLOKOSA-N 0 0 421.419 4.286 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000477282741 892235852 /nfs/dbraw/zinc/23/58/52/892235852.db2.gz PIIOKFMSDPYIJF-GOSISDBHSA-N 0 0 407.239 4.306 20 5 HIBDRN 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ZINC000504923898 913660943 /nfs/dbraw/zinc/66/09/43/913660943.db2.gz LUYDIMQOFBCFOM-ZFWWWQNUSA-N 0 0 404.850 4.040 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(Cl)cc1 ZINC000477497152 892501986 /nfs/dbraw/zinc/50/19/86/892501986.db2.gz AXQZNYHDICZRJP-HNNXBMFYSA-N 0 0 402.790 4.029 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCCc3ccc(F)cc32)c([N+](=O)[O-])cc1OC(F)F ZINC000477506437 892514507 /nfs/dbraw/zinc/51/45/07/892514507.db2.gz UXTURVJDKUPOPO-AWEZNQCLSA-N 0 0 410.348 4.151 20 5 HIBDRN Cc1ccc(-c2cccnc2)cc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000477517032 892534141 /nfs/dbraw/zinc/53/41/41/892534141.db2.gz VQLNOBJHARPMRH-UHFFFAOYSA-N 0 0 400.394 4.471 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000477614672 892710305 /nfs/dbraw/zinc/71/03/05/892710305.db2.gz DZQJNOYOHYYEBN-UHFFFAOYSA-N 0 0 410.817 4.456 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCN(c4cncc5ccccc54)CC3)co2)cc1 ZINC000477657227 892789912 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LKMIHYRJWZMYHX-XIKOKIGWSA-N 0 0 422.268 4.368 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000477827127 892891223 /nfs/dbraw/zinc/89/12/23/892891223.db2.gz UJWDIXNBWNNLSF-ACJLOTCBSA-N 0 0 422.268 4.368 20 5 HIBDRN Cc1cn(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c(=O)[nH]1 ZINC000477833463 892895581 /nfs/dbraw/zinc/89/55/81/892895581.db2.gz TZQFKLPCLWINQW-UHFFFAOYSA-N 0 0 406.320 4.066 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCOC(C)(C)[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000477983616 893083081 /nfs/dbraw/zinc/08/30/81/893083081.db2.gz JUSZKPNRMZCYIN-GFCCVEGCSA-N 0 0 407.517 4.150 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCOC(C)(C)[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000477983617 893083841 /nfs/dbraw/zinc/08/38/41/893083841.db2.gz JUSZKPNRMZCYIN-LBPRGKRZSA-N 0 0 407.517 4.150 20 5 HIBDRN Cc1n[nH]c(C(=O)N[C@](C)(CC(C)C)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000478002603 893109424 /nfs/dbraw/zinc/10/94/24/893109424.db2.gz LWIFMLIORVXPRZ-QGZVFWFLSA-N 0 0 409.284 4.080 20 5 HIBDRN O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000478077297 893242070 /nfs/dbraw/zinc/24/20/70/893242070.db2.gz DUAKYEQROGPEEM-UHFFFAOYSA-N 0 0 408.483 4.265 20 5 HIBDRN COC(=O)c1cc(F)cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1F ZINC000478103926 893270017 /nfs/dbraw/zinc/27/00/17/893270017.db2.gz TZYPQPYTNYOBRP-UHFFFAOYSA-N 0 0 419.365 4.035 20 5 HIBDRN NC(=O)Nc1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)ccc1F ZINC000478121310 893291839 /nfs/dbraw/zinc/29/18/39/893291839.db2.gz QEEYSONUGCKARZ-UHFFFAOYSA-N 0 0 423.404 4.089 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000478129490 893302287 /nfs/dbraw/zinc/30/22/87/893302287.db2.gz UHUGQZLPGSPBRS-UHFFFAOYSA-N 0 0 405.454 4.192 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@@H](c4ccc(F)cc4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000478180221 893344219 /nfs/dbraw/zinc/34/42/19/893344219.db2.gz WEHLFGXRTAKMEQ-HXUWFJFHSA-N 0 0 422.460 4.225 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000478193695 893355833 /nfs/dbraw/zinc/35/58/33/893355833.db2.gz BUHDQMXXPOGNHB-CYBMUJFWSA-N 0 0 412.339 4.305 20 5 HIBDRN Cc1nc(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc1C ZINC000478196703 893359349 /nfs/dbraw/zinc/35/93/49/893359349.db2.gz KPKCHFUJJVQSJY-UHFFFAOYSA-N 0 0 419.450 4.138 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(-c3ccc(F)cc3I)n2)c1 ZINC000505018001 913760462 /nfs/dbraw/zinc/76/04/62/913760462.db2.gz DJSICKZHKOANBP-UHFFFAOYSA-N 0 0 411.130 4.056 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Nc2cc(Cl)c(Cl)cc2OC)c([N+](=O)[O-])c1 ZINC000478259712 893442328 /nfs/dbraw/zinc/44/23/28/893442328.db2.gz XASSXHBZMHJCRF-SECBINFHSA-N 0 0 414.245 4.358 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000478261869 893447172 /nfs/dbraw/zinc/44/71/72/893447172.db2.gz SNROENFNAZJGOJ-WBVHZDCISA-N 0 0 409.417 4.113 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)cc([N+](=O)[O-])c1 ZINC000478262897 893447956 /nfs/dbraw/zinc/44/79/56/893447956.db2.gz ZXDXENMQQMLUOX-UHFFFAOYSA-N 0 0 416.861 4.445 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000478261857 893448106 /nfs/dbraw/zinc/44/81/06/893448106.db2.gz SNROENFNAZJGOJ-DOTOQJQBSA-N 0 0 409.417 4.113 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)CCc1cccc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC000505039566 913778562 /nfs/dbraw/zinc/77/85/62/913778562.db2.gz PSGUIISQVFUVAO-KRWDZBQOSA-N 0 0 420.412 4.005 20 5 HIBDRN O=C1C[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)CN1c1cc(Cl)cc(Cl)c1 ZINC000505043962 913783571 /nfs/dbraw/zinc/78/35/71/913783571.db2.gz JPPCGOUEZIXPCC-NSHDSACASA-N 0 0 419.224 4.472 20 5 HIBDRN CCn1c(Sc2ccc([N+](=O)[O-])cc2Br)nnc1-c1ccncc1 ZINC000478356267 893606454 /nfs/dbraw/zinc/60/64/54/893606454.db2.gz NDMCCQUIDZXWHY-UHFFFAOYSA-N 0 0 406.265 4.182 20 5 HIBDRN Cc1c(CNC(=O)NCCc2nc3cc(Cl)ccc3s2)cccc1[N+](=O)[O-] ZINC000478393755 893674212 /nfs/dbraw/zinc/67/42/12/893674212.db2.gz PYSOZJBHEQMCGM-UHFFFAOYSA-N 0 0 404.879 4.208 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000478406835 893693574 /nfs/dbraw/zinc/69/35/74/893693574.db2.gz NNTUAEGNHGILRK-UHFFFAOYSA-N 0 0 418.247 4.349 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000478436235 893736206 /nfs/dbraw/zinc/73/62/06/893736206.db2.gz QOXHFIKMYZXDFF-UHFFFAOYSA-N 0 0 404.220 4.490 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2nccs2)c2ccccc2)cc1SC ZINC000505063315 913801136 /nfs/dbraw/zinc/80/11/36/913801136.db2.gz OPBFYZFUJYUWFT-KRWDZBQOSA-N 0 0 415.496 4.301 20 5 HIBDRN Cc1cc(C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000478474986 893801910 /nfs/dbraw/zinc/80/19/10/893801910.db2.gz UKLAQIXWMOXNSJ-CQSZACIVSA-N 0 0 402.756 4.039 20 5 HIBDRN CSc1cccc(C(=O)NCCc2cccc(OCC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000478525357 893830265 /nfs/dbraw/zinc/83/02/65/893830265.db2.gz AFKVVJSABKFXCG-UHFFFAOYSA-N 0 0 414.405 4.230 20 5 HIBDRN O=C(NCc1ncoc1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000478580580 893858964 /nfs/dbraw/zinc/85/89/64/893858964.db2.gz DVWMGEYDAALHNZ-UHFFFAOYSA-N 0 0 404.329 4.173 20 5 HIBDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000505092415 913813478 /nfs/dbraw/zinc/81/34/78/913813478.db2.gz INUHJHYXUIFLTK-VXGBXAGGSA-N 0 0 416.259 4.144 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(OC)c(OC)c(C)c1OC ZINC000478613599 893876159 /nfs/dbraw/zinc/87/61/59/893876159.db2.gz YJVAQUHUUGFXBT-HNNXBMFYSA-N 0 0 402.447 4.136 20 5 HIBDRN COc1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1OC1CCCC1 ZINC000478623247 893881008 /nfs/dbraw/zinc/88/10/08/893881008.db2.gz QPIOMOAGVLSCRR-UHFFFAOYSA-N 0 0 413.474 4.233 20 5 HIBDRN CCCCn1ccnc1-c1cccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC000478637763 893890032 /nfs/dbraw/zinc/89/00/32/893890032.db2.gz YBIQTHZJAYLYCW-UHFFFAOYSA-N 0 0 422.441 4.297 20 5 HIBDRN CCc1cc(Br)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000478639630 893890580 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410.405 4.229 20 5 HIBDRN Cc1c([C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2C)cnn1-c1ccc(F)cc1 ZINC000478817770 894090627 /nfs/dbraw/zinc/09/06/27/894090627.db2.gz RTMAUBPVEJCSJP-CQSZACIVSA-N 0 0 411.437 4.097 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C12CCCCC2 ZINC000478852180 894130465 /nfs/dbraw/zinc/13/04/65/894130465.db2.gz VOWSOCCAIGISQF-NHCUHLMSSA-N 0 0 415.534 4.055 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(C)(C)C2=CCCCC2)ccc1[N+](=O)[O-] ZINC000478917542 894197757 /nfs/dbraw/zinc/19/77/57/894197757.db2.gz MURKEBSUFNFTMV-FQEVSTJZSA-N 0 0 413.518 4.151 20 5 HIBDRN Cc1cc(Br)cc(C)c1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000478927964 894210012 /nfs/dbraw/zinc/21/00/12/894210012.db2.gz HBVBJHZKILRXNO-UHFFFAOYSA-N 0 0 402.248 4.385 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000478935084 894217099 /nfs/dbraw/zinc/21/70/99/894217099.db2.gz LAMHGBIERFXKFC-UHFFFAOYSA-N 0 0 412.870 4.398 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1OCC ZINC000478981197 894257656 /nfs/dbraw/zinc/25/76/56/894257656.db2.gz IJNVZAUOXPPMIG-OAHLLOKOSA-N 0 0 424.457 4.069 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000479073470 894338012 /nfs/dbraw/zinc/33/80/12/894338012.db2.gz DNOHFLHZTFTISK-CQSZACIVSA-N 0 0 404.430 4.228 20 5 HIBDRN COc1cc(OCC(=O)N(c2cccc(C(F)(F)F)c2)C(C)C)ccc1[N+](=O)[O-] ZINC000479081191 894347385 /nfs/dbraw/zinc/34/73/85/894347385.db2.gz XZXVRUIJCRBNRB-UHFFFAOYSA-N 0 0 412.364 4.443 20 5 HIBDRN CCOc1cc(C(=O)N(C)[C@@H]2CCCc3nc(CC)sc32)c([N+](=O)[O-])cc1OC ZINC000479087037 894353402 /nfs/dbraw/zinc/35/34/02/894353402.db2.gz YZDVKQWWCYCWDA-CQSZACIVSA-N 0 0 419.503 4.171 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)cc([N+](=O)[O-])c1C ZINC000479103188 894368628 /nfs/dbraw/zinc/36/86/28/894368628.db2.gz VHWZLHZKSFCFPD-MUUNZHRXSA-N 0 0 404.488 4.211 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c(F)cc(F)cc2Br)cc1C ZINC000479146758 894414936 /nfs/dbraw/zinc/41/49/36/894414936.db2.gz GWVXJMALPZXICO-UHFFFAOYSA-N 0 0 421.219 4.053 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000505186627 913869859 /nfs/dbraw/zinc/86/98/59/913869859.db2.gz YNZOKZKJVLSFCD-PNHOKKKMSA-N 0 0 416.499 4.396 20 5 HIBDRN CC(C)(NC(=O)Cc1ccc(OCc2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000505188606 913871306 /nfs/dbraw/zinc/87/13/06/913871306.db2.gz DOECWMFHQULAEX-UHFFFAOYSA-N 0 0 405.454 4.163 20 5 HIBDRN Cc1ccc([C@H]2NC(=O)N(Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2=O)cc1C ZINC000479200292 894464540 /nfs/dbraw/zinc/46/45/40/894464540.db2.gz QTBYIARHCBGOCG-MRXNPFEDSA-N 0 0 407.348 4.024 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000479206190 894470410 /nfs/dbraw/zinc/47/04/10/894470410.db2.gz GAQLRYKRQHZYTA-SNVBAGLBSA-N 0 0 419.894 4.062 20 5 HIBDRN Cn1cc(C(=O)NCCCCc2ccc(F)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479261644 894531317 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UVXFAHQGVSENFW-UHFFFAOYSA-N 0 0 400.391 4.068 20 5 HIBDRN CC(=O)Nc1sc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000479355891 894652907 /nfs/dbraw/zinc/65/29/07/894652907.db2.gz FPCYEEJSEWJOBZ-UHFFFAOYSA-N 0 0 400.391 4.068 20 5 HIBDRN C[C@@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C(F)(F)F ZINC000479362979 894662100 /nfs/dbraw/zinc/66/21/00/894662100.db2.gz FTSLRXTUGUAWRX-ZETCQYMHSA-N 0 0 411.167 4.016 20 5 HIBDRN CC(C)(CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000479368566 894668245 /nfs/dbraw/zinc/66/82/45/894668245.db2.gz WDDGAHAAFQXTLI-UHFFFAOYSA-N 0 0 401.307 4.120 20 5 HIBDRN COc1cc(C2(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CCC2)ccc1C ZINC000479371089 894672005 /nfs/dbraw/zinc/67/20/05/894672005.db2.gz FSIXEHMORCKKEU-UHFFFAOYSA-N 0 0 402.878 4.346 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](CC1CCC1)c1ccccc1 ZINC000479375222 894676694 /nfs/dbraw/zinc/67/66/94/894676694.db2.gz CNZKZRXDXACGNJ-LJQANCHMSA-N 0 0 423.469 4.331 20 5 HIBDRN 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QCKSAALLVLDSAF-UHFFFAOYSA-N 0 0 420.425 4.011 20 5 HIBDRN CNC(=O)c1cc(Oc2cc(NC(=O)c3cccc([N+](=O)[O-])c3C)ccc2C)ccn1 ZINC000481201530 896555268 /nfs/dbraw/zinc/55/52/68/896555268.db2.gz RISYAFMIYLBOGR-UHFFFAOYSA-N 0 0 420.425 4.011 20 5 HIBDRN COc1ccccc1N1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000505415581 914078535 /nfs/dbraw/zinc/07/85/35/914078535.db2.gz PBUMUSBLWHBVQG-UHFFFAOYSA-N 0 0 410.499 4.049 20 5 HIBDRN CCN(C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)c1ccccc1 ZINC000481335727 896698380 /nfs/dbraw/zinc/69/83/80/896698380.db2.gz IIDLMYDJNPYWIT-UHFFFAOYSA-N 0 0 411.487 4.018 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1CSc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC000481344716 896714129 /nfs/dbraw/zinc/71/41/29/896714129.db2.gz UADYRCCLSBVLQQ-UHFFFAOYSA-N 0 0 411.418 4.321 20 5 HIBDRN CC[C@H](NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)c1nc(C(F)(F)F)cs1 ZINC000481373289 896766458 /nfs/dbraw/zinc/76/64/58/896766458.db2.gz NJMJLBYOVNOYMW-NSHDSACASA-N 0 0 423.438 4.117 20 5 HIBDRN COC(=O)c1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cc1 ZINC000481421013 896823843 /nfs/dbraw/zinc/82/38/43/896823843.db2.gz ZTZINBMZHPNTDB-HNNXBMFYSA-N 0 0 402.756 4.428 20 5 HIBDRN Cc1c(CNC(=O)COc2ccccc2OCc2ccccc2)cccc1[N+](=O)[O-] ZINC000481468409 896858833 /nfs/dbraw/zinc/85/88/33/896858833.db2.gz VLPRTRVRMVANPI-UHFFFAOYSA-N 0 0 406.438 4.177 20 5 HIBDRN Cc1c(CNC(=O)c2occc2CN2c3ccccc3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000481469311 896859813 /nfs/dbraw/zinc/85/98/13/896859813.db2.gz TZWJDEDQXZOERR-OAHLLOKOSA-N 0 0 405.454 4.377 20 5 HIBDRN Cc1ccc(-n2ncc(C(=O)NCc3cccc([N+](=O)[O-])c3C)c2C(F)(F)F)cc1 ZINC000481471857 896860791 /nfs/dbraw/zinc/86/07/91/896860791.db2.gz BRYWFTSIBZAUHT-UHFFFAOYSA-N 0 0 418.375 4.346 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000481488632 896869212 /nfs/dbraw/zinc/86/92/12/896869212.db2.gz WEDMAWIKQLQTPB-CTYIDZIISA-N 0 0 407.239 4.101 20 5 HIBDRN CCn1c(SCC(=O)COc2ccccc2)nc2cc3ccccc3cc2c1=O ZINC000505443248 914106343 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OQSSYLIKOVSASJ-CQSZACIVSA-N 0 0 423.425 4.215 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(N2CCCCC2=O)c1 ZINC000481666589 897050191 /nfs/dbraw/zinc/05/01/91/897050191.db2.gz FDZCTKSNRWCELC-UHFFFAOYSA-N 0 0 416.865 4.129 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000481683107 897065550 /nfs/dbraw/zinc/06/55/50/897065550.db2.gz IBSRZWMBWHSFSL-LHSJRXKWSA-N 0 0 415.877 4.097 20 5 HIBDRN CN(Cc1ccc(F)cc1Br)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000481691639 897076663 /nfs/dbraw/zinc/07/66/63/897076663.db2.gz WUMMJVHUPVFORW-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000481693531 897079166 /nfs/dbraw/zinc/07/91/66/897079166.db2.gz SVMMCJIEVSMWSK-IVZQSRNASA-N 0 0 406.442 4.227 20 5 HIBDRN Cc1ccc(NC(=O)c2nnc(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 ZINC000505456956 914126828 /nfs/dbraw/zinc/12/68/28/914126828.db2.gz GLHITUPZPURWCL-CQSZACIVSA-N 0 0 411.487 4.166 20 5 HIBDRN COc1cc(OC[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000481715092 897106379 /nfs/dbraw/zinc/10/63/79/897106379.db2.gz WLOQCPIVSMVNKX-NTKDMRAZSA-N 0 0 423.465 4.458 20 5 HIBDRN Cc1onc(-c2ccncc2)c1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000481802746 897179245 /nfs/dbraw/zinc/17/92/45/897179245.db2.gz DHZPHIWIMZOZNJ-UHFFFAOYSA-N 0 0 407.411 4.329 20 5 HIBDRN CC(=O)c1ccc(Sc2nnc(-c3ccccn3)n2Cc2ccco2)c([N+](=O)[O-])c1 ZINC000481822377 897193149 /nfs/dbraw/zinc/19/31/49/897193149.db2.gz GRKKVLHSKMQVFZ-UHFFFAOYSA-N 0 0 421.438 4.243 20 5 HIBDRN COc1cc(CNc2cn(C)nc2C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000481825040 897195322 /nfs/dbraw/zinc/19/53/22/897195322.db2.gz NXUDNGJUVBKRKP-UHFFFAOYSA-N 0 0 402.373 4.014 20 5 HIBDRN Cc1cccc(COc2c(C)cc(CN(C)C(=O)c3cc([N+](=O)[O-])nn3C)cc2C)c1 ZINC000481865906 897236082 /nfs/dbraw/zinc/23/60/82/897236082.db2.gz JMUUMCXQTRCXAH-UHFFFAOYSA-N 0 0 422.485 4.105 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000481880518 897252130 /nfs/dbraw/zinc/25/21/30/897252130.db2.gz VOSHEGPVFJLZGS-UHFFFAOYSA-N 0 0 410.455 4.043 20 5 HIBDRN COC(=O)c1cc(OCC(=O)c2ccc(OCc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000481898930 897276978 /nfs/dbraw/zinc/27/69/78/897276978.db2.gz LACRXMWCMOUQIP-UHFFFAOYSA-N 0 0 421.405 4.222 20 5 HIBDRN COc1c(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)cccc1[N+](=O)[O-] ZINC000481906318 897288409 /nfs/dbraw/zinc/28/84/09/897288409.db2.gz RLUCITIDFCEUQQ-UHFFFAOYSA-N 0 0 404.382 4.294 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1SC ZINC000481973766 897365829 /nfs/dbraw/zinc/36/58/29/897365829.db2.gz LGGJGUAQVDXDMW-CYBMUJFWSA-N 0 0 408.476 4.431 20 5 HIBDRN COC(=O)c1cc(OCc2csc(COc3ccc(F)cc3)n2)ccc1[N+](=O)[O-] ZINC000481984868 897378643 /nfs/dbraw/zinc/37/86/43/897378643.db2.gz OCEOTUMMYXZGAG-UHFFFAOYSA-N 0 0 418.402 4.135 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1SC ZINC000481999318 897395608 /nfs/dbraw/zinc/39/56/08/897395608.db2.gz PEDSKZFLRXVHMB-UHFFFAOYSA-N 0 0 416.377 4.154 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1[N+](=O)[O-] ZINC000505476592 914156638 /nfs/dbraw/zinc/15/66/38/914156638.db2.gz MUBUUSKOEWGKJL-UHFFFAOYSA-N 0 0 420.429 4.075 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(Cc1ccco1)Cc1ccccc1 ZINC000482017809 897420361 /nfs/dbraw/zinc/42/03/61/897420361.db2.gz UBKMDMHZVUOVAU-UHFFFAOYSA-N 0 0 402.410 4.216 20 5 HIBDRN NC(=O)NCc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000482043859 897464122 /nfs/dbraw/zinc/46/41/22/897464122.db2.gz HGEJZRLNRIGPRF-UHFFFAOYSA-N 0 0 400.822 4.289 20 5 HIBDRN CCc1ccc([C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CCO2)cc1 ZINC000482063272 897496305 /nfs/dbraw/zinc/49/63/05/897496305.db2.gz RFJVRQCIXVCNGL-GOSISDBHSA-N 0 0 419.275 4.133 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3F)co2)cc1SC ZINC000482118401 897570864 /nfs/dbraw/zinc/57/08/64/897570864.db2.gz CWXZNNXUWPTASF-UHFFFAOYSA-N 0 0 403.391 4.372 20 5 HIBDRN O=C(Nc1cc(Br)ccc1Br)c1ccc([N+](=O)[O-])s1 ZINC000482138157 897596754 /nfs/dbraw/zinc/59/67/54/897596754.db2.gz FKKXMKQPVDYVIS-UHFFFAOYSA-N 0 0 406.055 4.434 20 5 HIBDRN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000482155169 897617775 /nfs/dbraw/zinc/61/77/75/897617775.db2.gz RSMGEORPLPEPSS-UHFFFAOYSA-N 0 0 410.473 4.043 20 5 HIBDRN COc1ccc(C2(NCc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000505494904 914179970 /nfs/dbraw/zinc/17/99/70/914179970.db2.gz KZLCKEOPULOXCP-UHFFFAOYSA-N 0 0 408.401 4.035 20 5 HIBDRN O=C(NC[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1)c1ccccc1 ZINC000482212964 897693209 /nfs/dbraw/zinc/69/32/09/897693209.db2.gz LKATZYSHPUUCDB-HNNXBMFYSA-N 0 0 423.494 4.092 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[C@H]1c1ccccc1 ZINC000482305530 897803363 /nfs/dbraw/zinc/80/33/63/897803363.db2.gz VKZPJQTWCFSJQX-PKOBYXMFSA-N 0 0 404.470 4.436 20 5 HIBDRN Cc1cccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c1[N+](=O)[O-] ZINC000482340505 897846856 /nfs/dbraw/zinc/84/68/56/897846856.db2.gz ADYRBHFRAKWERB-UZUQRXQVSA-N 0 0 418.453 4.147 20 5 HIBDRN COCCC1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCCC1 ZINC000482481127 898059338 /nfs/dbraw/zinc/05/93/38/898059338.db2.gz SJWIANIANNPHIP-UHFFFAOYSA-N 0 0 406.526 4.258 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)o1 ZINC000482490050 898067920 /nfs/dbraw/zinc/06/79/20/898067920.db2.gz ODRURYLMDIVNJV-UHFFFAOYSA-N 0 0 406.320 4.478 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000482489089 898068449 /nfs/dbraw/zinc/06/84/49/898068449.db2.gz JNUGTEPRZPGVAD-QGZVFWFLSA-N 0 0 411.355 4.368 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)c1 ZINC000505527449 914220538 /nfs/dbraw/zinc/22/05/38/914220538.db2.gz UHSZQFCFVQEIEW-CYBMUJFWSA-N 0 0 421.469 4.114 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000482567833 898161992 /nfs/dbraw/zinc/16/19/92/898161992.db2.gz XXMWJGSFDKWVBQ-UHFFFAOYSA-N 0 0 421.457 4.063 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2Cc2cccc(C)c2)cc1SC ZINC000482570883 898165570 /nfs/dbraw/zinc/16/55/70/898165570.db2.gz DYQGATVRKPVFMX-UHFFFAOYSA-N 0 0 412.471 4.131 20 5 HIBDRN CCCCCn1nc(C)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000482585490 898181984 /nfs/dbraw/zinc/18/19/84/898181984.db2.gz RCPGOJORNQCFCH-UHFFFAOYSA-N 0 0 402.498 4.489 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ncccc2-n2cccn2)no1 ZINC000482586176 898183853 /nfs/dbraw/zinc/18/38/53/898183853.db2.gz VJJBOZSYLNQJBV-NSHDSACASA-N 0 0 412.793 4.019 20 5 HIBDRN CCS[C@H](C)c1noc(CN(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000482592083 898191136 /nfs/dbraw/zinc/19/11/36/898191136.db2.gz JIAZKHRLPVBZHH-QWHCGFSZSA-N 0 0 407.496 4.003 20 5 HIBDRN C[C@@H](Nc1ccc(-c2nc(Cc3cncs3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000482726895 898327080 /nfs/dbraw/zinc/32/70/80/898327080.db2.gz FHZBYCCSCFPGMT-GFCCVEGCSA-N 0 0 408.443 4.260 20 5 HIBDRN CCc1c(NC(=O)COc2cccc([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000482738844 898341013 /nfs/dbraw/zinc/34/10/13/898341013.db2.gz BUMRXTBZUAMFBO-UHFFFAOYSA-N 0 0 400.822 4.014 20 5 HIBDRN CCCCn1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1C(C)C ZINC000482742074 898345644 /nfs/dbraw/zinc/34/56/44/898345644.db2.gz ODDSNAYZJBYNRA-UHFFFAOYSA-N 0 0 406.508 4.052 20 5 HIBDRN Cc1nn(C)c(C(=O)N(C)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000482757602 898363807 /nfs/dbraw/zinc/36/38/07/898363807.db2.gz YDOUWOIDPGHDTN-SFHVURJKSA-N 0 0 416.840 4.291 20 5 HIBDRN Cc1noc(C)c1Cc1noc(-c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000482780428 898389083 /nfs/dbraw/zinc/38/90/83/898389083.db2.gz OLNNRWXQJMISOA-BETUJISGSA-N 0 0 411.462 4.323 20 5 HIBDRN C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)Oc1ccccc1Br ZINC000482799643 898407654 /nfs/dbraw/zinc/40/76/54/898407654.db2.gz PBFMZPSQOCGRBQ-LLVKDONJSA-N 0 0 418.247 4.036 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000482825400 898433457 /nfs/dbraw/zinc/43/34/57/898433457.db2.gz CPRVCDZCVRPVEQ-OAQYLSRUSA-N 0 0 422.547 4.287 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000505552119 914253204 /nfs/dbraw/zinc/25/32/04/914253204.db2.gz WLDYDNYOCUGYNO-UHFFFAOYSA-N 0 0 418.881 4.393 20 5 HIBDRN CC(C)c1nn(C)cc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000482918618 898537316 /nfs/dbraw/zinc/53/73/16/898537316.db2.gz STXKYXBSRMXINR-AWEZNQCLSA-N 0 0 408.462 4.272 20 5 HIBDRN COCCN(Cc1sccc1Br)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000482944111 898568461 /nfs/dbraw/zinc/56/84/61/898568461.db2.gz GXACHDNAEQWQMF-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN COCCN(Cc1sccc1Br)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000482955976 898585088 /nfs/dbraw/zinc/58/50/88/898585088.db2.gz FBQUNKUBTFQFCJ-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2C)C(C)C)cc1OC ZINC000482963325 898594402 /nfs/dbraw/zinc/59/44/02/898594402.db2.gz MAGDDAFMIIATNA-OAQYLSRUSA-N 0 0 416.474 4.064 20 5 HIBDRN COCCN(C[C@@H]1CC=CCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000483013614 898668638 /nfs/dbraw/zinc/66/86/38/898668638.db2.gz MTTIKYUQFPNCFG-OAHLLOKOSA-N 0 0 401.488 4.163 20 5 HIBDRN Cc1c(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000483025317 898685641 /nfs/dbraw/zinc/68/56/41/898685641.db2.gz ZLNKZBNCXUVIRA-NRFANRHFSA-N 0 0 423.448 4.284 20 5 HIBDRN CCN(Cc1ccccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)=O ZINC000483029521 898692295 /nfs/dbraw/zinc/69/22/95/898692295.db2.gz QNMPWAUGCGNLER-UHFFFAOYSA-N 0 0 410.474 4.160 20 5 HIBDRN COc1cc(C(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000483034400 898698646 /nfs/dbraw/zinc/69/86/46/898698646.db2.gz CAVYXHYHWBQVSW-FQEVSTJZSA-N 0 0 424.375 4.148 20 5 HIBDRN COc1cc(CN2[C@H](C)COC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505576149 914282160 /nfs/dbraw/zinc/28/21/60/914282160.db2.gz WMLVABNXYACPMQ-KDOFPFPSSA-N 0 0 422.428 4.209 20 5 HIBDRN COc1cc(CN[C@H](C)c2c(F)cccc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000505581420 914288881 /nfs/dbraw/zinc/28/88/81/914288881.db2.gz MRWABGNSWZCANT-SNVBAGLBSA-N 0 0 402.344 4.376 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@@H](CO)c3c(Cl)cccc3Cl)o2)c1 ZINC000483237203 898881348 /nfs/dbraw/zinc/88/13/48/898881348.db2.gz AXTCLUHAOVYDGG-INIZCTEOSA-N 0 0 422.268 4.422 20 5 HIBDRN CCOC(=O)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(O)c1 ZINC000483329443 898958084 /nfs/dbraw/zinc/95/80/84/898958084.db2.gz YKXPTDYVLDSBNM-FQEVSTJZSA-N 0 0 412.467 4.423 20 5 HIBDRN CCOC(=O)[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(O)c1 ZINC000483329444 898958126 /nfs/dbraw/zinc/95/81/26/898958126.db2.gz YKXPTDYVLDSBNM-HXUWFJFHSA-N 0 0 412.467 4.423 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000505601322 914306127 /nfs/dbraw/zinc/30/61/27/914306127.db2.gz FDSJMTBVUVZGEQ-UHFFFAOYSA-N 0 0 412.490 4.175 20 5 HIBDRN CCOC1CC2(C1)CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C2 ZINC000483385127 899019686 /nfs/dbraw/zinc/01/96/86/899019686.db2.gz VJRGFUHOPYOYHQ-UHFFFAOYSA-N 0 0 412.284 4.089 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1SC ZINC000483402287 899034989 /nfs/dbraw/zinc/03/49/89/899034989.db2.gz AGBFMGPVSHDHQG-INIZCTEOSA-N 0 0 416.499 4.147 20 5 HIBDRN Cc1ccc(NC(=O)c2nnc(CN(Cc3ccccc3[N+](=O)[O-])C3CC3)s2)cc1 ZINC000505612040 914316418 /nfs/dbraw/zinc/31/64/18/914316418.db2.gz UXRKZBMXQVHOGV-UHFFFAOYSA-N 0 0 423.498 4.172 20 5 HIBDRN Cc1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1C(=O)N(C)C(C)C ZINC000483560402 899217815 /nfs/dbraw/zinc/21/78/15/899217815.db2.gz JPPZQGWLWJRHTI-UHFFFAOYSA-N 0 0 412.490 4.090 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2nc3cc(F)c(F)cc3s2)cc1SC ZINC000483580951 899233018 /nfs/dbraw/zinc/23/30/18/899233018.db2.gz CUIIUKCMEHAFRT-UHFFFAOYSA-N 0 0 411.411 4.466 20 5 HIBDRN CCOC(=O)C(C)(C)n1cc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 ZINC000483585294 899236841 /nfs/dbraw/zinc/23/68/41/899236841.db2.gz PFQPRATZMWNCMZ-UHFFFAOYSA-N 0 0 402.454 4.135 20 5 HIBDRN COc1cc(CN(C)Cc2ccccc2F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000505630615 914331233 /nfs/dbraw/zinc/33/12/33/914331233.db2.gz CVPZZDSFPDHYGS-UHFFFAOYSA-N 0 0 402.344 4.316 20 5 HIBDRN Cc1c(CNC(=O)Nc2nnc(SCc3ccccc3)s2)cccc1[N+](=O)[O-] ZINC000483630542 899283546 /nfs/dbraw/zinc/28/35/46/899283546.db2.gz YRPOXYPCAYIXAF-UHFFFAOYSA-N 0 0 415.500 4.369 20 5 HIBDRN Cc1cccc(S(=O)(=O)N(Cc2c(F)cccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000505633467 914332935 /nfs/dbraw/zinc/33/29/35/914332935.db2.gz HNWWJOXBFNZWAN-UHFFFAOYSA-N 0 0 400.431 4.438 20 5 HIBDRN O=C(Nc1cccc(OCc2ccccn2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000483751049 899413148 /nfs/dbraw/zinc/41/31/48/899413148.db2.gz AYSAJRABJLQQKJ-UHFFFAOYSA-N 0 0 415.352 4.423 20 5 HIBDRN COc1cccc(Cl)c1-c1noc(C)c1C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000483803061 899478786 /nfs/dbraw/zinc/47/87/86/899478786.db2.gz DXVNVDFRQFKUSH-UHFFFAOYSA-N 0 0 401.806 4.497 20 5 HIBDRN Cc1ccc(Oc2ccccc2NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000483811881 899489507 /nfs/dbraw/zinc/48/95/07/899489507.db2.gz XLGKPCFEVAGTRV-UHFFFAOYSA-N 0 0 419.437 4.259 20 5 HIBDRN COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000483817718 899496215 /nfs/dbraw/zinc/49/62/15/899496215.db2.gz KWHVDFXBNLYLND-UHFFFAOYSA-N 0 0 402.794 4.176 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000483858519 899542435 /nfs/dbraw/zinc/54/24/35/899542435.db2.gz VWSUBOWNTRVRQZ-GFCCVEGCSA-N 0 0 408.252 4.255 20 5 HIBDRN C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000483905061 899574518 /nfs/dbraw/zinc/57/45/18/899574518.db2.gz ADNLIXHGKOSPFI-CYBMUJFWSA-N 0 0 418.906 4.317 20 5 HIBDRN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000483914211 899581267 /nfs/dbraw/zinc/58/12/67/899581267.db2.gz KOMIXALPVOJCEP-UHFFFAOYSA-N 0 0 416.821 4.425 20 5 HIBDRN CCOc1ccc(N(C(=O)c2cc([N+](=O)[O-])nn2C)c2nc3ccccc3s2)cc1 ZINC000483936035 899593827 /nfs/dbraw/zinc/59/38/27/899593827.db2.gz YFBCGJUZKNAXJO-UHFFFAOYSA-N 0 0 423.454 4.315 20 5 HIBDRN COCCN(C(=O)[C@H]1C[C@]1(C)C(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000483943188 899597395 /nfs/dbraw/zinc/59/73/95/899597395.db2.gz KIIUCAQGJFWXNQ-OXQOHEQNSA-N 0 0 403.504 4.380 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000483945989 899598811 /nfs/dbraw/zinc/59/88/11/899598811.db2.gz VJMZOHGNQNUUFR-CJNGLKHVSA-N 0 0 413.327 4.093 20 5 HIBDRN Cc1c(Br)scc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000483975350 899619757 /nfs/dbraw/zinc/61/97/57/899619757.db2.gz FPLCBANRPHGWJU-UHFFFAOYSA-N 0 0 407.249 4.165 20 5 HIBDRN Cc1csc(Sc2c(Cl)cccc2NC(=O)c2cc([N+](=O)[O-])nn2C)n1 ZINC000483989600 899630642 /nfs/dbraw/zinc/63/06/42/899630642.db2.gz UYHLYPIJMFKGOV-UHFFFAOYSA-N 0 0 409.880 4.150 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H](COc2ccccc2)C1 ZINC000505684610 914376538 /nfs/dbraw/zinc/37/65/38/914376538.db2.gz YELYIFVKSMDREN-LJQANCHMSA-N 0 0 412.489 4.082 20 5 HIBDRN O=C(NCCc1ccncc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000484268022 899842924 /nfs/dbraw/zinc/84/29/24/899842924.db2.gz REPFJGQUISGPJN-UHFFFAOYSA-N 0 0 410.861 4.228 20 5 HIBDRN Cc1nn([C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c(C)c1[N+](=O)[O-] ZINC000505695548 914385542 /nfs/dbraw/zinc/38/55/42/914385542.db2.gz VBJVSOJQXOGUKE-OAHLLOKOSA-N 0 0 421.295 4.156 20 5 HIBDRN COc1cc(CN[C@@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000484294584 899857452 /nfs/dbraw/zinc/85/74/52/899857452.db2.gz CAGSCESWFUGREB-OAHLLOKOSA-N 0 0 408.401 4.120 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000484327377 899881858 /nfs/dbraw/zinc/88/18/58/899881858.db2.gz FSNUOMXDIKNAFC-HNNXBMFYSA-N 0 0 418.490 4.228 20 5 HIBDRN O=C(Nc1ccc(N2CCCC2=O)c(F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000484334341 899886204 /nfs/dbraw/zinc/88/62/04/899886204.db2.gz OEGVIJFCUMSGQC-UHFFFAOYSA-N 0 0 412.421 4.057 20 5 HIBDRN COc1cc(C(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)c([N+](=O)[O-])cc1OC ZINC000484343711 899893175 /nfs/dbraw/zinc/89/31/75/899893175.db2.gz SUPFKAKEJLZRAE-QGZVFWFLSA-N 0 0 413.474 4.183 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484347238 899896886 /nfs/dbraw/zinc/89/68/86/899896886.db2.gz SZMXEFNYDLDDLS-QMTHXVAHSA-N 0 0 407.820 4.486 20 5 HIBDRN CCn1c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1-c1ccccc1OC ZINC000484502002 899992430 /nfs/dbraw/zinc/99/24/30/899992430.db2.gz NBLFZMWQGPTGSQ-UHFFFAOYSA-N 0 0 410.459 4.050 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000484517853 900006269 /nfs/dbraw/zinc/00/62/69/900006269.db2.gz TYAIFDVMUYXYDV-AWEZNQCLSA-N 0 0 409.533 4.182 20 5 HIBDRN COC(=O)c1cc(O[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000484562870 900035537 /nfs/dbraw/zinc/03/55/37/900035537.db2.gz BMMXFBQNKMTTKB-ZDUSSCGKSA-N 0 0 400.431 4.085 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1c2c(ccc1Cl)OCC2 ZINC000484579604 900045451 /nfs/dbraw/zinc/04/54/51/900045451.db2.gz AXMPNQXJRXMWHR-UHFFFAOYSA-N 0 0 404.853 4.382 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000484587407 900051772 /nfs/dbraw/zinc/05/17/72/900051772.db2.gz KGAXRDJPINBFJR-UHFFFAOYSA-N 0 0 419.260 4.057 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCCCOc2ccc(C)cc2)cc1SC ZINC000484590917 900054167 /nfs/dbraw/zinc/05/41/67/900054167.db2.gz JELJCUSTOLNCNK-UHFFFAOYSA-N 0 0 404.488 4.223 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCOc2cc(Cl)c(Cl)cc21 ZINC000484637016 900086540 /nfs/dbraw/zinc/08/65/40/900086540.db2.gz GLPOZLSMJGKCLJ-UHFFFAOYSA-N 0 0 419.224 4.127 20 5 HIBDRN Cc1c(CNC(=O)Nc2cc(F)cc(F)c2Br)cccc1[N+](=O)[O-] ZINC000484676032 900116560 /nfs/dbraw/zinc/11/65/60/900116560.db2.gz HIJZKOGPZKXPOK-UHFFFAOYSA-N 0 0 400.179 4.266 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000484700438 900135436 /nfs/dbraw/zinc/13/54/36/900135436.db2.gz HXKOUMMJGLAGPY-UHFFFAOYSA-N 0 0 406.876 4.498 20 5 HIBDRN Cc1nc2cc(Cl)c(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2s1 ZINC000484702014 900136855 /nfs/dbraw/zinc/13/68/55/900136855.db2.gz MIMREBCQIVORBQ-UHFFFAOYSA-N 0 0 419.846 4.119 20 5 HIBDRN Cc1ccc(F)c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1Br ZINC000484702062 900136937 /nfs/dbraw/zinc/13/69/37/900136937.db2.gz MVXRKIQIYDRSBO-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC(C(F)F)CC1 ZINC000484752875 900172258 /nfs/dbraw/zinc/17/22/58/900172258.db2.gz KKDJZMWGOQUQSH-UHFFFAOYSA-N 0 0 419.215 4.205 20 5 HIBDRN CCCOc1ccc(C(C)(C)NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000484800280 900204685 /nfs/dbraw/zinc/20/46/85/900204685.db2.gz VJNAJJGDCBZOPF-UHFFFAOYSA-N 0 0 416.474 4.456 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(CNc3ccc4ncccc4c3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000484803844 900208365 /nfs/dbraw/zinc/20/83/65/900208365.db2.gz FWOXCPJWBYEDSG-HZPDHXFCSA-N 0 0 420.469 4.005 20 5 HIBDRN Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cc2)n1 ZINC000484810076 900214839 /nfs/dbraw/zinc/21/48/39/900214839.db2.gz LQRFBYUKRMBLFL-UHFFFAOYSA-N 0 0 424.438 4.134 20 5 HIBDRN COc1c(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000484852135 900246503 /nfs/dbraw/zinc/24/65/03/900246503.db2.gz BDLVSNAFMWDZFD-UHFFFAOYSA-N 0 0 424.310 4.199 20 5 HIBDRN CCOc1cc(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)c([N+](=O)[O-])cc1OC ZINC000484887785 900272222 /nfs/dbraw/zinc/27/22/22/900272222.db2.gz RDCSPBMJXCYONQ-HNNXBMFYSA-N 0 0 418.421 4.173 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c([N+](=O)[O-])cc1OC ZINC000484887786 900272493 /nfs/dbraw/zinc/27/24/93/900272493.db2.gz RDCSPBMJXCYONQ-OAHLLOKOSA-N 0 0 418.421 4.173 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)CCCC3(C)C)cc1OC ZINC000484891744 900275313 /nfs/dbraw/zinc/27/53/13/900275313.db2.gz HYETVMSRXQNFJU-UHFFFAOYSA-N 0 0 405.476 4.325 20 5 HIBDRN CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000484933882 900305309 /nfs/dbraw/zinc/30/53/09/900305309.db2.gz HWWNQPVQKFRMAD-SECBINFHSA-N 0 0 418.397 4.083 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000484952692 900319153 /nfs/dbraw/zinc/31/91/53/900319153.db2.gz LUEXBYPUBXPBAA-UHFFFAOYSA-N 0 0 408.332 4.399 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)cc1 ZINC000485016051 900364439 /nfs/dbraw/zinc/36/44/39/900364439.db2.gz VTSXGQRZNOCRIX-QGZVFWFLSA-N 0 0 419.485 4.490 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCc2sccc2[C@H]1c1cccs1 ZINC000485042850 900377666 /nfs/dbraw/zinc/37/76/66/900377666.db2.gz DINUMNAMRJPONE-KRWDZBQOSA-N 0 0 414.464 4.234 20 5 HIBDRN COc1ccc(-c2nc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)sc2C)cc1 ZINC000485060561 900387937 /nfs/dbraw/zinc/38/79/37/900387937.db2.gz BVVLNSCMNOXYPH-UHFFFAOYSA-N 0 0 413.411 4.016 20 5 HIBDRN Cc1ccc(C=Cc2nc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n[nH]2)o1 ZINC000485099018 900407786 /nfs/dbraw/zinc/40/77/86/900407786.db2.gz GCSZYKZGRLKGRT-HJWRWDBZSA-N 0 0 410.415 4.127 20 5 HIBDRN CC(C)(C(=O)Nc1n[nH]c(-c2cc3ccccc3o2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000485112456 900417904 /nfs/dbraw/zinc/41/79/04/900417904.db2.gz HJRKSCQEWYFAQN-UHFFFAOYSA-N 0 0 409.377 4.182 20 5 HIBDRN CC(C)(C)Oc1cc(NCc2ccnc(OC3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000485122779 900428294 /nfs/dbraw/zinc/42/82/94/900428294.db2.gz PUMDVPWAFLCFTC-UHFFFAOYSA-N 0 0 401.463 4.337 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCOc1cccc2cccnc21 ZINC000485149737 900448674 /nfs/dbraw/zinc/44/86/74/900448674.db2.gz NBKUKONADRICJV-UHFFFAOYSA-N 0 0 411.483 4.454 20 5 HIBDRN CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000485166201 900464559 /nfs/dbraw/zinc/46/45/59/900464559.db2.gz POMFMZKPTDQRLG-UHFFFAOYSA-N 0 0 413.293 4.189 20 5 HIBDRN CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000485171743 900468945 /nfs/dbraw/zinc/46/89/45/900468945.db2.gz IVPBDANOBDXUKL-UHFFFAOYSA-N 0 0 413.293 4.189 20 5 HIBDRN C[C@H](NC(N)=O)c1noc(-c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 ZINC000485355669 900649719 /nfs/dbraw/zinc/64/97/19/900649719.db2.gz JFPCIMBIFNRLSE-VIFPVBQESA-N 0 0 419.850 4.179 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H]2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000485409372 900707873 /nfs/dbraw/zinc/70/78/73/900707873.db2.gz RSUFVGISTWJRNZ-ZDUSSCGKSA-N 0 0 418.396 4.460 20 5 HIBDRN CCOc1cc(C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000485415624 900713847 /nfs/dbraw/zinc/71/38/47/900713847.db2.gz YJAIWQQHZAFFQH-QGZVFWFLSA-N 0 0 412.364 4.378 20 5 HIBDRN CC(C)n1cnnc1C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485419358 900716854 /nfs/dbraw/zinc/71/68/54/900716854.db2.gz YJTAMOSUHLUZTC-UHFFFAOYSA-N 0 0 410.453 4.352 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)nc1-c1ccc(F)cc1 ZINC000485419583 900717226 /nfs/dbraw/zinc/71/72/26/900717226.db2.gz YUKPISIOTQPNTE-OAHLLOKOSA-N 0 0 408.437 4.175 20 5 HIBDRN COc1cccc(C2(NC(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC2)c1 ZINC000485426941 900724985 /nfs/dbraw/zinc/72/49/85/900724985.db2.gz APLHIOMTTNHGIF-UHFFFAOYSA-N 0 0 406.236 4.177 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000485432299 900729002 /nfs/dbraw/zinc/72/90/02/900729002.db2.gz BNBJKNRSZZTWKQ-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cccc(-c3cc(OC)cc(OC)c3)n2)cc1[N+](=O)[O-] ZINC000485446696 900742121 /nfs/dbraw/zinc/74/21/21/900742121.db2.gz PNEYWRLEGHSTDP-UHFFFAOYSA-N 0 0 423.425 4.325 20 5 HIBDRN Cc1ccc2c(c1)CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CCO2 ZINC000485459319 900754630 /nfs/dbraw/zinc/75/46/30/900754630.db2.gz YSMKTXTTXJFPFR-UHFFFAOYSA-N 0 0 406.236 4.092 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1[N+](=O)[O-] ZINC000485491310 900781633 /nfs/dbraw/zinc/78/16/33/900781633.db2.gz ONNBGEYSCRDDKW-NSHDSACASA-N 0 0 409.870 4.118 20 5 HIBDRN CSc1cccc(C(=O)NCc2cc3cc(Br)ccc3[nH]2)c1[N+](=O)[O-] ZINC000485498235 900786696 /nfs/dbraw/zinc/78/66/96/900786696.db2.gz RULVWCCOBNSGJW-UHFFFAOYSA-N 0 0 420.288 4.491 20 5 HIBDRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000485500777 900789197 /nfs/dbraw/zinc/78/91/97/900789197.db2.gz WJCCXXFXVLMVSU-UHFFFAOYSA-N 0 0 402.350 4.033 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C12CCCCC2 ZINC000485535574 900813654 /nfs/dbraw/zinc/81/36/54/900813654.db2.gz BGWSHQBKHIKXGU-RTBURBONSA-N 0 0 422.547 4.191 20 5 HIBDRN CSCc1cc(F)ccc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485568959 900837830 /nfs/dbraw/zinc/83/78/30/900837830.db2.gz LSVZINOPVBXPKF-UHFFFAOYSA-N 0 0 400.378 4.128 20 5 HIBDRN Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000485568031 900838208 /nfs/dbraw/zinc/83/82/08/900838208.db2.gz IHULHHVEGWYLPL-MSOLQXFVSA-N 0 0 413.474 4.004 20 5 HIBDRN NC(=O)c1ccc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000505826835 914483020 /nfs/dbraw/zinc/48/30/20/914483020.db2.gz SGICPGFFHZIWPF-CQSZACIVSA-N 0 0 421.297 4.106 20 5 HIBDRN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000485621655 900877396 /nfs/dbraw/zinc/87/73/96/900877396.db2.gz IMZLKJQKIFKPKH-KRWDZBQOSA-N 0 0 421.419 4.274 20 5 HIBDRN COc1cc(C(=O)Nc2c(F)cc(Br)cc2F)cc([N+](=O)[O-])c1C ZINC000485646140 900897714 /nfs/dbraw/zinc/89/77/14/900897714.db2.gz WVVMSDFGDSVSBF-UHFFFAOYSA-N 0 0 401.163 4.205 20 5 HIBDRN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc2ncsc2c1 ZINC000485674712 900925037 /nfs/dbraw/zinc/92/50/37/900925037.db2.gz QJSHWLFLJRTZGE-LBPRGKRZSA-N 0 0 408.439 4.009 20 5 HIBDRN CN1CCOc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc21 ZINC000485727912 900978570 /nfs/dbraw/zinc/97/85/70/900978570.db2.gz XQOOFNMIEGTIEH-UHFFFAOYSA-N 0 0 419.437 4.255 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000485734421 900987699 /nfs/dbraw/zinc/98/76/99/900987699.db2.gz PDSCGNGZJBDSHI-IBGZPJMESA-N 0 0 421.478 4.427 20 5 HIBDRN COc1cccc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000485759037 901016124 /nfs/dbraw/zinc/01/61/24/901016124.db2.gz MUTTVLYYVDSFHJ-UHFFFAOYSA-N 0 0 406.438 4.155 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000485763902 901020958 /nfs/dbraw/zinc/02/09/58/901020958.db2.gz DSQGYSNUHFGQNJ-HNNXBMFYSA-N 0 0 419.428 4.024 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(Cc2c(F)cccc2F)C2CC2)cc1SC ZINC000485767913 901025057 /nfs/dbraw/zinc/02/50/57/901025057.db2.gz FZUZCVIXZVCUKB-UHFFFAOYSA-N 0 0 408.426 4.408 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000485777141 901033206 /nfs/dbraw/zinc/03/32/06/901033206.db2.gz ZEYOKRSUSNATAE-LBPRGKRZSA-N 0 0 409.364 4.080 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N1CCO[C@H](C2CC2)C1 ZINC000485809428 901059409 /nfs/dbraw/zinc/05/94/09/901059409.db2.gz BYRWCNADXMPQFA-VQTJNVASSA-N 0 0 415.877 4.039 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000485825707 901073121 /nfs/dbraw/zinc/07/31/21/901073121.db2.gz OMUFJGSQWJDVFS-INIZCTEOSA-N 0 0 401.894 4.466 20 5 HIBDRN CC[C@H](C(=O)N1CCC(Nc2cc(OC)c(F)cc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000485840108 901085866 /nfs/dbraw/zinc/08/58/66/901085866.db2.gz JYOFEYCOPPSBIO-KRWDZBQOSA-N 0 0 415.465 4.339 20 5 HIBDRN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000485867236 901106458 /nfs/dbraw/zinc/10/64/58/901106458.db2.gz FYIDXDXWWXRWJG-INIZCTEOSA-N 0 0 416.499 4.147 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CCCO1 ZINC000485868832 901108589 /nfs/dbraw/zinc/10/85/89/901108589.db2.gz IQSPBAPAKRDFEH-AWEZNQCLSA-N 0 0 403.866 4.111 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCOc2ccc(Cl)cc21 ZINC000485880427 901116552 /nfs/dbraw/zinc/11/65/52/901116552.db2.gz ALWCEYZCOMVBRM-UHFFFAOYSA-N 0 0 403.641 4.111 20 5 HIBDRN COc1cccc(F)c1[C@@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485893287 901125511 /nfs/dbraw/zinc/12/55/11/901125511.db2.gz FUTFMUYKBCTDPM-SSDOTTSWSA-N 0 0 403.229 4.058 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000485920093 901145337 /nfs/dbraw/zinc/14/53/37/901145337.db2.gz UERNFJJRVULAQZ-UHFFFAOYSA-N 0 0 401.444 4.040 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)c1 ZINC000485919558 901145589 /nfs/dbraw/zinc/14/55/89/901145589.db2.gz AVXOVIWJVPHAQS-UHFFFAOYSA-N 0 0 412.833 4.184 20 5 HIBDRN Cc1noc2ncc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc12 ZINC000485923204 901148797 /nfs/dbraw/zinc/14/87/97/901148797.db2.gz JFDDRVFGDDZZEX-UHFFFAOYSA-N 0 0 404.382 4.271 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000485925244 901150672 /nfs/dbraw/zinc/15/06/72/901150672.db2.gz LNBSRIOTNMOBGJ-SFHLNBCPSA-N 0 0 400.500 4.083 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCN(CC2CC2)c2ccccc21 ZINC000485931140 901154424 /nfs/dbraw/zinc/15/44/24/901154424.db2.gz WQZHWMXFTUYSIP-UHFFFAOYSA-N 0 0 422.304 4.296 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000505864269 914511351 /nfs/dbraw/zinc/51/13/51/914511351.db2.gz KGQFGBOYLOTRTO-IPYPFGDCSA-N 0 0 416.396 4.072 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H](C)CSCc2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000485961398 901179112 /nfs/dbraw/zinc/17/91/12/901179112.db2.gz AOPXADXCTHNVTR-ZDUSSCGKSA-N 0 0 402.472 4.198 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)F)c(C)c([N+](=O)[O-])c1 ZINC000485981275 901200904 /nfs/dbraw/zinc/20/09/04/901200904.db2.gz OLFPQMBIICSECP-UONOGXRCSA-N 0 0 420.368 4.033 20 5 HIBDRN Cc1cscc1CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000485995431 901212841 /nfs/dbraw/zinc/21/28/41/901212841.db2.gz DJFPHXPVAIOHPL-UHFFFAOYSA-N 0 0 403.485 4.378 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)cc1[N+](=O)[O-] ZINC000505870955 914517874 /nfs/dbraw/zinc/51/78/74/914517874.db2.gz FLJITCGXOVWURB-UHFFFAOYSA-N 0 0 416.484 4.475 20 5 HIBDRN CC(=O)c1ccc(SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1F ZINC000486045188 901245835 /nfs/dbraw/zinc/24/58/35/901245835.db2.gz NFBIDEMGIPHKDR-UHFFFAOYSA-N 0 0 402.447 4.220 20 5 HIBDRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486047153 901247692 /nfs/dbraw/zinc/24/76/92/901247692.db2.gz UPGSLWCREOBHRZ-OAHLLOKOSA-N 0 0 407.474 4.424 20 5 HIBDRN O=C(c1ccccc1I)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486047271 901247744 /nfs/dbraw/zinc/24/77/44/901247744.db2.gz SYPHRKTZGCOYGS-UHFFFAOYSA-N 0 0 422.222 4.004 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486084689 901274689 /nfs/dbraw/zinc/27/46/89/901274689.db2.gz GSXWLMQVPHKVAM-UZUQRXQVSA-N 0 0 418.453 4.147 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000486104557 901291599 /nfs/dbraw/zinc/29/15/99/901291599.db2.gz WRTQDGKTSOJUDU-MOPGFXCFSA-N 0 0 410.470 4.063 20 5 HIBDRN COc1ccc(C(=O)C2CCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)cc1 ZINC000486123751 901310410 /nfs/dbraw/zinc/31/04/10/901310410.db2.gz DVSBJAJWJHOVCF-UHFFFAOYSA-N 0 0 414.483 4.060 20 5 HIBDRN Cc1cc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CCO2)ccc1F ZINC000486130357 901318127 /nfs/dbraw/zinc/31/81/27/901318127.db2.gz ANVBPOPVODDYIF-KRWDZBQOSA-N 0 0 412.339 4.275 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc2ccccc2n1CC(F)(F)F ZINC000486134703 901322316 /nfs/dbraw/zinc/32/23/16/901322316.db2.gz FRSBLTTZDOLYHJ-UHFFFAOYSA-N 0 0 407.348 4.050 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486147689 901334755 /nfs/dbraw/zinc/33/47/55/901334755.db2.gz VPTHOJWDJKBPPU-MRVPVSSYSA-N 0 0 415.313 4.170 20 5 HIBDRN CCCCO[C@H]1C[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1(C)C ZINC000486161458 901349236 /nfs/dbraw/zinc/34/92/36/901349236.db2.gz FFFYNQIXHGTDAA-QWRGUYRKSA-N 0 0 405.314 4.132 20 5 HIBDRN Cc1ccc([C@@H]2CCCN2c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 ZINC000486161868 901349324 /nfs/dbraw/zinc/34/93/24/901349324.db2.gz XVAISCODJPMJPL-SFHVURJKSA-N 0 0 410.861 4.444 20 5 HIBDRN CCCCO[C@H]1C[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1(C)C ZINC000486161456 901349419 /nfs/dbraw/zinc/34/94/19/901349419.db2.gz FFFYNQIXHGTDAA-MNOVXSKESA-N 0 0 405.314 4.132 20 5 HIBDRN COC[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000486176606 901362662 /nfs/dbraw/zinc/36/26/62/901362662.db2.gz IECZZDLEYRGHHQ-LJQANCHMSA-N 0 0 410.426 4.193 20 5 HIBDRN CSc1cccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c1[N+](=O)[O-] ZINC000486212035 901396088 /nfs/dbraw/zinc/39/60/88/901396088.db2.gz HETDULCPPFFDSN-UHFFFAOYSA-N 0 0 422.528 4.282 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)c1[N+](=O)[O-] ZINC000486217108 901400601 /nfs/dbraw/zinc/40/06/01/901400601.db2.gz BYKAWDIPDFMWRN-UHFFFAOYSA-N 0 0 401.488 4.326 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486235126 901417706 /nfs/dbraw/zinc/41/77/06/901417706.db2.gz SGCNEBRWUZTHJW-CYBMUJFWSA-N 0 0 406.529 4.484 20 5 HIBDRN CSc1cccc(C(=O)Nc2cc(Br)ccc2NC(C)=O)c1[N+](=O)[O-] ZINC000486238857 901420513 /nfs/dbraw/zinc/42/05/13/901420513.db2.gz DSSFUHGFEBRROI-UHFFFAOYSA-N 0 0 424.276 4.290 20 5 HIBDRN CSc1cccc(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)c1[N+](=O)[O-] ZINC000486249056 901432447 /nfs/dbraw/zinc/43/24/47/901432447.db2.gz GYYDBMGRKFWRJR-UHFFFAOYSA-N 0 0 401.488 4.231 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000486252308 901435935 /nfs/dbraw/zinc/43/59/35/901435935.db2.gz PJEUJJDCWWDITI-UGKGYDQZSA-N 0 0 420.469 4.422 20 5 HIBDRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC000486257831 901440908 /nfs/dbraw/zinc/44/09/08/901440908.db2.gz ZUMVOPIBLHRUDB-KRWDZBQOSA-N 0 0 416.499 4.147 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1ccccc1)C(F)(F)F ZINC000486298252 901479252 /nfs/dbraw/zinc/47/92/52/901479252.db2.gz ZAGJBGAATJVQTA-CQSZACIVSA-N 0 0 401.772 4.394 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc(Br)c(C)cc2C)cc1[N+](=O)[O-] ZINC000486330264 901507233 /nfs/dbraw/zinc/50/72/33/901507233.db2.gz UCNYBSDIZVHMHP-UHFFFAOYSA-N 0 0 408.252 4.304 20 5 HIBDRN COc1cc(CNc2cnc3ccccc3n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000486370793 901537450 /nfs/dbraw/zinc/53/74/50/901537450.db2.gz FHAALNOABHRBEA-UHFFFAOYSA-N 0 0 408.336 4.100 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1[N+](=O)[O-] ZINC000486413082 901571471 /nfs/dbraw/zinc/57/14/71/901571471.db2.gz WHUUTWJPYVRVJW-LLVKDONJSA-N 0 0 416.434 4.305 20 5 HIBDRN C[C@H]1COC[C@H](c2ccccc2)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486425297 901584217 /nfs/dbraw/zinc/58/42/17/901584217.db2.gz MWTVKBFHBRLIBR-GXFFZTMASA-N 0 0 411.277 4.021 20 5 HIBDRN Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nn1-c1ccccc1 ZINC000486461516 901621986 /nfs/dbraw/zinc/62/19/86/901621986.db2.gz OLMAUEKCHOXPCR-UHFFFAOYSA-N 0 0 407.249 4.165 20 5 HIBDRN CCOC(=O)c1ccnc(N[C@@H]2CSc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000486467401 901627589 /nfs/dbraw/zinc/62/75/89/901627589.db2.gz MKBLQSRDQICQFT-GFCCVEGCSA-N 0 0 424.276 4.188 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1NCc1ccnc(Oc2ccccc2F)c1 ZINC000486481213 901639576 /nfs/dbraw/zinc/63/95/76/901639576.db2.gz ULWOLIWBGBZBAS-UHFFFAOYSA-N 0 0 419.210 4.113 20 5 HIBDRN Cc1noc2ncc(NC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)cc12 ZINC000505909709 914552842 /nfs/dbraw/zinc/55/28/42/914552842.db2.gz NCJDMENEWOIQKO-STQMWFEESA-N 0 0 409.446 4.174 20 5 HIBDRN CSc1cccc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000486561359 901707135 /nfs/dbraw/zinc/70/71/35/901707135.db2.gz VUBYNTIDIVNBDF-WBVHZDCISA-N 0 0 404.463 4.448 20 5 HIBDRN Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc(OCCO)c1 ZINC000486593419 901732597 /nfs/dbraw/zinc/73/25/97/901732597.db2.gz ZLPJXEKZRRABLT-UHFFFAOYSA-N 0 0 422.437 4.106 20 5 HIBDRN Cc1cc(C)c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1Br ZINC000486597721 901735830 /nfs/dbraw/zinc/73/58/30/901735830.db2.gz DTIWLICALARTJO-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN COc1cc(CCNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000486638977 901769145 /nfs/dbraw/zinc/76/91/45/901769145.db2.gz SXXPPBZTPGCYJK-FQEVSTJZSA-N 0 0 420.893 4.364 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000486682171 901794482 /nfs/dbraw/zinc/79/44/82/901794482.db2.gz FROHANBTFHHLJS-UHFFFAOYSA-N 0 0 409.295 4.338 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2c(C)ccc2C)CC1 ZINC000486686397 901795647 /nfs/dbraw/zinc/79/56/47/901795647.db2.gz GYQMYAXWBQOJBC-UHFFFAOYSA-N 0 0 417.531 4.229 20 5 HIBDRN Cc1ccccc1-n1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000486700615 901801366 /nfs/dbraw/zinc/80/13/66/901801366.db2.gz JBFLFOUOKSFJBL-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN C[C@H]1[C@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1c1ccccc1 ZINC000486711072 901806465 /nfs/dbraw/zinc/80/64/65/901806465.db2.gz QQINLZYAEQQLIQ-SCLBCKFNSA-N 0 0 407.392 4.145 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000486710157 901806605 /nfs/dbraw/zinc/80/66/05/901806605.db2.gz ADVLNOCPRDNYHU-DOTOQJQBSA-N 0 0 400.500 4.352 20 5 HIBDRN C[C@@H]1[C@H](C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1c1ccccc1 ZINC000486711071 901806631 /nfs/dbraw/zinc/80/66/31/901806631.db2.gz QQINLZYAEQQLIQ-FZKQIMNGSA-N 0 0 407.392 4.145 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(OC2CCOCC2)cc1 ZINC000486747323 901826697 /nfs/dbraw/zinc/82/66/97/901826697.db2.gz SZPOGYYFKNHQSM-UHFFFAOYSA-N 0 0 424.375 4.101 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000486770631 901843477 /nfs/dbraw/zinc/84/34/77/901843477.db2.gz JHGSEFOARFYNDA-AWEZNQCLSA-N 0 0 419.279 4.066 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC000486770958 901843606 /nfs/dbraw/zinc/84/36/06/901843606.db2.gz OJXBYFQZYXLDCC-OAHLLOKOSA-N 0 0 404.426 4.042 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](c2cccc(F)c2)C1 ZINC000486773549 901844942 /nfs/dbraw/zinc/84/49/42/901844942.db2.gz MPNJOXXQJXXZLQ-AWEZNQCLSA-N 0 0 407.239 4.055 20 5 HIBDRN CCOc1cc(C(=O)Nc2cnn(-c3cccc(C)c3)c2CC)c([N+](=O)[O-])cc1OC ZINC000486844267 901891026 /nfs/dbraw/zinc/89/10/26/901891026.db2.gz UFWGEIOPWXATHX-UHFFFAOYSA-N 0 0 424.457 4.311 20 5 HIBDRN CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486868276 901913857 /nfs/dbraw/zinc/91/38/57/901913857.db2.gz NMHCNOLNECXEGX-KRWDZBQOSA-N 0 0 400.435 4.090 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(C)Cc2c(F)cccc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000486871916 901916669 /nfs/dbraw/zinc/91/66/69/901916669.db2.gz WYYPPPMKCGPXOM-UHFFFAOYSA-N 0 0 409.801 4.146 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H]2CCSc3c(F)cccc32)c(C)c([N+](=O)[O-])c1 ZINC000486874750 901919477 /nfs/dbraw/zinc/91/94/77/901919477.db2.gz OPSXQWKKSUNUSA-AWEZNQCLSA-N 0 0 419.434 4.188 20 5 HIBDRN O=C(NCCCOC[C@@H]1CCCO1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000486899224 901942794 /nfs/dbraw/zinc/94/27/94/901942794.db2.gz XGYLSNMAXWBETE-SFHVURJKSA-N 0 0 416.499 4.062 20 5 HIBDRN 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CCOCCOc1ccc(Br)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000490297026 903883947 /nfs/dbraw/zinc/88/39/47/903883947.db2.gz DZEMCLZNNUMSBD-UHFFFAOYSA-N 0 0 423.263 4.333 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490309143 903892297 /nfs/dbraw/zinc/89/22/97/903892297.db2.gz WCDFBAYPDYUKOZ-INIZCTEOSA-N 0 0 414.531 4.062 20 5 HIBDRN Cc1c(C(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490325707 903906235 /nfs/dbraw/zinc/90/62/35/903906235.db2.gz BZSXZXRKJOGFHM-ICSRJNTNSA-N 0 0 403.429 4.135 20 5 HIBDRN Cc1c(C(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000490325709 903906880 /nfs/dbraw/zinc/90/68/80/903906880.db2.gz BZSXZXRKJOGFHM-UYAOXDASSA-N 0 0 403.429 4.135 20 5 HIBDRN C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000490359196 903952241 /nfs/dbraw/zinc/95/22/41/903952241.db2.gz CLWGIBZBHAAASS-SECBINFHSA-N 0 0 402.398 4.366 20 5 HIBDRN CSc1nccn1-c1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000490370994 903963106 /nfs/dbraw/zinc/96/31/06/903963106.db2.gz QFSFAJHCYVEUAX-UHFFFAOYSA-N 0 0 408.483 4.307 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000490372831 903966215 /nfs/dbraw/zinc/96/62/15/903966215.db2.gz WWHLNJWMRLRYQS-LSDHHAIUSA-N 0 0 417.347 4.141 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1Cl ZINC000490376237 903969871 /nfs/dbraw/zinc/96/98/71/903969871.db2.gz XSTZLADQQPLIOK-UHFFFAOYSA-N 0 0 422.626 4.048 20 5 HIBDRN Cc1ccc(C)n1-c1nc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1 ZINC000490397012 903983014 /nfs/dbraw/zinc/98/30/14/903983014.db2.gz IXPDMWLGDZXYPK-UHFFFAOYSA-N 0 0 410.499 4.193 20 5 HIBDRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000490400214 903984504 /nfs/dbraw/zinc/98/45/04/903984504.db2.gz MSLMNJSPBRZCRJ-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCN(c2cccs2)CC1 ZINC000490403965 903988028 /nfs/dbraw/zinc/98/80/28/903988028.db2.gz XAOYQFFMDONIMN-UHFFFAOYSA-N 0 0 422.510 4.231 20 5 HIBDRN C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000490407092 903990967 /nfs/dbraw/zinc/99/09/67/903990967.db2.gz IYFLKERDGXLXHR-NSHDSACASA-N 0 0 407.268 4.048 20 5 HIBDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000490427303 904003710 /nfs/dbraw/zinc/00/37/10/904003710.db2.gz DRZFSKJXGQMFRR-AWEZNQCLSA-N 0 0 413.499 4.225 20 5 HIBDRN COc1cc(CNc2ccccc2O[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490550010 904094445 /nfs/dbraw/zinc/09/44/45/904094445.db2.gz WRPHRGYMXCDBEI-CQSZACIVSA-N 0 0 424.400 4.027 20 5 HIBDRN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H]1n1ccnc1 ZINC000490590417 904121864 /nfs/dbraw/zinc/12/18/64/904121864.db2.gz VTLIJMUYMDKWOT-HTAPYJJXSA-N 0 0 419.485 4.127 20 5 HIBDRN COc1ccc(Br)c(CC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000490680016 904169131 /nfs/dbraw/zinc/16/91/31/904169131.db2.gz FPMHQRFLYUPVNQ-LBPRGKRZSA-N 0 0 407.264 4.094 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)cc2[N+](=O)[O-])CC1 ZINC000490708802 904184515 /nfs/dbraw/zinc/18/45/15/904184515.db2.gz KMZBYGXMLQNJOS-UHFFFAOYSA-N 0 0 422.485 4.432 20 5 HIBDRN C[C@@H](Nc1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000490803138 904250523 /nfs/dbraw/zinc/25/05/23/904250523.db2.gz NSSSSJMJNNFZAY-KGLIPLIRSA-N 0 0 419.865 4.103 20 5 HIBDRN CCN(C(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1nc2ccccc2s1 ZINC000490816677 904263342 /nfs/dbraw/zinc/26/33/42/904263342.db2.gz DKQLUOULFXHMSR-UHFFFAOYSA-N 0 0 410.499 4.222 20 5 HIBDRN C[C@@H](Nc1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000490827214 904270213 /nfs/dbraw/zinc/27/02/13/904270213.db2.gz SIDVQIHGCQVZJJ-KGLIPLIRSA-N 0 0 419.865 4.103 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)C2)c1 ZINC000490827916 904272560 /nfs/dbraw/zinc/27/25/60/904272560.db2.gz OZPCPGJTYCKWNH-SFHVURJKSA-N 0 0 409.486 4.319 20 5 HIBDRN O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000490928319 904322620 /nfs/dbraw/zinc/32/26/20/904322620.db2.gz RDWUKFAFGYTOAE-KRWDZBQOSA-N 0 0 418.375 4.247 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)cc1[N+](=O)[O-] ZINC000490957517 904335749 /nfs/dbraw/zinc/33/57/49/904335749.db2.gz XFKJBKKILUDGFV-UHFFFAOYSA-N 0 0 404.394 4.340 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000491052286 904397096 /nfs/dbraw/zinc/39/70/96/904397096.db2.gz QAQWSDPGYWWFRS-UHFFFAOYSA-N 0 0 406.320 4.241 20 5 HIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCc2cccc(F)c21 ZINC000491068644 904409202 /nfs/dbraw/zinc/40/92/02/904409202.db2.gz NNTQSQUXLPRZGE-UHFFFAOYSA-N 0 0 421.215 4.429 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1S(=O)(=O)C1CCCC1 ZINC000491084349 904418209 /nfs/dbraw/zinc/41/82/09/904418209.db2.gz GJNWVFOBIAHJRK-UHFFFAOYSA-N 0 0 406.435 4.011 20 5 HIBDRN COc1cc(Br)c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1O ZINC000491105096 904429576 /nfs/dbraw/zinc/42/95/76/904429576.db2.gz ANZYDDBSACLKQK-UHFFFAOYSA-N 0 0 407.264 4.236 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[C@@]2(CCCOC2)C1 ZINC000491287670 904519281 /nfs/dbraw/zinc/51/92/81/904519281.db2.gz AFJOFJAOLOOBSJ-HSZRJFAPSA-N 0 0 409.486 4.240 20 5 HIBDRN CN(C)c1cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2ccccc2n1 ZINC000491333451 904542632 /nfs/dbraw/zinc/54/26/32/904542632.db2.gz PJMZMYSSUIMAGI-UHFFFAOYSA-N 0 0 419.485 4.083 20 5 HIBDRN O=C(CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1F ZINC000491357080 904554736 /nfs/dbraw/zinc/55/47/36/904554736.db2.gz VNZLSPMUJXYXAN-OAQYLSRUSA-N 0 0 415.371 4.330 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C(C)(C)c1ccc2c(c1)OCO2 ZINC000491411529 904584545 /nfs/dbraw/zinc/58/45/45/904584545.db2.gz XYQJHYMRBOSDQQ-ZDUSSCGKSA-N 0 0 402.472 4.198 20 5 HIBDRN CCC[C@]1(C(F)(F)F)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000491498891 904625986 /nfs/dbraw/zinc/62/59/86/904625986.db2.gz DUEPCWQAHATROD-CYBMUJFWSA-N 0 0 400.806 4.134 20 5 HIBDRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)CC3 ZINC000491507302 904627854 /nfs/dbraw/zinc/62/78/54/904627854.db2.gz IFQHFMFXHLYHAH-CQSZACIVSA-N 0 0 400.438 4.220 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2c[nH]c3ncccc23)c(C)s1 ZINC000506174971 914833550 /nfs/dbraw/zinc/83/35/50/914833550.db2.gz PMYIELDISWUXCD-UHFFFAOYSA-N 0 0 409.427 4.164 20 5 HIBDRN CCC[C@@]1(C(F)(F)F)CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000491759017 904693127 /nfs/dbraw/zinc/69/31/27/904693127.db2.gz GGSSISOATGGGTP-ZDUSSCGKSA-N 0 0 400.806 4.134 20 5 HIBDRN CCCN(Cc1ccc([N+](=O)[O-])cc1F)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000491857016 904712751 /nfs/dbraw/zinc/71/27/51/904712751.db2.gz NWSKDCOFJVVFAH-UHFFFAOYSA-N 0 0 404.829 4.448 20 5 HIBDRN CNC(=O)c1cccc(NCc2cc([N+](=O)[O-])ccc2OC(C)C)c1Br ZINC000506193646 914840777 /nfs/dbraw/zinc/84/07/77/914840777.db2.gz XKZLYGXJYGESJV-UHFFFAOYSA-N 0 0 422.279 4.116 20 5 HIBDRN COCc1ccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 ZINC000506206370 914844696 /nfs/dbraw/zinc/84/46/96/914844696.db2.gz UGSUSYYTQBTDRD-MRXNPFEDSA-N 0 0 420.469 4.239 20 5 HIBDRN Cc1[nH]nc2ncc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc12 ZINC000492182494 904810663 /nfs/dbraw/zinc/81/06/63/904810663.db2.gz QWTOQQZLQVCLQX-UHFFFAOYSA-N 0 0 402.414 4.039 20 5 HIBDRN COc1cc(CNCc2cnc3ccccc3c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492210884 904815754 /nfs/dbraw/zinc/81/57/54/904815754.db2.gz OXORGQCMZPHIAT-UHFFFAOYSA-N 0 0 403.385 4.085 20 5 HIBDRN CCOc1cc(CNc2cc(C(=O)N3CCSCC3)ccc2C)ccc1[N+](=O)[O-] ZINC000492393460 904841695 /nfs/dbraw/zinc/84/16/95/904841695.db2.gz DMEJNMJTZBWEFV-UHFFFAOYSA-N 0 0 415.515 4.103 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3c[nH]nc3-c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000492666437 904884493 /nfs/dbraw/zinc/88/44/93/904884493.db2.gz DPVMSOWXVPACLD-UHFFFAOYSA-N 0 0 416.441 4.099 20 5 HIBDRN CC(C)c1nc(-c2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000492693731 904889132 /nfs/dbraw/zinc/88/91/32/904889132.db2.gz YUNAXLNPEGEOLV-UHFFFAOYSA-N 0 0 420.473 4.356 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2c[nH]nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000492836232 904922271 /nfs/dbraw/zinc/92/22/71/904922271.db2.gz MXYZXMWJHCEKPD-UHFFFAOYSA-N 0 0 401.220 4.308 20 5 HIBDRN O=C(NCc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)C1CCCC1 ZINC000492875004 904934833 /nfs/dbraw/zinc/93/48/33/904934833.db2.gz RCWCUKPUXPBMCP-UHFFFAOYSA-N 0 0 421.497 4.206 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000493079748 905012633 /nfs/dbraw/zinc/01/26/33/905012633.db2.gz NDFZGPDFCYQJDG-INIZCTEOSA-N 0 0 410.474 4.330 20 5 HIBDRN CC(C)c1nc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1-c1ccccc1F ZINC000493082441 905015227 /nfs/dbraw/zinc/01/52/27/905015227.db2.gz UCSMLRREYQIJQD-UHFFFAOYSA-N 0 0 423.448 4.243 20 5 HIBDRN O=C(Nc1ccc(Cl)cn1)C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493211777 905054006 /nfs/dbraw/zinc/05/40/06/905054006.db2.gz RZUARJYCZXTBRG-UHFFFAOYSA-N 0 0 409.273 4.147 20 5 HIBDRN CCc1ccc([C@@H](NCc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493232794 905057835 /nfs/dbraw/zinc/05/78/35/905057835.db2.gz SMKIJQBMMSBQRI-HSZRJFAPSA-N 0 0 424.522 4.440 20 5 HIBDRN CCN(Cc1ccc(OC)cc1OC)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000493281179 905077377 /nfs/dbraw/zinc/07/73/77/905077377.db2.gz OLXACNPIPITRIP-OAHLLOKOSA-N 0 0 401.463 4.213 20 5 HIBDRN CC[C@@H](NC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000493311081 905083228 /nfs/dbraw/zinc/08/32/28/905083228.db2.gz QTNYSMQNIVTHMM-OAQYLSRUSA-N 0 0 424.501 4.423 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000506270923 914875504 /nfs/dbraw/zinc/87/55/04/914875504.db2.gz WLDPOGOASBCAEY-IAGOWNOFSA-N 0 0 424.501 4.077 20 5 HIBDRN Cc1c(CC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000493385935 905099443 /nfs/dbraw/zinc/09/94/43/905099443.db2.gz NBASXUHIRGOCQJ-INIZCTEOSA-N 0 0 418.318 4.467 20 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ZINC000498140942 907660613 /nfs/dbraw/zinc/66/06/13/907660613.db2.gz SYCOCNWHEDXYHV-NRFANRHFSA-N 0 0 408.483 4.036 20 5 HIBDRN CC(C)(C)Oc1cccc(CCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000498141476 907663052 /nfs/dbraw/zinc/66/30/52/907663052.db2.gz ZHSWNUDXXVVVRC-HXUWFJFHSA-N 0 0 415.515 4.374 20 5 HIBDRN O=C(c1ccc(F)c(Br)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498149426 907672016 /nfs/dbraw/zinc/67/20/16/907672016.db2.gz KDIUPHIOPUTTMH-MRXNPFEDSA-N 0 0 411.252 4.384 20 5 HIBDRN CC(=O)c1c(C)[nH]c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1C(C)C ZINC000498149621 907674427 /nfs/dbraw/zinc/67/44/27/907674427.db2.gz OIDQSFLOMQSJOB-FQEVSTJZSA-N 0 0 401.488 4.445 20 5 HIBDRN COc1ccc(OCCCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000498154231 907680534 /nfs/dbraw/zinc/68/05/34/907680534.db2.gz WAQKUNGMTPFLTG-HXUWFJFHSA-N 0 0 402.472 4.037 20 5 HIBDRN Cc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c2cnn(C(C)C)c2n1 ZINC000498159027 907684424 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4.024 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000498305505 907830435 /nfs/dbraw/zinc/83/04/35/907830435.db2.gz VJDGYVJDORWFED-VGSWGCGISA-N 0 0 405.454 4.349 20 5 HIBDRN COc1cc(CN(C(=O)c2ccc([N+](=O)[O-])cc2C)C2CC2)ccc1OC(F)F ZINC000498335934 907845662 /nfs/dbraw/zinc/84/56/62/907845662.db2.gz VBUZCBSSHRXQTK-UHFFFAOYSA-N 0 0 406.385 4.318 20 5 HIBDRN CC(C)(C(=O)N1CCC2(CC1)OCCc1ccsc12)c1ccccc1[N+](=O)[O-] ZINC000498362732 907858235 /nfs/dbraw/zinc/85/82/35/907858235.db2.gz HZZSNXDLHXDXCR-UHFFFAOYSA-N 0 0 400.500 4.025 20 5 HIBDRN C[C@@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000498387999 907873356 /nfs/dbraw/zinc/87/33/56/907873356.db2.gz ZTSVTRIUYYNLCV-HNNXBMFYSA-N 0 0 421.419 4.456 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000498471808 907942137 /nfs/dbraw/zinc/94/21/37/907942137.db2.gz JLPHBZMYBURKJL-INIZCTEOSA-N 0 0 423.922 4.243 20 5 HIBDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000498475703 907943240 /nfs/dbraw/zinc/94/32/40/907943240.db2.gz GBEJXGYIBRGSPN-OAHLLOKOSA-N 0 0 413.499 4.259 20 5 HIBDRN COc1cccc(C2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c1 ZINC000498475296 907943466 /nfs/dbraw/zinc/94/34/66/907943466.db2.gz FATFDKKZJLRKNQ-UHFFFAOYSA-N 0 0 423.513 4.226 20 5 HIBDRN COc1cc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c([N+](=O)[O-])cc1OC ZINC000498542492 908008024 /nfs/dbraw/zinc/00/80/24/908008024.db2.gz WPFRDMYDOMDCJU-UHFFFAOYSA-N 0 0 410.348 4.224 20 5 HIBDRN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498644989 908084936 /nfs/dbraw/zinc/08/49/36/908084936.db2.gz VJQKMFKVNJYRSZ-UHFFFAOYSA-N 0 0 401.304 4.290 20 5 HIBDRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)CC3 ZINC000498712346 908138306 /nfs/dbraw/zinc/13/83/06/908138306.db2.gz XEWMGNIJHIZABE-QGZVFWFLSA-N 0 0 404.470 4.010 20 5 HIBDRN O=C(Nc1cccnc1OCC(F)F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498735194 908165027 /nfs/dbraw/zinc/16/50/27/908165027.db2.gz AYJNAOISWDUFDX-UHFFFAOYSA-N 0 0 406.370 4.010 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000498805158 908214233 /nfs/dbraw/zinc/21/42/33/908214233.db2.gz MXBYEOUUOYBCQD-AWEZNQCLSA-N 0 0 404.348 4.051 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2ccc(C)cc2)cc1 ZINC000512899484 921392039 /nfs/dbraw/zinc/39/20/39/921392039.db2.gz RJAWNPPPFGLLLF-OAQYLSRUSA-N 0 0 416.437 4.308 20 5 HIBDRN O=C(Nc1ccccc1)[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 ZINC000498868811 908269345 /nfs/dbraw/zinc/26/93/45/908269345.db2.gz TYFHYODVFDQDCF-QFIPXVFZSA-N 0 0 416.437 4.271 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000498875794 908274572 /nfs/dbraw/zinc/27/45/72/908274572.db2.gz WHOPDVAPMJXSCK-UHFFFAOYSA-N 0 0 415.247 4.114 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000498884103 908283751 /nfs/dbraw/zinc/28/37/51/908283751.db2.gz NBWWJSGIISRBKX-QFIPXVFZSA-N 0 0 404.401 4.059 20 5 HIBDRN CC(C)(CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000498919179 908328351 /nfs/dbraw/zinc/32/83/51/908328351.db2.gz TXZGMOZNRQOJTN-UHFFFAOYSA-N 0 0 400.859 4.181 20 5 HIBDRN CC[C@H](C)Sc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000498961272 908358164 /nfs/dbraw/zinc/35/81/64/908358164.db2.gz VHHXBLGQOJSGFQ-HNNXBMFYSA-N 0 0 415.515 4.391 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1csc(-c2ccccn2)n1 ZINC000499017892 908394104 /nfs/dbraw/zinc/39/41/04/908394104.db2.gz VZGHMKAQOABTSF-UHFFFAOYSA-N 0 0 419.260 4.057 20 5 HIBDRN Cc1c(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cnn1-c1cccc(Cl)c1 ZINC000499042383 908415729 /nfs/dbraw/zinc/41/57/29/908415729.db2.gz GMABVLFHAZAFKU-UHFFFAOYSA-N 0 0 422.832 4.385 20 5 HIBDRN CC(C)(C)C(=O)N1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C)(C)C1 ZINC000499239662 908603440 /nfs/dbraw/zinc/60/34/40/908603440.db2.gz MVBFFGIIYBSVHK-UHFFFAOYSA-N 0 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CCc1cc(NC(=O)c2ccc(F)cc2Br)c2cc([N+](=O)[O-])ccc2n1 ZINC000499411141 908776442 /nfs/dbraw/zinc/77/64/42/908776442.db2.gz CVBYPJZCIVKHJO-UHFFFAOYSA-N 0 0 418.222 4.281 20 5 HIBDRN Cc1ccc([C@@H](C)N(C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C)c1 ZINC000499475228 908810281 /nfs/dbraw/zinc/81/02/81/908810281.db2.gz WJWZOTYWNONNKI-MRXNPFEDSA-N 0 0 411.458 4.119 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000499481704 908813408 /nfs/dbraw/zinc/81/34/08/908813408.db2.gz PHUWWQURDMTTDR-UHFFFAOYSA-N 0 0 407.879 4.062 20 5 HIBDRN COc1ccc(N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000499514347 908824236 /nfs/dbraw/zinc/82/42/36/908824236.db2.gz BHSZJAJWYSEDMX-ZDUSSCGKSA-N 0 0 400.431 4.066 20 5 HIBDRN Cc1c(NC(=O)C(=O)NCc2ccccc2Sc2ccccc2)cccc1[N+](=O)[O-] ZINC000499577414 908845479 /nfs/dbraw/zinc/84/54/79/908845479.db2.gz TZLBGFZOMJDMMW-UHFFFAOYSA-N 0 0 421.478 4.309 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000499628816 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ZINC000524643464 929755480 /nfs/dbraw/zinc/75/54/80/929755480.db2.gz BFXMJLOWMZVMIC-ZEQKJWHPSA-N 0 0 412.489 4.010 20 5 HIBDRN O=C(Cc1ccc(Br)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000524653578 929765040 /nfs/dbraw/zinc/76/50/40/929765040.db2.gz AEAWMPSQKYLPBU-QGZVFWFLSA-N 0 0 407.289 4.174 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1OCCC(C)C ZINC000524663582 929779106 /nfs/dbraw/zinc/77/91/06/929779106.db2.gz ZSHUVLNRXJJWMQ-MRXNPFEDSA-N 0 0 400.475 4.448 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(=O)Nc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000524666001 929781272 /nfs/dbraw/zinc/78/12/72/929781272.db2.gz KOOJOTCMHKBNKA-HOTGVXAUSA-N 0 0 422.485 4.066 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000524674207 929787719 /nfs/dbraw/zinc/78/77/19/929787719.db2.gz NTCQPPPHZFMHPD-IBGZPJMESA-N 0 0 406.442 4.412 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 ZINC000524689746 929801128 /nfs/dbraw/zinc/80/11/28/929801128.db2.gz UGVUQNVTBXEIQX-IBGZPJMESA-N 0 0 401.850 4.209 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCc2cc(Cl)cc(F)c21 ZINC000524691509 929801555 /nfs/dbraw/zinc/80/15/55/929801555.db2.gz JICZKCJSMIHPBA-UHFFFAOYSA-N 0 0 400.797 4.166 20 5 HIBDRN Cn1cnc2cc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)ccc21 ZINC000524747676 929817987 /nfs/dbraw/zinc/81/79/87/929817987.db2.gz PHGCWASYNDOESI-UHFFFAOYSA-N 0 0 401.426 4.346 20 5 HIBDRN CC(C)c1oc([C@@H]2CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)nc1-c1ccccc1 ZINC000524816251 929841473 /nfs/dbraw/zinc/84/14/73/929841473.db2.gz NMGPCPBOWMSSHG-SFHVURJKSA-N 0 0 423.473 4.324 20 5 HIBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000524842355 929854166 /nfs/dbraw/zinc/85/41/66/929854166.db2.gz AAVMSDAGUIQVQL-HZPDHXFCSA-N 0 0 403.504 4.045 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000524909735 929884749 /nfs/dbraw/zinc/88/47/49/929884749.db2.gz GNWOEDALLRLXNG-NRFANRHFSA-N 0 0 421.428 4.081 20 5 HIBDRN COc1cc(CN(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(SC)cc1OC ZINC000524974163 929938522 /nfs/dbraw/zinc/93/85/22/929938522.db2.gz BLHCSOPTJSGMOX-CYBMUJFWSA-N 0 0 419.503 4.237 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccnc(OCC(F)(F)F)c1 ZINC000525004146 929966652 /nfs/dbraw/zinc/96/66/52/929966652.db2.gz AEZLOKONYBLONH-UHFFFAOYSA-N 0 0 424.360 4.307 20 5 HIBDRN CCSCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000525029087 929988326 /nfs/dbraw/zinc/98/83/26/929988326.db2.gz IQVDVSJCIQRCTG-HNNXBMFYSA-N 0 0 419.528 4.153 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc([N+](=O)[O-])c1OC ZINC000525046295 930000877 /nfs/dbraw/zinc/00/08/77/930000877.db2.gz UPFNKJCFNOLSLR-UHFFFAOYSA-N 0 0 420.472 4.061 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccc(C)o2)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC ZINC000525048272 930001801 /nfs/dbraw/zinc/00/18/01/930001801.db2.gz CRKZFTJGQSVGGW-UHFFFAOYSA-N 0 0 414.389 4.500 20 5 HIBDRN O=C(COc1cccc(C(F)(F)F)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000525104900 930039015 /nfs/dbraw/zinc/03/90/15/930039015.db2.gz GNEUUWOAZFHULQ-QGZVFWFLSA-N 0 0 412.389 4.267 20 5 HIBDRN O=C(CCOc1ccc(F)c(Cl)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000525131289 930052126 /nfs/dbraw/zinc/05/21/26/930052126.db2.gz AXFYYDHDNANEPE-GOSISDBHSA-N 0 0 410.854 4.430 20 5 HIBDRN COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])cn1 ZINC000525136799 930055936 /nfs/dbraw/zinc/05/59/36/930055936.db2.gz GVBGXPXYZHDIQF-UHFFFAOYSA-N 0 0 423.425 4.038 20 5 HIBDRN C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)Oc1ccc(Br)cc1 ZINC000525215919 930089816 /nfs/dbraw/zinc/08/98/16/930089816.db2.gz OMSVZMMLAXAZOI-NSHDSACASA-N 0 0 418.247 4.036 20 5 HIBDRN CC[C@@H](NC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000525322944 930161681 /nfs/dbraw/zinc/16/16/81/930161681.db2.gz WIIAYUJBTUZZQP-OAHLLOKOSA-N 0 0 410.478 4.032 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H](COCc1ccccc1)c1ccccc1 ZINC000525361705 930196275 /nfs/dbraw/zinc/19/62/75/930196275.db2.gz CIVONCDAAZSWNL-OAQYLSRUSA-N 0 0 405.454 4.081 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](COCc1ccccc1)c1ccccc1 ZINC000525364824 930198252 /nfs/dbraw/zinc/19/82/52/930198252.db2.gz YGYOOWJNOQTCKC-HXUWFJFHSA-N 0 0 406.438 4.048 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000525364823 930198322 /nfs/dbraw/zinc/19/83/22/930198322.db2.gz YGYOOWJNOQTCKC-FQEVSTJZSA-N 0 0 406.438 4.048 20 5 HIBDRN COc1ccc(CC(=O)N[C@@H](COCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000525380827 930208034 /nfs/dbraw/zinc/20/80/34/930208034.db2.gz ICCKSDOSEFZCFR-NRFANRHFSA-N 0 0 420.465 4.220 20 5 HIBDRN C[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000525486949 930274030 /nfs/dbraw/zinc/27/40/30/930274030.db2.gz OBIDFSKAGZTEFV-GOSISDBHSA-N 0 0 419.481 4.230 20 5 HIBDRN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000525485457 930274535 /nfs/dbraw/zinc/27/45/35/930274535.db2.gz IWQAZVRRQRQYHL-HNNXBMFYSA-N 0 0 418.877 4.117 20 5 HIBDRN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000525489583 930276563 /nfs/dbraw/zinc/27/65/63/930276563.db2.gz LYMQWNJQTLDROB-OAHLLOKOSA-N 0 0 418.877 4.117 20 5 HIBDRN CC(C)(C)Cc1nc(-c2cccc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c2)no1 ZINC000525566330 930332841 /nfs/dbraw/zinc/33/28/41/930332841.db2.gz DOMYYMXVHFSHCT-UHFFFAOYSA-N 0 0 424.457 4.042 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)cc1[N+](=O)[O-] ZINC000525587942 930348911 /nfs/dbraw/zinc/34/89/11/930348911.db2.gz TZBXZTCNOFMJKX-UHFFFAOYSA-N 0 0 409.398 4.442 20 5 HIBDRN O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000525599903 930355369 /nfs/dbraw/zinc/35/53/69/930355369.db2.gz SJPFEVUDJVAGLR-FPOVZHCZSA-N 0 0 414.483 4.040 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CSc3n[nH]c(-c4ccc5c(c4)CCC5)n3)n2)c1 ZINC000525626504 930370886 /nfs/dbraw/zinc/37/08/86/930370886.db2.gz IHTPHGBRIVQNIT-UHFFFAOYSA-N 0 0 420.454 4.211 20 5 HIBDRN CCOc1ccc(Oc2cc(CNC(=O)c3cc(C)ccc3[N+](=O)[O-])ccn2)cc1 ZINC000525654222 930385750 /nfs/dbraw/zinc/38/57/50/930385750.db2.gz WCMRIPUTQAKMIL-UHFFFAOYSA-N 0 0 407.426 4.419 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c1 ZINC000525658593 930389883 /nfs/dbraw/zinc/38/98/83/930389883.db2.gz GEZTYBGKPIFIPT-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000525698055 930408041 /nfs/dbraw/zinc/40/80/41/930408041.db2.gz RJLJFKWAHQFDNE-IBGZPJMESA-N 0 0 411.483 4.032 20 5 HIBDRN CCc1cnc(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)s1 ZINC000525722253 930415060 /nfs/dbraw/zinc/41/50/60/930415060.db2.gz XKDIVAPYAYIUHJ-UHFFFAOYSA-N 0 0 410.499 4.198 20 5 HIBDRN COc1ccc(OCCN2CCC(C(=O)c3ccc(C)cc3C)CC2)c([N+](=O)[O-])c1 ZINC000525782635 930442544 /nfs/dbraw/zinc/44/25/44/930442544.db2.gz KOHDCQJTMVAGKW-UHFFFAOYSA-N 0 0 412.486 4.194 20 5 HIBDRN O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000525848101 930465265 /nfs/dbraw/zinc/46/52/65/930465265.db2.gz OKEWJKAOOGONMN-UHFFFAOYSA-N 0 0 408.389 4.308 20 5 HIBDRN CCOc1ccc(C(=O)N2CCc3cc(Br)cc(F)c3C2)cc1[N+](=O)[O-] ZINC000526037661 930512837 /nfs/dbraw/zinc/51/28/37/930512837.db2.gz CFRPSKKGVLDUON-UHFFFAOYSA-N 0 0 423.238 4.094 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cccc(-n4cccc4)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000526934329 930552053 /nfs/dbraw/zinc/55/20/53/930552053.db2.gz DDFVGDXFLBUKMD-UHFFFAOYSA-N 0 0 415.453 4.499 20 5 HIBDRN Cc1c(C)n(Cc2ccccc2)c2ncnc(NC(=O)c3ccc([N+](=O)[O-])cc3)c12 ZINC000527084587 930582877 /nfs/dbraw/zinc/58/28/77/930582877.db2.gz BJLYWYOAIBHSKC-UHFFFAOYSA-N 0 0 401.426 4.257 20 5 HIBDRN C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000527265093 930622935 /nfs/dbraw/zinc/62/29/35/930622935.db2.gz DDKJQYRQYFTGAG-ZUKSIGSZSA-N 0 0 422.890 4.022 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2cc(Br)cc(F)c2C1 ZINC000527279334 930624814 /nfs/dbraw/zinc/62/48/14/930624814.db2.gz OJTHOFAXWWCQFH-UHFFFAOYSA-N 0 0 418.222 4.176 20 5 HIBDRN Cc1nc(-c2ccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2)cs1 ZINC000527288926 930627975 /nfs/dbraw/zinc/62/79/75/930627975.db2.gz YSUQEUIKYHWSRS-UHFFFAOYSA-N 0 0 403.485 4.042 20 5 HIBDRN Cc1cc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)c(Br)cc1[N+](=O)[O-] ZINC000530384084 930698482 /nfs/dbraw/zinc/69/84/82/930698482.db2.gz KQSPXVDAXRGRKY-CQSZACIVSA-N 0 0 411.218 4.195 20 5 HIBDRN COc1ccc(CC(=O)NC[C@H](Cc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000530673219 930794792 /nfs/dbraw/zinc/79/47/92/930794792.db2.gz BEQVFADHPHVBLP-NRFANRHFSA-N 0 0 404.466 4.289 20 5 HIBDRN COc1cccc(C2=CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000530731992 930811593 /nfs/dbraw/zinc/81/15/93/930811593.db2.gz OXQJRYXQBDFOBE-UHFFFAOYSA-N 0 0 409.486 4.425 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)n1 ZINC000530773069 930820564 /nfs/dbraw/zinc/82/05/64/930820564.db2.gz JDVJEWRXMXECTD-OAHLLOKOSA-N 0 0 403.442 4.370 20 5 HIBDRN O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000530828865 930834112 /nfs/dbraw/zinc/83/41/12/930834112.db2.gz LQHDGDUQEIKNDG-LEWJYISDSA-N 0 0 419.485 4.317 20 5 HIBDRN CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000530887835 930850022 /nfs/dbraw/zinc/85/00/22/930850022.db2.gz YNJFLSKNLVRZKF-OAQYLSRUSA-N 0 0 411.483 4.098 20 5 HIBDRN Cc1sc([C@@H](C)NC(=O)CCn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1 ZINC000531039480 930893448 /nfs/dbraw/zinc/89/34/48/930893448.db2.gz WXUGEBWFIHIVGD-LLVKDONJSA-N 0 0 419.894 4.144 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000531081232 930911937 /nfs/dbraw/zinc/91/19/37/930911937.db2.gz YWIRUGKUJQDFNK-UHFFFAOYSA-N 0 0 417.465 4.025 20 5 HIBDRN C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000531102282 930920069 /nfs/dbraw/zinc/92/00/69/930920069.db2.gz GODQIOGPDITCAS-INIZCTEOSA-N 0 0 406.442 4.096 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000531309440 931010939 /nfs/dbraw/zinc/01/09/39/931010939.db2.gz RYIWXCBXQUJOCM-MRXNPFEDSA-N 0 0 416.547 4.171 20 5 HIBDRN COc1ccc(CC(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)cc1[N+](=O)[O-] ZINC000531361496 931031394 /nfs/dbraw/zinc/03/13/94/931031394.db2.gz OMCYFCNHMIEGRS-IBGZPJMESA-N 0 0 422.485 4.440 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)C2)c1 ZINC000531499364 931078891 /nfs/dbraw/zinc/07/88/91/931078891.db2.gz GZKSBPABCABZPI-GOSISDBHSA-N 0 0 409.486 4.319 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000531502846 931082355 /nfs/dbraw/zinc/08/23/55/931082355.db2.gz SRVGOOKTDQNOIN-GDLZYMKVSA-N 0 0 408.479 4.474 20 5 HIBDRN Cc1c(NC(=O)CCc2cccc([N+](=O)[O-])c2)cccc1-c1nnc2n1CCCCC2 ZINC000531505697 931083834 /nfs/dbraw/zinc/08/38/34/931083834.db2.gz YPOXMQCTSVCUEM-UHFFFAOYSA-N 0 0 419.485 4.459 20 5 HIBDRN CCOc1ccc(C(=O)NCCc2nc3cc(Cl)ccc3s2)cc1[N+](=O)[O-] ZINC000531512333 931085517 /nfs/dbraw/zinc/08/55/17/931085517.db2.gz OYHXHKPFJBHVHS-UHFFFAOYSA-N 0 0 405.863 4.229 20 5 HIBDRN CCOCCOc1cc(C)ccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000531524845 931092081 /nfs/dbraw/zinc/09/20/81/931092081.db2.gz RWAUVDXDQFIXES-UHFFFAOYSA-N 0 0 407.854 4.294 20 5 HIBDRN CC[C@H](Cc1ccccc1Br)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000531595531 931114740 /nfs/dbraw/zinc/11/47/40/931114740.db2.gz IYKXAVDTDDEXEO-OAHLLOKOSA-N 0 0 421.291 4.046 20 5 HIBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OCc1nc([C@H](C)OCC(C)C)no1 ZINC000531597202 931115845 /nfs/dbraw/zinc/11/58/45/931115845.db2.gz KWEHLIDZJABWHT-NSHDSACASA-N 0 0 414.256 4.361 20 5 HIBDRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C(C)(C)c4ccc([N+](=O)[O-])cc4)C3)nc2c1 ZINC000531769321 931189600 /nfs/dbraw/zinc/18/96/00/931189600.db2.gz PNMGBMJLJHCVEB-INIZCTEOSA-N 0 0 406.486 4.463 20 5 HIBDRN CCn1c(S[C@H](C(=O)OC)c2ccccc2F)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000532018555 931287307 /nfs/dbraw/zinc/28/73/07/931287307.db2.gz PPKQQLUYLZRGGT-INIZCTEOSA-N 0 0 416.434 4.019 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2cccc(Br)c2C1 ZINC000532051809 931297911 /nfs/dbraw/zinc/29/79/11/931297911.db2.gz PYFHFEHTXHZSNL-UHFFFAOYSA-N 0 0 407.289 4.034 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CCO[C@](C)(c4ccccc4)C3)cc2[N+](=O)[O-])CC1 ZINC000532106364 931314326 /nfs/dbraw/zinc/31/43/26/931314326.db2.gz XUAUAJYZQASBAU-DEOSSOPVSA-N 0 0 423.513 4.219 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000532134454 931325111 /nfs/dbraw/zinc/32/51/11/931325111.db2.gz UJYCMEWQAXIVHL-AWEZNQCLSA-N 0 0 405.414 4.125 20 5 HIBDRN O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)c1ccc([N+](=O)[O-])cn1 ZINC000532392353 931420746 /nfs/dbraw/zinc/42/07/46/931420746.db2.gz HELOMYYQWXPQJZ-UHFFFAOYSA-N 0 0 404.304 4.448 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000532518486 931471362 /nfs/dbraw/zinc/47/13/62/931471362.db2.gz DUUHBEMJOLGJFR-XIKOKIGWSA-N 0 0 416.384 4.058 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000532518102 931471564 /nfs/dbraw/zinc/47/15/64/931471564.db2.gz HVIIHHGBJWBIBV-SGTLLEGYSA-N 0 0 424.284 4.302 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccc(NC(=O)C4CC4)nc3)o2)c([N+](=O)[O-])c1 ZINC000532566119 931528735 /nfs/dbraw/zinc/52/87/35/931528735.db2.gz UJGNWNVUJIYXPQ-UHFFFAOYSA-N 0 0 408.414 4.219 20 5 HIBDRN CCCC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000532610812 931553711 /nfs/dbraw/zinc/55/37/11/931553711.db2.gz DQUVNUFPTQRALL-UHFFFAOYSA-N 0 0 409.364 4.282 20 5 HIBDRN NS(=O)(=O)c1c(NCc2ccc(Sc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000532619776 931555804 /nfs/dbraw/zinc/55/58/04/931555804.db2.gz FWHASFIXOSVPGH-UHFFFAOYSA-N 0 0 415.496 4.006 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1Br)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000532701866 931595069 /nfs/dbraw/zinc/59/50/69/931595069.db2.gz VJXTWZPOHGNSEA-UHFFFAOYSA-N 0 0 413.611 4.034 20 5 HIBDRN Cc1cnc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(Br)c1 ZINC000532819598 931639194 /nfs/dbraw/zinc/63/91/94/931639194.db2.gz MJYXJFCRZLIFGW-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN CC(C)N(CCc1nccs1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000532822641 931641985 /nfs/dbraw/zinc/64/19/85/931641985.db2.gz IPUOBBFKIMIGRX-UHFFFAOYSA-N 0 0 417.409 4.086 20 5 HIBDRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000532827499 931643562 /nfs/dbraw/zinc/64/35/62/931643562.db2.gz BPCSKHNLLDOALR-CQSZACIVSA-N 0 0 403.866 4.119 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2ccc(O)cc2)CC1 ZINC000532863532 931670683 /nfs/dbraw/zinc/67/06/83/931670683.db2.gz ALDAVTDFBRUFQD-UHFFFAOYSA-N 0 0 404.850 4.129 20 5 HIBDRN O=C(CN1CCC(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000532899943 931685652 /nfs/dbraw/zinc/68/56/52/931685652.db2.gz QMPRODZOTKSFTA-UHFFFAOYSA-N 0 0 418.291 4.175 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000532932804 931703225 /nfs/dbraw/zinc/70/32/25/931703225.db2.gz LASKYLRRLWJYHB-GFCCVEGCSA-N 0 0 414.409 4.159 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000532988724 931728170 /nfs/dbraw/zinc/72/81/70/931728170.db2.gz PINUXXZKJMIFNS-JOCHJYFZSA-N 0 0 405.454 4.421 20 5 HIBDRN C[C@H](O)[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000533016754 931737124 /nfs/dbraw/zinc/73/71/24/931737124.db2.gz WOXJHHZXWJMINB-ZFWWWQNUSA-N 0 0 404.850 4.274 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H]([C@H](C)O)C3)cc2[N+](=O)[O-])cc1 ZINC000533015701 931737451 /nfs/dbraw/zinc/73/74/51/931737451.db2.gz RZTYXVXQVFNIGE-DOTOQJQBSA-N 0 0 400.500 4.287 20 5 HIBDRN CC(C)[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(C(F)(F)F)cc1 ZINC000533054080 931755726 /nfs/dbraw/zinc/75/57/26/931755726.db2.gz RLXCPPWQVQDQTF-KRWDZBQOSA-N 0 0 410.348 4.469 20 5 HIBDRN COc1ccc(OCCN2CCCC[C@@H]2c2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000533066045 931761540 /nfs/dbraw/zinc/76/15/40/931761540.db2.gz JWFAHEQHDYRAGO-LJQANCHMSA-N 0 0 410.474 4.096 20 5 HIBDRN NC(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000533087971 931767961 /nfs/dbraw/zinc/76/79/61/931767961.db2.gz WXFOWDDQHRDOGF-UHFFFAOYSA-N 0 0 413.437 4.159 20 5 HIBDRN COc1ccc([C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)c2ccccc2OC)cc1 ZINC000533105492 931771692 /nfs/dbraw/zinc/77/16/92/931771692.db2.gz NRLSYKFRQCJAHS-JOCHJYFZSA-N 0 0 421.453 4.201 20 5 HIBDRN COc1cc(CCC(=O)N(C)c2cccc([N+](=O)[O-])c2)ccc1OCC(F)(F)F ZINC000533147873 931786299 /nfs/dbraw/zinc/78/62/99/931786299.db2.gz BXULCTOGLCWAQX-UHFFFAOYSA-N 0 0 412.364 4.140 20 5 HIBDRN Cc1ccc(-n2ncc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)c2C(F)(F)F)cc1 ZINC000533148423 931786705 /nfs/dbraw/zinc/78/67/05/931786705.db2.gz MCHPINJHALTVKQ-UHFFFAOYSA-N 0 0 404.348 4.384 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccc(CO)cc2)cc1 ZINC000533197299 931807041 /nfs/dbraw/zinc/80/70/41/931807041.db2.gz GFSSQLHDIPFTBF-UHFFFAOYSA-N 0 0 407.426 4.320 20 5 HIBDRN COc1cc(CNc2ccc(N(C)C)nc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000533309137 931834920 /nfs/dbraw/zinc/83/49/20/931834920.db2.gz ZXXSTGUACRHBKD-UHFFFAOYSA-N 0 0 408.458 4.256 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000533331950 931840496 /nfs/dbraw/zinc/84/04/96/931840496.db2.gz UPFKVMOTOLAOIE-OAHLLOKOSA-N 0 0 400.378 4.139 20 5 HIBDRN COc1ccc(-c2nc(CN3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)cs2)cc1 ZINC000533342276 931842824 /nfs/dbraw/zinc/84/28/24/931842824.db2.gz WTMKYLHRYRJZTE-UHFFFAOYSA-N 0 0 424.526 4.045 20 5 HIBDRN COc1ccc(NC(=O)CN2CC=C(c3c[nH]c4cc(C)ccc43)CC2)c([N+](=O)[O-])c1 ZINC000533351185 931846220 /nfs/dbraw/zinc/84/62/20/931846220.db2.gz GDFZGPAKAMZANX-UHFFFAOYSA-N 0 0 420.469 4.121 20 5 HIBDRN COc1ccc(Br)cc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000533472518 931877670 /nfs/dbraw/zinc/87/76/70/931877670.db2.gz PCONHSMZXYOCME-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN Cc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c(Br)c1 ZINC000533644543 931941134 /nfs/dbraw/zinc/94/11/34/931941134.db2.gz QSJIDTPFAWEWQH-UHFFFAOYSA-N 0 0 407.220 4.079 20 5 HIBDRN CN1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000533680997 931967226 /nfs/dbraw/zinc/96/72/26/931967226.db2.gz JKEXEHJELWPIQB-DOTOQJQBSA-N 0 0 412.248 4.216 20 5 HIBDRN Cc1cccc(OCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)c1[N+](=O)[O-] ZINC000533689265 931971281 /nfs/dbraw/zinc/97/12/81/931971281.db2.gz XSVRAHYFDCVJGS-UHFFFAOYSA-N 0 0 404.469 4.009 20 5 HIBDRN CC(=O)c1ccc2c(c1)CCN(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000533699447 931976668 /nfs/dbraw/zinc/97/66/68/931976668.db2.gz NHYJOHKDGLVSPV-UHFFFAOYSA-N 0 0 421.478 4.162 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000533800880 932037915 /nfs/dbraw/zinc/03/79/15/932037915.db2.gz DGZRTXVKZZEMOK-QFIPXVFZSA-N 0 0 423.513 4.105 20 5 HIBDRN CCc1noc(-c2ccc(C)c(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c2)n1 ZINC000533856062 932064896 /nfs/dbraw/zinc/06/48/96/932064896.db2.gz APJBCQYCADGVDW-UHFFFAOYSA-N 0 0 407.430 4.106 20 5 HIBDRN Cc1nnc(Sc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)n1[C@H]1CCC[C@H](C)C1 ZINC000533909001 932094534 /nfs/dbraw/zinc/09/45/34/932094534.db2.gz PAYLJLJIHYTJAY-FZMZJTMJSA-N 0 0 401.492 4.282 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)sc1Br ZINC000533921190 932100502 /nfs/dbraw/zinc/10/05/02/932100502.db2.gz LKFTXKSQLHHVHV-UHFFFAOYSA-N 0 0 413.293 4.478 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000533961754 932136117 /nfs/dbraw/zinc/13/61/17/932136117.db2.gz PBFASAGBAVKQFA-MRXNPFEDSA-N 0 0 414.531 4.062 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000533976131 932153018 /nfs/dbraw/zinc/15/30/18/932153018.db2.gz JRXKKBKAMXUSDJ-JTQLQIEISA-N 0 0 419.846 4.483 20 5 HIBDRN Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000533996653 932177133 /nfs/dbraw/zinc/17/71/33/932177133.db2.gz OMJJOLOPUXWCEW-UHFFFAOYSA-N 0 0 416.275 4.048 20 5 HIBDRN O=C(Nc1cccc2c1CN(c1nccs1)C2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000534006133 932188850 /nfs/dbraw/zinc/18/88/50/932188850.db2.gz RSFMLUXCJWGLPO-UHFFFAOYSA-N 0 0 400.847 4.477 20 5 HIBDRN COc1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)sc1Br ZINC000534026539 932207656 /nfs/dbraw/zinc/20/76/56/932207656.db2.gz PZMAQYVYKUOIDK-UHFFFAOYSA-N 0 0 423.248 4.070 20 5 HIBDRN CCOc1ccc(F)c(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c1F ZINC000534043552 932220416 /nfs/dbraw/zinc/22/04/16/932220416.db2.gz GAZZIQNOPVSZEU-UHFFFAOYSA-N 0 0 408.405 4.204 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000534049719 932226601 /nfs/dbraw/zinc/22/66/01/932226601.db2.gz MMMGCTXRQFRDFD-INIZCTEOSA-N 0 0 412.776 4.063 20 5 HIBDRN C[C@@H](NC(=O)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 ZINC000534060315 932239584 /nfs/dbraw/zinc/23/95/84/932239584.db2.gz YXKUZYBGYODFCR-CYBMUJFWSA-N 0 0 415.446 4.500 20 5 HIBDRN CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534060901 932239965 /nfs/dbraw/zinc/23/99/65/932239965.db2.gz RZZBJFIGLGIQJP-GOSISDBHSA-N 0 0 404.419 4.455 20 5 HIBDRN CN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000534063591 932241761 /nfs/dbraw/zinc/24/17/61/932241761.db2.gz YXIJCFFSZUEFKF-SJORKVTESA-N 0 0 409.273 4.469 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccn1 ZINC000534071262 932249298 /nfs/dbraw/zinc/24/92/98/932249298.db2.gz CEHPUEGBTGYSCR-KSFYIVLOSA-N 0 0 420.469 4.457 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)c([N+](=O)[O-])cc1OC ZINC000534080208 932258898 /nfs/dbraw/zinc/25/88/98/932258898.db2.gz MOVQWERBWAJJJJ-UHFFFAOYSA-N 0 0 410.430 4.019 20 5 HIBDRN O=C(c1ccc(N2CCCC[C@H]2CCc2ccccc2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000534092171 932272975 /nfs/dbraw/zinc/27/29/75/932272975.db2.gz QMGDTRDHQGRHSF-NRFANRHFSA-N 0 0 423.513 4.059 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ccc(Cl)cc3C2)c(C(F)(F)F)c1 ZINC000534132646 932295436 /nfs/dbraw/zinc/29/54/36/932295436.db2.gz NQZOAYMQHAXHHG-UHFFFAOYSA-N 0 0 420.796 4.014 20 5 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UTIFQTCYTVEEIG-GFCCVEGCSA-N 0 0 403.179 4.104 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000538948338 938745438 /nfs/dbraw/zinc/74/54/38/938745438.db2.gz JQLILOCPAYXQIL-QLJPJBMISA-N 0 0 413.352 4.233 20 5 HIBDRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000538990245 938761757 /nfs/dbraw/zinc/76/17/57/938761757.db2.gz WBZDFDUBEFLHAE-BUXKBTBVSA-N 0 0 400.456 4.324 20 5 HIBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000538991274 938761988 /nfs/dbraw/zinc/76/19/88/938761988.db2.gz RGQUFIQMBQVVAB-GDBMZVCRSA-N 0 0 410.396 4.043 20 5 HIBDRN COc1ccc([C@H](OC)[C@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000538999790 938764948 /nfs/dbraw/zinc/76/49/48/938764948.db2.gz QIJYHHAHSHWQDJ-YCRPNKLZSA-N 0 0 413.474 4.054 20 5 HIBDRN COc1ccccc1[C@@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000539059526 938787031 /nfs/dbraw/zinc/78/70/31/938787031.db2.gz PPDPCESDFUUYAW-IVZQSRNASA-N 0 0 409.442 4.293 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)cc2N1 ZINC000539107246 938804005 /nfs/dbraw/zinc/80/40/05/938804005.db2.gz QSEVWWUQYGKSBM-IFXJQAMLSA-N 0 0 405.813 4.214 20 5 HIBDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000539156711 938813589 /nfs/dbraw/zinc/81/35/89/938813589.db2.gz DTTOAYYLBDXFHG-PSLIRLAXSA-N 0 0 413.293 4.233 20 5 HIBDRN Cc1c2cccc(C)c2oc1C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000539222943 938821100 /nfs/dbraw/zinc/82/11/00/938821100.db2.gz FUBPKBQRAVIFAR-UHFFFAOYSA-N 0 0 419.441 4.133 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000539228927 938821971 /nfs/dbraw/zinc/82/19/71/938821971.db2.gz LAVIRABFUWTLEG-IXDGSTSKSA-N 0 0 403.866 4.447 20 5 HIBDRN C[C@@H](NC(=O)Nc1cccc2c1CN(c1nccs1)C2)c1ccccc1[N+](=O)[O-] ZINC000539256742 938827953 /nfs/dbraw/zinc/82/79/53/938827953.db2.gz XVSCTZHFEKNQSJ-CYBMUJFWSA-N 0 0 409.471 4.454 20 5 HIBDRN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539262915 938829444 /nfs/dbraw/zinc/82/94/44/938829444.db2.gz OMEUOOYDLPYIFH-HUUCEWRRSA-N 0 0 404.430 4.242 20 5 HIBDRN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000539291421 938834708 /nfs/dbraw/zinc/83/47/08/938834708.db2.gz IBRSYJFDRTUXOF-PMACEKPBSA-N 0 0 415.877 4.452 20 5 HIBDRN CC(=O)Nc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 ZINC000539292625 938835079 /nfs/dbraw/zinc/83/50/79/938835079.db2.gz RSVBFWAQOAVDSH-UHFFFAOYSA-N 0 0 401.488 4.026 20 5 HIBDRN C[C@@H](Oc1cccc(F)c1)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539355719 938847305 /nfs/dbraw/zinc/84/73/05/938847305.db2.gz OQYXLAPLXYUXRI-GFCCVEGCSA-N 0 0 401.419 4.288 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)ccc1C(=O)N(C)C ZINC000539355900 938847369 /nfs/dbraw/zinc/84/73/69/938847369.db2.gz SETIEPIZGAKNPO-UHFFFAOYSA-N 0 0 401.488 4.358 20 5 HIBDRN CC[C@@H]1Oc2cc([C@@H](C)NCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2NC1=O ZINC000539360022 938848188 /nfs/dbraw/zinc/84/81/88/938848188.db2.gz MVPWBUKQZMCNHX-YJYMSZOUSA-N 0 0 422.441 4.210 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000539374016 938850961 /nfs/dbraw/zinc/85/09/61/938850961.db2.gz YEMXKNIPWGVEDB-MRXNPFEDSA-N 0 0 421.906 4.095 20 5 HIBDRN C[C@@H](NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1[N+](=O)[O-] ZINC000539381171 938852163 /nfs/dbraw/zinc/85/21/63/938852163.db2.gz LUSWYGTYTVQBOT-CQSZACIVSA-N 0 0 413.861 4.475 20 5 HIBDRN C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(Br)cc1F ZINC000563524428 945210674 /nfs/dbraw/zinc/21/06/74/945210674.db2.gz AXAQDMRCWJUVDU-MRVPVSSYSA-N 0 0 417.181 4.195 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000539469089 938864907 /nfs/dbraw/zinc/86/49/07/938864907.db2.gz ICTWDFJRJMLWJQ-KRWDZBQOSA-N 0 0 424.375 4.226 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(Oc3ccccc3)nc2)c1 ZINC000539519436 938872633 /nfs/dbraw/zinc/87/26/33/938872633.db2.gz YRIOIJIALOZHKT-UHFFFAOYSA-N 0 0 407.426 4.176 20 5 HIBDRN CCCN1C(=O)CCc2cc(NC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])ccc21 ZINC000539524170 938873302 /nfs/dbraw/zinc/87/33/02/938873302.db2.gz ABVWOULWPPVJEU-UHFFFAOYSA-N 0 0 411.458 4.000 20 5 HIBDRN CC[C@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000539528251 938873509 /nfs/dbraw/zinc/87/35/09/938873509.db2.gz QOKLDCPXZOPEHE-NSHDSACASA-N 0 0 417.409 4.415 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000539536153 938875244 /nfs/dbraw/zinc/87/52/44/938875244.db2.gz VBKZHQUUPHQSFN-GOSISDBHSA-N 0 0 407.430 4.280 20 5 HIBDRN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1C(F)(F)F ZINC000539563359 938880591 /nfs/dbraw/zinc/88/05/91/938880591.db2.gz HVXQKBMYLNNXEG-UHFFFAOYSA-N 0 0 409.364 4.011 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000563553052 945212525 /nfs/dbraw/zinc/21/25/25/945212525.db2.gz 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COc1ccc(-c2ccc(CN(C)Cc3ccc([S@@](C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000539821078 938944414 /nfs/dbraw/zinc/94/44/14/938944414.db2.gz XIWJJGPTRWXDHW-GDLZYMKVSA-N 0 0 414.483 4.233 20 5 HIBDRN CC1(C)CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c2ccccc21 ZINC000539915380 938977671 /nfs/dbraw/zinc/97/76/71/938977671.db2.gz VALBZGYDRMWBOC-OAHLLOKOSA-N 0 0 414.527 4.264 20 5 HIBDRN COc1ccc(C)cc1NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000539927025 938978462 /nfs/dbraw/zinc/97/84/62/938978462.db2.gz IBMGJWFPRCOVNY-UHFFFAOYSA-N 0 0 400.353 4.474 20 5 HIBDRN CC(=O)c1cccc(OCc2cc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000539961431 938981709 /nfs/dbraw/zinc/98/17/09/938981709.db2.gz XYNWSHVESPHBOH-UHFFFAOYSA-N 0 0 423.425 4.030 20 5 HIBDRN C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000539964525 938982104 /nfs/dbraw/zinc/98/21/04/938982104.db2.gz QTCLGPIIYFGDQH-GFCCVEGCSA-N 0 0 404.879 4.441 20 5 HIBDRN O=C(N[C@H](CO)c1c(F)cccc1F)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000539974371 939027548 /nfs/dbraw/zinc/02/75/48/939027548.db2.gz JZRWZFKCVVVSCD-GOSISDBHSA-N 0 0 413.380 4.080 20 5 HIBDRN C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000539977671 939028897 /nfs/dbraw/zinc/02/88/97/939028897.db2.gz POUCTTIGQDYGDB-GFCCVEGCSA-N 0 0 419.894 4.234 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCC(Cc4cccnc4)CC3)cc2[N+](=O)[O-])C1 ZINC000540024977 939042457 /nfs/dbraw/zinc/04/24/57/939042457.db2.gz YIPKPQRCEIVEHF-SFHVURJKSA-N 0 0 422.529 4.321 20 5 HIBDRN Cc1ccc([C@H](C)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1[N+](=O)[O-] ZINC000540167274 939099453 /nfs/dbraw/zinc/09/94/53/939099453.db2.gz AAWKLLPSIBEJTM-JTQLQIEISA-N 0 0 413.787 4.469 20 5 HIBDRN CCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540228654 939147711 /nfs/dbraw/zinc/14/77/11/939147711.db2.gz QJNQYPJKZVDEMF-QZTJIDSGSA-N 0 0 409.820 4.092 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000540251223 939168909 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RLXQEAXBTGPWCB-AWEZNQCLSA-N 0 0 412.446 4.291 20 5 HIBDRN COc1cc(-c2noc(CN[C@H](C)c3cccc([N+](=O)[O-])c3)n2)ccc1OC(F)F ZINC000540375741 939216462 /nfs/dbraw/zinc/21/64/62/939216462.db2.gz JJICFRMHMFDOOV-LLVKDONJSA-N 0 0 420.372 4.106 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)c3ccon3)c([N+](=O)[O-])c2)c(C)c1 ZINC000540391632 939230175 /nfs/dbraw/zinc/23/01/75/939230175.db2.gz ZVEXJLULCMKPHZ-AWEZNQCLSA-N 0 0 416.459 4.174 20 5 HIBDRN COCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 ZINC000540394844 939232608 /nfs/dbraw/zinc/23/26/08/939232608.db2.gz BBTQQSTZDDZPSJ-UHFFFAOYSA-N 0 0 404.488 4.051 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccnc1OCC(F)F ZINC000540419805 939241875 /nfs/dbraw/zinc/24/18/75/939241875.db2.gz LPBQXWMQOPPHBN-UHFFFAOYSA-N 0 0 411.430 4.064 20 5 HIBDRN CNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)ccc1Cl ZINC000540436230 939248014 /nfs/dbraw/zinc/24/80/14/939248014.db2.gz WQXXFCATBMSPNY-UHFFFAOYSA-N 0 0 407.879 4.361 20 5 HIBDRN 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ZINC000540530772 939292058 /nfs/dbraw/zinc/29/20/58/939292058.db2.gz LYLQZWMOVAECGS-FMTVUPSXSA-N 0 0 410.829 4.047 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1cc(Br)ccc1F ZINC000540547065 939300610 /nfs/dbraw/zinc/30/06/10/939300610.db2.gz PCXCJWQFIRQEGT-UHFFFAOYSA-N 0 0 411.227 4.167 20 5 HIBDRN O=C([C@H]1C[C@]12CCc1cc(Br)ccc12)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000540606996 939318090 /nfs/dbraw/zinc/31/80/90/939318090.db2.gz JTYZREUNDQQQBY-XLIONFOSSA-N 0 0 413.271 4.151 20 5 HIBDRN Cc1cccc([C@H](NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c2ccccn2)c1 ZINC000540622312 939322378 /nfs/dbraw/zinc/32/23/78/939322378.db2.gz OSTYSGOWYFVAPH-QHCPKHFHSA-N 0 0 405.454 4.281 20 5 HIBDRN CC(=O)N1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc21 ZINC000540628320 939323490 /nfs/dbraw/zinc/32/34/90/939323490.db2.gz WZUKIOYUAUNVHG-IBGZPJMESA-N 0 0 408.483 4.306 20 5 HIBDRN CCCc1cnc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])s1 ZINC000540689701 939339859 /nfs/dbraw/zinc/33/98/59/939339859.db2.gz KTHRWZCLWSNMSZ-OAHLLOKOSA-N 0 0 420.491 4.208 20 5 HIBDRN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc2c1CN(c1nccs1)C2 ZINC000540748522 939357884 /nfs/dbraw/zinc/35/78/84/939357884.db2.gz OVRGJCZGOCMKEN-CQSZACIVSA-N 0 0 423.498 4.401 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1NC(C)=O ZINC000540755715 939361190 /nfs/dbraw/zinc/36/11/90/939361190.db2.gz DTJDVMUGFIGHFU-UHFFFAOYSA-N 0 0 401.488 4.375 20 5 HIBDRN Cc1nn(CCC(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000540777437 939368486 /nfs/dbraw/zinc/36/84/86/939368486.db2.gz FLIXMKFHFCJSKA-DLBZAZTESA-N 0 0 424.423 4.270 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3C3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000540823771 939384401 /nfs/dbraw/zinc/38/44/01/939384401.db2.gz XZJAHHOISKAXTK-MBOZVWFJSA-N 0 0 415.534 4.108 20 5 HIBDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000540826059 939386022 /nfs/dbraw/zinc/38/60/22/939386022.db2.gz LOCGYYNANRRAKY-IRXDYDNUSA-N 0 0 419.547 4.246 20 5 HIBDRN Cc1cc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)nn1-c1ccccc1Cl ZINC000540831833 939387995 /nfs/dbraw/zinc/38/79/95/939387995.db2.gz KQEYSNPRJIUJMC-UHFFFAOYSA-N 0 0 411.849 4.333 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000540875148 939406442 /nfs/dbraw/zinc/40/64/42/939406442.db2.gz KILFDBNDJIXMPP-GHMZBOCLSA-N 0 0 410.396 4.052 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1OC ZINC000541013374 939431414 /nfs/dbraw/zinc/43/14/14/939431414.db2.gz JJSSMDOYRGXBGI-AWEZNQCLSA-N 0 0 422.384 4.191 20 5 HIBDRN O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541029646 939435469 /nfs/dbraw/zinc/43/54/69/939435469.db2.gz FLICPIIPODYMNI-XJKSGUPXSA-N 0 0 406.385 4.094 20 5 HIBDRN O=C(Nc1nccn1Cc1ccccc1Cl)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541043331 939439425 /nfs/dbraw/zinc/43/94/25/939439425.db2.gz QUQCNOVBBDKUEE-UHFFFAOYSA-N 0 0 422.775 4.347 20 5 HIBDRN 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ZINC000541279807 939489118 /nfs/dbraw/zinc/48/91/18/939489118.db2.gz VLSPOAFKEYSYRK-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN COC(=O)CC[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000541284886 939489322 /nfs/dbraw/zinc/48/93/22/939489322.db2.gz WUZYJECRCIAIBK-HNNXBMFYSA-N 0 0 422.890 4.151 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2ncn(Cc3ccc(Br)c4cccnc34)n2)c1 ZINC000541286849 939489404 /nfs/dbraw/zinc/48/94/04/939489404.db2.gz OIIPCCQBPCIQED-UHFFFAOYSA-N 0 0 410.231 4.212 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)nn1[C@H](C)C1CC1 ZINC000541299628 939490028 /nfs/dbraw/zinc/49/00/28/939490028.db2.gz RMKOCQMIHMGDPM-OAHLLOKOSA-N 0 0 422.489 4.185 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000541319383 939490715 /nfs/dbraw/zinc/49/07/15/939490715.db2.gz NVXPSSWDALJTCY-UHFFFAOYSA-N 0 0 422.485 4.482 20 5 HIBDRN CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000541323897 939490837 /nfs/dbraw/zinc/49/08/37/939490837.db2.gz DIYBDSBRADZFPN-IBGZPJMESA-N 0 0 422.525 4.029 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000541332956 939491363 /nfs/dbraw/zinc/49/13/63/939491363.db2.gz WJWITSCIKGZTJG-MRXNPFEDSA-N 0 0 403.307 4.013 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000541440534 939516616 /nfs/dbraw/zinc/51/66/16/939516616.db2.gz YEMJUJSBPSQIIB-UHFFFAOYSA-N 0 0 415.496 4.363 20 5 HIBDRN CCCc1c(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1cccc(F)c1 ZINC000541488262 939533832 /nfs/dbraw/zinc/53/38/32/939533832.db2.gz CZUUTKAEWZTGGZ-UHFFFAOYSA-N 0 0 412.421 4.062 20 5 HIBDRN COc1cc(Br)c(CNCc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000541540888 939547795 /nfs/dbraw/zinc/54/77/95/939547795.db2.gz UMFNCYPQRIJZNZ-UHFFFAOYSA-N 0 0 415.671 4.318 20 5 HIBDRN C[C@H](C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000541585557 939560813 /nfs/dbraw/zinc/56/08/13/939560813.db2.gz ISVZPTGGPOLELI-AWEZNQCLSA-N 0 0 414.433 4.194 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000541611748 939570138 /nfs/dbraw/zinc/57/01/38/939570138.db2.gz XQEVPTGNGGPWHB-UONOGXRCSA-N 0 0 401.438 4.138 20 5 HIBDRN C[C@@H](C(=O)NCCc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541611250 939570173 /nfs/dbraw/zinc/57/01/73/939570173.db2.gz ONAGUEWAVBBWKW-LLVKDONJSA-N 0 0 400.328 4.095 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541613478 939570679 /nfs/dbraw/zinc/57/06/79/939570679.db2.gz QLYFPEGOLVBXLI-XHSDSOJGSA-N 0 0 415.465 4.085 20 5 HIBDRN C[C@@H](C(=O)N(C)CCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541623348 939573478 /nfs/dbraw/zinc/57/34/78/939573478.db2.gz MVCOITYVGXTICJ-GFCCVEGCSA-N 0 0 409.255 4.301 20 5 HIBDRN CC(C)COC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000541626010 939574518 /nfs/dbraw/zinc/57/45/18/939574518.db2.gz CNBNGXOKLRIIFL-GUYCJALGSA-N 0 0 409.870 4.172 20 5 HIBDRN CCNc1ccc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000541635192 939578314 /nfs/dbraw/zinc/57/83/14/939578314.db2.gz OUZULCTUYFYRLO-YLJYHZDGSA-N 0 0 401.438 4.158 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541635862 939579076 /nfs/dbraw/zinc/57/90/76/939579076.db2.gz SQVCGPZWUSWCLF-CRAIPNDOSA-N 0 0 404.463 4.496 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541661454 939594470 /nfs/dbraw/zinc/59/44/70/939594470.db2.gz YZAJUDWXOUXALR-KBXCAEBGSA-N 0 0 424.375 4.328 20 5 HIBDRN C[C@@H](C(=O)NCCCc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000541664277 939595684 /nfs/dbraw/zinc/59/56/84/939595684.db2.gz FMTUHGIVXXZMHB-CYBMUJFWSA-N 0 0 414.462 4.105 20 5 HIBDRN O=C(NC[C@@H](CO)Cc1ccco1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541680914 939599464 /nfs/dbraw/zinc/59/94/64/939599464.db2.gz MJFBFHGTEVUZNH-INIZCTEOSA-N 0 0 418.515 4.051 20 5 HIBDRN C[C@H](C(=O)NCCCC(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541681897 939599989 /nfs/dbraw/zinc/59/99/89/939599989.db2.gz INPYPZHCOVKIGM-LBPRGKRZSA-N 0 0 407.829 4.026 20 5 HIBDRN CCc1nnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)[nH]1 ZINC000541722950 939614312 /nfs/dbraw/zinc/61/43/12/939614312.db2.gz WSPAQYUWZKUVFC-LBPRGKRZSA-N 0 0 403.508 4.049 20 5 HIBDRN O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541756243 939622210 /nfs/dbraw/zinc/62/22/10/939622210.db2.gz KUPPZWREZIHLNF-UHFFFAOYSA-N 0 0 415.397 4.266 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCO[C@H](C2CCCCC2)C1 ZINC000541768548 939625714 /nfs/dbraw/zinc/62/57/14/939625714.db2.gz LMQRGSLYRKTEJW-SFHVURJKSA-N 0 0 401.488 4.140 20 5 HIBDRN COCC(=O)N1CCc2c1cccc2N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000541777116 939627810 /nfs/dbraw/zinc/62/78/10/939627810.db2.gz WGLVVUHLXZQOJG-XMMPIXPASA-N 0 0 417.465 4.332 20 5 HIBDRN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541781121 939628560 /nfs/dbraw/zinc/62/85/60/939628560.db2.gz ZRCCAFREOORPPQ-UHFFFAOYSA-N 0 0 407.829 4.257 20 5 HIBDRN Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000541782573 939628769 /nfs/dbraw/zinc/62/87/69/939628769.db2.gz ZKKFXUFUCNYSAW-SFHVURJKSA-N 0 0 403.410 4.247 20 5 HIBDRN CC(C)(COc1ncccc1C(F)(F)F)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541787889 939630322 /nfs/dbraw/zinc/63/03/22/939630322.db2.gz WWBLYRGRYHDXDY-UHFFFAOYSA-N 0 0 416.331 4.127 20 5 HIBDRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000541834333 939644825 /nfs/dbraw/zinc/64/48/25/939644825.db2.gz HNRAHYXDYVGZAM-ZDUSSCGKSA-N 0 0 406.845 4.344 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(OCc2ccccc2OC)CC1 ZINC000541853378 939647130 /nfs/dbraw/zinc/64/71/30/939647130.db2.gz IXZRSJKGGSWOAW-UHFFFAOYSA-N 0 0 400.475 4.183 20 5 HIBDRN Cc1ccc(Sc2ccc(CNCc3ccnc(N(C)C)n3)cc2[N+](=O)[O-])cc1 ZINC000541852785 939647198 /nfs/dbraw/zinc/64/71/98/939647198.db2.gz CUFSIIYIQGXLTJ-UHFFFAOYSA-N 0 0 409.515 4.200 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541929318 939656351 /nfs/dbraw/zinc/65/63/51/939656351.db2.gz LXRPGPJNBLEIQU-CZUORRHYSA-N 0 0 412.776 4.110 20 5 HIBDRN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541929314 939656417 /nfs/dbraw/zinc/65/64/17/939656417.db2.gz LXRPGPJNBLEIQU-BBRMVZONSA-N 0 0 412.776 4.110 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2F)C(C)C)cc1[N+](=O)[O-] ZINC000541971209 939666254 /nfs/dbraw/zinc/66/62/54/939666254.db2.gz IEQZVRDBESGKHI-QGZVFWFLSA-N 0 0 407.829 4.148 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000541974159 939667038 /nfs/dbraw/zinc/66/70/38/939667038.db2.gz NNSMAPVWEXPWRA-GOSISDBHSA-N 0 0 422.403 4.491 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000541978475 939668369 /nfs/dbraw/zinc/66/83/69/939668369.db2.gz RERLTESSKWYVOM-KRWDZBQOSA-N 0 0 419.359 4.309 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(c3nc(C)no3)CC2)cc1OC ZINC000541986673 939670937 /nfs/dbraw/zinc/67/09/37/939670937.db2.gz WWMUSEJJRSKPLT-AWEZNQCLSA-N 0 0 418.494 4.099 20 5 HIBDRN COc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1[N+](=O)[O-] ZINC000541999837 939676226 /nfs/dbraw/zinc/67/62/26/939676226.db2.gz AJXFFQTVCHHKNK-UHFFFAOYSA-N 0 0 410.430 4.348 20 5 HIBDRN COc1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1[N+](=O)[O-] ZINC000542001624 939677313 /nfs/dbraw/zinc/67/73/13/939677313.db2.gz MFMRPWQZWHIJOA-UHFFFAOYSA-N 0 0 417.874 4.485 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000542008122 939683812 /nfs/dbraw/zinc/68/38/12/939683812.db2.gz NFYOSUXYSRDUCB-LYSIVYOWSA-N 0 0 411.502 4.335 20 5 HIBDRN COc1ccc(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000542034369 939694181 /nfs/dbraw/zinc/69/41/81/939694181.db2.gz YZIWLRIQPXRPEI-UHFFFAOYSA-N 0 0 413.352 4.004 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000542035342 939694458 /nfs/dbraw/zinc/69/44/58/939694458.db2.gz XYTGFFIQRYBPGT-ZIAGYGMSSA-N 0 0 406.236 4.044 20 5 HIBDRN CC(C)(C)Oc1c(F)cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1F ZINC000542069683 939702438 /nfs/dbraw/zinc/70/24/38/939702438.db2.gz OEEHSBBFVLVFHE-UHFFFAOYSA-N 0 0 416.384 4.488 20 5 HIBDRN COc1ccc(Br)c2[nH]c(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)cc21 ZINC000542072732 939702649 /nfs/dbraw/zinc/70/26/49/939702649.db2.gz JYAUIZOKTSGDJB-UHFFFAOYSA-N 0 0 420.219 4.108 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000542110356 939717388 /nfs/dbraw/zinc/71/73/88/939717388.db2.gz JHNNFJMXSRIPSD-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000542157704 939735516 /nfs/dbraw/zinc/73/55/16/939735516.db2.gz DTAAAVVCQJGAHK-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN COc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1OC ZINC000542190044 939750446 /nfs/dbraw/zinc/75/04/46/939750446.db2.gz FKYWJURTYQOEPV-UHFFFAOYSA-N 0 0 412.851 4.005 20 5 HIBDRN O=[N+]([O-])c1ccccc1OC[C@H](O)Cn1ccc(-c2cc(Cl)ccc2Cl)n1 ZINC000542190447 939750553 /nfs/dbraw/zinc/75/05/53/939750553.db2.gz NBTSZWLOQIFNCQ-CYBMUJFWSA-N 0 0 408.241 4.205 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000542191086 939750725 /nfs/dbraw/zinc/75/07/25/939750725.db2.gz XREPJHSHOKUISD-UHFFFAOYSA-N 0 0 420.437 4.087 20 5 HIBDRN O=C(Nc1csc(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1Br ZINC000542201806 939754435 /nfs/dbraw/zinc/75/44/35/939754435.db2.gz MUJYVNOFQXBMBX-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000542215548 939760557 /nfs/dbraw/zinc/76/05/57/939760557.db2.gz PPMYGDDIIYFGAJ-CQSZACIVSA-N 0 0 406.435 4.023 20 5 HIBDRN Cc1c(Br)c(=O)n(Cc2coc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000542218532 939761812 /nfs/dbraw/zinc/76/18/12/939761812.db2.gz PULRPYYELRLOHS-UHFFFAOYSA-N 0 0 424.638 4.184 20 5 HIBDRN Cc1c(Br)c(=O)n(Cc2csc(-c3ccsc3)n2)cc1[N+](=O)[O-] ZINC000542220045 939762405 /nfs/dbraw/zinc/76/24/05/939762405.db2.gz LFWORISCNAAKNG-UHFFFAOYSA-N 0 0 412.290 4.061 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000563730451 945270110 /nfs/dbraw/zinc/27/01/10/945270110.db2.gz HROSFGPRVWZTRL-FGZHOGPDSA-N 0 0 411.502 4.330 20 5 HIBDRN C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000542401964 939815303 /nfs/dbraw/zinc/81/53/03/939815303.db2.gz KASLTYXLXOVBIX-ABAIWWIYSA-N 0 0 412.920 4.390 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc(Br)s1 ZINC000542418820 939818052 /nfs/dbraw/zinc/81/80/52/939818052.db2.gz KQOBDESCBDOVLO-ZDUSSCGKSA-N 0 0 410.293 4.194 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1SC ZINC000542446233 939824472 /nfs/dbraw/zinc/82/44/72/939824472.db2.gz MTBNWWZYBBPEGW-UHFFFAOYSA-N 0 0 419.850 4.016 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCOc2c(Br)cccc21 ZINC000542499278 939833307 /nfs/dbraw/zinc/83/33/07/939833307.db2.gz OLCBVMNXBCIXGB-MRXNPFEDSA-N 0 0 407.264 4.369 20 5 HIBDRN Cc1c(Br)c(NCc2ccccc2-c2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000542506164 939834372 /nfs/dbraw/zinc/83/43/72/939834372.db2.gz NSLSCIIREKHPTE-UHFFFAOYSA-N 0 0 402.252 4.073 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(NCc3ccc(OCCOc4ccccc4)nc3)c21 ZINC000542520296 939836652 /nfs/dbraw/zinc/83/66/52/939836652.db2.gz BCCPKDPCWILOQN-UHFFFAOYSA-N 0 0 417.425 4.003 20 5 HIBDRN C[C@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542526353 939837341 /nfs/dbraw/zinc/83/73/41/939837341.db2.gz WLZRVGISFOESCK-RWRYZHGASA-N 0 0 410.804 4.276 20 5 HIBDRN Cc1nc([C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc2)no1 ZINC000542527974 939837703 /nfs/dbraw/zinc/83/77/03/939837703.db2.gz ZPFLKSVBTZMPLH-BMLIUANNSA-N 0 0 418.812 4.088 20 5 HIBDRN Cc1nc([C@@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc2)no1 ZINC000542527980 939837744 /nfs/dbraw/zinc/83/77/44/939837744.db2.gz ZPFLKSVBTZMPLH-QGHHPUGFSA-N 0 0 418.812 4.088 20 5 HIBDRN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542532254 939838832 /nfs/dbraw/zinc/83/88/32/939838832.db2.gz NJWMANRKGCODAA-QAPCUYQASA-N 0 0 416.449 4.054 20 5 HIBDRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000542541358 939840703 /nfs/dbraw/zinc/84/07/03/939840703.db2.gz NTUWVZVDZBHUPX-HNAYVOBHSA-N 0 0 416.449 4.054 20 5 HIBDRN CC(C)N(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cn1 ZINC000542545707 939841667 /nfs/dbraw/zinc/84/16/67/939841667.db2.gz YDKKPWTZCYAFSG-NSHDSACASA-N 0 0 410.243 4.437 20 5 HIBDRN C[C@@H](C(=O)N1CC[C@H](OCCCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542552888 939842410 /nfs/dbraw/zinc/84/24/10/939842410.db2.gz WFLPCSPKYCHGLI-APWZRJJASA-N 0 0 400.450 4.088 20 5 HIBDRN CN(c1ncc([N+](=O)[O-])cc1Br)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542554803 939842751 /nfs/dbraw/zinc/84/27/51/939842751.db2.gz WIAXRQMSDGJTSB-BBRMVZONSA-N 0 0 410.243 4.248 20 5 HIBDRN C[C@H](CNc1nc(NC[C@H](C)c2nccs2)c([N+](=O)[O-])s1)c1nccs1 ZINC000542553471 939842762 /nfs/dbraw/zinc/84/27/62/939842762.db2.gz FQMIORMDZRHWEN-VHSXEESVSA-N 0 0 410.550 4.396 20 5 HIBDRN Cc1cnc([C@@H](C)CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000542571877 939845128 /nfs/dbraw/zinc/84/51/28/939845128.db2.gz PWDKSDJDWJMWIP-VIFPVBQESA-N 0 0 419.450 4.391 20 5 HIBDRN COc1cc(CNC(C)(C)c2ncc(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542580780 939845910 /nfs/dbraw/zinc/84/59/10/939845910.db2.gz VXNHRGKZRSJRLR-UHFFFAOYSA-N 0 0 401.435 4.037 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000542589823 939846864 /nfs/dbraw/zinc/84/68/64/939846864.db2.gz HROGNRZLNXGFQV-KXBFYZLASA-N 0 0 404.463 4.448 20 5 HIBDRN COCC(=O)N1CCc2c1cccc2NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000542689961 939854539 /nfs/dbraw/zinc/85/45/39/939854539.db2.gz CJZWLRSTGGEEKE-UHFFFAOYSA-N 0 0 407.426 4.002 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000542714832 939856161 /nfs/dbraw/zinc/85/61/61/939856161.db2.gz ZKBAGPCYNFVJDZ-MRXNPFEDSA-N 0 0 415.471 4.269 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CNc2nnc([C@@H]3COc4ccccc4O3)o2)o1 ZINC000542756012 939859305 /nfs/dbraw/zinc/85/93/05/939859305.db2.gz ZKQVKFSXDXVAAD-IBGZPJMESA-N 0 0 420.381 4.362 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC=C(c2cccc3ccccc32)C1 ZINC000542793028 939860744 /nfs/dbraw/zinc/86/07/44/939860744.db2.gz PWODMPKPWIVSCY-UHFFFAOYSA-N 0 0 402.406 4.059 20 5 HIBDRN COc1cc(F)cc2sc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)nc21 ZINC000542861090 939863820 /nfs/dbraw/zinc/86/38/20/939863820.db2.gz HKCDNRBNKVCNJF-UHFFFAOYSA-N 0 0 413.333 4.206 20 5 HIBDRN CC[C@H](Nc1nc(C)cc(C)c1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000542863550 939863988 /nfs/dbraw/zinc/86/39/88/939863988.db2.gz MCXJVTKYUHXKMX-SFHVURJKSA-N 0 0 412.490 4.171 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000542873767 939864591 /nfs/dbraw/zinc/86/45/91/939864591.db2.gz MPDXYCDUKUXSHA-SNVBAGLBSA-N 0 0 400.765 4.047 20 5 HIBDRN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542875225 939864674 /nfs/dbraw/zinc/86/46/74/939864674.db2.gz WAHSRYYFFBHKBO-UHFFFAOYSA-N 0 0 422.775 4.347 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccco1 ZINC000542891871 939865862 /nfs/dbraw/zinc/86/58/62/939865862.db2.gz VYKRQHOZGHQZGC-GOSISDBHSA-N 0 0 418.352 4.317 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cc(N2CCCC2=O)ccc1F ZINC000542928888 939880009 /nfs/dbraw/zinc/88/00/09/939880009.db2.gz YFHZOBYKNMKUOO-UHFFFAOYSA-N 0 0 411.311 4.132 20 5 HIBDRN O=C(Nc1ncc(C2CCCCC2)s1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000542990245 939892230 /nfs/dbraw/zinc/89/22/30/939892230.db2.gz OLJYGVNYYAELPF-UHFFFAOYSA-N 0 0 407.517 4.436 20 5 HIBDRN Cc1ccc(C[C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000543120412 939955857 /nfs/dbraw/zinc/95/58/57/939955857.db2.gz DZFQVUHLUOIUEA-LJQANCHMSA-N 0 0 407.495 4.491 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCN(CC(F)(F)F)c2ccccc21 ZINC000543123816 939957625 /nfs/dbraw/zinc/95/76/25/939957625.db2.gz QDIUCSGAUQBAEU-UHFFFAOYSA-N 0 0 411.405 4.102 20 5 HIBDRN Cc1c(Br)c(=O)n(Cc2ccccc2Oc2cccnc2)cc1[N+](=O)[O-] ZINC000543145424 939970499 /nfs/dbraw/zinc/97/04/99/939970499.db2.gz IQTNAXCNOXNKKQ-UHFFFAOYSA-N 0 0 416.231 4.063 20 5 HIBDRN Cc1cc(N2CCOCC2)ccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543151221 939974418 /nfs/dbraw/zinc/97/44/18/939974418.db2.gz OXEFCGROFKXCLW-UHFFFAOYSA-N 0 0 421.906 4.124 20 5 HIBDRN C[C@H]1CO[C@H](c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)CN1Cc1ccccc1 ZINC000563757699 945287948 /nfs/dbraw/zinc/28/79/48/945287948.db2.gz NFXHZJJIHPTIQF-LHZNOMQLSA-N 0 0 406.442 4.110 20 5 HIBDRN CCOC(=O)C[C@@H](C)N(C)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000543304729 940023620 /nfs/dbraw/zinc/02/36/20/940023620.db2.gz MRCCWLMRYAXAHO-CQSZACIVSA-N 0 0 401.419 4.193 20 5 HIBDRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)c2[nH]nc(C)c2[N+](=O)[O-])c1 ZINC000543304998 940023797 /nfs/dbraw/zinc/02/37/97/940023797.db2.gz VVCWQAYLPRRGAX-RXVVDRJESA-N 0 0 406.442 4.006 20 5 HIBDRN O=C(NCC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000543338536 940035759 /nfs/dbraw/zinc/03/57/59/940035759.db2.gz JJNSQTZDILAORE-CQSZACIVSA-N 0 0 403.866 4.017 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)CCc1ccccc1 ZINC000543384696 940047731 /nfs/dbraw/zinc/04/77/31/940047731.db2.gz IYLYCAVUYFMRIJ-SFHVURJKSA-N 0 0 402.516 4.066 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(N3CCC(c4nc(-c5ccncc5)cs4)CC3)c21 ZINC000543437304 940063878 /nfs/dbraw/zinc/06/38/78/940063878.db2.gz YBRZVSYQHXEJFI-UHFFFAOYSA-N 0 0 418.482 4.441 20 5 HIBDRN Cc1c(Br)c(NC[C@H]2CCN(c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] ZINC000543449489 940066606 /nfs/dbraw/zinc/06/66/06/940066606.db2.gz MPKDWNJXPCHDFW-GFCCVEGCSA-N 0 0 409.259 4.138 20 5 HIBDRN CC[C@H](N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 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ZINC000543887830 940226505 /nfs/dbraw/zinc/22/65/05/940226505.db2.gz JOORZJFFVYXKQZ-UHFFFAOYSA-N 0 0 413.352 4.004 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000543894070 940230461 /nfs/dbraw/zinc/23/04/61/940230461.db2.gz PJSZNJIEBDMVOY-JTQLQIEISA-N 0 0 417.809 4.190 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]2Cc2c(F)cccc2Cl)s1 ZINC000543948368 940260227 /nfs/dbraw/zinc/26/02/27/940260227.db2.gz DUIRSJWBJOHNSN-JTQLQIEISA-N 0 0 418.899 4.064 20 5 HIBDRN COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000543961616 940271533 /nfs/dbraw/zinc/27/15/33/940271533.db2.gz YOWBRGMIHQJISD-LJQANCHMSA-N 0 0 419.437 4.059 20 5 HIBDRN CCOC(=O)c1ccnc(Oc2ccc(-n3ncc4ccccc43)cc2)c1[N+](=O)[O-] ZINC000543975728 940280855 /nfs/dbraw/zinc/28/08/55/940280855.db2.gz GVIWZCUWCQBVSY-UHFFFAOYSA-N 0 0 404.382 4.298 20 5 HIBDRN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(CC(=O)OC(C)(C)C)c1 ZINC000544009937 940297448 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COC(=O)[C@@H](C)Cc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000546535724 940846644 /nfs/dbraw/zinc/84/66/44/940846644.db2.gz MHEPVUZREIRDLG-ZDUSSCGKSA-N 0 0 402.422 4.002 20 5 HIBDRN COc1cc(F)c([C@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000546537972 940846975 /nfs/dbraw/zinc/84/69/75/940846975.db2.gz FIXGUQAAHXTSNB-NSHDSACASA-N 0 0 408.401 4.045 20 5 HIBDRN CC(C)(C)Nc1ccc(-c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)nc1 ZINC000546544131 940848562 /nfs/dbraw/zinc/84/85/62/940848562.db2.gz NEJNKZGLMPKAEO-UHFFFAOYSA-N 0 0 406.402 4.171 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccnc(OCC(F)F)c3)no2)cc(C(F)(F)F)c1 ZINC000546556076 940851941 /nfs/dbraw/zinc/85/19/41/940851941.db2.gz LQINGYXWOBBXCV-UHFFFAOYSA-N 0 0 416.262 4.370 20 5 HIBDRN COc1ccc(OC)c(/C=C/c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000546559166 940852973 /nfs/dbraw/zinc/85/29/73/940852973.db2.gz NSJFAXQHHDTAFM-FPYGCLRLSA-N 0 0 406.398 4.238 20 5 HIBDRN C[C@H]1CCCN1C(=O)c1ccc(-c2noc(CCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000546560437 940853336 /nfs/dbraw/zinc/85/33/36/940853336.db2.gz MBECBZWLMHQKGS-HNNXBMFYSA-N 0 0 406.442 4.055 20 5 HIBDRN Cc1ccn(-c2ccc(-c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)cc2)n1 ZINC000546562134 940853885 /nfs/dbraw/zinc/85/38/85/940853885.db2.gz WVLMKVUQEREYFP-UHFFFAOYSA-N 0 0 400.398 4.211 20 5 HIBDRN Cc1cc(Cc2noc([C@H]3CC(=O)N(c4ccccc4Cl)C3)n2)ccc1[N+](=O)[O-] ZINC000546562251 940853965 /nfs/dbraw/zinc/85/39/65/940853965.db2.gz WXPFMTKBCTYHCQ-AWEZNQCLSA-N 0 0 412.833 4.051 20 5 HIBDRN CC[C@@H](C)N(C(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@H](C)CC ZINC000546642002 940864154 /nfs/dbraw/zinc/86/41/54/940864154.db2.gz GUNPMFFXUSOWAP-GHMZBOCLSA-N 0 0 404.248 4.239 20 5 HIBDRN CN1C(=O)COc2cc(NCc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)ccc21 ZINC000546666826 940867557 /nfs/dbraw/zinc/86/75/57/940867557.db2.gz OZEWKGJFHCWYNH-UHFFFAOYSA-N 0 0 423.400 4.494 20 5 HIBDRN COc1ccc(N(Cc2cccs2)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000546800216 940885648 /nfs/dbraw/zinc/88/56/48/940885648.db2.gz PMHKCGNEDQVUET-UHFFFAOYSA-N 0 0 418.496 4.202 20 5 HIBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000546828676 940890031 /nfs/dbraw/zinc/89/00/31/940890031.db2.gz BQCIFNWGHVMBBR-UHFFFAOYSA-N 0 0 407.257 4.198 20 5 HIBDRN COc1ccccc1C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000546842354 940892768 /nfs/dbraw/zinc/89/27/68/940892768.db2.gz SKMRWUDPZYRHSO-UHFFFAOYSA-N 0 0 419.275 4.218 20 5 HIBDRN CN(Cc1cscn1)Cc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000546898307 940905578 /nfs/dbraw/zinc/90/55/78/940905578.db2.gz LQSPDKPQJMNZJE-UHFFFAOYSA-N 0 0 421.482 4.417 20 5 HIBDRN CCCc1c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cnn1-c1cc(C)ccn1 ZINC000546912947 940910382 /nfs/dbraw/zinc/91/03/82/940910382.db2.gz NOXQBJWDUJTMFK-AWEZNQCLSA-N 0 0 411.437 4.318 20 5 HIBDRN CCc1ccc([C@@H](N[C@H]2CCCc3cn(CCOC)nc32)c2ccc([N+](=O)[O-])cc2)o1 ZINC000546930215 940916834 /nfs/dbraw/zinc/91/68/34/940916834.db2.gz CCOPRFCAYMRGDM-REWPJTCUSA-N 0 0 424.501 4.350 20 5 HIBDRN CCOC(=O)c1cc(-c2nc(CSc3ccc(F)cc3)no2)cc([N+](=O)[O-])c1 ZINC000546936801 940918684 /nfs/dbraw/zinc/91/86/84/940918684.db2.gz WMEHGFCIMLXSFP-UHFFFAOYSA-N 0 0 403.391 4.253 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccc(-n5cccn5)nc4)no3)cs2)c1 ZINC000546940845 940919862 /nfs/dbraw/zinc/91/98/62/940919862.db2.gz IDMALRNYJRZCCM-UHFFFAOYSA-N 0 0 417.410 4.016 20 5 HIBDRN COC(=O)c1cc(-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)cc([N+](=O)[O-])c1 ZINC000546941242 940920287 /nfs/dbraw/zinc/92/02/87/940920287.db2.gz BZZBJIMMTYFNFU-UHFFFAOYSA-N 0 0 408.197 4.329 20 5 HIBDRN Cc1sc2[nH]c(Cc3noc(C=Cc4cccc([N+](=O)[O-])c4)n3)nc(=O)c2c1C ZINC000546943311 940921345 /nfs/dbraw/zinc/92/13/45/940921345.db2.gz KMWHRSSRYJDHLA-VOTSOKGWSA-N 0 0 409.427 4.066 20 5 HIBDRN Cc1sc2[nH]c(Cc3noc(C=Cc4cccc([N+](=O)[O-])c4)n3)nc(=O)c2c1C ZINC000546943310 940921421 /nfs/dbraw/zinc/92/14/21/940921421.db2.gz KMWHRSSRYJDHLA-SREVYHEPSA-N 0 0 409.427 4.066 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCc1nc(Cc2ccc(OCc3ccccn3)cc2)no1 ZINC000546985326 940939985 /nfs/dbraw/zinc/93/99/85/940939985.db2.gz NQXDDYWHOMAAMB-UHFFFAOYSA-N 0 0 418.409 4.122 20 5 HIBDRN O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4ccccc4OC(F)(F)F)no3)n2)c1 ZINC000546995535 940947686 /nfs/dbraw/zinc/94/76/86/940947686.db2.gz FEZUUUOESIPZHO-UHFFFAOYSA-N 0 0 417.303 4.396 20 5 HIBDRN O=[N+]([O-])c1ccc(NCCCc2nc(Cc3cccc(Br)c3)no2)cc1 ZINC000546999024 940949106 /nfs/dbraw/zinc/94/91/06/940949106.db2.gz ZBTNOXLQGOORGX-UHFFFAOYSA-N 0 0 417.263 4.376 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)c2nc(Cc3coc(-c4cccs4)n3)no2)cc1 ZINC000547007459 940953696 /nfs/dbraw/zinc/95/36/96/940953696.db2.gz WZMQCEYQAIKALX-UHFFFAOYSA-N 0 0 404.354 4.425 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccnc(N4CCCC4)c3)no2)cc(C(F)(F)F)c1 ZINC000547033618 940967768 /nfs/dbraw/zinc/96/77/68/940967768.db2.gz GWAIIUHDVLWEGB-UHFFFAOYSA-N 0 0 405.336 4.326 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)cc1 ZINC000547074357 940985050 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ZINC000547166122 941017894 /nfs/dbraw/zinc/01/78/94/941017894.db2.gz CASDJQRVJPJVND-UHFFFAOYSA-N 0 0 423.351 4.026 20 5 HIBDRN COc1cc(Cc2noc(-c3cc(Br)cn3C(C)C)n2)ccc1[N+](=O)[O-] ZINC000547171352 941020443 /nfs/dbraw/zinc/02/04/43/941020443.db2.gz DYWKUKVSLIPHNB-UHFFFAOYSA-N 0 0 421.251 4.389 20 5 HIBDRN COc1cc(Cc2noc([C@@H](C)Oc3ccc(SC)cc3)n2)ccc1[N+](=O)[O-] ZINC000547176783 941022159 /nfs/dbraw/zinc/02/21/59/941022159.db2.gz VYHPMLIMVWWWKV-GFCCVEGCSA-N 0 0 401.444 4.439 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(-c3nc(Cc4c[nH]c5ncccc45)no3)cc2[N+](=O)[O-])C1 ZINC000547181105 941023945 /nfs/dbraw/zinc/02/39/45/941023945.db2.gz LZMLGFFQHZQGEJ-CQSZACIVSA-N 0 0 418.457 4.348 20 5 HIBDRN CO[C@H](c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1)c1cccc(Cl)c1 ZINC000547186315 941024859 /nfs/dbraw/zinc/02/48/59/941024859.db2.gz PRWQUSUURMSEEP-KRWDZBQOSA-N 0 0 412.789 4.288 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc(Cn4nc(C)cc4C)cc3)n2)ccc1[N+](=O)[O-] ZINC000547190933 941025926 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422.547 4.143 20 5 HIBDRN NC(=O)C1CCN(c2cccc(Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)c2)CC1 ZINC000548446734 941104741 /nfs/dbraw/zinc/10/47/41/941104741.db2.gz NIGWOIHFTFKWNV-UHFFFAOYSA-N 0 0 409.273 4.347 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000548499038 941110028 /nfs/dbraw/zinc/11/00/28/941110028.db2.gz CCJOVFRCKQGJJK-SFHVURJKSA-N 0 0 423.391 4.451 20 5 HIBDRN Cc1csc(Oc2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2F)n1 ZINC000548735964 941121994 /nfs/dbraw/zinc/12/19/94/941121994.db2.gz QFBLOCCXFCHOJH-UHFFFAOYSA-N 0 0 413.390 4.420 20 5 HIBDRN O=C(NCCc1cnccn1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000548756886 941122892 /nfs/dbraw/zinc/12/28/92/941122892.db2.gz VCYYLZAOEIYMLS-UHFFFAOYSA-N 0 0 414.874 4.162 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000548947932 941132206 /nfs/dbraw/zinc/13/22/06/941132206.db2.gz UZVFTWCYQIUEBD-UHFFFAOYSA-N 0 0 422.279 4.462 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)c1 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CCOC(=O)c1sc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)nc1C(C)C ZINC000550326649 941315327 /nfs/dbraw/zinc/31/53/27/941315327.db2.gz ITKJPRXLLGKHFL-UHFFFAOYSA-N 0 0 409.489 4.082 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC(C)C)CC1 ZINC000550590111 941343339 /nfs/dbraw/zinc/34/33/39/941343339.db2.gz GFJMMNPUDKMWPB-UHFFFAOYSA-N 0 0 413.312 4.333 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000550634440 941348432 /nfs/dbraw/zinc/34/84/32/941348432.db2.gz QGYDXRHOEDEKKJ-QGZVFWFLSA-N 0 0 423.238 4.019 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000550715829 941358109 /nfs/dbraw/zinc/35/81/09/941358109.db2.gz RHRXRGKFKPAXST-ZDUSSCGKSA-N 0 0 411.296 4.277 20 5 HIBDRN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1ncc(Br)cn1 ZINC000551211249 941428385 /nfs/dbraw/zinc/42/83/85/941428385.db2.gz GRCRFYXFASRUHY-DGCLKSJQSA-N 0 0 411.325 4.369 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2cccs2)C2Cc3ccccc3C2)cc1 ZINC000551225285 941430850 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O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c2ccccc2)c1 ZINC000552085498 941581880 /nfs/dbraw/zinc/58/18/80/941581880.db2.gz ADCSPCDEHBESDF-HKBOAZHASA-N 0 0 420.469 4.455 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CC[C@H](c3ccncc3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000552131982 941590541 /nfs/dbraw/zinc/59/05/41/941590541.db2.gz HLMHRDHXHOTWBJ-APWZRJJASA-N 0 0 417.469 4.188 20 5 HIBDRN CC(=O)c1cccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000552194247 941599782 /nfs/dbraw/zinc/59/97/82/941599782.db2.gz XMZOAMDDEJEQDL-HNNXBMFYSA-N 0 0 418.453 4.296 20 5 HIBDRN CSc1cccc(F)c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000552243308 941612377 /nfs/dbraw/zinc/61/23/77/941612377.db2.gz UXJDNQGRMNVRPM-UHFFFAOYSA-N 0 0 413.268 4.077 20 5 HIBDRN Cc1sc2ncnc(SCC(=O)N(C)CCc3ccccc3[N+](=O)[O-])c2c1C ZINC000552264594 941617225 /nfs/dbraw/zinc/61/72/25/941617225.db2.gz PGOGJZUOLWPTFP-UHFFFAOYSA-N 0 0 416.528 4.010 20 5 HIBDRN 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400.454 4.084 20 5 HIBDRN Cc1cccc(COc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)cc2)c1 ZINC000553278101 941860170 /nfs/dbraw/zinc/86/01/70/941860170.db2.gz HMYANSSQISWDIT-UHFFFAOYSA-N 0 0 416.437 4.743 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000553312316 941865630 /nfs/dbraw/zinc/86/56/30/941865630.db2.gz BKVIPDGXCKLYSB-UHFFFAOYSA-N 0 0 424.226 4.095 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c(F)c1 ZINC000553352672 941871682 /nfs/dbraw/zinc/87/16/82/941871682.db2.gz PKZMSICGGQCQIR-GOSISDBHSA-N 0 0 403.435 4.131 20 5 HIBDRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)s1 ZINC000553366741 941873454 /nfs/dbraw/zinc/87/34/54/941873454.db2.gz FWWMNOIONKQSFC-BDAKNGLRSA-N 0 0 417.413 4.103 20 5 HIBDRN CO[C@H](C)CN(C)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000553374700 941875519 /nfs/dbraw/zinc/87/55/19/941875519.db2.gz HIRWGLCKEMJLQI-GFCCVEGCSA-N 0 0 417.512 4.463 20 5 HIBDRN 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941916870 /nfs/dbraw/zinc/91/68/70/941916870.db2.gz AVXQCFJLXXVKCJ-BHIFYINESA-N 0 0 416.481 4.369 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000553609440 941919964 /nfs/dbraw/zinc/91/99/64/941919964.db2.gz IWLQFMHBBFZMCL-OPAMFIHVSA-N 0 0 405.458 4.037 20 5 HIBDRN CNC(=O)CC[C@H]1CCCCN1C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000553645999 941931525 /nfs/dbraw/zinc/93/15/25/941931525.db2.gz MWHSTGHDMUBEST-QGZVFWFLSA-N 0 0 421.563 4.254 20 5 HIBDRN CC[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000553688846 941943870 /nfs/dbraw/zinc/94/38/70/941943870.db2.gz BPPVBVFBGJLZOW-MRXNPFEDSA-N 0 0 421.881 4.258 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000553700116 941946932 /nfs/dbraw/zinc/94/69/32/941946932.db2.gz XSFRKOYELLRZGX-AWEZNQCLSA-N 0 0 409.408 4.429 20 5 HIBDRN Cc1nc(-c2ccc(CCNC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000553718588 941951090 /nfs/dbraw/zinc/95/10/90/941951090.db2.gz 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ZINC000554316191 942101810 /nfs/dbraw/zinc/10/18/10/942101810.db2.gz YLTHWPGXZCTHKL-HXUWFJFHSA-N 0 0 423.469 4.088 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(Br)c(F)cc1F ZINC000554733887 942214527 /nfs/dbraw/zinc/21/45/27/942214527.db2.gz IHKUVGFYNZKVCT-UHFFFAOYSA-N 0 0 424.201 4.089 20 5 HIBDRN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000554775390 942231518 /nfs/dbraw/zinc/23/15/18/942231518.db2.gz CTUYUMKTOQMTMH-BPQIPLTHSA-N 0 0 400.500 4.398 20 5 HIBDRN COc1ccc(-c2nc(Cc3noc([C@H](C)c4cccc([N+](=O)[O-])c4)n3)co2)cc1 ZINC000554798222 942243989 /nfs/dbraw/zinc/24/39/89/942243989.db2.gz GWNUKQAEMATVAT-CYBMUJFWSA-N 0 0 406.398 4.384 20 5 HIBDRN O=c1c2ccccc2[nH]c2ccc(-c3nc(Cc4cnc5ccccc5n4)no3)cc21 ZINC000554832246 942270472 /nfs/dbraw/zinc/27/04/72/942270472.db2.gz CXQUCXCNLPEZQL-UHFFFAOYSA-N 0 0 405.417 4.265 20 5 HIBDRN Cc1cc(Oc2ncccn2)ccc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554857689 942293501 /nfs/dbraw/zinc/29/35/01/942293501.db2.gz FDPOXGZPDDUDGT-UHFFFAOYSA-N 0 0 407.430 4.192 20 5 HIBDRN Cc1c(NC(=O)c2ncsc2C(F)(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000554943633 942326908 /nfs/dbraw/zinc/32/69/08/942326908.db2.gz ZCQXBTIUZQEUIH-UHFFFAOYSA-N 0 0 410.171 4.393 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000554963381 942335956 /nfs/dbraw/zinc/33/59/56/942335956.db2.gz VBHDVPWHIUBMRK-UHFFFAOYSA-N 0 0 404.835 4.418 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 ZINC000554968341 942337235 /nfs/dbraw/zinc/33/72/35/942337235.db2.gz DZQVSJGTYSXZBB-UHFFFAOYSA-N 0 0 422.319 4.315 20 5 HIBDRN C[C@H]1C[C@@H]1c1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000554969832 942337787 /nfs/dbraw/zinc/33/77/87/942337787.db2.gz YMUQUYJPCIAXAH-BONVTDFDSA-N 0 0 412.227 4.206 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000554995834 942347906 /nfs/dbraw/zinc/34/79/06/942347906.db2.gz OOOWZWYHULZFEM-KRWDZBQOSA-N 0 0 411.202 4.207 20 5 HIBDRN C[C@@H]1C[C@@H](CCNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000554997575 942348844 /nfs/dbraw/zinc/34/88/44/942348844.db2.gz HCAVJWXQALQIPM-BTTYYORXSA-N 0 0 417.428 4.126 20 5 HIBDRN CCn1c(CSc2ccccc2OC)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000555018370 942358698 /nfs/dbraw/zinc/35/86/98/942358698.db2.gz CKHNUXOTUQNACD-UHFFFAOYSA-N 0 0 413.503 4.144 20 5 HIBDRN CC(C)c1noc(Cc2ccc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2)n1 ZINC000555041815 942367881 /nfs/dbraw/zinc/36/78/81/942367881.db2.gz BZEODHNSIWALND-UHFFFAOYSA-N 0 0 421.457 4.282 20 5 HIBDRN COc1cccc(C2(CNC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CC2)c1 ZINC000555065977 942374897 /nfs/dbraw/zinc/37/48/97/942374897.db2.gz ROOAQMKLWNWAND-UHFFFAOYSA-N 0 0 424.375 4.006 20 5 HIBDRN C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(Br)cc1F ZINC000555109389 942388052 /nfs/dbraw/zinc/38/80/52/942388052.db2.gz OJKKRWVZGXHHRJ-VIFPVBQESA-N 0 0 406.211 4.469 20 5 HIBDRN Cc1cc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555119998 942390521 /nfs/dbraw/zinc/39/05/21/942390521.db2.gz JNJQNWWILWQXOP-CYBMUJFWSA-N 0 0 413.440 4.397 20 5 HIBDRN Cc1ncc(CN(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)s1 ZINC000555156783 942409281 /nfs/dbraw/zinc/40/92/81/942409281.db2.gz CHKRDHLCEXXQNG-UHFFFAOYSA-N 0 0 420.498 4.303 20 5 HIBDRN O=C(NCc1ccc(-c2ccco2)cc1F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000555161315 942410701 /nfs/dbraw/zinc/41/07/01/942410701.db2.gz DFXVDXYUCINOFG-UHFFFAOYSA-N 0 0 411.389 4.098 20 5 HIBDRN O=C(CCc1nc2cc(Cl)ccc2s1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000555206610 942431929 /nfs/dbraw/zinc/43/19/29/942431929.db2.gz GLNNVOUPLZLMJV-UHFFFAOYSA-N 0 0 417.874 4.212 20 5 HIBDRN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1=O ZINC000555240951 942442189 /nfs/dbraw/zinc/44/21/89/942442189.db2.gz GNAWNJGKJBOBGZ-VBKZILBWSA-N 0 0 408.433 4.446 20 5 HIBDRN C[C@@H](c1ccc(F)cc1)N1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1=O ZINC000555240953 942442484 /nfs/dbraw/zinc/44/24/84/942442484.db2.gz GNAWNJGKJBOBGZ-XOBRGWDASA-N 0 0 408.433 4.446 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)C[C@H](C)S1 ZINC000555436208 942534934 /nfs/dbraw/zinc/53/49/34/942534934.db2.gz OCQZYFACFWSUOZ-OKILXGFUSA-N 0 0 415.544 4.293 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCCC4(CCCC4)C3)n2C[C@@H]2CCOC2)cc1 ZINC000555445392 942549504 /nfs/dbraw/zinc/54/95/04/942549504.db2.gz LYPLRKQCPKJHMX-KRWDZBQOSA-N 0 0 411.506 4.050 20 5 HIBDRN COc1ccc(COC[C@@H](O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 ZINC000555564172 942645049 /nfs/dbraw/zinc/64/50/49/942645049.db2.gz BHOGEPIZAPBYRF-QGZVFWFLSA-N 0 0 415.467 4.288 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000555659361 942692789 /nfs/dbraw/zinc/69/27/89/942692789.db2.gz LDFMMIZBZDVWKT-DEOSSOPVSA-N 0 0 417.465 4.190 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000555854103 942755526 /nfs/dbraw/zinc/75/55/26/942755526.db2.gz XYSFSUIFPRGWIH-OAHLLOKOSA-N 0 0 411.296 4.230 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000555884472 942765369 /nfs/dbraw/zinc/76/53/69/942765369.db2.gz AJPRPZGYGZORPC-HNNXBMFYSA-N 0 0 418.291 4.382 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cncc(Br)c1 ZINC000555884903 942765462 /nfs/dbraw/zinc/76/54/62/942765462.db2.gz BUTQJAPERCLCBL-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1C(=O)NC(C)C ZINC000555980260 942782896 /nfs/dbraw/zinc/78/28/96/942782896.db2.gz CKNXGJHVPIGBDX-UHFFFAOYSA-N 0 0 409.364 4.313 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccc(Br)cc3C2)c1 ZINC000556462874 942875534 /nfs/dbraw/zinc/87/55/34/942875534.db2.gz RCRPVXXWDJKBOW-UHFFFAOYSA-N 0 0 407.289 4.278 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000556466630 942876095 /nfs/dbraw/zinc/87/60/95/942876095.db2.gz ALCIEOFBUXYTBK-UHFFFAOYSA-N 0 0 406.055 4.434 20 5 HIBDRN Cc1ccnn1-c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000556467495 942876111 /nfs/dbraw/zinc/87/61/11/942876111.db2.gz JPXZOOFMGQNSKK-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556475016 942879423 /nfs/dbraw/zinc/87/94/23/942879423.db2.gz HMOYCRJTCPNTKJ-AWEZNQCLSA-N 0 0 421.469 4.093 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1cccc2[nH]ccc21 ZINC000556475746 942879458 /nfs/dbraw/zinc/87/94/58/942879458.db2.gz VQCBHTUZVFSTJG-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1[N+](=O)[O-] ZINC000556486424 942882886 /nfs/dbraw/zinc/88/28/86/942882886.db2.gz UWRRKHQTXIWMID-GOSISDBHSA-N 0 0 422.403 4.491 20 5 HIBDRN Cc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(C)s1 ZINC000556509680 942888208 /nfs/dbraw/zinc/88/82/08/942888208.db2.gz NMMZEUHWSVJBAB-GFCCVEGCSA-N 0 0 403.504 4.387 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000556555734 942897823 /nfs/dbraw/zinc/89/78/23/942897823.db2.gz SNKKTAVBYORNGM-CZIWCDLHSA-N 0 0 413.449 4.032 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc(C(C)(F)F)cc2)cc1[N+](=O)[O-] ZINC000556636930 942922911 /nfs/dbraw/zinc/92/29/11/942922911.db2.gz BOOKBNNVNYZPGM-UHFFFAOYSA-N 0 0 419.428 4.259 20 5 HIBDRN COc1ccc(C2(CN[C@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC000556889269 942952314 /nfs/dbraw/zinc/95/23/14/942952314.db2.gz BRYZHXAYBCVOFP-NRFANRHFSA-N 0 0 406.486 4.138 20 5 HIBDRN Cn1ccnc1[C@@H](NCC(F)(F)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000556921343 942966537 /nfs/dbraw/zinc/96/65/37/942966537.db2.gz OJPGMHSMXFJAMM-KRWDZBQOSA-N 0 0 406.820 4.453 20 5 HIBDRN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000556995911 942990240 /nfs/dbraw/zinc/99/02/40/942990240.db2.gz YZLYROWNLVJBPD-KBPBESRZSA-N 0 0 401.429 4.130 20 5 HIBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1nc2ccccc2[nH]1 ZINC000557057530 943007026 /nfs/dbraw/zinc/00/70/26/943007026.db2.gz FCDJYPFMJGEZKH-CQSZACIVSA-N 0 0 417.263 4.423 20 5 HIBDRN CSCc1ccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000557137038 943028209 /nfs/dbraw/zinc/02/82/09/943028209.db2.gz KKIUSQWJABBQNG-UHFFFAOYSA-N 0 0 401.307 4.212 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000557177872 943041292 /nfs/dbraw/zinc/04/12/92/943041292.db2.gz DDRKSVMBGXFTJS-QGZVFWFLSA-N 0 0 422.304 4.112 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000557195093 943047097 /nfs/dbraw/zinc/04/70/97/943047097.db2.gz DTIBQNOCKYPGPE-GOSISDBHSA-N 0 0 416.302 4.185 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000557218587 943054917 /nfs/dbraw/zinc/05/49/17/943054917.db2.gz FOXLXHRXLIAAJU-CYBMUJFWSA-N 0 0 424.423 4.031 20 5 HIBDRN CC1(C)CC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)ccc2O1 ZINC000557400641 943103252 /nfs/dbraw/zinc/10/32/52/943103252.db2.gz ADODTELOMRCARH-UHFFFAOYSA-N 0 0 406.341 4.192 20 5 HIBDRN CNc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc1[N+](=O)[O-] ZINC000557425355 943117820 /nfs/dbraw/zinc/11/78/20/943117820.db2.gz OWNSUXINPFQPIH-HNNXBMFYSA-N 0 0 410.474 4.212 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000557509563 943176375 /nfs/dbraw/zinc/17/63/75/943176375.db2.gz CMSFCWKRWFPGQD-DFQSSKMNSA-N 0 0 417.465 4.317 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000557509564 943176650 /nfs/dbraw/zinc/17/66/50/943176650.db2.gz CMSFCWKRWFPGQD-MISYRCLQSA-N 0 0 417.465 4.317 20 5 HIBDRN Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000557508345 943177406 /nfs/dbraw/zinc/17/74/06/943177406.db2.gz ONIFNIHBYKFPSR-UHFFFAOYSA-N 0 0 411.458 4.307 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000557556750 943207274 /nfs/dbraw/zinc/20/72/74/943207274.db2.gz GMYUPPGBCPVPSJ-DOMZBBRYSA-N 0 0 420.453 4.120 20 5 HIBDRN C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000557565632 943212126 /nfs/dbraw/zinc/21/21/26/943212126.db2.gz LDLVECQGXQXKMT-PXNSSMCTSA-N 0 0 411.502 4.363 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC([C@H](F)c3ccccc3F)CC2)s1 ZINC000557681354 943257525 /nfs/dbraw/zinc/25/75/25/943257525.db2.gz FVXYZNLUFBOZIE-INIZCTEOSA-N 0 0 416.471 4.126 20 5 HIBDRN CC[C@@H](CN(C)c1cccc(C(N)=O)c1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000557684105 943258188 /nfs/dbraw/zinc/25/81/88/943258188.db2.gz WOBYRQUXLSXOLN-NSHDSACASA-N 0 0 412.273 4.294 20 5 HIBDRN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000557725628 943270690 /nfs/dbraw/zinc/27/06/90/943270690.db2.gz OGFPKAOTXPZKQW-XCLFUZPHSA-N 0 0 422.441 4.218 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000557747733 943278251 /nfs/dbraw/zinc/27/82/51/943278251.db2.gz DXKVNOWYGJPILL-LBPRGKRZSA-N 0 0 416.421 4.085 20 5 HIBDRN C[S@@](=O)Cc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 ZINC000557752649 943278939 /nfs/dbraw/zinc/27/89/39/943278939.db2.gz HSLBCXRLVDRRMU-MUUNZHRXSA-N 0 0 423.363 4.135 20 5 HIBDRN COc1ccccc1O[C@H]1CCCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000557760791 943283033 /nfs/dbraw/zinc/28/30/33/943283033.db2.gz KECHKZMGJRPQPK-ZDUSSCGKSA-N 0 0 422.279 4.117 20 5 HIBDRN Cc1noc(C)c1C(C)(C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000557770957 943287103 /nfs/dbraw/zinc/28/71/03/943287103.db2.gz RHSXMMMODOPFBF-UHFFFAOYSA-N 0 0 408.458 4.477 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccccc2OC)cc([N+](=O)[O-])c1 ZINC000557816603 943301605 /nfs/dbraw/zinc/30/16/05/943301605.db2.gz FPFVZHFGGOZJIH-IFXJQAMLSA-N 0 0 412.442 4.003 20 5 HIBDRN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000557836931 943308371 /nfs/dbraw/zinc/30/83/71/943308371.db2.gz FDYUGGLIHAFFFS-IRLDBZIGSA-N 0 0 421.497 4.010 20 5 HIBDRN O=C(Nc1ccnc(OCC(F)(F)F)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000557928480 943330947 /nfs/dbraw/zinc/33/09/47/943330947.db2.gz SMPLLFLLLVUTHO-UHFFFAOYSA-N 0 0 409.242 4.202 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000557962637 943341013 /nfs/dbraw/zinc/34/10/13/943341013.db2.gz SQZUDKXLJUTLFT-FQEVSTJZSA-N 0 0 403.429 4.409 20 5 HIBDRN O=C(c1ncsc1Br)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000558058111 943368570 /nfs/dbraw/zinc/36/85/70/943368570.db2.gz WKPQOTQLMQPKAP-UHFFFAOYSA-N 0 0 424.198 4.019 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](O)C[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000558068525 943372067 /nfs/dbraw/zinc/37/20/67/943372067.db2.gz SSXRMMUMKYMQNS-WFASDCNBSA-N 0 0 420.849 4.035 20 5 HIBDRN CCCN(Cc1ccccc1Br)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000558123184 943386584 /nfs/dbraw/zinc/38/65/84/943386584.db2.gz UGKHHRCGQWYPBZ-UHFFFAOYSA-N 0 0 406.280 4.479 20 5 HIBDRN COc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1-c1ccccn1 ZINC000558151001 943397414 /nfs/dbraw/zinc/39/74/14/943397414.db2.gz KAMDTGYUMOKICM-UHFFFAOYSA-N 0 0 416.437 4.119 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(OCC(F)(F)F)cc1 ZINC000558191435 943425894 /nfs/dbraw/zinc/42/58/94/943425894.db2.gz XHBOZDXOPOBABO-UHFFFAOYSA-N 0 0 422.363 4.381 20 5 HIBDRN CCc1c(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cnn1-c1ccccc1 ZINC000558210051 943434325 /nfs/dbraw/zinc/43/43/25/943434325.db2.gz KTOSGQLPLJCLLC-UHFFFAOYSA-N 0 0 418.457 4.188 20 5 HIBDRN COc1cc(C(=O)NC[C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000558275605 943475555 /nfs/dbraw/zinc/47/55/55/943475555.db2.gz QJCDGBZKMMYYGX-OAHLLOKOSA-N 0 0 406.385 4.128 20 5 HIBDRN CC(C)[C@@H]1NC(=O)N(Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1=O ZINC000558284376 943482657 /nfs/dbraw/zinc/48/26/57/943482657.db2.gz FGKIPWBIWKQBQW-KRWDZBQOSA-N 0 0 421.812 4.256 20 5 HIBDRN Cc1ccc(Cc2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 ZINC000558296614 943490074 /nfs/dbraw/zinc/49/00/74/943490074.db2.gz SMIHBDCZIUPLIV-IBGZPJMESA-N 0 0 406.442 4.163 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3ccc4sccc4c3)no2)c1N1CCOCC1 ZINC000558336645 943514229 /nfs/dbraw/zinc/51/42/29/943514229.db2.gz NUBDAZABKXDKEP-UHFFFAOYSA-N 0 0 408.439 4.363 20 5 HIBDRN C[C@H](C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000558401563 943549882 /nfs/dbraw/zinc/54/98/82/943549882.db2.gz PGHOSACDXQFMOL-VIFPVBQESA-N 0 0 419.306 4.150 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c(Cl)c1 ZINC000558416520 943553849 /nfs/dbraw/zinc/55/38/49/943553849.db2.gz WBKWCEDORLWHSW-UHFFFAOYSA-N 0 0 401.728 4.478 20 5 HIBDRN C[C@H](c1nc(CC(=O)Nc2ccccc2Cl)no1)c1ccc([N+](=O)[O-])cc1F ZINC000558461387 943565992 /nfs/dbraw/zinc/56/59/92/943565992.db2.gz CTVRLXUWLLFGQC-JTQLQIEISA-N 0 0 404.785 4.103 20 5 HIBDRN CC(C)n1ncc2c1C[C@H](NC(=O)c1ccc(Nc3ccccc3)c([N+](=O)[O-])c1)CC2 ZINC000558501173 943577799 /nfs/dbraw/zinc/57/77/99/943577799.db2.gz XAXKUBSPTGWBIG-LJQANCHMSA-N 0 0 419.485 4.403 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC000558512140 943581879 /nfs/dbraw/zinc/58/18/79/943581879.db2.gz REHOFUFFDRKJRG-OAQYLSRUSA-N 0 0 415.490 4.217 20 5 HIBDRN O=C(Cc1noc(-c2ccc(C3=CCCC3)cc2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000558520152 943587378 /nfs/dbraw/zinc/58/73/78/943587378.db2.gz NLTIHHLLOPMYHG-UHFFFAOYSA-N 0 0 404.426 4.071 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000558530500 943590093 /nfs/dbraw/zinc/59/00/93/943590093.db2.gz AVCVGYNBISFTQH-JTQLQIEISA-N 0 0 410.257 4.280 20 5 HIBDRN C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(Br)cc1F ZINC000558581134 943607503 /nfs/dbraw/zinc/60/75/03/943607503.db2.gz DUSPJURBLREVMQ-VIFPVBQESA-N 0 0 406.211 4.469 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@](F)(c4cccc(Cl)c4)C3)n2)cc1 ZINC000558742580 943637515 /nfs/dbraw/zinc/63/75/15/943637515.db2.gz BISLNFUGADFFIV-LJQANCHMSA-N 0 0 402.813 4.369 20 5 HIBDRN CCc1noc(-c2ccc(C)c(NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c2)n1 ZINC000558762321 943650193 /nfs/dbraw/zinc/65/01/93/943650193.db2.gz PIVPQKDBZRJTQB-UHFFFAOYSA-N 0 0 409.446 4.222 20 5 HIBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000558807669 943671494 /nfs/dbraw/zinc/67/14/94/943671494.db2.gz NNYHCTRHTIVSNG-SFHVURJKSA-N 0 0 410.396 4.248 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000558819768 943677741 /nfs/dbraw/zinc/67/77/41/943677741.db2.gz XUSMORDTLSEZEM-VWLOTQADSA-N 0 0 418.443 4.391 20 5 HIBDRN COc1ccc(CC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)cc1[N+](=O)[O-] ZINC000558951807 943769980 /nfs/dbraw/zinc/76/99/80/943769980.db2.gz RGPOEZAKNPWRCT-UHFFFAOYSA-N 0 0 415.352 4.250 20 5 HIBDRN COc1cc(-c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc(C)n1 ZINC000559233325 943882386 /nfs/dbraw/zinc/88/23/86/943882386.db2.gz SOGRVJLSBBQKPC-UHFFFAOYSA-N 0 0 423.351 4.030 20 5 HIBDRN CCc1ccc(-c2nc(Cn3nc(-c4ccc([N+](=O)[O-])cc4)oc3=O)cs2)cc1 ZINC000559250614 943885946 /nfs/dbraw/zinc/88/59/46/943885946.db2.gz BWLHJFXRRZTJKV-UHFFFAOYSA-N 0 0 408.439 4.146 20 5 HIBDRN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000559350076 943904873 /nfs/dbraw/zinc/90/48/73/943904873.db2.gz BRLQLMDWLKSGIN-QGZVFWFLSA-N 0 0 412.877 4.140 20 5 HIBDRN COC(=O)[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000559391229 943926789 /nfs/dbraw/zinc/92/67/89/943926789.db2.gz APYUXPUVGKRKMA-QFYYESIMSA-N 0 0 411.241 4.036 20 5 HIBDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000559390390 943928407 /nfs/dbraw/zinc/92/84/07/943928407.db2.gz YGIYPZVZKJLGEX-JCGVRSQUSA-N 0 0 421.291 4.353 20 5 HIBDRN COC(=O)[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000559391231 943928455 /nfs/dbraw/zinc/92/84/55/943928455.db2.gz APYUXPUVGKRKMA-QLJPJBMISA-N 0 0 411.241 4.036 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000559563840 944005995 /nfs/dbraw/zinc/00/59/95/944005995.db2.gz WDEBBDXXRIAOPV-SGTLLEGYSA-N 0 0 419.275 4.268 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COc1ccc(-n2ccnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000021491989 846453370 /nfs/dbraw/zinc/45/33/70/846453370.db2.gz CZNHLHNSYGBULZ-UHFFFAOYSA-N 0 0 418.862 4.173 20 5 HIBDRN Cc1cc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000021589218 846467231 /nfs/dbraw/zinc/46/72/31/846467231.db2.gz PJICHGBDDTWYMO-KRWDZBQOSA-N 0 0 411.439 4.314 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2csc3c2CC[C@@H](C)C3)cccc1[N+](=O)[O-] ZINC000021661112 846478676 /nfs/dbraw/zinc/47/86/76/846478676.db2.gz CPLSRQDFUMAAPP-YPMHNXCESA-N 0 0 402.472 4.274 20 5 HIBDRN CCOCCCNC(=O)[C@@H](C)Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000021767957 846493789 /nfs/dbraw/zinc/49/37/89/846493789.db2.gz ZAXSZPRMPCEHRU-OAHLLOKOSA-N 0 0 408.527 4.059 20 5 HIBDRN Cc1cc(=O)c(C(=O)Nc2cc(Cl)ccc2Cl)nn1-c1ccccc1[N+](=O)[O-] ZINC000021887622 846506719 /nfs/dbraw/zinc/50/67/19/846506719.db2.gz ZXHYRERXIMGMMY-UHFFFAOYSA-N 0 0 419.224 4.008 20 5 HIBDRN Cc1cc(=O)c(C(=O)Nc2ccc(Cl)c(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] ZINC000021887565 846506915 /nfs/dbraw/zinc/50/69/15/846506915.db2.gz XAKMUYCBTKLNOT-UHFFFAOYSA-N 0 0 419.224 4.008 20 5 HIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)cc1[N+](=O)[O-] ZINC000022162524 846538815 /nfs/dbraw/zinc/53/88/15/846538815.db2.gz GDUPZRNKQHSAHM-ZIAGYGMSSA-N 0 0 414.483 4.230 20 5 HIBDRN CCN(C(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C)c1ccccc1 ZINC000022253083 846550001 /nfs/dbraw/zinc/55/00/01/846550001.db2.gz GEWMASQWFLODRD-UHFFFAOYSA-N 0 0 403.507 4.232 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000022289648 846554342 /nfs/dbraw/zinc/55/43/42/846554342.db2.gz SMNDFWBIDJUONC-CYBMUJFWSA-N 0 0 406.533 4.157 20 5 HIBDRN COc1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000022403170 846566060 /nfs/dbraw/zinc/56/60/60/846566060.db2.gz LTVMXQWIDCSZTQ-UHFFFAOYSA-N 0 0 407.426 4.476 20 5 HIBDRN CCc1nc(CCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)sc1C ZINC000436360794 861692366 /nfs/dbraw/zinc/69/23/66/861692366.db2.gz GNJPYFZSTLDGJN-UHFFFAOYSA-N 0 0 409.486 4.120 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000022435960 846570465 /nfs/dbraw/zinc/57/04/65/846570465.db2.gz GXNDKNNIRPSBBO-UHFFFAOYSA-N 0 0 412.486 4.162 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000022469816 846575119 /nfs/dbraw/zinc/57/51/19/846575119.db2.gz IDZFHZQJFCFKBN-QWHCGFSZSA-N 0 0 402.834 4.161 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000022469826 846575408 /nfs/dbraw/zinc/57/54/08/846575408.db2.gz IDZFHZQJFCFKBN-STQMWFEESA-N 0 0 402.834 4.161 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000022548011 846584397 /nfs/dbraw/zinc/58/43/97/846584397.db2.gz WPJXDQIATGUOKL-VXGBXAGGSA-N 0 0 416.817 4.417 20 5 HIBDRN CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000022671225 846601134 /nfs/dbraw/zinc/60/11/34/846601134.db2.gz NUGBUHYCHSSODQ-AWEZNQCLSA-N 0 0 422.393 4.241 20 5 HIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1c2ccccc2CC[C@H]1C ZINC000022795271 846621867 /nfs/dbraw/zinc/62/18/67/846621867.db2.gz NLOSGOVRVMRMNM-CHWSQXEVSA-N 0 0 402.834 4.161 20 5 HIBDRN Cc1cc(C)c(NC(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 ZINC000022879795 846632247 /nfs/dbraw/zinc/63/22/47/846632247.db2.gz NWMFAOAWQUMIFH-UHFFFAOYSA-N 0 0 421.247 4.078 20 5 HIBDRN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000022923535 846637988 /nfs/dbraw/zinc/63/79/88/846637988.db2.gz BUKPHXBIOQNUMZ-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN O=C(/C=C/c1cccc(F)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000022920040 846638022 /nfs/dbraw/zinc/63/80/22/846638022.db2.gz DGGOIWSHNJLIAT-QPJJXVBHSA-N 0 0 423.366 4.115 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)OC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000022941166 846639986 /nfs/dbraw/zinc/63/99/86/846639986.db2.gz AETXFOHGYOFZDE-HOTGVXAUSA-N 0 0 406.438 4.100 20 5 HIBDRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c12 ZINC000023015140 846648117 /nfs/dbraw/zinc/64/81/17/846648117.db2.gz COBJYOXZCZUVOY-UHFFFAOYSA-N 0 0 407.455 4.474 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCCCOc1ccc(F)cc1 ZINC000023077137 846657482 /nfs/dbraw/zinc/65/74/82/846657482.db2.gz VXQROGBXIJODHA-UHFFFAOYSA-N 0 0 405.425 4.306 20 5 HIBDRN CCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000023207602 846669516 /nfs/dbraw/zinc/66/95/16/846669516.db2.gz NOILRECPHHEJJE-OAHLLOKOSA-N 0 0 400.431 4.266 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000023222258 846672283 /nfs/dbraw/zinc/67/22/83/846672283.db2.gz SSCIBKBSSDLGHR-HNNXBMFYSA-N 0 0 415.789 4.191 20 5 HIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000023344492 846686779 /nfs/dbraw/zinc/68/67/79/846686779.db2.gz RZEICVWVRCTBFY-CQSZACIVSA-N 0 0 410.451 4.431 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000023384597 846692499 /nfs/dbraw/zinc/69/24/99/846692499.db2.gz PIEVYEYGYVMCJN-FOIQADDNSA-N 0 0 400.500 4.048 20 5 HIBDRN O=C(NCc1cccc(OCC(F)F)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436370578 861708464 /nfs/dbraw/zinc/70/84/64/861708464.db2.gz OIVWTNGSQHOIFO-UHFFFAOYSA-N 0 0 408.404 4.255 20 5 HIBDRN C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000023493964 846709385 /nfs/dbraw/zinc/70/93/85/846709385.db2.gz INFLCCUWQOMBGS-MRXNPFEDSA-N 0 0 404.422 4.331 20 5 HIBDRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000023503623 846710464 /nfs/dbraw/zinc/71/04/64/846710464.db2.gz GUTKLJDYUVEWRM-SFHVURJKSA-N 0 0 404.850 4.323 20 5 HIBDRN Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2-c2ccncc2)cc1C ZINC000023615821 846729227 /nfs/dbraw/zinc/72/92/27/846729227.db2.gz KJCMXQDHMJFNPH-UHFFFAOYSA-N 0 0 404.455 4.401 20 5 HIBDRN CCOc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2-c2ccncc2)cc1 ZINC000023616301 846729638 /nfs/dbraw/zinc/72/96/38/846729638.db2.gz MVWHOXHMGWPGHD-UHFFFAOYSA-N 0 0 420.454 4.182 20 5 HIBDRN CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000023768221 846747882 /nfs/dbraw/zinc/74/78/82/846747882.db2.gz LXMLQZNLJHQZTB-HNNXBMFYSA-N 0 0 413.474 4.057 20 5 HIBDRN Cc1cc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)ccc1[N+](=O)[O-] ZINC000023918816 846758817 /nfs/dbraw/zinc/75/88/17/846758817.db2.gz HKGXQWWTVCTIPR-HNNXBMFYSA-N 0 0 410.499 4.032 20 5 HIBDRN Cc1nn(C)c2ncc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc12 ZINC000024032798 846777822 /nfs/dbraw/zinc/77/78/22/846777822.db2.gz JFILBHSLQCSXSR-UHFFFAOYSA-N 0 0 416.441 4.049 20 5 HIBDRN CN(Cc1ccccc1OC(F)(F)F)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000024208710 846801713 /nfs/dbraw/zinc/80/17/13/846801713.db2.gz XYJHRSZDQFIYOJ-UHFFFAOYSA-N 0 0 409.364 4.022 20 5 HIBDRN CC(C)c1ccc(OCc2nnc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)n2N)cc1 ZINC000024271300 846807828 /nfs/dbraw/zinc/80/78/28/846807828.db2.gz XHDHEIVVDZYZHM-AWEZNQCLSA-N 0 0 413.503 4.456 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)OCc3cccc(F)c3F)cc2)c(C)c1[N+](=O)[O-] ZINC000024423001 846821988 /nfs/dbraw/zinc/82/19/88/846821988.db2.gz LVFUJGLHEPBDAV-UHFFFAOYSA-N 0 0 401.369 4.092 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccccc1OC(F)F ZINC000024505720 846833211 /nfs/dbraw/zinc/83/32/11/846833211.db2.gz ARUJRNGVXVBPCD-UHFFFAOYSA-N 0 0 408.404 4.073 20 5 HIBDRN CCOc1ccc(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])cc1OCC ZINC000024819238 846872197 /nfs/dbraw/zinc/87/21/97/846872197.db2.gz ZFJDKVZNIDDYHY-UHFFFAOYSA-N 0 0 404.419 4.052 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1 ZINC000024851384 846876239 /nfs/dbraw/zinc/87/62/39/846876239.db2.gz QUMIHLBGGITEII-UHFFFAOYSA-N 0 0 418.862 4.173 20 5 HIBDRN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2sc3ccccc3c2Cl)C1=O ZINC000024883090 846882082 /nfs/dbraw/zinc/88/20/82/846882082.db2.gz SHMNBPBPXXKNMV-IBGZPJMESA-N 0 0 415.858 4.430 20 5 HIBDRN O=C(Nc1ccccc1-n1cncn1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000025005377 846903058 /nfs/dbraw/zinc/90/30/58/846903058.db2.gz PCTHAOSLDPGTEJ-UHFFFAOYSA-N 0 0 400.398 4.171 20 5 HIBDRN Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)CSc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000025062399 846915132 /nfs/dbraw/zinc/91/51/32/846915132.db2.gz GPGGBWJNDLVQFN-OAHLLOKOSA-N 0 0 402.472 4.183 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NC2CCN(C(=O)c3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000025072564 846917698 /nfs/dbraw/zinc/91/76/98/846917698.db2.gz JKQJJIUTQCUPAN-UHFFFAOYSA-N 0 0 419.437 4.136 20 5 HIBDRN Cc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC000025097894 846925093 /nfs/dbraw/zinc/92/50/93/846925093.db2.gz QQTUGBOKHLAGJI-GFCCVEGCSA-N 0 0 417.878 4.257 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)NC2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000025246398 846946824 /nfs/dbraw/zinc/94/68/24/846946824.db2.gz SIJMMOLELHAMQT-UHFFFAOYSA-N 0 0 421.563 4.110 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000025255654 846949275 /nfs/dbraw/zinc/94/92/75/846949275.db2.gz BWPVSHGVPUXRLZ-CYBMUJFWSA-N 0 0 411.380 4.261 20 5 HIBDRN CCC(CC)C(=O)N1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000025337549 846962971 /nfs/dbraw/zinc/96/29/71/846962971.db2.gz MUIPVHUFKLXBMD-UHFFFAOYSA-N 0 0 424.501 4.059 20 5 HIBDRN CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000025387041 846971702 /nfs/dbraw/zinc/97/17/02/846971702.db2.gz SVBURTNVLLJSCK-LBPRGKRZSA-N 0 0 406.822 4.139 20 5 HIBDRN COc1ccc(C(=O)OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1[N+](=O)[O-] ZINC000025462397 846981477 /nfs/dbraw/zinc/98/14/77/846981477.db2.gz KMFAAWMQTBTISU-UHFFFAOYSA-N 0 0 423.303 4.029 20 5 HIBDRN O=c1[nH]cnc2cc(NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c([N+](=O)[O-])cc12 ZINC000025573295 847004097 /nfs/dbraw/zinc/00/40/97/847004097.db2.gz XZLQFEHJVSDZEQ-HTQZYQBOSA-N 0 0 424.301 4.153 20 5 HIBDRN COc1ccc(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1OC(F)F ZINC000436399199 861745580 /nfs/dbraw/zinc/74/55/80/861745580.db2.gz IIEPFEZXFOJVJN-UHFFFAOYSA-N 0 0 407.295 4.273 20 5 HIBDRN O=C(c1ccccc1)N1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000025813653 847041696 /nfs/dbraw/zinc/04/16/96/847041696.db2.gz PPCAYRYEILCWFV-UHFFFAOYSA-N 0 0 413.783 4.229 20 5 HIBDRN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000025919183 847057208 /nfs/dbraw/zinc/05/72/08/847057208.db2.gz VSBGTZBTOOHVMK-HNNXBMFYSA-N 0 0 407.474 4.306 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000026113134 847087875 /nfs/dbraw/zinc/08/78/75/847087875.db2.gz YWJFWMHCDYREGA-UHFFFAOYSA-N 0 0 416.739 4.371 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000026118129 847089097 /nfs/dbraw/zinc/08/90/97/847089097.db2.gz MPYGAOBBLAVGSA-LLVKDONJSA-N 0 0 411.241 4.244 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(Cl)s1 ZINC000026167892 847098929 /nfs/dbraw/zinc/09/89/29/847098929.db2.gz WIVMMYSXJQYCMJ-UHFFFAOYSA-N 0 0 422.816 4.240 20 5 HIBDRN COc1ccc(-c2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1 ZINC000026220048 847105247 /nfs/dbraw/zinc/10/52/47/847105247.db2.gz 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O=Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000026535839 847165066 /nfs/dbraw/zinc/16/50/66/847165066.db2.gz AGFKBLWXRYVRJI-UHFFFAOYSA-N 0 0 402.712 4.097 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nnc2ccccn21 ZINC000026555818 847168814 /nfs/dbraw/zinc/16/88/14/847168814.db2.gz KCPRBBFLOFAQQN-CQSZACIVSA-N 0 0 419.466 4.280 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c(C)c1 ZINC000026639844 847178913 /nfs/dbraw/zinc/17/89/13/847178913.db2.gz SEEXZGZDIBFJCU-UHFFFAOYSA-N 0 0 420.469 4.357 20 5 HIBDRN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000026768009 847195685 /nfs/dbraw/zinc/19/56/85/847195685.db2.gz DNOKHBPKGSAAKY-UHFFFAOYSA-N 0 0 422.459 4.109 20 5 HIBDRN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000026846680 847207953 /nfs/dbraw/zinc/20/79/53/847207953.db2.gz GIXWGCKJIZBKSP-AWEZNQCLSA-N 0 0 416.861 4.232 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000027006987 847233733 /nfs/dbraw/zinc/23/37/33/847233733.db2.gz XSEORRHLFKLGLV-SECBINFHSA-N 0 0 413.213 4.094 20 5 HIBDRN Cc1nc2ccccc2c(C)c1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000027011785 847234907 /nfs/dbraw/zinc/23/49/07/847234907.db2.gz BXQNZACSYFVPAW-OAHLLOKOSA-N 0 0 407.426 4.252 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc([N+](=O)[O-])c1 ZINC000027279322 847276983 /nfs/dbraw/zinc/27/69/83/847276983.db2.gz SOIXKWNRWKLNAO-UHFFFAOYSA-N 0 0 424.384 4.352 20 5 HIBDRN COc1ccc(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000027289048 847279105 /nfs/dbraw/zinc/27/91/05/847279105.db2.gz DRCQAZZTGNRCGT-UHFFFAOYSA-N 0 0 408.401 4.432 20 5 HIBDRN NC(=O)N[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Oc2ccccc2)c1 ZINC000027343969 847286103 /nfs/dbraw/zinc/28/61/03/847286103.db2.gz WEFCWHIYUOGMLK-FQEVSTJZSA-N 0 0 420.425 4.125 20 5 HIBDRN O=C1CCc2cc(Nc3c(F)cc([N+](=O)[O-])cc3F)ccc2N1CC(F)(F)F ZINC000436420681 861775472 /nfs/dbraw/zinc/77/54/72/861775472.db2.gz FKFSVNXUXZSEKQ-UHFFFAOYSA-N 0 0 401.291 4.458 20 5 HIBDRN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000027423651 847300690 /nfs/dbraw/zinc/30/06/90/847300690.db2.gz FJGXNWPOVCHOOU-UHFFFAOYSA-N 0 0 413.474 4.002 20 5 HIBDRN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000027445938 847304306 /nfs/dbraw/zinc/30/43/06/847304306.db2.gz LJRCKSJDYXZMFC-UHFFFAOYSA-N 0 0 403.847 4.465 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC000027900326 847361965 /nfs/dbraw/zinc/36/19/65/847361965.db2.gz INKICAAWWBABGC-VGOFRKELSA-N 0 0 409.486 4.045 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc2[N+](=O)[O-])CC1 ZINC000027900318 847362283 /nfs/dbraw/zinc/36/22/83/847362283.db2.gz HFHAKPHYUGAKDS-QFIPXVFZSA-N 0 0 409.486 4.045 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)O[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1[N+](=O)[O-] ZINC000027920244 847364527 /nfs/dbraw/zinc/36/45/27/847364527.db2.gz VSILLMXAOUOOTF-HNNXBMFYSA-N 0 0 424.413 4.283 20 5 HIBDRN CCOc1cc(C(=O)OCC(=O)c2oc3ccccc3c2C)c([N+](=O)[O-])cc1OC ZINC000028000501 847373755 /nfs/dbraw/zinc/37/37/55/847373755.db2.gz YUGLWYAKVOPDHJ-UHFFFAOYSA-N 0 0 413.382 4.096 20 5 HIBDRN CCCCOc1ccc(OC)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000028017671 847376065 /nfs/dbraw/zinc/37/60/65/847376065.db2.gz LNCTTZQHOYTNRS-UHFFFAOYSA-N 0 0 410.430 4.220 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000028045663 847380173 /nfs/dbraw/zinc/38/01/73/847380173.db2.gz QTUSEGKSMNXNNP-OAHLLOKOSA-N 0 0 422.503 4.329 20 5 HIBDRN CCc1nccn1[C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436426543 861784871 /nfs/dbraw/zinc/78/48/71/861784871.db2.gz XBVJUPNFIIMKII-HNNXBMFYSA-N 0 0 418.472 4.057 20 5 HIBDRN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436425538 861785422 /nfs/dbraw/zinc/78/54/22/861785422.db2.gz QWMACRPFIYCWPN-LJQANCHMSA-N 0 0 418.472 4.148 20 5 HIBDRN Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1[N+](=O)[O-] ZINC000028415928 847417856 /nfs/dbraw/zinc/41/78/56/847417856.db2.gz PQDPJKYILLJIJN-GOSISDBHSA-N 0 0 405.857 4.263 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cnn(-c2ccccc2)c1 ZINC000029073664 847501021 /nfs/dbraw/zinc/50/10/21/847501021.db2.gz DMULEUOARREZFR-UHFFFAOYSA-N 0 0 409.445 4.084 20 5 HIBDRN Cn1ccnc1[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1F ZINC000029086605 847503030 /nfs/dbraw/zinc/50/30/30/847503030.db2.gz WXZMVZLDHCOFRC-GOSISDBHSA-N 0 0 410.430 4.202 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2cccc(NC(N)=O)c2)cc1[N+](=O)[O-] ZINC000029149065 847514625 /nfs/dbraw/zinc/51/46/25/847514625.db2.gz JGVJWXJQNMYCKX-UHFFFAOYSA-N 0 0 402.476 4.476 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NCc2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000029293896 847541584 /nfs/dbraw/zinc/54/15/84/847541584.db2.gz AVELWIZSZAEBIC-UHFFFAOYSA-N 0 0 420.421 4.233 20 5 HIBDRN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCc1ccc(Cl)c(Cl)c1 ZINC000029358105 847550902 /nfs/dbraw/zinc/55/09/02/847550902.db2.gz IEJMPUZFYDQPEM-UHFFFAOYSA-N 0 0 417.632 4.028 20 5 HIBDRN O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000029356032 847551070 /nfs/dbraw/zinc/55/10/70/847551070.db2.gz ZVTYEVGBDGWBAI-UHFFFAOYSA-N 0 0 411.484 4.061 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 ZINC000436441407 861803493 /nfs/dbraw/zinc/80/34/93/861803493.db2.gz YEZIEKLBDOSUOL-AWEZNQCLSA-N 0 0 406.719 4.429 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c2cnn(Cc3cccs3)c2n1 ZINC000029599997 847586703 /nfs/dbraw/zinc/58/67/03/847586703.db2.gz ZHARBODVNJCLOU-UHFFFAOYSA-N 0 0 407.455 4.318 20 5 HIBDRN Cc1csc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)n1 ZINC000029887362 847640899 /nfs/dbraw/zinc/64/08/99/847640899.db2.gz YDFJRYGFOMFYCV-UHFFFAOYSA-N 0 0 406.514 4.206 20 5 HIBDRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029889040 847642125 /nfs/dbraw/zinc/64/21/25/847642125.db2.gz YAKRVQJDHNYDAA-UHFFFAOYSA-N 0 0 417.425 4.383 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000436465703 861814795 /nfs/dbraw/zinc/81/47/95/861814795.db2.gz XIRLWVAZGWLJQH-VIFPVBQESA-N 0 0 410.293 4.484 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000030289609 847698876 /nfs/dbraw/zinc/69/88/76/847698876.db2.gz QDZBLHLDCKHMOR-UHFFFAOYSA-N 0 0 415.398 4.041 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000030316777 847701297 /nfs/dbraw/zinc/70/12/97/847701297.db2.gz VQPQTPYRBRVXNQ-NSHDSACASA-N 0 0 420.256 4.316 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000030317128 847701811 /nfs/dbraw/zinc/70/18/11/847701811.db2.gz ZEUKWTQVTQAPDK-LBPRGKRZSA-N 0 0 424.284 4.241 20 5 HIBDRN COc1ccc(CN([C@H](C)C2CC2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000030336883 847704218 /nfs/dbraw/zinc/70/42/18/847704218.db2.gz QSKBLMGXZMHEAK-CYBMUJFWSA-N 0 0 424.906 4.246 20 5 HIBDRN CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000030371512 847707725 /nfs/dbraw/zinc/70/77/25/847707725.db2.gz ABMDLQQUSDQPCB-GFCCVEGCSA-N 0 0 420.821 4.279 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000030497678 847722936 /nfs/dbraw/zinc/72/29/36/847722936.db2.gz UVLYZEPVXQXUBD-UHFFFAOYSA-N 0 0 404.488 4.080 20 5 HIBDRN CC(C)COc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1Cl ZINC000030512449 847725791 /nfs/dbraw/zinc/72/57/91/847725791.db2.gz YLLWMZISBKHRKO-UHFFFAOYSA-N 0 0 415.837 4.116 20 5 HIBDRN CC(C)(CO)[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 ZINC000436505548 861829283 /nfs/dbraw/zinc/82/92/83/861829283.db2.gz TYOMRXNGWUECOA-CQSZACIVSA-N 0 0 415.418 4.139 20 5 HIBDRN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000031092531 847821957 /nfs/dbraw/zinc/82/19/57/847821957.db2.gz QJBQPRZVUIQLGW-QGZVFWFLSA-N 0 0 406.845 4.346 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)c1 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HIBDRN CC(C)[C@@H](C)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000031717068 847936429 /nfs/dbraw/zinc/93/64/29/847936429.db2.gz NTXGYPYPFPYLNX-CYBMUJFWSA-N 0 0 401.429 4.333 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2F)c([N+](=O)[O-])c1 ZINC000031721593 847937931 /nfs/dbraw/zinc/93/79/31/847937931.db2.gz FDVPZXUTXQASOZ-UHFFFAOYSA-N 0 0 402.403 4.210 20 5 HIBDRN Cc1ccn2c(=O)cc(COc3ccc([N+](=O)[O-])cc3Cc3ccccc3)nc2c1 ZINC000031767627 847945598 /nfs/dbraw/zinc/94/55/98/847945598.db2.gz LUTAFJGZCRXNQR-UHFFFAOYSA-N 0 0 401.422 4.081 20 5 HIBDRN CC(=O)NCc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)cc1 ZINC000031767678 847945746 /nfs/dbraw/zinc/94/57/46/847945746.db2.gz GBLFBCAWWBENFP-UHFFFAOYSA-N 0 0 418.449 4.083 20 5 HIBDRN CSc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1[N+](=O)[O-] ZINC000031786445 847948595 /nfs/dbraw/zinc/94/85/95/847948595.db2.gz FMZARCIRGAHDGP-UHFFFAOYSA-N 0 0 423.897 4.067 20 5 HIBDRN Cc1sc2nc(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])nc(N)c2c1C ZINC000031822225 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20 5 HIBDRN CCOc1ccc(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000032017310 847978558 /nfs/dbraw/zinc/97/85/58/847978558.db2.gz HHVHREVQOXUCPP-HNNXBMFYSA-N 0 0 417.893 4.166 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000032407398 848020146 /nfs/dbraw/zinc/02/01/46/848020146.db2.gz ZXTVBZGMTNQGJD-UHFFFAOYSA-N 0 0 404.488 4.080 20 5 HIBDRN Cc1c(C(=O)NC(c2ccccc2)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000032451247 848030622 /nfs/dbraw/zinc/03/06/22/848030622.db2.gz QWEIBWSRDNARIB-UHFFFAOYSA-N 0 0 413.437 4.003 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)c([N+](=O)[O-])cc1OC ZINC000032465759 848033053 /nfs/dbraw/zinc/03/30/53/848033053.db2.gz OKQCJPWMVBBMMJ-UHFFFAOYSA-N 0 0 412.446 4.428 20 5 HIBDRN Cc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000032517013 848042850 /nfs/dbraw/zinc/04/28/50/848042850.db2.gz KLSRENMHFPCIGU-UHFFFAOYSA-N 0 0 423.400 4.312 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000032537768 848044171 /nfs/dbraw/zinc/04/41/71/848044171.db2.gz DCEFHQZMXGIBFX-UHFFFAOYSA-N 0 0 414.421 4.163 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032921267 848092719 /nfs/dbraw/zinc/09/27/19/848092719.db2.gz MYWIKXMGHVHDQX-UHFFFAOYSA-N 0 0 413.437 4.191 20 5 HIBDRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032939308 848094583 /nfs/dbraw/zinc/09/45/83/848094583.db2.gz JZLVDRDWESXFIJ-UHFFFAOYSA-N 0 0 424.310 4.113 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(C(F)(F)F)c1 ZINC000033157232 848116043 /nfs/dbraw/zinc/11/60/43/848116043.db2.gz SPPBZMFLSFXXJE-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc1 ZINC000033227525 848128592 /nfs/dbraw/zinc/12/85/92/848128592.db2.gz MVEXARGCXHAHBT-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(Br)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000033600453 848138008 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COc1cc(-c2nc3cc(Br)ccc3n2C2CC2)c([N+](=O)[O-])cc1O ZINC000436658975 861884643 /nfs/dbraw/zinc/88/46/43/861884643.db2.gz XGYJWZTYZRJZAF-UHFFFAOYSA-N 0 0 404.220 4.423 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000042087551 848283976 /nfs/dbraw/zinc/28/39/76/848283976.db2.gz MCNXFPAZDNGNNI-QGZVFWFLSA-N 0 0 415.858 4.154 20 5 HIBDRN O=C(Nc1ccc(Br)cc1Br)c1csc([N+](=O)[O-])c1 ZINC000042567897 848329517 /nfs/dbraw/zinc/32/95/17/848329517.db2.gz JNRKBIWHJZINJI-UHFFFAOYSA-N 0 0 406.055 4.434 20 5 HIBDRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000042731066 848348097 /nfs/dbraw/zinc/34/80/97/848348097.db2.gz YKACEGNUEZIBHU-UHFFFAOYSA-N 0 0 416.840 4.482 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(F)ccc1Br ZINC000042918310 848365955 /nfs/dbraw/zinc/36/59/55/848365955.db2.gz OJYLOOVNCDZTEW-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN O=C(NCc1ccsc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000042936814 848367500 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Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CCCC2)c1 ZINC000045344013 848668340 /nfs/dbraw/zinc/66/83/40/848668340.db2.gz ZWZSSERHZVVPFY-UHFFFAOYSA-N 0 0 416.499 4.245 20 5 HIBDRN Cc1ccc([C@H](C)N(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 ZINC000045417887 848678543 /nfs/dbraw/zinc/67/85/43/848678543.db2.gz GMHJASAZTSNAGS-AWEZNQCLSA-N 0 0 411.487 4.016 20 5 HIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000045560536 848691908 /nfs/dbraw/zinc/69/19/08/848691908.db2.gz YJUROPMHSBNDLL-KUHUBIRLSA-N 0 0 416.499 4.456 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000045560530 848692223 /nfs/dbraw/zinc/69/22/23/848692223.db2.gz YJUROPMHSBNDLL-AUUYWEPGSA-N 0 0 416.499 4.456 20 5 HIBDRN CC[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000045608724 848701196 /nfs/dbraw/zinc/70/11/96/848701196.db2.gz BSPUGTNHSIKHES-QGZVFWFLSA-N 0 0 402.882 4.231 20 5 HIBDRN CSc1ccc(-c2csc(NC(=O)COc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000045714490 848716308 /nfs/dbraw/zinc/71/63/08/848716308.db2.gz GJXSAKOTXAFUEU-UHFFFAOYSA-N 0 0 401.469 4.458 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)NCc2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000045777204 848725863 /nfs/dbraw/zinc/72/58/63/848725863.db2.gz PBGKJIZJDDKDQV-UHFFFAOYSA-N 0 0 416.503 4.154 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000045934669 848754022 /nfs/dbraw/zinc/75/40/22/848754022.db2.gz FFRQMRQMJMAYBT-UHFFFAOYSA-N 0 0 411.277 4.238 20 5 HIBDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000045960522 848759334 /nfs/dbraw/zinc/75/93/34/848759334.db2.gz NTIHDHHCWCCYBJ-CYBMUJFWSA-N 0 0 411.483 4.268 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2cccc(Cl)c2Cl)cc1OC ZINC000046205428 848802255 /nfs/dbraw/zinc/80/22/55/848802255.db2.gz ZURYOQADIGIJTN-UHFFFAOYSA-N 0 0 413.257 4.281 20 5 HIBDRN Cc1sc2nc(C)nc(SCC(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2c1C ZINC000046223392 848806235 /nfs/dbraw/zinc/80/62/35/848806235.db2.gz SPTHHTBYVWDXDX-UHFFFAOYSA-N 0 0 416.528 4.275 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] ZINC000046458359 848853001 /nfs/dbraw/zinc/85/30/01/848853001.db2.gz MNIOCZXBMYYWSD-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000046501511 848862320 /nfs/dbraw/zinc/86/23/20/848862320.db2.gz UQMHHSAFLZGOFS-IBGZPJMESA-N 0 0 411.458 4.005 20 5 HIBDRN CCOc1cc(F)ccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000046519942 848866033 /nfs/dbraw/zinc/86/60/33/848866033.db2.gz CDAKPDXTZSTRHO-UHFFFAOYSA-N 0 0 412.421 4.247 20 5 HIBDRN CN(CC(=O)Nc1ccccc1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000046619383 848888887 /nfs/dbraw/zinc/88/88/87/848888887.db2.gz BYFUCRLCSVIIIF-UHFFFAOYSA-N 0 0 404.426 4.049 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000046717323 848917686 /nfs/dbraw/zinc/91/76/86/848917686.db2.gz VICARGKUUXOJQG-UHFFFAOYSA-N 0 0 405.838 4.037 20 5 HIBDRN COc1ccc(Br)c(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000046738654 848923498 /nfs/dbraw/zinc/92/34/98/848923498.db2.gz NDOQJCLGJLBQJA-UHFFFAOYSA-N 0 0 411.277 4.018 20 5 HIBDRN Cc1ncc(CN(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000046771029 848931487 /nfs/dbraw/zinc/93/14/87/848931487.db2.gz KPTOOALGGCOBIU-UHFFFAOYSA-N 0 0 405.423 4.129 20 5 HIBDRN Cc1sc(C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC000047162137 848994636 /nfs/dbraw/zinc/99/46/36/848994636.db2.gz AJEMODGBFPYTGC-UHFFFAOYSA-N 0 0 414.512 4.232 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCCc4ccc(F)cc43)cc2)c(C)c1[N+](=O)[O-] ZINC000047370452 849033389 /nfs/dbraw/zinc/03/33/89/849033389.db2.gz QCXBIDPKCXPTBM-UHFFFAOYSA-N 0 0 408.433 4.189 20 5 HIBDRN C[C@@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000047503015 849058113 /nfs/dbraw/zinc/05/81/13/849058113.db2.gz HKHAECUPQNUCBF-GFCCVEGCSA-N 0 0 402.838 4.258 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000047840046 849125021 /nfs/dbraw/zinc/12/50/21/849125021.db2.gz BDKHPOQWLBXLLV-UHFFFAOYSA-N 0 0 404.854 4.052 20 5 HIBDRN CC(C)(C)[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000047900403 849134314 /nfs/dbraw/zinc/13/43/14/849134314.db2.gz TZYVMAMSQMWVOS-FQEVSTJZSA-N 0 0 411.458 4.187 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000048099585 849165179 /nfs/dbraw/zinc/16/51/79/849165179.db2.gz WDLYJDSAKYUZGI-MRXNPFEDSA-N 0 0 410.474 4.494 20 5 HIBDRN Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000048297087 849205372 /nfs/dbraw/zinc/20/53/72/849205372.db2.gz ZKIMKGFUQFDBAV-FQEVSTJZSA-N 0 0 416.437 4.199 20 5 HIBDRN O=C(Nc1ccc2c(c1)oc1ccccc12)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000048328286 849207636 /nfs/dbraw/zinc/20/76/36/849207636.db2.gz OFZRUZJPNNROMS-UHFFFAOYSA-N 0 0 417.425 4.243 20 5 HIBDRN COc1cc([C@H](C)NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000048340134 849208804 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ZINC000059919610 851023943 /nfs/dbraw/zinc/02/39/43/851023943.db2.gz SEGCQRKWQXUGOM-UHFFFAOYSA-N 0 0 420.219 4.075 20 5 HIBDRN Cc1ccc(C(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000060098127 851041235 /nfs/dbraw/zinc/04/12/35/851041235.db2.gz ZVFWJPNWLKXBPT-OAQYLSRUSA-N 0 0 400.438 4.309 20 5 HIBDRN CCCOCc1ccccc1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000060159968 851046395 /nfs/dbraw/zinc/04/63/95/851046395.db2.gz QDKZVLOWAMZEOP-UHFFFAOYSA-N 0 0 408.458 4.098 20 5 HIBDRN Cc1cccc(CCNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000060323275 851063971 /nfs/dbraw/zinc/06/39/71/851063971.db2.gz DDTGUTYIKGRXOS-QGZVFWFLSA-N 0 0 404.470 4.444 20 5 HIBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1C ZINC000060390533 851087231 /nfs/dbraw/zinc/08/72/31/851087231.db2.gz WJGXHAOMVLXROH-QGZVFWFLSA-N 0 0 421.906 4.047 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N(CCc1ccccc1)Cc1cccnc1 ZINC000060415841 851093363 /nfs/dbraw/zinc/09/33/63/851093363.db2.gz 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COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCCOC2CCCC2)cc1 ZINC000061255474 851331229 /nfs/dbraw/zinc/33/12/29/851331229.db2.gz HCFRSKZBSSLIIR-UHFFFAOYSA-N 0 0 414.458 4.475 20 5 HIBDRN Cc1c(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cccc1[N+](=O)[O-] ZINC000061523485 851394301 /nfs/dbraw/zinc/39/43/01/851394301.db2.gz LZTONCYHNYCJRK-UHFFFAOYSA-N 0 0 400.438 4.231 20 5 HIBDRN CCCn1ccc2cc(NC(=O)C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc21 ZINC000437052073 862245356 /nfs/dbraw/zinc/24/53/56/862245356.db2.gz UOXOKOSWFAVWEF-UHFFFAOYSA-N 0 0 420.469 4.089 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000061912558 851472054 /nfs/dbraw/zinc/47/20/54/851472054.db2.gz MCBBZOZAGJBFRC-FQEVSTJZSA-N 0 0 423.856 4.401 20 5 HIBDRN CCCc1ccc([C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C(C)C)cc1 ZINC000061966779 851482018 /nfs/dbraw/zinc/48/20/18/851482018.db2.gz UDJLJACCFGIAMI-HXUWFJFHSA-N 0 0 413.474 4.008 20 5 HIBDRN CCOCCOc1c(Cl)cccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000062917477 851605402 /nfs/dbraw/zinc/60/54/02/851605402.db2.gz DJTSMSLGFPUQBI-UHFFFAOYSA-N 0 0 410.879 4.394 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])NCCCOc1ccc(Cl)cc1Cl ZINC000063261551 851643481 /nfs/dbraw/zinc/64/34/81/851643481.db2.gz ABMPIJJIUDMLKX-UHFFFAOYSA-N 0 0 413.257 4.256 20 5 HIBDRN CCCCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)[C@H](C)CCC ZINC000063327668 851662253 /nfs/dbraw/zinc/66/22/53/851662253.db2.gz MPOUFFSDJGUREM-MRXNPFEDSA-N 0 0 414.506 4.270 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(Cl)c(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000063344869 851667731 /nfs/dbraw/zinc/66/77/31/851667731.db2.gz PGEANVOPYJCYIA-UHFFFAOYSA-N 0 0 423.878 4.087 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)cc([N+](=O)[O-])c1 ZINC000437078882 862274510 /nfs/dbraw/zinc/27/45/10/862274510.db2.gz BQEWJQTUGBLUHU-UHFFFAOYSA-N 0 0 422.441 4.135 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000063471096 851697657 /nfs/dbraw/zinc/69/76/57/851697657.db2.gz CGGCLVOMCQWESP-UHFFFAOYSA-N 0 0 411.408 4.499 20 5 HIBDRN O=C(CNC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000063471181 851697857 /nfs/dbraw/zinc/69/78/57/851697857.db2.gz POOWLPGJNZOSHZ-UHFFFAOYSA-N 0 0 423.419 4.141 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000063469961 851698155 /nfs/dbraw/zinc/69/81/55/851698155.db2.gz GCQSFVQMFPRSOW-UHFFFAOYSA-N 0 0 410.474 4.016 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1cccc(Br)c1)C1CC1 ZINC000063496188 851703182 /nfs/dbraw/zinc/70/31/82/851703182.db2.gz RWHCCYOQRVPXLE-UHFFFAOYSA-N 0 0 418.291 4.269 20 5 HIBDRN Cn1c(SCCCS(=O)(=O)c2ccccc2)nc2cc3ccccc3cc2c1=O ZINC000063534033 851708638 /nfs/dbraw/zinc/70/86/38/851708638.db2.gz IKLYCYSAZNUSIT-UHFFFAOYSA-N 0 0 424.547 4.043 20 5 HIBDRN CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000063789165 851763868 /nfs/dbraw/zinc/76/38/68/851763868.db2.gz NYIKLXIHRHZCNG-UHFFFAOYSA-N 0 0 424.270 4.271 20 5 HIBDRN CCCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000063951713 851803051 /nfs/dbraw/zinc/80/30/51/851803051.db2.gz NXFJBUXYUHIVDX-UHFFFAOYSA-N 0 0 401.426 4.386 20 5 HIBDRN COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242785 851855820 /nfs/dbraw/zinc/85/58/20/851855820.db2.gz OMMRCNTUZSUDMR-UHFFFAOYSA-N 0 0 424.525 4.118 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2)no1 ZINC000064330553 851872681 /nfs/dbraw/zinc/87/26/81/851872681.db2.gz DGEWODBOTRDJHH-UHFFFAOYSA-N 0 0 410.433 4.152 20 5 HIBDRN CCCOc1ccc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1OCCC ZINC000437106572 862294255 /nfs/dbraw/zinc/29/42/55/862294255.db2.gz HSVRXMPQHNZJRL-UHFFFAOYSA-N 0 0 412.486 4.300 20 5 HIBDRN CCCOCc1ccccc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064421035 851893936 /nfs/dbraw/zinc/89/39/36/851893936.db2.gz NRXWBQWANCTOBH-AWEZNQCLSA-N 0 0 406.866 4.259 20 5 HIBDRN O=C([C@H]1C[C@H]1c1ccccc1OC(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437107644 862295820 /nfs/dbraw/zinc/29/58/20/862295820.db2.gz ZPJNUPXULSFPPJ-IRXDYDNUSA-N 0 0 402.397 4.491 20 5 HIBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437110072 862297372 /nfs/dbraw/zinc/29/73/72/862297372.db2.gz ZMMBDBBWWBDPOG-UHFFFAOYSA-N 0 0 404.348 4.276 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)cc([N+](=O)[O-])c1 ZINC000437112899 862299278 /nfs/dbraw/zinc/29/92/78/862299278.db2.gz AANMNUFDFQDQGZ-UHFFFAOYSA-N 0 0 420.396 4.390 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1 ZINC000064671174 851950114 /nfs/dbraw/zinc/95/01/14/851950114.db2.gz REZKAPACJWDCST-AWEZNQCLSA-N 0 0 420.425 4.202 20 5 HIBDRN CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000437115600 862303167 /nfs/dbraw/zinc/30/31/67/862303167.db2.gz ONYIPMWPIJTJET-HXUWFJFHSA-N 0 0 416.449 4.250 20 5 HIBDRN Cc1ccc(NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000064727934 851969635 /nfs/dbraw/zinc/96/96/35/851969635.db2.gz WMIBNZUXMOPHEJ-CYBMUJFWSA-N 0 0 408.241 4.202 20 5 HIBDRN Cc1c(NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cccc1[N+](=O)[O-] ZINC000064731043 851969728 /nfs/dbraw/zinc/96/97/28/851969728.db2.gz KZFKJXOVJIYDLT-LBPRGKRZSA-N 0 0 408.241 4.202 20 5 HIBDRN CC(C)[C@@H](Oc1ccccc1Br)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000064778917 851982755 /nfs/dbraw/zinc/98/27/55/851982755.db2.gz KFVGFLMHEPWSNB-GOSISDBHSA-N 0 0 421.291 4.120 20 5 HIBDRN Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c12 ZINC000064781246 851983660 /nfs/dbraw/zinc/98/36/60/851983660.db2.gz ZNNOAJIJVGCKLN-UHFFFAOYSA-N 0 0 414.425 4.162 20 5 HIBDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437121678 862308785 /nfs/dbraw/zinc/30/87/85/862308785.db2.gz YCKMPLDIUYHXFO-UHFFFAOYSA-N 0 0 409.486 4.014 20 5 HIBDRN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064906329 852018309 /nfs/dbraw/zinc/01/83/09/852018309.db2.gz APJXDFWLOXQKJV-UHFFFAOYSA-N 0 0 422.466 4.207 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1Cl ZINC000064906770 852018373 /nfs/dbraw/zinc/01/83/73/852018373.db2.gz NXGRPGMUDXLIBR-UHFFFAOYSA-N 0 0 417.830 4.411 20 5 HIBDRN O=C(NCc1ccc(Br)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064907791 852018963 /nfs/dbraw/zinc/01/89/63/852018963.db2.gz LHNCCVXKSWUJLE-UHFFFAOYSA-N 0 0 424.301 4.472 20 5 HIBDRN CCc1cc(NC[C@@H](CO)Cc2ccc(F)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064914109 852019588 /nfs/dbraw/zinc/01/95/88/852019588.db2.gz YARFLYMBKUBUQE-INIZCTEOSA-N 0 0 410.449 4.016 20 5 HIBDRN CCc1cc(NCc2ccccc2OCCOC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064915168 852019954 /nfs/dbraw/zinc/01/99/54/852019954.db2.gz PLXDOGAXXOCTNT-UHFFFAOYSA-N 0 0 408.458 4.252 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(N3CCSCC3)cc2C)cc1[N+](=O)[O-] ZINC000065035115 852044669 /nfs/dbraw/zinc/04/46/69/852044669.db2.gz MMDUXTFQVSFJMJ-UHFFFAOYSA-N 0 0 400.504 4.141 20 5 HIBDRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000065124166 852073150 /nfs/dbraw/zinc/07/31/50/852073150.db2.gz VHFWVSNUSLNHDP-UHFFFAOYSA-N 0 0 416.437 4.321 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)cc1OC ZINC000065163164 852082260 /nfs/dbraw/zinc/08/22/60/852082260.db2.gz NXXUCZHPUUOQDS-GOSISDBHSA-N 0 0 412.486 4.405 20 5 HIBDRN O=C(NCCc1c[nH]c2cc(F)ccc12)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000065368955 852115740 /nfs/dbraw/zinc/11/57/40/852115740.db2.gz BVGPIBZFUUQIMK-UHFFFAOYSA-N 0 0 408.336 4.181 20 5 HIBDRN O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000065438672 852132337 /nfs/dbraw/zinc/13/23/37/852132337.db2.gz BHYONNFDXMXYHV-UHFFFAOYSA-N 0 0 412.343 4.107 20 5 HIBDRN Cc1ccc(NC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] ZINC000065448890 852137601 /nfs/dbraw/zinc/13/76/01/852137601.db2.gz LZICIRUDRXDEQR-UHFFFAOYSA-N 0 0 419.363 4.429 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000437137506 862327935 /nfs/dbraw/zinc/32/79/35/862327935.db2.gz SJPPXAYWIXXCEC-KBPBESRZSA-N 0 0 415.494 4.003 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000437137507 862328598 /nfs/dbraw/zinc/32/85/98/862328598.db2.gz SJPPXAYWIXXCEC-KGLIPLIRSA-N 0 0 415.494 4.003 20 5 HIBDRN COc1ccc(C)cc1-n1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000065558509 852179298 /nfs/dbraw/zinc/17/92/98/852179298.db2.gz IZNJNYXKFDUNAS-UHFFFAOYSA-N 0 0 408.458 4.148 20 5 HIBDRN CN(C)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1Cl ZINC000437138496 862329890 /nfs/dbraw/zinc/32/98/90/862329890.db2.gz RKBGAWQRJFSQTG-UHFFFAOYSA-N 0 0 415.755 4.221 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000065685321 852218428 /nfs/dbraw/zinc/21/84/28/852218428.db2.gz YWZBKOVTAWEGHG-UHFFFAOYSA-N 0 0 411.483 4.117 20 5 HIBDRN CN(Cc1ccc(Br)s1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065719111 852233179 /nfs/dbraw/zinc/23/31/79/852233179.db2.gz FRUAXYLCBYBEDB-UHFFFAOYSA-N 0 0 408.277 4.032 20 5 HIBDRN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000065783287 852255568 /nfs/dbraw/zinc/25/55/68/852255568.db2.gz WTFWMWNROYJYRD-LSDHHAIUSA-N 0 0 415.515 4.087 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000065841851 852280472 /nfs/dbraw/zinc/28/04/72/852280472.db2.gz HDQFIPRDQHZVPP-UHFFFAOYSA-N 0 0 400.438 4.347 20 5 HIBDRN O=C(NC1(c2ccc(Br)cc2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000065851979 852283319 /nfs/dbraw/zinc/28/33/19/852283319.db2.gz UMWYDPIRFAPXQV-UHFFFAOYSA-N 0 0 416.275 4.351 20 5 HIBDRN Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnn1-c1cccc(Cl)c1 ZINC000065865106 852290285 /nfs/dbraw/zinc/29/02/85/852290285.db2.gz XKJASTUAYGPMIW-UHFFFAOYSA-N 0 0 413.865 4.188 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065868208 852292608 /nfs/dbraw/zinc/29/26/08/852292608.db2.gz KISLMKZAZWFZKC-UHFFFAOYSA-N 0 0 404.426 4.206 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1(c2ccc(Br)cc2)CC1 ZINC000065873698 852296456 /nfs/dbraw/zinc/29/64/56/852296456.db2.gz LXLCNSAQYSMGHL-UHFFFAOYSA-N 0 0 418.291 4.355 20 5 HIBDRN COc1cc(OCC(=O)Nc2c(C)cc(Br)cc2C)ccc1[N+](=O)[O-] ZINC000066023601 852356542 /nfs/dbraw/zinc/35/65/42/852356542.db2.gz UUPADHNNWZITCC-UHFFFAOYSA-N 0 0 409.236 4.000 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000066035656 852360710 /nfs/dbraw/zinc/36/07/10/852360710.db2.gz OXNKGYUHBRVWHN-MRXNPFEDSA-N 0 0 424.501 4.216 20 5 HIBDRN COC(=O)c1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000069121366 852384765 /nfs/dbraw/zinc/38/47/65/852384765.db2.gz ABFGBNXUWUPCNK-UHFFFAOYSA-N 0 0 414.361 4.131 20 5 HIBDRN Cc1c(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)cccc1[N+](=O)[O-] ZINC000071852160 852419031 /nfs/dbraw/zinc/41/90/31/852419031.db2.gz RHTMFLCEEIQAJC-UHFFFAOYSA-N 0 0 405.389 4.271 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 ZINC000071872616 852423152 /nfs/dbraw/zinc/42/31/52/852423152.db2.gz 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Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000110369507 853092329 /nfs/dbraw/zinc/09/23/29/853092329.db2.gz OFDUPYXWZAPEAC-IRLDBZIGSA-N 0 0 423.513 4.064 20 5 HIBDRN CCn1c(Sc2ccc(Br)cc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC000110453258 853101356 /nfs/dbraw/zinc/10/13/56/853101356.db2.gz AXJDQDFKQPPVDK-UHFFFAOYSA-N 0 0 406.265 4.182 20 5 HIBDRN CC(C)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(C(F)(F)F)c1 ZINC000110506848 853109025 /nfs/dbraw/zinc/10/90/25/853109025.db2.gz LJPHKNPQGDNDRY-UHFFFAOYSA-N 0 0 424.375 4.092 20 5 HIBDRN Cn1c2ccccc2nc1-c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000110581673 853120715 /nfs/dbraw/zinc/12/07/15/853120715.db2.gz QKHOOQLLPOPVOL-UHFFFAOYSA-N 0 0 402.410 4.166 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000110853312 853157297 /nfs/dbraw/zinc/15/72/97/853157297.db2.gz FYOMXDOIAJNPPS-MRXNPFEDSA-N 0 0 414.405 4.448 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 ZINC000111032748 853190071 /nfs/dbraw/zinc/19/00/71/853190071.db2.gz AIKWJLQBVBMPDP-UHFFFAOYSA-N 0 0 418.409 4.082 20 5 HIBDRN O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000111076238 853197871 /nfs/dbraw/zinc/19/78/71/853197871.db2.gz YKIGMIBMHVLZTR-UHFFFAOYSA-N 0 0 412.405 4.406 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1SC ZINC000112531780 853230967 /nfs/dbraw/zinc/23/09/67/853230967.db2.gz UNIYYZPUMXFMLR-UHFFFAOYSA-N 0 0 418.862 4.417 20 5 HIBDRN O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000115380456 853250809 /nfs/dbraw/zinc/25/08/09/853250809.db2.gz DUVHGJLXJCLLGB-UHFFFAOYSA-N 0 0 414.425 4.096 20 5 HIBDRN CCNc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1[N+](=O)[O-] ZINC000115801080 853266406 /nfs/dbraw/zinc/26/64/06/853266406.db2.gz SEZPYORXQVOLRL-UHFFFAOYSA-N 0 0 403.851 4.451 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000116002716 853278095 /nfs/dbraw/zinc/27/80/95/853278095.db2.gz IBOKYXBVIUOGHU-CYBMUJFWSA-N 0 0 405.907 4.226 20 5 HIBDRN O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000116098011 853283376 /nfs/dbraw/zinc/28/33/76/853283376.db2.gz MQSMQVBMBDDRID-UHFFFAOYSA-N 0 0 413.384 4.110 20 5 HIBDRN COc1ccc2c(c1)CCN2C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000116149427 853286610 /nfs/dbraw/zinc/28/66/10/853286610.db2.gz UDUAWALXKOADPG-OAHLLOKOSA-N 0 0 418.453 4.374 20 5 HIBDRN O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000116555218 853315220 /nfs/dbraw/zinc/31/52/20/853315220.db2.gz ZPBHGPSNUJAZBR-WMZOPIPTSA-N 0 0 416.359 4.085 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)ncc1Br ZINC000125955640 853371098 /nfs/dbraw/zinc/37/10/98/853371098.db2.gz KMENOOUQEXZYMH-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000138410803 853385238 /nfs/dbraw/zinc/38/52/38/853385238.db2.gz JIAVMYJLCFSMTI-GFCCVEGCSA-N 0 0 419.865 4.183 20 5 HIBDRN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])CC3 ZINC000138426056 853385598 /nfs/dbraw/zinc/38/55/98/853385598.db2.gz GRQLRPBKGIDJKI-ZDUSSCGKSA-N 0 0 413.861 4.390 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000138429845 853386534 /nfs/dbraw/zinc/38/65/34/853386534.db2.gz VZIMGHUDYNAILK-ZDUSSCGKSA-N 0 0 417.849 4.171 20 5 HIBDRN CN(C)C(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000139715254 853418977 /nfs/dbraw/zinc/41/89/77/853418977.db2.gz GUOXKHLOIMWNNF-UHFFFAOYSA-N 0 0 404.426 4.293 20 5 HIBDRN CCCS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000139689296 853419278 /nfs/dbraw/zinc/41/92/78/853419278.db2.gz LRPZILGUWHHLEB-UHFFFAOYSA-N 0 0 412.855 4.044 20 5 HIBDRN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000141378295 853470118 /nfs/dbraw/zinc/47/01/18/853470118.db2.gz HGVUELUCEGGLGU-UHFFFAOYSA-N 0 0 401.728 4.478 20 5 HIBDRN Cc1ccc(-c2nnco2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000141894603 853481974 /nfs/dbraw/zinc/48/19/74/853481974.db2.gz PXEVWULEXOQGFY-LLVKDONJSA-N 0 0 402.794 4.013 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)c1 ZINC000147054033 853580719 /nfs/dbraw/zinc/58/07/19/853580719.db2.gz OIBUAGAHDXFJKS-UHFFFAOYSA-N 0 0 407.426 4.338 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000148039601 853599435 /nfs/dbraw/zinc/59/94/35/853599435.db2.gz RXWGVSGOVGATLN-UHFFFAOYSA-N 0 0 409.364 4.011 20 5 HIBDRN O=C(NCc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1Br ZINC000159077292 853644902 /nfs/dbraw/zinc/64/49/02/853644902.db2.gz XGDYLIIQGZWKOQ-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN O=C(c1ccc(OC(F)F)cc1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000195557832 853682525 /nfs/dbraw/zinc/68/25/25/853682525.db2.gz RJYCXIUGNBAEMB-UHFFFAOYSA-N 0 0 404.291 4.401 20 5 HIBDRN CSc1ccc(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000195572899 853690597 /nfs/dbraw/zinc/69/05/97/853690597.db2.gz NEFRTNZCIHLTIA-UHFFFAOYSA-N 0 0 407.879 4.119 20 5 HIBDRN Cc1nn(C)c(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)c1[N+](=O)[O-] ZINC000195595686 853704524 /nfs/dbraw/zinc/70/45/24/853704524.db2.gz CJVVTUUHBRMKTI-UHFFFAOYSA-N 0 0 416.384 4.081 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000195624692 853722895 /nfs/dbraw/zinc/72/28/95/853722895.db2.gz GAKAEURORLKDBH-UHFFFAOYSA-N 0 0 421.478 4.499 20 5 HIBDRN CSc1ccc(C(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000195635981 853728998 /nfs/dbraw/zinc/72/89/98/853728998.db2.gz KKFPRYKSLAXBME-UHFFFAOYSA-N 0 0 400.378 4.188 20 5 HIBDRN O=C(NCCc1csc2ccccc12)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000195642451 853733862 /nfs/dbraw/zinc/73/38/62/853733862.db2.gz UDDUIJKZCXULAS-UHFFFAOYSA-N 0 0 409.511 4.385 20 5 HIBDRN Cc1nn(C)c(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000195642119 853734024 /nfs/dbraw/zinc/73/40/24/853734024.db2.gz ZUWMMROXVLELRG-INIZCTEOSA-N 0 0 419.268 4.463 20 5 HIBDRN Cc1nn(C)c(C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1[N+](=O)[O-] ZINC000195641907 853734165 /nfs/dbraw/zinc/73/41/65/853734165.db2.gz KKPSUUVVUFQJDA-UHFFFAOYSA-N 0 0 422.228 4.383 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000195644116 853734950 /nfs/dbraw/zinc/73/49/50/853734950.db2.gz JBDPOEXCOOCYQC-FQEVSTJZSA-N 0 0 414.412 4.250 20 5 HIBDRN Cc1ccc(Sc2ccc(C=Cc3nc4c(cnn4C)c(=O)[nH]3)cc2[N+](=O)[O-])cc1 ZINC000195689349 853759608 /nfs/dbraw/zinc/75/96/08/853759608.db2.gz ZZOAHQOXVCCLTB-UXBLZVDNSA-N 0 0 419.466 4.195 20 5 HIBDRN Cc1cc(C(=O)Nc2ccnn2Cc2ccccc2Br)cc([N+](=O)[O-])c1 ZINC000195691183 853760938 /nfs/dbraw/zinc/76/09/38/853760938.db2.gz GMGIXZZCBZLFJI-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)cn1 ZINC000195692408 853761887 /nfs/dbraw/zinc/76/18/87/853761887.db2.gz HLCPBFSPSMUUOD-UHFFFAOYSA-N 0 0 407.426 4.419 20 5 HIBDRN C[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000195697093 853764768 /nfs/dbraw/zinc/76/47/68/853764768.db2.gz NMUSTBNZFVDKPF-LLVKDONJSA-N 0 0 422.338 4.429 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)Nc2cccc(Oc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000215950078 853840619 /nfs/dbraw/zinc/84/06/19/853840619.db2.gz QPIPIOXCOOTNSK-UHFFFAOYSA-N 0 0 405.410 4.064 20 5 HIBDRN CCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccc(C)cc1 ZINC000216419894 853852616 /nfs/dbraw/zinc/85/26/16/853852616.db2.gz JXQAAUMHMRKQMZ-UHFFFAOYSA-N 0 0 412.471 4.340 20 5 HIBDRN CN(Cc1cccnc1)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000216499470 853854166 /nfs/dbraw/zinc/85/41/66/853854166.db2.gz KUMAYTHTLVNTHC-FQEVSTJZSA-N 0 0 410.861 4.455 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000216850046 853858779 /nfs/dbraw/zinc/85/87/79/853858779.db2.gz WXKWKOYUTKXNFO-UHFFFAOYSA-N 0 0 407.470 4.220 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n(-c2ccc(F)cc2)n1 ZINC000217359813 853861203 /nfs/dbraw/zinc/86/12/03/853861203.db2.gz MWUOLPDKUYTFKU-CYBMUJFWSA-N 0 0 400.435 4.347 20 5 HIBDRN Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000217214763 853861501 /nfs/dbraw/zinc/86/15/01/853861501.db2.gz KRIACKGHMLLSJQ-UHFFFAOYSA-N 0 0 406.485 4.257 20 5 HIBDRN CN(C(=O)c1cc(Br)sc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000227266842 853883449 /nfs/dbraw/zinc/88/34/49/853883449.db2.gz GRWKDIQBPAJNIU-UHFFFAOYSA-N 0 0 420.082 4.458 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1I ZINC000230204181 853895082 /nfs/dbraw/zinc/89/50/82/853895082.db2.gz ILXKNTMBBSVKBC-UHFFFAOYSA-N 0 0 416.602 4.034 20 5 HIBDRN CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000437272880 862517404 /nfs/dbraw/zinc/51/74/04/862517404.db2.gz CEWWHLPQCZFPEY-UHFFFAOYSA-N 0 0 415.755 4.221 20 5 HIBDRN CN(C)C(=O)COc1cccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000236966656 853944243 /nfs/dbraw/zinc/94/42/43/853944243.db2.gz QQMHUFAHGOKPRO-UHFFFAOYSA-N 0 0 411.483 4.402 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000237203629 853980735 /nfs/dbraw/zinc/98/07/35/853980735.db2.gz SLKQHXRBVRUCSI-UHFFFAOYSA-N 0 0 417.263 4.046 20 5 HIBDRN COc1cc(CNCc2cn3ccccc3n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237294080 854000669 /nfs/dbraw/zinc/00/06/69/854000669.db2.gz ZIBRDKRWRGKFEW-UHFFFAOYSA-N 0 0 418.453 4.120 20 5 HIBDRN CO[C@@H](C)C(=O)Nc1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000237306131 854002859 /nfs/dbraw/zinc/00/28/59/854002859.db2.gz YVIWBGQTMMLQKL-ZDUSSCGKSA-N 0 0 412.471 4.304 20 5 HIBDRN COc1ccc(C(NCc2ccc(OC)c([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 ZINC000237485019 854043315 /nfs/dbraw/zinc/04/33/15/854043315.db2.gz JICXPSWOLMTXFQ-UHFFFAOYSA-N 0 0 408.454 4.500 20 5 HIBDRN C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1nnnn1-c1ccccc1 ZINC000237582202 854058796 /nfs/dbraw/zinc/05/87/96/854058796.db2.gz CDHMTVQIFQUEKK-AWEZNQCLSA-N 0 0 406.471 4.150 20 5 HIBDRN Cc1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000237644618 854066724 /nfs/dbraw/zinc/06/67/24/854066724.db2.gz QGAGLAAOCWOOLT-HSZRJFAPSA-N 0 0 424.522 4.494 20 5 HIBDRN Cc1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237644665 854066748 /nfs/dbraw/zinc/06/67/48/854066748.db2.gz OHBQEHNRNRLPRL-QFIPXVFZSA-N 0 0 410.495 4.186 20 5 HIBDRN O=C(CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)NC1CCCCC1 ZINC000237879692 854113934 /nfs/dbraw/zinc/11/39/34/854113934.db2.gz IKWGKDDBOGZGPL-UHFFFAOYSA-N 0 0 401.438 4.065 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2ccc(N3CCOCC3)cn2)ccc1Oc1ccc(F)cc1 ZINC000237885017 854114839 /nfs/dbraw/zinc/11/48/39/854114839.db2.gz SEQCPNCSZGLECW-UHFFFAOYSA-N 0 0 424.432 4.370 20 5 HIBDRN Cc1ccc([C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237893664 854116000 /nfs/dbraw/zinc/11/60/00/854116000.db2.gz FWRKQBHHPWCZCY-HSZRJFAPSA-N 0 0 424.522 4.494 20 5 HIBDRN O=[N+]([O-])c1ccc(CNc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)cc1 ZINC000237998510 854131011 /nfs/dbraw/zinc/13/10/11/854131011.db2.gz KBUNIAZGBRPFLP-UHFFFAOYSA-N 0 0 400.442 4.103 20 5 HIBDRN O=C(Nc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1)[C@@H]1CCCO1 ZINC000238119672 854144720 /nfs/dbraw/zinc/14/47/20/854144720.db2.gz ACMRULMYWCPGGI-IBGZPJMESA-N 0 0 424.482 4.448 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000248010635 854172729 /nfs/dbraw/zinc/17/27/29/854172729.db2.gz IUENTZUFBPOUAO-UHFFFAOYSA-N 0 0 405.366 4.334 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000248022502 854173726 /nfs/dbraw/zinc/17/37/26/854173726.db2.gz FQZLRAHHIKGLOM-UHFFFAOYSA-N 0 0 416.840 4.462 20 5 HIBDRN C[C@H](Sc1nc(C(F)(F)F)cc(=O)[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000261404158 854250233 /nfs/dbraw/zinc/25/02/33/854250233.db2.gz NYQCHWLDIFDQIL-ZETCQYMHSA-N 0 0 413.337 4.013 20 5 HIBDRN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc21 ZINC000261456879 854269022 /nfs/dbraw/zinc/26/90/22/854269022.db2.gz OJJZAYDKLIBMRL-UHFFFAOYSA-N 0 0 417.849 4.272 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(NC[C@H]3CCCO3)s2)cc1C(F)(F)F ZINC000301071234 854287347 /nfs/dbraw/zinc/28/73/47/854287347.db2.gz MJCVJFSGLQMNIK-MRVPVSSYSA-N 0 0 406.411 4.207 20 5 HIBDRN Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n1 ZINC000301083255 854291408 /nfs/dbraw/zinc/29/14/08/854291408.db2.gz JKIYRZYAPSHOGH-ZDUSSCGKSA-N 0 0 408.380 4.172 20 5 HIBDRN Cc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nnc2-c2ccncc2)cc1C ZINC000301089133 854292993 /nfs/dbraw/zinc/29/29/93/854292993.db2.gz MFTCQZKSPBLRGR-UHFFFAOYSA-N 0 0 404.455 4.401 20 5 HIBDRN CCc1cc(Sc2ccc(S(C)(=O)=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301091215 854293407 /nfs/dbraw/zinc/29/34/07/854293407.db2.gz FUQFRYIEPVFHAA-UHFFFAOYSA-N 0 0 415.496 4.169 20 5 HIBDRN COc1cccc(C2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC2)c1 ZINC000301123731 854304090 /nfs/dbraw/zinc/30/40/90/854304090.db2.gz SAJCCUQHNVZJRR-UHFFFAOYSA-N 0 0 409.486 4.223 20 5 HIBDRN CCn1c(Sc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1ccco1 ZINC000301130636 854306319 /nfs/dbraw/zinc/30/63/19/854306319.db2.gz XYJUJMVOKFQEEQ-UHFFFAOYSA-N 0 0 408.443 4.383 20 5 HIBDRN CC(=O)c1ccc(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c([N+](=O)[O-])c1 ZINC000301135007 854307546 /nfs/dbraw/zinc/30/75/46/854307546.db2.gz YNVODQSSUUCIHF-MRXNPFEDSA-N 0 0 410.405 4.371 20 5 HIBDRN CCc1cc(N2CCO[C@H](c3cccc(F)c3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301145510 854310909 /nfs/dbraw/zinc/31/09/09/854310909.db2.gz JDQWEKJYPRULDM-FQEVSTJZSA-N 0 0 408.433 4.331 20 5 HIBDRN CC(C)Oc1ccc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 ZINC000301163546 854316367 /nfs/dbraw/zinc/31/63/67/854316367.db2.gz HYSVYFTVBNGMGH-UHFFFAOYSA-N 0 0 414.849 4.193 20 5 HIBDRN CNC(=O)c1ccc(Nc2cccc(C[S@](=O)c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000301258516 854341141 /nfs/dbraw/zinc/34/11/41/854341141.db2.gz DZXJQCXARWRNQK-LJAQVGFWSA-N 0 0 409.467 4.006 20 5 HIBDRN COc1cc(Br)c(CNc2ncc([N+](=O)[O-])cc2Cl)cc1OC ZINC000301274943 854345934 /nfs/dbraw/zinc/34/59/34/854345934.db2.gz LOBYQWZCBLYQOF-UHFFFAOYSA-N 0 0 402.632 4.035 20 5 HIBDRN O=C(c1cc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301294859 854350608 /nfs/dbraw/zinc/35/06/08/854350608.db2.gz RFFLUOGSVWKPDW-SFHVURJKSA-N 0 0 424.284 4.283 20 5 HIBDRN CC[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000301324735 854360267 /nfs/dbraw/zinc/36/02/67/854360267.db2.gz AAYMTBDDUPMEGC-CYBMUJFWSA-N 0 0 406.357 4.433 20 5 HIBDRN O=C(c1cc(NC[C@@H](O)c2c(Cl)cccc2Cl)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301331727 854361690 /nfs/dbraw/zinc/36/16/90/854361690.db2.gz DWMVRYXNMGEUHV-QGZVFWFLSA-N 0 0 424.284 4.283 20 5 HIBDRN O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c1)c1ccncc1 ZINC000301338155 854363863 /nfs/dbraw/zinc/36/38/63/854363863.db2.gz DXJASGULBXLDEP-UHFFFAOYSA-N 0 0 414.368 4.456 20 5 HIBDRN CCO[C@H]1C[C@@H](O)C12CCN(c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000301340047 854364359 /nfs/dbraw/zinc/36/43/59/854364359.db2.gz HUWOFECDRHAURS-CABCVRRESA-N 0 0 408.804 4.023 20 5 HIBDRN CC(=O)c1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000301358186 854370175 /nfs/dbraw/zinc/37/01/75/854370175.db2.gz MUSOLRGRPTUMDY-QGZVFWFLSA-N 0 0 419.384 4.006 20 5 HIBDRN COc1cc(N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000301394832 854381334 /nfs/dbraw/zinc/38/13/34/854381334.db2.gz KVZMMUFNOGVACV-UHFFFAOYSA-N 0 0 407.829 4.251 20 5 HIBDRN CN(Cc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000301412183 854386484 /nfs/dbraw/zinc/38/64/84/854386484.db2.gz PRCCLYKUJKKONJ-UHFFFAOYSA-N 0 0 424.226 4.089 20 5 HIBDRN CS(=O)(=O)c1cccc([C@@H](Nc2ncccc2[N+](=O)[O-])c2ccc(Cl)cc2)c1 ZINC000301417003 854388395 /nfs/dbraw/zinc/38/83/95/854388395.db2.gz BEOHBHURLJQIBW-SFHVURJKSA-N 0 0 417.874 4.248 20 5 HIBDRN C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301427296 854391105 /nfs/dbraw/zinc/39/11/05/854391105.db2.gz FAAGPHYDFGXNRQ-MEDUHNTESA-N 0 0 414.405 4.318 20 5 HIBDRN Cc1ccc(C(=O)NC2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)s1 ZINC000301427014 854391443 /nfs/dbraw/zinc/39/14/43/854391443.db2.gz UKVBMUPUILQMJI-UHFFFAOYSA-N 0 0 424.320 4.126 20 5 HIBDRN Cc1cc(C(=O)NC2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)c(C)o1 ZINC000301437622 854394456 /nfs/dbraw/zinc/39/44/56/854394456.db2.gz KTPVYDIVGZKLHA-UHFFFAOYSA-N 0 0 411.380 4.222 20 5 HIBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)c1 ZINC000301452456 854398114 /nfs/dbraw/zinc/39/81/14/854398114.db2.gz UOTSJSSQLNCWBG-HNNXBMFYSA-N 0 0 416.453 4.089 20 5 HIBDRN Cc1cc(Sc2nnc(-c3ccncc3)n2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000301462553 854400532 /nfs/dbraw/zinc/40/05/32/854400532.db2.gz ZPYLXQLSRAXQPD-UHFFFAOYSA-N 0 0 404.455 4.151 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])cc1 ZINC000301462213 854400696 /nfs/dbraw/zinc/40/06/96/854400696.db2.gz VCGKTBZUJZMFGP-IIBYNOLFSA-N 0 0 415.446 4.192 20 5 HIBDRN CS(=O)(=O)Cc1ccccc1CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301500550 854408858 /nfs/dbraw/zinc/40/88/58/854408858.db2.gz AODVTRRLVKHPRQ-UHFFFAOYSA-N 0 0 422.812 4.424 20 5 HIBDRN O=C(NC1CC1)c1ccc(N2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000301515817 854411189 /nfs/dbraw/zinc/41/11/89/854411189.db2.gz JUELKPXJRCWZAK-HNNXBMFYSA-N 0 0 406.442 4.012 20 5 HIBDRN O=[N+]([O-])c1cnc(Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c(Br)c1 ZINC000301520993 854412164 /nfs/dbraw/zinc/41/21/64/854412164.db2.gz GUTMGRZUGNBYMV-GFCCVEGCSA-N 0 0 411.231 4.226 20 5 HIBDRN C[C@H](c1cc(F)ccc1F)N(C)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301540870 854415884 /nfs/dbraw/zinc/41/58/84/854415884.db2.gz SDRJXYGYBMWGRT-LLVKDONJSA-N 0 0 420.803 4.270 20 5 HIBDRN CC(C)CC(=O)Nc1cccc(CNc2ncc([N+](=O)[O-])cc2Br)c1 ZINC000301538264 854416323 /nfs/dbraw/zinc/41/63/23/854416323.db2.gz NIBVAVURMUNZDK-UHFFFAOYSA-N 0 0 407.268 4.349 20 5 HIBDRN CCS[C@@H]1CCC[C@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 ZINC000301550060 854419138 /nfs/dbraw/zinc/41/91/38/854419138.db2.gz QRHPMCTZLDVBQW-SWLSCSKDSA-N 0 0 408.911 4.270 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301552537 854419185 /nfs/dbraw/zinc/41/91/85/854419185.db2.gz HMYIGOAHYPEUKC-UHFFFAOYSA-N 0 0 413.217 4.275 20 5 HIBDRN COc1cc(NC2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)cc(OC)c1 ZINC000301567153 854421952 /nfs/dbraw/zinc/42/19/52/854421952.db2.gz QEZGCWAOUIIUTO-UHFFFAOYSA-N 0 0 408.458 4.241 20 5 HIBDRN CCOC(=O)c1sc([C@@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])nc1C ZINC000301602432 854427753 /nfs/dbraw/zinc/42/77/53/854427753.db2.gz KCCAAAJHHUAENC-SECBINFHSA-N 0 0 414.281 4.472 20 5 HIBDRN COc1cc(OC)cc(N2CC[C@H](CNc3ccc([N+](=O)[O-])c4cccnc34)C2)c1 ZINC000301611516 854429971 /nfs/dbraw/zinc/42/99/71/854429971.db2.gz RMUMGBQYAPNRGY-OAHLLOKOSA-N 0 0 408.458 4.099 20 5 HIBDRN CNC(=O)c1ccc(N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)c([N+](=O)[O-])c1 ZINC000301621192 854431956 /nfs/dbraw/zinc/43/19/56/854431956.db2.gz FFAKBJZAGPLLRN-INIZCTEOSA-N 0 0 419.913 4.110 20 5 HIBDRN COc1cc(N[C@H]2CCCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)cc(OC)c1 ZINC000301629942 854432813 /nfs/dbraw/zinc/43/28/13/854432813.db2.gz INYJYIQNENTBGW-INIZCTEOSA-N 0 0 408.458 4.241 20 5 HIBDRN Cc1nc(N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000301629974 854433055 /nfs/dbraw/zinc/43/30/55/854433055.db2.gz IPYCUJRTECESFC-UHFFFAOYSA-N 0 0 402.760 4.045 20 5 HIBDRN Cc1cc(Sc2nnc(-c3ccccc3F)n2Cc2ccco2)ncc1[N+](=O)[O-] ZINC000301655667 854438103 /nfs/dbraw/zinc/43/81/03/854438103.db2.gz ASUDDODNZJZIML-UHFFFAOYSA-N 0 0 411.418 4.488 20 5 HIBDRN O=c1ccccn1Cc1ccc(CNc2cc(Br)ccc2[N+](=O)[O-])cc1 ZINC000301666802 854441307 /nfs/dbraw/zinc/44/13/07/854441307.db2.gz MAPDAEPPXFFTCT-UHFFFAOYSA-N 0 0 414.259 4.179 20 5 HIBDRN Cc1nc(CN2CCC(CNc3cc(Br)ccc3[N+](=O)[O-])CC2)oc1C ZINC000301679020 854442982 /nfs/dbraw/zinc/44/29/82/854442982.db2.gz RFLDQZAIFUWFIX-UHFFFAOYSA-N 0 0 423.311 4.286 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000301715792 854450552 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404.455 4.151 20 5 HIBDRN Cc1cc(NCCc2nc3ccc(F)cc3n2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301832251 854472782 /nfs/dbraw/zinc/47/27/82/854472782.db2.gz RCEVRLDDVMDQMX-UHFFFAOYSA-N 0 0 406.421 4.041 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c2ncccc12 ZINC000301832094 854472854 /nfs/dbraw/zinc/47/28/54/854472854.db2.gz IYKHJMRKNLVZCQ-GOSISDBHSA-N 0 0 401.369 4.322 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCOC[C@@H]2C[C@@H](O)c2cccs2)nc1-c1ccccc1 ZINC000301856471 854477411 /nfs/dbraw/zinc/47/74/11/854477411.db2.gz IORQGJANZXTJOX-FUHWJXTLSA-N 0 0 411.483 4.047 20 5 HIBDRN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C2)n1 ZINC000301859513 854477430 /nfs/dbraw/zinc/47/74/30/854477430.db2.gz FEEMBMWIYLDJSK-MRXNPFEDSA-N 0 0 412.490 4.331 20 5 HIBDRN O=C(NC1CC1)c1ccc(N[C@@H](c2cccc(F)c2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000301858185 854477455 /nfs/dbraw/zinc/47/74/55/854477455.db2.gz CTFLXVRJEKXNPV-NRFANRHFSA-N 0 0 406.417 4.223 20 5 HIBDRN 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PSLZHWGNAWTVGN-GFCCVEGCSA-N 0 0 404.444 4.235 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCc1cccnc1 ZINC000302682415 854602856 /nfs/dbraw/zinc/60/28/56/854602856.db2.gz AEQPWNLEBOGXLT-UHFFFAOYSA-N 0 0 414.421 4.128 20 5 HIBDRN Cc1cc(N2CCC(NC(=O)C3CCCCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302677887 854602898 /nfs/dbraw/zinc/60/28/98/854602898.db2.gz NOWKQJDTXORKGU-UHFFFAOYSA-N 0 0 424.339 4.331 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(OC2CCCCC2)cc1 ZINC000302680455 854603084 /nfs/dbraw/zinc/60/30/84/854603084.db2.gz WMOSYHAWDBDQNF-UHFFFAOYSA-N 0 0 404.488 4.322 20 5 HIBDRN Cc1cc(N2CCCN(C(=O)c3ccsc3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302684331 854603896 /nfs/dbraw/zinc/60/38/96/854603896.db2.gz QCJAVXKMHBSBJJ-UHFFFAOYSA-N 0 0 424.320 4.080 20 5 HIBDRN Cc1cc(NCc2ccccc2N2CCOCC2)c(Br)cc1[N+](=O)[O-] ZINC000302717156 854611415 /nfs/dbraw/zinc/61/14/15/854611415.db2.gz YPMSDRPZNTVUBJ-UHFFFAOYSA-N 0 0 406.280 4.114 20 5 HIBDRN Cc1cc(N2CCC(C(=O)N3CCC(C)CC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302719824 854612618 /nfs/dbraw/zinc/61/26/18/854612618.db2.gz ZMVDXECQFIMATH-UHFFFAOYSA-N 0 0 424.339 4.141 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000302726084 854614438 /nfs/dbraw/zinc/61/44/38/854614438.db2.gz SARMOAXXVSEEEU-UHFFFAOYSA-N 0 0 412.798 4.217 20 5 HIBDRN COCCOc1ccc(C(F)(F)F)cc1NCc1cc([N+](=O)[O-])ccc1OC ZINC000302836107 854649706 /nfs/dbraw/zinc/64/97/06/854649706.db2.gz DOUJPVATRGTKFU-UHFFFAOYSA-N 0 0 400.353 4.260 20 5 HIBDRN COc1cc(N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c([N+](=O)[O-])cc1F ZINC000302838412 854650352 /nfs/dbraw/zinc/65/03/52/854650352.db2.gz YLMMRYOOTAJQMM-CQSZACIVSA-N 0 0 416.453 4.172 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000302840372 854651710 /nfs/dbraw/zinc/65/17/10/854651710.db2.gz AKBBVVVYOVVGRS-GOSISDBHSA-N 0 0 418.877 4.380 20 5 HIBDRN Cc1sc(C(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000437323503 862590432 /nfs/dbraw/zinc/59/04/32/862590432.db2.gz BVYBWJFYGUUEDG-DJJJIMSYSA-N 0 0 404.488 4.020 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1N1CCO[C@H](c3ccc(F)c(Br)c3)C1)CCN2 ZINC000302882982 854665962 /nfs/dbraw/zinc/66/59/62/854665962.db2.gz KLUCSOBECMKHGA-KRWDZBQOSA-N 0 0 422.254 4.042 20 5 HIBDRN COc1ccccc1C1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCC1 ZINC000302943727 854690870 /nfs/dbraw/zinc/69/08/70/854690870.db2.gz CDCGKWDENZURFJ-UHFFFAOYSA-N 0 0 420.469 4.031 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(Br)c(F)c1 ZINC000303033617 854731885 /nfs/dbraw/zinc/73/18/85/854731885.db2.gz XXRRDUNOBZKOBS-SNVBAGLBSA-N 0 0 413.268 4.293 20 5 HIBDRN COc1cc(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1OCC(F)(F)F ZINC000303074435 854748666 /nfs/dbraw/zinc/74/86/66/854748666.db2.gz ABLWHJHUGUFESH-UHFFFAOYSA-N 0 0 424.375 4.066 20 5 HIBDRN CCC[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000303084273 854753133 /nfs/dbraw/zinc/75/31/33/854753133.db2.gz AOMJSUUYBGKBIS-HXUWFJFHSA-N 0 0 424.501 4.041 20 5 HIBDRN COc1cc(C(=O)NCC(C)(C)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000303115003 854767132 /nfs/dbraw/zinc/76/71/32/854767132.db2.gz LREKTDLZLKBAIK-UHFFFAOYSA-N 0 0 407.264 4.074 20 5 HIBDRN CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000303128473 854774784 /nfs/dbraw/zinc/77/47/84/854774784.db2.gz BIUAPHZQIIJZRJ-UHFFFAOYSA-N 0 0 409.225 4.072 20 5 HIBDRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000303175875 854800940 /nfs/dbraw/zinc/80/09/40/854800940.db2.gz CCIJPBPAKNAYJB-NSHDSACASA-N 0 0 400.435 4.360 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000303285211 854851796 /nfs/dbraw/zinc/85/17/96/854851796.db2.gz JQXPHMPWYPNNFD-ZDUSSCGKSA-N 0 0 403.485 4.066 20 5 HIBDRN O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000303292847 854856665 /nfs/dbraw/zinc/85/66/65/854856665.db2.gz BKOOCHFXABNDEW-UHFFFAOYSA-N 0 0 408.285 4.296 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2ccc(Oc3ccccc3OC)c(F)c2)c1[N+](=O)[O-] ZINC000303341670 854882275 /nfs/dbraw/zinc/88/22/75/854882275.db2.gz FNFIHJMUIQVLFF-UHFFFAOYSA-N 0 0 414.393 4.463 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)ccc1[N+](=O)[O-] ZINC000303353574 854888561 /nfs/dbraw/zinc/88/85/61/854888561.db2.gz GEMPPZKSADYQGS-UHFFFAOYSA-N 0 0 418.409 4.082 20 5 HIBDRN CCn1c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nnc1-c1cccc(C)c1 ZINC000303410685 854914515 /nfs/dbraw/zinc/91/45/15/854914515.db2.gz RCMTVLSKTWXLLI-SFHVURJKSA-N 0 0 423.498 4.079 20 5 HIBDRN Cc1sc2nc(C)nc(S[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2c1C ZINC000303426199 854928306 /nfs/dbraw/zinc/92/83/06/854928306.db2.gz VUYPEOJKETYEEY-HNNXBMFYSA-N 0 0 414.512 4.422 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000303428029 854928905 /nfs/dbraw/zinc/92/89/05/854928905.db2.gz BFJRPNNKPBAIDG-MRXNPFEDSA-N 0 0 420.872 4.482 20 5 HIBDRN Cc1sc(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)cc1[N+](=O)[O-] ZINC000303435196 854935671 /nfs/dbraw/zinc/93/56/71/854935671.db2.gz AUAZXGNLHBNPHO-UHFFFAOYSA-N 0 0 402.501 4.306 20 5 HIBDRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000303444427 854943327 /nfs/dbraw/zinc/94/33/27/854943327.db2.gz ZGIRWPPNSBTCMW-IBGZPJMESA-N 0 0 423.856 4.228 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000303480491 854974822 /nfs/dbraw/zinc/97/48/22/854974822.db2.gz KEFXYTJWJVBRQR-UHFFFAOYSA-N 0 0 407.405 4.111 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000303567242 855044145 /nfs/dbraw/zinc/04/41/45/855044145.db2.gz OFUNNWZHDNYRGT-GOSISDBHSA-N 0 0 406.486 4.474 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(Br)s3)no2)c(F)c1 ZINC000303573708 855049754 /nfs/dbraw/zinc/04/97/54/855049754.db2.gz PICKTAQQGMXJFN-UHFFFAOYSA-N 0 0 400.185 4.187 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000303582266 855056916 /nfs/dbraw/zinc/05/69/16/855056916.db2.gz MWTYWNWXGKSBBR-QFIPXVFZSA-N 0 0 414.527 4.417 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1OCC(F)(F)F ZINC000303629928 855088054 /nfs/dbraw/zinc/08/80/54/855088054.db2.gz QMAWUPGVXDKYSX-UHFFFAOYSA-N 0 0 401.316 4.116 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCS[C@@H](C)[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000303727833 855155008 /nfs/dbraw/zinc/15/50/08/855155008.db2.gz UGRJJKMHXCFFCU-RYUDHWBXSA-N 0 0 409.558 4.477 20 5 HIBDRN CN(CCN1CCN(c2ccccc2)CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000303758447 855178800 /nfs/dbraw/zinc/17/88/00/855178800.db2.gz NSKRECAOJBEDFZ-UHFFFAOYSA-N 0 0 424.548 4.282 20 5 HIBDRN Cc1cc(C)n(Cc2cccc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000303775463 855191602 /nfs/dbraw/zinc/19/16/02/855191602.db2.gz HRMYEDOIXDUYQS-UHFFFAOYSA-N 0 0 406.486 4.209 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000437364017 862651374 /nfs/dbraw/zinc/65/13/74/862651374.db2.gz IFVGTPZNISOTNO-GXFFZTMASA-N 0 0 416.808 4.430 20 5 HIBDRN COc1ccc(OCCn2cnc3cc(-c4ccccc4)sc3c2=O)c([N+](=O)[O-])c1 ZINC000303846009 855242795 /nfs/dbraw/zinc/24/27/95/855242795.db2.gz CPIAYLJEMVGKSB-UHFFFAOYSA-N 0 0 423.450 4.121 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000437366876 862657765 /nfs/dbraw/zinc/65/77/65/862657765.db2.gz XXUYNUINZSJQDT-SUMWQHHRSA-N 0 0 424.881 4.412 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000303914673 855287462 /nfs/dbraw/zinc/28/74/62/855287462.db2.gz NOPUBBFPTRLZFT-UHFFFAOYSA-N 0 0 415.627 4.037 20 5 HIBDRN CCOc1cc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c([N+](=O)[O-])cc1OCC ZINC000303938742 855305122 /nfs/dbraw/zinc/30/51/22/855305122.db2.gz WWMWTUITHBFLKB-STQMWFEESA-N 0 0 406.385 4.413 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c1 ZINC000303967070 855327776 /nfs/dbraw/zinc/32/77/76/855327776.db2.gz DEXCETBAJBEHOH-UHFFFAOYSA-N 0 0 401.466 4.396 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000303981431 855334549 /nfs/dbraw/zinc/33/45/49/855334549.db2.gz XTJIKZKXYBSGIB-UHFFFAOYSA-N 0 0 424.284 4.321 20 5 HIBDRN Cc1c(Br)c(N[C@@H]2CCCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000310590790 855366485 /nfs/dbraw/zinc/36/64/85/855366485.db2.gz BAPYGPRIBOFAQB-OAHLLOKOSA-N 0 0 405.296 4.137 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(I)ccc2Cl)cc([N+](=O)[O-])c1 ZINC000313870383 855374959 /nfs/dbraw/zinc/37/49/59/855374959.db2.gz NSRFEEUYLKMDHO-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 ZINC000314201729 855375086 /nfs/dbraw/zinc/37/50/86/855375086.db2.gz QEMNBDJHSZGDAG-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1cc(C)c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 ZINC000322338096 855392144 /nfs/dbraw/zinc/39/21/44/855392144.db2.gz AARLSWZHPCHTPC-UHFFFAOYSA-N 0 0 419.684 4.428 20 5 HIBDRN C[C@H](NS(=O)(=O)c1c(Cl)cccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000391972196 855462070 /nfs/dbraw/zinc/46/20/70/855462070.db2.gz ZKLDMYAESJWTLU-VIFPVBQESA-N 0 0 419.684 4.050 20 5 HIBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(I)cc1 ZINC000409417426 855483352 /nfs/dbraw/zinc/48/33/52/855483352.db2.gz GGQYGKSWMLWXBG-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN CC(C)[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000409558351 855540899 /nfs/dbraw/zinc/54/08/99/855540899.db2.gz XNXQGIZPAGRFCF-HXUWFJFHSA-N 0 0 401.438 4.016 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409563575 855542482 /nfs/dbraw/zinc/54/24/82/855542482.db2.gz RPUKLTQLUABFGZ-YLJYHZDGSA-N 0 0 415.287 4.220 20 5 HIBDRN Cc1c(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] ZINC000409607989 855563061 /nfs/dbraw/zinc/56/30/61/855563061.db2.gz LTSLWBUARYMLAG-QGZVFWFLSA-N 0 0 420.263 4.271 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCOc4c(Br)cccc43)cc2N1 ZINC000409648792 855582325 /nfs/dbraw/zinc/58/23/25/855582325.db2.gz MJUHGEJHBQNRCM-CYBMUJFWSA-N 0 0 418.247 4.178 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)s1 ZINC000409648890 855582368 /nfs/dbraw/zinc/58/23/68/855582368.db2.gz WDYYWXOVIUHIOS-NSHDSACASA-N 0 0 422.264 4.205 20 5 HIBDRN Cc1sc(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)nc1-c1ccccc1 ZINC000409716601 855617808 /nfs/dbraw/zinc/61/78/08/855617808.db2.gz MDCHJMZTJSCYLM-UHFFFAOYSA-N 0 0 406.467 4.481 20 5 HIBDRN O=C(NCCCc1c[nH]c2ccc(F)cc12)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000409781137 855650682 /nfs/dbraw/zinc/65/06/82/855650682.db2.gz CSGWYGWWICVMEW-UHFFFAOYSA-N 0 0 404.829 4.301 20 5 HIBDRN Cc1cccc2oc(CCNC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)nc21 ZINC000437385794 862704652 /nfs/dbraw/zinc/70/46/52/862704652.db2.gz QFVWHWCRBBMDLO-UHFFFAOYSA-N 0 0 422.485 4.253 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000409823594 855673760 /nfs/dbraw/zinc/67/37/60/855673760.db2.gz RWPKGADSQBBBKM-ZZXMYQEDSA-N 0 0 410.470 4.298 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F)O[C@@H](C)C2 ZINC000409906341 855716854 /nfs/dbraw/zinc/71/68/54/855716854.db2.gz YALIYUNCYSPXMP-HZUKXOBISA-N 0 0 400.406 4.198 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1ccc(F)cc1Cl ZINC000409959937 855746559 /nfs/dbraw/zinc/74/65/59/855746559.db2.gz MVIQGAOACOLJJB-SNVBAGLBSA-N 0 0 401.221 4.467 20 5 HIBDRN CC(C)(C(=O)NCCc1cccc([N+](=O)[O-])c1)c1csc(-c2cccs2)n1 ZINC000409987101 855763843 /nfs/dbraw/zinc/76/38/43/855763843.db2.gz HZWQHZFKGRGVHD-UHFFFAOYSA-N 0 0 401.513 4.416 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2ccc(F)cc2)CCOCC1 ZINC000410003936 855774401 /nfs/dbraw/zinc/77/44/01/855774401.db2.gz VRQYFXLETLONNJ-AWEZNQCLSA-N 0 0 404.463 4.037 20 5 HIBDRN O=C(Cc1c(F)ccc(Br)c1F)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000410022778 855783298 /nfs/dbraw/zinc/78/32/98/855783298.db2.gz UBPGVQDIKOUCMK-UHFFFAOYSA-N 0 0 411.202 4.157 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(N2CCc3ccccc32)CC1 ZINC000410030846 855787653 /nfs/dbraw/zinc/78/76/53/855787653.db2.gz QSDLDMOCEKNSAP-UHFFFAOYSA-N 0 0 400.866 4.307 20 5 HIBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1c(F)cccc1Oc1ccccc1 ZINC000410035421 855789709 /nfs/dbraw/zinc/78/97/09/855789709.db2.gz VYOZXKGPLMDCKS-UHFFFAOYSA-N 0 0 423.356 4.073 20 5 HIBDRN O=C(CCSc1nnc(-c2ccc(Cl)s2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000410040114 855792459 /nfs/dbraw/zinc/79/24/59/855792459.db2.gz XFYYXAFOHAEXGP-UHFFFAOYSA-N 0 0 410.864 4.481 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000410049662 855799476 /nfs/dbraw/zinc/79/94/76/855799476.db2.gz YQPRSIQWXTXCND-XMMPIXPASA-N 0 0 418.449 4.204 20 5 HIBDRN CCOc1ccc(CCC2CCN(C(=O)c3cc(OC)ccc3[N+](=O)[O-])CC2)cc1 ZINC000410130749 855832845 /nfs/dbraw/zinc/83/28/45/855832845.db2.gz NXTFLMPOFYQEQM-UHFFFAOYSA-N 0 0 412.486 4.487 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000410208957 855863529 /nfs/dbraw/zinc/86/35/29/855863529.db2.gz PEVGBHOYVNHFHQ-UHFFFAOYSA-N 0 0 405.458 4.156 20 5 HIBDRN C[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000410236086 855874975 /nfs/dbraw/zinc/87/49/75/855874975.db2.gz ZMABKWZBZNZBNC-BBRMVZONSA-N 0 0 403.866 4.015 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000410257117 855885523 /nfs/dbraw/zinc/88/55/23/855885523.db2.gz QHPLPDPILDRLBF-OAHLLOKOSA-N 0 0 423.288 4.089 20 5 HIBDRN COc1ccc(NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000410260542 855887121 /nfs/dbraw/zinc/88/71/21/855887121.db2.gz LXYJRZKWQROLAK-UHFFFAOYSA-N 0 0 421.247 4.358 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000410264817 855889441 /nfs/dbraw/zinc/88/94/41/855889441.db2.gz KVVASWJGJGZDGI-HNNXBMFYSA-N 0 0 414.531 4.259 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000410267724 855892031 /nfs/dbraw/zinc/89/20/31/855892031.db2.gz SAANCTMFEAEMIS-HZPDHXFCSA-N 0 0 414.531 4.014 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000410387193 855966779 /nfs/dbraw/zinc/96/67/79/855966779.db2.gz GGHSQMHLOXXRFD-UHFFFAOYSA-N 0 0 402.300 4.326 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000410397211 855972999 /nfs/dbraw/zinc/97/29/99/855972999.db2.gz JYCFMKIORQGVFM-UHFFFAOYSA-N 0 0 404.728 4.207 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CSc2ccc(Br)cc21 ZINC000425966543 856020737 /nfs/dbraw/zinc/02/07/37/856020737.db2.gz XFAMFXSALTUHJA-OAHLLOKOSA-N 0 0 422.304 4.046 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H](Oc4ncccc4F)C3)cs2)c1 ZINC000425974038 856024823 /nfs/dbraw/zinc/02/48/23/856024823.db2.gz BSPMPEPIDMZHAC-KRWDZBQOSA-N 0 0 414.462 4.296 20 5 HIBDRN CCCOc1c(Cl)cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OCC ZINC000425987646 856033634 /nfs/dbraw/zinc/03/36/34/856033634.db2.gz BNNNEQALGMGCIP-UHFFFAOYSA-N 0 0 422.913 4.469 20 5 HIBDRN CC(C)(C)[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)cc1F ZINC000426005306 856041597 /nfs/dbraw/zinc/04/15/97/856041597.db2.gz RTSZZAVKRFFPMU-SFHVURJKSA-N 0 0 421.448 4.203 20 5 HIBDRN CC(C)(CO)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000437402849 862750875 /nfs/dbraw/zinc/75/08/75/862750875.db2.gz DKEWKTVEFUICCA-OAHLLOKOSA-N 0 0 423.416 4.120 20 5 HIBDRN C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Oc1ccc(F)cc1 ZINC000426028707 856056819 /nfs/dbraw/zinc/05/68/19/856056819.db2.gz HNZKIFICTAELFT-NSHDSACASA-N 0 0 415.343 4.019 20 5 HIBDRN COCCC1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCC1 ZINC000426061567 856080712 /nfs/dbraw/zinc/08/07/12/856080712.db2.gz NMLKEVLFQOKOKE-UHFFFAOYSA-N 0 0 403.401 4.010 20 5 HIBDRN Nc1nc(C2CCCC2)ncc1-c1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000426230467 856191139 /nfs/dbraw/zinc/19/11/39/856191139.db2.gz CXRDSEITEKUOFQ-UHFFFAOYSA-N 0 0 424.464 4.428 20 5 HIBDRN CC(C)(C)[C@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000426239148 856196434 /nfs/dbraw/zinc/19/64/34/856196434.db2.gz QYARVKOJEXPTKN-DZGCQCFKSA-N 0 0 403.401 4.007 20 5 HIBDRN C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1(c2ccccc2)CCCC1 ZINC000426247937 856199844 /nfs/dbraw/zinc/19/98/44/856199844.db2.gz IYDLBMWUYDUNJY-KRWDZBQOSA-N 0 0 411.506 4.038 20 5 HIBDRN C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H](c2ccccc2)O1 ZINC000426253619 856203818 /nfs/dbraw/zinc/20/38/18/856203818.db2.gz ARHSCRPQMGCNBJ-UGSOOPFHSA-N 0 0 423.391 4.285 20 5 HIBDRN CC1CCN(c2ccc(CNC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cn2)CC1 ZINC000426258824 856207201 /nfs/dbraw/zinc/20/72/01/856207201.db2.gz ZHMQZMZTYPNUIT-UHFFFAOYSA-N 0 0 423.517 4.100 20 5 HIBDRN CN(Cc1ccc(F)cc1F)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426264500 856209242 /nfs/dbraw/zinc/20/92/42/856209242.db2.gz CVORGCJZYXLLND-UHFFFAOYSA-N 0 0 403.307 4.233 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCc2c(F)ccc(F)c2C1 ZINC000426263597 856209331 /nfs/dbraw/zinc/20/93/31/856209331.db2.gz NRSKOVONWGUTDC-UHFFFAOYSA-N 0 0 415.318 4.160 20 5 HIBDRN CCCOc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000426266593 856210976 /nfs/dbraw/zinc/21/09/76/856210976.db2.gz YZRYPQHTYCEGSJ-UHFFFAOYSA-N 0 0 413.474 4.266 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000426268328 856211139 /nfs/dbraw/zinc/21/11/39/856211139.db2.gz SAMOCIRSQUFYQJ-UHFFFAOYSA-N 0 0 423.391 4.408 20 5 HIBDRN CC1(C)CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC2(CCCC2)O1 ZINC000426281989 856218409 /nfs/dbraw/zinc/21/84/09/856218409.db2.gz PLMZJCNKCLMSEU-UHFFFAOYSA-N 0 0 415.412 4.247 20 5 HIBDRN O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426288380 856222565 /nfs/dbraw/zinc/22/25/65/856222565.db2.gz IUXJEAFGZFUJEH-UHFFFAOYSA-N 0 0 415.409 4.211 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000437412732 862775760 /nfs/dbraw/zinc/77/57/60/862775760.db2.gz YQSPRQSSBFXVSS-YEORSEQZSA-N 0 0 408.332 4.018 20 5 HIBDRN CC(C)(c1nc(-c2ccnc(OCC(F)(F)F)c2)no1)c1ccccc1[N+](=O)[O-] ZINC000426412963 856278991 /nfs/dbraw/zinc/27/89/91/856278991.db2.gz QIZFXRDYDXXHKZ-UHFFFAOYSA-N 0 0 408.336 4.307 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000426419438 856281429 /nfs/dbraw/zinc/28/14/29/856281429.db2.gz JDOYVJGMYOYOIZ-QGZVFWFLSA-N 0 0 422.254 4.471 20 5 HIBDRN COC(=O)[C@@H](C)CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000426442450 856292073 /nfs/dbraw/zinc/29/20/73/856292073.db2.gz AWJLRZRITIXWTM-AWEZNQCLSA-N 0 0 414.483 4.160 20 5 HIBDRN CC[C@]1(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])OCCc2ccccc21 ZINC000426479535 856313547 /nfs/dbraw/zinc/31/35/47/856313547.db2.gz LLHAARZHXMECIK-XMMPIXPASA-N 0 0 417.465 4.265 20 5 HIBDRN CC[C@@]1(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])OCCc2ccccc21 ZINC000426479534 856313790 /nfs/dbraw/zinc/31/37/90/856313790.db2.gz LLHAARZHXMECIK-DEOSSOPVSA-N 0 0 417.465 4.265 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SCc1cccc(OC(F)F)c1 ZINC000426555539 856346177 /nfs/dbraw/zinc/34/61/77/856346177.db2.gz AAVRNKPUEGFBHN-LLVKDONJSA-N 0 0 412.414 4.465 20 5 HIBDRN Cc1cn2c(nc(C)c2-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)s1 ZINC000426612654 856373369 /nfs/dbraw/zinc/37/33/69/856373369.db2.gz YWELSSXTVXLWJG-UHFFFAOYSA-N 0 0 401.423 4.436 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+]C[C@H](CC(=O)[O-])c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000426633338 856383693 /nfs/dbraw/zinc/38/36/93/856383693.db2.gz FEBGLIOQTYFRLN-INIZCTEOSA-N 0 0 410.426 4.212 20 5 HIBDRN CCc1nn(C)cc1-c1noc(-c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000426632398 856384217 /nfs/dbraw/zinc/38/42/17/856384217.db2.gz VSDFFTVDSMXAKI-ZDUSSCGKSA-N 0 0 419.445 4.176 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+]C[C@@H](Cc3ccc(C)cc3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426640012 856388666 /nfs/dbraw/zinc/38/86/66/856388666.db2.gz PXFSICMEHOLMLS-QGZVFWFLSA-N 0 0 424.453 4.205 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000426656656 856397202 /nfs/dbraw/zinc/39/72/02/856397202.db2.gz JIVXUMRQRMPLFR-UHFFFAOYSA-N 0 0 412.446 4.264 20 5 HIBDRN C[C@@H](CCCC(=O)[O-])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426661634 856399441 /nfs/dbraw/zinc/39/94/41/856399441.db2.gz UYCBJMFYRNMRES-INIZCTEOSA-N 0 0 408.458 4.181 20 5 HIBDRN CN(c1ccccc1)c1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426679227 856407989 /nfs/dbraw/zinc/40/79/89/856407989.db2.gz UPXQVNPEEGLLNO-HXUWFJFHSA-N 0 0 405.454 4.148 20 5 HIBDRN CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@H]2CC)c([N+](=O)[O-])c1 ZINC000426709196 856426148 /nfs/dbraw/zinc/42/61/48/856426148.db2.gz BKFVYDCPOVPFEO-CWLKWCNXSA-N 0 0 401.507 4.116 20 5 HIBDRN C[C@@]1(C(=O)[O-])CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426747216 856451450 /nfs/dbraw/zinc/45/14/50/856451450.db2.gz NSHQBWOAKGRVBS-NZQKXSOJSA-N 0 0 420.469 4.181 20 5 HIBDRN C[C@]1(C(=O)[O-])CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000426750909 856455218 /nfs/dbraw/zinc/45/52/18/856455218.db2.gz RCYRAULJVMEOAC-WMZOPIPTSA-N 0 0 423.263 4.350 20 5 HIBDRN COc1cccc(C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C(=O)[O-])c1 ZINC000426809214 856489856 /nfs/dbraw/zinc/48/98/56/856489856.db2.gz UFOPJBSJAOBTRG-GOSISDBHSA-N 0 0 412.467 4.117 20 5 HIBDRN CN(C)c1ncccc1N(C)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000426876819 856523487 /nfs/dbraw/zinc/52/34/87/856523487.db2.gz WHAUNVSGZGZKOP-UHFFFAOYSA-N 0 0 408.483 4.484 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000426924773 856544358 /nfs/dbraw/zinc/54/43/58/856544358.db2.gz IFKSTHYCTYSNOC-UHFFFAOYSA-N 0 0 423.269 4.389 20 5 HIBDRN NC(=O)c1ccc(CSCc2ccccc2OCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000437437349 862808137 /nfs/dbraw/zinc/80/81/37/862808137.db2.gz DURMEEXUKQHNCV-UHFFFAOYSA-N 0 0 400.378 4.068 20 5 HIBDRN CCCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000426949822 856558172 /nfs/dbraw/zinc/55/81/72/856558172.db2.gz YKVAFAFZRIDQIL-LBPRGKRZSA-N 0 0 414.293 4.281 20 5 HIBDRN COC1CCC(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000427067184 856618861 /nfs/dbraw/zinc/61/88/61/856618861.db2.gz MEZXVKWNXZRDDS-UHFFFAOYSA-N 0 0 406.426 4.027 20 5 HIBDRN O=C(c1ccc(OCc2ccncc2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437458314 862822434 /nfs/dbraw/zinc/82/24/34/862822434.db2.gz IILJRKITIVOTJD-UHFFFAOYSA-N 0 0 403.438 4.374 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000427215766 856716554 /nfs/dbraw/zinc/71/65/54/856716554.db2.gz CJORBSOVJKDTQE-LLVKDONJSA-N 0 0 420.347 4.078 20 5 HIBDRN CCn1c2ccccc2nc1SCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437467408 862829856 /nfs/dbraw/zinc/82/98/56/862829856.db2.gz NAUADSKSYYXQGL-UHFFFAOYSA-N 0 0 410.499 4.248 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1cccc(O)c1)CC1CC1 ZINC000427253378 856737913 /nfs/dbraw/zinc/73/79/13/856737913.db2.gz OHHQMMWNUICWMK-UHFFFAOYSA-N 0 0 404.850 4.162 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)n1 ZINC000427268366 856744312 /nfs/dbraw/zinc/74/43/12/856744312.db2.gz 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O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC([C@@H]2CCCO2)CC1 ZINC000427498581 856842508 /nfs/dbraw/zinc/84/25/08/856842508.db2.gz FKQWISKZDLWUPA-QFIPXVFZSA-N 0 0 410.470 4.205 20 5 HIBDRN CN(Cc1ccc(Br)c(F)c1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000427540952 856856478 /nfs/dbraw/zinc/85/64/78/856856478.db2.gz OERJNABEYCHHMC-UHFFFAOYSA-N 0 0 406.211 4.250 20 5 HIBDRN O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000427547952 856859781 /nfs/dbraw/zinc/85/97/81/856859781.db2.gz BDVCHKDXGKOVEY-LAUBAEHRSA-N 0 0 413.499 4.123 20 5 HIBDRN O=C(Nc1cccc(Oc2ccccn2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000437486910 862844488 /nfs/dbraw/zinc/84/44/88/862844488.db2.gz XJGGIQPCDOCXAM-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN CCCN(CC)C(=O)c1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000427571076 856871347 /nfs/dbraw/zinc/87/13/47/856871347.db2.gz IDNRSFVLTHVLEI-UHFFFAOYSA-N 0 0 409.486 4.272 20 5 HIBDRN COCCn1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc21 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4.130 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC12CCCC2 ZINC000430258374 858098673 /nfs/dbraw/zinc/09/86/73/858098673.db2.gz MMHFLYLHLGGXRZ-OAQYLSRUSA-N 0 0 416.481 4.439 20 5 HIBDRN CCCC[C@@H](CCC)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000430309779 858117757 /nfs/dbraw/zinc/11/77/57/858117757.db2.gz YCRHZCLVWGLHQO-CYBMUJFWSA-N 0 0 414.300 4.079 20 5 HIBDRN C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@]1=O ZINC000430365561 858135599 /nfs/dbraw/zinc/13/55/99/858135599.db2.gz MHZMUSDCXDLHFH-CFJPQMKISA-N 0 0 422.890 4.024 20 5 HIBDRN Cc1cc(OCC(=O)N(Cc2ccco2)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000430403321 858146672 /nfs/dbraw/zinc/14/66/72/858146672.db2.gz GPMXVBHVXOCVNG-UHFFFAOYSA-N 0 0 402.353 4.387 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)ccc1[N+](=O)[O-] ZINC000430418284 858151815 /nfs/dbraw/zinc/15/18/15/858151815.db2.gz OMNKCVIMZUTQLP-UHFFFAOYSA-N 0 0 406.442 4.121 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000430438061 858162957 /nfs/dbraw/zinc/16/29/57/858162957.db2.gz LRLMDDWQEGQMLS-HOTGVXAUSA-N 0 0 415.660 4.285 20 5 HIBDRN Cc1sc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1[N+](=O)[O-] ZINC000430439727 858164639 /nfs/dbraw/zinc/16/46/39/858164639.db2.gz PXFGYKGXHWUFHM-UKRRQHHQSA-N 0 0 401.271 4.002 20 5 HIBDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000430551720 858215526 /nfs/dbraw/zinc/21/55/26/858215526.db2.gz MRTDOZWQTUMELV-CYBMUJFWSA-N 0 0 401.488 4.085 20 5 HIBDRN C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000430590524 858229759 /nfs/dbraw/zinc/22/97/59/858229759.db2.gz CWBOVZKXJQMWBE-LBPRGKRZSA-N 0 0 404.264 4.090 20 5 HIBDRN Cc1ccc(OC2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1 ZINC000430596804 858232254 /nfs/dbraw/zinc/23/22/54/858232254.db2.gz PMKUCANARDNJHY-UHFFFAOYSA-N 0 0 419.275 4.349 20 5 HIBDRN COc1ccccc1C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000430617274 858238634 /nfs/dbraw/zinc/23/86/34/858238634.db2.gz LHQFIGXEMBORCA-INIZCTEOSA-N 0 0 421.291 4.363 20 5 HIBDRN C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430641997 858244617 /nfs/dbraw/zinc/24/46/17/858244617.db2.gz NQVWFMKMHIUMAF-GFCCVEGCSA-N 0 0 404.264 4.233 20 5 HIBDRN COc1ccc(CSCC(=O)N2c3ccccc3SC[C@@H]2C)cc1[N+](=O)[O-] ZINC000430656840 858252368 /nfs/dbraw/zinc/25/23/68/858252368.db2.gz VDWNYSJLNWOWKL-ZDUSSCGKSA-N 0 0 404.513 4.364 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1c(-c2ccncc2)nc2ccccn21 ZINC000430668665 858259924 /nfs/dbraw/zinc/25/99/24/858259924.db2.gz QARPMVJQFVKBGC-UHFFFAOYSA-N 0 0 405.439 4.035 20 5 HIBDRN COCc1nc2cc(NC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)ccc2o1 ZINC000430803385 858310708 /nfs/dbraw/zinc/31/07/08/858310708.db2.gz SZIBTGPXBMRWNP-CQSZACIVSA-N 0 0 424.457 4.371 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)ccc1[N+](=O)[O-] ZINC000430833070 858323094 /nfs/dbraw/zinc/32/30/94/858323094.db2.gz LYBDBHFYXHTBDP-GOSISDBHSA-N 0 0 414.849 4.175 20 5 HIBDRN O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000430862212 858340905 /nfs/dbraw/zinc/34/09/05/858340905.db2.gz NYHGZVYGNUOUNM-FUHWJXTLSA-N 0 0 408.376 4.481 20 5 HIBDRN Cc1ccnc(-c2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)n1 ZINC000430907688 858365049 /nfs/dbraw/zinc/36/50/49/858365049.db2.gz FHOMBXMNHBKVTM-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000431087262 858441004 /nfs/dbraw/zinc/44/10/04/858441004.db2.gz AONGVSQVXALCHP-UHFFFAOYSA-N 0 0 401.463 4.205 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000431091717 858443733 /nfs/dbraw/zinc/44/37/33/858443733.db2.gz UWUSCKXISIGYKH-LBPRGKRZSA-N 0 0 417.314 4.467 20 5 HIBDRN CC(C)(NC(=O)Nc1nnc(Cc2ccccc2F)s1)c1ccc([N+](=O)[O-])cc1 ZINC000431174673 858486968 /nfs/dbraw/zinc/48/69/68/858486968.db2.gz FSYAIJRXINEWJL-UHFFFAOYSA-N 0 0 415.450 4.233 20 5 HIBDRN COCc1ccccc1/C=C(C)/C=C1\CCn2c1nc1ccc([N+](=O)[O-])cc1c2=O ZINC000431179781 858490183 /nfs/dbraw/zinc/49/01/83/858490183.db2.gz MVNSPMTZNFWBHW-SSZXNVRRSA-N 0 0 403.438 4.342 20 5 HIBDRN Cc1c(NC(=O)c2ccc3c(c2)OCCCO3)cc(Br)cc1[N+](=O)[O-] ZINC000431182504 858492159 /nfs/dbraw/zinc/49/21/59/858492159.db2.gz NAWBTDUBVUXILF-UHFFFAOYSA-N 0 0 407.220 4.079 20 5 HIBDRN Cc1c(NC(=O)c2ccnc(N3CC[C@H](C)C3)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431233908 858520983 /nfs/dbraw/zinc/52/09/83/858520983.db2.gz GFSAOCGCPSTVNR-NSHDSACASA-N 0 0 419.279 4.159 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2c3c(ccc2Cl)CC(C)(C)O3)cc([N+](=O)[O-])c1 ZINC000431243110 858526812 /nfs/dbraw/zinc/52/68/12/858526812.db2.gz BQRDRCBFFWLXLB-UHFFFAOYSA-N 0 0 418.833 4.391 20 5 HIBDRN Cc1c(NC(=O)C2(c3ccccc3)CCOCC2)cc(Br)cc1[N+](=O)[O-] ZINC000431271460 858540990 /nfs/dbraw/zinc/54/09/90/858540990.db2.gz ZLCKBZGBOVVHES-UHFFFAOYSA-N 0 0 419.275 4.353 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C12CCCCC2 ZINC000431328430 858567765 /nfs/dbraw/zinc/56/77/65/858567765.db2.gz WAUJZRWZDOUURN-HZPDHXFCSA-N 0 0 411.296 4.215 20 5 HIBDRN C[C@@H]1CN(c2ccccc2NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000431407715 858599927 /nfs/dbraw/zinc/59/99/27/858599927.db2.gz QJUKKEMACCVLJD-HZPDHXFCSA-N 0 0 412.490 4.265 20 5 HIBDRN Cc1c(NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000431433577 858612581 /nfs/dbraw/zinc/61/25/81/858612581.db2.gz LAWMTJFMDLUXMP-CQSZACIVSA-N 0 0 417.771 4.431 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(CO)(c3ccccc3)CC2)nc1-c1ccc(F)cc1 ZINC000431476987 858635247 /nfs/dbraw/zinc/63/52/47/858635247.db2.gz ZHMBXEZJTYFZHP-UHFFFAOYSA-N 0 0 407.445 4.326 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ncc(Br)cn1 ZINC000431480587 858637326 /nfs/dbraw/zinc/63/73/26/858637326.db2.gz DPHSYCPVSYQMKC-SSDOTTSWSA-N 0 0 402.046 4.083 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000431498595 858644731 /nfs/dbraw/zinc/64/47/31/858644731.db2.gz ALERSHNDSKAXOY-PIGZYNQJSA-N 0 0 423.238 4.099 20 5 HIBDRN CCOc1cc(NC(=O)NCc2ccn(C3CCCC3)n2)c([N+](=O)[O-])cc1OCC ZINC000431547997 858665613 /nfs/dbraw/zinc/66/56/13/858665613.db2.gz VDKSOWSWMQNEJQ-UHFFFAOYSA-N 0 0 417.466 4.026 20 5 HIBDRN COc1ccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C(C)C)cc1 ZINC000431573683 858674053 /nfs/dbraw/zinc/67/40/53/858674053.db2.gz CMFLHFWIEPBHCG-OAQYLSRUSA-N 0 0 409.442 4.044 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC1(c2ccc(F)cc2)CCCC1 ZINC000431590108 858679471 /nfs/dbraw/zinc/67/94/71/858679471.db2.gz PERXIBHUMIFMCJ-UHFFFAOYSA-N 0 0 409.417 4.247 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000437723170 863053998 /nfs/dbraw/zinc/05/39/98/863053998.db2.gz QYPRYTJCBKZDNY-DNVCBOLYSA-N 0 0 424.906 4.003 20 5 HIBDRN COc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000431665736 858724232 /nfs/dbraw/zinc/72/42/32/858724232.db2.gz GSNRQIQPURQEOH-INIZCTEOSA-N 0 0 420.849 4.070 20 5 HIBDRN Cc1nn(CCC(=O)N2CC[C@@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000437727576 863057158 /nfs/dbraw/zinc/05/71/58/863057158.db2.gz YINWZSFGPRFJEW-KZULUSFZSA-N 0 0 424.423 4.427 20 5 HIBDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431757095 858793552 /nfs/dbraw/zinc/79/35/52/858793552.db2.gz BNPDIDSSOXCJQB-UHFFFAOYSA-N 0 0 423.263 4.037 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000431775396 858805670 /nfs/dbraw/zinc/80/56/70/858805670.db2.gz WXXGGYVORJWFKA-AWEZNQCLSA-N 0 0 401.463 4.298 20 5 HIBDRN CC(C)(NC(=O)NCc1cc(F)ccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000431775611 858806081 /nfs/dbraw/zinc/80/60/81/858806081.db2.gz YHWWPETYWQHKGQ-UHFFFAOYSA-N 0 0 410.243 4.231 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000431779030 858807707 /nfs/dbraw/zinc/80/77/07/858807707.db2.gz PVJZAAQCUOIFBA-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN CC(C)(NC(=O)NCC1(c2ccc(F)cc2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431783130 858809989 /nfs/dbraw/zinc/80/99/89/858809989.db2.gz HTIPOCQNLNEUNL-UHFFFAOYSA-N 0 0 415.465 4.017 20 5 HIBDRN COCCCOc1ccccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431785896 858810717 /nfs/dbraw/zinc/81/07/17/858810717.db2.gz BCEGIXWEJYYMQG-UHFFFAOYSA-N 0 0 409.236 4.025 20 5 HIBDRN COCCn1nc(C)c(Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])c1C ZINC000431834413 858832493 /nfs/dbraw/zinc/83/24/93/858832493.db2.gz ROPDNLBAWLWKJV-UHFFFAOYSA-N 0 0 423.473 4.359 20 5 HIBDRN CC(C)COC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccco1 ZINC000431944480 858881130 /nfs/dbraw/zinc/88/11/30/858881130.db2.gz YMHDHYNPMQKJTN-HNNXBMFYSA-N 0 0 411.252 4.094 20 5 HIBDRN Cc1ccc([C@@H](C)N2C(=O)[C@@H](c3cc(F)c(F)c(F)c3)N(C)C2=O)cc1[N+](=O)[O-] ZINC000431954900 858885998 /nfs/dbraw/zinc/88/59/98/858885998.db2.gz OLSLYQAKPROTIP-BMLIUANNSA-N 0 0 407.348 4.017 20 5 HIBDRN COc1ccc(NC(=O)CN2CCCC[C@@H]2c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000432020575 858932899 /nfs/dbraw/zinc/93/28/99/858932899.db2.gz SJWTXVLPNSSKGE-GOSISDBHSA-N 0 0 405.401 4.047 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432043197 858947129 /nfs/dbraw/zinc/94/71/29/858947129.db2.gz ZRYZVSIWBLWMDP-GOSISDBHSA-N 0 0 405.401 4.047 20 5 HIBDRN O=C(c1cc(N(Cc2cccs2)C[C@@H]2CCCO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000432047075 858948031 /nfs/dbraw/zinc/94/80/31/858948031.db2.gz GEHXALUHDRSNAJ-KRWDZBQOSA-N 0 0 415.515 4.078 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000432091129 858982501 /nfs/dbraw/zinc/98/25/01/858982501.db2.gz UTSJMXPHBKHMBH-INIZCTEOSA-N 0 0 418.291 4.132 20 5 HIBDRN O=[N+]([O-])c1ccc(NC2(Cc3ccc(F)cc3Br)CCOCC2)nc1 ZINC000432167709 859026717 /nfs/dbraw/zinc/02/67/17/859026717.db2.gz XRBUKWQRQZZLRM-UHFFFAOYSA-N 0 0 410.243 4.095 20 5 HIBDRN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC[C@@H]1c1ccccc1 ZINC000432187863 859037860 /nfs/dbraw/zinc/03/78/60/859037860.db2.gz XPJHGNFBMYHTQY-AEFFLSMTSA-N 0 0 405.454 4.174 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432223118 859055210 /nfs/dbraw/zinc/05/52/10/859055210.db2.gz LPTVSHHRWKLRHQ-GOSISDBHSA-N 0 0 412.243 4.272 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3cc(C)ccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000432266648 859076400 /nfs/dbraw/zinc/07/64/00/859076400.db2.gz GJOACWCMFJERJR-UHFFFAOYSA-N 0 0 418.881 4.309 20 5 HIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432327089 859104251 /nfs/dbraw/zinc/10/42/51/859104251.db2.gz RRFTUCILZFRDAT-MRXNPFEDSA-N 0 0 407.474 4.158 20 5 HIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432327088 859104780 /nfs/dbraw/zinc/10/47/80/859104780.db2.gz RRFTUCILZFRDAT-INIZCTEOSA-N 0 0 407.474 4.158 20 5 HIBDRN C[C@H]1CC[S@@](=O)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000432443068 859166615 /nfs/dbraw/zinc/16/66/15/859166615.db2.gz TUCMDMXBQMNRLD-CFJPQMKISA-N 0 0 422.890 4.024 20 5 HIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])NCC[C@H](c1ccccc1)C(F)(F)F ZINC000432453168 859171212 /nfs/dbraw/zinc/17/12/12/859171212.db2.gz HQPIJWNOUCSDPP-OAHLLOKOSA-N 0 0 410.396 4.042 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(C(F)(F)F)ccc1F ZINC000432488520 859189765 /nfs/dbraw/zinc/18/97/65/859189765.db2.gz GAIMPCJGRCUKAD-UHFFFAOYSA-N 0 0 409.295 4.318 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1C ZINC000467581752 881396797 /nfs/dbraw/zinc/39/67/97/881396797.db2.gz YUZAFTSZDHTARH-UHFFFAOYSA-N 0 0 403.435 4.109 20 5 HIBDRN CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432673931 859284578 /nfs/dbraw/zinc/28/45/78/859284578.db2.gz YUPKCZVTQNKTTL-UHFFFAOYSA-N 0 0 412.627 4.221 20 5 HIBDRN C[C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCS1(=O)=O ZINC000432801052 859367617 /nfs/dbraw/zinc/36/76/17/859367617.db2.gz SNYADLJYSWOOID-AWEZNQCLSA-N 0 0 424.906 4.050 20 5 HIBDRN Nc1c(F)c(N2CCC(Nc3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] ZINC000432936082 859437999 /nfs/dbraw/zinc/43/79/99/859437999.db2.gz CHXHDYBXWIATER-UHFFFAOYSA-N 0 0 409.259 4.160 20 5 HIBDRN O=C(NC[C@H](O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000467634694 881432456 /nfs/dbraw/zinc/43/24/56/881432456.db2.gz BEKUWKAACWTFFF-AWEZNQCLSA-N 0 0 420.796 4.052 20 5 HIBDRN C[C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[S@@]1=O ZINC000433035996 859493051 /nfs/dbraw/zinc/49/30/51/859493051.db2.gz PWZTUTJKLFAKSU-PWFNWSNSSA-N 0 0 408.907 4.383 20 5 HIBDRN CC1(C)C[C@@H](Nc2cccc(N3CCC(C(N)=O)CC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433226051 859578093 /nfs/dbraw/zinc/57/80/93/859578093.db2.gz FCHJFEMJGJSRLQ-OAQYLSRUSA-N 0 0 408.502 4.131 20 5 HIBDRN CC1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 ZINC000467642267 881438749 /nfs/dbraw/zinc/43/87/49/881438749.db2.gz XRJPVNDFTFKBRN-UHFFFAOYSA-N 0 0 406.891 4.386 20 5 HIBDRN O=C(NCCC[C@H]1CCCC[C@H]1O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000433271767 859607218 /nfs/dbraw/zinc/60/72/18/859607218.db2.gz NTUNPCWYMKKGNG-XMSQKQJNSA-N 0 0 411.502 4.268 20 5 HIBDRN CCCN(C(=O)c1ccccc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000433480776 859723935 /nfs/dbraw/zinc/72/39/35/859723935.db2.gz PPIKLPFLXVNRSF-NRFANRHFSA-N 0 0 424.501 4.073 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1occc1Br ZINC000433504672 859740235 /nfs/dbraw/zinc/74/02/35/859740235.db2.gz ZCOVUNWQNPFRTG-UHFFFAOYSA-N 0 0 415.199 4.434 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000433551468 859771541 /nfs/dbraw/zinc/77/15/41/859771541.db2.gz TYIKDICUMNUPNP-UHFFFAOYSA-N 0 0 424.482 4.108 20 5 HIBDRN Cc1cc(C)n(Cc2cccc(-c3noc(-c4n[nH]c(C(C)C)c4[N+](=O)[O-])n3)c2)n1 ZINC000433626177 859815684 /nfs/dbraw/zinc/81/56/84/859815684.db2.gz PWAKRXSFRLVYTK-UHFFFAOYSA-N 0 0 407.434 4.020 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000433735619 859864440 /nfs/dbraw/zinc/86/44/40/859864440.db2.gz BTNLBYWGZAGCHZ-SNVBAGLBSA-N 0 0 413.318 4.217 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(Br)c(C)c2F)cc1[N+](=O)[O-] ZINC000433737706 859866484 /nfs/dbraw/zinc/86/64/84/859866484.db2.gz ZCHHJJSANHSARN-UHFFFAOYSA-N 0 0 412.215 4.135 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000433747874 859873092 /nfs/dbraw/zinc/87/30/92/859873092.db2.gz HZUKINLQMLPTCK-GDLZYMKVSA-N 0 0 412.471 4.001 20 5 HIBDRN CC[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000433757078 859879009 /nfs/dbraw/zinc/87/90/09/859879009.db2.gz NFSIIKPOWPFSGL-GFCCVEGCSA-N 0 0 423.311 4.203 20 5 HIBDRN CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000433761554 859881356 /nfs/dbraw/zinc/88/13/56/859881356.db2.gz CPXZNFSDNKBIHZ-HXUWFJFHSA-N 0 0 407.474 4.396 20 5 HIBDRN Cc1nc(-c2ccccc2NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cs1 ZINC000433785477 859892391 /nfs/dbraw/zinc/89/23/91/859892391.db2.gz JFWBZYUQSJBZTC-UHFFFAOYSA-N 0 0 408.443 4.225 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC(F)(c3ccccc3)CC2)c(C)c([N+](=O)[O-])c1 ZINC000433832088 859920326 /nfs/dbraw/zinc/92/03/26/859920326.db2.gz HFEOBCDHEIDXPS-UHFFFAOYSA-N 0 0 415.421 4.183 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)Cc3cc(F)cc(F)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000433998350 860027752 /nfs/dbraw/zinc/02/77/52/860027752.db2.gz WNKYDMHXEAPZHX-UHFFFAOYSA-N 0 0 414.412 4.007 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)Cc3cc(C)cc(C)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000433998971 860028984 /nfs/dbraw/zinc/02/89/84/860028984.db2.gz ZKCMPNVSBATYAC-UHFFFAOYSA-N 0 0 406.486 4.345 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(-c3ccco3)nc3ccccn32)cc1OC ZINC000434062016 860071916 /nfs/dbraw/zinc/07/19/16/860071916.db2.gz HXZCMHUFJKCJNP-UHFFFAOYSA-N 0 0 422.397 4.162 20 5 HIBDRN Cc1ccc(NCCCNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)c([N+](=O)[O-])c1 ZINC000434077652 860086580 /nfs/dbraw/zinc/08/65/80/860086580.db2.gz URNKGFGCHITRJN-UHFFFAOYSA-N 0 0 421.457 4.063 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000434086172 860093021 /nfs/dbraw/zinc/09/30/21/860093021.db2.gz ATYOPRHCNSZMHN-OAHLLOKOSA-N 0 0 420.412 4.471 20 5 HIBDRN C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000434250280 860229725 /nfs/dbraw/zinc/22/97/25/860229725.db2.gz QOVGWSWDUOAIME-HSZRJFAPSA-N 0 0 404.470 4.266 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000434281098 860249402 /nfs/dbraw/zinc/24/94/02/860249402.db2.gz PMLVNFFKRPTLHF-OAHLLOKOSA-N 0 0 413.449 4.408 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@H](CC(F)(F)F)C1 ZINC000434289585 860255851 /nfs/dbraw/zinc/25/58/51/860255851.db2.gz UZHPZFCETXZXFD-JTQLQIEISA-N 0 0 410.342 4.374 20 5 HIBDRN C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000434291640 860256824 /nfs/dbraw/zinc/25/68/24/860256824.db2.gz FLSABDVYMFZOQS-XHSDSOJGSA-N 0 0 413.474 4.061 20 5 HIBDRN C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000434291637 860256832 /nfs/dbraw/zinc/25/68/32/860256832.db2.gz FLSABDVYMFZOQS-BZUAXINKSA-N 0 0 413.474 4.061 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Br)ccc2OC(C)C)ccc1[N+](=O)[O-] ZINC000434329066 860290705 /nfs/dbraw/zinc/29/07/05/860290705.db2.gz YDJGNVKMNLXCOC-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN O=C(NCc1nccn1CCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000434363326 860312569 /nfs/dbraw/zinc/31/25/69/860312569.db2.gz PQYQJARFVBCYRL-UHFFFAOYSA-N 0 0 406.467 4.179 20 5 HIBDRN CCOc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000467731542 881532457 /nfs/dbraw/zinc/53/24/57/881532457.db2.gz LDMFDOQYCXBUON-LJQANCHMSA-N 0 0 406.504 4.200 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC000434663279 860450717 /nfs/dbraw/zinc/45/07/17/860450717.db2.gz FIKRWHONMMVMPC-CQSZACIVSA-N 0 0 415.204 4.075 20 5 HIBDRN COc1ccccc1Nc1nnc(SCc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000434790923 860495663 /nfs/dbraw/zinc/49/56/63/860495663.db2.gz ABRHXNVMEPFLCJ-UHFFFAOYSA-N 0 0 415.456 4.632 20 5 HIBDRN CC1CCN(c2nnc(SCc3nc4cc([N+](=O)[O-])ccc4o3)n2C2CC2)CC1 ZINC000434804484 860501235 /nfs/dbraw/zinc/50/12/35/860501235.db2.gz UDKSABGTGWOEEV-UHFFFAOYSA-N 0 0 414.491 4.191 20 5 HIBDRN Cc1ccccc1Cc1nc(COc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000434809696 860503684 /nfs/dbraw/zinc/50/36/84/860503684.db2.gz VPHISZDKYJLESK-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN O=C1[C@H](Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCN1CC(F)(F)F ZINC000434877149 860530879 /nfs/dbraw/zinc/53/08/79/860530879.db2.gz NNNPJRLDSMJEST-LLVKDONJSA-N 0 0 417.434 4.383 20 5 HIBDRN Cc1nc2cc(Cl)c(NC(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2s1 ZINC000435185214 860685365 /nfs/dbraw/zinc/68/53/65/860685365.db2.gz VZITVTVMLJBLRL-UHFFFAOYSA-N 0 0 416.850 4.364 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(F)c(F)cc1Br ZINC000435261362 860707523 /nfs/dbraw/zinc/70/75/23/860707523.db2.gz ZTSGKUOGZUZOET-UHFFFAOYSA-N 0 0 401.163 4.043 20 5 HIBDRN O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000435276282 860713275 /nfs/dbraw/zinc/71/32/75/860713275.db2.gz CZKKWHWKLCUJRY-MRXNPFEDSA-N 0 0 417.421 4.243 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435323759 860735513 /nfs/dbraw/zinc/73/55/13/860735513.db2.gz PAGUNKFBHKYUIE-CYBMUJFWSA-N 0 0 412.284 4.279 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCOC3(CCCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435323760 860735679 /nfs/dbraw/zinc/73/56/79/860735679.db2.gz PAGUNKFBHKYUIE-ZDUSSCGKSA-N 0 0 412.284 4.279 20 5 HIBDRN Cc1c(NC(=O)NCCCNc2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000435323732 860735895 /nfs/dbraw/zinc/73/58/95/860735895.db2.gz OVPBKLBRTTVEGC-UHFFFAOYSA-N 0 0 407.268 4.289 20 5 HIBDRN Cc1cc([C@H]2CCCN2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)on1 ZINC000435324646 860736642 /nfs/dbraw/zinc/73/66/42/860736642.db2.gz XCKCEFFFRRWBFG-CYBMUJFWSA-N 0 0 409.240 4.331 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000435326282 860737165 /nfs/dbraw/zinc/73/71/65/860737165.db2.gz CGZHHBGTEBMNRE-UKRRQHHQSA-N 0 0 422.283 4.168 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@H]2c2ccncc2)cc(Br)cc1[N+](=O)[O-] ZINC000435326303 860737546 /nfs/dbraw/zinc/73/75/46/860737546.db2.gz CJSPCKBXWJPALF-HNNXBMFYSA-N 0 0 405.252 4.430 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)c1 ZINC000435326957 860738429 /nfs/dbraw/zinc/73/84/29/860738429.db2.gz KPDLJVXXSHHNEM-UHFFFAOYSA-N 0 0 421.906 4.055 20 5 HIBDRN CCO[C@@H]1C[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C12CCC2 ZINC000435326872 860738465 /nfs/dbraw/zinc/73/84/65/860738465.db2.gz FCXJOJCUFDHNLY-HUUCEWRRSA-N 0 0 412.284 4.135 20 5 HIBDRN Cc1c(NC(=O)N(CCO)CC2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435326664 860738533 /nfs/dbraw/zinc/73/85/33/860738533.db2.gz DXWYKCGSMZTYCW-UHFFFAOYSA-N 0 0 414.300 4.072 20 5 HIBDRN Cc1c(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000435327422 860739217 /nfs/dbraw/zinc/73/92/17/860739217.db2.gz HJRAMHYYCMRSAS-ZDUSSCGKSA-N 0 0 408.256 4.148 20 5 HIBDRN Cc1c(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435328952 860740770 /nfs/dbraw/zinc/74/07/70/860740770.db2.gz NPYSHKGMLCYZQN-SCZZXKLOSA-N 0 0 410.190 4.470 20 5 HIBDRN Cc1noc(C)c1[C@H](C)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435330632 860741342 /nfs/dbraw/zinc/74/13/42/860741342.db2.gz VAGCMCBJEOBKOR-MRVPVSSYSA-N 0 0 411.256 4.196 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@H]2c2cccnc2)cc(Br)cc1[N+](=O)[O-] ZINC000435330563 860741508 /nfs/dbraw/zinc/74/15/08/860741508.db2.gz UJWRNRUSNISMSL-HNNXBMFYSA-N 0 0 405.252 4.430 20 5 HIBDRN CCCO[C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000435329651 860741549 /nfs/dbraw/zinc/74/15/49/860741549.db2.gz QNDXHTJMCQZSJC-CQSZACIVSA-N 0 0 414.300 4.479 20 5 HIBDRN COc1ccccc1CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435331339 860742245 /nfs/dbraw/zinc/74/22/45/860742245.db2.gz GCOWPHTWMFPQOJ-UHFFFAOYSA-N 0 0 408.252 4.039 20 5 HIBDRN CCOCCC1(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CCC1 ZINC000435331163 860742459 /nfs/dbraw/zinc/74/24/59/860742459.db2.gz YXAZLUUALVFRNJ-UHFFFAOYSA-N 0 0 414.300 4.384 20 5 HIBDRN COC1(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CCCCC1 ZINC000435330925 860742516 /nfs/dbraw/zinc/74/25/16/860742516.db2.gz XIFYEOBYJQLHFK-UHFFFAOYSA-N 0 0 400.273 4.137 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C ZINC000435361589 860761982 /nfs/dbraw/zinc/76/19/82/860761982.db2.gz FZQKTOSQXVOMAB-OSPHWJPCSA-N 0 0 418.497 4.095 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1F ZINC000435377044 860774233 /nfs/dbraw/zinc/77/42/33/860774233.db2.gz XMOSKWYSOLNOEX-ZDUSSCGKSA-N 0 0 400.435 4.347 20 5 HIBDRN Cn1nnc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3Sc3cccs3)ccc21 ZINC000435442970 860800651 /nfs/dbraw/zinc/80/06/51/860800651.db2.gz NYZIECHGKYYPAP-UHFFFAOYSA-N 0 0 411.468 4.342 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)c([N+](=O)[O-])cc1OC ZINC000435444022 860800738 /nfs/dbraw/zinc/80/07/38/860800738.db2.gz QBSWAQCNDFLAMA-UHFFFAOYSA-N 0 0 410.430 4.057 20 5 HIBDRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000435454828 860804847 /nfs/dbraw/zinc/80/48/47/860804847.db2.gz BHLKMIAEJSAWNU-SFHVURJKSA-N 0 0 409.895 4.343 20 5 HIBDRN C[C@@H]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435472271 860810901 /nfs/dbraw/zinc/81/09/01/860810901.db2.gz DVTKLKHYXSBTBE-GFCCVEGCSA-N 0 0 405.501 4.005 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1csc(CCc2ccccc2)n1 ZINC000435515489 860834312 /nfs/dbraw/zinc/83/43/12/860834312.db2.gz HEBUUJBUSVBWHL-UHFFFAOYSA-N 0 0 410.499 4.178 20 5 HIBDRN O=C(NCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435522305 860838661 /nfs/dbraw/zinc/83/86/61/860838661.db2.gz LMEWNBYFFZQTSD-UHFFFAOYSA-N 0 0 413.480 4.062 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000435520880 860839175 /nfs/dbraw/zinc/83/91/75/860839175.db2.gz FARSHCVHOIDWBJ-NRFANRHFSA-N 0 0 406.438 4.440 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1[N+](=O)[O-] ZINC000435566928 860887941 /nfs/dbraw/zinc/88/79/41/860887941.db2.gz XSMUKZBSQBDKBK-UHFFFAOYSA-N 0 0 422.393 4.163 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@H]2C[C@@H]2c2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000435578050 860895322 /nfs/dbraw/zinc/89/53/22/860895322.db2.gz WLDGUCMRCBALDD-ZBFHGGJFSA-N 0 0 405.401 4.302 20 5 HIBDRN CS(=O)(=O)c1cccc(N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000435590105 860898761 /nfs/dbraw/zinc/89/87/61/860898761.db2.gz WTLCNJFQQSHAAN-MQMHXKEQSA-N 0 0 414.405 4.375 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000435592162 860899728 /nfs/dbraw/zinc/89/97/28/860899728.db2.gz GKYVPHFLZLTPBO-MOPGFXCFSA-N 0 0 407.470 4.029 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)c1[N+](=O)[O-] ZINC000435654080 860937487 /nfs/dbraw/zinc/93/74/87/860937487.db2.gz JAZVJYBMTPYFSR-UHFFFAOYSA-N 0 0 421.457 4.149 20 5 HIBDRN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435710387 860993220 /nfs/dbraw/zinc/99/32/20/860993220.db2.gz UONNWZZJUBWZHI-SFHVURJKSA-N 0 0 411.483 4.132 20 5 HIBDRN C[C@@H](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000467782394 881601867 /nfs/dbraw/zinc/60/18/67/881601867.db2.gz DEZIVPQCKPBYDS-LBPRGKRZSA-N 0 0 402.394 4.086 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c1[N+](=O)[O-] ZINC000435748728 861028987 /nfs/dbraw/zinc/02/89/87/861028987.db2.gz GIHFUZKOAHXIHP-UHFFFAOYSA-N 0 0 402.410 4.254 20 5 HIBDRN COc1cccc(C(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1[N+](=O)[O-] ZINC000435811969 861076813 /nfs/dbraw/zinc/07/68/13/861076813.db2.gz VIVAZLTWWTUAFB-HNNXBMFYSA-N 0 0 400.822 4.110 20 5 HIBDRN CN(CCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 ZINC000435821031 861084917 /nfs/dbraw/zinc/08/49/17/861084917.db2.gz ZKWFNZCHGNRVPH-UHFFFAOYSA-N 0 0 421.447 4.216 20 5 HIBDRN COc1cc(C)c(CN(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1OC ZINC000435827390 861092193 /nfs/dbraw/zinc/09/21/93/861092193.db2.gz OXHLPDWQUOYXPB-UHFFFAOYSA-N 0 0 416.477 4.279 20 5 HIBDRN CCOC(=O)c1cc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000467793768 881616508 /nfs/dbraw/zinc/61/65/08/881616508.db2.gz WZMGTCCSCLUCMS-UHFFFAOYSA-N 0 0 400.275 4.093 20 5 HIBDRN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000467792005 881616630 /nfs/dbraw/zinc/61/66/30/881616630.db2.gz ZACCDOGMXAAHCN-ZDUSSCGKSA-N 0 0 417.874 4.350 20 5 HIBDRN CN(c1ccc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000435907802 861167519 /nfs/dbraw/zinc/16/75/19/861167519.db2.gz RCIHLIUSCNKRJY-UHFFFAOYSA-N 0 0 400.787 4.154 20 5 HIBDRN COc1cccc(C(=O)NCC(C)(C)c2ccccc2Br)c1[N+](=O)[O-] ZINC000435913181 861174371 /nfs/dbraw/zinc/17/43/71/861174371.db2.gz HISSOLDOJCUPIO-UHFFFAOYSA-N 0 0 407.264 4.074 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c1C ZINC000467796281 881620956 /nfs/dbraw/zinc/62/09/56/881620956.db2.gz PZOVMQHBFFOVJU-INIZCTEOSA-N 0 0 411.483 4.313 20 5 HIBDRN CCOC(=O)c1cc(NCc2cccc(NC(=O)c3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000467797750 881621641 /nfs/dbraw/zinc/62/16/41/881621641.db2.gz IERICSRTKVMCBL-UHFFFAOYSA-N 0 0 420.425 4.031 20 5 HIBDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437769798 863089764 /nfs/dbraw/zinc/08/97/64/863089764.db2.gz DZMCGEKCDBZIJK-UHFFFAOYSA-N 0 0 422.485 4.336 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000437792943 863111968 /nfs/dbraw/zinc/11/19/68/863111968.db2.gz ARQNQFZEOZJBJN-SWLSCSKDSA-N 0 0 413.783 4.063 20 5 HIBDRN COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000437821576 863163706 /nfs/dbraw/zinc/16/37/06/863163706.db2.gz NGXCAVYXCYAIAA-GFCCVEGCSA-N 0 0 409.389 4.300 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000437839721 863194096 /nfs/dbraw/zinc/19/40/96/863194096.db2.gz MPXIEGPNFPSFON-MQMHXKEQSA-N 0 0 411.355 4.498 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437920626 863296994 /nfs/dbraw/zinc/29/69/94/863296994.db2.gz NRZOGGDDKITGAK-UHFFFAOYSA-N 0 0 423.448 4.102 20 5 HIBDRN O=C(NCc1ccc(OC2CCCC2)nc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437923970 863299185 /nfs/dbraw/zinc/29/91/85/863299185.db2.gz AYVFOLFJKZYMAU-UHFFFAOYSA-N 0 0 410.474 4.185 20 5 HIBDRN Cc1ccc(OC(F)F)c(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000437986556 863351523 /nfs/dbraw/zinc/35/15/23/863351523.db2.gz MGCADFWVZDMFLK-UHFFFAOYSA-N 0 0 405.401 4.379 20 5 HIBDRN Cc1ccc(-c2nc(CCNC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)co2)cc1 ZINC000438015523 863374784 /nfs/dbraw/zinc/37/47/84/863374784.db2.gz TZOWQMAOPDQNSQ-UHFFFAOYSA-N 0 0 420.469 4.475 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(CC2CCC2)c2ccccc2)cc1OC ZINC000438035330 863396360 /nfs/dbraw/zinc/39/63/60/863396360.db2.gz NQGHOGDABPYFAO-UHFFFAOYSA-N 0 0 414.458 4.076 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2c(F)ccc(F)c2C1 ZINC000438142992 863562403 /nfs/dbraw/zinc/56/24/03/863562403.db2.gz INFFBHUXUBVMNC-UHFFFAOYSA-N 0 0 401.394 4.195 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000438150742 863571527 /nfs/dbraw/zinc/57/15/27/863571527.db2.gz WUQBGHZIGBHRHJ-RLFDGXBXSA-N 0 0 405.248 4.040 20 5 HIBDRN CC1(C)CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC[C@H]1O ZINC000438473161 863891946 /nfs/dbraw/zinc/89/19/46/863891946.db2.gz CJDKSWRGJPYPEW-LJQANCHMSA-N 0 0 417.893 4.093 20 5 HIBDRN COc1ccc(-c2nc(CN3CCc4ccc([N+](=O)[O-])cc4C3)cs2)cc1OC ZINC000438515364 863940051 /nfs/dbraw/zinc/94/00/51/863940051.db2.gz UHALQOZZCDEVCT-UHFFFAOYSA-N 0 0 411.483 4.294 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000438520661 863946939 /nfs/dbraw/zinc/94/69/39/863946939.db2.gz XCFSQJDDFDUXRS-JSGCOSHPSA-N 0 0 420.453 4.322 20 5 HIBDRN O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000438526868 863952287 /nfs/dbraw/zinc/95/22/87/863952287.db2.gz AMUFBSOLRISVCU-UHFFFAOYSA-N 0 0 413.783 4.264 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccsc1Cl ZINC000438572489 864005025 /nfs/dbraw/zinc/00/50/25/864005025.db2.gz RFIYMTVGTHYSJA-ZDUSSCGKSA-N 0 0 416.286 4.356 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438636906 864070238 /nfs/dbraw/zinc/07/02/38/864070238.db2.gz QIPRVDQXHMOAJG-MRXNPFEDSA-N 0 0 405.248 4.262 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000438658319 864104808 /nfs/dbraw/zinc/10/48/08/864104808.db2.gz ZPUUYYHRZQZVNC-UHFFFAOYSA-N 0 0 418.453 4.033 20 5 HIBDRN Cc1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c2cccnc2c1C ZINC000438664485 864115714 /nfs/dbraw/zinc/11/57/14/864115714.db2.gz IPRWNSMWVHILFZ-UHFFFAOYSA-N 0 0 420.469 4.136 20 5 HIBDRN Cc1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1OC(C)C ZINC000438663878 864116903 /nfs/dbraw/zinc/11/69/03/864116903.db2.gz FQOGCPFNFYHMDT-UHFFFAOYSA-N 0 0 413.474 4.066 20 5 HIBDRN CC(C)(NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 ZINC000438665978 864119095 /nfs/dbraw/zinc/11/90/95/864119095.db2.gz GGVVRKJRTHSSGC-UHFFFAOYSA-N 0 0 417.263 4.432 20 5 HIBDRN O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000438686110 864153050 /nfs/dbraw/zinc/15/30/50/864153050.db2.gz BYAUEZSITHOTDV-HOCLYGCPSA-N 0 0 403.276 4.499 20 5 HIBDRN CN(Cc1nc(-c2cccc(OCc3cccnc3)c2)no1)c1ccccc1[N+](=O)[O-] ZINC000438757319 864250693 /nfs/dbraw/zinc/25/06/93/864250693.db2.gz WUJVNBYGXAYZFW-UHFFFAOYSA-N 0 0 417.425 4.255 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cc(Br)ccn3)cc2[N+](=O)[O-])C1 ZINC000438813361 864305993 /nfs/dbraw/zinc/30/59/93/864305993.db2.gz SIOCXLVGFZRQQB-GFCCVEGCSA-N 0 0 419.279 4.241 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2ncn(C[C@@H](O)Cn3c4ccccc4c4ccccc43)n2)c1 ZINC000438819230 864311763 /nfs/dbraw/zinc/31/17/63/864311763.db2.gz LIAIRFWETYJFLR-GOSISDBHSA-N 0 0 413.437 4.022 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000438900194 864381357 /nfs/dbraw/zinc/38/13/57/864381357.db2.gz LIZRJSPMUVTTEJ-UHFFFAOYSA-N 0 0 403.438 4.014 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000438910173 864388749 /nfs/dbraw/zinc/38/87/49/864388749.db2.gz LPEGYQWCQSNTMH-UHFFFAOYSA-N 0 0 410.474 4.492 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc2ccoc2c1 ZINC000467898453 881759400 /nfs/dbraw/zinc/75/94/00/881759400.db2.gz BPUXLRRSSXUDQR-SFHVURJKSA-N 0 0 415.833 4.388 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000438939541 864414607 /nfs/dbraw/zinc/41/46/07/864414607.db2.gz SMQXNLKLKKISBX-UHFFFAOYSA-N 0 0 408.376 4.175 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1-c1nnnn1C(C)C ZINC000438939337 864414685 /nfs/dbraw/zinc/41/46/85/864414685.db2.gz YCOWZMLTUDAYCN-UHFFFAOYSA-N 0 0 400.826 4.043 20 5 HIBDRN CC(C)c1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000438955193 864425017 /nfs/dbraw/zinc/42/50/17/864425017.db2.gz FBLFPZARVORJEH-UHFFFAOYSA-N 0 0 410.474 4.145 20 5 HIBDRN CCOCCCNC(=O)c1cccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000438961171 864430082 /nfs/dbraw/zinc/43/00/82/864430082.db2.gz AEJFFSGLJIBEBX-UHFFFAOYSA-N 0 0 413.474 4.127 20 5 HIBDRN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c(OCc2ccccc2)c1 ZINC000439031631 864486991 /nfs/dbraw/zinc/48/69/91/864486991.db2.gz BYWFCCDASCLGTQ-UHFFFAOYSA-N 0 0 408.410 4.443 20 5 HIBDRN Cc1c(CC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000439064598 864515130 /nfs/dbraw/zinc/51/51/30/864515130.db2.gz MRGPGFXONHDKOO-UHFFFAOYSA-N 0 0 410.449 4.066 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CCC[C@H]([C@@H]4CCOC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000439067720 864519361 /nfs/dbraw/zinc/51/93/61/864519361.db2.gz GMILSNZTYYABSO-RBUKOAKNSA-N 0 0 409.486 4.408 20 5 HIBDRN Cc1c(CC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)cccc1[N+](=O)[O-] ZINC000439087604 864534422 /nfs/dbraw/zinc/53/44/22/864534422.db2.gz OKWQXUPYOUUDAK-UHFFFAOYSA-N 0 0 400.438 4.305 20 5 HIBDRN Cc1noc(COc2ccc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000439108174 864546229 /nfs/dbraw/zinc/54/62/29/864546229.db2.gz CIRDLUMWYHERBN-UHFFFAOYSA-N 0 0 402.794 4.079 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCN(c3cncc4ccccc43)CC2)cc1OC(F)F ZINC000439128655 864563178 /nfs/dbraw/zinc/56/31/78/864563178.db2.gz HUDHSMCIHHBNRL-UHFFFAOYSA-N 0 0 400.385 4.071 20 5 HIBDRN CCOC(=O)c1ccnc(N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c1[N+](=O)[O-] ZINC000439134732 864568037 /nfs/dbraw/zinc/56/80/37/864568037.db2.gz WAXABGKZLJDJIB-GOSISDBHSA-N 0 0 421.457 4.288 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000439139616 864572558 /nfs/dbraw/zinc/57/25/58/864572558.db2.gz MXMLVIDJXZFFFE-UHFFFAOYSA-N 0 0 405.819 4.190 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000439150017 864582060 /nfs/dbraw/zinc/58/20/60/864582060.db2.gz BTVZYBRSKSALRU-SFHVURJKSA-N 0 0 402.878 4.421 20 5 HIBDRN COc1cc(OC)cc(OCCCN(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000439161542 864592691 /nfs/dbraw/zinc/59/26/91/864592691.db2.gz BQWCBGZCHNPMAY-UHFFFAOYSA-N 0 0 422.865 4.115 20 5 HIBDRN CCN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1cccnc1C ZINC000439224886 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CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000468063812 881882775 /nfs/dbraw/zinc/88/27/75/881882775.db2.gz HGMXJWFVYYYVNE-UHFFFAOYSA-N 0 0 402.428 4.166 20 5 HIBDRN CCOC(=O)[C@]1(CCOc2ccc([N+](=O)[O-])cc2Cc2ccccc2)CCCC1=O ZINC000468088182 881895985 /nfs/dbraw/zinc/89/59/85/881895985.db2.gz MJJXPIJHRYLLNS-QHCPKHFHSA-N 0 0 411.454 4.257 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1 ZINC000468084251 881893957 /nfs/dbraw/zinc/89/39/57/881893957.db2.gz DAEGOTRWLROLIJ-INIZCTEOSA-N 0 0 418.515 4.374 20 5 HIBDRN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)c12 ZINC000440408363 865703123 /nfs/dbraw/zinc/70/31/23/865703123.db2.gz WQBARCZNSVDTSZ-UHFFFAOYSA-N 0 0 403.398 4.371 20 5 HIBDRN COCCN(Cc1cccnc1)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440479046 865784046 /nfs/dbraw/zinc/78/40/46/865784046.db2.gz FDDDSPWJHKYFTR-UHFFFAOYSA-N 0 0 423.494 4.430 20 5 HIBDRN Cn1cnc2cc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc21 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401.410 4.458 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCS[C@@H]2COCC[C@H]21 ZINC000441065551 866149862 /nfs/dbraw/zinc/14/98/62/866149862.db2.gz KQGKFTVCSIRSCP-DNVCBOLYSA-N 0 0 416.524 4.093 20 5 HIBDRN NC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000441066598 866152196 /nfs/dbraw/zinc/15/21/96/866152196.db2.gz PYYLQJVYWNERCU-UHFFFAOYSA-N 0 0 411.414 4.236 20 5 HIBDRN COC(=O)c1cncc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 ZINC000441072391 866163062 /nfs/dbraw/zinc/16/30/62/866163062.db2.gz YRDPPBMBRLFRRP-UHFFFAOYSA-N 0 0 409.423 4.180 20 5 HIBDRN Cc1c(NC(=O)N(C[C@@H](C)O)[C@@H](C)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000441223361 866301611 /nfs/dbraw/zinc/30/16/11/866301611.db2.gz CYTBNSBGUKBWRZ-UONOGXRCSA-N 0 0 405.882 4.403 20 5 HIBDRN O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)N(Cc1ccccc1)CC(F)(F)F ZINC000441230757 866306520 /nfs/dbraw/zinc/30/65/20/866306520.db2.gz JXDSLISYBUKSHU-UHFFFAOYSA-N 0 0 421.419 4.150 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441234715 866311996 /nfs/dbraw/zinc/31/19/96/866311996.db2.gz RAKLGZBPIDUPMN-ZIAGYGMSSA-N 0 0 421.881 4.103 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000441298727 866371690 /nfs/dbraw/zinc/37/16/90/866371690.db2.gz BSPKWTZLWWRFOC-UHFFFAOYSA-N 0 0 402.197 4.350 20 5 HIBDRN Cc1ccc2c(n1)OCCN2C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441302009 866373384 /nfs/dbraw/zinc/37/33/84/866373384.db2.gz LZACERPQEIGOAX-UHFFFAOYSA-N 0 0 407.451 4.489 20 5 HIBDRN COc1ccc2c(c1)N(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000441363142 866431530 /nfs/dbraw/zinc/43/15/30/866431530.db2.gz WUCRYYQUONFBMP-LLVKDONJSA-N 0 0 410.373 4.001 20 5 HIBDRN Cc1cncc(N(Cc2ccc(F)cc2)C(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000441406874 866481849 /nfs/dbraw/zinc/48/18/49/866481849.db2.gz RYNHWFKFXUMCOQ-UHFFFAOYSA-N 0 0 409.417 4.440 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000441414960 866490496 /nfs/dbraw/zinc/49/04/96/866490496.db2.gz VCBHTEXUCNQNJW-ZIAGYGMSSA-N 0 0 403.866 4.146 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CN[C@@H](c1ccccc1)C(F)(F)F ZINC000468134265 881981201 /nfs/dbraw/zinc/98/12/01/881981201.db2.gz WGRNAVZKOWSQDQ-IBGZPJMESA-N 0 0 409.408 4.225 20 5 HIBDRN CCCN(C(=O)c1cc(C)n(-c2c(F)cccc2F)n1)c1cccc([N+](=O)[O-])c1 ZINC000441425880 866501968 /nfs/dbraw/zinc/50/19/68/866501968.db2.gz CAMYPWATUZAMIH-UHFFFAOYSA-N 0 0 400.385 4.424 20 5 HIBDRN CCCN(C(=O)Cc1ccccc1I)c1cccc([N+](=O)[O-])c1 ZINC000441454513 866530300 /nfs/dbraw/zinc/53/03/00/866530300.db2.gz XBOSJEFHQRZXHY-UHFFFAOYSA-N 0 0 424.238 4.185 20 5 HIBDRN CC[C@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441470451 866546336 /nfs/dbraw/zinc/54/63/36/866546336.db2.gz JNIZNAVUDDPCMD-OAHLLOKOSA-N 0 0 403.866 4.057 20 5 HIBDRN COc1cc(CCO)ccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000468141794 881996625 /nfs/dbraw/zinc/99/66/25/881996625.db2.gz KATGQPHVRPRXQA-UHFFFAOYSA-N 0 0 407.426 4.134 20 5 HIBDRN COc1cccc(C(C)(C)CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000441584592 866673319 /nfs/dbraw/zinc/67/33/19/866673319.db2.gz ANIIQGWNXCMDLI-ZDUSSCGKSA-N 0 0 406.866 4.118 20 5 HIBDRN COCc1nc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(-c2ccccc2)s1 ZINC000441620701 866718231 /nfs/dbraw/zinc/71/82/31/866718231.db2.gz NMDOUFUGYXERSB-UHFFFAOYSA-N 0 0 417.874 4.448 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000442116084 867139017 /nfs/dbraw/zinc/13/90/17/867139017.db2.gz LFZYXXDITOPFTI-GOSISDBHSA-N 0 0 403.866 4.399 20 5 HIBDRN Cc1c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1CCC(C)C ZINC000442225593 867253972 /nfs/dbraw/zinc/25/39/72/867253972.db2.gz WBCPWECWJRAOSP-UHFFFAOYSA-N 0 0 415.494 4.221 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Br ZINC000468188646 882065643 /nfs/dbraw/zinc/06/56/43/882065643.db2.gz SVEKPJHWWRKSOX-UHFFFAOYSA-N 0 0 412.671 4.325 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000442371895 867358881 /nfs/dbraw/zinc/35/88/81/867358881.db2.gz CEJIEKBELVIQIT-DJCROIMJSA-N 0 0 401.850 4.009 20 5 HIBDRN CC(C)[C@H]1CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000442386828 867372722 /nfs/dbraw/zinc/37/27/22/867372722.db2.gz AKTMPRBGMANSID-CQSZACIVSA-N 0 0 405.501 4.003 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccco2)CC1 ZINC000442423890 867395169 /nfs/dbraw/zinc/39/51/69/867395169.db2.gz ZXVUNAIQRUZRIG-UHFFFAOYSA-N 0 0 423.494 4.297 20 5 HIBDRN COc1nc2ccc(NC(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])cc2s1 ZINC000468197534 882077343 /nfs/dbraw/zinc/07/73/43/882077343.db2.gz VDMQZVVZDBFFCZ-UHFFFAOYSA-N 0 0 405.457 4.196 20 5 HIBDRN Cc1cncc(N(Cc2ccc(F)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000442603641 867555479 /nfs/dbraw/zinc/55/54/79/867555479.db2.gz YLDVDUNLBZWUDB-UHFFFAOYSA-N 0 0 415.446 4.141 20 5 HIBDRN Cc1nccn1CCCCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442712338 867642815 /nfs/dbraw/zinc/64/28/15/867642815.db2.gz JESVGEJWIHJHFV-UHFFFAOYSA-N 0 0 410.499 4.461 20 5 HIBDRN O=C(N[C@H]1Cc2cccc(O)c2C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442810804 867682771 /nfs/dbraw/zinc/68/27/71/867682771.db2.gz NGYBZXQCWVKMRC-HNNXBMFYSA-N 0 0 406.463 4.349 20 5 HIBDRN C[S@@](=O)C1(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 ZINC000442946809 867758175 /nfs/dbraw/zinc/75/81/75/867758175.db2.gz SBJXUKZTNGRNSQ-HHHXNRCGSA-N 0 0 424.931 4.040 20 5 HIBDRN O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000442950631 867760073 /nfs/dbraw/zinc/76/00/73/867760073.db2.gz ZOGJBKCQLKORPN-WOJBJXKFSA-N 0 0 407.426 4.078 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000443013310 867792640 /nfs/dbraw/zinc/79/26/40/867792640.db2.gz KNTLLDWOZGMZAT-UHFFFAOYSA-N 0 0 411.355 4.284 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1cccc2ccccc21 ZINC000443180610 867863416 /nfs/dbraw/zinc/86/34/16/867863416.db2.gz KTYXYHPVPWKPBJ-UHFFFAOYSA-N 0 0 406.257 4.484 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000468235440 882129296 /nfs/dbraw/zinc/12/92/96/882129296.db2.gz SDOAGUDDXCRJLA-KRWDZBQOSA-N 0 0 409.486 4.398 20 5 HIBDRN Cc1c(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)sc2ccc(Cl)cc12 ZINC000443346995 867918278 /nfs/dbraw/zinc/91/82/78/867918278.db2.gz OATYLIWOOCOXCJ-UHFFFAOYSA-N 0 0 417.874 4.335 20 5 HIBDRN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])s2)c2c[nH]c3ccccc32)c1OC ZINC000443409551 867991962 /nfs/dbraw/zinc/99/19/62/867991962.db2.gz XIMSHCNBMNKRPI-INIZCTEOSA-N 0 0 424.482 4.794 20 5 HIBDRN O=C(NCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1)Nc1ccccc1Cl ZINC000443458701 868048967 /nfs/dbraw/zinc/04/89/67/868048967.db2.gz AWCHSBRKHDWMMU-UHFFFAOYSA-N 0 0 413.821 4.150 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccnc3ccncc32)cc1 ZINC000443636875 868217628 /nfs/dbraw/zinc/21/76/28/868217628.db2.gz DMTRXENAARDHAD-UHFFFAOYSA-N 0 0 416.393 4.013 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H](Oc4ccccc4Cl)C3)o2)cc1 ZINC000443636664 868217718 /nfs/dbraw/zinc/21/77/18/868217718.db2.gz CLFFDXFOQZEEKU-MRXNPFEDSA-N 0 0 414.849 4.342 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443642735 868228927 /nfs/dbraw/zinc/22/89/27/868228927.db2.gz PCTBQHILXOMWPC-ZIAGYGMSSA-N 0 0 412.421 4.082 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443650950 868243870 /nfs/dbraw/zinc/24/38/70/868243870.db2.gz QMYIGGRULCCCKK-KBPBESRZSA-N 0 0 412.421 4.082 20 5 HIBDRN CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443699000 868295704 /nfs/dbraw/zinc/29/57/04/868295704.db2.gz POCHRWWGMZRXJP-UHFFFAOYSA-N 0 0 403.287 4.254 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443706546 868298366 /nfs/dbraw/zinc/29/83/66/868298366.db2.gz KJKDTVLKGSWQCB-LLVKDONJSA-N 0 0 403.287 4.424 20 5 HIBDRN CC(C)[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000443789803 868332782 /nfs/dbraw/zinc/33/27/82/868332782.db2.gz LDMBWUVVFJJYSZ-QGZVFWFLSA-N 0 0 416.421 4.430 20 5 HIBDRN COCCN(C(=O)CC[C@@H]1CC[C@@H](C)O1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000443820124 868352775 /nfs/dbraw/zinc/35/27/75/868352775.db2.gz COFDVCJUFKGOGD-PBHICJAKSA-N 0 0 419.503 4.045 20 5 HIBDRN COCCN(C(=O)CC[C@H]1CC[C@@H](C)O1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000443820125 868353262 /nfs/dbraw/zinc/35/32/62/868353262.db2.gz COFDVCJUFKGOGD-RHSMWYFYSA-N 0 0 419.503 4.045 20 5 HIBDRN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443826449 868358161 /nfs/dbraw/zinc/35/81/61/868358161.db2.gz SVCROGKTVIDYPW-UHFFFAOYSA-N 0 0 402.350 4.331 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC(Cc2ccccc2Cl)C1 ZINC000443836032 868366122 /nfs/dbraw/zinc/36/61/22/868366122.db2.gz LQEWCSDDYCMSFB-UHFFFAOYSA-N 0 0 409.667 4.325 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000443837094 868368497 /nfs/dbraw/zinc/36/84/97/868368497.db2.gz CXNLLLPCFGSLEL-LJQANCHMSA-N 0 0 407.470 4.073 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000443846057 868375316 /nfs/dbraw/zinc/37/53/16/868375316.db2.gz YRTROXUHFUUMGT-HXUWFJFHSA-N 0 0 424.500 4.419 20 5 HIBDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443853606 868383787 /nfs/dbraw/zinc/38/37/87/868383787.db2.gz SPDQNFHJBMAMPW-GFCCVEGCSA-N 0 0 419.363 4.028 20 5 HIBDRN Cc1cc(Br)cc(Cl)c1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000443859314 868391614 /nfs/dbraw/zinc/39/16/14/868391614.db2.gz SBGBOQWZRAQUDS-UHFFFAOYSA-N 0 0 412.671 4.394 20 5 HIBDRN O=C(Nc1ccnn1Cc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443870338 868399801 /nfs/dbraw/zinc/39/98/01/868399801.db2.gz SZOUPDVNALBIIV-UHFFFAOYSA-N 0 0 408.311 4.250 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1c(F)cc(Br)cc1F ZINC000443879502 868412127 /nfs/dbraw/zinc/41/21/27/868412127.db2.gz OKKNYCWZZAXFMP-UHFFFAOYSA-N 0 0 401.163 4.043 20 5 HIBDRN COC(=O)CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000443910637 868447209 /nfs/dbraw/zinc/44/72/09/868447209.db2.gz ZYCUJZQOBULBEG-OAHLLOKOSA-N 0 0 410.348 4.038 20 5 HIBDRN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c2cc(F)ccc21 ZINC000443925880 868464306 /nfs/dbraw/zinc/46/43/06/868464306.db2.gz VWMMCSYHUAPPII-UHFFFAOYSA-N 0 0 420.444 4.443 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000443950171 868486371 /nfs/dbraw/zinc/48/63/71/868486371.db2.gz QIGXXQOHUOIGOV-UHFFFAOYSA-N 0 0 405.458 4.208 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000443954108 868489408 /nfs/dbraw/zinc/48/94/08/868489408.db2.gz AGGYQUCWHQYFKM-OAHLLOKOSA-N 0 0 418.444 4.276 20 5 HIBDRN O=C(Nc1cc(Cl)c(Cl)cn1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000443962299 868496692 /nfs/dbraw/zinc/49/66/92/868496692.db2.gz QYOAUTWWJURWRZ-UHFFFAOYSA-N 0 0 410.135 4.490 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)cc1SC ZINC000443970153 868500666 /nfs/dbraw/zinc/50/06/66/868500666.db2.gz ZYTBNELRTCMTJI-UHFFFAOYSA-N 0 0 418.862 4.417 20 5 HIBDRN Cc1c(Br)c(Sc2nnc(C(F)(F)F)s2)ncc1[N+](=O)[O-] ZINC000443997923 868518055 /nfs/dbraw/zinc/51/80/55/868518055.db2.gz YVBMGBYYDAZQIY-UHFFFAOYSA-N 0 0 401.189 4.082 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cn1 ZINC000444008764 868531855 /nfs/dbraw/zinc/53/18/55/868531855.db2.gz HOVBXGRELQONFL-UHFFFAOYSA-N 0 0 423.419 4.073 20 5 HIBDRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444010868 868534571 /nfs/dbraw/zinc/53/45/71/868534571.db2.gz OFZPQLBNGWPOPI-GOSISDBHSA-N 0 0 411.505 4.028 20 5 HIBDRN COc1cccc(C(=O)NCC2(c3ccc(Br)cc3)CCC2)c1[N+](=O)[O-] ZINC000444026863 868556572 /nfs/dbraw/zinc/55/65/72/868556572.db2.gz XNOGJVGXZVGBMB-UHFFFAOYSA-N 0 0 419.275 4.218 20 5 HIBDRN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444039987 868577869 /nfs/dbraw/zinc/57/78/69/868577869.db2.gz VLAQHZSDJJJITI-JLCFBVMHSA-N 0 0 410.489 4.392 20 5 HIBDRN C[C@H](COCc1ccccc1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444086718 868610061 /nfs/dbraw/zinc/61/00/61/868610061.db2.gz KIYMTIPXFJQGRC-CQSZACIVSA-N 0 0 422.431 4.295 20 5 HIBDRN CO[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(F)cc1 ZINC000444126021 868630683 /nfs/dbraw/zinc/63/06/83/868630683.db2.gz KKRPORWMYGKWQE-LJQANCHMSA-N 0 0 408.404 4.077 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCO[C@H](c2cccs2)C1 ZINC000444229734 868679133 /nfs/dbraw/zinc/67/91/33/868679133.db2.gz XHRMVIRNLXFBHT-KRWDZBQOSA-N 0 0 408.454 4.096 20 5 HIBDRN O=C(NCc1nccn1CCc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444231861 868680101 /nfs/dbraw/zinc/68/01/01/868680101.db2.gz KFUWAZMZFAOAIR-UHFFFAOYSA-N 0 0 422.488 4.051 20 5 HIBDRN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444232205 868680167 /nfs/dbraw/zinc/68/01/67/868680167.db2.gz OLSRQBSBPMCYKX-QOEFQVSFSA-N 0 0 402.400 4.028 20 5 HIBDRN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444232299 868680423 /nfs/dbraw/zinc/68/04/23/868680423.db2.gz PKJIRXPJTPBHFC-QGCDCVKKSA-N 0 0 402.400 4.028 20 5 HIBDRN O=C(NCc1ccn(C2CCCC2)n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444240001 868689104 /nfs/dbraw/zinc/68/91/04/868689104.db2.gz CXDFIMMNVFYAGK-UHFFFAOYSA-N 0 0 422.435 4.201 20 5 HIBDRN CCN(CCc1nccs1)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444241066 868689525 /nfs/dbraw/zinc/68/95/25/868689525.db2.gz QVVFKOWCQNUETB-UHFFFAOYSA-N 0 0 413.449 4.121 20 5 HIBDRN CCO[C@H](C)c1nc(CN(C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cs1 ZINC000444244922 868693618 /nfs/dbraw/zinc/69/36/18/868693618.db2.gz RZLOQLPNWFBZRS-CHWSQXEVSA-N 0 0 417.491 4.392 20 5 HIBDRN CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C12CCC2 ZINC000444245518 868694025 /nfs/dbraw/zinc/69/40/25/868694025.db2.gz XMKBGUYMXGCIRB-RBUKOAKNSA-N 0 0 408.473 4.240 20 5 HIBDRN C[C@@H](Cc1cccc(O)c1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444249768 868696554 /nfs/dbraw/zinc/69/65/54/868696554.db2.gz ONSMHAVAEPVZOA-LBPRGKRZSA-N 0 0 408.404 4.026 20 5 HIBDRN O=C(N[C@H](CCCO)c1ccccc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444252032 868699825 /nfs/dbraw/zinc/69/98/25/868699825.db2.gz WHJVNFBPGFMSMW-HXUWFJFHSA-N 0 0 422.431 4.203 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)c1[N+](=O)[O-] ZINC000444259155 868704733 /nfs/dbraw/zinc/70/47/33/868704733.db2.gz WHMHGWWTSJGWFX-KRWDZBQOSA-N 0 0 414.849 4.062 20 5 HIBDRN CCc1n[nH]c(C(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1[N+](=O)[O-] ZINC000444263900 868706466 /nfs/dbraw/zinc/70/64/66/868706466.db2.gz YAFILLWAKDNCQC-ZDUSSCGKSA-N 0 0 413.503 4.454 20 5 HIBDRN O=C(N[C@H]1CCCOc2c(F)cccc21)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444282258 868712239 /nfs/dbraw/zinc/71/22/39/868712239.db2.gz BGVAPWGFQBSDIC-FQEVSTJZSA-N 0 0 402.425 4.464 20 5 HIBDRN CCCCCn1cc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c(C)n1 ZINC000444285086 868713708 /nfs/dbraw/zinc/71/37/08/868713708.db2.gz GIWJBWZVJWTJIQ-UHFFFAOYSA-N 0 0 402.498 4.306 20 5 HIBDRN O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444293230 868721727 /nfs/dbraw/zinc/72/17/27/868721727.db2.gz UGEXNJKAOZERDZ-LJQANCHMSA-N 0 0 402.425 4.464 20 5 HIBDRN O=C(N[C@H]1CCCOc2cc(F)ccc21)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444293229 868721807 /nfs/dbraw/zinc/72/18/07/868721807.db2.gz UGEXNJKAOZERDZ-IBGZPJMESA-N 0 0 402.425 4.464 20 5 HIBDRN COCC[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(C)o1 ZINC000444296074 868725762 /nfs/dbraw/zinc/72/57/62/868725762.db2.gz ZCVNVHLQJIOFGV-GOSISDBHSA-N 0 0 408.429 4.229 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2cc(F)ccc2C1 ZINC000444297826 868728507 /nfs/dbraw/zinc/72/85/07/868728507.db2.gz KZSJJIUDYUFFGL-UHFFFAOYSA-N 0 0 408.379 4.297 20 5 HIBDRN O=C(Nc1cccc2c1OCCC2=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444302361 868735403 /nfs/dbraw/zinc/73/54/03/868735403.db2.gz JBRVSPQZDCSYIS-UHFFFAOYSA-N 0 0 420.371 4.177 20 5 HIBDRN O=C(NCc1cc(Cl)cc2c1OCC2)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444319305 868747993 /nfs/dbraw/zinc/74/79/93/868747993.db2.gz ZHPOCDJKDWIBHX-UHFFFAOYSA-N 0 0 404.853 4.200 20 5 HIBDRN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444326118 868754178 /nfs/dbraw/zinc/75/41/78/868754178.db2.gz OTONCSPFWIMJQP-HRAATJIYSA-N 0 0 416.452 4.471 20 5 HIBDRN CC(C)(C)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000444330343 868756285 /nfs/dbraw/zinc/75/62/85/868756285.db2.gz SBWTWVJSNMJGMD-KBPBESRZSA-N 0 0 409.914 4.089 20 5 HIBDRN COc1cccc(C(=O)N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000444354782 868782429 /nfs/dbraw/zinc/78/24/29/868782429.db2.gz ZATLUPOHVPKPGS-UHFFFAOYSA-N 0 0 424.284 4.263 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000468302424 882226737 /nfs/dbraw/zinc/22/67/37/882226737.db2.gz HROLCIYGQGCMKA-FDQGKXFDSA-N 0 0 418.902 4.242 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000444413741 868817558 /nfs/dbraw/zinc/81/75/58/868817558.db2.gz UIKJLQLRNLLAOI-LIRRHRJNSA-N 0 0 404.850 4.006 20 5 HIBDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000444413739 868817960 /nfs/dbraw/zinc/81/79/60/868817960.db2.gz UIKJLQLRNLLAOI-IFXJQAMLSA-N 0 0 404.850 4.006 20 5 HIBDRN C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000444535347 868872941 /nfs/dbraw/zinc/87/29/41/868872941.db2.gz UDTLZXZVXDOKJQ-NSHDSACASA-N 0 0 412.309 4.488 20 5 HIBDRN O=C(Nc1ccc(Nc2ncccn2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000444623097 868914530 /nfs/dbraw/zinc/91/45/30/868914530.db2.gz RUVSQFYCWYMDIZ-UHFFFAOYSA-N 0 0 403.320 4.400 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000444622272 868914996 /nfs/dbraw/zinc/91/49/96/868914996.db2.gz FMYGVXNJMJEZHA-UHFFFAOYSA-N 0 0 410.514 4.350 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000444631104 868920301 /nfs/dbraw/zinc/92/03/01/868920301.db2.gz KADYRIJIDWQRNI-UHFFFAOYSA-N 0 0 418.438 4.006 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1c2ccccc2Oc2ccccc21 ZINC000444633630 868921508 /nfs/dbraw/zinc/92/15/08/868921508.db2.gz UQZVZXBFMATOJJ-UHFFFAOYSA-N 0 0 400.394 4.025 20 5 HIBDRN O=C(CCCSc1ccc(Cl)cc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444633893 868921612 /nfs/dbraw/zinc/92/16/12/868921612.db2.gz FMPMWCJFOMFJGQ-UHFFFAOYSA-N 0 0 404.879 4.313 20 5 HIBDRN C[C@H](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1C(F)(F)F ZINC000444633467 868921772 /nfs/dbraw/zinc/92/17/72/868921772.db2.gz TWCQJCMSMGBAFT-LLVKDONJSA-N 0 0 406.364 4.300 20 5 HIBDRN CC(C)(CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(Cl)cc1 ZINC000444638592 868925269 /nfs/dbraw/zinc/92/52/69/868925269.db2.gz WIHFRFLMEGIGHG-UHFFFAOYSA-N 0 0 400.866 4.400 20 5 HIBDRN Cc1cc(Br)cc(Cl)c1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642693 868926853 /nfs/dbraw/zinc/92/68/53/868926853.db2.gz JDEVFCZWDGZOPP-UHFFFAOYSA-N 0 0 423.654 4.125 20 5 HIBDRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642804 868927631 /nfs/dbraw/zinc/92/76/31/868927631.db2.gz UQCRNJACPKGWEP-JTQLQIEISA-N 0 0 407.257 4.273 20 5 HIBDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000444699761 868964224 /nfs/dbraw/zinc/96/42/24/868964224.db2.gz DYYQYDYVENNZFO-SCLBCKFNSA-N 0 0 414.849 4.260 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000444721748 868976382 /nfs/dbraw/zinc/97/63/82/868976382.db2.gz GBJUKGYHBBRNJU-ACJLOTCBSA-N 0 0 414.849 4.260 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000444729238 868979994 /nfs/dbraw/zinc/97/99/94/868979994.db2.gz FMPHVQCKCFNZGF-AWEZNQCLSA-N 0 0 422.407 4.481 20 5 HIBDRN Cc1ccccc1[C@H](CC(F)(F)F)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444776149 868998504 /nfs/dbraw/zinc/99/85/04/868998504.db2.gz BDAZRVNKWRDENM-KRWDZBQOSA-N 0 0 407.392 4.076 20 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882259643 /nfs/dbraw/zinc/25/96/43/882259643.db2.gz OIWVFEPRZWJCBK-WBMJQRKESA-N 0 0 406.891 4.242 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000444902309 869090032 /nfs/dbraw/zinc/09/00/32/869090032.db2.gz WKKGPPWAEXTDBW-UHFFFAOYSA-N 0 0 420.425 4.177 20 5 HIBDRN COc1ccc(NC(=O)N2CCn3c(cc4c3cccc4Cl)C2)cc1[N+](=O)[O-] ZINC000444932616 869114051 /nfs/dbraw/zinc/11/40/51/869114051.db2.gz VZHJKRYIKXIWKS-UHFFFAOYSA-N 0 0 400.822 4.259 20 5 HIBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444964027 869130991 /nfs/dbraw/zinc/13/09/91/869130991.db2.gz HODRMSVPELBHQG-UHFFFAOYSA-N 0 0 408.461 4.344 20 5 HIBDRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n1 ZINC000444967378 869132359 /nfs/dbraw/zinc/13/23/59/869132359.db2.gz PXGGYOARWUNSQJ-ZDUSSCGKSA-N 0 0 422.510 4.151 20 5 HIBDRN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444989687 869146839 /nfs/dbraw/zinc/14/68/39/869146839.db2.gz HKALQDJQJPKUFR-KRWDZBQOSA-N 0 0 400.434 4.101 20 5 HIBDRN CO[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccc(Cl)cc1 ZINC000444998734 869153995 /nfs/dbraw/zinc/15/39/95/869153995.db2.gz JBBUYENZABLMQM-HXUWFJFHSA-N 0 0 406.869 4.452 20 5 HIBDRN C[C@]1(O)CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC000468339198 882273494 /nfs/dbraw/zinc/27/34/94/882273494.db2.gz QOSQPKBUCLCDPI-IBGZPJMESA-N 0 0 406.891 4.386 20 5 HIBDRN CC(C)(C)Oc1ccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cn1 ZINC000445153419 869245401 /nfs/dbraw/zinc/24/54/01/869245401.db2.gz UMKILFQHOAPYJT-UHFFFAOYSA-N 0 0 401.466 4.184 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000445164245 869251644 /nfs/dbraw/zinc/25/16/44/869251644.db2.gz KMMUVGSBZAHFFB-UHFFFAOYSA-N 0 0 409.364 4.441 20 5 HIBDRN C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000445169363 869256062 /nfs/dbraw/zinc/25/60/62/869256062.db2.gz XNKQLLBTPJJVLE-VXGBXAGGSA-N 0 0 405.501 4.051 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000445175371 869259413 /nfs/dbraw/zinc/25/94/13/869259413.db2.gz CDFJDWVKGBPBHN-OAHLLOKOSA-N 0 0 413.477 4.462 20 5 HIBDRN O=C(N[C@H]1CCCOc2ccc(F)cc21)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445176962 869261067 /nfs/dbraw/zinc/26/10/67/869261067.db2.gz VWHAWFJSYUTIPO-FQEVSTJZSA-N 0 0 402.425 4.464 20 5 HIBDRN CCC[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1F ZINC000445215639 869280577 /nfs/dbraw/zinc/28/05/77/869280577.db2.gz RASIMRFFNZXRIC-OAHLLOKOSA-N 0 0 403.389 4.090 20 5 HIBDRN CSc1ccc(-c2nc(CC(=O)Nc3cccc4ncccc43)no2)cc1[N+](=O)[O-] ZINC000445283821 869334319 /nfs/dbraw/zinc/33/43/19/869334319.db2.gz HKSNNMRAULPZFI-UHFFFAOYSA-N 0 0 421.438 4.096 20 5 HIBDRN Cc1ccccc1NC(=O)Cc1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000445284682 869335575 /nfs/dbraw/zinc/33/55/75/869335575.db2.gz KEDVBRNSLKMDAC-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN Cc1cccc(NC(=O)Cc2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)c1 ZINC000445320035 869376840 /nfs/dbraw/zinc/37/68/40/869376840.db2.gz NOTSMLJMFXIUTE-UHFFFAOYSA-N 0 0 421.438 4.258 20 5 HIBDRN CCCCc1ccc(NC(=O)Cc2noc(Cc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000445326974 869386671 /nfs/dbraw/zinc/38/66/71/869386671.db2.gz CSSUTMXTFXTGJC-UHFFFAOYSA-N 0 0 408.458 4.401 20 5 HIBDRN CCOc1ccc(NC(=O)Cc2noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 ZINC000445333120 869395001 /nfs/dbraw/zinc/39/50/01/869395001.db2.gz SGAGJKUTJIJACZ-UHFFFAOYSA-N 0 0 424.438 4.439 20 5 HIBDRN Cc1cc(C)c(NC(=O)Cc2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)c(C)c1 ZINC000445339368 869401514 /nfs/dbraw/zinc/40/15/14/869401514.db2.gz FRVIUTRYNAUIER-UHFFFAOYSA-N 0 0 414.849 4.328 20 5 HIBDRN CCOc1ccc(-c2nc(CC(=O)Nc3ccc(F)c(Cl)c3)no2)cc1[N+](=O)[O-] ZINC000445369158 869440628 /nfs/dbraw/zinc/44/06/28/869440628.db2.gz RKMBOVFYKVKQLP-UHFFFAOYSA-N 0 0 420.784 4.017 20 5 HIBDRN O=C(Cc1noc(COc2ccccc2[N+](=O)[O-])n1)Nc1c(Cl)cccc1Cl ZINC000445373115 869449015 /nfs/dbraw/zinc/44/90/15/869449015.db2.gz QQIZVFAXUZVBNS-UHFFFAOYSA-N 0 0 423.212 4.045 20 5 HIBDRN COc1cc(-c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)cc(Br)c1O ZINC000445394722 869480434 /nfs/dbraw/zinc/48/04/34/869480434.db2.gz RQVCOZMGSGPDTL-WAYWQWQTSA-N 0 0 418.203 4.292 20 5 HIBDRN O=C(Cc1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1)Nc1ccccc1C(F)(F)F ZINC000445415131 869496835 /nfs/dbraw/zinc/49/68/35/869496835.db2.gz AKNJJCFFGGBKDJ-HJWRWDBZSA-N 0 0 418.331 4.348 20 5 HIBDRN O=C(Cc1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1C(F)(F)F ZINC000445417810 869500688 /nfs/dbraw/zinc/50/06/88/869500688.db2.gz NFFVIIMGAIMHEW-JXMROGBWSA-N 0 0 418.331 4.348 20 5 HIBDRN CC(C)CNC(=O)Cc1noc(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000445439262 869522474 /nfs/dbraw/zinc/52/24/74/869522474.db2.gz OYOSYCGVHCRQIC-UHFFFAOYSA-N 0 0 412.471 4.111 20 5 HIBDRN COc1ccc(CSCc2nc(Cc3ccc(F)c(F)c3)no2)cc1[N+](=O)[O-] ZINC000445442850 869525152 /nfs/dbraw/zinc/52/51/52/869525152.db2.gz CRFVSEXCDSXVPE-UHFFFAOYSA-N 0 0 407.398 4.289 20 5 HIBDRN COc1cc(-c2nc(-c3ccc(Br)cc3F)no2)cc([N+](=O)[O-])c1OC ZINC000445445216 869526473 /nfs/dbraw/zinc/52/64/73/869526473.db2.gz LKSNQAAXADVITJ-UHFFFAOYSA-N 0 0 424.182 4.231 20 5 HIBDRN COc1cc(OC)cc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)c1 ZINC000445461753 869537996 /nfs/dbraw/zinc/53/79/96/869537996.db2.gz IHAKVTABRNTYDL-UHFFFAOYSA-N 0 0 406.192 4.092 20 5 HIBDRN Cc1cccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc([N+](=O)[O-])s4)no3)C2)c1 ZINC000445470816 869544260 /nfs/dbraw/zinc/54/42/60/869544260.db2.gz YPBKGMXVXISJSF-ZDUSSCGKSA-N 0 0 413.459 4.426 20 5 HIBDRN COc1cc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)cc(OC)c1Br ZINC000445475599 869548779 /nfs/dbraw/zinc/54/87/79/869548779.db2.gz ZTDUXVKLEGQKAM-UHFFFAOYSA-N 0 0 412.221 4.153 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(C3CCN(c4ccc5cccc(O)c5n4)CC3)n2)s1 ZINC000445475575 869548874 /nfs/dbraw/zinc/54/88/74/869548874.db2.gz ZPHABKZMJUZSLZ-UHFFFAOYSA-N 0 0 423.454 4.344 20 5 HIBDRN Cc1ccc(NC(=O)CS[C@@H](C)c2nc(-c3ccc([N+](=O)[O-])s3)no2)cc1 ZINC000445482546 869554379 /nfs/dbraw/zinc/55/43/79/869554379.db2.gz QLDHUGVAXSUTQD-NSHDSACASA-N 0 0 404.473 4.448 20 5 HIBDRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000445482090 869554527 /nfs/dbraw/zinc/55/45/27/869554527.db2.gz OUDDUAWYSGTTHQ-SECBINFHSA-N 0 0 408.436 4.278 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(-c3ccc(S(=O)(=O)C4CCCC4)cc3)n2)s1 ZINC000445488898 869558333 /nfs/dbraw/zinc/55/83/33/869558333.db2.gz WYPHKUGJKAAUTF-UHFFFAOYSA-N 0 0 405.457 4.090 20 5 HIBDRN Cc1c2ccccc2oc1-c1noc(CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)n1 ZINC000445491108 869559643 /nfs/dbraw/zinc/55/96/43/869559643.db2.gz JRRYZUSBILTRBK-UHFFFAOYSA-N 0 0 420.381 4.240 20 5 HIBDRN COc1ccc(-c2nc(-c3nc(Cc4cc(OC)ccc4[N+](=O)[O-])no3)cs2)cc1 ZINC000445570704 869630785 /nfs/dbraw/zinc/63/07/85/869630785.db2.gz IGFFCDVHYAEEJB-UHFFFAOYSA-N 0 0 424.438 4.376 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3csc(Cc4ccccc4)n3)n2)c1 ZINC000445570632 869630965 /nfs/dbraw/zinc/63/09/65/869630965.db2.gz HHBZDWWDSZLCGV-UHFFFAOYSA-N 0 0 408.439 4.292 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3cccc(OCC(F)(F)F)c3)n2)c1 ZINC000445578123 869637588 /nfs/dbraw/zinc/63/75/88/869637588.db2.gz CHTCQJACXVAKAJ-UHFFFAOYSA-N 0 0 423.347 4.109 20 5 HIBDRN Cc1c(Br)cc(-c2nc(-c3cnc4ccccn43)no2)cc1[N+](=O)[O-] ZINC000445579822 869640121 /nfs/dbraw/zinc/64/01/21/869640121.db2.gz NFGIGIHOKNANLZ-UHFFFAOYSA-N 0 0 400.192 4.030 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000445584655 869645433 /nfs/dbraw/zinc/64/54/33/869645433.db2.gz SKDULBJGIJAJQT-UHFFFAOYSA-N 0 0 407.230 4.083 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc(-c3nc4ccccc4s3)s2)n1 ZINC000445585706 869646635 /nfs/dbraw/zinc/64/66/35/869646635.db2.gz ZDVLDTAEMSQJOG-UHFFFAOYSA-N 0 0 410.440 4.384 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)o3)no2)c(I)c1 ZINC000445591398 869653989 /nfs/dbraw/zinc/65/39/89/869653989.db2.gz KNZYYLRJMAVCLQ-UHFFFAOYSA-N 0 0 417.546 4.163 20 5 HIBDRN CCS(=O)(=O)c1ccc(-c2noc(-c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)cc1 ZINC000445595096 869659126 /nfs/dbraw/zinc/65/91/26/869659126.db2.gz ZQPSIHGAKUAHTO-UHFFFAOYSA-N 0 0 415.471 4.403 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(CCC(=O)c3ccc(-c4ccccc4)cc3)n2)n1C ZINC000445605674 869671440 /nfs/dbraw/zinc/67/14/40/869671440.db2.gz WASIDFYYOMCPMV-UHFFFAOYSA-N 0 0 417.425 4.169 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000445627696 869693287 /nfs/dbraw/zinc/69/32/87/869693287.db2.gz HJYSUYHDSXXNDF-UHFFFAOYSA-N 0 0 419.437 4.427 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCSc2ccccc21 ZINC000445651307 869721621 /nfs/dbraw/zinc/72/16/21/869721621.db2.gz RZVYHIBFHBHICJ-HNNXBMFYSA-N 0 0 407.289 4.253 20 5 HIBDRN COc1cc(OCc2nc(Cn3c4ccccc4nc3C(C)C)no2)ccc1[N+](=O)[O-] ZINC000445654388 869723689 /nfs/dbraw/zinc/72/36/89/869723689.db2.gz BQBZSNKFITWRFS-UHFFFAOYSA-N 0 0 423.429 4.087 20 5 HIBDRN CC(C)c1nc2ccccc2n1Cc1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000445664944 869733018 /nfs/dbraw/zinc/73/30/18/869733018.db2.gz NXLVLFAFDVVTMH-UHFFFAOYSA-N 0 0 406.446 4.154 20 5 HIBDRN CCOC(=O)c1cc(-c2nc(-c3ccc(Cl)cc3OC)no2)cc([N+](=O)[O-])c1 ZINC000445670392 869739384 /nfs/dbraw/zinc/73/93/84/869739384.db2.gz QFCXWGJTFUFPRW-UHFFFAOYSA-N 0 0 403.778 4.151 20 5 HIBDRN CCC(CC)c1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000445678429 869747883 /nfs/dbraw/zinc/74/78/83/869747883.db2.gz MJGXPZQNAYVWAC-UHFFFAOYSA-N 0 0 413.297 4.294 20 5 HIBDRN COc1ccc(C(C)(C)c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)cc1OC ZINC000445681088 869751471 /nfs/dbraw/zinc/75/14/71/869751471.db2.gz BRABVZTYAVQCLP-UHFFFAOYSA-N 0 0 408.414 4.469 20 5 HIBDRN O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445703524 869767901 /nfs/dbraw/zinc/76/79/01/869767901.db2.gz ZDNBOXUDORRDKL-WMZOPIPTSA-N 0 0 405.376 4.237 20 5 HIBDRN CC[C@@H](NC(=O)Cc1noc(/C=C\c2ccc(F)cc2[N+](=O)[O-])n1)c1ccccc1 ZINC000445708015 869771416 /nfs/dbraw/zinc/77/14/16/869771416.db2.gz VHQNQJYROSJEQL-FPISAVPCSA-N 0 0 410.405 4.097 20 5 HIBDRN CC[C@@H](NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1)c1ccccc1 ZINC000445709731 869772323 /nfs/dbraw/zinc/77/23/23/869772323.db2.gz OGKHMWAAEXHFJO-MRXNPFEDSA-N 0 0 400.822 4.108 20 5 HIBDRN C[C@H](c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1)c1ccc2ccccc2c1 ZINC000445725907 869783501 /nfs/dbraw/zinc/78/35/01/869783501.db2.gz RYSVQMGBXLIXSH-HNNXBMFYSA-N 0 0 416.437 4.142 20 5 HIBDRN CCOc1cc(NC(=O)CCc2cn(C)c3ccccc23)c([N+](=O)[O-])cc1OCC ZINC000445757574 869804552 /nfs/dbraw/zinc/80/45/52/869804552.db2.gz KNIWQBRALZLXKO-UHFFFAOYSA-N 0 0 411.458 4.455 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC000445772711 869815382 /nfs/dbraw/zinc/81/53/82/869815382.db2.gz ARAQFTBVBKKIAC-UHFFFAOYSA-N 0 0 421.428 4.486 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCC1(c2ccccc2Cl)CCOCC1 ZINC000445793200 869826924 /nfs/dbraw/zinc/82/69/24/869826924.db2.gz BNEYFUVEKXGKIM-UHFFFAOYSA-N 0 0 402.878 4.045 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCSC[C@H]1c1ccccc1 ZINC000445807903 869833798 /nfs/dbraw/zinc/83/37/98/869833798.db2.gz OCQHKAIEDPSJMG-KRWDZBQOSA-N 0 0 421.316 4.217 20 5 HIBDRN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000445811643 869835895 /nfs/dbraw/zinc/83/58/95/869835895.db2.gz RPBPSRIKSWATQK-IRXDYDNUSA-N 0 0 409.486 4.284 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCc1csc2ccccc12 ZINC000445813574 869836606 /nfs/dbraw/zinc/83/66/06/869836606.db2.gz KNLCWKQXPCAKIT-UHFFFAOYSA-N 0 0 419.300 4.473 20 5 HIBDRN CCC(CC)n1nc(C)cc1-c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000445819699 869842295 /nfs/dbraw/zinc/84/22/95/869842295.db2.gz RMODTNYYHZMEJP-UHFFFAOYSA-N 0 0 415.450 4.119 20 5 HIBDRN CC[C@H]1c2ccsc2CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445821349 869843810 /nfs/dbraw/zinc/84/38/10/869843810.db2.gz KTAZQFQINSUKKP-HNNXBMFYSA-N 0 0 409.305 4.497 20 5 HIBDRN COc1cc(OCc2nc(-c3ccc(C)c(N4CCCC4)c3)no2)ccc1[N+](=O)[O-] ZINC000445822498 869844694 /nfs/dbraw/zinc/84/46/94/869844694.db2.gz SNXHPLATDRXYBT-UHFFFAOYSA-N 0 0 410.430 4.141 20 5 HIBDRN COc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1OCc1ccncc1 ZINC000445837614 869853531 /nfs/dbraw/zinc/85/35/31/869853531.db2.gz MEFQJGADCHXNQQ-UHFFFAOYSA-N 0 0 407.426 4.149 20 5 HIBDRN COc1cc([C@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000445849454 869857124 /nfs/dbraw/zinc/85/71/24/869857124.db2.gz OEJSBBVZKMMIAN-INIZCTEOSA-N 0 0 400.475 4.448 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCc3ncsc3C2)c([N+](=O)[O-])c1 ZINC000445878778 869869433 /nfs/dbraw/zinc/86/94/33/869869433.db2.gz WCJICFWEXGFOJW-FQEVSTJZSA-N 0 0 408.483 4.098 20 5 HIBDRN COc1cc(CN(C)[C@H]2CCOc3ccc(Br)cc32)ccc1[N+](=O)[O-] ZINC000445879963 869869465 /nfs/dbraw/zinc/86/94/65/869869465.db2.gz JXBIRDIZKPQQTC-HNNXBMFYSA-N 0 0 407.264 4.322 20 5 HIBDRN CCOCCOc1cc(C)ccc1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000445885126 869872787 /nfs/dbraw/zinc/87/27/87/869872787.db2.gz JVAHVWZNLOKKHG-KRWDZBQOSA-N 0 0 415.490 4.187 20 5 HIBDRN C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccc(OC(F)(F)F)c1 ZINC000445889057 869874272 /nfs/dbraw/zinc/87/42/72/869874272.db2.gz YDZPITIVZYKXLM-LBPRGKRZSA-N 0 0 409.364 4.322 20 5 HIBDRN CCS[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445931656 869894402 /nfs/dbraw/zinc/89/44/02/869894402.db2.gz FRMWNWHNMSRLMD-HUUCEWRRSA-N 0 0 401.326 4.080 20 5 HIBDRN Cc1ccc2c(c1)N(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C[C@@H](C)O2 ZINC000445968219 869938027 /nfs/dbraw/zinc/93/80/27/869938027.db2.gz AEWREHCKAUUCIU-GFCCVEGCSA-N 0 0 405.248 4.022 20 5 HIBDRN CCOc1ccc(Oc2cc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)ccn2)cc1 ZINC000445985255 869948749 /nfs/dbraw/zinc/94/87/49/869948749.db2.gz IWHJVBKHLPBVDO-UHFFFAOYSA-N 0 0 421.453 4.430 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000446027702 869993915 /nfs/dbraw/zinc/99/39/15/869993915.db2.gz GFBRUQQIEZSWKE-MRXNPFEDSA-N 0 0 401.894 4.086 20 5 HIBDRN C[C@H]1CN(C)c2ccccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446031525 869995776 /nfs/dbraw/zinc/99/57/76/869995776.db2.gz NAVOHJYWSPOJQU-ZDUSSCGKSA-N 0 0 418.291 4.019 20 5 HIBDRN COc1ccc(Sc2nsc(NC(=O)CCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000446109218 870056845 /nfs/dbraw/zinc/05/68/45/870056845.db2.gz QTQXARRDSORODJ-UHFFFAOYSA-N 0 0 416.484 4.177 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000446203506 870135826 /nfs/dbraw/zinc/13/58/26/870135826.db2.gz YQQQBZFMXVQWTF-CMPLNLGQSA-N 0 0 423.229 4.385 20 5 HIBDRN CCOC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000446249492 870191897 /nfs/dbraw/zinc/19/18/97/870191897.db2.gz RRSCRAOGDAKRDS-INIZCTEOSA-N 0 0 422.359 4.311 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)cc1[N+](=O)[O-] ZINC000446413493 870320773 /nfs/dbraw/zinc/32/07/73/870320773.db2.gz PLFPTBPKSZXPJP-GFCCVEGCSA-N 0 0 415.400 4.465 20 5 HIBDRN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446424772 870338986 /nfs/dbraw/zinc/33/89/86/870338986.db2.gz NLYHWCJPBXIMSJ-UHFFFAOYSA-N 0 0 413.886 4.499 20 5 HIBDRN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000446426127 870340978 /nfs/dbraw/zinc/34/09/78/870340978.db2.gz XPSZJRSQWZQSLZ-IRXDYDNUSA-N 0 0 412.442 4.092 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N1CCc3ccc([N+](=O)[O-])cc3C1)O[C@@H](C)C2 ZINC000446426454 870341581 /nfs/dbraw/zinc/34/15/81/870341581.db2.gz QHKINWZIVZBDKW-ONTRVFCTSA-N 0 0 422.481 4.005 20 5 HIBDRN Cc1nn(C)c2ncc(C(=O)Nc3ccc(OCc4ccccc4)cc3[N+](=O)[O-])cc12 ZINC000446428272 870345735 /nfs/dbraw/zinc/34/57/35/870345735.db2.gz RBNCLVKFCOILAK-UHFFFAOYSA-N 0 0 417.425 4.016 20 5 HIBDRN Cc1cc(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1Br ZINC000446433828 870351939 /nfs/dbraw/zinc/35/19/39/870351939.db2.gz DXMYURMREFVWEL-UHFFFAOYSA-N 0 0 403.276 4.183 20 5 HIBDRN CCCOc1ccc(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OCCC ZINC000446475857 870390685 /nfs/dbraw/zinc/39/06/85/870390685.db2.gz NCOPIHSIOIMLRK-UHFFFAOYSA-N 0 0 415.446 4.058 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000446488667 870402747 /nfs/dbraw/zinc/40/27/47/870402747.db2.gz PJABJIAETJQMKR-QGZVFWFLSA-N 0 0 407.373 4.110 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@](C)(c4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000446551791 870464886 /nfs/dbraw/zinc/46/48/86/870464886.db2.gz RBHUQDXMZUPFCY-DEOSSOPVSA-N 0 0 418.497 4.260 20 5 HIBDRN C[C@@]1(c2ccccc2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446552495 870466883 /nfs/dbraw/zinc/46/68/83/870466883.db2.gz ZNSGREGWLBNGIQ-LJQANCHMSA-N 0 0 403.276 4.090 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000446611263 870514202 /nfs/dbraw/zinc/51/42/02/870514202.db2.gz NZRYLHSYVOVDJN-SOUVJXGZSA-N 0 0 400.431 4.034 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000446624194 870527167 /nfs/dbraw/zinc/52/71/67/870527167.db2.gz MLTCWSVWEVKYKY-FQEVSTJZSA-N 0 0 417.465 4.091 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000446641463 870552152 /nfs/dbraw/zinc/55/21/52/870552152.db2.gz FNDDTLUZBXXNFU-OAQYLSRUSA-N 0 0 410.401 4.271 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)cc([N+](=O)[O-])c1OC ZINC000446642696 870554898 /nfs/dbraw/zinc/55/48/98/870554898.db2.gz QEJYYYHQFYWDIW-FQEVSTJZSA-N 0 0 410.401 4.271 20 5 HIBDRN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000446739577 870647484 /nfs/dbraw/zinc/64/74/84/870647484.db2.gz WCKLKDIQQYBRQB-UHFFFAOYSA-N 0 0 417.425 4.167 20 5 HIBDRN Cc1ccc(CNCc2ccc(Cl)cc2I)cc1[N+](=O)[O-] ZINC000446836647 870755113 /nfs/dbraw/zinc/75/51/13/870755113.db2.gz RXRMNVQOWIHTRA-UHFFFAOYSA-N 0 0 416.646 4.451 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000446878869 870799200 /nfs/dbraw/zinc/79/92/00/870799200.db2.gz FZEDCBGCJUGHKD-MRXNPFEDSA-N 0 0 418.444 4.072 20 5 HIBDRN Cc1ccc(-n2ccnc2SCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000446891379 870809750 /nfs/dbraw/zinc/80/97/50/870809750.db2.gz XSTRSMCEVBUIBR-UHFFFAOYSA-N 0 0 422.510 4.074 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000446892016 870811234 /nfs/dbraw/zinc/81/12/34/870811234.db2.gz GLDGQXUEMFEBQC-QGZVFWFLSA-N 0 0 407.474 4.168 20 5 HIBDRN C[C@]1(CCc2ccccc2)CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446895679 870814150 /nfs/dbraw/zinc/81/41/50/870814150.db2.gz ZICIQIPHYNAOST-QFIPXVFZSA-N 0 0 407.474 4.026 20 5 HIBDRN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446894935 870814421 /nfs/dbraw/zinc/81/44/21/870814421.db2.gz TUAKIDGHIQLFNX-BTYIYWSLSA-N 0 0 407.474 4.462 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000446901995 870820156 /nfs/dbraw/zinc/82/01/56/870820156.db2.gz HGNZVRSVRRHSEU-HXUWFJFHSA-N 0 0 418.457 4.389 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC1(c2ccc(F)cc2F)CCCC1 ZINC000446904760 870823070 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MYRZXQHEVRIFSJ-UHFFFAOYSA-N 0 0 414.405 4.275 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(CC2CC2)C2CCCCC2)c(C(F)(F)F)c1 ZINC000447032130 870907142 /nfs/dbraw/zinc/90/71/42/870907142.db2.gz VJQKTSHUOYQMNK-UHFFFAOYSA-N 0 0 406.426 4.347 20 5 HIBDRN CC[C@@H](Cc1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447037699 870914067 /nfs/dbraw/zinc/91/40/67/870914067.db2.gz IXSGIALYZUOLLB-AWEZNQCLSA-N 0 0 416.421 4.255 20 5 HIBDRN Cc1nc(-c2ccc(C)c(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)c2)n[nH]1 ZINC000447051897 870931386 /nfs/dbraw/zinc/93/13/86/870931386.db2.gz YUNKAKCCJJNKFK-UHFFFAOYSA-N 0 0 408.462 4.439 20 5 HIBDRN O=[N+]([O-])c1cn(Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cn1 ZINC000447292973 871190354 /nfs/dbraw/zinc/19/03/54/871190354.db2.gz SSPOJLDZFUHDNO-UHFFFAOYSA-N 0 0 424.258 4.455 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000447318098 871209886 /nfs/dbraw/zinc/20/98/86/871209886.db2.gz QEMQBWUKIPZIOV-ZDUSSCGKSA-N 0 0 418.247 4.039 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Cl)c(Br)c1 ZINC000447341360 871238306 /nfs/dbraw/zinc/23/83/06/871238306.db2.gz FCOQQSCBBDNFMY-UHFFFAOYSA-N 0 0 414.643 4.070 20 5 HIBDRN Cc1cc(C)cc(CSCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC000447350896 871254962 /nfs/dbraw/zinc/25/49/62/871254962.db2.gz VCLGVORNPNUHFK-UHFFFAOYSA-N 0 0 402.472 4.245 20 5 HIBDRN O=C(CSc1ccc(Br)cc1[N+](=O)[O-])NCc1cc(F)cc(F)c1 ZINC000447360328 871264255 /nfs/dbraw/zinc/26/42/55/871264255.db2.gz UOQRXBPHGLGWPB-UHFFFAOYSA-N 0 0 417.231 4.044 20 5 HIBDRN O=C(N[C@@H]1CCc2c1cccc2Br)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447379122 871283958 /nfs/dbraw/zinc/28/39/58/871283958.db2.gz BIEGZIMBSFAHBC-GOSISDBHSA-N 0 0 416.275 4.113 20 5 HIBDRN Cc1ccn(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC2)n1 ZINC000447618610 871526076 /nfs/dbraw/zinc/52/60/76/871526076.db2.gz ILPACNRYHYARDN-UHFFFAOYSA-N 0 0 406.442 4.369 20 5 HIBDRN COc1cc(C(=O)N(C)CCCCCO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447649459 871573116 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4.273 20 5 HIBDRN COCCOc1ccccc1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447691434 871626184 /nfs/dbraw/zinc/62/61/84/871626184.db2.gz RJUINOKJTZKHCM-UHFFFAOYSA-N 0 0 421.322 4.281 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c1[N+](=O)[O-] ZINC000447695300 871634216 /nfs/dbraw/zinc/63/42/16/871634216.db2.gz WGJZDPYJZLXMDH-UHFFFAOYSA-N 0 0 423.216 4.022 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000447735926 871686878 /nfs/dbraw/zinc/68/68/78/871686878.db2.gz IDGREQMAHQOANG-CQSZACIVSA-N 0 0 418.291 4.004 20 5 HIBDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000447860544 871780528 /nfs/dbraw/zinc/78/05/28/871780528.db2.gz HPVBWZNNQMWJFT-UHFFFAOYSA-N 0 0 423.473 4.487 20 5 HIBDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000447863146 871785119 /nfs/dbraw/zinc/78/51/19/871785119.db2.gz XPDFYFXLLMDEKA-UHFFFAOYSA-N 0 0 409.446 4.485 20 5 HIBDRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000447867639 871791723 /nfs/dbraw/zinc/79/17/23/871791723.db2.gz XRUBSNGMIXCQKV-IRXDYDNUSA-N 0 0 410.451 4.328 20 5 HIBDRN CCc1c(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cnn1-c1cccc(C)c1 ZINC000447889975 871802959 /nfs/dbraw/zinc/80/29/59/871802959.db2.gz ULUCBLCHUCMJGD-UHFFFAOYSA-N 0 0 404.430 4.313 20 5 HIBDRN CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000447990152 871839491 /nfs/dbraw/zinc/83/94/91/871839491.db2.gz QTYIKXVEOMVIBW-MRXNPFEDSA-N 0 0 421.501 4.466 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448026748 871866335 /nfs/dbraw/zinc/86/63/35/871866335.db2.gz JQHUCOOIOQMGGX-VLIAUNLRSA-N 0 0 416.909 4.478 20 5 HIBDRN Cc1cc(C[C@H](C)Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000448061786 871888350 /nfs/dbraw/zinc/88/83/50/871888350.db2.gz YCFHAOJLYCQSEB-HNNXBMFYSA-N 0 0 419.485 4.024 20 5 HIBDRN COc1ccccc1N(C(C)=O)c1nc(CSc2ccc([N+](=O)[O-])cn2)cs1 ZINC000448104000 871952053 /nfs/dbraw/zinc/95/20/53/871952053.db2.gz ZLGMKVYRVMTEMW-UHFFFAOYSA-N 0 0 416.484 4.432 20 5 HIBDRN COc1ccc2cc(CN(C)C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cn3)ccc2c1 ZINC000448107527 871955221 /nfs/dbraw/zinc/95/52/21/871955221.db2.gz KWNYBWSKPHMNFY-CQSZACIVSA-N 0 0 411.483 4.291 20 5 HIBDRN C[C@H](c1nccs1)N1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000468536953 882566848 /nfs/dbraw/zinc/56/68/48/882566848.db2.gz OJZQNYBCIUIRLS-CQSZACIVSA-N 0 0 415.544 4.054 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)COC(C)(C)C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000448128077 872001885 /nfs/dbraw/zinc/00/18/85/872001885.db2.gz LISDRLAKQHUNAV-UHFFFAOYSA-N 0 0 403.382 4.323 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccccc1 ZINC000448133260 872007773 /nfs/dbraw/zinc/00/77/73/872007773.db2.gz ATBQAIKJNHOILZ-CQSZACIVSA-N 0 0 402.472 4.083 20 5 HIBDRN Cc1c(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cccc1C(=O)N1CCCC1 ZINC000448199656 872087284 /nfs/dbraw/zinc/08/72/84/872087284.db2.gz MUCRQOXCBTTXNS-UHFFFAOYSA-N 0 0 421.375 4.410 20 5 HIBDRN CCOc1cc(NC(=O)c2ccc(-c3nnc(C)o3)cc2)c([N+](=O)[O-])cc1OCC ZINC000468546912 882589508 /nfs/dbraw/zinc/58/95/08/882589508.db2.gz GDZQPTNFEYGZKX-UHFFFAOYSA-N 0 0 412.402 4.003 20 5 HIBDRN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)CC2 ZINC000468546743 882589036 /nfs/dbraw/zinc/58/90/36/882589036.db2.gz FHOXSXUJDFEVOM-GFCCVEGCSA-N 0 0 408.380 4.072 20 5 HIBDRN CCC[C@H](CCCS(C)(=O)=O)C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000448349135 872295767 /nfs/dbraw/zinc/29/57/67/872295767.db2.gz RPPDSYZOHYRNCV-MRXNPFEDSA-N 0 0 410.536 4.112 20 5 HIBDRN C[C@@H]1OCC[C@]12CN(Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000448369801 872321171 /nfs/dbraw/zinc/32/11/71/872321171.db2.gz CAYIIHRVEJIRMQ-VVBPWWLESA-N 0 0 416.449 4.295 20 5 HIBDRN CCCCn1ncc(NC(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])c1C ZINC000448378303 872326325 /nfs/dbraw/zinc/32/63/25/872326325.db2.gz UOLCYZFBRGYESA-UHFFFAOYSA-N 0 0 405.455 4.341 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000468555583 882601405 /nfs/dbraw/zinc/60/14/05/882601405.db2.gz QREDSYZGAXCCKG-KRWDZBQOSA-N 0 0 418.291 4.382 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000448448778 872392948 /nfs/dbraw/zinc/39/29/48/872392948.db2.gz SHMUEKZOBINKTR-KRWDZBQOSA-N 0 0 421.501 4.028 20 5 HIBDRN O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000448459729 872414698 /nfs/dbraw/zinc/41/46/98/872414698.db2.gz QXAGIFYIMLKKEX-CYBMUJFWSA-N 0 0 421.144 4.372 20 5 HIBDRN CC(C)N(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cnc2ccccc2c1 ZINC000448460338 872417002 /nfs/dbraw/zinc/41/70/02/872417002.db2.gz YRSAAFJGGAZACB-UHFFFAOYSA-N 0 0 401.426 4.384 20 5 HIBDRN CC(C)(C)[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000460111203 872576745 /nfs/dbraw/zinc/57/67/45/872576745.db2.gz XFTSFDUWSIOXBR-LJQANCHMSA-N 0 0 401.438 4.425 20 5 HIBDRN Cc1cc(-c2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)ccc1[N+](=O)[O-] ZINC000460145873 872656938 /nfs/dbraw/zinc/65/69/38/872656938.db2.gz BBZUFXBNCCERPV-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4ccccc4Br)no3)n2)c1 ZINC000460146360 872657050 /nfs/dbraw/zinc/65/70/50/872657050.db2.gz ONSPQBKFXCGTNP-UHFFFAOYSA-N 0 0 412.203 4.260 20 5 HIBDRN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000460147417 872659899 /nfs/dbraw/zinc/65/98/99/872659899.db2.gz AAGZMJGKSAGKMR-JOCHJYFZSA-N 0 0 411.408 4.449 20 5 HIBDRN O=C(Cc1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000460148438 872663723 /nfs/dbraw/zinc/66/37/23/872663723.db2.gz LAKIZLYPJSBTSQ-RMKNXTFCSA-N 0 0 418.331 4.348 20 5 HIBDRN O=C(Cc1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000460153711 872683212 /nfs/dbraw/zinc/68/32/12/872683212.db2.gz ZCSBSVJIFOHKIV-FPLPWBNLSA-N 0 0 418.331 4.348 20 5 HIBDRN Cc1ccc(Br)cc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000460168952 872723604 /nfs/dbraw/zinc/72/36/04/872723604.db2.gz SENWGSIKIWRLGC-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN CCn1c(COc2ccccc2F)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000460170621 872724764 /nfs/dbraw/zinc/72/47/64/872724764.db2.gz RZKJDFHWNDFJOS-UHFFFAOYSA-N 0 0 413.453 4.339 20 5 HIBDRN CCNC(=O)N1CCc2ccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc21 ZINC000460220149 872805254 /nfs/dbraw/zinc/80/52/54/872805254.db2.gz GHWRHJPGBKPDPT-UHFFFAOYSA-N 0 0 410.474 4.237 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000460272930 872862487 /nfs/dbraw/zinc/86/24/87/872862487.db2.gz FFHFQDKJZRMTKC-CQSZACIVSA-N 0 0 422.466 4.361 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000460307352 872894879 /nfs/dbraw/zinc/89/48/79/872894879.db2.gz PUNAFEVMTQTJOZ-LJQANCHMSA-N 0 0 423.473 4.232 20 5 HIBDRN Cc1cnc([C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C2CC2)s1 ZINC000460320723 872912341 /nfs/dbraw/zinc/91/23/41/872912341.db2.gz YMTBEJJVMOVDIL-AWEZNQCLSA-N 0 0 415.393 4.182 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCN(C)c3ccc(Cl)cc32)cc1OC ZINC000460322410 872917590 /nfs/dbraw/zinc/91/75/90/872917590.db2.gz CGZJEZGESUYZPZ-UHFFFAOYSA-N 0 0 419.865 4.142 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](OC)c2ccc(Cl)cc2)cc1SC ZINC000460324508 872922709 /nfs/dbraw/zinc/92/27/09/872922709.db2.gz GBHITWKXCGMZGI-INIZCTEOSA-N 0 0 410.879 4.096 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000460324993 872923414 /nfs/dbraw/zinc/92/34/14/872923414.db2.gz CPIHAHSMNHCHGG-LSDHHAIUSA-N 0 0 413.449 4.398 20 5 HIBDRN Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)c1[N+](=O)[O-] ZINC000460334516 872941356 /nfs/dbraw/zinc/94/13/56/872941356.db2.gz UJLUMGVIMUDWPI-UHFFFAOYSA-N 0 0 419.368 4.095 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O ZINC000460334067 872941712 /nfs/dbraw/zinc/94/17/12/872941712.db2.gz IQWBSGZUXBLKSJ-UHFFFAOYSA-N 0 0 419.368 4.095 20 5 HIBDRN C[C@H]1CN(C)c2ccccc2N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000460341472 872951659 /nfs/dbraw/zinc/95/16/59/872951659.db2.gz BQFGLHLRRYKOIQ-AWEZNQCLSA-N 0 0 408.483 4.451 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)CN(C)c3ccccc32)cc1SC ZINC000460343633 872957958 /nfs/dbraw/zinc/95/79/58/872957958.db2.gz PLUUXMWEOUDURC-CYBMUJFWSA-N 0 0 401.488 4.058 20 5 HIBDRN O=C(CCCc1nnc(-c2ccccc2)o1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460353598 872975830 /nfs/dbraw/zinc/97/58/30/872975830.db2.gz GTCNPIAUUVQJBM-NRFANRHFSA-N 0 0 424.482 4.242 20 5 HIBDRN CCOc1cn(-c2ccccc2)nc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460356478 872979346 /nfs/dbraw/zinc/97/93/46/872979346.db2.gz OHJQCZHKVWNAKY-OAQYLSRUSA-N 0 0 424.482 4.067 20 5 HIBDRN O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460359412 872987019 /nfs/dbraw/zinc/98/70/19/872987019.db2.gz ZZDQASQFSSQDIW-IBGZPJMESA-N 0 0 414.874 4.322 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H](C)CO1 ZINC000460378163 873017283 /nfs/dbraw/zinc/01/72/83/873017283.db2.gz BGOLFRSSLBITCE-JPYJTQIMSA-N 0 0 423.513 4.108 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(Br)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000460391007 873038216 /nfs/dbraw/zinc/03/82/16/873038216.db2.gz XPCRQTRMUSQDFF-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN COc1ccccc1-n1c(NC(=O)c2ccc([N+](=O)[O-])cc2F)nc2ccccc21 ZINC000460394804 873042127 /nfs/dbraw/zinc/04/21/27/873042127.db2.gz PAIRMLIRAQPNBT-UHFFFAOYSA-N 0 0 406.373 4.334 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000460402601 873054309 /nfs/dbraw/zinc/05/43/09/873054309.db2.gz QDOXGIGCOUQJOK-VGOFRKELSA-N 0 0 409.486 4.106 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c(F)c2)cc1SC ZINC000460405345 873057055 /nfs/dbraw/zinc/05/70/55/873057055.db2.gz PGJVJGYFHZTYEO-UHFFFAOYSA-N 0 0 415.240 4.479 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)cc1SC ZINC000460408566 873059485 /nfs/dbraw/zinc/05/94/85/873059485.db2.gz BHCZYNLJJHIITN-AUUYWEPGSA-N 0 0 416.499 4.236 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@@H](C)Oc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000460430046 873094311 /nfs/dbraw/zinc/09/43/11/873094311.db2.gz VSMKQSHGYBZGFK-CYBMUJFWSA-N 0 0 424.906 4.074 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1nc2ccccc2nc1N1CCCC1 ZINC000460458415 873137227 /nfs/dbraw/zinc/13/72/27/873137227.db2.gz AIIWGEKPXWWSSB-UHFFFAOYSA-N 0 0 411.849 4.352 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000460459782 873140296 /nfs/dbraw/zinc/14/02/96/873140296.db2.gz LCGDDHLFYDXNLD-KRWDZBQOSA-N 0 0 401.488 4.282 20 5 HIBDRN CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000460574282 873309363 /nfs/dbraw/zinc/30/93/63/873309363.db2.gz MIGYESFXALDHTI-PPSBMQLTSA-N 0 0 401.507 4.369 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)c(-n2ccc(-c3nc(-c4ccc(F)cn4)no3)n2)c(Cl)c1 ZINC000460635325 873376032 /nfs/dbraw/zinc/37/60/32/873376032.db2.gz APCXBJQPCXUNDW-UHFFFAOYSA-N 0 0 421.175 4.338 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000460654398 873395512 /nfs/dbraw/zinc/39/55/12/873395512.db2.gz GSFOMCPDPBMGBB-VQIMIIECSA-N 0 0 414.527 4.489 20 5 HIBDRN Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1-c1c(F)cccc1F ZINC000468615307 882729302 /nfs/dbraw/zinc/72/93/02/882729302.db2.gz MCKSLBXPMVZHOC-UHFFFAOYSA-N 0 0 414.412 4.418 20 5 HIBDRN CCc1nc2ccccc2n1Cc1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000460735475 873555950 /nfs/dbraw/zinc/55/59/50/873555950.db2.gz ZEFFRLUNMKTUQT-UHFFFAOYSA-N 0 0 404.430 4.180 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1C1CCCC1 ZINC000460773915 873624416 /nfs/dbraw/zinc/62/44/16/873624416.db2.gz WDFGOMANBKXUDP-HXUWFJFHSA-N 0 0 413.522 4.439 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460775847 873628248 /nfs/dbraw/zinc/62/82/48/873628248.db2.gz BAEBQIQOILDUDZ-UHFFFAOYSA-N 0 0 407.392 4.264 20 5 HIBDRN CCSCC[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000460893416 873803942 /nfs/dbraw/zinc/80/39/42/873803942.db2.gz JMYBZHNYWOQQTF-MAUKXSAKSA-N 0 0 419.551 4.000 20 5 HIBDRN CC(C)(C)C1=CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)CC1 ZINC000460911675 873818876 /nfs/dbraw/zinc/81/88/76/873818876.db2.gz RUFCZCBABRXTNP-IBGZPJMESA-N 0 0 411.506 4.215 20 5 HIBDRN CC1(C)CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@@H]1C1CC1 ZINC000460964477 873861948 /nfs/dbraw/zinc/86/19/48/873861948.db2.gz OWLNSEGJLVIMNL-MRXNPFEDSA-N 0 0 409.273 4.348 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1c[nH]cc1-c1ccc2c(c1)OCCO2 ZINC000461017389 873886989 /nfs/dbraw/zinc/88/69/89/873886989.db2.gz RSZJWUGNUSJINQ-UHFFFAOYSA-N 0 0 421.453 4.114 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2c1cccc2F ZINC000461076832 873977119 /nfs/dbraw/zinc/97/71/19/873977119.db2.gz RIDHNDHELCYACJ-UHFFFAOYSA-N 0 0 400.353 4.434 20 5 HIBDRN C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)Sc1ccc(Br)cc1 ZINC000461093520 874008829 /nfs/dbraw/zinc/00/88/29/874008829.db2.gz WCSUZBBZBZJDKM-LBPRGKRZSA-N 0 0 409.305 4.197 20 5 HIBDRN Cc1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nn1C1CCCCC1 ZINC000461104116 874023606 /nfs/dbraw/zinc/02/36/06/874023606.db2.gz RKLDGUHYVSPEHC-UHFFFAOYSA-N 0 0 400.482 4.944 20 5 HIBDRN C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO2)c2ccccc21 ZINC000461123192 874051696 /nfs/dbraw/zinc/05/16/96/874051696.db2.gz IBJZYGGDFQVZGY-MAUKXSAKSA-N 0 0 405.458 4.288 20 5 HIBDRN C[C@H]1c2ccccc2CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000461149530 874096141 /nfs/dbraw/zinc/09/61/41/874096141.db2.gz GLQZTKICBKGBBR-KXBFYZLASA-N 0 0 405.458 4.114 20 5 HIBDRN CC(C)(C)C1=CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)CC1 ZINC000461170683 874140843 /nfs/dbraw/zinc/14/08/43/874140843.db2.gz SUFLIZLSKVHMDI-IBGZPJMESA-N 0 0 411.506 4.215 20 5 HIBDRN Nc1c(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000468666617 882800172 /nfs/dbraw/zinc/80/01/72/882800172.db2.gz JEADCRZRXYLEGF-NDEPHWFRSA-N 0 0 401.488 4.011 20 5 HIBDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000461190777 874184857 /nfs/dbraw/zinc/18/48/57/874184857.db2.gz GTRDZIFONOYGFE-UHFFFAOYSA-N 0 0 402.398 4.408 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ncc(-c2ccccc2)cn1 ZINC000461201057 874202234 /nfs/dbraw/zinc/20/22/34/874202234.db2.gz NCTIZOIYGNUPAH-UHFFFAOYSA-N 0 0 414.874 4.114 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000461272299 874281956 /nfs/dbraw/zinc/28/19/56/874281956.db2.gz PBKPHAFJCDGNAX-MDKPJZGXSA-N 0 0 416.905 4.051 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@H](C)CO2)c1 ZINC000461278792 874287492 /nfs/dbraw/zinc/28/74/92/874287492.db2.gz XOZUZXRMQASSIX-QVKFZJNVSA-N 0 0 421.453 4.068 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000461306270 874312910 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MPOMBIDTTPPPML-HZPDHXFCSA-N 0 0 422.485 4.066 20 5 HIBDRN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000468731664 882832789 /nfs/dbraw/zinc/83/27/89/882832789.db2.gz AORPWJUWGCJAOZ-UHFFFAOYSA-N 0 0 405.414 4.382 20 5 HIBDRN Cc1sc(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000461476010 874532321 /nfs/dbraw/zinc/53/23/21/874532321.db2.gz AGROYPRJZIREFW-UHFFFAOYSA-N 0 0 410.499 4.188 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)NCc2nnc(C3CCC3)n2C)cc1[N+](=O)[O-] ZINC000461478762 874536413 /nfs/dbraw/zinc/53/64/13/874536413.db2.gz ACCMYVKQCOYJOV-UHFFFAOYSA-N 0 0 417.535 4.059 20 5 HIBDRN C[C@H]1SCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccs2)[C@@H]1C ZINC000461502716 874577819 /nfs/dbraw/zinc/57/78/19/874577819.db2.gz LUXQMBVPBSOELZ-ZIAGYGMSSA-N 0 0 415.544 4.293 20 5 HIBDRN CC[C@@H](C)c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C[C@@H]1CCOC1 ZINC000461518996 874600524 /nfs/dbraw/zinc/60/05/24/874600524.db2.gz NADHOJFIDFZAFM-AEFFLSMTSA-N 0 0 401.511 4.151 20 5 HIBDRN Cc1ccccc1[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461526939 874610719 /nfs/dbraw/zinc/61/07/19/874610719.db2.gz USEMUZSUFPTOCL-ROUUACIJSA-N 0 0 421.501 4.396 20 5 HIBDRN C[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)c2ccccc21 ZINC000461528930 874613523 /nfs/dbraw/zinc/61/35/23/874613523.db2.gz CWPLOVKXPFATKT-HOTGVXAUSA-N 0 0 405.458 4.145 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C12CCCCC2 ZINC000461546184 874632930 /nfs/dbraw/zinc/63/29/30/874632930.db2.gz UYAORYGYBGPUSR-XZOQPEGZSA-N 0 0 418.537 4.399 20 5 HIBDRN CCC[C@H](C)[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 ZINC000461561515 874654899 /nfs/dbraw/zinc/65/48/99/874654899.db2.gz FVRNPBPYANDVNL-ABSDTBQOSA-N 0 0 413.522 4.295 20 5 HIBDRN C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)c2ccccc21 ZINC000461565402 874662304 /nfs/dbraw/zinc/66/23/04/874662304.db2.gz IBYWFKLLNCLXCA-JKSUJKDBSA-N 0 0 405.458 4.145 20 5 HIBDRN CC(C)CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1)C1CCCC1 ZINC000461571459 874671858 /nfs/dbraw/zinc/67/18/58/874671858.db2.gz WBXPSDPRRZTKQV-QGZVFWFLSA-N 0 0 413.522 4.295 20 5 HIBDRN C[C@@H](c1ccccc1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1 ZINC000461582269 874692076 /nfs/dbraw/zinc/69/20/76/874692076.db2.gz VFLALNOYUSDOLQ-DLBZAZTESA-N 0 0 407.474 4.087 20 5 HIBDRN CCCCN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000468782028 882857389 /nfs/dbraw/zinc/85/73/89/882857389.db2.gz BPBGPLLRCURKCY-INIZCTEOSA-N 0 0 423.469 4.252 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccc2)n1C[C@H]1CCOC1 ZINC000461609588 874750233 /nfs/dbraw/zinc/75/02/33/874750233.db2.gz ODJDEEPBJOXXCO-LJQANCHMSA-N 0 0 421.501 4.305 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](OCC(C)C)C3)cc2[N+](=O)[O-])n1 ZINC000468800362 882865230 /nfs/dbraw/zinc/86/52/30/882865230.db2.gz BYLAPPOEDBYVRP-OAHLLOKOSA-N 0 0 421.544 4.398 20 5 HIBDRN C[C@H]1c2ccccc2CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 ZINC000461640165 874798511 /nfs/dbraw/zinc/79/85/11/874798511.db2.gz MALSQDXRLNEKIG-DLBZAZTESA-N 0 0 419.485 4.014 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@H]3C3CCC3)n2C[C@@H]2CCCCO2)cc1 ZINC000461649870 874806488 /nfs/dbraw/zinc/80/64/88/874806488.db2.gz JTZSRLDWBWJGMW-PMACEKPBSA-N 0 0 411.506 4.191 20 5 HIBDRN CC[C@H](C)c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1CCCCO1 ZINC000461679312 874829877 /nfs/dbraw/zinc/82/98/77/874829877.db2.gz IDWYMQZVOFGEHC-JXFKEZNVSA-N 0 0 413.522 4.438 20 5 HIBDRN CNS(=O)(=O)c1ccc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000461774435 874902047 /nfs/dbraw/zinc/90/20/47/874902047.db2.gz KUKIBWLMJKJIBO-LLVKDONJSA-N 0 0 417.409 4.003 20 5 HIBDRN Cc1cc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461775014 874902326 /nfs/dbraw/zinc/90/23/26/874902326.db2.gz JIYUKNSZTOHZPW-CYBMUJFWSA-N 0 0 401.429 4.299 20 5 HIBDRN Cc1cc(NCCCS(=O)(=O)c2ccccc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461779991 874903386 /nfs/dbraw/zinc/90/33/86/874903386.db2.gz MFXPIXBNJFWPEJ-UHFFFAOYSA-N 0 0 402.394 4.198 20 5 HIBDRN Cc1ccc(N(C)C2CCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)nn1 ZINC000461788924 874905695 /nfs/dbraw/zinc/90/56/95/874905695.db2.gz YJWBHJGXNKRAHF-UHFFFAOYSA-N 0 0 409.412 4.126 20 5 HIBDRN CC[C@@H](C)c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@H]1CCCCO1 ZINC000461827536 874956473 /nfs/dbraw/zinc/95/64/73/874956473.db2.gz JFPRUEPMCPDDKF-OXQOHEQNSA-N 0 0 413.522 4.438 20 5 HIBDRN CSCC[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 ZINC000461829975 874960994 /nfs/dbraw/zinc/96/09/94/874960994.db2.gz GUQBJUCSUSZVGN-CRAIPNDOSA-N 0 0 419.551 4.000 20 5 HIBDRN Cc1cc(C)c(Br)c(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000461866099 875016706 /nfs/dbraw/zinc/01/67/06/875016706.db2.gz KJUDEWCAPYOMBG-UHFFFAOYSA-N 0 0 415.247 4.617 20 5 HIBDRN CCOC(=O)c1csc(CCNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000461935274 875070656 /nfs/dbraw/zinc/07/06/56/875070656.db2.gz JWTFRQVTFXWGTJ-UHFFFAOYSA-N 0 0 403.382 4.210 20 5 HIBDRN Cc1cc(N2CCC[C@@H](CNC(=O)c3ccco3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461944882 875078117 /nfs/dbraw/zinc/07/81/17/875078117.db2.gz CFPGMPKOLCYRSL-ZDUSSCGKSA-N 0 0 411.380 4.161 20 5 HIBDRN Cc1cc(N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c(F)cc1[N+](=O)[O-] ZINC000461969987 875093186 /nfs/dbraw/zinc/09/31/86/875093186.db2.gz VCJBOWQUTIKZDU-OAHLLOKOSA-N 0 0 400.454 4.472 20 5 HIBDRN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000462062298 875174937 /nfs/dbraw/zinc/17/49/37/875174937.db2.gz XPKQYIKBDRSOMK-ZDUSSCGKSA-N 0 0 424.447 4.111 20 5 HIBDRN COc1cccc(N2CC[C@@H](CNc3ccc([N+](=O)[O-])cc3Br)C2)c1 ZINC000462089504 875198040 /nfs/dbraw/zinc/19/80/40/875198040.db2.gz AIUZZGYRYFBACE-ZDUSSCGKSA-N 0 0 406.280 4.304 20 5 HIBDRN CC[C@@]1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)OCCc2ccccc21 ZINC000462163979 875258659 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ZINC000462539978 875662346 /nfs/dbraw/zinc/66/23/46/875662346.db2.gz PWRTXBLKMRSSLT-NSHDSACASA-N 0 0 411.683 4.473 20 5 HIBDRN CC(C)OC(=O)CCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000462556907 875682978 /nfs/dbraw/zinc/68/29/78/875682978.db2.gz GCSVKJLVIOSJRJ-UHFFFAOYSA-N 0 0 401.419 4.240 20 5 HIBDRN Cc1cc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462601386 875716053 /nfs/dbraw/zinc/71/60/53/875716053.db2.gz YTHBAIPXKBRVEM-CYBMUJFWSA-N 0 0 421.482 4.183 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC000462607581 875720107 /nfs/dbraw/zinc/72/01/07/875720107.db2.gz QGGNZINCSLJTHJ-QGZVFWFLSA-N 0 0 414.527 4.316 20 5 HIBDRN Cc1cc(NC(=O)c2c(F)cccc2Br)c2cc([N+](=O)[O-])ccc2n1 ZINC000462607483 875720839 /nfs/dbraw/zinc/72/08/39/875720839.db2.gz VBAXGQJUJMLBTC-UHFFFAOYSA-N 0 0 404.195 4.027 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000462608767 875721850 /nfs/dbraw/zinc/72/18/50/875721850.db2.gz 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405.248 4.041 20 5 HIBDRN Cc1cc(C(F)(F)F)ncc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000464660059 877880579 /nfs/dbraw/zinc/88/05/79/877880579.db2.gz IFRRWZNYBUTFBQ-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN O=C(c1cc(F)ccc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464665139 877885613 /nfs/dbraw/zinc/88/56/13/877885613.db2.gz RTKHZRYGKIRYHP-UHFFFAOYSA-N 0 0 423.238 4.180 20 5 HIBDRN COc1cc(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])cc1F ZINC000464681536 877897411 /nfs/dbraw/zinc/89/74/11/877897411.db2.gz FGUKZEWGHDQZGX-GOSISDBHSA-N 0 0 414.355 4.335 20 5 HIBDRN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(Br)c1 ZINC000464689736 877903307 /nfs/dbraw/zinc/90/33/07/877903307.db2.gz KNSGDUUGXRTUHY-ZDUSSCGKSA-N 0 0 421.291 4.219 20 5 HIBDRN CCC(CC)(CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000464690597 877904736 /nfs/dbraw/zinc/90/47/36/877904736.db2.gz MNMDDRRTZGGCGT-UHFFFAOYSA-N 0 0 406.486 4.483 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1c2ccccc2CC12CCOCC2 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CCC[C@H](NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000464784905 878032036 /nfs/dbraw/zinc/03/20/36/878032036.db2.gz KGUIFHKGEQBTDX-QFIPXVFZSA-N 0 0 411.502 4.096 20 5 HIBDRN COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)c1 ZINC000464797542 878041468 /nfs/dbraw/zinc/04/14/68/878041468.db2.gz XSQOCDCEDFWJAV-CQSZACIVSA-N 0 0 410.426 4.021 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cc(F)cc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000464863387 878144941 /nfs/dbraw/zinc/14/49/41/878144941.db2.gz RQSMRVKZUHRFCI-MRXNPFEDSA-N 0 0 408.813 4.200 20 5 HIBDRN C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](c2ccccc2)CO1 ZINC000464947813 878284434 /nfs/dbraw/zinc/28/44/34/878284434.db2.gz KPUFUZWWOREJIX-IFXJQAMLSA-N 0 0 409.467 4.321 20 5 HIBDRN COc1cc(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)cc([N+](=O)[O-])c1OC ZINC000465000002 878354078 /nfs/dbraw/zinc/35/40/78/878354078.db2.gz HSSRMMDUGIFSLV-UHFFFAOYSA-N 0 0 406.866 4.264 20 5 HIBDRN COC(=O)c1cc(O[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)ccc1[N+](=O)[O-] ZINC000465019044 878380856 /nfs/dbraw/zinc/38/08/56/878380856.db2.gz QBLHYADVIZDUOI-NSHDSACASA-N 0 0 401.350 4.019 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000465026412 878390069 /nfs/dbraw/zinc/39/00/69/878390069.db2.gz BSDYHOXUQSBHSX-JOCHJYFZSA-N 0 0 414.433 4.095 20 5 HIBDRN CCOC(=O)c1sc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)nc1C ZINC000465053608 878416295 /nfs/dbraw/zinc/41/62/95/878416295.db2.gz NISSJZFFJKWYCR-SECBINFHSA-N 0 0 401.391 4.311 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N2C[C@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000465084527 878445431 /nfs/dbraw/zinc/44/54/31/878445431.db2.gz LFBTXCDGZWNQBN-HZPDHXFCSA-N 0 0 410.495 4.420 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(=Cc2ccccc2F)CC1 ZINC000465086728 878449992 /nfs/dbraw/zinc/44/99/92/878449992.db2.gz YIAFJRMSOSCOCC-UHFFFAOYSA-N 0 0 406.417 4.239 20 5 HIBDRN COc1cc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)cc([N+](=O)[O-])c1OC 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Cc1cc(C)c(Nc2nnc(SCCn3cc([N+](=O)[O-])cn3)s2)c(Cl)c1 ZINC000470844008 885338530 /nfs/dbraw/zinc/33/85/30/885338530.db2.gz YWRMINFGNGCTFZ-UHFFFAOYSA-N 0 0 410.912 4.449 20 5 HIBDRN Cc1ccc(-c2nnc(SCCn3cc([N+](=O)[O-])cn3)n2-c2ccc(C)cc2)cc1 ZINC000470847980 885346064 /nfs/dbraw/zinc/34/60/64/885346064.db2.gz JNFUPVCJSYIARI-UHFFFAOYSA-N 0 0 420.498 4.448 20 5 HIBDRN O=C(CSc1nnc(C2CC2)s1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000470853194 885349363 /nfs/dbraw/zinc/34/93/63/885349363.db2.gz ZANXZFHTAXERHR-UHFFFAOYSA-N 0 0 419.513 4.178 20 5 HIBDRN CC[C@@H](Nc1nc(N[C@H](CC)C2CCOCC2)c([N+](=O)[O-])s1)C1CCOCC1 ZINC000470869247 885357157 /nfs/dbraw/zinc/35/71/57/885357157.db2.gz ZKUCIQRBSNXRNG-HZPDHXFCSA-N 0 0 412.556 4.286 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 ZINC000470878023 885367925 /nfs/dbraw/zinc/36/79/25/885367925.db2.gz SAUCNYANTABVHN-DENIHFKCSA-N 0 0 420.469 4.200 20 5 HIBDRN CC(C)C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)OC(C)(C)C 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OHGIOAQBVUPRGZ-UHFFFAOYSA-N 0 0 413.459 4.330 20 5 HIBDRN O=C(NCc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1)Nc1ccccc1Cl ZINC000471119400 885654538 /nfs/dbraw/zinc/65/45/38/885654538.db2.gz SYVKJLHAGAGDGX-UHFFFAOYSA-N 0 0 414.805 4.415 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000471150370 885697221 /nfs/dbraw/zinc/69/72/21/885697221.db2.gz FBZUGBBJCNIXFH-ACJLOTCBSA-N 0 0 404.850 4.249 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000471158107 885709688 /nfs/dbraw/zinc/70/96/88/885709688.db2.gz XARHJIKWBFEKOX-GFCCVEGCSA-N 0 0 423.288 4.333 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000504069541 912970670 /nfs/dbraw/zinc/97/06/70/912970670.db2.gz HQRQFGCEFANIMH-UHFFFAOYSA-N 0 0 414.531 4.412 20 5 HIBDRN Cc1ccccc1Cc1nnc(COc2ccc([N+](=O)[O-])cc2Br)o1 ZINC000471245891 885822953 /nfs/dbraw/zinc/82/29/53/885822953.db2.gz RZSOQQKHTAKGDK-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN CCC1(CC)CN(C(=O)c2ccc(C(=O)N3CC(CC)(CC)C3)c([N+](=O)[O-])c2)C1 ZINC000504074521 912978071 /nfs/dbraw/zinc/97/80/71/912978071.db2.gz FTQWKEYGYFWEST-UHFFFAOYSA-N 0 0 401.507 4.119 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000471295042 885881740 /nfs/dbraw/zinc/88/17/40/885881740.db2.gz CSHPCQOFDGDFCN-UHFFFAOYSA-N 0 0 400.822 4.068 20 5 HIBDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000471321763 885914725 /nfs/dbraw/zinc/91/47/25/885914725.db2.gz JAIGXVGFPUWOPW-UHFFFAOYSA-N 0 0 424.367 4.010 20 5 HIBDRN COCCC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000471338618 885943859 /nfs/dbraw/zinc/94/38/59/885943859.db2.gz WOQYWWQXEIBITR-KRWDZBQOSA-N 0 0 402.466 4.166 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000471348134 885960954 /nfs/dbraw/zinc/96/09/54/885960954.db2.gz XMWKDCFQBWAOEO-UHFFFAOYSA-N 0 0 401.423 4.225 20 5 HIBDRN CC(C)(C)OCc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)no1 ZINC000471368664 886004361 /nfs/dbraw/zinc/00/43/61/886004361.db2.gz HAFRSFVLYIPVKV-UHFFFAOYSA-N 0 0 402.432 4.274 20 5 HIBDRN CC(C)(C)OC(=O)CCc1cccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000471373875 886013514 /nfs/dbraw/zinc/01/35/14/886013514.db2.gz UBPVSFZUDZMTLB-UHFFFAOYSA-N 0 0 413.474 4.233 20 5 HIBDRN Cc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccn2)cc1 ZINC000471386931 886034495 /nfs/dbraw/zinc/03/44/95/886034495.db2.gz YPLFLDVXEJXNKM-IBGZPJMESA-N 0 0 413.380 4.419 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000471424224 886079473 /nfs/dbraw/zinc/07/94/73/886079473.db2.gz LYFXWCMDPBMGTK-WMLDXEAASA-N 0 0 421.266 4.446 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000504097494 913007229 /nfs/dbraw/zinc/00/72/29/913007229.db2.gz WGISBHJIVKIQMJ-SFHVURJKSA-N 0 0 414.412 4.400 20 5 HIBDRN COc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000471452646 886127435 /nfs/dbraw/zinc/12/74/35/886127435.db2.gz OEBRABCESIUMNX-MRXNPFEDSA-N 0 0 402.447 4.138 20 5 HIBDRN CCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC000471453828 886129641 /nfs/dbraw/zinc/12/96/41/886129641.db2.gz WBLGPFIVANFZPC-INIZCTEOSA-N 0 0 418.515 4.045 20 5 HIBDRN O=C(NC[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000471464693 886148418 /nfs/dbraw/zinc/14/84/18/886148418.db2.gz KTIKLCMHPAFSHR-SFHVURJKSA-N 0 0 423.494 4.234 20 5 HIBDRN O=[N+]([O-])c1ccc(OC[C@@H](O)COc2cc(Cl)ccc2Cl)c2cccnc21 ZINC000471478137 886173945 /nfs/dbraw/zinc/17/39/45/886173945.db2.gz XITATQZGXMZRHF-GFCCVEGCSA-N 0 0 409.225 4.269 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)ccc1[N+](=O)[O-] ZINC000471490649 886189000 /nfs/dbraw/zinc/18/90/00/886189000.db2.gz DEFGMBRXHVNADP-UHFFFAOYSA-N 0 0 414.805 4.437 20 5 HIBDRN O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000471509815 886211344 /nfs/dbraw/zinc/21/13/44/886211344.db2.gz BZQIHYRWBZOJSZ-ICSRJNTNSA-N 0 0 411.477 4.403 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000471520132 886222786 /nfs/dbraw/zinc/22/27/86/886222786.db2.gz CGDPPKMZQMNDQE-JSGCOSHPSA-N 0 0 424.375 4.410 20 5 HIBDRN COc1cc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000471568729 886278248 /nfs/dbraw/zinc/27/82/48/886278248.db2.gz AQYUHWNYVICDBQ-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)OC(C)C ZINC000471573331 886283888 /nfs/dbraw/zinc/28/38/88/886283888.db2.gz XQQHFZWELASOSF-IBGZPJMESA-N 0 0 400.475 4.425 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2ccccc2c1 ZINC000471653388 886367364 /nfs/dbraw/zinc/36/73/64/886367364.db2.gz JTOANTYSPCEODR-IBGZPJMESA-N 0 0 412.829 4.436 20 5 HIBDRN COc1ccc(C)nc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000471705668 886413387 /nfs/dbraw/zinc/41/33/87/886413387.db2.gz LUBZLNQDOSNIFL-CQSZACIVSA-N 0 0 407.430 4.127 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)NC[C@H]3CCC[C@H](O)C3)cc2[N+](=O)[O-])cc1 ZINC000504158770 913050827 /nfs/dbraw/zinc/05/08/27/913050827.db2.gz ZYRZYCPNZQPNIB-RDJZCZTQSA-N 0 0 400.500 4.335 20 5 HIBDRN COCCC1(CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CCCC1 ZINC000471837395 886594447 /nfs/dbraw/zinc/59/44/47/886594447.db2.gz RQFIMGJANWVGBO-KRWDZBQOSA-N 0 0 403.523 4.158 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2ncccc12)N1CCC(Cc2ccccc2)CC1 ZINC000471864323 886641315 /nfs/dbraw/zinc/64/13/15/886641315.db2.gz IFYUPESAKDERPY-UHFFFAOYSA-N 0 0 405.454 4.003 20 5 HIBDRN Cc1c(I)cccc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000471906686 886689948 /nfs/dbraw/zinc/68/99/48/886689948.db2.gz KNRRMTZMIPKVIS-UHFFFAOYSA-N 0 0 424.238 4.173 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1[N+](=O)[O-] ZINC000471906719 886690218 /nfs/dbraw/zinc/69/02/18/886690218.db2.gz RCBXKRLIYLUGMZ-UHFFFAOYSA-N 0 0 416.437 4.007 20 5 HIBDRN CCc1ccc(C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)cc1[N+](=O)[O-] ZINC000471962709 886787500 /nfs/dbraw/zinc/78/75/00/886787500.db2.gz ASDIRGPBNCUBGS-UHFFFAOYSA-N 0 0 406.486 4.263 20 5 HIBDRN COc1cccc2c1nc(NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)n2C ZINC000472111316 886898405 /nfs/dbraw/zinc/89/84/05/886898405.db2.gz VHIAYRQTMIJPPK-UHFFFAOYSA-N 0 0 400.460 4.243 20 5 HIBDRN Cc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] ZINC000472212171 887012384 /nfs/dbraw/zinc/01/23/84/887012384.db2.gz LOMPKRBUQYAJRW-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000472287074 887106350 /nfs/dbraw/zinc/10/63/50/887106350.db2.gz LVQMTPICEGIDTK-KRWDZBQOSA-N 0 0 410.417 4.473 20 5 HIBDRN O=C(NCC1CCN(c2ccccc2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000472360991 887198165 /nfs/dbraw/zinc/19/81/65/887198165.db2.gz LMUHIYKSORJLHR-UHFFFAOYSA-N 0 0 408.502 4.185 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)n2)cc1 ZINC000472371708 887209784 /nfs/dbraw/zinc/20/97/84/887209784.db2.gz DEXAICPBYKFHKO-GFCCVEGCSA-N 0 0 405.414 4.180 20 5 HIBDRN COCCOc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(Cl)c1 ZINC000472396336 887243814 /nfs/dbraw/zinc/24/38/14/887243814.db2.gz RBWXPRRZZLGAHK-UHFFFAOYSA-N 0 0 404.850 4.078 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000504286501 913139906 /nfs/dbraw/zinc/13/99/06/913139906.db2.gz PERGCIMBFLWUTK-GFCCVEGCSA-N 0 0 412.833 4.209 20 5 HIBDRN Cc1ccc([C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c2ccccn2)cc1 ZINC000472506632 887374311 /nfs/dbraw/zinc/37/43/11/887374311.db2.gz UYLPYHRBUJPYLQ-QFIPXVFZSA-N 0 0 402.454 4.156 20 5 HIBDRN CN(C(=O)CN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000472608328 887478630 /nfs/dbraw/zinc/47/86/30/887478630.db2.gz IDIGPNWWIZSKTO-OAQYLSRUSA-N 0 0 419.485 4.175 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(Cl)cc2-n2cccn2)c([N+](=O)[O-])cc1OC ZINC000472669964 887524463 /nfs/dbraw/zinc/52/44/63/887524463.db2.gz PMGKIKXFXQQOIA-UHFFFAOYSA-N 0 0 416.821 4.094 20 5 HIBDRN C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1noc(-c2ccccc2)n1 ZINC000472672538 887527902 /nfs/dbraw/zinc/52/79/02/887527902.db2.gz ZXHBOCQOFRHXFB-LBPRGKRZSA-N 0 0 421.438 4.259 20 5 HIBDRN O=C(Nc1cccc(COC2CCCCC2)c1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472724598 887570545 /nfs/dbraw/zinc/57/05/45/887570545.db2.gz NBRUQRGQFYTMRB-UHFFFAOYSA-N 0 0 415.421 4.160 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)OC(C)C ZINC000472768450 887615685 /nfs/dbraw/zinc/61/56/85/887615685.db2.gz WVCWDXMSSKJXEW-LJQANCHMSA-N 0 0 421.881 4.222 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000504318371 913163659 /nfs/dbraw/zinc/16/36/59/913163659.db2.gz MBFOAOKFXNDZJU-AWEZNQCLSA-N 0 0 421.478 4.178 20 5 HIBDRN Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000472851437 887705651 /nfs/dbraw/zinc/70/56/51/887705651.db2.gz PXBMXNJQEPGGJQ-MRXNPFEDSA-N 0 0 416.441 4.147 20 5 HIBDRN O=C(N[C@H]1CCOc2c(Br)cccc21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000504330519 913173546 /nfs/dbraw/zinc/17/35/46/913173546.db2.gz BLBOPANDMQALSP-ZDUSSCGKSA-N 0 0 416.231 4.092 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000472923452 887770543 /nfs/dbraw/zinc/77/05/43/887770543.db2.gz FKEDRUCHQWIQNF-UHFFFAOYSA-N 0 0 424.284 4.426 20 5 HIBDRN O=C(NCCc1ccccc1OC(F)F)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000473013976 887842409 /nfs/dbraw/zinc/84/24/09/887842409.db2.gz HQJQGAWUNCWGGF-UHFFFAOYSA-N 0 0 404.291 4.188 20 5 HIBDRN CCCCCn1cc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1 ZINC000504353218 913187766 /nfs/dbraw/zinc/18/77/66/913187766.db2.gz ILYWLPQYUNNDDC-UHFFFAOYSA-N 0 0 416.525 4.166 20 5 HIBDRN CCC(O)(CC)CCNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000473060131 887881869 /nfs/dbraw/zinc/88/18/69/887881869.db2.gz OWOHCPZSFWVIIU-UHFFFAOYSA-N 0 0 409.533 4.182 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2SC(C)C)cc1[N+](=O)[O-] ZINC000473221047 887994008 /nfs/dbraw/zinc/99/40/08/887994008.db2.gz MQXSVCACRQEWOG-AWEZNQCLSA-N 0 0 401.488 4.220 20 5 HIBDRN O=C(Nc1cccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1)c1ccc2[nH]cnc2c1 ZINC000473356850 888081492 /nfs/dbraw/zinc/08/14/92/888081492.db2.gz SJSGEMLFZPXGQA-UHFFFAOYSA-N 0 0 419.372 4.115 20 5 HIBDRN C[C@@H]1CCC[C@@H](CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000504388448 913212425 /nfs/dbraw/zinc/21/24/25/913212425.db2.gz NYDTZPNEXWPCOL-CHWSQXEVSA-N 0 0 423.516 4.039 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 ZINC000473409506 888128053 /nfs/dbraw/zinc/12/80/53/888128053.db2.gz RJSPGOYGVHLBGT-CYBMUJFWSA-N 0 0 404.492 4.212 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473518742 888252011 /nfs/dbraw/zinc/25/20/11/888252011.db2.gz FPHPRJIGQOPVQR-UHFFFAOYSA-N 0 0 400.822 4.246 20 5 HIBDRN COc1cc(CCNC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000504407830 913226170 /nfs/dbraw/zinc/22/61/70/913226170.db2.gz IFPRHKKKKCZXGV-PMACEKPBSA-N 0 0 420.465 4.228 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000473535234 888272624 /nfs/dbraw/zinc/27/26/24/888272624.db2.gz RWWLDMPMRHHTSO-SFHVURJKSA-N 0 0 414.259 4.483 20 5 HIBDRN COc1cc(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)cc([N+](=O)[O-])c1OC ZINC000473542594 888280279 /nfs/dbraw/zinc/28/02/79/888280279.db2.gz LOJYUZBAKKKNKW-UHFFFAOYSA-N 0 0 408.410 4.071 20 5 HIBDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000473558182 888295959 /nfs/dbraw/zinc/29/59/59/888295959.db2.gz YALYUFGAKOHZRC-POXGOYDTSA-N 0 0 402.516 4.463 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000473657161 888406803 /nfs/dbraw/zinc/40/68/03/888406803.db2.gz DKWVDAKFXZUNAG-UHFFFAOYSA-N 0 0 409.442 4.188 20 5 HIBDRN Cn1c2ccccc2nc1C(C)(C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000473667610 888423837 /nfs/dbraw/zinc/42/38/37/888423837.db2.gz WISPHEDPYNYLOL-UHFFFAOYSA-N 0 0 419.388 4.140 20 5 HIBDRN COc1ccc(C)cc1C1(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CCOCC1 ZINC000473773680 888573581 /nfs/dbraw/zinc/57/35/81/888573581.db2.gz CQIJPMVXYKSMCX-UHFFFAOYSA-N 0 0 413.474 4.090 20 5 HIBDRN Cc1c(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cccc1C(F)(F)F ZINC000473805917 888629154 /nfs/dbraw/zinc/62/91/54/888629154.db2.gz DFTHRKMVBDVBCH-UHFFFAOYSA-N 0 0 408.380 4.276 20 5 HIBDRN CC(C)c1ccc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000473834258 888670313 /nfs/dbraw/zinc/67/03/13/888670313.db2.gz FGMIGLWICIEWBK-UHFFFAOYSA-N 0 0 409.486 4.000 20 5 HIBDRN CC(C)c1ccc(C(=O)N(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000473845516 888692019 /nfs/dbraw/zinc/69/20/19/888692019.db2.gz VDQKUFFQHAMZSR-NRFANRHFSA-N 0 0 410.449 4.452 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(F)c(Br)cc1C ZINC000473861382 888715573 /nfs/dbraw/zinc/71/55/73/888715573.db2.gz AZYFMMAAFTXCRQ-UHFFFAOYSA-N 0 0 412.215 4.135 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cccc1[N+](=O)[O-] ZINC000473927146 888806253 /nfs/dbraw/zinc/80/62/53/888806253.db2.gz HEJSGWILTBXNKG-AWEZNQCLSA-N 0 0 423.256 4.137 20 5 HIBDRN C[C@@H](NC(=O)NCCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000474118010 888938297 /nfs/dbraw/zinc/93/82/97/888938297.db2.gz QEOBSJMNKXNYSO-CYBMUJFWSA-N 0 0 411.380 4.139 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000474131830 888951421 /nfs/dbraw/zinc/95/14/21/888951421.db2.gz BCLSSDZMQMNKFJ-UHFFFAOYSA-N 0 0 401.850 4.256 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)N[C@@H](CC)c3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000474133550 888952763 /nfs/dbraw/zinc/95/27/63/888952763.db2.gz GQVSKSZBPSEIQE-INIZCTEOSA-N 0 0 418.519 4.038 20 5 HIBDRN C[C@]1(CO)CCC[C@@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000474133076 888953413 /nfs/dbraw/zinc/95/34/13/888953413.db2.gz NUHOTIYQJVNWDT-AZUAARDMSA-N 0 0 404.850 4.321 20 5 HIBDRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000504516726 913302614 /nfs/dbraw/zinc/30/26/14/913302614.db2.gz XJRNRAWIZVGTPJ-UHFFFAOYSA-N 0 0 419.268 4.424 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474192997 889030076 /nfs/dbraw/zinc/03/00/76/889030076.db2.gz AOVLTOOAVNMLII-CHWSQXEVSA-N 0 0 412.895 4.070 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474192998 889030486 /nfs/dbraw/zinc/03/04/86/889030486.db2.gz AOVLTOOAVNMLII-OLZOCXBDSA-N 0 0 412.895 4.070 20 5 HIBDRN Cc1nc2ccccc2c2c(NC(=O)CC3(CS(C)(=O)=O)CC3)c3ccccc3n21 ZINC000474211654 889050581 /nfs/dbraw/zinc/05/05/81/889050581.db2.gz MDCGPEOWFGJQDD-UHFFFAOYSA-N 0 0 421.522 4.103 20 5 HIBDRN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000474214273 889053235 /nfs/dbraw/zinc/05/32/35/889053235.db2.gz RDTJIJUGQIQZQI-ZDUSSCGKSA-N 0 0 417.874 4.350 20 5 HIBDRN C[C@H](C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000474235516 889080832 /nfs/dbraw/zinc/08/08/32/889080832.db2.gz UZHWUAUKNDZBGF-NQCMUKECSA-N 0 0 406.841 4.479 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)ccc1[N+](=O)[O-] ZINC000504539066 913316905 /nfs/dbraw/zinc/31/69/05/913316905.db2.gz BMSRQZUTVJVLQI-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN Cc1cc(C(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c(C)n1Cc1ccco1 ZINC000504539732 913318908 /nfs/dbraw/zinc/31/89/08/913318908.db2.gz SOPXPFHFWZVDBG-UHFFFAOYSA-N 0 0 404.426 4.401 20 5 HIBDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000474406064 889273060 /nfs/dbraw/zinc/27/30/60/889273060.db2.gz ADZXHGYFMLNESC-UHFFFAOYSA-N 0 0 413.474 4.169 20 5 HIBDRN O=C(Nc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)s1)Nc1ccccc1 ZINC000474530994 889403111 /nfs/dbraw/zinc/40/31/11/889403111.db2.gz MRVYLYXXLCTTGF-UHFFFAOYSA-N 0 0 410.455 4.273 20 5 HIBDRN C/C=C\C[C@@H](CO)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000474619814 889483762 /nfs/dbraw/zinc/48/37/62/889483762.db2.gz MUWDEURSONISKB-JZIMQPMSSA-N 0 0 420.849 4.106 20 5 HIBDRN C/C=C/C[C@H](CO)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000474631507 889493191 /nfs/dbraw/zinc/49/31/91/889493191.db2.gz GFKDPGARNRAYRU-BAABZTOOSA-N 0 0 406.891 4.456 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)C/C=C\c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000474709446 889568499 /nfs/dbraw/zinc/56/84/99/889568499.db2.gz GWNIAXLXHMRHIV-VOFKWLDRSA-N 0 0 414.433 4.336 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(NCc3ccn4ccnc4c3)c([N+](=O)[O-])c2)cc1 ZINC000474780319 889638874 /nfs/dbraw/zinc/63/88/74/889638874.db2.gz KSMSVDSPDPVORE-UHFFFAOYSA-N 0 0 401.426 4.415 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)ccc1OCC(C)C ZINC000474782372 889640565 /nfs/dbraw/zinc/64/05/65/889640565.db2.gz XSCRYOVNUBLPDN-CQSZACIVSA-N 0 0 402.447 4.138 20 5 HIBDRN O=C(Nc1nnc(CC2CCCCC2)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000504613317 913366649 /nfs/dbraw/zinc/36/66/49/913366649.db2.gz KHSTVZXTRUZTEO-UHFFFAOYSA-N 0 0 412.475 4.007 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC(CC(C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000504621295 913373759 /nfs/dbraw/zinc/37/37/59/913373759.db2.gz NTIGEWVIYKXLAA-FQEVSTJZSA-N 0 0 403.523 4.085 20 5 HIBDRN Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000474877481 889731950 /nfs/dbraw/zinc/73/19/50/889731950.db2.gz ZPTLPZOBKXORFH-UHFFFAOYSA-N 0 0 407.361 4.135 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474889653 889747716 /nfs/dbraw/zinc/74/77/16/889747716.db2.gz UBJBVMPUOPBYOZ-INIZCTEOSA-N 0 0 414.767 4.481 20 5 HIBDRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000474892016 889750747 /nfs/dbraw/zinc/75/07/47/889750747.db2.gz HFSUTDPFASIYLP-QLFBSQMISA-N 0 0 417.893 4.017 20 5 HIBDRN COc1c(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cccc1[N+](=O)[O-] ZINC000474906364 889766234 /nfs/dbraw/zinc/76/62/34/889766234.db2.gz OKTSQHVYHFIZMR-UHFFFAOYSA-N 0 0 402.410 4.479 20 5 HIBDRN O=C(NCCOC(F)(F)F)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000474928045 889786940 /nfs/dbraw/zinc/78/69/40/889786940.db2.gz FRMQJYYRCMOHFB-UHFFFAOYSA-N 0 0 404.728 4.307 20 5 HIBDRN CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000504647811 913392423 /nfs/dbraw/zinc/39/24/23/913392423.db2.gz REFOWTIPDWHLLD-HNNXBMFYSA-N 0 0 416.499 4.284 20 5 HIBDRN COc1c(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000475036097 889889244 /nfs/dbraw/zinc/88/92/44/889889244.db2.gz WNNAUWDTOXXHAW-UHFFFAOYSA-N 0 0 405.410 4.132 20 5 HIBDRN COc1ccc(CNC(=O)N2CCc3cc(-c4ccccc4)oc3C2)cc1[N+](=O)[O-] ZINC000475040467 889892644 /nfs/dbraw/zinc/89/26/44/889892644.db2.gz VQRZIYOFMJCAMI-UHFFFAOYSA-N 0 0 407.426 4.131 20 5 HIBDRN C[C@@H](NC(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000475107524 889956459 /nfs/dbraw/zinc/95/64/59/889956459.db2.gz IHGGVPGRMQFOQR-ACJLOTCBSA-N 0 0 423.391 4.458 20 5 HIBDRN O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475126468 889987581 /nfs/dbraw/zinc/98/75/81/889987581.db2.gz AXAXJZAPNPYZHE-AEFFLSMTSA-N 0 0 404.850 4.078 20 5 HIBDRN O=C(c1ccc(Cl)cc1NCc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1CCO ZINC000475179635 890049617 /nfs/dbraw/zinc/04/96/17/890049617.db2.gz CVGFAUUOXJYVBG-QGZVFWFLSA-N 0 0 417.893 4.237 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000475190789 890060095 /nfs/dbraw/zinc/06/00/95/890060095.db2.gz OHGPYWOETYVOGH-CQSZACIVSA-N 0 0 401.366 4.281 20 5 HIBDRN CC(=O)N1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccc21 ZINC000475192865 890063427 /nfs/dbraw/zinc/06/34/27/890063427.db2.gz HEIZLJMATCGKOL-HNNXBMFYSA-N 0 0 422.363 4.233 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000475208634 890077264 /nfs/dbraw/zinc/07/72/64/890077264.db2.gz ZFMLAIMBNZWZNX-IBGZPJMESA-N 0 0 417.425 4.289 20 5 HIBDRN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475223813 890091820 /nfs/dbraw/zinc/09/18/20/890091820.db2.gz JGGLKYFTULOLBE-AWEZNQCLSA-N 0 0 411.336 4.425 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Br)cn1 ZINC000475246252 890127893 /nfs/dbraw/zinc/12/78/93/890127893.db2.gz YMRIRNFRQOVEFE-LBPRGKRZSA-N 0 0 419.279 4.188 20 5 HIBDRN Cc1nc(NC(=O)c2cc(Br)sc2Br)ccc1[N+](=O)[O-] ZINC000475294606 890199897 /nfs/dbraw/zinc/19/98/97/890199897.db2.gz OFKAYIBHUBSWCE-UHFFFAOYSA-N 0 0 421.070 4.137 20 5 HIBDRN Cc1ccccc1-n1ncc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1C(F)(F)F ZINC000475309247 890220635 /nfs/dbraw/zinc/22/06/35/890220635.db2.gz VMXSXJMYWLIYDJ-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN CC(=O)c1ccc(Cl)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000475322881 890242442 /nfs/dbraw/zinc/24/24/42/890242442.db2.gz UFGBWWBLVBGHQW-UHFFFAOYSA-N 0 0 401.850 4.306 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccncc2)c(Cl)c1 ZINC000475402806 890330109 /nfs/dbraw/zinc/33/01/09/890330109.db2.gz FYZFWFRKVXQEET-UHFFFAOYSA-N 0 0 403.847 4.039 20 5 HIBDRN COc1cccc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1[N+](=O)[O-] ZINC000475440763 890358536 /nfs/dbraw/zinc/35/85/36/890358536.db2.gz CHGOPYBZBSXFKO-GFCCVEGCSA-N 0 0 421.379 4.049 20 5 HIBDRN O=[N+]([O-])c1cccc2nc(/C=C/c3ncc(I)s3)ccc21 ZINC000504712178 913445550 /nfs/dbraw/zinc/44/55/50/913445550.db2.gz NGDHSGWWPSSPEP-FNORWQNLSA-N 0 0 409.208 4.375 20 5 HIBDRN O=[N+]([O-])c1cccc2nc(/C=C\c3ncc(I)s3)ccc21 ZINC000504712177 913446047 /nfs/dbraw/zinc/44/60/47/913446047.db2.gz NGDHSGWWPSSPEP-ALCCZGGFSA-N 0 0 409.208 4.375 20 5 HIBDRN CC(C)(O)COc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000475497895 890406531 /nfs/dbraw/zinc/40/65/31/890406531.db2.gz UUARZGWXQRVHEU-UHFFFAOYSA-N 0 0 413.455 4.120 20 5 HIBDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475546634 890471109 /nfs/dbraw/zinc/47/11/09/890471109.db2.gz HHQKJSPJVUJPDW-UHFFFAOYSA-N 0 0 411.506 4.377 20 5 HIBDRN CC[C@H]1NC(=O)N(c2cccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2)C1=O ZINC000475566470 890495542 /nfs/dbraw/zinc/49/55/42/890495542.db2.gz HNIAJPICIHCALV-LJQANCHMSA-N 0 0 420.425 4.302 20 5 HIBDRN CC[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475616749 890548337 /nfs/dbraw/zinc/54/83/37/890548337.db2.gz HMUFDXBOYHTKCB-AVRDEDQJSA-N 0 0 416.449 4.296 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475630714 890571144 /nfs/dbraw/zinc/57/11/44/890571144.db2.gz IKTKQWVNALMKRJ-VFNWGFHPSA-N 0 0 418.877 4.420 20 5 HIBDRN CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 ZINC000475652781 890598223 /nfs/dbraw/zinc/59/82/23/890598223.db2.gz GPDUSPGRUYRTAB-OALUTQOASA-N 0 0 416.547 4.203 20 5 HIBDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000475657237 890602699 /nfs/dbraw/zinc/60/26/99/890602699.db2.gz SVCKXPUCMRYNRJ-TZMCWYRMSA-N 0 0 401.326 4.032 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000475735054 890674482 /nfs/dbraw/zinc/67/44/82/890674482.db2.gz BDKLKEYPAOCXPU-OAHLLOKOSA-N 0 0 410.243 4.086 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])cc1OC ZINC000475763126 890709801 /nfs/dbraw/zinc/70/98/01/890709801.db2.gz WSWGGUMLEIVBLY-NSHDSACASA-N 0 0 402.378 4.378 20 5 HIBDRN COc1c(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cccc1[N+](=O)[O-] ZINC000475775394 890720101 /nfs/dbraw/zinc/72/01/01/890720101.db2.gz XRZVNKOSBUQSAS-UHFFFAOYSA-N 0 0 417.849 4.135 20 5 HIBDRN Cn1cc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475807366 890741302 /nfs/dbraw/zinc/74/13/02/890741302.db2.gz IHKHGNQZEGIXHK-DLENHJPASA-N 0 0 402.454 4.313 20 5 HIBDRN Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)cc1[N+](=O)[O-] ZINC000475842373 890775096 /nfs/dbraw/zinc/77/50/96/890775096.db2.gz WPALETWUUKMFON-KRWDZBQOSA-N 0 0 423.238 4.019 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])[C@@H]1CC(=O)c2ccccc21 ZINC000475843906 890778131 /nfs/dbraw/zinc/77/81/31/890778131.db2.gz CCYRDOHARBVSBL-LJQANCHMSA-N 0 0 402.406 4.483 20 5 HIBDRN O=C(Nc1ncc(C(F)(F)F)s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475856233 890791459 /nfs/dbraw/zinc/79/14/59/890791459.db2.gz ZSEYIDMUGACNIC-UHFFFAOYSA-N 0 0 400.363 4.446 20 5 HIBDRN CCSc1ccc([C@@H](C)NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000504750947 913489556 /nfs/dbraw/zinc/48/95/56/913489556.db2.gz PXGFJYFMCOVHPG-CYBMUJFWSA-N 0 0 411.487 4.087 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000475881647 890815707 /nfs/dbraw/zinc/81/57/07/890815707.db2.gz OMEVLKDYDRFIPS-UHFFFAOYSA-N 0 0 403.276 4.339 20 5 HIBDRN Cc1c(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)cccc1[N+](=O)[O-] ZINC000475883023 890816292 /nfs/dbraw/zinc/81/62/92/890816292.db2.gz LXLMBEPMYFCRQQ-KRWDZBQOSA-N 0 0 423.238 4.019 20 5 HIBDRN Cc1cc(NC(=O)c2csc(Br)c2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000476094594 891015460 /nfs/dbraw/zinc/01/54/60/891015460.db2.gz HPQWDAIZIBLRCG-UHFFFAOYSA-N 0 0 421.276 4.474 20 5 HIBDRN C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2cccc(Cl)c2O1 ZINC000476108154 891029065 /nfs/dbraw/zinc/02/90/65/891029065.db2.gz GEDLHAMTOOBBJJ-CQSZACIVSA-N 0 0 415.877 4.279 20 5 HIBDRN O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476160010 891085139 /nfs/dbraw/zinc/08/51/39/891085139.db2.gz OZHSIMRLLWELBS-UHFFFAOYSA-N 0 0 412.449 4.191 20 5 HIBDRN Cn1nccc1C1=CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000476183182 891114545 /nfs/dbraw/zinc/11/45/45/891114545.db2.gz RABARXBFFWIJRB-UHFFFAOYSA-N 0 0 419.441 4.442 20 5 HIBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476184303 891116221 /nfs/dbraw/zinc/11/62/21/891116221.db2.gz XEYHLWKNTUCUFW-RZOVJBFXSA-N 0 0 409.442 4.274 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000476209016 891138698 /nfs/dbraw/zinc/13/86/98/891138698.db2.gz UHBVXLHYOSVVBQ-OAHLLOKOSA-N 0 0 415.490 4.025 20 5 HIBDRN COc1c(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cccc1[N+](=O)[O-] ZINC000476341774 891245984 /nfs/dbraw/zinc/24/59/84/891245984.db2.gz LKRUJUSIGIUASP-LBPRGKRZSA-N 0 0 411.241 4.204 20 5 HIBDRN Cc1ccc(NC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1[N+](=O)[O-] ZINC000476345977 891250170 /nfs/dbraw/zinc/25/01/70/891250170.db2.gz FNMRLPJQCRXQPF-SJORKVTESA-N 0 0 410.257 4.332 20 5 HIBDRN C[C@H](NC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccccc1[N+](=O)[O-] ZINC000504819831 913537918 /nfs/dbraw/zinc/53/79/18/913537918.db2.gz RCTFAPJNJFTNBW-LBPRGKRZSA-N 0 0 408.380 4.355 20 5 HIBDRN O=C(NC[C@H]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000476533947 891447684 /nfs/dbraw/zinc/44/76/84/891447684.db2.gz LRAKCTOYEAWFEM-WFASDCNBSA-N 0 0 406.891 4.290 20 5 HIBDRN CC1(C)CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC000476663697 891610738 /nfs/dbraw/zinc/61/07/38/891610738.db2.gz ZNFLWBOYQJPXMT-GOSISDBHSA-N 0 0 422.407 4.420 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3csc(-c4cnccn4)n3)n2)cc1[N+](=O)[O-] ZINC000476676554 891626444 /nfs/dbraw/zinc/62/64/44/891626444.db2.gz OTWJCBRYCZXOAB-UHFFFAOYSA-N 0 0 424.467 4.193 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@@H]1C ZINC000476783363 891763758 /nfs/dbraw/zinc/76/37/58/891763758.db2.gz XZJUAZNJOCTDNT-WMLDXEAASA-N 0 0 420.531 4.148 20 5 HIBDRN Cc1cc(-n2cncn2)ccc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000476819601 891804255 /nfs/dbraw/zinc/80/42/55/891804255.db2.gz OBRJVIFDHICGMQ-UHFFFAOYSA-N 0 0 413.437 4.331 20 5 HIBDRN C[C@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000476849920 891821701 /nfs/dbraw/zinc/82/17/01/891821701.db2.gz RATWLWCIHDALCM-SGTLLEGYSA-N 0 0 407.829 4.231 20 5 HIBDRN C[C@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000476849918 891821712 /nfs/dbraw/zinc/82/17/12/891821712.db2.gz RATWLWCIHDALCM-KPZWWZAWSA-N 0 0 407.829 4.231 20 5 HIBDRN O=C(NC[C@@H]1CCCC1=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000476917077 891867440 /nfs/dbraw/zinc/86/74/40/891867440.db2.gz ACYCXVQPABAISF-LBPRGKRZSA-N 0 0 404.875 4.498 20 5 HIBDRN CCn1c(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)nc2cccnc21 ZINC000476934114 891877712 /nfs/dbraw/zinc/87/77/12/891877712.db2.gz VLDFKTSIBBGNBY-GASCZTMLSA-N 0 0 422.489 4.094 20 5 HIBDRN CCn1c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)nc2cccnc21 ZINC000476934118 891878014 /nfs/dbraw/zinc/87/80/14/891878014.db2.gz VLDFKTSIBBGNBY-HUUCEWRRSA-N 0 0 422.489 4.094 20 5 HIBDRN C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000476981081 891908053 /nfs/dbraw/zinc/90/80/53/891908053.db2.gz KJXQBFLCYCXUIZ-MRXNPFEDSA-N 0 0 421.457 4.254 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H]3C[C@H](C)O)cc2[N+](=O)[O-])cc1 ZINC000504878080 913607208 /nfs/dbraw/zinc/60/72/08/913607208.db2.gz YKAIFSNEVIBJNV-DOTOQJQBSA-N 0 0 400.500 4.430 20 5 HIBDRN COc1cccc(Cl)c1-c1noc(C)c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000477020306 891948344 /nfs/dbraw/zinc/94/83/44/891948344.db2.gz JHKXJLRFCNTYCP-UHFFFAOYSA-N 0 0 415.833 4.459 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)cc1 ZINC000477033287 891958411 /nfs/dbraw/zinc/95/84/11/891958411.db2.gz UWERBKIJIUPZTE-LJQANCHMSA-N 0 0 421.434 4.208 20 5 HIBDRN COC(=O)c1cc(C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000504882068 913613174 /nfs/dbraw/zinc/61/31/74/913613174.db2.gz LWRYIGAZUYRDSJ-SNVBAGLBSA-N 0 0 411.241 4.049 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000477093600 892027174 /nfs/dbraw/zinc/02/71/74/892027174.db2.gz USYNDDMECSWMDI-UHFFFAOYSA-N 0 0 411.408 4.082 20 5 HIBDRN O=C(c1ccc2nc(-c3ccccc3)oc2c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000477096540 892031241 /nfs/dbraw/zinc/03/12/41/892031241.db2.gz ZNDIGTRXYZYXIO-UHFFFAOYSA-N 0 0 417.425 4.077 20 5 HIBDRN O=C(Nc1ccc(C(=O)NCc2ccccc2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000477109260 892040814 /nfs/dbraw/zinc/04/08/14/892040814.db2.gz SXFVTVPZXGCAIF-UHFFFAOYSA-N 0 0 414.421 4.258 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCCC23CCOCC3)cc(Br)cc1[N+](=O)[O-] ZINC000504895504 913628575 /nfs/dbraw/zinc/62/85/75/913628575.db2.gz OQRJJKDDMBYIAO-OAHLLOKOSA-N 0 0 412.284 4.137 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000477256960 892209085 /nfs/dbraw/zinc/20/90/85/892209085.db2.gz FBXCXGMZYLGLHU-UHFFFAOYSA-N 0 0 402.756 4.384 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000477322744 892289781 /nfs/dbraw/zinc/28/97/81/892289781.db2.gz TUDABDAAAHQFGG-UHFFFAOYSA-N 0 0 406.263 4.118 20 5 HIBDRN CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1 ZINC000477334009 892302710 /nfs/dbraw/zinc/30/27/10/892302710.db2.gz SFCCNWWCFZPJAG-UHFFFAOYSA-N 0 0 409.255 4.133 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000477375372 892337346 /nfs/dbraw/zinc/33/73/46/892337346.db2.gz QGCREEFWSHBWJL-UHFFFAOYSA-N 0 0 421.240 4.233 20 5 HIBDRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Br)ccc1[N+](=O)[O-] ZINC000477403977 892357999 /nfs/dbraw/zinc/35/79/99/892357999.db2.gz KPQHOOCRBRMTEV-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000477444870 892394495 /nfs/dbraw/zinc/39/44/95/892394495.db2.gz OSQYXRFYBGFVMO-OAHLLOKOSA-N 0 0 408.813 4.126 20 5 HIBDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477460597 892426728 /nfs/dbraw/zinc/42/67/28/892426728.db2.gz CVMSYAOCPKLEDI-UHFFFAOYSA-N 0 0 413.449 4.096 20 5 HIBDRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000504924202 913663870 /nfs/dbraw/zinc/66/38/70/913663870.db2.gz KZNQHCCKRKRLLF-KRWDZBQOSA-N 0 0 419.275 4.272 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CNC3(c4cccc(C(F)(F)F)c4)CC3)n2)c1 ZINC000477481863 892471399 /nfs/dbraw/zinc/47/13/99/892471399.db2.gz GLDFQHGHMHJVPH-UHFFFAOYSA-N 0 0 404.348 4.443 20 5 HIBDRN Cc1ccnc(-c2ccc(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000477503077 892512096 /nfs/dbraw/zinc/51/20/96/892512096.db2.gz UNDUNESWJJQIQI-UHFFFAOYSA-N 0 0 411.849 4.378 20 5 HIBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccc(OCc2ccccc2)cc1 ZINC000477517730 892533345 /nfs/dbraw/zinc/53/33/45/892533345.db2.gz AYVYUUUYORQHCN-UHFFFAOYSA-N 0 0 415.243 4.146 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCc1ccc(F)cn1)c1ccccc1 ZINC000477521670 892543047 /nfs/dbraw/zinc/54/30/47/892543047.db2.gz RFSQPXRPFAOJLE-IBGZPJMESA-N 0 0 414.824 4.252 20 5 HIBDRN CC1(C)C(=O)Nc2ccc(C(=O)COc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc21 ZINC000477554176 892601391 /nfs/dbraw/zinc/60/13/91/892601391.db2.gz AOPDSCASXKXNJB-UHFFFAOYSA-N 0 0 408.332 4.105 20 5 HIBDRN Cc1nccn1-c1ccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1F ZINC000477622496 892731551 /nfs/dbraw/zinc/73/15/51/892731551.db2.gz QVUBGPRWXBLUFE-UHFFFAOYSA-N 0 0 402.813 4.120 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2csnn2)cc1 ZINC000477624096 892735983 /nfs/dbraw/zinc/73/59/83/892735983.db2.gz TTZMXQWGQIOFRK-UHFFFAOYSA-N 0 0 403.851 4.131 20 5 HIBDRN Cc1cc(NC(=O)c2nc(-c3ccccc3)cs2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000477653952 892783697 /nfs/dbraw/zinc/78/36/97/892783697.db2.gz RMLKKEIAMOXZJX-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CCCCCn1cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)n1 ZINC000504961475 913700085 /nfs/dbraw/zinc/70/00/85/913700085.db2.gz IICVELNXVYPBGG-UHFFFAOYSA-N 0 0 401.511 4.410 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1csc(-c2ccco2)n1 ZINC000477665502 892801765 /nfs/dbraw/zinc/80/17/65/892801765.db2.gz KWHKHRHLSNIDDJ-UHFFFAOYSA-N 0 0 400.460 4.133 20 5 HIBDRN Cc1cccc(CC2(O)CCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000477708753 892820766 /nfs/dbraw/zinc/82/07/66/892820766.db2.gz XCCAXUZYHKWTTB-UHFFFAOYSA-N 0 0 402.878 4.075 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccccc2-c2csc(C)n2)cc([N+](=O)[O-])c1 ZINC000477713252 892822933 /nfs/dbraw/zinc/82/29/33/892822933.db2.gz NSABOHJPXFTWPI-UHFFFAOYSA-N 0 0 411.439 4.456 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCC(F)(F)F)Cc2ccccc2)s1 ZINC000477722080 892826559 /nfs/dbraw/zinc/82/65/59/892826559.db2.gz UZPAMHGAWVTSLK-UHFFFAOYSA-N 0 0 408.423 4.019 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000504965506 913702621 /nfs/dbraw/zinc/70/26/21/913702621.db2.gz NKCLKBZXFPSYOV-UHFFFAOYSA-N 0 0 417.315 4.005 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2cccc3c2CCO3)cc1[N+](=O)[O-])c1ccccn1 ZINC000477743032 892838930 /nfs/dbraw/zinc/83/89/30/892838930.db2.gz MHXVSYHJRWDBOO-AWEZNQCLSA-N 0 0 404.426 4.350 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000477815957 892884878 /nfs/dbraw/zinc/88/48/78/892884878.db2.gz CGYABKKFBIOQKP-WIYYLYMNSA-N 0 0 417.893 4.023 20 5 HIBDRN CC(C)Sc1ccccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477872423 892932044 /nfs/dbraw/zinc/93/20/44/892932044.db2.gz CLQDZFCUSZDXOR-UHFFFAOYSA-N 0 0 421.906 4.046 20 5 HIBDRN COc1ccc(N(CCC(C)C)C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000477912605 892990518 /nfs/dbraw/zinc/99/05/18/892990518.db2.gz YACCPBSMFHUAIE-UHFFFAOYSA-N 0 0 423.473 4.185 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(NC(=O)c2ccccc2)cn1 ZINC000477914217 892992441 /nfs/dbraw/zinc/99/24/41/892992441.db2.gz IIEURFIZBNNUBD-UHFFFAOYSA-N 0 0 404.426 4.420 20 5 HIBDRN CCN(C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[C@H](C)C(F)(F)F ZINC000477952026 893043073 /nfs/dbraw/zinc/04/30/73/893043073.db2.gz YDRMIGAIPZNXPF-MGPQQGTHSA-N 0 0 401.429 4.490 20 5 HIBDRN CCc1cc(Br)ccc1NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000477953085 893044453 /nfs/dbraw/zinc/04/44/53/893044453.db2.gz BQOQNDQLAJPZQB-UHFFFAOYSA-N 0 0 408.252 4.250 20 5 HIBDRN CCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)C(F)(F)F ZINC000477995273 893096801 /nfs/dbraw/zinc/09/68/01/893096801.db2.gz OEEUMAXAUHBQFT-VIFPVBQESA-N 0 0 401.307 4.215 20 5 HIBDRN CCOC[C@H]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000478047081 893190255 /nfs/dbraw/zinc/19/02/55/893190255.db2.gz LRMDFIBIQOCLNO-YWZLYKJASA-N 0 0 417.893 4.286 20 5 HIBDRN C[C@@H](CC1CCCCC1)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000478088664 893253107 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PQEZOSDSFCVJHZ-ZBFHGGJFSA-N 0 0 402.422 4.207 20 5 HIBDRN O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000478260012 893443889 /nfs/dbraw/zinc/44/38/89/893443889.db2.gz QLBXJVOCVJVPKX-ICSRJNTNSA-N 0 0 411.477 4.403 20 5 HIBDRN COC(=O)c1cnc(Sc2nnc(Nc3ccc(C)c(C)c3)s2)c([N+](=O)[O-])c1 ZINC000478293805 893507763 /nfs/dbraw/zinc/50/77/63/893507763.db2.gz MQPTVSWYRWPQCE-UHFFFAOYSA-N 0 0 417.472 4.140 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(CCc2ccccc2)no1 ZINC000505039854 913779316 /nfs/dbraw/zinc/77/93/16/913779316.db2.gz QVJVVYZCNIMCAZ-UHFFFAOYSA-N 0 0 406.364 4.436 20 5 HIBDRN CCC1(Cc2ccccc2)CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000478330517 893565565 /nfs/dbraw/zinc/56/55/65/893565565.db2.gz PINFEZUTVSTIKH-UHFFFAOYSA-N 0 0 412.486 4.487 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000478337875 893575024 /nfs/dbraw/zinc/57/50/24/893575024.db2.gz IWQCKCFAQQAQIG-ZIAGYGMSSA-N 0 0 404.488 4.278 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000505062193 913800661 /nfs/dbraw/zinc/80/06/61/913800661.db2.gz KGFPNQYFSIYTSS-YVEFUNNKSA-N 0 0 417.874 4.378 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000478497082 893812908 /nfs/dbraw/zinc/81/29/08/893812908.db2.gz YWZZLXJWPOGLOT-INIZCTEOSA-N 0 0 416.783 4.049 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3nc[nH]n3)no2)ccc1Sc1nc2ccccc2s1 ZINC000505084293 913810518 /nfs/dbraw/zinc/81/05/18/913810518.db2.gz WDXPUDJQBMTYAA-UHFFFAOYSA-N 0 0 423.439 4.191 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000478575315 893855862 /nfs/dbraw/zinc/85/58/62/893855862.db2.gz XFBFYIYGZBMKOP-KOMQPUFPSA-N 0 0 411.845 4.238 20 5 HIBDRN COc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(OC)c(C)c1OC ZINC000478616663 893878480 /nfs/dbraw/zinc/87/84/80/893878480.db2.gz SSHNXVDCNZGKSO-GFCCVEGCSA-N 0 0 406.460 4.048 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3[C@@H]3CCCC3=O)cc2[N+](=O)[O-])C1 ZINC000478625909 893882841 /nfs/dbraw/zinc/88/28/41/893882841.db2.gz IWVOKMOLPKVUJZ-NBMJBFSESA-N 0 0 413.518 4.051 20 5 HIBDRN COc1cccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)c1OC1CCCC1 ZINC000478633517 893886797 /nfs/dbraw/zinc/88/67/97/893886797.db2.gz SNNQYPFLGCENCN-UHFFFAOYSA-N 0 0 413.474 4.233 20 5 HIBDRN COc1cccc(F)c1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000478644743 893893029 /nfs/dbraw/zinc/89/30/29/893893029.db2.gz IHOOVEXJDADBGV-UHFFFAOYSA-N 0 0 401.316 4.202 20 5 HIBDRN CC(C)c1ncc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 ZINC000478669075 893918299 /nfs/dbraw/zinc/91/82/99/893918299.db2.gz GRNDVINHQLNZAY-AWEZNQCLSA-N 0 0 406.446 4.329 20 5 HIBDRN Cc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1NC(=O)N(C)C ZINC000478671681 893923127 /nfs/dbraw/zinc/92/31/27/893923127.db2.gz MYDNHIHGSZITBN-UHFFFAOYSA-N 0 0 422.894 4.381 20 5 HIBDRN CC(C)c1ncc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cn1 ZINC000478678913 893931176 /nfs/dbraw/zinc/93/11/76/893931176.db2.gz WOXHKINZYPHTRU-UHFFFAOYSA-N 0 0 421.244 4.253 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000478699607 893961809 /nfs/dbraw/zinc/96/18/09/893961809.db2.gz IFMKZRDEFNPVOJ-UHFFFAOYSA-N 0 0 409.423 4.160 20 5 HIBDRN COc1ccccc1Nc1ccccc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000505116413 913824964 /nfs/dbraw/zinc/82/49/64/913824964.db2.gz ANFRSCWHVCGYOB-UHFFFAOYSA-N 0 0 421.457 4.021 20 5 HIBDRN CCOc1cc(OCC(=O)Nc2cccc(-c3csc(C)n3)c2)ccc1[N+](=O)[O-] ZINC000478732056 894005899 /nfs/dbraw/zinc/00/58/99/894005899.db2.gz JXQRRXMNHCUJTB-UHFFFAOYSA-N 0 0 413.455 4.443 20 5 HIBDRN O=C(c1cnn(-c2ccc(C(F)(F)F)cc2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000505122697 913828542 /nfs/dbraw/zinc/82/85/42/913828542.db2.gz CLVDBFXSQADYQO-UHFFFAOYSA-N 0 0 402.332 4.002 20 5 HIBDRN C[C@H](NC(=O)N1CCc2cc(Br)cc(F)c21)c1cccc([N+](=O)[O-])c1 ZINC000478795729 894070285 /nfs/dbraw/zinc/07/02/85/894070285.db2.gz KWVQLNAMHFNAKW-JTQLQIEISA-N 0 0 408.227 4.330 20 5 HIBDRN Cc1c(CNC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cccc1[N+](=O)[O-] ZINC000478804279 894078115 /nfs/dbraw/zinc/07/81/15/894078115.db2.gz IDWFJOSZHWHWQW-UHFFFAOYSA-N 0 0 417.893 4.104 20 5 HIBDRN CCO[C@H]1C[C@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000478809682 894083258 /nfs/dbraw/zinc/08/32/58/894083258.db2.gz CPQMTCBSVMVWPC-IRXDYDNUSA-N 0 0 401.488 4.138 20 5 HIBDRN Cc1c(CNC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cccc1[N+](=O)[O-] ZINC000478835453 894114057 /nfs/dbraw/zinc/11/40/57/894114057.db2.gz WHXMLTZSSMEFAX-UHFFFAOYSA-N 0 0 410.405 4.229 20 5 HIBDRN O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000478841721 894121260 /nfs/dbraw/zinc/12/12/60/894121260.db2.gz VQDGSYCWMNYTNJ-UHFFFAOYSA-N 0 0 421.482 4.347 20 5 HIBDRN COc1cc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000478881311 894159185 /nfs/dbraw/zinc/15/91/85/894159185.db2.gz FVBFQYDZLIEADB-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000478883975 894163282 /nfs/dbraw/zinc/16/32/82/894163282.db2.gz BNNLYLXEOQYCBF-ZUZCIYMTSA-N 0 0 412.190 4.313 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000505148246 913842391 /nfs/dbraw/zinc/84/23/91/913842391.db2.gz GROSEMGCDZEZFE-FZKQIMNGSA-N 0 0 406.891 4.329 20 5 HIBDRN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c(F)cc1[N+](=O)[O-] ZINC000478893787 894175135 /nfs/dbraw/zinc/17/51/35/894175135.db2.gz BUYCHQZLFIBEDP-NSHDSACASA-N 0 0 416.327 4.197 20 5 HIBDRN CCCc1n[nH]c(C(=O)N2CCC(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000505151732 913845592 /nfs/dbraw/zinc/84/55/92/913845592.db2.gz SCZSIFFPLFRPTH-UHFFFAOYSA-N 0 0 421.295 4.053 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccnc(OCc3ccccc3)c2)c1 ZINC000478915142 894195289 /nfs/dbraw/zinc/19/52/89/894195289.db2.gz UMOSAEWSINXOOF-UHFFFAOYSA-N 0 0 409.467 4.221 20 5 HIBDRN CCCC(=O)Nc1ccc(Cl)c(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000478942207 894223568 /nfs/dbraw/zinc/22/35/68/894223568.db2.gz XDIQOKXMGCIRCX-KRWDZBQOSA-N 0 0 416.865 4.204 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000478952995 894235173 /nfs/dbraw/zinc/23/51/73/894235173.db2.gz LJWMDJBQNNPKHR-UHFFFAOYSA-N 0 0 419.528 4.139 20 5 HIBDRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000479084772 894351026 /nfs/dbraw/zinc/35/10/26/894351026.db2.gz KUIMPZHSOFNVJO-UHFFFAOYSA-N 0 0 406.394 4.213 20 5 HIBDRN O=C(N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000505181198 913867188 /nfs/dbraw/zinc/86/71/88/913867188.db2.gz ZQPLXMXCHLILPN-IBGZPJMESA-N 0 0 414.421 4.392 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCc3cc(Br)cc(F)c32)c1 ZINC000479152044 894421718 /nfs/dbraw/zinc/42/17/18/894421718.db2.gz HUXOVGNNFCJNNU-UHFFFAOYSA-N 0 0 411.252 4.421 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2C(=O)COc2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC000479177407 894445075 /nfs/dbraw/zinc/44/50/75/894445075.db2.gz CWGGOPVLJYNGOT-GOSISDBHSA-N 0 0 402.422 4.184 20 5 HIBDRN Cc1onc(-c2ccccc2)c1-c1nnc(COc2nc(C)cc(C)c2[N+](=O)[O-])o1 ZINC000479181653 894449349 /nfs/dbraw/zinc/44/93/49/894449349.db2.gz IYXPVZNHZJHNMV-UHFFFAOYSA-N 0 0 407.386 4.199 20 5 HIBDRN O=[N+]([O-])c1nn(Cc2nc(-c3c(F)cccc3F)cs2)cc1Br ZINC000479229410 894490629 /nfs/dbraw/zinc/49/06/29/894490629.db2.gz ZMRDDXWNYWPMKN-UHFFFAOYSA-N 0 0 401.192 4.004 20 5 HIBDRN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1nc(-c2ccccc2Cl)cs1 ZINC000479228671 894490877 /nfs/dbraw/zinc/49/08/77/894490877.db2.gz SLRVEJICFAIYJW-UHFFFAOYSA-N 0 0 414.830 4.237 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1[N+](=O)[O-] ZINC000505194762 913875258 /nfs/dbraw/zinc/87/52/58/913875258.db2.gz CWACGKIHPFGOLF-DLBZAZTESA-N 0 0 402.472 4.251 20 5 HIBDRN COC(=O)[C@@](C)(NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(Cl)c(Cl)c1 ZINC000479261236 894528904 /nfs/dbraw/zinc/52/89/04/894528904.db2.gz RPVLYNQYTJTLME-SFHVURJKSA-N 0 0 411.241 4.028 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)cc1[N+](=O)[O-] ZINC000505199309 913878920 /nfs/dbraw/zinc/87/89/20/913878920.db2.gz VTLVJELIILUHCJ-LBPRGKRZSA-N 0 0 404.854 4.141 20 5 HIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000479272504 894547320 /nfs/dbraw/zinc/54/73/20/894547320.db2.gz RDHGFYHGYYBNCH-GOSISDBHSA-N 0 0 403.797 4.082 20 5 HIBDRN C[C@H]1CC(C)(C)N(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc21 ZINC000479312625 894599188 /nfs/dbraw/zinc/59/91/88/894599188.db2.gz SZIZXRJCFQSBDC-ZDUSSCGKSA-N 0 0 413.499 4.105 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)c(Cl)c1 ZINC000479366493 894666267 /nfs/dbraw/zinc/66/62/67/894666267.db2.gz UUYIWMUYHJGBGQ-UHFFFAOYSA-N 0 0 422.626 4.048 20 5 HIBDRN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000505223855 913891394 /nfs/dbraw/zinc/89/13/94/913891394.db2.gz MAXAPORWGBJDOL-UHFFFAOYSA-N 0 0 409.364 4.103 20 5 HIBDRN CCC(=O)c1ccc(N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c([N+](=O)[O-])c1 ZINC000479384965 894685994 /nfs/dbraw/zinc/68/59/94/894685994.db2.gz XYHVFJBMDZFCGD-AWEZNQCLSA-N 0 0 411.458 4.018 20 5 HIBDRN COc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000479400618 894705480 /nfs/dbraw/zinc/70/54/80/894705480.db2.gz AUTFGQORXIOKAJ-UHFFFAOYSA-N 0 0 404.728 4.293 20 5 HIBDRN COc1ccc(NC(=O)CNc2cccc(Cl)c2Br)c([N+](=O)[O-])c1 ZINC000479463745 894786269 /nfs/dbraw/zinc/78/62/69/894786269.db2.gz MAVDORLZLXOKNS-UHFFFAOYSA-N 0 0 414.643 4.070 20 5 HIBDRN CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000479469062 894792485 /nfs/dbraw/zinc/79/24/85/894792485.db2.gz OQSPBVTVGWDNMM-UHFFFAOYSA-N 0 0 411.867 4.096 20 5 HIBDRN COc1cccc(NC(=O)[C@H](NCc2cccc([N+](=O)[O-])c2C)c2ccccc2)c1 ZINC000479506345 894821702 /nfs/dbraw/zinc/82/17/02/894821702.db2.gz XRSDVVGJBVITFI-JOCHJYFZSA-N 0 0 405.454 4.381 20 5 HIBDRN O=C(Nc1ccc(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc1)c1ccccc1 ZINC000479536463 894841217 /nfs/dbraw/zinc/84/12/17/894841217.db2.gz DYGFXBXHHCJTAH-ROUUACIJSA-N 0 0 406.446 4.034 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000505256457 913909988 /nfs/dbraw/zinc/90/99/88/913909988.db2.gz AAMJFXKRSZLUNW-UHFFFAOYSA-N 0 0 420.347 4.207 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000479670780 894948979 /nfs/dbraw/zinc/94/89/79/894948979.db2.gz DGSIFGAASKOGKM-BUXKBTBVSA-N 0 0 422.865 4.162 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000479706388 895001257 /nfs/dbraw/zinc/00/12/57/895001257.db2.gz LMERVUHOGGAKIJ-QMMMGPOBSA-N 0 0 404.776 4.115 20 5 HIBDRN C[C@H](SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)OC(C)(C)C ZINC000479720449 895017740 /nfs/dbraw/zinc/01/77/40/895017740.db2.gz UYZUEMCAMPFABR-NSHDSACASA-N 0 0 423.516 4.120 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)Oc4c(F)cccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000479722056 895020228 /nfs/dbraw/zinc/02/02/28/895020228.db2.gz RLDSDSUZYTZDLV-CYBMUJFWSA-N 0 0 424.432 4.023 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000479727085 895023917 /nfs/dbraw/zinc/02/39/17/895023917.db2.gz KOTAWJBTYHDKLI-RBZFPXEDSA-N 0 0 401.850 4.095 20 5 HIBDRN O=C(NCc1ncoc1-c1ccccc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000479743502 895042696 /nfs/dbraw/zinc/04/26/96/895042696.db2.gz IWEGDTBMGIBCJB-UHFFFAOYSA-N 0 0 422.441 4.003 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)n1 ZINC000479804086 895109887 /nfs/dbraw/zinc/10/98/87/895109887.db2.gz MNQSDNHWEHYGMI-QGZVFWFLSA-N 0 0 417.469 4.229 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000479808502 895116069 /nfs/dbraw/zinc/11/60/69/895116069.db2.gz BWMYOIOVVQMPGR-FKIZINRSSA-N 0 0 401.850 4.164 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC000479815489 895127214 /nfs/dbraw/zinc/12/72/14/895127214.db2.gz WFDCRQVOXLYOEQ-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)cc([N+](=O)[O-])c1C ZINC000479827279 895144806 /nfs/dbraw/zinc/14/48/06/895144806.db2.gz JAIJEDGJSFFGDD-UHFFFAOYSA-N 0 0 411.458 4.145 20 5 HIBDRN CCc1onc(-c2ccccc2)c1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000479860658 895196362 /nfs/dbraw/zinc/19/63/62/895196362.db2.gz PBFQTFRTYQSJTB-UHFFFAOYSA-N 0 0 403.398 4.455 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(COCCOC(C)C)c2)cc([N+](=O)[O-])c1C ZINC000479926070 895273526 /nfs/dbraw/zinc/27/35/26/895273526.db2.gz GBAQTXBXMIRPAX-UHFFFAOYSA-N 0 0 402.447 4.106 20 5 HIBDRN CCOc1cc(NC(=O)Nc2ccn(CCC(C)C)n2)c([N+](=O)[O-])cc1OCC ZINC000479937722 895287189 /nfs/dbraw/zinc/28/71/89/895287189.db2.gz GVTLKBIKIPNBSS-UHFFFAOYSA-N 0 0 405.455 4.279 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1cc(Br)ccc1OC(F)F ZINC000479952655 895304952 /nfs/dbraw/zinc/30/49/52/895304952.db2.gz DLFLYYTYPCFIOQ-UHFFFAOYSA-N 0 0 405.199 4.096 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000480006921 895359476 /nfs/dbraw/zinc/35/94/76/895359476.db2.gz BCFJHMOOASTEOS-UHFFFAOYSA-N 0 0 419.283 4.065 20 5 HIBDRN COc1cc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)cc([N+](=O)[O-])c1C ZINC000480036537 895385271 /nfs/dbraw/zinc/38/52/71/895385271.db2.gz IUUTUHIUGGEDOY-UHFFFAOYSA-N 0 0 404.835 4.336 20 5 HIBDRN Cc1ccccc1[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[C@@H](C)CO1 ZINC000480041581 895389392 /nfs/dbraw/zinc/38/93/92/895389392.db2.gz HLADURNXXWMYHK-HTAPYJJXSA-N 0 0 409.486 4.106 20 5 HIBDRN CCOc1cc(CN(C)C(=O)NCc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F ZINC000480061144 895408905 /nfs/dbraw/zinc/40/89/05/895408905.db2.gz OVXLZYMYQGVSPV-UHFFFAOYSA-N 0 0 423.416 4.245 20 5 HIBDRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000480062506 895411532 /nfs/dbraw/zinc/41/15/32/895411532.db2.gz ACYIKPIOPZNKME-NRFANRHFSA-N 0 0 411.502 4.145 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000480064459 895413148 /nfs/dbraw/zinc/41/31/48/895413148.db2.gz VWNVHECWVPIFHZ-UHFFFAOYSA-N 0 0 410.474 4.287 20 5 HIBDRN CCc1nc2ccccc2n1C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000480066352 895415604 /nfs/dbraw/zinc/41/56/04/895415604.db2.gz DQPBLZWGTBMDSJ-UHFFFAOYSA-N 0 0 421.501 4.362 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccccn2)Cc2ccccc2C)cc([N+](=O)[O-])c1C ZINC000480144188 895525482 /nfs/dbraw/zinc/52/54/82/895525482.db2.gz NNXTUIBKVFFHQX-UHFFFAOYSA-N 0 0 405.454 4.458 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c1 ZINC000505321967 913982787 /nfs/dbraw/zinc/98/27/87/913982787.db2.gz AUDKJECIGVTRED-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN Cc1csc2c1ncnc2Oc1ccc(I)cc1[N+](=O)[O-] ZINC000480202279 895600297 /nfs/dbraw/zinc/60/02/97/895600297.db2.gz UQRXVNXWWWNMGI-UHFFFAOYSA-N 0 0 413.196 4.305 20 5 HIBDRN CCCOc1ccc(CN(Cc2ccccc2)C(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 ZINC000480268793 895677241 /nfs/dbraw/zinc/67/72/41/895677241.db2.gz TXJUHXHDOBURMI-UHFFFAOYSA-N 0 0 422.485 4.118 20 5 HIBDRN CC1(c2ccc(Cl)cc2)CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000480342953 895748644 /nfs/dbraw/zinc/74/86/44/895748644.db2.gz JJGPPJIBMVHRRL-UHFFFAOYSA-N 0 0 408.907 4.210 20 5 HIBDRN O=C(NCc1ccccc1COCc1ccccc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000480349618 895754220 /nfs/dbraw/zinc/75/42/20/895754220.db2.gz UJDHUBJHKZQAAX-UHFFFAOYSA-N 0 0 416.437 4.118 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(OCC(F)F)cc1 ZINC000480353956 895760478 /nfs/dbraw/zinc/76/04/78/895760478.db2.gz NBAPOEPWGADEKX-UHFFFAOYSA-N 0 0 408.404 4.437 20 5 HIBDRN CCCc1c(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000480367273 895774599 /nfs/dbraw/zinc/77/45/99/895774599.db2.gz OSSOWTRQTFMJAR-UHFFFAOYSA-N 0 0 407.474 4.439 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000480532740 895894737 /nfs/dbraw/zinc/89/47/37/895894737.db2.gz VZTFEKZQOSTMQC-HXPMCKFVSA-N 0 0 404.850 4.167 20 5 HIBDRN CSc1ccccc1CN(C)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000480553897 895915635 /nfs/dbraw/zinc/91/56/35/895915635.db2.gz NAWCULTZSHAGPD-UHFFFAOYSA-N 0 0 416.890 4.152 20 5 HIBDRN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000480672833 896036219 /nfs/dbraw/zinc/03/62/19/896036219.db2.gz VHRWJGQVSPNWOC-OAHLLOKOSA-N 0 0 422.485 4.113 20 5 HIBDRN CC(C)(C)n1ncnc1CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000505364516 914028308 /nfs/dbraw/zinc/02/83/08/914028308.db2.gz RDEMUMVZSAMCCC-UHFFFAOYSA-N 0 0 410.434 4.055 20 5 HIBDRN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000480739201 896100559 /nfs/dbraw/zinc/10/05/59/896100559.db2.gz MCHGPGPIXGRNRJ-GFCCVEGCSA-N 0 0 402.394 4.048 20 5 HIBDRN COC(=O)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000480741231 896102582 /nfs/dbraw/zinc/10/25/82/896102582.db2.gz NAIXMOUJSYHTDN-UHFFFAOYSA-N 0 0 414.483 4.161 20 5 HIBDRN Cc1cc(NC(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000480766394 896129466 /nfs/dbraw/zinc/12/94/66/896129466.db2.gz SISUKWAHOYBIQP-FQEVSTJZSA-N 0 0 424.501 4.039 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000480776039 896140182 /nfs/dbraw/zinc/14/01/82/896140182.db2.gz KEHBATLQEDSPQL-CQSZACIVSA-N 0 0 419.441 4.433 20 5 HIBDRN O=C(Nc1ccccc1NCC(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000480800924 896168542 /nfs/dbraw/zinc/16/85/42/896168542.db2.gz AGBGEORKVCQCRZ-UHFFFAOYSA-N 0 0 405.336 4.007 20 5 HIBDRN Cc1cccc(CC2(O)CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000480810439 896178433 /nfs/dbraw/zinc/17/84/33/896178433.db2.gz GBZMSNWBTRUILM-UHFFFAOYSA-N 0 0 418.497 4.243 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000480845092 896216166 /nfs/dbraw/zinc/21/61/66/896216166.db2.gz XJEJQNUKUPDLNS-GFCCVEGCSA-N 0 0 421.316 4.423 20 5 HIBDRN C[C@@H](NC(=O)NCc1ccncc1OCCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000480948484 896292899 /nfs/dbraw/zinc/29/28/99/896292899.db2.gz BCWXJTIJYSMNIS-OAHLLOKOSA-N 0 0 400.479 4.365 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N[C@@H]3CCO[C@@H](C(C)(C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000480985702 896319801 /nfs/dbraw/zinc/31/98/01/896319801.db2.gz SPFPEYNMZLOHAP-YLJYHZDGSA-N 0 0 403.523 4.155 20 5 HIBDRN CC(C)(C(=O)N1CCc2cc(Br)ccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000480987170 896320076 /nfs/dbraw/zinc/32/00/76/896320076.db2.gz YKWMRBGBZVQUGI-UHFFFAOYSA-N 0 0 403.276 4.220 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N[C@H]3CCO[C@H](C(C)(C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000480985700 896320487 /nfs/dbraw/zinc/32/04/87/896320487.db2.gz SPFPEYNMZLOHAP-PXNSSMCTSA-N 0 0 403.523 4.155 20 5 HIBDRN CC(C)(C)[C@@H]1C[C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000480997919 896331000 /nfs/dbraw/zinc/33/10/00/896331000.db2.gz FUQYKSCUFRNBOL-CJNGLKHVSA-N 0 0 417.428 4.126 20 5 HIBDRN CCS[C@H]1CCC[C@@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000481020471 896351106 /nfs/dbraw/zinc/35/11/06/896351106.db2.gz QLMJCKHENLRKTD-AAEUAGOBSA-N 0 0 408.467 4.496 20 5 HIBDRN C[C@H](NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000481021641 896351670 /nfs/dbraw/zinc/35/16/70/896351670.db2.gz VUJGTIGEKFQHDH-OXNYHJJDSA-N 0 0 424.284 4.262 20 5 HIBDRN CC[C@H](NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000481025378 896354127 /nfs/dbraw/zinc/35/41/27/896354127.db2.gz PWEAHTRRWYSRJC-JTQLQIEISA-N 0 0 423.438 4.117 20 5 HIBDRN O=[N+]([O-])c1c(N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)nc2sccn21 ZINC000481046423 896371921 /nfs/dbraw/zinc/37/19/21/896371921.db2.gz HIGHKOVWKHVFCM-SNVBAGLBSA-N 0 0 406.773 4.122 20 5 HIBDRN Cc1nc(N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000481061934 896384299 /nfs/dbraw/zinc/38/42/99/896384299.db2.gz RVPSHZDQEHXXEB-GFCCVEGCSA-N 0 0 420.185 4.225 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c1[N+](=O)[O-] ZINC000481066915 896387226 /nfs/dbraw/zinc/38/72/26/896387226.db2.gz AZBLYVGGXVZJCU-AWEZNQCLSA-N 0 0 402.394 4.184 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(CO)Cc1ccccc1 ZINC000481091860 896411791 /nfs/dbraw/zinc/41/17/91/896411791.db2.gz PDCJJGDKWNIPTH-NRFANRHFSA-N 0 0 402.516 4.066 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000505399465 914064970 /nfs/dbraw/zinc/06/49/70/914064970.db2.gz ISMHKABILUDBKM-MRXNPFEDSA-N 0 0 412.471 4.427 20 5 HIBDRN O=C(NCCc1ccccn1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000481133896 896460679 /nfs/dbraw/zinc/46/06/79/896460679.db2.gz IVNULLIDPBXBHF-UHFFFAOYSA-N 0 0 410.861 4.228 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(OCC(F)F)cc2)cc1[N+](=O)[O-] ZINC000481220541 896573266 /nfs/dbraw/zinc/57/32/66/896573266.db2.gz SVYYDOGZIDFHKF-UHFFFAOYSA-N 0 0 412.414 4.119 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000505423345 914087652 /nfs/dbraw/zinc/08/76/52/914087652.db2.gz SZWDARDMBSCNSO-QGZVFWFLSA-N 0 0 413.302 4.248 20 5 HIBDRN Cc1cc2n[nH]cc2cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000481320344 896672244 /nfs/dbraw/zinc/67/22/44/896672244.db2.gz NHDADYAQFGWODY-UHFFFAOYSA-N 0 0 407.352 4.239 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000481329920 896689003 /nfs/dbraw/zinc/68/90/03/896689003.db2.gz JZHTVHHUAGAYBY-CQSZACIVSA-N 0 0 414.245 4.155 20 5 HIBDRN CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000481346372 896715790 /nfs/dbraw/zinc/71/57/90/896715790.db2.gz MWKQZKVHSOVGLF-GDBMZVCRSA-N 0 0 417.535 4.145 20 5 HIBDRN Cc1cc2n[nH]cc2cc1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000481362479 896742826 /nfs/dbraw/zinc/74/28/26/896742826.db2.gz VXROBYSMBYJJSZ-UHFFFAOYSA-N 0 0 404.376 4.397 20 5 HIBDRN CCCCc1noc([C@@H](C)Sc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)n1 ZINC000481362354 896742913 /nfs/dbraw/zinc/74/29/13/896742913.db2.gz FRWGGUSHQMVDDD-GFCCVEGCSA-N 0 0 402.480 4.452 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000481420619 896822758 /nfs/dbraw/zinc/82/27/58/896822758.db2.gz DLHWXRMKXSRECL-JOCHJYFZSA-N 0 0 402.454 4.369 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC2(CCOCC2)c2ccccc21 ZINC000481431738 896831932 /nfs/dbraw/zinc/83/19/32/896831932.db2.gz FVKKMKWYLNGLTH-UHFFFAOYSA-N 0 0 417.259 4.066 20 5 HIBDRN CC(C)Oc1cccc([C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000481451782 896848175 /nfs/dbraw/zinc/84/81/75/896848175.db2.gz YAGGMFRRGABUEV-QGZVFWFLSA-N 0 0 411.502 4.476 20 5 HIBDRN Cc1cccc(-n2ncc(C(=O)NCc3cccc([N+](=O)[O-])c3C)c2C(F)(F)F)c1 ZINC000481466127 896857948 /nfs/dbraw/zinc/85/79/48/896857948.db2.gz QAWURYFDHZZNTJ-UHFFFAOYSA-N 0 0 418.375 4.346 20 5 HIBDRN Cc1c(CNC(=O)Cc2c[nH]c3cccc(Br)c23)cccc1[N+](=O)[O-] ZINC000481487164 896868222 /nfs/dbraw/zinc/86/82/22/896868222.db2.gz AKGMJPDGTVOXIR-UHFFFAOYSA-N 0 0 402.248 4.006 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C)O[C@@H](C)C2 ZINC000481502656 896875585 /nfs/dbraw/zinc/87/55/85/896875585.db2.gz QIUFYYDIFSZWIP-IXDGSTSKSA-N 0 0 410.470 4.045 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000481599086 896978613 /nfs/dbraw/zinc/97/86/13/896978613.db2.gz OPVFKFBKWKKMDC-LJQANCHMSA-N 0 0 421.856 4.098 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c(F)c1 ZINC000481618089 897000765 /nfs/dbraw/zinc/00/07/65/897000765.db2.gz BAIJUUGXTBTDTC-QGZVFWFLSA-N 0 0 413.218 4.209 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc(Cl)c1F ZINC000481619123 897003602 /nfs/dbraw/zinc/00/36/02/897003602.db2.gz FJQVCSFQNUYCMK-UHFFFAOYSA-N 0 0 407.785 4.001 20 5 HIBDRN COC(=O)[C@](C)(NCc1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000481625868 897010515 /nfs/dbraw/zinc/01/05/15/897010515.db2.gz QAONAMZTJNOYDH-QGZVFWFLSA-N 0 0 401.221 4.219 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc([N+](=O)[O-])c1C ZINC000481790223 897170808 /nfs/dbraw/zinc/17/08/08/897170808.db2.gz SSBORNCZTOBTNC-UHFFFAOYSA-N 0 0 419.437 4.094 20 5 HIBDRN Cc1nc(-c2ccccc2C)sc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000481798084 897176070 /nfs/dbraw/zinc/17/60/70/897176070.db2.gz USSXLVKFZKCQBH-OAHLLOKOSA-N 0 0 423.498 4.057 20 5 HIBDRN CCN(CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1C ZINC000481801919 897178831 /nfs/dbraw/zinc/17/88/31/897178831.db2.gz VJDWQOHBOACTQX-UHFFFAOYSA-N 0 0 413.521 4.106 20 5 HIBDRN CCOc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2-c2ccco2)cc1 ZINC000481806904 897182440 /nfs/dbraw/zinc/18/24/40/897182440.db2.gz CEGYNYNYRMPYEK-UHFFFAOYSA-N 0 0 409.427 4.380 20 5 HIBDRN Cc1ccc(C(C)C)c(Oc2ccc(CNCC(=O)NCC(F)F)cc2[N+](=O)[O-])c1 ZINC000481820195 897193337 /nfs/dbraw/zinc/19/33/37/897193337.db2.gz YFSDEXRMXXNSMM-UHFFFAOYSA-N 0 0 421.444 4.290 20 5 HIBDRN Cc1ccc(OCCCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000481846951 897212774 /nfs/dbraw/zinc/21/27/74/897212774.db2.gz UIWITEIQQLFSTG-UHFFFAOYSA-N 0 0 412.486 4.441 20 5 HIBDRN Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1-c1ncco1 ZINC000481859176 897226014 /nfs/dbraw/zinc/22/60/14/897226014.db2.gz KXBQPPHVPXGUME-UHFFFAOYSA-N 0 0 406.442 4.413 20 5 HIBDRN O=C(NCCOCC(F)(F)F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000481897490 897275150 /nfs/dbraw/zinc/27/51/50/897275150.db2.gz FFHXUOIOVPAYSN-UHFFFAOYSA-N 0 0 400.378 4.055 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H](c3ccccc3)C(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000481916022 897299241 /nfs/dbraw/zinc/29/92/41/897299241.db2.gz BJNIMTAJHGXXDC-GOSISDBHSA-N 0 0 414.412 4.193 20 5 HIBDRN Cc1cc(Br)ccc1CSc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000481923058 897307852 /nfs/dbraw/zinc/30/78/52/897307852.db2.gz NJRZOETVAUFOFU-UHFFFAOYSA-N 0 0 416.318 4.362 20 5 HIBDRN CN(C(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000481942348 897329258 /nfs/dbraw/zinc/32/92/58/897329258.db2.gz GGRKSIHWQGQYSG-UHFFFAOYSA-N 0 0 422.441 4.012 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCOc2ccc3ccccc3c2)cc1SC ZINC000481965395 897355318 /nfs/dbraw/zinc/35/53/18/897355318.db2.gz HAOFYBHMDIDVRT-UHFFFAOYSA-N 0 0 412.467 4.287 20 5 HIBDRN Cc1cccc2nc(COc3ccc(Cc4ccccc4)cc3[N+](=O)[O-])cc(=O)n12 ZINC000481976553 897368733 /nfs/dbraw/zinc/36/87/33/897368733.db2.gz ZUBNGGGABAOPHB-UHFFFAOYSA-N 0 0 401.422 4.081 20 5 HIBDRN Cc1nc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(Cl)cc1Cl ZINC000481991300 897386784 /nfs/dbraw/zinc/38/67/84/897386784.db2.gz RTQYKMPQFSKWHI-UHFFFAOYSA-N 0 0 410.666 4.368 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000482017409 897420760 /nfs/dbraw/zinc/42/07/60/897420760.db2.gz VWTUPQWUYGMLMC-QMMMGPOBSA-N 0 0 404.776 4.115 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000505488851 914171414 /nfs/dbraw/zinc/17/14/14/914171414.db2.gz PAOZZIOGVVAQHI-OAHLLOKOSA-N 0 0 402.472 4.009 20 5 HIBDRN O=C(Nc1nc(-c2ccccc2F)co1)c1ccc([N+](=O)[O-])cc1Br ZINC000482134741 897592299 /nfs/dbraw/zinc/59/22/99/897592299.db2.gz MGLSKILDUCRSOE-UHFFFAOYSA-N 0 0 406.167 4.404 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000482171021 897636428 /nfs/dbraw/zinc/63/64/28/897636428.db2.gz SNWMAWUGSWVUEO-GOSISDBHSA-N 0 0 421.428 4.413 20 5 HIBDRN O=C(Nc1ccc(Cl)c(Br)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000482188866 897659220 /nfs/dbraw/zinc/65/92/20/897659220.db2.gz XSSKQVOYKAPENJ-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)cc1SC ZINC000482215276 897693958 /nfs/dbraw/zinc/69/39/58/897693958.db2.gz RCMHVNYYWJOFLN-ZYHUDNBSSA-N 0 0 406.426 4.424 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000482263975 897749319 /nfs/dbraw/zinc/74/93/19/897749319.db2.gz FICDQYJZHGUXFQ-MRXNPFEDSA-N 0 0 408.483 4.035 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H](C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000482271072 897757649 /nfs/dbraw/zinc/75/76/49/897757649.db2.gz VOURZDWXOICIGQ-GFCCVEGCSA-N 0 0 407.264 4.117 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[C@@H]1c1ccccc1 ZINC000482305523 897803373 /nfs/dbraw/zinc/80/33/73/897803373.db2.gz VKZPJQTWCFSJQX-HKUYNNGSSA-N 0 0 404.470 4.436 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2c(F)cc(F)cc2C1 ZINC000482338711 897846344 /nfs/dbraw/zinc/84/63/44/897846344.db2.gz SNWQPTDWICSFLR-UHFFFAOYSA-N 0 0 401.394 4.195 20 5 HIBDRN CN(Cc1ccc(Br)cc1Cl)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000482373351 897896742 /nfs/dbraw/zinc/89/67/42/897896742.db2.gz YIFDVYACTVPJJM-UHFFFAOYSA-N 0 0 416.634 4.004 20 5 HIBDRN Cn1cc([C@@H]2CSCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cn1 ZINC000482399566 897938088 /nfs/dbraw/zinc/93/80/88/897938088.db2.gz OZKAYUGNXHYWQY-FQEVSTJZSA-N 0 0 423.498 4.002 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1(Cc2cccc(F)c2)CCC1 ZINC000482473470 898049330 /nfs/dbraw/zinc/04/93/30/898049330.db2.gz DKOXGEMNBLCCFO-UHFFFAOYSA-N 0 0 421.266 4.321 20 5 HIBDRN COc1ccc(CSCC(=O)NC2(Cc3cccc(F)c3)CCC2)cc1[N+](=O)[O-] ZINC000482474797 898050938 /nfs/dbraw/zinc/05/09/38/898050938.db2.gz FZKWSEDKVMLRDL-UHFFFAOYSA-N 0 0 418.490 4.257 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CN3CCO[C@@H](c4ccccc4C(F)(F)F)C3)nc2c1 ZINC000482681659 898281326 /nfs/dbraw/zinc/28/13/26/898281326.db2.gz IMNDFDNURIWDGY-QGZVFWFLSA-N 0 0 406.364 4.063 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1SC ZINC000482680967 898281771 /nfs/dbraw/zinc/28/17/71/898281771.db2.gz QXKUXWOYRGLYJT-UHFFFAOYSA-N 0 0 403.460 4.172 20 5 HIBDRN CCOc1cc(NC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OCC ZINC000482699479 898298728 /nfs/dbraw/zinc/29/87/28/898298728.db2.gz NTBLTUGKSBJZOZ-AWEZNQCLSA-N 0 0 417.462 4.193 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cnn(-c3ccccc3C)c2CC)cc([N+](=O)[O-])c1 ZINC000482713750 898313219 /nfs/dbraw/zinc/31/32/19/898313219.db2.gz GMGCMVXJOBYYDI-UHFFFAOYSA-N 0 0 422.441 4.080 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1OC ZINC000482752231 898358465 /nfs/dbraw/zinc/35/84/65/898358465.db2.gz MAPBGLBCRPSWOY-UHFFFAOYSA-N 0 0 420.487 4.053 20 5 HIBDRN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000482839231 898449194 /nfs/dbraw/zinc/44/91/94/898449194.db2.gz KACQFMQTLXBZAB-OAQYLSRUSA-N 0 0 411.458 4.349 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000482860426 898472145 /nfs/dbraw/zinc/47/21/45/898472145.db2.gz AGIZTQNDFUCYOV-GXTWGEPZSA-N 0 0 421.266 4.491 20 5 HIBDRN CC(C)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Cl)cc1Cl ZINC000482882572 898495794 /nfs/dbraw/zinc/49/57/94/898495794.db2.gz XAUNWATYGXDMQI-AWEZNQCLSA-N 0 0 413.305 4.119 20 5 HIBDRN O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000482936766 898558813 /nfs/dbraw/zinc/55/88/13/898558813.db2.gz SLOXWWWNTGNSMN-KRWDZBQOSA-N 0 0 416.474 4.184 20 5 HIBDRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000482943928 898568143 /nfs/dbraw/zinc/56/81/43/898568143.db2.gz GAASPLTYENSQPY-INIZCTEOSA-N 0 0 417.487 4.329 20 5 HIBDRN C[C@H](NC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccc2ccccc2c1 ZINC000505560946 914264870 /nfs/dbraw/zinc/26/48/70/914264870.db2.gz ZLYMXLMDOZYAPS-INIZCTEOSA-N 0 0 400.438 4.489 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000482957571 898587174 /nfs/dbraw/zinc/58/71/74/898587174.db2.gz IJNXUYGRQJKRNN-IERDGZPVSA-N 0 0 422.547 4.143 20 5 HIBDRN C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cn1 ZINC000482967584 898600805 /nfs/dbraw/zinc/60/08/05/898600805.db2.gz XOGLUROLNLWVIA-MNOVXSKESA-N 0 0 418.251 4.214 20 5 HIBDRN CCCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1cc(F)c(OC)cc1F ZINC000482981740 898619519 /nfs/dbraw/zinc/61/95/19/898619519.db2.gz PSRWHHSJZFMGCE-UHFFFAOYSA-N 0 0 416.384 4.272 20 5 HIBDRN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000483000425 898649439 /nfs/dbraw/zinc/64/94/39/898649439.db2.gz PJMAWQMHHQYTQA-UHFFFAOYSA-N 0 0 402.472 4.095 20 5 HIBDRN COc1cc(CNC(C)(C)c2ccccc2OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000505573228 914278563 /nfs/dbraw/zinc/27/85/63/914278563.db2.gz AOVPDSLNTKOYKI-UHFFFAOYSA-N 0 0 410.417 4.281 20 5 HIBDRN CC[C@H]1CCCC[C@H]1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000483059249 898734213 /nfs/dbraw/zinc/73/42/13/898734213.db2.gz SAQYTGJATJODBC-SWLSCSKDSA-N 0 0 423.516 4.039 20 5 HIBDRN COc1cc(CN(C)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000505577490 914282211 /nfs/dbraw/zinc/28/22/11/914282211.db2.gz WWYTUJBINZFOCA-UHFFFAOYSA-N 0 0 402.344 4.316 20 5 HIBDRN CC[C@](C)(CCO)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000483092718 898781819 /nfs/dbraw/zinc/78/18/19/898781819.db2.gz KKNKPZCMWSAEAS-HXUWFJFHSA-N 0 0 422.865 4.330 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000483100763 898792485 /nfs/dbraw/zinc/79/24/85/898792485.db2.gz QSAHYAMXKAFBQQ-UHFFFAOYSA-N 0 0 416.377 4.326 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2cccc(Cl)c2)CC1 ZINC000483120367 898808849 /nfs/dbraw/zinc/80/88/49/898808849.db2.gz OEMXIPJQFNROOB-UHFFFAOYSA-N 0 0 403.866 4.075 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000483156120 898829151 /nfs/dbraw/zinc/82/91/51/898829151.db2.gz UUDXFUNBMOSRPA-UHFFFAOYSA-N 0 0 422.510 4.311 20 5 HIBDRN Cn1ccnc1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000483254730 898896010 /nfs/dbraw/zinc/89/60/10/898896010.db2.gz HUIYTQAHTYMXIS-QGZVFWFLSA-N 0 0 420.469 4.216 20 5 HIBDRN O=C(NC1(c2cccc(Cl)c2)CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000483287809 898923695 /nfs/dbraw/zinc/92/36/95/898923695.db2.gz USWUDFKGRGZNTH-UHFFFAOYSA-N 0 0 411.849 4.028 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000483295769 898929688 /nfs/dbraw/zinc/92/96/88/898929688.db2.gz ZIMOFAMZYCSFTL-LLVKDONJSA-N 0 0 414.512 4.458 20 5 HIBDRN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2c(F)cccc2[N+](=O)[O-])C1=O ZINC000505591036 914296814 /nfs/dbraw/zinc/29/68/14/914296814.db2.gz QFTIVEWEYSSWCI-HXUWFJFHSA-N 0 0 403.385 4.011 20 5 HIBDRN CCOc1cc(C(=O)N(C)[C@H]2CCCc3cc(OC)ccc32)c([N+](=O)[O-])cc1OC ZINC000505590797 914297487 /nfs/dbraw/zinc/29/74/87/914297487.db2.gz PEANRYHGILUNQH-SFHVURJKSA-N 0 0 414.458 4.160 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc(F)cc12)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000483315608 898943747 /nfs/dbraw/zinc/94/37/47/898943747.db2.gz KANSXNCIFHDZON-UHFFFAOYSA-N 0 0 424.354 4.276 20 5 HIBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483353183 898989304 /nfs/dbraw/zinc/98/93/04/898989304.db2.gz CZRDWOUFWPPUFZ-ZDUSSCGKSA-N 0 0 416.279 4.131 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1occc1CN1c2ccccc2C[C@H]1C ZINC000483352859 898989620 /nfs/dbraw/zinc/98/96/20/898989620.db2.gz RETFYNCNOGPZLS-OAHLLOKOSA-N 0 0 421.453 4.078 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)cc1SC ZINC000483377003 899012234 /nfs/dbraw/zinc/01/22/34/899012234.db2.gz LDPTWHIQIYFZBM-UHFFFAOYSA-N 0 0 417.487 4.024 20 5 HIBDRN CCOC(=O)c1csc([C@@H]2CCCN2C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000483400077 899033566 /nfs/dbraw/zinc/03/35/66/899033566.db2.gz CNNZFXMPYSPOGA-MDNBWPLSSA-N 0 0 401.488 4.468 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000483415006 899044503 /nfs/dbraw/zinc/04/45/03/899044503.db2.gz YVEXPUUEDCLQHF-ORAYPTAESA-N 0 0 403.866 4.092 20 5 HIBDRN CCc1ccc([C@H]2CN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000483428219 899057985 /nfs/dbraw/zinc/05/79/85/899057985.db2.gz CCQIZNPACFAWNJ-JOCHJYFZSA-N 0 0 406.486 4.131 20 5 HIBDRN O=C(N[C@H](CO)c1ccsc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000505610365 914314569 /nfs/dbraw/zinc/31/45/69/914314569.db2.gz QUFORHMVQOMBHL-QGZVFWFLSA-N 0 0 406.529 4.402 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2sccc2Br)cc1SC ZINC000483497480 899154530 /nfs/dbraw/zinc/15/45/30/899154530.db2.gz IXDWVYYQMPNFOL-UHFFFAOYSA-N 0 0 417.306 4.079 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1SC ZINC000483498856 899156533 /nfs/dbraw/zinc/15/65/33/899156533.db2.gz LSNJCFOPGVXVIQ-UHFFFAOYSA-N 0 0 409.851 4.189 20 5 HIBDRN O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000505623472 914324008 /nfs/dbraw/zinc/32/40/08/914324008.db2.gz UDQZTTJKLUMYOZ-YOEHRIQHSA-N 0 0 405.376 4.474 20 5 HIBDRN C[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(Cc2ccccc2)no1 ZINC000483654713 899313050 /nfs/dbraw/zinc/31/30/50/899313050.db2.gz OIOYXTXTSKWFNP-LBPRGKRZSA-N 0 0 404.373 4.021 20 5 HIBDRN CCc1cccc2c1OCC[C@H]2NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000483699229 899356933 /nfs/dbraw/zinc/35/69/33/899356933.db2.gz JPPAADWAFRFOOG-OAHLLOKOSA-N 0 0 402.472 4.141 20 5 HIBDRN Cc1c(CNC(=O)Nc2cc(Cl)ccc2N2CCSCC2)cccc1[N+](=O)[O-] ZINC000483712544 899369451 /nfs/dbraw/zinc/36/94/51/899369451.db2.gz LICDTOFHBZPKMU-UHFFFAOYSA-N 0 0 420.922 4.432 20 5 HIBDRN Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3C)cc2)cc1 ZINC000483810696 899487947 /nfs/dbraw/zinc/48/79/47/899487947.db2.gz VFCQASINIUYNEO-UHFFFAOYSA-N 0 0 419.437 4.259 20 5 HIBDRN Cc1c(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000483823610 899501181 /nfs/dbraw/zinc/50/11/81/899501181.db2.gz SSORAKGXPXUGQW-UHFFFAOYSA-N 0 0 416.648 4.118 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)ccc1OC(C)C ZINC000483828788 899506737 /nfs/dbraw/zinc/50/67/37/899506737.db2.gz IUVDXILSEHMKGK-GFCCVEGCSA-N 0 0 424.400 4.483 20 5 HIBDRN COc1c(C(=O)N2CCCc3c(F)cc(Br)cc32)cccc1[N+](=O)[O-] ZINC000483975090 899617849 /nfs/dbraw/zinc/61/78/49/899617849.db2.gz KTJUXVZAHQONET-UHFFFAOYSA-N 0 0 409.211 4.098 20 5 HIBDRN O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000483982407 899625350 /nfs/dbraw/zinc/62/53/50/899625350.db2.gz QGTTYOWBMTVBIZ-UHFFFAOYSA-N 0 0 408.439 4.245 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccc(F)cc2OCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000484010648 899646760 /nfs/dbraw/zinc/64/67/60/899646760.db2.gz NXACQDLFSZSVCB-UHFFFAOYSA-N 0 0 401.316 4.305 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000505679196 914372660 /nfs/dbraw/zinc/37/26/60/914372660.db2.gz COOJWDAYLHJKOC-UHFFFAOYSA-N 0 0 402.737 4.119 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N(Cc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000484049801 899682130 /nfs/dbraw/zinc/68/21/30/899682130.db2.gz JEZDQEAAGPZFJF-UHFFFAOYSA-N 0 0 400.504 4.001 20 5 HIBDRN Cc1sc(NC(=O)c2ccc(OC(F)F)cn2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000484069028 899701774 /nfs/dbraw/zinc/70/17/74/899701774.db2.gz DTAJNROZMZSVEZ-UHFFFAOYSA-N 0 0 406.370 4.275 20 5 HIBDRN CCCOc1cc(NC(=O)c2c3ccccc3nn2C)c([N+](=O)[O-])cc1OCCC ZINC000484103914 899730637 /nfs/dbraw/zinc/73/06/37/899730637.db2.gz HTUPLFALBRQLGQ-UHFFFAOYSA-N 0 0 412.446 4.311 20 5 HIBDRN Cc1c(CNC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)cccc1[N+](=O)[O-] ZINC000484103503 899730716 /nfs/dbraw/zinc/73/07/16/899730716.db2.gz RSRDMIROCPDCHP-UHFFFAOYSA-N 0 0 418.881 4.359 20 5 HIBDRN CCNc1ccc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000484186512 899802411 /nfs/dbraw/zinc/80/24/11/899802411.db2.gz BROVCYPQGFHBNE-UHFFFAOYSA-N 0 0 416.453 4.045 20 5 HIBDRN CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000484200812 899810479 /nfs/dbraw/zinc/81/04/79/899810479.db2.gz UEOMBWKRPBSCKI-UHFFFAOYSA-N 0 0 407.829 4.267 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000484226556 899823078 /nfs/dbraw/zinc/82/30/78/899823078.db2.gz ZQBNUYZIAZNBIA-ZDUSSCGKSA-N 0 0 406.845 4.405 20 5 HIBDRN Cc1c(CC(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)cccc1[N+](=O)[O-] ZINC000484311406 899871460 /nfs/dbraw/zinc/87/14/60/899871460.db2.gz FQSCGGIRSQHGAC-UHFFFAOYSA-N 0 0 421.478 4.261 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN(C2CC2)c2cc(F)ccc21 ZINC000484329135 899882885 /nfs/dbraw/zinc/88/28/85/899882885.db2.gz KZVHKIYKJVSZHH-UHFFFAOYSA-N 0 0 420.238 4.126 20 5 HIBDRN COc1ccc(NC(=O)N(C)Cc2ccc(F)cc2Br)cc1[N+](=O)[O-] ZINC000484334321 899886397 /nfs/dbraw/zinc/88/63/97/899886397.db2.gz FQWVAIMNZGZSGR-UHFFFAOYSA-N 0 0 412.215 4.169 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)C[C@H]3CCCC[C@@H]3O)cc2[N+](=O)[O-])n1 ZINC000484335866 899887479 /nfs/dbraw/zinc/88/74/79/899887479.db2.gz GGRKGXMYMVCBPR-ZBFHGGJFSA-N 0 0 421.544 4.134 20 5 HIBDRN CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000484368445 899912831 /nfs/dbraw/zinc/91/28/31/899912831.db2.gz KTIIOPIEFLBANH-BEFAXECRSA-N 0 0 400.500 4.369 20 5 HIBDRN CC(C)n1ncc2c1C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 ZINC000484376411 899917033 /nfs/dbraw/zinc/91/70/33/899917033.db2.gz PFRNZARMFVWVTO-ZDUSSCGKSA-N 0 0 411.384 4.070 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(Br)cc3nc(C)oc32)cc1[N+](=O)[O-] ZINC000484458187 899955570 /nfs/dbraw/zinc/95/55/70/899955570.db2.gz PGYCFFCJQXRXLW-UHFFFAOYSA-N 0 0 406.192 4.068 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3nccc(-c4ccco4)n3)cc2[N+](=O)[O-])CC1 ZINC000484472449 899966602 /nfs/dbraw/zinc/96/66/02/899966602.db2.gz KLYMDERLRYDKBD-UHFFFAOYSA-N 0 0 407.430 4.133 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000484542118 900025110 /nfs/dbraw/zinc/02/51/10/900025110.db2.gz KCLDHULZEXXQQL-MRXNPFEDSA-N 0 0 415.446 4.077 20 5 HIBDRN COC(=O)c1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000484546504 900027583 /nfs/dbraw/zinc/02/75/83/900027583.db2.gz XHUSNZHLJJCLNT-VIFPVBQESA-N 0 0 413.213 4.094 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000484546484 900027695 /nfs/dbraw/zinc/02/76/95/900027695.db2.gz VVPLHPSOQDUXLO-UHFFFAOYSA-N 0 0 418.515 4.463 20 5 HIBDRN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)cc1Cl ZINC000484555779 900032005 /nfs/dbraw/zinc/03/20/05/900032005.db2.gz IWPHBZIHGKSLQR-UHFFFAOYSA-N 0 0 412.671 4.081 20 5 HIBDRN CC1(C)CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@](C)(C(F)(F)F)O1 ZINC000505723463 914404074 /nfs/dbraw/zinc/40/40/74/914404074.db2.gz QVNOOVQIHNCRMC-NRFANRHFSA-N 0 0 418.415 4.253 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000484583396 900049038 /nfs/dbraw/zinc/04/90/38/900049038.db2.gz LWGBYTSGYGHPOO-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN O=C(Nc1c2c(ccc1Cl)OCC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000484585606 900050774 /nfs/dbraw/zinc/05/07/74/900050774.db2.gz HMBMRLZANSEABX-UHFFFAOYSA-N 0 0 403.641 4.259 20 5 HIBDRN 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HIBDRN O=C(CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000505832089 914485093 /nfs/dbraw/zinc/48/50/93/914485093.db2.gz LJVCJGQDNUOASV-OAHLLOKOSA-N 0 0 421.297 4.445 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(OCCc2ccccc2)CC1 ZINC000485682061 900932936 /nfs/dbraw/zinc/93/29/36/900932936.db2.gz KAFVCEAAQVCLDW-UHFFFAOYSA-N 0 0 420.412 4.060 20 5 HIBDRN Cc1c(CNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cccc1[N+](=O)[O-] ZINC000485715272 900964130 /nfs/dbraw/zinc/96/41/30/900964130.db2.gz AUVSVZAIRAYJPH-UHFFFAOYSA-N 0 0 415.902 4.463 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1F ZINC000485716835 900966113 /nfs/dbraw/zinc/96/61/13/900966113.db2.gz FZCHCIRYFPSNCU-UHFFFAOYSA-N 0 0 424.384 4.352 20 5 HIBDRN CSc1cccc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c1[N+](=O)[O-] ZINC000485745860 901001464 /nfs/dbraw/zinc/00/14/64/901001464.db2.gz ZYXOAQBDQVMMTC-UHFFFAOYSA-N 0 0 400.378 4.488 20 5 HIBDRN CC(=O)c1cc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(C)nc1C ZINC000485751767 901008728 /nfs/dbraw/zinc/00/87/28/901008728.db2.gz GCBGNTGEPKWODH-UHFFFAOYSA-N 0 0 410.455 4.493 20 5 HIBDRN O=C(Cc1ccc(F)cc1Br)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485754282 901009818 /nfs/dbraw/zinc/00/98/18/901009818.db2.gz ZLJZMTDRUKNANL-UHFFFAOYSA-N 0 0 419.153 4.279 20 5 HIBDRN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000485786102 901038928 /nfs/dbraw/zinc/03/89/28/901038928.db2.gz MSCRMHUSNLMBNU-UHFFFAOYSA-N 0 0 421.457 4.151 20 5 HIBDRN Cn1c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)nc2ccc(Br)cc21 ZINC000485808130 901058056 /nfs/dbraw/zinc/05/80/56/901058056.db2.gz ZNTCWDXSHWREMP-UHFFFAOYSA-N 0 0 415.291 4.409 20 5 HIBDRN COc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000485829713 901076120 /nfs/dbraw/zinc/07/61/20/901076120.db2.gz CDZXWVGMSCKQTE-UHFFFAOYSA-N 0 0 400.822 4.312 20 5 HIBDRN CC(C)(C)Oc1cc(N2CCC(NC(=O)CC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000485846358 901090290 /nfs/dbraw/zinc/09/02/90/901090290.db2.gz HVRPIDYFXRSEAQ-UHFFFAOYSA-N 0 0 403.523 4.437 20 5 HIBDRN O=C(Nc1ccnn1-c1cccc(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000485869615 901108436 /nfs/dbraw/zinc/10/84/36/901108436.db2.gz NIEBLCJIXXQXTA-UHFFFAOYSA-N 0 0 411.849 4.286 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000485879351 901115764 /nfs/dbraw/zinc/11/57/64/901115764.db2.gz DXUDNRIYRYOLDN-GFCCVEGCSA-N 0 0 402.520 4.461 20 5 HIBDRN Cc1csc([C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C2CC2)n1 ZINC000485879837 901116604 /nfs/dbraw/zinc/11/66/04/901116604.db2.gz CHDGLQYZCUVVDM-JTQLQIEISA-N 0 0 402.295 4.065 20 5 HIBDRN Cc1ccccc1-c1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])n(C)n1 ZINC000485882076 901117876 /nfs/dbraw/zinc/11/78/76/901117876.db2.gz KFLUARSFOFPBQT-UHFFFAOYSA-N 0 0 421.276 4.380 20 5 HIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485893680 901126018 /nfs/dbraw/zinc/12/60/18/901126018.db2.gz JRFYLYLMWIBAQD-JTQLQIEISA-N 0 0 413.293 4.131 20 5 HIBDRN COC[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(F)cc1 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SCJJLXAZEVBQBN-UHFFFAOYSA-N 0 0 400.431 4.050 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCc1nc(-c2ccc(-n3cc(Cl)cn3)c(F)c2)no1 ZINC000485957734 901175999 /nfs/dbraw/zinc/17/59/99/901175999.db2.gz NCFKMVAPEQBLNS-UHFFFAOYSA-N 0 0 414.784 4.235 20 5 HIBDRN COc1cc(-c2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)ccc1[N+](=O)[O-] ZINC000485967351 901184412 /nfs/dbraw/zinc/18/44/12/901184412.db2.gz AQQQCGNPQHFDTA-UHFFFAOYSA-N 0 0 415.768 4.299 20 5 HIBDRN COc1cc(N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c(F)cc1[N+](=O)[O-] ZINC000485969437 901185312 /nfs/dbraw/zinc/18/53/12/901185312.db2.gz VYNISGFLEGVQPA-AWEZNQCLSA-N 0 0 416.453 4.172 20 5 HIBDRN COC(=O)c1cc(NC(=O)CCc2ccccc2Br)c(C)c([N+](=O)[O-])c1 ZINC000485979835 901198696 /nfs/dbraw/zinc/19/86/96/901198696.db2.gz PIDTWLOTNAJNBQ-UHFFFAOYSA-N 0 0 421.247 4.024 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])c(N)c1F ZINC000485981459 901200505 /nfs/dbraw/zinc/20/05/05/901200505.db2.gz RUTMTLRAIFWKBG-UHFFFAOYSA-N 0 0 401.225 4.088 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)SCc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000486028079 901235012 /nfs/dbraw/zinc/23/50/12/901235012.db2.gz JKYPSFBUJYYQAF-CQSZACIVSA-N 0 0 410.517 4.275 20 5 HIBDRN Cc1cc(-c2noc(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2)ccc1F ZINC000486045214 901246390 /nfs/dbraw/zinc/24/63/90/901246390.db2.gz NHLORCOMCPRWCR-UHFFFAOYSA-N 0 0 424.432 4.216 20 5 HIBDRN O=C(COc1ccc(Br)cc1F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486068686 901261871 /nfs/dbraw/zinc/26/18/71/901261871.db2.gz KNGNSNAZZPYIID-UHFFFAOYSA-N 0 0 423.238 4.066 20 5 HIBDRN Cc1cc2ccccc2n1CC(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000486068299 901261974 /nfs/dbraw/zinc/26/19/74/901261974.db2.gz JPQYAVRTGDVQEN-UHFFFAOYSA-N 0 0 405.376 4.449 20 5 HIBDRN Cc1nc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1-c1ccccc1C(C)C ZINC000486108372 901294548 /nfs/dbraw/zinc/29/45/48/901294548.db2.gz UMSJLSSFDOXSPH-UHFFFAOYSA-N 0 0 419.485 4.412 20 5 HIBDRN COc1ccc(NC(=O)CNc2cc(Br)c(C)cc2C)c([N+](=O)[O-])c1 ZINC000486108206 901294586 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901400237 /nfs/dbraw/zinc/40/02/37/901400237.db2.gz QRSYXCYEBVXYMY-UHFFFAOYSA-N 0 0 401.575 4.106 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000505888739 914532298 /nfs/dbraw/zinc/53/22/98/914532298.db2.gz BCRMHDJVAZCNBZ-UHFFFAOYSA-N 0 0 416.434 4.216 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(OC2CCCC2)nc1 ZINC000486244000 901427052 /nfs/dbraw/zinc/42/70/52/901427052.db2.gz KUUUDLALTKVGJQ-UHFFFAOYSA-N 0 0 418.881 4.007 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000486268523 901451919 /nfs/dbraw/zinc/45/19/19/901451919.db2.gz KSJPFRKTIYACPN-UYAOXDASSA-N 0 0 410.470 4.214 20 5 HIBDRN C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000486272269 901454729 /nfs/dbraw/zinc/45/47/29/901454729.db2.gz RASOUABZBFJJEO-LLVKDONJSA-N 0 0 404.879 4.461 20 5 HIBDRN COc1ccc([C@@H](NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(F)(F)F)cc1 ZINC000505895075 914537241 /nfs/dbraw/zinc/53/72/41/914537241.db2.gz GXSYBTRNWOLGJP-GOSISDBHSA-N 0 0 411.380 4.134 20 5 HIBDRN CN(C)C(=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000486343734 901517789 /nfs/dbraw/zinc/51/77/89/901517789.db2.gz TVLIBZWEVAJZHJ-UHFFFAOYSA-N 0 0 419.437 4.128 20 5 HIBDRN CSc1cccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000486405668 901567435 /nfs/dbraw/zinc/56/74/35/901567435.db2.gz QNBXFDZOFZJLRY-OAHLLOKOSA-N 0 0 410.854 4.323 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](c2noc(C)n2)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000486406449 901567677 /nfs/dbraw/zinc/56/76/77/901567677.db2.gz KKVOQTYSCLHBQY-OAHLLOKOSA-N 0 0 418.862 4.181 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000486421452 901579385 /nfs/dbraw/zinc/57/93/85/901579385.db2.gz UVYSPAKZHYRCEQ-ZDUSSCGKSA-N 0 0 421.881 4.258 20 5 HIBDRN CC(C)(C)[C@H]1C[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCO1 ZINC000486423898 901582308 /nfs/dbraw/zinc/58/23/08/901582308.db2.gz KYYDWSFXKISTLX-DYESRHJHSA-N 0 0 412.486 4.497 20 5 HIBDRN Cc1cccc2[nH]c(CNC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])nc21 ZINC000486430105 901589819 /nfs/dbraw/zinc/58/98/19/901589819.db2.gz NWDYGFNESGDTNL-UHFFFAOYSA-N 0 0 416.437 4.289 20 5 HIBDRN CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486436756 901596376 /nfs/dbraw/zinc/59/63/76/901596376.db2.gz UESALMBTEHBZKQ-UHFFFAOYSA-N 0 0 400.456 4.086 20 5 HIBDRN O=C(c1c(F)ccc(Br)c1F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486447277 901606552 /nfs/dbraw/zinc/60/65/52/901606552.db2.gz FEBFPOUHAMRQJS-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN Cc1ccnc(-c2n[nH]c([C@@H](C)Nc3ccc([N+](=O)[O-])c(-c4ccccc4)n3)n2)c1 ZINC000486487080 901642854 /nfs/dbraw/zinc/64/28/54/901642854.db2.gz AQNIQQPTGZEDFV-CQSZACIVSA-N 0 0 401.430 4.318 20 5 HIBDRN CC(C)(C)OCc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000486523104 901673554 /nfs/dbraw/zinc/67/35/54/901673554.db2.gz XPZOARWPSVZLOJ-UHFFFAOYSA-N 0 0 416.356 4.238 20 5 HIBDRN Cc1nnc(Sc2ccc(NC(=O)CNc3ccccc3[N+](=O)[O-])c(C)c2)s1 ZINC000505916186 914559484 /nfs/dbraw/zinc/55/94/84/914559484.db2.gz YRNZSLDGTNRUJP-UHFFFAOYSA-N 0 0 415.500 4.265 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000486642821 901769952 /nfs/dbraw/zinc/76/99/52/901769952.db2.gz YZCAGHCNJCUSHV-JGVFFNPUSA-N 0 0 423.800 4.368 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000486650095 901774641 /nfs/dbraw/zinc/77/46/41/901774641.db2.gz IGKURWCSDDKOTN-UHFFFAOYSA-N 0 0 402.472 4.143 20 5 HIBDRN CC(C)Cn1ncc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C(F)F ZINC000486700125 901801179 /nfs/dbraw/zinc/80/11/79/901801179.db2.gz QAVHJALHSPEXJZ-UHFFFAOYSA-N 0 0 420.338 4.334 20 5 HIBDRN Cc1ccc(C(=O)CCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000486703575 901803090 /nfs/dbraw/zinc/80/30/90/901803090.db2.gz QIXITHRCTNGFNN-UHFFFAOYSA-N 0 0 400.378 4.263 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000486704385 901804395 /nfs/dbraw/zinc/80/43/95/901804395.db2.gz ZOUAEJQDHRBDQK-UHFFFAOYSA-N 0 0 404.426 4.436 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1cccc(Cl)c1 ZINC000486711410 901807809 /nfs/dbraw/zinc/80/78/09/901807809.db2.gz DZJZUNAGQOBZPV-UHFFFAOYSA-N 0 0 408.907 4.349 20 5 HIBDRN COc1cccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1OC(F)F ZINC000486738806 901822002 /nfs/dbraw/zinc/82/20/02/901822002.db2.gz RUKMSBQTPVXQSO-UHFFFAOYSA-N 0 0 420.290 4.154 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ncoc1-c1ccc(F)cc1 ZINC000486753702 901830739 /nfs/dbraw/zinc/83/07/39/901830739.db2.gz XUVHJDWZRFZWCD-UHFFFAOYSA-N 0 0 409.295 4.338 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nc(-c2ccccc2F)cs1 ZINC000486761622 901836236 /nfs/dbraw/zinc/83/62/36/901836236.db2.gz LBYSBHBKHGACBJ-UHFFFAOYSA-N 0 0 402.407 4.188 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000486778895 901848628 /nfs/dbraw/zinc/84/86/28/901848628.db2.gz MTOWHLSIOLLLJK-MRXNPFEDSA-N 0 0 409.458 4.018 20 5 HIBDRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000486794398 901859360 /nfs/dbraw/zinc/85/93/60/901859360.db2.gz GGDJVCVULVYICO-UHFFFAOYSA-N 0 0 408.458 4.404 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000486804863 901864125 /nfs/dbraw/zinc/86/41/25/901864125.db2.gz LSNUJZKWMZGERQ-LLVKDONJSA-N 0 0 408.451 4.354 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3cccc(C)c3)c2CC)cc1OC ZINC000486828407 901880049 /nfs/dbraw/zinc/88/00/49/901880049.db2.gz UTJCBOGCIWPSMC-UHFFFAOYSA-N 0 0 424.457 4.311 20 5 HIBDRN CN(C)c1ncccc1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000486836472 901886485 /nfs/dbraw/zinc/88/64/85/901886485.db2.gz VUORRDSPPLIVDS-UHFFFAOYSA-N 0 0 408.483 4.137 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@@H](c2ccco2)c2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000486861025 901906653 /nfs/dbraw/zinc/90/66/53/901906653.db2.gz WTODSFLPQDEWJQ-LJQANCHMSA-N 0 0 409.398 4.194 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H](C)c2ccc3ncsc3c2)c(C)c([N+](=O)[O-])c1 ZINC000486865592 901911195 /nfs/dbraw/zinc/91/11/95/901911195.db2.gz LGBNISMCCTUWEF-LLVKDONJSA-N 0 0 414.443 4.182 20 5 HIBDRN COC(=O)c1cc(NC(=O)NCc2ccc(C(F)(F)F)cc2)c(C)c([N+](=O)[O-])c1 ZINC000486865472 901911397 /nfs/dbraw/zinc/91/13/97/901911397.db2.gz HWARWGWYZSIYBM-UHFFFAOYSA-N 0 0 411.336 4.030 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@H](Cc3ccccc3)C2)c(C)c([N+](=O)[O-])c1 ZINC000486867461 901912904 /nfs/dbraw/zinc/91/29/04/901912904.db2.gz KXWNVRUXULIHFB-QGZVFWFLSA-N 0 0 411.458 4.176 20 5 HIBDRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000486868419 901913977 /nfs/dbraw/zinc/91/39/77/901913977.db2.gz JUBNFOGZARHUKG-UHFFFAOYSA-N 0 0 404.854 4.351 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c(C)c([N+](=O)[O-])c1 ZINC000486868586 901914184 /nfs/dbraw/zinc/91/41/84/901914184.db2.gz ORDHUMAAZKQMHP-NSHDSACASA-N 0 0 407.373 4.193 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H]2CCSc3ccc(F)cc32)c(C)c([N+](=O)[O-])c1 ZINC000486867991 901914243 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WWKXNRFLECWMIR-OALUTQOASA-N 0 0 404.417 4.219 20 5 HIBDRN COc1cc(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1OCC(F)(F)F ZINC000486927553 901970754 /nfs/dbraw/zinc/97/07/54/901970754.db2.gz LXSCKDIXYAZVSX-UHFFFAOYSA-N 0 0 424.335 4.207 20 5 HIBDRN CCCCNC(=O)Cc1noc(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000486973700 901999144 /nfs/dbraw/zinc/99/91/44/901999144.db2.gz VVRBMPUYJRGXAZ-UHFFFAOYSA-N 0 0 412.471 4.255 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487000989 902008705 /nfs/dbraw/zinc/00/87/05/902008705.db2.gz SWURNGIOSZSUAM-HZPDHXFCSA-N 0 0 409.273 4.065 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000487043619 902036088 /nfs/dbraw/zinc/03/60/88/902036088.db2.gz NUSGTBPAHFDTQF-UHFFFAOYSA-N 0 0 410.817 4.335 20 5 HIBDRN O=C(CSc1cc(Cl)ccc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487053255 902039065 /nfs/dbraw/zinc/03/90/65/902039065.db2.gz YKWDLMHAEIKPPH-UHFFFAOYSA-N 0 0 415.302 4.054 20 5 HIBDRN Cc1[nH]nc(-c2ccccc2)c1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487071003 902046587 /nfs/dbraw/zinc/04/65/87/902046587.db2.gz AEYIQVFEURNTRJ-UHFFFAOYSA-N 0 0 400.822 4.354 20 5 HIBDRN O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1(Sc2ccccc2)CCCC1 ZINC000487077246 902048928 /nfs/dbraw/zinc/04/89/28/902048928.db2.gz ZOXTXZDKWNWCIM-UHFFFAOYSA-N 0 0 400.504 4.060 20 5 HIBDRN C[C@@H](Oc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1)c1ccccc1 ZINC000487098838 902057969 /nfs/dbraw/zinc/05/79/69/902057969.db2.gz KGBZTTWCMWOLDX-QGZVFWFLSA-N 0 0 420.469 4.409 20 5 HIBDRN O=C(Nc1ccc(Oc2ccccc2F)nc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000487139461 902071360 /nfs/dbraw/zinc/07/13/60/902071360.db2.gz VWWRAMQQOZGFST-UHFFFAOYSA-N 0 0 419.372 4.359 20 5 HIBDRN C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000487186360 902091001 /nfs/dbraw/zinc/09/10/01/902091001.db2.gz OBQIDVUTFLYPFZ-CQSZACIVSA-N 0 0 413.865 4.037 20 5 HIBDRN Cc1cnccc1OC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000487262667 902124392 /nfs/dbraw/zinc/12/43/92/902124392.db2.gz YDTJZPGMEQNNRB-UHFFFAOYSA-N 0 0 421.906 4.114 20 5 HIBDRN Cc1c2cc(Br)ccc2oc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000505943092 914595895 /nfs/dbraw/zinc/59/58/95/914595895.db2.gz LWDLVDLNZFQWEV-UHFFFAOYSA-N 0 0 403.232 4.384 20 5 HIBDRN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000487492981 902224325 /nfs/dbraw/zinc/22/43/25/902224325.db2.gz RPFNMNRCDKEDLV-UHFFFAOYSA-N 0 0 413.384 4.100 20 5 HIBDRN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000487493437 902225038 /nfs/dbraw/zinc/22/50/38/902225038.db2.gz WINFWFQEXSHYAH-UHFFFAOYSA-N 0 0 404.398 4.004 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 ZINC000487530916 902237329 /nfs/dbraw/zinc/23/73/29/902237329.db2.gz CHYZAQVWFFVBNX-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)[C@@H](C)CO2)c1 ZINC000487654464 902275528 /nfs/dbraw/zinc/27/55/28/902275528.db2.gz RLWFEUUWEVZPHS-SUMWQHHRSA-N 0 0 406.280 4.336 20 5 HIBDRN CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000487656567 902276802 /nfs/dbraw/zinc/27/68/02/902276802.db2.gz HRINLPNFTOPWTQ-FQEVSTJZSA-N 0 0 410.861 4.477 20 5 HIBDRN CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000487656568 902277711 /nfs/dbraw/zinc/27/77/11/902277711.db2.gz HRINLPNFTOPWTQ-HXUWFJFHSA-N 0 0 410.861 4.477 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)cc([N+](=O)[O-])c1OC ZINC000487702678 902301525 /nfs/dbraw/zinc/30/15/25/902301525.db2.gz ICSTXHIIXQIVJV-UHFFFAOYSA-N 0 0 409.398 4.360 20 5 HIBDRN CC[C@H](NC(=O)Nc1nc(CN2CCCCC2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000487751023 902340484 /nfs/dbraw/zinc/34/04/84/902340484.db2.gz PHBKFJRIWWRVEI-KRWDZBQOSA-N 0 0 403.508 4.310 20 5 HIBDRN O=C(NCCc1coc(-c2ccc(F)cc2)n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000487835342 902397199 /nfs/dbraw/zinc/39/71/99/902397199.db2.gz CLCUJFAEJCHGCC-UHFFFAOYSA-N 0 0 424.432 4.306 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1SCCc2ccccc21 ZINC000487887238 902429304 /nfs/dbraw/zinc/42/93/04/902429304.db2.gz YIKGQDQJQIJIGE-KPZWWZAWSA-N 0 0 406.891 4.162 20 5 HIBDRN O=c1c2ccccc2n(Cc2ccc(OCc3ccccc3F)nc2)cc1[N+](=O)[O-] ZINC000487895929 902436379 /nfs/dbraw/zinc/43/63/79/902436379.db2.gz JTOORGKCRZYVLP-UHFFFAOYSA-N 0 0 405.385 4.071 20 5 HIBDRN O=c1c2ccccc2n(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] ZINC000487930786 902461143 /nfs/dbraw/zinc/46/11/43/902461143.db2.gz GGHSTCNPBDSTJX-UHFFFAOYSA-N 0 0 417.208 4.315 20 5 HIBDRN Cc1ccc(-n2cnc3c2CCN(Cc2coc(-c4ccc([N+](=O)[O-])cc4)n2)C3)cc1 ZINC000487999630 902521335 /nfs/dbraw/zinc/52/13/35/902521335.db2.gz NCEKDVYEVBEION-UHFFFAOYSA-N 0 0 415.453 4.302 20 5 HIBDRN CN(Cc1ccc(F)cc1Cl)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488003720 902522857 /nfs/dbraw/zinc/52/28/57/902522857.db2.gz CNESSYPEADTKTL-UHFFFAOYSA-N 0 0 400.237 4.425 20 5 HIBDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488004941 902524988 /nfs/dbraw/zinc/52/49/88/902524988.db2.gz HZJIOVFWRKWMPE-UHFFFAOYSA-N 0 0 413.808 4.234 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1ccccn1 ZINC000488011439 902531132 /nfs/dbraw/zinc/53/11/32/902531132.db2.gz DQXQJVMDGJUPMC-FQEVSTJZSA-N 0 0 410.861 4.275 20 5 HIBDRN CNC(=O)c1ccc(NCc2cccc(NC(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000488015466 902534659 /nfs/dbraw/zinc/53/46/59/902534659.db2.gz RTBKKHOADGZCSH-UHFFFAOYSA-N 0 0 419.441 4.211 20 5 HIBDRN COc1cc(CN(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1SC ZINC000488016429 902536607 /nfs/dbraw/zinc/53/66/07/902536607.db2.gz UZMOBQVDLSWKGA-UHFFFAOYSA-N 0 0 423.922 4.363 20 5 HIBDRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488036389 902553755 /nfs/dbraw/zinc/55/37/55/902553755.db2.gz RARPTJXILBQTMQ-FXAWDEMLSA-N 0 0 411.502 4.234 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000488037325 902555393 /nfs/dbraw/zinc/55/53/93/902555393.db2.gz UZGQFEHLEURTQW-LLVKDONJSA-N 0 0 411.227 4.061 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)CCOc2ccccc2Br)cc1[N+](=O)[O-] ZINC000488045964 902562373 /nfs/dbraw/zinc/56/23/73/902562373.db2.gz SYCGNPAEYHALON-CYBMUJFWSA-N 0 0 407.264 4.312 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000488060892 902574777 /nfs/dbraw/zinc/57/47/77/902574777.db2.gz JMYQUYQRQXXYRT-AWEZNQCLSA-N 0 0 424.482 4.032 20 5 HIBDRN Cc1sc2nc(CCC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000488068172 902580374 /nfs/dbraw/zinc/58/03/74/902580374.db2.gz RJIVZYDSJGSPKI-LBPRGKRZSA-N 0 0 414.487 4.040 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC000488071453 902581983 /nfs/dbraw/zinc/58/19/83/902581983.db2.gz GTBRIGGOPMPBGM-KRWDZBQOSA-N 0 0 417.893 4.039 20 5 HIBDRN O=[N+]([O-])c1cnc2ccccc2c1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000488098399 902602049 /nfs/dbraw/zinc/60/20/49/902602049.db2.gz OWVPSNLSHYXXOT-GOSISDBHSA-N 0 0 401.369 4.322 20 5 HIBDRN CC(C)Oc1ccc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc1Cl ZINC000488137876 902633395 /nfs/dbraw/zinc/63/33/95/902633395.db2.gz KQFPUVXWTLECTE-UHFFFAOYSA-N 0 0 401.644 4.008 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000488158060 902651158 /nfs/dbraw/zinc/65/11/58/902651158.db2.gz LBVGLVVHRDKCIV-UHFFFAOYSA-N 0 0 417.400 4.162 20 5 HIBDRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000488159632 902653399 /nfs/dbraw/zinc/65/33/99/902653399.db2.gz HAYYWGCTJZJHJJ-UHFFFAOYSA-N 0 0 411.893 4.063 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(OC)c1C ZINC000488170471 902660946 /nfs/dbraw/zinc/66/09/46/902660946.db2.gz VXMHUVOFGFPHLT-UHFFFAOYSA-N 0 0 418.471 4.128 20 5 HIBDRN COC(=O)CNC(=O)c1ccc(N[C@@H](CC(C)C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000488180267 902668217 /nfs/dbraw/zinc/66/82/17/902668217.db2.gz MELLWXLTMIHWID-IBGZPJMESA-N 0 0 413.474 4.005 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(-c2cc(C)ccn2)n1 ZINC000488190580 902675029 /nfs/dbraw/zinc/67/50/29/902675029.db2.gz FAKXJTZNLWHQQL-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(NCc3c(Cl)cccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000488205009 902687644 /nfs/dbraw/zinc/68/76/44/902687644.db2.gz YMVNKIWPXVNISW-ZIAGYGMSSA-N 0 0 403.866 4.110 20 5 HIBDRN CC(C)(C)[C@H](COc1ccccc1F)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000488210935 902692548 /nfs/dbraw/zinc/69/25/48/902692548.db2.gz TYWSBUHCEPBDHJ-SFHVURJKSA-N 0 0 410.467 4.043 20 5 HIBDRN COc1ccc([C@@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(F)(F)F)cc1 ZINC000505982817 914648651 /nfs/dbraw/zinc/64/86/51/914648651.db2.gz TUTDPVOTLIDEOI-MRXNPFEDSA-N 0 0 408.336 4.047 20 5 HIBDRN CSc1ccc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc1[N+](=O)[O-] ZINC000505983956 914650183 /nfs/dbraw/zinc/65/01/83/914650183.db2.gz FYKKFBKPZBEJHP-UHFFFAOYSA-N 0 0 411.405 4.447 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)c1[N+](=O)[O-] ZINC000488242501 902717137 /nfs/dbraw/zinc/71/71/37/902717137.db2.gz ICELEJLEOXPASH-UHFFFAOYSA-N 0 0 401.488 4.358 20 5 HIBDRN COCCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000488253210 902727066 /nfs/dbraw/zinc/72/70/66/902727066.db2.gz JVVSJOMDQOHJEH-HNNXBMFYSA-N 0 0 405.882 4.210 20 5 HIBDRN CN(C)c1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(C(F)(F)F)c1 ZINC000488290223 902751024 /nfs/dbraw/zinc/75/10/24/902751024.db2.gz CPLYGUDOJYWTLX-UHFFFAOYSA-N 0 0 419.363 4.118 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(Cn2cccn2)cc1 ZINC000488327421 902766794 /nfs/dbraw/zinc/76/67/94/902766794.db2.gz DCAITHAJGFMDAT-UHFFFAOYSA-N 0 0 419.363 4.180 20 5 HIBDRN C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000488380739 902789844 /nfs/dbraw/zinc/78/98/44/902789844.db2.gz CTWWRQNZGXSVDP-BFUOFWGJSA-N 0 0 421.856 4.101 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccc(-n2cccn2)c1 ZINC000488402353 902809667 /nfs/dbraw/zinc/80/96/67/902809667.db2.gz YLIQGKFZMPMKFD-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488440059 902827682 /nfs/dbraw/zinc/82/76/82/902827682.db2.gz AKBJEDMRGMCQKN-UHFFFAOYSA-N 0 0 408.380 4.166 20 5 HIBDRN O=C(Nc1cccc(CSc2ccccn2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000488442493 902828560 /nfs/dbraw/zinc/82/85/60/902828560.db2.gz SEHKQXTXNHDBTM-UHFFFAOYSA-N 0 0 409.423 4.263 20 5 HIBDRN O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000488444194 902828909 /nfs/dbraw/zinc/82/89/09/902828909.db2.gz CMUPQSVUIDEVQY-UHFFFAOYSA-N 0 0 408.380 4.166 20 5 HIBDRN Cc1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1-c1ccccc1 ZINC000488577565 902889554 /nfs/dbraw/zinc/88/95/54/902889554.db2.gz LZGPTAWOXPVLTM-UHFFFAOYSA-N 0 0 419.363 4.429 20 5 HIBDRN Cn1c(=O)c(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cc2ccccc21 ZINC000488692971 902946831 /nfs/dbraw/zinc/94/68/31/902946831.db2.gz KVVVPBWJQMSDOH-UHFFFAOYSA-N 0 0 404.401 4.260 20 5 HIBDRN Cc1c(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnn1CCC(C)C ZINC000488884100 903057038 /nfs/dbraw/zinc/05/70/38/903057038.db2.gz APAZCAWYUFQTOV-UHFFFAOYSA-N 0 0 413.400 4.486 20 5 HIBDRN Cc1ccc(Cn2cccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2=O)cc1 ZINC000488944204 903091527 /nfs/dbraw/zinc/09/15/27/903091527.db2.gz SEJMVQQETBCMKM-UHFFFAOYSA-N 0 0 405.454 4.030 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCOC2(CCCC2)C1 ZINC000489052727 903158482 /nfs/dbraw/zinc/15/84/82/903158482.db2.gz UXWDYOAEIAJKSW-AWEZNQCLSA-N 0 0 415.412 4.024 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCOC2(CCCC2)C1 ZINC000489052728 903159569 /nfs/dbraw/zinc/15/95/69/903159569.db2.gz UXWDYOAEIAJKSW-CQSZACIVSA-N 0 0 415.412 4.024 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000489055973 903160927 /nfs/dbraw/zinc/16/09/27/903160927.db2.gz FECNPVUETNGOES-SJLPKXTDSA-N 0 0 424.501 4.385 20 5 HIBDRN Cc1ccc(-c2nc(CCNC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)co2)cc1 ZINC000489140378 903226162 /nfs/dbraw/zinc/22/61/62/903226162.db2.gz PDFFGWWXTRQNCF-MRXNPFEDSA-N 0 0 408.458 4.470 20 5 HIBDRN CC[C@H](C)c1nnc([C@H](C)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[nH]1 ZINC000489190093 903251213 /nfs/dbraw/zinc/25/12/13/903251213.db2.gz SHPUUGRCKZGAQF-GJZGRUSLSA-N 0 0 422.489 4.330 20 5 HIBDRN Cc1ccnc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)c1 ZINC000489192558 903252774 /nfs/dbraw/zinc/25/27/74/903252774.db2.gz AZGHJXBCSNSUOL-UHFFFAOYSA-N 0 0 414.531 4.009 20 5 HIBDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000489299001 903318003 /nfs/dbraw/zinc/31/80/03/903318003.db2.gz VTYJARNHCHVYJD-UHFFFAOYSA-N 0 0 408.892 4.441 20 5 HIBDRN CCOCCN(CC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000489333365 903336466 /nfs/dbraw/zinc/33/64/66/903336466.db2.gz RPAHOQJDPAFOCT-IBGZPJMESA-N 0 0 405.882 4.286 20 5 HIBDRN O=C(Nc1cc(F)cc(Br)c1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489370766 903350390 /nfs/dbraw/zinc/35/03/90/903350390.db2.gz OQRQVXPKALLOKP-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN Cc1ccccc1[C@H](OC[C@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccccc1 ZINC000489378916 903353569 /nfs/dbraw/zinc/35/35/69/903353569.db2.gz KHFOGNHCTFFXGI-AUSIDOKSSA-N 0 0 407.470 4.144 20 5 HIBDRN Cc1ccc(-n2cnc3c2CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C3)cc1 ZINC000489480082 903409699 /nfs/dbraw/zinc/40/96/99/903409699.db2.gz PMHWOXLPERTAKB-INIZCTEOSA-N 0 0 422.510 4.154 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)cc1[N+](=O)[O-] ZINC000489494753 903421695 /nfs/dbraw/zinc/42/16/95/903421695.db2.gz JWEXZWREWWQSPM-QWHCGFSZSA-N 0 0 413.409 4.214 20 5 HIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000489529903 903441126 /nfs/dbraw/zinc/44/11/26/903441126.db2.gz MUMRUXIHDJPFJK-OAHLLOKOSA-N 0 0 407.474 4.384 20 5 HIBDRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489536107 903447581 /nfs/dbraw/zinc/44/75/81/903447581.db2.gz DNMFMEXHQRMEDH-UHFFFAOYSA-N 0 0 420.290 4.367 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000489564541 903468090 /nfs/dbraw/zinc/46/80/90/903468090.db2.gz JPDYVFRNVPNQSH-QGZVFWFLSA-N 0 0 420.412 4.060 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cnn(C)c2)CC1 ZINC000489604356 903494519 /nfs/dbraw/zinc/49/45/19/903494519.db2.gz MASXDUFZOBJVGL-UHFFFAOYSA-N 0 0 402.520 4.096 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1C(F)(F)F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489648754 903513341 /nfs/dbraw/zinc/51/33/41/903513341.db2.gz GVTSHVWLRMDHTB-UHFFFAOYSA-N 0 0 417.775 4.333 20 5 HIBDRN CCn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(F)cc1 ZINC000489658797 903525470 /nfs/dbraw/zinc/52/54/70/903525470.db2.gz KKSPGOICPPVCMF-UHFFFAOYSA-N 0 0 415.450 4.133 20 5 HIBDRN Cc1noc2ncc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc12 ZINC000489746872 903574690 /nfs/dbraw/zinc/57/46/90/903574690.db2.gz WGZLJJFCCYYHBR-UHFFFAOYSA-N 0 0 403.398 4.304 20 5 HIBDRN COC(=O)c1cc(NC(=O)C2(c3ccc(C)c(OC)c3)CCC2)c(C)c([N+](=O)[O-])c1 ZINC000489757048 903582731 /nfs/dbraw/zinc/58/27/31/903582731.db2.gz SWOQIDKEAQKYMO-UHFFFAOYSA-N 0 0 412.442 4.067 20 5 HIBDRN C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1cnn(Cc2ccccc2)c1 ZINC000489791192 903601666 /nfs/dbraw/zinc/60/16/66/903601666.db2.gz OOJRDRDOMLJNFD-MRXNPFEDSA-N 0 0 407.474 4.135 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1Cl ZINC000489818472 903613575 /nfs/dbraw/zinc/61/35/75/903613575.db2.gz XSNBVVFBXBVODH-GFCCVEGCSA-N 0 0 422.890 4.394 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N(CCO)Cc1ccccc1 ZINC000489843426 903625279 /nfs/dbraw/zinc/62/52/79/903625279.db2.gz ONSHRWOVPFRLGM-UHFFFAOYSA-N 0 0 408.479 4.381 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000489849570 903629422 /nfs/dbraw/zinc/62/94/22/903629422.db2.gz CPBGACWEVMGNKE-OAHLLOKOSA-N 0 0 407.474 4.266 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000489882492 903649108 /nfs/dbraw/zinc/64/91/08/903649108.db2.gz NMRFEPRKSBIMOO-KRWDZBQOSA-N 0 0 420.469 4.438 20 5 HIBDRN Cc1cc(C)n(-c2ccc(CCNC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 ZINC000489881027 903649542 /nfs/dbraw/zinc/64/95/42/903649542.db2.gz LUJSPKBEGGMWPR-GOSISDBHSA-N 0 0 421.501 4.309 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000489899518 903659251 /nfs/dbraw/zinc/65/92/51/903659251.db2.gz MDQFYNMSEFGJTG-CYBMUJFWSA-N 0 0 424.906 4.184 20 5 HIBDRN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000489909495 903667016 /nfs/dbraw/zinc/66/70/16/903667016.db2.gz QMRYPUNZOABDJU-ZDUSSCGKSA-N 0 0 422.359 4.070 20 5 HIBDRN C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC000489928055 903681584 /nfs/dbraw/zinc/68/15/84/903681584.db2.gz APBBPXGBDZFNDN-SECBINFHSA-N 0 0 407.213 4.443 20 5 HIBDRN CC(C)c1ccc([C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)c2cccs2)cc1 ZINC000489949244 903692472 /nfs/dbraw/zinc/69/24/72/903692472.db2.gz CVHQIEKUBLWPGX-IBGZPJMESA-N 0 0 413.503 4.065 20 5 HIBDRN CC[C@H](NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000489949903 903692640 /nfs/dbraw/zinc/69/26/40/903692640.db2.gz XRHKHSPWGFUCLD-FQEVSTJZSA-N 0 0 410.474 4.106 20 5 HIBDRN COc1cc(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)ccc1[N+](=O)[O-] ZINC000489981807 903710644 /nfs/dbraw/zinc/71/06/44/903710644.db2.gz KCHPIZNCWVHQIR-UHFFFAOYSA-N 0 0 420.347 4.275 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000490033722 903736416 /nfs/dbraw/zinc/73/64/16/903736416.db2.gz NXCBFODAODBSBM-LLVKDONJSA-N 0 0 420.347 4.078 20 5 HIBDRN O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(Cc1ccco1)c1ccccc1 ZINC000490050639 903744025 /nfs/dbraw/zinc/74/40/25/903744025.db2.gz QVEBDUMSFJFHJL-UHFFFAOYSA-N 0 0 405.454 4.386 20 5 HIBDRN C[C@H](c1cc(Cl)ccc1Cl)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000490100429 903769978 /nfs/dbraw/zinc/76/99/78/903769978.db2.gz HIMQTUIPBOLBRJ-LLVKDONJSA-N 0 0 414.314 4.482 20 5 HIBDRN 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CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(Br)c2)cc1OC ZINC000492573850 904870719 /nfs/dbraw/zinc/87/07/19/904870719.db2.gz SLUOZDOEKIZPBR-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN Cc1ccc(-c2noc(CCC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)cc1F ZINC000492816619 904913734 /nfs/dbraw/zinc/91/37/34/904913734.db2.gz IPZGSIHWTXAHEV-UHFFFAOYSA-N 0 0 424.432 4.216 20 5 HIBDRN COc1cc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000506231425 914854438 /nfs/dbraw/zinc/85/44/38/914854438.db2.gz FXURUAPXWZTYTR-CQSZACIVSA-N 0 0 422.441 4.432 20 5 HIBDRN O=C(CCc1ccccc1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492866666 904929946 /nfs/dbraw/zinc/92/99/46/904929946.db2.gz AERIZFZHFXYTDX-UHFFFAOYSA-N 0 0 403.276 4.481 20 5 HIBDRN CCOc1ncccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000506234712 914856840 /nfs/dbraw/zinc/85/68/40/914856840.db2.gz RTMWQNFPHSSKOW-CQSZACIVSA-N 0 0 407.430 4.209 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000492954916 904964096 /nfs/dbraw/zinc/96/40/96/904964096.db2.gz BRTRTTMLXYKUBO-AUSJPIAWSA-N 0 0 401.438 4.275 20 5 HIBDRN O=C(Nc1ccc2nc(C(F)F)sc2c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000493144332 905032243 /nfs/dbraw/zinc/03/22/43/905032243.db2.gz CXFBJELBSJELIT-UHFFFAOYSA-N 0 0 420.397 4.437 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1ccccc1OC(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493153168 905034887 /nfs/dbraw/zinc/03/48/87/905034887.db2.gz LUPBISYRPMYTCL-MSOLQXFVSA-N 0 0 402.397 4.491 20 5 HIBDRN O=C(CCc1ccc(Br)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493209429 905052402 /nfs/dbraw/zinc/05/24/02/905052402.db2.gz IFGUJQKZNQKMER-UHFFFAOYSA-N 0 0 403.276 4.481 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCc3c(Br)cccc3C2)cc1[N+](=O)[O-] ZINC000493241672 905062509 /nfs/dbraw/zinc/06/25/09/905062509.db2.gz ZBSYCIAMZOZTAT-ZDUSSCGKSA-N 0 0 418.291 4.495 20 5 HIBDRN O=C(Nc1ccc(F)cc1)NC1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493251877 905070661 /nfs/dbraw/zinc/07/06/61/905070661.db2.gz HBYSQGDRNLMQOR-UHFFFAOYSA-N 0 0 406.845 4.173 20 5 HIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000493305588 905079451 /nfs/dbraw/zinc/07/94/51/905079451.db2.gz PVIRPIRVQYQNKM-UHFFFAOYSA-N 0 0 420.816 4.348 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000512385190 921121985 /nfs/dbraw/zinc/12/19/85/921121985.db2.gz BWHKINRQEFXILT-SFHVURJKSA-N 0 0 412.339 4.090 20 5 HIBDRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])nc21 ZINC000493411223 905111091 /nfs/dbraw/zinc/11/10/91/905111091.db2.gz STNKOMUCLCYRRH-LLVKDONJSA-N 0 0 423.878 4.248 20 5 HIBDRN COc1ccc(CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000506264534 914871357 /nfs/dbraw/zinc/87/13/57/914871357.db2.gz QOZQYIUYRHWYJC-UHFFFAOYSA-N 0 0 422.428 4.475 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000493475630 905135317 /nfs/dbraw/zinc/13/53/17/905135317.db2.gz CZICZKHZKBPHMJ-CQSZACIVSA-N 0 0 421.478 4.434 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000493562886 905163355 /nfs/dbraw/zinc/16/33/55/905163355.db2.gz JZSRGDFBPVRKQN-QGZVFWFLSA-N 0 0 401.488 4.251 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(N3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000493916088 905267097 /nfs/dbraw/zinc/26/70/97/905267097.db2.gz GSEWBLRJGKHVGO-KRWDZBQOSA-N 0 0 424.501 4.100 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1[N+](=O)[O-] ZINC000493951588 905302244 /nfs/dbraw/zinc/30/22/44/905302244.db2.gz CMXPCVYMFFKHOH-OAHLLOKOSA-N 0 0 415.449 4.290 20 5 HIBDRN COc1ccc(CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@H](CO)C(C)C)cc1 ZINC000493965825 905315155 /nfs/dbraw/zinc/31/51/55/905315155.db2.gz WULZBNGLNKBJCJ-HXUWFJFHSA-N 0 0 415.490 4.271 20 5 HIBDRN COc1cc(CN(C)Cc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494021503 905364045 /nfs/dbraw/zinc/36/40/45/905364045.db2.gz XEJLXOJXNPCIMU-UHFFFAOYSA-N 0 0 420.334 4.297 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000512417340 921145166 /nfs/dbraw/zinc/14/51/66/921145166.db2.gz YIAFXUXCOJUZAP-CZUORRHYSA-N 0 0 419.503 4.290 20 5 HIBDRN COC(=O)c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl ZINC000494078950 905415351 /nfs/dbraw/zinc/41/53/51/905415351.db2.gz MNCPFYOLSIOJGO-UHFFFAOYSA-N 0 0 403.822 4.231 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000512418875 921146722 /nfs/dbraw/zinc/14/67/22/921146722.db2.gz SWXRBVUZFCRJCO-SFHVURJKSA-N 0 0 412.339 4.333 20 5 HIBDRN O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000494127069 905469121 /nfs/dbraw/zinc/46/91/21/905469121.db2.gz HDWIUQMVFZWMJY-GQCTYLIASA-N 0 0 410.333 4.481 20 5 HIBDRN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000494185876 905520895 /nfs/dbraw/zinc/52/08/95/905520895.db2.gz NNDWXGRLIQCJIZ-OAHLLOKOSA-N 0 0 421.910 4.028 20 5 HIBDRN Cc1ccc(CNC(=O)C2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cc1F 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BWVWESHPBCHQHC-LJQANCHMSA-N 0 0 403.866 4.310 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)cc1[N+](=O)[O-] ZINC000494457231 905739753 /nfs/dbraw/zinc/73/97/53/905739753.db2.gz ZAVOCSJIGGDJJA-XUEUYAKLSA-N 0 0 419.485 4.389 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000494464476 905746891 /nfs/dbraw/zinc/74/68/91/905746891.db2.gz KFVPBAGAEAUXDR-FCHUYYIVSA-N 0 0 409.486 4.498 20 5 HIBDRN COc1cc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc(OC)c1C(C)C ZINC000494487747 905769882 /nfs/dbraw/zinc/76/98/82/905769882.db2.gz QPAKZZDLVRHFSX-UHFFFAOYSA-N 0 0 411.414 4.242 20 5 HIBDRN O=[N+]([O-])c1cccc(N(C2CCCC2)S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000494497520 905786554 /nfs/dbraw/zinc/78/65/54/905786554.db2.gz SWQHZPGMAMMLLC-UHFFFAOYSA-N 0 0 403.485 4.342 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)o2)cc1 ZINC000494501187 905793636 /nfs/dbraw/zinc/79/36/36/905793636.db2.gz CDCAMNQJEISVNL-AEFFLSMTSA-N 0 0 418.812 4.057 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000494610774 905861828 /nfs/dbraw/zinc/86/18/28/905861828.db2.gz DTAOGJDIXFBGJW-UHFFFAOYSA-N 0 0 403.485 4.069 20 5 HIBDRN Cc1c[nH]c(-c2ccccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000494618009 905866250 /nfs/dbraw/zinc/86/62/50/905866250.db2.gz CIKCSCISOMEHOZ-UHFFFAOYSA-N 0 0 408.461 4.492 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000494637573 905876707 /nfs/dbraw/zinc/87/67/07/905876707.db2.gz PFMYQIXBOSLOOD-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN NC(=O)C[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000512489279 921196565 /nfs/dbraw/zinc/19/65/65/921196565.db2.gz OSGGFRQQZSQJOF-FQEVSTJZSA-N 0 0 421.478 4.093 20 5 HIBDRN Cc1nc(C(F)(F)F)ccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000512489754 921196660 /nfs/dbraw/zinc/19/66/60/921196660.db2.gz HXISTAUWOLORIL-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN CCOc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1[N+](=O)[O-] ZINC000512494589 921199555 /nfs/dbraw/zinc/19/95/55/921199555.db2.gz QJCWTGKQIFRVCQ-IBGZPJMESA-N 0 0 417.893 4.214 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(-n2cccn2)cc1 ZINC000494996095 906156849 /nfs/dbraw/zinc/15/68/49/906156849.db2.gz FROGVWPZAKOSQZ-UHFFFAOYSA-N 0 0 419.363 4.240 20 5 HIBDRN COc1ccc(C2(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)cc1 ZINC000495037736 906194956 /nfs/dbraw/zinc/19/49/56/906194956.db2.gz SGYVXGAAPPJUGK-UHFFFAOYSA-N 0 0 409.364 4.111 20 5 HIBDRN O=[N+]([O-])c1cnc2c(c1)CN([C@H](c1nc(-c3ccccc3)no1)c1ccccc1)CC2 ZINC000495449908 906457427 /nfs/dbraw/zinc/45/74/27/906457427.db2.gz HNVBUCHJNLRDTR-NRFANRHFSA-N 0 0 413.437 4.188 20 5 HIBDRN COc1ccccc1CN(C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000512560539 921237449 /nfs/dbraw/zinc/23/74/49/921237449.db2.gz ULDVEUYVRPCHBZ-CALCHBBNSA-N 0 0 411.502 4.358 20 5 HIBDRN O=C(Nc1cnn(CC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000495477235 906474781 /nfs/dbraw/zinc/47/47/81/906474781.db2.gz IWCKIAXVGDALCJ-UHFFFAOYSA-N 0 0 419.363 4.218 20 5 HIBDRN CC(C)OC(=O)c1c(NC(=O)Cc2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000512564043 921239658 /nfs/dbraw/zinc/23/96/58/921239658.db2.gz HJLHNPADRNMRNX-UHFFFAOYSA-N 0 0 402.472 4.282 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(OC2CCCCC2)CC1 ZINC000495606331 906512764 /nfs/dbraw/zinc/51/27/64/906512764.db2.gz CUWYNFCPZMUUAB-UHFFFAOYSA-N 0 0 415.534 4.152 20 5 HIBDRN CCc1cc(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2[nH]1 ZINC000512582295 921248845 /nfs/dbraw/zinc/24/88/45/921248845.db2.gz LYXUJMMQBNEGAL-UHFFFAOYSA-N 0 0 405.332 4.270 20 5 HIBDRN CNS(=O)(=O)c1ccc(C)c(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000512590797 921252340 /nfs/dbraw/zinc/25/23/40/921252340.db2.gz SHKWNJJZSDGYOX-UHFFFAOYSA-N 0 0 417.512 4.152 20 5 HIBDRN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000496496752 906695243 /nfs/dbraw/zinc/69/52/43/906695243.db2.gz POCJIQWAHKSIJV-JOCHJYFZSA-N 0 0 411.408 4.449 20 5 HIBDRN CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000496531182 906704258 /nfs/dbraw/zinc/70/42/58/906704258.db2.gz BDKVHORVYGENDZ-JOCHJYFZSA-N 0 0 411.408 4.449 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@@H]1CCSC1 ZINC000496598596 906717804 /nfs/dbraw/zinc/71/78/04/906717804.db2.gz IVBZUZAEPILJGS-OAHLLOKOSA-N 0 0 405.907 4.438 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000496611271 906719731 /nfs/dbraw/zinc/71/97/31/906719731.db2.gz KKEKIZJZHBOUEM-QGZVFWFLSA-N 0 0 413.455 4.133 20 5 HIBDRN CCCOc1ccc(C(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2SCC)cc1 ZINC000496626801 906723847 /nfs/dbraw/zinc/72/38/47/906723847.db2.gz AKIFVZDOUHMCSW-UHFFFAOYSA-N 0 0 402.472 4.108 20 5 HIBDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000496869162 906770944 /nfs/dbraw/zinc/77/09/44/906770944.db2.gz RAXSGIZIDPANRA-UHFFFAOYSA-N 0 0 401.488 4.020 20 5 HIBDRN Cc1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CCO2)ccc1F ZINC000497351066 906846282 /nfs/dbraw/zinc/84/62/82/906846282.db2.gz GFFVFRGGXUFLTA-KRWDZBQOSA-N 0 0 423.238 4.019 20 5 HIBDRN Cc1ccccc1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n(C)n1 ZINC000497351813 906847831 /nfs/dbraw/zinc/84/78/31/906847831.db2.gz BIPAFCSOTCUPEI-UHFFFAOYSA-N 0 0 402.357 4.157 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)[C@H](C)CO2)c1 ZINC000497364485 906855445 /nfs/dbraw/zinc/85/54/45/906855445.db2.gz IOLBNJKIXYFENW-AUUYWEPGSA-N 0 0 420.412 4.415 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000497376643 906864256 /nfs/dbraw/zinc/86/42/56/906864256.db2.gz MOFDRLPWXLYGRW-CABCVRRESA-N 0 0 413.503 4.146 20 5 HIBDRN COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccccc1 ZINC000497417097 906891872 /nfs/dbraw/zinc/89/18/72/906891872.db2.gz MDNCOCDQIYYECW-UHFFFAOYSA-N 0 0 406.438 4.421 20 5 HIBDRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000497418021 906891989 /nfs/dbraw/zinc/89/19/89/906891989.db2.gz 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ZINC000507137090 915884624 /nfs/dbraw/zinc/88/46/24/915884624.db2.gz XNBRJOKFTPNKJB-INIZCTEOSA-N 0 0 423.441 4.023 20 5 HIBDRN C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccc(Cl)cn1 ZINC000507164188 915902878 /nfs/dbraw/zinc/90/28/78/915902878.db2.gz XFEHUKHLLZUCOF-SNVBAGLBSA-N 0 0 413.811 4.499 20 5 HIBDRN CC(C)(CCCc1ccccc1)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000507280695 916046675 /nfs/dbraw/zinc/04/66/75/916046675.db2.gz LVBJOPNAYXINDQ-UHFFFAOYSA-N 0 0 417.893 4.352 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000507287025 916053857 /nfs/dbraw/zinc/05/38/57/916053857.db2.gz XKYFWOAGGJVNCJ-ZDUSSCGKSA-N 0 0 403.485 4.066 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c([N+](=O)[O-])c1 ZINC000507432444 916202001 /nfs/dbraw/zinc/20/20/01/916202001.db2.gz XTHNGQPKUZVZDZ-UHFFFAOYSA-N 0 0 415.446 4.002 20 5 HIBDRN CCCCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1OC ZINC000507454309 916224090 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4.126 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000507598786 916353236 /nfs/dbraw/zinc/35/32/36/916353236.db2.gz CWJXPTRAOOXXPD-JTQLQIEISA-N 0 0 424.198 4.156 20 5 HIBDRN CC(C)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000507614809 916372126 /nfs/dbraw/zinc/37/21/26/916372126.db2.gz WQZTVPJGKALAOZ-UHFFFAOYSA-N 0 0 413.293 4.209 20 5 HIBDRN CS(=O)(=O)c1cc(SCc2csc(-c3ccsc3)n2)ccc1[N+](=O)[O-] ZINC000507650229 916410397 /nfs/dbraw/zinc/41/03/97/916410397.db2.gz LNCNGJRFRCBEAY-UHFFFAOYSA-N 0 0 412.539 4.476 20 5 HIBDRN C[C@H](NC(=O)C1(c2cc(F)cc(Br)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000507672654 916438260 /nfs/dbraw/zinc/43/82/60/916438260.db2.gz LHHLIVJSKCPYQE-NSHDSACASA-N 0 0 407.239 4.405 20 5 HIBDRN O=C(CC[S@@](=O)Cc1ccc(Cl)cc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000507694530 916470891 /nfs/dbraw/zinc/47/08/91/916470891.db2.gz OVBRIYVJYQQIIQ-RUZDIDTESA-N 0 0 401.271 4.179 20 5 HIBDRN COc1cc(-c2noc(-c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)n2)ccn1 ZINC000507703015 916485218 /nfs/dbraw/zinc/48/52/18/916485218.db2.gz NHRXYAASRSBSTO-CYBMUJFWSA-N 0 0 418.413 4.284 20 5 HIBDRN Cc1nc(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n(C2CCCCC2)c1C ZINC000507826998 916629673 /nfs/dbraw/zinc/62/96/73/916629673.db2.gz XVNRICPUGLSNKP-UHFFFAOYSA-N 0 0 413.446 4.165 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)C3Cc4ccccc4C3)cc2[N+](=O)[O-])C1 ZINC000507967766 916819938 /nfs/dbraw/zinc/81/99/38/916819938.db2.gz HQXKSMWZNDRCNL-CALCHBBNSA-N 0 0 407.514 4.317 20 5 HIBDRN Cc1c(C(=O)N(CC2CCCCC2)c2ccccn2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000507970990 916823218 /nfs/dbraw/zinc/82/32/18/916823218.db2.gz CEOMNHXPDSMACO-UHFFFAOYSA-N 0 0 420.473 4.106 20 5 HIBDRN CNC(=O)c1cccc(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000508028488 916862040 /nfs/dbraw/zinc/86/20/40/916862040.db2.gz ZCCHKPJMVHERPQ-UHFFFAOYSA-N 0 0 417.465 4.120 20 5 HIBDRN COc1cc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C)ccc1[N+](=O)[O-] ZINC000508119068 916935960 /nfs/dbraw/zinc/93/59/60/916935960.db2.gz QKXIKEWOSWCCEC-UHFFFAOYSA-N 0 0 419.503 4.093 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N([C@@H](C)c1ccccc1)C1CCCC1 ZINC000508126865 916944274 /nfs/dbraw/zinc/94/42/74/916944274.db2.gz GOYXNGXLLDCDSY-HNNXBMFYSA-N 0 0 404.488 4.298 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCc2cc(Cl)cc(Cl)c21 ZINC000508195311 917016344 /nfs/dbraw/zinc/01/63/44/917016344.db2.gz VXDPMQBRNSEKAW-UHFFFAOYSA-N 0 0 418.240 4.075 20 5 HIBDRN Cc1c(Br)cc(C(=O)NCCc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000508211382 917029093 /nfs/dbraw/zinc/02/90/93/917029093.db2.gz KLBQNIVRWHINNO-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN COc1cc(N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(F)cc1[N+](=O)[O-] ZINC000508245710 917062594 /nfs/dbraw/zinc/06/25/94/917062594.db2.gz HARMIGSJTLDQFZ-LJQANCHMSA-N 0 0 419.840 4.348 20 5 HIBDRN COc1cc(NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c(F)cc1[N+](=O)[O-] ZINC000508251917 917070113 /nfs/dbraw/zinc/07/01/13/917070113.db2.gz YOKDNEPONHAJOS-LBPRGKRZSA-N 0 0 402.344 4.024 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCCc2nccs2)cc1 ZINC000508325198 917130251 /nfs/dbraw/zinc/13/02/51/917130251.db2.gz MRGLTGGHOSPKQI-UHFFFAOYSA-N 0 0 413.455 4.215 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(-c2ccc(Br)cc2)ncn1C ZINC000508355521 917156139 /nfs/dbraw/zinc/15/61/39/917156139.db2.gz BNWDZVHJZGKLHT-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN CC(C)(COc1ccc(C(F)(F)F)cn1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000508368894 917169324 /nfs/dbraw/zinc/16/93/24/917169324.db2.gz CZESJKBTFJGJRE-UHFFFAOYSA-N 0 0 424.379 4.163 20 5 HIBDRN COC(=O)c1occc1CN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H](C)c1ccccn1 ZINC000508502102 917286948 /nfs/dbraw/zinc/28/69/48/917286948.db2.gz GXDVKPYHCMFTKV-HNNXBMFYSA-N 0 0 423.425 4.081 20 5 HIBDRN Cc1cc(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)no1 ZINC000508535490 917316069 /nfs/dbraw/zinc/31/60/69/917316069.db2.gz STRRRVJZDVPKDW-UHFFFAOYSA-N 0 0 403.442 4.376 20 5 HIBDRN CCCc1c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cnn1-c1ccccc1C ZINC000508584963 917356510 /nfs/dbraw/zinc/35/65/10/917356510.db2.gz ACBSGVJOCCZWCU-UHFFFAOYSA-N 0 0 404.430 4.170 20 5 HIBDRN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000508610211 917379880 /nfs/dbraw/zinc/37/98/80/917379880.db2.gz NVITYXBPVJHEFN-UHFFFAOYSA-N 0 0 408.849 4.019 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCc1nc(Cc2cc(F)cc(Br)c2)no1 ZINC000508643162 917408860 /nfs/dbraw/zinc/40/88/60/917408860.db2.gz DPSFFVZHLDOUDU-UHFFFAOYSA-N 0 0 407.199 4.082 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000508771718 917526273 /nfs/dbraw/zinc/52/62/73/917526273.db2.gz ZAQCTSZGBIBVMN-UHFFFAOYSA-N 0 0 401.507 4.405 20 5 HIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000508963091 917720072 /nfs/dbraw/zinc/72/00/72/917720072.db2.gz BBUNKVKGHSMKPA-UHFFFAOYSA-N 0 0 413.428 4.128 20 5 HIBDRN O=C(c1cn2cc(Cl)cc(Cl)c2n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000508987410 917741645 /nfs/dbraw/zinc/74/16/45/917741645.db2.gz NDRSNHWBDBSCCQ-UHFFFAOYSA-N 0 0 405.241 4.354 20 5 HIBDRN COc1ccc(CN(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000509024601 917779197 /nfs/dbraw/zinc/77/91/97/917779197.db2.gz QTRQAUYHZALYJK-UHFFFAOYSA-N 0 0 406.438 4.455 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(F)c1 ZINC000509027619 917782415 /nfs/dbraw/zinc/78/24/15/917782415.db2.gz XKGBVPGQMQHFMK-UHFFFAOYSA-N 0 0 418.137 4.038 20 5 HIBDRN CC[C@H](C)[C@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000509041575 917795280 /nfs/dbraw/zinc/79/52/80/917795280.db2.gz RRPXESHRRKXMFF-DJJJIMSYSA-N 0 0 417.893 4.076 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000509051572 917801275 /nfs/dbraw/zinc/80/12/75/917801275.db2.gz HGRHHCAMVKFNEJ-UHFFFAOYSA-N 0 0 416.817 4.212 20 5 HIBDRN C[C@@H](NC(=O)CSc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000509080316 917824177 /nfs/dbraw/zinc/82/41/77/917824177.db2.gz HMJCLNYDVKBLLA-LLVKDONJSA-N 0 0 400.378 4.463 20 5 HIBDRN Cc1nn(C)c(C)c1[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000509081895 917825188 /nfs/dbraw/zinc/82/51/88/917825188.db2.gz IJPUMYVPDRDFCJ-GOSISDBHSA-N 0 0 423.395 4.036 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000509093666 917834634 /nfs/dbraw/zinc/83/46/34/917834634.db2.gz JBLUYCFOWSXOJS-UHFFFAOYSA-N 0 0 421.478 4.256 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)cc1 ZINC000509105938 917844852 /nfs/dbraw/zinc/84/48/52/917844852.db2.gz CFEYXTWYAJELCR-UHFFFAOYSA-N 0 0 412.870 4.129 20 5 HIBDRN CC1(c2nc3ccccc3s2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000509173755 917886828 /nfs/dbraw/zinc/88/68/28/917886828.db2.gz ZAKFTHLEJVIYRQ-UHFFFAOYSA-N 0 0 423.541 4.008 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000509302725 917981880 /nfs/dbraw/zinc/98/18/80/917981880.db2.gz NLTRXQKVHKKMPP-LLVKDONJSA-N 0 0 416.259 4.016 20 5 HIBDRN CCOc1ccccc1[C@H](CC)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000509308302 917984286 /nfs/dbraw/zinc/98/42/86/917984286.db2.gz XDLVPURTIPTAEO-IBGZPJMESA-N 0 0 408.458 4.275 20 5 HIBDRN COc1cc(CN(C)Cc2cc(Br)cs2)c([N+](=O)[O-])cc1OC ZINC000509399229 918065099 /nfs/dbraw/zinc/06/50/99/918065099.db2.gz AXFZRXHKVNNDKG-UHFFFAOYSA-N 0 0 401.282 4.068 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C(C)C ZINC000509418505 918079263 /nfs/dbraw/zinc/07/92/63/918079263.db2.gz UNBNCIOFVAWJIU-HNNXBMFYSA-N 0 0 416.259 4.159 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCCc4nn(C)cc43)c([N+](=O)[O-])c2)cc1 ZINC000509449905 918102482 /nfs/dbraw/zinc/10/24/82/918102482.db2.gz DCAZKQJMEVACKS-GOSISDBHSA-N 0 0 405.458 4.379 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000509463541 918113149 /nfs/dbraw/zinc/11/31/49/918113149.db2.gz LITRQGAGWMSVEI-INIZCTEOSA-N 0 0 422.407 4.118 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000509530128 918177554 /nfs/dbraw/zinc/17/75/54/918177554.db2.gz XLLOCLWNVNZAMZ-CQSZACIVSA-N 0 0 416.259 4.159 20 5 HIBDRN CS(=O)(=O)c1ccc(-c2nc(CSc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000509653325 918290605 /nfs/dbraw/zinc/29/06/05/918290605.db2.gz OFSONECBGVTUKS-UHFFFAOYSA-N 0 0 406.510 4.414 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc1 ZINC000509655586 918292305 /nfs/dbraw/zinc/29/23/05/918292305.db2.gz SMUHNZIDLGUWFD-HXUWFJFHSA-N 0 0 410.451 4.064 20 5 HIBDRN CC(C)[C@@H](NC(=O)CSc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCCO2 ZINC000509668706 918300609 /nfs/dbraw/zinc/30/06/09/918300609.db2.gz RFBVADNATQADFB-OAQYLSRUSA-N 0 0 416.499 4.362 20 5 HIBDRN Cc1cccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1[N+](=O)[O-] ZINC000509687546 918318012 /nfs/dbraw/zinc/31/80/12/918318012.db2.gz JHODXIFGXLSGPP-UHFFFAOYSA-N 0 0 422.403 4.400 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccccc2N2CCCC2=O)cc1[N+](=O)[O-] ZINC000509702387 918333166 /nfs/dbraw/zinc/33/31/66/918333166.db2.gz XVLSMWKOGLLXHJ-UHFFFAOYSA-N 0 0 418.247 4.045 20 5 HIBDRN CCc1cnccc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000509755432 918371580 /nfs/dbraw/zinc/37/15/80/918371580.db2.gz MQXCKFSFQJBVAI-UHFFFAOYSA-N 0 0 400.485 4.143 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000509809736 918413136 /nfs/dbraw/zinc/41/31/36/918413136.db2.gz FMYAJZDMPHCBSR-UHFFFAOYSA-N 0 0 411.502 4.263 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1c(-c2cccs2)nc2ccccn21 ZINC000509827176 918427705 /nfs/dbraw/zinc/42/77/05/918427705.db2.gz PAIDZGPCDGISEW-UHFFFAOYSA-N 0 0 407.455 4.412 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000509944244 918539267 /nfs/dbraw/zinc/53/92/67/918539267.db2.gz YEHONKOELLXWPS-RDJZCZTQSA-N 0 0 424.423 4.270 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC(n3c(C)ccc3C)CC2)cc1[N+](=O)[O-] ZINC000509955807 918549037 /nfs/dbraw/zinc/54/90/37/918549037.db2.gz XWYZDJKDSFGZBW-UHFFFAOYSA-N 0 0 417.531 4.119 20 5 HIBDRN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000509973548 918563355 /nfs/dbraw/zinc/56/33/55/918563355.db2.gz QRGJNVCHSLTRHK-LBPRGKRZSA-N 0 0 405.248 4.104 20 5 HIBDRN CCCCCn1nc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2c1=O ZINC000509983260 918570373 /nfs/dbraw/zinc/57/03/73/918570373.db2.gz OQQOCVLVTVHLCW-UHFFFAOYSA-N 0 0 420.469 4.088 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccccc1OC[C@H]1CCCCO1 ZINC000510001922 918585955 /nfs/dbraw/zinc/58/59/55/918585955.db2.gz IVJMZZPKRGLHIE-OAHLLOKOSA-N 0 0 402.472 4.274 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC000510007903 918590499 /nfs/dbraw/zinc/59/04/99/918590499.db2.gz ZZQXIAHHLGURFS-UHFFFAOYSA-N 0 0 419.275 4.391 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nnc3n2CCC3)c1 ZINC000510015532 918594258 /nfs/dbraw/zinc/59/42/58/918594258.db2.gz SLGLQPIIEAHJQP-UHFFFAOYSA-N 0 0 420.473 4.242 20 5 HIBDRN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000510041611 918613457 /nfs/dbraw/zinc/61/34/57/918613457.db2.gz PNZOKVIBIWALPV-UGSOOPFHSA-N 0 0 419.275 4.255 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000510080843 918648463 /nfs/dbraw/zinc/64/84/63/918648463.db2.gz BKTYCRYIZDNWRL-UHFFFAOYSA-N 0 0 413.817 4.374 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000510111725 918672557 /nfs/dbraw/zinc/67/25/57/918672557.db2.gz FYZDHLYFTSFBKN-UHFFFAOYSA-N 0 0 413.437 4.134 20 5 HIBDRN O=C(Nc1cc(F)c(Br)cc1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000510114351 918675969 /nfs/dbraw/zinc/67/59/69/918675969.db2.gz UXFHBBWSBYXQOM-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000510369155 918857190 /nfs/dbraw/zinc/85/71/90/918857190.db2.gz KLUMHYUESDVFJH-UHFFFAOYSA-N 0 0 423.473 4.378 20 5 HIBDRN CC[C@H](C)Oc1ccc(NC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000510538841 918984173 /nfs/dbraw/zinc/98/41/73/918984173.db2.gz OCVKVYKWFDJRDX-AWEZNQCLSA-N 0 0 417.462 4.154 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000510601065 919042372 /nfs/dbraw/zinc/04/23/72/919042372.db2.gz PSWNYNATDCIRBM-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(NCCNc3cccc(C)n3)c([N+](=O)[O-])c2)cc1 ZINC000510636306 919076711 /nfs/dbraw/zinc/07/67/11/919076711.db2.gz AVWRJPBRYVQRLN-UHFFFAOYSA-N 0 0 405.458 4.383 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000510649427 919089800 /nfs/dbraw/zinc/08/98/00/919089800.db2.gz HWSDPGXHOWVPAE-AWEZNQCLSA-N 0 0 411.393 4.195 20 5 HIBDRN CC1(c2ccccc2)CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000510679950 919119664 /nfs/dbraw/zinc/11/96/64/919119664.db2.gz HQWHNDXEUXSFDH-UHFFFAOYSA-N 0 0 407.514 4.392 20 5 HIBDRN Cc1cn(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)c2)c(=O)[nH]1 ZINC000510696785 919134412 /nfs/dbraw/zinc/13/44/12/919134412.db2.gz FHOOEBNXEZHHDC-UHFFFAOYSA-N 0 0 406.320 4.066 20 5 HIBDRN COc1ccc(Cl)cc1N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000510715279 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INJOSJGBZAGROU-UHFFFAOYSA-N 0 0 424.379 4.403 20 5 HIBDRN CCOc1cccc2cc([C@@H](C)NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)oc21 ZINC000519139899 927801826 /nfs/dbraw/zinc/80/18/26/927801826.db2.gz FKHDTHNVRCUYHF-CQSZACIVSA-N 0 0 420.425 4.416 20 5 HIBDRN COCCOc1c(Cl)cccc1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000519168251 927808737 /nfs/dbraw/zinc/80/87/37/927808737.db2.gz QXOWZBSXOOEDHS-LBPRGKRZSA-N 0 0 418.837 4.497 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C ZINC000519169579 927809962 /nfs/dbraw/zinc/80/99/62/927809962.db2.gz PUPRALWVFCOECU-KRWDZBQOSA-N 0 0 424.501 4.277 20 5 HIBDRN Cc1ccc(OC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1C ZINC000519174732 927811735 /nfs/dbraw/zinc/81/17/35/927811735.db2.gz ZLIULQBGSMNOIG-UHFFFAOYSA-N 0 0 424.906 4.097 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Br)cc1 ZINC000519339170 927888229 /nfs/dbraw/zinc/88/82/29/927888229.db2.gz IJHYWIFHFWGSGX-UHFFFAOYSA-N 0 0 421.294 4.234 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)cc1[N+](=O)[O-] ZINC000519592460 928025886 /nfs/dbraw/zinc/02/58/86/928025886.db2.gz ODTVTLQMVFVIPC-UHFFFAOYSA-N 0 0 415.837 4.073 20 5 HIBDRN COc1cccc(C2(c3noc(-c4ccc(OC(F)F)c([N+](=O)[O-])c4)n3)CC2)c1 ZINC000519726295 928060601 /nfs/dbraw/zinc/06/06/01/928060601.db2.gz QZLKTYCTWBASOP-UHFFFAOYSA-N 0 0 403.341 4.335 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCc3nc4ccccc4o3)cc2[N+](=O)[O-])C1 ZINC000519849006 928095310 /nfs/dbraw/zinc/09/53/10/928095310.db2.gz HYYWWTFOPFAATA-IYBDPMFKSA-N 0 0 422.485 4.191 20 5 HIBDRN C[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CC1 ZINC000519873972 928107129 /nfs/dbraw/zinc/10/71/29/928107129.db2.gz JZOYBEJWPHEVDF-MRXNPFEDSA-N 0 0 409.486 4.154 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](C)c2ccc(OC)cc2)c([N+](=O)[O-])cc1OCC ZINC000519906103 928139633 /nfs/dbraw/zinc/13/96/33/928139633.db2.gz IFXHZPBZSUPLIG-CYBMUJFWSA-N 0 0 403.435 4.284 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC000519915084 928149071 /nfs/dbraw/zinc/14/90/71/928149071.db2.gz RPLWLMPBLXSNPQ-LBPRGKRZSA-N 0 0 420.874 4.035 20 5 HIBDRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000519945607 928178784 /nfs/dbraw/zinc/17/87/84/928178784.db2.gz NIIICVPGMFBJAL-GOSISDBHSA-N 0 0 404.850 4.323 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C)OC(C)(C)C3)cc2[N+](=O)[O-])n1 ZINC000519951906 928184788 /nfs/dbraw/zinc/18/47/88/928184788.db2.gz HRHZVEXRVHNSJE-GFCCVEGCSA-N 0 0 407.517 4.150 20 5 HIBDRN CCn1c(SCCOc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1OC ZINC000520014185 928237696 /nfs/dbraw/zinc/23/76/96/928237696.db2.gz SGYKMTCAPYNJOR-UHFFFAOYSA-N 0 0 400.460 4.053 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000520028486 928251038 /nfs/dbraw/zinc/25/10/38/928251038.db2.gz CERQAUQAOSCDMJ-GFCCVEGCSA-N 0 0 419.311 4.417 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N(C)[C@H](C)c2ccccn2)cc1[N+](=O)[O-])c1ccccn1 ZINC000520089010 928303592 /nfs/dbraw/zinc/30/35/92/928303592.db2.gz VAHMAWQTYWNZFZ-HZPDHXFCSA-N 0 0 405.458 4.391 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl ZINC000520099344 928309018 /nfs/dbraw/zinc/30/90/18/928309018.db2.gz YEGDFGBJFZOUDM-UHFFFAOYSA-N 0 0 422.228 4.233 20 5 HIBDRN CCNc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000520189507 928377462 /nfs/dbraw/zinc/37/74/62/928377462.db2.gz WINCLHQHUZZXKP-GOSISDBHSA-N 0 0 421.457 4.444 20 5 HIBDRN O=C1[C@H](Sc2nnc(-c3cccc(Cl)c3)o2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000520225177 928399634 /nfs/dbraw/zinc/39/96/34/928399634.db2.gz ZWEFMNLHJOXLCI-OAHLLOKOSA-N 0 0 416.846 4.196 20 5 HIBDRN O=c1c(Cl)c(N2CCC[C@@H]2c2cccs2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000520245160 928414072 /nfs/dbraw/zinc/41/40/72/928414072.db2.gz ROAQIOVJAGNBDT-CQSZACIVSA-N 0 0 402.863 4.197 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCc2cc(Cl)cc(F)c21 ZINC000520256978 928423188 /nfs/dbraw/zinc/42/31/88/928423188.db2.gz NTOHKEFCBJMXRU-UHFFFAOYSA-N 0 0 400.797 4.166 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3n[nH]c(-c4ccccc4F)n3)cc2[N+](=O)[O-])C1 ZINC000520273409 928437493 /nfs/dbraw/zinc/43/74/93/928437493.db2.gz OHVHHOMUCFVXMR-CYBMUJFWSA-N 0 0 424.436 4.008 20 5 HIBDRN Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1NC(=O)c1ccncc1 ZINC000520308861 928469918 /nfs/dbraw/zinc/46/99/18/928469918.db2.gz QMVGLOQFUCPAKP-UHFFFAOYSA-N 0 0 410.817 4.456 20 5 HIBDRN CCc1nc([C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cs1 ZINC000520317914 928479048 /nfs/dbraw/zinc/47/90/48/928479048.db2.gz SUINRYYDVPOPJP-VIFPVBQESA-N 0 0 403.382 4.046 20 5 HIBDRN C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000520318745 928480473 /nfs/dbraw/zinc/48/04/73/928480473.db2.gz FXGDYISUBGHPKQ-UGSOOPFHSA-N 0 0 406.891 4.329 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000520382175 928535033 /nfs/dbraw/zinc/53/50/33/928535033.db2.gz ZULRRIDBYAADTL-SUMWQHHRSA-N 0 0 404.850 4.388 20 5 HIBDRN CC(C)C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1nc2ccccc2[nH]1 ZINC000520397576 928545942 /nfs/dbraw/zinc/54/59/42/928545942.db2.gz IGFJGBGLVOKARP-LJQANCHMSA-N 0 0 419.441 4.242 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000520436438 928564118 /nfs/dbraw/zinc/56/41/18/928564118.db2.gz XOHCGIQOTFUCFB-LJQANCHMSA-N 0 0 417.874 4.433 20 5 HIBDRN COCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000520438687 928566032 /nfs/dbraw/zinc/56/60/32/928566032.db2.gz NIYYAGXUIVWZNF-GJZGRUSLSA-N 0 0 406.866 4.252 20 5 HIBDRN Cc1cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])nn1-c1ccc(F)cc1F ZINC000520454524 928573927 /nfs/dbraw/zinc/57/39/27/928573927.db2.gz DAVCHAFETUXEGP-UHFFFAOYSA-N 0 0 415.400 4.074 20 5 HIBDRN CCOC(=O)c1c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)sc2c1CCSC2 ZINC000520467711 928583050 /nfs/dbraw/zinc/58/30/50/928583050.db2.gz FLIJUTFJWZIHDH-UHFFFAOYSA-N 0 0 406.485 4.183 20 5 HIBDRN O=C(C[C@H](c1cccs1)n1cccc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000520467654 928583154 /nfs/dbraw/zinc/58/31/54/928583154.db2.gz YUVMLIJUCAMKDT-LJQANCHMSA-N 0 0 408.483 4.278 20 5 HIBDRN Cc1c(CNC(=O)C(=O)Nc2ccc3oc4ccccc4c3c2)cccc1[N+](=O)[O-] ZINC000520477283 928589238 /nfs/dbraw/zinc/58/92/38/928589238.db2.gz NAHVMEBBYPZYQQ-UHFFFAOYSA-N 0 0 403.394 4.058 20 5 HIBDRN CC(C)(C)c1csc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000520528284 928620957 /nfs/dbraw/zinc/62/09/57/928620957.db2.gz YQCACYKIYGRPTK-UHFFFAOYSA-N 0 0 402.501 4.402 20 5 HIBDRN COCc1cccc2sc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)nc21 ZINC000520541493 928630328 /nfs/dbraw/zinc/63/03/28/928630328.db2.gz GICZPHODRLXVKY-NSHDSACASA-N 0 0 403.485 4.470 20 5 HIBDRN CCc1oc2ccccc2c1CN(C)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000520562366 928643808 /nfs/dbraw/zinc/64/38/08/928643808.db2.gz LEQFJCKTJUCVPO-UHFFFAOYSA-N 0 0 423.469 4.012 20 5 HIBDRN O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000520618252 928677739 /nfs/dbraw/zinc/67/77/39/928677739.db2.gz JNHTYVKKPKUYEH-UHFFFAOYSA-N 0 0 406.320 4.178 20 5 HIBDRN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)o1 ZINC000520710812 928759845 /nfs/dbraw/zinc/75/98/45/928759845.db2.gz UYOSLYKVMYMQEK-KUHUBIRLSA-N 0 0 406.442 4.302 20 5 HIBDRN COc1ccc(CC[C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000520716602 928764019 /nfs/dbraw/zinc/76/40/19/928764019.db2.gz QJLDQCZWFICHQW-KBPBESRZSA-N 0 0 406.866 4.162 20 5 HIBDRN C[C@H](NC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000520756360 928803412 /nfs/dbraw/zinc/80/34/12/928803412.db2.gz IESQJIPYRBTUOG-JECHBYEQSA-N 0 0 404.264 4.274 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCCc3ccc4ccccc4n3)cc2[N+](=O)[O-])C1 ZINC000520772465 928811015 /nfs/dbraw/zinc/81/10/15/928811015.db2.gz ZPPTWNQOSNTPML-QGZVFWFLSA-N 0 0 418.497 4.352 20 5 HIBDRN CC1CCC(OC2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)CC1 ZINC000520849265 928842240 /nfs/dbraw/zinc/84/22/40/928842240.db2.gz LLSGZVFFNJFRJQ-UHFFFAOYSA-N 0 0 400.479 4.205 20 5 HIBDRN CN(Cc1cccc(C(F)(F)F)c1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000520864440 928849825 /nfs/dbraw/zinc/84/98/25/928849825.db2.gz ROMSOPBFDAMHOO-UHFFFAOYSA-N 0 0 418.375 4.215 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)s2)cs1 ZINC000520962701 928892099 /nfs/dbraw/zinc/89/20/99/928892099.db2.gz PJBRTNPNGNDTKM-UHFFFAOYSA-N 0 0 412.496 4.359 20 5 HIBDRN O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520973193 928897956 /nfs/dbraw/zinc/89/79/56/928897956.db2.gz PATFQZDGTNUHBJ-UHFFFAOYSA-N 0 0 404.291 4.403 20 5 HIBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccc(OCc2cccnc2)c1 ZINC000520989674 928906561 /nfs/dbraw/zinc/90/65/61/928906561.db2.gz ZSLRCJTUINCKFR-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN O=C(Cc1csc(-c2cccs2)n1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000521000014 928917105 /nfs/dbraw/zinc/91/71/05/928917105.db2.gz HSWVLJBUECQCBZ-UHFFFAOYSA-N 0 0 411.468 4.147 20 5 HIBDRN CCCc1n[nH]c(C(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1[N+](=O)[O-] ZINC000521018245 928936044 /nfs/dbraw/zinc/93/60/44/928936044.db2.gz WMUNTWKXDIEHHI-SNVBAGLBSA-N 0 0 417.466 4.332 20 5 HIBDRN COc1ccc(-c2noc(Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1OC ZINC000521040842 928952958 /nfs/dbraw/zinc/95/29/58/928952958.db2.gz GZHVGTTZFQKESB-UHFFFAOYSA-N 0 0 413.433 4.270 20 5 HIBDRN COc1ccc(Cc2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1[N+](=O)[O-] ZINC000521049714 928961665 /nfs/dbraw/zinc/96/16/65/928961665.db2.gz MHQCYOLOCCUSIV-UHFFFAOYSA-N 0 0 404.382 4.432 20 5 HIBDRN CCOc1ccc(-c2nc(CC(=O)Nc3ccc([N+](=O)[O-])cc3F)cs2)cc1 ZINC000521118238 929006346 /nfs/dbraw/zinc/00/63/46/929006346.db2.gz ZGRRLIMJEKLZFN-UHFFFAOYSA-N 0 0 401.419 4.437 20 5 HIBDRN CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cc1 ZINC000521183200 929047893 /nfs/dbraw/zinc/04/78/93/929047893.db2.gz SVHVVXIGUHUOIO-UHFFFAOYSA-N 0 0 419.437 4.170 20 5 HIBDRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 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420.263 4.185 20 5 HIBDRN C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000521722853 929389203 /nfs/dbraw/zinc/38/92/03/929389203.db2.gz KXTSQEQKSNCSHI-ZDUSSCGKSA-N 0 0 411.845 4.009 20 5 HIBDRN CS(=O)(=O)c1ccc(Nc2ccc(Oc3ccc(CO)cc3)cc2)c([N+](=O)[O-])c1 ZINC000521727010 929392411 /nfs/dbraw/zinc/39/24/11/929392411.db2.gz RUUOJYKTCHTJMI-UHFFFAOYSA-N 0 0 414.439 4.027 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CNCCS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000521829117 929482563 /nfs/dbraw/zinc/48/25/63/929482563.db2.gz OCZXVRVABVHPJG-UHFFFAOYSA-N 0 0 420.874 4.072 20 5 HIBDRN Cc1ccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(OCC(F)(F)F)c1 ZINC000521877128 929524783 /nfs/dbraw/zinc/52/47/83/929524783.db2.gz AXMUXVXCMCFYRZ-UHFFFAOYSA-N 0 0 413.352 4.045 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(c1nc2ccccc2s1)c1ccccc1 ZINC000521930793 929569845 /nfs/dbraw/zinc/56/98/45/929569845.db2.gz ADUFTHLSCBLEBI-UHFFFAOYSA-N 0 0 407.455 4.464 20 5 HIBDRN O=C(NCCCCCOC1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 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0 0 408.435 4.405 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000533338735 931842559 /nfs/dbraw/zinc/84/25/59/931842559.db2.gz GVRMAQVEOJVLMO-QFIPXVFZSA-N 0 0 411.502 4.472 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@H](c4ccc(F)c(F)c4)C3)o2)c1 ZINC000533412943 931860888 /nfs/dbraw/zinc/86/08/88/931860888.db2.gz MZUSPSVEMRJZQF-FQEVSTJZSA-N 0 0 415.396 4.144 20 5 HIBDRN CC1CCC(OC2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000533419676 931862418 /nfs/dbraw/zinc/86/24/18/931862418.db2.gz IKJQTMSRIWILTJ-UHFFFAOYSA-N 0 0 409.914 4.246 20 5 HIBDRN Cc1sc2nc(SCCn3cc([N+](=O)[O-])cn3)n(C3CCCC3)c(=O)c2c1C ZINC000533447406 931871604 /nfs/dbraw/zinc/87/16/04/931871604.db2.gz UJAJRQSAUBBHPB-UHFFFAOYSA-N 0 0 419.532 4.087 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000533512914 931890725 /nfs/dbraw/zinc/89/07/25/931890725.db2.gz UMJIQIJHZGUCMM-UHFFFAOYSA-N 0 0 419.437 4.277 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCC[C@@H](COc3ccccc3Cl)C2)c2c(c1)COCO2 ZINC000533606882 931920732 /nfs/dbraw/zinc/92/07/32/931920732.db2.gz PVDGJZFEIJHUTF-OAHLLOKOSA-N 0 0 418.877 4.406 20 5 HIBDRN CN(C(=O)c1cc(C(=O)OC(C)(C)C)n(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000533607294 931922117 /nfs/dbraw/zinc/92/21/17/931922117.db2.gz URRXJHMVAQEBEI-UHFFFAOYSA-N 0 0 422.441 4.012 20 5 HIBDRN O=C(Nc1cccnc1-c1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000533663302 931956233 /nfs/dbraw/zinc/95/62/33/931956233.db2.gz BJUBEZWGQGQRMA-UHFFFAOYSA-N 0 0 403.442 4.011 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc(-c4cccnc4)[nH]n3)cc2[N+](=O)[O-])C1 ZINC000533676392 931964372 /nfs/dbraw/zinc/96/43/72/931964372.db2.gz NNRQOUONHQNSMR-HUUCEWRRSA-N 0 0 420.473 4.115 20 5 HIBDRN O=C(C[C@@H]1COCCN1C(=O)c1cc2ccccc2c2cccnc12)c1ccco1 ZINC000533700332 931977523 /nfs/dbraw/zinc/97/75/23/931977523.db2.gz VGBGNDVHCPHCOZ-QGZVFWFLSA-N 0 0 400.434 4.095 20 5 HIBDRN CC(=O)c1ccc2c(c1)CCN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000533736944 932000412 /nfs/dbraw/zinc/00/04/12/932000412.db2.gz OGLOJRWAYLKMCW-UHFFFAOYSA-N 0 0 421.478 4.162 20 5 HIBDRN C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(OCC2CC2)c(F)c1 ZINC000533805583 932040329 /nfs/dbraw/zinc/04/03/29/932040329.db2.gz UMCABJYOURJGEZ-AWEZNQCLSA-N 0 0 413.449 4.352 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000533841032 932054785 /nfs/dbraw/zinc/05/47/85/932054785.db2.gz OXSSCDYEJRNUSM-UHFFFAOYSA-N 0 0 406.467 4.241 20 5 HIBDRN CC(C)(C(=O)Nc1cccc2c1CN(c1ccccn1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000533843289 932056277 /nfs/dbraw/zinc/05/62/77/932056277.db2.gz KRWJDYSCGZGBIO-UHFFFAOYSA-N 0 0 402.454 4.426 20 5 HIBDRN O=C(Nc1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1)c1ccoc1 ZINC000533856678 932064805 /nfs/dbraw/zinc/06/48/05/932064805.db2.gz APVOTJOILIEZTR-UHFFFAOYSA-N 0 0 406.398 4.030 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](CC)c2c(C)noc2C)c([N+](=O)[O-])cc1OCC ZINC000533876578 932076308 /nfs/dbraw/zinc/07/63/08/932076308.db2.gz QACXJXGMGWUECU-CYBMUJFWSA-N 0 0 406.439 4.270 20 5 HIBDRN COc1ccc(OCCSc2nnc(C)n2[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000533888612 932082708 /nfs/dbraw/zinc/08/27/08/932082708.db2.gz OYCYMWVSZLWAAY-UKRRQHHQSA-N 0 0 406.508 4.426 20 5 HIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000533932245 932107200 /nfs/dbraw/zinc/10/72/00/932107200.db2.gz BQTLHZUDASSFEG-UHFFFAOYSA-N 0 0 401.221 4.066 20 5 HIBDRN Cc1c(CC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000533931294 932107230 /nfs/dbraw/zinc/10/72/30/932107230.db2.gz JWBGQTPRUZXFLL-UHFFFAOYSA-N 0 0 411.285 4.164 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Nc2cccc3c2CN(c2nccs2)C3)cccc1[N+](=O)[O-] ZINC000533950430 932124818 /nfs/dbraw/zinc/12/48/18/932124818.db2.gz JPCRLPJRLHCZII-CQSZACIVSA-N 0 0 423.498 4.319 20 5 HIBDRN C[C@H](c1ccccc1Br)N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000533959013 932135032 /nfs/dbraw/zinc/13/50/32/932135032.db2.gz PCFZKJHYPPAUTD-CYBMUJFWSA-N 0 0 406.280 4.302 20 5 HIBDRN Cc1ccc(-c2ncco2)cc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000534014614 932196343 /nfs/dbraw/zinc/19/63/43/932196343.db2.gz VDEYTDNUUXIBIL-UHFFFAOYSA-N 0 0 404.382 4.124 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](c2cccnc2)C2CC2)c([N+](=O)[O-])cc1OCC ZINC000534042124 932218154 /nfs/dbraw/zinc/21/81/54/932218154.db2.gz PYKTWOCFJUIMNH-IBGZPJMESA-N 0 0 400.435 4.060 20 5 HIBDRN CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CCO1 ZINC000534048110 932224673 /nfs/dbraw/zinc/22/46/73/932224673.db2.gz LORFXHWPXYXVFL-GOSISDBHSA-N 0 0 400.431 4.037 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C[C@H]1O ZINC000534120103 932287743 /nfs/dbraw/zinc/28/77/43/932287743.db2.gz WSLAPAZMOFJXBH-SJKOYZFVSA-N 0 0 406.891 4.242 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCc2ccc(Cl)cc2C1 ZINC000534160313 932307885 /nfs/dbraw/zinc/30/78/85/932307885.db2.gz ZQLRWNFHYKVIIL-UHFFFAOYSA-N 0 0 402.881 4.393 20 5 HIBDRN COc1ccc(CNC(=O)Cn2c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000534177863 932317695 /nfs/dbraw/zinc/31/76/95/932317695.db2.gz OVTGGTUUBTUPBI-UHFFFAOYSA-N 0 0 422.485 4.317 20 5 HIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534231432 932350915 /nfs/dbraw/zinc/35/09/15/932350915.db2.gz XNAJHMJBOTTXSV-UHFFFAOYSA-N 0 0 417.469 4.459 20 5 HIBDRN COc1cccc(Oc2ncccc2CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000534257864 932369438 /nfs/dbraw/zinc/36/94/38/932369438.db2.gz QJMFQSRZJBISBT-UHFFFAOYSA-N 0 0 418.409 4.202 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC(F)F)c(OC)c1 ZINC000534261669 932370833 /nfs/dbraw/zinc/37/08/33/932370833.db2.gz KOFSPHXVSNOGFS-UHFFFAOYSA-N 0 0 412.414 4.247 20 5 HIBDRN O=C(Nc1cccc(C(F)F)c1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000534287903 932376022 /nfs/dbraw/zinc/37/60/22/932376022.db2.gz GFXZQRVULSMCDK-UHFFFAOYSA-N 0 0 418.137 4.389 20 5 HIBDRN O=C(Nc1cccc(Cl)c1F)c1cc(I)cc([N+](=O)[O-])c1 ZINC000534297514 932377611 /nfs/dbraw/zinc/37/76/11/932377611.db2.gz XOJZQVDIWSQFEV-UHFFFAOYSA-N 0 0 420.565 4.244 20 5 HIBDRN Cc1c(CC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000534366401 932397761 /nfs/dbraw/zinc/39/77/61/932397761.db2.gz UTQUCMSPYXAWNG-UHFFFAOYSA-N 0 0 403.438 4.014 20 5 HIBDRN CN1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534391592 932415583 /nfs/dbraw/zinc/41/55/83/932415583.db2.gz UFBIQOHDJNUNDJ-QFBILLFUSA-N 0 0 417.824 4.309 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534391547 932415642 /nfs/dbraw/zinc/41/56/42/932415642.db2.gz QHYPCMBCXVHHIB-SJLPKXTDSA-N 0 0 423.897 4.284 20 5 HIBDRN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCCCOc1ccccc1C(F)(F)F ZINC000534398563 932423222 /nfs/dbraw/zinc/42/32/22/932423222.db2.gz FFTWRTHPJXOGBV-UHFFFAOYSA-N 0 0 423.347 4.290 20 5 HIBDRN CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000534489637 932527237 /nfs/dbraw/zinc/52/72/37/932527237.db2.gz SMTFQXIOLYMGGE-GHTZIAJQSA-N 0 0 419.441 4.039 20 5 HIBDRN CC[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1c(C)noc1C ZINC000534542951 932554662 /nfs/dbraw/zinc/55/46/62/932554662.db2.gz AIRJUJDYAOSTPF-ZDUSSCGKSA-N 0 0 401.341 4.022 20 5 HIBDRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000534567698 932570259 /nfs/dbraw/zinc/57/02/59/932570259.db2.gz CZGYARABGSZWRS-INIZCTEOSA-N 0 0 422.485 4.200 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000534570913 932573383 /nfs/dbraw/zinc/57/33/83/932573383.db2.gz FUBKHSCHSNRIOU-UHFFFAOYSA-N 0 0 417.771 4.169 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000534597601 932583262 /nfs/dbraw/zinc/58/32/62/932583262.db2.gz FDPQLEFBFKINCW-UHFFFAOYSA-N 0 0 405.410 4.132 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000534598016 932583328 /nfs/dbraw/zinc/58/33/28/932583328.db2.gz ITPSRXATGBRASW-MRXNPFEDSA-N 0 0 415.449 4.463 20 5 HIBDRN Cc1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1[C@@H]1CCC[C@H](C)C1 ZINC000534607848 932591492 /nfs/dbraw/zinc/59/14/92/932591492.db2.gz BSHMGHCCDJACQX-BLLLJJGKSA-N 0 0 404.492 4.405 20 5 HIBDRN O=C([C@H]1COc2ccc(Br)cc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000534663210 932632151 /nfs/dbraw/zinc/63/21/51/932632151.db2.gz WYAUTFFGZJOZAQ-KRWDZBQOSA-N 0 0 417.259 4.025 20 5 HIBDRN CC(C)(C)Cc1nc(-c2cccc(C(=O)NCCc3cccc([N+](=O)[O-])c3)c2)no1 ZINC000534730908 932699863 /nfs/dbraw/zinc/69/98/63/932699863.db2.gz MJLLSEOZKYRWBI-UHFFFAOYSA-N 0 0 408.458 4.206 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)cc([N+](=O)[O-])c1OC ZINC000534739010 932709772 /nfs/dbraw/zinc/70/97/72/932709772.db2.gz ZVFONDRYDARQGG-SNVBAGLBSA-N 0 0 413.257 4.280 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000534751595 932726464 /nfs/dbraw/zinc/72/64/64/932726464.db2.gz ILTDWULMYLZTHA-UHFFFAOYSA-N 0 0 420.347 4.299 20 5 HIBDRN CCOc1ccc(F)c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1F ZINC000534770384 932751135 /nfs/dbraw/zinc/75/11/35/932751135.db2.gz IAJCCNYTVZIZCC-UHFFFAOYSA-N 0 0 418.299 4.134 20 5 HIBDRN C[C@@H](SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCc1cccs1 ZINC000534794302 932775045 /nfs/dbraw/zinc/77/50/45/932775045.db2.gz RPVYMVHHSMYNMT-GFCCVEGCSA-N 0 0 403.485 4.249 20 5 HIBDRN O=[N+]([O-])c1sc(N2CCc3ccsc3C2)nc1N1CCc2ccsc2C1 ZINC000534826837 932797073 /nfs/dbraw/zinc/79/70/73/932797073.db2.gz XJEXYCPURFQAEZ-UHFFFAOYSA-N 0 0 404.542 4.300 20 5 HIBDRN COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000534898919 932828723 /nfs/dbraw/zinc/82/87/23/932828723.db2.gz ZCRGZAFZHNTBTD-ZDUSSCGKSA-N 0 0 421.291 4.317 20 5 HIBDRN O=C(NC1(c2ccc(F)cc2F)CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000534916312 932837018 /nfs/dbraw/zinc/83/70/18/932837018.db2.gz JRNXHEDFYVBSNK-UHFFFAOYSA-N 0 0 413.380 4.326 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1Cl ZINC000534949750 932854312 /nfs/dbraw/zinc/85/43/12/932854312.db2.gz CKLUCTPKMCJFMX-UHFFFAOYSA-N 0 0 412.826 4.295 20 5 HIBDRN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CC1 ZINC000534980951 932874752 /nfs/dbraw/zinc/87/47/52/932874752.db2.gz IPNRDIKUIIBXDL-AWEZNQCLSA-N 0 0 412.877 4.249 20 5 HIBDRN CCN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000535023622 932887306 /nfs/dbraw/zinc/88/73/06/932887306.db2.gz PICKWPRPOMEDOC-UHFFFAOYSA-N 0 0 414.174 4.005 20 5 HIBDRN COc1cc2nc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)sc2cc1OC ZINC000535032080 932888531 /nfs/dbraw/zinc/88/85/31/932888531.db2.gz SXGLGMKAUXYMBD-UHFFFAOYSA-N 0 0 410.411 4.022 20 5 HIBDRN CO[C@@H]1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000535047442 932891817 /nfs/dbraw/zinc/89/18/17/932891817.db2.gz HCRXXSQEVQFCNH-APWZRJJASA-N 0 0 403.866 4.039 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000535054419 932893477 /nfs/dbraw/zinc/89/34/77/932893477.db2.gz IGOGPAAKQRWHTD-DABQJJPHSA-N 0 0 407.517 4.197 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NC3C[C@@H](C)O[C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000535054421 932893490 /nfs/dbraw/zinc/89/34/90/932893490.db2.gz IGOGPAAKQRWHTD-VXGBXAGGSA-N 0 0 407.517 4.197 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000535066593 932896157 /nfs/dbraw/zinc/89/61/57/932896157.db2.gz UFMTZOSQRAXPBA-UHFFFAOYSA-N 0 0 412.437 4.270 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N(C)C[C@H]3CCC[C@H]3O)cc2[N+](=O)[O-])cc1 ZINC000535131054 932949875 /nfs/dbraw/zinc/94/98/75/932949875.db2.gz VNWRXWGPWIRHTC-VQIMIIECSA-N 0 0 400.500 4.287 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CCCO)Cc1cccc(Cl)c1 ZINC000535281678 933047594 /nfs/dbraw/zinc/04/75/94/933047594.db2.gz VXAIRXWLRHILBK-UHFFFAOYSA-N 0 0 416.783 4.292 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(Br)ccc1O ZINC000535413469 933123369 /nfs/dbraw/zinc/12/33/69/933123369.db2.gz SBYOMIBYRPZHOR-MRVPVSSYSA-N 0 0 415.627 4.122 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000535444384 933138657 /nfs/dbraw/zinc/13/86/57/933138657.db2.gz AQCIAHFRHUJYSE-UHFFFAOYSA-N 0 0 417.874 4.109 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CN(c1nccs1)C2 ZINC000535453180 933145594 /nfs/dbraw/zinc/14/55/94/933145594.db2.gz ZINSGCNVDLMNPB-UHFFFAOYSA-N 0 0 412.496 4.302 20 5 HIBDRN O=C(Nc1cccc2c1CN(c1nccs1)C2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535475328 933167455 /nfs/dbraw/zinc/16/74/55/933167455.db2.gz LVLGNQYGPFSGHL-UHFFFAOYSA-N 0 0 421.482 4.162 20 5 HIBDRN COc1ccccc1[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000535509763 933203112 /nfs/dbraw/zinc/20/31/12/933203112.db2.gz BVQZANHEIGMWQE-QFIPXVFZSA-N 0 0 418.453 4.092 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc(Sc2ccccc2)ns1 ZINC000535521646 933212257 /nfs/dbraw/zinc/21/22/57/933212257.db2.gz ZFKDTAUGQCLKND-UHFFFAOYSA-N 0 0 411.468 4.260 20 5 HIBDRN Cn1c2ccccc2nc1[C@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535553306 933238879 /nfs/dbraw/zinc/23/88/79/933238879.db2.gz MGZFAGQLVUEATH-HXUWFJFHSA-N 0 0 403.442 4.474 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCN(Cc4ccccc4Cl)CC3)co2)cc1 ZINC000535556962 933241886 /nfs/dbraw/zinc/24/18/86/933241886.db2.gz XTXFFBSMFHOUTA-UHFFFAOYSA-N 0 0 412.877 4.221 20 5 HIBDRN Cc1ccc(Br)c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000535609569 933266385 /nfs/dbraw/zinc/26/63/85/933266385.db2.gz HYROKNWNFJYTIS-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC(c2nc3ccccc3s2)C1 ZINC000535666383 933312811 /nfs/dbraw/zinc/31/28/11/933312811.db2.gz STOHKYPGXUVWBY-NSHDSACASA-N 0 0 416.890 4.284 20 5 HIBDRN O=C(Nc1nnc(SCc2ccccc2)s1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000535700287 933353884 /nfs/dbraw/zinc/35/38/84/933353884.db2.gz UDRVGQKHPHAXKZ-UHFFFAOYSA-N 0 0 411.468 4.472 20 5 HIBDRN C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000535702546 933356580 /nfs/dbraw/zinc/35/65/80/933356580.db2.gz UOPIJJHDGMCWCA-OYHNWAKOSA-N 0 0 423.469 4.131 20 5 HIBDRN 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HIBDRN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000537347688 933728560 /nfs/dbraw/zinc/72/85/60/933728560.db2.gz NXXHIVOOHZGKCK-UHFFFAOYSA-N 0 0 411.502 4.001 20 5 HIBDRN CC[C@H]1c2ccsc2CCN1C(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000537346795 933728706 /nfs/dbraw/zinc/72/87/06/933728706.db2.gz CRHWICIIVHCGQU-HNNXBMFYSA-N 0 0 404.879 4.195 20 5 HIBDRN O=C1[C@H](Sc2ncccc2[N+](=O)[O-])CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000537349762 933730559 /nfs/dbraw/zinc/73/05/59/933730559.db2.gz VHTMDMACIGNPTE-OAHLLOKOSA-N 0 0 411.405 4.292 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)CC(C)C)CC1 ZINC000537482481 933792379 /nfs/dbraw/zinc/79/23/79/933792379.db2.gz RBDPDXCWVXNFNK-UHFFFAOYSA-N 0 0 421.563 4.254 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000537521832 933799565 /nfs/dbraw/zinc/79/95/65/933799565.db2.gz OAKZZCKFCXZWKU-UHFFFAOYSA-N 0 0 406.426 4.016 20 5 HIBDRN CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccc(Br)cn1 ZINC000562509483 945095337 /nfs/dbraw/zinc/09/53/37/945095337.db2.gz QDWLAEOJOAUFGJ-UHFFFAOYSA-N 0 0 404.142 4.048 20 5 HIBDRN O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000562568524 945099771 /nfs/dbraw/zinc/09/97/71/945099771.db2.gz YYXHEYVDGGSAJZ-UHFFFAOYSA-N 0 0 421.456 4.144 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](CSc2ccccc2)C1 ZINC000562752671 945114400 /nfs/dbraw/zinc/11/44/00/945114400.db2.gz BPZYLIGKZKYUBE-INIZCTEOSA-N 0 0 409.515 4.492 20 5 HIBDRN CC(C)[C@@H]1CN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCO1 ZINC000562894109 945142097 /nfs/dbraw/zinc/14/20/97/945142097.db2.gz MZAHFVCSFLBNRC-IERDGZPVSA-N 0 0 412.490 4.050 20 5 HIBDRN CCCOC1(c2noc(-c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)n2)CCCCC1 ZINC000562899940 945145949 /nfs/dbraw/zinc/14/59/49/945145949.db2.gz KOODTPJNSPZYRQ-UHFFFAOYSA-N 0 0 412.450 4.120 20 5 HIBDRN Cc1cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)nn1-c1cccc(Cl)c1 ZINC000537522676 938315704 /nfs/dbraw/zinc/31/57/04/938315704.db2.gz 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O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000537636811 938342323 /nfs/dbraw/zinc/34/23/23/938342323.db2.gz XRRQRMLKVWVIDX-QGZVFWFLSA-N 0 0 400.328 4.048 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 ZINC000537691558 938356055 /nfs/dbraw/zinc/35/60/55/938356055.db2.gz RVYAKWOVLFLDNX-UHFFFAOYSA-N 0 0 414.290 4.306 20 5 HIBDRN CS(=O)(=O)Nc1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000537722235 938363181 /nfs/dbraw/zinc/36/31/81/938363181.db2.gz JEEXGZURSKGOSP-UHFFFAOYSA-N 0 0 403.485 4.307 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000537729204 938364461 /nfs/dbraw/zinc/36/44/61/938364461.db2.gz FHSWYPJFWPRLGO-OAHLLOKOSA-N 0 0 417.893 4.212 20 5 HIBDRN Cc1ccc([C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])N2CCCC2)o1 ZINC000537731221 938365024 /nfs/dbraw/zinc/36/50/24/938365024.db2.gz WOBXRQYPOQYEMD-IBGZPJMESA-N 0 0 420.469 4.125 20 5 HIBDRN Cc1nc([C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)no1 ZINC000537790949 938376638 /nfs/dbraw/zinc/37/66/38/938376638.db2.gz PDFSXPOGIOVBPB-KRWDZBQOSA-N 0 0 421.240 4.041 20 5 HIBDRN O=C(NCc1cc(Cl)sc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000537801159 938379374 /nfs/dbraw/zinc/37/93/74/938379374.db2.gz BCDNRNDFJSDALR-UHFFFAOYSA-N 0 0 414.314 4.496 20 5 HIBDRN CCOc1cc(N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000537831387 938385664 /nfs/dbraw/zinc/38/56/64/938385664.db2.gz QIWFRJZKCUYRHI-MRXNPFEDSA-N 0 0 412.490 4.423 20 5 HIBDRN Cc1ccc([C@H](C)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000537943436 938426473 /nfs/dbraw/zinc/42/64/73/938426473.db2.gz NWMFVWCPCLEZSE-IWMITWMQSA-N 0 0 403.910 4.279 20 5 HIBDRN CCCN1C(=O)CCc2cc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc21 ZINC000538032818 938473944 /nfs/dbraw/zinc/47/39/44/938473944.db2.gz WCXBDGDVEOVYJC-UHFFFAOYSA-N 0 0 422.485 4.481 20 5 HIBDRN CC[C@H](CSC)N(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000538034245 938475056 /nfs/dbraw/zinc/47/50/56/938475056.db2.gz DFMKFTFNERLANQ-GOEBONIOSA-N 0 0 402.520 4.377 20 5 HIBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000538040965 938477985 /nfs/dbraw/zinc/47/79/85/938477985.db2.gz CXUBOVKMZIVRDW-MGPLVRAMSA-N 0 0 411.227 4.002 20 5 HIBDRN CC[C@@H](CSC)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000538244907 938572426 /nfs/dbraw/zinc/57/24/26/938572426.db2.gz PWKIRRINPYSGDO-AWEZNQCLSA-N 0 0 419.469 4.088 20 5 HIBDRN C[C@H](NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000538248203 938573795 /nfs/dbraw/zinc/57/37/95/938573795.db2.gz AEYVFHHJEQZBAN-NSHDSACASA-N 0 0 417.878 4.019 20 5 HIBDRN COc1ccc(O[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 ZINC000538252856 938574840 /nfs/dbraw/zinc/57/48/40/938574840.db2.gz SZFXNIYEFXVBKY-CQSZACIVSA-N 0 0 404.488 4.301 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000538291891 938584772 /nfs/dbraw/zinc/58/47/72/938584772.db2.gz XEKMTMSTTGSFIR-WILYLXEWSA-N 0 0 405.401 4.072 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000538313100 938590399 /nfs/dbraw/zinc/59/03/99/938590399.db2.gz LRAWMRUSOHOUNK-UHFFFAOYSA-N 0 0 406.442 4.446 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(c2ccccc2Br)CC1 ZINC000538331719 938594965 /nfs/dbraw/zinc/59/49/65/938594965.db2.gz NBGVRLZJVQYLDN-UHFFFAOYSA-N 0 0 419.275 4.218 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000538405044 938612924 /nfs/dbraw/zinc/61/29/24/938612924.db2.gz SKQMBXMLZDNZHR-HNAYVOBHSA-N 0 0 417.259 4.209 20 5 HIBDRN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(F)(c2cccnc2)CC1 ZINC000563465499 945191519 /nfs/dbraw/zinc/19/15/19/945191519.db2.gz NZTBWVXSUCIKOP-UHFFFAOYSA-N 0 0 401.441 4.177 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000538533312 938643066 /nfs/dbraw/zinc/64/30/66/938643066.db2.gz YPIWQKGQAOKAOM-UHFFFAOYSA-N 0 0 415.450 4.459 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1c(C)nn(C)c1C ZINC000538550433 938646891 /nfs/dbraw/zinc/64/68/91/938646891.db2.gz ZMHHXUBHIZIDFD-UHFFFAOYSA-N 0 0 404.536 4.200 20 5 HIBDRN Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000538550682 938646911 /nfs/dbraw/zinc/64/69/11/938646911.db2.gz FJZNFNGPQGESDF-OAHLLOKOSA-N 0 0 401.850 4.048 20 5 HIBDRN COc1cc(CCC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)ccc1OCC(F)(F)F ZINC000538551464 938647107 /nfs/dbraw/zinc/64/71/07/938647107.db2.gz GCWZFWQQFNHZTA-UHFFFAOYSA-N 0 0 412.364 4.424 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCSc2ccncc21 ZINC000538559418 938649196 /nfs/dbraw/zinc/64/91/96/938649196.db2.gz GELQJAWMHSEHGP-UHFFFAOYSA-N 0 0 406.467 4.354 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000538560838 938649476 /nfs/dbraw/zinc/64/94/76/938649476.db2.gz YSLKHRIUJAWRMN-UHFFFAOYSA-N 0 0 407.536 4.008 20 5 HIBDRN CC(C)C[C@@H]1C[C@H](NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CCO1 ZINC000538566345 938651251 /nfs/dbraw/zinc/65/12/51/938651251.db2.gz RFTZDOZUNHBSPG-QXAKKESOSA-N 0 0 403.523 4.155 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000538578491 938653723 /nfs/dbraw/zinc/65/37/23/938653723.db2.gz KAXCIJFBRMBZLG-MRXNPFEDSA-N 0 0 423.238 4.069 20 5 HIBDRN COc1ccc(CNC(=O)c2c(C)cc(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000538675142 938681952 /nfs/dbraw/zinc/68/19/52/938681952.db2.gz NRTIUHAHBGBIJO-UHFFFAOYSA-N 0 0 413.655 4.258 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000538674010 938682045 /nfs/dbraw/zinc/68/20/45/938682045.db2.gz UWBSFIBLYAUYBG-VIFPVBQESA-N 0 0 411.384 4.028 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000538693383 938685542 /nfs/dbraw/zinc/68/55/42/938685542.db2.gz DBIBFRZRUNZICF-LIRRHRJNSA-N 0 0 412.490 4.239 20 5 HIBDRN COc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1-c1ccccn1 ZINC000538693501 938685571 /nfs/dbraw/zinc/68/55/71/938685571.db2.gz IGZHZGWTKALFCJ-UHFFFAOYSA-N 0 0 411.845 4.291 20 5 HIBDRN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000538700794 938686685 /nfs/dbraw/zinc/68/66/85/938686685.db2.gz FIWIXEXLXWBSKF-UHFFFAOYSA-N 0 0 421.856 4.344 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000538741265 938698613 /nfs/dbraw/zinc/69/86/13/938698613.db2.gz MHLNDZOXXABYDX-UHFFFAOYSA-N 0 0 404.426 4.420 20 5 HIBDRN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 ZINC000538743581 938699634 /nfs/dbraw/zinc/69/96/34/938699634.db2.gz PCWNNXQELXMNPS-UHFFFAOYSA-N 0 0 419.503 4.314 20 5 HIBDRN C[C@@H]1C[C@H](NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 ZINC000538794894 938713424 /nfs/dbraw/zinc/71/34/24/938713424.db2.gz YHKUCIPOTLRYJH-CZUORRHYSA-N 0 0 403.866 4.158 20 5 HIBDRN CC(C)(C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1)n1cc([N+](=O)[O-])cn1 ZINC000538804946 938717275 /nfs/dbraw/zinc/71/72/75/938717275.db2.gz QVVAHDXPGVEREY-UHFFFAOYSA-N 0 0 411.289 4.071 20 5 HIBDRN C[C@H]1CN(c2ccccc2NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000538824702 938720945 /nfs/dbraw/zinc/72/09/45/938720945.db2.gz CTRHPVFOVTWBFV-IRXDYDNUSA-N 0 0 421.501 4.221 20 5 HIBDRN C[C@](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)(c1ccccc1)C(F)(F)F ZINC000538855664 938726001 /nfs/dbraw/zinc/72/60/01/938726001.db2.gz CPGQMESUCXRPPL-FQEVSTJZSA-N 0 0 421.419 4.405 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3-c3nc[nH]n3)cc2[N+](=O)[O-])C1 ZINC000538897828 938733175 /nfs/dbraw/zinc/73/31/75/938733175.db2.gz DVPYYEHMEXZBBB-GJZGRUSLSA-N 0 0 420.473 4.115 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000538908729 938736066 /nfs/dbraw/zinc/73/60/66/938736066.db2.gz UKXNBZDZGOIPRT-HWPZZCPQSA-N 0 0 411.227 4.002 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000538988851 938761002 /nfs/dbraw/zinc/76/10/02/938761002.db2.gz DSHCLJXISPEHCQ-KSSFIOAISA-N 0 0 424.375 4.044 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc(Br)c3ccccc23)c(C)c1[N+](=O)[O-] ZINC000539097586 938802511 /nfs/dbraw/zinc/80/25/11/938802511.db2.gz ZIMPIMGSCQJKMR-UHFFFAOYSA-N 0 0 417.263 4.353 20 5 HIBDRN C[C@@H](C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000563498799 945205500 /nfs/dbraw/zinc/20/55/00/945205500.db2.gz MIANGATWTADTHK-GFCCVEGCSA-N 0 0 402.813 4.374 20 5 HIBDRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000539171101 938815215 /nfs/dbraw/zinc/81/52/15/938815215.db2.gz UQBVOEWDTRUPHR-QLJPJBMISA-N 0 0 411.227 4.002 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000539222548 938820831 /nfs/dbraw/zinc/82/08/31/938820831.db2.gz UPELMECIOAESLP-SECBINFHSA-N 0 0 408.785 4.307 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000539228926 938822153 /nfs/dbraw/zinc/82/21/53/938822153.db2.gz LAVIRABFUWTLEG-IRWQIABSSA-N 0 0 403.866 4.447 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000539228928 938822159 /nfs/dbraw/zinc/82/21/59/938822159.db2.gz LAVIRABFUWTLEG-SOVGHPHASA-N 0 0 403.866 4.447 20 5 HIBDRN C[C@H](NC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000539258418 938828351 /nfs/dbraw/zinc/82/83/51/938828351.db2.gz UUQFTVGMJRUSJD-JTQLQIEISA-N 0 0 421.244 4.365 20 5 HIBDRN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000539297122 938835978 /nfs/dbraw/zinc/83/59/78/938835978.db2.gz NPULRIKHGWBVSQ-UHFFFAOYSA-N 0 0 408.501 4.060 20 5 HIBDRN COc1cc(F)c([C@@H](C)N[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000539297722 938836274 /nfs/dbraw/zinc/83/62/74/938836274.db2.gz INMLIBYNXRRERJ-VXGBXAGGSA-N 0 0 416.409 4.213 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1nc2ccccc2s1 ZINC000563508201 945208507 /nfs/dbraw/zinc/20/85/07/945208507.db2.gz JYKLBWBIJCDZLJ-UHFFFAOYSA-N 0 0 420.288 4.248 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000539357846 938847906 /nfs/dbraw/zinc/84/79/06/938847906.db2.gz KWPHLKCTQFTQND-OAHLLOKOSA-N 0 0 403.508 4.075 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000539359357 938848113 /nfs/dbraw/zinc/84/81/13/938848113.db2.gz SOJSOUJWRFLGRC-UHFFFAOYSA-N 0 0 405.451 4.189 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000539372473 938850798 /nfs/dbraw/zinc/85/07/98/938850798.db2.gz CQTUBEMJGZQHGO-OAHLLOKOSA-N 0 0 417.535 4.288 20 5 HIBDRN O=C(N[C@H]1CCCOc2c(Cl)cccc21)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000539388017 938852624 /nfs/dbraw/zinc/85/26/24/938852624.db2.gz ILTQGDDPARIZMP-KRWDZBQOSA-N 0 0 401.850 4.230 20 5 HIBDRN CCOc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000539421465 938857899 /nfs/dbraw/zinc/85/78/99/938857899.db2.gz CIEPAMNMXPUSQI-NRFANRHFSA-N 0 0 401.438 4.120 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC000539431485 938859587 /nfs/dbraw/zinc/85/95/87/938859587.db2.gz KSKLTWAGJFIFID-IBGZPJMESA-N 0 0 417.465 4.336 20 5 HIBDRN COc1cc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c2ccccc2n1 ZINC000539435372 938860097 /nfs/dbraw/zinc/86/00/97/938860097.db2.gz WWBSTFXLIJOFQI-UHFFFAOYSA-N 0 0 414.421 4.144 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000539444827 938861737 /nfs/dbraw/zinc/86/17/37/938861737.db2.gz NGBZNFIWFZXKGJ-ZBFHGGJFSA-N 0 0 416.302 4.152 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(Cc2ccnc(OC(C)C)c2)C2CC2)c1 ZINC000539520452 938872895 /nfs/dbraw/zinc/87/28/95/938872895.db2.gz KIZLHBBMHNCZAC-UHFFFAOYSA-N 0 0 413.474 4.046 20 5 HIBDRN CCSc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1 ZINC000539541465 938876535 /nfs/dbraw/zinc/87/65/35/938876535.db2.gz LWUICJUSQZXTJX-OAHLLOKOSA-N 0 0 415.515 4.034 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000539549294 938878352 /nfs/dbraw/zinc/87/83/52/938878352.db2.gz MILXXHDNKJNUCJ-GXTWGEPZSA-N 0 0 418.471 4.254 20 5 HIBDRN CCOc1cc(NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c([N+](=O)[O-])cc1OCC ZINC000539601129 938886513 /nfs/dbraw/zinc/88/65/13/938886513.db2.gz GCGSZLLNIJLWDE-ZDUSSCGKSA-N 0 0 402.451 4.120 20 5 HIBDRN CC(C)(NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000539613655 938888136 /nfs/dbraw/zinc/88/81/36/938888136.db2.gz RMXUJBWFYLYZEN-MRXNPFEDSA-N 0 0 402.882 4.061 20 5 HIBDRN Cc1cc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nn1-c1cccc(Cl)c1 ZINC000539637590 938892047 /nfs/dbraw/zinc/89/20/47/938892047.db2.gz FBGANWKKHNONKT-UHFFFAOYSA-N 0 0 410.821 4.404 20 5 HIBDRN Cc1cc(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000539652796 938894497 /nfs/dbraw/zinc/89/44/97/938894497.db2.gz PTSGWZLVUKJJCK-UHFFFAOYSA-N 0 0 419.275 4.353 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000539665652 938897152 /nfs/dbraw/zinc/89/71/52/938897152.db2.gz OWWBSVCGACBVTL-UHFFFAOYSA-N 0 0 413.499 4.367 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000539679203 938899327 /nfs/dbraw/zinc/89/93/27/938899327.db2.gz FYWLURIYRZDANN-QGZVFWFLSA-N 0 0 420.462 4.116 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539701731 938906942 /nfs/dbraw/zinc/90/69/42/938906942.db2.gz BGXZTXCPUNUBCJ-MOPGFXCFSA-N 0 0 420.872 4.045 20 5 HIBDRN COc1ccc(C2(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)CCCC2)cc1OC ZINC000539706483 938907654 /nfs/dbraw/zinc/90/76/54/938907654.db2.gz BGNJYVWSPAMGHY-UHFFFAOYSA-N 0 0 410.470 4.009 20 5 HIBDRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000539755104 938922502 /nfs/dbraw/zinc/92/25/02/938922502.db2.gz LBPJZXQAUKWLJK-UHFFFAOYSA-N 0 0 403.410 4.277 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000539761318 938927086 /nfs/dbraw/zinc/92/70/86/938927086.db2.gz GAZMFEPEKZTDGN-INIZCTEOSA-N 0 0 406.446 4.100 20 5 HIBDRN COc1ccc(-c2ccc(CN3CCO[C@H](c4cccc(O)c4)C3)o2)c([N+](=O)[O-])c1 ZINC000539837105 938953123 /nfs/dbraw/zinc/95/31/23/938953123.db2.gz AIWYXEDTFUGDIS-QFIPXVFZSA-N 0 0 410.426 4.143 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000539856669 938959446 /nfs/dbraw/zinc/95/94/46/938959446.db2.gz PWENRCBDDSWSIY-UHFFFAOYSA-N 0 0 410.396 4.166 20 5 HIBDRN Cc1nc([C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)no1 ZINC000539993229 939031952 /nfs/dbraw/zinc/03/19/52/939031952.db2.gz WXDOAKMEYILKCX-HNNXBMFYSA-N 0 0 407.213 4.112 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000540000226 939034352 /nfs/dbraw/zinc/03/43/52/939034352.db2.gz AMVOPNRTPWOXCH-KZULUSFZSA-N 0 0 415.446 4.363 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000540013332 939039083 /nfs/dbraw/zinc/03/90/83/939039083.db2.gz OSQGQWGQEJSUCA-JLTOFOAXSA-N 0 0 401.438 4.184 20 5 HIBDRN C[C@H](C(=O)NC(C)(C)COc1ncc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000563587532 945224051 /nfs/dbraw/zinc/22/40/51/945224051.db2.gz OVJAZAPTPHVCLW-NSHDSACASA-N 0 0 412.273 4.374 20 5 HIBDRN CC[C@H](C)Oc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000563612602 945225038 /nfs/dbraw/zinc/22/50/38/945225038.db2.gz CHMAILCDPKIUIL-XJKSGUPXSA-N 0 0 417.487 4.077 20 5 HIBDRN O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000563614234 945226968 /nfs/dbraw/zinc/22/69/68/945226968.db2.gz YFJLWSBEXMQXKI-SFHVURJKSA-N 0 0 420.387 4.438 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000540210027 939129065 /nfs/dbraw/zinc/12/90/65/939129065.db2.gz PTHTYVZMGYHHPQ-DYESRHJHSA-N 0 0 409.486 4.084 20 5 HIBDRN CCN1CC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540224037 939139907 /nfs/dbraw/zinc/13/99/07/939139907.db2.gz NKHKBDVTQHMDEJ-IEBWSBKVSA-N 0 0 405.857 4.261 20 5 HIBDRN CCN(C)C(=O)c1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000563642677 945230422 /nfs/dbraw/zinc/23/04/22/945230422.db2.gz PWFVOWCESGBNMI-UHFFFAOYSA-N 0 0 424.501 4.175 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2cn(C)nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000540236625 939158111 /nfs/dbraw/zinc/15/81/11/939158111.db2.gz DYIJFSKLNUXPAG-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN COCC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1 ZINC000540301366 939187103 /nfs/dbraw/zinc/18/71/03/939187103.db2.gz XAQWVQVSBVHYIX-UHFFFAOYSA-N 0 0 414.458 4.284 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1cccc(Cl)c1 ZINC000540397817 939233876 /nfs/dbraw/zinc/23/38/76/939233876.db2.gz WHTHRDQDIBQZPL-UHFFFAOYSA-N 0 0 421.906 4.459 20 5 HIBDRN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000540407545 939237654 /nfs/dbraw/zinc/23/76/54/939237654.db2.gz NNHFAZLVDUOEIC-LSDHHAIUSA-N 0 0 421.457 4.183 20 5 HIBDRN COc1cc2c(cc1CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)O[C@H](C)C2 ZINC000540427419 939245129 /nfs/dbraw/zinc/24/51/29/939245129.db2.gz 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CCOc1cccc([N+](=O)[O-])c1C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000540544174 939299820 /nfs/dbraw/zinc/29/98/20/939299820.db2.gz HMAKSTWACYLVMJ-UHFFFAOYSA-N 0 0 406.438 4.469 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)c([N+](=O)[O-])cc1OC ZINC000540554830 939303912 /nfs/dbraw/zinc/30/39/12/939303912.db2.gz YPRTUNDPPLVIOG-UHFFFAOYSA-N 0 0 410.430 4.057 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)cc1OC ZINC000540575230 939309400 /nfs/dbraw/zinc/30/94/00/939309400.db2.gz QNJHLYIAYXTJGP-HNNXBMFYSA-N 0 0 420.849 4.299 20 5 HIBDRN C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000540587347 939311749 /nfs/dbraw/zinc/31/17/49/939311749.db2.gz BCQXLNYKJXDLCF-INIZCTEOSA-N 0 0 413.437 4.334 20 5 HIBDRN O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000540606992 939317883 /nfs/dbraw/zinc/31/78/83/939317883.db2.gz JTYZREUNDQQQBY-FXAWDEMLSA-N 0 0 413.271 4.151 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000540622432 939322392 /nfs/dbraw/zinc/32/23/92/939322392.db2.gz JOGBUGNTJPVTQI-OXQOHEQNSA-N 0 0 422.840 4.111 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000540624112 939322811 /nfs/dbraw/zinc/32/28/11/939322811.db2.gz VTLCKFOIHYBLJL-HNNXBMFYSA-N 0 0 422.281 4.412 20 5 HIBDRN CCc1oc2ccccc2c1CN(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000540649348 939330634 /nfs/dbraw/zinc/33/06/34/939330634.db2.gz NJAVQHHOZDHGON-UHFFFAOYSA-N 0 0 423.469 4.012 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(c1cccc(F)c1)C1CCOCC1 ZINC000540721168 939348838 /nfs/dbraw/zinc/34/88/38/939348838.db2.gz IBGVBQHNSNIXHE-UHFFFAOYSA-N 0 0 423.238 4.322 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000540732629 939351991 /nfs/dbraw/zinc/35/19/91/939351991.db2.gz ZNSSYKQNEOIYAS-GOSISDBHSA-N 0 0 400.500 4.179 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000540732631 939352231 /nfs/dbraw/zinc/35/22/31/939352231.db2.gz 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O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCCOc2cc(F)ccc21 ZINC000540790197 939373123 /nfs/dbraw/zinc/37/31/23/939373123.db2.gz KYEOIIFKUYFDPO-FQEVSTJZSA-N 0 0 416.452 4.324 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3C3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000540823760 939384643 /nfs/dbraw/zinc/38/46/43/939384643.db2.gz XZJAHHOISKAXTK-FUHIMQAGSA-N 0 0 415.534 4.108 20 5 HIBDRN COc1cc(CN2CCO[C@H](c3ccccc3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000540916255 939416655 /nfs/dbraw/zinc/41/66/55/939416655.db2.gz GPSSELJPZJFDNI-FQEVSTJZSA-N 0 0 422.428 4.129 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1cccs1 ZINC000540999148 939428305 /nfs/dbraw/zinc/42/83/05/939428305.db2.gz WOYDPKKCQGAFIX-GFCCVEGCSA-N 0 0 410.398 4.135 20 5 HIBDRN COc1ccc2c(c1)C[C@H](C)N(C(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)[C@H]2C ZINC000541003946 939429429 /nfs/dbraw/zinc/42/94/29/939429429.db2.gz FJZQRKXAFVPSBY-IRXDYDNUSA-N 0 0 423.513 4.354 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000541006316 939430035 /nfs/dbraw/zinc/43/00/35/939430035.db2.gz KSGZGTVDNBPHAN-CRAIPNDOSA-N 0 0 406.385 4.155 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2cc(C3CCCC3)nn2C)cc1[N+](=O)[O-] ZINC000541011329 939431040 /nfs/dbraw/zinc/43/10/40/939431040.db2.gz XPYYVNVFIMYGMG-UHFFFAOYSA-N 0 0 407.268 4.309 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CCO)c1ccccc1Br ZINC000541023852 939433481 /nfs/dbraw/zinc/43/34/81/939433481.db2.gz RAXFRMZTKBOJBB-SFHVURJKSA-N 0 0 423.307 4.358 20 5 HIBDRN O=C(Nc1nc2c(ccc(F)c2F)s1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541029780 939435611 /nfs/dbraw/zinc/43/56/11/939435611.db2.gz HTFBOSNCOJBWDR-UHFFFAOYSA-N 0 0 401.297 4.336 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000541061100 939446031 /nfs/dbraw/zinc/44/60/31/939446031.db2.gz BUQGBUFCXJCFDD-UHFFFAOYSA-N 0 0 419.363 4.240 20 5 HIBDRN Cc1ccc(CNC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1F ZINC000541067031 939447700 /nfs/dbraw/zinc/44/77/00/939447700.db2.gz OUJMYBWQFUDUOM-UHFFFAOYSA-N 0 0 419.884 4.224 20 5 HIBDRN COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000541069061 939448865 /nfs/dbraw/zinc/44/88/65/939448865.db2.gz NJXMOKALHMHFTF-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000541068934 939448869 /nfs/dbraw/zinc/44/88/69/939448869.db2.gz OTRZVUPMNRMZAM-KRWDZBQOSA-N 0 0 423.372 4.181 20 5 HIBDRN O=[N+]([O-])c1ccc(CSc2nnc(N3CCCC3)n2Cc2ccco2)c(Cl)c1 ZINC000541076182 939452393 /nfs/dbraw/zinc/45/23/93/939452393.db2.gz UYDREUXGZBTBBN-UHFFFAOYSA-N 0 0 419.894 4.374 20 5 HIBDRN Cc1cc(C(=O)N2CCSCC2)ccc1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000541077567 939452770 /nfs/dbraw/zinc/45/27/70/939452770.db2.gz UXELYHVIRYBMEG-UHFFFAOYSA-N 0 0 405.907 4.358 20 5 HIBDRN Cc1ccnc(OC2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000541109485 939463345 /nfs/dbraw/zinc/46/33/45/939463345.db2.gz KOLPPOWCIIPBEM-UHFFFAOYSA-N 0 0 405.458 4.111 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1[N+](=O)[O-] ZINC000541227108 939486542 /nfs/dbraw/zinc/48/65/42/939486542.db2.gz JMTRCYXMMHJYJW-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000541233959 939486777 /nfs/dbraw/zinc/48/67/77/939486777.db2.gz RFOCVWSJIRGCRJ-UHFFFAOYSA-N 0 0 424.476 4.000 20 5 HIBDRN CCCc1c(NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000541249215 939487555 /nfs/dbraw/zinc/48/75/55/939487555.db2.gz KGVUWRCZUNOZHH-UHFFFAOYSA-N 0 0 424.457 4.393 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000541250452 939487681 /nfs/dbraw/zinc/48/76/81/939487681.db2.gz DDKVYBLGTKCYBM-IJDCCNJMSA-N 0 0 423.498 4.335 20 5 HIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000541255421 939487832 /nfs/dbraw/zinc/48/78/32/939487832.db2.gz LZIFFFPPVFXODD-UHFFFAOYSA-N 0 0 412.248 4.393 20 5 HIBDRN Cc1ccc(OC2CCN(C(=O)CSc3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000541261997 939488182 /nfs/dbraw/zinc/48/81/82/939488182.db2.gz FFWVLXFQXOUZDI-UHFFFAOYSA-N 0 0 400.500 4.374 20 5 HIBDRN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541265938 939488508 /nfs/dbraw/zinc/48/85/08/939488508.db2.gz SWHKUBXOLWTMAX-MJGOQNOKSA-N 0 0 406.891 4.195 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000541270843 939488627 /nfs/dbraw/zinc/48/86/27/939488627.db2.gz SVDYBZNYTNJMPR-KUHUBIRLSA-N 0 0 406.891 4.234 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2csc(-c3ccccn3)n2)cc1[N+](=O)[O-] ZINC000541273402 939488812 /nfs/dbraw/zinc/48/88/12/939488812.db2.gz UOHAYBVDFOJMLH-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000541287672 939489437 /nfs/dbraw/zinc/48/94/37/939489437.db2.gz XBWRWKKXBHIJHC-UHFFFAOYSA-N 0 0 407.879 4.117 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc2c(cc1F)CCC(=O)N2 ZINC000541293318 939489726 /nfs/dbraw/zinc/48/97/26/939489726.db2.gz IFYFHOURFNTOGQ-UHFFFAOYSA-N 0 0 409.826 4.003 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2cccc(Cl)c2O1 ZINC000541326710 939490954 /nfs/dbraw/zinc/49/09/54/939490954.db2.gz RDUUAHDQAFWOJJ-AWEZNQCLSA-N 0 0 412.833 4.252 20 5 HIBDRN COc1ccc(C2(CNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC000541369890 939499111 /nfs/dbraw/zinc/49/91/11/939499111.db2.gz VRIXNSMSAOVCML-HNNXBMFYSA-N 0 0 400.500 4.322 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000541453124 939520318 /nfs/dbraw/zinc/52/03/18/939520318.db2.gz ZNMMJRWAZIVYFU-UHFFFAOYSA-N 0 0 415.837 4.073 20 5 HIBDRN CC(C)(NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000541474282 939530734 /nfs/dbraw/zinc/53/07/34/939530734.db2.gz BGQYHMVVHIDHLS-QGZVFWFLSA-N 0 0 410.518 4.453 20 5 HIBDRN CN(CCc1ccccc1O)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000541502800 939537939 /nfs/dbraw/zinc/53/79/39/939537939.db2.gz YKXJKCMFPJZOOE-UHFFFAOYSA-N 0 0 405.454 4.227 20 5 HIBDRN Cc1noc(COc2ccc(Nc3ncc([N+](=O)[O-])c(C)c3Br)cc2)n1 ZINC000541577874 939559123 /nfs/dbraw/zinc/55/91/23/939559123.db2.gz FMXJRUAJESXCKZ-UHFFFAOYSA-N 0 0 420.223 4.075 20 5 HIBDRN Cc1c(Br)c(Sc2nnc(-c3ccc(F)cc3)o2)ncc1[N+](=O)[O-] ZINC000541578877 939559390 /nfs/dbraw/zinc/55/93/90/939559390.db2.gz OJOZNOZQYTYPOC-UHFFFAOYSA-N 0 0 411.212 4.401 20 5 HIBDRN C[C@@H](C(=O)NCc1cc(Cl)ccc1OC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000541579856 939559394 /nfs/dbraw/zinc/55/93/94/939559394.db2.gz GMHRJDGHZAKXCN-SECBINFHSA-N 0 0 402.756 4.409 20 5 HIBDRN Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000541584607 939560557 /nfs/dbraw/zinc/56/05/57/939560557.db2.gz LCQMILYEONDYQD-QRWLVFNGSA-N 0 0 416.449 4.345 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1ccc([N+](=O)[O-])cc1F ZINC000541620482 939573035 /nfs/dbraw/zinc/57/30/35/939573035.db2.gz QSPROBSOBDIUKW-ZDUSSCGKSA-N 0 0 423.400 4.309 20 5 HIBDRN CSc1cnn(-c2ccccc2)c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541624208 939573828 /nfs/dbraw/zinc/57/38/28/939573828.db2.gz DOQWYCNLXJXYNH-GFCCVEGCSA-N 0 0 400.435 4.384 20 5 HIBDRN CC[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1nc(C(F)(F)F)cs1 ZINC000541636590 939579499 /nfs/dbraw/zinc/57/94/99/939579499.db2.gz ANTVAIPRWDCBHK-NSHDSACASA-N 0 0 413.381 4.361 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)c3ccccc32)cc1OC ZINC000541658142 939590946 /nfs/dbraw/zinc/59/09/46/939590946.db2.gz ZCOGVJAITFWDNU-HNNXBMFYSA-N 0 0 414.458 4.173 20 5 HIBDRN CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000541666482 939595836 /nfs/dbraw/zinc/59/58/36/939595836.db2.gz BNPOTZJBLVLTDF-ZDUSSCGKSA-N 0 0 423.466 4.018 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OCC(F)(F)F ZINC000541680916 939599495 /nfs/dbraw/zinc/59/94/95/939599495.db2.gz MQJBTBXYNOMMMW-JTQLQIEISA-N 0 0 416.327 4.426 20 5 HIBDRN C[C@@H](C(=O)NCCCC(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541681896 939600182 /nfs/dbraw/zinc/60/01/82/939600182.db2.gz INPYPZHCOVKIGM-GFCCVEGCSA-N 0 0 407.829 4.026 20 5 HIBDRN C[C@H](C(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541720373 939614055 /nfs/dbraw/zinc/61/40/55/939614055.db2.gz NRDGUXONFNQUDQ-KPZWWZAWSA-N 0 0 424.375 4.039 20 5 HIBDRN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541723704 939614759 /nfs/dbraw/zinc/61/47/59/939614759.db2.gz MIWQVKHEXVEIST-PBHICJAKSA-N 0 0 410.449 4.187 20 5 HIBDRN CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc2c1CCN2C(=O)COC ZINC000541740955 939618543 /nfs/dbraw/zinc/61/85/43/939618543.db2.gz MHFSFJYKAIOXLW-HNNXBMFYSA-N 0 0 415.515 4.113 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC3(CCOCC3)[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000541768219 939625837 /nfs/dbraw/zinc/62/58/37/939625837.db2.gz FVCWWRJINHPVFU-DLBZAZTESA-N 0 0 424.501 4.194 20 5 HIBDRN O=C(NCc1cccc(COCC(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541787341 939629973 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DJSLVRQHKGMPSC-SFHVURJKSA-N 0 0 422.338 4.127 20 5 HIBDRN Cn1cc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(-c2ccccc2)n1 ZINC000541995439 939673539 /nfs/dbraw/zinc/67/35/39/939673539.db2.gz RQMXUGBSECQUSA-UHFFFAOYSA-N 0 0 405.483 4.409 20 5 HIBDRN COC(=O)c1ccc(-c2nc(CSCc3cc([N+](=O)[O-])ccc3OC)co2)cc1 ZINC000542004005 939680298 /nfs/dbraw/zinc/68/02/98/939680298.db2.gz YPZXIABJKHHIGF-UHFFFAOYSA-N 0 0 414.439 4.478 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542031880 939693268 /nfs/dbraw/zinc/69/32/68/939693268.db2.gz HYUKAZPRJVWZGV-CYBMUJFWSA-N 0 0 405.476 4.162 20 5 HIBDRN COc1ccc(NC(=O)N(C)Cc2csc(Br)c2)cc1[N+](=O)[O-] ZINC000542036061 939695074 /nfs/dbraw/zinc/69/50/74/939695074.db2.gz GUGPRUNCSVPFGA-UHFFFAOYSA-N 0 0 400.254 4.091 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc2ccc(O)cc21 ZINC000542089443 939707282 /nfs/dbraw/zinc/70/72/82/939707282.db2.gz QVHVGBKBTGLFLD-UHFFFAOYSA-N 0 0 401.216 4.397 20 5 HIBDRN CC[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000542120700 939721335 /nfs/dbraw/zinc/72/13/35/939721335.db2.gz WOPPIXDRMYSGHB-LBPRGKRZSA-N 0 0 406.489 4.013 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCCc2c([nH]c3c2cccc3F)C1 ZINC000542162062 939738646 /nfs/dbraw/zinc/73/86/46/939738646.db2.gz QLNGDNMKKLBGCN-UHFFFAOYSA-N 0 0 405.227 4.326 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000542183772 939748322 /nfs/dbraw/zinc/74/83/22/939748322.db2.gz DYVULPDTJUUDOV-UHFFFAOYSA-N 0 0 424.284 4.019 20 5 HIBDRN CCC(CC)[C@@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000542202341 939755237 /nfs/dbraw/zinc/75/52/37/939755237.db2.gz ZPSVHHFEHHZVBA-ZBFHGGJFSA-N 0 0 400.928 4.440 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccnn1Cc1ccc(F)cc1 ZINC000542223410 939763740 /nfs/dbraw/zinc/76/37/40/939763740.db2.gz OXDCFXDQZBEPKF-UHFFFAOYSA-N 0 0 420.853 4.363 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(C)cc(Br)cc1Cl ZINC000542258890 939774544 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CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542537555 939840051 /nfs/dbraw/zinc/84/00/51/939840051.db2.gz ZIJWBKBDUKMRTB-VIFPVBQESA-N 0 0 424.226 4.197 20 5 HIBDRN COc1ccc(OC)c(CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C2CC2)c1 ZINC000542537292 939840077 /nfs/dbraw/zinc/84/00/77/939840077.db2.gz FISCUNRIQBKGSJ-CYBMUJFWSA-N 0 0 402.422 4.046 20 5 HIBDRN COc1cccc(C2(CNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CCCC2)c1 ZINC000542553590 939842746 /nfs/dbraw/zinc/84/27/46/939842746.db2.gz GIZCLFBNLWCKPN-OAHLLOKOSA-N 0 0 400.450 4.474 20 5 HIBDRN COC[C@@H](N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)c1ccco1 ZINC000542556322 939843080 /nfs/dbraw/zinc/84/30/80/939843080.db2.gz OBDCCOVOQJTXQA-WIYYLYMNSA-N 0 0 409.442 4.153 20 5 HIBDRN COC[C@H](N[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)c1ccco1 ZINC000542556321 939843098 /nfs/dbraw/zinc/84/30/98/939843098.db2.gz OBDCCOVOQJTXQA-RXVVDRJESA-N 0 0 409.442 4.153 20 5 HIBDRN COC1CCC(CCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000542560064 939843897 /nfs/dbraw/zinc/84/38/97/939843897.db2.gz UNLPXACFEWKCHN-UHFFFAOYSA-N 0 0 420.453 4.417 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542560609 939843998 /nfs/dbraw/zinc/84/39/98/939843998.db2.gz SDSQLLPLBNCRLV-QFBILLFUSA-N 0 0 422.840 4.193 20 5 HIBDRN Cc1csc([C@@H](C)N[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000542581532 939846097 /nfs/dbraw/zinc/84/60/97/939846097.db2.gz NUZPHQSOSLCJKS-VXGBXAGGSA-N 0 0 417.516 4.161 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000542589041 939846729 /nfs/dbraw/zinc/84/67/29/939846729.db2.gz UDADBSVKMUSXIT-VXGBXAGGSA-N 0 0 406.508 4.035 20 5 HIBDRN COc1ncccc1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542609348 939848083 /nfs/dbraw/zinc/84/80/83/939848083.db2.gz FFEIIRTVMYNBMT-UHFFFAOYSA-N 0 0 401.488 4.211 20 5 HIBDRN CN(C)c1ncccc1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542611576 939848277 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PFBBEXUSJRBMFW-UHFFFAOYSA-N 0 0 407.879 4.117 20 5 HIBDRN COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000543146969 939971439 /nfs/dbraw/zinc/97/14/39/939971439.db2.gz KEKGWTWEVAOJKS-AWEZNQCLSA-N 0 0 412.471 4.217 20 5 HIBDRN CCn1c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)nc2cc(F)ccc21 ZINC000543154985 939977289 /nfs/dbraw/zinc/97/72/89/939977289.db2.gz IDVVWZKKHCAZIQ-UHFFFAOYSA-N 0 0 411.418 4.479 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000543172567 939984868 /nfs/dbraw/zinc/98/48/68/939984868.db2.gz ILQNQAOYMZWLFJ-UHFFFAOYSA-N 0 0 408.458 4.174 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000543188662 939990137 /nfs/dbraw/zinc/99/01/37/939990137.db2.gz OWRARPIGNFNUIF-KRWDZBQOSA-N 0 0 417.334 4.403 20 5 HIBDRN COc1cc(C(=O)N(C)C[C@H]2CC=CCC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000543187063 939990382 /nfs/dbraw/zinc/99/03/82/939990382.db2.gz DFMGGVAOGDAISQ-AWEZNQCLSA-N 0 0 417.487 4.067 20 5 HIBDRN 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940770167 /nfs/dbraw/zinc/77/01/67/940770167.db2.gz KAGLGDZMLSMDMN-UHFFFAOYSA-N 0 0 411.130 4.056 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)c2nc(Cc3cc(Cl)c4c(c3)OCCO4)no2)cc1 ZINC000546299923 940771120 /nfs/dbraw/zinc/77/11/20/940771120.db2.gz QFRFEPFOZVYYRJ-UHFFFAOYSA-N 0 0 423.759 4.133 20 5 HIBDRN CN1CC[C@@H](c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)c2ccccc21 ZINC000546344988 940796321 /nfs/dbraw/zinc/79/63/21/940796321.db2.gz BNQUXRHWUBVQIO-CYBMUJFWSA-N 0 0 402.357 4.218 20 5 HIBDRN COc1cc(Cc2noc(-c3ccccc3[N+](=O)[O-])n2)ccc1OCC(F)(F)F ZINC000546353061 940799575 /nfs/dbraw/zinc/79/95/75/940799575.db2.gz YLPXRONTHCHSNH-UHFFFAOYSA-N 0 0 409.320 4.185 20 5 HIBDRN CCOc1cc(Cc2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)ccc1OC(F)F ZINC000546355139 940800134 /nfs/dbraw/zinc/80/01/34/940800134.db2.gz IVZUAEFUXIFSEO-UHFFFAOYSA-N 0 0 409.320 4.375 20 5 HIBDRN CSc1ccc(-c2nc(-c3cccc(-n4c(C)c[nH]c4=O)c3)no2)cc1[N+](=O)[O-] ZINC000546368443 940803522 /nfs/dbraw/zinc/80/35/22/940803522.db2.gz 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416.821 4.078 20 5 HIBDRN C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000547265845 941048009 /nfs/dbraw/zinc/04/80/09/941048009.db2.gz MDTCOSYHVBQBMJ-MRHLJLSQSA-N 0 0 404.426 4.440 20 5 HIBDRN CCc1cc(N2CCC([C@](C)(O)C(F)(F)F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000547342040 941057113 /nfs/dbraw/zinc/05/71/13/941057113.db2.gz BRDATHAKWHUWPD-IBGZPJMESA-N 0 0 424.423 4.144 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000547373184 941059145 /nfs/dbraw/zinc/05/91/45/941059145.db2.gz ABISKYZQCXRMST-UHFFFAOYSA-N 0 0 405.410 4.498 20 5 HIBDRN CCCc1c(NC(=O)NCCc2ccccc2[N+](=O)[O-])cnn1-c1cccc(F)c1 ZINC000547739622 941074181 /nfs/dbraw/zinc/07/41/81/941074181.db2.gz DQTJXZKTHAZZOQ-UHFFFAOYSA-N 0 0 411.437 4.236 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000547752370 941074636 /nfs/dbraw/zinc/07/46/36/941074636.db2.gz SUMTWODLPMDFKA-OAHLLOKOSA-N 0 0 422.441 4.460 20 5 HIBDRN 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CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC000549343243 941181358 /nfs/dbraw/zinc/18/13/58/941181358.db2.gz ZNLYHYRBMQNNKB-KRWDZBQOSA-N 0 0 401.511 4.152 20 5 HIBDRN CC(C)Cn1c(COCc2ccccc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000549440773 941189998 /nfs/dbraw/zinc/18/99/98/941189998.db2.gz NYRFOBCMYQBUKV-UHFFFAOYSA-N 0 0 409.490 4.196 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000549526701 941198072 /nfs/dbraw/zinc/19/80/72/941198072.db2.gz BRIFFJQGOUQOEK-OYRHEFFESA-N 0 0 413.477 4.398 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)nc1 ZINC000549527614 941198139 /nfs/dbraw/zinc/19/81/39/941198139.db2.gz ULOPJIJYKRABOX-CQSZACIVSA-N 0 0 422.407 4.168 20 5 HIBDRN CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)CCS1 ZINC000549535821 941198490 /nfs/dbraw/zinc/19/84/90/941198490.db2.gz FAZLQJXMROOFNF-LJQANCHMSA-N 0 0 409.515 4.233 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000549572617 941199973 /nfs/dbraw/zinc/19/99/73/941199973.db2.gz XQXWBOADJTXMHF-IBGZPJMESA-N 0 0 419.428 4.458 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@H](C)c2ccc(-n3cccn3)c(F)c2)c([N+](=O)[O-])c1 ZINC000549583435 941200378 /nfs/dbraw/zinc/20/03/78/941200378.db2.gz QJIOCJHSRJGEQN-CQSZACIVSA-N 0 0 411.437 4.231 20 5 HIBDRN Cc1cc(S(=O)(=O)Nc2cccc(Br)c2Cl)ccc1[N+](=O)[O-] ZINC000549593907 941200643 /nfs/dbraw/zinc/20/06/43/941200643.db2.gz POFCENPPZYSWMV-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000549606688 941201124 /nfs/dbraw/zinc/20/11/24/941201124.db2.gz JWYLDADWYMIDIB-UHFFFAOYSA-N 0 0 419.846 4.261 20 5 HIBDRN CCc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)cc1 ZINC000549661627 941203422 /nfs/dbraw/zinc/20/34/22/941203422.db2.gz SMLHYRZZFPERKP-LJQANCHMSA-N 0 0 421.501 4.089 20 5 HIBDRN CC1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)CC(C)(C)C1 ZINC000549695984 941204911 /nfs/dbraw/zinc/20/49/11/941204911.db2.gz DVKDPDYPJQKZAC-MRXNPFEDSA-N 0 0 413.522 4.152 20 5 HIBDRN O=C(Nc1nc(-c2ccc(Br)cn2)cs1)c1csc([N+](=O)[O-])c1 ZINC000549714022 941205516 /nfs/dbraw/zinc/20/55/16/941205516.db2.gz FJMLDOCILJNELE-UHFFFAOYSA-N 0 0 411.262 4.190 20 5 HIBDRN O=C(NCc1cccc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549767736 941206925 /nfs/dbraw/zinc/20/69/25/941206925.db2.gz GPQMJTDDYKHYPA-UHFFFAOYSA-N 0 0 422.281 4.485 20 5 HIBDRN COc1ccc(COC[C@@H](O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000549784451 941207415 /nfs/dbraw/zinc/20/74/15/941207415.db2.gz AHVMQQDDFOEQKP-HXUWFJFHSA-N 0 0 409.438 4.227 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(-c3ccccc3Cl)on2)c(C)c([N+](=O)[O-])c1 ZINC000550107149 941285569 /nfs/dbraw/zinc/28/55/69/941285569.db2.gz VDODOYBUURPQAW-UHFFFAOYSA-N 0 0 415.789 4.251 20 5 HIBDRN Cc1nc(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000550385937 941320518 /nfs/dbraw/zinc/32/05/18/941320518.db2.gz DQERKFROLQHEMJ-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3ccncc3)c(C)c2)cc1[N+](=O)[O-] ZINC000550507656 941333251 /nfs/dbraw/zinc/33/32/51/941333251.db2.gz OAEOVTSVEKFAND-INIZCTEOSA-N 0 0 418.453 4.090 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3ccncc3)c(C)c2)cc1[N+](=O)[O-] ZINC000550507667 941333315 /nfs/dbraw/zinc/33/33/15/941333315.db2.gz OAEOVTSVEKFAND-MRXNPFEDSA-N 0 0 418.453 4.090 20 5 HIBDRN COc1cccc2c1N(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)CCC2 ZINC000550690767 941354679 /nfs/dbraw/zinc/35/46/79/941354679.db2.gz SECWBARKODUUJN-UHFFFAOYSA-N 0 0 405.248 4.267 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1nc(-c2cccc(OCc3ccccc3)n2)no1 ZINC000551111373 941412204 /nfs/dbraw/zinc/41/22/04/941412204.db2.gz KZUMVDIJOHYFLC-UHFFFAOYSA-N 0 0 417.425 4.273 20 5 HIBDRN COc1ccccc1C1(c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)CC1 ZINC000551143940 941417658 /nfs/dbraw/zinc/41/76/58/941417658.db2.gz RHIRGYYUVVTETH-UHFFFAOYSA-N 0 0 403.341 4.335 20 5 HIBDRN Cn1ccnc1[C@H](NCc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000551242578 941434137 /nfs/dbraw/zinc/43/41/37/941434137.db2.gz YOFRFPAHKPTLBB-QGZVFWFLSA-N 0 0 419.254 4.109 20 5 HIBDRN Cc1c(NC(=O)CCc2cccc(N(C)C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000551283646 941443442 /nfs/dbraw/zinc/44/34/42/941443442.db2.gz QYYVPVLMVLVHDM-UHFFFAOYSA-N 0 0 406.280 4.303 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1[N+](=O)[O-] ZINC000551359792 941461249 /nfs/dbraw/zinc/46/12/49/941461249.db2.gz YELONXFHMCHTMM-UHFFFAOYSA-N 0 0 405.454 4.355 20 5 HIBDRN COCc1nc(NC(=O)c2cc3ccccc3c3cccnc23)sc1C(=O)OC ZINC000551381630 941465911 /nfs/dbraw/zinc/46/59/11/941465911.db2.gz ZEZGEGKLYBMMBZ-UHFFFAOYSA-N 0 0 407.451 4.030 20 5 HIBDRN COCCOc1ccc(Cc2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)cc1 ZINC000551397235 941469590 /nfs/dbraw/zinc/46/95/90/941469590.db2.gz HQYMKFLUSKIBIZ-UHFFFAOYSA-N 0 0 423.347 4.280 20 5 HIBDRN O=C(Nc1cccc(Oc2cccnn2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000551478460 941487655 /nfs/dbraw/zinc/48/76/55/941487655.db2.gz CBGOCSAOJPKLCZ-UHFFFAOYSA-N 0 0 404.304 4.448 20 5 HIBDRN COC(=O)c1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000551556849 941501072 /nfs/dbraw/zinc/50/10/72/941501072.db2.gz YTINZMYWXRQCRN-LBPRGKRZSA-N 0 0 407.264 4.303 20 5 HIBDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000551707751 941530098 /nfs/dbraw/zinc/53/00/98/941530098.db2.gz QWMMBQBOJIFOGV-GOSISDBHSA-N 0 0 413.474 4.107 20 5 HIBDRN CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000551712126 941530874 /nfs/dbraw/zinc/53/08/74/941530874.db2.gz DIVZLDTZAGVJBB-LJQANCHMSA-N 0 0 415.465 4.483 20 5 HIBDRN CCOc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1F ZINC000551766474 941541300 /nfs/dbraw/zinc/54/13/00/941541300.db2.gz CTMUWSNDIKFHPW-UHFFFAOYSA-N 0 0 403.410 4.007 20 5 HIBDRN CC(C)OCc1cccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000551766531 941541315 /nfs/dbraw/zinc/54/13/15/941541315.db2.gz GHFRPUNHRVDJLP-UHFFFAOYSA-N 0 0 413.474 4.395 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000551847879 941557746 /nfs/dbraw/zinc/55/77/46/941557746.db2.gz OBQFWHWCAZTZAK-CQSZACIVSA-N 0 0 408.458 4.362 20 5 HIBDRN Cn1ccnc1[C@H](NCCc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000552045020 941573470 /nfs/dbraw/zinc/57/34/70/941573470.db2.gz WEFWEBCRNHLGOX-GOSISDBHSA-N 0 0 415.291 4.013 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN[C@H]3CCC[C@H]3Oc3cc(F)cc(F)c3)n2)c1 ZINC000552058188 941575953 /nfs/dbraw/zinc/57/59/53/941575953.db2.gz YZCACECPAFOMRU-ZWKOTPCHSA-N 0 0 416.384 4.013 20 5 HIBDRN Cn1ccnc1[C@H](N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000552066557 941578513 /nfs/dbraw/zinc/57/85/13/941578513.db2.gz NTHQXBZOAGUXSL-YPAWHYETSA-N 0 0 420.513 4.391 20 5 HIBDRN Cc1ccc(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c(OCC2CC2)c1 ZINC000552252844 941614651 /nfs/dbraw/zinc/61/46/51/941614651.db2.gz ZRERVKOKXDFEDX-QFIPXVFZSA-N 0 0 406.486 4.305 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1nc2cc(Cl)ccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000552252670 941614667 /nfs/dbraw/zinc/61/46/67/941614667.db2.gz SUSYGNNGJHHBMN-SFHVURJKSA-N 0 0 413.890 4.471 20 5 HIBDRN Cn1ccnc1[C@@H](NCCc1ccccc1OC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552275829 941620359 /nfs/dbraw/zinc/62/03/59/941620359.db2.gz BLPKHYJTOGTSAK-SFHVURJKSA-N 0 0 420.391 4.149 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCOC[C@@H]2C2CC2)cc1 ZINC000552290303 941623600 /nfs/dbraw/zinc/62/36/00/941623600.db2.gz HFJXZUMLAVGERL-JOCHJYFZSA-N 0 0 404.470 4.058 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000552475219 941681595 /nfs/dbraw/zinc/68/15/95/941681595.db2.gz JWYVMCSSHFRYOD-CYBMUJFWSA-N 0 0 421.906 4.194 20 5 HIBDRN COc1ccc(-c2nc(C)c(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])s2)cc1 ZINC000552612108 941723338 /nfs/dbraw/zinc/72/33/38/941723338.db2.gz KMWASNLFJREGQU-UHFFFAOYSA-N 0 0 411.483 4.350 20 5 HIBDRN Cc1nn(CCC(=O)Nc2cccc(COc3ccc(F)cc3)c2)c(C)c1[N+](=O)[O-] ZINC000552715471 941743798 /nfs/dbraw/zinc/74/37/98/941743798.db2.gz QQFKISJUGPUREF-UHFFFAOYSA-N 0 0 412.421 4.155 20 5 HIBDRN Cc1cccc(CCCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000552717379 941744147 /nfs/dbraw/zinc/74/41/47/941744147.db2.gz GMZSPTZEZMWBMN-UHFFFAOYSA-N 0 0 404.470 4.273 20 5 HIBDRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000552729463 941746932 /nfs/dbraw/zinc/74/69/32/941746932.db2.gz RZRSKZPQPQBDPS-UHFFFAOYSA-N 0 0 416.783 4.390 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000552776234 941758870 /nfs/dbraw/zinc/75/88/70/941758870.db2.gz ZTQZCEFBVVVQHZ-FOIQADDNSA-N 0 0 403.454 4.430 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc2cc(Br)cnc21 ZINC000552806288 941770012 /nfs/dbraw/zinc/77/00/12/941770012.db2.gz VUYBKIPHVPBMFO-UHFFFAOYSA-N 0 0 416.231 4.313 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000552830881 941780689 /nfs/dbraw/zinc/78/06/89/941780689.db2.gz KHAARKDZFIRYIO-SIBVEZHUSA-N 0 0 412.489 4.049 20 5 HIBDRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000552839214 941783710 /nfs/dbraw/zinc/78/37/10/941783710.db2.gz POIYHXPLKJPHLC-SCLBCKFNSA-N 0 0 408.376 4.145 20 5 HIBDRN C[C@]1(c2ccccc2)CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000552849536 941786890 /nfs/dbraw/zinc/78/68/90/941786890.db2.gz UIMGEOPKNXGEEE-QHCPKHFHSA-N 0 0 404.470 4.365 20 5 HIBDRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc2cccnc21 ZINC000552885451 941797791 /nfs/dbraw/zinc/79/77/91/941797791.db2.gz WBNZSUGZHAEVIZ-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000552922510 941803501 /nfs/dbraw/zinc/80/35/01/941803501.db2.gz GXHPAYXXECGPHK-UHFFFAOYSA-N 0 0 408.845 4.458 20 5 HIBDRN C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1cc2c(cc1Br)OCCO2 ZINC000552946759 941806457 /nfs/dbraw/zinc/80/64/57/941806457.db2.gz ZLSPZQJQQFHDBR-SNVBAGLBSA-N 0 0 411.227 4.118 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000552971468 941810599 /nfs/dbraw/zinc/81/05/99/941810599.db2.gz YHSYTHSGPAYBFP-GFCCVEGCSA-N 0 0 407.455 4.849 20 5 HIBDRN CN(C(=O)c1ccn(-c2ccc(F)cc2)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000553050411 941824437 /nfs/dbraw/zinc/82/44/37/941824437.db2.gz MXXCQVPHQJXYEU-UHFFFAOYSA-N 0 0 423.429 4.320 20 5 HIBDRN NC(=O)C1CCN(c2cccc(Nc3c(Cl)cc(Cl)cc3[N+](=O)[O-])c2)CC1 ZINC000553079564 941829869 /nfs/dbraw/zinc/82/98/69/941829869.db2.gz WFCCTBFXGYMFPJ-UHFFFAOYSA-N 0 0 409.273 4.347 20 5 HIBDRN O=C(Nc1ncc(-c2cccnc2)s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553103876 941833580 /nfs/dbraw/zinc/83/35/80/941833580.db2.gz AZUKXDSGNZOIPL-UHFFFAOYSA-N 0 0 409.452 4.489 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ncc(-c2ccccn2)s1 ZINC000553110972 941834700 /nfs/dbraw/zinc/83/47/00/941834700.db2.gz SQGLNKUTYWGFEY-UHFFFAOYSA-N 0 0 412.474 4.312 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2Nc2cnn(-c3ncc(Cl)cc3Cl)c2)s1 ZINC000553147721 941840664 /nfs/dbraw/zinc/84/06/64/941840664.db2.gz OOQQTHIZQCSVCF-UHFFFAOYSA-N 0 0 408.230 4.231 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000553162495 941842535 /nfs/dbraw/zinc/84/25/35/941842535.db2.gz YLYRYRLQCXUGEI-ZDUSSCGKSA-N 0 0 413.405 4.354 20 5 HIBDRN CC(=O)c1cc(N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000553168157 941843558 /nfs/dbraw/zinc/84/35/58/941843558.db2.gz AFTVBPKXFRHPDD-HNNXBMFYSA-N 0 0 410.474 4.227 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000553260096 941857761 /nfs/dbraw/zinc/85/77/61/941857761.db2.gz XJOFKUXWYQOITE-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN Cn1ccnc1[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000553262607 941858163 /nfs/dbraw/zinc/85/81/63/941858163.db2.gz DGSMPKYFLSWICL-CQSZACIVSA-N 0 0 400.851 4.188 20 5 HIBDRN COC(=O)c1cc(C)nc(N2CCC[C@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000553275716 941859386 /nfs/dbraw/zinc/85/93/86/941859386.db2.gz QDXIEOKIQMRADU-HNNXBMFYSA-N 0 0 420.263 4.189 20 5 HIBDRN CC(=O)c1cc(NCc2ccc(N3CCc4ccccc4C3)nc2)ccc1[N+](=O)[O-] ZINC000553299763 941863414 /nfs/dbraw/zinc/86/34/14/941863414.db2.gz VCHGZVYJABPHNC-UHFFFAOYSA-N 0 0 402.454 4.367 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000553308200 941864767 /nfs/dbraw/zinc/86/47/67/941864767.db2.gz KJIHUXGJLPKKPE-UHFFFAOYSA-N 0 0 424.360 4.193 20 5 HIBDRN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553381587 941876846 /nfs/dbraw/zinc/87/68/46/941876846.db2.gz YRVUZQUMCFUYQJ-SCLBCKFNSA-N 0 0 408.376 4.145 20 5 HIBDRN COc1ccc(C(=O)Nc2nc3c(cccc3Br)s2)cc1[N+](=O)[O-] ZINC000553408695 941880534 /nfs/dbraw/zinc/88/05/34/941880534.db2.gz RHFAGPFUIOAYJL-UHFFFAOYSA-N 0 0 408.233 4.228 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000553515202 941900472 /nfs/dbraw/zinc/90/04/72/941900472.db2.gz ZNNCCMSCIIWYAH-SJORKVTESA-N 0 0 418.291 4.097 20 5 HIBDRN Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000553544747 941905621 /nfs/dbraw/zinc/90/56/21/941905621.db2.gz OUZAGNHNTZPSQD-GFCCVEGCSA-N 0 0 413.293 4.047 20 5 HIBDRN O=c1[nH]c(N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000553559464 941909066 /nfs/dbraw/zinc/90/90/66/941909066.db2.gz LLOGSPRZVQWAMA-BJHJDKERSA-N 0 0 404.348 4.621 20 5 HIBDRN CCOc1cccc(NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000553590240 941915511 /nfs/dbraw/zinc/91/55/11/941915511.db2.gz WNXYPIZKIMHYLR-UHFFFAOYSA-N 0 0 418.393 4.028 20 5 HIBDRN O=C(Cc1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1)Nc1ccc(Cl)cc1 ZINC000553707036 941947839 /nfs/dbraw/zinc/94/78/39/941947839.db2.gz AUNNZASLSJBLHN-KRXBUXKQSA-N 0 0 402.769 4.122 20 5 HIBDRN CNc1ccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000553721869 941952013 /nfs/dbraw/zinc/95/20/13/941952013.db2.gz LBYBKMNHKWKBCS-SGTLLEGYSA-N 0 0 423.391 4.258 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000553806267 941973286 /nfs/dbraw/zinc/97/32/86/941973286.db2.gz FLISWPZYXJBOKT-UHFFFAOYSA-N 0 0 404.879 4.242 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCCn2c(cc3ccccc32)C1 ZINC000554119259 942041288 /nfs/dbraw/zinc/04/12/88/942041288.db2.gz BCSYVYLDSWNRHU-UHFFFAOYSA-N 0 0 420.288 4.420 20 5 HIBDRN CC[C@H]1NC(=O)N(Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1=O ZINC000554123254 942042584 /nfs/dbraw/zinc/04/25/84/942042584.db2.gz AKTPRCPYECAOOZ-CQSZACIVSA-N 0 0 407.785 4.010 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccnc(Oc2ccccc2F)c1 ZINC000554143861 942048693 /nfs/dbraw/zinc/04/86/93/942048693.db2.gz CWTBLGUYPWGLMS-UHFFFAOYSA-N 0 0 424.432 4.305 20 5 HIBDRN Cn1cnc(NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000554226116 942073078 /nfs/dbraw/zinc/07/30/78/942073078.db2.gz JMEUQVWRTFLLGL-UHFFFAOYSA-N 0 0 423.376 4.146 20 5 HIBDRN O=C(CN1CCCC[C@H]1c1nnc(C2CCC2)o1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554276946 942087998 /nfs/dbraw/zinc/08/79/98/942087998.db2.gz LZKACQILPKPZAC-INIZCTEOSA-N 0 0 419.869 4.064 20 5 HIBDRN CC(C)n1cnnc1CN(C)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000554299033 942094846 /nfs/dbraw/zinc/09/48/46/942094846.db2.gz ZKLOYTVBUSJWOJ-UHFFFAOYSA-N 0 0 411.487 4.191 20 5 HIBDRN COc1ccncc1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000554367983 942115962 /nfs/dbraw/zinc/11/59/62/942115962.db2.gz VPXAHWURJXZYLW-UHFFFAOYSA-N 0 0 413.817 4.374 20 5 HIBDRN COc1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1Br ZINC000554445742 942146708 /nfs/dbraw/zinc/14/67/08/942146708.db2.gz XJLWYNFSUQCASY-UHFFFAOYSA-N 0 0 408.252 4.072 20 5 HIBDRN CSc1ccc(C(=O)Nc2c(C)cccc2-c2nnnn2[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000554748705 942219383 /nfs/dbraw/zinc/21/93/83/942219383.db2.gz BYMFZMIATHRXIU-IUODEOHRSA-N 0 0 424.486 4.112 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc2nccnc2c1Br)c1ccc([N+](=O)[O-])cc1F ZINC000554767010 942229519 /nfs/dbraw/zinc/22/95/19/942229519.db2.gz MYQOHARQXDEJFT-SECBINFHSA-N 0 0 419.210 4.182 20 5 HIBDRN CN(C(=O)COc1cccc2cccnc21)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000554844655 942282025 /nfs/dbraw/zinc/28/20/25/942282025.db2.gz NJOAPXZNOCCTRU-UHFFFAOYSA-N 0 0 420.450 4.308 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@](F)(c4cccc(Cl)c4)C3)o2)cc1 ZINC000554855739 942290924 /nfs/dbraw/zinc/29/09/24/942290924.db2.gz IJPLINSHKBETFH-IBGZPJMESA-N 0 0 402.813 4.369 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccncc2)cc1 ZINC000554857405 942292621 /nfs/dbraw/zinc/29/26/21/942292621.db2.gz CAMWTSKZKWQQQS-UHFFFAOYSA-N 0 0 406.442 4.275 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1OC ZINC000554867953 942300155 /nfs/dbraw/zinc/30/01/55/942300155.db2.gz WYJQJVRHEYRFMZ-LLVKDONJSA-N 0 0 412.364 4.430 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)c1 ZINC000554872548 942302624 /nfs/dbraw/zinc/30/26/24/942302624.db2.gz WMRFAPIXIJLSOM-GFCCVEGCSA-N 0 0 412.364 4.210 20 5 HIBDRN COc1ccc(-c2nsc(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000554920524 942320209 /nfs/dbraw/zinc/32/02/09/942320209.db2.gz WCCOZTQAQOUJBH-GFCCVEGCSA-N 0 0 413.459 4.313 20 5 HIBDRN CCOc1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1Br ZINC000554957310 942333442 /nfs/dbraw/zinc/33/34/42/942333442.db2.gz FXKVWCCVKNSTMC-UHFFFAOYSA-N 0 0 422.279 4.462 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000554960965 942335199 /nfs/dbraw/zinc/33/51/99/942335199.db2.gz DEIHIDCKWAOWHN-OXQOHEQNSA-N 0 0 402.422 4.125 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000554970000 942337649 /nfs/dbraw/zinc/33/76/49/942337649.db2.gz INYWIHOKKSVXAG-QPJJXVBHSA-N 0 0 419.403 4.085 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(CCc2ccccc2)Cc2ccncc2)c1 ZINC000554968808 942337722 /nfs/dbraw/zinc/33/77/22/942337722.db2.gz UCGLJXOTCOPBNV-UHFFFAOYSA-N 0 0 405.454 4.274 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(OC)c(OC)cc2SC)c1 ZINC000554968571 942337855 /nfs/dbraw/zinc/33/78/55/942337855.db2.gz JPZLBQUTFGNEST-UHFFFAOYSA-N 0 0 420.487 4.005 20 5 HIBDRN CCOCCCn1c2ccccc2nc1NC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000554968639 942337882 /nfs/dbraw/zinc/33/78/82/942337882.db2.gz MHMXLCWUGJJJKJ-UHFFFAOYSA-N 0 0 412.446 4.022 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@](F)(c2ccccc2F)C1 ZINC000554995835 942347636 /nfs/dbraw/zinc/34/76/36/942347636.db2.gz OOOWZWYHULZFEM-QGZVFWFLSA-N 0 0 411.202 4.207 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000555037324 942365878 /nfs/dbraw/zinc/36/58/78/942365878.db2.gz PGOKUIDJBFTABJ-GFCCVEGCSA-N 0 0 422.844 4.107 20 5 HIBDRN COCCOc1ccc(-c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)cc1F ZINC000555121273 942390575 /nfs/dbraw/zinc/39/05/75/942390575.db2.gz VXIAMUKTQUJKNW-DAXSKMNVSA-N 0 0 403.341 4.119 20 5 HIBDRN Cc1cc(N2CCC([C@](C)(O)C(F)(F)F)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555193844 942425955 /nfs/dbraw/zinc/42/59/55/942425955.db2.gz 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O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4cc(OC(F)F)ccc4F)no3)c2c1 ZINC000556272643 942830306 /nfs/dbraw/zinc/83/03/06/942830306.db2.gz JZJCOLCCSLGQEX-UHFFFAOYSA-N 0 0 404.304 4.457 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1csc(-c2ccncc2)n1 ZINC000556453744 942872581 /nfs/dbraw/zinc/87/25/81/942872581.db2.gz QLPRMGTZISFNMC-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN Cc1nn(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1-c1ccccc1 ZINC000556467452 942876161 /nfs/dbraw/zinc/87/61/61/942876161.db2.gz JBFHIQXZNSEUIH-UHFFFAOYSA-N 0 0 415.247 4.168 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCc2csc3ccccc23)cc1[N+](=O)[O-] ZINC000556521012 942891464 /nfs/dbraw/zinc/89/14/64/942891464.db2.gz QYPLPSOIXZAQPE-UHFFFAOYSA-N 0 0 411.483 4.362 20 5 HIBDRN CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556527862 942892321 /nfs/dbraw/zinc/89/23/21/942892321.db2.gz YNELRZUAFVVQLJ-RDJZCZTQSA-N 0 0 407.536 4.011 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(c2ccccc2)CCCCC1=O ZINC000556534786 942893645 /nfs/dbraw/zinc/89/36/45/942893645.db2.gz VMBGNNHMDDSGGE-OAQYLSRUSA-N 0 0 415.877 4.157 20 5 HIBDRN Cc1c2ccccc2oc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556562080 942899529 /nfs/dbraw/zinc/89/95/29/942899529.db2.gz ZRQMQQLDTZXBKW-UHFFFAOYSA-N 0 0 409.442 4.202 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCCCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000556565142 942899925 /nfs/dbraw/zinc/89/99/25/942899925.db2.gz XGOMHWKDGWNEFF-UHFFFAOYSA-N 0 0 422.485 4.061 20 5 HIBDRN Cc1ccc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c(OCC(F)(F)F)c1 ZINC000556581863 942906451 /nfs/dbraw/zinc/90/64/51/942906451.db2.gz CYBSFTRSDHFJLT-UHFFFAOYSA-N 0 0 410.392 4.438 20 5 HIBDRN Cn1ccnc1[C@H](N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556891097 942953478 /nfs/dbraw/zinc/95/34/78/942953478.db2.gz AKDIWXFUVADWLQ-CEWLAPEOSA-N 0 0 410.449 4.067 20 5 HIBDRN Cn1ccnc1[C@H](NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000556891244 942954200 /nfs/dbraw/zinc/95/42/00/942954200.db2.gz 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CCNc1ccc(C(=O)N2CCC(n3c(CC)nc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000557224918 943055470 /nfs/dbraw/zinc/05/54/70/943055470.db2.gz MBZMRNPKJASJGX-UHFFFAOYSA-N 0 0 421.501 4.416 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC(Nc3ccc([N+](=O)[O-])c4ncccc34)CC2)cc1 ZINC000557316263 943070064 /nfs/dbraw/zinc/07/00/64/943070064.db2.gz DEPJUDKLIYWXKW-UHFFFAOYSA-N 0 0 420.469 4.258 20 5 HIBDRN Cn1c(=O)c2c(-c3cccs3)csc2nc1Sc1ccc([N+](=O)[O-])nc1 ZINC000557359526 943085962 /nfs/dbraw/zinc/08/59/62/943085962.db2.gz CXTLPIKXWQZCEN-UHFFFAOYSA-N 0 0 402.482 4.178 20 5 HIBDRN COc1ccc(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000557438895 943127236 /nfs/dbraw/zinc/12/72/36/943127236.db2.gz VZGBVNBCXPFLRK-KZULUSFZSA-N 0 0 424.375 4.224 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(NC(=O)NC)c1 ZINC000557558005 943207054 /nfs/dbraw/zinc/20/70/54/943207054.db2.gz GSBWAGQWIWSHKH-UHFFFAOYSA-N 0 0 406.439 4.240 20 5 HIBDRN CCc1noc(COc2ccc(Oc3cc(C)c([N+](=O)[O-])cc3C(=O)OC)cc2)n1 ZINC000557588706 943221535 /nfs/dbraw/zinc/22/15/35/943221535.db2.gz QYEAQPNEAFTBPY-UHFFFAOYSA-N 0 0 413.386 4.007 20 5 HIBDRN O=C(CCCc1ccccc1)N[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000557681294 943257575 /nfs/dbraw/zinc/25/75/75/943257575.db2.gz DULUGHGOJRLPBG-FQEVSTJZSA-N 0 0 418.497 4.251 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CCC[C@](O)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000557715004 943266972 /nfs/dbraw/zinc/26/69/72/943266972.db2.gz NZQQKERXAWDVEB-LJQANCHMSA-N 0 0 408.376 4.110 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cc1 ZINC000557743242 943276888 /nfs/dbraw/zinc/27/68/88/943276888.db2.gz RVLNZIFUZSNEDX-HNNXBMFYSA-N 0 0 411.483 4.624 20 5 HIBDRN Cc1cc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)ccc2n(C)c1=O ZINC000557858352 943314440 /nfs/dbraw/zinc/31/44/40/943314440.db2.gz UJIPUKQOKZIORE-UHFFFAOYSA-N 0 0 405.332 4.026 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCCN(c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000557885023 943321082 /nfs/dbraw/zinc/32/10/82/943321082.db2.gz RMHUIVLIWAVWLC-MRXNPFEDSA-N 0 0 400.454 4.025 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@H]2CCCCN2c2ccccc21 ZINC000557941762 943335382 /nfs/dbraw/zinc/33/53/82/943335382.db2.gz XTEQVLZMDHBERV-CQSZACIVSA-N 0 0 416.275 4.377 20 5 HIBDRN COc1ccc(SCCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000557976501 943344889 /nfs/dbraw/zinc/34/48/89/943344889.db2.gz HDCCZSDYEGPSJG-UHFFFAOYSA-N 0 0 404.488 4.146 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1cccc2ccccc21 ZINC000557979203 943345278 /nfs/dbraw/zinc/34/52/78/943345278.db2.gz DYEPVLOAXBRYQO-HXUWFJFHSA-N 0 0 406.438 4.020 20 5 HIBDRN CCN(Cc1ccccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000558350540 943521628 /nfs/dbraw/zinc/52/16/28/943521628.db2.gz MHNXBCHSYYPLJS-UHFFFAOYSA-N 0 0 408.252 4.420 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2c2nc([C@@H]3CCCCS3)no2)ccc1[N+](=O)[O-] ZINC000558360405 943524168 /nfs/dbraw/zinc/52/41/68/943524168.db2.gz IYDSOAAGEMGNPV-CVEARBPZSA-N 0 0 402.476 4.222 20 5 HIBDRN O=C(Nc1ccc(-c2ccccn2)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000558514437 943582919 /nfs/dbraw/zinc/58/29/19/943582919.db2.gz JOUGFDSJUYKNDR-UHFFFAOYSA-N 0 0 403.442 4.011 20 5 HIBDRN COc1cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc([N+](=O)[O-])c1OC ZINC000558568950 943601778 /nfs/dbraw/zinc/60/17/78/943601778.db2.gz GEMZEKZHXLNGMC-UHFFFAOYSA-N 0 0 410.348 4.050 20 5 HIBDRN C[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000558596776 943613155 /nfs/dbraw/zinc/61/31/55/943613155.db2.gz KZXNZKVWFNZSSY-SJCJKPOMSA-N 0 0 417.425 4.311 20 5 HIBDRN C[C@H](C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000558689071 943629016 /nfs/dbraw/zinc/62/90/16/943629016.db2.gz ZCKVKKKLZYSTKA-SCLBCKFNSA-N 0 0 419.275 4.061 20 5 HIBDRN COc1cc(OC)cc(C2(F)CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000558813370 943674364 /nfs/dbraw/zinc/67/43/64/943674364.db2.gz GDRZNAYLZOXOFX-UHFFFAOYSA-N 0 0 402.422 4.021 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(OCC2CC2)c(Cl)c1 ZINC000558849735 943698590 /nfs/dbraw/zinc/69/85/90/943698590.db2.gz YRHQPOCXEJLLOG-UHFFFAOYSA-N 0 0 406.822 4.063 20 5 HIBDRN Cc1c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nnn1Cc1ccccc1F ZINC000558905754 943739297 /nfs/dbraw/zinc/73/92/97/943739297.db2.gz OPHPANAGHYFIEK-UHFFFAOYSA-N 0 0 411.437 4.232 20 5 HIBDRN Cc1cc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000558906303 943739464 /nfs/dbraw/zinc/73/94/64/943739464.db2.gz OXNFXNQMNDSUTG-CYBMUJFWSA-N 0 0 401.429 4.301 20 5 HIBDRN CCc1noc(C)c1CNc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] ZINC000558951822 943769602 /nfs/dbraw/zinc/76/96/02/943769602.db2.gz ZPMMZMCJRFGCOD-UHFFFAOYSA-N 0 0 423.425 4.083 20 5 HIBDRN O=C(CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Nc1cc(Cl)cc(Cl)c1 ZINC000558981274 943784237 /nfs/dbraw/zinc/78/42/37/943784237.db2.gz YSBCQWRKFVQNJB-UHFFFAOYSA-N 0 0 423.256 4.227 20 5 HIBDRN Cc1nn(C)c(C)c1[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(F)(F)F ZINC000559145406 943853528 /nfs/dbraw/zinc/85/35/28/943853528.db2.gz HYTWEGLRVJNUSR-AWEZNQCLSA-N 0 0 410.318 4.357 20 5 HIBDRN CCN(CC)C(=O)CCC1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000559150664 943854509 /nfs/dbraw/zinc/85/45/09/943854509.db2.gz YXULRCXTOBVHLL-UHFFFAOYSA-N 0 0 415.456 4.474 20 5 HIBDRN C[C@H](OC[C@H](O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Cl)cc1 ZINC000559266701 943887855 /nfs/dbraw/zinc/88/78/55/943887855.db2.gz AQGUQQMIKPKIEJ-BBRMVZONSA-N 0 0 402.834 4.314 20 5 HIBDRN CC(=O)c1cccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 ZINC000559283692 943890105 /nfs/dbraw/zinc/89/01/05/943890105.db2.gz UPBUAXHJWHFYKO-QGZVFWFLSA-N 0 0 413.451 4.345 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000559293618 943890989 /nfs/dbraw/zinc/89/09/89/943890989.db2.gz JQFCELSKAMIPHE-UHFFFAOYSA-N 0 0 403.345 4.246 20 5 HIBDRN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000559350075 943905284 /nfs/dbraw/zinc/90/52/84/943905284.db2.gz BRLQLMDWLKSGIN-KRWDZBQOSA-N 0 0 412.877 4.140 20 5 HIBDRN CN(Cc1cc(Br)ccc1F)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000559372556 943919446 /nfs/dbraw/zinc/91/94/46/943919446.db2.gz VKQUWSHIYLUHRR-UHFFFAOYSA-N 0 0 409.255 4.433 20 5 HIBDRN COCCCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000559490613 943980415 /nfs/dbraw/zinc/98/04/15/943980415.db2.gz OBQQKUVGGHNHBO-UHFFFAOYSA-N 0 0 423.263 4.333 20 5 HIBDRN O=C(CNc1cc(Br)cc([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F ZINC000559944685 944094719 /nfs/dbraw/zinc/09/47/19/944094719.db2.gz OVJQVUOVTBUMKA-UHFFFAOYSA-N 0 0 418.169 4.427 20 5 HIBDRN COc1ccc(-c2nc(CNc3cc(Br)cc([N+](=O)[O-])c3)no2)cc1 ZINC000559946433 944095435 /nfs/dbraw/zinc/09/54/35/944095435.db2.gz LOTVAUVZSVVSCD-UHFFFAOYSA-N 0 0 405.208 4.028 20 5 HIBDRN CCn1c(SCc2ccc(S(C)(=O)=O)cc2)nc2cc3ccccc3cc2c1=O ZINC000559982335 944109974 /nfs/dbraw/zinc/10/99/74/944109974.db2.gz XOESQABIAAOOKL-UHFFFAOYSA-N 0 0 424.547 4.265 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc(CCC2CCOCC2)no1 ZINC000560071056 944148456 /nfs/dbraw/zinc/14/84/56/944148456.db2.gz LREPCPIZNOFMPR-UHFFFAOYSA-N 0 0 414.384 4.010 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000560141880 944176405 /nfs/dbraw/zinc/17/64/05/944176405.db2.gz OWDZCLAWIWGQHO-UHFFFAOYSA-N 0 0 409.486 4.383 20 5 HIBDRN C[C@H](Sc1ccccc1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(N)=O ZINC000560142697 944177185 /nfs/dbraw/zinc/17/71/85/944177185.db2.gz JWINWAMYECWXQB-LBPRGKRZSA-N 0 0 401.488 4.111 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(c3c[nH]nc3C)CC2)cc1OC ZINC000560180068 944189773 /nfs/dbraw/zinc/18/97/73/944189773.db2.gz YOPYQKKDYJKODH-OAHLLOKOSA-N 0 0 416.522 4.439 20 5 HIBDRN CC(C)CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccc1Cl ZINC000560195429 944194150 /nfs/dbraw/zinc/19/41/50/944194150.db2.gz CTCBKFDHIHQSQZ-CQSZACIVSA-N 0 0 403.866 4.433 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NCc2noc3ccccc23)cc1[N+](=O)[O-])c1ccccn1 ZINC000560427024 944230954 /nfs/dbraw/zinc/23/09/54/944230954.db2.gz DVHJLRVZXKDNOX-CQSZACIVSA-N 0 0 417.425 4.234 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCCN(c2ccccc2Cl)CC1 ZINC000560513715 944239363 /nfs/dbraw/zinc/23/93/63/944239363.db2.gz ALXNNFFKJWXEHE-UHFFFAOYSA-N 0 0 410.861 4.149 20 5 HIBDRN Cn1ccnc1[C@@H](NCCc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000560527255 944242610 /nfs/dbraw/zinc/24/26/10/944242610.db2.gz CEGPKOFOCYYNLM-INIZCTEOSA-N 0 0 421.320 4.074 20 5 HIBDRN Cn1ccnc1[C@H](N[C@H](c1nccs1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000560528581 944244031 /nfs/dbraw/zinc/24/40/31/944244031.db2.gz IWQOPUJPLBRDPN-MOPGFXCFSA-N 0 0 405.483 4.253 20 5 HIBDRN CC1(C)CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1c1ccncc1 ZINC000560546249 944248870 /nfs/dbraw/zinc/24/88/70/944248870.db2.gz WXBOZPOBTLHBMR-INIZCTEOSA-N 0 0 423.254 4.178 20 5 HIBDRN COc1cc(CN2CCO[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000560559687 944255185 /nfs/dbraw/zinc/25/51/85/944255185.db2.gz SMKRXZXRGUHYPP-LJQANCHMSA-N 0 0 408.401 4.087 20 5 HIBDRN Cc1onc(-c2cccnc2)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000560707716 944302577 /nfs/dbraw/zinc/30/25/77/944302577.db2.gz UKMMZPQGMYSHFS-UHFFFAOYSA-N 0 0 417.219 4.276 20 5 HIBDRN Cn1nccc1C1=CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000560720431 944309382 /nfs/dbraw/zinc/30/93/82/944309382.db2.gz AXOPVGQBQYTNET-UHFFFAOYSA-N 0 0 420.494 4.409 20 5 HIBDRN CC1(C)CC(=O)c2cc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)ccc2O1 ZINC000560732339 944314273 /nfs/dbraw/zinc/31/42/73/944314273.db2.gz SORPQYRBHQGOHP-UHFFFAOYSA-N 0 0 406.341 4.192 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000560784179 944329439 /nfs/dbraw/zinc/32/94/39/944329439.db2.gz NKIFBPBPBOEIJL-HUUCEWRRSA-N 0 0 407.474 4.198 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000560783418 944329649 /nfs/dbraw/zinc/32/96/49/944329649.db2.gz PKHRNTOFTIFZCC-QFIPXVFZSA-N 0 0 403.438 4.346 20 5 HIBDRN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000560817113 944343329 /nfs/dbraw/zinc/34/33/29/944343329.db2.gz SJUJFHODELVBSK-OAHLLOKOSA-N 0 0 410.655 4.287 20 5 HIBDRN CCOC(=O)C(C)(C)C1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000561069874 944427520 /nfs/dbraw/zinc/42/75/20/944427520.db2.gz FPUYKSHPTPERER-UHFFFAOYSA-N 0 0 404.507 4.334 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N2CC(C3CCC3)C2)cc1[N+](=O)[O-] ZINC000561096407 944447389 /nfs/dbraw/zinc/44/73/89/944447389.db2.gz ZGPFSWGEZVDHOO-UHFFFAOYSA-N 0 0 410.495 4.420 20 5 HIBDRN O=c1[nH]c(NCc2ccc(-c3nc4ccccc4s3)o2)nc2ccc([N+](=O)[O-])cc12 ZINC000561103898 944453977 /nfs/dbraw/zinc/45/39/77/944453977.db2.gz QWLWTAXWMNAHRX-UHFFFAOYSA-N 0 0 419.422 4.725 20 5 HIBDRN Cc1nc(-c2ccc([C@H](C)Nc3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)cc2)cs1 ZINC000561141047 944478706 /nfs/dbraw/zinc/47/87/06/944478706.db2.gz LGCJHBYNULUBGF-NSHDSACASA-N 0 0 407.455 4.849 20 5 HIBDRN CNC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)ccc1F ZINC000561177165 944499188 /nfs/dbraw/zinc/49/91/88/944499188.db2.gz YZBZLUAZIACBTB-UHFFFAOYSA-N 0 0 420.466 4.486 20 5 HIBDRN O=C(NCc1cnn2ccccc12)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000561184585 944505881 /nfs/dbraw/zinc/50/58/81/944505881.db2.gz HXBFRNSQRUHMCK-UHFFFAOYSA-N 0 0 410.499 4.455 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@H](C)[S@@]1=O ZINC000561202138 944512576 /nfs/dbraw/zinc/51/25/76/944512576.db2.gz RCCSKUIKEBWUHF-AZMQUPJVSA-N 0 0 418.540 4.118 20 5 HIBDRN CC(=O)c1cc(N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000561206880 944514908 /nfs/dbraw/zinc/51/49/08/944514908.db2.gz YJIQQYHFTTXHRY-JOCHJYFZSA-N 0 0 424.478 4.402 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000561263059 944532698 /nfs/dbraw/zinc/53/26/98/944532698.db2.gz OPUUVDATRCZVPY-SFHVURJKSA-N 0 0 406.364 4.298 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCc1nc(C(C)(C)c2cccc(C(F)(F)F)c2)no1 ZINC000561288386 944540483 /nfs/dbraw/zinc/54/04/83/944540483.db2.gz IRXBFDSRBSNDKF-UHFFFAOYSA-N 0 0 409.368 4.070 20 5 HIBDRN COc1ccccc1C1(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000561316148 944548248 /nfs/dbraw/zinc/54/82/48/944548248.db2.gz ZTNIUQBXRHZYRM-OAQYLSRUSA-N 0 0 406.486 4.138 20 5 HIBDRN CCc1ccc([C@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000561352034 944559826 /nfs/dbraw/zinc/55/98/26/944559826.db2.gz UUHOUDLFUQAGNQ-KRWDZBQOSA-N 0 0 405.454 4.431 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)c2ccc(C)cc2C)cc1OC ZINC000561386417 944572149 /nfs/dbraw/zinc/57/21/49/944572149.db2.gz JCWNSRAZNNCTLZ-UHFFFAOYSA-N 0 0 400.475 4.327 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000561480502 944624220 /nfs/dbraw/zinc/62/42/20/944624220.db2.gz NTIJRSHAWNNVFF-LJQANCHMSA-N 0 0 403.866 4.215 20 5 HIBDRN Cc1ccc(C[C@H]2CCCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C2)cc1 ZINC000561489027 944631015 /nfs/dbraw/zinc/63/10/15/944631015.db2.gz AQZKNZODDXSDFZ-LJQANCHMSA-N 0 0 404.470 4.184 20 5 HIBDRN CCOC(=O)c1cc(COC)cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC)c1 ZINC000561497477 944636583 /nfs/dbraw/zinc/63/65/83/944636583.db2.gz HPQKGXNGNXENQH-UHFFFAOYSA-N 0 0 418.471 4.282 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000561547266 944668563 /nfs/dbraw/zinc/66/85/63/944668563.db2.gz MMMRSAICHPQEAT-CYBMUJFWSA-N 0 0 416.421 4.006 20 5 HIBDRN NC(=O)c1ccc(NCCCCSc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000561645635 944724299 /nfs/dbraw/zinc/72/42/99/944724299.db2.gz CZJXTQLYKKSFOM-UHFFFAOYSA-N 0 0 424.320 4.441 20 5 HIBDRN Cc1noc(CSc2ccc(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])cc2)n1 ZINC000561694948 944750566 /nfs/dbraw/zinc/75/05/66/944750566.db2.gz AEWPYEFLXIGRRA-UHFFFAOYSA-N 0 0 412.471 4.244 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC000561706072 944755273 /nfs/dbraw/zinc/75/52/73/944755273.db2.gz BDGSIKSXKZZURV-UHFFFAOYSA-N 0 0 421.844 4.481 20 5 HIBDRN CC1(C)CC[C@H]1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000561705049 944755454 /nfs/dbraw/zinc/75/54/54/944755454.db2.gz KTXIZNGBBXJEQM-HXUWFJFHSA-N 0 0 404.470 4.295 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)c1OC ZINC000561717936 944760832 /nfs/dbraw/zinc/76/08/32/944760832.db2.gz PHNPCVQAWAMGKS-OAHLLOKOSA-N 0 0 413.474 4.012 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000561765267 944786917 /nfs/dbraw/zinc/78/69/17/944786917.db2.gz BAUHERJEIWJNJA-FQEVSTJZSA-N 0 0 417.799 4.370 20 5 HIBDRN COc1cc(Cc2noc(-c3coc(C4CCCCC4)n3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000561927195 944860741 /nfs/dbraw/zinc/86/07/41/944860741.db2.gz QYQNIRJPHZJSQS-UHFFFAOYSA-N 0 0 414.418 4.289 20 5 HIBDRN COc1cc(CN(C)Cc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000561935962 944864704 /nfs/dbraw/zinc/86/47/04/944864704.db2.gz GWGYLSNZADATGR-UHFFFAOYSA-N 0 0 406.307 4.254 20 5 HIBDRN CC[C@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)s1 ZINC000562158627 944985959 /nfs/dbraw/zinc/98/59/59/944985959.db2.gz AZMHDKRBJPGPEY-AWEZNQCLSA-N 0 0 421.906 4.068 20 5 HIBDRN CCSc1ccc([C@@H](C)NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000562240058 945037571 /nfs/dbraw/zinc/03/75/71/945037571.db2.gz WKDTVLQRMVVKPV-CQSZACIVSA-N 0 0 401.488 4.372 20 5 HIBDRN CCc1c(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000562316723 945058744 /nfs/dbraw/zinc/05/87/44/945058744.db2.gz HTJJFACYFJJHEG-UHFFFAOYSA-N 0 0 414.849 4.186 20 5 HIBDRN O=C(Cc1ccc(-n2cccc2)cc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000562344735 945062830 /nfs/dbraw/zinc/06/28/30/945062830.db2.gz UBXXTAJVMQFZCW-UHFFFAOYSA-N 0 0 403.360 4.263 20 5 HIBDRN O=C(Cc1ccccc1)N1CCc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc21 ZINC000564118302 945385869 /nfs/dbraw/zinc/38/58/69/945385869.db2.gz WSHVDCDLKRHHLF-UHFFFAOYSA-N 0 0 407.451 4.040 20 5 HIBDRN Cc1cc(SCC(=O)N(C)c2ccc([N+](=O)[O-])nc2)c(C)cc1Br ZINC000564157086 945405791 /nfs/dbraw/zinc/40/57/91/945405791.db2.gz QCJMNMINUPEJCI-UHFFFAOYSA-N 0 0 410.293 4.124 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000564236314 945454715 /nfs/dbraw/zinc/45/47/15/945454715.db2.gz HNKIZCAQEMYIRQ-HNNXBMFYSA-N 0 0 420.425 4.277 20 5 HIBDRN COc1nnccc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000564257112 945473914 /nfs/dbraw/zinc/47/39/14/945473914.db2.gz JZMTUWJTGHPZCU-UHFFFAOYSA-N 0 0 400.778 4.091 20 5 HIBDRN CO[C@H](C)c1nc(Cc2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cs1 ZINC000564263817 945480625 /nfs/dbraw/zinc/48/06/25/945480625.db2.gz HKEDWLAQWXUSGB-GFCCVEGCSA-N 0 0 418.478 4.486 20 5 HIBDRN CCCC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC)c1ccc(OC)cc1 ZINC000564455902 945599348 /nfs/dbraw/zinc/59/93/48/945599348.db2.gz YCAABZFHXYNOAK-LJQANCHMSA-N 0 0 413.474 4.152 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000564461910 945601630 /nfs/dbraw/zinc/60/16/30/945601630.db2.gz JUUKAUPZYYIYTB-UHFFFAOYSA-N 0 0 410.257 4.061 20 5 HIBDRN NC(=O)c1ccc(OCC(F)F)c(N[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000564540821 945663244 /nfs/dbraw/zinc/66/32/44/945663244.db2.gz KRWSKNKMPXOLSM-CJNGLKHVSA-N 0 0 419.428 4.161 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(F)c(F)cc1N1CCCCC1 ZINC000564559838 945677934 /nfs/dbraw/zinc/67/79/34/945677934.db2.gz SOZCPNHDBNJPBO-UHFFFAOYSA-N 0 0 404.417 4.222 20 5 HIBDRN COc1ccc([C@H](Cc2ccccc2)NC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000564581955 945687223 /nfs/dbraw/zinc/68/72/23/945687223.db2.gz ANGBSLMTLFEFHQ-NRFANRHFSA-N 0 0 405.454 4.387 20 5 HIBDRN C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1 ZINC000564718043 945739184 /nfs/dbraw/zinc/73/91/84/945739184.db2.gz JGFDFGGDYAPICT-OLZOCXBDSA-N 0 0 407.264 4.045 20 5 HIBDRN C[C@@H](C(=O)NCCc1c[nH]c2ccc(Br)cc12)c1cccc([N+](=O)[O-])c1 ZINC000564723494 945742044 /nfs/dbraw/zinc/74/20/44/945742044.db2.gz ZUYOZXXBERPMRC-GFCCVEGCSA-N 0 0 416.275 4.301 20 5 HIBDRN C[C@]12CCN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000565073947 945767406 /nfs/dbraw/zinc/76/74/06/945767406.db2.gz 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CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000565414627 945827259 /nfs/dbraw/zinc/82/72/59/945827259.db2.gz QYZWQQUCWQMWFP-UHFFFAOYSA-N 0 0 415.496 4.036 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000565569667 945851075 /nfs/dbraw/zinc/85/10/75/945851075.db2.gz OSMKCDLXNVPZHW-VIFPVBQESA-N 0 0 415.755 4.083 20 5 HIBDRN C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc(Oc2cccnc2)cc1 ZINC000565736908 945875615 /nfs/dbraw/zinc/87/56/15/945875615.db2.gz KUTMWKWMVDMLOR-ZDUSSCGKSA-N 0 0 407.382 4.002 20 5 HIBDRN C[C@H]1SCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)[C@@H]1C ZINC000565748752 945879434 /nfs/dbraw/zinc/87/94/34/945879434.db2.gz HHMBZLNOTWBKMP-HZPDHXFCSA-N 0 0 409.515 4.232 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC2(C(F)(F)F)CC2)cc1 ZINC000566074840 945999157 /nfs/dbraw/zinc/99/91/57/945999157.db2.gz ROIIYXFXNZPMNO-UHFFFAOYSA-N 0 0 410.348 4.468 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(COCc3ccc(OC)cc3)c2)n1 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COc1cc([N+](=O)[O-])ccc1OC[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000569910212 947043916 /nfs/dbraw/zinc/04/39/16/947043916.db2.gz BBKKIEJYQZAEGF-RDPSFJRHSA-N 0 0 423.465 4.458 20 5 HIBDRN O=C(NCc1cc(F)cc(Br)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000570064261 947082147 /nfs/dbraw/zinc/08/21/47/947082147.db2.gz WBOWXLVASSAKNH-UHFFFAOYSA-N 0 0 421.144 4.445 20 5 HIBDRN C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000570147594 947114932 /nfs/dbraw/zinc/11/49/32/947114932.db2.gz WVBBKACOEWHZOS-HTAPYJJXSA-N 0 0 417.465 4.065 20 5 HIBDRN CC(C)C(=O)c1ccc([C@H](C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000570316783 947196451 /nfs/dbraw/zinc/19/64/51/947196451.db2.gz OPAVVCBCBVNVLN-HNNXBMFYSA-N 0 0 407.470 4.377 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1OCC(F)(F)F ZINC000570361801 947217573 /nfs/dbraw/zinc/21/75/73/947217573.db2.gz HGESAEGMGWHJIO-UHFFFAOYSA-N 0 0 422.363 4.381 20 5 HIBDRN O=C(COc1cc(Cl)ccc1Cl)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 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846291996 /nfs/dbraw/zinc/29/19/96/846291996.db2.gz ZQEMXEIEIUZJOL-UHFFFAOYSA-N 0 0 400.309 4.153 20 5 HIBDRN Cc1c(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000018090129 846294265 /nfs/dbraw/zinc/29/42/65/846294265.db2.gz PZMHPTZUZQDFAP-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000018105793 846295765 /nfs/dbraw/zinc/29/57/65/846295765.db2.gz IJAZLRJTIMXHAY-UHFFFAOYSA-N 0 0 412.877 4.082 20 5 HIBDRN CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000018438110 846326065 /nfs/dbraw/zinc/32/60/65/846326065.db2.gz RSMPWAWBZMSPLW-AWEZNQCLSA-N 0 0 402.472 4.381 20 5 HIBDRN O=C(COC(=O)c1cc2cc(Cl)ccc2o1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000018750895 846339343 /nfs/dbraw/zinc/33/93/43/846339343.db2.gz LKMJBFZLBMJXLE-UHFFFAOYSA-N 0 0 409.181 4.443 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc2cc(Cl)ccc2o1 ZINC000018750835 846339856 /nfs/dbraw/zinc/33/98/56/846339856.db2.gz GVDMBVPHNKSDLI-JTQLQIEISA-N 0 0 418.789 4.187 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000436348982 861666302 /nfs/dbraw/zinc/66/63/02/861666302.db2.gz BICUEECUHAPPMQ-JOCHJYFZSA-N 0 0 402.425 4.034 20 5 HIBDRN CN(Cc1ccc(Br)s1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000018837249 846345011 /nfs/dbraw/zinc/34/50/11/846345011.db2.gz QGPIKLYKUTWTJG-UHFFFAOYSA-N 0 0 401.307 4.170 20 5 HIBDRN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(Br)s1 ZINC000018939833 846346149 /nfs/dbraw/zinc/34/61/49/846346149.db2.gz ZKZVUGIIDHKIGZ-UHFFFAOYSA-N 0 0 418.700 4.143 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1ccc([N+](=O)[O-])cc1 ZINC000018968529 846350635 /nfs/dbraw/zinc/35/06/35/846350635.db2.gz CXIUCNWQFKCCEG-UHFFFAOYSA-N 0 0 413.308 4.067 20 5 HIBDRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 ZINC000019161308 846354641 /nfs/dbraw/zinc/35/46/41/846354641.db2.gz XIMJTBMCCOFVAH-UHFFFAOYSA-N 0 0 415.405 4.265 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000019159502 846354936 /nfs/dbraw/zinc/35/49/36/846354936.db2.gz PUBDSDYIKIQLQE-UHFFFAOYSA-N 0 0 408.410 4.200 20 5 HIBDRN O=C(Nc1ccc(Br)cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000020677255 846387651 /nfs/dbraw/zinc/38/76/51/846387651.db2.gz HPRJNGVXBGUZRC-UHFFFAOYSA-N 0 0 413.611 4.034 20 5 HIBDRN O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000020862264 846392076 /nfs/dbraw/zinc/39/20/76/846392076.db2.gz YINSDNJXLTUIOB-UHFFFAOYSA-N 0 0 424.482 4.151 20 5 HIBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000020938298 846396235 /nfs/dbraw/zinc/39/62/35/846396235.db2.gz WZATXIZHNUSLMY-UHFFFAOYSA-N 0 0 410.499 4.290 20 5 HIBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1[N+](=O)[O-] ZINC000021205755 846417340 /nfs/dbraw/zinc/41/73/40/846417340.db2.gz WSCTUITUUQUWNW-UHFFFAOYSA-N 0 0 413.386 4.495 20 5 HIBDRN COc1cccc(CCCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000436352784 861676237 /nfs/dbraw/zinc/67/62/37/861676237.db2.gz OVZAZVCQGYCGNM-UHFFFAOYSA-N 0 0 422.431 4.331 20 5 HIBDRN C[C@H](OC(=O)CC1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000021450313 846446411 /nfs/dbraw/zinc/44/64/11/846446411.db2.gz DENUAUMCQNRFEA-NSHDSACASA-N 0 0 402.369 4.454 20 5 HIBDRN COc1ccc(-n2ccnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000021491974 846453356 /nfs/dbraw/zinc/45/33/56/846453356.db2.gz ZLSDQZFILDDVHN-UHFFFAOYSA-N 0 0 418.862 4.173 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000021527536 846457804 /nfs/dbraw/zinc/45/78/04/846457804.db2.gz GABMEUYKAXIARU-JTQLQIEISA-N 0 0 417.468 4.095 20 5 HIBDRN CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000021586651 846467103 /nfs/dbraw/zinc/46/71/03/846467103.db2.gz KLOFRLVQNSFYQL-UHFFFAOYSA-N 0 0 411.458 4.206 20 5 HIBDRN O=C(c1ccccc1)c1ccc(Sc2nnnn2Cc2cccs2)c([N+](=O)[O-])c1 ZINC000021674085 846480465 /nfs/dbraw/zinc/48/04/65/846480465.db2.gz WWLUMBMRURKMML-UHFFFAOYSA-N 0 0 423.479 4.073 20 5 HIBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1sc2ccccc2c1Cl ZINC000021977476 846517088 /nfs/dbraw/zinc/51/70/88/846517088.db2.gz LUIJMSUDNVKLCY-UHFFFAOYSA-N 0 0 418.858 4.326 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000022003871 846519177 /nfs/dbraw/zinc/51/91/77/846519177.db2.gz VQLBEEODARQRDN-FQEVSTJZSA-N 0 0 418.449 4.160 20 5 HIBDRN Cc1ccc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000022051159 846525493 /nfs/dbraw/zinc/52/54/93/846525493.db2.gz VMXMVSKEHGLCQN-UHFFFAOYSA-N 0 0 408.458 4.404 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(F)cc2N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000022133048 846535174 /nfs/dbraw/zinc/53/51/74/846535174.db2.gz GERPBMRMDGOEFB-FQEVSTJZSA-N 0 0 423.400 4.161 20 5 HIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000022161715 846538841 /nfs/dbraw/zinc/53/88/41/846538841.db2.gz JSDAWZOQJHQSGI-NWDGAFQWSA-N 0 0 422.890 4.393 20 5 HIBDRN CC[C@@H]1CCCCN1C(=O)CSc1nc2cc3ccccc3cc2c(=O)n1CC ZINC000022177754 846540576 /nfs/dbraw/zinc/54/05/76/846540576.db2.gz PDAAOBIGOJBHDU-GOSISDBHSA-N 0 0 409.555 4.453 20 5 HIBDRN CCn1c(=O)c2cc3ccccc3cc2nc1S[C@H](C)C(=O)N1CCC(C)CC1 ZINC000022178438 846541719 /nfs/dbraw/zinc/54/17/19/846541719.db2.gz HTNWIPMUNOYOAB-MRXNPFEDSA-N 0 0 409.555 4.309 20 5 HIBDRN C[C@@H](OC(=O)CSc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000022214749 846546173 /nfs/dbraw/zinc/54/61/73/846546173.db2.gz DZWHSGAHHPFXDD-SNVBAGLBSA-N 0 0 412.826 4.050 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022424371 846569502 /nfs/dbraw/zinc/56/95/02/846569502.db2.gz BFULQPINAYVNJT-UHFFFAOYSA-N 0 0 423.498 4.068 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000022469369 846575309 /nfs/dbraw/zinc/57/53/09/846575309.db2.gz PRPIPRSJZDBYPD-NWDGAFQWSA-N 0 0 416.817 4.417 20 5 HIBDRN COC(=O)c1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c([N+](=O)[O-])c1 ZINC000022519146 846581746 /nfs/dbraw/zinc/58/17/46/846581746.db2.gz ROEHOEDRAQUESR-UHFFFAOYSA-N 0 0 423.303 4.029 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000022547674 846584716 /nfs/dbraw/zinc/58/47/16/846584716.db2.gz OMAITTXYAGBJDA-GHMZBOCLSA-N 0 0 411.241 4.324 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000022548013 846584896 /nfs/dbraw/zinc/58/48/96/846584896.db2.gz WPJXDQIATGUOKL-NWDGAFQWSA-N 0 0 416.817 4.417 20 5 HIBDRN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000022652589 846598876 /nfs/dbraw/zinc/59/88/76/846598876.db2.gz FQFKJIPFWNOCGS-AWEZNQCLSA-N 0 0 401.488 4.196 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022654378 846599030 /nfs/dbraw/zinc/59/90/30/846599030.db2.gz HJVFCCSHSOHNFI-HNNXBMFYSA-N 0 0 419.934 4.073 20 5 HIBDRN C[C@H](OC(=O)c1csc2c1CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000022667845 846599572 /nfs/dbraw/zinc/59/95/72/846599572.db2.gz 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COCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000023271252 846679373 /nfs/dbraw/zinc/67/93/73/846679373.db2.gz DPLVXTHXQWEYJQ-LBPRGKRZSA-N 0 0 419.890 4.458 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NCc3nc4ccccc4s3)cc2[N+](=O)[O-])CC1 ZINC000023424790 846700751 /nfs/dbraw/zinc/70/07/51/846700751.db2.gz QVIVUKCJBXWZNQ-UHFFFAOYSA-N 0 0 410.499 4.371 20 5 HIBDRN C[C@@H]1CCN(C(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2S1 ZINC000023552256 846719934 /nfs/dbraw/zinc/71/99/34/846719934.db2.gz MFYHHMXFRZMULJ-GFCCVEGCSA-N 0 0 420.874 4.323 20 5 HIBDRN COc1ccccc1CN(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000023593835 846724914 /nfs/dbraw/zinc/72/49/14/846724914.db2.gz RDMOBDNHGQYYET-UHFFFAOYSA-N 0 0 405.454 4.488 20 5 HIBDRN CC(=O)N(c1nc(COC(=O)c2ccc([N+](=O)[O-])s2)cs1)c1ccccc1 ZINC000023631345 846732697 /nfs/dbraw/zinc/73/26/97/846732697.db2.gz LUFSALGVVOJDTN-UHFFFAOYSA-N 0 0 403.441 4.154 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000023699446 846741744 /nfs/dbraw/zinc/74/17/44/846741744.db2.gz VREHPZAXBLGKBI-GFCCVEGCSA-N 0 0 414.245 4.043 20 5 HIBDRN CN(CCOc1ccc(F)cc1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000024187766 846798515 /nfs/dbraw/zinc/79/85/15/846798515.db2.gz YPCYUBHVWNOKIC-UHFFFAOYSA-N 0 0 423.444 4.497 20 5 HIBDRN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000024758535 846864204 /nfs/dbraw/zinc/86/42/04/846864204.db2.gz XRXVQUPXIDUZRY-UHFFFAOYSA-N 0 0 412.398 4.050 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000024775068 846865270 /nfs/dbraw/zinc/86/52/70/846865270.db2.gz XFEKKPCVAUQDNZ-UHFFFAOYSA-N 0 0 410.470 4.175 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000024792099 846868178 /nfs/dbraw/zinc/86/81/78/846868178.db2.gz BVNQMLWSAOHSPK-UHFFFAOYSA-N 0 0 421.501 4.023 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000024810803 846871328 /nfs/dbraw/zinc/87/13/28/846871328.db2.gz PXISBVARYWSQLF-UHFFFAOYSA-N 0 0 406.438 4.230 20 5 HIBDRN O=C(COC(=O)CSc1ccccc1[N+](=O)[O-])Nc1c(Cl)cccc1Cl ZINC000024972915 846898963 /nfs/dbraw/zinc/89/89/63/846898963.db2.gz SETVAEMLTJJJOE-UHFFFAOYSA-N 0 0 415.254 4.176 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000024997916 846902206 /nfs/dbraw/zinc/90/22/06/846902206.db2.gz SGJDUEDNHWWZPO-QWHCGFSZSA-N 0 0 406.435 4.093 20 5 HIBDRN CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000025387066 846971242 /nfs/dbraw/zinc/97/12/42/846971242.db2.gz MMPIQNMVKGVZHU-ZDUSSCGKSA-N 0 0 420.849 4.448 20 5 HIBDRN CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000025387070 846971474 /nfs/dbraw/zinc/97/14/74/846971474.db2.gz MMPIQNMVKGVZHU-CYBMUJFWSA-N 0 0 420.849 4.448 20 5 HIBDRN CNc1ccc(C(=O)OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1[N+](=O)[O-] ZINC000025449336 846978154 /nfs/dbraw/zinc/97/81/54/846978154.db2.gz KYTVNVGXOXLJDW-UHFFFAOYSA-N 0 0 422.319 4.062 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2cc(C)sc2C)c([N+](=O)[O-])c1 ZINC000025497843 846987837 /nfs/dbraw/zinc/98/78/37/846987837.db2.gz MDSFRDIBCBSCBQ-CYBMUJFWSA-N 0 0 411.549 4.477 20 5 HIBDRN COc1ccc(C)cc1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000025552161 846999824 /nfs/dbraw/zinc/99/98/24/846999824.db2.gz HSZMEBYOMYRUDC-UHFFFAOYSA-N 0 0 405.454 4.454 20 5 HIBDRN O=C(Nc1ccc(F)cc1)C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436398656 861743410 /nfs/dbraw/zinc/74/34/10/861743410.db2.gz VSPOAKKUNFQNNQ-UHFFFAOYSA-N 0 0 412.343 4.003 20 5 HIBDRN CCn1c(SCC(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1cccs1 ZINC000025719601 847026323 /nfs/dbraw/zinc/02/63/23/847026323.db2.gz GUIWKHXRPVJNNP-GFCCVEGCSA-N 0 0 418.500 4.331 20 5 HIBDRN COc1ccc(OC)c(CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000025806760 847040051 /nfs/dbraw/zinc/04/00/51/847040051.db2.gz WELAUSFTNDNAJW-CQSZACIVSA-N 0 0 416.499 4.284 20 5 HIBDRN CCOc1ccc(NC(=O)CSc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 ZINC000025979450 847065575 /nfs/dbraw/zinc/06/55/75/847065575.db2.gz VPPYOFJXVADVTM-UHFFFAOYSA-N 0 0 422.413 4.469 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 ZINC000025983006 847067240 /nfs/dbraw/zinc/06/72/40/847067240.db2.gz WKSJSPGLQRLEHX-SNVBAGLBSA-N 0 0 422.413 4.468 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000436404646 861751773 /nfs/dbraw/zinc/75/17/73/861751773.db2.gz CGDPUZNRLGQGFU-QGZVFWFLSA-N 0 0 422.840 4.129 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000026113273 847087446 /nfs/dbraw/zinc/08/74/46/847087446.db2.gz XMAUCTLQOJTMEF-UHFFFAOYSA-N 0 0 420.421 4.278 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000026117143 847089314 /nfs/dbraw/zinc/08/93/14/847089314.db2.gz ABGXZJDMXPVQNY-INIZCTEOSA-N 0 0 411.458 4.078 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)COC(=O)c3c(C)cccc3[N+](=O)[O-])c2)cs1 ZINC000026119723 847090482 /nfs/dbraw/zinc/09/04/82/847090482.db2.gz COMLDIYVOXETRO-UHFFFAOYSA-N 0 0 411.439 4.131 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)Cc1cccc(C(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000436406538 861754400 /nfs/dbraw/zinc/75/44/00/861754400.db2.gz GYAUVOTUTUVNRQ-KRWDZBQOSA-N 0 0 420.412 4.274 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1OC ZINC000026325189 847123895 /nfs/dbraw/zinc/12/38/95/847123895.db2.gz QMBZNKRRPDBVBT-UHFFFAOYSA-N 0 0 415.446 4.239 20 5 HIBDRN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026347316 847130487 /nfs/dbraw/zinc/13/04/87/847130487.db2.gz AMFYWZLKTWPHNL-STQMWFEESA-N 0 0 412.515 4.211 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc2sc3ccccc3n12 ZINC000026368007 847135387 /nfs/dbraw/zinc/13/53/87/847135387.db2.gz LQWPGFAJOTYVDH-UHFFFAOYSA-N 0 0 413.484 4.282 20 5 HIBDRN Cc1cc2nnc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])n2c2ccccc12 ZINC000026368028 847135510 /nfs/dbraw/zinc/13/55/10/847135510.db2.gz DFMOHFFPNPSMRW-UHFFFAOYSA-N 0 0 407.455 4.220 20 5 HIBDRN O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000026402169 847139653 /nfs/dbraw/zinc/13/96/53/847139653.db2.gz YGSQUBBURGPRHI-UHFFFAOYSA-N 0 0 411.389 4.346 20 5 HIBDRN CCOc1cc(CN(C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000026454303 847149548 /nfs/dbraw/zinc/14/95/48/847149548.db2.gz LDSYCVCBKUFYAG-ZDUSSCGKSA-N 0 0 423.416 4.054 20 5 HIBDRN COCc1c(C(=O)OCc2cc([N+](=O)[O-])ccc2OC)sc2cccc(F)c21 ZINC000026667294 847182913 /nfs/dbraw/zinc/18/29/13/847182913.db2.gz BJITWYXPUDSKLR-UHFFFAOYSA-N 0 0 405.403 4.461 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1Cl ZINC000026975230 847228728 /nfs/dbraw/zinc/22/87/28/847228728.db2.gz ZWGQXEDAJZIZJG-UHFFFAOYSA-N 0 0 417.849 4.277 20 5 HIBDRN COc1ccccc1CC(C)(C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436414451 861767514 /nfs/dbraw/zinc/76/75/14/861767514.db2.gz JCEUKDGOVVETHN-UHFFFAOYSA-N 0 0 400.478 4.441 20 5 HIBDRN CC[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000027153938 847257548 /nfs/dbraw/zinc/25/75/48/847257548.db2.gz LKUCIJFYPIGGIW-INIZCTEOSA-N 0 0 409.486 4.154 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2OC(F)F)cc([N+](=O)[O-])c1 ZINC000027353845 847289382 /nfs/dbraw/zinc/28/93/82/847289382.db2.gz JPKQGJNVSIPOLO-MRXNPFEDSA-N 0 0 422.384 4.254 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000027376781 847291807 /nfs/dbraw/zinc/29/18/07/847291807.db2.gz MOMGHHXNEFPEQO-MRXNPFEDSA-N 0 0 408.458 4.334 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1 ZINC000027461115 847306495 /nfs/dbraw/zinc/30/64/95/847306495.db2.gz HSGJVKKZZKMSJF-UHFFFAOYSA-N 0 0 423.897 4.067 20 5 HIBDRN COc1cc(C)c(CN(C)Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cc1OC ZINC000027530154 847316707 /nfs/dbraw/zinc/31/67/07/847316707.db2.gz GMLYYRICIOJWEC-UHFFFAOYSA-N 0 0 403.460 4.287 20 5 HIBDRN COc1cc(C(=O)NCCc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC(F)F ZINC000027648965 847331631 /nfs/dbraw/zinc/33/16/31/847331631.db2.gz JGBFJMJSXPATEN-UHFFFAOYSA-N 0 0 416.380 4.331 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000027974694 847369533 /nfs/dbraw/zinc/36/95/33/847369533.db2.gz FJYBZRLRQCOOPI-OAHLLOKOSA-N 0 0 403.485 4.039 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000027964363 847369761 /nfs/dbraw/zinc/36/97/61/847369761.db2.gz LEEAZPWLLWRRGJ-UHFFFAOYSA-N 0 0 420.424 4.308 20 5 HIBDRN COc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000028043005 847378709 /nfs/dbraw/zinc/37/87/09/847378709.db2.gz FSPSFKLZLRAVOU-SNVBAGLBSA-N 0 0 419.286 4.292 20 5 HIBDRN CCOC(=O)c1cc(CC)sc1NC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000028243127 847398360 /nfs/dbraw/zinc/39/83/60/847398360.db2.gz UKCXRTVATIDLLM-UHFFFAOYSA-N 0 0 422.459 4.055 20 5 HIBDRN CCOc1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c32)c([N+](=O)[O-])c1 ZINC000028381820 847413799 /nfs/dbraw/zinc/41/37/99/847413799.db2.gz OSRYGEHUVOIPIO-UHFFFAOYSA-N 0 0 418.500 4.346 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000028400790 847415952 /nfs/dbraw/zinc/41/59/52/847415952.db2.gz RSWPXNINJSBJGX-RYUDHWBXSA-N 0 0 422.890 4.393 20 5 HIBDRN CC(C)Cc1nnc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000028604958 847435192 /nfs/dbraw/zinc/43/51/92/847435192.db2.gz HUTRSPNOAWQTAY-UHFFFAOYSA-N 0 0 420.438 4.394 20 5 HIBDRN CC1CCN(C(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000028609984 847436396 /nfs/dbraw/zinc/43/63/96/847436396.db2.gz ZRXRIOYVWNJESD-UHFFFAOYSA-N 0 0 422.437 4.006 20 5 HIBDRN O=[N+]([O-])c1cc(CSc2nnc(C3CC3)n2Cc2ccccc2)c2c(c1)COCO2 ZINC000028799237 847462717 /nfs/dbraw/zinc/46/27/17/847462717.db2.gz DOSYPBIQEHLDNT-UHFFFAOYSA-N 0 0 424.482 4.271 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2[N+](=O)[O-])n1 ZINC000028884616 847471942 /nfs/dbraw/zinc/47/19/42/847471942.db2.gz DWQIVKNMYSZFQG-UHFFFAOYSA-N 0 0 419.513 4.492 20 5 HIBDRN CSc1ccccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000028928857 847479572 /nfs/dbraw/zinc/47/95/72/847479572.db2.gz WKFKNUNNDOVZIO-UHFFFAOYSA-N 0 0 414.361 4.131 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000029243961 847529553 /nfs/dbraw/zinc/52/95/53/847529553.db2.gz SJKOBAGCJRDIGI-NSHDSACASA-N 0 0 410.348 4.281 20 5 HIBDRN O=C(CSc1ccc(F)c(Cl)c1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000029444290 847564513 /nfs/dbraw/zinc/56/45/13/847564513.db2.gz GAYCZEPJIYQQNQ-UHFFFAOYSA-N 0 0 412.826 4.279 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000029516590 847572913 /nfs/dbraw/zinc/57/29/13/847572913.db2.gz FTFDNWVFIUSTSO-IYBDPMFKSA-N 0 0 409.486 4.010 20 5 HIBDRN Cc1cccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000029531737 847575317 /nfs/dbraw/zinc/57/53/17/847575317.db2.gz MSQYEUAGOYOMCW-UHFFFAOYSA-N 0 0 407.392 4.275 20 5 HIBDRN COc1cccc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1[N+](=O)[O-] ZINC000436447317 861806924 /nfs/dbraw/zinc/80/69/24/861806924.db2.gz IBJLDOIRKBVMNA-CQSZACIVSA-N 0 0 406.719 4.429 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000436453988 861809258 /nfs/dbraw/zinc/80/92/58/861809258.db2.gz YBBVCXBYNSRYRG-UHFFFAOYSA-N 0 0 414.465 4.242 20 5 HIBDRN COc1ccc(C2(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CCOCC2)cc1F ZINC000436456187 861810113 /nfs/dbraw/zinc/81/01/13/861810113.db2.gz UJLOQNSDYGUANW-UHFFFAOYSA-N 0 0 416.449 4.302 20 5 HIBDRN COC(=O)c1cc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000029849615 847633323 /nfs/dbraw/zinc/63/33/23/847633323.db2.gz ZUPNKEPHVZYVFQ-JOCHJYFZSA-N 0 0 416.433 4.169 20 5 HIBDRN O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029889607 847641937 /nfs/dbraw/zinc/64/19/37/847641937.db2.gz VJMRMZPXLXBGKN-UHFFFAOYSA-N 0 0 408.435 4.297 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000436463437 861813445 /nfs/dbraw/zinc/81/34/45/861813445.db2.gz YKCWAXRWPSNTKQ-HNNXBMFYSA-N 0 0 406.719 4.186 20 5 HIBDRN CC(C)c1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1Cc1ccco1 ZINC000029963437 847660963 /nfs/dbraw/zinc/66/09/63/847660963.db2.gz KQFKLOJABVGZIA-UHFFFAOYSA-N 0 0 416.459 4.110 20 5 HIBDRN O=C(NCCCn1cccn1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000030171889 847684712 /nfs/dbraw/zinc/68/47/12/847684712.db2.gz AWRORRUHXVGUTI-UHFFFAOYSA-N 0 0 416.890 4.416 20 5 HIBDRN Cc1c(NCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000030290720 847698721 /nfs/dbraw/zinc/69/87/21/847698721.db2.gz COPWEVSAXQADJA-KRWDZBQOSA-N 0 0 410.455 4.348 20 5 HIBDRN Cc1nn(C)c2ncc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc12 ZINC000030804404 847778590 /nfs/dbraw/zinc/77/85/90/847778590.db2.gz FAXFEMHYDYHKSJ-UHFFFAOYSA-N 0 0 416.441 4.049 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000031022636 847809332 /nfs/dbraw/zinc/80/93/32/847809332.db2.gz CBHXTTYOCNCOFN-ZDUSSCGKSA-N 0 0 402.476 4.244 20 5 HIBDRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031208865 847843890 /nfs/dbraw/zinc/84/38/90/847843890.db2.gz XVBQPISLMWTTQL-UHFFFAOYSA-N 0 0 405.241 4.360 20 5 HIBDRN CSc1ccc(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000031211548 847844709 /nfs/dbraw/zinc/84/47/09/847844709.db2.gz MZTUVXYEQJTVKZ-CQSZACIVSA-N 0 0 419.934 4.489 20 5 HIBDRN O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031294752 847859031 /nfs/dbraw/zinc/85/90/31/847859031.db2.gz FEXAHUIJMDSCSV-UHFFFAOYSA-N 0 0 411.458 4.425 20 5 HIBDRN COC(=O)c1cc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc([N+](=O)[O-])c1 ZINC000031317276 847861868 /nfs/dbraw/zinc/86/18/68/847861868.db2.gz POSZDKGMRLZWFE-UHFFFAOYSA-N 0 0 422.359 4.205 20 5 HIBDRN CSc1ccc(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1[N+](=O)[O-] ZINC000031562461 847908952 /nfs/dbraw/zinc/90/89/52/847908952.db2.gz UMLMNEJPOPUSOS-LBPRGKRZSA-N 0 0 414.462 4.441 20 5 HIBDRN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000031660029 847924054 /nfs/dbraw/zinc/92/40/54/847924054.db2.gz RNOZWODISMJCIY-HSZRJFAPSA-N 0 0 401.422 4.229 20 5 HIBDRN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2sc3ccccc3c2Cl)C1=O ZINC000031661426 847925370 /nfs/dbraw/zinc/92/53/70/847925370.db2.gz PGCGIVGGMUSIDJ-IBGZPJMESA-N 0 0 415.858 4.430 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000031664575 847925651 /nfs/dbraw/zinc/92/56/51/847925651.db2.gz AHZWMIABNIHBHW-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000031673799 847926581 /nfs/dbraw/zinc/92/65/81/847926581.db2.gz VBKRCEFTSATPOP-UHFFFAOYSA-N 0 0 424.457 4.104 20 5 HIBDRN Cc1c(NC(=O)c2ccc(Cl)c(I)c2)cccc1[N+](=O)[O-] ZINC000031702171 847933495 /nfs/dbraw/zinc/93/34/95/847933495.db2.gz YTKHROYZRQXMEW-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN CCNc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 ZINC000031766313 847944827 /nfs/dbraw/zinc/94/48/27/847944827.db2.gz WDKLSLHUBMUCKY-UHFFFAOYSA-N 0 0 417.878 4.354 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000031773078 847946091 /nfs/dbraw/zinc/94/60/91/847946091.db2.gz UWSRHLZNBWMECP-UHFFFAOYSA-N 0 0 405.241 4.328 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CSc3nc(C4CC4)n(-c4ccccc4)n3)n2)c1 ZINC000031842429 847957746 /nfs/dbraw/zinc/95/77/46/847957746.db2.gz AUTGFPJTTCSZDH-UHFFFAOYSA-N 0 0 420.454 4.395 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000031930801 847966849 /nfs/dbraw/zinc/96/68/49/847966849.db2.gz VYAUEEIGBCUNFD-UHFFFAOYSA-N 0 0 402.410 4.313 20 5 HIBDRN O=C(Nc1ccccc1N1CCCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032141110 847987898 /nfs/dbraw/zinc/98/78/98/847987898.db2.gz NZVQFHTZUFMUOW-UHFFFAOYSA-N 0 0 405.458 4.413 20 5 HIBDRN CC(C)(C)c1nc2cc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)ccc2o1 ZINC000032178538 847991540 /nfs/dbraw/zinc/99/15/40/847991540.db2.gz IMIPRRAMLXSTSP-UHFFFAOYSA-N 0 0 405.414 4.472 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1OC(C)C 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403.438 4.140 20 5 HIBDRN C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C2CC2)o1 ZINC000041895172 848263018 /nfs/dbraw/zinc/26/30/18/848263018.db2.gz YLVVRINJJSPADA-KBXCAEBGSA-N 0 0 406.442 4.302 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c1 ZINC000041930549 848265747 /nfs/dbraw/zinc/26/57/47/848265747.db2.gz YGXOSDCEUYIHBY-UHFFFAOYSA-N 0 0 405.863 4.349 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000041934791 848266841 /nfs/dbraw/zinc/26/68/41/848266841.db2.gz DLABLFCBZRLGDU-LLVKDONJSA-N 0 0 407.879 4.069 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)cc1[N+](=O)[O-] ZINC000041948187 848267775 /nfs/dbraw/zinc/26/77/75/848267775.db2.gz BFGJTKGNASPMJJ-UHFFFAOYSA-N 0 0 409.398 4.360 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000042003063 848273186 /nfs/dbraw/zinc/27/31/86/848273186.db2.gz YLYMMYXEPSBBAC-KRWDZBQOSA-N 0 0 417.465 4.179 20 5 HIBDRN Cc1nc(CN2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)cs1 ZINC000042106574 848287021 /nfs/dbraw/zinc/28/70/21/848287021.db2.gz VPSSHDLPZSIUQM-UHFFFAOYSA-N 0 0 402.523 4.111 20 5 HIBDRN CC(=O)Nc1cccc(Nc2nnc(SCCc3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000042156534 848294982 /nfs/dbraw/zinc/29/49/82/848294982.db2.gz DNLALJPOPUQKAB-UHFFFAOYSA-N 0 0 415.500 4.483 20 5 HIBDRN COc1ccc(CNc2nnc(SCc3ccc(OC)c([N+](=O)[O-])c3)s2)cc1 ZINC000042154557 848295056 /nfs/dbraw/zinc/29/50/56/848295056.db2.gz QCAKBORYAGWSKT-UHFFFAOYSA-N 0 0 418.500 4.368 20 5 HIBDRN O=C(NCc1ccccc1Br)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000042354971 848320558 /nfs/dbraw/zinc/32/05/58/848320558.db2.gz WIHDNRJAZWUCJH-UHFFFAOYSA-N 0 0 414.053 4.050 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc([N+](=O)[O-])ccc4OC)CC3)c2c1 ZINC000042970306 848368687 /nfs/dbraw/zinc/36/86/87/848368687.db2.gz LTAZFBSWWZRTOH-UHFFFAOYSA-N 0 0 407.426 4.023 20 5 HIBDRN CCOCCOCc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000043341532 848411640 /nfs/dbraw/zinc/41/16/40/848411640.db2.gz UNBIADCVXIPHAU-UHFFFAOYSA-N 0 0 407.854 4.123 20 5 HIBDRN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342673 848411665 /nfs/dbraw/zinc/41/16/65/848411665.db2.gz FBEWZRBXYFJQMT-UHFFFAOYSA-N 0 0 416.865 4.196 20 5 HIBDRN COc1ccc(Br)cc1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000043348134 848412616 /nfs/dbraw/zinc/41/26/16/848412616.db2.gz HJMNGNSCLRPKCR-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000043770188 848462828 /nfs/dbraw/zinc/46/28/28/848462828.db2.gz JIILDUQPOWSYGJ-UHFFFAOYSA-N 0 0 412.877 4.382 20 5 HIBDRN CCCOc1cc(NC(=O)N[C@@H](C)c2ccccn2)c([N+](=O)[O-])cc1OCCC ZINC000043878409 848485059 /nfs/dbraw/zinc/48/50/59/848485059.db2.gz QYJXTLPGVZCJAQ-AWEZNQCLSA-N 0 0 402.451 4.450 20 5 HIBDRN O=[N+]([O-])c1ccccc1CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000044171621 848524749 /nfs/dbraw/zinc/52/47/49/848524749.db2.gz BAKZUJTYOPCKNM-QGZVFWFLSA-N 0 0 414.462 4.464 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)NC2CC2)cc1 ZINC000044627302 848582387 /nfs/dbraw/zinc/58/23/87/848582387.db2.gz UQIQQHOPDMPDCY-LLVKDONJSA-N 0 0 402.838 4.023 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2OC(C)C)cc1OC ZINC000044693397 848593592 /nfs/dbraw/zinc/59/35/92/848593592.db2.gz FFURQNVBVZOKRP-CQSZACIVSA-N 0 0 402.447 4.280 20 5 HIBDRN O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000044959652 848617741 /nfs/dbraw/zinc/61/77/41/848617741.db2.gz NFNJHTHJBUJODT-UHFFFAOYSA-N 0 0 419.268 4.345 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(I)cc2C)cc1[N+](=O)[O-] ZINC000045154053 848640717 /nfs/dbraw/zinc/64/07/17/848640717.db2.gz QGSPMKGYXKDGSO-UHFFFAOYSA-N 0 0 402.213 4.130 20 5 HIBDRN COc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1[N+](=O)[O-] ZINC000045197080 848646348 /nfs/dbraw/zinc/64/63/48/848646348.db2.gz WGDHKCHOFLFYNV-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000045397388 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20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000045939788 848755957 /nfs/dbraw/zinc/75/59/57/848755957.db2.gz VKPMHDLCSQHIJL-LSDHHAIUSA-N 0 0 415.515 4.376 20 5 HIBDRN O=C(Nc1ccc(F)cc1Br)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000045990236 848767463 /nfs/dbraw/zinc/76/74/63/848767463.db2.gz AXZWRQZCVIRKLF-UHFFFAOYSA-N 0 0 408.227 4.349 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000046002469 848770715 /nfs/dbraw/zinc/77/07/15/848770715.db2.gz FBRILEZFQAPAAI-UHFFFAOYSA-N 0 0 404.426 4.288 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc2c(c1)CC(=O)N2 ZINC000046210767 848804027 /nfs/dbraw/zinc/80/40/27/848804027.db2.gz NVWNGJRFEAJQBE-CQSZACIVSA-N 0 0 417.421 4.373 20 5 HIBDRN Cc1cc(Br)ccc1NC(=O)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000046230721 848808127 /nfs/dbraw/zinc/80/81/27/848808127.db2.gz IPMLRMKGAVUSMY-UHFFFAOYSA-N 0 0 415.247 4.265 20 5 HIBDRN Cc1ccc(Br)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 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LFSXXVNIRULUNW-UHFFFAOYSA-N 0 0 404.417 4.304 20 5 HIBDRN Cc1csc(Sc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cc2)n1 ZINC000108738281 852876582 /nfs/dbraw/zinc/87/65/82/852876582.db2.gz XAFUPNJBPWBKQT-UHFFFAOYSA-N 0 0 404.448 4.485 20 5 HIBDRN O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc2nc(Cl)ccc2c1 ZINC000108765125 852878684 /nfs/dbraw/zinc/87/86/84/852878684.db2.gz JBHWJNXPDKPFDC-UHFFFAOYSA-N 0 0 410.773 4.203 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)Cc3ccncc3)cc2[N+](=O)[O-])n1 ZINC000108804168 852881254 /nfs/dbraw/zinc/88/12/54/852881254.db2.gz ZRLIZORPUONOHA-UHFFFAOYSA-N 0 0 400.485 4.178 20 5 HIBDRN C[C@H](Cc1ccccc1F)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000108855988 852886015 /nfs/dbraw/zinc/88/60/15/852886015.db2.gz FAUIEMZNWFDIEK-GFCCVEGCSA-N 0 0 413.371 4.302 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC2)c1 ZINC000108871094 852888008 /nfs/dbraw/zinc/88/80/08/852888008.db2.gz RFXOFRXMJHLYBU-UHFFFAOYSA-N 0 0 420.469 4.081 20 5 HIBDRN CC(C)COC(=O)Nc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000108992036 852905584 /nfs/dbraw/zinc/90/55/84/852905584.db2.gz GVUCRYMUGCYLIZ-UHFFFAOYSA-N 0 0 400.435 4.240 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1 ZINC000109219097 852937877 /nfs/dbraw/zinc/93/78/77/852937877.db2.gz JWLRBXZCLLHOKK-UHFFFAOYSA-N 0 0 419.894 4.138 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000109493861 852977156 /nfs/dbraw/zinc/97/71/56/852977156.db2.gz XOIYNWJPSGWMHO-NRFANRHFSA-N 0 0 412.392 4.352 20 5 HIBDRN Cc1ccccc1N(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1nc2ccccc2s1 ZINC000109703865 853001619 /nfs/dbraw/zinc/00/16/19/853001619.db2.gz XRFLFRTZCGICCB-UHFFFAOYSA-N 0 0 420.450 4.040 20 5 HIBDRN Cc1cc(I)ccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109851696 853023842 /nfs/dbraw/zinc/02/38/42/853023842.db2.gz YLERCSMVFKZCHA-UHFFFAOYSA-N 0 0 421.194 4.241 20 5 HIBDRN CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000110046147 853052487 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YDWSYBDYGKUIHA-UHFFFAOYSA-N 0 0 407.817 4.477 20 5 HIBDRN CC[C@@H](C)N(Cc1cc([N+](=O)[O-])ccc1OC(C)C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000112656943 853237778 /nfs/dbraw/zinc/23/77/78/853237778.db2.gz DEJPZMIPKFZZAW-MRXNPFEDSA-N 0 0 424.501 4.419 20 5 HIBDRN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000116012269 853278762 /nfs/dbraw/zinc/27/87/62/853278762.db2.gz YJTJSFPKMQECNA-INIZCTEOSA-N 0 0 414.874 4.401 20 5 HIBDRN Cc1ccc(-c2ncc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)s2)c(C)c1 ZINC000116172088 853288714 /nfs/dbraw/zinc/28/87/14/853288714.db2.gz TXIMDBKDFKNHPT-UHFFFAOYSA-N 0 0 422.510 4.298 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000116554051 853314051 /nfs/dbraw/zinc/31/40/51/853314051.db2.gz YGNBJPMZXXDSCO-UHFFFAOYSA-N 0 0 406.891 4.162 20 5 HIBDRN CSc1ccc(-c2csc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)n2)cc1 ZINC000116652015 853321907 /nfs/dbraw/zinc/32/19/07/853321907.db2.gz MQQAPQMGSOVLRW-UHFFFAOYSA-N 0 0 417.516 4.282 20 5 HIBDRN O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000116735790 853330099 /nfs/dbraw/zinc/33/00/99/853330099.db2.gz AFDXCLOCNGZTHS-UHFFFAOYSA-N 0 0 414.425 4.096 20 5 HIBDRN O=C(Nc1ccccc1OCCn1ccnc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437240693 862452171 /nfs/dbraw/zinc/45/21/71/862452171.db2.gz ZEGREJQMOJYSTA-UHFFFAOYSA-N 0 0 420.347 4.141 20 5 HIBDRN O=C(Nc1ccc(Sc2nncs2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000117635849 853363622 /nfs/dbraw/zinc/36/36/22/853363622.db2.gz XDOWZMYSABSWDH-UHFFFAOYSA-N 0 0 413.484 4.424 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000437241567 862456089 /nfs/dbraw/zinc/45/60/89/862456089.db2.gz SGMIBEFWFXVSOU-DIFFPNOSSA-N 0 0 412.339 4.355 20 5 HIBDRN O=[N+]([O-])c1cnc(Oc2ccc(I)cc2)c(Br)c1 ZINC000118720556 853368330 /nfs/dbraw/zinc/36/83/30/853368330.db2.gz BWLVHORMKZBPQM-UHFFFAOYSA-N 0 0 420.988 4.149 20 5 HIBDRN O=[N+]([O-])c1cnc(Oc2ccccc2I)c(Br)c1 ZINC000118720563 853368358 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20 5 HIBDRN CC[C@H](c1ccccc1)[C@@H]1CCCN1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000140760912 853451660 /nfs/dbraw/zinc/45/16/60/853451660.db2.gz SSJGGJKFPGWEEH-GGAORHGYSA-N 0 0 418.497 4.434 20 5 HIBDRN C[C@H](Cc1cccc(Br)c1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000140887344 853456274 /nfs/dbraw/zinc/45/62/74/853456274.db2.gz ZNHWTTXAZPYCKT-CYBMUJFWSA-N 0 0 406.280 4.130 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000141218874 853465325 /nfs/dbraw/zinc/46/53/25/853465325.db2.gz YXPWUCBUPWRMRB-LSDHHAIUSA-N 0 0 413.499 4.080 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Nc2ccccc2OC[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000141975657 853485206 /nfs/dbraw/zinc/48/52/06/853485206.db2.gz CREPFOKCCYISKM-SJORKVTESA-N 0 0 413.474 4.290 20 5 HIBDRN Cc1nn(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1[N+](=O)[O-] ZINC000143187213 853509545 /nfs/dbraw/zinc/50/95/45/853509545.db2.gz DPXHGBYRAWDEDD-UHFFFAOYSA-N 0 0 407.455 4.324 20 5 HIBDRN Cc1c(C[S@](C)=O)cccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437250254 862472267 /nfs/dbraw/zinc/47/22/67/862472267.db2.gz KMUXENDMAHNJOG-MHZLTWQESA-N 0 0 400.378 4.053 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC(Cc2ccccc2)CC1 ZINC000143666617 853518925 /nfs/dbraw/zinc/51/89/25/853518925.db2.gz DCYXBHQRDSLXOM-UHFFFAOYSA-N 0 0 405.454 4.003 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000143740269 853520842 /nfs/dbraw/zinc/52/08/42/853520842.db2.gz BTWZQSZIXAJTQL-RRMPHLOHSA-N 0 0 402.454 4.449 20 5 HIBDRN COc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c(OC)c1 ZINC000145230516 853547030 /nfs/dbraw/zinc/54/70/30/853547030.db2.gz IDHDQOYLGGKVJZ-UHFFFAOYSA-N 0 0 408.410 4.297 20 5 HIBDRN CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146675251 853574419 /nfs/dbraw/zinc/57/44/19/853574419.db2.gz FBMQEDZNNBJZJA-UHFFFAOYSA-N 0 0 408.785 4.088 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)c1 ZINC000147118923 853583048 /nfs/dbraw/zinc/58/30/48/853583048.db2.gz CCRXWDDMJNUOFE-IBGZPJMESA-N 0 0 410.401 4.293 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c1 ZINC000147376313 853587919 /nfs/dbraw/zinc/58/79/19/853587919.db2.gz GZVFBCAPTPMEJN-HNNXBMFYSA-N 0 0 407.426 4.068 20 5 HIBDRN Cc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1I ZINC000149096893 853617842 /nfs/dbraw/zinc/61/78/42/853617842.db2.gz VMMPECLBJHFHNK-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000149485838 853625682 /nfs/dbraw/zinc/62/56/82/853625682.db2.gz MFWCWFBFWHLMCM-INIZCTEOSA-N 0 0 419.865 4.165 20 5 HIBDRN O=C(Nc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1Br ZINC000159028376 853645006 /nfs/dbraw/zinc/64/50/06/853645006.db2.gz NDYICUUDHSFJQU-UHFFFAOYSA-N 0 0 400.026 4.372 20 5 HIBDRN O=C(Nc1ccc(I)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168465195 853655551 /nfs/dbraw/zinc/65/55/51/853655551.db2.gz MHXPWTPAKDQYBO-UHFFFAOYSA-N 0 0 402.575 4.105 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ZINC000302007000 854515548 /nfs/dbraw/zinc/51/55/48/854515548.db2.gz ANZCWTJHIOYBGC-UHFFFAOYSA-N 0 0 400.287 4.316 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCCOc3cc(Cl)ccc32)s1 ZINC000302023353 854518203 /nfs/dbraw/zinc/51/82/03/854518203.db2.gz OYOJIJPQMVCZGW-LLVKDONJSA-N 0 0 402.881 4.039 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)c(Br)c1 ZINC000302077627 854528000 /nfs/dbraw/zinc/52/80/00/854528000.db2.gz WVIIFXJPWKQOFU-UHFFFAOYSA-N 0 0 419.201 4.414 20 5 HIBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1ccccc1Sc1ccccc1 ZINC000302102923 854530956 /nfs/dbraw/zinc/53/09/56/854530956.db2.gz QQDLKVJADCHPJG-UHFFFAOYSA-N 0 0 415.496 4.006 20 5 HIBDRN CN(C)c1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)c2c[nH]c3ccccc32)cc1 ZINC000302150874 854538303 /nfs/dbraw/zinc/53/83/03/854538303.db2.gz KJNARVMXXIQFIQ-IBGZPJMESA-N 0 0 402.458 4.176 20 5 HIBDRN COc1ccc([C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000302157445 854538942 /nfs/dbraw/zinc/53/89/42/854538942.db2.gz 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O=C(c1ccc(F)cc1)N1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302240404 854556469 /nfs/dbraw/zinc/55/64/69/854556469.db2.gz NGCWGWIMPXEFHH-UHFFFAOYSA-N 0 0 412.248 4.393 20 5 HIBDRN Cn1cc([C@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000302342098 854562471 /nfs/dbraw/zinc/56/24/71/854562471.db2.gz BYSOUGXWEGEFBA-QGZVFWFLSA-N 0 0 405.227 4.431 20 5 HIBDRN CC[C@H](Nc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000302390592 854567632 /nfs/dbraw/zinc/56/76/32/854567632.db2.gz FTXPEGCFWRPOQM-AWEZNQCLSA-N 0 0 410.243 4.419 20 5 HIBDRN Cc1cc(N2CCC[C@H](c3nncn3C(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302628547 854593312 /nfs/dbraw/zinc/59/33/12/854593312.db2.gz BQYLEQZEOXZDDU-ZDUSSCGKSA-N 0 0 408.300 4.222 20 5 HIBDRN Cc1cc(N2CCN([C@@H](C)c3nccs3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302625836 854593602 /nfs/dbraw/zinc/59/36/02/854593602.db2.gz AXQBFPMCEMKMRC-LBPRGKRZSA-N 0 0 411.325 4.005 20 5 HIBDRN CC(C)c1ccc([C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000302648059 854597392 /nfs/dbraw/zinc/59/73/92/854597392.db2.gz YRXBZYYRSVKFCF-NRFANRHFSA-N 0 0 407.474 4.426 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(Br)cc2)cc1OC ZINC000302684992 854604182 /nfs/dbraw/zinc/60/41/82/854604182.db2.gz HUGAKOPUBWNOTJ-UHFFFAOYSA-N 0 0 423.263 4.037 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC000302691552 854605274 /nfs/dbraw/zinc/60/52/74/854605274.db2.gz YACCUZIIESWQKW-UHFFFAOYSA-N 0 0 412.364 4.293 20 5 HIBDRN O=c1[nH]cnc2cc(N[C@H]3CCN(c4ccc(Cl)cc4Cl)C3)c([N+](=O)[O-])cc12 ZINC000302762500 854625261 /nfs/dbraw/zinc/62/52/61/854625261.db2.gz KOGIWFGQQLJSMP-NSHDSACASA-N 0 0 420.256 4.241 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1N1CCN(Cc3csc(-c4ccccc4)n3)CC1)CCN2 ZINC000302823625 854646346 /nfs/dbraw/zinc/64/63/46/854646346.db2.gz FTACWMLQTIIQSF-UHFFFAOYSA-N 0 0 421.526 4.009 20 5 HIBDRN Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437321254 862588316 /nfs/dbraw/zinc/58/83/16/862588316.db2.gz WMLVWGKHPXCSLR-UHFFFAOYSA-N 0 0 423.391 4.007 20 5 HIBDRN Cc1sc(C(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000437323498 862590590 /nfs/dbraw/zinc/59/05/90/862590590.db2.gz BVYBWJFYGUUEDG-BFUOFWGJSA-N 0 0 404.488 4.020 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)[C@@H]3Oc4ccccc4O[C@H]3C)n2)cc1[N+](=O)[O-] ZINC000302921696 854680999 /nfs/dbraw/zinc/68/09/99/854680999.db2.gz OPKMZAWOOPMMHL-KPZWWZAWSA-N 0 0 411.439 4.194 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000302931434 854685023 /nfs/dbraw/zinc/68/50/23/854685023.db2.gz GRJFXSNTDWXNCQ-ZDUSSCGKSA-N 0 0 412.229 4.128 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCCC[C@@H]1c1ccccc1 ZINC000302987530 854711451 /nfs/dbraw/zinc/71/14/51/854711451.db2.gz RDZXNNWJVVNRMZ-LJQANCHMSA-N 0 0 423.469 4.427 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000302999566 854717347 /nfs/dbraw/zinc/71/73/47/854717347.db2.gz XYSXQDQCFWMQCR-HNNXBMFYSA-N 0 0 423.469 4.098 20 5 HIBDRN Cn1c2ccccc2nc1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000303006887 854720309 /nfs/dbraw/zinc/72/03/09/854720309.db2.gz IOTJXLYMAPUDOX-HXUWFJFHSA-N 0 0 401.426 4.393 20 5 HIBDRN CCOc1ccc(C(=O)NCCOc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000303030534 854730834 /nfs/dbraw/zinc/73/08/34/854730834.db2.gz NSDWSYPCHZFKMO-UHFFFAOYSA-N 0 0 406.438 4.469 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(Br)c(F)c1 ZINC000303033615 854732404 /nfs/dbraw/zinc/73/24/04/854732404.db2.gz XXRRDUNOBZKOBS-JTQLQIEISA-N 0 0 413.268 4.293 20 5 HIBDRN Cc1nn(CCC(=O)Nc2cccc(CSc3ccccn3)c2)c(C)c1[N+](=O)[O-] ZINC000303153929 854788440 /nfs/dbraw/zinc/78/84/40/854788440.db2.gz OBPVOYGJMVIMIR-UHFFFAOYSA-N 0 0 411.487 4.124 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(OCc4cccnc4)cc3)no2)cc1 ZINC000303320705 854870731 /nfs/dbraw/zinc/87/07/31/854870731.db2.gz AWDMYXUPSKVTHV-UHFFFAOYSA-N 0 0 404.382 4.198 20 5 HIBDRN O=C(NCCOc1ncccc1F)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000437341853 862615845 /nfs/dbraw/zinc/61/58/45/862615845.db2.gz CYPHXSVBNIFWPK-UHFFFAOYSA-N 0 0 413.430 4.089 20 5 HIBDRN O=C(Nc1nccs1)c1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000303406928 854911953 /nfs/dbraw/zinc/91/19/53/854911953.db2.gz TWTIIGNUTUQMOO-UHFFFAOYSA-N 0 0 402.819 4.209 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303427067 854928896 /nfs/dbraw/zinc/92/88/96/854928896.db2.gz DUZAOWYPYHPFQH-IAGOWNOFSA-N 0 0 419.403 4.066 20 5 HIBDRN CCOc1ccc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000303512805 855001672 /nfs/dbraw/zinc/00/16/72/855001672.db2.gz OWFYFQSBJGJNLA-DJJJIMSYSA-N 0 0 404.850 4.249 20 5 HIBDRN CCCCN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@@H](CC)c1ccccc1 ZINC000303525472 855013595 /nfs/dbraw/zinc/01/35/95/855013595.db2.gz DUXZBNKJQYJYBD-SFHVURJKSA-N 0 0 411.458 4.283 20 5 HIBDRN CCCCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H](CC)c1ccccc1 ZINC000303628946 855087182 /nfs/dbraw/zinc/08/71/82/855087182.db2.gz YGGBSSCFOVOLJB-GOSISDBHSA-N 0 0 418.515 4.392 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC000303648174 855103153 /nfs/dbraw/zinc/10/31/53/855103153.db2.gz SRTLRPJPVDHQQW-LJAQVGFWSA-N 0 0 410.451 4.164 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000437359721 862643219 /nfs/dbraw/zinc/64/32/19/862643219.db2.gz QSHQWKHMNHEQTJ-WMLDXEAASA-N 0 0 403.841 4.273 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000303710131 855145487 /nfs/dbraw/zinc/14/54/87/855145487.db2.gz PSDYREVKIVQNGT-PMERELPUSA-N 0 0 424.478 4.061 20 5 HIBDRN Cn1ccnc1[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000437364357 862652413 /nfs/dbraw/zinc/65/24/13/862652413.db2.gz KGSSATMIYRHZQA-MRXNPFEDSA-N 0 0 422.338 4.006 20 5 HIBDRN CC(C)(C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000437365819 862654863 /nfs/dbraw/zinc/65/48/63/862654863.db2.gz QBRWDSFMSQIJQW-CJNGLKHVSA-N 0 0 408.376 4.285 20 5 HIBDRN COc1ccc(CSCC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000303901250 855277642 /nfs/dbraw/zinc/27/76/42/855277642.db2.gz SRGXDHOIHXVDRE-WMLDXEAASA-N 0 0 418.490 4.380 20 5 HIBDRN Cc1nc(C(C)(C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)sc1C ZINC000303902715 855278468 /nfs/dbraw/zinc/27/84/68/855278468.db2.gz SWGRJGGRSROZIE-UHFFFAOYSA-N 0 0 402.501 4.457 20 5 HIBDRN Cc1cccc([C@@H]2CCCN2C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1C ZINC000303907208 855281795 /nfs/dbraw/zinc/28/17/95/855281795.db2.gz LYWURZJDPCPZTQ-IBGZPJMESA-N 0 0 423.469 4.263 20 5 HIBDRN CCOc1ccc(C(=O)NCc2ccccc2CN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000303927432 855296514 /nfs/dbraw/zinc/29/65/14/855296514.db2.gz PEIGORMILUWBHT-UHFFFAOYSA-N 0 0 423.469 4.149 20 5 HIBDRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)C1CC1 ZINC000303951484 855314247 /nfs/dbraw/zinc/31/42/47/855314247.db2.gz ZGOKVSWXPQHOPV-HXUWFJFHSA-N 0 0 405.498 4.421 20 5 HIBDRN C[C@H](NC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000303958214 855320530 /nfs/dbraw/zinc/32/05/30/855320530.db2.gz YHIFVCUYESANAZ-JTQLQIEISA-N 0 0 413.655 4.267 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@H](C)CO2)c1 ZINC000303965914 855326636 /nfs/dbraw/zinc/32/66/36/855326636.db2.gz QDMWKFADBJKATP-OPAMFIHVSA-N 0 0 409.486 4.388 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000304061726 855347078 /nfs/dbraw/zinc/34/70/78/855347078.db2.gz RFPDHZOJIMIYQO-QGZVFWFLSA-N 0 0 422.268 4.074 20 5 HIBDRN CCc1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc(C)n1 ZINC000304106201 855353863 /nfs/dbraw/zinc/35/38/63/855353863.db2.gz YRKDUYPMBNGGPL-UHFFFAOYSA-N 0 0 400.382 4.005 20 5 HIBDRN O=C(Nc1cc(I)ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000312376306 855372095 /nfs/dbraw/zinc/37/20/95/855372095.db2.gz JADTUJTYELWEKU-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN Cc1ccc(C(=O)Nc2cc(I)ccc2Cl)cc1[N+](=O)[O-] ZINC000314047840 855374853 /nfs/dbraw/zinc/37/48/53/855374853.db2.gz AXRMDTCMOGKUJP-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(F)cc1I)c1cccc([N+](=O)[O-])c1 ZINC000319622566 855385782 /nfs/dbraw/zinc/38/57/82/855385782.db2.gz NBOCAFAQTUEZKV-SECBINFHSA-N 0 0 414.174 4.081 20 5 HIBDRN COc1c(C(=O)Nc2cc(F)c(Br)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000323746977 855396829 /nfs/dbraw/zinc/39/68/29/855396829.db2.gz RJGWZKCJBYNVHQ-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN O=C(Nc1cc(I)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000383421325 855438843 /nfs/dbraw/zinc/43/88/43/855438843.db2.gz CMLVWHLPAMTCED-UHFFFAOYSA-N 0 0 402.575 4.105 20 5 HIBDRN O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000409510088 855515201 /nfs/dbraw/zinc/51/52/01/855515201.db2.gz AFVUXDUOGWUQRT-UHFFFAOYSA-N 0 0 419.397 4.168 20 5 HIBDRN Cc1cc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000409518041 855519772 /nfs/dbraw/zinc/51/97/72/855519772.db2.gz CFGDQOXKVGONNG-KRWDZBQOSA-N 0 0 419.485 4.016 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000409520614 855521157 /nfs/dbraw/zinc/52/11/57/855521157.db2.gz QTKYELBAQRHKOI-SNVBAGLBSA-N 0 0 413.293 4.036 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000409546443 855535679 /nfs/dbraw/zinc/53/56/79/855535679.db2.gz DPCBEFPXAPVTBQ-VPWXQRGCSA-N 0 0 400.500 4.360 20 5 HIBDRN CCC[C@@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000437383420 862699445 /nfs/dbraw/zinc/69/94/45/862699445.db2.gz KEHFDTLHUCKVQG-INIZCTEOSA-N 0 0 416.259 4.242 20 5 HIBDRN C[C@H]1CN(c2ccccc2NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000437384759 862700934 /nfs/dbraw/zinc/70/09/34/862700934.db2.gz MBMGGGDSWMNRTG-IRXDYDNUSA-N 0 0 424.501 4.405 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000409815705 855669073 /nfs/dbraw/zinc/66/90/73/855669073.db2.gz BDFJZXFETIGJRL-ZWKOTPCHSA-N 0 0 420.296 4.354 20 5 HIBDRN O=C(CCSCc1ccn(-c2ccc(F)cc2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000409851765 855687938 /nfs/dbraw/zinc/68/79/38/855687938.db2.gz WKESANILWAQWIA-UHFFFAOYSA-N 0 0 400.435 4.182 20 5 HIBDRN COc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Br)c1OC ZINC000409875207 855701048 /nfs/dbraw/zinc/70/10/48/855701048.db2.gz QSGGYNIYYXBXNS-UHFFFAOYSA-N 0 0 424.251 4.005 20 5 HIBDRN C[C@H](NC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12)c1ccccc1[N+](=O)[O-] ZINC000409901387 855713913 /nfs/dbraw/zinc/71/39/13/855713913.db2.gz NFMWYIBHPPRPIX-JTBRQZTESA-N 0 0 415.287 4.439 20 5 HIBDRN CCNc1ccc(C(=O)N(CCOC)Cc2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000409959924 855746584 /nfs/dbraw/zinc/74/65/84/855746584.db2.gz MSGFLWZJKBRCPZ-UHFFFAOYSA-N 0 0 409.845 4.108 20 5 HIBDRN Cc1nn(CCC(=O)N2C[C@H](C)C[C@H]2c2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000409970182 855752075 /nfs/dbraw/zinc/75/20/75/855752075.db2.gz ITERIIVYTDFKLZ-PXAZEXFGSA-N 0 0 424.423 4.427 20 5 HIBDRN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000409991878 855766415 /nfs/dbraw/zinc/76/64/15/855766415.db2.gz KFHCRFKZDKLHOR-UHFFFAOYSA-N 0 0 420.391 4.375 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437391313 862719782 /nfs/dbraw/zinc/71/97/82/862719782.db2.gz GQCPPNSGEOOHHQ-OAHLLOKOSA-N 0 0 410.474 4.320 20 5 HIBDRN O=C(CCn1ccc(-c2ccc(Br)cc2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000410034691 855789501 /nfs/dbraw/zinc/78/95/01/855789501.db2.gz AGLYEEIQFOBMAD-UHFFFAOYSA-N 0 0 415.247 4.250 20 5 HIBDRN Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000410039161 855792449 /nfs/dbraw/zinc/79/24/49/855792449.db2.gz RUERNXPUNWRIII-UTKZUKDTSA-N 0 0 409.486 4.002 20 5 HIBDRN CC[C@H](C)[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000410076304 855809869 /nfs/dbraw/zinc/80/98/69/855809869.db2.gz XLWHRCAIUYDFIA-VBKZILBWSA-N 0 0 418.457 4.174 20 5 HIBDRN COc1cc(OCC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000410220528 855867517 /nfs/dbraw/zinc/86/75/17/855867517.db2.gz SBUHPTZRIITCPL-UHFFFAOYSA-N 0 0 422.840 4.123 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)c1 ZINC000410225690 855869146 /nfs/dbraw/zinc/86/91/46/855869146.db2.gz ASDNSKRMJCYFKB-UHFFFAOYSA-N 0 0 424.375 4.306 20 5 HIBDRN COC(=O)c1cn(-c2cccc(NC(=O)c3cc4ccccc4c4cccnc34)c2)nn1 ZINC000410237209 855874890 /nfs/dbraw/zinc/87/48/90/855874890.db2.gz SDINXLRPLHCAMH-UHFFFAOYSA-N 0 0 423.432 4.008 20 5 HIBDRN CCCn1nccc1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000410264902 855889621 /nfs/dbraw/zinc/88/96/21/855889621.db2.gz HSWJFUSEOWOODI-UHFFFAOYSA-N 0 0 410.396 4.240 20 5 HIBDRN CCCn1nccc1C1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000410264206 855889716 /nfs/dbraw/zinc/88/97/16/855889716.db2.gz GNKRRBOJDIKZPR-OAHLLOKOSA-N 0 0 402.520 4.088 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2ccccc2SC)c([N+](=O)[O-])cc1OC(F)F ZINC000410289570 855906800 /nfs/dbraw/zinc/90/68/00/855906800.db2.gz PIXPJGUSGBGZGO-SNVBAGLBSA-N 0 0 412.414 4.418 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@H](c4ccccc4F)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000410297463 855913485 /nfs/dbraw/zinc/91/34/85/855913485.db2.gz ATJDHCLQSITUIF-IBGZPJMESA-N 0 0 422.460 4.225 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N(CC(F)(F)F)C2CCCC2)cc1[N+](=O)[O-] ZINC000410343483 855939215 /nfs/dbraw/zinc/93/92/15/855939215.db2.gz QZMAWSOSKBJJNZ-UHFFFAOYSA-N 0 0 400.806 4.052 20 5 HIBDRN C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H](c2ccccc2)CO1 ZINC000437397124 862738091 /nfs/dbraw/zinc/73/80/91/862738091.db2.gz YVRVVFPLJFLUBO-HOYKHHGWSA-N 0 0 412.489 4.143 20 5 HIBDRN COc1cc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000410358861 855948628 /nfs/dbraw/zinc/94/86/28/855948628.db2.gz IWKHCSJUIQZRNB-CQSZACIVSA-N 0 0 413.474 4.409 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000410415508 855984236 /nfs/dbraw/zinc/98/42/36/855984236.db2.gz UJUJKONUUNXGHG-UHFFFAOYSA-N 0 0 403.276 4.306 20 5 HIBDRN CC[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c(C)noc1C ZINC000425943246 856012646 /nfs/dbraw/zinc/01/26/46/856012646.db2.gz ITWGKXBEBDAWBV-AWEZNQCLSA-N 0 0 400.357 4.169 20 5 HIBDRN C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000426004831 856041933 /nfs/dbraw/zinc/04/19/33/856041933.db2.gz APVRVZBAWDHXBM-JHVJFLLYSA-N 0 0 405.458 4.080 20 5 HIBDRN CSc1ccc(F)cc1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426006327 856042931 /nfs/dbraw/zinc/04/29/31/856042931.db2.gz FPMVSIRLZQOJPQ-UHFFFAOYSA-N 0 0 417.384 4.474 20 5 HIBDRN O=C(N[C@@H](c1ccccc1F)C1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000426011811 856045833 /nfs/dbraw/zinc/04/58/33/856045833.db2.gz YTPDQVRDEAGCGH-HXUWFJFHSA-N 0 0 415.469 4.208 20 5 HIBDRN O=C(NCc1cc(F)ccc1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426011387 856046490 /nfs/dbraw/zinc/04/64/90/856046490.db2.gz VOYKATKZCKUZLM-UHFFFAOYSA-N 0 0 422.254 4.371 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1COc2ccc(Cl)cc21 ZINC000426040023 856065628 /nfs/dbraw/zinc/06/56/28/856065628.db2.gz RJHUGVOHNXPLMR-CQSZACIVSA-N 0 0 415.755 4.200 20 5 HIBDRN CCOc1cc(C)ccc1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426052486 856075382 /nfs/dbraw/zinc/07/53/82/856075382.db2.gz SWWQOMDJRWLJRY-UHFFFAOYSA-N 0 0 411.380 4.320 20 5 HIBDRN O=C(NCc1cc(Br)cs1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426055822 856076532 /nfs/dbraw/zinc/07/65/32/856076532.db2.gz VBVNWEMCQYRQBY-UHFFFAOYSA-N 0 0 410.293 4.293 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000426060946 856081108 /nfs/dbraw/zinc/08/11/08/856081108.db2.gz LWASXOWMWWITKL-HNNXBMFYSA-N 0 0 410.474 4.320 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000426067479 856083890 /nfs/dbraw/zinc/08/38/90/856083890.db2.gz RVNAKNHVFRZUMX-UHFFFAOYSA-N 0 0 417.878 4.418 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000426074986 856089597 /nfs/dbraw/zinc/08/95/97/856089597.db2.gz WBWGEYBUZBOOIX-UHFFFAOYSA-N 0 0 416.231 4.480 20 5 HIBDRN O=C(NCc1ccnc(OC2CCCC2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426237525 856195089 /nfs/dbraw/zinc/19/50/89/856195089.db2.gz LKGLTYVJMVZFKH-UHFFFAOYSA-N 0 0 410.474 4.185 20 5 HIBDRN CCCN(C[C@@H]1CCCCO1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426257765 856206185 /nfs/dbraw/zinc/20/61/85/856206185.db2.gz QYSUFMSNKUXGKE-INIZCTEOSA-N 0 0 403.401 4.104 20 5 HIBDRN CCCO[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000426262027 856207688 /nfs/dbraw/zinc/20/76/88/856207688.db2.gz CEAWMAXOGMEYRU-INIZCTEOSA-N 0 0 403.401 4.104 20 5 HIBDRN CC(C)(C)OC1CC(CCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426263662 856208748 /nfs/dbraw/zinc/20/87/48/856208748.db2.gz AIWYRBSLLHOZQJ-UHFFFAOYSA-N 0 0 417.428 4.397 20 5 HIBDRN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426265325 856210069 /nfs/dbraw/zinc/21/00/69/856210069.db2.gz UJAHXYPPKNZAEG-ZANVPECISA-N 0 0 413.318 4.486 20 5 HIBDRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426265323 856210419 /nfs/dbraw/zinc/21/04/19/856210419.db2.gz UJAHXYPPKNZAEG-RNCFNFMXSA-N 0 0 413.318 4.486 20 5 HIBDRN CCOc1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] ZINC000426274707 856214491 /nfs/dbraw/zinc/21/44/91/856214491.db2.gz AZMYKTAXLJHILN-UHFFFAOYSA-N 0 0 418.862 4.342 20 5 HIBDRN CCO[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000426277997 856216671 /nfs/dbraw/zinc/21/66/71/856216671.db2.gz UBCSCYWQADXXQW-QGZVFWFLSA-N 0 0 411.380 4.191 20 5 HIBDRN Cc1cccc2nc(CNC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cn21 ZINC000426300384 856230720 /nfs/dbraw/zinc/23/07/20/856230720.db2.gz FHRBWUFENCIDPF-UHFFFAOYSA-N 0 0 416.437 4.060 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Cl)cc1Nc1ccc(F)cc1 ZINC000426376884 856266131 /nfs/dbraw/zinc/26/61/31/856266131.db2.gz AHHPQPKXLWQWGF-UHFFFAOYSA-N 0 0 403.801 4.275 20 5 HIBDRN C[C@H](CC(=O)OC(C)(C)C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426450083 856296849 /nfs/dbraw/zinc/29/68/49/856296849.db2.gz WWFCMJOAAARORB-OAHLLOKOSA-N 0 0 414.458 4.024 20 5 HIBDRN CC(C)(c1nc(C2(NC(=O)c3ccccc3)CCC2)no1)c1ccccc1[N+](=O)[O-] ZINC000426551322 856344221 /nfs/dbraw/zinc/34/42/21/856344221.db2.gz ZAHRNYLEGUZUQS-UHFFFAOYSA-N 0 0 406.442 4.113 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+]CC3(CC(=O)[O-])CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000426683008 856410759 /nfs/dbraw/zinc/41/07/59/856410759.db2.gz NYMGAEMUXKUXBA-UHFFFAOYSA-N 0 0 402.447 4.378 20 5 HIBDRN O=C([O-])CCCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000426694352 856416335 /nfs/dbraw/zinc/41/63/35/856416335.db2.gz BZVJHVWHXYHBSJ-UHFFFAOYSA-N 0 0 411.252 4.352 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1SC ZINC000426708369 856424810 /nfs/dbraw/zinc/42/48/10/856424810.db2.gz JBFNPBRWDJANOW-OAHLLOKOSA-N 0 0 401.488 4.042 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](Nc2ccccc2)C1 ZINC000426713225 856428636 /nfs/dbraw/zinc/42/86/36/856428636.db2.gz CVSUOVGRCGGLIK-AWEZNQCLSA-N 0 0 404.264 4.074 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000426713226 856428780 /nfs/dbraw/zinc/42/87/80/856428780.db2.gz CVSUOVGRCGGLIK-CQSZACIVSA-N 0 0 404.264 4.074 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000426725579 856437014 /nfs/dbraw/zinc/43/70/14/856437014.db2.gz CFTDHASTUJNHCV-QGZVFWFLSA-N 0 0 408.241 4.168 20 5 HIBDRN COC(=O)c1[nH]c(C)c(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1C ZINC000426745638 856450198 /nfs/dbraw/zinc/45/01/98/856450198.db2.gz HEOGAGGCCVBYII-UHFFFAOYSA-N 0 0 409.398 4.371 20 5 HIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000426781253 856474685 /nfs/dbraw/zinc/47/46/85/856474685.db2.gz ZQLUQJLPZNPCEK-HNNXBMFYSA-N 0 0 402.756 4.053 20 5 HIBDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426783197 856475975 /nfs/dbraw/zinc/47/59/75/856475975.db2.gz JWQHXMPRALQKBZ-JOCHJYFZSA-N 0 0 422.437 4.098 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000437426969 862801748 /nfs/dbraw/zinc/80/17/48/862801748.db2.gz LMBKWOUQGXGGNV-MQMHXKEQSA-N 0 0 422.359 4.061 20 5 HIBDRN Cc1cc(Oc2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000426797533 856484354 /nfs/dbraw/zinc/48/43/54/856484354.db2.gz FTRBPPXEZYFEBC-UHFFFAOYSA-N 0 0 417.219 4.433 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000426798787 856486000 /nfs/dbraw/zinc/48/60/00/856486000.db2.gz JPOIMFOQCQILNW-UHFFFAOYSA-N 0 0 413.405 4.050 20 5 HIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000426806669 856489326 /nfs/dbraw/zinc/48/93/26/856489326.db2.gz KTMWOJQHHTYASU-NRFANRHFSA-N 0 0 412.486 4.339 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000426840334 856508179 /nfs/dbraw/zinc/50/81/79/856508179.db2.gz MVTHQZONGBCGIS-HNNXBMFYSA-N 0 0 407.426 4.068 20 5 HIBDRN COC1CCC(CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000426845488 856510028 /nfs/dbraw/zinc/51/00/28/856510028.db2.gz MHRFGFDJSKOFST-GIOYIUAESA-N 0 0 403.523 4.012 20 5 HIBDRN CNC(=O)c1ccc(N[C@@H](COc2ccccc2F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000426892794 856529348 /nfs/dbraw/zinc/52/93/48/856529348.db2.gz AWOUMEDSDPCXMM-IBGZPJMESA-N 0 0 409.417 4.326 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000426965550 856567052 /nfs/dbraw/zinc/56/70/52/856567052.db2.gz VAJCZSQMFBBUCR-NRFANRHFSA-N 0 0 407.426 4.290 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000426966547 856568106 /nfs/dbraw/zinc/56/81/06/856568106.db2.gz VNTGZPCIRNBCSC-JOCHJYFZSA-N 0 0 421.453 4.316 20 5 HIBDRN O=C(NCc1nc(C2CC2)cs1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427053855 856613104 /nfs/dbraw/zinc/61/31/04/856613104.db2.gz VEARDZGAVBDIGT-UHFFFAOYSA-N 0 0 409.467 4.438 20 5 HIBDRN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427059615 856615124 /nfs/dbraw/zinc/61/51/24/856615124.db2.gz BJJXDTZZZBEUPG-AVRDEDQJSA-N 0 0 412.486 4.235 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)n1 ZINC000427118020 856649115 /nfs/dbraw/zinc/64/91/15/856649115.db2.gz RXNTWRZSIHORQW-UHFFFAOYSA-N 0 0 416.384 4.256 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)n1 ZINC000427172706 856689432 /nfs/dbraw/zinc/68/94/32/856689432.db2.gz SDKVWYUVMQCCSP-UHFFFAOYSA-N 0 0 411.365 4.206 20 5 HIBDRN CC1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000427210175 856715109 /nfs/dbraw/zinc/71/51/09/856715109.db2.gz HAJKFBZJCAOAKE-UHFFFAOYSA-N 0 0 404.470 4.296 20 5 HIBDRN O=C(Nc1ccc(-c2ccco2)cc1F)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000427229008 856724625 /nfs/dbraw/zinc/72/46/25/856724625.db2.gz CSLUDMJQXGOBPT-UHFFFAOYSA-N 0 0 423.400 4.124 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1Cc1cccc2ccccc21 ZINC000427261508 856741267 /nfs/dbraw/zinc/74/12/67/856741267.db2.gz YFFBVRQMIBEUIN-UHFFFAOYSA-N 0 0 402.410 4.254 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1csc(C)n1)c1ccc(F)cc1 ZINC000427265710 856743198 /nfs/dbraw/zinc/74/31/98/856743198.db2.gz DPHYJHSFSZECGW-UHFFFAOYSA-N 0 0 401.419 4.354 20 5 HIBDRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000427286617 856752404 /nfs/dbraw/zinc/75/24/04/856752404.db2.gz BBWAFRAXWNXJBW-AAZYKMFZSA-N 0 0 415.515 4.148 20 5 HIBDRN CCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2OC)cnn1-c1ccccc1Cl ZINC000427334479 856778291 /nfs/dbraw/zinc/77/82/91/856778291.db2.gz ALWDMIXZSKKEMK-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000427358531 856792520 /nfs/dbraw/zinc/79/25/20/856792520.db2.gz IPWLXAOEQFZBAR-POEINMCQSA-N 0 0 416.499 4.197 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000427367790 856797761 /nfs/dbraw/zinc/79/77/61/856797761.db2.gz UXTLZBLRUPDGFE-GOSISDBHSA-N 0 0 422.441 4.411 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2sc(C)c(C)c2C(=O)c2ccc(C)cc2)n1 ZINC000427380027 856801979 /nfs/dbraw/zinc/80/19/79/856801979.db2.gz QHPXKTVUFGSPCC-UHFFFAOYSA-N 0 0 412.471 4.281 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCCCC2)n1 ZINC000427389632 856803171 /nfs/dbraw/zinc/80/31/71/856803171.db2.gz ICUSZOUTMLJAFP-UHFFFAOYSA-N 0 0 410.396 4.419 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)n1 ZINC000427391676 856804066 /nfs/dbraw/zinc/80/40/66/856804066.db2.gz PBPAGBHNCVTMRR-ZDUSSCGKSA-N 0 0 424.301 4.206 20 5 HIBDRN CCOc1cc(CNc2cccc(Oc3ccnc(C(=O)NC)c3)c2)ccc1[N+](=O)[O-] ZINC000427422660 856813911 /nfs/dbraw/zinc/81/39/11/856813911.db2.gz WMLSGHBVBWNBHI-UHFFFAOYSA-N 0 0 422.441 4.153 20 5 HIBDRN CCc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cnn1CCC(C)C ZINC000427423572 856814507 /nfs/dbraw/zinc/81/45/07/856814507.db2.gz FLFIASVHQBMKFV-ZDUSSCGKSA-N 0 0 408.886 4.459 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)cc1[N+](=O)[O-] ZINC000427428235 856815688 /nfs/dbraw/zinc/81/56/88/856815688.db2.gz MUUZCXBEXYHLDQ-NRFANRHFSA-N 0 0 415.449 4.312 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427465406 856832743 /nfs/dbraw/zinc/83/27/43/856832743.db2.gz HLAOGNLJXLIPGS-GOSISDBHSA-N 0 0 400.797 4.039 20 5 HIBDRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)o1 ZINC000437483836 862842479 /nfs/dbraw/zinc/84/24/79/862842479.db2.gz SOBAMLPQECBSLL-RDTXWAMCSA-N 0 0 402.447 4.137 20 5 HIBDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000427576589 856873791 /nfs/dbraw/zinc/87/37/91/856873791.db2.gz DYFCHNHIDHLFMZ-AWEZNQCLSA-N 0 0 413.499 4.225 20 5 HIBDRN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000427595489 856882184 /nfs/dbraw/zinc/88/21/84/856882184.db2.gz DOOKWTKQKHETLC-IBGZPJMESA-N 0 0 413.865 4.111 20 5 HIBDRN O=C(CCNC(=O)c1ccc2ccccc2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427604738 856885080 /nfs/dbraw/zinc/88/50/80/856885080.db2.gz RHDLPPRFOHTMMG-UHFFFAOYSA-N 0 0 417.465 4.059 20 5 HIBDRN COCCN(Cc1ccc(Br)s1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000427735628 856929764 /nfs/dbraw/zinc/92/97/64/856929764.db2.gz KAGKNKIEZJJJDZ-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000427736014 856930036 /nfs/dbraw/zinc/93/00/36/856930036.db2.gz UTSUPHCGRNTLJA-UHFFFAOYSA-N 0 0 404.463 4.034 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000427778893 856949992 /nfs/dbraw/zinc/94/99/92/856949992.db2.gz KHCFLCCQTWINSQ-UHFFFAOYSA-N 0 0 400.341 4.111 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000427780087 856951897 /nfs/dbraw/zinc/95/18/97/856951897.db2.gz GAQMKNVRNCDZDZ-UHFFFAOYSA-N 0 0 418.368 4.106 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCc2cc[nH]c(=O)c2C1 ZINC000427806970 856963619 /nfs/dbraw/zinc/96/36/19/856963619.db2.gz SLIQYEYBMXHJQH-UHFFFAOYSA-N 0 0 413.499 4.176 20 5 HIBDRN C[C@@H]1[C@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000427822448 856970867 /nfs/dbraw/zinc/97/08/67/856970867.db2.gz QSUCIONHLDGBOB-OCCSQVGLSA-N 0 0 406.891 4.242 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000427824686 856971200 /nfs/dbraw/zinc/97/12/00/856971200.db2.gz FYHDZWFCOYJEAO-INIZCTEOSA-N 0 0 405.248 4.343 20 5 HIBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCCCO ZINC000427838353 856976606 /nfs/dbraw/zinc/97/66/06/856976606.db2.gz BOIQWZJSIYKCHC-SSZFMOIBSA-N 0 0 411.483 4.024 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000427877544 856991454 /nfs/dbraw/zinc/99/14/54/856991454.db2.gz XWVNVTZHCZCZOA-UHFFFAOYSA-N 0 0 423.391 4.166 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(-c2nccs2)cc1 ZINC000427905816 857001706 /nfs/dbraw/zinc/00/17/06/857001706.db2.gz YGAZCILPKWZCLX-UHFFFAOYSA-N 0 0 406.423 4.284 20 5 HIBDRN CCc1ncc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cn1 ZINC000437510489 862859970 /nfs/dbraw/zinc/85/99/70/862859970.db2.gz ATDCGYPYPJXYPC-UHFFFAOYSA-N 0 0 401.473 4.116 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCS[C@H](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000427921271 857008482 /nfs/dbraw/zinc/00/84/82/857008482.db2.gz FDEUECJXLSCHGI-HUUCEWRRSA-N 0 0 400.504 4.131 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc2oc(C3CC3)nc2c1 ZINC000427925586 857009998 /nfs/dbraw/zinc/00/99/98/857009998.db2.gz TUZIKSPWLKEPDG-UHFFFAOYSA-N 0 0 404.382 4.179 20 5 HIBDRN Cc1cccc2c1OC[C@H](NC(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)C2 ZINC000427968506 857027414 /nfs/dbraw/zinc/02/74/14/857027414.db2.gz GHNQKTBTGKBFFI-MRXNPFEDSA-N 0 0 420.415 4.001 20 5 HIBDRN Cc1cccc2c1OC[C@H](NC(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)C2 ZINC000427980082 857030845 /nfs/dbraw/zinc/03/08/45/857030845.db2.gz RRIAWCNNWMELGH-OAHLLOKOSA-N 0 0 420.415 4.001 20 5 HIBDRN Cc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1C(=O)N1CCCCC1 ZINC000428011772 857041598 /nfs/dbraw/zinc/04/15/98/857041598.db2.gz QUAQCYDFDUCZCL-UHFFFAOYSA-N 0 0 406.442 4.263 20 5 HIBDRN CCC(C)(C)CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000428241744 857124280 /nfs/dbraw/zinc/12/42/80/857124280.db2.gz UKDNBRNFWNMGBJ-UHFFFAOYSA-N 0 0 401.429 4.382 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)c1 ZINC000437543521 862875768 /nfs/dbraw/zinc/87/57/68/862875768.db2.gz FYEYLFJQUSPXKC-UHFFFAOYSA-N 0 0 415.409 4.308 20 5 HIBDRN CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000428304861 857146800 /nfs/dbraw/zinc/14/68/00/857146800.db2.gz XUKVBKNUWGGDQA-HOTGVXAUSA-N 0 0 406.891 4.289 20 5 HIBDRN Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000428304051 857147118 /nfs/dbraw/zinc/14/71/18/857147118.db2.gz VVLOKJQZMOMXKT-UHFFFAOYSA-N 0 0 419.363 4.065 20 5 HIBDRN COC(=O)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C)c(C)c1 ZINC000428398937 857190721 /nfs/dbraw/zinc/19/07/21/857190721.db2.gz GNGRTHBMXUQWBR-IBGZPJMESA-N 0 0 411.483 4.339 20 5 HIBDRN O=C(Nc1ccc(OC2CCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000437553797 862882618 /nfs/dbraw/zinc/88/26/18/862882618.db2.gz FIGHQLFNSCTNAI-UHFFFAOYSA-N 0 0 403.822 4.147 20 5 HIBDRN CCOc1cc(NC(=O)c2c(C)onc2-c2ccncc2)c([N+](=O)[O-])cc1OCC ZINC000428498429 857227157 /nfs/dbraw/zinc/22/71/57/857227157.db2.gz KHMWEHMRVYUMBB-UHFFFAOYSA-N 0 0 412.402 4.003 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC[C@@H]1O ZINC000428672703 857293856 /nfs/dbraw/zinc/29/38/56/857293856.db2.gz CVMNOAFMGVONRV-SJCJKPOMSA-N 0 0 406.891 4.242 20 5 HIBDRN C[C@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC[C@H]1O ZINC000428669284 857294034 /nfs/dbraw/zinc/29/40/34/857294034.db2.gz PLWMOVOQFODROO-BLLLJJGKSA-N 0 0 406.891 4.242 20 5 HIBDRN Cc1noc(C[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c2ccccc2)n1 ZINC000428676542 857295123 /nfs/dbraw/zinc/29/51/23/857295123.db2.gz PIXDPTSDUOCQCN-SFHVURJKSA-N 0 0 401.426 4.744 20 5 HIBDRN C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1ccc(Cl)cc1 ZINC000428676192 857295142 /nfs/dbraw/zinc/29/51/42/857295142.db2.gz BHSJQQSVHKRQSC-AWEZNQCLSA-N 0 0 403.866 4.364 20 5 HIBDRN O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000428699057 857301463 /nfs/dbraw/zinc/30/14/63/857301463.db2.gz GZKMDTVKAQQVFN-QUCCMNQESA-N 0 0 421.856 4.283 20 5 HIBDRN CC[C@@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC000428706167 857304606 /nfs/dbraw/zinc/30/46/06/857304606.db2.gz BKNUPWUFONEQCW-LJQANCHMSA-N 0 0 406.891 4.386 20 5 HIBDRN Cc1sc(NC(=O)c2cc([N+](=O)[O-])cnc2N)nc1-c1cccc2ccccc21 ZINC000428748840 857317695 /nfs/dbraw/zinc/31/76/95/857317695.db2.gz ATAAXSXZJMUBEZ-UHFFFAOYSA-N 0 0 405.439 4.409 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000428769214 857327402 /nfs/dbraw/zinc/32/74/02/857327402.db2.gz CFDRHMBALKVPQK-ACJLOTCBSA-N 0 0 423.391 4.014 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000428884695 857388804 /nfs/dbraw/zinc/38/88/04/857388804.db2.gz HWZOKOPGCIVUNT-IAGOWNOFSA-N 0 0 412.490 4.179 20 5 HIBDRN O=C(NC[C@@H](CO)c1ccccc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000428908949 857407276 /nfs/dbraw/zinc/40/72/76/857407276.db2.gz TYNRJCVUEVAVPP-KRWDZBQOSA-N 0 0 407.426 4.285 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000429163625 857537183 /nfs/dbraw/zinc/53/71/83/857537183.db2.gz AOUDXZKXZYBIGX-UHFFFAOYSA-N 0 0 410.474 4.478 20 5 HIBDRN CCCOc1cc(NC(=O)NCc2ccncc2C)c([N+](=O)[O-])cc1OCCC ZINC000429265139 857582138 /nfs/dbraw/zinc/58/21/38/857582138.db2.gz OXYNEHDKXKJBMX-UHFFFAOYSA-N 0 0 402.451 4.198 20 5 HIBDRN CCOC(=O)c1ccc2c(c1)nc(CNC(C)(C)c1ccccc1[N+](=O)[O-])n2CC ZINC000429269136 857583963 /nfs/dbraw/zinc/58/39/63/857583963.db2.gz UTCULMPCBFPQFG-UHFFFAOYSA-N 0 0 410.474 4.166 20 5 HIBDRN CSC[C@H]1CCCN([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000429286583 857591399 /nfs/dbraw/zinc/59/13/99/857591399.db2.gz SDKRPYJRCNWXIY-KGLIPLIRSA-N 0 0 420.560 4.120 20 5 HIBDRN COC[C@H](C)Nc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000437616169 862931828 /nfs/dbraw/zinc/93/18/28/862931828.db2.gz ROSQUYDHEANARA-KRWDZBQOSA-N 0 0 415.493 4.240 20 5 HIBDRN Cc1ccoc1CN(C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000429388185 857636674 /nfs/dbraw/zinc/63/66/74/857636674.db2.gz QXDOCVROSJDYJR-ZDUSSCGKSA-N 0 0 400.460 4.079 20 5 HIBDRN Cc1noc(C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c2ccccc2)n1 ZINC000429400790 857644003 /nfs/dbraw/zinc/64/40/03/857644003.db2.gz ABBQOPUIOSMTAV-HXUWFJFHSA-N 0 0 423.473 4.190 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000429753335 857872406 /nfs/dbraw/zinc/87/24/06/857872406.db2.gz XANIFVMHXPUOHE-KNQAVFIVSA-N 0 0 415.465 4.246 20 5 HIBDRN COc1ccc(-c2nnc(CNc3cc(Br)cc([N+](=O)[O-])c3C)o2)cc1 ZINC000429787892 857884701 /nfs/dbraw/zinc/88/47/01/857884701.db2.gz IGQJJOYKVUXUMN-UHFFFAOYSA-N 0 0 419.235 4.336 20 5 HIBDRN COc1ccccc1NC(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000429789072 857885094 /nfs/dbraw/zinc/88/50/94/857885094.db2.gz BWHIPMMJXILKMT-UHFFFAOYSA-N 0 0 407.426 4.476 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1c2c(ccc1Cl)CC(C)(C)O2 ZINC000429799157 857889321 /nfs/dbraw/zinc/88/93/21/857889321.db2.gz MYADRXHFAYXHIY-UHFFFAOYSA-N 0 0 405.838 4.021 20 5 HIBDRN COc1cccc(C2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000429800567 857889618 /nfs/dbraw/zinc/88/96/18/857889618.db2.gz RZKTVGHMYWREBD-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN O=C(NCCCCOCc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429803999 857890646 /nfs/dbraw/zinc/89/06/46/857890646.db2.gz BOSCCMBBZDRZIP-UHFFFAOYSA-N 0 0 407.264 4.084 20 5 HIBDRN COC(=O)c1cc2cc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])ccc2o1 ZINC000429820921 857897218 /nfs/dbraw/zinc/89/72/18/857897218.db2.gz COUKFVDMBNREJU-UHFFFAOYSA-N 0 0 419.187 4.142 20 5 HIBDRN COc1ccc(C(C)(C)CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000429823348 857898188 /nfs/dbraw/zinc/89/81/88/857898188.db2.gz WJNBTLYKZWHHOZ-UHFFFAOYSA-N 0 0 407.264 4.074 20 5 HIBDRN COc1ccc(CN(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000429829444 857900494 /nfs/dbraw/zinc/90/04/94/857900494.db2.gz QBMPGTLHXFRVBM-UHFFFAOYSA-N 0 0 408.401 4.141 20 5 HIBDRN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000429835873 857902929 /nfs/dbraw/zinc/90/29/29/857902929.db2.gz CWMBBSHBKCJRKL-HNNXBMFYSA-N 0 0 419.311 4.338 20 5 HIBDRN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429862457 857916384 /nfs/dbraw/zinc/91/63/84/857916384.db2.gz AUBDTFNUBZVJAU-CYBMUJFWSA-N 0 0 411.252 4.463 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429869140 857920637 /nfs/dbraw/zinc/92/06/37/857920637.db2.gz GTZHUJAWBCNMBK-KDOFPFPSSA-N 0 0 419.275 4.255 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1CCOc2ccc(Br)cc21)c1ccccc1[N+](=O)[O-] ZINC000429880748 857925035 /nfs/dbraw/zinc/92/50/35/857925035.db2.gz AWPNFURJTWRXKE-OAHLLOKOSA-N 0 0 419.275 4.275 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429923043 857949859 /nfs/dbraw/zinc/94/98/59/857949859.db2.gz LXHRTINMDXEYIE-UHFFFAOYSA-N 0 0 413.611 4.034 20 5 HIBDRN O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429926006 857951052 /nfs/dbraw/zinc/95/10/52/857951052.db2.gz LUHIZXPEXXIXCO-CYBMUJFWSA-N 0 0 411.252 4.463 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n(-c2ccc(F)cc2)n1 ZINC000429931410 857954924 /nfs/dbraw/zinc/95/49/24/857954924.db2.gz XXQXZWZSWGDQCA-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN Cc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)nn1-c1ccc(Br)cc1 ZINC000429955378 857967152 /nfs/dbraw/zinc/96/71/52/857967152.db2.gz ZQGTVFOGDCYQQO-UHFFFAOYSA-N 0 0 415.247 4.128 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000429959202 857969582 /nfs/dbraw/zinc/96/95/82/857969582.db2.gz CYOVCFXFJPVXNW-KRWDZBQOSA-N 0 0 407.264 4.493 20 5 HIBDRN O=C(NCCCCOc1ccc(F)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429958711 857969914 /nfs/dbraw/zinc/96/99/14/857969914.db2.gz APOSOAZWEVSYSS-UHFFFAOYSA-N 0 0 411.227 4.085 20 5 HIBDRN O=C(c1cn(-c2ccc(Cl)c(Cl)c2)cn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000430092126 858028407 /nfs/dbraw/zinc/02/84/07/858028407.db2.gz XAOSPESZEMSYJM-UHFFFAOYSA-N 0 0 403.225 4.290 20 5 HIBDRN CS(=O)(=O)CC[C@H]1CCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000430107300 858034190 /nfs/dbraw/zinc/03/41/90/858034190.db2.gz WNAZOOQSXDGZBU-OAHLLOKOSA-N 0 0 408.545 4.113 20 5 HIBDRN Cc1cc(OCC(=O)Nc2c(-c3ccccc3)nc3ccccn32)ccc1[N+](=O)[O-] ZINC000430112104 858037063 /nfs/dbraw/zinc/03/70/63/858037063.db2.gz BJCUIQBOHBBCEV-UHFFFAOYSA-N 0 0 402.410 4.235 20 5 HIBDRN COc1ccc(C)cc1-c1csc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000430114761 858037861 /nfs/dbraw/zinc/03/78/61/858037861.db2.gz TUEPNARGANSTHM-UHFFFAOYSA-N 0 0 413.455 4.361 20 5 HIBDRN CCC(CC)N(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CCCc2cccnc21 ZINC000430126691 858043357 /nfs/dbraw/zinc/04/33/57/858043357.db2.gz VSLIDHMJFDHIEC-LJQANCHMSA-N 0 0 413.522 4.288 20 5 HIBDRN COC(=O)c1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000430147805 858052939 /nfs/dbraw/zinc/05/29/39/858052939.db2.gz PPQNWNGQLULIBV-UHFFFAOYSA-N 0 0 407.264 4.169 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430195740 858076280 /nfs/dbraw/zinc/07/62/80/858076280.db2.gz JWAUERFPXHLPBF-UHFFFAOYSA-N 0 0 412.273 4.371 20 5 HIBDRN COC(=O)[C@@](C)(NCc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)c(Cl)c1 ZINC000430206490 858080983 /nfs/dbraw/zinc/08/09/83/858080983.db2.gz OLPZNMPTADTNMY-SFHVURJKSA-N 0 0 413.257 4.088 20 5 HIBDRN COc1ccccc1-c1nc(C2CCN(Cc3ccc([N+](=O)[O-])cc3OC)CC2)no1 ZINC000430236484 858092024 /nfs/dbraw/zinc/09/20/24/858092024.db2.gz BHSQIVUVUQVLTH-UHFFFAOYSA-N 0 0 424.457 4.042 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000430239659 858093380 /nfs/dbraw/zinc/09/33/80/858093380.db2.gz KYBDNSXYXPWMGV-OAHLLOKOSA-N 0 0 404.772 4.099 20 5 HIBDRN Cc1c(NC(=O)C(=O)Nc2cccc(C(C)C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000430324855 858122145 /nfs/dbraw/zinc/12/21/45/858122145.db2.gz VSADSLVGDXUMBD-UHFFFAOYSA-N 0 0 420.263 4.366 20 5 HIBDRN COc1cccc(NC2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)c1 ZINC000437653353 862987659 /nfs/dbraw/zinc/98/76/59/862987659.db2.gz SNXJIYYHMJYGQU-UHFFFAOYSA-N 0 0 423.391 4.339 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(c4ccncc4)CC3)cc2[N+](=O)[O-])C1 ZINC000430414282 858150170 /nfs/dbraw/zinc/15/01/70/858150170.db2.gz KCPIQVDSSXTYST-ROUUACIJSA-N 0 0 422.529 4.492 20 5 HIBDRN CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000430420076 858152054 /nfs/dbraw/zinc/15/20/54/858152054.db2.gz AHGVACVAJSNWGA-HZPDHXFCSA-N 0 0 415.660 4.285 20 5 HIBDRN C[C@H]1CC[C@@H](N(C)C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000430472376 858184595 /nfs/dbraw/zinc/18/45/95/858184595.db2.gz MESSZFUQWUEBCU-DOTOQJQBSA-N 0 0 409.486 4.152 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1[N+](=O)[O-] ZINC000430545935 858213818 /nfs/dbraw/zinc/21/38/18/858213818.db2.gz WWBVOWXYAQWFSM-UHFFFAOYSA-N 0 0 413.455 4.494 20 5 HIBDRN CC(C)(NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430562155 858217934 /nfs/dbraw/zinc/21/79/34/858217934.db2.gz CPZWGTNNHURODD-UHFFFAOYSA-N 0 0 415.534 4.201 20 5 HIBDRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000430560215 858218206 /nfs/dbraw/zinc/21/82/06/858218206.db2.gz GGQOGAXUIBVXFP-OAHLLOKOSA-N 0 0 415.515 4.015 20 5 HIBDRN Cc1cc(OCC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000430570181 858223116 /nfs/dbraw/zinc/22/31/16/858223116.db2.gz BIEVHJFEXABGTM-LJQANCHMSA-N 0 0 422.441 4.086 20 5 HIBDRN CC[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Oc1ccccc1F ZINC000430589851 858230275 /nfs/dbraw/zinc/23/02/75/858230275.db2.gz FUPPYEZBPPXKNI-GFCCVEGCSA-N 0 0 411.227 4.084 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000430617542 858237924 /nfs/dbraw/zinc/23/79/24/858237924.db2.gz NJQVECQNDZPABR-SNVBAGLBSA-N 0 0 413.655 4.208 20 5 HIBDRN Cc1cc(OCC(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000430833105 858322884 /nfs/dbraw/zinc/32/28/84/858322884.db2.gz MGHYHHRUIMDXCR-CQSZACIVSA-N 0 0 402.422 4.087 20 5 HIBDRN CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000430927240 858372269 /nfs/dbraw/zinc/37/22/69/858372269.db2.gz QHUFXEWGORHLRT-MRXNPFEDSA-N 0 0 418.291 4.098 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cccc1[N+](=O)[O-] ZINC000430948095 858379636 /nfs/dbraw/zinc/37/96/36/858379636.db2.gz DNGWMPPJVOCGRW-GOEBONIOSA-N 0 0 404.264 4.021 20 5 HIBDRN COc1ccc(OCCSCc2nc(Cc3ccccc3C)no2)c([N+](=O)[O-])c1 ZINC000430983555 858391877 /nfs/dbraw/zinc/39/18/77/858391877.db2.gz GCQWPKFPNJQFDK-UHFFFAOYSA-N 0 0 415.471 4.198 20 5 HIBDRN C[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000431067958 858431887 /nfs/dbraw/zinc/43/18/87/858431887.db2.gz ALXQXZOOSWTPLV-NSHDSACASA-N 0 0 403.287 4.125 20 5 HIBDRN Cc1c(NC(=O)c2cccc(-n3cccn3)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431182509 858492174 /nfs/dbraw/zinc/49/21/74/858492174.db2.gz NCGCRTLRAPIDAG-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN CC(C)(NC(=O)Nc1nnc(Cc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000431213552 858507020 /nfs/dbraw/zinc/50/70/20/858507020.db2.gz PGKZGTDWQGLMQB-UHFFFAOYSA-N 0 0 415.450 4.233 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000431212918 858507125 /nfs/dbraw/zinc/50/71/25/858507125.db2.gz NFAMYAPIEKDLMX-UHFFFAOYSA-N 0 0 412.490 4.409 20 5 HIBDRN CSc1cc2c(cc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)OCCO2 ZINC000431216348 858510255 /nfs/dbraw/zinc/51/02/55/858510255.db2.gz MYQGZXIMSBXEBE-UHFFFAOYSA-N 0 0 403.460 4.145 20 5 HIBDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000431232697 858521096 /nfs/dbraw/zinc/52/10/96/858521096.db2.gz YTDXSLPGLYPFBW-LLVKDONJSA-N 0 0 411.227 4.095 20 5 HIBDRN O=C1NC2(CCC2)C(=O)N1Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000431248458 858529928 /nfs/dbraw/zinc/52/99/28/858529928.db2.gz PTZQIXTVCSDEKJ-UHFFFAOYSA-N 0 0 419.796 4.154 20 5 HIBDRN CCOc1ccccc1OCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431250016 858530964 /nfs/dbraw/zinc/53/09/64/858530964.db2.gz VTLIPKQFWIGGLD-UHFFFAOYSA-N 0 0 409.236 4.082 20 5 HIBDRN Cc1ccn(-c2ccc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)cc2)n1 ZINC000431270950 858541149 /nfs/dbraw/zinc/54/11/49/858541149.db2.gz UNDIDYFACNXIFB-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3c(C)cc(C)cc3C)CC2)ccc1[N+](=O)[O-] ZINC000431440432 858616874 /nfs/dbraw/zinc/61/68/74/858616874.db2.gz IHEUBNSMTSJJHO-UHFFFAOYSA-N 0 0 412.490 4.273 20 5 HIBDRN CC(C)(C)NC(=O)c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431443607 858618987 /nfs/dbraw/zinc/61/89/87/858618987.db2.gz GFVUDXQCBZDSIN-UHFFFAOYSA-N 0 0 420.263 4.138 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Cl ZINC000431457924 858626920 /nfs/dbraw/zinc/62/69/20/858626920.db2.gz JZXSAQVFVPRMKK-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431477206 858636264 /nfs/dbraw/zinc/63/62/64/858636264.db2.gz 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415.515 4.078 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000432059733 858958572 /nfs/dbraw/zinc/95/85/72/858958572.db2.gz CIYOUOUMSVLHCA-UHFFFAOYSA-N 0 0 403.504 4.186 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NCc2cccc(N3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000432143197 859013350 /nfs/dbraw/zinc/01/33/50/859013350.db2.gz LKLJOGUNWJHUJH-UHFFFAOYSA-N 0 0 417.465 4.275 20 5 HIBDRN CS(=O)(=O)c1cc(CNc2c(Cl)cccc2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000432177552 859031566 /nfs/dbraw/zinc/03/15/66/859031566.db2.gz PYQWAQGUGQLLED-UHFFFAOYSA-N 0 0 408.785 4.283 20 5 HIBDRN O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000432227496 859056585 /nfs/dbraw/zinc/05/65/85/859056585.db2.gz XOCIATIWJPUGFO-UHFFFAOYSA-N 0 0 419.459 4.194 20 5 HIBDRN CCOC(=O)C1CCC(O)(COc2ccc([N+](=O)[O-])cc2-c2cccs2)CC1 ZINC000432241919 859064322 /nfs/dbraw/zinc/06/43/22/859064322.db2.gz ULEYGZYMBDBJRO-UHFFFAOYSA-N 0 0 405.472 4.187 20 5 HIBDRN 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0 405.735 4.332 20 5 HIBDRN CCC(CC)n1ccc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1 ZINC000433625567 859815893 /nfs/dbraw/zinc/81/58/93/859815893.db2.gz ROPPOSIOIFACHQ-UHFFFAOYSA-N 0 0 404.492 4.384 20 5 HIBDRN Cc1ccc([C@H](NC(=O)COc2cc(F)cc([N+](=O)[O-])c2)c2cccs2)cc1 ZINC000433646677 859823365 /nfs/dbraw/zinc/82/33/65/859823365.db2.gz AHSDRRTYQLANCL-FQEVSTJZSA-N 0 0 400.431 4.388 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1cc(F)ccc1F)C(F)F ZINC000433658271 859827603 /nfs/dbraw/zinc/82/76/03/859827603.db2.gz YZIKHMWQZMLNOA-OAHLLOKOSA-N 0 0 419.762 4.375 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000467676702 881467429 /nfs/dbraw/zinc/46/74/29/881467429.db2.gz OEMSZOABKSBGOC-UHFFFAOYSA-N 0 0 411.355 4.297 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000433683368 859837089 /nfs/dbraw/zinc/83/70/89/859837089.db2.gz CUKQHXXKTAIZHG-OAHLLOKOSA-N 0 0 420.516 4.113 20 5 HIBDRN Cc1ccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(OCC(F)(F)F)c1 ZINC000433698108 859842067 /nfs/dbraw/zinc/84/20/67/859842067.db2.gz TVIGYIFOVOMAMJ-INIZCTEOSA-N 0 0 409.364 4.062 20 5 HIBDRN COc1ccc(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)cc1[N+](=O)[O-] ZINC000433717774 859851060 /nfs/dbraw/zinc/85/10/60/859851060.db2.gz JUMONIZZUBIWRG-UHFFFAOYSA-N 0 0 417.259 4.448 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c1[N+](=O)[O-] ZINC000433825502 859916083 /nfs/dbraw/zinc/91/60/83/859916083.db2.gz HEHWJPGZTXHJEX-UHFFFAOYSA-N 0 0 408.393 4.376 20 5 HIBDRN CCCCOc1ccc([C@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1OC ZINC000433834757 859923117 /nfs/dbraw/zinc/92/31/17/859923117.db2.gz UWBVLKMZNZUATM-ZDUSSCGKSA-N 0 0 404.467 4.120 20 5 HIBDRN CCOC(=O)c1ccc2c(c1)N(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CCO2 ZINC000433886838 859951391 /nfs/dbraw/zinc/95/13/91/859951391.db2.gz FKBUOVKZYFPLGZ-UHFFFAOYSA-N 0 0 412.423 4.025 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cc(F)ccc1Br ZINC000434009487 860037168 /nfs/dbraw/zinc/03/71/68/860037168.db2.gz YYRYPDYCMHGGAY-UHFFFAOYSA-N 0 0 409.255 4.476 20 5 HIBDRN COc1cc(C(=O)NC2CCC3(CC3)CC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000434010692 860038220 /nfs/dbraw/zinc/03/82/20/860038220.db2.gz HVQHGIOSIZAZEM-UHFFFAOYSA-N 0 0 417.487 4.092 20 5 HIBDRN COc1cc(C(=O)NCC(C)(C)CC(C)C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000434187181 860176278 /nfs/dbraw/zinc/17/62/78/860176278.db2.gz QBAUMFVRHSWMAY-UHFFFAOYSA-N 0 0 421.519 4.441 20 5 HIBDRN CCOc1cc(NC(=O)N2CCc3ccc(F)cc3C2)c([N+](=O)[O-])cc1OCC ZINC000434199461 860185747 /nfs/dbraw/zinc/18/57/47/860185747.db2.gz DBXSTBOBIXUPBN-UHFFFAOYSA-N 0 0 403.410 4.122 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c1[N+](=O)[O-] ZINC000434224990 860209528 /nfs/dbraw/zinc/20/95/28/860209528.db2.gz FNIYXMGJPKWIGO-UHFFFAOYSA-N 0 0 417.809 4.192 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NC2(c3cccc(Br)c3)CCC2)c1[N+](=O)[O-] ZINC000434227414 860211883 /nfs/dbraw/zinc/21/18/83/860211883.db2.gz XXXXBMPFTJERLN-UHFFFAOYSA-N 0 0 407.268 4.013 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000434231053 860215484 /nfs/dbraw/zinc/21/54/84/860215484.db2.gz ZGCHYENFOUVNCG-UHFFFAOYSA-N 0 0 400.385 4.239 20 5 HIBDRN Nc1c(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)cc(F)cc1[N+](=O)[O-] ZINC000467716059 881513244 /nfs/dbraw/zinc/51/32/44/881513244.db2.gz ZAXHAZDPXPOTFL-UHFFFAOYSA-N 0 0 406.373 4.300 20 5 HIBDRN COc1cccc(-n2c(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])nc3ccccc32)c1 ZINC000434237844 860220501 /nfs/dbraw/zinc/22/05/01/860220501.db2.gz SWZREFWWYBNCNQ-UHFFFAOYSA-N 0 0 420.429 4.041 20 5 HIBDRN Cn1cc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000434239023 860221457 /nfs/dbraw/zinc/22/14/57/860221457.db2.gz ZEPKYCXFHODSRQ-HXUWFJFHSA-N 0 0 404.470 4.261 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@@H](c4ccccc4)[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434251210 860230696 /nfs/dbraw/zinc/23/06/96/860230696.db2.gz URKHYQMAROXOFM-VGOFRKELSA-N 0 0 418.497 4.475 20 5 HIBDRN O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467717903 881515051 /nfs/dbraw/zinc/51/50/51/881515051.db2.gz ISHHMIPGOYIBOC-UHFFFAOYSA-N 0 0 413.393 4.455 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000434319897 860280095 /nfs/dbraw/zinc/28/00/95/860280095.db2.gz WSXNVLIATKIXJM-BLLLJJGKSA-N 0 0 420.453 4.262 20 5 HIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC000434372772 860318884 /nfs/dbraw/zinc/31/88/84/860318884.db2.gz JQDAGTBKIIXMMD-UHFFFAOYSA-N 0 0 415.453 4.326 20 5 HIBDRN CCCc1[nH]nc(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)c1[N+](=O)[O-] ZINC000434387325 860327190 /nfs/dbraw/zinc/32/71/90/860327190.db2.gz MVGDPZQHKJTCQT-UHFFFAOYSA-N 0 0 419.279 4.115 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000434389390 860327915 /nfs/dbraw/zinc/32/79/15/860327915.db2.gz YDALQBVFFCXMQR-UHFFFAOYSA-N 0 0 402.248 4.022 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(n3ccc(C)n3)CC2)cc1OC ZINC000434492478 860372223 /nfs/dbraw/zinc/37/22/23/860372223.db2.gz HHJVHSWAKZSPFP-INIZCTEOSA-N 0 0 416.522 4.370 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000434500042 860374302 /nfs/dbraw/zinc/37/43/02/860374302.db2.gz PPWCCPFWDNDDPR-GOSISDBHSA-N 0 0 408.502 4.185 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000434502431 860376875 /nfs/dbraw/zinc/37/68/75/860376875.db2.gz DFCBGFFWVARRTL-HXUWFJFHSA-N 0 0 410.518 4.431 20 5 HIBDRN O=C(NCc1csc(CCc2ccccc2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000434558874 860401116 /nfs/dbraw/zinc/40/11/16/860401116.db2.gz MJJNUCBLQHYGRV-UHFFFAOYSA-N 0 0 401.875 4.420 20 5 HIBDRN Cc1occc1CN(C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434715512 860467509 /nfs/dbraw/zinc/46/75/09/860467509.db2.gz ZISMLYKQDZCYHH-LBPRGKRZSA-N 0 0 400.460 4.079 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCO[C@H](c4ccc(Br)cc4)C3)nc2c1 ZINC000434837136 860514502 /nfs/dbraw/zinc/51/45/02/860514502.db2.gz RUXVBWGPZXXLIU-KRWDZBQOSA-N 0 0 418.247 4.072 20 5 HIBDRN COc1cc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c(C)c1OC ZINC000434902436 860546848 /nfs/dbraw/zinc/54/68/48/860546848.db2.gz CYNMKUJEAXNZBM-ZDUSSCGKSA-N 0 0 403.435 4.120 20 5 HIBDRN O=C(C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1)N(Cc1ccccc1)C1CC1 ZINC000434941576 860565911 /nfs/dbraw/zinc/56/59/11/860565911.db2.gz DCNCRRHSBFCDDW-UHFFFAOYSA-N 0 0 414.893 4.051 20 5 HIBDRN O=C(c1ccccc1)c1ccc(Nc2cccc([C@@H]3CNC(=O)C3)c2)c([N+](=O)[O-])c1 ZINC000434953195 860572378 /nfs/dbraw/zinc/57/23/78/860572378.db2.gz ZXDHCFNSTGGKTB-SFHVURJKSA-N 0 0 401.422 4.173 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC000434976391 860583255 /nfs/dbraw/zinc/58/32/55/860583255.db2.gz BVDSQOTVPJLMRZ-JOCHJYFZSA-N 0 0 419.485 4.186 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNCc3noc(-c4ccccc4F)n3)cs2)c1 ZINC000435029637 860606650 /nfs/dbraw/zinc/60/66/50/860606650.db2.gz WQEUEKDAVAOPEO-UHFFFAOYSA-N 0 0 411.418 4.197 20 5 HIBDRN COc1cc(CNCc2cc(F)c(Cl)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000435034072 860608302 /nfs/dbraw/zinc/60/83/02/860608302.db2.gz MINILELUWRYXGN-UHFFFAOYSA-N 0 0 422.762 4.469 20 5 HIBDRN CCOc1cc(NC(=O)NC[C@@H](c2cccnc2)C(C)C)c([N+](=O)[O-])cc1OCC ZINC000435082794 860633463 /nfs/dbraw/zinc/63/34/63/860633463.db2.gz VZIFRHJRVGHOTE-MRXNPFEDSA-N 0 0 416.478 4.349 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000467752443 881562498 /nfs/dbraw/zinc/56/24/98/881562498.db2.gz LKSRGRRSSTZEFA-PSRGHPOCSA-N 0 0 422.500 4.222 20 5 HIBDRN Cc1nc[nH]c1CNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000467752901 881563602 /nfs/dbraw/zinc/56/36/02/881563602.db2.gz HYUCMJJGOFRELA-UHFFFAOYSA-N 0 0 402.863 4.361 20 5 HIBDRN C[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1nc[nH]n1 ZINC000467754834 881568504 /nfs/dbraw/zinc/56/85/04/881568504.db2.gz XAZKLNZBRPBUEL-SNVBAGLBSA-N 0 0 403.851 4.009 20 5 HIBDRN O=C(Nc1cc(F)c(F)cc1Br)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435254389 860705510 /nfs/dbraw/zinc/70/55/10/860705510.db2.gz RNSPHTHBKAWPPF-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN COCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@H]1CC[C@@H](C)C1 ZINC000435322296 860734224 /nfs/dbraw/zinc/73/42/24/860734224.db2.gz BOFLPDCOQREWDW-RISCZKNCSA-N 0 0 414.300 4.335 20 5 HIBDRN COC[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccccc1 ZINC000435322527 860734265 /nfs/dbraw/zinc/73/42/65/860734265.db2.gz DNNOHFXDCUJSPN-HNNXBMFYSA-N 0 0 408.252 4.175 20 5 HIBDRN Cc1ccc2[nH]c(CNC(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)nc2c1 ZINC000435322826 860734999 /nfs/dbraw/zinc/73/49/99/860734999.db2.gz HDLQPFPZRUODCO-UHFFFAOYSA-N 0 0 418.251 4.172 20 5 HIBDRN Cc1c(NC(=O)Nc2c[nH]nc2-c2nccs2)cc(Br)cc1[N+](=O)[O-] ZINC000435324104 860735556 /nfs/dbraw/zinc/73/55/56/860735556.db2.gz SKTWUABLDVSSPR-UHFFFAOYSA-N 0 0 423.252 4.156 20 5 HIBDRN CCO[C@H](CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(C)C ZINC000435324108 860735867 /nfs/dbraw/zinc/73/58/67/860735867.db2.gz SLXDPQHMGORACM-OAHLLOKOSA-N 0 0 402.289 4.238 20 5 HIBDRN Cc1c(NC(=O)N2CCc3cccc(F)c3C2)cc(Br)cc1[N+](=O)[O-] ZINC000435325477 860736577 /nfs/dbraw/zinc/73/65/77/860736577.db2.gz AKOBRFMTBSGSHV-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000435326284 860737596 /nfs/dbraw/zinc/73/75/96/860737596.db2.gz CGZHHBGTEBMNRE-ZFWWWQNUSA-N 0 0 422.283 4.168 20 5 HIBDRN Cc1c(NC(=O)N2CCC([C@H]3CCCO3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435327829 860739249 /nfs/dbraw/zinc/73/92/49/860739249.db2.gz IXVFJLFZDDCKFH-MRXNPFEDSA-N 0 0 412.284 4.089 20 5 HIBDRN COC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435327974 860739874 /nfs/dbraw/zinc/73/98/74/860739874.db2.gz JPXPNFFKXNZDHN-OAHLLOKOSA-N 0 0 422.279 4.045 20 5 HIBDRN Cc1c(NC(=O)N2CCc3c(F)cccc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000435329411 860740748 /nfs/dbraw/zinc/74/07/48/860740748.db2.gz PDYAKSLNYXZZJW-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN CS[C@H]1CCC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435329595 860740819 /nfs/dbraw/zinc/74/08/19/860740819.db2.gz QCLFSBVNJBAWHK-NEPJUHHUSA-N 0 0 402.314 4.461 20 5 HIBDRN Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435330633 860741586 /nfs/dbraw/zinc/74/15/86/860741586.db2.gz VAGCMCBJEOBKOR-QMMMGPOBSA-N 0 0 411.256 4.196 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435333447 860744015 /nfs/dbraw/zinc/74/40/15/860744015.db2.gz PRMFYMZQMKTJTB-WFASDCNBSA-N 0 0 414.300 4.381 20 5 HIBDRN Cc1c(NC(=O)N[C@H](c2cccnc2)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435334353 860745435 /nfs/dbraw/zinc/74/54/35/860745435.db2.gz ZAKYRRCRQZCMTF-INIZCTEOSA-N 0 0 405.252 4.334 20 5 HIBDRN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)O2 ZINC000467759993 881575482 /nfs/dbraw/zinc/57/54/82/881575482.db2.gz WKFJJMYCKOGXDZ-OKILXGFUSA-N 0 0 404.875 4.403 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)ccc1[N+](=O)[O-] ZINC000435383805 860778722 /nfs/dbraw/zinc/77/87/22/860778722.db2.gz KDWNMTFONZAMKA-LLVKDONJSA-N 0 0 415.393 4.099 20 5 HIBDRN Cc1sc(=O)n(CC(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1C ZINC000435444285 860800390 /nfs/dbraw/zinc/80/03/90/860800390.db2.gz RRNPWNKSFLNIOJ-UHFFFAOYSA-N 0 0 421.525 4.286 20 5 HIBDRN Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000435450669 860802817 /nfs/dbraw/zinc/80/28/17/860802817.db2.gz FKLCGEQPIITSAN-UHFFFAOYSA-N 0 0 405.458 4.250 20 5 HIBDRN Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000435449696 860802884 /nfs/dbraw/zinc/80/28/84/860802884.db2.gz UUWSROWYGCRPSL-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCCC[C@@H]2Oc2cccc(C)c2)cc([N+](=O)[O-])c1OC ZINC000435451637 860803461 /nfs/dbraw/zinc/80/34/61/860803461.db2.gz KOXHHMLFTMBMQM-HKUYNNGSSA-N 0 0 414.458 4.040 20 5 HIBDRN CC[C@H]1CCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435472583 860810759 /nfs/dbraw/zinc/81/07/59/860810759.db2.gz GDLHGWIAHBUQFV-LBPRGKRZSA-N 0 0 405.501 4.147 20 5 HIBDRN CCC[C@@H](CC)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435489773 860818676 /nfs/dbraw/zinc/81/86/76/860818676.db2.gz CTNPUTICCHFAJN-GFCCVEGCSA-N 0 0 407.517 4.441 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1[N+](=O)[O-] ZINC000435502363 860825406 /nfs/dbraw/zinc/82/54/06/860825406.db2.gz RBEZDJKYEWUJEE-UHFFFAOYSA-N 0 0 415.789 4.354 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000435505085 860826507 /nfs/dbraw/zinc/82/65/07/860826507.db2.gz BNKKZPIEMSIKOU-UHFFFAOYSA-N 0 0 411.458 4.260 20 5 HIBDRN COc1cccc(C(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)c1[N+](=O)[O-] ZINC000435538964 860852257 /nfs/dbraw/zinc/85/22/57/860852257.db2.gz BSTGAWPBUKSNMP-HXUWFJFHSA-N 0 0 416.437 4.010 20 5 HIBDRN COc1ccc(CNC(=O)c2ccc(Br)c(Cl)c2F)cc1[N+](=O)[O-] ZINC000435543866 860858396 /nfs/dbraw/zinc/85/83/96/860858396.db2.gz YGZKMNWJJURXRF-UHFFFAOYSA-N 0 0 417.618 4.088 20 5 HIBDRN COc1cccc(C(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)c1[N+](=O)[O-] ZINC000435543906 860858510 /nfs/dbraw/zinc/85/85/10/860858510.db2.gz NDWNVEJDLODSJR-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN COc1cccc(C(=O)NCc2ccccc2COCc2ccccc2)c1[N+](=O)[O-] ZINC000435548064 860863234 /nfs/dbraw/zinc/86/32/34/860863234.db2.gz BDANEEKRHKMTTH-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c1[N+](=O)[O-] ZINC000435555351 860874432 /nfs/dbraw/zinc/87/44/32/860874432.db2.gz FJMTUNQAMRUYDT-UHFFFAOYSA-N 0 0 404.272 4.059 20 5 HIBDRN COc1cc(CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C2CC2)ccc1OC(F)F ZINC000435556764 860876238 /nfs/dbraw/zinc/87/62/38/860876238.db2.gz OIXNEHSUDIMSEB-UHFFFAOYSA-N 0 0 422.384 4.018 20 5 HIBDRN CC(C)(C)C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000435557154 860877366 /nfs/dbraw/zinc/87/73/66/860877366.db2.gz HLAWSMRWSVHMGJ-QGZVFWFLSA-N 0 0 423.469 4.156 20 5 HIBDRN Cc1ccc(NCCCNC(=O)N2CCC(OCC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000435569767 860889779 /nfs/dbraw/zinc/88/97/79/860889779.db2.gz YWPJJYYNINZIDI-UHFFFAOYSA-N 0 0 418.538 4.086 20 5 HIBDRN O=c1c(Cl)c(N[C@@H]2C[C@H]2c2c(F)cccc2F)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000435575409 860892083 /nfs/dbraw/zinc/89/20/83/860892083.db2.gz QTJJMMBVCCUFSK-IUODEOHRSA-N 0 0 418.787 4.040 20 5 HIBDRN CCN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000435630171 860926661 /nfs/dbraw/zinc/92/66/61/860926661.db2.gz VXVFDOJDPOXYMU-UHFFFAOYSA-N 0 0 417.421 4.068 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)c1[N+](=O)[O-] ZINC000435649866 860934639 /nfs/dbraw/zinc/93/46/39/860934639.db2.gz ZYXZHHIOXATQQN-UHFFFAOYSA-N 0 0 410.455 4.414 20 5 HIBDRN Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000435721255 861005584 /nfs/dbraw/zinc/00/55/84/861005584.db2.gz BQZQIWCUUUARKJ-SFTDATJTSA-N 0 0 421.453 4.277 20 5 HIBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccncc2)cc1 ZINC000467784813 881607023 /nfs/dbraw/zinc/60/70/23/881607023.db2.gz PTRBFFCTWYOBAR-ZDUSSCGKSA-N 0 0 417.874 4.350 20 5 HIBDRN COc1ccccc1[C@H](C)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435815835 861079906 /nfs/dbraw/zinc/07/99/06/861079906.db2.gz GVWFCYVRAZXBSM-LBPRGKRZSA-N 0 0 408.404 4.459 20 5 HIBDRN COc1cccc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000435818356 861083217 /nfs/dbraw/zinc/08/32/17/861083217.db2.gz RUVJAZGHGBDTAP-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN O=C(Nc1ccc2c(c1)NC(=O)CS2)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435832951 861096927 /nfs/dbraw/zinc/09/69/27/861096927.db2.gz CFUNRCWDVKVNQA-UHFFFAOYSA-N 0 0 419.437 4.117 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000435837268 861098656 /nfs/dbraw/zinc/09/86/56/861098656.db2.gz UMFYKLCWYSCCIC-TWGQIWQCSA-N 0 0 423.516 4.153 20 5 HIBDRN C[C@@H](CO)N(CC1CCC1)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000435859522 861118328 /nfs/dbraw/zinc/11/83/28/861118328.db2.gz AELNQIUGKIUHOG-HNNXBMFYSA-N 0 0 400.500 4.369 20 5 HIBDRN C[C@@H]1COCC[C@@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000435860054 861119597 /nfs/dbraw/zinc/11/95/97/861119597.db2.gz CWIUWDDWAKTWHN-DOMZBBRYSA-N 0 0 422.840 4.468 20 5 HIBDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435872317 861132268 /nfs/dbraw/zinc/13/22/68/861132268.db2.gz OATWZMFFFKSINT-UHFFFAOYSA-N 0 0 416.477 4.361 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(Br)ccc2N2CCCC2)c1[N+](=O)[O-] ZINC000435908995 861171500 /nfs/dbraw/zinc/17/15/00/861171500.db2.gz XKFBIBNVCIRSFF-UHFFFAOYSA-N 0 0 420.263 4.218 20 5 HIBDRN C[C@H](Nc1cnn(-c2ccccc2F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000435932578 861190013 /nfs/dbraw/zinc/19/00/13/861190013.db2.gz CDXWXXSWOPNGQH-NSHDSACASA-N 0 0 403.801 4.012 20 5 HIBDRN Cc1ccccc1OCCN(C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435932475 861190035 /nfs/dbraw/zinc/19/00/35/861190035.db2.gz CNLREBMXFOOEOD-UHFFFAOYSA-N 0 0 422.431 4.419 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(NC(=O)N(C)C)ccc1C ZINC000437922446 863298013 /nfs/dbraw/zinc/29/80/13/863298013.db2.gz MSIUGEOKZUOVNJ-UHFFFAOYSA-N 0 0 402.476 4.361 20 5 HIBDRN COc1cc(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)cc([N+](=O)[O-])c1OC ZINC000437937593 863313801 /nfs/dbraw/zinc/31/38/01/863313801.db2.gz AUFWBXJKCFYNTL-UHFFFAOYSA-N 0 0 411.241 4.117 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](C1CCCC1)C(F)(F)F ZINC000437948724 863321904 /nfs/dbraw/zinc/32/19/04/863321904.db2.gz CDNWZHJRVONMSI-OAQYLSRUSA-N 0 0 402.416 4.392 20 5 HIBDRN CC1=CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000437957352 863328794 /nfs/dbraw/zinc/32/87/94/863328794.db2.gz CRPOALZBWVNIDE-UHFFFAOYSA-N 0 0 402.454 4.169 20 5 HIBDRN CCN(Cc1ccccn1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000437983976 863350545 /nfs/dbraw/zinc/35/05/45/863350545.db2.gz DNHNQJLPMDYVTJ-INIZCTEOSA-N 0 0 405.458 4.220 20 5 HIBDRN Cc1nccn1-c1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000438013050 863373062 /nfs/dbraw/zinc/37/30/62/863373062.db2.gz OWEIQNDBLGCHLQ-UHFFFAOYSA-N 0 0 423.448 4.102 20 5 HIBDRN O=C(NCCc1nc(-c2ccncc2)cs1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438050538 863416568 /nfs/dbraw/zinc/41/65/68/863416568.db2.gz PVIUJKZEDIKMBS-UHFFFAOYSA-N 0 0 422.388 4.105 20 5 HIBDRN O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438061018 863433169 /nfs/dbraw/zinc/43/31/69/863433169.db2.gz YITUHOCKBVRJHF-UHFFFAOYSA-N 0 0 407.430 4.060 20 5 HIBDRN COc1cc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)ccc1O ZINC000438108297 863524806 /nfs/dbraw/zinc/52/48/06/863524806.db2.gz FQOYWQVOKTZHMJ-UHFFFAOYSA-N 0 0 423.212 4.054 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438151618 863571057 /nfs/dbraw/zinc/57/10/57/863571057.db2.gz MCIYOBTTXMFEHA-PSVSLLHZSA-N 0 0 405.248 4.040 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438151616 863571219 /nfs/dbraw/zinc/57/12/19/863571219.db2.gz MCIYOBTTXMFEHA-DINDLPBHSA-N 0 0 405.248 4.040 20 5 HIBDRN COc1ccc(Cl)c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000438214825 863648248 /nfs/dbraw/zinc/64/82/48/863648248.db2.gz LBKZLVGIQSZDFI-UHFFFAOYSA-N 0 0 405.838 4.332 20 5 HIBDRN CCSc1ccc(Cl)cc1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000438267345 863734277 /nfs/dbraw/zinc/73/42/77/863734277.db2.gz GNQOUZIVGHICAM-UHFFFAOYSA-N 0 0 424.906 4.350 20 5 HIBDRN COc1cc(CN2CCc3ncsc3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438346105 863816876 /nfs/dbraw/zinc/81/68/76/863816876.db2.gz BONPZDUQNJZNPI-UHFFFAOYSA-N 0 0 411.483 4.197 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)O[C@H](C)[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000438387539 863840585 /nfs/dbraw/zinc/84/05/85/863840585.db2.gz XDHGMBPOKZSUMF-RWMBFGLXSA-N 0 0 407.517 4.149 20 5 HIBDRN COc1ccc(Oc2ccc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)cn2)cc1 ZINC000438427785 863860933 /nfs/dbraw/zinc/86/09/33/863860933.db2.gz DYDMHJBWZQWCKQ-UHFFFAOYSA-N 0 0 408.414 4.155 20 5 HIBDRN C[C@@H](N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1(C)CC1 ZINC000438451898 863876285 /nfs/dbraw/zinc/87/62/85/863876285.db2.gz SVXJQXTYHYNPCN-CYBMUJFWSA-N 0 0 413.440 4.477 20 5 HIBDRN CC(C)N(C)c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000438455409 863878487 /nfs/dbraw/zinc/87/84/87/863878487.db2.gz ANEMJMLIPOHFFT-UHFFFAOYSA-N 0 0 406.280 4.132 20 5 HIBDRN CC(C)c1nnc2ccc(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)cn21 ZINC000438506746 863929864 /nfs/dbraw/zinc/92/98/64/863929864.db2.gz GVVKVCKRUDLUMN-HNNXBMFYSA-N 0 0 422.489 4.250 20 5 HIBDRN O=C(Nc1ccnc(Oc2ccccc2)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000438509494 863934232 /nfs/dbraw/zinc/93/42/32/863934232.db2.gz YMMOGVFQYOGHGZ-UHFFFAOYSA-N 0 0 419.441 4.136 20 5 HIBDRN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438511831 863936529 /nfs/dbraw/zinc/93/65/29/863936529.db2.gz LFZUDJURRKZOEA-HOCLYGCPSA-N 0 0 413.440 4.296 20 5 HIBDRN COc1cccc(-c2nc(CN3CCc4ccc([N+](=O)[O-])cc4C3)cs2)c1OC ZINC000438535461 863960981 /nfs/dbraw/zinc/96/09/81/863960981.db2.gz YLNGOUUGCGHBDI-UHFFFAOYSA-N 0 0 411.483 4.294 20 5 HIBDRN O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000467862034 881714956 /nfs/dbraw/zinc/71/49/56/881714956.db2.gz GOKDUGTVKMGGNK-UHFFFAOYSA-N 0 0 414.824 4.249 20 5 HIBDRN C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000467863206 881716073 /nfs/dbraw/zinc/71/60/73/881716073.db2.gz JZUUUVQTPYJYPV-SJLPKXTDSA-N 0 0 405.454 4.317 20 5 HIBDRN O=C(N[C@H](CO)Cc1ccccc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000438569352 864002052 /nfs/dbraw/zinc/00/20/52/864002052.db2.gz FAPIHSGYJCAWCK-SFHVURJKSA-N 0 0 408.479 4.079 20 5 HIBDRN Cc1c(C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)cccc1[N+](=O)[O-] ZINC000438643012 864079235 /nfs/dbraw/zinc/07/92/35/864079235.db2.gz SKUAGGUNMMTJGU-INIZCTEOSA-N 0 0 405.248 4.262 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1c(OC(C)C)ccc2ccccc21 ZINC000467876006 881735512 /nfs/dbraw/zinc/73/55/12/881735512.db2.gz AKZQXFHLERJTAK-UHFFFAOYSA-N 0 0 421.453 4.099 20 5 HIBDRN COc1ccc(Cc2noc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1OC ZINC000438740445 864226297 /nfs/dbraw/zinc/22/62/97/864226297.db2.gz XCXMKPXGVCSOKM-UHFFFAOYSA-N 0 0 409.320 4.272 20 5 HIBDRN Cc1c(CC(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cccc1[N+](=O)[O-] ZINC000438838299 864331543 /nfs/dbraw/zinc/33/15/43/864331543.db2.gz SLQLLEDMAAMFCC-UHFFFAOYSA-N 0 0 419.466 4.394 20 5 HIBDRN Cc1c(CC(=O)NCc2cccc(COCc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000438900285 864380601 /nfs/dbraw/zinc/38/06/01/864380601.db2.gz FOUSRAXZRJJAIB-UHFFFAOYSA-N 0 0 404.466 4.479 20 5 HIBDRN Cc1c(CC(=O)Nc2cc(Cl)ccc2N2CCSCC2)cccc1[N+](=O)[O-] ZINC000438908093 864387689 /nfs/dbraw/zinc/38/76/89/864387689.db2.gz DOORTDNRFQYYTD-UHFFFAOYSA-N 0 0 405.907 4.291 20 5 HIBDRN COC(=O)[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000438951048 864422379 /nfs/dbraw/zinc/42/23/79/864422379.db2.gz RYMMEEKVWUXRJT-LJQANCHMSA-N 0 0 412.829 4.354 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000438977159 864441780 /nfs/dbraw/zinc/44/17/80/864441780.db2.gz JPEYHCPZMUIOLJ-UHFFFAOYSA-N 0 0 415.877 4.364 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000439109197 864546090 /nfs/dbraw/zinc/54/60/90/864546090.db2.gz UTSWZBQXPCVKOE-UHFFFAOYSA-N 0 0 411.845 4.461 20 5 HIBDRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1C ZINC000439114222 864551449 /nfs/dbraw/zinc/55/14/49/864551449.db2.gz GXPUWEZZULGIEL-UHFFFAOYSA-N 0 0 419.503 4.431 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000439122222 864558379 /nfs/dbraw/zinc/55/83/79/864558379.db2.gz HSHKERRIDISBQF-HUUCEWRRSA-N 0 0 417.893 4.418 20 5 HIBDRN COC(=O)[C@H]1CC[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000439130817 864564161 /nfs/dbraw/zinc/56/41/61/864564161.db2.gz CUIGOXZGKGLMAZ-QAQDUYKDSA-N 0 0 412.442 4.092 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000439134272 864568029 /nfs/dbraw/zinc/56/80/29/864568029.db2.gz ACPPWMGNYLGJIV-QGZVFWFLSA-N 0 0 419.268 4.463 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000439148047 864579261 /nfs/dbraw/zinc/57/92/61/864579261.db2.gz QEXFSRAOUBVYJD-HUUCEWRRSA-N 0 0 417.893 4.418 20 5 HIBDRN Cc1c(NC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000439167155 864596693 /nfs/dbraw/zinc/59/66/93/864596693.db2.gz IGNVSFPIXWXXKV-UHFFFAOYSA-N 0 0 411.458 4.440 20 5 HIBDRN COCCCOc1cc(C)ccc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439172853 864601184 /nfs/dbraw/zinc/60/11/84/864601184.db2.gz STDRFIBXOUEFFS-UHFFFAOYSA-N 0 0 406.866 4.210 20 5 HIBDRN O=C(NCCc1coc(-c2ccc(F)cc2)n1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467916516 881784819 /nfs/dbraw/zinc/78/48/19/881784819.db2.gz TUIURJHFLACVBL-UHFFFAOYSA-N 0 0 418.812 4.084 20 5 HIBDRN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000439210845 864632912 /nfs/dbraw/zinc/63/29/12/864632912.db2.gz BXXAXPNSFIPZKN-UHFFFAOYSA-N 0 0 413.474 4.218 20 5 HIBDRN COCc1cccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000439228821 864646765 /nfs/dbraw/zinc/64/67/65/864646765.db2.gz IYKHXLXLWYILIW-UHFFFAOYSA-N 0 0 412.467 4.137 20 5 HIBDRN O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000439252556 864670003 /nfs/dbraw/zinc/67/00/03/864670003.db2.gz QDXMXTKYSMXVFE-UHFFFAOYSA-N 0 0 400.341 4.175 20 5 HIBDRN CC[C@@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1cccs1 ZINC000439251690 864670118 /nfs/dbraw/zinc/67/01/18/864670118.db2.gz XBTCJIDOTVHCCA-GFCCVEGCSA-N 0 0 419.322 4.157 20 5 HIBDRN Cc1oc(C(N)=O)cc1-c1csc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000439267439 864684683 /nfs/dbraw/zinc/68/46/83/864684683.db2.gz DTSIXEWTTFODCD-UHFFFAOYSA-N 0 0 414.443 4.094 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3cc(-c4nc[nH]n4)ccc3F)cc2[N+](=O)[O-])CC1 ZINC000439269338 864687931 /nfs/dbraw/zinc/68/79/31/864687931.db2.gz VNJDRXXWAAOOAW-UHFFFAOYSA-N 0 0 424.436 4.008 20 5 HIBDRN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCC(CO)CC1 ZINC000467921436 881793730 /nfs/dbraw/zinc/79/37/30/881793730.db2.gz XMTXUYIRSCFSSY-UHFFFAOYSA-N 0 0 406.891 4.244 20 5 HIBDRN Cc1coc(-c2cccc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)c2)n1 ZINC000467933369 881806556 /nfs/dbraw/zinc/80/65/56/881806556.db2.gz KYSWZHREHGBVNO-UHFFFAOYSA-N 0 0 407.835 4.321 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN3CCCc4c5cccc(F)c5[nH]c4C3)n2)cc1 ZINC000439470139 864843612 /nfs/dbraw/zinc/84/36/12/864843612.db2.gz NGVAOZFICSPYBI-UHFFFAOYSA-N 0 0 407.405 4.214 20 5 HIBDRN COC(=O)c1cccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1OC(C)C ZINC000439653527 864979617 /nfs/dbraw/zinc/97/96/17/864979617.db2.gz JVTPNPGTAMBTCU-ZDUSSCGKSA-N 0 0 401.419 4.051 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000467968295 881827048 /nfs/dbraw/zinc/82/70/48/881827048.db2.gz HUCVUUFANJUNMC-UHFFFAOYSA-N 0 0 411.393 4.026 20 5 HIBDRN COc1cc(CCNC(=O)[C@H](C)c2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC ZINC000439719096 865055318 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404.348 4.443 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000439857637 865165819 /nfs/dbraw/zinc/16/58/19/865165819.db2.gz PDFSPSUQMIMJFB-UHFFFAOYSA-N 0 0 411.439 4.299 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2noc(C)n2)CCCCCC1 ZINC000439868277 865175457 /nfs/dbraw/zinc/17/54/57/865175457.db2.gz DXSIRIXKZXJEMX-UHFFFAOYSA-N 0 0 403.439 4.056 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)[C@H](CO)C(C)C ZINC000439867463 865175521 /nfs/dbraw/zinc/17/55/21/865175521.db2.gz SIDFYBDONZIZDJ-LJQANCHMSA-N 0 0 401.463 4.045 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000439877242 865188261 /nfs/dbraw/zinc/18/82/61/865188261.db2.gz IROZEQPSCULXIA-KRWDZBQOSA-N 0 0 407.854 4.498 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000439879984 865190980 /nfs/dbraw/zinc/19/09/80/865190980.db2.gz QDEULRFLOPEEQR-QFIPXVFZSA-N 0 0 409.486 4.238 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000439886246 865199153 /nfs/dbraw/zinc/19/91/53/865199153.db2.gz CLHASOUDFCGWHS-FQEVSTJZSA-N 0 0 410.405 4.439 20 5 HIBDRN CCC[C@H](C)c1cc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC000439893749 865205959 /nfs/dbraw/zinc/20/59/59/865205959.db2.gz MDZADJUXDNHWMK-GJZGRUSLSA-N 0 0 422.489 5.042 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000439932591 865232971 /nfs/dbraw/zinc/23/29/71/865232971.db2.gz OMYARFWOXNMODV-FPOVZHCZSA-N 0 0 421.457 4.240 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000439936214 865235922 /nfs/dbraw/zinc/23/59/22/865235922.db2.gz WQWSHSIQCDVWHM-HNAYVOBHSA-N 0 0 403.410 4.174 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440001378 865304554 /nfs/dbraw/zinc/30/45/54/865304554.db2.gz MXJWBLQXJPNECW-XMMPIXPASA-N 0 0 417.465 4.359 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440001023 865305019 /nfs/dbraw/zinc/30/50/19/865305019.db2.gz PGMKBUGQGQDFDT-DEOSSOPVSA-N 0 0 416.481 4.291 20 5 HIBDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440032509 865316827 /nfs/dbraw/zinc/31/68/27/865316827.db2.gz XFFJIGPYUPGKDQ-IBGZPJMESA-N 0 0 421.291 4.161 20 5 HIBDRN CC[C@]1(CO)CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000440037643 865320205 /nfs/dbraw/zinc/32/02/05/865320205.db2.gz QPMRPESFABGNDC-OAQYLSRUSA-N 0 0 417.893 4.237 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@H]1O ZINC000468023732 881858981 /nfs/dbraw/zinc/85/89/81/881858981.db2.gz CKVAUTFRBWRUIW-YVEFUNNKSA-N 0 0 406.891 4.242 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)cc1[N+](=O)[O-] ZINC000440077846 865342719 /nfs/dbraw/zinc/34/27/19/865342719.db2.gz VMVGOQZLBUCSSB-VIFPVBQESA-N 0 0 414.220 4.165 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000440144138 865377551 /nfs/dbraw/zinc/37/75/51/865377551.db2.gz ASJJUXKWYOMEPM-ZDUSSCGKSA-N 0 0 403.508 4.027 20 5 HIBDRN COC(=O)c1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])s2)c1Cl ZINC000440168775 865396173 /nfs/dbraw/zinc/39/61/73/865396173.db2.gz LKXKYLNFIJSWFG-UHFFFAOYSA-N 0 0 419.640 4.111 20 5 HIBDRN C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C1CC1 ZINC000440221507 865456057 /nfs/dbraw/zinc/45/60/57/865456057.db2.gz XTXOJYHBJRFHHE-IBGZPJMESA-N 0 0 406.891 4.290 20 5 HIBDRN Cc1nc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)ccc1[N+](=O)[O-] ZINC000440400978 865693113 /nfs/dbraw/zinc/69/31/13/865693113.db2.gz CBKWVFOBPMNCET-UHFFFAOYSA-N 0 0 421.438 4.379 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1 ZINC000468090834 881897651 /nfs/dbraw/zinc/89/76/51/881897651.db2.gz YPLDQJXJWYTRGZ-UHFFFAOYSA-N 0 0 410.879 4.381 20 5 HIBDRN COC(=O)c1cnc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])s1 ZINC000440438797 865741671 /nfs/dbraw/zinc/74/16/71/865741671.db2.gz BAUUFMNOPRZYJH-UHFFFAOYSA-N 0 0 415.452 4.241 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(SC)cc2)ns1 ZINC000440469104 865773173 /nfs/dbraw/zinc/77/31/73/865773173.db2.gz KBCDCOOOHJSBAX-UHFFFAOYSA-N 0 0 402.457 4.096 20 5 HIBDRN COc1cccc(C(=O)c2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2)c1 ZINC000440471455 865776425 /nfs/dbraw/zinc/77/64/25/865776425.db2.gz HKXPFVPGJQIYQZ-UHFFFAOYSA-N 0 0 416.433 4.033 20 5 HIBDRN Cc1ccccc1Nc1nc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000440492279 865793331 /nfs/dbraw/zinc/79/33/31/865793331.db2.gz IUFUYFXOIUAYIT-OAHLLOKOSA-N 0 0 410.503 4.185 20 5 HIBDRN CC(C)(O)CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000440512935 865801420 /nfs/dbraw/zinc/80/14/20/865801420.db2.gz LRIMSGZZTBXCAR-UHFFFAOYSA-N 0 0 414.405 4.266 20 5 HIBDRN O=C(CCn1c(=O)oc2ccccc21)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440592543 865828240 /nfs/dbraw/zinc/82/82/40/865828240.db2.gz BWQYWXUFDMNLLM-UHFFFAOYSA-N 0 0 417.421 4.126 20 5 HIBDRN O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440599217 865830733 /nfs/dbraw/zinc/83/07/33/865830733.db2.gz UBUMXNVKBUZFJV-HXUWFJFHSA-N 0 0 419.412 4.393 20 5 HIBDRN O=C(CCc1nc(-c2ccoc2)no1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440606977 865835003 /nfs/dbraw/zinc/83/50/03/865835003.db2.gz AJGYOZFEVCPQQG-UHFFFAOYSA-N 0 0 418.409 4.404 20 5 HIBDRN CC(=O)N[C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 ZINC000440608285 865835863 /nfs/dbraw/zinc/83/58/63/865835863.db2.gz DBMIZZDATHCWOW-QHCPKHFHSA-N 0 0 417.465 4.396 20 5 HIBDRN O=C(c1cn(Cc2cccs2)nn1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440614187 865840115 /nfs/dbraw/zinc/84/01/15/865840115.db2.gz MRWZOJPCCOWLNQ-UHFFFAOYSA-N 0 0 419.466 4.143 20 5 HIBDRN COC(=O)c1cc(NCc2c(C)nn(Cc3ccccc3)c2C)cc(C)c1[N+](=O)[O-] ZINC000440711310 865871577 /nfs/dbraw/zinc/87/15/77/865871577.db2.gz IIZAWNJGRRSFRI-UHFFFAOYSA-N 0 0 408.458 4.164 20 5 HIBDRN COc1ccccc1CN(Cc1ccccc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000440722669 865875825 /nfs/dbraw/zinc/87/58/25/865875825.db2.gz FFMYIYVQIWYVKL-UHFFFAOYSA-N 0 0 404.426 4.392 20 5 HIBDRN COC(=O)c1cc(N2CCC[C@H]2c2cc(OC)ccc2OC)cc(C)c1[N+](=O)[O-] ZINC000440740304 865884149 /nfs/dbraw/zinc/88/41/49/865884149.db2.gz LQEPQUYLOKGZAE-SFHVURJKSA-N 0 0 400.431 4.049 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000440749652 865887934 /nfs/dbraw/zinc/88/79/34/865887934.db2.gz CFWJNKNVWDIMDO-LJQANCHMSA-N 0 0 423.860 4.443 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(COCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000440760530 865894096 /nfs/dbraw/zinc/89/40/96/865894096.db2.gz MIDRCQSXKIBLHV-UHFFFAOYSA-N 0 0 419.437 4.197 20 5 HIBDRN CC(=O)c1ccc(OCc2csc(CC(=O)Nc3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000440867017 865964921 /nfs/dbraw/zinc/96/49/21/865964921.db2.gz WZYSWPUEUSFAFU-UHFFFAOYSA-N 0 0 411.439 4.014 20 5 HIBDRN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440900526 865998019 /nfs/dbraw/zinc/99/80/19/865998019.db2.gz BEXKAQDJFMRMNZ-NQCMUKECSA-N 0 0 423.307 4.167 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ncc[nH]1)c1cc(C)ccc1Cl ZINC000440902350 865999158 /nfs/dbraw/zinc/99/91/58/865999158.db2.gz GVUDDGYLGKJVIK-UHFFFAOYSA-N 0 0 400.822 4.135 20 5 HIBDRN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441011040 866080261 /nfs/dbraw/zinc/08/02/61/866080261.db2.gz CJXUKLIOHCEJRG-UHFFFAOYSA-N 0 0 403.442 4.314 20 5 HIBDRN CN(C)C(=O)C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc21 ZINC000441050440 866121957 /nfs/dbraw/zinc/12/19/57/866121957.db2.gz LIXGYQLEEYXYSQ-HNNXBMFYSA-N 0 0 417.893 4.099 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2C(=O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000441231306 866306068 /nfs/dbraw/zinc/30/60/68/866306068.db2.gz MFFNGJVDTAUHGA-JOCHJYFZSA-N 0 0 423.513 4.322 20 5 HIBDRN O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000441251639 866324913 /nfs/dbraw/zinc/32/49/13/866324913.db2.gz HVNWCEAGNMIHHJ-UHFFFAOYSA-N 0 0 423.469 4.239 20 5 HIBDRN O=C(CN1CCC(Sc2ccc(Cl)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000441400615 866475702 /nfs/dbraw/zinc/47/57/02/866475702.db2.gz WWRYYQOMNANZMX-UHFFFAOYSA-N 0 0 405.907 4.443 20 5 HIBDRN CCCN(C(=O)CCCNC(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441429611 866506918 /nfs/dbraw/zinc/50/69/18/866506918.db2.gz PKVXQAMOUKMEJD-UHFFFAOYSA-N 0 0 403.866 4.201 20 5 HIBDRN CCCN(C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000441471472 866548057 /nfs/dbraw/zinc/54/80/57/866548057.db2.gz LFVCZTYRWCIADG-UHFFFAOYSA-N 0 0 415.453 4.445 20 5 HIBDRN CCCN(C(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000441473283 866550504 /nfs/dbraw/zinc/55/05/04/866550504.db2.gz OFHHKCJOFCPHOZ-UHFFFAOYSA-N 0 0 408.433 4.465 20 5 HIBDRN CSc1ccc(C(=O)N2CCOc3c(Br)cccc32)cc1[N+](=O)[O-] ZINC000441507855 866588766 /nfs/dbraw/zinc/58/87/66/866588766.db2.gz FHRSSBNSOVEXSX-UHFFFAOYSA-N 0 0 409.261 4.118 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]([C@H]4CCOC4)C3)cc2[N+](=O)[O-])n1 ZINC000441544713 866620003 /nfs/dbraw/zinc/62/00/03/866620003.db2.gz KRZVXYSXHSSMEL-CABCVRRESA-N 0 0 419.528 4.010 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(F)c2F)ccc1[N+](=O)[O-] ZINC000441570253 866652243 /nfs/dbraw/zinc/65/22/43/866652243.db2.gz STIOGMNEQGVEKO-MRXNPFEDSA-N 0 0 423.803 4.078 20 5 HIBDRN Cc1ccc(-n2cc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cn2)c(C)c1 ZINC000468156392 882019638 /nfs/dbraw/zinc/01/96/38/882019638.db2.gz FGSIKJJPQINREI-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCO[C@@H](c2ccco2)C1 ZINC000441796009 866865597 /nfs/dbraw/zinc/86/55/97/866865597.db2.gz CEKWVIBZDYERDN-MRXNPFEDSA-N 0 0 404.220 4.076 20 5 HIBDRN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000441842560 866900120 /nfs/dbraw/zinc/90/01/20/866900120.db2.gz ZIYKWHLMSQOFHA-FQEVSTJZSA-N 0 0 415.465 4.097 20 5 HIBDRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000468162925 882033597 /nfs/dbraw/zinc/03/35/97/882033597.db2.gz CEUUIVXHPIRSAD-OAHLLOKOSA-N 0 0 411.458 4.306 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000442033886 867076786 /nfs/dbraw/zinc/07/67/86/867076786.db2.gz SNCVHSSKSNERDI-UHFFFAOYSA-N 0 0 409.364 4.284 20 5 HIBDRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000468167201 882044878 /nfs/dbraw/zinc/04/48/78/882044878.db2.gz FMGUPQOSDZOQTM-KRWDZBQOSA-N 0 0 424.501 4.041 20 5 HIBDRN COc1cc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)ccc1[N+](=O)[O-] ZINC000468171030 882048849 /nfs/dbraw/zinc/04/88/49/882048849.db2.gz WTDYZZCUQZQJND-MRXNPFEDSA-N 0 0 413.474 4.308 20 5 HIBDRN CC[C@H](C)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000442150497 867171781 /nfs/dbraw/zinc/17/17/81/867171781.db2.gz NXZTYQWNZFFMIG-KPZWWZAWSA-N 0 0 419.865 4.099 20 5 HIBDRN CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000442256148 867293564 /nfs/dbraw/zinc/29/35/64/867293564.db2.gz WMHAIYTZCQUHDI-UHFFFAOYSA-N 0 0 419.684 4.226 20 5 HIBDRN Cc1cncc(N(Cc2ccc(F)cc2)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000442617327 867561716 /nfs/dbraw/zinc/56/17/16/867561716.db2.gz CVQVFGLORHTNKN-UHFFFAOYSA-N 0 0 415.446 4.141 20 5 HIBDRN O=C(Nc1cc(Br)c(F)cc1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000468217874 882099652 /nfs/dbraw/zinc/09/96/52/882099652.db2.gz ZXTIQQBVUNICBV-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN C[C@]1(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000442677573 867610843 /nfs/dbraw/zinc/61/08/43/867610843.db2.gz CGRXSYOMOZMRGQ-PZJWPPBQSA-N 0 0 400.500 4.417 20 5 HIBDRN Cc1cccc(NCCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n1 ZINC000442719684 867645750 /nfs/dbraw/zinc/64/57/50/867645750.db2.gz RYPHTJSSRRJGNG-UHFFFAOYSA-N 0 0 408.483 4.291 20 5 HIBDRN CC(C)(C)OC(=O)CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442722738 867649103 /nfs/dbraw/zinc/64/91/03/867649103.db2.gz YGRJJMSNWZXYHY-UHFFFAOYSA-N 0 0 402.472 4.208 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2ncc[nH]2)C1 ZINC000442742488 867659819 /nfs/dbraw/zinc/65/98/19/867659819.db2.gz PFRUCYYTIPDAIY-HNNXBMFYSA-N 0 0 408.483 4.489 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000442747835 867661675 /nfs/dbraw/zinc/66/16/75/867661675.db2.gz AWLJCDSJIJWDDW-GJZGRUSLSA-N 0 0 414.483 4.017 20 5 HIBDRN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000442922218 867740333 /nfs/dbraw/zinc/74/03/33/867740333.db2.gz APVOGFGPTPBEQI-UHFFFAOYSA-N 0 0 408.235 4.053 20 5 HIBDRN CCCC1(CNC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])CCC1 ZINC000468227437 882117370 /nfs/dbraw/zinc/11/73/70/882117370.db2.gz AUDYGFOXIZNVNC-UHFFFAOYSA-N 0 0 419.503 4.339 20 5 HIBDRN CC[C@@]1(C)Oc2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2O1 ZINC000442978413 867774483 /nfs/dbraw/zinc/77/44/83/867774483.db2.gz OUDBPIGBRJBYFZ-QFIPXVFZSA-N 0 0 411.458 4.347 20 5 HIBDRN O=C(NCCc1ccc2[nH]ccc2c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000443003591 867789166 /nfs/dbraw/zinc/78/91/66/867789166.db2.gz QWGFCIQOKJKOAP-UHFFFAOYSA-N 0 0 417.415 4.413 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCOC[C@@]23CCOC3)ccc1Oc1ccccc1Cl ZINC000443069245 867809997 /nfs/dbraw/zinc/80/99/97/867809997.db2.gz MPNAMUQVZHNZEF-FQEVSTJZSA-N 0 0 404.850 4.032 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000443183114 867863121 /nfs/dbraw/zinc/86/31/21/867863121.db2.gz QNCBGDRTRQQDLG-UHFFFAOYSA-N 0 0 424.194 4.350 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000443205208 867874684 /nfs/dbraw/zinc/87/46/84/867874684.db2.gz RTDZHOYWNLPACZ-UHFFFAOYSA-N 0 0 424.194 4.350 20 5 HIBDRN CCOc1cc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc(Cl)c1O ZINC000443208038 867874700 /nfs/dbraw/zinc/87/47/00/867874700.db2.gz MYKKARSRCKRDQA-UHFFFAOYSA-N 0 0 404.810 4.057 20 5 HIBDRN CCn1c(SCCOc2cccc(OC)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000443420570 868004582 /nfs/dbraw/zinc/00/45/82/868004582.db2.gz ZTZJWWFTGJVIQB-UHFFFAOYSA-N 0 0 400.460 4.053 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(I)cc2)CC1 ZINC000443465387 868054475 /nfs/dbraw/zinc/05/44/75/868054475.db2.gz WVWPMKKEEHRWKS-UHFFFAOYSA-N 0 0 422.222 4.178 20 5 HIBDRN Cc1cc(CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)ccc1Br ZINC000443473931 868061135 /nfs/dbraw/zinc/06/11/35/868061135.db2.gz GZLNZIZCOIVLCX-UHFFFAOYSA-N 0 0 420.288 4.205 20 5 HIBDRN Cc1ccc([C@H](Nc2ncc([N+](=O)[O-])s2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000443523584 868081037 /nfs/dbraw/zinc/08/10/37/868081037.db2.gz QFPWYUSMQKDGPN-GOSISDBHSA-N 0 0 417.512 4.273 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1csc(Br)c1)C1CC1 ZINC000443656341 868255299 /nfs/dbraw/zinc/25/52/99/868255299.db2.gz LBHBRDQNGDQSOJ-UHFFFAOYSA-N 0 0 424.320 4.330 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1CC(=O)c1cccs1 ZINC000443675420 868282600 /nfs/dbraw/zinc/28/26/00/868282600.db2.gz PINWSFOBBQKWNO-OCCSQVGLSA-N 0 0 422.890 4.341 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000443684214 868289653 /nfs/dbraw/zinc/28/96/53/868289653.db2.gz KSVZGEPZGZTTOI-SFHVURJKSA-N 0 0 420.537 4.195 20 5 HIBDRN CC(C)(NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000443697597 868295536 /nfs/dbraw/zinc/29/55/36/868295536.db2.gz IMFVXGSNPRNKRN-UHFFFAOYSA-N 0 0 403.287 4.256 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000468261180 882174832 /nfs/dbraw/zinc/17/48/32/882174832.db2.gz KSZCGJNIZJCCMV-OAHLLOKOSA-N 0 0 411.439 4.189 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000443773270 868328198 /nfs/dbraw/zinc/32/81/98/868328198.db2.gz HRWPQOPODVNMQR-HNNXBMFYSA-N 0 0 401.271 4.009 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(Cc1cccs1)C[C@H]1CCCO1 ZINC000443850950 868380608 /nfs/dbraw/zinc/38/06/08/868380608.db2.gz MWKALAHLSAZENP-CYBMUJFWSA-N 0 0 414.405 4.497 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443858839 868390968 /nfs/dbraw/zinc/39/09/68/868390968.db2.gz 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Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000443946727 868484016 /nfs/dbraw/zinc/48/40/16/868484016.db2.gz JRSPHOKLNKWVCP-UHFFFAOYSA-N 0 0 414.437 4.233 20 5 HIBDRN COc1ccc(C(=O)C2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000443948294 868485426 /nfs/dbraw/zinc/48/54/26/868485426.db2.gz CRTSUTSPEQMJJX-UHFFFAOYSA-N 0 0 411.458 4.347 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000443948502 868485634 /nfs/dbraw/zinc/48/56/34/868485634.db2.gz QIELCTYQDYRZCP-UHFFFAOYSA-N 0 0 401.810 4.237 20 5 HIBDRN Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443976662 868504205 /nfs/dbraw/zinc/50/42/05/868504205.db2.gz DSSQIDYEVKQDIW-INIZCTEOSA-N 0 0 402.394 4.016 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(F)cc(F)c2Br)cc1[N+](=O)[O-] ZINC000468276187 882196889 /nfs/dbraw/zinc/19/68/89/882196889.db2.gz BLAYTYRHYXGYGV-UHFFFAOYSA-N 0 0 401.163 4.287 20 5 HIBDRN O=C(N[C@@H]1CCOc2ccc(F)cc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444002036 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ZINC000444772237 868995066 /nfs/dbraw/zinc/99/50/66/868995066.db2.gz MVGFQMPGQQAMNY-UHFFFAOYSA-N 0 0 408.458 4.171 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000444811954 869023313 /nfs/dbraw/zinc/02/33/13/869023313.db2.gz JQPIFDXITSMUSC-UHFFFAOYSA-N 0 0 413.743 4.465 20 5 HIBDRN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444826473 869035079 /nfs/dbraw/zinc/03/50/79/869035079.db2.gz FRZKADZQINCHJE-UHFFFAOYSA-N 0 0 410.249 4.020 20 5 HIBDRN Cc1nc2ccccc2n1CCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444830090 869037473 /nfs/dbraw/zinc/03/74/73/869037473.db2.gz TUYMSNUETGSZEM-UHFFFAOYSA-N 0 0 410.477 4.160 20 5 HIBDRN CCCn1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nc2ccccc21 ZINC000444830117 869037565 /nfs/dbraw/zinc/03/75/65/869037565.db2.gz UDYXQVBQMWISEQ-UHFFFAOYSA-N 0 0 409.265 4.431 20 5 HIBDRN O=C(Nc1cccc(Oc2cnccn2)c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444847656 869051148 /nfs/dbraw/zinc/05/11/48/869051148.db2.gz KBPJZQHYBRLWLU-UHFFFAOYSA-N 0 0 421.232 4.253 20 5 HIBDRN O=C(NCc1cccnc1OC1CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444855674 869058006 /nfs/dbraw/zinc/05/80/06/869058006.db2.gz XXEPYXDZEMOBDY-UHFFFAOYSA-N 0 0 413.477 4.328 20 5 HIBDRN COCc1cc([N+](=O)[O-])ccc1NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000444873259 869069470 /nfs/dbraw/zinc/06/94/70/869069470.db2.gz MAVZFIMDTWIHEN-UHFFFAOYSA-N 0 0 417.263 4.302 20 5 HIBDRN Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000444889209 869078569 /nfs/dbraw/zinc/07/85/69/869078569.db2.gz YJGHOAMHUHCBLG-QGZVFWFLSA-N 0 0 410.396 4.308 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)CSc1ccccc1OC ZINC000444907006 869093629 /nfs/dbraw/zinc/09/36/29/869093629.db2.gz UMAZZNPIPYHKJZ-CYBMUJFWSA-N 0 0 405.476 4.162 20 5 HIBDRN Cc1ncc(-c2ccccc2)cc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444923964 869107169 /nfs/dbraw/zinc/10/71/69/869107169.db2.gz PRLOALTYQLKYES-UHFFFAOYSA-N 0 0 402.414 4.163 20 5 HIBDRN COc1cccc(Oc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3OC)cn2)c1 ZINC000444925636 869109688 /nfs/dbraw/zinc/10/96/88/869109688.db2.gz WGCOJGVNVDCIQY-UHFFFAOYSA-N 0 0 424.413 4.121 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000444997675 869152942 /nfs/dbraw/zinc/15/29/42/869152942.db2.gz LFHASAHSGFBQKW-OAQYLSRUSA-N 0 0 419.416 4.199 20 5 HIBDRN CN(Cc1nccn1Cc1ccccc1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445009680 869162633 /nfs/dbraw/zinc/16/26/33/869162633.db2.gz NARRLZXVOVYPDR-UHFFFAOYSA-N 0 0 422.488 4.198 20 5 HIBDRN C[C@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@@H](c2ccsc2)O1 ZINC000445023943 869173645 /nfs/dbraw/zinc/17/36/45/869173645.db2.gz UDCPKNYGKAVYRT-XOBRGWDASA-N 0 0 404.491 4.345 20 5 HIBDRN CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000445141990 869239932 /nfs/dbraw/zinc/23/99/32/869239932.db2.gz WBJWIZATMXKVGY-GJZGRUSLSA-N 0 0 409.364 4.123 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445145108 869240922 /nfs/dbraw/zinc/24/09/22/869240922.db2.gz SQZBNHUDOMTOKP-FATZIPQQSA-N 0 0 404.441 4.326 20 5 HIBDRN CC[C@H](C)Oc1cc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)ccn1 ZINC000445147368 869242610 /nfs/dbraw/zinc/24/26/10/869242610.db2.gz XNYXKPLIUQJWBN-HNNXBMFYSA-N 0 0 401.466 4.184 20 5 HIBDRN C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(Cl)c1Cl ZINC000445151062 869244008 /nfs/dbraw/zinc/24/40/08/869244008.db2.gz KYIXAUZARUPGOQ-VIFPVBQESA-N 0 0 408.245 4.338 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000445168370 869254769 /nfs/dbraw/zinc/25/47/69/869254769.db2.gz WCSPFRRNJFULQY-IAGOWNOFSA-N 0 0 410.257 4.332 20 5 HIBDRN O=C(N[C@@H]1CCc2c1cccc2Cl)c1sc(Br)cc1[N+](=O)[O-] ZINC000445171271 869255975 /nfs/dbraw/zinc/25/59/75/869255975.db2.gz GFDIRPXWAPFWPX-SNVBAGLBSA-N 0 0 401.669 4.490 20 5 HIBDRN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445171259 869256251 /nfs/dbraw/zinc/25/62/51/869256251.db2.gz GDOFCOAJXSFJIJ-GOSISDBHSA-N 0 0 414.461 4.491 20 5 HIBDRN COc1cc(Cl)ccc1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000445174109 869259871 /nfs/dbraw/zinc/25/98/71/869259871.db2.gz BKHOJSCTYCRVDY-UHFFFAOYSA-N 0 0 405.657 4.011 20 5 HIBDRN Cc1cccc(C)c1OCCCNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000445176522 869261355 /nfs/dbraw/zinc/26/13/55/869261355.db2.gz VLOGLFYIZWWZAU-UHFFFAOYSA-N 0 0 413.293 4.235 20 5 HIBDRN COc1ccc(C(C)(C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000445181727 869263548 /nfs/dbraw/zinc/26/35/48/869263548.db2.gz HNOYRDGYNVRCSR-UHFFFAOYSA-N 0 0 400.478 4.398 20 5 HIBDRN CC(C)(C)c1csc(CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n1 ZINC000445188400 869266252 /nfs/dbraw/zinc/26/62/52/869266252.db2.gz UGIRINZRMADJBY-UHFFFAOYSA-N 0 0 405.523 4.408 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000445219959 869282559 /nfs/dbraw/zinc/28/25/59/869282559.db2.gz ZDASHYOBAIBKAG-FQEVSTJZSA-N 0 0 411.437 4.341 20 5 HIBDRN CCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445240455 869296728 /nfs/dbraw/zinc/29/67/28/869296728.db2.gz NTOAZYWNGSBJRS-UHFFFAOYSA-N 0 0 423.351 4.210 20 5 HIBDRN O=C(CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000445257839 869311077 /nfs/dbraw/zinc/31/10/77/869311077.db2.gz ZZNNWJLAKXBOQZ-UHFFFAOYSA-N 0 0 417.259 4.300 20 5 HIBDRN Cc1nc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)no1 ZINC000468349810 882286208 /nfs/dbraw/zinc/28/62/08/882286208.db2.gz GGZNXFOEKCJHRN-UHFFFAOYSA-N 0 0 418.862 4.363 20 5 HIBDRN CC[C@@H](C)c1ccc(NC(=O)Cc2noc(COc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000445271236 869318975 /nfs/dbraw/zinc/31/89/75/869318975.db2.gz APYMVJAKLPXUED-CQSZACIVSA-N 0 0 410.430 4.252 20 5 HIBDRN CCc1cccc(CC)c1NC(=O)Cc1noc(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000445308568 869361346 /nfs/dbraw/zinc/36/13/46/869361346.db2.gz AOHMZAAKYQCWRR-UHFFFAOYSA-N 0 0 408.458 4.183 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)Cc1noc(/C=C\c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000445333018 869395201 /nfs/dbraw/zinc/39/52/01/869395201.db2.gz QZBWSKGKQOZTPS-VURMDHGXSA-N 0 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ZINC000445410166 869493335 /nfs/dbraw/zinc/49/33/35/869493335.db2.gz GYEJQWACSOJVDH-UHFFFAOYSA-N 0 0 418.837 4.447 20 5 HIBDRN COC(=O)c1cc(-c2nc(-c3ccc(Br)cc3C)no2)cc([N+](=O)[O-])c1 ZINC000445455739 869533608 /nfs/dbraw/zinc/53/36/08/869533608.db2.gz FVQMIGQBIFXBRC-UHFFFAOYSA-N 0 0 418.203 4.169 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(Cc3csc(Cc4ccc(F)cc4)n3)n2)s1 ZINC000445467585 869541461 /nfs/dbraw/zinc/54/14/61/869541461.db2.gz AVDSGJKPPOFXNZ-UHFFFAOYSA-N 0 0 402.432 4.484 20 5 HIBDRN Cc1ncc(-c2noc(/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])s3)n2)c(N)n1 ZINC000445484403 869555543 /nfs/dbraw/zinc/55/55/43/869555543.db2.gz SIHNMGLZOGEMKR-VQHVLOKHSA-N 0 0 406.427 4.224 20 5 HIBDRN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000445487911 869558184 /nfs/dbraw/zinc/55/81/84/869558184.db2.gz UTIFMLSJWJKJNC-GFCCVEGCSA-N 0 0 418.862 4.380 20 5 HIBDRN COc1cccc(C(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)c1 ZINC000445570955 869630585 /nfs/dbraw/zinc/63/05/85/869630585.db2.gz KDDXAYOKZOGSIO-UHFFFAOYSA-N 0 0 406.394 4.095 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C\c3ccccc3OC(F)F)n2)c1 ZINC000445573256 869633318 /nfs/dbraw/zinc/63/33/18/869633318.db2.gz VIUOWTOUEZFGBA-TWGQIWQCSA-N 0 0 403.341 4.349 20 5 HIBDRN Cc1nn(CCc2nc(-c3cc(C)c(Br)c(C)c3)no2)c(C)c1[N+](=O)[O-] ZINC000445572851 869633376 /nfs/dbraw/zinc/63/33/76/869633376.db2.gz UQXRDIPOGGFTIH-UHFFFAOYSA-N 0 0 420.267 4.080 20 5 HIBDRN CC[C@H](C)n1ncc2c1nc(C)cc2-c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000445574787 869634830 /nfs/dbraw/zinc/63/48/30/869634830.db2.gz ALXWUKWJJZVMQW-ZDUSSCGKSA-N 0 0 422.445 4.268 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(CCCOc3ccccc3Cl)n2)c1 ZINC000445577740 869636137 /nfs/dbraw/zinc/63/61/37/869636137.db2.gz WJIWEJBRUPYRSR-UHFFFAOYSA-N 0 0 403.822 4.242 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(/C=C/c2cccc(OCc3ccccc3)c2)n1 ZINC000445578049 869637788 /nfs/dbraw/zinc/63/77/88/869637788.db2.gz BHMGIWFCWADFIA-ZHACJKMWSA-N 0 0 403.398 4.128 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCCN3Cc3ccc(F)cc3)n2)c1 ZINC000445579093 869638417 /nfs/dbraw/zinc/63/84/17/869638417.db2.gz KRNMNYGCNYWONE-LJQANCHMSA-N 0 0 412.421 4.053 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(OCc4ccccc4)nc3)n2)c1 ZINC000445581582 869641473 /nfs/dbraw/zinc/64/14/73/869641473.db2.gz DEDAUPSFSLTPKD-UHFFFAOYSA-N 0 0 418.409 4.218 20 5 HIBDRN Cc1nn(-c2ccccc2C)c2sc(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)cc12 ZINC000445582435 869642356 /nfs/dbraw/zinc/64/23/56/869642356.db2.gz IPUPDOLWDSRGHF-UHFFFAOYSA-N 0 0 421.442 4.063 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(-c4ccco4)nc4ccccc43)n2)n1C ZINC000445619213 869682725 /nfs/dbraw/zinc/68/27/25/869682725.db2.gz HXCGTZVTWHVGKD-UHFFFAOYSA-N 0 0 402.370 4.162 20 5 HIBDRN COc1ccccc1NC(=O)c1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000445629571 869696415 /nfs/dbraw/zinc/69/64/15/869696415.db2.gz OLNVEYNTVQDECX-UHFFFAOYSA-N 0 0 419.437 4.427 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000445634792 869703784 /nfs/dbraw/zinc/70/37/84/869703784.db2.gz NMTPCWQZLOKROH-UHFFFAOYSA-N 0 0 422.510 4.181 20 5 HIBDRN Cn1cccc1[C@@H]1CCCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445667823 869736344 /nfs/dbraw/zinc/73/63/44/869736344.db2.gz UFDOBOMNMUVEML-SFHVURJKSA-N 0 0 420.307 4.382 20 5 HIBDRN COc1ccc([C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C(C)C)cc1 ZINC000445676239 869746561 /nfs/dbraw/zinc/74/65/61/869746561.db2.gz NXOMAOSRFWFZKD-LJQANCHMSA-N 0 0 421.291 4.422 20 5 HIBDRN CCOc1ccc(-c2nc(C(C)(C)c3ccc(OC)c(OC)c3)no2)cc1[N+](=O)[O-] ZINC000445693813 869761465 /nfs/dbraw/zinc/76/14/65/869761465.db2.gz XCHRGQKTIPXYEG-UHFFFAOYSA-N 0 0 413.430 4.387 20 5 HIBDRN C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000445699063 869764550 /nfs/dbraw/zinc/76/45/50/869764550.db2.gz HCKDIEIDIIYATN-ZDUSSCGKSA-N 0 0 423.391 4.365 20 5 HIBDRN C/C(=C\c1cccc(Cl)c1)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000445722751 869780767 /nfs/dbraw/zinc/78/07/67/869780767.db2.gz 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869955830 /nfs/dbraw/zinc/95/58/30/869955830.db2.gz BELZKNHCJFNWBP-UHFFFAOYSA-N 0 0 403.276 4.381 20 5 HIBDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446001700 869964574 /nfs/dbraw/zinc/96/45/74/869964574.db2.gz JHVGOGWAKPPENJ-UHFFFAOYSA-N 0 0 409.486 4.347 20 5 HIBDRN COc1ccc(CC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c(F)c1 ZINC000446016984 869984049 /nfs/dbraw/zinc/98/40/49/869984049.db2.gz WYAHBYDRAWQNIP-UHFFFAOYSA-N 0 0 401.419 4.072 20 5 HIBDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1sc(Br)cc1[N+](=O)[O-])CCC2 ZINC000446040519 870002792 /nfs/dbraw/zinc/00/27/92/870002792.db2.gz ANHNAKZGAJKREZ-VIFPVBQESA-N 0 0 416.322 4.333 20 5 HIBDRN O=C(NCc1nc(-c2ccncc2)cs1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000446089101 870036450 /nfs/dbraw/zinc/03/64/50/870036450.db2.gz FLVDJJXCBVFXPL-UHFFFAOYSA-N 0 0 412.474 4.130 20 5 HIBDRN COc1cc(OC)c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000446201895 870136295 /nfs/dbraw/zinc/13/62/95/870136295.db2.gz ONZJYXNTYTZAFE-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN CC(C)CCn1ncc(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C(C)C ZINC000446251052 870193825 /nfs/dbraw/zinc/19/38/25/870193825.db2.gz XCIPNTRGHWFBLP-UHFFFAOYSA-N 0 0 413.482 4.159 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccc(Cl)cc1Cl ZINC000446375691 870286423 /nfs/dbraw/zinc/28/64/23/870286423.db2.gz DBLJZNVTPNCPFZ-JTQLQIEISA-N 0 0 415.298 4.477 20 5 HIBDRN CN(C)C(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000446424961 870339814 /nfs/dbraw/zinc/33/98/14/870339814.db2.gz OPMABYLCPNHGLS-UHFFFAOYSA-N 0 0 419.437 4.128 20 5 HIBDRN COc1ccc(CC(C)(C)NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000446424945 870340142 /nfs/dbraw/zinc/34/01/42/870340142.db2.gz OJPZLJHSSCDVQO-UHFFFAOYSA-N 0 0 404.488 4.085 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1ccc(Br)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446429628 870346718 /nfs/dbraw/zinc/34/67/18/870346718.db2.gz MMZVVFXGJDBGSJ-MSOLQXFVSA-N 0 0 401.260 4.046 20 5 HIBDRN 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871452838 /nfs/dbraw/zinc/45/28/38/871452838.db2.gz HCVZSEITFUVFSG-YADHBBJMSA-N 0 0 422.485 4.102 20 5 HIBDRN O=C1CCc2cc(N[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)ccc2N1CC1CC1 ZINC000447599305 871506524 /nfs/dbraw/zinc/50/65/24/871506524.db2.gz JXIVUUVCQZPEPF-QUCCMNQESA-N 0 0 409.490 4.076 20 5 HIBDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447599507 871506626 /nfs/dbraw/zinc/50/66/26/871506626.db2.gz YARSCVFSUIQXLB-VFNWGFHPSA-N 0 0 417.531 4.302 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Br)c(C)c2F)c([N+](=O)[O-])cc1OC ZINC000447639574 871556753 /nfs/dbraw/zinc/55/67/53/871556753.db2.gz MYRCNMHLFSJDIU-UHFFFAOYSA-N 0 0 413.199 4.074 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000447644417 871566019 /nfs/dbraw/zinc/56/60/19/871566019.db2.gz VYLGBRVPLVPFCA-SFHVURJKSA-N 0 0 414.849 4.123 20 5 HIBDRN CS(=O)(=O)c1cccc([C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2ccccc2)c1 ZINC000447675216 871609103 /nfs/dbraw/zinc/60/91/03/871609103.db2.gz LPXQIHDKOSYMEI-HXUWFJFHSA-N 0 0 422.466 4.076 20 5 HIBDRN Cc1cccc2nc(CNc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])n(C)c21 ZINC000447676294 871609562 /nfs/dbraw/zinc/60/95/62/871609562.db2.gz DWONLTZDLCABHK-UHFFFAOYSA-N 0 0 415.322 4.451 20 5 HIBDRN CCN(CC)c1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cn1 ZINC000447676676 871609605 /nfs/dbraw/zinc/60/96/05/871609605.db2.gz CTZRSARXBITTTD-UHFFFAOYSA-N 0 0 419.354 4.497 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@@H](CCO)c1ccccc1 ZINC000447677744 871609758 /nfs/dbraw/zinc/60/97/58/871609758.db2.gz HMSBNCPSYKTAHX-GFCCVEGCSA-N 0 0 405.323 4.222 20 5 HIBDRN CS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2Cl)cc1C(F)(F)F ZINC000447678453 871611838 /nfs/dbraw/zinc/61/18/38/871611838.db2.gz AAABWSLWIBEGME-UHFFFAOYSA-N 0 0 408.785 4.283 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@]2(C1)OCc1ccccc12 ZINC000447680483 871612168 /nfs/dbraw/zinc/61/21/68/871612168.db2.gz OQDIDBXVLPJYLQ-MRXNPFEDSA-N 0 0 415.318 4.280 20 5 HIBDRN COc1cccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1OC ZINC000447682351 871614209 /nfs/dbraw/zinc/61/42/09/871614209.db2.gz XUMQVZRSRZYGQT-UHFFFAOYSA-N 0 0 407.295 4.273 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(c2ncc3n2CCCC3)CC1 ZINC000447682067 871614567 /nfs/dbraw/zinc/61/45/67/871614567.db2.gz VELCENRAPYIIJD-UHFFFAOYSA-N 0 0 422.407 4.166 20 5 HIBDRN CN(C)C(=O)c1cccc(Oc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC000447686646 871619530 /nfs/dbraw/zinc/61/95/30/871619530.db2.gz AGVZYISJTYVZMO-UHFFFAOYSA-N 0 0 405.279 4.138 20 5 HIBDRN COc1ccccc1-c1csc([C@@H]2CCCN(c3c([N+](=O)[O-])c(C)nn3C)C2)n1 ZINC000447689935 871623980 /nfs/dbraw/zinc/62/39/80/871623980.db2.gz VBLTWUWUDTXCJJ-CQSZACIVSA-N 0 0 413.503 4.153 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000447701128 871642438 /nfs/dbraw/zinc/64/24/38/871642438.db2.gz YZAXHRZXIDKSCB-UHFFFAOYSA-N 0 0 418.291 4.382 20 5 HIBDRN O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000447711454 871653328 /nfs/dbraw/zinc/65/33/28/871653328.db2.gz XPQSXVBTZWMWBD-CYBMUJFWSA-N 0 0 408.254 4.211 20 5 HIBDRN O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000447715585 871658047 /nfs/dbraw/zinc/65/80/47/871658047.db2.gz PVAJICSAPZXHPS-UHFFFAOYSA-N 0 0 411.433 4.043 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1 ZINC000447863065 871786378 /nfs/dbraw/zinc/78/63/78/871786378.db2.gz KIEANZDNYHPUHB-UHFFFAOYSA-N 0 0 418.368 4.106 20 5 HIBDRN C[C@@H](SCCn1cc([N+](=O)[O-])cn1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000448067150 871892476 /nfs/dbraw/zinc/89/24/76/871892476.db2.gz HPFRUQPWVZXDST-SNVBAGLBSA-N 0 0 413.381 4.355 20 5 HIBDRN CC1(C)CCCC[C@H]1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000448093906 871932518 /nfs/dbraw/zinc/93/25/18/871932518.db2.gz CBKUSWSCXJNOCL-AWEZNQCLSA-N 0 0 423.516 4.039 20 5 HIBDRN COc1ccc(-c2nc(NC(=O)CSc3ccc([N+](=O)[O-])cn3)sc2C)cc1 ZINC000448106709 871954098 /nfs/dbraw/zinc/95/40/98/871954098.db2.gz GCEBFUILRVJWRZ-UHFFFAOYSA-N 0 0 416.484 4.161 20 5 HIBDRN CO[C@@H]1CCOc2c(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cccc21 ZINC000448110812 871958032 /nfs/dbraw/zinc/95/80/32/871958032.db2.gz UPDODCORYCLICS-PIGZYNQJSA-N 0 0 405.838 4.157 20 5 HIBDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448138686 872013693 /nfs/dbraw/zinc/01/36/93/872013693.db2.gz VNYPULPYDDOIDH-GFCCVEGCSA-N 0 0 419.363 4.028 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCCC[C@H]2Oc2ccccc2C)cc([N+](=O)[O-])c1OC ZINC000448186184 872065498 /nfs/dbraw/zinc/06/54/98/872065498.db2.gz VYHQMGOHHHYCCY-QFBILLFUSA-N 0 0 414.458 4.040 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000448286748 872216081 /nfs/dbraw/zinc/21/60/81/872216081.db2.gz BYXVVUHHJMXFKG-UHFFFAOYSA-N 0 0 404.348 4.371 20 5 HIBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1C[C@H](n2cccn2)Cc2ccccc21 ZINC000448313762 872249805 /nfs/dbraw/zinc/24/98/05/872249805.db2.gz IYNZZDYFUGTBIM-CQSZACIVSA-N 0 0 416.359 4.254 20 5 HIBDRN O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000448459749 872417488 /nfs/dbraw/zinc/41/74/88/872417488.db2.gz RBHAYRBPGVXBCW-ZDUSSCGKSA-N 0 0 408.254 4.211 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)c(C)c1[N+](=O)[O-] ZINC000448509802 872492024 /nfs/dbraw/zinc/49/20/24/872492024.db2.gz IMPNANOWVMQMLM-UHFFFAOYSA-N 0 0 405.867 4.214 20 5 HIBDRN O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)[C@H]1Cc2ccccc21 ZINC000460121186 872592329 /nfs/dbraw/zinc/59/23/29/872592329.db2.gz MWLGQVGZLONUJM-SFHVURJKSA-N 0 0 400.394 4.319 20 5 HIBDRN Cc1cc(-c2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)cc([N+](=O)[O-])c1 ZINC000460147591 872664457 /nfs/dbraw/zinc/66/44/57/872664457.db2.gz VWIWDDDVLFMVLB-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)CC(C)(C)OC)cc1 ZINC000460272599 872862265 /nfs/dbraw/zinc/86/22/65/872862265.db2.gz AVWSGQZHCNIOSN-CQSZACIVSA-N 0 0 402.447 4.329 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000460272929 872862471 /nfs/dbraw/zinc/86/24/71/872862471.db2.gz FFHFQDKJZRMTKC-AWEZNQCLSA-N 0 0 422.466 4.361 20 5 HIBDRN CO[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000460305857 872893980 /nfs/dbraw/zinc/89/39/80/872893980.db2.gz MVFTVMLFHVNSCE-QGZVFWFLSA-N 0 0 413.257 4.174 20 5 HIBDRN CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000460306317 872894954 /nfs/dbraw/zinc/89/49/54/872894954.db2.gz ABJHEQIRJOVZAH-OAHLLOKOSA-N 0 0 413.453 4.164 20 5 HIBDRN CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000460312182 872898172 /nfs/dbraw/zinc/89/81/72/872898172.db2.gz PSGPLIUENQQWMM-UHFFFAOYSA-N 0 0 402.458 4.100 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H](C)Oc4cc(F)ccc43)cc2[N+](=O)[O-])C1 ZINC000460324992 872924418 /nfs/dbraw/zinc/92/44/18/872924418.db2.gz CPIHAHSMNHCHGG-HUUCEWRRSA-N 0 0 413.449 4.398 20 5 HIBDRN CO[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000460328463 872932000 /nfs/dbraw/zinc/93/20/00/872932000.db2.gz PBJRBNRWYKZNHG-PIGZYNQJSA-N 0 0 413.257 4.173 20 5 HIBDRN C[C@H]1CN(C)c2ccccc2N(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000460332178 872935841 /nfs/dbraw/zinc/93/58/41/872935841.db2.gz CVYAUVMGIVTZTR-AWEZNQCLSA-N 0 0 408.483 4.451 20 5 HIBDRN O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460352405 872973152 /nfs/dbraw/zinc/97/31/52/872973152.db2.gz ZIINUGHFZPFECT-AUUYWEPGSA-N 0 0 404.875 4.074 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CO1 ZINC000460389925 873036005 /nfs/dbraw/zinc/03/60/05/873036005.db2.gz RIYGVXMUCNSWSC-UGSOOPFHSA-N 0 0 419.275 4.268 20 5 HIBDRN COc1ccc(-n2c(NC(=O)c3cc([N+](=O)[O-])ccc3OC)nc3ccccc32)cc1 ZINC000460399722 873049478 /nfs/dbraw/zinc/04/94/78/873049478.db2.gz JIXGRZCJLOKOFC-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c1 ZINC000460437204 873104816 /nfs/dbraw/zinc/10/48/16/873104816.db2.gz MMZHWPBGTRSPCV-UHFFFAOYSA-N 0 0 408.382 4.193 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000460445332 873113698 /nfs/dbraw/zinc/11/36/98/873113698.db2.gz REABNRCLKQQEGB-CQSZACIVSA-N 0 0 403.866 4.046 20 5 HIBDRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000460471682 873157407 /nfs/dbraw/zinc/15/74/07/873157407.db2.gz PTTUSAOZQXALPB-MRXNPFEDSA-N 0 0 419.890 4.019 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000460477410 873163677 /nfs/dbraw/zinc/16/36/77/873163677.db2.gz BRVFMVNYRQPXKZ-FNHZYXHNSA-N 0 0 417.893 4.035 20 5 HIBDRN O=C(Nc1ccc(F)cc1OC(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000460496310 873181440 /nfs/dbraw/zinc/18/14/40/873181440.db2.gz ZADWKSLFKFSXEM-UHFFFAOYSA-N 0 0 409.364 4.190 20 5 HIBDRN CC(C)c1ccc(-c2noc(CCC(=O)NCCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000460501487 873186667 /nfs/dbraw/zinc/18/66/67/873186667.db2.gz FVTXGRSVVNVPLA-UHFFFAOYSA-N 0 0 408.458 4.060 20 5 HIBDRN CC[C@@H](Cc1cccc(Br)c1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460506228 873193806 /nfs/dbraw/zinc/19/38/06/873193806.db2.gz BZWBJROFFAZJSK-HNNXBMFYSA-N 0 0 405.292 4.285 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000460524688 873216156 /nfs/dbraw/zinc/21/61/56/873216156.db2.gz WEGDBFUFISBFQJ-AWEZNQCLSA-N 0 0 419.934 4.489 20 5 HIBDRN CCOc1cc(C(=O)N(C[C@@H]2CCCO2)C2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000460552490 873263467 /nfs/dbraw/zinc/26/34/67/873263467.db2.gz OFWOHRZIBHTJAY-JCYILVPMSA-N 0 0 420.506 4.202 20 5 HIBDRN COc1cc(OCC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000460556886 873275471 /nfs/dbraw/zinc/27/54/71/873275471.db2.gz WATOJHQBPYYKAV-CBLJQSSYSA-N 0 0 404.850 4.149 20 5 HIBDRN CC(C)c1cnc(NC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)s1 ZINC000460567203 873299770 /nfs/dbraw/zinc/29/97/70/873299770.db2.gz VQBFGNGJWMDJGX-OAHLLOKOSA-N 0 0 424.910 4.221 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@@H](C)CO2)c1 ZINC000460582689 873318687 /nfs/dbraw/zinc/31/86/87/873318687.db2.gz JFVPJCZLVBVBMS-JXFKEZNVSA-N 0 0 400.500 4.292 20 5 HIBDRN COc1cccc2c1CCN(c1nnc(-c3ccc([N+](=O)[O-])cc3)n1CC(C)C)C2 ZINC000460604831 873347557 /nfs/dbraw/zinc/34/75/57/873347557.db2.gz DLNREFIRTZUAAB-UHFFFAOYSA-N 0 0 407.474 4.081 20 5 HIBDRN COc1ccc2c(c1)CN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1CC(C)C)CC2 ZINC000460613852 873356223 /nfs/dbraw/zinc/35/62/23/873356223.db2.gz MWFIYIGAJKJBAV-UHFFFAOYSA-N 0 0 407.474 4.081 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1Cc2ccccc2C[C@H]1C ZINC000460702877 873478122 /nfs/dbraw/zinc/47/81/22/873478122.db2.gz PINXVTGLXNFSQT-QGZVFWFLSA-N 0 0 421.501 4.231 20 5 HIBDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000468616656 882729996 /nfs/dbraw/zinc/72/99/96/882729996.db2.gz ZXIPRTQUWGFRLB-UHFFFAOYSA-N 0 0 414.412 4.418 20 5 HIBDRN Cc1cc(-c2nc(-c3ccccc3I)no2)ccc1[N+](=O)[O-] ZINC000460749414 873585202 /nfs/dbraw/zinc/58/52/02/873585202.db2.gz WZLDDRBFUFYVSF-UHFFFAOYSA-N 0 0 407.167 4.225 20 5 HIBDRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000468622294 882743858 /nfs/dbraw/zinc/74/38/58/882743858.db2.gz UDYIINCBJPNXCS-MRXNPFEDSA-N 0 0 421.457 4.218 20 5 HIBDRN Cc1nc2ccccc2n1CCCCCn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000460867713 873774718 /nfs/dbraw/zinc/77/47/18/873774718.db2.gz CXCOYOGYGNMLII-UHFFFAOYSA-N 0 0 419.279 4.048 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)[C@H]1c1ccccc1 ZINC000460911609 873818467 /nfs/dbraw/zinc/81/84/67/873818467.db2.gz ROGXUTIIHXWGCF-TYCQWZJGSA-N 0 0 419.485 4.230 20 5 HIBDRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000460935191 873836568 /nfs/dbraw/zinc/83/65/68/873836568.db2.gz RMCWIEJLWHMMMM-YOEHRIQHSA-N 0 0 413.503 4.291 20 5 HIBDRN CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000460941379 873841924 /nfs/dbraw/zinc/84/19/24/873841924.db2.gz 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403.504 4.160 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000462212078 875319473 /nfs/dbraw/zinc/31/94/73/875319473.db2.gz UDDDONSLLDFHRP-UHFFFAOYSA-N 0 0 421.519 4.023 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2OC(C)C)cc1 ZINC000462213037 875321509 /nfs/dbraw/zinc/32/15/09/875321509.db2.gz TWCKUVGAENXEMU-UHFFFAOYSA-N 0 0 421.519 4.025 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)CNc2cc([N+](=O)[O-])c(C)cc2C)c(OC)c1 ZINC000462213010 875322297 /nfs/dbraw/zinc/32/22/97/875322297.db2.gz SUHHLKUCQQQFHV-LJQANCHMSA-N 0 0 413.474 4.004 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000468882446 882920504 /nfs/dbraw/zinc/92/05/04/882920504.db2.gz GRXJERZIBKRLLG-FQEVSTJZSA-N 0 0 415.877 4.062 20 5 HIBDRN COCCNC(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2OC(C)C)cc1Cl ZINC000462240637 875355086 /nfs/dbraw/zinc/35/50/86/875355086.db2.gz YCGXYRKJVNDOAM-UHFFFAOYSA-N 0 0 421.881 4.024 20 5 HIBDRN Cc1ccccc1[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462269908 875397556 /nfs/dbraw/zinc/39/75/56/875397556.db2.gz PCKGVVPSJQYSRC-LBPRGKRZSA-N 0 0 415.298 4.388 20 5 HIBDRN COc1ccc(CN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1C ZINC000462289838 875413301 /nfs/dbraw/zinc/41/33/01/875413301.db2.gz BVNIXTHHQLHGKJ-UHFFFAOYSA-N 0 0 419.286 4.039 20 5 HIBDRN CCCOc1ccc(Br)cc1CSCc1c([N+](=O)[O-])ncn1C ZINC000462379515 875491316 /nfs/dbraw/zinc/49/13/16/875491316.db2.gz WMPKFIQIDNGFQP-UHFFFAOYSA-N 0 0 400.298 4.313 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000462406145 875512850 /nfs/dbraw/zinc/51/28/50/875512850.db2.gz AXBCNIJIQWVPEP-SFHVURJKSA-N 0 0 409.486 4.428 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(Br)s1 ZINC000462420569 875526397 /nfs/dbraw/zinc/52/63/97/875526397.db2.gz GOSPEESBXZTFIS-CYBMUJFWSA-N 0 0 411.321 4.346 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000462422847 875528854 /nfs/dbraw/zinc/52/88/54/875528854.db2.gz QCKIFVMWNDZNNX-GOSISDBHSA-N 0 0 421.453 4.325 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000462427995 875534861 /nfs/dbraw/zinc/53/48/61/875534861.db2.gz LNNUPZABGLVNRP-INIZCTEOSA-N 0 0 410.392 4.421 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)cccc1C(=O)N1CCCC1 ZINC000462429794 875535527 /nfs/dbraw/zinc/53/55/27/875535527.db2.gz SJSFODCQSCUEQD-GOSISDBHSA-N 0 0 409.486 4.347 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000462431251 875537344 /nfs/dbraw/zinc/53/73/44/875537344.db2.gz JTTWOKINWHFHSY-RDJZCZTQSA-N 0 0 400.475 4.367 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)[C@@H](C)CC)c1 ZINC000462433607 875539157 /nfs/dbraw/zinc/53/91/57/875539157.db2.gz UVQGIFMFUKXGHH-QFBILLFUSA-N 0 0 411.502 4.465 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCOC)c1nc2ccccc2s1 ZINC000462433908 875540687 /nfs/dbraw/zinc/54/06/87/875540687.db2.gz AUJCPBYXQNOJAZ-MRXNPFEDSA-N 0 0 413.499 4.453 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000462436913 875542285 /nfs/dbraw/zinc/54/22/85/875542285.db2.gz NAASUYYTXVFCCW-RDJZCZTQSA-N 0 0 400.475 4.448 20 5 HIBDRN Cc1cc(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1Cl ZINC000462445789 875551362 /nfs/dbraw/zinc/55/13/62/875551362.db2.gz OJGDSGRHWBRDIM-UHFFFAOYSA-N 0 0 401.894 4.132 20 5 HIBDRN CN(Cc1ccc(F)cc1F)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462464366 875571014 /nfs/dbraw/zinc/57/10/14/875571014.db2.gz KJCDZIMVXYIOIM-UHFFFAOYSA-N 0 0 411.213 4.001 20 5 HIBDRN CN(Cc1ccc(Cl)s1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462471596 875577919 /nfs/dbraw/zinc/57/79/19/875577919.db2.gz VTIXSDNMCSCCLR-UHFFFAOYSA-N 0 0 415.707 4.437 20 5 HIBDRN CCN(Cc1cccc(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c1)C(C)=O ZINC000462485654 875595839 /nfs/dbraw/zinc/59/58/39/875595839.db2.gz OGXBFBCNMMPLKE-UHFFFAOYSA-N 0 0 420.469 4.681 20 5 HIBDRN CN(Cc1ccccc1Cl)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462485511 875596103 /nfs/dbraw/zinc/59/61/03/875596103.db2.gz NLZJZAGQTKQAIM-UHFFFAOYSA-N 0 0 409.678 4.376 20 5 HIBDRN CCc1ccc([C@H]2COCCN2c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)o1 ZINC000462491037 875602600 /nfs/dbraw/zinc/60/26/00/875602600.db2.gz QBNQYHYUQXXFGS-LJQANCHMSA-N 0 0 409.442 4.302 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OC)c(Br)c1 ZINC000462492328 875604451 /nfs/dbraw/zinc/60/44/51/875604451.db2.gz VIBJUFUGKWYFOK-OAHLLOKOSA-N 0 0 421.291 4.251 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(Oc3ccccn3)CC2)nc1OCc1ccccc1 ZINC000462494396 875606359 /nfs/dbraw/zinc/60/63/59/875606359.db2.gz LPMYELUWMAILDL-UHFFFAOYSA-N 0 0 406.442 4.012 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000462501740 875617480 /nfs/dbraw/zinc/61/74/80/875617480.db2.gz MZNXYIYBTMZEDB-IEBWSBKVSA-N 0 0 411.502 4.195 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000462501741 875618103 /nfs/dbraw/zinc/61/81/03/875618103.db2.gz MZNXYIYBTMZEDB-MJGOQNOKSA-N 0 0 411.502 4.195 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2c(cc1SC)OCCO2 ZINC000462506006 875622748 /nfs/dbraw/zinc/62/27/48/875622748.db2.gz WUVPDCRXGGOYSI-AWEZNQCLSA-N 0 0 402.472 4.295 20 5 HIBDRN CS(=O)(=O)c1ccc(Sc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1 ZINC000462504992 875622907 /nfs/dbraw/zinc/62/29/07/875622907.db2.gz BBMNHIIMGGMRSN-UHFFFAOYSA-N 0 0 416.480 4.124 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000462536142 875655601 /nfs/dbraw/zinc/65/56/01/875655601.db2.gz QYSIDABBEKLFLB-LBPRGKRZSA-N 0 0 410.879 4.171 20 5 HIBDRN C[C@@H](c1ccccc1F)N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462541157 875662551 /nfs/dbraw/zinc/66/25/51/875662551.db2.gz ZFBZTWUWIDCJBY-VIFPVBQESA-N 0 0 407.250 4.422 20 5 HIBDRN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000462571378 875695611 /nfs/dbraw/zinc/69/56/11/875695611.db2.gz HSXREVHAXCPQEH-BMIGLBTASA-N 0 0 401.271 4.283 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(OCc3cscn3)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462581023 875702194 /nfs/dbraw/zinc/70/21/94/875702194.db2.gz OGXSQGPMKWPLLA-UHFFFAOYSA-N 0 0 420.450 4.161 20 5 HIBDRN Cc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462584089 875702435 /nfs/dbraw/zinc/70/24/35/875702435.db2.gz YPFJJHXDFWVZLJ-UHFFFAOYSA-N 0 0 402.410 4.100 20 5 HIBDRN COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000462582543 875702533 /nfs/dbraw/zinc/70/25/33/875702533.db2.gz BONGBMXRTKKVTK-SFHVURJKSA-N 0 0 404.488 4.136 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(Br)c(C)cc2OC)cc1[N+](=O)[O-] ZINC000462590606 875708683 /nfs/dbraw/zinc/70/86/83/875708683.db2.gz HEGGLDDOZTZISI-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1c1cccc(C)c1C ZINC000462595039 875711649 /nfs/dbraw/zinc/71/16/49/875711649.db2.gz OIBRJMCXABINGS-SFHVURJKSA-N 0 0 404.488 4.136 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000462611048 875723690 /nfs/dbraw/zinc/72/36/90/875723690.db2.gz GXZJLKRQKLEXBT-SFHVURJKSA-N 0 0 422.481 4.251 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000462613110 875724952 /nfs/dbraw/zinc/72/49/52/875724952.db2.gz DIXIHKYRPBBFKH-MAUKXSAKSA-N 0 0 408.458 4.015 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000462612288 875725039 /nfs/dbraw/zinc/72/50/39/875725039.db2.gz GCMKGWQFZCGSOU-MTXGHXLOSA-N 0 0 402.516 4.121 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000462627842 875739478 /nfs/dbraw/zinc/73/94/78/875739478.db2.gz CZMJFXSVXPFESC-LOKFHWFJSA-N 0 0 408.907 4.334 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000462627843 875739893 /nfs/dbraw/zinc/73/98/93/875739893.db2.gz CZMJFXSVXPFESC-PGGUUEOZSA-N 0 0 408.907 4.334 20 5 HIBDRN C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000462648740 875758424 /nfs/dbraw/zinc/75/84/24/875758424.db2.gz ZYIYHHZXDVMXGR-SFHVURJKSA-N 0 0 417.465 4.115 20 5 HIBDRN CC(C)[C@H](Cc1ccc(F)cc1)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462675230 875772399 /nfs/dbraw/zinc/77/23/99/875772399.db2.gz JGAHPCRLGZJWIN-KRWDZBQOSA-N 0 0 414.886 4.275 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(C(F)F)cc2)c([N+](=O)[O-])c1 ZINC000462704154 875789980 /nfs/dbraw/zinc/78/99/80/875789980.db2.gz UIUMTYNEPUCLBQ-UHFFFAOYSA-N 0 0 413.446 4.175 20 5 HIBDRN O=C(NCc1ccco1)c1cccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c1 ZINC000462779668 875836355 /nfs/dbraw/zinc/83/63/55/875836355.db2.gz SHXDZQFMRVOKMX-UHFFFAOYSA-N 0 0 417.368 4.331 20 5 HIBDRN COc1ccc(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1OC(F)F ZINC000462800093 875848927 /nfs/dbraw/zinc/84/89/27/875848927.db2.gz CCNINXMUBMEKKG-UHFFFAOYSA-N 0 0 404.316 4.461 20 5 HIBDRN CCc1ccc(Oc2ncnc3ccc(I)cc32)c([N+](=O)[O-])c1 ZINC000462847191 875882151 /nfs/dbraw/zinc/88/21/51/875882151.db2.gz WUTNHULEZUXPAP-UHFFFAOYSA-N 0 0 421.194 4.497 20 5 HIBDRN COc1cc(OC)cc(-c2cccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)n2)c1 ZINC000462850997 875885959 /nfs/dbraw/zinc/88/59/59/875885959.db2.gz HGFPDLIJXKTLNY-UHFFFAOYSA-N 0 0 418.409 4.408 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000462882631 875909943 /nfs/dbraw/zinc/90/99/43/875909943.db2.gz GCSZKPCKPJLYHN-HXUWFJFHSA-N 0 0 422.403 4.071 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000462885958 875913413 /nfs/dbraw/zinc/91/34/13/875913413.db2.gz CJOSMRVNFAGKLG-ZDUSSCGKSA-N 0 0 423.391 4.259 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000462900232 875924577 /nfs/dbraw/zinc/92/45/77/875924577.db2.gz KPRPONRQKVFCIJ-XLIONFOSSA-N 0 0 410.470 4.298 20 5 HIBDRN O=C(c1ccc(NC2CC(c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000462899450 875925106 /nfs/dbraw/zinc/92/51/06/875925106.db2.gz YRPOLMQOJICQIV-UHFFFAOYSA-N 0 0 415.877 4.079 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(F)F)cc1 ZINC000462901218 875926539 /nfs/dbraw/zinc/92/65/39/875926539.db2.gz UDQCUCGOYVRARZ-UHFFFAOYSA-N 0 0 424.425 4.118 20 5 HIBDRN Cc1c(Br)cc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000462912102 875937202 /nfs/dbraw/zinc/93/72/02/875937202.db2.gz IQUJKIZZIHYZHS-CRAIPNDOSA-N 0 0 419.275 4.316 20 5 HIBDRN CNc1c(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)cccc1[N+](=O)[O-] ZINC000462928516 875957077 /nfs/dbraw/zinc/95/70/77/875957077.db2.gz RYHDTSGHHDWFCH-UHFFFAOYSA-N 0 0 410.474 4.069 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)c2ccncc21 ZINC000462930462 875959070 /nfs/dbraw/zinc/95/90/70/875959070.db2.gz BPQXJMYJFYFJJE-CQSZACIVSA-N 0 0 421.375 4.305 20 5 HIBDRN CCOc1ccc(Oc2cc(CNC(=O)c3cccc([N+](=O)[O-])c3NC)ccn2)cc1 ZINC000462934048 875961293 /nfs/dbraw/zinc/96/12/93/875961293.db2.gz YRRRRBKJIRKZID-UHFFFAOYSA-N 0 0 422.441 4.153 20 5 HIBDRN CCOC(=O)c1cnc2ccccc2c1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000462937104 875962249 /nfs/dbraw/zinc/96/22/49/875962249.db2.gz YBYVPCJAUVFMEX-UHFFFAOYSA-N 0 0 421.453 4.368 20 5 HIBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000462945663 875966290 /nfs/dbraw/zinc/96/62/90/875966290.db2.gz SHWLCDYUJUYIOG-OAHLLOKOSA-N 0 0 424.888 4.076 20 5 HIBDRN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Oc1ccc(Br)cc1 ZINC000462956427 875973275 /nfs/dbraw/zinc/97/32/75/875973275.db2.gz ZQHGZXKAPYASHF-LLVKDONJSA-N 0 0 420.263 4.121 20 5 HIBDRN CCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)[C@H]1CCOC1 ZINC000462976744 875988865 /nfs/dbraw/zinc/98/88/65/875988865.db2.gz JWDNATYUPUGMMK-HNNXBMFYSA-N 0 0 420.849 4.300 20 5 HIBDRN CNc1c(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000462993335 876008790 /nfs/dbraw/zinc/00/87/90/876008790.db2.gz SJORRRUBDMNAQR-UHFFFAOYSA-N 0 0 416.865 4.168 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000463018637 876036091 /nfs/dbraw/zinc/03/60/91/876036091.db2.gz HKNUEBPEVLEWNR-GOSISDBHSA-N 0 0 420.415 4.073 20 5 HIBDRN COc1cc(C)c(Br)cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000463037581 876060235 /nfs/dbraw/zinc/06/02/35/876060235.db2.gz UKVNSZIDOASEOA-UHFFFAOYSA-N 0 0 404.220 4.408 20 5 HIBDRN COc1cc(C)c(Br)cc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000463041724 876066203 /nfs/dbraw/zinc/06/62/03/876066203.db2.gz DCYFPJUUPBFLFV-UHFFFAOYSA-N 0 0 404.220 4.408 20 5 HIBDRN COCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000463048627 876076741 /nfs/dbraw/zinc/07/67/41/876076741.db2.gz NCGZBYICLFVDAR-GFCCVEGCSA-N 0 0 419.890 4.458 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(-c4ccccc4C(F)(F)F)on3)n2)n1C ZINC000463049323 876077326 /nfs/dbraw/zinc/07/73/26/876077326.db2.gz RDLJMYWXFGQIKQ-UHFFFAOYSA-N 0 0 420.307 4.028 20 5 HIBDRN O=C(NC1CC1)c1ccc(N[C@@H]2COc3c2ccc(Cl)c3Cl)c([N+](=O)[O-])c1 ZINC000463070996 876102770 /nfs/dbraw/zinc/10/27/70/876102770.db2.gz JEQZITKROITYCX-CQSZACIVSA-N 0 0 408.241 4.339 20 5 HIBDRN COc1ccc(Nc2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)cc1 ZINC000463103475 876139861 /nfs/dbraw/zinc/13/98/61/876139861.db2.gz ATPDSIODXYUJLD-IBGZPJMESA-N 0 0 409.446 4.175 20 5 HIBDRN CN(CC(=O)N(Cc1cccs1)Cc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000463104056 876140094 /nfs/dbraw/zinc/14/00/94/876140094.db2.gz ATLDDBIUOWVRGB-UHFFFAOYSA-N 0 0 401.513 4.383 20 5 HIBDRN Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cn2)n1 ZINC000463104834 876141904 /nfs/dbraw/zinc/14/19/04/876141904.db2.gz DMRPIETZUWIUJK-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)C1CCN(c2nc3ccccc3o2)CC1 ZINC000463133830 876181628 /nfs/dbraw/zinc/18/16/28/876181628.db2.gz VUIIXRSSYQQJJH-UHFFFAOYSA-N 0 0 417.425 4.139 20 5 HIBDRN COc1ccc([C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000463137982 876188126 /nfs/dbraw/zinc/18/81/26/876188126.db2.gz NJBNZAQHXNLDHT-HSZRJFAPSA-N 0 0 423.444 4.085 20 5 HIBDRN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463138254 876188613 /nfs/dbraw/zinc/18/86/13/876188613.db2.gz CEYVFLQOIBQCPX-LBPRGKRZSA-N 0 0 411.355 4.009 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(-c4ncsc4Cl)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000463162276 876217372 /nfs/dbraw/zinc/21/73/72/876217372.db2.gz PGJNKQAYRDPCQK-UHFFFAOYSA-N 0 0 416.850 4.283 20 5 HIBDRN COc1ccc(CNc2nnc(S[C@H](C)c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000463250314 876307550 /nfs/dbraw/zinc/30/75/50/876307550.db2.gz KNRQGOYLIAHYGF-GFCCVEGCSA-N 0 0 402.501 4.920 20 5 HIBDRN CN(CC(=O)N1CCC[C@@H]1c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000463292027 876352430 /nfs/dbraw/zinc/35/24/30/876352430.db2.gz ZETWOMPGNWJQAL-MRXNPFEDSA-N 0 0 418.291 4.157 20 5 HIBDRN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000463351082 876404624 /nfs/dbraw/zinc/40/46/24/876404624.db2.gz SYZNZOKLYAHHEJ-UHFFFAOYSA-N 0 0 422.407 4.289 20 5 HIBDRN C[C@H]1CCCN(c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)ccn2)C1 ZINC000463425959 876480760 /nfs/dbraw/zinc/48/07/60/876480760.db2.gz LWKZEHBRHFSVFB-LBPRGKRZSA-N 0 0 406.389 4.080 20 5 HIBDRN COC(C)(C)c1nc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000463428324 876483543 /nfs/dbraw/zinc/48/35/43/876483543.db2.gz KDWKFDVDGQVPGD-UHFFFAOYSA-N 0 0 401.391 4.095 20 5 HIBDRN COc1cc(CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000463482308 876539784 /nfs/dbraw/zinc/53/97/84/876539784.db2.gz JJJQHUYMRSVOEY-WMZOPIPTSA-N 0 0 415.248 4.139 20 5 HIBDRN CC[C@@H](NC(=O)NC[C@@H]1CCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000463513762 876578704 /nfs/dbraw/zinc/57/87/04/876578704.db2.gz JMGRMHCQZUKOPC-HNAYVOBHSA-N 0 0 400.454 4.011 20 5 HIBDRN Cn1c(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)ccc1[N+](=O)[O-] ZINC000463532594 876609521 /nfs/dbraw/zinc/60/95/21/876609521.db2.gz RHMVVSCVLSMPHN-UHFFFAOYSA-N 0 0 416.796 4.230 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000463587208 876692592 /nfs/dbraw/zinc/69/25/92/876692592.db2.gz HAFIHOVPBWLCPK-NXEZZACHSA-N 0 0 402.275 4.356 20 5 HIBDRN CN(CC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1ccccc1[N+](=O)[O-] ZINC000463598635 876712242 /nfs/dbraw/zinc/71/22/42/876712242.db2.gz YDMZTCNFYXIXCC-FQEVSTJZSA-N 0 0 417.465 4.338 20 5 HIBDRN C[C@H](O)C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000468996573 883062935 /nfs/dbraw/zinc/06/29/35/883062935.db2.gz NDHHRWRYCOVUCW-YOEHRIQHSA-N 0 0 411.483 4.003 20 5 HIBDRN CN(CC(=O)Nc1cccc(COCCc2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000463654228 876775188 /nfs/dbraw/zinc/77/51/88/876775188.db2.gz FOQHOHQLYPNYKN-UHFFFAOYSA-N 0 0 419.481 4.429 20 5 HIBDRN CN(Cc1ccc2ccccc2c1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463684795 876805971 /nfs/dbraw/zinc/80/59/71/876805971.db2.gz KOCOLVAONZHXKO-UHFFFAOYSA-N 0 0 407.451 4.117 20 5 HIBDRN C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463686874 876808241 /nfs/dbraw/zinc/80/82/41/876808241.db2.gz PUFUCZXEUUMZCX-OAHLLOKOSA-N 0 0 411.483 4.132 20 5 HIBDRN COc1cccc(N2CCC[C@H](NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)c1 ZINC000463698202 876818177 /nfs/dbraw/zinc/81/81/77/876818177.db2.gz BONGZPLCCPNVSN-AWEZNQCLSA-N 0 0 423.391 4.021 20 5 HIBDRN COc1ccc(-c2ccc(CNc3cc4c(cc3OC)CCC(=O)N4)o2)c([N+](=O)[O-])c1 ZINC000463710311 876829203 /nfs/dbraw/zinc/82/92/03/876829203.db2.gz XDKPISDAKSVISI-UHFFFAOYSA-N 0 0 423.425 4.369 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463726092 876846813 /nfs/dbraw/zinc/84/68/13/876846813.db2.gz DCTHZMYGJNOCHO-CQSZACIVSA-N 0 0 411.355 4.152 20 5 HIBDRN C[C@H](CC(F)(F)F)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000463745773 876868925 /nfs/dbraw/zinc/86/89/25/876868925.db2.gz LXQPDAUIVNDTLH-LLVKDONJSA-N 0 0 403.382 4.148 20 5 HIBDRN CN(C(=O)COc1c(F)cccc1[N+](=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000463802767 876920313 /nfs/dbraw/zinc/92/03/13/876920313.db2.gz UZTQUFLVKNWFGE-OAQYLSRUSA-N 0 0 412.392 4.500 20 5 HIBDRN CCCN(CCc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000463849556 876971561 /nfs/dbraw/zinc/97/15/61/876971561.db2.gz JKSVVPVDKCXSDW-UHFFFAOYSA-N 0 0 422.450 4.319 20 5 HIBDRN C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Oc1ccc(F)cc1 ZINC000463949576 877070751 /nfs/dbraw/zinc/07/07/51/877070751.db2.gz RGHBKOBAHXUEHC-LBPRGKRZSA-N 0 0 401.419 4.055 20 5 HIBDRN C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Oc1ccc(F)cc1 ZINC000463949575 877071079 /nfs/dbraw/zinc/07/10/79/877071079.db2.gz RGHBKOBAHXUEHC-GFCCVEGCSA-N 0 0 401.419 4.055 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000463956338 877078901 /nfs/dbraw/zinc/07/89/01/877078901.db2.gz YKMZXWWHOZYCBJ-CQSZACIVSA-N 0 0 424.379 4.311 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000463957252 877079675 /nfs/dbraw/zinc/07/96/75/877079675.db2.gz BXPUYRZBMNFIKK-UHFFFAOYSA-N 0 0 413.409 4.155 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000463957340 877080257 /nfs/dbraw/zinc/08/02/57/877080257.db2.gz HABYNIZXSHMDNZ-UHFFFAOYSA-N 0 0 413.474 4.229 20 5 HIBDRN CCc1nc2ccc(Cl)cn2c1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000463958422 877081702 /nfs/dbraw/zinc/08/17/02/877081702.db2.gz KZBGYMHSTAOHQD-IBGZPJMESA-N 0 0 416.890 4.346 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000463962121 877086411 /nfs/dbraw/zinc/08/64/11/877086411.db2.gz CZJJOTSHTUPVCY-KRWDZBQOSA-N 0 0 410.434 4.175 20 5 HIBDRN Cc1ccc([C@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000464011967 877146477 /nfs/dbraw/zinc/14/64/77/877146477.db2.gz PCLJJWHXQKBPQD-JOCHJYFZSA-N 0 0 417.465 4.364 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000464017782 877151475 /nfs/dbraw/zinc/15/14/75/877151475.db2.gz SMAGLAWCQWQJTD-MRXNPFEDSA-N 0 0 424.482 4.124 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000464022057 877157495 /nfs/dbraw/zinc/15/74/95/877157495.db2.gz 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O=[N+]([O-])c1ccc(CCS(=O)(=O)N(Cc2ccc3ccccc3c2)C2CC2)cc1 ZINC000503456200 912482724 /nfs/dbraw/zinc/48/27/24/912482724.db2.gz KYODSFWXNJLTSY-UHFFFAOYSA-N 0 0 410.495 4.285 20 5 HIBDRN Cc1cccnc1[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000466023242 879709646 /nfs/dbraw/zinc/70/96/46/879709646.db2.gz RFUYFRQQQQCGCB-HXUWFJFHSA-N 0 0 412.490 4.248 20 5 HIBDRN Cc1c(NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)cccc1[N+](=O)[O-] ZINC000466074122 879780801 /nfs/dbraw/zinc/78/08/01/879780801.db2.gz DVVZURFIQVBSTR-UHFFFAOYSA-N 0 0 418.759 4.171 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H](C)CCc2ccc(C)o2)c([N+](=O)[O-])cc1OCC ZINC000466199327 879891337 /nfs/dbraw/zinc/89/13/37/879891337.db2.gz LANQUNDNTXQQLP-ZDUSSCGKSA-N 0 0 405.451 4.436 20 5 HIBDRN C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ncc(-c2ccccc2)o1 ZINC000466213056 879903552 /nfs/dbraw/zinc/90/35/52/879903552.db2.gz ZAIAFLZTVUZVSO-GFCCVEGCSA-N 0 0 400.822 4.464 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCc2n[nH]cc2C1 ZINC000466227989 879929376 /nfs/dbraw/zinc/92/93/76/879929376.db2.gz UGSZFDHQGICBEE-UHFFFAOYSA-N 0 0 414.874 4.321 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000466267106 880000827 /nfs/dbraw/zinc/00/08/27/880000827.db2.gz YACRGESXICUVSL-MRXNPFEDSA-N 0 0 423.494 4.019 20 5 HIBDRN CC[C@@H]1Cc2ccccc2CN1C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000466289539 880032940 /nfs/dbraw/zinc/03/29/40/880032940.db2.gz VOLHXPVCWWQHRD-GOSISDBHSA-N 0 0 400.500 4.200 20 5 HIBDRN C[C@H](Oc1ccccc1Br)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466288570 880033369 /nfs/dbraw/zinc/03/33/69/880033369.db2.gz LPDBDHALQUBIDV-JTQLQIEISA-N 0 0 413.655 4.094 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)ccc1[N+](=O)[O-] ZINC000466291929 880036425 /nfs/dbraw/zinc/03/64/25/880036425.db2.gz WGUZZDIHOLCRKF-OAHLLOKOSA-N 0 0 423.238 4.482 20 5 HIBDRN O=C(COc1ccc(Cl)c2cccnc12)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466296156 880042626 /nfs/dbraw/zinc/04/26/26/880042626.db2.gz ITRUVGTYDAEZJT-UHFFFAOYSA-N 0 0 406.225 4.145 20 5 HIBDRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466302323 880050812 /nfs/dbraw/zinc/05/08/12/880050812.db2.gz FCUIYJHNMHVVSE-UHFFFAOYSA-N 0 0 418.812 4.076 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000466320333 880074986 /nfs/dbraw/zinc/07/49/86/880074986.db2.gz ZPBRQAFJTVWEJT-MRXNPFEDSA-N 0 0 412.776 4.063 20 5 HIBDRN Cc1c(CC(=O)NCc2cc3cc(Br)ccc3[nH]2)cccc1[N+](=O)[O-] ZINC000466332095 880085902 /nfs/dbraw/zinc/08/59/02/880085902.db2.gz ZSDSXDBSBHTZEG-UHFFFAOYSA-N 0 0 402.248 4.006 20 5 HIBDRN COc1ccc(-c2cncc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000466339150 880094626 /nfs/dbraw/zinc/09/46/26/880094626.db2.gz ACKQNDOKQDUKJB-UHFFFAOYSA-N 0 0 415.409 4.103 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc([C@@H]3CCOC3)no2)ccc1NCc1ccccc1Cl ZINC000466360399 880119119 /nfs/dbraw/zinc/11/91/19/880119119.db2.gz CVHCZEOAYFEERB-CQSZACIVSA-N 0 0 400.822 4.414 20 5 HIBDRN O=C(NCc1cc2cc(Br)ccc2[nH]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000466387067 880148379 /nfs/dbraw/zinc/14/83/79/880148379.db2.gz HPVUPPLWIVCWLZ-UHFFFAOYSA-N 0 0 408.639 4.422 20 5 HIBDRN CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000466391274 880152635 /nfs/dbraw/zinc/15/26/35/880152635.db2.gz XZYSLNCYZJTBSJ-UHFFFAOYSA-N 0 0 404.785 4.102 20 5 HIBDRN CC[C@@](C)(NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(=O)OC ZINC000466433615 880208568 /nfs/dbraw/zinc/20/85/68/880208568.db2.gz DGNRPCSYMRSDGE-LJQANCHMSA-N 0 0 422.890 4.471 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000466448712 880226460 /nfs/dbraw/zinc/22/64/60/880226460.db2.gz ILJCAUOSAMUULN-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000466506430 880281771 /nfs/dbraw/zinc/28/17/71/880281771.db2.gz SXCXLLXADGLMAR-GFCCVEGCSA-N 0 0 403.460 4.071 20 5 HIBDRN CCn1ncc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1C(F)(F)F ZINC000466508833 880283268 /nfs/dbraw/zinc/28/32/68/880283268.db2.gz RCYREXZPALETHC-UHFFFAOYSA-N 0 0 411.365 4.206 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(COc2ccccc2OC)o1 ZINC000466514401 880289567 /nfs/dbraw/zinc/28/95/67/880289567.db2.gz LQGXDUZXJDUTJC-UHFFFAOYSA-N 0 0 412.398 4.426 20 5 HIBDRN CCn1ncc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1C(F)(F)F ZINC000466517807 880293997 /nfs/dbraw/zinc/29/39/97/880293997.db2.gz KMOROVUFWICORB-UHFFFAOYSA-N 0 0 421.173 4.153 20 5 HIBDRN Cc1c(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])cnn1C ZINC000466536477 880310736 /nfs/dbraw/zinc/31/07/36/880310736.db2.gz OUSNGOPZGCTZDP-UHFFFAOYSA-N 0 0 416.890 4.371 20 5 HIBDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503511114 912555798 /nfs/dbraw/zinc/55/57/98/912555798.db2.gz XVILHHXAJBAEDK-CYBMUJFWSA-N 0 0 416.421 4.179 20 5 HIBDRN O=C(NCc1cc(F)cc(Br)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466560346 880334296 /nfs/dbraw/zinc/33/42/96/880334296.db2.gz YQVRFVBHWNFSHJ-UHFFFAOYSA-N 0 0 416.634 4.149 20 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ZINC000466769295 880549629 /nfs/dbraw/zinc/54/96/29/880549629.db2.gz TYIDPZBBMYUFDM-UHFFFAOYSA-N 0 0 418.356 4.481 20 5 HIBDRN COc1cccc(C(=O)N2CCC(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000466787985 880567357 /nfs/dbraw/zinc/56/73/57/880567357.db2.gz HVNXLGSAOCPFAQ-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN COc1cc(C(=O)N2CCc3ccccc3[C@@]2(C)C(F)(F)F)cc([N+](=O)[O-])c1OC ZINC000466790147 880569130 /nfs/dbraw/zinc/56/91/30/880569130.db2.gz SAXAOTHNYPDKSK-IBGZPJMESA-N 0 0 424.375 4.088 20 5 HIBDRN CSc1ccc(F)cc1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000466809629 880585907 /nfs/dbraw/zinc/58/59/07/880585907.db2.gz QFWGAZIJLYUBMX-UHFFFAOYSA-N 0 0 419.478 4.209 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@@]3(C)CCO[C@H]3C3CC3)cc2[N+](=O)[O-])C1 ZINC000466830184 880600269 /nfs/dbraw/zinc/60/02/69/880600269.db2.gz CQSBCVNGLWATNK-ZTAAAQKDSA-N 0 0 415.534 4.012 20 5 HIBDRN COC[C@H]1CCCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000466851414 880622022 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410.448 4.401 20 5 HIBDRN O=C(Nc1cc(Br)c(F)cc1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000467017281 880820540 /nfs/dbraw/zinc/82/05/40/880820540.db2.gz QKYSRFDMTJPNOM-UHFFFAOYSA-N 0 0 408.158 4.436 20 5 HIBDRN CC(C)CO[C@@H](C)c1noc(CN(C)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000467029585 880828408 /nfs/dbraw/zinc/82/84/08/880828408.db2.gz VXHGAHZSIBZQQD-NSHDSACASA-N 0 0 413.272 4.110 20 5 HIBDRN CC(=O)Nc1ccc(C)c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000467067656 880849526 /nfs/dbraw/zinc/84/95/26/880849526.db2.gz FGKKQRKQCXIYEL-UHFFFAOYSA-N 0 0 421.403 4.479 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000467076375 880852120 /nfs/dbraw/zinc/85/21/20/880852120.db2.gz UYWSWIHCYBCARE-UHFFFAOYSA-N 0 0 420.307 4.335 20 5 HIBDRN Cc1sc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000467078752 880852912 /nfs/dbraw/zinc/85/29/12/880852912.db2.gz KEDVZMYNMNNMQU-GFCCVEGCSA-N 0 0 403.485 4.066 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000467088355 880855734 /nfs/dbraw/zinc/85/57/34/880855734.db2.gz BNBIGPVWERQQDZ-UHFFFAOYSA-N 0 0 404.854 4.052 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1nc2c(ccc3ccccc23)s1 ZINC000467101508 880863470 /nfs/dbraw/zinc/86/34/70/880863470.db2.gz NOFKDLPXHRHGDX-UHFFFAOYSA-N 0 0 421.434 4.310 20 5 HIBDRN O=C(NCC1(c2ccc(Br)cc2)CCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467106222 880865957 /nfs/dbraw/zinc/86/59/57/880865957.db2.gz ITKQNYYCBZFHPC-UHFFFAOYSA-N 0 0 407.239 4.348 20 5 HIBDRN COCc1ccc([C@@H]2CCCN2[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000467119675 880875913 /nfs/dbraw/zinc/87/59/13/880875913.db2.gz BTENYSATGPWOET-PXAZEXFGSA-N 0 0 407.854 4.152 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000467146663 880886394 /nfs/dbraw/zinc/88/63/94/880886394.db2.gz FYVJQSOBFUIIPV-UHFFFAOYSA-N 0 0 423.256 4.116 20 5 HIBDRN COc1ccc(C2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000467176313 880904764 /nfs/dbraw/zinc/90/47/64/880904764.db2.gz 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COCc1ccc([C@H]2CCCN2C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000467213092 880942701 /nfs/dbraw/zinc/94/27/01/880942701.db2.gz LXYYGPJYXMVGKF-MRXNPFEDSA-N 0 0 407.854 4.077 20 5 HIBDRN C[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000467219179 880948016 /nfs/dbraw/zinc/94/80/16/880948016.db2.gz SFDBWMXEMKBLID-KZULUSFZSA-N 0 0 407.829 4.059 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000467221822 880951453 /nfs/dbraw/zinc/95/14/53/880951453.db2.gz DNMATQFLGUXSTM-QGZVFWFLSA-N 0 0 410.257 4.185 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467225055 880954435 /nfs/dbraw/zinc/95/44/35/880954435.db2.gz ZOUKJAVWZTUBNZ-GOSISDBHSA-N 0 0 419.865 4.130 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000467227065 880955938 /nfs/dbraw/zinc/95/59/38/880955938.db2.gz DFOOVJBBJDPADL-IRXDYDNUSA-N 0 0 410.257 4.231 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(O[C@@H]2CCOC2)c1 ZINC000467427685 881219236 /nfs/dbraw/zinc/21/92/36/881219236.db2.gz MLDPJCNRMOWADX-OAHLLOKOSA-N 0 0 405.838 4.046 20 5 HIBDRN Cc1ccc([C@H](C)Nc2cnc(N3CCOCC3)c(Br)c2)cc1[N+](=O)[O-] ZINC000467439498 881240425 /nfs/dbraw/zinc/24/04/25/881240425.db2.gz VQUQYXPTICBNRX-ZDUSSCGKSA-N 0 0 421.295 4.070 20 5 HIBDRN CC[C@@H](Nc1cnc(N2CCOCC2)c(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000467443561 881246264 /nfs/dbraw/zinc/24/62/64/881246264.db2.gz CHXRBBKZVXBFCW-QGZVFWFLSA-N 0 0 421.295 4.152 20 5 HIBDRN CC[C@@H](O)CCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000467481951 881302323 /nfs/dbraw/zinc/30/23/23/881302323.db2.gz URBOLQIAXCEXQG-OAHLLOKOSA-N 0 0 422.865 4.330 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3cc(C)[nH]n3)cc2)cc1OC ZINC000469060733 883135595 /nfs/dbraw/zinc/13/55/95/883135595.db2.gz QQWBKMGXVWXMFT-UHFFFAOYSA-N 0 0 412.402 4.078 20 5 HIBDRN COc1cc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000469061393 883137193 /nfs/dbraw/zinc/13/71/93/883137193.db2.gz VHJBKJCCRPJASE-UHFFFAOYSA-N 0 0 424.525 4.118 20 5 HIBDRN Cc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1-c1c(F)cccc1F ZINC000469078319 883163997 /nfs/dbraw/zinc/16/39/97/883163997.db2.gz UWKWPQULTHMENB-UHFFFAOYSA-N 0 0 412.396 4.172 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469108577 883200877 /nfs/dbraw/zinc/20/08/77/883200877.db2.gz XIQWNQKXWHHBMO-CHWSQXEVSA-N 0 0 407.854 4.101 20 5 HIBDRN Cn1cc(Nc2cccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c2)cn1 ZINC000469133742 883230519 /nfs/dbraw/zinc/23/05/19/883230519.db2.gz XINPFQYIHDWUGW-UHFFFAOYSA-N 0 0 420.454 4.448 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000469168453 883266114 /nfs/dbraw/zinc/26/61/14/883266114.db2.gz XXNBYAHCNGXRJU-UHFFFAOYSA-N 0 0 422.407 4.166 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000469304753 883402991 /nfs/dbraw/zinc/40/29/91/883402991.db2.gz ZXJACRHJMMKOLC-NEPJUHHUSA-N 0 0 422.279 4.044 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@H](C)c4cccc(O)c43)cc2)c(C)c1[N+](=O)[O-] ZINC000469314790 883416055 /nfs/dbraw/zinc/41/60/55/883416055.db2.gz XBJIRQLTTZILOQ-AWEZNQCLSA-N 0 0 420.469 4.316 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469391456 883543317 /nfs/dbraw/zinc/54/33/17/883543317.db2.gz RDAZFDHGVAAJLL-MRXNPFEDSA-N 0 0 403.429 4.395 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469391400 883543424 /nfs/dbraw/zinc/54/34/24/883543424.db2.gz QQJHXYZJTKXOIY-UHFFFAOYSA-N 0 0 417.412 4.271 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469391455 883543615 /nfs/dbraw/zinc/54/36/15/883543615.db2.gz RDAZFDHGVAAJLL-INIZCTEOSA-N 0 0 403.429 4.395 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469397239 883557682 /nfs/dbraw/zinc/55/76/82/883557682.db2.gz HZSYMHKGOUANPO-ZDUSSCGKSA-N 0 0 409.820 4.268 20 5 HIBDRN CCCOc1cc(NC(=O)N(C)CC2CCOCC2)c([N+](=O)[O-])cc1OCCC ZINC000503626176 912725430 /nfs/dbraw/zinc/72/54/30/912725430.db2.gz GEEDBFUAUVIJFU-UHFFFAOYSA-N 0 0 409.483 4.063 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469445330 883641097 /nfs/dbraw/zinc/64/10/97/883641097.db2.gz AKUAQGJVYRMINO-AWEZNQCLSA-N 0 0 401.413 4.379 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)C2 ZINC000469454790 883658986 /nfs/dbraw/zinc/65/89/86/883658986.db2.gz NWIWDMZUMXZHAA-QHCPKHFHSA-N 0 0 418.449 4.308 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)cc1Br ZINC000469482142 883713440 /nfs/dbraw/zinc/71/34/40/883713440.db2.gz PSWYRJDBPUXOCJ-UHFFFAOYSA-N 0 0 417.263 4.153 20 5 HIBDRN CC(C)[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000469515199 883776964 /nfs/dbraw/zinc/77/69/64/883776964.db2.gz ITIUKCRSJIVMJG-OAQYLSRUSA-N 0 0 409.530 4.442 20 5 HIBDRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000469534909 883804490 /nfs/dbraw/zinc/80/44/90/883804490.db2.gz GDRZYDKTRYZXRW-UHFFFAOYSA-N 0 0 421.375 4.175 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000469876056 884066499 /nfs/dbraw/zinc/06/64/99/884066499.db2.gz PGJPMJVNRKDURI-UHFFFAOYSA-N 0 0 400.435 4.477 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(-c2nc(C)co2)ccc1C ZINC000469879977 884070602 /nfs/dbraw/zinc/07/06/02/884070602.db2.gz IDOKSEPMWXBESP-CQSZACIVSA-N 0 0 410.430 4.314 20 5 HIBDRN CO[C@@H]1CN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000469893404 884083904 /nfs/dbraw/zinc/08/39/04/884083904.db2.gz OICDRVFTIALLFY-XHDPSFHLSA-N 0 0 407.517 4.008 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000469896808 884087952 /nfs/dbraw/zinc/08/79/52/884087952.db2.gz BNHJHLVDKCOCPD-SMDDNHRTSA-N 0 0 424.226 4.183 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)s1 ZINC000469899965 884091058 /nfs/dbraw/zinc/09/10/58/884091058.db2.gz USUHSWASCQZLMR-UHFFFAOYSA-N 0 0 411.418 4.154 20 5 HIBDRN Cc1c(Br)cc(C(=O)NCCC2CC(OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000469997652 884214822 /nfs/dbraw/zinc/21/48/22/884214822.db2.gz BMWYKSJEUNZDHU-UHFFFAOYSA-N 0 0 413.312 4.379 20 5 HIBDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000470055763 884305328 /nfs/dbraw/zinc/30/53/28/884305328.db2.gz KFAUNSHXPJCGEN-LBPRGKRZSA-N 0 0 409.202 4.089 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000470075053 884331476 /nfs/dbraw/zinc/33/14/76/884331476.db2.gz LCVKUXAEJVFARD-RHSMWYFYSA-N 0 0 414.483 4.078 20 5 HIBDRN O=C(c1cc(Br)cc2nc[nH]c21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000503752046 912815682 /nfs/dbraw/zinc/81/56/82/912815682.db2.gz ZANQNUQXNWMHDQ-UHFFFAOYSA-N 0 0 415.247 4.038 20 5 HIBDRN Cc1coc(-c2ccc(C)c(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)c2)n1 ZINC000470101519 884360937 /nfs/dbraw/zinc/36/09/37/884360937.db2.gz UBCXWAZTUJUKOP-UHFFFAOYSA-N 0 0 403.398 4.305 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1-n1cccn1 ZINC000470107237 884365634 /nfs/dbraw/zinc/36/56/34/884365634.db2.gz YHHOSQXOLQYYOJ-LBPRGKRZSA-N 0 0 415.247 4.034 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)cccc1[N+](=O)[O-] ZINC000503757542 912816957 /nfs/dbraw/zinc/81/69/57/912816957.db2.gz KYLCOWYSXODCRJ-CYBMUJFWSA-N 0 0 410.199 4.060 20 5 HIBDRN O=C(NCC1(c2ccccc2Cl)CCOCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470143747 884410537 /nfs/dbraw/zinc/41/05/37/884410537.db2.gz UFEVJRQOLXSKCH-UHFFFAOYSA-N 0 0 407.829 4.257 20 5 HIBDRN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470147468 884414472 /nfs/dbraw/zinc/41/44/72/884414472.db2.gz FNPKYBGQSXMCFK-UHFFFAOYSA-N 0 0 400.341 4.382 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000470151008 884419684 /nfs/dbraw/zinc/41/96/84/884419684.db2.gz FVUWGRAQLSJYRX-GFCCVEGCSA-N 0 0 404.467 4.481 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CC(=O)Nc1ccccc1Br ZINC000470170654 884450333 /nfs/dbraw/zinc/45/03/33/884450333.db2.gz YNUALNVRBDZUBP-GXDHUFHOSA-N 0 0 418.291 4.331 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(CCOc2ccccc2Cl)CC1 ZINC000470178235 884461286 /nfs/dbraw/zinc/46/12/86/884461286.db2.gz JDZXPGRPQBYTFO-OBGWFSINSA-N 0 0 415.921 4.348 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000470196055 884504506 /nfs/dbraw/zinc/50/45/06/884504506.db2.gz WYHBOLGBNTWMRF-IIYDPXPESA-N 0 0 400.460 4.229 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000470202652 884517732 /nfs/dbraw/zinc/51/77/32/884517732.db2.gz KHCDMIACLBWIIO-UHFFFAOYSA-N 0 0 404.291 4.439 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000470250538 884584896 /nfs/dbraw/zinc/58/48/96/884584896.db2.gz MRTNYEMKHYLRPA-YSSFQJQWSA-N 0 0 400.500 4.420 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000470267965 884618286 /nfs/dbraw/zinc/61/82/86/884618286.db2.gz UUSUHCNPXVUGRY-ZWKOTPCHSA-N 0 0 419.275 4.316 20 5 HIBDRN Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000470306173 884681228 /nfs/dbraw/zinc/68/12/28/884681228.db2.gz CNPKEPGXPAPIDA-HNNXBMFYSA-N 0 0 424.375 4.027 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCc2c(Br)cccc2C1 ZINC000503893343 912854224 /nfs/dbraw/zinc/85/42/24/912854224.db2.gz NCLHQLUSDUSMEZ-UHFFFAOYSA-N 0 0 418.291 4.134 20 5 HIBDRN Cc1sc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)nc1-c1c[nH]c2ncccc12 ZINC000503896875 912855008 /nfs/dbraw/zinc/85/50/08/912855008.db2.gz FJOWVHVYAGRELE-UHFFFAOYSA-N 0 0 419.426 4.032 20 5 HIBDRN CC(C)c1noc(-c2ccc(NC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)cc2)n1 ZINC000470346561 884735684 /nfs/dbraw/zinc/73/56/84/884735684.db2.gz QQGARPFIPCQNRN-UHFFFAOYSA-N 0 0 423.429 4.063 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000470347256 884737100 /nfs/dbraw/zinc/73/71/00/884737100.db2.gz OMOJLPCDPRBKLZ-INIZCTEOSA-N 0 0 418.443 4.449 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000470380071 884779868 /nfs/dbraw/zinc/77/98/68/884779868.db2.gz STXUFBBZDZEHNU-CYBMUJFWSA-N 0 0 408.838 4.070 20 5 HIBDRN Cc1cnccc1OC1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000470381697 884782766 /nfs/dbraw/zinc/78/27/66/884782766.db2.gz HRUNVTRJPNMBSW-UHFFFAOYSA-N 0 0 424.482 4.105 20 5 HIBDRN Cc1coc(-c2cc(NC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)ccc2C)n1 ZINC000470415746 884818729 /nfs/dbraw/zinc/81/87/29/884818729.db2.gz TWXKMHRXLIINND-UHFFFAOYSA-N 0 0 408.414 4.162 20 5 HIBDRN Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1C(=O)N(C)C(C)C ZINC000470465239 884859111 /nfs/dbraw/zinc/85/91/11/884859111.db2.gz LWJLYMRNSQMQHH-UHFFFAOYSA-N 0 0 408.458 4.046 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470492557 884879051 /nfs/dbraw/zinc/87/90/51/884879051.db2.gz FVPPVUQYCWFJEG-UHFFFAOYSA-N 0 0 410.455 4.322 20 5 HIBDRN Cc1c(CC(=O)N[C@H]2CSc3ccc(Br)cc32)cccc1[N+](=O)[O-] ZINC000470528364 884924241 /nfs/dbraw/zinc/92/42/41/884924241.db2.gz UZDHWHPKSITUEL-AWEZNQCLSA-N 0 0 407.289 4.171 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CNc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F ZINC000470555980 884970481 /nfs/dbraw/zinc/97/04/81/884970481.db2.gz LKQHPYHDTRYGMI-UHFFFAOYSA-N 0 0 419.363 4.212 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000470652793 885074389 /nfs/dbraw/zinc/07/43/89/885074389.db2.gz FDWYRCVZYFWIEN-VIFPVBQESA-N 0 0 405.423 4.209 20 5 HIBDRN Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470703721 885141894 /nfs/dbraw/zinc/14/18/94/885141894.db2.gz DRUJYOIKERWJRC-UHFFFAOYSA-N 0 0 419.368 4.095 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000470708750 885147301 /nfs/dbraw/zinc/14/73/01/885147301.db2.gz DGHUDKGEZJOYDI-DPZKZMLUSA-N 0 0 400.406 4.198 20 5 HIBDRN C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@H](c2ccsc2)O1 ZINC000470742799 885204617 /nfs/dbraw/zinc/20/46/17/885204617.db2.gz AUSNGHMBPJKJSY-KSFYIVLOSA-N 0 0 418.518 4.205 20 5 HIBDRN O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCCC2(CCCCC2)CC1 ZINC000470771214 885235728 /nfs/dbraw/zinc/23/57/28/885235728.db2.gz FGNSNOUQFPKOKO-UHFFFAOYSA-N 0 0 401.507 4.008 20 5 HIBDRN C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1-n1cccn1 ZINC000470793296 885273290 /nfs/dbraw/zinc/27/32/90/885273290.db2.gz PGNICSSAHFUTAU-LBPRGKRZSA-N 0 0 417.372 4.265 20 5 HIBDRN Cc1cc(NCCSCCOc2cccc(Br)c2)ncc1[N+](=O)[O-] ZINC000470864217 885354348 /nfs/dbraw/zinc/35/43/48/885354348.db2.gz MUAKCSPSVOFCKM-UHFFFAOYSA-N 0 0 412.309 4.285 20 5 HIBDRN Cc1cc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000470863720 885354751 /nfs/dbraw/zinc/35/47/51/885354751.db2.gz WMLUREKOKDMUPP-UHFFFAOYSA-N 0 0 424.451 4.488 20 5 HIBDRN COc1cccc(-n2c(=O)c3ccccc3nc2Sc2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000470872856 885362390 /nfs/dbraw/zinc/36/23/90/885362390.db2.gz VTDVYVULSKBVMD-UHFFFAOYSA-N 0 0 420.450 4.157 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000470890175 885385274 /nfs/dbraw/zinc/38/52/74/885385274.db2.gz BNRDWBZTQFYCIF-UHFFFAOYSA-N 0 0 410.455 4.495 20 5 HIBDRN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470890973 885386738 /nfs/dbraw/zinc/38/67/38/885386738.db2.gz FKRXTJKZMZCWHL-UHFFFAOYSA-N 0 0 413.817 4.115 20 5 HIBDRN CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)Cn3ccc([N+](=O)[O-])n3)c2)cc1 ZINC000470893047 885388570 /nfs/dbraw/zinc/38/85/70/885388570.db2.gz QLACTVZGAVVPLB-QGZVFWFLSA-N 0 0 422.485 4.465 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(OC)cc1OC1CCCC1 ZINC000470970950 885471268 /nfs/dbraw/zinc/47/12/68/885471268.db2.gz IGHOUNMHLRPRBC-UHFFFAOYSA-N 0 0 414.458 4.254 20 5 HIBDRN O=C(CCc1cnc2ccccc2c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000470976188 885475948 /nfs/dbraw/zinc/47/59/48/885475948.db2.gz PGKINDFOFPTUAO-UHFFFAOYSA-N 0 0 405.454 4.146 20 5 HIBDRN CO[C@@H](C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1CC1 ZINC000470983023 885484830 /nfs/dbraw/zinc/48/48/30/885484830.db2.gz ICHJLULEKPJWDW-GOSISDBHSA-N 0 0 408.813 4.221 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1 ZINC000470992684 885494599 /nfs/dbraw/zinc/49/45/99/885494599.db2.gz MFDYXLPWXZEHRI-UHFFFAOYSA-N 0 0 409.398 4.442 20 5 HIBDRN Cc1ccc([C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccccn2)cc1 ZINC000471074578 885595319 /nfs/dbraw/zinc/59/53/19/885595319.db2.gz MGSSMCWLPITHOW-NRFANRHFSA-N 0 0 401.426 4.227 20 5 HIBDRN Cc1ccc([C@@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccccn2)cc1 ZINC000471074579 885596381 /nfs/dbraw/zinc/59/63/81/885596381.db2.gz MGSSMCWLPITHOW-OAQYLSRUSA-N 0 0 401.426 4.227 20 5 HIBDRN COc1cc(C(=O)NC[C@@H]2CCCC2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471129945 885668666 /nfs/dbraw/zinc/66/86/66/885668666.db2.gz GPQVEOPRBUDDHV-ZDUSSCGKSA-N 0 0 418.833 4.148 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000471162130 885716790 /nfs/dbraw/zinc/71/67/90/885716790.db2.gz NYYKIJROUAHCRD-LLVKDONJSA-N 0 0 423.263 4.256 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000471205748 885778224 /nfs/dbraw/zinc/77/82/24/885778224.db2.gz WNCXSGBWRCSOTA-JOCHJYFZSA-N 0 0 404.470 4.418 20 5 HIBDRN CN(C)C(=O)c1ccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc1 ZINC000471209368 885781049 /nfs/dbraw/zinc/78/10/49/885781049.db2.gz ZNIZSVWXLFALRL-UHFFFAOYSA-N 0 0 422.466 4.095 20 5 HIBDRN CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cn1C ZINC000471252470 885830855 /nfs/dbraw/zinc/83/08/55/885830855.db2.gz KBNSWAXBNQRJFF-UHFFFAOYSA-N 0 0 409.398 4.155 20 5 HIBDRN CCOc1ccc(C2(CNC(=O)c3ccc(CC)c([N+](=O)[O-])c3)CCOCC2)cc1 ZINC000471263234 885842423 /nfs/dbraw/zinc/84/24/23/885842423.db2.gz YXOAVKWCLNIEAV-UHFFFAOYSA-N 0 0 412.486 4.034 20 5 HIBDRN O=C(COc1c(Cl)cccc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000471284995 885868023 /nfs/dbraw/zinc/86/80/23/885868023.db2.gz BVEXRJLNIQCRMS-OAHLLOKOSA-N 0 0 415.789 4.191 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1COc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000471293960 885880355 /nfs/dbraw/zinc/88/03/55/885880355.db2.gz XDUUVUPHMHKKQB-UHFFFAOYSA-N 0 0 420.347 4.178 20 5 HIBDRN Cc1cc(NC(=O)COc2c(Cl)cccc2[N+](=O)[O-])n(-c2ccc(C)cc2)n1 ZINC000471294729 885880466 /nfs/dbraw/zinc/88/04/66/885880466.db2.gz CTFCRUHZGDBDBD-UHFFFAOYSA-N 0 0 400.822 4.068 20 5 HIBDRN CCOc1cc(CN(C)C(=O)c2ccc(CC)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000471343256 885951608 /nfs/dbraw/zinc/95/16/08/885951608.db2.gz WQVGAMXTTVYYIL-UHFFFAOYSA-N 0 0 408.401 4.430 20 5 HIBDRN CCc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000471351894 885968761 /nfs/dbraw/zinc/96/87/61/885968761.db2.gz MPDORMDTVWRZHI-UHFFFAOYSA-N 0 0 401.850 4.299 20 5 HIBDRN COc1cccc([C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 ZINC000471447839 886119094 /nfs/dbraw/zinc/11/90/94/886119094.db2.gz XJMZVAHGHXTHAQ-QHCPKHFHSA-N 0 0 424.428 4.199 20 5 HIBDRN COc1cccc([C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 ZINC000471447838 886119511 /nfs/dbraw/zinc/11/95/11/886119511.db2.gz XJMZVAHGHXTHAQ-HSZRJFAPSA-N 0 0 424.428 4.199 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000471450249 886123674 /nfs/dbraw/zinc/12/36/74/886123674.db2.gz IQKTWRREARDYHV-UHFFFAOYSA-N 0 0 406.442 4.151 20 5 HIBDRN COc1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2OC)c1 ZINC000471453216 886127911 /nfs/dbraw/zinc/12/79/11/886127911.db2.gz RLAXBGYZWPTVDZ-OAQYLSRUSA-N 0 0 410.401 4.271 20 5 HIBDRN O=C(Nc1ccc(Br)cc1-c1nc(C2CC2)no1)c1ccc([N+](=O)[O-])o1 ZINC000471458382 886135854 /nfs/dbraw/zinc/13/58/54/886135854.db2.gz CZXPYMQMLUWALM-UHFFFAOYSA-N 0 0 419.191 4.130 20 5 HIBDRN C/C=C\c1ccc(OC[C@H](O)COc2ccc([N+](=O)[O-])c3ncccc23)c(OC)c1 ZINC000471469961 886160410 /nfs/dbraw/zinc/16/04/10/886160410.db2.gz FQUIAJLLFXNSOJ-OICCZTGUSA-N 0 0 410.426 4.003 20 5 HIBDRN COc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000471480547 886177594 /nfs/dbraw/zinc/17/75/94/886177594.db2.gz NEQASASVXPQKAH-JTQLQIEISA-N 0 0 411.277 4.485 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc2ncccc2c1 ZINC000471528422 886233308 /nfs/dbraw/zinc/23/33/08/886233308.db2.gz FRPMIELJBBQAMT-UHFFFAOYSA-N 0 0 418.375 4.280 20 5 HIBDRN CSc1ccc(C(=O)NCC2(CCOCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000471557912 886266790 /nfs/dbraw/zinc/26/67/90/886266790.db2.gz YLSDLVUVSXSPCC-UHFFFAOYSA-N 0 0 400.500 4.434 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000471572526 886282505 /nfs/dbraw/zinc/28/25/05/886282505.db2.gz UTUJJRIGKXWOHI-HXUWFJFHSA-N 0 0 400.475 4.164 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)OC(C)C ZINC000471572122 886283325 /nfs/dbraw/zinc/28/33/25/886283325.db2.gz SYEVHEBFTFSYAE-SFHVURJKSA-N 0 0 424.400 4.101 20 5 HIBDRN O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000504129496 913034235 /nfs/dbraw/zinc/03/42/35/913034235.db2.gz UWDUQQMRFIGAOQ-UHFFFAOYSA-N 0 0 408.748 4.288 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CC[C@H](COc4ccccc4)C3)cc2[N+](=O)[O-])CC1 ZINC000504128935 913034460 /nfs/dbraw/zinc/03/44/60/913034460.db2.gz RHTYVACVNNZREB-IBGZPJMESA-N 0 0 423.513 4.372 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2c3c(nn2C(C)C)CCC3)cc1[N+](=O)[O-] ZINC000471667608 886378390 /nfs/dbraw/zinc/37/83/90/886378390.db2.gz GQZALJMJEXOMPH-UHFFFAOYSA-N 0 0 407.268 4.184 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC000471672364 886383605 /nfs/dbraw/zinc/38/36/05/886383605.db2.gz VJCBJCHMYQAFPZ-ZDUSSCGKSA-N 0 0 401.463 4.065 20 5 HIBDRN Cc1ccc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1S(=O)(=O)N(C)C ZINC000512374260 921114306 /nfs/dbraw/zinc/11/43/06/921114306.db2.gz DYOZSDMXAKOGDY-UHFFFAOYSA-N 0 0 415.471 4.026 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-] ZINC000471687831 886397361 /nfs/dbraw/zinc/39/73/61/886397361.db2.gz KOHUXPOJDDDTEE-UHFFFAOYSA-N 0 0 408.414 4.324 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)NC[C@@H]3CCC[C@@H](O)C3)cc2[N+](=O)[O-])cc1 ZINC000504158769 913050754 /nfs/dbraw/zinc/05/07/54/913050754.db2.gz ZYRZYCPNZQPNIB-NVXWUHKLSA-N 0 0 400.500 4.335 20 5 HIBDRN COc1cccc(C=C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000471875392 886654976 /nfs/dbraw/zinc/65/49/76/886654976.db2.gz JMWVWNVPIIWUIN-UHFFFAOYSA-N 0 0 422.890 4.125 20 5 HIBDRN Cn1c(COc2ccc(Br)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000471891164 886673330 /nfs/dbraw/zinc/67/33/30/886673330.db2.gz WDIGHAUIUHMTAX-UHFFFAOYSA-N 0 0 423.654 4.385 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC1CCN(c2ccccc2)CC1 ZINC000471907665 886692102 /nfs/dbraw/zinc/69/21/02/886692102.db2.gz VANKNPKLXDVMOZ-UHFFFAOYSA-N 0 0 410.518 4.133 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000471936747 886734378 /nfs/dbraw/zinc/73/43/78/886734378.db2.gz LJRVJOYFVIABRJ-UHFFFAOYSA-N 0 0 424.478 4.383 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471989194 886816324 /nfs/dbraw/zinc/81/63/24/886816324.db2.gz RVUDWSMHTJYJCZ-VQIMIIECSA-N 0 0 404.417 4.057 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2ccccc2)nn1 ZINC000472004635 886829571 /nfs/dbraw/zinc/82/95/71/886829571.db2.gz APHSBBNTGTYYPW-UHFFFAOYSA-N 0 0 413.231 4.091 20 5 HIBDRN CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2ccccc2)nn1 ZINC000472010127 886833325 /nfs/dbraw/zinc/83/33/25/886833325.db2.gz VXJCPXORQMIDNR-UHFFFAOYSA-N 0 0 417.450 4.452 20 5 HIBDRN Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000472009899 886833395 /nfs/dbraw/zinc/83/33/95/886833395.db2.gz CEZCZBLPMMJVQX-UHFFFAOYSA-N 0 0 416.222 4.225 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)CC3CCOCC3)cc2[N+](=O)[O-])n1 ZINC000504206768 913086023 /nfs/dbraw/zinc/08/60/23/913086023.db2.gz ASZDFXOJNVAIPZ-UHFFFAOYSA-N 0 0 407.517 4.010 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2c(C)noc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000472030116 886851789 /nfs/dbraw/zinc/85/17/89/886851789.db2.gz RWMGSSFWSAMBCV-UHFFFAOYSA-N 0 0 413.455 4.439 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1csc(=O)[nH]1 ZINC000472159316 886957416 /nfs/dbraw/zinc/95/74/16/886957416.db2.gz QGMRTJXTZOQBLL-UHFFFAOYSA-N 0 0 423.809 4.272 20 5 HIBDRN O=C(Nc1ccnn1-c1cccc(F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000472253402 887063323 /nfs/dbraw/zinc/06/33/23/887063323.db2.gz CGPXABIVWJNAQQ-UHFFFAOYSA-N 0 0 424.310 4.113 20 5 HIBDRN COCCOc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000472339444 887174131 /nfs/dbraw/zinc/17/41/31/887174131.db2.gz TVCLACAFHDOFSY-LJQANCHMSA-N 0 0 422.890 4.161 20 5 HIBDRN O=C(c1ccc2nc(C(F)(F)F)cn2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000472368464 887205114 /nfs/dbraw/zinc/20/51/14/887205114.db2.gz NDMRXCWJKRFETK-UHFFFAOYSA-N 0 0 404.348 4.066 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000472374674 887214191 /nfs/dbraw/zinc/21/41/91/887214191.db2.gz PBDQRQGEGWTIHH-CYBMUJFWSA-N 0 0 421.457 4.273 20 5 HIBDRN 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ZINC000504616090 913370224 /nfs/dbraw/zinc/37/02/24/913370224.db2.gz XAYAEUIEWIPTJJ-OAHLLOKOSA-N 0 0 422.304 4.370 20 5 HIBDRN COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000474834897 889693229 /nfs/dbraw/zinc/69/32/29/889693229.db2.gz KIWUDPZGWNWJTR-HNNXBMFYSA-N 0 0 411.380 4.335 20 5 HIBDRN CN(Cc1nc2c(s1)CCCC2)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000474906173 889766102 /nfs/dbraw/zinc/76/61/02/889766102.db2.gz JGTRXIYEUKUQBV-UHFFFAOYSA-N 0 0 414.512 4.326 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c(C)c1 ZINC000474910077 889771630 /nfs/dbraw/zinc/77/16/30/889771630.db2.gz CJYZBWURYYLRBN-UHFFFAOYSA-N 0 0 404.488 4.353 20 5 HIBDRN COc1c(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])oc2ccccc21 ZINC000474921857 889782732 /nfs/dbraw/zinc/78/27/32/889782732.db2.gz FELVAGPHMJZRBN-UHFFFAOYSA-N 0 0 404.806 4.088 20 5 HIBDRN COc1c(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])oc2ccccc21 ZINC000474930561 889788857 /nfs/dbraw/zinc/78/88/57/889788857.db2.gz 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ZINC000476335263 891240409 /nfs/dbraw/zinc/24/04/09/891240409.db2.gz LDWITDNKNZELRM-UHFFFAOYSA-N 0 0 411.483 4.258 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000476388302 891303095 /nfs/dbraw/zinc/30/30/95/891303095.db2.gz CRJNWCSIZAAINZ-CYBMUJFWSA-N 0 0 410.499 4.431 20 5 HIBDRN CCCC1CCC(N(C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C(C)C)CC1 ZINC000504826062 913544467 /nfs/dbraw/zinc/54/44/67/913544467.db2.gz OUNRGSZTHVNZGJ-UHFFFAOYSA-N 0 0 403.479 4.099 20 5 HIBDRN Cc1cccc(-c2noc(SCC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000476462980 891374790 /nfs/dbraw/zinc/37/47/90/891374790.db2.gz UDWFHNULXUDKRZ-UHFFFAOYSA-N 0 0 412.471 4.097 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000476497078 891407716 /nfs/dbraw/zinc/40/77/16/891407716.db2.gz VVPPSFWKILXLBC-UHFFFAOYSA-N 0 0 410.434 4.007 20 5 HIBDRN CCCn1nccc1C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000504836466 913556859 /nfs/dbraw/zinc/55/68/59/913556859.db2.gz FACASUZXRXDDOV-UHFFFAOYSA-N 0 0 401.467 4.012 20 5 HIBDRN O=C(NC[C@@H]1CC[C@H](O)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000476551096 891467020 /nfs/dbraw/zinc/46/70/20/891467020.db2.gz RHGHSHISRPUIMK-OCCSQVGLSA-N 0 0 406.891 4.290 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)cc([N+](=O)[O-])c1 ZINC000504841261 913565011 /nfs/dbraw/zinc/56/50/11/913565011.db2.gz ZSVNEORYTFSWPE-UHFFFAOYSA-N 0 0 417.468 4.436 20 5 HIBDRN CCCc1c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cnn1-c1cccc(F)c1 ZINC000504846107 913571096 /nfs/dbraw/zinc/57/10/96/913571096.db2.gz LEZNGGYCJHIKOE-UHFFFAOYSA-N 0 0 408.393 4.001 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CC(C)(C)[C@H]3c3ccncc3)cc2[N+](=O)[O-])C1 ZINC000476681917 891632676 /nfs/dbraw/zinc/63/26/76/891632676.db2.gz RHWAGOXXRFERLL-HRAATJIYSA-N 0 0 408.502 4.449 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CC(C)(C)[C@H]3c3ccncc3)cc2[N+](=O)[O-])C1 ZINC000476681920 891633131 /nfs/dbraw/zinc/63/31/31/891633131.db2.gz RHWAGOXXRFERLL-IIBYNOLFSA-N 0 0 408.502 4.449 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CC(C)(C)[C@@H]3c3ccncc3)cc2[N+](=O)[O-])C1 ZINC000476681923 891633606 /nfs/dbraw/zinc/63/36/06/891633606.db2.gz RHWAGOXXRFERLL-KKSFZXQISA-N 0 0 408.502 4.449 20 5 HIBDRN Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000476695692 891651092 /nfs/dbraw/zinc/65/10/92/891651092.db2.gz CDFHZKWYKJQASY-HNNXBMFYSA-N 0 0 413.474 4.034 20 5 HIBDRN CCOc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000476799958 891783883 /nfs/dbraw/zinc/78/38/83/891783883.db2.gz DNYKFNHXKMPRFT-KYJSFNMBSA-N 0 0 418.490 4.109 20 5 HIBDRN COC1(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCCC1 ZINC000476818436 891803822 /nfs/dbraw/zinc/80/38/22/891803822.db2.gz DROHZMILPZLQTO-MRXNPFEDSA-N 0 0 412.490 4.242 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CN1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 ZINC000476823255 891807694 /nfs/dbraw/zinc/80/76/94/891807694.db2.gz RTCJZQRCYBYGBJ-UHFFFAOYSA-N 0 0 424.436 4.064 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000476868014 891830914 /nfs/dbraw/zinc/83/09/14/891830914.db2.gz ZQQPTKDMFAPULH-UHFFFAOYSA-N 0 0 412.442 4.307 20 5 HIBDRN CC(C)Oc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)c(C(F)(F)F)c1 ZINC000477067763 892001575 /nfs/dbraw/zinc/00/15/75/892001575.db2.gz NCQKYMSZWBKUAX-UHFFFAOYSA-N 0 0 414.355 4.399 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000477076366 892012209 /nfs/dbraw/zinc/01/22/09/892012209.db2.gz PRZVSQPAHDFGQR-UHFFFAOYSA-N 0 0 414.437 4.323 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000477095513 892029934 /nfs/dbraw/zinc/02/99/34/892029934.db2.gz SNSNYPLFYPSVBK-HXPMCKFVSA-N 0 0 403.866 4.329 20 5 HIBDRN COc1c(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3F)s2)cccc1[N+](=O)[O-] ZINC000477095939 892030078 /nfs/dbraw/zinc/03/00/78/892030078.db2.gz IMXUWEKVLZHXCF-UHFFFAOYSA-N 0 0 419.409 4.490 20 5 HIBDRN COc1ccc(Cl)cc1-c1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)n[nH]1 ZINC000477111234 892042313 /nfs/dbraw/zinc/04/23/13/892042313.db2.gz XQAGZQFJAILGSO-UHFFFAOYSA-N 0 0 411.805 4.381 20 5 HIBDRN CCc1[nH]nc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1-c1ccc2c(c1)OCO2 ZINC000477133271 892061954 /nfs/dbraw/zinc/06/19/54/892061954.db2.gz LQPJTPITSVZYOU-UHFFFAOYSA-N 0 0 419.397 4.010 20 5 HIBDRN Cc1nc([C@@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c2ccc(Cl)cc2)no1 ZINC000477191953 892115169 /nfs/dbraw/zinc/11/51/69/892115169.db2.gz UCRUAOMKCZOKGD-KRWDZBQOSA-N 0 0 415.837 4.468 20 5 HIBDRN Cc1cccc(C(=O)NCc2cc(Br)ccc2OC(F)F)c1[N+](=O)[O-] ZINC000504898578 913629670 /nfs/dbraw/zinc/62/96/70/913629670.db2.gz UZBLKBONKILEGH-UHFFFAOYSA-N 0 0 415.190 4.197 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000477207596 892138189 /nfs/dbraw/zinc/13/81/89/892138189.db2.gz NJFZXJOSHFVEEO-UHFFFAOYSA-N 0 0 401.850 4.225 20 5 HIBDRN CCOc1ccc([C@@H](C)NCc2cn3cc(Br)ccc3n2)cc1[N+](=O)[O-] ZINC000504905041 913638638 /nfs/dbraw/zinc/63/86/38/913638638.db2.gz BCBLMUZYQITXAE-GFCCVEGCSA-N 0 0 419.279 4.255 20 5 HIBDRN CC(C)c1nnc([C@H](C)NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[nH]1 ZINC000477312846 892276710 /nfs/dbraw/zinc/27/67/10/892276710.db2.gz YTJDLBNUYCZBQQ-ZDUSSCGKSA-N 0 0 411.487 4.479 20 5 HIBDRN O=c1c(Br)cn(CCCOc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000477392836 892349047 /nfs/dbraw/zinc/34/90/47/892349047.db2.gz NVSULKKMKQFPRX-UHFFFAOYSA-N 0 0 403.232 4.141 20 5 HIBDRN Cc1nc(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)oc1-c1ccc(Cl)cc1 ZINC000477404227 892357099 /nfs/dbraw/zinc/35/70/99/892357099.db2.gz XIWIHCUOZCSUHF-UHFFFAOYSA-N 0 0 424.638 4.184 20 5 HIBDRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000504920845 913656226 /nfs/dbraw/zinc/65/62/26/913656226.db2.gz TWYIQWPRRYESFS-QGZVFWFLSA-N 0 0 419.275 4.272 20 5 HIBDRN O=c1c(Br)cn(CCCSc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000477426024 892379173 /nfs/dbraw/zinc/37/91/73/892379173.db2.gz URQYXWPARIRNNU-UHFFFAOYSA-N 0 0 403.685 4.355 20 5 HIBDRN O=C(Nc1cccc2c1OCCC2=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000504939220 913679299 /nfs/dbraw/zinc/67/92/99/913679299.db2.gz NIERTXVKGNEERN-UHFFFAOYSA-N 0 0 417.421 4.424 20 5 HIBDRN NC(=O)[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000477624960 892737843 /nfs/dbraw/zinc/73/78/43/892737843.db2.gz VVXLKPMNLSUKMV-CYBMUJFWSA-N 0 0 418.169 4.015 20 5 HIBDRN Cc1cccc(CC2(O)CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000477701656 892816815 /nfs/dbraw/zinc/81/68/15/892816815.db2.gz LLKRENSMSFXFHX-UHFFFAOYSA-N 0 0 422.403 4.132 20 5 HIBDRN C[C@H](CCCO)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000477704897 892819129 /nfs/dbraw/zinc/81/91/29/892819129.db2.gz UPIAWWMSMVOZMO-GFCCVEGCSA-N 0 0 417.512 4.247 20 5 HIBDRN C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Br)cn1 ZINC000477795048 892870854 /nfs/dbraw/zinc/87/08/54/892870854.db2.gz XTUKKDOPAQZMMR-GFCCVEGCSA-N 0 0 422.282 4.330 20 5 HIBDRN COC(=O)c1csc(-c2cccc(CNc3c(F)cc([N+](=O)[O-])cc3F)c2)n1 ZINC000477808296 892880028 /nfs/dbraw/zinc/88/00/28/892880028.db2.gz HZABZEVFWMBXQE-UHFFFAOYSA-N 0 0 405.382 4.395 20 5 HIBDRN Cc1cn(-c2cccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)c2)c(=O)[nH]1 ZINC000477813086 892882733 /nfs/dbraw/zinc/88/27/33/892882733.db2.gz ILRLPNYDSWBPBJ-UHFFFAOYSA-N 0 0 410.433 4.133 20 5 HIBDRN Cc1cn(-c2cccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c2)c(=O)[nH]1 ZINC000477814453 892884151 /nfs/dbraw/zinc/88/41/51/892884151.db2.gz HGQUYYBLTDPEDL-UHFFFAOYSA-N 0 0 421.438 4.170 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000478003280 893108480 /nfs/dbraw/zinc/10/84/80/893108480.db2.gz OVGVTAFVJAPOTL-CHWSQXEVSA-N 0 0 409.305 4.369 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000478026049 893150621 /nfs/dbraw/zinc/15/06/21/893150621.db2.gz GHPWQUYIPIGMBO-LLVKDONJSA-N 0 0 412.273 4.369 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000478121379 893291641 /nfs/dbraw/zinc/29/16/41/893291641.db2.gz KHAZYMOMUUNQAC-UHFFFAOYSA-N 0 0 409.273 4.194 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000478125904 893297846 /nfs/dbraw/zinc/29/78/46/893297846.db2.gz SPDZHPOROACGBN-UHFFFAOYSA-N 0 0 411.483 4.253 20 5 HIBDRN O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000478260009 893445434 /nfs/dbraw/zinc/44/54/34/893445434.db2.gz QLBXJVOCVJVPKX-AZUAARDMSA-N 0 0 411.477 4.403 20 5 HIBDRN CCN(CC1CCC1)C(=O)c1ccc(C(=O)N(CC)CC2CCC2)c([N+](=O)[O-])c1 ZINC000478280882 893485294 /nfs/dbraw/zinc/48/52/94/893485294.db2.gz CTAQDAXTBZESSF-UHFFFAOYSA-N 0 0 401.507 4.119 20 5 HIBDRN CCN(CC1CCC1)C(=O)c1cc(C(=O)N(CC)CC2CCC2)cc([N+](=O)[O-])c1 ZINC000478304074 893524536 /nfs/dbraw/zinc/52/45/36/893524536.db2.gz LNZNLLNMVJZRCS-UHFFFAOYSA-N 0 0 401.507 4.119 20 5 HIBDRN Cc1ccc(CN(CCO)C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000478407308 893692086 /nfs/dbraw/zinc/69/20/86/893692086.db2.gz PDDNFLORCDPZES-UHFFFAOYSA-N 0 0 412.467 4.282 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000505062191 913801116 /nfs/dbraw/zinc/80/11/16/913801116.db2.gz KGFPNQYFSIYTSS-SJCJKPOMSA-N 0 0 417.874 4.378 20 5 HIBDRN CCNc1ccc(C(=O)NC[C@@H](C)CSc2ccccc2OC)cc1[N+](=O)[O-] ZINC000505067516 913802643 /nfs/dbraw/zinc/80/26/43/913802643.db2.gz CNTWZEDDEOOOOQ-CQSZACIVSA-N 0 0 403.504 4.193 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1cccc(OCC(F)(F)F)c1 ZINC000478525393 893829943 /nfs/dbraw/zinc/82/99/43/893829943.db2.gz AXGCGQHKXXHPNC-UHFFFAOYSA-N 0 0 416.783 4.470 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(OC)c(C)cc1C ZINC000478546100 893842719 /nfs/dbraw/zinc/84/27/19/893842719.db2.gz YWESSNUAMWPMRU-UHFFFAOYSA-N 0 0 418.471 4.128 20 5 HIBDRN Cc1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)sn1 ZINC000478561275 893849722 /nfs/dbraw/zinc/84/97/22/893849722.db2.gz ZAVYPEUFIRSKCS-UHFFFAOYSA-N 0 0 419.466 4.394 20 5 HIBDRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000505093405 913813654 /nfs/dbraw/zinc/81/36/54/913813654.db2.gz HDPCNENHKJRMIB-UHFFFAOYSA-N 0 0 405.414 4.457 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCC3=O)cc2[N+](=O)[O-])C1 ZINC000478625915 893882946 /nfs/dbraw/zinc/88/29/46/893882946.db2.gz IWVOKMOLPKVUJZ-UKBAYJJMSA-N 0 0 413.518 4.051 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000478638620 893890005 /nfs/dbraw/zinc/89/00/05/893890005.db2.gz ZBXCXDMJGSUKJY-UHFFFAOYSA-N 0 0 412.421 4.478 20 5 HIBDRN Cc1ccc(I)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000478647510 893894546 /nfs/dbraw/zinc/89/45/46/893894546.db2.gz KFUWOYFJUIWWJM-UHFFFAOYSA-N 0 0 421.194 4.241 20 5 HIBDRN CCSc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000505102240 913817640 /nfs/dbraw/zinc/81/76/40/913817640.db2.gz ISVMMRCHDJDDAH-CQSZACIVSA-N 0 0 405.501 4.012 20 5 HIBDRN COc1ccc(C[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1Cl ZINC000478666081 893913174 /nfs/dbraw/zinc/91/31/74/893913174.db2.gz GTKYOTHFGYSWKL-MHZLTWQESA-N 0 0 406.847 4.361 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1NC(=O)N(C)C ZINC000478668138 893917347 /nfs/dbraw/zinc/91/73/47/893917347.db2.gz SUMBZJZVOFBNON-UHFFFAOYSA-N 0 0 410.352 4.268 20 5 HIBDRN O=C(NCc1ccc(F)cn1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000478675912 893926279 /nfs/dbraw/zinc/92/62/79/893926279.db2.gz XXGFENCPQHRXLU-UHFFFAOYSA-N 0 0 414.824 4.324 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000478773682 894049241 /nfs/dbraw/zinc/04/92/41/894049241.db2.gz RZENCSQHOPXUMX-UHFFFAOYSA-N 0 0 424.432 4.305 20 5 HIBDRN CCC(CC)[C@@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000478783696 894058547 /nfs/dbraw/zinc/05/85/47/894058547.db2.gz ZZGXWYCZIMZKMX-QAPCUYQASA-N 0 0 403.504 4.432 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnn(C[C@@H](O)COc3cc(Cl)ccc3Cl)c2)c1 ZINC000478800795 894075461 /nfs/dbraw/zinc/07/54/61/894075461.db2.gz WFQKARLCTKRBIQ-MRXNPFEDSA-N 0 0 408.241 4.205 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000505133878 913834868 /nfs/dbraw/zinc/83/48/68/913834868.db2.gz DQNFAQOEDWTEGX-LJQANCHMSA-N 0 0 403.866 4.040 20 5 HIBDRN CCC(CC)[C@H]1C[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC000478833120 894110120 /nfs/dbraw/zinc/11/01/20/894110120.db2.gz GYQAWAAEMWLJLC-SUMWQHHRSA-N 0 0 418.412 4.250 20 5 HIBDRN CCOC(=O)Cc1ccccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505127233 913831760 /nfs/dbraw/zinc/83/17/60/913831760.db2.gz ALDUJQGUBCMHGK-UHFFFAOYSA-N 0 0 411.439 4.076 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000512380701 921118385 /nfs/dbraw/zinc/11/83/85/921118385.db2.gz GPHVBCYUHSAJQV-SFHVURJKSA-N 0 0 412.339 4.090 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc([N+](=O)[O-])c1C ZINC000478866404 894145595 /nfs/dbraw/zinc/14/55/95/894145595.db2.gz LIKUYFGFJRVNJF-AWEZNQCLSA-N 0 0 411.458 4.179 20 5 HIBDRN CSc1ccc(C(=O)NCc2ccnc(OCc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000478868447 894147719 /nfs/dbraw/zinc/14/77/19/894147719.db2.gz OOIMRIMZIHRCIS-UHFFFAOYSA-N 0 0 409.467 4.221 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000478907077 894188015 /nfs/dbraw/zinc/18/80/15/894188015.db2.gz ZQXVXDUWNKVOEQ-UHFFFAOYSA-N 0 0 404.854 4.001 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000478911914 894191684 /nfs/dbraw/zinc/19/16/84/894191684.db2.gz VKVJKQJYTYOQCF-CQSZACIVSA-N 0 0 421.734 4.261 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000478914392 894195728 /nfs/dbraw/zinc/19/57/28/894195728.db2.gz WLSAQWQLUGIHOS-UHFFFAOYSA-N 0 0 422.844 4.140 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000478941112 894222763 /nfs/dbraw/zinc/22/27/63/894222763.db2.gz CJFPEFPFCFBLRG-UHFFFAOYSA-N 0 0 411.380 4.268 20 5 HIBDRN COc1ccc(N(C)C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000505156407 913848172 /nfs/dbraw/zinc/84/81/72/913848172.db2.gz IIPIPRXCORIAET-OAHLLOKOSA-N 0 0 413.474 4.125 20 5 HIBDRN COc1ccc(N(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000505155899 913848482 /nfs/dbraw/zinc/84/84/82/913848482.db2.gz ANNPHYCRCBJALO-UHFFFAOYSA-N 0 0 413.474 4.125 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000478988790 894263459 /nfs/dbraw/zinc/26/34/59/894263459.db2.gz VHDLJZLKPKNRHG-UHFFFAOYSA-N 0 0 400.460 4.327 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2c1CN(c1nccs1)C2 ZINC000479021862 894286790 /nfs/dbraw/zinc/28/67/90/894286790.db2.gz LVURYSVIDCVMHR-UHFFFAOYSA-N 0 0 423.498 4.278 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCCc3nc(CC)sc32)cc1OC ZINC000479083368 894348732 /nfs/dbraw/zinc/34/87/32/894348732.db2.gz FKXYEXSUGOJCOY-AWEZNQCLSA-N 0 0 419.503 4.171 20 5 HIBDRN COc1cc(C(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)cc([N+](=O)[O-])c1C ZINC000479097153 894362063 /nfs/dbraw/zinc/36/20/63/894362063.db2.gz CAWVBGXQASXTTM-FQEVSTJZSA-N 0 0 405.454 4.329 20 5 HIBDRN CCn1c(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2cc(Br)ccc21 ZINC000479152509 894421704 /nfs/dbraw/zinc/42/17/04/894421704.db2.gz FMGPKRFRKLPOCB-UHFFFAOYSA-N 0 0 418.251 4.049 20 5 HIBDRN Cc1cccc([C@@H]2NC(=O)N(Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2=O)c1C ZINC000479187214 894455370 /nfs/dbraw/zinc/45/53/70/894455370.db2.gz VJMWDCRUYCIELS-INIZCTEOSA-N 0 0 407.348 4.024 20 5 HIBDRN O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000479261203 894529103 /nfs/dbraw/zinc/52/91/03/894529103.db2.gz HVILDHNWULFNMV-INIZCTEOSA-N 0 0 403.276 4.499 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000479282516 894560763 /nfs/dbraw/zinc/56/07/63/894560763.db2.gz MVQKDZKPJCJBDF-UHFFFAOYSA-N 0 0 406.533 4.040 20 5 HIBDRN COc1cc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)ccc1[N+](=O)[O-] ZINC000505204281 913882123 /nfs/dbraw/zinc/88/21/23/913882123.db2.gz OCCDXPMWPKMXQU-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000479332158 894625883 /nfs/dbraw/zinc/62/58/83/894625883.db2.gz CMBDXMVWEIRKIQ-UHFFFAOYSA-N 0 0 411.867 4.096 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000505218846 913889784 /nfs/dbraw/zinc/88/97/84/913889784.db2.gz PQANVRLTBCGMDA-QTJFZDIUSA-N 0 0 402.422 4.158 20 5 HIBDRN COc1cc(C(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)cc([N+](=O)[O-])c1OC ZINC000479380021 894680532 /nfs/dbraw/zinc/68/05/32/894680532.db2.gz NJBNEBUVPATGOY-QGZVFWFLSA-N 0 0 413.474 4.183 20 5 HIBDRN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000479391012 894694352 /nfs/dbraw/zinc/69/43/52/894694352.db2.gz AVEUPIODZRXQCC-UHFFFAOYSA-N 0 0 404.426 4.018 20 5 HIBDRN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000505227257 913893362 /nfs/dbraw/zinc/89/33/62/913893362.db2.gz ZCJHNMXZCALJMV-WMZOPIPTSA-N 0 0 422.384 4.131 20 5 HIBDRN CC[C@@H]1[C@H](C)CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000479411375 894719480 /nfs/dbraw/zinc/71/94/80/894719480.db2.gz AMBOZADOAVXDNS-CZUORRHYSA-N 0 0 413.440 4.477 20 5 HIBDRN Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000505239761 913899169 /nfs/dbraw/zinc/89/91/69/913899169.db2.gz QZXGRUZORLCMGG-UHFFFAOYSA-N 0 0 419.840 4.187 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000505242411 913900450 /nfs/dbraw/zinc/90/04/50/913900450.db2.gz KPGILKFMQUXZNO-UHFFFAOYSA-N 0 0 423.391 4.411 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cn1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479453150 894773798 /nfs/dbraw/zinc/77/37/98/894773798.db2.gz ZIWXFXDPFZMGSM-UHFFFAOYSA-N 0 0 419.812 4.113 20 5 HIBDRN COc1ccc(NC(=O)CSc2nc3cc(F)cc(Cl)c3o2)c([N+](=O)[O-])c1 ZINC000479507065 894822238 /nfs/dbraw/zinc/82/22/38/894822238.db2.gz YQOHWHHMVDMMEC-UHFFFAOYSA-N 0 0 411.798 4.268 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@](C)(CO)c1ccc(Br)cc1 ZINC000479554126 894852310 /nfs/dbraw/zinc/85/23/10/894852310.db2.gz YSJYAQLZDULUAW-SFHVURJKSA-N 0 0 422.279 4.003 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000479621596 894889779 /nfs/dbraw/zinc/88/97/79/894889779.db2.gz LNMYKRHVLPVQSM-JKSUJKDBSA-N 0 0 401.488 4.244 20 5 HIBDRN CCC(CC)[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CCO1 ZINC000479648703 894919967 /nfs/dbraw/zinc/91/99/67/894919967.db2.gz QKPRDWQPNNFQQL-CRAIPNDOSA-N 0 0 410.536 4.047 20 5 HIBDRN Cc1ccc(I)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000479660674 894934656 /nfs/dbraw/zinc/93/46/56/894934656.db2.gz DINLIGJMUCEBIE-UHFFFAOYSA-N 0 0 415.162 4.291 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H](Nc2ccccc2)C1 ZINC000479661890 894935943 /nfs/dbraw/zinc/93/59/43/894935943.db2.gz SSZTYKCTUMXHPQ-FQEVSTJZSA-N 0 0 411.505 4.258 20 5 HIBDRN O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000479704881 894997470 /nfs/dbraw/zinc/99/74/70/894997470.db2.gz KCYBZDPJSUIKKQ-UHFFFAOYSA-N 0 0 401.354 4.125 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2C[C@H](C)Oc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000479717431 895013018 /nfs/dbraw/zinc/01/30/18/895013018.db2.gz QQHWEAOMBYCYFI-VIFPVBQESA-N 0 0 409.211 4.233 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000479727296 895023794 /nfs/dbraw/zinc/02/37/94/895023794.db2.gz KOTAWJBTYHDKLI-ZUOKHONESA-N 0 0 401.850 4.095 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000479732348 895031349 /nfs/dbraw/zinc/03/13/49/895031349.db2.gz XMYIKTOFPDJODT-VBKZILBWSA-N 0 0 417.893 4.354 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000479754693 895053963 /nfs/dbraw/zinc/05/39/63/895053963.db2.gz MYPCBXXFWRLOIK-OAHLLOKOSA-N 0 0 422.407 4.000 20 5 HIBDRN COCC[C@@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000479757711 895057769 /nfs/dbraw/zinc/05/77/69/895057769.db2.gz RKAFSWWNULLTMG-CQSZACIVSA-N 0 0 411.252 4.075 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC000479829231 895147801 /nfs/dbraw/zinc/14/78/01/895147801.db2.gz JTTBFAIPVATMOK-UHFFFAOYSA-N 0 0 408.336 4.082 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc([N+](=O)[O-])c1C ZINC000479934598 895283568 /nfs/dbraw/zinc/28/35/68/895283568.db2.gz XLSLKJDWSVJRNP-UHFFFAOYSA-N 0 0 411.439 4.478 20 5 HIBDRN CCC(=O)c1ccc(NCc2ccc(NC(=O)c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000479971225 895325138 /nfs/dbraw/zinc/32/51/38/895325138.db2.gz YJVPDZMHLRKPJZ-UHFFFAOYSA-N 0 0 404.426 4.447 20 5 HIBDRN C[C@@H](N[C@H](c1nccs1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479976730 895329809 /nfs/dbraw/zinc/32/98/09/895329809.db2.gz GICQZMMFMREULH-PXAZEXFGSA-N 0 0 416.890 4.411 20 5 HIBDRN C[C@H](N[C@@H](c1nccs1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479976733 895330161 /nfs/dbraw/zinc/33/01/61/895330161.db2.gz GICQZMMFMREULH-YVEFUNNKSA-N 0 0 416.890 4.411 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3C)c2C(C)C)cc([N+](=O)[O-])c1 ZINC000479980988 895334486 /nfs/dbraw/zinc/33/44/86/895334486.db2.gz BPPKRMKIZKCQLA-UHFFFAOYSA-N 0 0 422.441 4.251 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000480007695 895360096 /nfs/dbraw/zinc/36/00/96/895360096.db2.gz USYJCXPWBXMTJU-OAHLLOKOSA-N 0 0 408.458 4.227 20 5 HIBDRN COCc1c(Br)cccc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000480033601 895383379 /nfs/dbraw/zinc/38/33/79/895383379.db2.gz FDKUYKJZWUJXOX-UHFFFAOYSA-N 0 0 409.236 4.073 20 5 HIBDRN COc1cc(C=Cc2nc(=O)c3cc(Br)sc3[nH]2)ccc1[N+](=O)[O-] ZINC000480038327 895386546 /nfs/dbraw/zinc/38/65/46/895386546.db2.gz KVKNYGBHGWNNFM-HYXAFXHYSA-N 0 0 408.233 4.247 20 5 HIBDRN Cc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1Br ZINC000480054868 895401813 /nfs/dbraw/zinc/40/18/13/895401813.db2.gz CRWYSOJRTBGIIH-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@@H](C)CO2)c1 ZINC000480065184 895412969 /nfs/dbraw/zinc/41/29/69/895412969.db2.gz WLWWIJIYGLNMDY-MBSDFSHPSA-N 0 0 423.513 4.414 20 5 HIBDRN Cc1c(CNC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000480068678 895418078 /nfs/dbraw/zinc/41/80/78/895418078.db2.gz JIOALYIKIVEMMU-INIZCTEOSA-N 0 0 419.865 4.436 20 5 HIBDRN CCC(=O)c1ccc(NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)c([N+](=O)[O-])c1 ZINC000480071202 895422796 /nfs/dbraw/zinc/42/27/96/895422796.db2.gz QBEMDJNSYHFPCS-OAHLLOKOSA-N 0 0 413.474 4.143 20 5 HIBDRN Cc1c(CNC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000480073288 895424411 /nfs/dbraw/zinc/42/44/11/895424411.db2.gz TZXWSGCOCTVOMD-LJQANCHMSA-N 0 0 421.457 4.390 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000480118453 895491030 /nfs/dbraw/zinc/49/10/30/895491030.db2.gz VXECIRVTNXGRMH-CWTRNNRKSA-N 0 0 404.850 4.167 20 5 HIBDRN O=C(CNc1cc(F)cc([N+](=O)[O-])c1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000480167291 895556634 /nfs/dbraw/zinc/55/66/34/895556634.db2.gz LEWBVCOKBYQCJX-MRXNPFEDSA-N 0 0 414.418 4.178 20 5 HIBDRN O=C(NCc1cccc(COCc2ccccc2)c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000480214451 895618578 /nfs/dbraw/zinc/61/85/78/895618578.db2.gz GGDLPFRDRPLFCM-UHFFFAOYSA-N 0 0 416.437 4.118 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC000505323282 913985288 /nfs/dbraw/zinc/98/52/88/913985288.db2.gz ROEOBIUUNWWAPO-LLVKDONJSA-N 0 0 420.347 4.012 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc(-n2cccn2)c(F)c1 ZINC000505323456 913985311 /nfs/dbraw/zinc/98/53/11/913985311.db2.gz UQGFXQWXXYDXHD-CHWSQXEVSA-N 0 0 400.385 4.040 20 5 HIBDRN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480434104 895826358 /nfs/dbraw/zinc/82/63/58/895826358.db2.gz GCBFANWFFXKBPJ-WMZOPIPTSA-N 0 0 420.252 4.113 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC000480471853 895853120 /nfs/dbraw/zinc/85/31/20/895853120.db2.gz ZFMXUGMIVXMDBC-AWEZNQCLSA-N 0 0 415.515 4.165 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(=O)N[C@H](C)CC)c1 ZINC000480471855 895853474 /nfs/dbraw/zinc/85/34/74/895853474.db2.gz ZFMXUGMIVXMDBC-CQSZACIVSA-N 0 0 415.515 4.165 20 5 HIBDRN Cc1c(CS(=O)(=O)Cc2csc(-c3ccccc3F)n2)cccc1[N+](=O)[O-] ZINC000480512126 895880019 /nfs/dbraw/zinc/88/00/19/895880019.db2.gz JPVYIUQNENIVSC-UHFFFAOYSA-N 0 0 406.460 4.281 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCC(CC)(CO)CC2)c([N+](=O)[O-])cc1OCCC ZINC000480548059 895909424 /nfs/dbraw/zinc/90/94/24/895909424.db2.gz ADWBXMXDSMIWKV-UHFFFAOYSA-N 0 0 423.510 4.189 20 5 HIBDRN Cc1ccc([C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480576235 895937637 /nfs/dbraw/zinc/93/76/37/895937637.db2.gz FGDXWCKKCSOCTA-XMMPIXPASA-N 0 0 418.497 4.332 20 5 HIBDRN C[C@H](CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1F ZINC000505363635 914026617 /nfs/dbraw/zinc/02/66/17/914026617.db2.gz FBJIUPIEFUTLLH-CQSZACIVSA-N 0 0 404.413 4.437 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)c1[N+](=O)[O-] ZINC000480679067 896041297 /nfs/dbraw/zinc/04/12/97/896041297.db2.gz IKKPTLVJKJESQF-HNNXBMFYSA-N 0 0 422.507 4.024 20 5 HIBDRN CCC(CC)N(c1cccc(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000480728943 896090712 /nfs/dbraw/zinc/09/07/12/896090712.db2.gz MSVHVMQURZGWNY-UHFFFAOYSA-N 0 0 420.487 4.074 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000505372893 914035535 /nfs/dbraw/zinc/03/55/35/914035535.db2.gz OEOFXDPQPJXRIC-QGZVFWFLSA-N 0 0 419.279 4.045 20 5 HIBDRN CCC1(Cc2ccccc2)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000480778376 896142941 /nfs/dbraw/zinc/14/29/41/896142941.db2.gz KLWJLQOLJUXEBF-UHFFFAOYSA-N 0 0 408.545 4.299 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000480787693 896154258 /nfs/dbraw/zinc/15/42/58/896154258.db2.gz FUSCMSIHQWTYJQ-JLTOFOAXSA-N 0 0 411.849 4.251 20 5 HIBDRN CCOC(=O)c1c(C)csc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480793250 896160784 /nfs/dbraw/zinc/16/07/84/896160784.db2.gz PBXLKYXMZXFECK-UHFFFAOYSA-N 0 0 403.460 4.338 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@@H](C)c2ccc(Br)cn2)c([N+](=O)[O-])c1 ZINC000480826703 896200927 /nfs/dbraw/zinc/20/09/27/896200927.db2.gz KZHSJJBHOIZLNF-NSHDSACASA-N 0 0 407.268 4.064 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000480842331 896215254 /nfs/dbraw/zinc/21/52/54/896215254.db2.gz HDQXFJFBMZPFJQ-UHFFFAOYSA-N 0 0 403.410 4.053 20 5 HIBDRN C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000480845301 896218255 /nfs/dbraw/zinc/21/82/55/896218255.db2.gz YPFZDPYZLGNLSX-SSDOTTSWSA-N 0 0 402.046 4.083 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C(=O)N1Cc2ccccc2C1 ZINC000480853823 896223266 /nfs/dbraw/zinc/22/32/66/896223266.db2.gz CRXPFQBCHPHIHQ-INIZCTEOSA-N 0 0 415.449 4.169 20 5 HIBDRN Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)s2)cs1 ZINC000480924990 896280698 /nfs/dbraw/zinc/28/06/98/896280698.db2.gz HXDBKZRDFMKXBT-JTQLQIEISA-N 0 0 409.514 4.128 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](CSc3ccccc3)C2)c1C ZINC000480996084 896329300 /nfs/dbraw/zinc/32/93/00/896329300.db2.gz ZSJIOJKSMSQIQI-INIZCTEOSA-N 0 0 406.529 4.015 20 5 HIBDRN CN(C[C@@H](O)Cc1ccccc1)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000481073381 896393680 /nfs/dbraw/zinc/39/36/80/896393680.db2.gz LGOSNJANUCYHLL-FQEVSTJZSA-N 0 0 422.506 4.422 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(CO)Cc1ccccc1 ZINC000481091862 896412519 /nfs/dbraw/zinc/41/25/19/896412519.db2.gz PDCJJGDKWNIPTH-OAQYLSRUSA-N 0 0 402.516 4.066 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000505401421 914066318 /nfs/dbraw/zinc/06/63/18/914066318.db2.gz CIYXKEUIRIHLFE-GOSISDBHSA-N 0 0 423.391 4.237 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(CO)Cc1ccccc1 ZINC000481113087 896436072 /nfs/dbraw/zinc/43/60/72/896436072.db2.gz QZNMYXACEMRVQF-QFIPXVFZSA-N 0 0 416.543 4.314 20 5 HIBDRN COc1ccc(NC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000481283604 896630011 /nfs/dbraw/zinc/63/00/11/896630011.db2.gz ZRWRBISMOBJSBV-ZDUSSCGKSA-N 0 0 424.379 4.023 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000481283602 896630367 /nfs/dbraw/zinc/63/03/67/896630367.db2.gz ZRWRBISMOBJSBV-CYBMUJFWSA-N 0 0 424.379 4.023 20 5 HIBDRN CC(C)[C@@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 ZINC000481301143 896645572 /nfs/dbraw/zinc/64/55/72/896645572.db2.gz NSZQLGIJUBDRAK-VQTJNVASSA-N 0 0 417.893 4.285 20 5 HIBDRN CC(C)[C@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 ZINC000481301144 896645652 /nfs/dbraw/zinc/64/56/52/896645652.db2.gz NSZQLGIJUBDRAK-WOJBJXKFSA-N 0 0 417.893 4.285 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000481357545 896733812 /nfs/dbraw/zinc/73/38/12/896733812.db2.gz FMISKWAEYKXTFD-LJQANCHMSA-N 0 0 424.501 4.039 20 5 HIBDRN Cc1c(CNC(=O)CSCc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000481465232 896857404 /nfs/dbraw/zinc/85/74/04/896857404.db2.gz KGIMNXCVJLITSX-UHFFFAOYSA-N 0 0 409.305 4.215 20 5 HIBDRN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000481546213 896907361 /nfs/dbraw/zinc/90/73/61/896907361.db2.gz QNRSZUCGMLEJAE-OAHLLOKOSA-N 0 0 401.488 4.059 20 5 HIBDRN Cc1nc([C@H]2CCCOC2)sc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000481546212 896908364 /nfs/dbraw/zinc/90/83/64/896908364.db2.gz QNRSZUCGMLEJAE-HNNXBMFYSA-N 0 0 401.488 4.059 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F ZINC000481557413 896930413 /nfs/dbraw/zinc/93/04/13/896930413.db2.gz OAXRVVCMPHWIQU-UHFFFAOYSA-N 0 0 406.320 4.392 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCc3ccc(C4CC4)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000481672286 897055083 /nfs/dbraw/zinc/05/50/83/897055083.db2.gz RZUXTKRZGLMPOG-UHFFFAOYSA-N 0 0 404.470 4.264 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nncn2C)c1 ZINC000481767059 897153733 /nfs/dbraw/zinc/15/37/33/897153733.db2.gz CTPPBTMALRIXSR-UHFFFAOYSA-N 0 0 411.487 4.391 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)NC(C)C)cc1 ZINC000481881299 897253766 /nfs/dbraw/zinc/25/37/66/897253766.db2.gz PGOSRKFSHDUDAZ-UHFFFAOYSA-N 0 0 402.476 4.489 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000481966294 897356231 /nfs/dbraw/zinc/35/62/31/897356231.db2.gz VYTRZRVBIDSLLL-MHZLTWQESA-N 0 0 424.544 4.060 20 5 HIBDRN COc1ccc(-c2nnc(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 ZINC000481978399 897371953 /nfs/dbraw/zinc/37/19/53/897371953.db2.gz DFAXKUCPCSJDAR-LBPRGKRZSA-N 0 0 413.459 4.313 20 5 HIBDRN CCc1nnc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)[nH]1 ZINC000481979864 897374654 /nfs/dbraw/zinc/37/46/54/897374654.db2.gz IUJGNABJLLEKGC-UHFFFAOYSA-N 0 0 417.535 4.043 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1SC ZINC000481992469 897388206 /nfs/dbraw/zinc/38/82/06/897388206.db2.gz OMPSFYKEVLJVFX-FQEVSTJZSA-N 0 0 409.467 4.240 20 5 HIBDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000481998262 897395574 /nfs/dbraw/zinc/39/55/74/897395574.db2.gz COZQXLFNNANDFJ-RHSMWYFYSA-N 0 0 402.416 4.344 20 5 HIBDRN CC1(C)CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000482015231 897416954 /nfs/dbraw/zinc/41/69/54/897416954.db2.gz IAXXIIIRNQNTQI-LBPRGKRZSA-N 0 0 409.202 4.408 20 5 HIBDRN CCc1ccc([C@@H]2CN(C(=O)c3cc(SC)c(OC)cc3[N+](=O)[O-])CCO2)cc1 ZINC000482052764 897477999 /nfs/dbraw/zinc/47/79/99/897477999.db2.gz YTQDEJKIAFUANB-IBGZPJMESA-N 0 0 416.499 4.101 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2OC)cc([N+](=O)[O-])c1 ZINC000482061776 897493087 /nfs/dbraw/zinc/49/30/87/897493087.db2.gz NWSNDFYBWYJQSN-UHFFFAOYSA-N 0 0 413.213 4.339 20 5 HIBDRN CCc1ccc([C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CCO2)cc1 ZINC000482063273 897496476 /nfs/dbraw/zinc/49/64/76/897496476.db2.gz RFJVRQCIXVCNGL-SFHVURJKSA-N 0 0 419.275 4.133 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000482068785 897503176 /nfs/dbraw/zinc/50/31/76/897503176.db2.gz PVCYXHUDSORAGJ-NRFANRHFSA-N 0 0 421.478 4.183 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2F)co1 ZINC000482119116 897572687 /nfs/dbraw/zinc/57/26/87/897572687.db2.gz HQNPSSXHDCJOIP-JTQLQIEISA-N 0 0 405.769 4.448 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000482120814 897574698 /nfs/dbraw/zinc/57/46/98/897574698.db2.gz BFPHQEYLWQWCOJ-AOMKIAJQSA-N 0 0 416.543 4.457 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(OCC2CC2)c(F)c1 ZINC000482124550 897581410 /nfs/dbraw/zinc/58/14/10/897581410.db2.gz OQIDVWWOKYMCQY-AWEZNQCLSA-N 0 0 424.432 4.199 20 5 HIBDRN CC[C@H](NC(=O)Nc1cc2ccc(Br)cn2n1)c1cccc([N+](=O)[O-])c1 ZINC000482130053 897587243 /nfs/dbraw/zinc/58/72/43/897587243.db2.gz KYTMWCPFWBRQLC-HNNXBMFYSA-N 0 0 418.251 4.278 20 5 HIBDRN Cc1nc([C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c2ccc(Cl)cc2)no1 ZINC000482242342 897724359 /nfs/dbraw/zinc/72/43/59/897724359.db2.gz PDIZDVGWKICRDQ-QGZVFWFLSA-N 0 0 415.837 4.468 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000482364253 897882517 /nfs/dbraw/zinc/88/25/17/897882517.db2.gz DYRMZMGRVISKBJ-UHFFFAOYSA-N 0 0 422.407 4.179 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000482438580 897998230 /nfs/dbraw/zinc/99/82/30/897998230.db2.gz LLSDEKFHTLABAY-OAHLLOKOSA-N 0 0 403.307 4.018 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCCOC2)O1 ZINC000482454488 898022873 /nfs/dbraw/zinc/02/28/73/898022873.db2.gz FAHLRILSJSMHSY-VLIAUNLRSA-N 0 0 406.866 4.278 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCCOC2)O1 ZINC000482454486 898023323 /nfs/dbraw/zinc/02/33/23/898023323.db2.gz FAHLRILSJSMHSY-JLTOFOAXSA-N 0 0 406.866 4.278 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)o1 ZINC000482493092 898072536 /nfs/dbraw/zinc/07/25/36/898072536.db2.gz WIBWMBHVIRKROQ-UHFFFAOYSA-N 0 0 417.219 4.222 20 5 HIBDRN COc1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1Cl ZINC000482523799 898112000 /nfs/dbraw/zinc/11/20/00/898112000.db2.gz 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ZINC000484947786 900315815 /nfs/dbraw/zinc/31/58/15/900315815.db2.gz VWMNXIYKZVKBJQ-CQSZACIVSA-N 0 0 404.463 4.325 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCS1 ZINC000505761166 914432687 /nfs/dbraw/zinc/43/26/87/914432687.db2.gz DHGUOTCBPKFDPT-CYBMUJFWSA-N 0 0 405.907 4.438 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2csc(-c3ccccc3)n2)cc1SC ZINC000484985395 900340956 /nfs/dbraw/zinc/34/09/56/900340956.db2.gz RSCNDSOBFQBAHZ-UHFFFAOYSA-N 0 0 415.496 4.379 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)c1 ZINC000505765114 914434781 /nfs/dbraw/zinc/43/47/81/914434781.db2.gz IAIUDWDKGACXCG-UHFFFAOYSA-N 0 0 408.439 4.216 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3cccnc3Oc3ccccc3)no2)cc2c1OCO2 ZINC000484990072 900343527 /nfs/dbraw/zinc/34/35/27/900343527.db2.gz RQXZHFWXFJOPNO-UHFFFAOYSA-N 0 0 404.338 4.228 20 5 HIBDRN Cc1cccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1Br ZINC000485008084 900358073 /nfs/dbraw/zinc/35/80/73/900358073.db2.gz VATVQKRVNASADA-UHFFFAOYSA-N 0 0 402.204 4.172 20 5 HIBDRN CC(C)OC(=O)C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000485134361 900436763 /nfs/dbraw/zinc/43/67/63/900436763.db2.gz MYPJQPPXOSIBSW-OAHLLOKOSA-N 0 0 408.252 4.247 20 5 HIBDRN CC[C@H]1Oc2cc([C@@H](C)Nc3ncc([N+](=O)[O-])cc3Br)ccc2NC1=O ZINC000485138759 900439698 /nfs/dbraw/zinc/43/96/98/900439698.db2.gz BAKLJJUVQOSJKQ-YMTOWFKASA-N 0 0 421.251 4.035 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1csc(Br)c1 ZINC000485234357 900519561 /nfs/dbraw/zinc/51/95/61/900519561.db2.gz UIKGUBCZSSXFTI-SNVBAGLBSA-N 0 0 404.307 4.403 20 5 HIBDRN CCc1ccc(-c2noc(CS(=O)(=O)[C@H](C)c3cc([N+](=O)[O-])ccc3C)n2)cc1 ZINC000485260961 900544968 /nfs/dbraw/zinc/54/49/68/900544968.db2.gz OUXGROTYHCGONO-CQSZACIVSA-N 0 0 415.471 4.192 20 5 HIBDRN C[C@@H](NC(N)=O)c1noc(-c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 ZINC000485265323 900548928 /nfs/dbraw/zinc/54/89/28/900548928.db2.gz ULDYMJZYLZYZOX-SECBINFHSA-N 0 0 419.850 4.179 20 5 HIBDRN C[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)N(C)Cc1ccccc1 ZINC000485272326 900552906 /nfs/dbraw/zinc/55/29/06/900552906.db2.gz NGOSWCRPKZUXST-GFCCVEGCSA-N 0 0 409.305 4.497 20 5 HIBDRN COc1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1OC1CCCC1 ZINC000485292165 900570519 /nfs/dbraw/zinc/57/05/19/900570519.db2.gz XZUAJTHKZLWRPT-UHFFFAOYSA-N 0 0 413.474 4.043 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000485335240 900622113 /nfs/dbraw/zinc/62/21/13/900622113.db2.gz ZUECRTGUWAZDSG-GFCCVEGCSA-N 0 0 421.862 4.283 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)ccc1[N+](=O)[O-] ZINC000485376621 900673932 /nfs/dbraw/zinc/67/39/32/900673932.db2.gz KFKFHRCXOZHIFF-UHFFFAOYSA-N 0 0 408.439 4.297 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2ccccc2N2CCOCC2)nc1-c1ccc(F)cc1 ZINC000485392065 900688919 /nfs/dbraw/zinc/68/89/19/900688919.db2.gz DXUSSIBHRCINAX-UHFFFAOYSA-N 0 0 408.433 4.245 20 5 HIBDRN O=C1[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CCN1Cc1ccccc1 ZINC000485398229 900696186 /nfs/dbraw/zinc/69/61/86/900696186.db2.gz IGTDANCSVFUMKQ-GOSISDBHSA-N 0 0 406.417 4.009 20 5 HIBDRN CCn1c(Sc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)nnc1-c1cnccn1 ZINC000485399932 900697651 /nfs/dbraw/zinc/69/76/51/900697651.db2.gz DDOGUCMQAUPYCC-UHFFFAOYSA-N 0 0 423.433 4.016 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H](CO)Cc2c[nH]c3ccccc23)nc1-c1ccc(F)cc1 ZINC000485400821 900699266 /nfs/dbraw/zinc/69/92/66/900699266.db2.gz SEZADFGMQSYFCO-KRWDZBQOSA-N 0 0 406.417 4.293 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485408933 900706534 /nfs/dbraw/zinc/70/65/34/900706534.db2.gz PIUDDRCRQCCOMS-SFTDATJTSA-N 0 0 413.449 4.328 20 5 HIBDRN CN(C(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1)c1ccccc1 ZINC000485418137 900717469 /nfs/dbraw/zinc/71/74/69/900717469.db2.gz FXCQCZOXBNMQFG-SFHVURJKSA-N 0 0 402.454 4.146 20 5 HIBDRN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](c1ccccc1)C(F)(F)F ZINC000485449880 900744541 /nfs/dbraw/zinc/74/45/41/900744541.db2.gz GDEFNVYJDUOQDR-KRWDZBQOSA-N 0 0 404.348 4.156 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000485476869 900770990 /nfs/dbraw/zinc/77/09/90/900770990.db2.gz QFHMLVKTSXYQIT-UHFFFAOYSA-N 0 0 419.640 4.111 20 5 HIBDRN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000485483953 900775952 /nfs/dbraw/zinc/77/59/52/900775952.db2.gz YRVZTRGRWOFZEU-RISCZKNCSA-N 0 0 414.409 4.121 20 5 HIBDRN CSc1cccc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1[N+](=O)[O-] ZINC000485489902 900780451 /nfs/dbraw/zinc/78/04/51/900780451.db2.gz MGVOXAGQGJVFNE-UHFFFAOYSA-N 0 0 423.897 4.067 20 5 HIBDRN CSc1cccc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1[N+](=O)[O-] ZINC000485501806 900791090 /nfs/dbraw/zinc/79/10/90/900791090.db2.gz DBEQXDPPGLYADV-LLVKDONJSA-N 0 0 414.409 4.009 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c1[N+](=O)[O-] ZINC000485525297 900807679 /nfs/dbraw/zinc/80/76/79/900807679.db2.gz ZNZOOVXIDUPTRL-UHFFFAOYSA-N 0 0 421.906 4.055 20 5 HIBDRN Cc1cc(Br)ccc1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485524858 900807730 /nfs/dbraw/zinc/80/77/30/900807730.db2.gz YNLKBMPGZIORJA-UHFFFAOYSA-N 0 0 403.276 4.399 20 5 HIBDRN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485588989 900852481 /nfs/dbraw/zinc/85/24/81/900852481.db2.gz HJPZFJKLBNENBH-ZDUSSCGKSA-N 0 0 404.291 4.272 20 5 HIBDRN CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 ZINC000485597799 900858374 /nfs/dbraw/zinc/85/83/74/900858374.db2.gz DQHNANAFTWIPOS-UHFFFAOYSA-N 0 0 412.442 4.145 20 5 HIBDRN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000485602807 900863081 /nfs/dbraw/zinc/86/30/81/900863081.db2.gz VTFOZELEWUCFEO-CYBMUJFWSA-N 0 0 417.181 4.433 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c1 ZINC000485609345 900868752 /nfs/dbraw/zinc/86/87/52/900868752.db2.gz WWPASNWLURVBSU-UHFFFAOYSA-N 0 0 422.528 4.282 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc3ncsc3c2)cc1OC ZINC000485653145 900904788 /nfs/dbraw/zinc/90/47/88/900904788.db2.gz FXMJUBWMFUMZMR-NSHDSACASA-N 0 0 401.444 4.103 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000485656650 900908885 /nfs/dbraw/zinc/90/88/85/900908885.db2.gz KBHYQFAJKKOEMJ-CQSZACIVSA-N 0 0 405.857 4.060 20 5 HIBDRN Cc1nc2ccccc2c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1C(C)C ZINC000485661809 900913071 /nfs/dbraw/zinc/91/30/71/900913071.db2.gz MCFIDQFPWGJFTI-UHFFFAOYSA-N 0 0 415.453 4.435 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000485666649 900916883 /nfs/dbraw/zinc/91/68/83/900916883.db2.gz FJTZFRWCSKKHFD-LBPRGKRZSA-N 0 0 417.512 4.434 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)cc(F)c2Br)cc([N+](=O)[O-])c1C ZINC000485668250 900918655 /nfs/dbraw/zinc/91/86/55/900918655.db2.gz JOHVPYYAOOAWDS-UHFFFAOYSA-N 0 0 401.163 4.205 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000485734424 900987082 /nfs/dbraw/zinc/98/70/82/900987082.db2.gz PDSCGNGZJBDSHI-LJQANCHMSA-N 0 0 421.478 4.427 20 5 HIBDRN COc1ccc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 ZINC000485739197 900993835 /nfs/dbraw/zinc/99/38/35/900993835.db2.gz QKRDVZRKYURFDQ-UHFFFAOYSA-N 0 0 406.385 4.225 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(Cc1ccco1)C[C@H]1CCCO1 ZINC000485743771 900998375 /nfs/dbraw/zinc/99/83/75/900998375.db2.gz MRPHRYJUDNYMKC-GOSISDBHSA-N 0 0 407.426 4.071 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c1[N+](=O)[O-] ZINC000485747166 901002565 /nfs/dbraw/zinc/00/25/65/901002565.db2.gz WEFUOUQEBCSRTB-UHFFFAOYSA-N 0 0 420.512 4.285 20 5 HIBDRN O=C(NCCCCc1ccc(F)c(F)c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000485750983 901007002 /nfs/dbraw/zinc/00/70/02/901007002.db2.gz PHIQWNZCEAYUJM-UHFFFAOYSA-N 0 0 419.247 4.450 20 5 HIBDRN COc1cccc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1OC ZINC000485758133 901015943 /nfs/dbraw/zinc/01/59/43/901015943.db2.gz VJKZYXBBSFTNGL-UHFFFAOYSA-N 0 0 422.437 4.121 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2c(F)cccc2F)C2CC2)cc1OC ZINC000485772780 901029379 /nfs/dbraw/zinc/02/93/79/901029379.db2.gz VELMEGXCJYNQFJ-UHFFFAOYSA-N 0 0 406.385 4.085 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1nc(C(C)C)no1 ZINC000485816491 901064989 /nfs/dbraw/zinc/06/49/89/901064989.db2.gz KBERRGLIKLXSKD-UHFFFAOYSA-N 0 0 406.508 4.212 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000485866557 901106753 /nfs/dbraw/zinc/10/67/53/901106753.db2.gz AMLBTYHKDHFPAX-UHFFFAOYSA-N 0 0 413.499 4.096 20 5 HIBDRN CC(C)(C)Oc1cc(NC[C@@H](c2cccs2)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000485873213 901110974 /nfs/dbraw/zinc/11/09/74/901110974.db2.gz TWHVREYYBRVBLU-KRWDZBQOSA-N 0 0 405.520 4.319 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@@H]2c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000485876629 901112575 /nfs/dbraw/zinc/11/25/75/901112575.db2.gz UOOQAWHTDNLWPC-LJQANCHMSA-N 0 0 417.531 4.275 20 5 HIBDRN C[S@](=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 ZINC000485897470 901129290 /nfs/dbraw/zinc/12/92/90/901129290.db2.gz NPWCJROWCUVDHN-LJAQVGFWSA-N 0 0 410.451 4.164 20 5 HIBDRN COC[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000485899427 901130092 /nfs/dbraw/zinc/13/00/92/901130092.db2.gz NZQOFOMJBAXQNK-OAQYLSRUSA-N 0 0 424.428 4.430 20 5 HIBDRN O=C(CN1CCC(c2ccsc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000485910993 901139238 /nfs/dbraw/zinc/13/92/38/901139238.db2.gz BSGZNNPHELBAFO-UHFFFAOYSA-N 0 0 424.320 4.237 20 5 HIBDRN CC[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000485916013 901142205 /nfs/dbraw/zinc/14/22/05/901142205.db2.gz AHNFPHXMLSEZQR-HXUWFJFHSA-N 0 0 422.485 4.405 20 5 HIBDRN O=C(Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000485918244 901143893 /nfs/dbraw/zinc/14/38/93/901143893.db2.gz HDJMXVQURFLPTH-UHFFFAOYSA-N 0 0 403.851 4.148 20 5 HIBDRN C[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000485918851 901144116 /nfs/dbraw/zinc/14/41/16/901144116.db2.gz GJHMWSIRTQGPSP-QMMMGPOBSA-N 0 0 419.684 4.270 20 5 HIBDRN COC(=O)c1cc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c(C)c([N+](=O)[O-])c1 ZINC000485956112 901174516 /nfs/dbraw/zinc/17/45/16/901174516.db2.gz VYKRWPBNXMLMIR-UHFFFAOYSA-N 0 0 408.410 4.106 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000485961084 901178645 /nfs/dbraw/zinc/17/86/45/901178645.db2.gz XBIWWMUNPKEHAW-KBPBESRZSA-N 0 0 422.359 4.451 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000485962062 901179019 /nfs/dbraw/zinc/17/90/19/901179019.db2.gz BKTOBVAGMUGFTP-RYUDHWBXSA-N 0 0 406.797 4.225 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(C(F)(F)F)ccc2F)c(C)c([N+](=O)[O-])c1 ZINC000485975749 901192946 /nfs/dbraw/zinc/19/29/46/901192946.db2.gz DHPZFHNINFJJIZ-UHFFFAOYSA-N 0 0 400.284 4.100 20 5 HIBDRN CC(C)c1[nH]nc(-c2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)c1[N+](=O)[O-] ZINC000485976710 901193092 /nfs/dbraw/zinc/19/30/92/901193092.db2.gz HICSEWRIPOCZMT-UHFFFAOYSA-N 0 0 417.788 4.137 20 5 HIBDRN 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901422159 /nfs/dbraw/zinc/42/21/59/901422159.db2.gz QNNQAYHNCYYMRH-UHFFFAOYSA-N 0 0 413.499 4.124 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](C)Cc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000486245057 901426852 /nfs/dbraw/zinc/42/68/52/901426852.db2.gz VZTYVTZAAIIKPO-NSHDSACASA-N 0 0 409.305 4.440 20 5 HIBDRN CSc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)c1[N+](=O)[O-] ZINC000486247662 901430972 /nfs/dbraw/zinc/43/09/72/901430972.db2.gz ZBVCTNHVNYBPJM-UHFFFAOYSA-N 0 0 408.439 4.216 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000486295129 901476776 /nfs/dbraw/zinc/47/67/76/901476776.db2.gz UZHMBBVGIFEFTE-XLIONFOSSA-N 0 0 417.893 4.258 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCCc2c(F)ccc(F)c21 ZINC000486305907 901485822 /nfs/dbraw/zinc/48/58/22/901485822.db2.gz YDDNZONRWAEOGK-UHFFFAOYSA-N 0 0 403.204 4.290 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc(SC)c3[N+](=O)[O-])n2)cc1 ZINC000486412119 901570617 /nfs/dbraw/zinc/57/06/17/901570617.db2.gz UYBNONJHIAJTKG-GFCCVEGCSA-N 0 0 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UPBNSSURCJYMBQ-YADHBBJMSA-N 0 0 409.486 4.407 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1OCC(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000491533193 904639704 /nfs/dbraw/zinc/63/97/04/904639704.db2.gz ROXXRAPMJBRCHA-UHFFFAOYSA-N 0 0 423.759 4.398 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NCc2ccc(F)c(F)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000506163681 914830150 /nfs/dbraw/zinc/83/01/50/914830150.db2.gz FZOPMIRWLYUHNH-ZDUSSCGKSA-N 0 0 412.396 4.371 20 5 HIBDRN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)CC3 ZINC000491648231 904677653 /nfs/dbraw/zinc/67/76/53/904677653.db2.gz HKOITCXYKGFQNC-INIZCTEOSA-N 0 0 402.454 4.013 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000491863270 904714684 /nfs/dbraw/zinc/71/46/84/904714684.db2.gz IWKRTGZPDKXXRY-AWEZNQCLSA-N 0 0 419.279 4.066 20 5 HIBDRN O=C(NC[C@@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000491973914 904745712 /nfs/dbraw/zinc/74/57/12/904745712.db2.gz AAQVBBDXOXYLJR-AWEZNQCLSA-N 0 0 420.872 4.421 20 5 HIBDRN CCOc1cc(CSc2nnc(-c3ccccc3OC)n2C)ccc1[N+](=O)[O-] ZINC000491981224 904749922 /nfs/dbraw/zinc/74/99/22/904749922.db2.gz OOABOMQKSUYKOA-UHFFFAOYSA-N 0 0 400.460 4.090 20 5 HIBDRN CC(C)c1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000492059270 904780058 /nfs/dbraw/zinc/78/00/58/904780058.db2.gz GTDRHQJHOJSAFN-QGZVFWFLSA-N 0 0 411.271 4.443 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000492235865 904821098 /nfs/dbraw/zinc/82/10/98/904821098.db2.gz WPKBZMCKMYKFEY-UHFFFAOYSA-N 0 0 417.824 4.092 20 5 HIBDRN CCOc1cc(CSc2nc3sc(C)c(C)c3c(=O)n2C)ccc1[N+](=O)[O-] ZINC000492296227 904830598 /nfs/dbraw/zinc/83/05/98/904830598.db2.gz RDSMNENJCAJCNI-UHFFFAOYSA-N 0 0 405.501 4.211 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(Oc2ccccn2)cc1 ZINC000506210471 914846910 /nfs/dbraw/zinc/84/69/10/914846910.db2.gz NPZBRJBCJMHEOG-CQSZACIVSA-N 0 0 408.414 4.230 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3c[nH]nc3-c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000492636042 904881208 /nfs/dbraw/zinc/88/12/08/904881208.db2.gz KYZSUDHSRUWDER-UHFFFAOYSA-N 0 0 405.458 4.474 20 5 HIBDRN CCOc1cc(CNc2cc(Cl)ccc2N2CCC(CO)CC2)ccc1[N+](=O)[O-] ZINC000492665940 904884758 /nfs/dbraw/zinc/88/47/58/904884758.db2.gz AOKPLDVLBFIRPG-UHFFFAOYSA-N 0 0 419.909 4.468 20 5 HIBDRN CCOc1cc(CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000492697975 904890909 /nfs/dbraw/zinc/89/09/09/904890909.db2.gz SNBLWZQNQHZORJ-GOSISDBHSA-N 0 0 423.469 4.134 20 5 HIBDRN CCOc1cc(CNc2cc(Br)ccc2NC(C)=O)ccc1[N+](=O)[O-] ZINC000492777403 904901558 /nfs/dbraw/zinc/90/15/58/904901558.db2.gz XXNGVHBBOQDRGP-UHFFFAOYSA-N 0 0 408.252 4.327 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000492954925 904964727 /nfs/dbraw/zinc/96/47/27/904964727.db2.gz BRTRTTMLXYKUBO-SIFCLUCFSA-N 0 0 401.438 4.275 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000492954922 904964802 /nfs/dbraw/zinc/96/48/02/904964802.db2.gz BRTRTTMLXYKUBO-QEEYODRMSA-N 0 0 401.438 4.275 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000492954919 904965101 /nfs/dbraw/zinc/96/51/01/904965101.db2.gz BRTRTTMLXYKUBO-AVYPCKFXSA-N 0 0 401.438 4.275 20 5 HIBDRN O=C(c1ccccc1I)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492974772 904973370 /nfs/dbraw/zinc/97/33/70/904973370.db2.gz BJENWUUEOSNPJX-UHFFFAOYSA-N 0 0 422.222 4.004 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493001384 904979069 /nfs/dbraw/zinc/97/90/69/904979069.db2.gz FIVGMWJSRMTGQD-ZDUSSCGKSA-N 0 0 421.847 4.261 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000493032154 904994608 /nfs/dbraw/zinc/99/46/08/904994608.db2.gz JMAZXRFIBVRUDK-UHFFFAOYSA-N 0 0 417.409 4.097 20 5 HIBDRN Cc1cc(C)n(Cc2cccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)n1 ZINC000493078249 905013245 /nfs/dbraw/zinc/01/32/45/905013245.db2.gz JVUPWARFHKTOAI-UHFFFAOYSA-N 0 0 404.470 4.261 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(C(F)F)sc2c1 ZINC000493081291 905014987 /nfs/dbraw/zinc/01/49/87/905014987.db2.gz RFNGNHLAOZGZBY-UHFFFAOYSA-N 0 0 407.402 4.376 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000493184496 905045338 /nfs/dbraw/zinc/04/53/38/905045338.db2.gz WFIHLUAOHJDUHV-CQSZACIVSA-N 0 0 410.499 4.431 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1[N+](=O)[O-] ZINC000493211142 905051713 /nfs/dbraw/zinc/05/17/13/905051713.db2.gz OIUSXMKCVAAXRF-DJJJIMSYSA-N 0 0 405.401 4.026 20 5 HIBDRN Cc1ccc([C@@H](NCc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000493222930 905056292 /nfs/dbraw/zinc/05/62/92/905056292.db2.gz BJZJZQMIHKNSHI-QHCPKHFHSA-N 0 0 424.522 4.494 20 5 HIBDRN Cc1ccc([C@@H](NCc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493234655 905057617 /nfs/dbraw/zinc/05/76/17/905057617.db2.gz WGWBIALBVKNSHH-JOCHJYFZSA-N 0 0 410.495 4.186 20 5 HIBDRN CCO[C@H](C)c1nc(CN2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cs1 ZINC000493285089 905077664 /nfs/dbraw/zinc/07/76/64/905077664.db2.gz YBGFHEYSNSOIKH-CQSZACIVSA-N 0 0 424.954 4.120 20 5 HIBDRN CCCN(CC1CCCCC1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000493280048 905077690 /nfs/dbraw/zinc/07/76/90/905077690.db2.gz VOUOWFKDOONEKF-UHFFFAOYSA-N 0 0 417.535 4.307 20 5 HIBDRN O=C(NCC1(CCO)CCC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000493345217 905093100 /nfs/dbraw/zinc/09/31/00/905093100.db2.gz QTBBIRNZCRVDIX-UHFFFAOYSA-N 0 0 417.893 4.143 20 5 HIBDRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)nc21 ZINC000493389059 905101840 /nfs/dbraw/zinc/10/18/40/905101840.db2.gz USUXSZMIAVZZGU-AWEZNQCLSA-N 0 0 417.487 4.410 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@@H](Cc2ccccc2)c2cccs2)cccc1[N+](=O)[O-] ZINC000493415993 905115509 /nfs/dbraw/zinc/11/55/09/905115509.db2.gz RXYSHMVKVBKETG-KRWDZBQOSA-N 0 0 409.467 4.003 20 5 HIBDRN Cc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1S(=O)(=O)N(C)C ZINC000512384825 921122092 /nfs/dbraw/zinc/12/20/92/921122092.db2.gz XBIWOBPJFRTMQH-UHFFFAOYSA-N 0 0 415.471 4.026 20 5 HIBDRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)nc21 ZINC000493669738 905186700 /nfs/dbraw/zinc/18/67/00/905186700.db2.gz PEWMQTZQQOZRFI-NSHDSACASA-N 0 0 421.500 4.009 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000512390349 921125871 /nfs/dbraw/zinc/12/58/71/921125871.db2.gz CPWQIEGNOUZUBI-KRWDZBQOSA-N 0 0 415.515 4.080 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCC[C@H]2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000493742363 905211589 /nfs/dbraw/zinc/21/15/89/905211589.db2.gz ZRFKBECDKQTQTM-TZIWHRDSSA-N 0 0 420.469 4.109 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000493932155 905283945 /nfs/dbraw/zinc/28/39/45/905283945.db2.gz AXYITNWDBVMGJM-LLVKDONJSA-N 0 0 410.257 4.334 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000493957686 905305369 /nfs/dbraw/zinc/30/53/69/905305369.db2.gz ITNTZWMDWBFLNB-UHFFFAOYSA-N 0 0 411.384 4.296 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000493966677 905316067 /nfs/dbraw/zinc/31/60/67/905316067.db2.gz KYGZPPSVLOEOAK-INIZCTEOSA-N 0 0 416.547 4.171 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1cc(Cl)ccc1Cl ZINC000493971010 905319029 /nfs/dbraw/zinc/31/90/29/905319029.db2.gz VNMOQHNWJTWIJS-GFCCVEGCSA-N 0 0 424.284 4.229 20 5 HIBDRN CCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000494018870 905357492 /nfs/dbraw/zinc/35/74/92/905357492.db2.gz QYTAUJBLHTYHAI-ZDUSSCGKSA-N 0 0 419.865 4.161 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN3CCn4c(cc5cc(Cl)ccc54)C3)n2)cc1 ZINC000494025703 905365072 /nfs/dbraw/zinc/36/50/72/905365072.db2.gz DKWCGPDSPKYNQA-UHFFFAOYSA-N 0 0 409.833 4.269 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2nnc(C3CCC3)n2c1 ZINC000494049073 905387883 /nfs/dbraw/zinc/38/78/83/905387883.db2.gz MVNMLPBFYDIJKG-UHFFFAOYSA-N 0 0 423.476 4.104 20 5 HIBDRN COc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000512417341 921144766 /nfs/dbraw/zinc/14/47/66/921144766.db2.gz YIAFXUXCOJUZAP-XJKSGUPXSA-N 0 0 419.503 4.290 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000494211900 905543774 /nfs/dbraw/zinc/54/37/74/905543774.db2.gz JFTPREZCHAFAFJ-QGZVFWFLSA-N 0 0 420.849 4.214 20 5 HIBDRN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(Br)c(F)c1 ZINC000494293204 905613933 /nfs/dbraw/zinc/61/39/33/905613933.db2.gz NCISZSVKBMKNMA-UHFFFAOYSA-N 0 0 421.226 4.178 20 5 HIBDRN O=C(Nc1ccc(N2CCCC2)cn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000494320672 905635041 /nfs/dbraw/zinc/63/50/41/905635041.db2.gz WLEDNTIEZQLTFM-UHFFFAOYSA-N 0 0 418.453 4.421 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2N2CCOCC2)cc1OC(F)F ZINC000512440091 921163555 /nfs/dbraw/zinc/16/35/55/921163555.db2.gz AALXHKFTYFPYOI-UHFFFAOYSA-N 0 0 413.808 4.298 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CSc2ccc(Br)cc21 ZINC000494431440 905718847 /nfs/dbraw/zinc/71/88/47/905718847.db2.gz PLNLBVDATLYRII-OAHLLOKOSA-N 0 0 422.304 4.046 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000494443756 905728958 /nfs/dbraw/zinc/72/89/58/905728958.db2.gz CDMNLJKBYXBRAM-KRWDZBQOSA-N 0 0 408.355 4.365 20 5 HIBDRN CN(C)c1cc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2ccccc2n1 ZINC000494443229 905729200 /nfs/dbraw/zinc/72/92/00/905729200.db2.gz HPXUTXUHNREDCE-UHFFFAOYSA-N 0 0 419.485 4.083 20 5 HIBDRN Cc1c([C@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nnn1-c1ccc(F)cc1 ZINC000494448969 905733233 /nfs/dbraw/zinc/73/32/33/905733233.db2.gz HJUMYIAUPCYNEK-NSHDSACASA-N 0 0 423.370 4.493 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN[C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)c1 ZINC000494489044 905773109 /nfs/dbraw/zinc/77/31/09/905773109.db2.gz CCPZWCHKZGDTKD-WMZOPIPTSA-N 0 0 418.812 4.057 20 5 HIBDRN O=[N+]([O-])c1cccc(N(C2CCCC2)S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000494501781 905793600 /nfs/dbraw/zinc/79/36/00/905793600.db2.gz IJEHKGNDVUDMHU-UHFFFAOYSA-N 0 0 415.393 4.147 20 5 HIBDRN COc1cc(NC(C)=O)ccc1[C@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494517337 905807139 /nfs/dbraw/zinc/80/71/39/905807139.db2.gz YIIDGYFHTLBXTA-NSHDSACASA-N 0 0 411.380 4.431 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(CC)c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000512467092 921180464 /nfs/dbraw/zinc/18/04/64/921180464.db2.gz CFYRCSIRVCFJBO-UHFFFAOYSA-N 0 0 410.348 4.457 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000494616897 905864813 /nfs/dbraw/zinc/86/48/13/905864813.db2.gz UYNJNNVHRODAAJ-GOSISDBHSA-N 0 0 420.412 4.074 20 5 HIBDRN CCOc1ccc(Oc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3OC)ccn2)cc1 ZINC000494642466 905878639 /nfs/dbraw/zinc/87/86/39/905878639.db2.gz JLCTZDZEVREMTI-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(COCc2ccccc2)cc1 ZINC000494664518 905890373 /nfs/dbraw/zinc/89/03/73/905890373.db2.gz YMXLJJMDVYCBPW-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cccc3oc(C(F)(F)F)nc32)cc([N+](=O)[O-])c1 ZINC000494684051 905899327 /nfs/dbraw/zinc/89/93/27/905899327.db2.gz CQOUJASDRANMLW-UHFFFAOYSA-N 0 0 423.303 4.184 20 5 HIBDRN C[C@H](NC(=O)NCc1nc(-c2ccccc2F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000494683891 905899501 /nfs/dbraw/zinc/89/95/01/905899501.db2.gz GVJYKVDAPGTEDL-LBPRGKRZSA-N 0 0 400.435 4.418 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)F)cc1F ZINC000512479649 921189729 /nfs/dbraw/zinc/18/97/29/921189729.db2.gz MNLNSIKUTBSRCP-MRVPVSSYSA-N 0 0 404.728 4.395 20 5 HIBDRN CN(Cc1ccc(Br)c(F)c1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000494856094 906040594 /nfs/dbraw/zinc/04/05/94/906040594.db2.gz HACUFXAVSFOJEF-UHFFFAOYSA-N 0 0 420.238 4.179 20 5 HIBDRN CCSc1ccc([C@@H](C)NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000494857534 906041831 /nfs/dbraw/zinc/04/18/31/906041831.db2.gz GFXGTQMBXDWWDP-CQSZACIVSA-N 0 0 403.508 4.011 20 5 HIBDRN CN(Cc1cc(Br)ccc1Cl)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000494857468 906042020 /nfs/dbraw/zinc/04/20/20/906042020.db2.gz POLAPHDCXMZEOT-UHFFFAOYSA-N 0 0 413.655 4.048 20 5 HIBDRN C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000494866441 906049397 /nfs/dbraw/zinc/04/93/97/906049397.db2.gz YBYRGLCPDUJSFM-PTNGSMBKSA-N 0 0 423.498 4.050 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCc3cc[nH]c(=O)c3C2)cc1[N+](=O)[O-] ZINC000494872132 906053179 /nfs/dbraw/zinc/05/31/79/906053179.db2.gz RSVWMWAGNYLBSQ-UHFFFAOYSA-N 0 0 401.488 4.032 20 5 HIBDRN O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000494914490 906089089 /nfs/dbraw/zinc/08/90/89/906089089.db2.gz IIZAUPACTMGJFP-IBGZPJMESA-N 0 0 417.897 4.333 20 5 HIBDRN CCc1c(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cnn1CCC(C)C ZINC000494921699 906094759 /nfs/dbraw/zinc/09/47/59/906094759.db2.gz MEINMYJNLRNJBE-UHFFFAOYSA-N 0 0 407.902 4.417 20 5 HIBDRN O=C(NCC1(c2cccs2)CCCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000495195660 906301728 /nfs/dbraw/zinc/30/17/28/906301728.db2.gz RJMONVXIGBNEDH-UHFFFAOYSA-N 0 0 417.535 4.101 20 5 HIBDRN COc1cccc(C[C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000495231488 906323562 /nfs/dbraw/zinc/32/35/62/906323562.db2.gz UUHLSJIRQVYPKW-GFCCVEGCSA-N 0 0 411.380 4.053 20 5 HIBDRN Cn1nccc1[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000512550290 921230383 /nfs/dbraw/zinc/23/03/83/921230383.db2.gz FDNVJVIFDFBRHV-INIZCTEOSA-N 0 0 422.510 4.499 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1OC ZINC000495345850 906391483 /nfs/dbraw/zinc/39/14/83/906391483.db2.gz ZANVRVNPIWBWNU-UHFFFAOYSA-N 0 0 414.336 4.196 20 5 HIBDRN CC(=O)Nc1ccc(C(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1 ZINC000495376068 906415074 /nfs/dbraw/zinc/41/50/74/906415074.db2.gz XPUBDFUFJRHYAR-UHFFFAOYSA-N 0 0 417.490 4.020 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000512562754 921239101 /nfs/dbraw/zinc/23/91/01/921239101.db2.gz ALYFFNCHWGTSPV-CALCHBBNSA-N 0 0 411.502 4.358 20 5 HIBDRN COc1ccc(CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C2CC2)c(OC)c1 ZINC000512559320 921236245 /nfs/dbraw/zinc/23/62/45/921236245.db2.gz MSEVDBJDILSIAB-INIZCTEOSA-N 0 0 412.486 4.290 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000512574782 921245256 /nfs/dbraw/zinc/24/52/56/921245256.db2.gz TZEHKEVSPBVNIA-NSHDSACASA-N 0 0 421.240 4.493 20 5 HIBDRN COc1cc(OCC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000512566389 921241006 /nfs/dbraw/zinc/24/10/06/921241006.db2.gz TTWGBCUVHYHAMP-DEOSSOPVSA-N 0 0 418.449 4.157 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000496260553 906640086 /nfs/dbraw/zinc/64/00/86/906640086.db2.gz FJXACHQDFUOFCV-UHFFFAOYSA-N 0 0 415.534 4.147 20 5 HIBDRN COc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)c([N+](=O)[O-])c1 ZINC000512595663 921253987 /nfs/dbraw/zinc/25/39/87/921253987.db2.gz TVIHJFIFCRINGJ-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN C[C@H](CC(=O)c1cccs1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000496435965 906679981 /nfs/dbraw/zinc/67/99/81/906679981.db2.gz HVMAEDUGGKMYRL-LLVKDONJSA-N 0 0 401.469 4.171 20 5 HIBDRN CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000496592735 906715971 /nfs/dbraw/zinc/71/59/71/906715971.db2.gz NRPKRNVBPYGEOI-HSZRJFAPSA-N 0 0 404.470 4.348 20 5 HIBDRN O=C1CCCN1C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000497113765 906808325 /nfs/dbraw/zinc/80/83/25/906808325.db2.gz JDACFWDWTNFCBO-KRWDZBQOSA-N 0 0 404.264 4.133 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000497362486 906853647 /nfs/dbraw/zinc/85/36/47/906853647.db2.gz HREZWAYIRIYNIJ-UHFFFAOYSA-N 0 0 402.406 4.138 20 5 HIBDRN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497364044 906854860 /nfs/dbraw/zinc/85/48/60/906854860.db2.gz KLPGRXMGCYDXAT-UHFFFAOYSA-N 0 0 422.384 4.333 20 5 HIBDRN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OCC(F)(F)F ZINC000497377759 906865942 /nfs/dbraw/zinc/86/59/42/906865942.db2.gz ZFOPEEGXQSMSCG-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN Cc1cc(N2CCSCC2)ccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000497443720 906917066 /nfs/dbraw/zinc/91/70/66/906917066.db2.gz SWTWFHRMTOBRRW-UHFFFAOYSA-N 0 0 403.529 4.187 20 5 HIBDRN CCN(C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000497464284 906941707 /nfs/dbraw/zinc/94/17/07/906941707.db2.gz INUWKAMHENCOGB-UHFFFAOYSA-N 0 0 424.453 4.449 20 5 HIBDRN CC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)nc1C ZINC000497476848 906958088 /nfs/dbraw/zinc/95/80/88/906958088.db2.gz SYRFIAJMNJABNM-UHFFFAOYSA-N 0 0 401.488 4.179 20 5 HIBDRN Cc1ocnc1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000497491978 906976604 /nfs/dbraw/zinc/97/66/04/906976604.db2.gz CBRZIOGUGDMIHM-UHFFFAOYSA-N 0 0 400.822 4.087 20 5 HIBDRN Cc1ccnc([C@H](NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000497497978 906984769 /nfs/dbraw/zinc/98/47/69/906984769.db2.gz YHIAQAPHNWJUOO-VTJXTGGHSA-N 0 0 423.517 4.057 20 5 HIBDRN Cc1ocnc1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000497499950 906986205 /nfs/dbraw/zinc/98/62/05/906986205.db2.gz LOONFQQTPKPXMP-UHFFFAOYSA-N 0 0 400.822 4.087 20 5 HIBDRN COc1cc(CN(Cc2cccc(O)c2)CC2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000512678575 921284783 /nfs/dbraw/zinc/28/47/83/921284783.db2.gz PZNZJYOQKCHQJY-UHFFFAOYSA-N 0 0 408.401 4.323 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1[N+](=O)[O-] ZINC000497518547 907009288 /nfs/dbraw/zinc/00/92/88/907009288.db2.gz YVXAFZDDPSEEHO-UHFFFAOYSA-N 0 0 408.414 4.433 20 5 HIBDRN Cc1cc([C@H]2CN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000497569696 907054885 /nfs/dbraw/zinc/05/48/85/907054885.db2.gz QLIQAFIXFTTWEW-BFUOFWGJSA-N 0 0 422.840 4.063 20 5 HIBDRN Cc1ccc(Nc2cccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2)nn1 ZINC000497572605 907058127 /nfs/dbraw/zinc/05/81/27/907058127.db2.gz CTOJOZSDPXZBIO-UHFFFAOYSA-N 0 0 403.442 4.242 20 5 HIBDRN Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)n1Cc1ccccn1 ZINC000497586863 907069079 /nfs/dbraw/zinc/06/90/79/907069079.db2.gz BMYDQMYFJDUAFQ-UHFFFAOYSA-N 0 0 404.470 4.261 20 5 HIBDRN Cc1nc([C@](C)(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C2CC2)no1 ZINC000497597836 907078167 /nfs/dbraw/zinc/07/81/67/907078167.db2.gz GYCWQFKUGMMKQA-OAQYLSRUSA-N 0 0 424.482 4.493 20 5 HIBDRN O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497601558 907079731 /nfs/dbraw/zinc/07/97/31/907079731.db2.gz QRGVNVQYFSCNOI-DYVFJYSZSA-N 0 0 406.385 4.094 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000512728945 921298009 /nfs/dbraw/zinc/29/80/09/921298009.db2.gz HIKHHFBNOHABKB-ZDUSSCGKSA-N 0 0 424.379 4.202 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000512733169 921298852 /nfs/dbraw/zinc/29/88/52/921298852.db2.gz DWJROEDMUQXNPZ-CYBMUJFWSA-N 0 0 424.379 4.202 20 5 HIBDRN O=C(NCc1cccc(Oc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497664320 907156438 /nfs/dbraw/zinc/15/64/38/907156438.db2.gz KHJSQABUKUQAQN-UHFFFAOYSA-N 0 0 424.478 4.402 20 5 HIBDRN Cc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)n[nH]2)o1 ZINC000497735691 907231685 /nfs/dbraw/zinc/23/16/85/907231685.db2.gz OCKYVECYWHHZEB-UHFFFAOYSA-N 0 0 401.448 4.282 20 5 HIBDRN COc1cc(Br)cc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000497768612 907262716 /nfs/dbraw/zinc/26/27/16/907262716.db2.gz QDAAEIBYAZZPOE-UHFFFAOYSA-N 0 0 405.208 4.028 20 5 HIBDRN COc1cc(CCNC(=O)N(C)[C@H](c2ccccc2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000497779068 907272790 /nfs/dbraw/zinc/27/27/90/907272790.db2.gz UDVCTDAGOBMIJB-NRFANRHFSA-N 0 0 415.490 4.193 20 5 HIBDRN CCOc1ccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)cc1 ZINC000512774412 921309522 /nfs/dbraw/zinc/30/95/22/921309522.db2.gz DUPGMSIGIDLERE-IBGZPJMESA-N 0 0 418.496 4.123 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCCn2c(cc3ccccc32)C1 ZINC000497785895 907277032 /nfs/dbraw/zinc/27/70/32/907277032.db2.gz HDONHYAXRPOSSP-UHFFFAOYSA-N 0 0 406.486 4.488 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000497830098 907311310 /nfs/dbraw/zinc/31/13/10/907311310.db2.gz ZWSJDBGMOJGAKY-VIFPVBQESA-N 0 0 415.190 4.450 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1nnc2n1CCCCC2 ZINC000497832073 907315181 /nfs/dbraw/zinc/31/51/81/907315181.db2.gz RIBKBFLREVDNBP-OAHLLOKOSA-N 0 0 421.457 4.196 20 5 HIBDRN CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000497860061 907338083 /nfs/dbraw/zinc/33/80/83/907338083.db2.gz SEUNEHYZFJHSNH-INIZCTEOSA-N 0 0 423.391 4.188 20 5 HIBDRN CC1(C)CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c2ccccc21 ZINC000497861531 907339226 /nfs/dbraw/zinc/33/92/26/907339226.db2.gz YHZPMRMSDAJOSZ-GOSISDBHSA-N 0 0 400.500 4.222 20 5 HIBDRN Cc1cccc(C2(CNC(=O)c3cc([N+](=O)[O-])ccc3SCCO)CCCC2)c1 ZINC000497864792 907342954 /nfs/dbraw/zinc/34/29/54/907342954.db2.gz ZRROPJNIMBTCDC-UHFFFAOYSA-N 0 0 414.527 4.229 20 5 HIBDRN C[C@@]1(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000497932717 907398162 /nfs/dbraw/zinc/39/81/62/907398162.db2.gz WTNPELPUKIIEMD-FQEVSTJZSA-N 0 0 403.866 4.017 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000497944070 907412470 /nfs/dbraw/zinc/41/24/70/907412470.db2.gz LJEZVOAWOGSSKT-DVOMOZLQSA-N 0 0 419.503 4.193 20 5 HIBDRN O=C(Nc1nc(-c2cccs2)ns1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000497985638 907463030 /nfs/dbraw/zinc/46/30/30/907463030.db2.gz NMDFLNZQTAHOLJ-UHFFFAOYSA-N 0 0 401.473 4.027 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)ccc1Br ZINC000498068260 907576717 /nfs/dbraw/zinc/57/67/17/907576717.db2.gz XNMXDAXXKWECLW-UHFFFAOYSA-N 0 0 411.277 4.002 20 5 HIBDRN CC(C)[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N1CCC[C@@H](C)C1 ZINC000498085032 907594384 /nfs/dbraw/zinc/59/43/84/907594384.db2.gz KWRPLTKGHXFEQH-IIBYNOLFSA-N 0 0 423.582 4.462 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000512835614 921339319 /nfs/dbraw/zinc/33/93/19/921339319.db2.gz 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CCCOc1cc(NC(=O)NCC2(C)CCOCC2)c([N+](=O)[O-])cc1OCCC ZINC000499207176 908561491 /nfs/dbraw/zinc/56/14/91/908561491.db2.gz XECASGSWXVEMOV-UHFFFAOYSA-N 0 0 409.483 4.111 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000512939471 921427103 /nfs/dbraw/zinc/42/71/03/921427103.db2.gz JRRIDLHEAIKENH-ZWKOTPCHSA-N 0 0 403.276 4.162 20 5 HIBDRN CCN(CC)c1nc2sc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2s1 ZINC000512946147 921431780 /nfs/dbraw/zinc/43/17/80/921431780.db2.gz CTGYIMDEZNPHAN-UHFFFAOYSA-N 0 0 418.544 4.427 20 5 HIBDRN C[C@H]1COC[C@@H](c2ccccc2)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000499365944 908733558 /nfs/dbraw/zinc/73/35/58/908733558.db2.gz VTHGEAVTKRLXDV-KSSFIOAISA-N 0 0 404.850 4.006 20 5 HIBDRN CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000499418314 908783416 /nfs/dbraw/zinc/78/34/16/908783416.db2.gz XSAAHTYUQMFRMW-AWEZNQCLSA-N 0 0 413.499 4.322 20 5 HIBDRN CC(=O)Nc1ccc(-c2noc(-c3n[nH]c(C(C)C)c3[N+](=O)[O-])n2)cc1C(F)(F)F 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O=C(Nc1c[nH]nc1[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)c1ccccc1 ZINC000500871185 910145201 /nfs/dbraw/zinc/14/52/01/910145201.db2.gz SZDJCXGBDLRZEZ-HNNXBMFYSA-N 0 0 409.421 4.093 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(CC)c2ccc(Br)cc2)cc([N+](=O)[O-])c1 ZINC000501078506 910279677 /nfs/dbraw/zinc/27/96/77/910279677.db2.gz JUXZRIMXKCPZKJ-UHFFFAOYSA-N 0 0 421.247 4.201 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1OC ZINC000501207324 910370627 /nfs/dbraw/zinc/37/06/27/910370627.db2.gz IJYWVDDMHGLJSP-CYBMUJFWSA-N 0 0 421.881 4.177 20 5 HIBDRN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)c1 ZINC000501250577 910410148 /nfs/dbraw/zinc/41/01/48/910410148.db2.gz MMCJPUCPDISBCX-LJQANCHMSA-N 0 0 412.339 4.355 20 5 HIBDRN CCOc1ccc(C(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)cc1[N+](=O)[O-] ZINC000501349485 910486943 /nfs/dbraw/zinc/48/69/43/910486943.db2.gz HFZKALCEWLSMQX-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])CC3 ZINC000501389369 910522160 /nfs/dbraw/zinc/52/21/60/910522160.db2.gz KUDTXOBZILOHEN-KRWDZBQOSA-N 0 0 406.486 4.126 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2ccc(Oc3ccnc4ccccc43)cc2)c1[N+](=O)[O-] ZINC000501406086 910538204 /nfs/dbraw/zinc/53/82/04/910538204.db2.gz MRUUBHJQSWLRGD-UHFFFAOYSA-N 0 0 403.398 4.473 20 5 HIBDRN C[C@@H]1CN(Cc2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)O1 ZINC000501450100 910577579 /nfs/dbraw/zinc/57/75/79/910577579.db2.gz LQILSQUSDOJSFP-HUUCEWRRSA-N 0 0 409.442 4.203 20 5 HIBDRN CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000501515294 910625650 /nfs/dbraw/zinc/62/56/50/910625650.db2.gz VWAYSJTWTMRPGB-HNNXBMFYSA-N 0 0 408.458 4.227 20 5 HIBDRN Cc1ccc(OC2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1C ZINC000501630762 910728016 /nfs/dbraw/zinc/72/80/16/910728016.db2.gz UWRLISNVWIOYGM-UHFFFAOYSA-N 0 0 420.469 4.081 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](O)COc2ccc(C(F)(F)F)cc2)c2ncccc12 ZINC000513174177 921601010 /nfs/dbraw/zinc/60/10/10/921601010.db2.gz POJMORRUQZCGPG-ZDUSSCGKSA-N 0 0 407.348 4.014 20 5 HIBDRN CN(CCO)C(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc([N+](=O)[O-])cc1 ZINC000501673417 910749006 /nfs/dbraw/zinc/74/90/06/910749006.db2.gz MMVRKJJJLVOXGY-BMRADRMJSA-N 0 0 417.465 4.084 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000501698705 910767686 /nfs/dbraw/zinc/76/76/86/910767686.db2.gz OLEBDKGSONQFKC-UHFFFAOYSA-N 0 0 410.405 4.040 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000501714469 910781872 /nfs/dbraw/zinc/78/18/72/910781872.db2.gz NTXZHEZEDVHFHK-HSZRJFAPSA-N 0 0 420.513 4.338 20 5 HIBDRN O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1 ZINC000501732786 910794055 /nfs/dbraw/zinc/79/40/55/910794055.db2.gz QPFYNMSZNYRLNC-QGZVFWFLSA-N 0 0 423.448 4.089 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC2(CCCC2)c2c1cccc2F ZINC000501847791 910882698 /nfs/dbraw/zinc/88/26/98/910882698.db2.gz YWAKTLZQDGNILP-UHFFFAOYSA-N 0 0 406.417 4.392 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@@H]1CCOc2ccccc21 ZINC000502092971 911029253 /nfs/dbraw/zinc/02/92/53/911029253.db2.gz ZMQZBSFMPUHSQA-OAHLLOKOSA-N 0 0 400.232 4.263 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000502118417 911047410 /nfs/dbraw/zinc/04/74/10/911047410.db2.gz LFNOUYSDJPYHLO-AWEZNQCLSA-N 0 0 424.432 4.469 20 5 HIBDRN O=C(c1ccc(COc2ccccc2)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000513215476 921629777 /nfs/dbraw/zinc/62/97/77/921629777.db2.gz YLMOWFUPHVJTEP-UHFFFAOYSA-N 0 0 417.465 4.136 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000502191321 911128479 /nfs/dbraw/zinc/12/84/79/911128479.db2.gz HYZODRUCZJHSLI-FQEVSTJZSA-N 0 0 424.888 4.469 20 5 HIBDRN CCOc1cc(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000502206133 911152853 /nfs/dbraw/zinc/15/28/53/911152853.db2.gz WQCQAOMFEBYEAZ-UHFFFAOYSA-N 0 0 412.414 4.247 20 5 HIBDRN CSc1ccc(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000502274018 911223340 /nfs/dbraw/zinc/22/33/40/911223340.db2.gz MJMHNHCPTMISSI-CQSZACIVSA-N 0 0 406.435 4.266 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000502278629 911229053 /nfs/dbraw/zinc/22/90/53/911229053.db2.gz MMCUFLOCNPCYAD-OAHLLOKOSA-N 0 0 400.475 4.488 20 5 HIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000502346399 911326852 /nfs/dbraw/zinc/32/68/52/911326852.db2.gz PCFPCVMGCOTNQX-AWEZNQCLSA-N 0 0 406.433 4.109 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2OC)cc1 ZINC000502375160 911360473 /nfs/dbraw/zinc/36/04/73/911360473.db2.gz PTXXDBGPHHNMSD-JOCHJYFZSA-N 0 0 422.437 4.140 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N[C@H]3CCCCC[C@H]3C(N)=O)c([N+](=O)[O-])c2)cc1 ZINC000502380634 911367383 /nfs/dbraw/zinc/36/73/83/911367383.db2.gz VRNJMNKPJJCPKL-MSOLQXFVSA-N 0 0 410.474 4.002 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(Nc3ccccc3)nc2)cc([N+](=O)[O-])c1 ZINC000502450084 911437593 /nfs/dbraw/zinc/43/75/93/911437593.db2.gz NFRDCKXRIYAQCD-UHFFFAOYSA-N 0 0 406.398 4.162 20 5 HIBDRN CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000502475560 911470500 /nfs/dbraw/zinc/47/05/00/911470500.db2.gz VZLOCKLSNYDHHQ-UHFFFAOYSA-N 0 0 422.485 4.127 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N(Cc1csc(Br)c1)C1CC1 ZINC000502484978 911483211 /nfs/dbraw/zinc/48/32/11/911483211.db2.gz NTLZKQOVTLLMMG-UHFFFAOYSA-N 0 0 424.320 4.336 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000502516778 911518548 /nfs/dbraw/zinc/51/85/48/911518548.db2.gz KUHDSCLHEFPJJG-UHFFFAOYSA-N 0 0 415.515 4.068 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000502538266 911544241 /nfs/dbraw/zinc/54/42/41/911544241.db2.gz DXQAYLFYJKFJFI-UHFFFAOYSA-N 0 0 415.515 4.424 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Cn1ccnc1 ZINC000502566511 911573264 /nfs/dbraw/zinc/57/32/64/911573264.db2.gz CDFGQXQVBYQJLJ-UHFFFAOYSA-N 0 0 410.499 4.272 20 5 HIBDRN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000502674660 911716874 /nfs/dbraw/zinc/71/68/74/911716874.db2.gz BSQIXHMQRGTIOS-UHFFFAOYSA-N 0 0 418.425 4.157 20 5 HIBDRN Cc1nc(NC(=O)CC(=Cc2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n[nH]1 ZINC000502694119 911731111 /nfs/dbraw/zinc/73/11/11/911731111.db2.gz ZKIIOWXSLDHLAY-GXDHUFHOSA-N 0 0 420.454 4.200 20 5 HIBDRN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000502694205 911731475 /nfs/dbraw/zinc/73/14/75/911731475.db2.gz OJSMHFZIZWJRLE-UHFFFAOYSA-N 0 0 418.425 4.157 20 5 HIBDRN C[C@H](c1ccccc1Cl)N(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C1CC1 ZINC000513291779 921690314 /nfs/dbraw/zinc/69/03/14/921690314.db2.gz QSPVVAJTMRSXBN-GFCCVEGCSA-N 0 0 422.890 4.018 20 5 HIBDRN C[C@H](c1ccccc1)N(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000502768500 911791789 /nfs/dbraw/zinc/79/17/89/911791789.db2.gz AFEXTLLKBLCJFF-MRXNPFEDSA-N 0 0 417.421 4.297 20 5 HIBDRN CC[C@@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000513297994 921694648 /nfs/dbraw/zinc/69/46/48/921694648.db2.gz BYNLVEMHHZQIJS-QGZVFWFLSA-N 0 0 404.488 4.113 20 5 HIBDRN COc1cc(CSc2nc3ccccc3n2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000502846425 911855968 /nfs/dbraw/zinc/85/59/68/911855968.db2.gz DNCZBVXENXXBJG-UHFFFAOYSA-N 0 0 409.414 4.426 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)n1 ZINC000503009860 911984471 /nfs/dbraw/zinc/98/44/71/911984471.db2.gz QEKUTEKPJIWDNO-INIZCTEOSA-N 0 0 405.241 4.155 20 5 HIBDRN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)nc1 ZINC000503015262 911987167 /nfs/dbraw/zinc/98/71/67/911987167.db2.gz NHUKXVWSKHOYOP-UHFFFAOYSA-N 0 0 424.501 4.087 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)OCC)cc1 ZINC000503027075 911998714 /nfs/dbraw/zinc/99/87/14/911998714.db2.gz ORVXJEZNGMYVFY-UHFFFAOYSA-N 0 0 402.472 4.204 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)n1 ZINC000503050279 912014095 /nfs/dbraw/zinc/01/40/95/912014095.db2.gz FAFYWFNEKPUWKE-UHFFFAOYSA-N 0 0 406.320 4.392 20 5 HIBDRN CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1cc2ccccc2c2cccnc12 ZINC000513326761 921714348 /nfs/dbraw/zinc/71/43/48/921714348.db2.gz WPSKNZKBQRIYET-KRWDZBQOSA-N 0 0 408.498 4.066 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000503147641 912110971 /nfs/dbraw/zinc/11/09/71/912110971.db2.gz QNWXOGBGUUOIPR-OAQYLSRUSA-N 0 0 416.437 4.010 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513337220 921723698 /nfs/dbraw/zinc/72/36/98/921723698.db2.gz FCBGZOQQTQDREH-GOSISDBHSA-N 0 0 409.364 4.137 20 5 HIBDRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000506297359 914891389 /nfs/dbraw/zinc/89/13/89/914891389.db2.gz FWWQHEFARQADDN-UHFFFAOYSA-N 0 0 420.828 4.270 20 5 HIBDRN CN(C[C@H]1OCCc2ccccc21)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000506305510 914897093 /nfs/dbraw/zinc/89/70/93/914897093.db2.gz NDZMMMBBHBVGLT-LJQANCHMSA-N 0 0 409.467 4.104 20 5 HIBDRN COc1ccc([C@H]2C[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)cc1F ZINC000506322269 914924496 /nfs/dbraw/zinc/92/44/96/914924496.db2.gz QCUQDPCIQIGRCH-HAQNSBGRSA-N 0 0 410.348 4.020 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000513353164 921733797 /nfs/dbraw/zinc/73/37/97/921733797.db2.gz HYNMYZAIRVCCAV-UHFFFAOYSA-N 0 0 407.348 4.289 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CSc2ncnc3c2cnn3Cc2ccccc2)c(F)c1 ZINC000506371761 914996692 /nfs/dbraw/zinc/99/66/92/914996692.db2.gz WSCVBROYRKAEAR-UHFFFAOYSA-N 0 0 413.409 4.353 20 5 HIBDRN O=C(CC1CCCC1)N1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506460782 915059155 /nfs/dbraw/zinc/05/91/55/915059155.db2.gz QQGIDNRATKEDQN-UHFFFAOYSA-N 0 0 411.502 4.469 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2C(=O)COc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC000506541736 915189590 /nfs/dbraw/zinc/18/95/90/915189590.db2.gz YEPBXLAQPCHKEI-QGZVFWFLSA-N 0 0 419.865 4.175 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000506563787 915213450 /nfs/dbraw/zinc/21/34/50/915213450.db2.gz SLMQAYBZORVNCZ-CYBMUJFWSA-N 0 0 422.235 4.011 20 5 HIBDRN COc1ccc(CN(CC2CC2)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(OC)c1 ZINC000506626301 915288839 /nfs/dbraw/zinc/28/88/39/915288839.db2.gz KQWHURLBDWAUTR-UHFFFAOYSA-N 0 0 409.442 4.146 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000506640953 915311317 /nfs/dbraw/zinc/31/13/17/915311317.db2.gz CUBXBYHVNPGVFI-UHFFFAOYSA-N 0 0 420.425 4.177 20 5 HIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000506653747 915325379 /nfs/dbraw/zinc/32/53/79/915325379.db2.gz LTRFYFYVJCHKTP-UHFFFAOYSA-N 0 0 402.401 4.452 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000506680313 915356385 /nfs/dbraw/zinc/35/63/85/915356385.db2.gz MKZNEXQOZOWUOE-UHFFFAOYSA-N 0 0 420.425 4.177 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2cccc(COc3ccc(F)cc3)c2)cc1[N+](=O)[O-] ZINC000506702935 915377347 /nfs/dbraw/zinc/37/73/47/915377347.db2.gz QILUZEATUXAIQY-UHFFFAOYSA-N 0 0 423.400 4.199 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(-c4cccc(Cl)c4)o3)cc2N1 ZINC000506793306 915524144 /nfs/dbraw/zinc/52/41/44/915524144.db2.gz BOENKCAJYHUSBJ-UHFFFAOYSA-N 0 0 402.819 4.334 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(Nc3ccc4nc(N5CCCC5)sc4c3)cc2N1 ZINC000506811269 915568080 /nfs/dbraw/zinc/56/80/80/915568080.db2.gz IJZOZYWMEKWNRK-UHFFFAOYSA-N 0 0 409.471 4.433 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(Nc4ccccc4F)s3)cc2N1 ZINC000506821830 915585990 /nfs/dbraw/zinc/58/59/90/915585990.db2.gz RAQRZCZMHGUZBE-UHFFFAOYSA-N 0 0 417.447 4.365 20 5 HIBDRN CC(C)(C)Oc1cccc(C[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000506881497 915674258 /nfs/dbraw/zinc/67/42/58/915674258.db2.gz OZXDJFMFWAQQRS-LJAQVGFWSA-N 0 0 415.471 4.271 20 5 HIBDRN CCN(C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000513426757 921797017 /nfs/dbraw/zinc/79/70/17/921797017.db2.gz 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ZINC000534261563 932370926 /nfs/dbraw/zinc/37/09/26/932370926.db2.gz DKGMXLUMKVVAPJ-UHFFFAOYSA-N 0 0 415.453 4.056 20 5 HIBDRN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000534300354 932378525 /nfs/dbraw/zinc/37/85/25/932378525.db2.gz VFVIYOXMPZSHGM-QWRGUYRKSA-N 0 0 410.348 4.264 20 5 HIBDRN CCCOc1cc(NC(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OCCC ZINC000534326607 932383539 /nfs/dbraw/zinc/38/35/39/932383539.db2.gz KXDRHMSEQJZLQX-QDMKHBRRSA-N 0 0 409.483 4.250 20 5 HIBDRN CN1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534391448 932415870 /nfs/dbraw/zinc/41/58/70/932415870.db2.gz KQRNSKIXEXVEPI-IEBWSBKVSA-N 0 0 416.840 4.044 20 5 HIBDRN CN1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534394675 932419628 /nfs/dbraw/zinc/41/96/28/932419628.db2.gz VFWOXKOVUQLCRR-HNAYVOBHSA-N 0 0 416.840 4.044 20 5 HIBDRN CCOc1ccc(Cl)cc1CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000534481910 932518715 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407.348 4.176 20 5 HIBDRN Cc1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1[C@H]1CCC[C@H](C)C1 ZINC000534607849 932591932 /nfs/dbraw/zinc/59/19/32/932591932.db2.gz BSHMGHCCDJACQX-LRDDRELGSA-N 0 0 404.492 4.405 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3nc4cc(Br)cnc4[nH]3)cs2)c1 ZINC000534638159 932612013 /nfs/dbraw/zinc/61/20/13/932612013.db2.gz MYOMIRHSZNNNAO-UHFFFAOYSA-N 0 0 402.233 4.419 20 5 HIBDRN Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(OC[C@H]2CCCO2)c1 ZINC000534735640 932704360 /nfs/dbraw/zinc/70/43/60/932704360.db2.gz JEJYXSYRLRRVCC-QGZVFWFLSA-N 0 0 409.442 4.124 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 ZINC000534742926 932714406 /nfs/dbraw/zinc/71/44/06/932714406.db2.gz WJFAZTDKCMYNLM-UHFFFAOYSA-N 0 0 420.347 4.299 20 5 HIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(Br)cc2cccnc21 ZINC000534746071 932717570 /nfs/dbraw/zinc/71/75/70/932717570.db2.gz XGLSFDDJYCKUHT-UHFFFAOYSA-N 0 0 412.203 4.034 20 5 HIBDRN 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CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)Cc1ccccc1 ZINC000538606981 938660377 /nfs/dbraw/zinc/66/03/77/938660377.db2.gz PLCODNKSTWELRV-OAHLLOKOSA-N 0 0 400.500 4.417 20 5 HIBDRN CCc1nnc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000538609149 938660645 /nfs/dbraw/zinc/66/06/45/938660645.db2.gz VNDFVQUDPOXOLH-UHFFFAOYSA-N 0 0 406.471 4.474 20 5 HIBDRN CCN(Cc1ccccc1Br)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000538612721 938661486 /nfs/dbraw/zinc/66/14/86/938661486.db2.gz XOPGBOJUYPIEHB-UHFFFAOYSA-N 0 0 406.280 4.132 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CNC(=O)CCC)C1 ZINC000538622320 938664420 /nfs/dbraw/zinc/66/44/20/938664420.db2.gz ZRXOCIUOFVMQDV-INIZCTEOSA-N 0 0 421.563 4.256 20 5 HIBDRN O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)Nc1nc(-c2cccs2)cs1 ZINC000538658860 938675774 /nfs/dbraw/zinc/67/57/74/938675774.db2.gz SNNZLTLLWPSRNW-UHFFFAOYSA-N 0 0 411.468 4.282 20 5 HIBDRN O=C(N[C@H](CO)c1cccc(F)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000538699152 938686315 /nfs/dbraw/zinc/68/63/15/938686315.db2.gz RERRTHWMHQRGMO-HXUWFJFHSA-N 0 0 412.442 4.349 20 5 HIBDRN C[C@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1 ZINC000538700966 938686654 /nfs/dbraw/zinc/68/66/54/938686654.db2.gz SMNFBPUEHJSJAE-GFCCVEGCSA-N 0 0 409.269 4.469 20 5 HIBDRN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000538708514 938687540 /nfs/dbraw/zinc/68/75/40/938687540.db2.gz VCRAFWALBNYELO-UHFFFAOYSA-N 0 0 424.360 4.030 20 5 HIBDRN O=[N+]([O-])c1cccc2c1CCN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)C2 ZINC000538728368 938693774 /nfs/dbraw/zinc/69/37/74/938693774.db2.gz PGIMHGKIKYPBNI-UHFFFAOYSA-N 0 0 411.465 4.401 20 5 HIBDRN Cc1nn2c(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c(C(C)C)nc2s1 ZINC000538735116 938696539 /nfs/dbraw/zinc/69/65/39/938696539.db2.gz YLLFFTGFEUHKND-UHFFFAOYSA-N 0 0 415.519 4.174 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCOc2ccccc2-c2ccccc2)s1 ZINC000538743519 938699283 /nfs/dbraw/zinc/69/92/83/938699283.db2.gz KIJWNEYYKDOQGT-UHFFFAOYSA-N 0 0 418.496 4.218 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000538761047 938704019 /nfs/dbraw/zinc/70/40/19/938704019.db2.gz FHVNJVCCKXUDAZ-CQSZACIVSA-N 0 0 402.447 4.037 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000538766294 938705475 /nfs/dbraw/zinc/70/54/75/938705475.db2.gz JUCCNRRDQXZEIL-YLJYHZDGSA-N 0 0 401.894 4.349 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H](OC)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538805609 938717356 /nfs/dbraw/zinc/71/73/56/938717356.db2.gz IKRCGRVDZDBRJU-HNNXBMFYSA-N 0 0 420.849 4.300 20 5 HIBDRN COc1cc(CN(C)Cc2cc(Cl)cn2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000538812692 938719413 /nfs/dbraw/zinc/71/94/13/938719413.db2.gz BJXSTJHOYGXKHI-UHFFFAOYSA-N 0 0 421.803 4.168 20 5 HIBDRN CN(C(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000538827292 938720798 /nfs/dbraw/zinc/72/07/98/938720798.db2.gz SZHLVLRKKKKWAZ-SFHVURJKSA-N 0 0 418.291 4.157 20 5 HIBDRN O=C(c1cccc(NC/C=C\c2ccccc2[N+](=O)[O-])c1)N1CCCC[C@H]1CCO ZINC000538834647 938722424 /nfs/dbraw/zinc/72/24/24/938722424.db2.gz KFPWZPLDGCIZFA-AVKJRPAMSA-N 0 0 409.486 4.097 20 5 HIBDRN O=C(Nc1nncn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000538857435 938726248 /nfs/dbraw/zinc/72/62/48/938726248.db2.gz WHTAJQPBGOQXHI-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN COc1ccc(-c2ccc(CNc3cccc([C@@H]4CNC(=O)C4)c3)o2)c([N+](=O)[O-])c1 ZINC000538857029 938726264 /nfs/dbraw/zinc/72/62/64/938726264.db2.gz JOCWFEIXYRUIFB-HNNXBMFYSA-N 0 0 407.426 4.079 20 5 HIBDRN COCCn1ccc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc21 ZINC000538864525 938727665 /nfs/dbraw/zinc/72/76/65/938727665.db2.gz GWLBQYIOCGSEIK-CYBMUJFWSA-N 0 0 417.849 4.255 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538902066 938734027 /nfs/dbraw/zinc/73/40/27/938734027.db2.gz ILHACYVPRUGXNT-CWTRNNRKSA-N 0 0 410.829 4.049 20 5 HIBDRN CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000563484147 945200423 /nfs/dbraw/zinc/20/04/23/945200423.db2.gz ZGHKJBDEWRLWJQ-GOSISDBHSA-N 0 0 419.275 4.350 20 5 HIBDRN Cc1nnc(N(CCC(C)C)C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000539002539 938765657 /nfs/dbraw/zinc/76/56/57/938765657.db2.gz DXDCKTNCUJDYEA-UHFFFAOYSA-N 0 0 408.458 4.305 20 5 HIBDRN Cc1c([C@H](C)NCc2ccccc2[N+](=O)[O-])nnn1-c1cccc(Br)c1 ZINC000539019774 938770895 /nfs/dbraw/zinc/77/08/95/938770895.db2.gz ODRRWGXOXNGGNZ-LBPRGKRZSA-N 0 0 416.279 4.097 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000539029491 938773743 /nfs/dbraw/zinc/77/37/43/938773743.db2.gz CZGRXBNGHLELDL-CXAGYDPISA-N 0 0 407.373 4.096 20 5 HIBDRN COc1ccccc1[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000539059540 938787233 /nfs/dbraw/zinc/78/72/33/938787233.db2.gz PPDPCESDFUUYAW-OYHNWAKOSA-N 0 0 409.442 4.293 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000563492297 945204170 /nfs/dbraw/zinc/20/41/70/945204170.db2.gz ZQKWMWMVZYUFEO-MRXNPFEDSA-N 0 0 424.478 4.311 20 5 HIBDRN CCN1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539124459 938806561 /nfs/dbraw/zinc/80/65/61/938806561.db2.gz FKMKPWYROXVEOG-AEFFLSMTSA-N 0 0 409.820 4.092 20 5 HIBDRN CCCN1C(=O)CCc2cc(NC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000539132349 938808409 /nfs/dbraw/zinc/80/84/09/938808409.db2.gz OXFJTLCTVBJMGS-UHFFFAOYSA-N 0 0 424.501 4.428 20 5 HIBDRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000539142792 938810368 /nfs/dbraw/zinc/81/03/68/938810368.db2.gz MQFTZHUEDDYHRP-SJKOYZFVSA-N 0 0 407.264 4.172 20 5 HIBDRN O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Nc1ccnn1CC1CCCCC1 ZINC000539249110 938825527 /nfs/dbraw/zinc/82/55/27/938825527.db2.gz GQRLEFLVYUPAAP-UHFFFAOYSA-N 0 0 416.869 4.013 20 5 HIBDRN C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539262916 938829484 /nfs/dbraw/zinc/82/94/84/938829484.db2.gz OMEUOOYDLPYIFH-LSDHHAIUSA-N 0 0 404.430 4.242 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000539297116 938835851 /nfs/dbraw/zinc/83/58/51/938835851.db2.gz GJMXKWSVFUDGNF-NSHDSACASA-N 0 0 401.444 4.067 20 5 HIBDRN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)cc2)n1 ZINC000539339735 938845017 /nfs/dbraw/zinc/84/50/17/938845017.db2.gz LOIVJBZQWAYKLV-UHFFFAOYSA-N 0 0 424.482 4.406 20 5 HIBDRN C[C@H](NC(=O)CCSc1ccc2c(c1)OCCCO2)c1ccccc1[N+](=O)[O-] ZINC000539349534 938846326 /nfs/dbraw/zinc/84/63/26/938846326.db2.gz XZGINKMVNZFGQU-AWEZNQCLSA-N 0 0 402.472 4.116 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000539352312 938846820 /nfs/dbraw/zinc/84/68/20/938846820.db2.gz DDSJVXKOLLNIEG-SFHVURJKSA-N 0 0 401.850 4.071 20 5 HIBDRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000539352485 938846862 /nfs/dbraw/zinc/84/68/62/938846862.db2.gz KURZWKCSVKXTPQ-MRXNPFEDSA-N 0 0 424.478 4.060 20 5 HIBDRN COc1ccc(CCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1F ZINC000539353448 938847124 /nfs/dbraw/zinc/84/71/24/938847124.db2.gz KRUMRRKDLYZITJ-UHFFFAOYSA-N 0 0 415.446 4.462 20 5 HIBDRN CN(C(=O)c1csc([C@@H]2CCCO2)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539353834 938847149 /nfs/dbraw/zinc/84/71/49/938847149.db2.gz WHRZCHOPDBAADE-HNNXBMFYSA-N 0 0 416.484 4.303 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000539357845 938847964 /nfs/dbraw/zinc/84/79/64/938847964.db2.gz KWPHLKCTQFTQND-HNNXBMFYSA-N 0 0 403.508 4.075 20 5 HIBDRN COc1ccc(NC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000539360512 938848407 /nfs/dbraw/zinc/84/84/07/938848407.db2.gz HPKBFXOBOKYFJA-NRFANRHFSA-N 0 0 423.444 4.255 20 5 HIBDRN COc1cccc(F)c1[C@@H](C)NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000539360767 938848510 /nfs/dbraw/zinc/84/85/10/938848510.db2.gz RMXTYJYQLRSZKL-SNVBAGLBSA-N 0 0 400.353 4.203 20 5 HIBDRN COc1ccc(NC(=O)CN[C@H](Cc2ccccc2)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000539360513 938848561 /nfs/dbraw/zinc/84/85/61/938848561.db2.gz HPKBFXOBOKYFJA-OAQYLSRUSA-N 0 0 423.444 4.255 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000539383437 938852314 /nfs/dbraw/zinc/85/23/14/938852314.db2.gz NHUQUTYNXDFEPH-SFHVURJKSA-N 0 0 417.893 4.214 20 5 HIBDRN COc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1Br ZINC000539412581 938856863 /nfs/dbraw/zinc/85/68/63/938856863.db2.gz URMUEOUKIKNJSQ-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000539414554 938857064 /nfs/dbraw/zinc/85/70/64/938857064.db2.gz AVLNQNLQNADMBK-GFCCVEGCSA-N 0 0 407.264 4.117 20 5 HIBDRN C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc([S@](C)=O)cc1 ZINC000539529888 938874057 /nfs/dbraw/zinc/87/40/57/938874057.db2.gz FIERJQICHSXNTR-QWVSSGJLSA-N 0 0 401.513 4.307 20 5 HIBDRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000539564996 938880904 /nfs/dbraw/zinc/88/09/04/938880904.db2.gz GQTQSBHWCDBZLP-UHFFFAOYSA-N 0 0 424.284 4.010 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(F)cc2c1OCOC2 ZINC000539633610 938891264 /nfs/dbraw/zinc/89/12/64/938891264.db2.gz LZHXQFCUIDPNLU-UHFFFAOYSA-N 0 0 420.462 4.423 20 5 HIBDRN Cc1cc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nn1-c1ccccc1Cl ZINC000539635684 938891483 /nfs/dbraw/zinc/89/14/83/938891483.db2.gz CGIVDOGJCYCUFE-UHFFFAOYSA-N 0 0 410.821 4.404 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(CC)nn(C)c1CC ZINC000539642734 938892562 /nfs/dbraw/zinc/89/25/62/938892562.db2.gz YMAJOHJZQRLBDC-UHFFFAOYSA-N 0 0 404.536 4.275 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)c([N+](=O)[O-])cc1OC ZINC000539646973 938893257 /nfs/dbraw/zinc/89/32/57/938893257.db2.gz OHYDQMABLSTCFA-UHFFFAOYSA-N 0 0 416.821 4.012 20 5 HIBDRN O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000539682516 938899958 /nfs/dbraw/zinc/89/99/58/938899958.db2.gz QHFBBTSIWJKTLC-CQSZACIVSA-N 0 0 409.211 4.140 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1 ZINC000539762227 938927655 /nfs/dbraw/zinc/92/76/55/938927655.db2.gz XVXOBVHWTAPTCJ-QFIPXVFZSA-N 0 0 420.469 4.221 20 5 HIBDRN CCOc1ccccc1[C@H](CC)NC(=O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000539762276 938927690 /nfs/dbraw/zinc/92/76/90/938927690.db2.gz ZGLINWWULLSHJG-FQEVSTJZSA-N 0 0 408.458 4.125 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000539815883 938941304 /nfs/dbraw/zinc/94/13/04/938941304.db2.gz IOMURNJZFBIMED-LBPRGKRZSA-N 0 0 411.439 4.027 20 5 HIBDRN Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Oc1cccnc1 ZINC000539838631 938953708 /nfs/dbraw/zinc/95/37/08/938953708.db2.gz URSSPAOEHIPQOR-SFHVURJKSA-N 0 0 405.458 4.172 20 5 HIBDRN CO[C@H](C)c1noc(CN(C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)n1 ZINC000539857627 938959130 /nfs/dbraw/zinc/95/91/30/938959130.db2.gz YUTHHFJLLQGINP-CYBMUJFWSA-N 0 0 416.409 4.249 20 5 HIBDRN NC(=O)c1c(F)cc(Br)cc1NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000539859986 938960102 /nfs/dbraw/zinc/96/01/02/938960102.db2.gz BRMCLRWPQDGPHC-UHFFFAOYSA-N 0 0 410.243 4.030 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n(-c2ccccc2)n1 ZINC000539867398 938961810 /nfs/dbraw/zinc/96/18/10/938961810.db2.gz UJMZCKUBIKPFGL-MRXNPFEDSA-N 0 0 406.486 4.375 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccnc(OCC(F)F)c2)no1 ZINC000563568007 945218798 /nfs/dbraw/zinc/21/87/98/945218798.db2.gz DUVZLXJBFJGLEZ-ZDUSSCGKSA-N 0 0 404.373 4.420 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000539888879 938966548 /nfs/dbraw/zinc/96/65/48/938966548.db2.gz WCYIWQGWKOQUAO-INIZCTEOSA-N 0 0 415.877 4.099 20 5 HIBDRN Cc1nc(-c2ccc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])s2)cs1 ZINC000539888840 938966934 /nfs/dbraw/zinc/96/69/34/938966934.db2.gz TYNCINHNBIZBRT-UHFFFAOYSA-N 0 0 415.543 4.165 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCCc2cccc(C(F)(F)F)c2)s1 ZINC000539890228 938967349 /nfs/dbraw/zinc/96/73/49/938967349.db2.gz XNKKPHIWIPNVQX-UHFFFAOYSA-N 0 0 408.423 4.123 20 5 HIBDRN C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000539889919 938967462 /nfs/dbraw/zinc/96/74/62/938967462.db2.gz USFBEYATRZODCG-SECBINFHSA-N 0 0 424.422 4.174 20 5 HIBDRN CN1CC(=O)N(c2cccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)c2)C1=O ZINC000539932917 938979048 /nfs/dbraw/zinc/97/90/48/938979048.db2.gz ZTSGGTUIDSOTCP-UHFFFAOYSA-N 0 0 422.466 4.334 20 5 HIBDRN Cn1cc(CNc2cccc(C(=O)N3CCCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539933771 938979068 /nfs/dbraw/zinc/97/90/68/938979068.db2.gz SFSVRXOQFBDJQW-UHFFFAOYSA-N 0 0 419.485 4.234 20 5 HIBDRN Cc1cc(N2CCSCC2)ccc1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539935573 938979151 /nfs/dbraw/zinc/97/91/51/938979151.db2.gz HZTCPFRMCVYDGN-UHFFFAOYSA-N 0 0 423.542 4.469 20 5 HIBDRN CCCc1cc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)n(C)n1 ZINC000540060563 939054384 /nfs/dbraw/zinc/05/43/84/939054384.db2.gz PWXPABZREYQDFO-UHFFFAOYSA-N 0 0 417.516 4.449 20 5 HIBDRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540073842 939059692 /nfs/dbraw/zinc/05/96/92/939059692.db2.gz UCQJWNVKQQTJAE-BXTJHSDWSA-N 0 0 401.463 4.048 20 5 HIBDRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000540097036 939069308 /nfs/dbraw/zinc/06/93/08/939069308.db2.gz WALMNHFXOGFUFY-VFNWGFHPSA-N 0 0 413.474 4.054 20 5 HIBDRN Cc1nnc(N(CCC(C)C)C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000540102869 939072625 /nfs/dbraw/zinc/07/26/25/939072625.db2.gz CWLUTGQWBUQJGR-UHFFFAOYSA-N 0 0 408.458 4.305 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000540123908 939081252 /nfs/dbraw/zinc/08/12/52/939081252.db2.gz XSVYWVQUKZPSKK-ZFWWWQNUSA-N 0 0 410.396 4.193 20 5 HIBDRN CCCN1C(=O)CCc2cc(NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc21 ZINC000540232251 939152752 /nfs/dbraw/zinc/15/27/52/939152752.db2.gz QERZUTYHCYQIQO-OAHLLOKOSA-N 0 0 410.474 4.475 20 5 HIBDRN CC[C@H](CSC)Nc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] ZINC000540336399 939199003 /nfs/dbraw/zinc/19/90/03/939199003.db2.gz XTGQMNZGJUYYSR-CQSZACIVSA-N 0 0 402.472 4.166 20 5 HIBDRN C[C@@H](NC(=O)NCc1ccccc1CN(C)Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000540344164 939201298 /nfs/dbraw/zinc/20/12/98/939201298.db2.gz DYDPBICCYXECGU-QGZVFWFLSA-N 0 0 422.485 4.380 20 5 HIBDRN COC(=O)c1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)CC2 ZINC000540421909 939242872 /nfs/dbraw/zinc/24/28/72/939242872.db2.gz JEXFMYZJLAJJBF-UHFFFAOYSA-N 0 0 414.483 4.080 20 5 HIBDRN Cc1ccc(C)c(Cc2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 ZINC000563652935 945237956 /nfs/dbraw/zinc/23/79/56/945237956.db2.gz WTFRGBINTUJWJQ-FQEVSTJZSA-N 0 0 420.469 4.471 20 5 HIBDRN CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1Cl ZINC000540434952 939247569 /nfs/dbraw/zinc/24/75/69/939247569.db2.gz KNQPCUQTWAUSGI-UHFFFAOYSA-N 0 0 407.879 4.361 20 5 HIBDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])c12 ZINC000540450622 939255142 /nfs/dbraw/zinc/25/51/42/939255142.db2.gz TVMVIALSLYDULQ-CQSZACIVSA-N 0 0 415.453 4.343 20 5 HIBDRN CCOC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000540452782 939255817 /nfs/dbraw/zinc/25/58/17/939255817.db2.gz CTCOOQITYKXCSB-UHFFFAOYSA-N 0 0 402.472 4.453 20 5 HIBDRN C[C@H](NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000540461415 939261921 /nfs/dbraw/zinc/26/19/21/939261921.db2.gz OTWXZJBINJKNKX-INIZCTEOSA-N 0 0 403.438 4.362 20 5 HIBDRN Cc1ccc([C@@H](C)NCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000540480065 939269287 /nfs/dbraw/zinc/26/92/87/939269287.db2.gz GEBQXMHWFPLSES-DNVCBOLYSA-N 0 0 422.441 4.118 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000540490303 939272857 /nfs/dbraw/zinc/27/28/57/939272857.db2.gz BBISQXIPZBCYPC-VQTJNVASSA-N 0 0 419.428 4.025 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2Cl)n[nH]1 ZINC000540511595 939282347 /nfs/dbraw/zinc/28/23/47/939282347.db2.gz VWXOFIQPIBBHDF-SNVBAGLBSA-N 0 0 417.878 4.461 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000540513742 939283681 /nfs/dbraw/zinc/28/36/81/939283681.db2.gz LNHPTMTVFALEGN-UHFFFAOYSA-N 0 0 403.851 4.316 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCO[C@@H](CCc2ccccc2)C1 ZINC000540566955 939306777 /nfs/dbraw/zinc/30/67/77/939306777.db2.gz JPCPRYSMOFSSSJ-FQEVSTJZSA-N 0 0 417.465 4.131 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000540567741 939307272 /nfs/dbraw/zinc/30/72/72/939307272.db2.gz QYEJERNRJUKUGF-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c1 ZINC000540596425 939314917 /nfs/dbraw/zinc/31/49/17/939314917.db2.gz NRUNMNOBRRDRTM-INIZCTEOSA-N 0 0 410.474 4.480 20 5 HIBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N(Cc1cccc2ccccc21)c1ccccc1 ZINC000540716269 939346722 /nfs/dbraw/zinc/34/67/22/939346722.db2.gz HLLXFVLRPMMKBM-UHFFFAOYSA-N 0 0 413.433 4.143 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000540748761 939357790 /nfs/dbraw/zinc/35/77/90/939357790.db2.gz WAQARTAUAZPARS-UHFFFAOYSA-N 0 0 423.516 4.111 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3C3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000540823767 939384632 /nfs/dbraw/zinc/38/46/32/939384632.db2.gz XZJAHHOISKAXTK-HLIPFELVSA-N 0 0 415.534 4.108 20 5 HIBDRN O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000540879849 939409040 /nfs/dbraw/zinc/40/90/40/939409040.db2.gz MGUJFKRSLOJTRH-UHFFFAOYSA-N 0 0 406.876 4.027 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000540891859 939412035 /nfs/dbraw/zinc/41/20/35/939412035.db2.gz NXZVIENIUXDPPV-AWEZNQCLSA-N 0 0 408.285 4.229 20 5 HIBDRN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)nc2c1 ZINC000540920218 939417553 /nfs/dbraw/zinc/41/75/53/939417553.db2.gz PMLLTBGAZCGZQM-INIZCTEOSA-N 0 0 416.384 4.358 20 5 HIBDRN CC(C)[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1F ZINC000540988366 939425698 /nfs/dbraw/zinc/42/56/98/939425698.db2.gz CZBKMHZNIMOVBV-QGZVFWFLSA-N 0 0 400.859 4.204 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000541004900 939429474 /nfs/dbraw/zinc/42/94/74/939429474.db2.gz ICAFQNYVQIMTLI-SNVBAGLBSA-N 0 0 410.377 4.118 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)c[nH]1 ZINC000541012972 939431312 /nfs/dbraw/zinc/43/13/12/939431312.db2.gz IDLUFYSGWCJXOW-CQSZACIVSA-N 0 0 416.384 4.467 20 5 HIBDRN CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)CCC2 ZINC000541030816 939435718 /nfs/dbraw/zinc/43/57/18/939435718.db2.gz RFEDFPPIKNKIDP-GFCCVEGCSA-N 0 0 411.430 4.365 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2cccc(CCCO)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000541058565 939445149 /nfs/dbraw/zinc/44/51/49/939445149.db2.gz QKMGWARTTBZQHQ-INIZCTEOSA-N 0 0 420.469 4.340 20 5 HIBDRN CCCN(Cc1c(F)cccc1Cl)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000541161096 939482013 /nfs/dbraw/zinc/48/20/13/939482013.db2.gz IGSUKNYQDQGKRV-UHFFFAOYSA-N 0 0 406.888 4.269 20 5 HIBDRN CC(C)(C)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541166569 939483914 /nfs/dbraw/zinc/48/39/14/939483914.db2.gz JHNFRTRFDWBZSM-NVXWUHKLSA-N 0 0 408.861 4.059 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2cccs2)Cc2cccs2)s1 ZINC000541187363 939484895 /nfs/dbraw/zinc/48/48/95/939484895.db2.gz PDLTXQZWBQZILS-UHFFFAOYSA-N 0 0 414.555 4.390 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000541260264 939488125 /nfs/dbraw/zinc/48/81/25/939488125.db2.gz KQJBTRDWCKSKMB-QGZVFWFLSA-N 0 0 404.463 4.034 20 5 HIBDRN COc1ccc(-n2ccnc2SCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 ZINC000541291313 939489606 /nfs/dbraw/zinc/48/96/06/939489606.db2.gz VDBKCYHVOJIZFH-UHFFFAOYSA-N 0 0 413.455 4.256 20 5 HIBDRN COc1cc(OC)c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000541304566 939490214 /nfs/dbraw/zinc/49/02/14/939490214.db2.gz CZTSDCKUICLSBV-UHFFFAOYSA-N 0 0 400.815 4.135 20 5 HIBDRN C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000541396771 939504827 /nfs/dbraw/zinc/50/48/27/939504827.db2.gz UVYMHOUNVBWYKH-GUYCJALGSA-N 0 0 406.891 4.329 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000541474199 939530605 /nfs/dbraw/zinc/53/06/05/939530605.db2.gz WZEVVMFVJQQRCK-CYBMUJFWSA-N 0 0 408.863 4.197 20 5 HIBDRN CC(C)n1nnnc1-c1ccccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000541499470 939537661 /nfs/dbraw/zinc/53/76/61/939537661.db2.gz PCFSPASIYRSGHP-UHFFFAOYSA-N 0 0 421.461 4.026 20 5 HIBDRN C[C@@H](C(=O)NCc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541576729 939559054 /nfs/dbraw/zinc/55/90/54/939559054.db2.gz QOHVACVESFRIKH-LLVKDONJSA-N 0 0 400.328 4.095 20 5 HIBDRN Cc1c(Br)c(N2CCC[C@@H]2c2cccc(N(C)C)c2)ncc1[N+](=O)[O-] ZINC000541576288 939559198 /nfs/dbraw/zinc/55/91/98/939559198.db2.gz GDPDMYZFMRAOIL-OAHLLOKOSA-N 0 0 405.296 4.468 20 5 HIBDRN Cc1c(Br)c(N2CCC[C@H]2c2cccc3c2OCCO3)ncc1[N+](=O)[O-] ZINC000541578402 939559589 /nfs/dbraw/zinc/55/95/89/939559589.db2.gz LDPHIDWAHNTVHQ-ZDUSSCGKSA-N 0 0 420.263 4.173 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1I)c1ccc([N+](=O)[O-])cc1F ZINC000541585324 939560523 /nfs/dbraw/zinc/56/05/23/939560523.db2.gz DOTFZMFJWKKOTI-VIFPVBQESA-N 0 0 414.174 4.081 20 5 HIBDRN Cc1nc([C@H]2CCCCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000541592023 939562174 /nfs/dbraw/zinc/56/21/74/939562174.db2.gz DHCBOCREDWGERU-CYBMUJFWSA-N 0 0 410.883 4.176 20 5 HIBDRN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)NC1CCCCC1 ZINC000541604844 939567172 /nfs/dbraw/zinc/56/71/72/939567172.db2.gz BTUHNYPIKSUDAB-UHFFFAOYSA-N 0 0 419.547 4.056 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541611181 939569436 /nfs/dbraw/zinc/56/94/36/939569436.db2.gz PETYCWVROOTGQK-ZDUSSCGKSA-N 0 0 420.462 4.192 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541613476 939570854 /nfs/dbraw/zinc/57/08/54/939570854.db2.gz QLYFPEGOLVBXLI-OAGGEKHMSA-N 0 0 415.465 4.085 20 5 HIBDRN C[C@H](C(=O)NCCc1nc2cc(Cl)ccc2s1)c1ccc([N+](=O)[O-])cc1F ZINC000541620700 939572807 /nfs/dbraw/zinc/57/28/07/939572807.db2.gz WHEIKQJAFPYWBI-JTQLQIEISA-N 0 0 407.854 4.459 20 5 HIBDRN C[C@H](C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541629360 939575529 /nfs/dbraw/zinc/57/55/29/939575529.db2.gz XFAQLBAQDCBJQX-LBPRGKRZSA-N 0 0 420.387 4.237 20 5 HIBDRN C[C@@H](N[C@H](C)c1nc(C2CCCCC2)no1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000541691670 939605461 /nfs/dbraw/zinc/60/54/61/939605461.db2.gz AKTCPJZBPGOXSO-CHWSQXEVSA-N 0 0 412.450 4.487 20 5 HIBDRN C[C@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1noc(Cc2ccccc2)n1 ZINC000541692203 939605763 /nfs/dbraw/zinc/60/57/63/939605763.db2.gz SOJKLJASUXQKSA-KBPBESRZSA-N 0 0 420.429 4.030 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)[nH]n1 ZINC000541724137 939614782 /nfs/dbraw/zinc/61/47/82/939614782.db2.gz LZEKCFPZOYOEDQ-CYBMUJFWSA-N 0 0 402.520 4.270 20 5 HIBDRN Cc1ccc(C(C)C)c(Oc2ccc(CNCc3cc(C(N)=O)no3)cc2[N+](=O)[O-])c1 ZINC000541763675 939624198 /nfs/dbraw/zinc/62/41/98/939624198.db2.gz RVDUCGLQZKHVGR-UHFFFAOYSA-N 0 0 424.457 4.196 20 5 HIBDRN O=C(N[C@H](c1nccs1)c1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541931575 939656805 /nfs/dbraw/zinc/65/68/05/939656805.db2.gz FHVXRYIBSOHOKY-HNNXBMFYSA-N 0 0 405.382 4.172 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3cc(C4CCCC4)nn3C)cc2[N+](=O)[O-])C1 ZINC000541937610 939658331 /nfs/dbraw/zinc/65/83/31/939658331.db2.gz QEPWRYHMEAIHLV-HNNXBMFYSA-N 0 0 411.506 4.475 20 5 HIBDRN O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541991016 939672209 /nfs/dbraw/zinc/67/22/09/939672209.db2.gz WKQRJYNPUMOCCP-UHFFFAOYSA-N 0 0 419.409 4.292 20 5 HIBDRN COc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] ZINC000542001130 939676764 /nfs/dbraw/zinc/67/67/64/939676764.db2.gz GDNMGAICRNTQKE-UHFFFAOYSA-N 0 0 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C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000563772235 945294981 /nfs/dbraw/zinc/29/49/81/945294981.db2.gz IESQJIPYRBTUOG-ZTFRIQLXSA-N 0 0 404.264 4.274 20 5 HIBDRN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000543497067 940084936 /nfs/dbraw/zinc/08/49/36/940084936.db2.gz SLYCGRXXGUFBIU-JOYOIKCWSA-N 0 0 402.398 4.138 20 5 HIBDRN CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543516050 940092411 /nfs/dbraw/zinc/09/24/11/940092411.db2.gz FZVMQXLKMURWMP-MAUKXSAKSA-N 0 0 424.375 4.328 20 5 HIBDRN COc1cc(CN2CCO[C@H](CCc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000543554419 940106895 /nfs/dbraw/zinc/10/68/95/940106895.db2.gz CIQNLQCFAQZPQI-QGZVFWFLSA-N 0 0 422.428 4.038 20 5 HIBDRN C[C@@H](C(=O)N(C)CCCc1cc(-c2ccccc2)n(C)n1)c1ccc([N+](=O)[O-])cc1F ZINC000543586771 940120591 /nfs/dbraw/zinc/12/05/91/940120591.db2.gz FMLOVSVWTLEBQZ-MRXNPFEDSA-N 0 0 424.476 4.329 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000543630090 940142167 /nfs/dbraw/zinc/14/21/67/940142167.db2.gz HLXYNVQRZULQKA-IBGZPJMESA-N 0 0 421.419 4.375 20 5 HIBDRN O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)c1sccc1Br ZINC000543637198 940144800 /nfs/dbraw/zinc/14/48/00/940144800.db2.gz BWXAFHOBKMMGAH-UHFFFAOYSA-N 0 0 400.641 4.305 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1Br ZINC000543645521 940148088 /nfs/dbraw/zinc/14/80/88/940148088.db2.gz XCKJEYHBLXPXJH-SECBINFHSA-N 0 0 412.215 4.388 20 5 HIBDRN CC(C)(C)[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000543673360 940157592 /nfs/dbraw/zinc/15/75/92/940157592.db2.gz BJYYSCLTDWQIGR-RXVVDRJESA-N 0 0 411.502 4.076 20 5 HIBDRN C[C@H](CC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1CCCCC1 ZINC000543700588 940165079 /nfs/dbraw/zinc/16/50/79/940165079.db2.gz MREQWFGYSONXNN-MRXNPFEDSA-N 0 0 413.522 4.116 20 5 HIBDRN Cc1nnc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)s1 ZINC000543728786 940170735 /nfs/dbraw/zinc/17/07/35/940170735.db2.gz CZNTZCOKKSCHJO-UHFFFAOYSA-N 0 0 409.265 4.067 20 5 HIBDRN COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000543765852 940178592 /nfs/dbraw/zinc/17/85/92/940178592.db2.gz RUTFNCFVTWXZGS-HNNXBMFYSA-N 0 0 406.442 4.312 20 5 HIBDRN CC(C)[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1F ZINC000543788454 940187172 /nfs/dbraw/zinc/18/71/72/940187172.db2.gz RKCIZCMZJGOKGX-LJQANCHMSA-N 0 0 421.856 4.021 20 5 HIBDRN CSc1cnn(-c2ccccc2)c1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543801291 940191274 /nfs/dbraw/zinc/19/12/74/940191274.db2.gz LALMMWXEOQNUHG-UHFFFAOYSA-N 0 0 420.397 4.356 20 5 HIBDRN COC(=O)c1ccc(-c2nc(CSCc3ccc(OC)c([N+](=O)[O-])c3)co2)cc1 ZINC000543861379 940214246 /nfs/dbraw/zinc/21/42/46/940214246.db2.gz LZLSWJHVCCBBBN-UHFFFAOYSA-N 0 0 414.439 4.478 20 5 HIBDRN COc1ccc(NC(=O)N[C@H]2CCc3c2cccc3Br)cc1[N+](=O)[O-] ZINC000543893054 940229563 /nfs/dbraw/zinc/22/95/63/940229563.db2.gz 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O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(OC(F)F)cc1 ZINC000544077260 940319233 /nfs/dbraw/zinc/31/92/33/940319233.db2.gz QAKAKKCJFBNKJP-UHFFFAOYSA-N 0 0 406.263 4.233 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000544108198 940328278 /nfs/dbraw/zinc/32/82/78/940328278.db2.gz ZZSHDYWOYIOZSW-LBPRGKRZSA-N 0 0 411.380 4.053 20 5 HIBDRN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl ZINC000544123095 940332052 /nfs/dbraw/zinc/33/20/52/940332052.db2.gz GKAUIBAZAAFQKU-JTQLQIEISA-N 0 0 421.277 4.165 20 5 HIBDRN O=[N+]([O-])c1cc(CN[C@@H](c2cccc(F)c2F)C(F)(F)F)c2c(c1)COCO2 ZINC000544122964 940332175 /nfs/dbraw/zinc/33/21/75/940332175.db2.gz CDHKIYQACXUMIW-INIZCTEOSA-N 0 0 404.291 4.133 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000544220001 940358145 /nfs/dbraw/zinc/35/81/45/940358145.db2.gz YEUXKZVTMKZEDI-UHFFFAOYSA-N 0 0 420.425 4.177 20 5 HIBDRN COc1cccc(C2=CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000544241571 940365084 /nfs/dbraw/zinc/36/50/84/940365084.db2.gz NVKMNLNMMJIBRE-UHFFFAOYSA-N 0 0 404.875 4.275 20 5 HIBDRN C[C@@]1(c2ccccc2)CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000544276772 940376835 /nfs/dbraw/zinc/37/68/35/940376835.db2.gz BATUYRIYSOVVRV-IBGZPJMESA-N 0 0 406.891 4.115 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N(C)CCc2ccccc2O)cc1[N+](=O)[O-])c1ccccn1 ZINC000544311773 940387092 /nfs/dbraw/zinc/38/70/92/940387092.db2.gz PCMPXYQIXDRURV-MRXNPFEDSA-N 0 0 420.469 4.183 20 5 HIBDRN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000544323081 940390388 /nfs/dbraw/zinc/39/03/88/940390388.db2.gz OYGXEXVIQLKCRB-UZUQRXQVSA-N 0 0 423.513 4.430 20 5 HIBDRN Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000544342739 940395343 /nfs/dbraw/zinc/39/53/43/940395343.db2.gz WDNNGHKQISBDRM-UHFFFAOYSA-N 0 0 411.418 4.305 20 5 HIBDRN Cc1c(Br)c(NC[C@H](c2ccccc2)C(C)(C)CO)ncc1[N+](=O)[O-] ZINC000544394242 940410839 /nfs/dbraw/zinc/41/08/39/940410839.db2.gz KLAVTDYLCCFPBG-CQSZACIVSA-N 0 0 408.296 4.275 20 5 HIBDRN COc1ccc([C@H](C)Nc2ncnc3cccc([N+](=O)[O-])c32)cc1Br ZINC000544393791 940410943 /nfs/dbraw/zinc/41/09/43/940410943.db2.gz DWDQCPSPBNGRBV-JTQLQIEISA-N 0 0 403.236 4.482 20 5 HIBDRN Cc1c(Br)c(N2CCO[C@@H](c3ccccc3Cl)C2)ncc1[N+](=O)[O-] ZINC000544398220 940411815 /nfs/dbraw/zinc/41/18/15/940411815.db2.gz YRPJDQIRCDOAAO-CQSZACIVSA-N 0 0 412.671 4.292 20 5 HIBDRN C[C@@H](C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000544401288 940412869 /nfs/dbraw/zinc/41/28/69/940412869.db2.gz KHODIRLUNJMAHM-KZULUSFZSA-N 0 0 416.840 4.130 20 5 HIBDRN Cc1c(Br)c(NCc2ccc(N3CCC(C)CC3)nc2)ncc1[N+](=O)[O-] ZINC000544410467 940416403 /nfs/dbraw/zinc/41/64/03/940416403.db2.gz LSQFQCQBLVTNLV-UHFFFAOYSA-N 0 0 420.311 4.304 20 5 HIBDRN Cc1cc(N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000544415747 940417892 /nfs/dbraw/zinc/41/78/92/940417892.db2.gz PRNFDXSOLHKGCF-ICSRJNTNSA-N 0 0 408.433 4.253 20 5 HIBDRN CCOc1cccc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1OC(F)F ZINC000544417761 940418844 /nfs/dbraw/zinc/41/88/44/940418844.db2.gz JRUZVBJUYYBXNP-LLVKDONJSA-N 0 0 412.364 4.154 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000544422348 940421196 /nfs/dbraw/zinc/42/11/96/940421196.db2.gz YFCLLECKVYNPFW-NSHDSACASA-N 0 0 423.395 4.476 20 5 HIBDRN COc1ccc([C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(F)(F)F)cc1 ZINC000544421879 940421395 /nfs/dbraw/zinc/42/13/95/940421395.db2.gz OLAGDFNWCRTFBM-QFYYESIMSA-N 0 0 400.328 4.266 20 5 HIBDRN CCC(C)(C)OCc1ccccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000544460128 940440371 /nfs/dbraw/zinc/44/03/71/940440371.db2.gz ZIIBRNVNGXAEDU-UHFFFAOYSA-N 0 0 414.458 4.252 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cl)c(C)c1 ZINC000544466168 940443464 /nfs/dbraw/zinc/44/34/64/940443464.db2.gz YBRNTMGKOXTWKQ-UHFFFAOYSA-N 0 0 422.890 4.142 20 5 HIBDRN C[C@@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cnn(C)c1 ZINC000544470060 940445147 /nfs/dbraw/zinc/44/51/47/940445147.db2.gz WWAQRTQYVJLVJO-BFUOFWGJSA-N 0 0 413.865 4.012 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(-c2nc(-c3ccnc(OCC(F)(F)F)c3)no2)c1 ZINC000544472415 940446144 /nfs/dbraw/zinc/44/61/44/940446144.db2.gz LBSNEIJFQXSKQS-UHFFFAOYSA-N 0 0 400.700 4.301 20 5 HIBDRN Cc1c2ccc(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)cc2nn1C ZINC000563904741 945321345 /nfs/dbraw/zinc/32/13/45/945321345.db2.gz NGDPVIFGMBLBQS-AWEZNQCLSA-N 0 0 407.474 4.279 20 5 HIBDRN CCOc1ccc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000544485925 940453087 /nfs/dbraw/zinc/45/30/87/940453087.db2.gz BMQOXEZNUQTXBJ-PXNSSMCTSA-N 0 0 402.422 4.125 20 5 HIBDRN COc1cc(-c2nc(-c3cccnc3OC3CCCC3)no2)cc([N+](=O)[O-])c1OC ZINC000544505272 940459092 /nfs/dbraw/zinc/45/90/92/940459092.db2.gz IPVNZTQIWMSKID-UHFFFAOYSA-N 0 0 412.402 4.045 20 5 HIBDRN COc1ccccc1-c1noc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC(C)C)n1 ZINC000544512137 940463011 /nfs/dbraw/zinc/46/30/11/940463011.db2.gz HPXFZXFTGCFDIM-CQSZACIVSA-N 0 0 412.446 4.291 20 5 HIBDRN COc1ccccc1-c1csc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000563911995 945322879 /nfs/dbraw/zinc/32/28/79/945322879.db2.gz ZHFNKAUMXKWJRE-UHFFFAOYSA-N 0 0 405.382 4.186 20 5 HIBDRN C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(Cc2ccccc2)no1 ZINC000544514574 940465840 /nfs/dbraw/zinc/46/58/40/940465840.db2.gz ZOBCIHBWKJKYIQ-CQSZACIVSA-N 0 0 405.414 4.074 20 5 HIBDRN CC(C)(C)c1noc2ncc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)cc21 ZINC000544532414 940473308 /nfs/dbraw/zinc/47/33/08/940473308.db2.gz HAFMPBGDMOLOAH-UHFFFAOYSA-N 0 0 408.418 4.133 20 5 HIBDRN COc1ccc(CCc2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc1Cl ZINC000544537151 940474541 /nfs/dbraw/zinc/47/45/41/940474541.db2.gz FAIJKAUHMBYMBE-UHFFFAOYSA-N 0 0 402.838 4.080 20 5 HIBDRN C[C@H](C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000544551470 940477483 /nfs/dbraw/zinc/47/74/83/940477483.db2.gz ASGOQSCKELDABM-NXXSPTCGSA-N 0 0 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C[C@@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000544714799 940506109 /nfs/dbraw/zinc/50/61/09/940506109.db2.gz OEHOGUCFSASTKA-LBPRGKRZSA-N 0 0 402.394 4.136 20 5 HIBDRN CC(=O)N[C@H](Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1)c1ccc(Cl)cc1 ZINC000544789940 940514397 /nfs/dbraw/zinc/51/43/97/940514397.db2.gz FYUDSYSURFMWLL-QGZVFWFLSA-N 0 0 400.822 4.027 20 5 HIBDRN CCCc1c(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cnn1-c1cc(C)ccn1 ZINC000544886911 940521766 /nfs/dbraw/zinc/52/17/66/940521766.db2.gz LCNZFUXUEZNFOF-UHFFFAOYSA-N 0 0 408.462 4.100 20 5 HIBDRN Cc1ccc(-c2noc(CSc3nnc(-c4cccs4)n3C)n2)cc1[N+](=O)[O-] ZINC000544944553 940527013 /nfs/dbraw/zinc/52/70/13/940527013.db2.gz QKAFLKYZXAWRFO-UHFFFAOYSA-N 0 0 414.472 4.103 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)c(-n2ccc(-c3nc(CC(F)(F)F)no3)n2)c(Cl)c1 ZINC000544946897 940527180 /nfs/dbraw/zinc/52/71/80/940527180.db2.gz BGUOGQHMEJADMM-UHFFFAOYSA-N 0 0 408.123 4.242 20 5 HIBDRN O=[N+]([O-])c1cnn(CCc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)c1 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QQMKYABFCSJYGN-OAHLLOKOSA-N 0 0 412.368 4.232 20 5 HIBDRN O=C(CCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccc(-c2ccccc2)cc1 ZINC000545073758 940539331 /nfs/dbraw/zinc/53/93/31/940539331.db2.gz GDOUZPNCNFQYIY-UHFFFAOYSA-N 0 0 414.421 4.446 20 5 HIBDRN CS[C@@H]1C(=O)Nc2ccc(-c3noc(-c4c[nH]c5ccc([N+](=O)[O-])cc54)n3)cc21 ZINC000545087571 940541195 /nfs/dbraw/zinc/54/11/95/940541195.db2.gz VWHIKTMWYMJVBZ-INIZCTEOSA-N 0 0 407.411 4.149 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(F)cc1OCC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000545113420 940543989 /nfs/dbraw/zinc/54/39/89/940543989.db2.gz UTZXFQVWDPFONX-UHFFFAOYSA-N 0 0 400.328 4.433 20 5 HIBDRN CC[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)C(=O)c1ccc(Cl)cc1 ZINC000545112655 940544054 /nfs/dbraw/zinc/54/40/54/940544054.db2.gz DEXFNQQGENLDLK-MRXNPFEDSA-N 0 0 417.874 4.249 20 5 HIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000545119979 940544622 /nfs/dbraw/zinc/54/46/22/940544622.db2.gz WFTCRQDQKWKXNN-AWEZNQCLSA-N 0 0 410.449 4.383 20 5 HIBDRN CC(C)(C(=O)NCc1cccc(NC(=O)C2CCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000545123003 940544978 /nfs/dbraw/zinc/54/49/78/940544978.db2.gz QMJYWWWTQUJVHZ-UHFFFAOYSA-N 0 0 413.449 4.067 20 5 HIBDRN C[C@H](Sc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)c1ccccc1Br ZINC000545132693 940546927 /nfs/dbraw/zinc/54/69/27/940546927.db2.gz SYSJQSUGVNFOOF-JTQLQIEISA-N 0 0 420.288 4.458 20 5 HIBDRN CC(=O)Nc1ccc(/C=C/c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 ZINC000545146191 940550730 /nfs/dbraw/zinc/55/07/30/940550730.db2.gz XUMJLAIAKWOAMD-RUDMXATFSA-N 0 0 403.398 4.179 20 5 HIBDRN O=[N+]([O-])c1cccc2c1CCN(c1ncnc3cc(F)c(Br)cc31)C2 ZINC000545166681 940553382 /nfs/dbraw/zinc/55/33/82/940553382.db2.gz MWGZCNKFDOYTJU-UHFFFAOYSA-N 0 0 403.211 4.002 20 5 HIBDRN COc1ccc(OC2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000545227407 940557301 /nfs/dbraw/zinc/55/73/01/940557301.db2.gz XNGRKONVFTVREH-UHFFFAOYSA-N 0 0 419.865 4.010 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1 ZINC000545251392 940558745 /nfs/dbraw/zinc/55/87/45/940558745.db2.gz SSGWCPSCULFEKF-UHFFFAOYSA-N 0 0 413.409 4.089 20 5 HIBDRN COc1ccc(-c2ccc(CNc3cccc4c3CCN4C(C)=O)o2)c([N+](=O)[O-])c1 ZINC000545268204 940559495 /nfs/dbraw/zinc/55/94/95/940559495.db2.gz FBAHBZXHRNAGPB-UHFFFAOYSA-N 0 0 407.426 4.385 20 5 HIBDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000545372793 940566523 /nfs/dbraw/zinc/56/65/23/940566523.db2.gz OZFHPMLUADPHQQ-OLZOCXBDSA-N 0 0 420.849 4.006 20 5 HIBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000545401649 940568476 /nfs/dbraw/zinc/56/84/76/940568476.db2.gz LVJWKKMKOKOJML-UHFFFAOYSA-N 0 0 411.277 4.102 20 5 HIBDRN COc1ccccc1C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000545428632 940569358 /nfs/dbraw/zinc/56/93/58/940569358.db2.gz OAIMUKMRVDCBNM-UHFFFAOYSA-N 0 0 419.275 4.218 20 5 HIBDRN O=C(CCc1ccccc1)N1CCC(Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000545483490 940571657 /nfs/dbraw/zinc/57/16/57/940571657.db2.gz ZRFGEMDHRQGCMH-UHFFFAOYSA-N 0 0 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ZINC000545673839 940579984 /nfs/dbraw/zinc/57/99/84/940579984.db2.gz HZWBDLJXIHLFLK-VURMDHGXSA-N 0 0 405.208 4.158 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)c1 ZINC000545683477 940580536 /nfs/dbraw/zinc/58/05/36/940580536.db2.gz KYVNOOXBNJWTBO-UHFFFAOYSA-N 0 0 409.789 4.471 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(Cn2c3ccccc3nc2C(F)(F)F)n1 ZINC000545695131 940581233 /nfs/dbraw/zinc/58/12/33/940581233.db2.gz JWASSOQMOMFTTP-UHFFFAOYSA-N 0 0 403.320 4.370 20 5 HIBDRN CC(C)NC(=O)Nc1cccc(-c2noc([C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC000545706199 940581717 /nfs/dbraw/zinc/58/17/17/940581717.db2.gz XKNXCGWBGCZUEI-LBPRGKRZSA-N 0 0 413.409 4.466 20 5 HIBDRN CS[C@@H]1C(=O)Nc2ccc(-c3noc(-c4c[nH]c5cc([N+](=O)[O-])ccc54)n3)cc21 ZINC000545711197 940581870 /nfs/dbraw/zinc/58/18/70/940581870.db2.gz XDACTWHUBDWBML-INIZCTEOSA-N 0 0 407.411 4.149 20 5 HIBDRN O=C1C[C@H](c2noc(/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])s3)n2)CN1C1CC1 ZINC000545714460 940582007 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20 5 HIBDRN CC(=O)c1cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000550386152 941320476 /nfs/dbraw/zinc/32/04/76/941320476.db2.gz COMMHDJZFFVPGA-GOSISDBHSA-N 0 0 405.248 4.138 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)c2)n[nH]1 ZINC000550549762 941337532 /nfs/dbraw/zinc/33/75/32/941337532.db2.gz WPCOMXMOLRRSMU-UHFFFAOYSA-N 0 0 416.235 4.012 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCN(c2ccccc2)CC1 ZINC000550559630 941338925 /nfs/dbraw/zinc/33/89/25/941338925.db2.gz KTWHIQYRPUGHTB-UHFFFAOYSA-N 0 0 418.291 4.018 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000550570823 941340441 /nfs/dbraw/zinc/34/04/41/941340441.db2.gz HNIISKSTISFIIO-UHFFFAOYSA-N 0 0 418.247 4.267 20 5 HIBDRN CC(C)(C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000550628517 941347442 /nfs/dbraw/zinc/34/74/42/941347442.db2.gz ZCLCQNXWFSSXIQ-UHFFFAOYSA-N 0 0 401.426 4.449 20 5 HIBDRN COc1cccc(OC)c1Oc1ccc(CNC(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000550648389 941349856 /nfs/dbraw/zinc/34/98/56/941349856.db2.gz LSSGGFNSVRHHMX-UHFFFAOYSA-N 0 0 423.425 4.038 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OC ZINC000550676466 941352875 /nfs/dbraw/zinc/35/28/75/941352875.db2.gz ZKNOKYMZVVBJTA-LLVKDONJSA-N 0 0 423.263 4.174 20 5 HIBDRN CC(C)(C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1ccccc1[N+](=O)[O-] ZINC000550847505 941374071 /nfs/dbraw/zinc/37/40/71/941374071.db2.gz UQTGXZZPWAIOGE-UHFFFAOYSA-N 0 0 419.437 4.344 20 5 HIBDRN CC[C@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccc(Cl)c1 ZINC000550972281 941388795 /nfs/dbraw/zinc/38/87/95/941388795.db2.gz JFQNDCTZINYDGH-IBGZPJMESA-N 0 0 415.877 4.007 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000550994719 941391881 /nfs/dbraw/zinc/39/18/81/941391881.db2.gz WBEJHVLLMCERBD-HNNXBMFYSA-N 0 0 401.438 4.241 20 5 HIBDRN O=[N+]([O-])c1cc(F)cc(-c2nc(Cc3c(F)ccc(Br)c3F)no2)c1 ZINC000551073890 941404716 /nfs/dbraw/zinc/40/47/16/941404716.db2.gz XEISVYVYRLTIQB-UHFFFAOYSA-N 0 0 414.137 4.415 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000551150502 941419145 /nfs/dbraw/zinc/41/91/45/941419145.db2.gz XTCZTFWELZQLLP-UHFFFAOYSA-N 0 0 409.364 4.111 20 5 HIBDRN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000551305299 941447677 /nfs/dbraw/zinc/44/76/77/941447677.db2.gz GSIUSWFALMTUCH-KBPBESRZSA-N 0 0 402.472 4.064 20 5 HIBDRN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000551305304 941447712 /nfs/dbraw/zinc/44/77/12/941447712.db2.gz GSIUSWFALMTUCH-ZIAGYGMSSA-N 0 0 402.472 4.064 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000551317095 941450138 /nfs/dbraw/zinc/45/01/38/941450138.db2.gz SAVIPTSWVAVSIU-RDTXWAMCSA-N 0 0 419.275 4.316 20 5 HIBDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000551322988 941452482 /nfs/dbraw/zinc/45/24/82/941452482.db2.gz QLGNRFFCZJWURL-UHFFFAOYSA-N 0 0 413.299 4.361 20 5 HIBDRN CNc1ccc(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)cc1[N+](=O)[O-] ZINC000551335412 941454936 /nfs/dbraw/zinc/45/49/36/941454936.db2.gz FDFZVYQAKTYLDC-UHFFFAOYSA-N 0 0 408.430 4.066 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551340165 941456253 /nfs/dbraw/zinc/45/62/53/941456253.db2.gz AFPYSGKRFKHWMI-QGZVFWFLSA-N 0 0 417.456 4.181 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)CCC(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000551367770 941463293 /nfs/dbraw/zinc/46/32/93/941463293.db2.gz BKZFKYABPCSSNR-UHFFFAOYSA-N 0 0 415.515 4.257 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000551369901 941463932 /nfs/dbraw/zinc/46/39/32/941463932.db2.gz CRVHXFPIEJXJEM-QGZVFWFLSA-N 0 0 418.515 4.049 20 5 HIBDRN Cc1ccccc1Cc1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000551397789 941469473 /nfs/dbraw/zinc/46/94/73/941469473.db2.gz PKEOFRYFQALGLQ-IBGZPJMESA-N 0 0 406.442 4.163 20 5 HIBDRN COc1c(-c2nc(-c3cccc(OCc4ccccc4)n3)no2)cccc1[N+](=O)[O-] ZINC000551470232 941486282 /nfs/dbraw/zinc/48/62/82/941486282.db2.gz MOLRQEPEOVPXHO-UHFFFAOYSA-N 0 0 404.382 4.294 20 5 HIBDRN COCC[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000551568841 941503331 /nfs/dbraw/zinc/50/33/31/941503331.db2.gz UQXBLBCQHLBXMY-MRXNPFEDSA-N 0 0 412.273 4.479 20 5 HIBDRN COCC[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000551569721 941503983 /nfs/dbraw/zinc/50/39/83/941503983.db2.gz MJFFQGMMLOCSIO-KRWDZBQOSA-N 0 0 412.273 4.479 20 5 HIBDRN O=C(CCC(=O)c1ccc(Cl)cn1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551668597 941522553 /nfs/dbraw/zinc/52/25/53/941522553.db2.gz SGQAJXCOZLQFQH-UHFFFAOYSA-N 0 0 412.627 4.007 20 5 HIBDRN Cc1cnn(-c2ccc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)cc2)c1 ZINC000551669491 941522902 /nfs/dbraw/zinc/52/29/02/941522902.db2.gz FCRJNLZOZUXSTR-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(F)cc1C ZINC000551677335 941524857 /nfs/dbraw/zinc/52/48/57/941524857.db2.gz MGIFEDAZKFSMGA-UHFFFAOYSA-N 0 0 414.311 4.490 20 5 HIBDRN Cc1ccc(Br)c(C)c1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000551775648 941543106 /nfs/dbraw/zinc/54/31/06/941543106.db2.gz KDTMVQJSVDJXGN-UHFFFAOYSA-N 0 0 400.232 4.775 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCc4[nH]c5ccc(F)cc5c4C3)o2)c1 ZINC000552203125 941601891 /nfs/dbraw/zinc/60/18/91/941601891.db2.gz ADUCPYZBWSCVAD-UHFFFAOYSA-N 0 0 406.417 4.471 20 5 HIBDRN Cn1ccnc1[C@H](NCc1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000552224004 941607859 /nfs/dbraw/zinc/60/78/59/941607859.db2.gz BFMHDOXOJWCOIF-OAHLLOKOSA-N 0 0 407.293 4.032 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC000552233273 941609688 /nfs/dbraw/zinc/60/96/88/941609688.db2.gz VCXUACLUYCWGBM-YHJVDBJQSA-N 0 0 416.428 4.280 20 5 HIBDRN COCCC[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000552243660 941612090 /nfs/dbraw/zinc/61/20/90/941612090.db2.gz HEDGBEZLXJEIEF-GOSISDBHSA-N 0 0 404.894 4.426 20 5 HIBDRN Cn1cc([C@@H]2N(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000552307224 941628527 /nfs/dbraw/zinc/62/85/27/941628527.db2.gz ZQOWIHNPUJMYDL-FQEVSTJZSA-N 0 0 405.458 4.295 20 5 HIBDRN Cc1c(Br)cc(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000552379221 941650277 /nfs/dbraw/zinc/65/02/77/941650277.db2.gz HDAQVVNZMZOHFR-SNVBAGLBSA-N 0 0 403.236 4.033 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000552475220 941682094 /nfs/dbraw/zinc/68/20/94/941682094.db2.gz JWYVMCSSHFRYOD-ZDUSSCGKSA-N 0 0 421.906 4.194 20 5 HIBDRN CCC1(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CCOCC1 ZINC000552577488 941711318 /nfs/dbraw/zinc/71/13/18/941711318.db2.gz GHMCSPMKCQDXRV-UHFFFAOYSA-N 0 0 421.544 4.448 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000552609518 941721473 /nfs/dbraw/zinc/72/14/73/941721473.db2.gz JDPJPWCJIBFWFG-DLBZAZTESA-N 0 0 403.276 4.162 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000552613621 941724155 /nfs/dbraw/zinc/72/41/55/941724155.db2.gz PVBGYNAMWHBFDO-HXUWFJFHSA-N 0 0 418.396 4.068 20 5 HIBDRN CCn1cnnc1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000552667669 941732161 /nfs/dbraw/zinc/73/21/61/941732161.db2.gz GXXODLZUQBKIJD-UHFFFAOYSA-N 0 0 403.851 4.263 20 5 HIBDRN COc1ccc(C2(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])CCCC2)cc1OC ZINC000552716596 941744174 /nfs/dbraw/zinc/74/41/74/941744174.db2.gz YYISMWNMWLIPJB-UHFFFAOYSA-N 0 0 412.486 4.125 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000552792511 941764402 /nfs/dbraw/zinc/76/44/02/941764402.db2.gz JEBGCUUEXGWFQD-CYBMUJFWSA-N 0 0 410.396 4.480 20 5 HIBDRN O=C(NC1(Cc2ccc(Cl)cc2)CCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000552834728 941782391 /nfs/dbraw/zinc/78/23/91/941782391.db2.gz JGFJIEQYXFFROP-UHFFFAOYSA-N 0 0 411.845 4.397 20 5 HIBDRN C[C@@H](C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000552920430 941803121 /nfs/dbraw/zinc/80/31/21/941803121.db2.gz UTAQBHBPKVFLOE-MRXNPFEDSA-N 0 0 402.454 4.295 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1 ZINC000552997783 941813369 /nfs/dbraw/zinc/81/33/69/941813369.db2.gz AZJOVBZHWVTJIK-UHFFFAOYSA-N 0 0 420.487 4.147 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@@H](c2ccccc2)c2ccccc2OC)c1[N+](=O)[O-] ZINC000553056759 941825584 /nfs/dbraw/zinc/82/55/84/941825584.db2.gz WGEXJHIGATUGKT-IBGZPJMESA-N 0 0 407.426 4.295 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000553060713 941826445 /nfs/dbraw/zinc/82/64/45/941826445.db2.gz OBCRBVHIBIUSSI-UHFFFAOYSA-N 0 0 419.268 4.402 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(F)(c3cccnc3)CC2)nc1OCc1ccccc1 ZINC000553226564 941852752 /nfs/dbraw/zinc/85/27/52/941852752.db2.gz UAHMKFMVZLWKAE-UHFFFAOYSA-N 0 0 408.433 4.429 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@@H]2CSc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000553230093 941853080 /nfs/dbraw/zinc/85/30/80/941853080.db2.gz LBFXLECGBZMGAZ-GFCCVEGCSA-N 0 0 424.276 4.106 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000553259528 941857694 /nfs/dbraw/zinc/85/76/94/941857694.db2.gz UAOVBVDGWXDAMG-UHFFFAOYSA-N 0 0 420.494 4.283 20 5 HIBDRN C[C@H]1CCCN(C(=O)C2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000553275873 941859568 /nfs/dbraw/zinc/85/95/68/941859568.db2.gz WYHVTBZOICHIIJ-LBPRGKRZSA-N 0 0 400.306 4.377 20 5 HIBDRN O=C(Nc1ccccc1)[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1 ZINC000553287091 941860601 /nfs/dbraw/zinc/86/06/01/941860601.db2.gz AEBSKMNFMITKPU-QGZVFWFLSA-N 0 0 405.439 4.391 20 5 HIBDRN O=c1[nH]c(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000553296532 941862719 /nfs/dbraw/zinc/86/27/19/941862719.db2.gz GYFNBKLXJKRQLQ-UHFFFAOYSA-N 0 0 405.389 4.158 20 5 HIBDRN NC(=O)c1cccc(NCC2(c3ccc(Cl)cc3Cl)CCOCC2)c1[N+](=O)[O-] ZINC000553330834 941868581 /nfs/dbraw/zinc/86/85/81/941868581.db2.gz KWPMLZHNVAXJNE-UHFFFAOYSA-N 0 0 424.284 4.161 20 5 HIBDRN Cc1noc(C)c1C(C)(C)NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000553410272 941880867 /nfs/dbraw/zinc/88/08/67/941880867.db2.gz WKNWBEXWTYDFTA-ZIAGYGMSSA-N 0 0 414.506 4.347 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000553415658 941881113 /nfs/dbraw/zinc/88/11/13/941881113.db2.gz RYKFAAOSFRGJSH-UHFFFAOYSA-N 0 0 404.257 4.104 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2N2CCO[C@H](c3ccccc3C(F)(F)F)C2)s1 ZINC000553492593 941895523 /nfs/dbraw/zinc/89/55/23/941895523.db2.gz OATXNBXRUAKYQH-ZDUSSCGKSA-N 0 0 410.377 4.196 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000553493853 941895550 /nfs/dbraw/zinc/89/55/50/941895550.db2.gz XAGDGZJIMAIIGZ-IBGZPJMESA-N 0 0 403.866 4.215 20 5 HIBDRN Cc1oncc1CN1C[C@@H](F)C[C@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000553532307 941903947 /nfs/dbraw/zinc/90/39/47/941903947.db2.gz PWGLLKXUWWRUHC-AAEUAGOBSA-N 0 0 403.241 4.223 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000553542714 941905772 /nfs/dbraw/zinc/90/57/72/941905772.db2.gz JDQYFIGOQHJYOJ-OAHLLOKOSA-N 0 0 424.226 4.241 20 5 HIBDRN COCC[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000553556902 941908869 /nfs/dbraw/zinc/90/88/69/941908869.db2.gz RTOOOEGGGKJBIV-OAHLLOKOSA-N 0 0 423.256 4.740 20 5 HIBDRN Cc1nnc([C@H](C)NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[nH]1 ZINC000553634746 941928048 /nfs/dbraw/zinc/92/80/48/941928048.db2.gz CYFFGAVMXRQRCG-JTQLQIEISA-N 0 0 417.878 4.317 20 5 HIBDRN Cc1nnc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)[nH]1 ZINC000553639047 941929821 /nfs/dbraw/zinc/92/98/21/941929821.db2.gz QSQQOIQHWJTRCF-JTQLQIEISA-N 0 0 417.878 4.317 20 5 HIBDRN O=C(Nc1nc(C2CCOCC2)cs1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553653803 941935151 /nfs/dbraw/zinc/93/51/51/941935151.db2.gz HCWMBJMAVVMJRR-UHFFFAOYSA-N 0 0 416.484 4.321 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000553683335 941943378 /nfs/dbraw/zinc/94/33/78/941943378.db2.gz ZLKWTJYXGOLLRP-QGZVFWFLSA-N 0 0 403.866 4.346 20 5 HIBDRN COc1cc(CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C2CC2)ccc1O ZINC000553706090 941947771 /nfs/dbraw/zinc/94/77/71/941947771.db2.gz HEFBHHZXHRRHOC-UHFFFAOYSA-N 0 0 419.437 4.176 20 5 HIBDRN Cc1noc([C@H]2CCCN2c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])n1 ZINC000553706243 941948015 /nfs/dbraw/zinc/94/80/15/941948015.db2.gz MHHWLEUEJLGCJV-GOSISDBHSA-N 0 0 407.430 4.188 20 5 HIBDRN Cc1sc2ncnc(SCC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])c2c1C ZINC000553715276 941950077 /nfs/dbraw/zinc/95/00/77/941950077.db2.gz DJIIRPVJZUXQDR-UHFFFAOYSA-N 0 0 416.528 4.360 20 5 HIBDRN CC(=O)c1cccc(OCc2cc(C(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])no2)c1 ZINC000553719336 941951621 /nfs/dbraw/zinc/95/16/21/941951621.db2.gz DQISHVGKEAEBKA-UHFFFAOYSA-N 0 0 423.425 4.030 20 5 HIBDRN COc1cc(C)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)c1C ZINC000553736540 941955654 /nfs/dbraw/zinc/95/56/54/941955654.db2.gz ZVCLKLMMEKONNL-UHFFFAOYSA-N 0 0 407.264 4.472 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccccc1SCC(=O)NC(C)C ZINC000553795095 941970974 /nfs/dbraw/zinc/97/09/74/941970974.db2.gz LBVMYMDBDQEDDY-UHFFFAOYSA-N 0 0 401.488 4.081 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)c2ccc(Br)cc2)c(C(F)(F)F)c1 ZINC000553834950 941980340 /nfs/dbraw/zinc/98/03/40/941980340.db2.gz NCMVRQGJPXBPFP-UHFFFAOYSA-N 0 0 424.194 4.350 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000553943659 942004365 /nfs/dbraw/zinc/00/43/65/942004365.db2.gz JDEOLMPJXWJOFN-CQSZACIVSA-N 0 0 409.408 4.429 20 5 HIBDRN CC(C)n1cnnc1CN(C)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000553969137 942009659 /nfs/dbraw/zinc/00/96/59/942009659.db2.gz COOLTXXFSJLVCK-UHFFFAOYSA-N 0 0 411.487 4.191 20 5 HIBDRN O=C(Nc1ccnc(OCC(F)(F)F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000554005561 942018196 /nfs/dbraw/zinc/01/81/96/942018196.db2.gz YJYATIYNLAQBTN-UHFFFAOYSA-N 0 0 424.360 4.307 20 5 HIBDRN O=[N+]([O-])c1cccc(OCc2nc(-c3ccc(OCc4cccnc4)cc3)no2)c1 ZINC000554114562 942040084 /nfs/dbraw/zinc/04/00/84/942040084.db2.gz MDFKKUMVJOSJCR-UHFFFAOYSA-N 0 0 404.382 4.198 20 5 HIBDRN C[C@H](C(=O)NC1(Cc2ccccc2Br)CC1)c1cccc([N+](=O)[O-])c1 ZINC000554133266 942045664 /nfs/dbraw/zinc/04/56/64/942045664.db2.gz ZLOPIXMHTFYRCY-ZDUSSCGKSA-N 0 0 403.276 4.352 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)Cc2ccccc2O1 ZINC000554189053 942062246 /nfs/dbraw/zinc/06/22/46/942062246.db2.gz CYZZEVCCVUNESH-ZDUSSCGKSA-N 0 0 420.415 4.383 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@H]3c3nnc(C4CCC4)o3)n2)cc1 ZINC000554273635 942086123 /nfs/dbraw/zinc/08/61/23/942086123.db2.gz JQLFISHYVUACLA-INIZCTEOSA-N 0 0 410.434 4.023 20 5 HIBDRN Cc1nc([C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(Cl)cc2)no1 ZINC000554352300 942110976 /nfs/dbraw/zinc/11/09/76/942110976.db2.gz RYVZJYLFCMHRDW-MRXNPFEDSA-N 0 0 401.810 4.159 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC000554388518 942122294 /nfs/dbraw/zinc/12/22/94/942122294.db2.gz SXIWZQKQOCGPGU-IBGZPJMESA-N 0 0 400.500 4.257 20 5 HIBDRN O=C1[C@@H]2c3ccccc3CCN2C(=O)N1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000554394788 942125175 /nfs/dbraw/zinc/12/51/75/942125175.db2.gz GMXUNZWVDLJQHZ-NRFANRHFSA-N 0 0 415.405 4.453 20 5 HIBDRN C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2cccnc2)cc1 ZINC000554476184 942155419 /nfs/dbraw/zinc/15/54/19/942155419.db2.gz ULQVUTYNZOSJJE-MRXNPFEDSA-N 0 0 421.457 4.254 20 5 HIBDRN O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000554615275 942175917 /nfs/dbraw/zinc/17/59/17/942175917.db2.gz OZKDXFXJJMURBD-UHFFFAOYSA-N 0 0 406.398 4.029 20 5 HIBDRN CCO[C@@H](C)c1nc(CC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cs1 ZINC000554647246 942186022 /nfs/dbraw/zinc/18/60/22/942186022.db2.gz RAOLENLNKDYNIC-VIFPVBQESA-N 0 0 403.382 4.349 20 5 HIBDRN C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000554654433 942189047 /nfs/dbraw/zinc/18/90/47/942189047.db2.gz WNHXLQLVCXZYBD-SNVBAGLBSA-N 0 0 421.276 4.096 20 5 HIBDRN C[C@H](C(=O)NCCc1ccc(Br)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000554680325 942196232 /nfs/dbraw/zinc/19/62/32/942196232.db2.gz PRFFDOSSXBHELG-NSHDSACASA-N 0 0 411.683 4.473 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000554706660 942206435 /nfs/dbraw/zinc/20/64/35/942206435.db2.gz UFOHCNIOCWHXLE-BZNIZROVSA-N 0 0 400.303 4.107 20 5 HIBDRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000554735720 942216227 /nfs/dbraw/zinc/21/62/27/942216227.db2.gz YMMZHMLMCJDJPI-AWEZNQCLSA-N 0 0 420.473 4.073 20 5 HIBDRN CC(C)CC(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000554788378 942238267 /nfs/dbraw/zinc/23/82/67/942238267.db2.gz DAJAPRMZIJGXDZ-IBGZPJMESA-N 0 0 406.442 4.317 20 5 HIBDRN COc1ccc(COCc2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC000554801681 942246775 /nfs/dbraw/zinc/24/67/75/942246775.db2.gz PQIMECDBRYJDNL-UHFFFAOYSA-N 0 0 401.394 4.168 20 5 HIBDRN COc1ccc(-c2nc(CN(C)CCc3cccc([N+](=O)[O-])c3)cs2)cc1OC ZINC000554847331 942285475 /nfs/dbraw/zinc/28/54/75/942285475.db2.gz APGIEEARVHKXSC-UHFFFAOYSA-N 0 0 413.499 4.410 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(C3(c4ccccc4Br)CC3)no2)cc1 ZINC000554850691 942288825 /nfs/dbraw/zinc/28/88/25/942288825.db2.gz HRQSKCROWFLPCL-UHFFFAOYSA-N 0 0 416.231 4.399 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@](F)(c4cccc(Cl)c4)C3)n2)c1 ZINC000554855992 942293478 /nfs/dbraw/zinc/29/34/78/942293478.db2.gz XOTIPQFIKGGUAD-IBGZPJMESA-N 0 0 402.813 4.369 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000554901333 942312132 /nfs/dbraw/zinc/31/21/32/942312132.db2.gz GSPWCRLJMNCLKR-UHFFFAOYSA-N 0 0 414.206 4.342 20 5 HIBDRN Cc1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(Br)c1 ZINC000554959887 942334335 /nfs/dbraw/zinc/33/43/35/942334335.db2.gz JQOUOJROAANGEZ-UHFFFAOYSA-N 0 0 406.236 4.092 20 5 HIBDRN CCc1nc2cc(CNC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)ccc2n1C1CC1 ZINC000554983892 942342364 /nfs/dbraw/zinc/34/23/64/942342364.db2.gz PBFTYEJFUISSKT-UHFFFAOYSA-N 0 0 408.458 4.089 20 5 HIBDRN Cn1nc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1C1CC1 ZINC000554982456 942342451 /nfs/dbraw/zinc/34/24/51/942342451.db2.gz MXKUZNKKBHFWHC-UHFFFAOYSA-N 0 0 417.263 4.840 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(OCc2ccccc2OC)CC1 ZINC000555011425 942355216 /nfs/dbraw/zinc/35/52/16/942355216.db2.gz ZLWNLROEDHZCGR-UHFFFAOYSA-N 0 0 413.474 4.379 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2nc(-c3ccccc3F)cs2)c1 ZINC000555091263 942383164 /nfs/dbraw/zinc/38/31/64/942383164.db2.gz BTMDTHRTUXHBGV-UHFFFAOYSA-N 0 0 401.419 4.186 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCC2(CCCC2)C1 ZINC000555311895 942472314 /nfs/dbraw/zinc/47/23/14/942472314.db2.gz LFNPVIHKJNRNHG-UHFFFAOYSA-N 0 0 413.522 4.441 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC000555330857 942479562 /nfs/dbraw/zinc/47/95/62/942479562.db2.gz FYPFXIFFHFOGBN-KRWDZBQOSA-N 0 0 413.522 4.296 20 5 HIBDRN COc1cc(OC)cc([C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c2nccn2C)c1 ZINC000555392377 942511286 /nfs/dbraw/zinc/51/12/86/942511286.db2.gz WBMQLEIQRMFFDT-YCRPNKLZSA-N 0 0 410.474 4.094 20 5 HIBDRN CC(C)(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)CC1 ZINC000555475388 942577586 /nfs/dbraw/zinc/57/75/86/942577586.db2.gz NOPVICHHEDISAU-MRXNPFEDSA-N 0 0 413.522 4.152 20 5 HIBDRN O=[N+]([O-])c1cccc(Br)c1OC[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000555566498 942646983 /nfs/dbraw/zinc/64/69/83/942646983.db2.gz PDHIKRQGMGQMTN-RDTXWAMCSA-N 0 0 422.275 4.191 20 5 HIBDRN Cc1nccnc1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000555621424 942673887 /nfs/dbraw/zinc/67/38/87/942673887.db2.gz WIFUQCZBSZHALT-UHFFFAOYSA-N 0 0 417.263 4.048 20 5 HIBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ncc(Br)s1 ZINC000555763449 942723903 /nfs/dbraw/zinc/72/39/03/942723903.db2.gz SIKIJCVZDVCCMO-UHFFFAOYSA-N 0 0 408.071 4.464 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)[C@@H]2OCCc3sccc32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555773307 942726178 /nfs/dbraw/zinc/72/61/78/942726178.db2.gz QYMIJZINNLYNET-YJYMSZOUSA-N 0 0 412.471 4.039 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000555817076 942743236 /nfs/dbraw/zinc/74/32/36/942743236.db2.gz GBCMLQMRLWRNNN-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000555854381 942755244 /nfs/dbraw/zinc/75/52/44/942755244.db2.gz XEKLWGDIRUHARV-CJNGLKHVSA-N 0 0 409.280 4.030 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000555854100 942755342 /nfs/dbraw/zinc/75/53/42/942755342.db2.gz XYSFSUIFPRGWIH-HNNXBMFYSA-N 0 0 411.296 4.230 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1csc(C(C)C)n1 ZINC000555869440 942759275 /nfs/dbraw/zinc/75/92/75/942759275.db2.gz QPLLIUOPFJODJN-UHFFFAOYSA-N 0 0 412.309 4.218 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C)c(C(F)(F)F)s2)cc1OC ZINC000555929256 942773976 /nfs/dbraw/zinc/77/39/76/942773976.db2.gz KDLIOYZMTBENFH-UHFFFAOYSA-N 0 0 405.354 4.038 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1c(F)cc(Br)cc1F ZINC000556212651 942819777 /nfs/dbraw/zinc/81/97/77/942819777.db2.gz CNHYXZSPTXTAGN-UHFFFAOYSA-N 0 0 410.174 4.298 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3ccc(OC(F)F)cn3)no2)c1 ZINC000556321163 942840797 /nfs/dbraw/zinc/84/07/97/942840797.db2.gz VHOPHVVJSXVKMS-UHFFFAOYSA-N 0 0 402.235 4.327 20 5 HIBDRN CS(=O)(=O)c1ccc(CSc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000556338679 942845446 /nfs/dbraw/zinc/84/54/46/942845446.db2.gz HGTHYKOVKUEKQJ-UHFFFAOYSA-N 0 0 402.291 4.053 20 5 HIBDRN C[C@@H](NC(=O)N1CCc2ccc(Br)cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000556401764 942857668 /nfs/dbraw/zinc/85/76/68/942857668.db2.gz WICLWPKUKBJKEY-GFCCVEGCSA-N 0 0 404.264 4.186 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556471462 942878034 /nfs/dbraw/zinc/87/80/34/942878034.db2.gz FCIANVVSLMDJHL-UHFFFAOYSA-N 0 0 421.469 4.338 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000556488344 942883037 /nfs/dbraw/zinc/88/30/37/942883037.db2.gz GAOLBMDCBGKWIR-ROUUACIJSA-N 0 0 404.898 4.376 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccccc32)cc1[N+](=O)[O-] ZINC000556505514 942887445 /nfs/dbraw/zinc/88/74/45/942887445.db2.gz KIURXHCOXCDWEU-MRXNPFEDSA-N 0 0 413.499 4.184 20 5 HIBDRN Cc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(C)s1 ZINC000556509681 942887910 /nfs/dbraw/zinc/88/79/10/942887910.db2.gz NMMZEUHWSVJBAB-LBPRGKRZSA-N 0 0 403.504 4.387 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc4c3OCCO4)cc2[N+](=O)[O-])C1 ZINC000556523907 942891253 /nfs/dbraw/zinc/89/12/53/942891253.db2.gz IOUNJVRCZDAPCS-HUUCEWRRSA-N 0 0 411.458 4.101 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1OC ZINC000556639279 942924254 /nfs/dbraw/zinc/92/42/54/942924254.db2.gz KUTRJKVXVSSURO-CYBMUJFWSA-N 0 0 401.463 4.229 20 5 HIBDRN O=[N+]([O-])c1cc2c(c(-c3nc(-c4ccc(Oc5ccccc5)nc4)no3)c1)OCCO2 ZINC000556772079 942930676 /nfs/dbraw/zinc/93/06/76/942930676.db2.gz VDPJATHXWDDYRC-UHFFFAOYSA-N 0 0 418.365 4.270 20 5 HIBDRN Cn1ccnc1[C@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000556883087 942950130 /nfs/dbraw/zinc/95/01/30/942950130.db2.gz BBBNXKZWJQFMMM-OAQYLSRUSA-N 0 0 405.458 4.047 20 5 HIBDRN Cn1ccnc1[C@H](N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556891102 942954195 /nfs/dbraw/zinc/95/41/95/942954195.db2.gz AKDIWXFUVADWLQ-SESVDKBCSA-N 0 0 410.449 4.067 20 5 HIBDRN Cn1ccnc1[C@H](Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000556892174 942954456 /nfs/dbraw/zinc/95/44/56/942954456.db2.gz IOQNJODOPMHAMW-HXUWFJFHSA-N 0 0 422.876 4.428 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC[C@H]3C3CC3)o2)c(Br)c1 ZINC000556895061 942955307 /nfs/dbraw/zinc/95/53/07/942955307.db2.gz IHCFBBZPZLTVBR-KRWDZBQOSA-N 0 0 407.264 4.228 20 5 HIBDRN Cn1ccnc1[C@H](NCC(F)(F)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000556921344 942966576 /nfs/dbraw/zinc/96/65/76/942966576.db2.gz 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O=c1[nH]c(N2CCC[C@H](COc3ccccc3Cl)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000557639345 943244503 /nfs/dbraw/zinc/24/45/03/943244503.db2.gz GEKLVDGQZSMNTN-ZDUSSCGKSA-N 0 0 414.849 4.192 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000557962639 943341026 /nfs/dbraw/zinc/34/10/26/943341026.db2.gz SQZUDKXLJUTLFT-HXUWFJFHSA-N 0 0 403.429 4.409 20 5 HIBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000558023795 943358790 /nfs/dbraw/zinc/35/87/90/943358790.db2.gz XLXBDVAFVMHTKJ-FQEVSTJZSA-N 0 0 417.465 4.349 20 5 HIBDRN CCN(C)C(=O)c1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000558048848 943366595 /nfs/dbraw/zinc/36/65/95/943366595.db2.gz NIHJZZPFTBWXJW-UHFFFAOYSA-N 0 0 410.455 4.063 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000558262681 943465771 /nfs/dbraw/zinc/46/57/71/943465771.db2.gz DVUFHXRGWRFLRR-GFCCVEGCSA-N 0 0 424.335 4.196 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000558264210 943467273 /nfs/dbraw/zinc/46/72/73/943467273.db2.gz QQBOEHWGOVOEIJ-GOSISDBHSA-N 0 0 409.446 4.023 20 5 HIBDRN COc1cc(OC)c(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1OC ZINC000558275138 943475598 /nfs/dbraw/zinc/47/55/98/943475598.db2.gz LNPZBNGALDMTHX-UHFFFAOYSA-N 0 0 417.393 4.136 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 ZINC000558382320 943537119 /nfs/dbraw/zinc/53/71/19/943537119.db2.gz PVWLORGUMWHLLG-UHFFFAOYSA-N 0 0 413.474 4.185 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](c3ccncc3)C2)cc1 ZINC000558421480 943555035 /nfs/dbraw/zinc/55/50/35/943555035.db2.gz FJUCOPKRBMGNEV-KRWDZBQOSA-N 0 0 419.437 4.420 20 5 HIBDRN C[C@@H](N[C@@H]1c2ccccc2CC12CCOCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000558489380 943573657 /nfs/dbraw/zinc/57/36/57/943573657.db2.gz ZDXUHRKOJNAAOC-FOIQADDNSA-N 0 0 420.469 4.390 20 5 HIBDRN C[C@@H](N[C@H]1c2ccccc2CC12CCOCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000558489383 943573837 /nfs/dbraw/zinc/57/38/37/943573837.db2.gz ZDXUHRKOJNAAOC-QRWLVFNGSA-N 0 0 420.469 4.390 20 5 HIBDRN NC(=O)c1ccnc(N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000558599543 943613500 /nfs/dbraw/zinc/61/35/00/943613500.db2.gz OKMSROJTCMTIDZ-INIZCTEOSA-N 0 0 400.797 4.083 20 5 HIBDRN Cc1cc(NCc2ccc(C(=O)N3CCOCC3)cc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000558639189 943623212 /nfs/dbraw/zinc/62/32/12/943623212.db2.gz FFXVVVMNDGVTMD-UHFFFAOYSA-N 0 0 423.391 4.007 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000558700591 943630463 /nfs/dbraw/zinc/63/04/63/943630463.db2.gz MSBPJUPOXCAEHJ-GOSISDBHSA-N 0 0 411.355 4.394 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)c1 ZINC000558761498 943649653 /nfs/dbraw/zinc/64/96/53/943649653.db2.gz DLWVKNZZJDVZIJ-UHFFFAOYSA-N 0 0 414.336 4.196 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000558807744 943671384 /nfs/dbraw/zinc/67/13/84/943671384.db2.gz KGYZMTATANWPNK-UHFFFAOYSA-N 0 0 408.376 4.474 20 5 HIBDRN CN(Cc1ccccc1N1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000558890967 943723550 /nfs/dbraw/zinc/72/35/50/943723550.db2.gz KSXCTGHOYMQKOB-UHFFFAOYSA-N 0 0 407.392 4.486 20 5 HIBDRN Cc1cc(NCc2ccccc2CS(C)(=O)=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000558920855 943747379 /nfs/dbraw/zinc/74/73/79/943747379.db2.gz CEDJGNDNEPJHCM-UHFFFAOYSA-N 0 0 402.394 4.079 20 5 HIBDRN Cc1cccc(-c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2Cc2ccccc2)n1 ZINC000558929723 943752239 /nfs/dbraw/zinc/75/22/39/943752239.db2.gz HQAWHHSYBAGMAI-UHFFFAOYSA-N 0 0 414.469 4.241 20 5 HIBDRN COc1cc2nc(C)sc2cc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000559041272 943812608 /nfs/dbraw/zinc/81/26/08/943812608.db2.gz QAIDJYYROWMKJF-UHFFFAOYSA-N 0 0 423.454 4.174 20 5 HIBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000559095719 943836460 /nfs/dbraw/zinc/83/64/60/943836460.db2.gz HWYFUVILZDCCOB-UWJYYQICSA-N 0 0 421.501 4.476 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000559109263 943843090 /nfs/dbraw/zinc/84/30/90/943843090.db2.gz GPWHGVSPBYWUQK-JTQLQIEISA-N 0 0 419.261 4.219 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC4(C3)CCCCC4)n2C[C@H]2CCOC2)cc1 ZINC000559200063 943870350 /nfs/dbraw/zinc/87/03/50/943870350.db2.gz KBVFRNLCASJTRR-QGZVFWFLSA-N 0 0 411.506 4.050 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3C[C@@H]4CCCC[C@H]4C3)n2C[C@@H]2CCCCO2)c1 ZINC000559206196 943871757 /nfs/dbraw/zinc/87/17/57/943871757.db2.gz OBVZVOVOLDQGQO-BJLQDIEVSA-N 0 0 411.506 4.049 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3C[C@@H]4CCCC[C@H]4C3)n2C[C@H]2CCCCO2)c1 ZINC000559206197 943871910 /nfs/dbraw/zinc/87/19/10/943871910.db2.gz OBVZVOVOLDQGQO-CMKODMSKSA-N 0 0 411.506 4.049 20 5 HIBDRN CC(C)(C)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)C1 ZINC000559210481 943873472 /nfs/dbraw/zinc/87/34/72/943873472.db2.gz HXMFFAKCDANNJL-AEFFLSMTSA-N 0 0 413.522 4.152 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N(CCc1ccccc1)Cc1cccnc1 ZINC000559272701 943888952 /nfs/dbraw/zinc/88/89/52/943888952.db2.gz SPEPWLCTENUCOM-UHFFFAOYSA-N 0 0 414.465 4.216 20 5 HIBDRN CC(=O)c1cccc(OC[C@H](O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 ZINC000559283691 943890214 /nfs/dbraw/zinc/89/02/14/943890214.db2.gz UPBUAXHJWHFYKO-KRWDZBQOSA-N 0 0 413.451 4.345 20 5 HIBDRN C[C@@H](C(=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000559357033 943907783 /nfs/dbraw/zinc/90/77/83/943907783.db2.gz YMVOKHMSQVJSHB-IIBYNOLFSA-N 0 0 403.438 4.195 20 5 HIBDRN C[C@H](C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000559358981 943908649 /nfs/dbraw/zinc/90/86/49/943908649.db2.gz XJZWBJQRXKTXPZ-ZDUSSCGKSA-N 0 0 408.389 4.123 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000559492657 943981292 /nfs/dbraw/zinc/98/12/92/943981292.db2.gz 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ZINC000560586666 944264910 /nfs/dbraw/zinc/26/49/10/944264910.db2.gz BZWHYMLJKZFHPO-UHFFFAOYSA-N 0 0 418.318 4.479 20 5 HIBDRN CC(C)(C(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000560627688 944279640 /nfs/dbraw/zinc/27/96/40/944279640.db2.gz KNIIUZWDHQIZMD-UHFFFAOYSA-N 0 0 402.319 4.486 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2oc(SCc3ccccc3)nc2c1 ZINC000560680430 944293001 /nfs/dbraw/zinc/29/30/01/944293001.db2.gz GRFVSFSDPWMXBL-UHFFFAOYSA-N 0 0 423.454 4.172 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000560731376 944312752 /nfs/dbraw/zinc/31/27/52/944312752.db2.gz ZQYSOJGBJZSPNA-NSHDSACASA-N 0 0 418.833 4.398 20 5 HIBDRN COCCCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC ZINC000560737056 944315410 /nfs/dbraw/zinc/31/54/10/944315410.db2.gz LNVQNXDMEZFBGO-UHFFFAOYSA-N 0 0 400.387 4.017 20 5 HIBDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000560858968 944360011 /nfs/dbraw/zinc/36/00/11/944360011.db2.gz QIVCNQJILCGWSF-UHFFFAOYSA-N 0 0 406.360 4.310 20 5 HIBDRN O=C(NCc1ccc(C2CC2)cc1F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000560966020 944377527 /nfs/dbraw/zinc/37/75/27/944377527.db2.gz MKUZZXCWIBUEPD-UHFFFAOYSA-N 0 0 412.339 4.482 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000561128632 944469251 /nfs/dbraw/zinc/46/92/51/944469251.db2.gz CHETVMRLYTUZGO-UHFFFAOYSA-N 0 0 403.442 4.417 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000561138941 944476524 /nfs/dbraw/zinc/47/65/24/944476524.db2.gz RYBIVHSLIVGELO-VSKRKVRLSA-N 0 0 402.454 4.189 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000561193581 944508056 /nfs/dbraw/zinc/50/80/56/944508056.db2.gz LFQTZSZRMMJOQF-QYZOEREBSA-N 0 0 408.479 4.454 20 5 HIBDRN CC(C)c1nc(CN(C)[C@H]2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)no1 ZINC000561233498 944522997 /nfs/dbraw/zinc/52/29/97/944522997.db2.gz PHATUWDYSLETCE-LBPRGKRZSA-N 0 0 414.293 4.119 20 5 HIBDRN O=c1[nH]c(N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)nc2ccc([N+](=O)[O-])cc12 ZINC000561235383 944523092 /nfs/dbraw/zinc/52/30/92/944523092.db2.gz JDYSAPOFHZJQAP-INIZCTEOSA-N 0 0 410.821 4.115 20 5 HIBDRN O=c1[nH]c(N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)nc2ccc([N+](=O)[O-])cc12 ZINC000561235384 944523163 /nfs/dbraw/zinc/52/31/63/944523163.db2.gz JDYSAPOFHZJQAP-MRXNPFEDSA-N 0 0 410.821 4.115 20 5 HIBDRN CC(=O)c1cc(NCc2cn3cc(Br)cc(C)c3n2)ccc1[N+](=O)[O-] ZINC000561268147 944534556 /nfs/dbraw/zinc/53/45/56/944534556.db2.gz DEIXCNFTTLILAA-UHFFFAOYSA-N 0 0 403.236 4.128 20 5 HIBDRN CC(=O)c1cc(N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000561307390 944545667 /nfs/dbraw/zinc/54/56/67/944545667.db2.gz KXXHKDBMDXCDLZ-GOSISDBHSA-N 0 0 423.238 4.277 20 5 HIBDRN O=C(Nc1cc(Cl)cc2c1OCC(=O)N2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000561343756 944558209 /nfs/dbraw/zinc/55/82/09/944558209.db2.gz FIDPIQNYTKFZCO-UHFFFAOYSA-N 0 0 403.803 4.046 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c(C)cc1Br ZINC000561385074 944571985 /nfs/dbraw/zinc/57/19/85/944571985.db2.gz IYYOLEHHIQINJD-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccc2n[nH]cc2c1 ZINC000561399050 944579561 /nfs/dbraw/zinc/57/95/61/944579561.db2.gz LGUFVNOKJYRJGH-NSHDSACASA-N 0 0 418.403 4.327 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1OCC ZINC000561441553 944599862 /nfs/dbraw/zinc/59/98/62/944599862.db2.gz QHHRTJBYYYSYSU-INIZCTEOSA-N 0 0 415.490 4.337 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000561450141 944608237 /nfs/dbraw/zinc/60/82/37/944608237.db2.gz XXTFLAMSZCTSTR-NSHDSACASA-N 0 0 417.878 4.270 20 5 HIBDRN Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C2)cc1 ZINC000561489023 944630842 /nfs/dbraw/zinc/63/08/42/944630842.db2.gz AQZKNZODDXSDFZ-IBGZPJMESA-N 0 0 404.470 4.184 20 5 HIBDRN CCCC[C@@H](C)N(CCCC)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000561603479 944700463 /nfs/dbraw/zinc/70/04/63/944700463.db2.gz NIPQHIDEWKUODF-OAHLLOKOSA-N 0 0 403.479 4.069 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000561658061 944732781 /nfs/dbraw/zinc/73/27/81/944732781.db2.gz AJDWIFAAZIDYDI-GFCCVEGCSA-N 0 0 424.284 4.159 20 5 HIBDRN CCCCCn1nc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c2ccccc2c1=O ZINC000561696436 944751497 /nfs/dbraw/zinc/75/14/97/944751497.db2.gz JOQADWAIFHVIMT-UHFFFAOYSA-N 0 0 422.485 4.160 20 5 HIBDRN COc1ccccc1O[C@H]1CCCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000561699064 944752610 /nfs/dbraw/zinc/75/26/10/944752610.db2.gz QKRTUIKMFGEEKH-INIZCTEOSA-N 0 0 419.865 4.010 20 5 HIBDRN C[C@@H](Oc1ccc(Br)cc1)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000561705665 944755188 /nfs/dbraw/zinc/75/51/88/944755188.db2.gz OCBNGYLOAAQLPM-GFCCVEGCSA-N 0 0 407.264 4.176 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(CC(=O)Nc2ccc(F)cc2)no1 ZINC000561743914 944774008 /nfs/dbraw/zinc/77/40/08/944774008.db2.gz CQZDTYOFOWMFPW-SNVBAGLBSA-N 0 0 420.784 4.092 20 5 HIBDRN O=C(CN(Cc1cc(Br)ccc1F)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000561782137 944795471 /nfs/dbraw/zinc/79/54/71/944795471.db2.gz RHBRWSJTQHLKCK-UHFFFAOYSA-N 0 0 422.254 4.100 20 5 HIBDRN COc1cc(CN[C@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])cc1F ZINC000561796830 944800142 /nfs/dbraw/zinc/80/01/42/944800142.db2.gz FPWXMWCDKMWXAS-SECBINFHSA-N 0 0 401.207 4.495 20 5 HIBDRN CSc1cccc(C(=O)N2CCN(C)c3cc(Br)ccc32)c1[N+](=O)[O-] ZINC000561822412 944812545 /nfs/dbraw/zinc/81/25/45/944812545.db2.gz KICPNYMCHZPJDA-UHFFFAOYSA-N 0 0 422.304 4.176 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000561859908 944824270 /nfs/dbraw/zinc/82/42/70/944824270.db2.gz JTRZHQXEGMJJBS-HNNXBMFYSA-N 0 0 402.476 4.091 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000561874605 944831111 /nfs/dbraw/zinc/83/11/11/944831111.db2.gz TUEODYASGRAAOC-VXGBXAGGSA-N 0 0 400.422 4.492 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000561874603 944831360 /nfs/dbraw/zinc/83/13/60/944831360.db2.gz TUEODYASGRAAOC-NWDGAFQWSA-N 0 0 400.422 4.492 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2c2nc(C3Cc4ccccc4C3)no2)ccc1[N+](=O)[O-] ZINC000561888713 944839437 /nfs/dbraw/zinc/83/94/37/944839437.db2.gz KYIDLJNYCMIJGY-FQEVSTJZSA-N 0 0 418.453 4.146 20 5 HIBDRN CC(C)(c1nc(CC(=O)Nc2ccc(Cl)cc2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000561921139 944857796 /nfs/dbraw/zinc/85/77/96/944857796.db2.gz GLKCMRGAVSNTOD-UHFFFAOYSA-N 0 0 418.812 4.277 20 5 HIBDRN O=C(Nc1ccc(Oc2cccnc2)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000562092758 944935241 /nfs/dbraw/zinc/93/52/41/944935241.db2.gz WWOHCIPOACQCTA-UHFFFAOYSA-N 0 0 406.398 4.209 20 5 HIBDRN CCOCCOc1c(Cl)cccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000562136414 944964327 /nfs/dbraw/zinc/96/43/27/944964327.db2.gz DWVRMJYEXDFGPL-UHFFFAOYSA-N 0 0 421.881 4.370 20 5 HIBDRN O=C(NC1(c2cccc(Br)c2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562137253 944966078 /nfs/dbraw/zinc/96/60/78/944966078.db2.gz UVADPYUFVXXBIS-UHFFFAOYSA-N 0 0 400.232 4.258 20 5 HIBDRN Cc1cccc(C2(NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCCC2)c1 ZINC000562141247 944970684 /nfs/dbraw/zinc/97/06/84/944970684.db2.gz XPRFMGVEXCHJPX-UHFFFAOYSA-N 0 0 401.850 4.081 20 5 HIBDRN CC[C@@]1(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)OCCc2ccccc21 ZINC000562176766 945003779 /nfs/dbraw/zinc/00/37/79/945003779.db2.gz HCSZVIMEOVPFLB-BTYIYWSLSA-N 0 0 400.500 4.070 20 5 HIBDRN Cn1ncc([N+](=O)[O-])c1-c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 ZINC000562193418 945013135 /nfs/dbraw/zinc/01/31/35/945013135.db2.gz KJKUGCFFKAXENN-UHFFFAOYSA-N 0 0 407.230 4.083 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCO[C@@H]3c3cnn(Cc4ccccc4)c3)n2)cc1 ZINC000564075238 945373390 /nfs/dbraw/zinc/37/33/90/945373390.db2.gz HURAJESSIZAOPL-VQTJNVASSA-N 0 0 417.425 4.135 20 5 HIBDRN CC(C)Cn1ncc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1C1CC1 ZINC000564169634 945415608 /nfs/dbraw/zinc/41/56/08/945415608.db2.gz GTQINXNCEHTCNU-UHFFFAOYSA-N 0 0 410.478 4.170 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000564254110 945471149 /nfs/dbraw/zinc/47/11/49/945471149.db2.gz WUCBCJUPQCXGHC-CJNGLKHVSA-N 0 0 416.302 4.152 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000564254114 945471749 /nfs/dbraw/zinc/47/17/49/945471749.db2.gz WUCBCJUPQCXGHC-CZUORRHYSA-N 0 0 416.302 4.152 20 5 HIBDRN COc1ccc(CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2ccncc2)cc1 ZINC000564260280 945477314 /nfs/dbraw/zinc/47/73/14/945477314.db2.gz VPEDWXPJRVPBJI-UHFFFAOYSA-N 0 0 418.453 4.420 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(Br)cc1F ZINC000564392677 945551117 /nfs/dbraw/zinc/55/11/17/945551117.db2.gz DMAJIZDQCRMTRL-NSHDSACASA-N 0 0 410.243 4.094 20 5 HIBDRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000564436401 945585216 /nfs/dbraw/zinc/58/52/16/945585216.db2.gz VLQHZKRSEKUGJT-OAHLLOKOSA-N 0 0 415.515 4.015 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000564483078 945615831 /nfs/dbraw/zinc/61/58/31/945615831.db2.gz ZRBKSJPGBQYWCA-UHFFFAOYSA-N 0 0 415.877 4.389 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000564681628 945727032 /nfs/dbraw/zinc/72/70/32/945727032.db2.gz ARKSBLBRZRRUOZ-UHFFFAOYSA-N 0 0 408.748 4.417 20 5 HIBDRN CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@H]1CCOC(C)(C)C1 ZINC000564689273 945732421 /nfs/dbraw/zinc/73/24/21/945732421.db2.gz RVUPQIUNFWAPQZ-ZDUSSCGKSA-N 0 0 414.300 4.477 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000564693327 945733849 /nfs/dbraw/zinc/73/38/49/945733849.db2.gz PPFWGBKXWJUMGR-DOTOQJQBSA-N 0 0 421.375 4.074 20 5 HIBDRN O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000564765647 945754930 /nfs/dbraw/zinc/75/49/30/945754930.db2.gz OUEAUYFMESUYMA-UHFFFAOYSA-N 0 0 403.803 4.353 20 5 HIBDRN CC(=O)Nc1ccc(OC[C@@H](O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000565292681 945804924 /nfs/dbraw/zinc/80/49/24/945804924.db2.gz ICDVMHRUWXEULT-HXUWFJFHSA-N 0 0 422.437 4.039 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C2CCCC2)n1C[C@H]1CCCO1 ZINC000565335103 945814772 /nfs/dbraw/zinc/81/47/72/945814772.db2.gz GVFXVIGESYRVAF-HXUWFJFHSA-N 0 0 413.522 4.438 20 5 HIBDRN O=C(C1CC1)[C@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 ZINC000565337169 945815233 /nfs/dbraw/zinc/81/52/33/945815233.db2.gz VGXXQOBPDVZSKY-HXUWFJFHSA-N 0 0 416.861 4.220 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCCOCC3CCC3)cc2[N+](=O)[O-])n1 ZINC000565338017 945816361 /nfs/dbraw/zinc/81/63/61/945816361.db2.gz VHIHAUZOVVEHPY-UHFFFAOYSA-N 0 0 407.517 4.057 20 5 HIBDRN C[C@@H](c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000565389463 945822592 /nfs/dbraw/zinc/82/25/92/945822592.db2.gz SNSDTBHHOLNMAU-LLVKDONJSA-N 0 0 420.347 4.330 20 5 HIBDRN CCN(CC)C(=O)Cc1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 ZINC000565429454 945827894 /nfs/dbraw/zinc/82/78/94/945827894.db2.gz KNHCLKUSZDOGJC-UHFFFAOYSA-N 0 0 423.391 4.277 20 5 HIBDRN C[C@H]1CO[C@H](c2ccccc2Cl)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000565448304 945832750 /nfs/dbraw/zinc/83/27/50/945832750.db2.gz ADHGNTIEQKBQGD-UGSOOPFHSA-N 0 0 413.865 4.010 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1[nH]c2ccccc2c1Br ZINC000565615899 945855082 /nfs/dbraw/zinc/85/50/82/945855082.db2.gz YFHXQBQOAUHJRI-UHFFFAOYSA-N 0 0 402.248 4.153 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000565851266 945893675 /nfs/dbraw/zinc/89/36/75/945893675.db2.gz RFQPCVSDIQBDCT-CQSZACIVSA-N 0 0 406.426 4.279 20 5 HIBDRN Cc1sc(C2(NC(=O)c3cc([N+](=O)[O-])cn3C)CCC2)nc1-c1ccccc1F ZINC000565853883 945894227 /nfs/dbraw/zinc/89/42/27/945894227.db2.gz IZMSMCFWAXFZBW-UHFFFAOYSA-N 0 0 414.462 4.314 20 5 HIBDRN COc1cc(Br)ccc1CCCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565867465 945899915 /nfs/dbraw/zinc/89/99/15/945899915.db2.gz PBEDCPMNJWVQIF-CYBMUJFWSA-N 0 0 421.291 4.218 20 5 HIBDRN C[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000565918043 945921128 /nfs/dbraw/zinc/92/11/28/945921128.db2.gz URIFHXDCAOBMAM-VIFPVBQESA-N 0 0 404.291 4.192 20 5 HIBDRN CC[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)Oc1cccc(F)c1 ZINC000565920496 945925799 /nfs/dbraw/zinc/92/57/99/945925799.db2.gz YLBGZJAJGYYDPK-LBPRGKRZSA-N 0 0 400.328 4.340 20 5 HIBDRN CCc1noc(C)c1CSCc1cc(I)cc([N+](=O)[O-])c1 ZINC000565983887 945963542 /nfs/dbraw/zinc/96/35/42/945963542.db2.gz NJAXXSGMKNRYIV-UHFFFAOYSA-N 0 0 418.256 4.492 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000566669254 946069643 /nfs/dbraw/zinc/06/96/43/946069643.db2.gz ABHLDELQYZBTHJ-GOSISDBHSA-N 0 0 404.369 4.026 20 5 HIBDRN COC(=O)c1cc(C)nc(N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c1[N+](=O)[O-] ZINC000566754514 946087813 /nfs/dbraw/zinc/08/78/13/946087813.db2.gz HXLVOKUQCQHUFA-GOSISDBHSA-N 0 0 423.473 4.357 20 5 HIBDRN Cc1ccc(Br)cc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000566766897 946093384 /nfs/dbraw/zinc/09/33/84/946093384.db2.gz MJJOHVFDDNYJPY-UHFFFAOYSA-N 0 0 406.236 4.092 20 5 HIBDRN Cc1ccc(-c2noc(-c3ccc(=O)n(Cc4ccccc4Cl)c3)n2)cc1[N+](=O)[O-] ZINC000566769105 946095599 /nfs/dbraw/zinc/09/55/99/946095599.db2.gz MPIDDAYLXDEFJV-UHFFFAOYSA-N 0 0 422.828 4.484 20 5 HIBDRN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000566829403 946121701 /nfs/dbraw/zinc/12/17/01/946121701.db2.gz GCCOBJJYLILPRK-SJORKVTESA-N 0 0 405.248 4.007 20 5 HIBDRN NC(=O)c1ccnc(N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000566829156 946122433 /nfs/dbraw/zinc/12/24/33/946122433.db2.gz GIZVMPSISUMDKQ-INIZCTEOSA-N 0 0 418.787 4.222 20 5 HIBDRN CC1CCN(C(=O)c2ccc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000566873948 946142219 /nfs/dbraw/zinc/14/22/19/946142219.db2.gz XYAPNJCYVPSKPU-UHFFFAOYSA-N 0 0 424.501 4.173 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ncccc2C(=O)c2ccc(F)cc2)c1 ZINC000566949842 946190111 /nfs/dbraw/zinc/19/01/11/946190111.db2.gz SFNVROYFKPARPM-UHFFFAOYSA-N 0 0 411.414 4.334 20 5 HIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000567140274 946250524 /nfs/dbraw/zinc/25/05/24/946250524.db2.gz UIKIBEQTZHWSDX-OAHLLOKOSA-N 0 0 410.655 4.383 20 5 HIBDRN CCCCOc1cc(OC)ccc1-c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000567397571 946324971 /nfs/dbraw/zinc/32/49/71/946324971.db2.gz JSRHBXPISOMJOX-UHFFFAOYSA-N 0 0 413.430 4.432 20 5 HIBDRN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000567412473 946330503 /nfs/dbraw/zinc/33/05/03/946330503.db2.gz GIQUHPISLSTXLL-IVZQSRNASA-N 0 0 422.485 4.420 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C2CCCC2)n1C[C@H]1CCOC1 ZINC000567533066 946364539 /nfs/dbraw/zinc/36/45/39/946364539.db2.gz VKNGYKWGSJXJDR-GOSISDBHSA-N 0 0 413.522 4.295 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C2CCCC2)n1C[C@@H]1CCOC1 ZINC000567533067 946364802 /nfs/dbraw/zinc/36/48/02/946364802.db2.gz VKNGYKWGSJXJDR-SFHVURJKSA-N 0 0 413.522 4.295 20 5 HIBDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)nc1 ZINC000567620104 946383442 /nfs/dbraw/zinc/38/34/42/946383442.db2.gz PNEHYDRBFQVZBG-UHFFFAOYSA-N 0 0 410.846 4.437 20 5 HIBDRN CC(C)CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCc2cccnc21 ZINC000567881813 946421817 /nfs/dbraw/zinc/42/18/17/946421817.db2.gz OUCNLLUCXSZRKF-IBGZPJMESA-N 0 0 403.429 4.373 20 5 HIBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000568036730 946449405 /nfs/dbraw/zinc/44/94/05/946449405.db2.gz SLDTWIQVLWXFJV-UHFFFAOYSA-N 0 0 400.841 4.258 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cccc1[N+](=O)[O-] ZINC000568428040 946539366 /nfs/dbraw/zinc/53/93/66/946539366.db2.gz BZBJDUZDUPKCAX-LBPRGKRZSA-N 0 0 411.384 4.067 20 5 HIBDRN CN(C(=O)c1ncsc1C(F)(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000568536327 946579138 /nfs/dbraw/zinc/57/91/38/946579138.db2.gz ZDZUJLQTZZPVJR-UHFFFAOYSA-N 0 0 414.390 4.470 20 5 HIBDRN CN(Cc1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1)C(=O)c1ccccc1 ZINC000568561520 946597988 /nfs/dbraw/zinc/59/79/88/946597988.db2.gz HTQRAFVDSKZZBH-UHFFFAOYSA-N 0 0 410.433 4.004 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccc(-n3cccn3)cc2)no1 ZINC000568797171 946697790 /nfs/dbraw/zinc/69/77/90/946697790.db2.gz DMTYWZVPCJECJE-SFHVURJKSA-N 0 0 403.442 4.491 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@H]2c3cc(Br)ccc3CC2(C)C)c1[N+](=O)[O-] ZINC000569155466 946826480 /nfs/dbraw/zinc/82/64/80/946826480.db2.gz HDIVLZKJBXSYLF-INIZCTEOSA-N 0 0 421.295 4.257 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)N(CC)Cc2ccccc2)no1 ZINC000569409666 946870332 /nfs/dbraw/zinc/87/03/32/946870332.db2.gz NSMMVALOIDSWHT-IBGZPJMESA-N 0 0 422.485 4.305 20 5 HIBDRN COc1cccc(C(=O)CCCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000569631807 946904521 /nfs/dbraw/zinc/90/45/21/946904521.db2.gz BEABVGGUZLUJEN-NRFANRHFSA-N 0 0 414.483 4.231 20 5 HIBDRN Cn1ccnc1[C@H](NCc1cc(Br)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000569712810 946951772 /nfs/dbraw/zinc/95/17/72/946951772.db2.gz FASMQGQIDYNJCE-QGZVFWFLSA-N 0 0 419.254 4.109 20 5 HIBDRN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)CC3 ZINC000569733700 946963563 /nfs/dbraw/zinc/96/35/63/946963563.db2.gz MDQLVBYIZLVSOP-KRWDZBQOSA-N 0 0 406.486 4.126 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000569747502 946976836 /nfs/dbraw/zinc/97/68/36/946976836.db2.gz RPWOPJFJPPZJOD-SFHVURJKSA-N 0 0 401.438 4.138 20 5 HIBDRN CC(C)(C)NC(=O)c1cccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 ZINC000569855714 947020069 /nfs/dbraw/zinc/02/00/69/947020069.db2.gz DGDAOQAKEYBFGU-UHFFFAOYSA-N 0 0 409.364 4.394 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cn(Cc3ccccc3)nn2)no1 ZINC000569964650 947054688 /nfs/dbraw/zinc/05/46/88/947054688.db2.gz TYLBFORDWKRTDU-QGZVFWFLSA-N 0 0 404.430 4.021 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3sc4ccccc4c3Br)n2)n1C ZINC000569974621 947058864 /nfs/dbraw/zinc/05/88/64/947058864.db2.gz ZDXJYOVGLFLOAD-UHFFFAOYSA-N 0 0 420.248 4.331 20 5 HIBDRN C[C@@H](C(=O)NCc1ccc(-n2cnc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 ZINC000570018674 947076510 /nfs/dbraw/zinc/07/65/10/947076510.db2.gz PYILVSUCXQRUCE-MRXNPFEDSA-N 0 0 400.438 4.354 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000570132200 947110024 /nfs/dbraw/zinc/11/00/24/947110024.db2.gz MNYIPTSCOHYYJS-INIZCTEOSA-N 0 0 419.485 4.448 20 5 HIBDRN COc1cccc(CCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1F ZINC000570233711 947155605 /nfs/dbraw/zinc/15/56/05/947155605.db2.gz ZNWNXQXDOFZNTA-UHFFFAOYSA-N 0 0 400.328 4.010 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3cc(Br)sc3Br)no2)[nH]1 ZINC000570272246 947177357 /nfs/dbraw/zinc/17/73/57/947177357.db2.gz RUWYLJZZRPXZTD-UHFFFAOYSA-N 0 0 420.042 4.226 20 5 HIBDRN CC(C)c1ccccc1N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000570427680 947237352 /nfs/dbraw/zinc/23/73/52/947237352.db2.gz QNVXUDCLQLEOQJ-UHFFFAOYSA-N 0 0 413.293 4.306 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000570538118 947280455 /nfs/dbraw/zinc/28/04/55/947280455.db2.gz WANVXQYYELHJGO-HXUWFJFHSA-N 0 0 403.429 4.409 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(-c3ccccc3)c(C)n2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000570612080 947315105 /nfs/dbraw/zinc/31/51/05/947315105.db2.gz LOIKYJFAZCOIQR-UHFFFAOYSA-N 0 0 414.425 4.107 20 5 HIBDRN CN(C(=O)CCCSc1ccc(Br)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000570758234 947348015 /nfs/dbraw/zinc/34/80/15/947348015.db2.gz PWQXFZRAGZTHJX-UHFFFAOYSA-N 0 0 410.293 4.288 20 5 HIBDRN Cc1ccc(C[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c2ccccn2)cc1 ZINC000570849154 947368472 /nfs/dbraw/zinc/36/84/72/947368472.db2.gz VNFBBNPNSLVNFM-OAQYLSRUSA-N 0 0 411.408 4.219 20 5 HIBDRN Cc1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])nn1-c1ccc(F)cc1F ZINC000571004425 947427363 /nfs/dbraw/zinc/42/73/63/947427363.db2.gz RZZSMCCMYWPLKC-UHFFFAOYSA-N 0 0 406.776 4.581 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1OCc1cscn1 ZINC000571013014 947438229 /nfs/dbraw/zinc/43/82/29/947438229.db2.gz VMTUZXZTAFRPKP-UHFFFAOYSA-N 0 0 422.466 4.084 20 5 HIBDRN C[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000571016136 947440953 /nfs/dbraw/zinc/44/09/53/947440953.db2.gz UENYUYNUJYFQRF-RQUSPXKASA-N 0 0 405.857 4.052 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@H]2c3ccccc3CC23CCOCC3)cc1[N+](=O)[O-] ZINC000571100898 947499133 /nfs/dbraw/zinc/49/91/33/947499133.db2.gz IZAKSFZNVRUUFK-IERDGZPVSA-N 0 0 409.486 4.358 20 5 HIBDRN CCc1nc([C@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)cs1 ZINC000571190907 947538786 /nfs/dbraw/zinc/53/87/86/947538786.db2.gz FICAJPNLWCYMAK-VIFPVBQESA-N 0 0 417.272 4.069 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)Cc1cc(C)nn1-c1ccccc1 ZINC000571213113 947549879 /nfs/dbraw/zinc/54/98/79/947549879.db2.gz XPHFQVAIYNKQOW-HNNXBMFYSA-N 0 0 407.474 4.404 20 5 HIBDRN COc1ccc(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1Cc1ccccc1 ZINC000571269672 947576201 /nfs/dbraw/zinc/57/62/01/947576201.db2.gz QQWHQJDQXVSNRW-UHFFFAOYSA-N 0 0 419.437 4.080 20 5 HIBDRN Cc1c(NC(=O)c2cnn(-c3ccccc3F)c2)cc(Br)cc1[N+](=O)[O-] ZINC000571381967 947631392 /nfs/dbraw/zinc/63/13/92/947631392.db2.gz IQRLHNQFTCRPOU-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000571423573 947639898 /nfs/dbraw/zinc/63/98/98/947639898.db2.gz FFPWJGAJNSSBGH-FQEVSTJZSA-N 0 0 409.486 4.407 20 5 HIBDRN CN(C(=O)Cc1csc2ccc(Br)cc12)c1ccc([N+](=O)[O-])nc1 ZINC000571530692 947692123 /nfs/dbraw/zinc/69/21/23/947692123.db2.gz WNXFLALULXLQFB-UHFFFAOYSA-N 0 0 406.261 4.173 20 5 HIBDRN CC(C)(c1nc(-c2ccc(N3CCCC3=O)cc2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000571800929 947787791 /nfs/dbraw/zinc/78/77/91/947787791.db2.gz CWKOAMAGUPZXPQ-UHFFFAOYSA-N 0 0 410.405 4.237 20 5 HIBDRN Cc1cccnc1OC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000571922639 947812457 /nfs/dbraw/zinc/81/24/57/947812457.db2.gz HZXKMDQYIFTQPT-UHFFFAOYSA-N 0 0 424.482 4.105 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccnc2OCC(F)F)no1 ZINC000571959361 947822167 /nfs/dbraw/zinc/82/21/67/947822167.db2.gz DANXONLQDXZGQV-CYBMUJFWSA-N 0 0 404.373 4.420 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC=C(c2ccc(F)cc2)CC1 ZINC000572178928 947857496 /nfs/dbraw/zinc/85/74/96/947857496.db2.gz PRCSMNJDHKAVEN-UHFFFAOYSA-N 0 0 408.433 4.257 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000572350409 947888983 /nfs/dbraw/zinc/88/89/83/947888983.db2.gz ORBYFIBYPMSAIF-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN Cn1nc(-c2cccs2)nc1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000572445058 947909350 /nfs/dbraw/zinc/90/93/50/947909350.db2.gz RFGWVDFBAPDYJG-UHFFFAOYSA-N 0 0 421.438 4.496 20 5 HIBDRN Cc1cccnc1C(C)(C)CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000572449429 947910567 /nfs/dbraw/zinc/91/05/67/947910567.db2.gz QTDVQMRKEBQXDC-UHFFFAOYSA-N 0 0 406.280 4.077 20 5 HIBDRN 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HIBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000014498923 845954827 /nfs/dbraw/zinc/95/48/27/845954827.db2.gz JWSJVHQCJCMNKM-XLNAKTSKSA-N 0 0 409.467 4.430 20 5 HIBDRN CCCn1c2ccccc2nc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014626201 845964846 /nfs/dbraw/zinc/96/48/46/845964846.db2.gz YYWFUYAZYDZHHI-UHFFFAOYSA-N 0 0 407.474 4.210 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc2c(cc1Cl)OCO2 ZINC000014809677 845982951 /nfs/dbraw/zinc/98/29/51/845982951.db2.gz ZDDDDXGLQRKVRW-UHFFFAOYSA-N 0 0 406.825 4.176 20 5 HIBDRN Cc1cccc(OCCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000014815281 845983286 /nfs/dbraw/zinc/98/32/86/845983286.db2.gz FBFVMORAXKRSBX-UHFFFAOYSA-N 0 0 400.478 4.048 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc([N+](=O)[O-])c1 ZINC000014862021 845987679 /nfs/dbraw/zinc/98/76/79/845987679.db2.gz NHIWBPXMSMFPQD-UHFFFAOYSA-N 0 0 416.393 4.177 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000014900107 845990762 /nfs/dbraw/zinc/99/07/62/845990762.db2.gz MXPHYJPDOKDALP-KRWDZBQOSA-N 0 0 400.478 4.431 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000015001335 845998778 /nfs/dbraw/zinc/99/87/78/845998778.db2.gz GOOURBHTGLZNRK-UHFFFAOYSA-N 0 0 409.364 4.023 20 5 HIBDRN COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])ccc2c1 ZINC000015029626 846002041 /nfs/dbraw/zinc/00/20/41/846002041.db2.gz ZKPXFYUDLPRANA-OAHLLOKOSA-N 0 0 423.469 4.224 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000015129456 846011782 /nfs/dbraw/zinc/01/17/82/846011782.db2.gz DKKSBWKGKQVZIP-CYBMUJFWSA-N 0 0 411.911 4.452 20 5 HIBDRN O=[N+]([O-])c1cc(F)ccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000015168081 846015701 /nfs/dbraw/zinc/01/57/01/846015701.db2.gz SDKDKYKGQXOJCS-UHFFFAOYSA-N 0 0 404.751 4.128 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1cccc(F)c1 ZINC000015183526 846016299 /nfs/dbraw/zinc/01/62/99/846016299.db2.gz RAAWDOSWUXHFNZ-UHFFFAOYSA-N 0 0 402.369 4.204 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)s1 ZINC000015194639 846018434 /nfs/dbraw/zinc/01/84/34/846018434.db2.gz DQLBJYGKOBYUQW-UHFFFAOYSA-N 0 0 411.439 4.307 20 5 HIBDRN O=[N+]([O-])c1cccc(OC[C@H](O)CSc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000015235612 846021154 /nfs/dbraw/zinc/02/11/54/846021154.db2.gz VOZVLMZBKZFTJP-NSHDSACASA-N 0 0 408.785 4.194 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1C ZINC000015243992 846023265 /nfs/dbraw/zinc/02/32/65/846023265.db2.gz SFEVPKADVZBWDP-UHFFFAOYSA-N 0 0 406.794 4.267 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000015359167 846040094 /nfs/dbraw/zinc/04/00/94/846040094.db2.gz KGVOZEKRAFZEQD-UHFFFAOYSA-N 0 0 420.424 4.308 20 5 HIBDRN Cc1csc(-c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)n1 ZINC000015359266 846040276 /nfs/dbraw/zinc/04/02/76/846040276.db2.gz HKHGGLSLHHWHNL-UHFFFAOYSA-N 0 0 404.469 4.411 20 5 HIBDRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000015390327 846044256 /nfs/dbraw/zinc/04/42/56/846044256.db2.gz MZCQZWXLCHEDRS-HZPDHXFCSA-N 0 0 411.458 4.015 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000015408248 846045494 /nfs/dbraw/zinc/04/54/94/846045494.db2.gz POLWRXGUXOYIET-UHFFFAOYSA-N 0 0 421.796 4.301 20 5 HIBDRN COc1cc(C(=O)NCc2cccnc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000015434386 846048549 /nfs/dbraw/zinc/04/85/49/846048549.db2.gz KBZZKVKBOKGTTM-UHFFFAOYSA-N 0 0 413.817 4.374 20 5 HIBDRN COc1ccccc1C(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000015600636 846071371 /nfs/dbraw/zinc/07/13/71/846071371.db2.gz UHCPQHLFALMFHE-UHFFFAOYSA-N 0 0 422.393 4.084 20 5 HIBDRN C[C@H]1CC(=O)c2c1c(F)ccc2OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000015635403 846076935 /nfs/dbraw/zinc/07/69/35/846076935.db2.gz FYNOKPMBCJSISS-QMMMGPOBSA-N 0 0 408.179 4.406 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Br)c1 ZINC000015699062 846084445 /nfs/dbraw/zinc/08/44/45/846084445.db2.gz YZOJXNXGFMDZSK-LBPRGKRZSA-N 0 0 421.247 4.158 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015739751 846088732 /nfs/dbraw/zinc/08/87/32/846088732.db2.gz PNUJRHSWGNPDQQ-UHFFFAOYSA-N 0 0 422.312 4.477 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(Cl)nc(Cl)c1 ZINC000015819782 846096163 /nfs/dbraw/zinc/09/61/63/846096163.db2.gz LTWWUWORBFCYAV-UHFFFAOYSA-N 0 0 423.178 4.157 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000015828243 846096478 /nfs/dbraw/zinc/09/64/78/846096478.db2.gz DNZNUFMCIJEBBW-LJQANCHMSA-N 0 0 411.458 4.164 20 5 HIBDRN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000015834946 846097733 /nfs/dbraw/zinc/09/77/33/846097733.db2.gz FRSXIJARERFGPF-UHFFFAOYSA-N 0 0 416.890 4.143 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)OCCCC2CCCCC2)cc1[N+](=O)[O-] ZINC000015962468 846105181 /nfs/dbraw/zinc/10/51/81/846105181.db2.gz WJIGBBWFQJLCFR-UHFFFAOYSA-N 0 0 404.492 4.392 20 5 HIBDRN Cc1ccc(C2=NN(C(=O)COc3cc(F)ccc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC000016049702 846116149 /nfs/dbraw/zinc/11/61/49/846116149.db2.gz IGUGZAUEMABIJO-LJQANCHMSA-N 0 0 423.400 4.392 20 5 HIBDRN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016057996 846118229 /nfs/dbraw/zinc/11/82/29/846118229.db2.gz ZAWADZONKNDTBC-UHFFFAOYSA-N 0 0 411.845 4.471 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)CSc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000016144724 846129684 /nfs/dbraw/zinc/12/96/84/846129684.db2.gz AUMGLYFLSSXPQU-KRWDZBQOSA-N 0 0 420.462 4.025 20 5 HIBDRN Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016166547 846132554 /nfs/dbraw/zinc/13/25/54/846132554.db2.gz WMEJLHKIEWQNMW-OAHLLOKOSA-N 0 0 405.410 4.149 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000016180680 846134229 /nfs/dbraw/zinc/13/42/29/846134229.db2.gz QNCUGAKNZQIPRB-UHFFFAOYSA-N 0 0 424.384 4.227 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000016196019 846137462 /nfs/dbraw/zinc/13/74/62/846137462.db2.gz OGVOGNIPUYURHB-UHFFFAOYSA-N 0 0 414.361 4.131 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000016196505 846137477 /nfs/dbraw/zinc/13/74/77/846137477.db2.gz OVUNETICQOPVTH-SNVBAGLBSA-N 0 0 424.862 4.163 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000016196501 846137551 /nfs/dbraw/zinc/13/75/51/846137551.db2.gz FWJUROHEQASHIQ-VIFPVBQESA-N 0 0 412.826 4.293 20 5 HIBDRN COc1ccc(CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1OC ZINC000016601286 846189638 /nfs/dbraw/zinc/18/96/38/846189638.db2.gz RJHOWQPSWGXLHK-UHFFFAOYSA-N 0 0 421.453 4.328 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Sc2ncnc3sc(C)c(C)c32)c([N+](=O)[O-])c1 ZINC000016717563 846199732 /nfs/dbraw/zinc/19/97/32/846199732.db2.gz BKELWCQXKRHZPC-LLVKDONJSA-N 0 0 418.500 4.344 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](OC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000016742917 846204898 /nfs/dbraw/zinc/20/48/98/846204898.db2.gz DLTGNLMPJNYJIZ-FQEVSTJZSA-N 0 0 406.394 4.140 20 5 HIBDRN COc1ccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2)cc1 ZINC000016745997 846205131 /nfs/dbraw/zinc/20/51/31/846205131.db2.gz ZUFAZXOEZUJMFR-OAQYLSRUSA-N 0 0 420.421 4.449 20 5 HIBDRN C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)NCc1ccc(Cl)cc1 ZINC000016800330 846212298 /nfs/dbraw/zinc/21/22/98/846212298.db2.gz KJQHTQFWSBUPES-LLVKDONJSA-N 0 0 418.858 4.325 20 5 HIBDRN C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000017279862 846240726 /nfs/dbraw/zinc/24/07/26/846240726.db2.gz CSWHBIHLCWDEQJ-VIFPVBQESA-N 0 0 407.883 4.171 20 5 HIBDRN COc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000017325033 846247296 /nfs/dbraw/zinc/24/72/96/846247296.db2.gz KIRPKJFUXHTDNV-BETUJISGSA-N 0 0 420.849 4.299 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017483068 846254409 /nfs/dbraw/zinc/25/44/09/846254409.db2.gz FLULZEDDBOONIG-VIFPVBQESA-N 0 0 418.749 4.124 20 5 HIBDRN C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017529010 846257436 /nfs/dbraw/zinc/25/74/36/846257436.db2.gz NCYHLUZZIWFLDO-VIFPVBQESA-N 0 0 418.749 4.124 20 5 HIBDRN C[C@H](OC(=O)c1nc(Cl)ccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017652633 846261663 /nfs/dbraw/zinc/26/16/63/846261663.db2.gz MANYNGQXUFVVHT-QMMMGPOBSA-N 0 0 409.185 4.265 20 5 HIBDRN CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccco1 ZINC000017653142 846262651 /nfs/dbraw/zinc/26/26/51/846262651.db2.gz VMGBBPXSUORHTN-LLVKDONJSA-N 0 0 412.431 4.370 20 5 HIBDRN Cc1nnc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1Cc1ccccc1 ZINC000017664604 846263452 /nfs/dbraw/zinc/26/34/52/846263452.db2.gz WGHAZIKKYBZPLZ-ZDUSSCGKSA-N 0 0 422.470 4.446 20 5 HIBDRN CCOc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)c[nH]2)c([N+](=O)[O-])c1 ZINC000017749286 846268288 /nfs/dbraw/zinc/26/82/88/846268288.db2.gz RQBQQVFVVRBARH-UHFFFAOYSA-N 0 0 416.434 4.254 20 5 HIBDRN Cc1nc(-c2cccs2)sc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017830789 846270852 /nfs/dbraw/zinc/27/08/52/846270852.db2.gz YXTKALKDVTWZOD-LLVKDONJSA-N 0 0 417.468 4.272 20 5 HIBDRN Cc1ccc(-n2nnnc2S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000017988185 846282187 /nfs/dbraw/zinc/28/21/87/846282187.db2.gz DPXNQHSTEHMWGD-ZDUSSCGKSA-N 0 0 423.458 4.091 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000018004358 846283707 /nfs/dbraw/zinc/28/37/07/846283707.db2.gz JIWNRXBKKNSYNX-UHFFFAOYSA-N 0 0 410.257 4.393 20 5 HIBDRN C[C@@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000018025049 846287292 /nfs/dbraw/zinc/28/72/92/846287292.db2.gz XERXTEQJTWJZRX-CYBMUJFWSA-N 0 0 413.817 4.223 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNC(=S)Nc1ccc(F)cc1F ZINC000018146092 846301683 /nfs/dbraw/zinc/30/16/83/846301683.db2.gz OMDOKYQYXRQMBA-UHFFFAOYSA-N 0 0 420.363 4.290 20 5 HIBDRN COc1ccccc1NC(=S)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000018146088 846301888 /nfs/dbraw/zinc/30/18/88/846301888.db2.gz TVOICCLMOKVSGR-UHFFFAOYSA-N 0 0 414.409 4.021 20 5 HIBDRN CCOc1cc(C(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000018344527 846321870 /nfs/dbraw/zinc/32/18/70/846321870.db2.gz OZWZOHXBWJGXMH-LLVKDONJSA-N 0 0 407.806 4.084 20 5 HIBDRN Cc1cccc(-c2nnc(COC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)o2)c1 ZINC000018537852 846331151 /nfs/dbraw/zinc/33/11/51/846331151.db2.gz MBCPVWRRMFDRIZ-UHFFFAOYSA-N 0 0 422.441 4.301 20 5 HIBDRN C[C@H](OC(=O)/C=C/Sc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000018803707 846342776 /nfs/dbraw/zinc/34/27/76/846342776.db2.gz MJWZYJRNPMMPLA-VMPCVLLUSA-N 0 0 406.847 4.424 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc([N+](=O)[O-])c1 ZINC000018824534 846344085 /nfs/dbraw/zinc/34/40/85/846344085.db2.gz WICPIUYSLUVCJL-UHFFFAOYSA-N 0 0 411.439 4.456 20 5 HIBDRN O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cc(-c2ccccc2)on1 ZINC000018952250 846348419 /nfs/dbraw/zinc/34/84/19/846348419.db2.gz FBNQAWZSAREWTA-UHFFFAOYSA-N 0 0 421.331 4.424 20 5 HIBDRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000019161513 846354490 /nfs/dbraw/zinc/35/44/90/846354490.db2.gz VBHMPDYKBUPNJD-IYBDPMFKSA-N 0 0 411.458 4.015 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000019160793 846354584 /nfs/dbraw/zinc/35/45/84/846354584.db2.gz WMNHBAPBDRCXFL-UHFFFAOYSA-N 0 0 417.421 4.071 20 5 HIBDRN Cc1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1[N+](=O)[O-] ZINC000019160620 846354944 /nfs/dbraw/zinc/35/49/44/846354944.db2.gz TZSFYNDIVLQANE-UHFFFAOYSA-N 0 0 417.421 4.071 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000019284597 846361273 /nfs/dbraw/zinc/36/12/73/846361273.db2.gz CSEOQFLBHOEANA-VIFPVBQESA-N 0 0 413.213 4.094 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1[N+](=O)[O-] ZINC000020023051 846376448 /nfs/dbraw/zinc/37/64/48/846376448.db2.gz UQMOBUDYSDILMX-UHFFFAOYSA-N 0 0 401.419 4.432 20 5 HIBDRN O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000020749700 846388625 /nfs/dbraw/zinc/38/86/25/846388625.db2.gz SBMRZLCBIYFSOQ-UHFFFAOYSA-N 0 0 414.414 4.161 20 5 HIBDRN COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000021491982 846453033 /nfs/dbraw/zinc/45/30/33/846453033.db2.gz QWUBABFISRUSKU-UHFFFAOYSA-N 0 0 418.862 4.173 20 5 HIBDRN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000021610411 846471939 /nfs/dbraw/zinc/47/19/39/846471939.db2.gz MCEZGITYEPPHHB-UHFFFAOYSA-N 0 0 423.450 4.231 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2csc3c2CC[C@@H](C)C3)cccc1[N+](=O)[O-] ZINC000021661116 846478652 /nfs/dbraw/zinc/47/86/52/846478652.db2.gz CPLSRQDFUMAAPP-DGCLKSJQSA-N 0 0 402.472 4.274 20 5 HIBDRN C[C@H](SC(=S)N1CCCC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000021728012 846487180 /nfs/dbraw/zinc/48/71/80/846487180.db2.gz MIKKLVQNJHBRQK-NSHDSACASA-N 0 0 422.557 4.159 20 5 HIBDRN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021743625 846490382 /nfs/dbraw/zinc/49/03/82/846490382.db2.gz QRHFTCIPGRGDOK-CQSZACIVSA-N 0 0 423.498 4.231 20 5 HIBDRN COc1cc(CSc2ncn(-c3ccccc3)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000021757274 846491804 /nfs/dbraw/zinc/49/18/04/846491804.db2.gz BWMSHWZEMGPRDO-UHFFFAOYSA-N 0 0 408.386 4.078 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)CSc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000021975190 846516168 /nfs/dbraw/zinc/51/61/68/846516168.db2.gz WVIYDHILCLCIKH-LBPRGKRZSA-N 0 0 408.863 4.219 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000022003877 846519494 /nfs/dbraw/zinc/51/94/94/846519494.db2.gz VQLBEEODARQRDN-HXUWFJFHSA-N 0 0 418.449 4.160 20 5 HIBDRN COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)c([N+](=O)[O-])cc1O ZINC000022018258 846521611 /nfs/dbraw/zinc/52/16/11/846521611.db2.gz SBUVAXRMOQRRNM-QFIPXVFZSA-N 0 0 419.437 4.384 20 5 HIBDRN CSc1ccc(C(=O)O[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000022161757 846538755 /nfs/dbraw/zinc/53/87/55/846538755.db2.gz QGONXMFAASRWML-OAHLLOKOSA-N 0 0 416.499 4.299 20 5 HIBDRN CSc1ccc(C(=O)OCC(=O)N[C@H](c2ccc(C)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000022161072 846538873 /nfs/dbraw/zinc/53/88/73/846538873.db2.gz HCEWAGBCSAHQSB-HXUWFJFHSA-N 0 0 414.483 4.049 20 5 HIBDRN Cc1cc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000022207755 846545866 /nfs/dbraw/zinc/54/58/66/846545866.db2.gz QFAPKLDNHNPVML-CYBMUJFWSA-N 0 0 418.471 4.115 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000022374129 846562477 /nfs/dbraw/zinc/56/24/77/846562477.db2.gz CUOLRTFFAUIZFC-UHFFFAOYSA-N 0 0 416.648 4.266 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000022468460 846575219 /nfs/dbraw/zinc/57/52/19/846575219.db2.gz GZGDWFXKZVCEMF-GHMZBOCLSA-N 0 0 411.241 4.324 20 5 HIBDRN C[C@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022550774 846585796 /nfs/dbraw/zinc/58/57/96/846585796.db2.gz SPBWGFCEFZDVKP-VKJYCEFSSA-N 0 0 409.225 4.485 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000022590317 846591320 /nfs/dbraw/zinc/59/13/20/846591320.db2.gz UDYUDBWYTKOAFF-OAHLLOKOSA-N 0 0 401.850 4.048 20 5 HIBDRN C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1c2ccccc2CC[C@@H]1C ZINC000022795286 846621900 /nfs/dbraw/zinc/62/19/00/846621900.db2.gz NLOSGOVRVMRMNM-STQMWFEESA-N 0 0 402.834 4.161 20 5 HIBDRN CCOc1ccccc1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436364478 861699356 /nfs/dbraw/zinc/69/93/56/861699356.db2.gz HHZQIPDRTWHPHO-UHFFFAOYSA-N 0 0 422.431 4.331 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000022984087 846644352 /nfs/dbraw/zinc/64/43/52/846644352.db2.gz HGXZVUVFBDEVSN-UHFFFAOYSA-N 0 0 407.451 4.399 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000023123302 846661786 /nfs/dbraw/zinc/66/17/86/846661786.db2.gz DWSUZEQFTOPMDB-ZDUSSCGKSA-N 0 0 421.906 4.204 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000023222256 846672360 /nfs/dbraw/zinc/67/23/60/846672360.db2.gz SSCIBKBSSDLGHR-OAHLLOKOSA-N 0 0 415.789 4.191 20 5 HIBDRN Cc1ccc(C=Cc2nc(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n[nH]2)o1 ZINC000023223343 846673446 /nfs/dbraw/zinc/67/34/46/846673446.db2.gz GSASCWDFHUFQBA-LXSSAFMLSA-N 0 0 417.422 4.043 20 5 HIBDRN COc1cc(C(=O)OCCOc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000023472096 846704500 /nfs/dbraw/zinc/70/45/00/846704500.db2.gz OFKYGJPCLURGOP-UHFFFAOYSA-N 0 0 416.213 4.155 20 5 HIBDRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCc1cccc([N+](=O)[O-])c1 ZINC000023470837 846704904 /nfs/dbraw/zinc/70/49/04/846704904.db2.gz PUUBTOGJOMTYON-NRFANRHFSA-N 0 0 404.422 4.199 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000023512110 846712873 /nfs/dbraw/zinc/71/28/73/846712873.db2.gz AUXONCYBIPTZKS-AWEZNQCLSA-N 0 0 423.498 4.481 20 5 HIBDRN C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000023513816 846713622 /nfs/dbraw/zinc/71/36/22/846713622.db2.gz RLBDXIZECKJUGE-MRXNPFEDSA-N 0 0 404.422 4.297 20 5 HIBDRN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000023787862 846750767 /nfs/dbraw/zinc/75/07/67/846750767.db2.gz BGJRLVYMCVNHDP-UHFFFAOYSA-N 0 0 407.392 4.486 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2nncn2-c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000024023310 846776396 /nfs/dbraw/zinc/77/63/96/846776396.db2.gz IQESBCPSNKSMNI-LBPRGKRZSA-N 0 0 417.878 4.257 20 5 HIBDRN CCCn1c2nnc(S[C@H](C)c3cccc([N+](=O)[O-])c3)n2c2ccccc2c1=O ZINC000024074344 846784822 /nfs/dbraw/zinc/78/48/22/846784822.db2.gz CTFMYGZHEZVFQZ-CYBMUJFWSA-N 0 0 409.471 4.216 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000024122909 846793375 /nfs/dbraw/zinc/79/33/75/846793375.db2.gz CARCUPJCMGLCHO-HNNXBMFYSA-N 0 0 420.849 4.008 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000024223793 846804085 /nfs/dbraw/zinc/80/40/85/846804085.db2.gz LCAAAUFYLYINKY-UHFFFAOYSA-N 0 0 406.394 4.213 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000436378162 861720332 /nfs/dbraw/zinc/72/03/32/861720332.db2.gz KSOFSICPDMOOEF-UONOGXRCSA-N 0 0 406.236 4.044 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)nc3ccccc32)cccc1[N+](=O)[O-] ZINC000024337961 846814550 /nfs/dbraw/zinc/81/45/50/846814550.db2.gz WQZLTORMZQBWBO-LBPRGKRZSA-N 0 0 413.817 4.289 20 5 HIBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000024376410 846819333 /nfs/dbraw/zinc/81/93/33/846819333.db2.gz ZLXMKOSXIDBTMN-UHFFFAOYSA-N 0 0 407.401 4.283 20 5 HIBDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000024779443 846866305 /nfs/dbraw/zinc/86/63/05/846866305.db2.gz VMZUSSYJSPCNHS-UHFFFAOYSA-N 0 0 417.878 4.177 20 5 HIBDRN COc1cc(COc2ccc([N+](=O)[O-])cc2Cl)c([N+](=O)[O-])cc1OC(F)F ZINC000024951586 846896049 /nfs/dbraw/zinc/89/60/49/846896049.db2.gz BZQLNTOHKOOJQT-UHFFFAOYSA-N 0 0 404.709 4.345 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCc2c(Br)cccc2C1 ZINC000436390952 861733536 /nfs/dbraw/zinc/73/35/36/861733536.db2.gz PFDXXOFRTLNKIQ-UHFFFAOYSA-N 0 0 402.170 4.334 20 5 HIBDRN COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000025309243 846957887 /nfs/dbraw/zinc/95/78/87/846957887.db2.gz NKJPDZQGHFGYLF-OAQYLSRUSA-N 0 0 423.425 4.076 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)c(OC)cc1C ZINC000436393144 861737829 /nfs/dbraw/zinc/73/78/29/861737829.db2.gz SUFKGLRLFNGIRL-UHFFFAOYSA-N 0 0 418.471 4.128 20 5 HIBDRN CCOc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000025387339 846971268 /nfs/dbraw/zinc/97/12/68/846971268.db2.gz SJCADPJIPAGCKR-QWHCGFSZSA-N 0 0 420.849 4.070 20 5 HIBDRN O=C(Nc1ccc2c(c1)NC(=O)CO2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000025702109 847022629 /nfs/dbraw/zinc/02/26/29/847022629.db2.gz WPNVXBIUAPZETD-UHFFFAOYSA-N 0 0 421.434 4.329 20 5 HIBDRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000025847872 847045713 /nfs/dbraw/zinc/04/57/13/847045713.db2.gz VIHCWEAHPATSMB-UHFFFAOYSA-N 0 0 405.458 4.449 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000025907657 847055961 /nfs/dbraw/zinc/05/59/61/847055961.db2.gz SCGGYRNLMDAVNH-OAQYLSRUSA-N 0 0 411.483 4.291 20 5 HIBDRN Cc1ccc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1[N+](=O)[O-] ZINC000025923933 847057686 /nfs/dbraw/zinc/05/76/86/847057686.db2.gz QYULTDCBUCGMBV-UHFFFAOYSA-N 0 0 414.259 4.346 20 5 HIBDRN O=C(Nc1cccc(COc2cccc(F)c2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000026012080 847071557 /nfs/dbraw/zinc/07/15/57/847071557.db2.gz DNGAMPVPXFNKBX-UHFFFAOYSA-N 0 0 406.373 4.442 20 5 HIBDRN O=C(CCn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccccc1[N+](=O)[O-] ZINC000026026493 847072548 /nfs/dbraw/zinc/07/25/48/847072548.db2.gz XDBDAGJVANPYEL-UHFFFAOYSA-N 0 0 420.450 4.062 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nc2cc(Cl)ccc2[nH]1 ZINC000026251220 847112297 /nfs/dbraw/zinc/11/22/97/847112297.db2.gz WQSWHIWZYNLPGL-UHFFFAOYSA-N 0 0 406.851 4.254 20 5 HIBDRN Cn1c(SCCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1Cl ZINC000026264860 847117766 /nfs/dbraw/zinc/11/77/66/847117766.db2.gz PBDOGVGZCQHYSP-UHFFFAOYSA-N 0 0 417.878 4.165 20 5 HIBDRN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026346923 847128968 /nfs/dbraw/zinc/12/89/68/847128968.db2.gz ILWKDWGGKGJSBY-GOSISDBHSA-N 0 0 403.482 4.321 20 5 HIBDRN COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026348932 847130240 /nfs/dbraw/zinc/13/02/40/847130240.db2.gz VQSMVTVCZOVYSB-QFIPXVFZSA-N 0 0 405.454 4.415 20 5 HIBDRN CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000026347857 847130340 /nfs/dbraw/zinc/13/03/40/847130340.db2.gz PBEDIVGTHAZPSQ-UHFFFAOYSA-N 0 0 406.467 4.192 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nnc(-c2cccs2)o1 ZINC000026494442 847159142 /nfs/dbraw/zinc/15/91/42/847159142.db2.gz YZZNJOWMCRKIFV-MRVPVSSYSA-N 0 0 424.232 4.387 20 5 HIBDRN COC(=O)c1ccc(F)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000026497610 847159675 /nfs/dbraw/zinc/15/96/75/847159675.db2.gz XBEGSXWRYLJIOW-UHFFFAOYSA-N 0 0 415.421 4.009 20 5 HIBDRN CC(=O)c1ccc(N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 ZINC000026758900 847193382 /nfs/dbraw/zinc/19/33/82/847193382.db2.gz UVJPQWBNLQYTSO-AWEZNQCLSA-N 0 0 410.499 4.290 20 5 HIBDRN Cc1c(C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)sc2cccc(F)c12 ZINC000026766607 847194460 /nfs/dbraw/zinc/19/44/60/847194460.db2.gz KRKYMTNYTQBQSM-UHFFFAOYSA-N 0 0 414.414 4.003 20 5 HIBDRN NC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 ZINC000026827778 847203802 /nfs/dbraw/zinc/20/38/02/847203802.db2.gz OGKXQBNMTICDBK-UHFFFAOYSA-N 0 0 408.439 4.489 20 5 HIBDRN O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000027390588 847295361 /nfs/dbraw/zinc/29/53/61/847295361.db2.gz UVNATIPVKRLUOU-UHFFFAOYSA-N 0 0 418.449 4.125 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000027535677 847316458 /nfs/dbraw/zinc/31/64/58/847316458.db2.gz VNLZDCWBDMGFPJ-LBPRGKRZSA-N 0 0 411.380 4.081 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC000027900555 847362159 /nfs/dbraw/zinc/36/21/59/847362159.db2.gz ILDKBBFLWFFPND-PMAPCBKXSA-N 0 0 423.513 4.291 20 5 HIBDRN O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000027985646 847371744 /nfs/dbraw/zinc/37/17/44/847371744.db2.gz LSHNLPWIDFBCCG-UHFFFAOYSA-N 0 0 414.805 4.415 20 5 HIBDRN COc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000028043003 847379105 /nfs/dbraw/zinc/37/91/05/847379105.db2.gz FSPSFKLZLRAVOU-JTQLQIEISA-N 0 0 419.286 4.292 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCc2c(C)cc(C)c(C(C)=O)c2C)cc1OC ZINC000028174441 847391705 /nfs/dbraw/zinc/39/17/05/847391705.db2.gz UDMZEWZVPJCAHB-UHFFFAOYSA-N 0 0 415.442 4.487 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2F)cc1OC ZINC000028241010 847398709 /nfs/dbraw/zinc/39/87/09/847398709.db2.gz DAIOHSFLMLAENY-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000028400824 847416077 /nfs/dbraw/zinc/41/60/77/847416077.db2.gz OKDPAAOOIPRTTM-OAHLLOKOSA-N 0 0 416.499 4.299 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000436428521 861789630 /nfs/dbraw/zinc/78/96/30/861789630.db2.gz DYZZFLYWQUZDHZ-QFBILLFUSA-N 0 0 409.829 4.012 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000028683530 847447075 /nfs/dbraw/zinc/44/70/75/847447075.db2.gz QIVXOOPDQVQWQI-ZIAGYGMSSA-N 0 0 420.560 4.403 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1[N+](=O)[O-] ZINC000028783647 847460276 /nfs/dbraw/zinc/46/02/76/847460276.db2.gz MGPUMPVPQTVJFX-UHFFFAOYSA-N 0 0 404.444 4.136 20 5 HIBDRN C[C@H](Cc1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)o1)c1ccccc1 ZINC000028806049 847462674 /nfs/dbraw/zinc/46/26/74/847462674.db2.gz HODLWPIPZVWFRO-CYBMUJFWSA-N 0 0 413.455 4.483 20 5 HIBDRN CCOc1ccc(C(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000028876057 847470355 /nfs/dbraw/zinc/47/03/55/847470355.db2.gz QFBHYUPFAUQBPG-UHFFFAOYSA-N 0 0 400.431 4.302 20 5 HIBDRN Cc1ccc2c(CC(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)coc2c1 ZINC000028937129 847482405 /nfs/dbraw/zinc/48/24/05/847482405.db2.gz SJOKCDFGOLCLQW-GFCCVEGCSA-N 0 0 416.817 4.416 20 5 HIBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H](C)c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000029070843 847499778 /nfs/dbraw/zinc/49/97/78/847499778.db2.gz CSQXUZCXSXYGJH-LSDHHAIUSA-N 0 0 421.453 4.212 20 5 HIBDRN CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000029330573 847546692 /nfs/dbraw/zinc/54/66/92/847546692.db2.gz HELJVXGPBAXSKQ-UHFFFAOYSA-N 0 0 401.426 4.487 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc([N+](=O)[O-])c1 ZINC000029354603 847550687 /nfs/dbraw/zinc/55/06/87/847550687.db2.gz LTZZPYJDGUOFSY-UHFFFAOYSA-N 0 0 415.402 4.286 20 5 HIBDRN COc1cc(C(=O)Nc2ccn(C)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000029469352 847566856 /nfs/dbraw/zinc/56/68/56/847566856.db2.gz OMUQQYIYZSVKNW-UHFFFAOYSA-N 0 0 402.794 4.035 20 5 HIBDRN CSc1ccc(C(=O)Nc2nc(CN3CCCCCC3)cs2)cc1[N+](=O)[O-] ZINC000029634075 847592446 /nfs/dbraw/zinc/59/24/46/847592446.db2.gz ASJAVEFSDLQHQW-UHFFFAOYSA-N 0 0 406.533 4.402 20 5 HIBDRN Cc1cc(CN(C)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)no1 ZINC000029726504 847609981 /nfs/dbraw/zinc/60/99/81/847609981.db2.gz JJCAWUZGDQNFQL-LJQANCHMSA-N 0 0 414.849 4.356 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nc4ccccn4c3[N+](=O)[O-])cc2)cc1 ZINC000029847778 847632197 /nfs/dbraw/zinc/63/21/97/847632197.db2.gz BLGGRWQBTCGNTG-UHFFFAOYSA-N 0 0 424.438 4.144 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000436465536 861814691 /nfs/dbraw/zinc/81/46/91/861814691.db2.gz WKQOIXMEYZFBOR-OAHLLOKOSA-N 0 0 406.719 4.186 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000030333274 847703010 /nfs/dbraw/zinc/70/30/10/847703010.db2.gz KXFLUSUEYRIXID-GOSISDBHSA-N 0 0 406.460 4.172 20 5 HIBDRN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000030330253 847703463 /nfs/dbraw/zinc/70/34/63/847703463.db2.gz WZJNBYGFZYSBOZ-UHFFFAOYSA-N 0 0 412.467 4.307 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000030333111 847703702 /nfs/dbraw/zinc/70/37/02/847703702.db2.gz VHCYEUYKSQWPOS-CQSZACIVSA-N 0 0 417.512 4.081 20 5 HIBDRN O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000030391638 847710662 /nfs/dbraw/zinc/71/06/62/847710662.db2.gz OZVDPZGKFHTTQT-UHFFFAOYSA-N 0 0 410.357 4.294 20 5 HIBDRN Cc1ncc2c(n1)CC[C@H](NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)C2 ZINC000030389005 847711103 /nfs/dbraw/zinc/71/11/03/847711103.db2.gz XHYMZEAUZRHNJM-KRWDZBQOSA-N 0 0 414.531 4.119 20 5 HIBDRN CC(C)COc1ccc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000030512670 847726315 /nfs/dbraw/zinc/72/63/15/847726315.db2.gz TYWKNZAPUOUXNO-ZDUSSCGKSA-N 0 0 419.865 4.040 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Br)cc1Cl ZINC000030530010 847729090 /nfs/dbraw/zinc/72/90/90/847729090.db2.gz LPZVQBVPOIQISP-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN COc1cc(C(=O)NCCc2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000030689168 847759985 /nfs/dbraw/zinc/75/99/85/847759985.db2.gz JDEYLHJQRBZVFG-UHFFFAOYSA-N 0 0 408.401 4.301 20 5 HIBDRN COc1cc(C(=O)NC[C@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000030897144 847793294 /nfs/dbraw/zinc/79/32/94/847793294.db2.gz XDENGBKCEMWDIJ-CYBMUJFWSA-N 0 0 406.385 4.055 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Cl ZINC000031056174 847816207 /nfs/dbraw/zinc/81/62/07/847816207.db2.gz DZZDMDSDSMMVPM-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031227793 847846706 /nfs/dbraw/zinc/84/67/06/847846706.db2.gz RNPFEVUPFRJFRV-UHFFFAOYSA-N 0 0 406.398 4.074 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000031394590 847874426 /nfs/dbraw/zinc/87/44/26/847874426.db2.gz UQEFQPPJFOQWOA-CYBMUJFWSA-N 0 0 408.458 4.009 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000031484376 847893990 /nfs/dbraw/zinc/89/39/90/847893990.db2.gz ZGWLJDCNOCSWDT-ZDUSSCGKSA-N 0 0 407.264 4.312 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1[N+](=O)[O-] ZINC000031562462 847908550 /nfs/dbraw/zinc/90/85/50/847908550.db2.gz UMLMNEJPOPUSOS-GFCCVEGCSA-N 0 0 414.462 4.441 20 5 HIBDRN CC(C)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000031716434 847937178 /nfs/dbraw/zinc/93/71/78/847937178.db2.gz PIGINOJIIKOKHO-UHFFFAOYSA-N 0 0 424.238 4.250 20 5 HIBDRN COc1ccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000031744428 847942584 /nfs/dbraw/zinc/94/25/84/847942584.db2.gz DUPBRCJRZOYPQY-NSHDSACASA-N 0 0 412.414 4.002 20 5 HIBDRN Cc1nccc(-c2cccc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)c2)n1 ZINC000031776625 847946950 /nfs/dbraw/zinc/94/69/50/847946950.db2.gz XRUDAKRGXWVSOI-UHFFFAOYSA-N 0 0 418.862 4.123 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1OC ZINC000031795069 847951454 /nfs/dbraw/zinc/95/14/54/847951454.db2.gz XZTODZHKTBDTTO-LBPRGKRZSA-N 0 0 415.471 4.445 20 5 HIBDRN Cc1c(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000031881925 847960223 /nfs/dbraw/zinc/96/02/23/847960223.db2.gz ZMFLLHIUFFVPQM-SNVBAGLBSA-N 0 0 420.256 4.282 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000031889944 847961892 /nfs/dbraw/zinc/96/18/92/847961892.db2.gz FUMBXGMPHWIYHV-FQEVSTJZSA-N 0 0 406.479 4.489 20 5 HIBDRN Cc1ccc(Cc2cnc(NC(=O)COc3ccccc3[N+](=O)[O-])s2)cc1F ZINC000031956684 847970853 /nfs/dbraw/zinc/97/08/53/847970853.db2.gz XMVVSYFTSJWLGP-UHFFFAOYSA-N 0 0 401.419 4.107 20 5 HIBDRN O=C(Nc1cccc(Cn2cccn2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000031968722 847973700 /nfs/dbraw/zinc/97/37/00/847973700.db2.gz DUNKJCHMERLSQA-UHFFFAOYSA-N 0 0 405.458 4.082 20 5 HIBDRN CCOc1ccc(C(=O)N(C)Cc2cc(Br)ccc2OC)cc1[N+](=O)[O-] ZINC000032516411 848041700 /nfs/dbraw/zinc/04/17/00/848041700.db2.gz NITOONNIHPNNIV-UHFFFAOYSA-N 0 0 423.263 4.037 20 5 HIBDRN CCOc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1[N+](=O)[O-] ZINC000032516304 848041785 /nfs/dbraw/zinc/04/17/85/848041785.db2.gz IFUZSNLMKLBQPV-UHFFFAOYSA-N 0 0 413.411 4.098 20 5 HIBDRN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000032537871 848043962 /nfs/dbraw/zinc/04/39/62/848043962.db2.gz UJKUCNQFFLIZJT-UHFFFAOYSA-N 0 0 414.421 4.163 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1)c1cnccn1 ZINC000032531744 848044316 /nfs/dbraw/zinc/04/43/16/848044316.db2.gz KCXHETJLQNYWHN-UHFFFAOYSA-N 0 0 403.320 4.400 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000033096260 848107581 /nfs/dbraw/zinc/10/75/81/848107581.db2.gz ITCLDENTPNKAQO-QGZVFWFLSA-N 0 0 422.268 4.453 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(Oc2cnccn2)c1 ZINC000033137586 848113202 /nfs/dbraw/zinc/11/32/02/848113202.db2.gz RBPXWGZZCDEKJK-UHFFFAOYSA-N 0 0 422.444 4.376 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000033194491 848123193 /nfs/dbraw/zinc/12/31/93/848123193.db2.gz VFSSARFUVJHRNV-UHFFFAOYSA-N 0 0 403.803 4.046 20 5 HIBDRN CCOC(=O)c1c(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000033342625 848134478 /nfs/dbraw/zinc/13/44/78/848134478.db2.gz BDSCVESRHATCQE-XFXZXTDPSA-N 0 0 400.456 4.364 20 5 HIBDRN CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000037989396 848175556 /nfs/dbraw/zinc/17/55/56/848175556.db2.gz UUPMGAQBIMOEEX-UHFFFAOYSA-N 0 0 414.224 4.174 20 5 HIBDRN CCC(CC)c1nnc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000039478236 848184010 /nfs/dbraw/zinc/18/40/10/848184010.db2.gz VDCSPLGXDSSFLE-UHFFFAOYSA-N 0 0 403.508 4.205 20 5 HIBDRN Cc1cccc(C(=O)Nc2ccc(I)cc2Cl)c1[N+](=O)[O-] ZINC000041968712 848269173 /nfs/dbraw/zinc/26/91/73/848269173.db2.gz JMEXMTXKDPSFQQ-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN O=C(Nc1nc2c(s1)CCCC2)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000042215848 848302595 /nfs/dbraw/zinc/30/25/95/848302595.db2.gz BTGCELSKTUTMPD-UHFFFAOYSA-N 0 0 401.366 4.124 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000042223539 848304036 /nfs/dbraw/zinc/30/40/36/848304036.db2.gz SJYQBMMTUKAINF-ZDUSSCGKSA-N 0 0 419.865 4.136 20 5 HIBDRN O=C(c1cccs1)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000042393995 848323616 /nfs/dbraw/zinc/32/36/16/848323616.db2.gz CPCOWSPVYWHPKB-UHFFFAOYSA-N 0 0 401.491 4.048 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2nccn2C)cc1 ZINC000042708283 848346265 /nfs/dbraw/zinc/34/62/65/848346265.db2.gz DANHOPFMYLFYCF-CQSZACIVSA-N 0 0 412.471 4.027 20 5 HIBDRN O=C(COc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918628 848365877 /nfs/dbraw/zinc/36/58/77/848365877.db2.gz QDISCFKNMVOKAW-UHFFFAOYSA-N 0 0 406.263 4.233 20 5 HIBDRN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000043005534 848375696 /nfs/dbraw/zinc/37/56/96/848375696.db2.gz SFBCOAFSJPPXAN-UHFFFAOYSA-N 0 0 417.830 4.395 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN(C(=O)c3cccc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000043147574 848391255 /nfs/dbraw/zinc/39/12/55/848391255.db2.gz MQGKFEKRRGNBPD-UHFFFAOYSA-N 0 0 418.453 4.046 20 5 HIBDRN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000043342544 848411393 /nfs/dbraw/zinc/41/13/93/848411393.db2.gz BEHRNQTVINPGBS-CYBMUJFWSA-N 0 0 402.838 4.131 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000043342116 848411659 /nfs/dbraw/zinc/41/16/59/848411659.db2.gz HKPJHUILMLTOHQ-LLVKDONJSA-N 0 0 402.838 4.479 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000043342477 848411670 /nfs/dbraw/zinc/41/16/70/848411670.db2.gz CZNSDTUMWLFHRP-UHFFFAOYSA-N 0 0 403.822 4.081 20 5 HIBDRN CCOc1cc(NC(=O)N(C)Cc2ccccc2OC)c([N+](=O)[O-])cc1OCC ZINC000043838548 848475775 /nfs/dbraw/zinc/47/57/75/848475775.db2.gz OJXZXDMGQGGOJJ-UHFFFAOYSA-N 0 0 403.435 4.065 20 5 HIBDRN Cc1c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cccc1[N+](=O)[O-] ZINC000044333058 848546481 /nfs/dbraw/zinc/54/64/81/848546481.db2.gz AKUSGPCVWGXYBM-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1csc([N+](=O)[O-])c1 ZINC000044413611 848556946 /nfs/dbraw/zinc/55/69/46/848556946.db2.gz RKRVLLQJIPGSPY-UHFFFAOYSA-N 0 0 401.423 4.033 20 5 HIBDRN COc1ccc(C(=O)Nc2ccnn2Cc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000044566923 848571337 /nfs/dbraw/zinc/57/13/37/848571337.db2.gz FHFVCYPGFNOMEK-UHFFFAOYSA-N 0 0 402.410 4.254 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cccc(OC(F)F)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000044580799 848574050 /nfs/dbraw/zinc/57/40/50/848574050.db2.gz JBCFTXIYMBIBPQ-UHFFFAOYSA-N 0 0 416.384 4.310 20 5 HIBDRN Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cccc(C)c3[N+](=O)[O-])c2)cc1 ZINC000044595330 848576049 /nfs/dbraw/zinc/57/60/49/848576049.db2.gz AAKBMFRZAGNRBH-UHFFFAOYSA-N 0 0 417.465 4.072 20 5 HIBDRN CN(Cc1cc(Br)cs1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000044631574 848584137 /nfs/dbraw/zinc/58/41/37/848584137.db2.gz DBRKIXBXRXWFKJ-UHFFFAOYSA-N 0 0 401.307 4.170 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000044634662 848584533 /nfs/dbraw/zinc/58/45/33/848584533.db2.gz NLQALKBLBCJQGR-UHFFFAOYSA-N 0 0 405.410 4.173 20 5 HIBDRN COc1cc([C@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1OC1CCCC1 ZINC000044636029 848585604 /nfs/dbraw/zinc/58/56/04/848585604.db2.gz ARQRRCJEDMJLQG-HNNXBMFYSA-N 0 0 414.458 4.181 20 5 HIBDRN CCC(=O)Nc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 ZINC000044793909 848605001 /nfs/dbraw/zinc/60/50/01/848605001.db2.gz DULUOVAXVZVZBC-UHFFFAOYSA-N 0 0 411.336 4.137 20 5 HIBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000044820675 848607603 /nfs/dbraw/zinc/60/76/03/848607603.db2.gz BQMVWLUNSBGDFN-UHFFFAOYSA-N 0 0 407.495 4.204 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)Nc3c(C)nn(C)c3C)cc2[N+](=O)[O-])n1 ZINC000045000193 848620187 /nfs/dbraw/zinc/62/01/87/848620187.db2.gz PSQRUBWXPWHBTF-UHFFFAOYSA-N 0 0 403.489 4.114 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000045094769 848632722 /nfs/dbraw/zinc/63/27/22/848632722.db2.gz WBDMHDGYLSKHMZ-UHFFFAOYSA-N 0 0 416.441 4.099 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cc(-c2ccccc2)no1 ZINC000045831646 848737733 /nfs/dbraw/zinc/73/77/33/848737733.db2.gz IHSGZGCNWHOFKZ-UHFFFAOYSA-N 0 0 409.445 4.126 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCc3ccc(O)cc3)cc2[N+](=O)[O-])n1 ZINC000045853076 848740551 /nfs/dbraw/zinc/74/05/51/848740551.db2.gz JXWLNDDWTUZTRG-UHFFFAOYSA-N 0 0 401.469 4.147 20 5 HIBDRN Cc1ccc2nc(COc3ccccc3C(=O)NCc3ccccc3[N+](=O)[O-])cn2c1 ZINC000046136233 848789595 /nfs/dbraw/zinc/78/95/95/848789595.db2.gz VSOLKQWIIWSWFT-UHFFFAOYSA-N 0 0 416.437 4.060 20 5 HIBDRN Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046148680 848790161 /nfs/dbraw/zinc/79/01/61/848790161.db2.gz ZGKWRPUHZLQFRP-UHFFFAOYSA-N 0 0 402.248 4.006 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(-c3cnc(C)o3)cc2)cc1[N+](=O)[O-] ZINC000046196869 848800533 /nfs/dbraw/zinc/80/05/33/848800533.db2.gz VHZYUACWABKXPB-UHFFFAOYSA-N 0 0 413.455 4.439 20 5 HIBDRN Cc1cc([C@@H](C)NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)s1 ZINC000046241231 848809848 /nfs/dbraw/zinc/80/98/48/848809848.db2.gz OTZPEAJKZFKDAD-LLVKDONJSA-N 0 0 417.516 4.044 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(Br)cs1 ZINC000046255974 848813024 /nfs/dbraw/zinc/81/30/24/848813024.db2.gz YDTYFFYGSGHOBJ-VIFPVBQESA-N 0 0 401.307 4.216 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2C)cc1OC ZINC000046373087 848835362 /nfs/dbraw/zinc/83/53/62/848835362.db2.gz FDQWTPYBGUUFFA-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN Cc1cccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1[N+](=O)[O-] ZINC000046528682 848867081 /nfs/dbraw/zinc/86/70/81/848867081.db2.gz ACEKOJQKMKKFSR-UHFFFAOYSA-N 0 0 406.394 4.463 20 5 HIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000046568124 848875429 /nfs/dbraw/zinc/87/54/29/848875429.db2.gz VKBMOPSCQFHHAN-HOTGVXAUSA-N 0 0 422.510 4.483 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000046638788 848893781 /nfs/dbraw/zinc/89/37/81/848893781.db2.gz RGWGLLBWVDWTLL-UHFFFAOYSA-N 0 0 409.486 4.232 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccncc1 ZINC000046673429 848905303 /nfs/dbraw/zinc/90/53/03/848905303.db2.gz QGSOANSRXLBNBR-HNNXBMFYSA-N 0 0 407.426 4.068 20 5 HIBDRN CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000046716584 848917739 /nfs/dbraw/zinc/91/77/39/848917739.db2.gz JHOSGPCJFXIVDC-UHFFFAOYSA-N 0 0 407.879 4.117 20 5 HIBDRN CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000046716502 848918124 /nfs/dbraw/zinc/91/81/24/848918124.db2.gz WNEXWLHUZOHJFQ-UHFFFAOYSA-N 0 0 416.865 4.213 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c(C)c1 ZINC000046780425 848933079 /nfs/dbraw/zinc/93/30/79/848933079.db2.gz PHNKNBWBPCABAQ-UHFFFAOYSA-N 0 0 410.470 4.173 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccccc1COCc1ccccc1 ZINC000046778961 848933466 /nfs/dbraw/zinc/93/34/66/848933466.db2.gz BOWPFTWBQIDSKG-UHFFFAOYSA-N 0 0 406.438 4.007 20 5 HIBDRN Cc1ccc(SCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000046836440 848944396 /nfs/dbraw/zinc/94/43/96/848944396.db2.gz CJVIFQOYOUUYLC-UHFFFAOYSA-N 0 0 402.519 4.372 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000047166868 848995830 /nfs/dbraw/zinc/99/58/30/848995830.db2.gz LMZISVSFTGSHJT-UHFFFAOYSA-N 0 0 415.421 4.270 20 5 HIBDRN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2nccc2[N+](=O)[O-])cc1 ZINC000047170020 848996265 /nfs/dbraw/zinc/99/62/65/848996265.db2.gz SRFYQXZYIYJDSS-UHFFFAOYSA-N 0 0 416.821 4.274 20 5 HIBDRN O=[N+]([O-])c1cc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cs1 ZINC000047171770 848997595 /nfs/dbraw/zinc/99/75/95/848997595.db2.gz GXFWXXBEGNVNCG-GFCCVEGCSA-N 0 0 408.530 4.448 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1C(=O)N1CCCC1 ZINC000047225165 849006939 /nfs/dbraw/zinc/00/69/39/849006939.db2.gz IDYWENQWRRAECP-UHFFFAOYSA-N 0 0 419.890 4.215 20 5 HIBDRN O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000047244037 849012505 /nfs/dbraw/zinc/01/25/05/849012505.db2.gz RELFRKGDGPAZMX-UHFFFAOYSA-N 0 0 418.388 4.311 20 5 HIBDRN CCOc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc(Br)c1O ZINC000436777917 861970519 /nfs/dbraw/zinc/97/05/19/861970519.db2.gz PJWABQZJIWLWGF-UHFFFAOYSA-N 0 0 406.192 4.179 20 5 HIBDRN Cc1c(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000047355544 849031518 /nfs/dbraw/zinc/03/15/18/849031518.db2.gz AVNZISLFZGICIC-MRXNPFEDSA-N 0 0 411.439 4.314 20 5 HIBDRN CCn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nnc1-c1cccs1 ZINC000047370174 849033640 /nfs/dbraw/zinc/03/36/40/849033640.db2.gz PTCFCKQVESCUSY-UHFFFAOYSA-N 0 0 414.472 4.277 20 5 HIBDRN Cc1cc2nnc(SCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)n2c2ccccc12 ZINC000047370203 849033766 /nfs/dbraw/zinc/03/37/66/849033766.db2.gz FQLNPCHKLRPHSW-UHFFFAOYSA-N 0 0 418.438 4.441 20 5 HIBDRN Cc1ccc(Br)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047571096 849075387 /nfs/dbraw/zinc/07/53/87/849075387.db2.gz XUXMJXYXYNNBQF-UHFFFAOYSA-N 0 0 419.279 4.020 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ncc(-c2ccccc2)o1 ZINC000047927167 849139727 /nfs/dbraw/zinc/13/97/27/849139727.db2.gz DIWJKSSUBORFEH-UHFFFAOYSA-N 0 0 409.445 4.126 20 5 HIBDRN COc1cc(CCNC(=O)Nc2ccc(OC(C)C)cc2C)c([N+](=O)[O-])cc1OC ZINC000048121347 849171715 /nfs/dbraw/zinc/17/17/15/849171715.db2.gz FETXDIRJRRTFOC-UHFFFAOYSA-N 0 0 417.462 4.072 20 5 HIBDRN COc1ccc(OCCS[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000050250211 849365093 /nfs/dbraw/zinc/36/50/93/849365093.db2.gz ASBKGNTWMKTSRP-LBPRGKRZSA-N 0 0 410.879 4.396 20 5 HIBDRN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050294825 849368252 /nfs/dbraw/zinc/36/82/52/849368252.db2.gz 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HIBDRN Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)co2)cc1 ZINC000109997938 853043374 /nfs/dbraw/zinc/04/33/74/853043374.db2.gz VDDIBMVPBSJTGH-HNNXBMFYSA-N 0 0 411.483 4.398 20 5 HIBDRN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110111266 853060402 /nfs/dbraw/zinc/06/04/02/853060402.db2.gz JEAWCQKOZRUVQK-UHFFFAOYSA-N 0 0 412.405 4.264 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000110483353 853106988 /nfs/dbraw/zinc/10/69/88/853106988.db2.gz SXHURQINESSWLZ-OPAMFIHVSA-N 0 0 417.465 4.230 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000110559847 853118004 /nfs/dbraw/zinc/11/80/04/853118004.db2.gz NYYHWHHXDBTUCK-UHFFFAOYSA-N 0 0 416.478 4.273 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(NC(C)=O)cc2Cl)cc1[N+](=O)[O-] ZINC000110591361 853123802 /nfs/dbraw/zinc/12/38/02/853123802.db2.gz GXVSBDKWLZRKRD-UHFFFAOYSA-N 0 0 423.878 4.087 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(I)c1 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4.289 20 5 HIBDRN CC(C)C(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000138400430 853385106 /nfs/dbraw/zinc/38/51/06/853385106.db2.gz BJZPTYSNFHPABG-LBPRGKRZSA-N 0 0 405.838 4.249 20 5 HIBDRN Cc1sc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1[N+](=O)[O-] ZINC000139403596 853410253 /nfs/dbraw/zinc/41/02/53/853410253.db2.gz PUOKXIXHJMGYMQ-UHFFFAOYSA-N 0 0 419.466 4.142 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000141000765 853459808 /nfs/dbraw/zinc/45/98/08/853459808.db2.gz KLWIYPVEFGQBNX-SNVBAGLBSA-N 0 0 404.835 4.173 20 5 HIBDRN CC(C)c1cccc(C(C)C)c1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000145302843 853549645 /nfs/dbraw/zinc/54/96/45/853549645.db2.gz PTTRRSOFDAALKX-UHFFFAOYSA-N 0 0 404.488 4.497 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c1 ZINC000145827742 853558036 /nfs/dbraw/zinc/55/80/36/853558036.db2.gz WCUJGZDVEGGGDZ-UHFFFAOYSA-N 0 0 402.410 4.479 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)c1 ZINC000146943239 853579048 /nfs/dbraw/zinc/57/90/48/853579048.db2.gz APRZHDCLKLNLFB-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)c1 ZINC000146981882 853580151 /nfs/dbraw/zinc/58/01/51/853580151.db2.gz GLXWHSUXYPZYLO-UHFFFAOYSA-N 0 0 409.398 4.360 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(Br)cc3)CCC2)c1 ZINC000147479096 853588368 /nfs/dbraw/zinc/58/83/68/853588368.db2.gz BXSLSWPPOFQWTC-UHFFFAOYSA-N 0 0 405.248 4.175 20 5 HIBDRN COc1ccccc1N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000147541183 853589604 /nfs/dbraw/zinc/58/96/04/853589604.db2.gz UGEJPWUKXHCPQG-UHFFFAOYSA-N 0 0 404.854 4.047 20 5 HIBDRN C[C@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1cccc([N+](=O)[O-])c1 ZINC000149661257 853628657 /nfs/dbraw/zinc/62/86/57/853628657.db2.gz BDIYNGVGLKAACM-LBPRGKRZSA-N 0 0 403.485 4.422 20 5 HIBDRN O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000195553044 853680557 /nfs/dbraw/zinc/68/05/57/853680557.db2.gz RCGWFIFAEJCDQJ-UHFFFAOYSA-N 0 0 404.831 4.164 20 5 HIBDRN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000437261043 862492585 /nfs/dbraw/zinc/49/25/85/862492585.db2.gz SFRINAVGTNJKSS-UHFFFAOYSA-N 0 0 410.257 4.277 20 5 HIBDRN CSc1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1[N+](=O)[O-] ZINC000195612187 853714231 /nfs/dbraw/zinc/71/42/31/853714231.db2.gz ZRJKCMLJSHLXGT-UHFFFAOYSA-N 0 0 420.918 4.448 20 5 HIBDRN CSc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000195643665 853735214 /nfs/dbraw/zinc/73/52/14/853735214.db2.gz FXSBSXICVDKQIK-UHFFFAOYSA-N 0 0 400.378 4.144 20 5 HIBDRN Cc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc([N+](=O)[O-])c1 ZINC000195691058 853760884 /nfs/dbraw/zinc/76/08/84/853760884.db2.gz ONNHJUIXJLZSFK-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000195691860 853760963 /nfs/dbraw/zinc/76/09/63/853760963.db2.gz NOCZBBLFGODMNW-KRWDZBQOSA-N 0 0 422.268 4.453 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)ccc1OCc1ccncc1 ZINC000195692427 853761810 /nfs/dbraw/zinc/76/18/10/853761810.db2.gz UBZYLQQPAJGAGU-INIZCTEOSA-N 0 0 421.453 4.377 20 5 HIBDRN Cc1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc([N+](=O)[O-])c1 ZINC000195692890 853761921 /nfs/dbraw/zinc/76/19/21/853761921.db2.gz XFSKYYSLESVUHN-UHFFFAOYSA-N 0 0 422.403 4.400 20 5 HIBDRN CSc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1[N+](=O)[O-] ZINC000195708503 853771849 /nfs/dbraw/zinc/77/18/49/853771849.db2.gz CXNIWXQOZBUPIU-UHFFFAOYSA-N 0 0 413.499 4.375 20 5 HIBDRN Cc1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000209665725 853811073 /nfs/dbraw/zinc/81/10/73/853811073.db2.gz TVIWXOKXXNGWIW-WTKPLQERSA-N 0 0 417.347 4.155 20 5 HIBDRN C[C@@H](NC(=O)COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000212300162 853819829 /nfs/dbraw/zinc/81/98/29/853819829.db2.gz ZODCZCCHPGVLCG-TWLAMCEISA-N 0 0 423.252 4.335 20 5 HIBDRN COC(=O)/C=C\c1ccc(NCC2(c3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000213904630 853827858 /nfs/dbraw/zinc/82/78/58/853827858.db2.gz WISNWZQOKLGQEA-OQFOIZHKSA-N 0 0 414.433 4.080 20 5 HIBDRN CCc1ccc(-c2csc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000215652762 853834470 /nfs/dbraw/zinc/83/44/70/853834470.db2.gz YBVMAQLUPBBWPE-CYBMUJFWSA-N 0 0 424.482 4.038 20 5 HIBDRN COC(=O)/C=C\c1ccc(Sc2nc(C3CC3)n(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000215723154 853836752 /nfs/dbraw/zinc/83/67/52/853836752.db2.gz CFQUQCYVCAGOKH-WQLSENKSSA-N 0 0 422.466 4.390 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1C(F)(F)F ZINC000215857335 853838459 /nfs/dbraw/zinc/83/84/59/853838459.db2.gz ULFVIUKYYSZIMX-GOSISDBHSA-N 0 0 413.371 4.238 20 5 HIBDRN C[C@@H](C1CC1)n1nccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215818172 853838729 /nfs/dbraw/zinc/83/87/29/853838729.db2.gz YQIZWKBDTJHLEF-NSHDSACASA-N 0 0 411.384 4.222 20 5 HIBDRN CN(CCc1ccccn1)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000216077306 853843138 /nfs/dbraw/zinc/84/31/38/853843138.db2.gz CDECYMVLIAXUSM-OAQYLSRUSA-N 0 0 424.888 4.498 20 5 HIBDRN Cc1c(C(=O)Oc2ccccc2SC(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000216078931 853844047 /nfs/dbraw/zinc/84/40/47/853844047.db2.gz WGMYWVVICHZTJR-UHFFFAOYSA-N 0 0 424.360 4.315 20 5 HIBDRN COCCSc1ccc([C@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000216841272 853858613 /nfs/dbraw/zinc/85/86/13/853858613.db2.gz PSJBADGYYMVXTA-AWEZNQCLSA-N 0 0 415.515 4.399 20 5 HIBDRN COc1ccc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c([N+](=O)[O-])c1 ZINC000217605940 853862266 /nfs/dbraw/zinc/86/22/66/853862266.db2.gz MQLCXCCWRGFNQT-UHFFFAOYSA-N 0 0 401.400 4.071 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(Cl)cc2I)ccc1[N+](=O)[O-] ZINC000230203094 853894378 /nfs/dbraw/zinc/89/43/78/853894378.db2.gz DVJKKXULOPLDSM-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN O=[N+]([O-])c1ccc(CNc2ccc(CCn3cc(Br)cn3)cc2)cc1 ZINC000236588921 853900804 /nfs/dbraw/zinc/90/08/04/853900804.db2.gz BFRSWUJVSUVLEO-UHFFFAOYSA-N 0 0 401.264 4.409 20 5 HIBDRN CCN(CC)C(=O)c1ccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000236832125 853928083 /nfs/dbraw/zinc/92/80/83/853928083.db2.gz NNFNYWDUSCAGSB-UHFFFAOYSA-N 0 0 424.526 4.490 20 5 HIBDRN CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236888775 853933115 /nfs/dbraw/zinc/93/31/15/853933115.db2.gz FWKRTXSUKIGWBF-NEPJUHHUSA-N 0 0 424.295 4.010 20 5 HIBDRN CCN(CC)C(=O)C1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000237003919 853950433 /nfs/dbraw/zinc/95/04/33/853950433.db2.gz YRBSPDBTUFRUNH-UHFFFAOYSA-N 0 0 416.547 4.379 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000437271622 862516221 /nfs/dbraw/zinc/51/62/21/862516221.db2.gz BHUNXVYGGLWQFL-APPDUMDISA-N 0 0 418.236 4.441 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437274937 862520992 /nfs/dbraw/zinc/52/09/92/862520992.db2.gz OUYPHCHEJVTTDJ-IRXDYDNUSA-N 0 0 412.339 4.403 20 5 HIBDRN COc1ccc(-c2ccc(CNCC(=O)Nc3c(C)cccc3C)o2)c([N+](=O)[O-])c1 ZINC000237424904 854030942 /nfs/dbraw/zinc/03/09/42/854030942.db2.gz RKNQLIKLXYFTEO-UHFFFAOYSA-N 0 0 409.442 4.209 20 5 HIBDRN O=[N+]([O-])c1cc(CNCc2nncn2-c2ccccc2)ccc1Oc1ccc(F)cc1 ZINC000237881863 854113510 /nfs/dbraw/zinc/11/35/10/854113510.db2.gz FBMZYWTVBKXCCK-UHFFFAOYSA-N 0 0 419.416 4.397 20 5 HIBDRN Cc1ccc([C@@H](NCc2csc([N+](=O)[O-])c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237896408 854116698 /nfs/dbraw/zinc/11/66/98/854116698.db2.gz ZVYFCBUWQPIOBY-HXUWFJFHSA-N 0 0 416.524 4.247 20 5 HIBDRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000247413703 854156516 /nfs/dbraw/zinc/15/65/16/854156516.db2.gz PXQDKQOHIZCXOU-OAQYLSRUSA-N 0 0 415.449 4.045 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](c1ccccc1)c1ccncc1 ZINC000247715237 854158902 /nfs/dbraw/zinc/15/89/02/854158902.db2.gz MVOPEYIPNDARTD-SANMLTNESA-N 0 0 419.484 4.456 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@H]43)cc2)c(C)c1[N+](=O)[O-] ZINC000247856919 854164521 /nfs/dbraw/zinc/16/45/21/854164521.db2.gz XZTMABMFBGUOKH-IWMITWMQSA-N 0 0 410.518 4.497 20 5 HIBDRN CCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 ZINC000255933000 854221373 /nfs/dbraw/zinc/22/13/73/854221373.db2.gz ATSLHRVEODWBRG-AWEZNQCLSA-N 0 0 411.487 4.301 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000261415311 854254429 /nfs/dbraw/zinc/25/44/29/854254429.db2.gz MEICFXFPSGSDLN-IBGZPJMESA-N 0 0 409.421 4.195 20 5 HIBDRN CN(Cc1cccc(Cl)c1Cl)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000301055982 854282882 /nfs/dbraw/zinc/28/28/82/854282882.db2.gz IKZIFZNBUYIAJR-UHFFFAOYSA-N 0 0 424.284 4.010 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c2ccncc21 ZINC000301058615 854283794 /nfs/dbraw/zinc/28/37/94/854283794.db2.gz AWQBGMXKAGEKAS-OAQYLSRUSA-N 0 0 412.877 4.282 20 5 HIBDRN Cn1c(CSc2nc3ccccc3s2)nnc1Sc1ncccc1[N+](=O)[O-] ZINC000301067411 854285275 /nfs/dbraw/zinc/28/52/75/854285275.db2.gz DDSMBPCXSLVJHE-UHFFFAOYSA-N 0 0 416.513 4.172 20 5 HIBDRN C[C@@H](c1nnc(Sc2ccc(F)cc2[N+](=O)[O-])n1-c1ccc(F)cc1)N(C)C ZINC000301065579 854285599 /nfs/dbraw/zinc/28/55/99/854285599.db2.gz CIZCCLZIPHOWLJ-NSHDSACASA-N 0 0 405.430 4.228 20 5 HIBDRN O=[N+]([O-])c1cc(F)ccc1Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000301067844 854286314 /nfs/dbraw/zinc/28/63/14/854286314.db2.gz RHXIQXHSOXUMIB-LBPRGKRZSA-N 0 0 406.464 4.384 20 5 HIBDRN O=C(c1ccccc1F)N1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301069936 854286503 /nfs/dbraw/zinc/28/65/03/854286503.db2.gz FIGALHGDAPOBNQ-UHFFFAOYSA-N 0 0 411.355 4.105 20 5 HIBDRN CC(C)NC(=O)c1ccc(NCc2ccc(Br)c(F)c2)c([N+](=O)[O-])c1 ZINC000301102868 854296876 /nfs/dbraw/zinc/29/68/76/854296876.db2.gz OQRNYLGQDDNANL-UHFFFAOYSA-N 0 0 410.243 4.247 20 5 HIBDRN COc1cc(OC)cc([C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)c2nccn2C)c1 ZINC000301106031 854297640 /nfs/dbraw/zinc/29/76/40/854297640.db2.gz VRZPHNJBWBXPRX-NRFANRHFSA-N 0 0 419.441 4.095 20 5 HIBDRN Cc1ccc(Br)cc1NC(=O)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301110873 854299600 /nfs/dbraw/zinc/29/96/00/854299600.db2.gz JTQOCKHNTADHJA-UHFFFAOYSA-N 0 0 423.223 4.015 20 5 HIBDRN NC(=O)C1CCN(c2ccc(Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1 ZINC000301130807 854306622 /nfs/dbraw/zinc/30/66/22/854306622.db2.gz RETDZSHLNCYBIS-UHFFFAOYSA-N 0 0 408.380 4.059 20 5 HIBDRN COc1cc(Br)c(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1OC ZINC000301140991 854309492 /nfs/dbraw/zinc/30/94/92/854309492.db2.gz FPLNAMKQDBNDDT-UHFFFAOYSA-N 0 0 409.236 4.189 20 5 HIBDRN CC(=O)c1c(F)cccc1N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301151931 854313554 /nfs/dbraw/zinc/31/35/54/854313554.db2.gz NQNTXWLBNRGMFA-UHFFFAOYSA-N 0 0 411.355 4.282 20 5 HIBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Sc1ccccc1 ZINC000301159795 854315749 /nfs/dbraw/zinc/31/57/49/854315749.db2.gz AFEOMMJKVNUBGB-UHFFFAOYSA-N 0 0 415.496 4.006 20 5 HIBDRN Cc1ccc(Cl)cc1N1CC[C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301170848 854318701 /nfs/dbraw/zinc/31/87/01/854318701.db2.gz KBEPHZXAWJHKKJ-CYBMUJFWSA-N 0 0 413.865 4.144 20 5 HIBDRN C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 ZINC000301173499 854319672 /nfs/dbraw/zinc/31/96/72/854319672.db2.gz KTXLPJNLPCPGQP-NSHDSACASA-N 0 0 406.236 4.487 20 5 HIBDRN O=C(c1cc(NC[C@@H](O)c2ccc3ccccc3c2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301178031 854320464 /nfs/dbraw/zinc/32/04/64/854320464.db2.gz NSJPPYGHMIHMIO-JOCHJYFZSA-N 0 0 405.454 4.130 20 5 HIBDRN O=c1[nH]cnc2cc(NCC3(c4ccccc4Cl)CCOCC3)c([N+](=O)[O-])cc12 ZINC000301184909 854322902 /nfs/dbraw/zinc/32/29/02/854322902.db2.gz REPADMBFAOKFMR-UHFFFAOYSA-N 0 0 414.849 4.057 20 5 HIBDRN O=C(c1cc(N2CCO[C@H](c3ccccc3Cl)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301199360 854326599 /nfs/dbraw/zinc/32/65/99/854326599.db2.gz OUIBSBSTAJBSJQ-FQEVSTJZSA-N 0 0 415.877 4.062 20 5 HIBDRN COc1ccc(-c2nnc(Sc3ccc(Br)cc3[N+](=O)[O-])n2C)cc1 ZINC000301201079 854326629 /nfs/dbraw/zinc/32/66/29/854326629.db2.gz WNFVRSCERBIBSA-UHFFFAOYSA-N 0 0 421.276 4.313 20 5 HIBDRN NS(=O)(=O)c1cc(NCc2ccccc2Sc2ccccc2)cc([N+](=O)[O-])c1 ZINC000301204850 854327500 /nfs/dbraw/zinc/32/75/00/854327500.db2.gz RZIRETBMVSEPHA-UHFFFAOYSA-N 0 0 415.496 4.006 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CCc2c1cccc2Cl ZINC000301223825 854332998 /nfs/dbraw/zinc/33/29/98/854332998.db2.gz CCYASKCXKJGZLL-CYBMUJFWSA-N 0 0 402.806 4.344 20 5 HIBDRN C[C@H](c1ccc(F)c(F)c1)N(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301237690 854336754 /nfs/dbraw/zinc/33/67/54/854336754.db2.gz DWWHMHUROCILLI-SECBINFHSA-N 0 0 406.357 4.067 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CCSc2ccc(F)cc21 ZINC000301250211 854339396 /nfs/dbraw/zinc/33/93/96/854339396.db2.gz JALPVTCFDUYMDE-LBPRGKRZSA-N 0 0 418.418 4.379 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CCSc2c(F)cccc21 ZINC000301269157 854343898 /nfs/dbraw/zinc/34/38/98/854343898.db2.gz UVRNEQPCZRISBT-LBPRGKRZSA-N 0 0 418.418 4.379 20 5 HIBDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3ccncc3)n2CC(F)(F)F)c(Cl)c1 ZINC000301274996 854346088 /nfs/dbraw/zinc/34/60/88/854346088.db2.gz LSODNVYSKLVAAH-UHFFFAOYSA-N 0 0 416.772 4.010 20 5 HIBDRN Cc1cccc2[nH]cc(CCNc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])c21 ZINC000301292329 854349668 /nfs/dbraw/zinc/34/96/68/854349668.db2.gz XADGDLJSDLEBFT-UHFFFAOYSA-N 0 0 409.414 4.035 20 5 HIBDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000301295702 854350542 /nfs/dbraw/zinc/35/05/42/854350542.db2.gz VPRUIMHQCYHWHY-GFCCVEGCSA-N 0 0 402.252 4.135 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000437299038 862556564 /nfs/dbraw/zinc/55/65/64/862556564.db2.gz PNLWVAUUDZJVOL-RHSMWYFYSA-N 0 0 417.868 4.276 20 5 HIBDRN O=[N+]([O-])c1c(Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)nc2sccn21 ZINC000301321963 854359054 /nfs/dbraw/zinc/35/90/54/854359054.db2.gz UACUVXCVZZGMNT-NDEPHWFRSA-N 0 0 412.496 4.497 20 5 HIBDRN 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ZINC000301961714 854505956 /nfs/dbraw/zinc/50/59/56/854505956.db2.gz RYJCAHNSDDHGQH-HNNXBMFYSA-N 0 0 404.348 4.215 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(N3CCC(OCc4ccc(Cl)c(Cl)c4)CC3)nn21 ZINC000301984596 854509371 /nfs/dbraw/zinc/50/93/71/854509371.db2.gz YTEMMKJYXMXAGW-UHFFFAOYSA-N 0 0 422.272 4.130 20 5 HIBDRN COc1ccccc1[C@H](Nc1cc(C)nc2c1cccc2[N+](=O)[O-])c1nccn1C ZINC000301992098 854511215 /nfs/dbraw/zinc/51/12/15/854511215.db2.gz GIEYMBYURLVHMC-NRFANRHFSA-N 0 0 403.442 4.395 20 5 HIBDRN Cc1cc(NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c2cccc([N+](=O)[O-])c2n1 ZINC000301998267 854513041 /nfs/dbraw/zinc/51/30/41/854513041.db2.gz IFXAEMOWQITQGD-QGZVFWFLSA-N 0 0 415.833 4.022 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CCCOc2c(F)cccc21 ZINC000302020669 854517424 /nfs/dbraw/zinc/51/74/24/854517424.db2.gz DQDTWMIZQJFHHB-CYBMUJFWSA-N 0 0 416.377 4.056 20 5 HIBDRN Cc1ccc(NC(=O)C2CCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)nc1 ZINC000302039100 854520640 /nfs/dbraw/zinc/52/06/40/854520640.db2.gz VVGVESKNJJVUSY-UHFFFAOYSA-N 0 0 405.458 4.010 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000302055176 854523549 /nfs/dbraw/zinc/52/35/49/854523549.db2.gz PUFMOOCMYBQMBE-UHFFFAOYSA-N 0 0 419.201 4.414 20 5 HIBDRN CCN1CC[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302170891 854541572 /nfs/dbraw/zinc/54/15/72/854541572.db2.gz MBKPJTCCOMOHNO-FXAWDEMLSA-N 0 0 407.392 4.462 20 5 HIBDRN O=c1[nH]cnc2cc(NCc3cc4cc(Br)ccc4[nH]3)c([N+](=O)[O-])cc12 ZINC000302197257 854548214 /nfs/dbraw/zinc/54/82/14/854548214.db2.gz FMXHFOOIXVTUKH-UHFFFAOYSA-N 0 0 414.219 4.100 20 5 HIBDRN CNC(=O)c1ccc(N2CCC[C@H]2c2cc(F)cc(Br)c2)c([N+](=O)[O-])c1 ZINC000302195166 854548235 /nfs/dbraw/zinc/54/82/35/854548235.db2.gz DNMNFYWNHVHZLL-HNNXBMFYSA-N 0 0 422.254 4.198 20 5 HIBDRN CCOc1cccc(N2CCO[C@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000302216707 854551739 /nfs/dbraw/zinc/55/17/39/854551739.db2.gz JUUCPETZSGLCNU-KRWDZBQOSA-N 0 0 407.264 4.334 20 5 HIBDRN O=C(c1ccccc1F)N1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302251184 854557320 /nfs/dbraw/zinc/55/73/20/854557320.db2.gz WULQOKCYXIXEOL-UHFFFAOYSA-N 0 0 412.248 4.393 20 5 HIBDRN CCc1cc(NC2CCC(O)(c3cccnc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302280462 854559531 /nfs/dbraw/zinc/55/95/31/854559531.db2.gz UTCRWAKYCGTKNM-UHFFFAOYSA-N 0 0 419.485 4.252 20 5 HIBDRN Cc1cc2c(ncnc2Oc2ccc(I)cc2[N+](=O)[O-])s1 ZINC000302378197 854565489 /nfs/dbraw/zinc/56/54/89/854565489.db2.gz DFJKYMHTPGKXCX-UHFFFAOYSA-N 0 0 413.196 4.305 20 5 HIBDRN CCOc1ccccc1OCCCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000302383461 854566849 /nfs/dbraw/zinc/56/68/49/854566849.db2.gz ZVEYNVOMGJSQCB-UHFFFAOYSA-N 0 0 410.430 4.181 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CCC(C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000302388250 854567694 /nfs/dbraw/zinc/56/76/94/854567694.db2.gz IYXGJFIPQCFHEY-UHFFFAOYSA-N 0 0 406.360 4.174 20 5 HIBDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000302511010 854578086 /nfs/dbraw/zinc/57/80/86/854578086.db2.gz SQLYQJBRBYZLNA-GHMZBOCLSA-N 0 0 415.288 4.000 20 5 HIBDRN CS(=O)(=O)c1ccc(NCC2(c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000302521274 854579414 /nfs/dbraw/zinc/57/94/14/854579414.db2.gz ISWJNYIFTDGSAO-UHFFFAOYSA-N 0 0 414.405 4.161 20 5 HIBDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000302569590 854587043 /nfs/dbraw/zinc/58/70/43/854587043.db2.gz YHLTYLZWMDTRMJ-ZUZCIYMTSA-N 0 0 412.671 4.372 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000302586726 854588335 /nfs/dbraw/zinc/58/83/35/854588335.db2.gz AAPDBAAPEVSRKS-UHFFFAOYSA-N 0 0 415.398 4.161 20 5 HIBDRN Cc1cc(C(F)(F)F)ccc1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000302589625 854588494 /nfs/dbraw/zinc/58/84/94/854588494.db2.gz AQTFHWMRYZUIEK-UHFFFAOYSA-N 0 0 423.391 4.007 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000302646646 854597855 /nfs/dbraw/zinc/59/78/55/854597855.db2.gz MGCZPNAIANXDIW-ZDUSSCGKSA-N 0 0 401.271 4.405 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1ccccc1-n1ccnc1 ZINC000302671748 854601888 /nfs/dbraw/zinc/60/18/88/854601888.db2.gz OADZEXDZHSNTBN-UHFFFAOYSA-N 0 0 407.308 4.320 20 5 HIBDRN Cc1cc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302682921 854602912 /nfs/dbraw/zinc/60/29/12/854602912.db2.gz PSVOTYLLZZGISY-ZDUSSCGKSA-N 0 0 412.328 4.044 20 5 HIBDRN C[C@@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000302701986 854608089 /nfs/dbraw/zinc/60/80/89/854608089.db2.gz XPNJRQHTBVVZPV-ANRSDYALSA-N 0 0 403.288 4.195 20 5 HIBDRN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1ccc([N+](=O)[O-])cc1Br ZINC000302707175 854609119 /nfs/dbraw/zinc/60/91/19/854609119.db2.gz CSOUVNRYKDIKEM-LBPRGKRZSA-N 0 0 402.252 4.135 20 5 HIBDRN Cc1cc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302716569 854611300 /nfs/dbraw/zinc/61/13/00/854611300.db2.gz YMGOSOQXFXJVIJ-ZDUSSCGKSA-N 0 0 412.328 4.043 20 5 HIBDRN Cc1cc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000302727412 854614535 /nfs/dbraw/zinc/61/45/35/854614535.db2.gz STHOSRJVMDUKGZ-UHFFFAOYSA-N 0 0 421.832 4.144 20 5 HIBDRN COC(=O)c1cnc(N2CCC(Sc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000302760481 854623884 /nfs/dbraw/zinc/62/38/84/854623884.db2.gz KAHLYCPRSHZHAV-UHFFFAOYSA-N 0 0 407.879 4.191 20 5 HIBDRN O=C(c1ccc(N2CCCC3(CCCCC3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000302787968 854633862 /nfs/dbraw/zinc/63/38/62/854633862.db2.gz XDUBDCQSPPVEMU-UHFFFAOYSA-N 0 0 401.507 4.008 20 5 HIBDRN COC(=O)c1cnc(N2CC=C(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000302792262 854634678 /nfs/dbraw/zinc/63/46/78/854634678.db2.gz ZJHKERKJLDCUPH-UHFFFAOYSA-N 0 0 407.348 4.089 20 5 HIBDRN O=C(CC1CCCC1)NC1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000302815330 854644728 /nfs/dbraw/zinc/64/47/28/854644728.db2.gz IBXROECQLLIYQU-UHFFFAOYSA-N 0 0 410.312 4.023 20 5 HIBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(O)(c2ccccc2Cl)CC1 ZINC000302825011 854646553 /nfs/dbraw/zinc/64/65/53/854646553.db2.gz GPYACWFAMQCIHW-UHFFFAOYSA-N 0 0 422.840 4.052 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000302897908 854671007 /nfs/dbraw/zinc/67/10/07/854671007.db2.gz QQRNJCUTMNDALN-UHFFFAOYSA-N 0 0 422.890 4.282 20 5 HIBDRN COc1cc([C@H]2NC(=O)c3ccccc3N2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000302914262 854676998 /nfs/dbraw/zinc/67/69/98/854676998.db2.gz SQWNESXZBAPOEZ-QFIPXVFZSA-N 0 0 419.437 4.061 20 5 HIBDRN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cc(Br)ccc1F ZINC000302938561 854687987 /nfs/dbraw/zinc/68/79/87/854687987.db2.gz AMMRIDSJUCWDKW-UHFFFAOYSA-N 0 0 421.226 4.178 20 5 HIBDRN O=C(NC1CC1)c1ccc(NCc2ccnc(OC3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000303085282 854754170 /nfs/dbraw/zinc/75/41/70/854754170.db2.gz GHJSNASEFKLHGJ-UHFFFAOYSA-N 0 0 410.474 4.206 20 5 HIBDRN CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000303100099 854759881 /nfs/dbraw/zinc/75/98/81/854759881.db2.gz KRZQRGUZENDVMB-QGZVFWFLSA-N 0 0 424.501 4.074 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000303128078 854774739 /nfs/dbraw/zinc/77/47/39/854774739.db2.gz JUMDIHRWKMIPQA-CVEARBPZSA-N 0 0 421.563 4.252 20 5 HIBDRN O=C(N[C@@H](c1nccs1)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000303135836 854778753 /nfs/dbraw/zinc/77/87/53/854778753.db2.gz AGSNZQBAJCMRNP-LJQANCHMSA-N 0 0 408.483 4.171 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303226512 854825994 /nfs/dbraw/zinc/82/59/94/854825994.db2.gz WLZDAOGVHSXRTH-CABCVRRESA-N 0 0 420.296 4.354 20 5 HIBDRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000303263088 854841127 /nfs/dbraw/zinc/84/11/27/854841127.db2.gz DKCLHQQJASSISN-JTQLQIEISA-N 0 0 419.894 4.062 20 5 HIBDRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000303305495 854862060 /nfs/dbraw/zinc/86/20/60/854862060.db2.gz NRRSURNXQUXKFJ-UHFFFAOYSA-N 0 0 406.486 4.014 20 5 HIBDRN Cc1ccc(CN(Cc2ccco2)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000303387177 854903382 /nfs/dbraw/zinc/90/33/82/854903382.db2.gz MUWVSRKUMRJKNJ-UHFFFAOYSA-N 0 0 406.485 4.090 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000303428040 854929035 /nfs/dbraw/zinc/92/90/35/854929035.db2.gz BFRVCRUWAGCZQH-CQSZACIVSA-N 0 0 410.449 4.422 20 5 HIBDRN CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000303461383 854961698 /nfs/dbraw/zinc/96/16/98/854961698.db2.gz OIQVFSORWYJEPC-ZDUSSCGKSA-N 0 0 421.375 4.038 20 5 HIBDRN O=C(CCCNC(=O)c1cc2ccccc2c2cccnc12)N1CCc2ccccc21 ZINC000303481810 854974960 /nfs/dbraw/zinc/97/49/60/854974960.db2.gz QANZKKDGZNGJMG-UHFFFAOYSA-N 0 0 409.489 4.487 20 5 HIBDRN O=C(NCCCNC(=O)c1cc2ccccc2c2cccnc12)c1cccc(F)c1 ZINC000303494293 854984061 /nfs/dbraw/zinc/98/40/61/854984061.db2.gz QIHZMXHEUPKLSM-UHFFFAOYSA-N 0 0 401.441 4.077 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000303499057 854987822 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4.255 20 5 HIBDRN Cc1cccc(NC(=O)N2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)c1 ZINC000303756167 855176388 /nfs/dbraw/zinc/17/63/88/855176388.db2.gz NBRAWBZZWLZEHT-UHFFFAOYSA-N 0 0 412.490 4.040 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000303762469 855181787 /nfs/dbraw/zinc/18/17/87/855181787.db2.gz OVXBMGQXTMPENR-QGZVFWFLSA-N 0 0 413.449 4.048 20 5 HIBDRN Cc1ccc(NCCCNC(=O)CCC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000303772524 855188812 /nfs/dbraw/zinc/18/88/12/855188812.db2.gz FOTPVXYZCIPSKG-UHFFFAOYSA-N 0 0 403.866 4.138 20 5 HIBDRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303797561 855203619 /nfs/dbraw/zinc/20/36/19/855203619.db2.gz RRMMWHBMOXXARU-WFASDCNBSA-N 0 0 423.300 4.188 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000437363403 862652372 /nfs/dbraw/zinc/65/23/72/862652372.db2.gz FHXQJUFPEVVQQU-SUMWQHHRSA-N 0 0 418.236 4.441 20 5 HIBDRN CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)s1 ZINC000303811708 855214689 /nfs/dbraw/zinc/21/46/89/855214689.db2.gz CBEUNUSVCOSXGE-AWEZNQCLSA-N 0 0 402.520 4.356 20 5 HIBDRN COc1ccc(OCCSc2nnc(-c3ccco3)n2CC(C)C)c([N+](=O)[O-])c1 ZINC000303835080 855233056 /nfs/dbraw/zinc/23/30/56/855233056.db2.gz ANFPEXMMNFVPLW-UHFFFAOYSA-N 0 0 418.475 4.282 20 5 HIBDRN CCn1c(SCCOc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1 ZINC000303851910 855247829 /nfs/dbraw/zinc/24/78/29/855247829.db2.gz DRWPZLBHHNTASP-UHFFFAOYSA-N 0 0 414.487 4.361 20 5 HIBDRN CC(C)C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000303878202 855265576 /nfs/dbraw/zinc/26/55/76/855265576.db2.gz NRKLVVDNHRJSCR-KRWDZBQOSA-N 0 0 413.865 4.346 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1SC ZINC000303896886 855275598 /nfs/dbraw/zinc/27/55/98/855275598.db2.gz SJFFVRFLMCSLHA-TZMCWYRMSA-N 0 0 404.463 4.483 20 5 HIBDRN COc1ccc(CSCC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000303901246 855277042 /nfs/dbraw/zinc/27/70/42/855277042.db2.gz SRGXDHOIHXVDRE-RHSMWYFYSA-N 0 0 418.490 4.380 20 5 HIBDRN COc1ccc(CSCC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000303901242 855277186 /nfs/dbraw/zinc/27/71/86/855277186.db2.gz SRGXDHOIHXVDRE-PBHICJAKSA-N 0 0 418.490 4.380 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c1C ZINC000303909393 855283657 /nfs/dbraw/zinc/28/36/57/855283657.db2.gz MNLMUGWYEPWACD-UHFFFAOYSA-N 0 0 421.219 4.053 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000467526734 881344733 /nfs/dbraw/zinc/34/47/33/881344733.db2.gz WVAGTBIUXPGWSU-HNNXBMFYSA-N 0 0 416.499 4.068 20 5 HIBDRN O=[N+]([O-])c1cc(CSc2n[nH]c(-c3ccc4c(c3)CCC4)n2)c2c(c1)COCO2 ZINC000303942237 855307735 /nfs/dbraw/zinc/30/77/35/855307735.db2.gz SXLAXWHJPUPUJK-UHFFFAOYSA-N 0 0 410.455 4.027 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000437369851 862665786 /nfs/dbraw/zinc/66/57/86/862665786.db2.gz OYVSIRDDLAGQFO-YLGCSUCGSA-N 0 0 414.767 4.105 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000303989976 855337894 /nfs/dbraw/zinc/33/78/94/855337894.db2.gz IGJUQHLZBWRPPM-INIZCTEOSA-N 0 0 421.453 4.377 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1SC ZINC000437371539 862670194 /nfs/dbraw/zinc/67/01/94/862670194.db2.gz JBQPSLXEIHUYMK-TVQRCGJNSA-N 0 0 412.389 4.029 20 5 HIBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000309798808 855363999 /nfs/dbraw/zinc/36/39/99/855363999.db2.gz QVGILKGELTZSRT-UHFFFAOYSA-N 0 0 400.431 4.125 20 5 HIBDRN Cc1c(C(=O)Nc2cc(I)ccc2Cl)cccc1[N+](=O)[O-] ZINC000313876485 855375010 /nfs/dbraw/zinc/37/50/10/855375010.db2.gz OVCJQJRSXQBNCT-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1ccc(I)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000314379241 855375679 /nfs/dbraw/zinc/37/56/79/855375679.db2.gz NZBRJZRUKBHLRP-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(Br)ccc1Cl ZINC000315716901 855379175 /nfs/dbraw/zinc/37/91/75/855379175.db2.gz MRUNAIQCNXIRAU-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Br)cc1[N+](=O)[O-] ZINC000323001644 855393261 /nfs/dbraw/zinc/39/32/61/855393261.db2.gz DAGWROURQPPQOO-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN COC(=O)c1cccc(COc2c(Br)cccc2[N+](=O)[O-])c1Cl ZINC000381853225 855432756 /nfs/dbraw/zinc/43/27/56/855432756.db2.gz ICVYUIBRQZIKMO-UHFFFAOYSA-N 0 0 400.612 4.376 20 5 HIBDRN C[C@H](NC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000409478064 855501201 /nfs/dbraw/zinc/50/12/01/855501201.db2.gz ZDIFCTCYBHCJLA-FOPRYUNUSA-N 0 0 415.287 4.439 20 5 HIBDRN O=c1ccccn1C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1ccccc1 ZINC000409517866 855520068 /nfs/dbraw/zinc/52/00/68/855520068.db2.gz BLQKGYWBARVJRS-FQEVSTJZSA-N 0 0 412.449 4.672 20 5 HIBDRN COc1ccc([C@H]2C[C@H](Nc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C2)cc1F ZINC000409524636 855523861 /nfs/dbraw/zinc/52/38/61/855523861.db2.gz AZNSEFHZBQZZCJ-JCNLHEQBSA-N 0 0 413.449 4.337 20 5 HIBDRN O=C(NCCc1cccc2[nH]ccc21)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000409665971 855592545 /nfs/dbraw/zinc/59/25/45/855592545.db2.gz NMSHCTUCKYGRML-UHFFFAOYSA-N 0 0 406.364 4.137 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(OCCOc2ccccc2)nc1 ZINC000409680883 855599202 /nfs/dbraw/zinc/59/92/02/855599202.db2.gz YENWTDONYXWBLW-UHFFFAOYSA-N 0 0 422.441 4.078 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@H]2CCCC23CCOCC3)cc1[N+](=O)[O-])c1ccccn1 ZINC000409807425 855663648 /nfs/dbraw/zinc/66/36/48/855663648.db2.gz QXRVYLAUZRHXMH-KKSFZXQISA-N 0 0 424.501 4.242 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)Nc2ccnn2C(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000409849146 855686049 /nfs/dbraw/zinc/68/60/49/855686049.db2.gz SCRZEEQYEAUJQW-AWEZNQCLSA-N 0 0 408.462 4.367 20 5 HIBDRN O=C(CCSCc1ccn(-c2ccc(F)cc2F)n1)Nc1ccccc1[N+](=O)[O-] ZINC000409858248 855691890 /nfs/dbraw/zinc/69/18/90/855691890.db2.gz WFHGPOIVEPUHPV-UHFFFAOYSA-N 0 0 418.425 4.321 20 5 HIBDRN COc1ccc(CNC(=O)c2ccc(COc3ccc(C)cc3C)o2)cc1[N+](=O)[O-] ZINC000409948815 855739817 /nfs/dbraw/zinc/73/98/17/855739817.db2.gz REBUFXVRRLKZGF-UHFFFAOYSA-N 0 0 410.426 4.322 20 5 HIBDRN Cc1c(CNC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)cccc1[N+](=O)[O-] ZINC000409984891 855763250 /nfs/dbraw/zinc/76/32/50/855763250.db2.gz UEIIKZBVEXXHGI-PXNSSMCTSA-N 0 0 415.287 4.186 20 5 HIBDRN CS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000410008581 855776416 /nfs/dbraw/zinc/77/64/16/855776416.db2.gz DBAUWECFJYSZHT-UHFFFAOYSA-N 0 0 423.661 4.211 20 5 HIBDRN CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000410015577 855780284 /nfs/dbraw/zinc/78/02/84/855780284.db2.gz ZSKOTKUGQLBTID-UHFFFAOYSA-N 0 0 409.678 4.376 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c1 ZINC000410030045 855786507 /nfs/dbraw/zinc/78/65/07/855786507.db2.gz NBGGEIQXNHBEDL-UHFFFAOYSA-N 0 0 421.240 4.407 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000410042136 855794266 /nfs/dbraw/zinc/79/42/66/855794266.db2.gz DZSSJYLWFUNVOC-XMMPIXPASA-N 0 0 402.450 4.368 20 5 HIBDRN Cc1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)ccc1NC(=O)c1ccco1 ZINC000410087532 855813254 /nfs/dbraw/zinc/81/32/54/855813254.db2.gz GXQZXEHXDMVDEM-UHFFFAOYSA-N 0 0 404.382 4.482 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccccc2C)C1 ZINC000410150029 855839536 /nfs/dbraw/zinc/83/95/36/855839536.db2.gz ZAHUWHANDAOUJW-WKILWMFISA-N 0 0 400.500 4.318 20 5 HIBDRN COc1ccc(CSCc2nc(-c3ccnc(OC(F)F)c3)no2)cc1[N+](=O)[O-] ZINC000410165230 855846591 /nfs/dbraw/zinc/84/65/91/855846591.db2.gz SBZUDJUQFWWVBG-UHFFFAOYSA-N 0 0 424.385 4.083 20 5 HIBDRN Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC000410178576 855851812 /nfs/dbraw/zinc/85/18/12/855851812.db2.gz JEPVBRNGSOEZJW-LBPRGKRZSA-N 0 0 406.822 4.124 20 5 HIBDRN C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1 ZINC000410214886 855865840 /nfs/dbraw/zinc/86/58/40/855865840.db2.gz MKXRTYGJIZKDSR-GFCCVEGCSA-N 0 0 424.238 4.123 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000410227134 855869902 /nfs/dbraw/zinc/86/99/02/855869902.db2.gz JAHDBWVGXCGUIO-UHFFFAOYSA-N 0 0 411.433 4.046 20 5 HIBDRN O=C(N[C@H]1CCOc2c(Br)cccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000410252842 855882829 /nfs/dbraw/zinc/88/28/29/855882829.db2.gz OEHLRZWYRKBVLO-AWEZNQCLSA-N 0 0 411.639 4.264 20 5 HIBDRN Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000410324806 855929481 /nfs/dbraw/zinc/92/94/81/855929481.db2.gz KAVGKWKYBQLVHY-OAQYLSRUSA-N 0 0 419.485 4.308 20 5 HIBDRN COc1cc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] ZINC000410417826 855987193 /nfs/dbraw/zinc/98/71/93/855987193.db2.gz LTLMEDBQRMBSRF-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN Cc1cccc(-c2cncc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)c2)c1 ZINC000425915084 855997079 /nfs/dbraw/zinc/99/70/79/855997079.db2.gz COFBYZZBICXZSB-UHFFFAOYSA-N 0 0 400.398 4.003 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000425973764 856024226 /nfs/dbraw/zinc/02/42/26/856024226.db2.gz ACHGIMHPYIDNCV-INIZCTEOSA-N 0 0 424.501 4.454 20 5 HIBDRN Cc1ccc(-c2cccc(CNC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2)cc1 ZINC000426039510 856065364 /nfs/dbraw/zinc/06/53/64/856065364.db2.gz NCJDKNYWJVVNSP-UHFFFAOYSA-N 0 0 419.485 4.313 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000426197528 856170585 /nfs/dbraw/zinc/17/05/85/856170585.db2.gz CVUCCHKGLVFZQU-QAPCUYQASA-N 0 0 423.391 4.191 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000426204562 856174893 /nfs/dbraw/zinc/17/48/93/856174893.db2.gz QJUSLABKTAOYNB-SJLPKXTDSA-N 0 0 423.391 4.333 20 5 HIBDRN O=C(NCc1ccccc1OC(F)(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426228525 856189923 /nfs/dbraw/zinc/18/99/23/856189923.db2.gz RWAVQGWHQTUTBD-UHFFFAOYSA-N 0 0 409.364 4.368 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ZINC000426279699 856217776 /nfs/dbraw/zinc/21/77/76/856217776.db2.gz ZDKAJNYSJBUCAU-AWEZNQCLSA-N 0 0 421.379 4.440 20 5 HIBDRN CCC[C@]1(COC)CCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426282444 856219957 /nfs/dbraw/zinc/21/99/57/856219957.db2.gz SJCQXWJMEWSVTL-QGZVFWFLSA-N 0 0 403.401 4.104 20 5 HIBDRN CC(C)COC[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000426297171 856228280 /nfs/dbraw/zinc/22/82/80/856228280.db2.gz XMSLQQGVPNOXHN-LJQANCHMSA-N 0 0 401.463 4.276 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CCC(OC[C@@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000426381360 856266716 /nfs/dbraw/zinc/26/67/16/856266716.db2.gz YLFFJXAXMGQGST-NRFANRHFSA-N 0 0 424.497 4.380 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)[C@H]3OCCc4sccc43)n2)c1 ZINC000426404916 856276855 /nfs/dbraw/zinc/27/68/55/856276855.db2.gz KPEGJMLGPYJXCG-BBATYDOGSA-N 0 0 401.444 4.056 20 5 HIBDRN COCCN(CC(F)(F)F)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000426438438 856290473 /nfs/dbraw/zinc/29/04/73/856290473.db2.gz DJTDQDFMBMWUHN-UHFFFAOYSA-N 0 0 414.405 4.397 20 5 HIBDRN CS[C@@H]1C(=O)Nc2ccc(-c3noc(C(C)(C)c4ccccc4[N+](=O)[O-])n3)cc21 ZINC000426454154 856298528 /nfs/dbraw/zinc/29/85/28/856298528.db2.gz MSBAIDQEPSWNHV-INIZCTEOSA-N 0 0 410.455 4.327 20 5 HIBDRN COC[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000426506409 856323848 /nfs/dbraw/zinc/32/38/48/856323848.db2.gz FSYFOPXCNNEHCY-GOSISDBHSA-N 0 0 411.845 4.428 20 5 HIBDRN CCOc1cc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC ZINC000437415679 862782912 /nfs/dbraw/zinc/78/29/12/862782912.db2.gz ZGEDQQKYYYJHNG-CTYIDZIISA-N 0 0 404.850 4.332 20 5 HIBDRN CC(C)(C)Oc1ccc(-c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)nc1 ZINC000426564218 856351251 /nfs/dbraw/zinc/35/12/51/856351251.db2.gz CBPBHXFXXPYHOF-UHFFFAOYSA-N 0 0 406.402 4.070 20 5 HIBDRN COC[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000426586426 856360577 /nfs/dbraw/zinc/36/05/77/856360577.db2.gz CDXMOMWVRJTZBF-SFHVURJKSA-N 0 0 403.866 4.310 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+]C[C@]3(CC(=O)[O-])CC[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000426630904 856383311 /nfs/dbraw/zinc/38/33/11/856383311.db2.gz WERQNRXLRUACOC-LHSJRXKWSA-N 0 0 402.447 4.234 20 5 HIBDRN CSCC[C@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426712101 856428289 /nfs/dbraw/zinc/42/82/89/856428289.db2.gz UNXNAJJOXGOFJR-AWEZNQCLSA-N 0 0 410.879 4.336 20 5 HIBDRN O=C([O-])[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426762361 856463483 /nfs/dbraw/zinc/46/34/83/856463483.db2.gz JOYUYWFJWRHCMM-KRWDZBQOSA-N 0 0 418.808 4.433 20 5 HIBDRN O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426770360 856469215 /nfs/dbraw/zinc/46/92/15/856469215.db2.gz RBLVCYOJNAKNBP-LJQANCHMSA-N 0 0 423.400 4.261 20 5 HIBDRN Cc1cc(Oc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000426771557 856469370 /nfs/dbraw/zinc/46/93/70/856469370.db2.gz DDLZTWMFBUGJOD-GFCCVEGCSA-N 0 0 416.821 4.478 20 5 HIBDRN Cc1ccc(COc2ccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C(=O)[O-])cc2)cc1 ZINC000426805862 856489339 /nfs/dbraw/zinc/48/93/39/856489339.db2.gz GNQKDTKTKUJYLO-QFIPXVFZSA-N 0 0 420.465 4.268 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000426892521 856529507 /nfs/dbraw/zinc/52/95/07/856529507.db2.gz YFJYWFWIXUEFDM-SFHVURJKSA-N 0 0 402.450 4.096 20 5 HIBDRN O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426974976 856572825 /nfs/dbraw/zinc/57/28/25/856572825.db2.gz PFXRBZZBKYFNEZ-FGZHOGPDSA-N 0 0 409.486 4.407 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000426990039 856582220 /nfs/dbraw/zinc/58/22/20/856582220.db2.gz FYMXAUJTLAVFLF-HNNXBMFYSA-N 0 0 414.405 4.497 20 5 HIBDRN COC1CCC(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 ZINC000427035275 856606054 /nfs/dbraw/zinc/60/60/54/856606054.db2.gz SHMYBQLUJWJGCX-UHFFFAOYSA-N 0 0 421.544 4.446 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1F ZINC000437451592 862817426 /nfs/dbraw/zinc/81/74/26/862817426.db2.gz UIODBASNMINHCF-UHFFFAOYSA-N 0 0 421.428 4.210 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1C ZINC000427109346 856644072 /nfs/dbraw/zinc/64/40/72/856644072.db2.gz GZLJSBCBXUGWJH-UHFFFAOYSA-N 0 0 421.457 4.149 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)n1 ZINC000427122631 856652202 /nfs/dbraw/zinc/65/22/02/856652202.db2.gz DGLPPJANXYBPDW-UHFFFAOYSA-N 0 0 414.425 4.326 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)n1 ZINC000427129057 856658120 /nfs/dbraw/zinc/65/81/20/856658120.db2.gz SRTKJRLCTIPGQF-UHFFFAOYSA-N 0 0 409.427 4.466 20 5 HIBDRN Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)c2)n1 ZINC000427138830 856663369 /nfs/dbraw/zinc/66/33/69/856663369.db2.gz ZFVKOPZHUVBKMQ-UHFFFAOYSA-N 0 0 407.474 4.401 20 5 HIBDRN COc1cc(CN(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])ccc1O ZINC000427175166 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HIBDRN CCn1c2ccccc2nc1SCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427588086 856879683 /nfs/dbraw/zinc/87/96/83/856879683.db2.gz MLMYNLFSIATDTL-UHFFFAOYSA-N 0 0 410.499 4.248 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 ZINC000427602350 856884020 /nfs/dbraw/zinc/88/40/20/856884020.db2.gz FPNGUTOYGRNDGP-UHFFFAOYSA-N 0 0 421.438 4.165 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)ccc1Sc1nccn1C ZINC000427604037 856884979 /nfs/dbraw/zinc/88/49/79/856884979.db2.gz NCAVFBGNGUBTDD-UHFFFAOYSA-N 0 0 418.862 4.394 20 5 HIBDRN COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1Br ZINC000427757902 856940979 /nfs/dbraw/zinc/94/09/79/856940979.db2.gz ZCRNDJITGJTSTQ-UHFFFAOYSA-N 0 0 413.611 4.050 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1 ZINC000427791086 856955587 /nfs/dbraw/zinc/95/55/87/856955587.db2.gz VVVDSTVMAIEBAL-UHFFFAOYSA-N 0 0 409.467 4.010 20 5 HIBDRN CSc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000437500136 862855241 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4.263 20 5 HIBDRN COc1ccc(OCCOc2cc(Br)ccc2C(C)=O)c([N+](=O)[O-])c1 ZINC000428035681 857051496 /nfs/dbraw/zinc/05/14/96/857051496.db2.gz PZNTVWUDFQOOMD-UHFFFAOYSA-N 0 0 410.220 4.026 20 5 HIBDRN CC(=O)N(c1nc(COc2ccc([N+](=O)[O-])c(CO)c2)cs1)c1ccc(C)cc1 ZINC000428087038 857067214 /nfs/dbraw/zinc/06/72/14/857067214.db2.gz FEAKTLGAMHIWHD-UHFFFAOYSA-N 0 0 413.455 4.116 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC[C@@H](OCC3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000428106178 857073065 /nfs/dbraw/zinc/07/30/65/857073065.db2.gz CEYWNBAYHKZATI-QFBILLFUSA-N 0 0 424.501 4.194 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[C@H](OCC2CC2)C1 ZINC000428123290 857080050 /nfs/dbraw/zinc/08/00/50/857080050.db2.gz VXICSVINPJCPAG-FQEVSTJZSA-N 0 0 409.486 4.238 20 5 HIBDRN COc1cc(OC)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Br ZINC000428127774 857081881 /nfs/dbraw/zinc/08/18/81/857081881.db2.gz YGZKSJMLYUCAGH-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN COc1ccc(NC(=O)c2cc(Br)c(Cl)cc2OC)cc1[N+](=O)[O-] ZINC000428163269 857092790 /nfs/dbraw/zinc/09/27/90/857092790.db2.gz UEIBNLQFUATXAH-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)Cc3cc(C)ccc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000428220238 857116169 /nfs/dbraw/zinc/11/61/69/857116169.db2.gz NUAYXWVSBMNRSI-UHFFFAOYSA-N 0 0 406.486 4.345 20 5 HIBDRN COc1ccc(NC(=O)c2cc(Br)c(Cl)cc2OC)c([N+](=O)[O-])c1 ZINC000428323488 857153716 /nfs/dbraw/zinc/15/37/16/857153716.db2.gz JMHFEQURJYFUNX-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000428362976 857173662 /nfs/dbraw/zinc/17/36/62/857173662.db2.gz XRGSZPMPCZNOHT-OTYXRUKQSA-N 0 0 414.293 4.011 20 5 HIBDRN CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000428501842 857229447 /nfs/dbraw/zinc/22/94/47/857229447.db2.gz YFEBIUUSHYIYBH-INIZCTEOSA-N 0 0 414.405 4.131 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc(-c2ccccc2)c(C)c1 ZINC000428563999 857266881 /nfs/dbraw/zinc/26/68/81/857266881.db2.gz WVFGXQRZPRWOFK-FQEVSTJZSA-N 0 0 421.501 4.119 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000428607474 857277362 /nfs/dbraw/zinc/27/73/62/857277362.db2.gz PNBAQKCITGVRFL-GFCCVEGCSA-N 0 0 415.833 4.397 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H]2CCO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000428613972 857278518 /nfs/dbraw/zinc/27/85/18/857278518.db2.gz VJFALUANSSAFOT-HNNXBMFYSA-N 0 0 420.849 4.036 20 5 HIBDRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000428769219 857327379 /nfs/dbraw/zinc/32/73/79/857327379.db2.gz CFDRHMBALKVPQK-SCLBCKFNSA-N 0 0 423.391 4.014 20 5 HIBDRN CC(C)(C)C(=O)c1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000428871368 857379749 /nfs/dbraw/zinc/37/97/49/857379749.db2.gz KCMRBRHEDBWDIQ-UHFFFAOYSA-N 0 0 410.474 4.178 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000428884701 857388790 /nfs/dbraw/zinc/38/87/90/857388790.db2.gz HWZOKOPGCIVUNT-IRXDYDNUSA-N 0 0 412.490 4.179 20 5 HIBDRN COC[C@@H](C)Nc1ccccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000437590889 862906167 /nfs/dbraw/zinc/90/61/67/862906167.db2.gz NLROJDXELQDYQI-LLVKDONJSA-N 0 0 408.252 4.056 20 5 HIBDRN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000429037814 857469197 /nfs/dbraw/zinc/46/91/97/857469197.db2.gz ABLUNPFFCMVCTB-ROUUACIJSA-N 0 0 423.391 4.368 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cnc(OCc2ccccc2)cn1 ZINC000429080620 857499376 /nfs/dbraw/zinc/49/93/76/857499376.db2.gz RNXBQTXUQMDBFE-UHFFFAOYSA-N 0 0 418.331 4.235 20 5 HIBDRN CCCc1c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC000429280354 857588629 /nfs/dbraw/zinc/58/86/29/857588629.db2.gz PHYKTZDZMYGRHS-UHFFFAOYSA-N 0 0 422.441 4.080 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN(CCc3ccccc3)Cc3cccnc3)n2)c1 ZINC000429285317 857590392 /nfs/dbraw/zinc/59/03/92/857590392.db2.gz GPFRTRNNILYRLZ-UHFFFAOYSA-N 0 0 415.453 4.285 20 5 HIBDRN COC[C@@H](C)Nc1ccccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437620180 862938131 /nfs/dbraw/zinc/93/81/31/862938131.db2.gz LKOIUSYMCGYDQO-GFCCVEGCSA-N 0 0 409.895 4.426 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc3c(cc2Cl)CCC3=O)cc1SC ZINC000429502099 857700463 /nfs/dbraw/zinc/70/04/63/857700463.db2.gz JKMCBNAZBJOMKH-UHFFFAOYSA-N 0 0 406.847 4.360 20 5 HIBDRN O=C(Nc1ccc(OC2CCCC2)nc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429788317 857884866 /nfs/dbraw/zinc/88/48/66/857884866.db2.gz QBHHWOSNWORKIA-UHFFFAOYSA-N 0 0 406.236 4.326 20 5 HIBDRN CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429794830 857887570 /nfs/dbraw/zinc/88/75/70/857887570.db2.gz JQBZBWRYXVPQFJ-HNNXBMFYSA-N 0 0 405.248 4.173 20 5 HIBDRN Cc1c(NCc2nc(Cc3cccc(F)c3)no2)cc(Br)cc1[N+](=O)[O-] ZINC000429798624 857888755 /nfs/dbraw/zinc/88/87/55/857888755.db2.gz JRWHJNBSPFFNHK-UHFFFAOYSA-N 0 0 421.226 4.391 20 5 HIBDRN COc1cccc(C(NCc2ccc([N+](=O)[O-])cc2OC)c2cccc(OC)c2)c1 ZINC000429801186 857889605 /nfs/dbraw/zinc/88/96/05/857889605.db2.gz LKGQOMQYOIVYMW-UHFFFAOYSA-N 0 0 408.454 4.500 20 5 HIBDRN O=C(Nc1nnc(-c2ccsc2)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429818004 857896170 /nfs/dbraw/zinc/89/61/70/857896170.db2.gz BNEKXIURONYUSW-UHFFFAOYSA-N 0 0 411.262 4.190 20 5 HIBDRN CCOc1c(Cl)cc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000429829102 857900897 /nfs/dbraw/zinc/90/08/97/857900897.db2.gz KXSSSDICCJLNCA-UHFFFAOYSA-N 0 0 406.866 4.250 20 5 HIBDRN COc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1OCc1ccncc1 ZINC000429841824 857906710 /nfs/dbraw/zinc/90/67/10/857906710.db2.gz XSVFATQMEHWXKQ-UHFFFAOYSA-N 0 0 421.453 4.494 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000429844264 857907245 /nfs/dbraw/zinc/90/72/45/857907245.db2.gz IEDBPCBGEICPOR-NSHDSACASA-N 0 0 420.263 4.138 20 5 HIBDRN O=C(Nc1ccc(-c2csnn2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429863689 857916780 /nfs/dbraw/zinc/91/67/80/857916780.db2.gz UHFKRZSUMKQYJX-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN CSc1cnn(-c2ccccc2)c1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000429880077 857925336 /nfs/dbraw/zinc/92/53/36/857925336.db2.gz AAPGNIINYUNXTB-UHFFFAOYSA-N 0 0 400.485 4.477 20 5 HIBDRN CCOc1ccc(OCC)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000429925775 857951719 /nfs/dbraw/zinc/95/17/19/857951719.db2.gz NQWMQYPYMLNUBL-UHFFFAOYSA-N 0 0 409.236 4.407 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429942111 857960979 /nfs/dbraw/zinc/96/09/79/857960979.db2.gz JSVYXAYRJJTVII-SFHVURJKSA-N 0 0 412.243 4.272 20 5 HIBDRN O=C(NCc1ccccc1C(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429953229 857966837 /nfs/dbraw/zinc/96/68/37/857966837.db2.gz YPUCHXQYGUUJMH-UHFFFAOYSA-N 0 0 403.154 4.306 20 5 HIBDRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)nn1-c1ccc(Br)cc1 ZINC000429956744 857969657 /nfs/dbraw/zinc/96/96/57/857969657.db2.gz BXYMNEWQZAVLHV-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2F)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429961823 857970907 /nfs/dbraw/zinc/97/09/07/857970907.db2.gz LXVQIYDXWWMYQC-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN C[C@@H]1CC[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000429961661 857971609 /nfs/dbraw/zinc/97/16/09/857971609.db2.gz AAQXRIWGCALEFK-OLZOCXBDSA-N 0 0 419.528 4.393 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CN(Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430253634 858097640 /nfs/dbraw/zinc/09/76/40/858097640.db2.gz FKZXQTUJZJZMEW-UHFFFAOYSA-N 0 0 400.866 4.193 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000430334490 858125378 /nfs/dbraw/zinc/12/53/78/858125378.db2.gz DOQNGMUGENSPIR-UHFFFAOYSA-N 0 0 420.347 4.125 20 5 HIBDRN Cc1c(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000430352387 858131067 /nfs/dbraw/zinc/13/10/67/858131067.db2.gz LVXQYONENGLMMB-UHFFFAOYSA-N 0 0 420.263 4.366 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2CCC2CCCC2)cc1OC ZINC000430360554 858132953 /nfs/dbraw/zinc/13/29/53/858132953.db2.gz AVCRSKDTVUYGLY-QGZVFWFLSA-N 0 0 420.506 4.204 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CC[C@H](C)[S@@](=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000430362690 858133789 /nfs/dbraw/zinc/13/37/89/858133789.db2.gz FUCYBVQXDJQJQF-HBIPHATFSA-N 0 0 418.540 4.038 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CC[C@H](C)[S@](=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000430362925 858134016 /nfs/dbraw/zinc/13/40/16/858134016.db2.gz FUCYBVQXDJQJQF-OHZJNBGDSA-N 0 0 418.540 4.038 20 5 HIBDRN CCc1ccc2c(c1)[C@H](CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)N2 ZINC000437653294 862988853 /nfs/dbraw/zinc/98/88/53/862988853.db2.gz UPNHGMGAJHXOAE-HNNXBMFYSA-N 0 0 421.375 4.032 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000430464309 858179063 /nfs/dbraw/zinc/17/90/63/858179063.db2.gz UVCOXZKPAPCANW-UHFFFAOYSA-N 0 0 403.649 4.293 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N(C)c2cccnc2N(C)C)cc1[N+](=O)[O-] ZINC000430465673 858179165 /nfs/dbraw/zinc/17/91/65/858179165.db2.gz QEXUXFGQGAQCMD-UHFFFAOYSA-N 0 0 402.520 4.471 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000430524249 858206963 /nfs/dbraw/zinc/20/69/63/858206963.db2.gz KGPYHBXRDBJAGQ-WNYOCNMUSA-N 0 0 424.497 4.472 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000430524243 858206975 /nfs/dbraw/zinc/20/69/75/858206975.db2.gz KGPYHBXRDBJAGQ-ADLFWFRXSA-N 0 0 424.497 4.472 20 5 HIBDRN C[C@H](Oc1ccc(Br)cc1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000430538073 858210675 /nfs/dbraw/zinc/21/06/75/858210675.db2.gz MOGYYZNREGYWRY-LBPRGKRZSA-N 0 0 407.264 4.176 20 5 HIBDRN CC(C)(NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000430546586 858214509 /nfs/dbraw/zinc/21/45/09/858214509.db2.gz DFWDPUBXKBCZCM-UHFFFAOYSA-N 0 0 408.433 4.073 20 5 HIBDRN CC(C)(NC(=O)CCCc1nc(-c2cccs2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000430555626 858217056 /nfs/dbraw/zinc/21/70/56/858217056.db2.gz PCDRVFAXROWWOS-UHFFFAOYSA-N 0 0 400.460 4.081 20 5 HIBDRN COc1ccc([C@H](C)CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000430601758 858233575 /nfs/dbraw/zinc/23/35/75/858233575.db2.gz KCELCTVGOBKAHA-GFCCVEGCSA-N 0 0 407.264 4.290 20 5 HIBDRN Cc1nc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1Br ZINC000430602903 858233668 /nfs/dbraw/zinc/23/36/68/858233668.db2.gz XBTLJCSKMPCISM-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCSC[C@@H]1c1ccccc1 ZINC000430601300 858233884 /nfs/dbraw/zinc/23/38/84/858233884.db2.gz JIAMPYMWUVESOU-MRXNPFEDSA-N 0 0 407.289 4.288 20 5 HIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430614607 858237011 /nfs/dbraw/zinc/23/70/11/858237011.db2.gz ZJNBLQISXMVBCL-LBPRGKRZSA-N 0 0 407.264 4.069 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430628032 858241071 /nfs/dbraw/zinc/24/10/71/858241071.db2.gz NAMOGVZRMHIZEP-ZWNOBZJWSA-N 0 0 413.630 4.436 20 5 HIBDRN Cc1cc(-c2ncccc2NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000437660956 863001976 /nfs/dbraw/zinc/00/19/76/863001976.db2.gz VTSXQHGPAQYNFG-UHFFFAOYSA-N 0 0 403.485 4.011 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000430800135 858309532 /nfs/dbraw/zinc/30/95/32/858309532.db2.gz PBSCLGNIHZLJPP-UHFFFAOYSA-N 0 0 420.347 4.125 20 5 HIBDRN CCc1nc2ccccc2n1C1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000430806317 858311152 /nfs/dbraw/zinc/31/11/52/858311152.db2.gz COLJASIPHUWHBW-UHFFFAOYSA-N 0 0 422.485 4.058 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)ccc1[N+](=O)[O-] ZINC000430812753 858313167 /nfs/dbraw/zinc/31/31/67/858313167.db2.gz FMNAGJAWHHRZJK-HNNXBMFYSA-N 0 0 415.515 4.024 20 5 HIBDRN Cc1cc(OCC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000430817168 858314737 /nfs/dbraw/zinc/31/47/37/858314737.db2.gz QLPNESNOHDRQPL-HNNXBMFYSA-N 0 0 400.328 4.231 20 5 HIBDRN COc1cc(C)c(Br)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430816453 858314926 /nfs/dbraw/zinc/31/49/26/858314926.db2.gz MMHCCQGNSQCCDX-UHFFFAOYSA-N 0 0 409.236 4.000 20 5 HIBDRN COc1ccc(OC(C)C)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000430925137 858371341 /nfs/dbraw/zinc/37/13/41/858371341.db2.gz KOPVFWLSJDKHSG-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430929090 858373571 /nfs/dbraw/zinc/37/35/71/858373571.db2.gz VWFHZAGBGQKHHA-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN CC(C)(C)c1csc(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000430948304 858379175 /nfs/dbraw/zinc/37/91/75/858379175.db2.gz IEZXJEJMJIQQEA-UHFFFAOYSA-N 0 0 412.309 4.084 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431109767 858450376 /nfs/dbraw/zinc/45/03/76/858450376.db2.gz XIZIIXOSDQHQFR-NSHDSACASA-N 0 0 401.810 4.489 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc([N+](=O)[O-])cc1F ZINC000431167402 858483413 /nfs/dbraw/zinc/48/34/13/858483413.db2.gz LVZJNYCMBJBKMR-SUMWQHHRSA-N 0 0 421.266 4.446 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000431177027 858487841 /nfs/dbraw/zinc/48/78/41/858487841.db2.gz WMADTTNOTICZOT-UHFFFAOYSA-N 0 0 410.474 4.163 20 5 HIBDRN Cc1c(NC(=O)COC/C=C/c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000431179291 858490330 /nfs/dbraw/zinc/49/03/30/858490330.db2.gz CFSLILKXKNEZRO-VMPITWQZSA-N 0 0 405.248 4.334 20 5 HIBDRN COc1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000431198139 858499677 /nfs/dbraw/zinc/49/96/77/858499677.db2.gz NGOMIWNLYKUJMW-UHFFFAOYSA-N 0 0 408.252 4.423 20 5 HIBDRN C[C@@H](c1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1)N1CCOCC1 ZINC000431217337 858511201 /nfs/dbraw/zinc/51/12/01/858511201.db2.gz RLYZANPOOJUOTK-INIZCTEOSA-N 0 0 412.490 4.045 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])N[C@@H](c1ccccc1)C1CC1 ZINC000431229683 858518766 /nfs/dbraw/zinc/51/87/66/858518766.db2.gz FTEAHYRYEBFEQO-KRWDZBQOSA-N 0 0 405.248 4.004 20 5 HIBDRN CCOCCOc1ccccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431240497 858525061 /nfs/dbraw/zinc/52/50/61/858525061.db2.gz VUJVBZQOTBSHKD-UHFFFAOYSA-N 0 0 423.263 4.333 20 5 HIBDRN Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431249532 858530654 /nfs/dbraw/zinc/53/06/54/858530654.db2.gz TUIZQVAIXPCGHS-LLVKDONJSA-N 0 0 410.293 4.489 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCc1ccccn1)Cc1cccnc1 ZINC000431299129 858552997 /nfs/dbraw/zinc/55/29/97/858552997.db2.gz WANPZCNWBUMPFY-KRWDZBQOSA-N 0 0 422.510 4.137 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N(CCc1ccccn1)Cc1cccnc1 ZINC000431313199 858558420 /nfs/dbraw/zinc/55/84/20/858558420.db2.gz LGEPHRXDZPEYLA-UHFFFAOYSA-N 0 0 402.410 4.016 20 5 HIBDRN Cc1cccc(NC2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000431327617 858567051 /nfs/dbraw/zinc/56/70/51/858567051.db2.gz IHZZXRRQHONERF-UHFFFAOYSA-N 0 0 418.291 4.382 20 5 HIBDRN Cc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)NC(C)(C)C ZINC000431420765 858606679 /nfs/dbraw/zinc/60/66/79/858606679.db2.gz UNZAODVTDDDCSE-UHFFFAOYSA-N 0 0 412.490 4.488 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000431438739 858614692 /nfs/dbraw/zinc/61/46/92/858614692.db2.gz NTOSRFNBGDDDFW-UHFFFAOYSA-N 0 0 409.446 4.131 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3C)CC2)ccc1[N+](=O)[O-] ZINC000431440293 858616458 /nfs/dbraw/zinc/61/64/58/858616458.db2.gz ZWCAVEAUIROJHB-UHFFFAOYSA-N 0 0 418.881 4.309 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1OC ZINC000431452647 858623480 /nfs/dbraw/zinc/62/34/80/858623480.db2.gz XMOWADYSSFCWRE-LLVKDONJSA-N 0 0 423.263 4.256 20 5 HIBDRN COC(=O)c1cc2cc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)ccc2o1 ZINC000431455121 858626056 /nfs/dbraw/zinc/62/60/56/858626056.db2.gz HKXVAGCFDRBABY-UHFFFAOYSA-N 0 0 419.187 4.142 20 5 HIBDRN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431477205 858636335 /nfs/dbraw/zinc/63/63/35/858636335.db2.gz LHYCKDHXXAYWHG-KOLCDFICSA-N 0 0 409.202 4.456 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000431484451 858638774 /nfs/dbraw/zinc/63/87/74/858638774.db2.gz MDJFOBJTXYCHPX-BMIGLBTASA-N 0 0 411.277 4.021 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431483052 858639019 /nfs/dbraw/zinc/63/90/19/858639019.db2.gz OBKGKWLCVYKIQF-QZTJIDSGSA-N 0 0 419.275 4.316 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000437716111 863047532 /nfs/dbraw/zinc/04/75/32/863047532.db2.gz LWNNBWVIFGOOPQ-IBGZPJMESA-N 0 0 404.417 4.174 20 5 HIBDRN COCCCOc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431509258 858649921 /nfs/dbraw/zinc/64/99/21/858649921.db2.gz NVANTBPXAJGILE-UHFFFAOYSA-N 0 0 409.236 4.025 20 5 HIBDRN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC000431513985 858651673 /nfs/dbraw/zinc/65/16/73/858651673.db2.gz XAUBOFYRTIMKDG-LBPRGKRZSA-N 0 0 415.247 4.034 20 5 HIBDRN CCc1ccnc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 ZINC000437716351 863048648 /nfs/dbraw/zinc/04/86/48/863048648.db2.gz HSKYTHBVLMWPQR-UHFFFAOYSA-N 0 0 407.426 4.283 20 5 HIBDRN CCN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[C@H](C)c1cccc(OC)c1 ZINC000431557596 858669188 /nfs/dbraw/zinc/66/91/88/858669188.db2.gz PMLYIPBGMYAEBY-OAHLLOKOSA-N 0 0 409.442 4.140 20 5 HIBDRN COCCn1nc(C)c(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)c1C ZINC000431562822 858670920 /nfs/dbraw/zinc/67/09/20/858670920.db2.gz YKHZQLRDESEZAE-UHFFFAOYSA-N 0 0 420.535 4.445 20 5 HIBDRN CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000431565095 858672383 /nfs/dbraw/zinc/67/23/83/858672383.db2.gz OHULSMILQTUCGO-QGZVFWFLSA-N 0 0 402.472 4.083 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1OCC(F)(F)F ZINC000431569203 858673393 /nfs/dbraw/zinc/67/33/93/858673393.db2.gz DFIGZIPPBMPTEK-UHFFFAOYSA-N 0 0 421.331 4.102 20 5 HIBDRN CCc1nnc(-c2cccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2)o1 ZINC000431618839 858692740 /nfs/dbraw/zinc/69/27/40/858692740.db2.gz GXUFODHOLDYQAW-UHFFFAOYSA-N 0 0 417.219 4.222 20 5 HIBDRN O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431620598 858693846 /nfs/dbraw/zinc/69/38/46/858693846.db2.gz KEAMZLMXJWJONK-UHFFFAOYSA-N 0 0 415.203 4.192 20 5 HIBDRN CC[C@@H](NC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000431624136 858695888 /nfs/dbraw/zinc/69/58/88/858695888.db2.gz KNFJARLMIGPRTJ-RDTXWAMCSA-N 0 0 409.446 4.080 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000437723342 863053883 /nfs/dbraw/zinc/05/38/83/863053883.db2.gz GQKBZMIPUOPPHV-HNNXBMFYSA-N 0 0 402.882 4.467 20 5 HIBDRN CCC(=O)Nc1ccc(C)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431646630 858710001 /nfs/dbraw/zinc/71/00/01/858710001.db2.gz XUJJQHQWPKCVSC-UHFFFAOYSA-N 0 0 406.236 4.267 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC[C@H]2c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000431713933 858757172 /nfs/dbraw/zinc/75/71/72/858757172.db2.gz DXUCOOFHMZQWGQ-SFHVURJKSA-N 0 0 419.275 4.408 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC(OCCCc2ccccc2)C1 ZINC000431715728 858758825 /nfs/dbraw/zinc/75/88/25/858758825.db2.gz NBQPZAOWEJUHOM-UHFFFAOYSA-N 0 0 423.494 4.192 20 5 HIBDRN C[C@@H](NC(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000431728600 858767874 /nfs/dbraw/zinc/76/78/74/858767874.db2.gz NXPLIPJZPTZPKZ-NEPJUHHUSA-N 0 0 415.837 4.420 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000431767909 858802515 /nfs/dbraw/zinc/80/25/15/858802515.db2.gz HWYVDFBIPGRFLA-OAHLLOKOSA-N 0 0 412.490 4.314 20 5 HIBDRN CC(C)(NC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000431881908 858853858 /nfs/dbraw/zinc/85/38/58/858853858.db2.gz LVLFQRNJKJJCNW-UHFFFAOYSA-N 0 0 411.380 4.270 20 5 HIBDRN Cc1ccccc1Cc1noc(COc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000431912026 858866925 /nfs/dbraw/zinc/86/69/25/858866925.db2.gz LHNYXKXERGUXSE-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1)CCC2 ZINC000431943278 858881099 /nfs/dbraw/zinc/88/10/99/858881099.db2.gz SOPAPKPOVCPTHV-AWEZNQCLSA-N 0 0 410.293 4.272 20 5 HIBDRN CC(C)(C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)c1ccccc1[N+](=O)[O-] ZINC000431957600 858887403 /nfs/dbraw/zinc/88/74/03/858887403.db2.gz LEHDXNNJIYKZPX-UHFFFAOYSA-N 0 0 404.426 4.158 20 5 HIBDRN Cc1ccc([C@@H](C)N2C(=O)N[C@@H](Cc3cccc4ccccc43)C2=O)cc1[N+](=O)[O-] ZINC000431960132 858888279 /nfs/dbraw/zinc/88/82/79/858888279.db2.gz ZVAVONRXQDGWPI-QRWLVFNGSA-N 0 0 403.438 4.281 20 5 HIBDRN CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000432085154 858977601 /nfs/dbraw/zinc/97/76/01/858977601.db2.gz MTNANOWZPZLBPR-UHFFFAOYSA-N 0 0 422.768 4.270 20 5 HIBDRN O=C(NCc1ccc(C2CCCCC2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000432126133 859005122 /nfs/dbraw/zinc/00/51/22/859005122.db2.gz JSHDPFMUZMNBBO-UHFFFAOYSA-N 0 0 411.506 4.386 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000432177549 859032267 /nfs/dbraw/zinc/03/22/67/859032267.db2.gz PUKUSUSJSKQHGV-UHFFFAOYSA-N 0 0 424.844 4.015 20 5 HIBDRN Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)ccc1[N+](=O)[O-] ZINC000432290373 859087529 /nfs/dbraw/zinc/08/75/29/859087529.db2.gz WVTKSIVKVMGPHC-AWEZNQCLSA-N 0 0 400.378 4.148 20 5 HIBDRN O=[N+]([O-])c1cccc2c(N3CCO[C@@H](c4ccc(Br)cc4)C3)ccnc21 ZINC000432317982 859100763 /nfs/dbraw/zinc/10/07/63/859100763.db2.gz NZNDSIOMNDOZQM-GOSISDBHSA-N 0 0 414.259 4.483 20 5 HIBDRN COc1cc(OC)cc(N2CC[C@H](CNc3ccnc4c3cccc4[N+](=O)[O-])C2)c1 ZINC000432327289 859104606 /nfs/dbraw/zinc/10/46/06/859104606.db2.gz RKTKCFFPPHCVIJ-OAHLLOKOSA-N 0 0 408.458 4.099 20 5 HIBDRN O=C(N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1)C12CC3CC(CC(C3)C1)C2 ZINC000432328934 859105783 /nfs/dbraw/zinc/10/57/83/859105783.db2.gz YKRYJFOYZZVGMJ-UHFFFAOYSA-N 0 0 420.513 4.008 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CC(C)(C)c3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000432343293 859111200 /nfs/dbraw/zinc/11/12/00/859111200.db2.gz UIDOCPAAUYXUQZ-AWEZNQCLSA-N 0 0 406.385 4.357 20 5 HIBDRN O=C(Nc1nc(-c2ccccn2)cs1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432356579 859117821 /nfs/dbraw/zinc/11/78/21/859117821.db2.gz JMFGEEHIRDIVMR-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000432449856 859169880 /nfs/dbraw/zinc/16/98/80/859169880.db2.gz VSTDSNGJVPLUIG-MWLCHTKSSA-N 0 0 412.265 4.105 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(Oc2ccncc2)c1 ZINC000432492545 859191641 /nfs/dbraw/zinc/19/16/41/859191641.db2.gz HFPCXQQNSLDVHZ-UHFFFAOYSA-N 0 0 416.393 4.348 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000432501495 859196055 /nfs/dbraw/zinc/19/60/55/859196055.db2.gz DMZDIBCUJMTATR-UHFFFAOYSA-N 0 0 415.515 4.122 20 5 HIBDRN Cc1cc(C)c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(Br)c1 ZINC000432527284 859209601 /nfs/dbraw/zinc/20/96/01/859209601.db2.gz OVUVGAAZPSRXCS-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN O=C(NC[C@H](c1ccccc1)C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000432609249 859253764 /nfs/dbraw/zinc/25/37/64/859253764.db2.gz GNIABMSQHWKAFL-JOCHJYFZSA-N 0 0 409.486 4.341 20 5 HIBDRN C[C@H]1CCS(=O)(=O)CCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000432816238 859373412 /nfs/dbraw/zinc/37/34/12/859373412.db2.gz OFZUUVRLNIPWBD-AWEZNQCLSA-N 0 0 424.906 4.050 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000432852971 859390128 /nfs/dbraw/zinc/39/01/28/859390128.db2.gz ILTZZJDITOOWFV-GOSISDBHSA-N 0 0 404.369 4.027 20 5 HIBDRN CC(C)(NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000432905787 859420954 /nfs/dbraw/zinc/42/09/54/859420954.db2.gz LKHLPBRLBLWPRI-UHFFFAOYSA-N 0 0 410.474 4.324 20 5 HIBDRN CC(C)NC(=O)Nc1ccccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433021732 859483416 /nfs/dbraw/zinc/48/34/16/859483416.db2.gz YDQNXOMWOUNDAR-UHFFFAOYSA-N 0 0 421.251 4.140 20 5 HIBDRN O=C(CN1CCC[C@@H](c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433043582 859497079 /nfs/dbraw/zinc/49/70/79/859497079.db2.gz JSNDYRFYEJTERG-OAHLLOKOSA-N 0 0 418.291 4.175 20 5 HIBDRN Cc1cnc(C2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)s1 ZINC000433133300 859532874 /nfs/dbraw/zinc/53/28/74/859532874.db2.gz DRLDKWNKXIVAQG-GFCCVEGCSA-N 0 0 408.911 4.220 20 5 HIBDRN CCN(C[C@@H]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1)CC(F)(F)F ZINC000433417235 859688960 /nfs/dbraw/zinc/68/89/60/859688960.db2.gz JLFYOVKWAYYNGA-HNNXBMFYSA-N 0 0 423.439 4.071 20 5 HIBDRN CC(C)[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000433469897 859718087 /nfs/dbraw/zinc/71/80/87/859718087.db2.gz MNSQZDSOQIHLJR-FQEVSTJZSA-N 0 0 417.462 4.300 20 5 HIBDRN CCCN(C(=O)c1ccccc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000433472104 859719992 /nfs/dbraw/zinc/71/99/92/859719992.db2.gz QWNUGRAGYVVRCV-UHFFFAOYSA-N 0 0 412.490 4.214 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)Cc1ccc(Br)cc1C ZINC000433557675 859777003 /nfs/dbraw/zinc/77/70/03/859777003.db2.gz IKNDNZAGGDKCJP-UHFFFAOYSA-N 0 0 422.279 4.016 20 5 HIBDRN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433584599 859795410 /nfs/dbraw/zinc/79/54/10/859795410.db2.gz ISCKRWPBNLGFRI-ORAYPTAESA-N 0 0 409.467 4.183 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(NCc3csc(CCc4ccccc4)n3)cc2N1 ZINC000433614814 859810823 /nfs/dbraw/zinc/81/08/23/859810823.db2.gz GQKPQQIIOHBKNF-UHFFFAOYSA-N 0 0 408.483 4.333 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c1[N+](=O)[O-] ZINC000433755831 859877770 /nfs/dbraw/zinc/87/77/70/859877770.db2.gz BIQDUABIRPJNNG-UHFFFAOYSA-N 0 0 415.353 4.202 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cccc(CSC3CCOCC3)c2)c1[N+](=O)[O-] ZINC000433769887 859885952 /nfs/dbraw/zinc/88/59/52/859885952.db2.gz YXVIEJIFNBDLQK-UHFFFAOYSA-N 0 0 404.492 4.106 20 5 HIBDRN O=C(Cc1cc(Br)ccc1F)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000433774439 859887274 /nfs/dbraw/zinc/88/72/74/859887274.db2.gz LYGSZCQLKUMALW-UHFFFAOYSA-N 0 0 409.255 4.178 20 5 HIBDRN Cn1cc(-c2cc(F)ccc2NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000433787969 859892936 /nfs/dbraw/zinc/89/29/36/859892936.db2.gz ACYLDHLFHBEAPF-UHFFFAOYSA-N 0 0 411.437 4.279 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1[N+](=O)[O-] ZINC000433826225 859916102 /nfs/dbraw/zinc/91/61/02/859916102.db2.gz MNGLBEZEGOBDGO-UHFFFAOYSA-N 0 0 405.867 4.394 20 5 HIBDRN CCCCS(=O)(=O)c1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000433828567 859918549 /nfs/dbraw/zinc/91/85/49/859918549.db2.gz MQXLJPGRZDBJMO-UHFFFAOYSA-N 0 0 418.515 4.219 20 5 HIBDRN CCOc1ccc([C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c2ccccc2)cc1 ZINC000433834309 859921690 /nfs/dbraw/zinc/92/16/90/859921690.db2.gz RPVNPCAIJTUHHS-IBGZPJMESA-N 0 0 408.458 4.359 20 5 HIBDRN CCOc1ccc([C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C(C)C)cc1OCC ZINC000433852069 859934410 /nfs/dbraw/zinc/93/44/10/859934410.db2.gz FTKBRHAWLLMTPT-KRWDZBQOSA-N 0 0 418.494 4.366 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1[N+](=O)[O-] ZINC000433858904 859938388 /nfs/dbraw/zinc/93/83/88/859938388.db2.gz MDYOGNFQQZLOQK-UHFFFAOYSA-N 0 0 406.748 4.288 20 5 HIBDRN CCOc1cc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c([N+](=O)[O-])cc1OC ZINC000433931251 859980344 /nfs/dbraw/zinc/98/03/44/859980344.db2.gz CRBZOGMMROHNDA-UHFFFAOYSA-N 0 0 424.413 4.182 20 5 HIBDRN O=C1[C@@H](N2CCC[C@@H]2c2nc3ccccc3s2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000433955987 860000570 /nfs/dbraw/zinc/00/05/70/860000570.db2.gz AEFHXAWEBPFZOL-MSOLQXFVSA-N 0 0 408.483 4.147 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000433962915 860005751 /nfs/dbraw/zinc/00/57/51/860005751.db2.gz SMTWESOXQQOGNK-UHFFFAOYSA-N 0 0 410.499 4.362 20 5 HIBDRN CC(C)(c1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1)C(F)(F)F ZINC000433973176 860011346 /nfs/dbraw/zinc/01/13/46/860011346.db2.gz WFPMVMIVUAFAHC-OAHLLOKOSA-N 0 0 422.407 4.156 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000434022755 860046100 /nfs/dbraw/zinc/04/61/00/860046100.db2.gz BMAOMSKNHNHAFX-UHFFFAOYSA-N 0 0 420.853 4.106 20 5 HIBDRN COc1ccc(-c2csc(CNC(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])c2)cc1 ZINC000434028369 860049654 /nfs/dbraw/zinc/04/96/54/860049654.db2.gz SNBUQNKHQVDUIL-UHFFFAOYSA-N 0 0 400.460 4.108 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H](C)c2cccc(OCc3ccccc3)c2)c(C)c1[N+](=O)[O-] ZINC000434036723 860055634 /nfs/dbraw/zinc/05/56/34/860055634.db2.gz MZFHMYXMKIXLSH-MRXNPFEDSA-N 0 0 422.485 4.255 20 5 HIBDRN COc1cc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000434086171 860092828 /nfs/dbraw/zinc/09/28/28/860092828.db2.gz ATYOPRHCNSZMHN-HNNXBMFYSA-N 0 0 420.412 4.471 20 5 HIBDRN CCOc1ccc2c(c1)CCN(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000434086281 860093035 /nfs/dbraw/zinc/09/30/35/860093035.db2.gz BIEFFTPBSNABAN-UHFFFAOYSA-N 0 0 409.467 4.316 20 5 HIBDRN Cn1cc(Br)cc(NC(=O)c2cc3ccccc3c3cccnc23)c1=O ZINC000434149949 860146176 /nfs/dbraw/zinc/14/61/76/860146176.db2.gz HTDIJYVANCWBHP-UHFFFAOYSA-N 0 0 408.255 4.102 20 5 HIBDRN O=C(Cc1cc(F)ccc1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000434155704 860151009 /nfs/dbraw/zinc/15/10/09/860151009.db2.gz VNHOPBHHMQIJIY-UHFFFAOYSA-N 0 0 407.239 4.230 20 5 HIBDRN Cc1nn(CCC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000434158291 860154273 /nfs/dbraw/zinc/15/42/73/860154273.db2.gz SKJCEKXMUSLQGF-NSHDSACASA-N 0 0 411.289 4.251 20 5 HIBDRN C[C@@]1(CCc2ccccc2)CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000434242777 860224805 /nfs/dbraw/zinc/22/48/05/860224805.db2.gz MVNXOERLTNLDSG-HSZRJFAPSA-N 0 0 404.470 4.266 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000434243474 860224811 /nfs/dbraw/zinc/22/48/11/860224811.db2.gz DQABPVJMLUENJS-UHFFFAOYSA-N 0 0 421.295 4.008 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000434246984 860227373 /nfs/dbraw/zinc/22/73/73/860227373.db2.gz VGELYRDPYPOGID-UHFFFAOYSA-N 0 0 421.173 4.475 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000434248297 860227829 /nfs/dbraw/zinc/22/78/29/860227829.db2.gz IOTSFEGVXYQBBU-MRXNPFEDSA-N 0 0 400.431 4.244 20 5 HIBDRN CC1(C)CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCS1 ZINC000434366374 860315709 /nfs/dbraw/zinc/31/57/09/860315709.db2.gz GFCVUICHLJDSHL-UHFFFAOYSA-N 0 0 415.302 4.055 20 5 HIBDRN Cc1ccc(-c2[nH]nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c2C)o1 ZINC000434502521 860376967 /nfs/dbraw/zinc/37/69/67/860376967.db2.gz KCNLNKNXIZQBAN-UHFFFAOYSA-N 0 0 419.235 4.138 20 5 HIBDRN O=C(NCc1csc(CCc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000434565462 860403978 /nfs/dbraw/zinc/40/39/78/860403978.db2.gz PFDZEPSRFCIFPY-UHFFFAOYSA-N 0 0 401.875 4.420 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000434640878 860442508 /nfs/dbraw/zinc/44/25/08/860442508.db2.gz PMCCIEAQPWEFRF-UHFFFAOYSA-N 0 0 404.271 4.415 20 5 HIBDRN CCn1c(SCc2nccn2-c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000434649759 860446359 /nfs/dbraw/zinc/44/63/59/860446359.db2.gz CUJHSLQRMSEPQC-UHFFFAOYSA-N 0 0 406.471 4.351 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CSc3nnc(NCc4ccc(F)cc4)s3)nc2c1 ZINC000434809547 860503981 /nfs/dbraw/zinc/50/39/81/860503981.db2.gz OQZNEPLQDPPJMI-UHFFFAOYSA-N 0 0 417.447 4.631 20 5 HIBDRN C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000434907126 860549860 /nfs/dbraw/zinc/54/98/60/860549860.db2.gz WBMJLHCBLHBEJK-BBRMVZONSA-N 0 0 418.291 4.174 20 5 HIBDRN O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000434955027 860572801 /nfs/dbraw/zinc/57/28/01/860572801.db2.gz MLDBJFHKCDSUJJ-INIZCTEOSA-N 0 0 407.257 4.249 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000434967005 860578818 /nfs/dbraw/zinc/57/88/18/860578818.db2.gz DVICFKBGSHYNHP-LBPRGKRZSA-N 0 0 414.409 4.159 20 5 HIBDRN CC[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000435322669 860734927 /nfs/dbraw/zinc/73/49/27/860734927.db2.gz FSZYVXWPMPXRRA-CYBMUJFWSA-N 0 0 424.299 4.289 20 5 HIBDRN CCOc1cc(O)ccc1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435323900 860735441 /nfs/dbraw/zinc/73/54/41/860735441.db2.gz QKIQVDDBLFEISO-UHFFFAOYSA-N 0 0 410.224 4.414 20 5 HIBDRN Cc1c(NC(=O)NC[C@@H]2CCOc3ccccc32)cc(Br)cc1[N+](=O)[O-] ZINC000435326899 860738018 /nfs/dbraw/zinc/73/80/18/860738018.db2.gz FFPUOHCBXJNSOQ-LBPRGKRZSA-N 0 0 420.263 4.354 20 5 HIBDRN Cc1c(NC(=O)NCCOC2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435327579 860739229 /nfs/dbraw/zinc/73/92/29/860739229.db2.gz HVWVKXILISNZKK-UHFFFAOYSA-N 0 0 400.273 4.137 20 5 HIBDRN COC[C@H](Cc1ccccc1)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435327973 860739963 /nfs/dbraw/zinc/73/99/63/860739963.db2.gz JPXPNFFKXNZDHN-HNNXBMFYSA-N 0 0 422.279 4.045 20 5 HIBDRN CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435329559 860740759 /nfs/dbraw/zinc/74/07/59/860740759.db2.gz PXUZTDZKNKSZGY-SMDDNHRTSA-N 0 0 402.314 4.461 20 5 HIBDRN Cc1c(NC(=O)N2CCOc3c(F)cccc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000435329854 860741601 /nfs/dbraw/zinc/74/16/01/860741601.db2.gz QXJBOGBPIHYMMN-UHFFFAOYSA-N 0 0 424.226 4.231 20 5 HIBDRN CS[C@@H]1CCC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435329600 860741628 /nfs/dbraw/zinc/74/16/28/860741628.db2.gz QCLFSBVNJBAWHK-VXGBXAGGSA-N 0 0 402.314 4.461 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](C)Cc2cccc(O)c2)cc(Br)cc1[N+](=O)[O-] ZINC000435330922 860742454 /nfs/dbraw/zinc/74/24/54/860742454.db2.gz XHPUNPKDVGWWEU-JTQLQIEISA-N 0 0 408.252 4.124 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000435333163 860744040 /nfs/dbraw/zinc/74/40/40/860744040.db2.gz OCKCJZILCUTKCV-UHFFFAOYSA-N 0 0 412.877 4.106 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435353282 860754325 /nfs/dbraw/zinc/75/43/25/860754325.db2.gz GCPINQMJSFSBOT-CYBMUJFWSA-N 0 0 413.421 4.409 20 5 HIBDRN CN(C)c1ccccc1N(C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000435374365 860772822 /nfs/dbraw/zinc/77/28/22/860772822.db2.gz IIDUQIQWENNXBI-UHFFFAOYSA-N 0 0 413.421 4.435 20 5 HIBDRN Cc1sc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1[N+](=O)[O-] ZINC000435385109 860779403 /nfs/dbraw/zinc/77/94/03/860779403.db2.gz POWBFXBIFROJBY-SECBINFHSA-N 0 0 405.423 4.460 20 5 HIBDRN Cc1cc(OCC(=O)N[C@H](c2ccccc2)c2ccc3[nH]cnc3c2)ccc1[N+](=O)[O-] ZINC000435409055 860789921 /nfs/dbraw/zinc/78/99/21/860789921.db2.gz ASFQZAQHXPDBGR-HSZRJFAPSA-N 0 0 416.437 4.064 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3c(Cl)cc(F)cc3Cl)c2)c1 ZINC000435433213 860797364 /nfs/dbraw/zinc/79/73/64/860797364.db2.gz MOCFYIADEQBKKF-UHFFFAOYSA-N 0 0 416.217 4.141 20 5 HIBDRN CS(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)o1 ZINC000435444332 860800769 /nfs/dbraw/zinc/80/07/69/860800769.db2.gz SACGPXJWFBKQBH-UHFFFAOYSA-N 0 0 424.481 4.056 20 5 HIBDRN CCN(CC)C(=O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435450149 860802791 /nfs/dbraw/zinc/80/27/91/860802791.db2.gz ZUGYZEYYMMAECR-UHFFFAOYSA-N 0 0 407.517 4.395 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nccn1CCc1ccccc1 ZINC000435509510 860828556 /nfs/dbraw/zinc/82/85/56/860828556.db2.gz CJGUYWHZKURZCY-UHFFFAOYSA-N 0 0 421.501 4.154 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c1[N+](=O)[O-] ZINC000435542455 860855998 /nfs/dbraw/zinc/85/59/98/860855998.db2.gz PMHSEBKXMJFQEI-CQSZACIVSA-N 0 0 411.458 4.036 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000435620826 860923281 /nfs/dbraw/zinc/92/32/81/860923281.db2.gz GJJHAYCFGWIQGJ-UHFFFAOYSA-N 0 0 408.458 4.398 20 5 HIBDRN Cn1ccnc1-c1cc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n[nH]1 ZINC000435715182 860998549 /nfs/dbraw/zinc/99/85/49/860998549.db2.gz VUHROFAKYINHMX-UHFFFAOYSA-N 0 0 420.454 4.122 20 5 HIBDRN COc1cccc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)c1[N+](=O)[O-] ZINC000435719529 861005604 /nfs/dbraw/zinc/00/56/04/861005604.db2.gz NLSMEBKCIXHPBW-UHFFFAOYSA-N 0 0 410.474 4.056 20 5 HIBDRN CCOC(=O)c1cc(N[C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)ccc1[N+](=O)[O-] ZINC000467784031 881605106 /nfs/dbraw/zinc/60/51/06/881605106.db2.gz GHGHNGXDHWOCBS-KPZWWZAWSA-N 0 0 413.430 4.054 20 5 HIBDRN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435813091 861078777 /nfs/dbraw/zinc/07/87/77/861078777.db2.gz DCHKXCZMAZRZGR-NRFANRHFSA-N 0 0 417.534 4.310 20 5 HIBDRN CC[C@H](Cc1ccccc1Br)NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435821854 861086441 /nfs/dbraw/zinc/08/64/41/861086441.db2.gz JACRDKYZHTVILE-CYBMUJFWSA-N 0 0 407.264 4.117 20 5 HIBDRN O=C(N[C@@H]1CCc2ccccc2C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435822430 861087223 /nfs/dbraw/zinc/08/72/23/861087223.db2.gz PXNMCSUPQBRKAK-QGZVFWFLSA-N 0 0 404.416 4.247 20 5 HIBDRN Cc1cccc(OCCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000435830839 861095612 /nfs/dbraw/zinc/09/56/12/861095612.db2.gz KFBHGIDDMVZQCC-UHFFFAOYSA-N 0 0 408.404 4.077 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000435837267 861098240 /nfs/dbraw/zinc/09/82/40/861098240.db2.gz UMFYKLCWYSCCIC-RMKNXTFCSA-N 0 0 423.516 4.153 20 5 HIBDRN O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435836093 861098503 /nfs/dbraw/zinc/09/85/03/861098503.db2.gz OUCLKSODKQWNFK-UHFFFAOYSA-N 0 0 415.424 4.200 20 5 HIBDRN COc1ccccc1CN(C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435837497 861099760 /nfs/dbraw/zinc/09/97/60/861099760.db2.gz VJDZDCIBNMIKAC-UHFFFAOYSA-N 0 0 408.404 4.240 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000435872224 861131936 /nfs/dbraw/zinc/13/19/36/861131936.db2.gz XIVUNSFZPXCORD-GDLZYMKVSA-N 0 0 410.451 4.164 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(F)cc(Br)cc1Cl ZINC000435894206 861151265 /nfs/dbraw/zinc/15/12/65/861151265.db2.gz RILDWJCNRBKDET-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN CCOC(=O)c1cc(NCc2ccc(C)cc2OC[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000467795585 881618518 /nfs/dbraw/zinc/61/85/18/881618518.db2.gz CQLKVIPMYYDESX-MRXNPFEDSA-N 0 0 414.458 4.107 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000467799932 881623467 /nfs/dbraw/zinc/62/34/67/881623467.db2.gz QUONKQJUQQZFSO-UHFFFAOYSA-N 0 0 401.825 4.386 20 5 HIBDRN CCc1ccc(CC)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000437779847 863098339 /nfs/dbraw/zinc/09/83/39/863098339.db2.gz SGBANRJKSMGMQD-OAQYLSRUSA-N 0 0 409.486 4.271 20 5 HIBDRN CC(=O)N1CCCc2cc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc21 ZINC000437792593 863110015 /nfs/dbraw/zinc/11/00/15/863110015.db2.gz AJTWDELUEBMDMT-UHFFFAOYSA-N 0 0 408.458 4.090 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437819801 863158733 /nfs/dbraw/zinc/15/87/33/863158733.db2.gz KRCFERHMWJFBIE-VBKZILBWSA-N 0 0 418.877 4.303 20 5 HIBDRN COc1cc(Oc2ccccc2)ccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000437909629 863284985 /nfs/dbraw/zinc/28/49/85/863284985.db2.gz MRYQAQYTIZJYJJ-UHFFFAOYSA-N 0 0 422.393 4.419 20 5 HIBDRN CCCOc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC ZINC000437915554 863292651 /nfs/dbraw/zinc/29/26/51/863292651.db2.gz BZFDSGUEXKONED-UHFFFAOYSA-N 0 0 413.474 4.266 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437918130 863295164 /nfs/dbraw/zinc/29/51/64/863295164.db2.gz IPWLASOKNLRVNF-UHFFFAOYSA-N 0 0 420.853 4.058 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437949826 863323172 /nfs/dbraw/zinc/32/31/72/863323172.db2.gz DUBGUAPAVRLYQD-GOSISDBHSA-N 0 0 412.465 4.077 20 5 HIBDRN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437976268 863344225 /nfs/dbraw/zinc/34/42/25/863344225.db2.gz JJCQBZDCLVFUCW-QGZVFWFLSA-N 0 0 414.893 4.201 20 5 HIBDRN CC(C)CC(=O)Nc1cccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000438013019 863373610 /nfs/dbraw/zinc/37/36/10/863373610.db2.gz RBKAFGKGMHGRQN-UHFFFAOYSA-N 0 0 424.501 4.454 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)cc1SC ZINC000438142337 863562875 /nfs/dbraw/zinc/56/28/75/863562875.db2.gz GSXPLTPTBSWIDH-CRTZDJKQSA-N 0 0 402.472 4.008 20 5 HIBDRN C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000438146935 863567456 /nfs/dbraw/zinc/56/74/56/863567456.db2.gz GKEZETXGEKTZSQ-PZROIBLQSA-N 0 0 424.375 4.219 20 5 HIBDRN CNc1c(C(=O)N2CCC(c3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] ZINC000467837569 881673613 /nfs/dbraw/zinc/67/36/13/881673613.db2.gz DBPCNEPMTXITBC-UHFFFAOYSA-N 0 0 418.291 4.419 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000438237976 863685613 /nfs/dbraw/zinc/68/56/13/863685613.db2.gz UJNYJSFHYUKWRI-JLTOFOAXSA-N 0 0 418.877 4.303 20 5 HIBDRN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)[C@H](OC1CCOCC1)c1ccccc1 ZINC000438238364 863690302 /nfs/dbraw/zinc/69/03/02/863690302.db2.gz UJJFFYIBTMLSSL-QRQCRPRQSA-N 0 0 423.469 4.131 20 5 HIBDRN Cc1cc(OCC(=O)Nc2nnc(SCc3cccs3)s2)ccc1[N+](=O)[O-] ZINC000438258151 863723054 /nfs/dbraw/zinc/72/30/54/863723054.db2.gz MWXWCAPEQJQBSY-UHFFFAOYSA-N 0 0 422.513 4.126 20 5 HIBDRN O=[N+]([O-])c1cc(CSCc2ccn(-c3ccccc3F)n2)c2c(c1)COCO2 ZINC000438305941 863786935 /nfs/dbraw/zinc/78/69/35/863786935.db2.gz ORDRAOSWCKIASI-UHFFFAOYSA-N 0 0 401.419 4.220 20 5 HIBDRN CCSc1ccc(Cl)cc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000438319789 863798938 /nfs/dbraw/zinc/79/89/38/863798938.db2.gz XHDZWSKAMDIEGK-CYBMUJFWSA-N 0 0 406.895 4.082 20 5 HIBDRN CCOc1cc(C(=O)Nc2c(F)cccc2Br)c([N+](=O)[O-])cc1OC ZINC000438415823 863855529 /nfs/dbraw/zinc/85/55/29/863855529.db2.gz DDQVNIASXIHISU-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000438475075 863892999 /nfs/dbraw/zinc/89/29/99/863892999.db2.gz ANJBFQFJEANELS-AWEZNQCLSA-N 0 0 423.473 4.490 20 5 HIBDRN CC(C)OC(=O)[C@@H](C)CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000438486084 863902904 /nfs/dbraw/zinc/90/29/04/863902904.db2.gz GHPHWZMIZZUZIJ-AWEZNQCLSA-N 0 0 401.419 4.096 20 5 HIBDRN C[C@@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)OC(C)(C)C ZINC000438489994 863909142 /nfs/dbraw/zinc/90/91/42/863909142.db2.gz HJSWBRHQKHCXNW-CYBMUJFWSA-N 0 0 401.419 4.239 20 5 HIBDRN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438511830 863936040 /nfs/dbraw/zinc/93/60/40/863936040.db2.gz LFZUDJURRKZOEA-GOEBONIOSA-N 0 0 413.440 4.296 20 5 HIBDRN CN(CC1(CO)CC1)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000438511795 863936628 /nfs/dbraw/zinc/93/66/28/863936628.db2.gz WBZUXFQTBUWTOX-UHFFFAOYSA-N 0 0 406.891 4.244 20 5 HIBDRN C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000467859802 881711320 /nfs/dbraw/zinc/71/13/20/881711320.db2.gz WOFNGDOQHQFHLA-WBVHZDCISA-N 0 0 400.500 4.088 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000438520660 863946571 /nfs/dbraw/zinc/94/65/71/863946571.db2.gz XCFSQJDDFDUXRS-GXTWGEPZSA-N 0 0 420.453 4.322 20 5 HIBDRN Cc1cc(C(=O)[C@@H](C)N2CCc3ccc([N+](=O)[O-])cc3C2)c(C)n1Cc1ccco1 ZINC000438527169 863951537 /nfs/dbraw/zinc/95/15/37/863951537.db2.gz BUJPNGGFXDDHTF-QGZVFWFLSA-N 0 0 407.470 4.284 20 5 HIBDRN Cc1cc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1C(F)(F)F ZINC000438531419 863957941 /nfs/dbraw/zinc/95/79/41/863957941.db2.gz URGSKTCOMNEHCG-UHFFFAOYSA-N 0 0 408.380 4.276 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CCC2(CCOCC2)CC1 ZINC000438536354 863962436 /nfs/dbraw/zinc/96/24/36/863962436.db2.gz PKMUCEJOZHRQPX-UHFFFAOYSA-N 0 0 404.510 4.010 20 5 HIBDRN CC(C)Sc1ccccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467866048 881721361 /nfs/dbraw/zinc/72/13/61/881721361.db2.gz HNICZSMOLYPSTG-UHFFFAOYSA-N 0 0 407.879 4.004 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)N(Cc2ccccc2)c2ccccc21 ZINC000438625188 864052834 /nfs/dbraw/zinc/05/28/34/864052834.db2.gz PMRRFXBZCYZMDQ-MRXNPFEDSA-N 0 0 402.454 4.354 20 5 HIBDRN COc1cnccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000438629009 864057937 /nfs/dbraw/zinc/05/79/37/864057937.db2.gz MPGYUJMVXZZWDU-OAHLLOKOSA-N 0 0 406.442 4.102 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000438629434 864058028 /nfs/dbraw/zinc/05/80/28/864058028.db2.gz FLSYSBGFYGGWFD-UHFFFAOYSA-N 0 0 402.426 4.289 20 5 HIBDRN CC(C)Sc1ccccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000438660994 864109319 /nfs/dbraw/zinc/10/93/19/864109319.db2.gz LZGKYUFGTPUWMT-UHFFFAOYSA-N 0 0 415.515 4.471 20 5 HIBDRN CSc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Cl ZINC000438669400 864127361 /nfs/dbraw/zinc/12/73/61/864127361.db2.gz SJNGNECVRJEJHA-UHFFFAOYSA-N 0 0 421.906 4.346 20 5 HIBDRN COc1cc(-c2nc(-c3cc(Br)cs3)no2)cc([N+](=O)[O-])c1OC ZINC000438729390 864213554 /nfs/dbraw/zinc/21/35/54/864213554.db2.gz FLSUUMSZECOCSQ-UHFFFAOYSA-N 0 0 412.221 4.153 20 5 HIBDRN O=[N+]([O-])c1cnn(C[C@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000438787450 864279551 /nfs/dbraw/zinc/27/95/51/864279551.db2.gz WDDGGMFKLHMLRM-SFHVURJKSA-N 0 0 422.466 4.267 20 5 HIBDRN COc1cccc(-c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)c1 ZINC000438819090 864312449 /nfs/dbraw/zinc/31/24/49/864312449.db2.gz LKEAGVSILGSPBP-UHFFFAOYSA-N 0 0 408.336 4.327 20 5 HIBDRN Cc1c(CC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cccc1[N+](=O)[O-] ZINC000438826698 864321605 /nfs/dbraw/zinc/32/16/05/864321605.db2.gz FHNPDHNFRKCNMX-UHFFFAOYSA-N 0 0 400.438 4.101 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(CSC3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000438834534 864326857 /nfs/dbraw/zinc/32/68/57/864326857.db2.gz KLNIMUYROBXIRZ-UHFFFAOYSA-N 0 0 400.500 4.497 20 5 HIBDRN Cc1occc1C(=O)Nc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000438901959 864382883 /nfs/dbraw/zinc/38/28/83/864382883.db2.gz PYYUBDRYZAMZLI-UHFFFAOYSA-N 0 0 411.389 4.377 20 5 HIBDRN CC(C)c1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000438968237 864434179 /nfs/dbraw/zinc/43/41/79/864434179.db2.gz QJFFNCUAWBNAJI-AWEZNQCLSA-N 0 0 410.474 4.493 20 5 HIBDRN COc1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(OCc2ccccc2)c1 ZINC000439021292 864474827 /nfs/dbraw/zinc/47/48/27/864474827.db2.gz PQFSKCZAJXSZQN-UHFFFAOYSA-N 0 0 421.453 4.257 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(OCc2ccccc2)c1 ZINC000439022417 864475641 /nfs/dbraw/zinc/47/56/41/864475641.db2.gz MHZGSBICFIDFLW-UHFFFAOYSA-N 0 0 408.410 4.443 20 5 HIBDRN Cc1c(CC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000439041958 864495071 /nfs/dbraw/zinc/49/50/71/864495071.db2.gz MHBDDPHFXHVQHS-HOTGVXAUSA-N 0 0 409.486 4.203 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cc1[N+](=O)[O-] ZINC000439101213 864541163 /nfs/dbraw/zinc/54/11/63/864541163.db2.gz OBHYWSSTNLUDPS-UHFFFAOYSA-N 0 0 420.425 4.257 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1OCCn1ccnc1 ZINC000439108365 864545844 /nfs/dbraw/zinc/54/58/44/864545844.db2.gz DMIFBTHGEPSZRJ-UHFFFAOYSA-N 0 0 400.822 4.084 20 5 HIBDRN COCCCN(CCc1ccc(OC)cc1)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439114055 864551340 /nfs/dbraw/zinc/55/13/40/864551340.db2.gz GCIIRQJFVBSBMJ-UHFFFAOYSA-N 0 0 420.893 4.287 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC(c2ccccc2Br)CC1 ZINC000439123636 864559856 /nfs/dbraw/zinc/55/98/56/864559856.db2.gz LXTLANKPZORDTR-UHFFFAOYSA-N 0 0 418.291 4.447 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1OC(F)F ZINC000439136469 864569177 /nfs/dbraw/zinc/56/91/77/864569177.db2.gz QRSLKYYYQDFSPX-UHFFFAOYSA-N 0 0 414.792 4.439 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(-c2ccccc2F)n1 ZINC000439247874 864665666 /nfs/dbraw/zinc/66/56/66/864665666.db2.gz GSUFZTFEUWBMMQ-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2nnc3n(C)[nH]c(-c4ccccc4)c2-3)cc1[N+](=O)[O-] ZINC000439261445 864676463 /nfs/dbraw/zinc/67/64/63/864676463.db2.gz UHIQSYFKUQSNEZ-UHFFFAOYSA-N 0 0 404.430 4.247 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(CCc3ccccc3)no2)c(Br)c1 ZINC000439276437 864695317 /nfs/dbraw/zinc/69/53/17/864695317.db2.gz UGLOAVFWPVUKOM-UHFFFAOYSA-N 0 0 404.220 4.105 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000439318346 864753393 /nfs/dbraw/zinc/75/33/93/864753393.db2.gz GVJHJQOZLCAUIX-UHFFFAOYSA-N 0 0 403.410 4.105 20 5 HIBDRN COc1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)CC2 ZINC000439369353 864804686 /nfs/dbraw/zinc/80/46/86/864804686.db2.gz JFONOTXQZHBRPF-UHFFFAOYSA-N 0 0 400.500 4.345 20 5 HIBDRN CC(C)[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000439445575 864834602 /nfs/dbraw/zinc/83/46/02/864834602.db2.gz CYCKRJRFZTXQJK-MRXNPFEDSA-N 0 0 409.364 4.066 20 5 HIBDRN Cc1c(NC(=O)CCN2CCCc3c4cccc(F)c4[nH]c3C2)cccc1[N+](=O)[O-] ZINC000439464683 864841722 /nfs/dbraw/zinc/84/17/22/864841722.db2.gz DQAJLFGXNIPRIC-UHFFFAOYSA-N 0 0 410.449 4.301 20 5 HIBDRN CC[C@]1(c2ccc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)cc2)CCC(=O)NC1=O ZINC000439472625 864843362 /nfs/dbraw/zinc/84/33/62/864843362.db2.gz SQVBBRCKWCRHLH-HSZRJFAPSA-N 0 0 423.469 4.055 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000467939471 881810633 /nfs/dbraw/zinc/81/06/33/881810633.db2.gz SFOHYXVHKWOJNU-AWEZNQCLSA-N 0 0 405.735 4.490 20 5 HIBDRN CCCc1c(NC(=O)NCCc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000467967573 881826223 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COc1ccc(OCCN2C[C@@H](c3ccccc3Cl)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000441388144 866459398 /nfs/dbraw/zinc/45/93/98/866459398.db2.gz RIMNJHLQEZOYOU-VLIAUNLRSA-N 0 0 406.866 4.098 20 5 HIBDRN COc1cc(-c2noc(CSCCOc3ccccc3[N+](=O)[O-])n2)ccc1C ZINC000441398288 866471900 /nfs/dbraw/zinc/47/19/00/866471900.db2.gz HGPWPJUUAMXVAY-UHFFFAOYSA-N 0 0 401.444 4.274 20 5 HIBDRN CCCN(C(=O)c1cc(OC)c(OC(F)F)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000441430710 866508456 /nfs/dbraw/zinc/50/84/56/866508456.db2.gz BODYCCFWCRVDNH-UHFFFAOYSA-N 0 0 410.373 4.270 20 5 HIBDRN CCCN(C(=O)c1ccc(NC(=O)N(C)C)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000441443315 866520592 /nfs/dbraw/zinc/52/05/92/866520592.db2.gz FSSWVKSSOKERTF-UHFFFAOYSA-N 0 0 404.854 4.399 20 5 HIBDRN Cc1nn(C)c(C(=O)Nc2cc(F)ccc2Nc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000441446620 866522059 /nfs/dbraw/zinc/52/20/59/866522059.db2.gz LAJJIFNDWJOZPY-UHFFFAOYSA-N 0 0 405.336 4.050 20 5 HIBDRN CCCN(C(=O)CCc1nc(-c2ccc(OCC)cc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000441475799 866553747 /nfs/dbraw/zinc/55/37/47/866553747.db2.gz JAEMUUCNMWQIIW-UHFFFAOYSA-N 0 0 424.457 4.419 20 5 HIBDRN Cc1cc(N2CCNC2=O)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000441496885 866579803 /nfs/dbraw/zinc/57/98/03/866579803.db2.gz IKIYUARNMPQDKP-UHFFFAOYSA-N 0 0 414.487 4.186 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc(COCC(F)(F)F)c1 ZINC000441714300 866817763 /nfs/dbraw/zinc/81/77/63/866817763.db2.gz DQLUMIHPFCEUNM-UHFFFAOYSA-N 0 0 414.405 4.082 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(COCC(F)(F)F)c2)c1 ZINC000441729608 866823567 /nfs/dbraw/zinc/82/35/67/866823567.db2.gz PMFOLJPUUXLAOH-UHFFFAOYSA-N 0 0 414.405 4.326 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441764996 866842466 /nfs/dbraw/zinc/84/24/66/866842466.db2.gz MFXPJZVOXKMLML-LLVKDONJSA-N 0 0 424.910 4.295 20 5 HIBDRN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441849824 866913090 /nfs/dbraw/zinc/91/30/90/866913090.db2.gz YMLPVWALXQINLR-SFHVURJKSA-N 0 0 421.856 4.052 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(c2ncc[nH]2)CC1 ZINC000442029657 867073839 /nfs/dbraw/zinc/07/38/39/867073839.db2.gz SHYWKYZMFCGUBN-UHFFFAOYSA-N 0 0 408.483 4.489 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000442073981 867104375 /nfs/dbraw/zinc/10/43/75/867104375.db2.gz QGFDSGYVKCISPW-INIZCTEOSA-N 0 0 419.865 4.099 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000442073994 867104878 /nfs/dbraw/zinc/10/48/78/867104878.db2.gz QGZRVYSOLQBFCG-QGZVFWFLSA-N 0 0 403.866 4.399 20 5 HIBDRN O=C(NCCc1cn2c(n1)CCCC2)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442280309 867304313 /nfs/dbraw/zinc/30/43/13/867304313.db2.gz ZKKDGOXCLVFDDA-UHFFFAOYSA-N 0 0 422.510 4.251 20 5 HIBDRN CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000442525961 867500326 /nfs/dbraw/zinc/50/03/26/867500326.db2.gz LWFJBLZMHLVEAN-KXBFYZLASA-N 0 0 415.877 4.263 20 5 HIBDRN O=C(NCc1nc(-c2ccccc2F)cs1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000468215183 882096892 /nfs/dbraw/zinc/09/68/92/882096892.db2.gz KWDYGFYTXFRYJO-UHFFFAOYSA-N 0 0 408.414 4.336 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCOc3ccc(Br)cc32)c1 ZINC000468214717 882097628 /nfs/dbraw/zinc/09/76/28/882097628.db2.gz IBLYFKSPGPEXQJ-UHFFFAOYSA-N 0 0 409.261 4.118 20 5 HIBDRN Cc1ccc(NCCCNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])nc1 ZINC000442686452 867620202 /nfs/dbraw/zinc/62/02/02/867620202.db2.gz YXCSBBUPESCEJL-UHFFFAOYSA-N 0 0 422.510 4.681 20 5 HIBDRN C[C@H](CO)N(CC1CCC1)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442746031 867661641 /nfs/dbraw/zinc/66/16/41/867661641.db2.gz QOZMACCLWQPULE-OAHLLOKOSA-N 0 0 400.500 4.369 20 5 HIBDRN O=C(NCC1(CO)CC2(CCC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442816903 867685055 /nfs/dbraw/zinc/68/50/55/867685055.db2.gz YOSKYTBKPVGUSF-UHFFFAOYSA-N 0 0 412.511 4.419 20 5 HIBDRN C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)c1ccc(S(C)(=O)=O)cc1 ZINC000442896237 867726283 /nfs/dbraw/zinc/72/62/83/867726283.db2.gz BUEHBQYLCJBKTH-AWEZNQCLSA-N 0 0 424.547 4.344 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1[N+](=O)[O-] ZINC000442918672 867741497 /nfs/dbraw/zinc/74/14/97/867741497.db2.gz CWACGKIHPFGOLF-IAGOWNOFSA-N 0 0 402.472 4.251 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000442927025 867743836 /nfs/dbraw/zinc/74/38/36/867743836.db2.gz YNZOKZKJVLSFCD-JSNMRZPZSA-N 0 0 416.499 4.396 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000442932886 867749235 /nfs/dbraw/zinc/74/92/35/867749235.db2.gz CYHZKOXQMZOPFD-QZTJIDSGSA-N 0 0 404.850 4.491 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2)n1 ZINC000443108177 867821349 /nfs/dbraw/zinc/82/13/49/867821349.db2.gz IFXGMANSLHQSIK-OAHLLOKOSA-N 0 0 412.877 4.471 20 5 HIBDRN C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)s1 ZINC000443338893 867912785 /nfs/dbraw/zinc/91/27/85/867912785.db2.gz XGLWNUQUBWGJHE-SECBINFHSA-N 0 0 409.265 4.320 20 5 HIBDRN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)[C@@H]1CO ZINC000443397676 867956969 /nfs/dbraw/zinc/95/69/69/867956969.db2.gz ZLSHTEYWQLPELJ-YVEFUNNKSA-N 0 0 406.891 4.242 20 5 HIBDRN Cc1sc(CCNC(=O)CCOc2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000443538146 868095816 /nfs/dbraw/zinc/09/58/16/868095816.db2.gz BSLXSBWRKCXQED-UHFFFAOYSA-N 0 0 411.483 4.155 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] ZINC000443566752 868121676 /nfs/dbraw/zinc/12/16/76/868121676.db2.gz NFXPOPRSSVEQLK-UHFFFAOYSA-N 0 0 414.359 4.061 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443650955 868246488 /nfs/dbraw/zinc/24/64/88/868246488.db2.gz QMYIGGRULCCCKK-KGLIPLIRSA-N 0 0 412.421 4.082 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H](Cc2ccccc2)c2cccs2)c1 ZINC000443751300 868322109 /nfs/dbraw/zinc/32/21/09/868322109.db2.gz AHFLKUFPONNMGQ-GOSISDBHSA-N 0 0 402.497 4.060 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(Cc2ccccc2)n1 ZINC000443803595 868340413 /nfs/dbraw/zinc/34/04/13/868340413.db2.gz AQZGWKRESBWBCX-UHFFFAOYSA-N 0 0 404.348 4.419 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000443824808 868356988 /nfs/dbraw/zinc/35/69/88/868356988.db2.gz LRSMVQBRDURZDU-INIZCTEOSA-N 0 0 424.375 4.426 20 5 HIBDRN CC(=O)N1CCC(CCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)CC1 ZINC000443839283 868369770 /nfs/dbraw/zinc/36/97/70/868369770.db2.gz KYRAEYMOBLIHIY-UHFFFAOYSA-N 0 0 416.503 4.004 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1CC(=O)c1ccccc1 ZINC000443851459 868382711 /nfs/dbraw/zinc/38/27/11/868382711.db2.gz OCMGXRUAMBDTFT-YOEHRIQHSA-N 0 0 416.861 4.280 20 5 HIBDRN Cn1ccnc1[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000443853192 868383173 /nfs/dbraw/zinc/38/31/73/868383173.db2.gz MVUCWBVDBJURIB-INIZCTEOSA-N 0 0 422.338 4.006 20 5 HIBDRN Cc1nc(CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cs1 ZINC000443855093 868385900 /nfs/dbraw/zinc/38/59/00/868385900.db2.gz PINPKVPIFJIWCL-UHFFFAOYSA-N 0 0 414.462 4.168 20 5 HIBDRN Cc1cccc(Cn2nccc2NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000443863868 868396318 /nfs/dbraw/zinc/39/63/18/868396318.db2.gz YSKDOHPMHSXUPP-UHFFFAOYSA-N 0 0 404.348 4.419 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1c(F)cc(Br)cc1F ZINC000443881119 868416506 /nfs/dbraw/zinc/41/65/06/868416506.db2.gz GSABRHDCVIKAPW-UHFFFAOYSA-N 0 0 405.582 4.470 20 5 HIBDRN O=C(Nc1c(F)cc(Br)cc1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000443883536 868420274 /nfs/dbraw/zinc/42/02/74/868420274.db2.gz UZGIBFKYNJUZLL-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN CC[C@@H](C(=O)OC)N(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000443887491 868423949 /nfs/dbraw/zinc/42/39/49/868423949.db2.gz WHAOEXJIHZCOGS-HNNXBMFYSA-N 0 0 410.348 4.212 20 5 HIBDRN C[C@@H]1CC[C@@H](CCC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)O1 ZINC000443893537 868429669 /nfs/dbraw/zinc/42/96/69/868429669.db2.gz AQLLFAPXDMZBFI-PBHICJAKSA-N 0 0 410.430 4.327 20 5 HIBDRN O=C(Nc1ccnn1Cc1ccccc1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443892898 868429921 /nfs/dbraw/zinc/42/99/21/868429921.db2.gz AJSZOCVDOPPMLK-UHFFFAOYSA-N 0 0 408.311 4.250 20 5 HIBDRN O=C(CCC1CCOCC1)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 ZINC000443895744 868432458 /nfs/dbraw/zinc/43/24/58/868432458.db2.gz GNBRORASZPCBGR-UHFFFAOYSA-N 0 0 410.430 4.186 20 5 HIBDRN COc1ccc(CN(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1OC(F)F ZINC000443944032 868480486 /nfs/dbraw/zinc/48/04/86/868480486.db2.gz FWWUOAQTUNMIQC-UHFFFAOYSA-N 0 0 409.389 4.486 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000443945191 868480550 /nfs/dbraw/zinc/48/05/50/868480550.db2.gz IMSAPCQCPUVIKW-MRXNPFEDSA-N 0 0 410.434 4.175 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443946451 868482532 /nfs/dbraw/zinc/48/25/32/868482532.db2.gz MICCAVFFRXMRSW-UHFFFAOYSA-N 0 0 407.474 4.395 20 5 HIBDRN O=C(N[C@H]1CCOc2ccc(F)cc21)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444003533 868524568 /nfs/dbraw/zinc/52/45/68/868524568.db2.gz JKKGJQBRFXYEJO-SFHVURJKSA-N 0 0 406.388 4.213 20 5 HIBDRN CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444012175 868534648 /nfs/dbraw/zinc/53/46/48/868534648.db2.gz VDPAMZZFHZCAJR-HNNXBMFYSA-N 0 0 414.452 4.381 20 5 HIBDRN CS[C@H]1CCC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444021997 868548470 /nfs/dbraw/zinc/54/84/70/868548470.db2.gz PNSUQXRADLZEGB-OLZOCXBDSA-N 0 0 402.466 4.364 20 5 HIBDRN Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444025509 868554534 /nfs/dbraw/zinc/55/45/34/868554534.db2.gz UJDHATRTCDVOKG-SSEXGKCCSA-N 0 0 422.481 4.260 20 5 HIBDRN Cc1c(C[S@](C)=O)cccc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444025508 868555070 /nfs/dbraw/zinc/55/50/70/868555070.db2.gz UJDHATRTCDVOKG-PMERELPUSA-N 0 0 422.481 4.260 20 5 HIBDRN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444039988 868578177 /nfs/dbraw/zinc/57/81/77/868578177.db2.gz VLAQHZSDJJJITI-PEBXRYMYSA-N 0 0 410.489 4.392 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444079570 868605272 /nfs/dbraw/zinc/60/52/72/868605272.db2.gz YAWGPMYBZNHCTO-QKKBWIMNSA-N 0 0 404.416 4.321 20 5 HIBDRN C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Oc1cccc(F)c1 ZINC000444092838 868612725 /nfs/dbraw/zinc/61/27/25/868612725.db2.gz GKJHMPBHSRVFFN-CYBMUJFWSA-N 0 0 408.404 4.157 20 5 HIBDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444097944 868615669 /nfs/dbraw/zinc/61/56/69/868615669.db2.gz DNQCWJUQSSZXCT-JGVYIQDASA-N 0 0 418.518 4.252 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C12CCCC2 ZINC000444113885 868624982 /nfs/dbraw/zinc/62/49/82/868624982.db2.gz HUUQTIVBGBTREK-RBUKOAKNSA-N 0 0 408.473 4.288 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](COCc2ccccc2)C1 ZINC000444173113 868648944 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871890922 /nfs/dbraw/zinc/89/09/22/871890922.db2.gz ZEQLBDVZSRNWGB-UHFFFAOYSA-N 0 0 410.655 4.012 20 5 HIBDRN CCOC(=O)c1cn(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1C(F)(F)F ZINC000448095968 871935492 /nfs/dbraw/zinc/93/54/92/871935492.db2.gz DDWUZTIJLVJYAQ-UHFFFAOYSA-N 0 0 411.258 4.054 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000448095856 871936252 /nfs/dbraw/zinc/93/62/52/871936252.db2.gz CSLUKEQIIAVGJB-HXUWFJFHSA-N 0 0 411.508 4.318 20 5 HIBDRN O=[N+]([O-])c1ccc(CSc2nnc(NCC(F)(F)F)s2)c(C(F)(F)F)c1 ZINC000448106871 871954611 /nfs/dbraw/zinc/95/46/11/871954611.db2.gz GRVBNYQAIAQIJZ-UHFFFAOYSA-N 0 0 418.344 4.732 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000448133259 872007063 /nfs/dbraw/zinc/00/70/63/872007063.db2.gz ATBQAIKJNHOILZ-AWEZNQCLSA-N 0 0 402.472 4.083 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000448188805 872070659 /nfs/dbraw/zinc/07/06/59/872070659.db2.gz CSZPBKDOUIXVHJ-NVXWUHKLSA-N 0 0 424.526 4.317 20 5 HIBDRN Cc1csc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1I ZINC000468556786 882603283 /nfs/dbraw/zinc/60/32/83/882603283.db2.gz UUEQITHNNMSPCS-UHFFFAOYSA-N 0 0 416.240 4.438 20 5 HIBDRN CC(C)(OCC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])C(F)(F)F ZINC000448395720 872340889 /nfs/dbraw/zinc/34/08/89/872340889.db2.gz OIVMHKFSOCKIOW-UHFFFAOYSA-N 0 0 412.364 4.470 20 5 HIBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000468558852 882607226 /nfs/dbraw/zinc/60/72/26/882607226.db2.gz FMZVXIGEZUASML-OAHLLOKOSA-N 0 0 422.254 4.213 20 5 HIBDRN COc1cc2c(cc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)O[C@@H](C)C2 ZINC000448529144 872526709 /nfs/dbraw/zinc/52/67/09/872526709.db2.gz PZTPNAPDYPWRMB-HNNXBMFYSA-N 0 0 413.474 4.047 20 5 HIBDRN CCC[C@@H](C)N(C(=O)c1cc([N+](=O)[O-])cnc1C)c1nc(C)c(C(=O)OCC)s1 ZINC000460109200 872573706 /nfs/dbraw/zinc/57/37/06/872573706.db2.gz GHJCMJTUCAZJBZ-LLVKDONJSA-N 0 0 420.491 4.075 20 5 HIBDRN CCC[C@H](C)N(C(=O)Cc1cccc([N+](=O)[O-])c1)c1nc(C)c(C(=O)OCC)s1 ZINC000460117066 872586723 /nfs/dbraw/zinc/58/67/23/872586723.db2.gz ZHQFDMZMEIVZIK-ZDUSSCGKSA-N 0 0 419.503 4.301 20 5 HIBDRN COc1cc(-c2nc(-c3ccccc3Br)no2)cc([N+](=O)[O-])c1OC ZINC000460145700 872657519 /nfs/dbraw/zinc/65/75/19/872657519.db2.gz JVDVTIFREYHKCW-UHFFFAOYSA-N 0 0 406.192 4.092 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC000460174639 872732554 /nfs/dbraw/zinc/73/25/54/872732554.db2.gz OBOBTBKCRPQXGF-UHFFFAOYSA-N 0 0 407.401 4.096 20 5 HIBDRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000460183913 872747836 /nfs/dbraw/zinc/74/78/36/872747836.db2.gz NDSBSSYHACPROM-UHFFFAOYSA-N 0 0 407.220 4.095 20 5 HIBDRN C[C@@H]1CCN(C)c2ccccc2N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000460202996 872780595 /nfs/dbraw/zinc/78/05/95/872780595.db2.gz HJZXCJWMUKGKBM-CQSZACIVSA-N 0 0 403.866 4.279 20 5 HIBDRN CSc1ccc(C(=O)N(CC(=O)OC(C)(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000460210469 872794115 /nfs/dbraw/zinc/79/41/15/872794115.db2.gz BAFYBZODNIRZFV-UHFFFAOYSA-N 0 0 402.472 4.305 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC=C(c2c(F)cccc2F)CC1 ZINC000460216651 872802212 /nfs/dbraw/zinc/80/22/12/872802212.db2.gz ONHXLHJYIXBTJU-UHFFFAOYSA-N 0 0 411.412 4.445 20 5 HIBDRN Cc1c(CSC(C)C)cccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000460259737 872848464 /nfs/dbraw/zinc/84/84/64/872848464.db2.gz VGTIYJCFVMUXFP-UHFFFAOYSA-N 0 0 411.487 4.378 20 5 HIBDRN O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000460262880 872853264 /nfs/dbraw/zinc/85/32/64/872853264.db2.gz MNUPPTKEVPJSIE-UHFFFAOYSA-N 0 0 417.425 4.069 20 5 HIBDRN CCn1c(CCc2ccc(OC)cc2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000460271717 872860920 /nfs/dbraw/zinc/86/09/20/872860920.db2.gz YPWATAMHGSZMJU-UHFFFAOYSA-N 0 0 421.501 4.169 20 5 HIBDRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000460274150 872863552 /nfs/dbraw/zinc/86/35/52/872863552.db2.gz HITCEHUNOHTBGN-UHFFFAOYSA-N 0 0 413.293 4.268 20 5 HIBDRN C[C@H]1CN(C)c2ccccc2N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000460332033 872935540 /nfs/dbraw/zinc/93/55/40/872935540.db2.gz CELQLUNMIDQWAK-SFHVURJKSA-N 0 0 411.505 4.274 20 5 HIBDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000460332031 872937145 /nfs/dbraw/zinc/93/71/45/872937145.db2.gz CELQLUNMIDQWAK-GOSISDBHSA-N 0 0 411.505 4.274 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)Nc2cccc3nccn32)cc1[N+](=O)[O-])c1ccccn1 ZINC000460343434 872958251 /nfs/dbraw/zinc/95/82/51/872958251.db2.gz NJZIWRBKWCIXPX-CQSZACIVSA-N 0 0 402.414 4.063 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000460343963 872959710 /nfs/dbraw/zinc/95/97/10/872959710.db2.gz UNOMBWVLQXBRCV-UHFFFAOYSA-N 0 0 424.423 4.219 20 5 HIBDRN O=C(c1cccc(OCc2cccnc2)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460360002 872987497 /nfs/dbraw/zinc/98/74/97/872987497.db2.gz PQGXMQBZJXBLIU-JOCHJYFZSA-N 0 0 421.478 4.457 20 5 HIBDRN COc1cccc(-n2c(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nc3ccccc32)c1 ZINC000460391006 873037559 /nfs/dbraw/zinc/03/75/59/873037559.db2.gz XOJIIBREDOLYLP-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Oc1ccccc1Cl ZINC000460418383 873076481 /nfs/dbraw/zinc/07/64/81/873076481.db2.gz FTMZCGRNPAYZHW-OAHLLOKOSA-N 0 0 417.893 4.048 20 5 HIBDRN COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000460466740 873150239 /nfs/dbraw/zinc/15/02/39/873150239.db2.gz DTKWSWRMFWPCKG-UHFFFAOYSA-N 0 0 417.849 4.196 20 5 HIBDRN C[C@@H](CCc1cccn1C)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000460473533 873160290 /nfs/dbraw/zinc/16/02/90/873160290.db2.gz TVXBXWXYPNPWSD-LBPRGKRZSA-N 0 0 415.437 4.182 20 5 HIBDRN Cn1c(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)ccc1[N+](=O)[O-] ZINC000460477086 873163588 /nfs/dbraw/zinc/16/35/88/873163588.db2.gz RGCTVRQGENJOLZ-UHFFFAOYSA-N 0 0 420.347 4.069 20 5 HIBDRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000460489087 873175493 /nfs/dbraw/zinc/17/54/93/873175493.db2.gz KGJHHVAHAZERNU-UHFFFAOYSA-N 0 0 403.866 4.205 20 5 HIBDRN Cc1cc(-c2cc(C(=O)NCCc3ccccc3[N+](=O)[O-])c3c(C)noc3n2)c(C)o1 ZINC000460507449 873193636 /nfs/dbraw/zinc/19/36/36/873193636.db2.gz LIFYZHZEZBGSSX-UHFFFAOYSA-N 0 0 420.425 4.289 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](COCc2ccccc2)C1 ZINC000460525513 873216499 /nfs/dbraw/zinc/21/64/99/873216499.db2.gz OCGOOMQYMOTWBE-OAHLLOKOSA-N 0 0 419.275 4.036 20 5 HIBDRN CO[C@H]1CCCC[C@H]1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000460555608 873272271 /nfs/dbraw/zinc/27/22/71/873272271.db2.gz FMTCPMNALPVUIN-HIFRSBDPSA-N 0 0 407.517 4.198 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@H](C)CO2)c1 ZINC000460556864 873276623 /nfs/dbraw/zinc/27/66/23/873276623.db2.gz VUDFHNRIHPUJET-QRWLVFNGSA-N 0 0 402.878 4.396 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000460572296 873307480 /nfs/dbraw/zinc/30/74/80/873307480.db2.gz BIRROVWXJNLUCS-CILWKZBWSA-N 0 0 404.850 4.393 20 5 HIBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(c2ccccc2)CC1 ZINC000460612819 873354958 /nfs/dbraw/zinc/35/49/58/873354958.db2.gz JAOFETPLJVJUBF-UHFFFAOYSA-N 0 0 420.517 4.226 20 5 HIBDRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000460673117 873418996 /nfs/dbraw/zinc/41/89/96/873418996.db2.gz UZFOFEHSQZYJBU-INIZCTEOSA-N 0 0 415.515 4.179 20 5 HIBDRN COCC[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)C1 ZINC000460737164 873560878 /nfs/dbraw/zinc/56/08/78/873560878.db2.gz OWJDSIBTRXUQRZ-KRWDZBQOSA-N 0 0 401.511 4.152 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1 ZINC000460741035 873568094 /nfs/dbraw/zinc/56/80/94/873568094.db2.gz ZGDBVBDEFAXKSD-GOSISDBHSA-N 0 0 405.857 4.263 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H]1CCc2ccccc21 ZINC000460788757 873650856 /nfs/dbraw/zinc/65/08/56/873650856.db2.gz AKHSHDUOJLLQHV-NRFANRHFSA-N 0 0 421.501 4.404 20 5 HIBDRN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000460863620 873768215 /nfs/dbraw/zinc/76/82/15/873768215.db2.gz VXBIDAUGKYBUJF-IERDGZPVSA-N 0 0 416.452 4.471 20 5 HIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460974937 873869349 /nfs/dbraw/zinc/86/93/49/873869349.db2.gz ZOXMQONJAJOCRU-QGZVFWFLSA-N 0 0 421.284 4.492 20 5 HIBDRN CC[C@@H]1CCCN(C(=O)c2cc(C(=O)N3CCC[C@H](CC)C3)cc([N+](=O)[O-])c2)C1 ZINC000461023303 873890039 /nfs/dbraw/zinc/89/00/39/873890039.db2.gz SITBRGBRMJYZPK-CALCHBBNSA-N 0 0 401.507 4.119 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000461026583 873892398 /nfs/dbraw/zinc/89/23/98/873892398.db2.gz GVHCPDIQIPOTAF-AVRDEDQJSA-N 0 0 408.498 4.374 20 5 HIBDRN Cc1nc(C)c(CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000461029664 873893695 /nfs/dbraw/zinc/89/36/95/873893695.db2.gz ROZQZFHXPDJXSI-BETUJISGSA-N 0 0 402.520 4.080 20 5 HIBDRN Cc1nc(C)c(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000461029666 873894048 /nfs/dbraw/zinc/89/40/48/873894048.db2.gz ROZQZFHXPDJXSI-STQMWFEESA-N 0 0 402.520 4.080 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000461088191 874001129 /nfs/dbraw/zinc/00/11/29/874001129.db2.gz NYFFNDXTVLLNFP-HYVNUMGLSA-N 0 0 421.284 4.113 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CC4(CC4)c4ccccc43)n2C[C@H]2CCCO2)c1 ZINC000461124888 874054207 /nfs/dbraw/zinc/05/42/07/874054207.db2.gz KLPFECHGFCQZAH-GOSISDBHSA-N 0 0 417.469 4.216 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@H]3c3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000461129028 874063108 /nfs/dbraw/zinc/06/31/08/874063108.db2.gz MNMPHSVGNPGYQM-NHCUHLMSSA-N 0 0 419.485 4.374 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@H]3C3CCCC3)n2C[C@@H]2CCCO2)cc1 ZINC000461176491 874154532 /nfs/dbraw/zinc/15/45/32/874154532.db2.gz XUCRURUFTJLUQU-PMACEKPBSA-N 0 0 411.506 4.191 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC(C)(C2CC2)CC1 ZINC000461192892 874188254 /nfs/dbraw/zinc/18/82/54/874188254.db2.gz LFMGDVKHHSZUJA-GOSISDBHSA-N 0 0 421.925 4.041 20 5 HIBDRN Cc1nn(CCC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)c(C)c1[N+](=O)[O-] ZINC000461206779 874207555 /nfs/dbraw/zinc/20/75/55/874207555.db2.gz JELWATQTMVQINI-UHFFFAOYSA-N 0 0 424.423 4.055 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@@H]3OC)cc1SC ZINC000468689711 882813797 /nfs/dbraw/zinc/81/37/97/882813797.db2.gz VISIYQSBACQCNZ-HNNXBMFYSA-N 0 0 404.444 4.048 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2cccnc2)n1Cc1cccs1 ZINC000461330588 874342199 /nfs/dbraw/zinc/34/21/99/874342199.db2.gz IGJJNROTYSTUBI-UHFFFAOYSA-N 0 0 420.498 4.037 20 5 HIBDRN CO[C@@H]1CCOc2c(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cccc21 ZINC000468696869 882818401 /nfs/dbraw/zinc/81/84/01/882818401.db2.gz YLPNLONYRNSKHN-JOCHJYFZSA-N 0 0 414.461 4.263 20 5 HIBDRN O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461382830 874388524 /nfs/dbraw/zinc/38/85/24/874388524.db2.gz CBRXMSLBFOGABU-UHFFFAOYSA-N 0 0 421.434 4.499 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000461388565 874395618 /nfs/dbraw/zinc/39/56/18/874395618.db2.gz PYRDPJHDTUJVMN-AWEZNQCLSA-N 0 0 412.877 4.249 20 5 HIBDRN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461397718 874408355 /nfs/dbraw/zinc/40/83/55/874408355.db2.gz HGCJOFWVMTXLFN-UHFFFAOYSA-N 0 0 415.858 4.407 20 5 HIBDRN C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000461402567 874414754 /nfs/dbraw/zinc/41/47/54/874414754.db2.gz MWBZSTGDDGGNJR-FXAWDEMLSA-N 0 0 404.507 4.472 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461411440 874426683 /nfs/dbraw/zinc/42/66/83/874426683.db2.gz YTAIMNWQVBITHP-IAGOWNOFSA-N 0 0 406.360 4.138 20 5 HIBDRN COc1c(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c(C)nn1C ZINC000461414151 874431253 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4.072 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(c2nnc(-c3ccc[nH]3)n2Cc2cccs2)C2CC2)c1 ZINC000461482281 874541903 /nfs/dbraw/zinc/54/19/03/874541903.db2.gz PBGKWBBZJHUUQI-UHFFFAOYSA-N 0 0 420.498 4.460 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H]3c3ccccc3)n2C[C@H]2CCOC2)c1 ZINC000461525920 874610861 /nfs/dbraw/zinc/61/08/61/874610861.db2.gz REPCLEJKMAZHKH-UTKZUKDTSA-N 0 0 419.485 4.231 20 5 HIBDRN CCO[C@H]1C[C@@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C12CCCCC2 ZINC000461544119 874631156 /nfs/dbraw/zinc/63/11/56/874631156.db2.gz LCQPHDURFGNKKG-MSOLQXFVSA-N 0 0 408.520 4.183 20 5 HIBDRN CS(=O)(=O)Cc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1F ZINC000468766547 882850153 /nfs/dbraw/zinc/85/01/53/882850153.db2.gz ARPASWJPQNRFRP-UHFFFAOYSA-N 0 0 408.454 4.324 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000461586024 874697112 /nfs/dbraw/zinc/69/71/12/874697112.db2.gz COIVDOFQKBYESD-MRXNPFEDSA-N 0 0 410.499 4.367 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)n1 ZINC000461589888 874706705 /nfs/dbraw/zinc/70/67/05/874706705.db2.gz XBYCRXCQHYTDDH-HNNXBMFYSA-N 0 0 403.442 4.370 20 5 HIBDRN O=C(C[C@H]1CCCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000468791783 882862143 /nfs/dbraw/zinc/86/21/43/882862143.db2.gz BZXMRFLINRFRMA-CQSZACIVSA-N 0 0 423.425 4.099 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CC4(CC4)c4ccccc43)n2C[C@H]2CCOC2)cc1 ZINC000461640508 874800062 /nfs/dbraw/zinc/80/00/62/874800062.db2.gz OAPGFBQJPPYJHV-MRXNPFEDSA-N 0 0 417.469 4.073 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N(CC3CC3)C3CCC3)n2C[C@@H]2CCCCO2)cc1 ZINC000461669309 874820981 /nfs/dbraw/zinc/82/09/81/874820981.db2.gz PFFXUEJSQMMZDA-FQEVSTJZSA-N 0 0 411.506 4.191 20 5 HIBDRN COC[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000461719898 874869211 /nfs/dbraw/zinc/86/92/11/874869211.db2.gz SQCIQURMVKHQJD-GOSISDBHSA-N 0 0 403.866 4.310 20 5 HIBDRN 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ZINC000461890456 875039737 /nfs/dbraw/zinc/03/97/37/875039737.db2.gz ROZUUZAURWZJKO-LJQANCHMSA-N 0 0 405.292 4.179 20 5 HIBDRN Cc1cc(N2CCC[C@H](CNC(=O)c3ccco3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461944879 875078422 /nfs/dbraw/zinc/07/84/22/875078422.db2.gz CFPGMPKOLCYRSL-CYBMUJFWSA-N 0 0 411.380 4.161 20 5 HIBDRN Cc1cc(NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c(F)cc1[N+](=O)[O-] ZINC000461949426 875080994 /nfs/dbraw/zinc/08/09/94/875080994.db2.gz QDPVFPJULABZQX-UHFFFAOYSA-N 0 0 406.357 4.077 20 5 HIBDRN Cc1cc(Oc2nc3sccn3c2[N+](=O)[O-])ccc1I ZINC000462105482 875212730 /nfs/dbraw/zinc/21/27/30/875212730.db2.gz UIEYRBHXYWUZLG-UHFFFAOYSA-N 0 0 401.185 4.009 20 5 HIBDRN CN(C(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000462118911 875221767 /nfs/dbraw/zinc/22/17/67/875221767.db2.gz WKCASHIBQDQUQW-IEBWSBKVSA-N 0 0 401.260 4.224 20 5 HIBDRN CSc1ccc(N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462150862 875247254 /nfs/dbraw/zinc/24/72/54/875247254.db2.gz 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O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000463299720 876361992 /nfs/dbraw/zinc/36/19/92/876361992.db2.gz GMYQYFWGAHEBBU-JCNLHEQBSA-N 0 0 418.291 4.145 20 5 HIBDRN CCCC(=O)Nc1ccc(OCc2cc(OC)c(F)cc2[N+](=O)[O-])c(C(C)=O)c1 ZINC000463325766 876381492 /nfs/dbraw/zinc/38/14/92/876381492.db2.gz HOKQBVBBHLLBTL-UHFFFAOYSA-N 0 0 404.394 4.263 20 5 HIBDRN CN(CCOc1ccccc1Cl)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463366471 876421598 /nfs/dbraw/zinc/42/15/98/876421598.db2.gz HVXYIKDLBLPDNC-UHFFFAOYSA-N 0 0 402.756 4.418 20 5 HIBDRN O=C(NCCSCc1ccccc1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463374294 876429526 /nfs/dbraw/zinc/42/95/26/876429526.db2.gz GFDCBIUEEVONAP-UHFFFAOYSA-N 0 0 402.369 4.416 20 5 HIBDRN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463399353 876452884 /nfs/dbraw/zinc/45/28/84/876452884.db2.gz YHOUBPMDPWXOLA-UHFFFAOYSA-N 0 0 407.348 4.067 20 5 HIBDRN O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000463403090 876457800 /nfs/dbraw/zinc/45/78/00/876457800.db2.gz ZKIUAZPERVHIAE-UHFFFAOYSA-N 0 0 420.444 4.122 20 5 HIBDRN COc1cc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000463482306 876540033 /nfs/dbraw/zinc/54/00/33/876540033.db2.gz JJJQHUYMRSVOEY-FUHWJXTLSA-N 0 0 415.248 4.139 20 5 HIBDRN Cc1cc(NC(=O)c2cc3c(C(C)C)nn(C)c3s2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463557932 876645038 /nfs/dbraw/zinc/64/50/38/876645038.db2.gz ZTZIWLOSMIAVPW-UHFFFAOYSA-N 0 0 424.486 4.413 20 5 HIBDRN CC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000463582577 876683450 /nfs/dbraw/zinc/68/34/50/876683450.db2.gz LXAGDQCTHNVXJW-UHFFFAOYSA-N 0 0 410.348 4.050 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000463587209 876692092 /nfs/dbraw/zinc/69/20/92/876692092.db2.gz HAFIHOVPBWLCPK-UWVGGRQHSA-N 0 0 402.275 4.356 20 5 HIBDRN CC(=O)N1CCCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc21 ZINC000463649623 876769183 /nfs/dbraw/zinc/76/91/83/876769183.db2.gz OBPCXTUUDNXNJR-UHFFFAOYSA-N 0 0 407.348 4.165 20 5 HIBDRN C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463694064 876814499 /nfs/dbraw/zinc/81/44/99/876814499.db2.gz AEGXOPKVTRCYRV-CYBMUJFWSA-N 0 0 411.439 4.271 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000463715222 876834825 /nfs/dbraw/zinc/83/48/25/876834825.db2.gz HADYQYKRIPECSZ-OCCSQVGLSA-N 0 0 417.384 4.275 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1OC ZINC000463953960 877075025 /nfs/dbraw/zinc/07/50/25/877075025.db2.gz WTAYZSSROKWZLE-CYBMUJFWSA-N 0 0 401.463 4.229 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000463956196 877078013 /nfs/dbraw/zinc/07/80/13/877078013.db2.gz XTQLHZWOBGQLBA-HNNXBMFYSA-N 0 0 418.444 4.401 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000463956197 877078919 /nfs/dbraw/zinc/07/89/19/877078919.db2.gz XTQLHZWOBGQLBA-OAHLLOKOSA-N 0 0 418.444 4.401 20 5 HIBDRN COCCOc1ccc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1OC ZINC000463958814 877083307 /nfs/dbraw/zinc/08/33/07/877083307.db2.gz NKCMNDPSMPXOSE-HNNXBMFYSA-N 0 0 417.462 4.128 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000464024463 877159732 /nfs/dbraw/zinc/15/97/32/877159732.db2.gz OSRAPPZTVBJETB-UHFFFAOYSA-N 0 0 424.284 4.206 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000464035276 877172504 /nfs/dbraw/zinc/17/25/04/877172504.db2.gz ZICCKCHIJGANEJ-UHFFFAOYSA-N 0 0 417.465 4.476 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000464044763 877184826 /nfs/dbraw/zinc/18/48/26/877184826.db2.gz SZCVMIGEPCBEOE-SMNXXWJPSA-N 0 0 415.877 4.317 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000464050753 877192429 /nfs/dbraw/zinc/19/24/29/877192429.db2.gz NKHLRYDYZYZALS-LLVKDONJSA-N 0 0 424.284 4.204 20 5 HIBDRN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000464052616 877193572 /nfs/dbraw/zinc/19/35/72/877193572.db2.gz RCOLOOBTPCUMEN-IRLDBZIGSA-N 0 0 404.470 4.497 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000464056899 877201228 /nfs/dbraw/zinc/20/12/28/877201228.db2.gz WEFNZSIIGVUUQA-IBGZPJMESA-N 0 0 415.877 4.461 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000469037112 883108625 /nfs/dbraw/zinc/10/86/25/883108625.db2.gz QTRLVDCJFGVBNV-UHFFFAOYSA-N 0 0 418.418 4.056 20 5 HIBDRN Cc1n[nH]c(C(=O)NCC2(c3cccc(Br)c3)CCCCC2)c1[N+](=O)[O-] ZINC000464139016 877301618 /nfs/dbraw/zinc/30/16/18/877301618.db2.gz VFRZONMOSSYXIZ-UHFFFAOYSA-N 0 0 421.295 4.021 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000464138355 877302941 /nfs/dbraw/zinc/30/29/41/877302941.db2.gz GNXPKWIUKZBELB-OAHLLOKOSA-N 0 0 401.511 4.238 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000464143072 877308829 /nfs/dbraw/zinc/30/88/29/877308829.db2.gz WDAAKHJPTBEGFP-OAHLLOKOSA-N 0 0 416.526 4.026 20 5 HIBDRN CN(C(=O)c1cccc2c1CC(=O)CC2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000464278899 877465339 /nfs/dbraw/zinc/46/53/39/877465339.db2.gz KAIBPTGXECVIFT-UHFFFAOYSA-N 0 0 407.451 4.053 20 5 HIBDRN NC(=O)C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)c1cccc(Cl)c1 ZINC000464280569 877467452 /nfs/dbraw/zinc/46/74/52/877467452.db2.gz ZHDMBPAOHBVGLH-HXUWFJFHSA-N 0 0 403.869 4.388 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000503258825 912238592 /nfs/dbraw/zinc/23/85/92/912238592.db2.gz SBLAQTGMPVKETD-CQSZACIVSA-N 0 0 406.236 4.311 20 5 HIBDRN CCOc1cc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000464326919 877517115 /nfs/dbraw/zinc/51/71/15/877517115.db2.gz YADXDONNHHOEHI-OAHLLOKOSA-N 0 0 416.499 4.257 20 5 HIBDRN CN([C@@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000464406942 877611185 /nfs/dbraw/zinc/61/11/85/877611185.db2.gz WUDCJFSNDJODBB-AWEZNQCLSA-N 0 0 408.785 4.172 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)CC2)c2ncccc12 ZINC000464426106 877636826 /nfs/dbraw/zinc/63/68/26/877636826.db2.gz LSNAZVYODHHUQG-KRWDZBQOSA-N 0 0 411.483 4.101 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccoc2)C2CCCCC2)c2ncccc12 ZINC000464426782 877638243 /nfs/dbraw/zinc/63/82/43/877638243.db2.gz KZITWFANSBVGFI-UHFFFAOYSA-N 0 0 415.471 4.260 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 ZINC000464428066 877638304 /nfs/dbraw/zinc/63/83/04/877638304.db2.gz KSIVCYSIEZRSTC-MAUKXSAKSA-N 0 0 408.483 4.103 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000464449978 877666176 /nfs/dbraw/zinc/66/61/76/877666176.db2.gz VCDQOMNRWIIADB-ZDUSSCGKSA-N 0 0 420.535 4.084 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000464454471 877672948 /nfs/dbraw/zinc/67/29/48/877672948.db2.gz HGIVXGWJQTWMCC-JTQLQIEISA-N 0 0 401.216 4.078 20 5 HIBDRN Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)nc2c1cccc2Cl ZINC000464457242 877677760 /nfs/dbraw/zinc/67/77/60/877677760.db2.gz AVHOVYPQJYBOQI-UHFFFAOYSA-N 0 0 409.627 4.150 20 5 HIBDRN COc1cc(CN2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000464484244 877703490 /nfs/dbraw/zinc/70/34/90/877703490.db2.gz BMAFHFVXFNGEOI-HNNXBMFYSA-N 0 0 417.485 4.288 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)[C@@H]1c1ccccc1 ZINC000464540483 877756396 /nfs/dbraw/zinc/75/63/96/877756396.db2.gz KHXHZXOSKYJGIY-BZNIZROVSA-N 0 0 422.222 4.033 20 5 HIBDRN O=C(NCCCCC1CCCC1)c1ccc([N+](=O)[O-])cc1I ZINC000464549952 877765677 /nfs/dbraw/zinc/76/56/77/877765677.db2.gz NMBZXDRRIIWBEP-UHFFFAOYSA-N 0 0 416.259 4.290 20 5 HIBDRN O=C(Nc1ccccc1S(=O)(=O)C1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000464572399 877793738 /nfs/dbraw/zinc/79/37/38/877793738.db2.gz RZWQHPBWIDTSJG-UHFFFAOYSA-N 0 0 408.863 4.217 20 5 HIBDRN O=C(Nc1nc2cc(Br)ccc2[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000464579196 877802929 /nfs/dbraw/zinc/80/29/29/877802929.db2.gz ZZRWJCUFBXNZLB-UHFFFAOYSA-N 0 0 416.235 4.060 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC000464581025 877804197 /nfs/dbraw/zinc/80/41/97/877804197.db2.gz MBOQERHHLQDDOX-SECBINFHSA-N 0 0 421.276 4.353 20 5 HIBDRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000464597504 877824294 /nfs/dbraw/zinc/82/42/94/877824294.db2.gz IAISZDOINXYHSO-GOSISDBHSA-N 0 0 402.878 4.421 20 5 HIBDRN O=C([C@H]1CCCC[C@H]1C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464628613 877846210 /nfs/dbraw/zinc/84/62/10/877846210.db2.gz OOQNLGQLLBGKEF-DLBZAZTESA-N 0 0 400.397 4.333 20 5 HIBDRN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(Br)cc1 ZINC000464632103 877849046 /nfs/dbraw/zinc/84/90/46/877849046.db2.gz VUDVGNXTENZBOZ-SNVBAGLBSA-N 0 0 413.655 4.208 20 5 HIBDRN C[C@H](CCc1cccc(F)c1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464633801 877851077 /nfs/dbraw/zinc/85/10/77/877851077.db2.gz BVCLXFZNLHRUQW-MRXNPFEDSA-N 0 0 400.450 4.373 20 5 HIBDRN Cc1ccc(C)c(SCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464634163 877851430 /nfs/dbraw/zinc/85/14/30/877851430.db2.gz RZRCRFSAEVGMTR-UHFFFAOYSA-N 0 0 400.500 4.374 20 5 HIBDRN CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464641372 877859737 /nfs/dbraw/zinc/85/97/37/877859737.db2.gz CMTZSFYDLLLCFE-UHFFFAOYSA-N 0 0 418.877 4.476 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464646575 877865631 /nfs/dbraw/zinc/86/56/31/877865631.db2.gz XNUSBXSCYSZTQH-ZWKOTPCHSA-N 0 0 402.397 4.047 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464646573 877866107 /nfs/dbraw/zinc/86/61/07/877866107.db2.gz XNUSBXSCYSZTQH-QZTJIDSGSA-N 0 0 402.397 4.047 20 5 HIBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCOc2c(Cl)cc(Br)cc21 ZINC000464657100 877877738 /nfs/dbraw/zinc/87/77/38/877877738.db2.gz ABLZNKILSCLZQN-UHFFFAOYSA-N 0 0 403.641 4.111 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Oc1cccc(Br)c1 ZINC000464666809 877886521 /nfs/dbraw/zinc/88/65/21/877886521.db2.gz TVYIKPHQPHCQPT-SNVBAGLBSA-N 0 0 413.655 4.208 20 5 HIBDRN Cc1onc(-c2ccccc2)c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464666174 877886687 /nfs/dbraw/zinc/88/66/87/877886687.db2.gz HLPKCDUKLXJOBQ-UHFFFAOYSA-N 0 0 407.426 4.242 20 5 HIBDRN Cc1ccc(C(=O)N2CCOc3c(Cl)cc(Br)cc32)cc1[N+](=O)[O-] ZINC000464672763 877891194 /nfs/dbraw/zinc/89/11/94/877891194.db2.gz WWEUGVYMZGKULZ-UHFFFAOYSA-N 0 0 411.639 4.358 20 5 HIBDRN COC(=O)c1c(C)c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000464683560 877898226 /nfs/dbraw/zinc/89/82/26/877898226.db2.gz XAVLUFCHARDLLR-UHFFFAOYSA-N 0 0 412.826 4.213 20 5 HIBDRN COC(=O)c1c(C)c(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)ccc1F ZINC000464688417 877903149 /nfs/dbraw/zinc/90/31/49/877903149.db2.gz IRYSJFPZXNPQDG-UHFFFAOYSA-N 0 0 400.284 4.100 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1nc(C2CCCCC2)no1 ZINC000464699273 877915400 /nfs/dbraw/zinc/91/54/00/877915400.db2.gz LCIJJHVVIAHXDH-JTQLQIEISA-N 0 0 423.267 4.279 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000464722790 877951363 /nfs/dbraw/zinc/95/13/63/877951363.db2.gz JDMGZXGWRFKTAL-GOSISDBHSA-N 0 0 403.866 4.204 20 5 HIBDRN Cc1cc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000464724001 877954138 /nfs/dbraw/zinc/95/41/38/877954138.db2.gz DPJWMRDBGJHBBW-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000464725396 877957536 /nfs/dbraw/zinc/95/75/36/877957536.db2.gz XJJAZUWYZYWKAN-UHFFFAOYSA-N 0 0 423.326 4.148 20 5 HIBDRN Cc1c(CC(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000464726407 877960108 /nfs/dbraw/zinc/96/01/08/877960108.db2.gz IVWJXWKCOPZFIM-UHFFFAOYSA-N 0 0 422.338 4.428 20 5 HIBDRN O=C(CN1CC[C@@H](CSc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464762626 878005318 /nfs/dbraw/zinc/00/53/18/878005318.db2.gz LTVLHEKFUHSERT-CQSZACIVSA-N 0 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NC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c[nH]1 ZINC000465048883 878412017 /nfs/dbraw/zinc/41/20/17/878412017.db2.gz TUEHMCUJSLIWSD-UHFFFAOYSA-N 0 0 416.846 4.079 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1C[C@@H]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000465092793 878458790 /nfs/dbraw/zinc/45/87/90/878458790.db2.gz VHPZKMHVDIFQPQ-OKILXGFUSA-N 0 0 413.861 4.373 20 5 HIBDRN COC(=O)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000465146347 878527568 /nfs/dbraw/zinc/52/75/68/878527568.db2.gz LJVRTKARXUJPIU-UHFFFAOYSA-N 0 0 422.890 4.328 20 5 HIBDRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000465196231 878597790 /nfs/dbraw/zinc/59/77/90/878597790.db2.gz LNFONLVNPMDCGQ-GFCCVEGCSA-N 0 0 418.475 4.198 20 5 HIBDRN Cc1ccc2[nH]c(CNC(=O)c3ccc(N4C[C@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)nc2c1 ZINC000465198129 878601962 /nfs/dbraw/zinc/60/19/62/878601962.db2.gz TXRGRWGYTUWVSC-IYBDPMFKSA-N 0 0 421.501 4.192 20 5 HIBDRN CSc1ccc(F)cc1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000465212947 878626202 /nfs/dbraw/zinc/62/62/02/878626202.db2.gz GWUZZKNKSUEWDF-UHFFFAOYSA-N 0 0 418.368 4.327 20 5 HIBDRN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(-n2cccn2)c1 ZINC000465217321 878631881 /nfs/dbraw/zinc/63/18/81/878631881.db2.gz QYRLMILEGKALSY-SFHVURJKSA-N 0 0 422.488 4.218 20 5 HIBDRN C[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)Oc1cccc(Br)c1 ZINC000465657826 879185993 /nfs/dbraw/zinc/18/59/93/879185993.db2.gz KAAGVYKFJXSXOF-CHWSQXEVSA-N 0 0 422.279 4.185 20 5 HIBDRN C[C@H](NC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000465666028 879200141 /nfs/dbraw/zinc/20/01/41/879200141.db2.gz RGFBNHBXDOCJOQ-VIFPVBQESA-N 0 0 402.398 4.366 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(Br)c2)CCC1 ZINC000503435123 912440305 /nfs/dbraw/zinc/44/03/05/912440305.db2.gz ZXZJVTSTIUMDNO-UHFFFAOYSA-N 0 0 418.291 4.278 20 5 HIBDRN COc1ccc([C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000465740381 879325255 /nfs/dbraw/zinc/32/52/55/879325255.db2.gz DXCJTISKVIPOSC-JOCHJYFZSA-N 0 0 423.444 4.374 20 5 HIBDRN Cc1cccc(Oc2cc(CNC(=O)NCCc3ccc([N+](=O)[O-])cc3)ccn2)c1C ZINC000465742558 879327677 /nfs/dbraw/zinc/32/76/77/879327677.db2.gz BLDNBDXDRCENDH-UHFFFAOYSA-N 0 0 420.469 4.441 20 5 HIBDRN O=C(NCCc1ccccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465820059 879446582 /nfs/dbraw/zinc/44/65/82/879446582.db2.gz UFBMFICRDJAJTF-UHFFFAOYSA-N 0 0 403.866 4.044 20 5 HIBDRN C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000465979133 879651259 /nfs/dbraw/zinc/65/12/59/879651259.db2.gz HXHGIXUURNPWIL-KKSFZXQISA-N 0 0 415.465 4.228 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000465984914 879657360 /nfs/dbraw/zinc/65/73/60/879657360.db2.gz QGFNRLLAZRPUJA-GCJKJVERSA-N 0 0 411.502 4.398 20 5 HIBDRN Cc1ccc([C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000503456983 912482629 /nfs/dbraw/zinc/48/26/29/912482629.db2.gz LMZKRBGENSRQPW-QFIPXVFZSA-N 0 0 410.495 4.155 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000466143466 879853817 /nfs/dbraw/zinc/85/38/17/879853817.db2.gz JKDAEIYJNJBBJE-UHFFFAOYSA-N 0 0 408.458 4.067 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc(Br)cc1 ZINC000466148136 879855927 /nfs/dbraw/zinc/85/59/27/879855927.db2.gz ZOHUIUOIDWDMEM-KRWDZBQOSA-N 0 0 418.291 4.447 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000466160289 879863754 /nfs/dbraw/zinc/86/37/54/879863754.db2.gz WKVXVAPESAKKCF-UHFFFAOYSA-N 0 0 419.363 4.164 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000466255696 879980421 /nfs/dbraw/zinc/98/04/21/879980421.db2.gz QIFSBHXJHUPACA-INIZCTEOSA-N 0 0 407.495 4.183 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@@H]2COc3ccc(F)cc32)cc1[N+](=O)[O-])c1ccccn1 ZINC000466263776 879993886 /nfs/dbraw/zinc/99/38/86/879993886.db2.gz WADRGUYMSIMUDQ-ORAYPTAESA-N 0 0 422.416 4.166 20 5 HIBDRN O=C(Cc1c[nH]c2cc(Br)ccc12)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466281708 880022153 /nfs/dbraw/zinc/02/21/53/880022153.db2.gz VKDVXVZKKMCETJ-UHFFFAOYSA-N 0 0 422.666 4.351 20 5 HIBDRN O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466284773 880027918 /nfs/dbraw/zinc/02/79/18/880027918.db2.gz CEWFEAVTGGCJRF-UHFFFAOYSA-N 0 0 424.840 4.174 20 5 HIBDRN CC[C@H]1Cc2ccccc2CN1C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000466284884 880028221 /nfs/dbraw/zinc/02/82/21/880028221.db2.gz CCMPZHYETOHMGR-AWEZNQCLSA-N 0 0 406.385 4.182 20 5 HIBDRN O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466285654 880028834 /nfs/dbraw/zinc/02/88/34/880028834.db2.gz GUKIFYVIJQWEQN-QGZVFWFLSA-N 0 0 405.857 4.172 20 5 HIBDRN C[C@H](SCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2[nH]1 ZINC000466286561 880029807 /nfs/dbraw/zinc/02/98/07/880029807.db2.gz GZTROMAWYHFWHS-NSHDSACASA-N 0 0 404.879 4.235 20 5 HIBDRN CCOc1c(Cl)cc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1Cl ZINC000466299060 880046735 /nfs/dbraw/zinc/04/67/35/880046735.db2.gz RWRRNGKDOBUZRX-UHFFFAOYSA-N 0 0 413.213 4.339 20 5 HIBDRN O=C(Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1)Nc1ccccc1F ZINC000466334452 880088810 /nfs/dbraw/zinc/08/88/10/880088810.db2.gz IXSKQROGVNDNLF-UHFFFAOYSA-N 0 0 411.364 4.307 20 5 HIBDRN O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000466403476 880168370 /nfs/dbraw/zinc/16/83/70/880168370.db2.gz FSGZMFVVPPSZLI-UHFFFAOYSA-N 0 0 413.384 4.110 20 5 HIBDRN CCCCOc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl ZINC000466503041 880278427 /nfs/dbraw/zinc/27/84/27/880278427.db2.gz LJIWXTXDSCKKQU-UHFFFAOYSA-N 0 0 420.849 4.128 20 5 HIBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H](Cc2ccccc2)c2cccs2)cc1 ZINC000503504236 912552878 /nfs/dbraw/zinc/55/28/78/912552878.db2.gz JCOHDJGCHKREIL-IBGZPJMESA-N 0 0 416.524 4.102 20 5 HIBDRN COc1cc(C(=O)NCc2c(C)oc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000466606027 880374723 /nfs/dbraw/zinc/37/47/23/880374723.db2.gz FHXPZZLDKARJOX-UHFFFAOYSA-N 0 0 406.341 4.189 20 5 HIBDRN CSc1ccc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000466638467 880412732 /nfs/dbraw/zinc/41/27/32/880412732.db2.gz CDFJZZLYEOZWNV-LLVKDONJSA-N 0 0 409.305 4.499 20 5 HIBDRN O=C(NCc1c(F)cccc1OC(F)F)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000466692411 880483670 /nfs/dbraw/zinc/48/36/70/880483670.db2.gz ZRQCXSPKVHTNRY-UHFFFAOYSA-N 0 0 421.278 4.258 20 5 HIBDRN Cc1c(Br)cc(C(=O)N(C)CCCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000466742916 880525388 /nfs/dbraw/zinc/52/53/88/880525388.db2.gz IXXHUQGQOUNAMJ-UHFFFAOYSA-N 0 0 421.291 4.345 20 5 HIBDRN CN(CCn1cccn1)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466757658 880537735 /nfs/dbraw/zinc/53/77/35/880537735.db2.gz IFEBFAOHAVBEOE-UHFFFAOYSA-N 0 0 416.890 4.368 20 5 HIBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H]1CCOC1 ZINC000503528163 912580775 /nfs/dbraw/zinc/58/07/75/912580775.db2.gz AXLCUGNZBMMGOL-SFKKXYGYSA-N 0 0 409.467 4.040 20 5 HIBDRN COCc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000466851388 880621863 /nfs/dbraw/zinc/62/18/63/880621863.db2.gz IGERJUZZPWRKHS-AWEZNQCLSA-N 0 0 410.879 4.443 20 5 HIBDRN CCC[C@@H]1CCCN(C(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])C1 ZINC000466870599 880637711 /nfs/dbraw/zinc/63/77/11/880637711.db2.gz NMOBPMMDWUZEDT-CQSZACIVSA-N 0 0 419.503 4.291 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000466878731 880646079 /nfs/dbraw/zinc/64/60/79/880646079.db2.gz UYKLBWUHVJBBSC-UHFFFAOYSA-N 0 0 420.824 4.120 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCCCC2(C)C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000466915553 880682641 /nfs/dbraw/zinc/68/26/41/880682641.db2.gz BBLDLSGVFULWCA-SFHVURJKSA-N 0 0 419.503 4.338 20 5 HIBDRN Cc1sc(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1[N+](=O)[O-] ZINC000466962220 880752023 /nfs/dbraw/zinc/75/20/23/880752023.db2.gz BLGBZFSSZJCVFI-UHFFFAOYSA-N 0 0 411.686 4.181 20 5 HIBDRN Cc1noc(C[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)n1 ZINC000503545879 912609741 /nfs/dbraw/zinc/60/97/41/912609741.db2.gz BEEDTDOAVXUWPZ-MRXNPFEDSA-N 0 0 403.236 4.445 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CN(C)C)c(Br)c2)c1 ZINC000467018155 880821184 /nfs/dbraw/zinc/82/11/84/880821184.db2.gz FEQBLXMTNAIIFN-UHFFFAOYSA-N 0 0 424.320 4.393 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000512371662 921112722 /nfs/dbraw/zinc/11/27/22/921112722.db2.gz KXSOLXPIBIGKJP-HXUWFJFHSA-N 0 0 414.824 4.145 20 5 HIBDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467168523 880897521 /nfs/dbraw/zinc/89/75/21/880897521.db2.gz JEMHUBXGCARZQL-UHFFFAOYSA-N 0 0 404.854 4.473 20 5 HIBDRN CSc1cc2c(cc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)OCCO2 ZINC000467168538 880897867 /nfs/dbraw/zinc/89/78/67/880897867.db2.gz JALIZNWRRQEZQQ-UHFFFAOYSA-N 0 0 409.851 4.063 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000467187945 880913997 /nfs/dbraw/zinc/91/39/97/880913997.db2.gz VQXQZCYGGHECNL-FZKQIMNGSA-N 0 0 414.849 4.433 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000467211063 880941036 /nfs/dbraw/zinc/94/10/36/880941036.db2.gz HCSCHHKREHKJJI-MAUKXSAKSA-N 0 0 407.829 4.107 20 5 HIBDRN CCOc1ccc(CCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1OCC ZINC000467224810 880954346 /nfs/dbraw/zinc/95/43/46/880954346.db2.gz XYQAJKLZSLSRIP-UHFFFAOYSA-N 0 0 421.881 4.088 20 5 HIBDRN COc1cc(COc2ccc3c(c2)CCCC(=O)N3)c([N+](=O)[O-])cc1OCC(F)F ZINC000503555978 912628274 /nfs/dbraw/zinc/62/82/74/912628274.db2.gz BAIAUXIJNCPTGY-UHFFFAOYSA-N 0 0 422.384 4.101 20 5 HIBDRN Cc1oc2ccccc2c1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000467268533 881008000 /nfs/dbraw/zinc/00/80/00/881008000.db2.gz LRKYIFBQSWQRJC-UHFFFAOYSA-N 0 0 409.442 4.402 20 5 HIBDRN CO[C@@H]1CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@H]1C ZINC000467302602 881050480 /nfs/dbraw/zinc/05/04/80/881050480.db2.gz JFWCGFSLGHUIPP-JSNMRZPZSA-N 0 0 417.893 4.285 20 5 HIBDRN CO[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@H]1C ZINC000467302605 881050542 /nfs/dbraw/zinc/05/05/42/881050542.db2.gz JFWCGFSLGHUIPP-XMCHAPAWSA-N 0 0 417.893 4.285 20 5 HIBDRN Cc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(O[C@H]2CCOC2)c1 ZINC000467367150 881138919 /nfs/dbraw/zinc/13/89/19/881138919.db2.gz COBFXRMPDHXXLP-KRWDZBQOSA-N 0 0 412.467 4.216 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000467465902 881279452 /nfs/dbraw/zinc/27/94/52/881279452.db2.gz PJPZVPIMRYDYAK-AUUYWEPGSA-N 0 0 403.866 4.401 20 5 HIBDRN COc1cc(S(=O)(=O)N(Cc2ccco2)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000469062898 883140047 /nfs/dbraw/zinc/14/00/47/883140047.db2.gz UKNYGKJYTWPGKO-UHFFFAOYSA-N 0 0 422.846 4.245 20 5 HIBDRN C[C@@H](c1ccccc1Br)N(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000503587962 912674823 /nfs/dbraw/zinc/67/48/23/912674823.db2.gz BHTZGPDDECKREY-ZDUSSCGKSA-N 0 0 407.264 4.346 20 5 HIBDRN C[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000469155288 883252776 /nfs/dbraw/zinc/25/27/76/883252776.db2.gz NAOLWVXCNQYMMW-YVEFUNNKSA-N 0 0 416.279 4.190 20 5 HIBDRN CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000469167651 883265822 /nfs/dbraw/zinc/26/58/22/883265822.db2.gz UPVAGZDORQDNQB-CYBMUJFWSA-N 0 0 404.444 4.121 20 5 HIBDRN C[C@@]1(Cc2ccccc2)CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000469255647 883351437 /nfs/dbraw/zinc/35/14/37/883351437.db2.gz IKYFUPVKKUUVEG-DEOSSOPVSA-N 0 0 407.514 4.435 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000469265954 883361824 /nfs/dbraw/zinc/36/18/24/883361824.db2.gz QLEZUHALTMTMML-CQSZACIVSA-N 0 0 413.503 4.141 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N(C)[C@@H](CCO)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000503605862 912702219 /nfs/dbraw/zinc/70/22/19/912702219.db2.gz CPEVGYPFVFOBMA-FQEVSTJZSA-N 0 0 411.502 4.027 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000469298782 883395934 /nfs/dbraw/zinc/39/59/34/883395934.db2.gz DXXJHBLZXKIMED-LJQANCHMSA-N 0 0 401.850 4.036 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469355473 883477972 /nfs/dbraw/zinc/47/79/72/883477972.db2.gz ZAJQFPGWXXJTSC-NEPJUHHUSA-N 0 0 422.279 4.044 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469385795 883531729 /nfs/dbraw/zinc/53/17/29/883531729.db2.gz ICGWPTMSBMPLMQ-UHFFFAOYSA-N 0 0 401.413 4.305 20 5 HIBDRN CCOc1ccc(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000469512998 883771354 /nfs/dbraw/zinc/77/13/54/883771354.db2.gz ZYAASMSGKOCPEU-UHFFFAOYSA-N 0 0 412.364 4.163 20 5 HIBDRN Cc1cccc([C@H](NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000469531688 883803145 /nfs/dbraw/zinc/80/31/45/883803145.db2.gz UREWSENKFJUDFB-NRFANRHFSA-N 0 0 423.469 4.074 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000469716147 883884677 /nfs/dbraw/zinc/88/46/77/883884677.db2.gz CZRHDQMFDQGOLG-MRXNPFEDSA-N 0 0 419.551 4.416 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000469750983 883911912 /nfs/dbraw/zinc/91/19/12/883911912.db2.gz FXMDEBVQARTSAY-SNVBAGLBSA-N 0 0 406.236 4.358 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N(C)Cc2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000470000423 884217470 /nfs/dbraw/zinc/21/74/70/884217470.db2.gz RQLORGKUWMAYQG-CYBMUJFWSA-N 0 0 411.380 4.261 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](CC)C2)cc([N+](=O)[O-])c1 ZINC000470007878 884224568 /nfs/dbraw/zinc/22/45/68/884224568.db2.gz GTBULNJUEDKYQS-KKSFZXQISA-N 0 0 410.470 4.427 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1c1ccccc1 ZINC000470013503 884230928 /nfs/dbraw/zinc/23/09/28/884230928.db2.gz OSWCORIZSJSVCE-UWJYYQICSA-N 0 0 404.470 4.436 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000503705546 912803862 /nfs/dbraw/zinc/80/38/62/912803862.db2.gz ZHRDZQOQUSZJIZ-UHFFFAOYSA-N 0 0 406.411 4.306 20 5 HIBDRN Cc1cc(C(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)ccc1[N+](=O)[O-] ZINC000470040200 884280425 /nfs/dbraw/zinc/28/04/25/884280425.db2.gz AKFMDWTWMBVVNB-UHFFFAOYSA-N 0 0 407.451 4.332 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)c1 ZINC000470051020 884296244 /nfs/dbraw/zinc/29/62/44/884296244.db2.gz OCUVIBIAUYMMCK-UHFFFAOYSA-N 0 0 407.451 4.332 20 5 HIBDRN COc1cc(C(=O)N(C)Cc2cc(Cl)ccc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000470062397 884313542 /nfs/dbraw/zinc/31/35/42/884313542.db2.gz OFRPVDXWUYRGOA-UHFFFAOYSA-N 0 0 418.755 4.270 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000470092124 884349246 /nfs/dbraw/zinc/34/92/46/884349246.db2.gz JKMFOZBZIRVNBF-UHFFFAOYSA-N 0 0 414.259 4.486 20 5 HIBDRN C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1-n1cccn1 ZINC000470138527 884404097 /nfs/dbraw/zinc/40/40/97/884404097.db2.gz QHTKQWKOFYFJDN-AWEZNQCLSA-N 0 0 419.466 4.395 20 5 HIBDRN CCOc1cc(NC(=O)NCC2CCC(F)(F)CC2)c([N+](=O)[O-])cc1OCC ZINC000503778872 912822227 /nfs/dbraw/zinc/82/22/27/912822227.db2.gz KUEOSOXZYAIQBF-UHFFFAOYSA-N 0 0 401.410 4.339 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000470152263 884421990 /nfs/dbraw/zinc/42/19/90/884421990.db2.gz QBZVDBMZVMPXDF-MRXNPFEDSA-N 0 0 424.226 4.102 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470153581 884423712 /nfs/dbraw/zinc/42/37/12/884423712.db2.gz ULTVXTMUAAEMLD-UHFFFAOYSA-N 0 0 400.341 4.382 20 5 HIBDRN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000470154207 884426014 /nfs/dbraw/zinc/42/60/14/884426014.db2.gz ZNGWBGUQRLUGEI-MDOVXXIYSA-N 0 0 415.877 4.126 20 5 HIBDRN COc1cc(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)ccc1OCC(F)(F)F ZINC000470154193 884426304 /nfs/dbraw/zinc/42/63/04/884426304.db2.gz ZLYZNULBEJSNPG-UHFFFAOYSA-N 0 0 417.315 4.005 20 5 HIBDRN CCOc1cc(NC(=O)Nc2cc(OC)cc(OC)c2C)c([N+](=O)[O-])cc1OCC ZINC000503786991 912824271 /nfs/dbraw/zinc/82/42/71/912824271.db2.gz XTQCYRSLBZNKEB-UHFFFAOYSA-N 0 0 419.434 4.362 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000470172854 884453848 /nfs/dbraw/zinc/45/38/48/884453848.db2.gz DNTPKINRNRFIQJ-RORWEDLISA-N 0 0 406.891 4.112 20 5 HIBDRN C[C@H](Cc1ccccc1Br)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000470179573 884464313 /nfs/dbraw/zinc/46/43/13/884464313.db2.gz ZNINEBMRMNNXBL-CYBMUJFWSA-N 0 0 418.291 4.056 20 5 HIBDRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470181167 884468386 /nfs/dbraw/zinc/46/83/86/884468386.db2.gz ZEOXCDXESIPSID-NYXAKURHSA-N 0 0 409.486 4.418 20 5 HIBDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000470193856 884499238 /nfs/dbraw/zinc/49/92/38/884499238.db2.gz LRCPEKUDPZAUBB-UHFFFAOYSA-N 0 0 409.421 4.114 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000503874207 912848823 /nfs/dbraw/zinc/84/88/23/912848823.db2.gz OPESWMLCTXVBJX-IBGZPJMESA-N 0 0 410.861 4.155 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCO[C@@]3(CCOC3)C2)ccc1Oc1ccccc1Cl ZINC000470330917 884713244 /nfs/dbraw/zinc/71/32/44/884713244.db2.gz SHRCMEOUDHWZBS-FQEVSTJZSA-N 0 0 404.850 4.032 20 5 HIBDRN CO[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C(F)(F)F ZINC000470331869 884716080 /nfs/dbraw/zinc/71/60/80/884716080.db2.gz ZUAFDZNYIZFYIF-INIZCTEOSA-N 0 0 414.405 4.443 20 5 HIBDRN COc1c(Cl)cc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1Cl ZINC000470353195 884746747 /nfs/dbraw/zinc/74/67/47/884746747.db2.gz GQRNLWQFPRUWNX-UHFFFAOYSA-N 0 0 412.229 4.205 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000470356208 884748087 /nfs/dbraw/zinc/74/80/87/884748087.db2.gz QZXRMFKJAPOVOQ-SNVBAGLBSA-N 0 0 411.202 4.265 20 5 HIBDRN Cc1cnccc1OC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000470397045 884803064 /nfs/dbraw/zinc/80/30/64/884803064.db2.gz INTGAOSHLIBNMU-UHFFFAOYSA-N 0 0 409.364 4.001 20 5 HIBDRN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000470402103 884807912 /nfs/dbraw/zinc/80/79/12/884807912.db2.gz YWNVHJDWOPKLEY-CQSZACIVSA-N 0 0 410.861 4.147 20 5 HIBDRN CCOc1ccc([C@@H](C)[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000503921407 912865990 /nfs/dbraw/zinc/86/59/90/912865990.db2.gz UXIPBKOBDAZOLE-XLIONFOSSA-N 0 0 407.470 4.247 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3cccc4c3OCCC4=O)cc2[N+](=O)[O-])CC1 ZINC000503927109 912867242 /nfs/dbraw/zinc/86/72/42/912867242.db2.gz KOFBHUAQBQHJIE-UHFFFAOYSA-N 0 0 409.442 4.049 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1C(=O)N(C)C(C)C ZINC000470457625 884852629 /nfs/dbraw/zinc/85/26/29/884852629.db2.gz HCOWUILUCCMANP-AWEZNQCLSA-N 0 0 401.438 4.265 20 5 HIBDRN C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000470521315 884913918 /nfs/dbraw/zinc/91/39/18/884913918.db2.gz LWLYEPHZFDTCBT-GOSISDBHSA-N 0 0 423.513 4.196 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000470522373 884915135 /nfs/dbraw/zinc/91/51/35/884915135.db2.gz PDBVYKMMHYSMJE-ZDUSSCGKSA-N 0 0 419.865 4.252 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000503944126 912876221 /nfs/dbraw/zinc/87/62/21/912876221.db2.gz BTWZQSZIXAJTQL-XERREHJYSA-N 0 0 402.454 4.449 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccccc2F)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000470548943 884960281 /nfs/dbraw/zinc/96/02/81/884960281.db2.gz WEAKZCRNYLMKRL-UHFFFAOYSA-N 0 0 406.373 4.333 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(C(F)(F)F)cs1 ZINC000470574215 884990587 /nfs/dbraw/zinc/99/05/87/884990587.db2.gz MMAJKIOUKXVTCN-ZCFIWIBFSA-N 0 0 411.308 4.163 20 5 HIBDRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000470630038 885055780 /nfs/dbraw/zinc/05/57/80/885055780.db2.gz XHLJHVHRKOKSCN-HLPPOEQASA-N 0 0 413.440 4.490 20 5 HIBDRN CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000470660576 885084964 /nfs/dbraw/zinc/08/49/64/885084964.db2.gz IVRIIGQMPKVJMY-AWEZNQCLSA-N 0 0 402.472 4.158 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1CCN(c2ccccc2)CC1 ZINC000470677860 885108652 /nfs/dbraw/zinc/10/86/52/885108652.db2.gz KVPUSUHNEYEPTG-HNNXBMFYSA-N 0 0 417.893 4.048 20 5 HIBDRN COc1cc(C(=O)N2CCCC3(CCC3)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000470681041 885111937 /nfs/dbraw/zinc/11/19/37/885111937.db2.gz CPINLEGKKXFBSL-UHFFFAOYSA-N 0 0 417.487 4.045 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCC[C@H](OCc2ccccc2F)C1 ZINC000470680858 885112116 /nfs/dbraw/zinc/11/21/16/885112116.db2.gz CEQGQMZGCTUJNS-INIZCTEOSA-N 0 0 404.463 4.034 20 5 HIBDRN CSc1cccc(C(=O)N2CCC[C@H](OCc3ccccc3F)C2)c1[N+](=O)[O-] ZINC000470688127 885121846 /nfs/dbraw/zinc/12/18/46/885121846.db2.gz DPXYAPSCUTUVCA-HNNXBMFYSA-N 0 0 404.463 4.277 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000470699777 885138155 /nfs/dbraw/zinc/13/81/55/885138155.db2.gz RPYKZUZDCZPWFM-UHFFFAOYSA-N 0 0 401.785 4.098 20 5 HIBDRN O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470705632 885143219 /nfs/dbraw/zinc/14/32/19/885143219.db2.gz AUNCULKGRKKUIN-UHFFFAOYSA-N 0 0 405.470 4.318 20 5 HIBDRN CO[C@@]1(C)CCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000470706292 885145528 /nfs/dbraw/zinc/14/55/28/885145528.db2.gz DWLOONQSFKRXDT-SFHVURJKSA-N 0 0 407.517 4.152 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC000470709170 885147352 /nfs/dbraw/zinc/14/73/52/885147352.db2.gz YVELCNAUGQEEFK-UHFFFAOYSA-N 0 0 411.727 4.158 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000470720239 885164828 /nfs/dbraw/zinc/16/48/28/885164828.db2.gz RHNJFIJAAWWBFC-UHFFFAOYSA-N 0 0 421.457 4.231 20 5 HIBDRN C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000470735775 885191201 /nfs/dbraw/zinc/19/12/01/885191201.db2.gz GTSNYUSGBQKFTD-PXAZEXFGSA-N 0 0 410.879 4.067 20 5 HIBDRN CCOc1cc(NC(=O)c2ccn(C3CCCCC3)n2)c([N+](=O)[O-])cc1OCC ZINC000470741030 885202836 /nfs/dbraw/zinc/20/28/36/885202836.db2.gz SEDFBWGLJAAVOH-UHFFFAOYSA-N 0 0 402.451 4.346 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000470761310 885226180 /nfs/dbraw/zinc/22/61/80/885226180.db2.gz WIHIACJAAUTQKF-MEBBXXQBSA-N 0 0 400.378 4.277 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000470835710 885326215 /nfs/dbraw/zinc/32/62/15/885326215.db2.gz KYSOKDLOWXFLKA-GFCCVEGCSA-N 0 0 407.264 4.094 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000470840282 885333516 /nfs/dbraw/zinc/33/35/16/885333516.db2.gz NBVLVZGQPVMGHJ-UHFFFAOYSA-N 0 0 419.437 4.176 20 5 HIBDRN CC[C@@H](c1ccc(Br)cc1)N1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000470865874 885356367 /nfs/dbraw/zinc/35/63/67/885356367.db2.gz UCRJQOOAGONNNL-KRWDZBQOSA-N 0 0 419.323 4.334 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000470870511 885357070 /nfs/dbraw/zinc/35/70/70/885357070.db2.gz YGUHXZIPHJWHIR-UHFFFAOYSA-N 0 0 405.410 4.498 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C)c(NC(=O)c2ccncc2)c1 ZINC000470873561 885362318 /nfs/dbraw/zinc/36/23/18/885362318.db2.gz ZXKHGWIGMQUDNY-UHFFFAOYSA-N 0 0 420.425 4.202 20 5 HIBDRN CSc1ccc(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000504029722 912932431 /nfs/dbraw/zinc/93/24/31/912932431.db2.gz DUZKIOCLYZVOEJ-UHFFFAOYSA-N 0 0 415.298 4.258 20 5 HIBDRN O=C(CN1CCC[C@H](OCc2ccccc2F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000470919790 885426581 /nfs/dbraw/zinc/42/65/81/885426581.db2.gz NLAWJNAPHFPWFD-INIZCTEOSA-N 0 0 421.856 4.007 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C)O[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000470920867 885428141 /nfs/dbraw/zinc/42/81/41/885428141.db2.gz VANVQLJJNZMCGX-XGRCMKMKSA-N 0 0 409.486 4.082 20 5 HIBDRN Cc1nc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)sc1C ZINC000470964582 885465704 /nfs/dbraw/zinc/46/57/04/885465704.db2.gz ACVQMDLJZVKKGF-UHFFFAOYSA-N 0 0 400.426 4.009 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1cc(OC)c(OC)cc1SC ZINC000470973252 885473401 /nfs/dbraw/zinc/47/34/01/885473401.db2.gz CINZRSMCNHONKI-UHFFFAOYSA-N 0 0 420.487 4.005 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccnc1Oc1cccc(OC)c1 ZINC000470984400 885484665 /nfs/dbraw/zinc/48/46/65/885484665.db2.gz PLUNGSBICKZGKQ-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN COC(=O)c1nc([C@@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2OC(C)C)sc1C ZINC000471004260 885504577 /nfs/dbraw/zinc/50/45/77/885504577.db2.gz HLVAJEGLTRGXHS-INIZCTEOSA-N 0 0 419.503 4.271 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000471016584 885520289 /nfs/dbraw/zinc/52/02/89/885520289.db2.gz FDBCPNUTQLQNCK-OAQYLSRUSA-N 0 0 421.501 4.325 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000471030158 885537493 /nfs/dbraw/zinc/53/74/93/885537493.db2.gz BSGGSTRSJFVXIJ-ZDUSSCGKSA-N 0 0 402.422 4.412 20 5 HIBDRN O=C(Cc1csc2ccc(Br)cc12)NCCc1cccc([N+](=O)[O-])c1 ZINC000471034659 885542752 /nfs/dbraw/zinc/54/27/52/885542752.db2.gz VGNWMPYYDGUTTO-UHFFFAOYSA-N 0 0 419.300 4.473 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000471050295 885562983 /nfs/dbraw/zinc/56/29/83/885562983.db2.gz LOAYFVUMERSRPB-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000471055241 885569217 /nfs/dbraw/zinc/56/92/17/885569217.db2.gz CQMJATXPHFQAAK-CYBMUJFWSA-N 0 0 410.430 4.097 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000471077211 885602101 /nfs/dbraw/zinc/60/21/01/885602101.db2.gz ZLQGCUVRAZAFCB-MRXNPFEDSA-N 0 0 407.474 4.464 20 5 HIBDRN Cc1ccc([C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccn2)cc1 ZINC000471081405 885607994 /nfs/dbraw/zinc/60/79/94/885607994.db2.gz PABQNAUZVJGGDK-NRFANRHFSA-N 0 0 401.426 4.227 20 5 HIBDRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000471089370 885619751 /nfs/dbraw/zinc/61/97/51/885619751.db2.gz SBTZBPDTZVYGRS-GFCCVEGCSA-N 0 0 414.302 4.339 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504048078 912955666 /nfs/dbraw/zinc/95/56/66/912955666.db2.gz HHHCYCFOOJYVMN-UHFFFAOYSA-N 0 0 408.241 4.018 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000471111970 885646834 /nfs/dbraw/zinc/64/68/34/885646834.db2.gz GGELGFPBGUQMEU-UHFFFAOYSA-N 0 0 404.470 4.031 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000471121634 885656740 /nfs/dbraw/zinc/65/67/40/885656740.db2.gz SGGUMXUQXLNSQC-XHDPSFHLSA-N 0 0 408.227 4.482 20 5 HIBDRN COC(=O)c1nc([C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC000471128354 885666716 /nfs/dbraw/zinc/66/67/16/885666716.db2.gz BMHBZIPACYPEII-ZDUSSCGKSA-N 0 0 424.866 4.169 20 5 HIBDRN COC(=O)c1nc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC000471128353 885666869 /nfs/dbraw/zinc/66/68/69/885666869.db2.gz BMHBZIPACYPEII-CYBMUJFWSA-N 0 0 424.866 4.169 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(Br)ccc1NC1CC1 ZINC000471138817 885681683 /nfs/dbraw/zinc/68/16/83/885681683.db2.gz DOVBJDKANNPBGS-UHFFFAOYSA-N 0 0 419.279 4.372 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000471151438 885698296 /nfs/dbraw/zinc/69/82/96/885698296.db2.gz MVPCDDQOGQSWLR-CYBMUJFWSA-N 0 0 420.849 4.315 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000471157514 885709412 /nfs/dbraw/zinc/70/94/12/885709412.db2.gz SBWMFVLLDKJXMP-UHFFFAOYSA-N 0 0 403.341 4.395 20 5 HIBDRN CN(C(=O)c1cc(I)ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000471161635 885715851 /nfs/dbraw/zinc/71/58/51/885715851.db2.gz SAYQSCGUVBKIEU-UHFFFAOYSA-N 0 0 416.602 4.129 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCC[C@](C)(OC)C2)c([N+](=O)[O-])cc1OCCC ZINC000471169598 885725277 /nfs/dbraw/zinc/72/52/77/885725277.db2.gz PVBDSBICMABOPU-FQEVSTJZSA-N 0 0 409.483 4.205 20 5 HIBDRN CCOc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000471173393 885732306 /nfs/dbraw/zinc/73/23/06/885732306.db2.gz OVLVGGWTTLUQGT-WDEREUQCSA-N 0 0 405.373 4.197 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cn2)cc1[N+](=O)[O-] ZINC000471207805 885779151 /nfs/dbraw/zinc/77/91/51/885779151.db2.gz NXPDJPBLKPHVKO-UHFFFAOYSA-N 0 0 416.503 4.082 20 5 HIBDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000471232799 885806540 /nfs/dbraw/zinc/80/65/40/885806540.db2.gz CRDSEZNEQBGTPD-UHFFFAOYSA-N 0 0 421.375 4.266 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000471295936 885881704 /nfs/dbraw/zinc/88/17/04/885881704.db2.gz DKIHCZWNERZUCQ-MRXNPFEDSA-N 0 0 420.849 4.008 20 5 HIBDRN C[C@H](NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000471329236 885925590 /nfs/dbraw/zinc/92/55/90/885925590.db2.gz HHMBIQKCNKKQGK-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000471330810 885929364 /nfs/dbraw/zinc/92/93/64/885929364.db2.gz SPBWSFLARTUJIS-CQSZACIVSA-N 0 0 420.412 4.451 20 5 HIBDRN Cc1ccc([C@H]2CCN(C(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)c(C)c1 ZINC000471339910 885946379 /nfs/dbraw/zinc/94/63/79/885946379.db2.gz FRVVGPWYBZOJQL-SFHVURJKSA-N 0 0 404.470 4.242 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000471349739 885962669 /nfs/dbraw/zinc/96/26/69/885962669.db2.gz ZNJBTTOYYNVRPD-UHFFFAOYSA-N 0 0 403.866 4.449 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cccc1NC(=O)N(C)C ZINC000471378305 886024134 /nfs/dbraw/zinc/02/41/34/886024134.db2.gz RLXOFCFXKDLSCE-LBPRGKRZSA-N 0 0 420.853 4.056 20 5 HIBDRN CCOc1ccc(NC(=O)CNc2ccc(Oc3ccccn3)cc2)c([N+](=O)[O-])c1 ZINC000504090028 912999763 /nfs/dbraw/zinc/99/97/63/912999763.db2.gz OPJUKLDXDGCFTE-UHFFFAOYSA-N 0 0 408.414 4.231 20 5 HIBDRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000471455677 886132019 /nfs/dbraw/zinc/13/20/19/886132019.db2.gz RVPHTVMIJYUUFQ-WIYYLYMNSA-N 0 0 407.514 4.291 20 5 HIBDRN COc1cccc([C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2cc(F)ccc2OC)c1 ZINC000471460789 886142381 /nfs/dbraw/zinc/14/23/81/886142381.db2.gz XEZFXKUCFGKOMX-NRFANRHFSA-N 0 0 410.401 4.271 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)cc1SC ZINC000471466660 886152910 /nfs/dbraw/zinc/15/29/10/886152910.db2.gz XMVQNUVWQHXPQA-GDBMZVCRSA-N 0 0 400.500 4.419 20 5 HIBDRN O=[N+]([O-])c1ccc(OC[C@H](O)COc2cc(Cl)ccc2Cl)c2cccnc21 ZINC000471478138 886173814 /nfs/dbraw/zinc/17/38/14/886173814.db2.gz XITATQZGXMZRHF-LBPRGKRZSA-N 0 0 409.225 4.269 20 5 HIBDRN COC[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000471486534 886183770 /nfs/dbraw/zinc/18/37/70/886183770.db2.gz AUBWDQILFWFENJ-KXBFYZLASA-N 0 0 424.457 4.182 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)OC(C)C ZINC000471551110 886259079 /nfs/dbraw/zinc/25/90/79/886259079.db2.gz LHGAWXAWPZHIPJ-NRFANRHFSA-N 0 0 413.474 4.074 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)OC(C)C ZINC000471568690 886277546 /nfs/dbraw/zinc/27/75/46/886277546.db2.gz AEYUVKFRWLLYGT-HXUWFJFHSA-N 0 0 418.465 4.303 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NC[C@H](C)Oc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000504127363 913030577 /nfs/dbraw/zinc/03/05/77/913030577.db2.gz GCLXNSBIAMOSIF-DLBZAZTESA-N 0 0 420.469 4.360 20 5 HIBDRN Cc1c(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cccc1NC(=O)N(C)C ZINC000471631136 886349305 /nfs/dbraw/zinc/34/93/05/886349305.db2.gz FBUZLIBDDCKOCJ-UHFFFAOYSA-N 0 0 419.869 4.014 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccc2ccccc2c1 ZINC000471637390 886355796 /nfs/dbraw/zinc/35/57/96/886355796.db2.gz ZNASSMZCHWKXEM-FQEVSTJZSA-N 0 0 406.438 4.020 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000471643910 886358829 /nfs/dbraw/zinc/35/88/29/886358829.db2.gz SMVXAIMRNBJUIR-UHFFFAOYSA-N 0 0 416.796 4.496 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC000471695065 886404439 /nfs/dbraw/zinc/40/44/39/886404439.db2.gz BQULPMYWBZZNLU-UHFFFAOYSA-N 0 0 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O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCCOC(F)(F)F)c1ccccc1 ZINC000473779315 888582622 /nfs/dbraw/zinc/58/26/22/888582622.db2.gz DBSIKJPLGMMLDF-HNNXBMFYSA-N 0 0 417.771 4.054 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1cc3cc([N+](=O)[O-])ccc3o1)O[C@H](C)C2 ZINC000504494406 913283179 /nfs/dbraw/zinc/28/31/79/913283179.db2.gz DCNCOEDFJWESNF-PZPSRYQVSA-N 0 0 422.437 4.349 20 5 HIBDRN COc1ccc(CNc2nnc(SCc3c(F)cccc3[N+](=O)[O-])s2)cc1 ZINC000504529410 913308662 /nfs/dbraw/zinc/30/86/62/913308662.db2.gz CUWBLWGWJVWLPH-UHFFFAOYSA-N 0 0 406.464 4.498 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1 ZINC000504555753 913329476 /nfs/dbraw/zinc/32/94/76/913329476.db2.gz OULUDJFYGAWBCV-QFIPXVFZSA-N 0 0 420.469 4.221 20 5 HIBDRN CCc1cnc(CN(C)C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000474462692 889328810 /nfs/dbraw/zinc/32/88/10/889328810.db2.gz ZXOQJQVQJYIWOS-UHFFFAOYSA-N 0 0 416.425 4.093 20 5 HIBDRN O=C(c1cc2sc(N3CCCC3)nc2s1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000474580992 889452925 /nfs/dbraw/zinc/45/29/25/889452925.db2.gz VGFKJISFQGJIGB-UHFFFAOYSA-N 0 0 400.485 4.069 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCSC2(CCOCC2)C1 ZINC000474664899 889529033 /nfs/dbraw/zinc/52/90/33/889529033.db2.gz UIJSGLCCENSGDS-UHFFFAOYSA-N 0 0 413.499 4.077 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000474709442 889568128 /nfs/dbraw/zinc/56/81/28/889568128.db2.gz GWNIAXLXHMRHIV-SFFCAUCYSA-N 0 0 414.433 4.336 20 5 HIBDRN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)c2nccs2)c(OC)c1 ZINC000474740973 889597738 /nfs/dbraw/zinc/59/77/38/889597738.db2.gz VWEQKRWUINCDBW-UHFFFAOYSA-N 0 0 413.455 4.224 20 5 HIBDRN O=C(Nc1ccccc1OCC(F)F)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000474744416 889600818 /nfs/dbraw/zinc/60/08/18/889600818.db2.gz GYJIFUYPUAEOMI-UHFFFAOYSA-N 0 0 403.288 4.484 20 5 HIBDRN Cc1c(C(=O)Nc2cccc(COC(C)(C)C)c2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000474756120 889614920 /nfs/dbraw/zinc/61/49/20/889614920.db2.gz JHKNMXXCQJYEFI-UHFFFAOYSA-N 0 0 423.473 4.360 20 5 HIBDRN COc1c(C(=O)NCc2cccc(COCc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000474866603 889721108 /nfs/dbraw/zinc/72/11/08/889721108.db2.gz CUOPNJXJCYKULB-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN COc1c(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000474873511 889727510 /nfs/dbraw/zinc/72/75/10/889727510.db2.gz SCLFKNSYNKGZRF-HNNXBMFYSA-N 0 0 419.437 4.347 20 5 HIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474879868 889735714 /nfs/dbraw/zinc/73/57/14/889735714.db2.gz DHFSNJFBCSBXME-INIZCTEOSA-N 0 0 414.767 4.481 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000474885904 889742679 /nfs/dbraw/zinc/74/26/79/889742679.db2.gz HFONLQLELNSGQV-SFHVURJKSA-N 0 0 422.403 4.491 20 5 HIBDRN C[C@@H]1CCN(C)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000475049257 889897898 /nfs/dbraw/zinc/89/78/98/889897898.db2.gz JUTQETSYOGCPDG-CYBMUJFWSA-N 0 0 418.291 4.161 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000475057547 889902411 /nfs/dbraw/zinc/90/24/11/889902411.db2.gz BBDPYBRHKQXDAN-UHFFFAOYSA-N 0 0 409.352 4.372 20 5 HIBDRN Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1[N+](=O)[O-] ZINC000475062822 889908153 /nfs/dbraw/zinc/90/81/53/889908153.db2.gz DNTWNQDOLHKBLD-OAHLLOKOSA-N 0 0 422.268 4.135 20 5 HIBDRN COc1ccc2[nH]cc(C3CCN(C(=O)c4cccc([N+](=O)[O-])c4OC)CC3)c2c1 ZINC000475114477 889966795 /nfs/dbraw/zinc/96/67/95/889966795.db2.gz FQIBKLVCSJJSDQ-UHFFFAOYSA-N 0 0 409.442 4.113 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] ZINC000475118130 889973980 /nfs/dbraw/zinc/97/39/80/889973980.db2.gz JGGOBJUNUNRADY-CYBMUJFWSA-N 0 0 414.849 4.417 20 5 HIBDRN COc1ccc(CN(CCO)c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475131569 889994790 /nfs/dbraw/zinc/99/47/90/889994790.db2.gz DUHYFNUCQMRWDA-UHFFFAOYSA-N 0 0 408.454 4.181 20 5 HIBDRN COC(=O)[C@H](CC(F)F)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000475133445 889998991 /nfs/dbraw/zinc/99/89/91/889998991.db2.gz BTKIDIFAKFURIC-AWEZNQCLSA-N 0 0 414.792 4.327 20 5 HIBDRN COC(=O)[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1cccs1 ZINC000475144955 890012204 /nfs/dbraw/zinc/01/22/04/890012204.db2.gz JKYKCJAZGAMUFG-FQEVSTJZSA-N 0 0 411.483 4.428 20 5 HIBDRN O=C(Nc1ccc(NCc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000475179632 890049695 /nfs/dbraw/zinc/04/96/95/890049695.db2.gz CUJYWGOCCSQUEK-QGZVFWFLSA-N 0 0 409.364 4.343 20 5 HIBDRN O=C(NCc1cccc2c1OCCCO2)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475191603 890061905 /nfs/dbraw/zinc/06/19/05/890061905.db2.gz NZZFQXFLQODRLD-UHFFFAOYSA-N 0 0 411.336 4.097 20 5 HIBDRN CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475197939 890066133 /nfs/dbraw/zinc/06/61/33/890066133.db2.gz ZVBUMEAXNPOYOM-UHFFFAOYSA-N 0 0 424.379 4.278 20 5 HIBDRN O=C(NCc1nc(C(F)(F)F)cs1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475196707 890066550 /nfs/dbraw/zinc/06/65/50/890066550.db2.gz WEULYZQUIPIALJ-UHFFFAOYSA-N 0 0 414.287 4.411 20 5 HIBDRN O=C(NCc1ccc(Cn2cccn2)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475203784 890073484 /nfs/dbraw/zinc/07/34/84/890073484.db2.gz FLRWKXFKGOFNMH-UHFFFAOYSA-N 0 0 419.363 4.180 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000504674356 913412914 /nfs/dbraw/zinc/41/29/14/913412914.db2.gz XQOMQAUAAJAKCH-MRXNPFEDSA-N 0 0 412.837 4.402 20 5 HIBDRN CCc1ccc([C@H](COC)NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)o1 ZINC000475215088 890085334 /nfs/dbraw/zinc/08/53/34/890085334.db2.gz KOUXSMLELHLWPZ-ZDUSSCGKSA-N 0 0 401.341 4.278 20 5 HIBDRN COc1ccc(CN2C[C@H](C)O[C@@H](C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475291164 890193612 /nfs/dbraw/zinc/19/36/12/890193612.db2.gz LVSKKOGGBRXMTI-QMHKHESXSA-N 0 0 412.486 4.182 20 5 HIBDRN Cc1cccn2cc(COc3ccc(C(=O)Nc4ccc([N+](=O)[O-])c(C)n4)cc3)nc12 ZINC000475292988 890198107 /nfs/dbraw/zinc/19/81/07/890198107.db2.gz IQTUJJKMXCHSJO-UHFFFAOYSA-N 0 0 417.425 4.086 20 5 HIBDRN C[C@H]1OCC[C@]12CN(Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CCO2 ZINC000475296455 890205198 /nfs/dbraw/zinc/20/51/98/890205198.db2.gz VBWPJUHSKOTKFO-VFNWGFHPSA-N 0 0 418.877 4.420 20 5 HIBDRN Cc1nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)ccc1[N+](=O)[O-] ZINC000475321022 890239804 /nfs/dbraw/zinc/23/98/04/890239804.db2.gz LDAGJIIHCUVFCQ-VIFPVBQESA-N 0 0 414.643 4.120 20 5 HIBDRN CCCOc1cc(NC(=O)[C@H]2CC(=O)c3ccccc32)c([N+](=O)[O-])cc1OCCC ZINC000475485018 890389977 /nfs/dbraw/zinc/38/99/77/890389977.db2.gz ITBWBQAYTNNJRM-INIZCTEOSA-N 0 0 412.442 4.481 20 5 HIBDRN COc1c(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000475526513 890449934 /nfs/dbraw/zinc/44/99/34/890449934.db2.gz FVXLFAGPCMTYQX-UHFFFAOYSA-N 0 0 420.425 4.177 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000475543695 890469091 /nfs/dbraw/zinc/46/90/91/890469091.db2.gz DONGCXBCYQJNRW-UHFFFAOYSA-N 0 0 413.474 4.229 20 5 HIBDRN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475550146 890475213 /nfs/dbraw/zinc/47/52/13/890475213.db2.gz GSCIQOGUKDJZLY-GOSISDBHSA-N 0 0 413.474 4.433 20 5 HIBDRN COc1cccc(-c2noc([C@@H](C)NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)n2)c1 ZINC000475548517 890475667 /nfs/dbraw/zinc/47/56/67/890475667.db2.gz BLWLXWCTEXGNKK-CYBMUJFWSA-N 0 0 411.418 4.153 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000475560160 890489012 /nfs/dbraw/zinc/48/90/12/890489012.db2.gz HDNBHBFBFFXEIS-SFHVURJKSA-N 0 0 421.400 4.418 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000475571463 890503122 /nfs/dbraw/zinc/50/31/22/890503122.db2.gz MUSLJBQRRSCXJG-ZDUSSCGKSA-N 0 0 411.384 4.296 20 5 HIBDRN CC[C@@H]1NC(=O)N(c2cccc(N[C@@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])c2)C1=O ZINC000475573487 890505040 /nfs/dbraw/zinc/50/50/40/890505040.db2.gz SABHYEDCOBAXEV-RYGJVYDSSA-N 0 0 422.485 4.253 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000475587262 890514797 /nfs/dbraw/zinc/51/47/97/890514797.db2.gz YTNZVEYUUUYAJI-UHFFFAOYSA-N 0 0 419.441 4.181 20 5 HIBDRN COc1c(C(=O)NC(C)(C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000475614846 890545154 /nfs/dbraw/zinc/54/51/54/890545154.db2.gz ZKNNBMHAGGUGQY-UHFFFAOYSA-N 0 0 407.264 4.117 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc(OC)c1OC ZINC000475638325 890579616 /nfs/dbraw/zinc/57/96/16/890579616.db2.gz NTUUPQSPYMIRFL-CYBMUJFWSA-N 0 0 403.435 4.120 20 5 HIBDRN O=[N+]([O-])c1ccc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 ZINC000475644753 890586882 /nfs/dbraw/zinc/58/68/82/890586882.db2.gz YAESRBHOMIFHNU-HNNXBMFYSA-N 0 0 419.197 4.199 20 5 HIBDRN COc1c(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cccc1[N+](=O)[O-] ZINC000475653965 890597002 /nfs/dbraw/zinc/59/70/02/890597002.db2.gz UXBKAPDLCKVPFT-UHFFFAOYSA-N 0 0 413.333 4.364 20 5 HIBDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000475654466 890599879 /nfs/dbraw/zinc/59/98/79/890599879.db2.gz VNMZWOSRFZINNR-DGCLKSJQSA-N 0 0 406.426 4.282 20 5 HIBDRN CCS[C@H]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000475657236 890602822 /nfs/dbraw/zinc/60/28/22/890602822.db2.gz SVCKXPUCMRYNRJ-OCCSQVGLSA-N 0 0 401.326 4.032 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc2cccc(Cl)c2n1C ZINC000475702262 890640131 /nfs/dbraw/zinc/64/01/31/890640131.db2.gz SGMBHCBSJAIDTC-CQSZACIVSA-N 0 0 400.866 4.020 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000475710940 890649945 /nfs/dbraw/zinc/64/99/45/890649945.db2.gz UHPIIWSXYUCBKB-UHFFFAOYSA-N 0 0 409.423 4.160 20 5 HIBDRN C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000475799263 890735668 /nfs/dbraw/zinc/73/56/68/890735668.db2.gz QLXCHAQUMJMDOZ-LBPRGKRZSA-N 0 0 408.389 4.372 20 5 HIBDRN Cn1cc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475807362 890741343 /nfs/dbraw/zinc/74/13/43/890741343.db2.gz IHKHGNQZEGIXHK-ADYPVZHUSA-N 0 0 402.454 4.313 20 5 HIBDRN Cn1cc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475807370 890741880 /nfs/dbraw/zinc/74/18/80/890741880.db2.gz IHKHGNQZEGIXHK-UZRURVBFSA-N 0 0 402.454 4.313 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1)c1ccc([N+](=O)[O-])cc1 ZINC000475870886 890807370 /nfs/dbraw/zinc/80/73/70/890807370.db2.gz RANVTIQQGNYOMY-SFHVURJKSA-N 0 0 406.841 4.265 20 5 HIBDRN O=C(Cc1cccc(Br)c1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000475871542 890807450 /nfs/dbraw/zinc/80/74/50/890807450.db2.gz UZQSHSNVSSWIHS-UHFFFAOYSA-N 0 0 408.639 4.172 20 5 HIBDRN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1cc(Cl)ccc1OCC1CC1 ZINC000475890186 890823448 /nfs/dbraw/zinc/82/34/48/890823448.db2.gz XKCJPVZLWAVVMF-UHFFFAOYSA-N 0 0 413.655 4.010 20 5 HIBDRN CCOC(=O)[C@H](CC)S[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000475991175 890910932 /nfs/dbraw/zinc/91/09/32/890910932.db2.gz PSUMLTAQPSEYPL-NHYWBVRUSA-N 0 0 423.516 4.120 20 5 HIBDRN Cc1nc(-c2ccccc2C)sc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000476067775 890998009 /nfs/dbraw/zinc/99/80/09/890998009.db2.gz OHECTYWYXRIBMY-UHFFFAOYSA-N 0 0 422.510 4.298 20 5 HIBDRN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000476177397 891108133 /nfs/dbraw/zinc/10/81/33/891108133.db2.gz VTESIEYCEFSGLP-HNNXBMFYSA-N 0 0 410.348 4.016 20 5 HIBDRN O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476184351 891116317 /nfs/dbraw/zinc/11/63/17/891116317.db2.gz XOWUXENAFDYNJX-UHFFFAOYSA-N 0 0 413.355 4.273 20 5 HIBDRN CC1CCN(c2ccc(-c3nc(CC(=O)Nc4ccccc4)no3)cc2[N+](=O)[O-])CC1 ZINC000504805344 913528079 /nfs/dbraw/zinc/52/80/79/913528079.db2.gz VACWDAMBFSSKRR-UHFFFAOYSA-N 0 0 421.457 4.062 20 5 HIBDRN O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000504812785 913532788 /nfs/dbraw/zinc/53/27/88/913532788.db2.gz HQEABQNLNASOGS-UHFFFAOYSA-N 0 0 402.410 4.030 20 5 HIBDRN COc1ccc(C(=O)CCCCCC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000476334016 891238166 /nfs/dbraw/zinc/23/81/66/891238166.db2.gz NCYYZJWKQFMGMR-UHFFFAOYSA-N 0 0 410.430 4.252 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000476344300 891248482 /nfs/dbraw/zinc/24/84/82/891248482.db2.gz XJERWQURDYVISZ-SFHVURJKSA-N 0 0 421.497 4.491 20 5 HIBDRN Cc1c(NC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cccc1[N+](=O)[O-] ZINC000476377878 891294375 /nfs/dbraw/zinc/29/43/75/891294375.db2.gz LCNLULBDHMJCGC-SJORKVTESA-N 0 0 410.257 4.332 20 5 HIBDRN CCn1c(SCc2c([N+](=O)[O-])ncn2C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000476483621 891395107 /nfs/dbraw/zinc/39/51/07/891395107.db2.gz QVRVDDDKUBEPKH-UHFFFAOYSA-N 0 0 400.508 4.197 20 5 HIBDRN COc1c(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000476513090 891426861 /nfs/dbraw/zinc/42/68/61/891426861.db2.gz VNARHSOUECUYCZ-CQSZACIVSA-N 0 0 404.850 4.188 20 5 HIBDRN O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000476514828 891429846 /nfs/dbraw/zinc/42/98/46/891429846.db2.gz SIZSLNUNCLSFHU-NRFANRHFSA-N 0 0 419.412 4.440 20 5 HIBDRN CC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c(C)c1 ZINC000476521478 891435265 /nfs/dbraw/zinc/43/52/65/891435265.db2.gz UUADVWOQYXLYCD-UHFFFAOYSA-N 0 0 418.471 4.073 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H](c2ccc(OC)c(F)c2)C1 ZINC000504836625 913558110 /nfs/dbraw/zinc/55/81/10/913558110.db2.gz HFSCNJOFKQMDDP-HDJSIYSDSA-N 0 0 403.410 4.209 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)c1[N+](=O)[O-] ZINC000476547804 891462411 /nfs/dbraw/zinc/46/24/11/891462411.db2.gz OMHJFUBERPRYOJ-UHFFFAOYSA-N 0 0 415.475 4.353 20 5 HIBDRN COc1c(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)cccc1[N+](=O)[O-] ZINC000476604924 891538106 /nfs/dbraw/zinc/53/81/06/891538106.db2.gz NPDWEHFODJBAKJ-UHFFFAOYSA-N 0 0 415.496 4.295 20 5 HIBDRN Cc1cccc2c1OCC[C@H]2NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000476630061 891566267 /nfs/dbraw/zinc/56/62/67/891566267.db2.gz NTABPYUGHIBWFQ-LJQANCHMSA-N 0 0 402.425 4.382 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@@](F)(c3ccccc3C)C2)c(C)c([N+](=O)[O-])c1 ZINC000504849470 913574380 /nfs/dbraw/zinc/57/43/80/913574380.db2.gz UVHHXJVEQOKLDW-NRFANRHFSA-N 0 0 415.421 4.101 20 5 HIBDRN COc1c(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000476665141 891613306 /nfs/dbraw/zinc/61/33/06/891613306.db2.gz HYKHACGNTZWYEA-GOSISDBHSA-N 0 0 422.441 4.411 20 5 HIBDRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000476787227 891768059 /nfs/dbraw/zinc/76/80/59/891768059.db2.gz JKRHIHULNPQNCO-AWEZNQCLSA-N 0 0 421.291 4.459 20 5 HIBDRN COc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1[N+](=O)[O-] ZINC000476878019 891837271 /nfs/dbraw/zinc/83/72/71/891837271.db2.gz YBGMOIFFCUDAIL-UHFFFAOYSA-N 0 0 412.442 4.307 20 5 HIBDRN COC(=O)c1cccc(OCc2noc([C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000476937199 891879796 /nfs/dbraw/zinc/87/97/96/891879796.db2.gz JODKEVCXLZFDII-LBPRGKRZSA-N 0 0 415.427 4.197 20 5 HIBDRN C[C@@H](SCc1c([N+](=O)[O-])ncn1C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000476997860 891923966 /nfs/dbraw/zinc/92/39/66/891923966.db2.gz RYCKAWHPCRQRBE-SECBINFHSA-N 0 0 417.472 4.293 20 5 HIBDRN COc1c(C(=O)N(C)Cc2ccc(Br)cc2Cl)cccc1[N+](=O)[O-] ZINC000477010532 891937567 /nfs/dbraw/zinc/93/75/67/891937567.db2.gz JOXHQSSRCBLWHP-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN O=C(Nc1cccc(C(=O)NCc2ccccc2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000477083021 892016732 /nfs/dbraw/zinc/01/67/32/892016732.db2.gz OWHHAXSCYZDAPC-UHFFFAOYSA-N 0 0 414.421 4.258 20 5 HIBDRN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477088266 892021391 /nfs/dbraw/zinc/02/13/91/892021391.db2.gz MRKMEDXVZZHCOS-OAHLLOKOSA-N 0 0 410.451 4.382 20 5 HIBDRN NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c(F)c1 ZINC000477114248 892043246 /nfs/dbraw/zinc/04/32/46/892043246.db2.gz OTHPSJRGFOYWNZ-UHFFFAOYSA-N 0 0 411.414 4.236 20 5 HIBDRN CCOCCOc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000477209972 892141051 /nfs/dbraw/zinc/14/10/51/892141051.db2.gz WZZQMTAWLRBJIW-CYBMUJFWSA-N 0 0 407.854 4.103 20 5 HIBDRN CC1(C)CO[C@H](c2ccccc2Cl)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477229557 892165785 /nfs/dbraw/zinc/16/57/85/892165785.db2.gz SMMWMQAUJRJIBK-SFHVURJKSA-N 0 0 406.841 4.309 20 5 HIBDRN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000477254298 892206514 /nfs/dbraw/zinc/20/65/14/892206514.db2.gz XXCHROCVFFHRCQ-UHFFFAOYSA-N 0 0 407.829 4.049 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000477277844 892229528 /nfs/dbraw/zinc/22/95/28/892229528.db2.gz LMSQKICKRYUCSS-UHFFFAOYSA-N 0 0 401.850 4.481 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(Br)c(F)c1 ZINC000477371023 892334067 /nfs/dbraw/zinc/33/40/67/892334067.db2.gz FWZLHTSUMLJZRU-UHFFFAOYSA-N 0 0 401.619 4.388 20 5 HIBDRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000477387554 892345395 /nfs/dbraw/zinc/34/53/95/892345395.db2.gz ZIGSSDKIZYOAGY-SKDRFNHKSA-N 0 0 409.202 4.089 20 5 HIBDRN Cc1ccc(Nc2nc(Cn3cc(Br)c(=O)c([N+](=O)[O-])c3)cs2)cc1 ZINC000477395062 892350293 /nfs/dbraw/zinc/35/02/93/892350293.db2.gz GNANGRONZISWEO-UHFFFAOYSA-N 0 0 421.276 4.076 20 5 HIBDRN CC(C)(C)c1ccc(OCCCn2cc(Br)c(=O)c([N+](=O)[O-])c2)cc1 ZINC000477423724 892376707 /nfs/dbraw/zinc/37/67/07/892376707.db2.gz BMXQQKINTZZNSQ-UHFFFAOYSA-N 0 0 409.280 4.286 20 5 HIBDRN Cc1coc(-c2cc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)ccc2C)n1 ZINC000477441959 892392569 /nfs/dbraw/zinc/39/25/69/892392569.db2.gz HUEFQOSHLJFLKE-UHFFFAOYSA-N 0 0 401.444 4.284 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000477444868 892395016 /nfs/dbraw/zinc/39/50/16/892395016.db2.gz OSQYXRFYBGFVMO-HNNXBMFYSA-N 0 0 408.813 4.126 20 5 HIBDRN CC(C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477448307 892399044 /nfs/dbraw/zinc/39/90/44/892399044.db2.gz SDERESKHIZWCFF-UHFFFAOYSA-N 0 0 409.255 4.476 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000477472333 892450101 /nfs/dbraw/zinc/45/01/01/892450101.db2.gz TYBLUERWOMWNGS-UHFFFAOYSA-N 0 0 411.364 4.307 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1 ZINC000477488210 892484338 /nfs/dbraw/zinc/48/43/38/892484338.db2.gz XATUDNMOHBAGLC-UHFFFAOYSA-N 0 0 411.245 4.224 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000477487308 892484689 /nfs/dbraw/zinc/48/46/89/892484689.db2.gz VJVJJPCPRMAUHV-GOSISDBHSA-N 0 0 419.865 4.170 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCCc3ccc(F)cc32)c([N+](=O)[O-])cc1OC(F)F ZINC000477506438 892516372 /nfs/dbraw/zinc/51/63/72/892516372.db2.gz UXTURVJDKUPOPO-CQSZACIVSA-N 0 0 410.348 4.151 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000477670176 892803809 /nfs/dbraw/zinc/80/38/09/892803809.db2.gz FNHVNIVKKFQBMZ-LLVKDONJSA-N 0 0 418.812 4.194 20 5 HIBDRN Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cn1 ZINC000477673020 892804623 /nfs/dbraw/zinc/80/46/23/892804623.db2.gz KXADGVSQIITQNC-UHFFFAOYSA-N 0 0 412.424 4.473 20 5 HIBDRN Cc1nc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)oc1-c1ccc(Cl)cc1 ZINC000477719106 892824988 /nfs/dbraw/zinc/82/49/88/892824988.db2.gz OYNKGAFRXWAYFY-UHFFFAOYSA-N 0 0 403.797 4.210 20 5 HIBDRN C[S@@](=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1F ZINC000477744916 892839898 /nfs/dbraw/zinc/83/98/98/892839898.db2.gz CQSGONFFCZZDOB-GDLZYMKVSA-N 0 0 413.430 4.467 20 5 HIBDRN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cn1 ZINC000477771473 892857383 /nfs/dbraw/zinc/85/73/83/892857383.db2.gz CWAPKEQHGUMHBG-SNVBAGLBSA-N 0 0 410.243 4.046 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc([N+](=O)[O-])c1C ZINC000477772762 892858067 /nfs/dbraw/zinc/85/80/67/892858067.db2.gz GHFISJVMSOAXEQ-CQSZACIVSA-N 0 0 415.515 4.267 20 5 HIBDRN CO[C@@]1(C)CCCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000477835244 892896610 /nfs/dbraw/zinc/89/66/10/892896610.db2.gz HCOFUTSZWFAKJY-INIZCTEOSA-N 0 0 406.426 4.123 20 5 HIBDRN CO[C@@]1(C)CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000477837578 892898420 /nfs/dbraw/zinc/89/84/20/892898420.db2.gz LELAQTVJSBHEEI-JKSBSHDWSA-N 0 0 403.523 4.108 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)CCOCC(F)(F)C(F)F)n2)cc1[N+](=O)[O-] ZINC000477878868 892941374 /nfs/dbraw/zinc/94/13/74/892941374.db2.gz OGKSKCJXXPWEAL-UHFFFAOYSA-N 0 0 421.372 4.272 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000478026052 893152478 /nfs/dbraw/zinc/15/24/78/893152478.db2.gz GHPWQUYIPIGMBO-NSHDSACASA-N 0 0 412.273 4.369 20 5 HIBDRN CN(CCn1ccc([N+](=O)[O-])n1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000478031964 893161623 /nfs/dbraw/zinc/16/16/23/893161623.db2.gz IFVYHCIPLFNKJT-UHFFFAOYSA-N 0 0 407.352 4.134 20 5 HIBDRN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000478049187 893193758 /nfs/dbraw/zinc/19/37/58/893193758.db2.gz YETJVOVEFIUXHQ-UHFFFAOYSA-N 0 0 420.469 4.111 20 5 HIBDRN COc1cc(C)c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1F ZINC000478055582 893209897 /nfs/dbraw/zinc/20/98/97/893209897.db2.gz SJMVEIPSDSJVLB-UHFFFAOYSA-N 0 0 412.421 4.165 20 5 HIBDRN COCc1cccc(OCC2(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CCC2)c1 ZINC000478060135 893217393 /nfs/dbraw/zinc/21/73/93/893217393.db2.gz HGOGMZQONOINHV-UHFFFAOYSA-N 0 0 408.458 4.249 20 5 HIBDRN Cc1noc(-c2ccccc2)c1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000478088974 893252409 /nfs/dbraw/zinc/25/24/09/893252409.db2.gz MTIJQPACHREGQT-UHFFFAOYSA-N 0 0 404.382 4.124 20 5 HIBDRN O=C(c1ccc(Cl)s1)N1CCC(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000505009194 913753506 /nfs/dbraw/zinc/75/35/06/913753506.db2.gz PLGUIFOWMJSZRG-UHFFFAOYSA-N 0 0 418.862 4.380 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000478187958 893351078 /nfs/dbraw/zinc/35/10/78/893351078.db2.gz XKDJZPJXIBNIQD-ZTFRIQLXSA-N 0 0 408.426 4.349 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(Br)ccc1N1CCCC1 ZINC000478236362 893399147 /nfs/dbraw/zinc/39/91/47/893399147.db2.gz XRGALFBDRNGPRM-UHFFFAOYSA-N 0 0 404.264 4.139 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000478237579 893399990 /nfs/dbraw/zinc/39/99/90/893399990.db2.gz ZKKBIMBDOCRTGV-GDBMZVCRSA-N 0 0 402.422 4.207 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1OC ZINC000478259829 893440944 /nfs/dbraw/zinc/44/09/44/893440944.db2.gz PQEZOSDSFCVJHZ-GOEBONIOSA-N 0 0 402.422 4.207 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1ccc([N+](=O)[O-])cc1F ZINC000478298319 893514538 /nfs/dbraw/zinc/51/45/38/893514538.db2.gz HEIGFOGZUCWGIP-UHFFFAOYSA-N 0 0 401.438 4.371 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2nnc3ccc(C(F)(F)F)cn32)c(Br)c1 ZINC000478303551 893521549 /nfs/dbraw/zinc/52/15/49/893521549.db2.gz OBTIGXIHYFMTAD-UHFFFAOYSA-N 0 0 416.157 4.031 20 5 HIBDRN Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1F ZINC000478323030 893553366 /nfs/dbraw/zinc/55/33/66/893553366.db2.gz IUJBBWZRGNHJJM-MRXNPFEDSA-N 0 0 405.227 4.431 20 5 HIBDRN CCOc1cc(OC[C@@H](O)COc2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] ZINC000478398955 893681249 /nfs/dbraw/zinc/68/12/49/893681249.db2.gz MCWZONKOOUOQRX-LLVKDONJSA-N 0 0 402.230 4.119 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2nccs2)c2ccccc2)cc1SC ZINC000505063316 913800990 /nfs/dbraw/zinc/80/09/90/913800990.db2.gz OPBFYZFUJYUWFT-QGZVFWFLSA-N 0 0 415.496 4.301 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000478458484 893781313 /nfs/dbraw/zinc/78/13/13/893781313.db2.gz FREIDKBSNSUUJS-HNNXBMFYSA-N 0 0 402.756 4.039 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000505075861 913806262 /nfs/dbraw/zinc/80/62/62/913806262.db2.gz KHVFUGZFAGKMOS-UHFFFAOYSA-N 0 0 400.769 4.083 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000478498311 893813962 /nfs/dbraw/zinc/81/39/62/893813962.db2.gz FOWHUSNBQORPGK-VIFPVBQESA-N 0 0 421.276 4.300 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000478497179 893814155 /nfs/dbraw/zinc/81/41/55/893814155.db2.gz ZOJAQXKXEYMCFG-OAHLLOKOSA-N 0 0 402.756 4.039 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(C3=Cc4cc(Br)ccc4OC3)n2)cc1 ZINC000505092927 913813271 /nfs/dbraw/zinc/81/32/71/913813271.db2.gz BQQKOYVSGNEMKE-UHFFFAOYSA-N 0 0 400.188 4.340 20 5 HIBDRN Cc1c(CNC(=O)NCC2(c3ccccc3Cl)CCOCC2)cccc1[N+](=O)[O-] ZINC000478634384 893887443 /nfs/dbraw/zinc/88/74/43/893887443.db2.gz VQXUZURKNHDVES-UHFFFAOYSA-N 0 0 417.893 4.104 20 5 HIBDRN CNc1c(C(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)cccc1[N+](=O)[O-] ZINC000478655030 893898100 /nfs/dbraw/zinc/89/81/00/893898100.db2.gz HAFPOQAKRIODCV-UHFFFAOYSA-N 0 0 405.336 4.093 20 5 HIBDRN CC(C)c1ncc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000478659245 893902505 /nfs/dbraw/zinc/90/25/05/893902505.db2.gz PEGAOVZUCQOLPU-UHFFFAOYSA-N 0 0 400.382 4.258 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000478693504 893952704 /nfs/dbraw/zinc/95/27/04/893952704.db2.gz ZEUKTKXXKXJISR-IAQYHMDHSA-N 0 0 408.813 4.185 20 5 HIBDRN CC(C)c1csc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000478710162 893976311 /nfs/dbraw/zinc/97/63/11/893976311.db2.gz KVSXNXSBHVZHTA-UHFFFAOYSA-N 0 0 402.520 4.341 20 5 HIBDRN Cc1c(CNC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000478815009 894088093 /nfs/dbraw/zinc/08/80/93/894088093.db2.gz QZAUJVXQIJLGIA-UHFFFAOYSA-N 0 0 424.501 4.421 20 5 HIBDRN COc1ccc2ccccc2c1-c1cc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)on1 ZINC000478836658 894115750 /nfs/dbraw/zinc/11/57/50/894115750.db2.gz RAEUITFRVUUORV-UHFFFAOYSA-N 0 0 417.421 4.271 20 5 HIBDRN COc1cc(C(=O)Nc2ncc(Cc3ccccc3F)s2)cc([N+](=O)[O-])c1C ZINC000478838923 894117693 /nfs/dbraw/zinc/11/76/93/894117693.db2.gz GPODCWYQVPCPME-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN CCOc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000505141658 913838970 /nfs/dbraw/zinc/83/89/70/913838970.db2.gz XRXBKPMXNUZEIQ-UHFFFAOYSA-N 0 0 404.850 4.083 20 5 HIBDRN O=C(NCc1csc(-c2ccco2)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000478858981 894138581 /nfs/dbraw/zinc/13/85/81/894138581.db2.gz RYOAECBVJRSGPR-UHFFFAOYSA-N 0 0 412.452 4.365 20 5 HIBDRN CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000505149916 913843759 /nfs/dbraw/zinc/84/37/59/913843759.db2.gz ZPEHLZGDRMKQLN-HUUCEWRRSA-N 0 0 415.515 4.091 20 5 HIBDRN CC(C)Sc1ccc([C@H](C)NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000505149915 913843853 /nfs/dbraw/zinc/84/38/53/913843853.db2.gz ZPEHLZGDRMKQLN-GJZGRUSLSA-N 0 0 415.515 4.091 20 5 HIBDRN Cc1cc(OCC(=O)N(Cc2ccccc2)CC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000478911796 894191664 /nfs/dbraw/zinc/19/16/64/894191664.db2.gz SJWKNSMBCSNXCV-UHFFFAOYSA-N 0 0 400.328 4.012 20 5 HIBDRN Nc1c(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000505157062 913847965 /nfs/dbraw/zinc/84/79/65/913847965.db2.gz RUXFALSEZWWLKJ-UHFFFAOYSA-N 0 0 422.254 4.098 20 5 HIBDRN CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000478949336 894231856 /nfs/dbraw/zinc/23/18/56/894231856.db2.gz GHMAIVQXWABZNM-UHFFFAOYSA-N 0 0 405.241 4.360 20 5 HIBDRN Cc1c(CNC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cccc1[N+](=O)[O-] ZINC000478964783 894243436 /nfs/dbraw/zinc/24/34/36/894243436.db2.gz ZSHLMHWPEJDHLU-KRWDZBQOSA-N 0 0 405.401 4.381 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C[C@H](C)O1 ZINC000479009946 894277326 /nfs/dbraw/zinc/27/73/26/894277326.db2.gz JJVLWSQFUIHVHJ-OKILXGFUSA-N 0 0 403.866 4.110 20 5 HIBDRN Cc1coc2ccc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc12 ZINC000479039461 894300947 /nfs/dbraw/zinc/30/09/47/894300947.db2.gz FDVKAAPAVSMTBN-UHFFFAOYSA-N 0 0 409.427 4.181 20 5 HIBDRN COC(=O)c1ccc([C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000479120260 894389559 /nfs/dbraw/zinc/38/95/59/894389559.db2.gz VBTJKAJOYYRDIG-CQSZACIVSA-N 0 0 416.739 4.068 20 5 HIBDRN CSc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000505178665 913865085 /nfs/dbraw/zinc/86/50/85/913865085.db2.gz JSKCWLZCQHMSNV-UHFFFAOYSA-N 0 0 406.891 4.406 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1noc(C)n1 ZINC000505183678 913868128 /nfs/dbraw/zinc/86/81/28/913868128.db2.gz KNRRLNFUIOMQTI-SFHVURJKSA-N 0 0 424.438 4.029 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(OCc2ccnc(-c3ccc(Br)cc3)n2)n1 ZINC000479185236 894453045 /nfs/dbraw/zinc/45/30/45/894453045.db2.gz SXHVWKNFCSLTBF-UHFFFAOYSA-N 0 0 415.247 4.405 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2C(=O)COc2nc(C)cc(C)c2[N+](=O)[O-])cc1 ZINC000479186666 894455403 /nfs/dbraw/zinc/45/54/03/894455403.db2.gz MJTQAERFUCTGJI-LJQANCHMSA-N 0 0 413.474 4.138 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(C)C)c1 ZINC000479190915 894457969 /nfs/dbraw/zinc/45/79/69/894457969.db2.gz OGXKOYIWPHUULZ-UHFFFAOYSA-N 0 0 416.499 4.303 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000479195587 894461034 /nfs/dbraw/zinc/46/10/34/894461034.db2.gz WVTLAYFPCRFGMY-UHFFFAOYSA-N 0 0 420.263 4.218 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000505189964 913872064 /nfs/dbraw/zinc/87/20/64/913872064.db2.gz KASDFDWYZWUZAI-UHFFFAOYSA-N 0 0 408.748 4.166 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Cc2ccc(OCc3ccccn3)cc2)cc1[N+](=O)[O-] ZINC000505197521 913876692 /nfs/dbraw/zinc/87/66/92/913876692.db2.gz NJVSSAGVGGMJOG-QGZVFWFLSA-N 0 0 405.454 4.297 20 5 HIBDRN Cc1cc(F)ccc1-n1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)nn1 ZINC000505196752 913876719 /nfs/dbraw/zinc/87/67/19/913876719.db2.gz LGNVCVVRWGWTTQ-UHFFFAOYSA-N 0 0 409.421 4.212 20 5 HIBDRN CSc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1[N+](=O)[O-] ZINC000479267842 894540171 /nfs/dbraw/zinc/54/01/71/894540171.db2.gz ANHUVMKRPUHDLY-INIZCTEOSA-N 0 0 410.854 4.323 20 5 HIBDRN Cc1ccc(F)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1Br ZINC000479285164 894565559 /nfs/dbraw/zinc/56/55/59/894565559.db2.gz PLZAACLRILARGJ-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN COc1cccc(Oc2ncccc2CNC(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000479309580 894595460 /nfs/dbraw/zinc/59/54/60/894595460.db2.gz FQRLIZVCVRRPHD-UHFFFAOYSA-N 0 0 422.441 4.099 20 5 HIBDRN CC(=O)Nc1sc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)nc1-c1ccccc1 ZINC000479347890 894642994 /nfs/dbraw/zinc/64/29/94/894642994.db2.gz LMCMXXAEFHGYJD-UHFFFAOYSA-N 0 0 421.438 4.410 20 5 HIBDRN CCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCc2cccnc21 ZINC000479356273 894653473 /nfs/dbraw/zinc/65/34/73/894653473.db2.gz HQDRRJKEEMWRIL-HXUWFJFHSA-N 0 0 405.458 4.105 20 5 HIBDRN CCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCc2cccnc21 ZINC000479361963 894661765 /nfs/dbraw/zinc/66/17/65/894661765.db2.gz QUWNGMKFFLVJKO-HXUWFJFHSA-N 0 0 405.458 4.105 20 5 HIBDRN Cc1ccc(Br)c(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000479367416 894667535 /nfs/dbraw/zinc/66/75/35/894667535.db2.gz ZQESGHHIUJHNRF-UHFFFAOYSA-N 0 0 401.220 4.308 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1[N+](=O)[O-] ZINC000505252507 913906354 /nfs/dbraw/zinc/90/63/54/913906354.db2.gz ZFIZFDRJSROREA-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN COc1ccc(CSCC(=O)N(CCc2cccc(F)c2)C2CC2)cc1[N+](=O)[O-] ZINC000505256681 913910241 /nfs/dbraw/zinc/91/02/41/913910241.db2.gz CMROFKQOUGKKBN-UHFFFAOYSA-N 0 0 418.490 4.209 20 5 HIBDRN Cn1cc([C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC000479621857 894890808 /nfs/dbraw/zinc/89/08/08/894890808.db2.gz SUEBMZYLLCBELZ-FQEVSTJZSA-N 0 0 410.449 4.284 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1Cl ZINC000479623197 894891203 /nfs/dbraw/zinc/89/12/03/894891203.db2.gz ZPXILQMXOWKJST-UHFFFAOYSA-N 0 0 400.822 4.473 20 5 HIBDRN Cn1cc([C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccc(F)cc2)cn1 ZINC000479627665 894895056 /nfs/dbraw/zinc/89/50/56/894895056.db2.gz SFFQLPRKDOCYTQ-LJQANCHMSA-N 0 0 410.430 4.202 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cnn(-c2ccccc2C)c1C(C)C ZINC000479637129 894903693 /nfs/dbraw/zinc/90/36/93/894903693.db2.gz XEDHWQCYVZRRMS-UHFFFAOYSA-N 0 0 408.458 4.151 20 5 HIBDRN Cn1cc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccc(F)cc2)cn1 ZINC000479644743 894914477 /nfs/dbraw/zinc/91/44/77/894914477.db2.gz OCLLWCSMMKDGIG-KRWDZBQOSA-N 0 0 422.338 4.006 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc([N+](=O)[O-])c1C ZINC000479658301 894932139 /nfs/dbraw/zinc/93/21/39/894932139.db2.gz GVQUEBIHNNONAF-UHFFFAOYSA-N 0 0 406.442 4.364 20 5 HIBDRN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000505263020 913918622 /nfs/dbraw/zinc/91/86/22/913918622.db2.gz ZOGJBKCQLKORPN-PMACEKPBSA-N 0 0 407.426 4.078 20 5 HIBDRN C[C@@H](S[C@H](C)C(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000479723402 895020670 /nfs/dbraw/zinc/02/06/70/895020670.db2.gz TZDUHVFNXRDDHH-NXEZZACHSA-N 0 0 422.425 4.404 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000479753206 895051896 /nfs/dbraw/zinc/05/18/96/895051896.db2.gz KVIXGZAZIXZTIQ-CYBMUJFWSA-N 0 0 408.380 4.322 20 5 HIBDRN CC(C)(C)c1nc2cc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)ccc2o1 ZINC000479777815 895079002 /nfs/dbraw/zinc/07/90/02/895079002.db2.gz HMLAGYLGVRQIMI-UHFFFAOYSA-N 0 0 405.414 4.472 20 5 HIBDRN O=C(Nc1ccc(OCc2ccncc2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479786129 895089811 /nfs/dbraw/zinc/08/98/11/895089811.db2.gz RXEHIACYWFCVSJ-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN CC(C)COC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000505276794 913934359 /nfs/dbraw/zinc/93/43/59/913934359.db2.gz ABUOGGMEVUNRGH-HIFRSBDPSA-N 0 0 410.854 4.139 20 5 HIBDRN Cc1ccc(CNC(=O)c2cccc(CNCc3ccc([N+](=O)[O-])cc3F)c2)cc1 ZINC000479917461 895264536 /nfs/dbraw/zinc/26/45/36/895264536.db2.gz BDPHOLZCORFURA-UHFFFAOYSA-N 0 0 407.445 4.262 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000479927214 895275360 /nfs/dbraw/zinc/27/53/60/895275360.db2.gz IBYUXJISCJCWEV-UHFFFAOYSA-N 0 0 400.508 4.364 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000505293265 913952115 /nfs/dbraw/zinc/95/21/15/913952115.db2.gz GKCDUSMKRXCMHR-UHFFFAOYSA-N 0 0 404.728 4.207 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)ccc2Sc2nccn2C)cc([N+](=O)[O-])c1C ZINC000479937624 895288045 /nfs/dbraw/zinc/28/80/45/895288045.db2.gz FOKLVZUKZOYEKI-UHFFFAOYSA-N 0 0 416.434 4.188 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000479975163 895329876 /nfs/dbraw/zinc/32/98/76/895329876.db2.gz LXSVNWUXWRJJMS-UHFFFAOYSA-N 0 0 423.311 4.042 20 5 HIBDRN CCc1[nH]nc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1Br ZINC000479995241 895348227 /nfs/dbraw/zinc/34/82/27/895348227.db2.gz ZCIBUVKGAGYQRR-UHFFFAOYSA-N 0 0 422.264 4.019 20 5 HIBDRN COc1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc([N+](=O)[O-])c1C ZINC000480040024 895387828 /nfs/dbraw/zinc/38/78/28/895387828.db2.gz VLASBFFCJCAHSF-UHFFFAOYSA-N 0 0 409.442 4.272 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000480065091 895413890 /nfs/dbraw/zinc/41/38/90/895413890.db2.gz ZDLSQTIJWMKHAM-UHFFFAOYSA-N 0 0 410.474 4.241 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cccc1[N+](=O)[O-] ZINC000480065715 895415269 /nfs/dbraw/zinc/41/52/69/895415269.db2.gz VQBPAIKYCFEPAK-UHFFFAOYSA-N 0 0 417.315 4.428 20 5 HIBDRN C[C@H]1CO[C@@H](c2ccccc2Cl)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000480065722 895416328 /nfs/dbraw/zinc/41/63/28/895416328.db2.gz XBZRCJAFOFLISL-YVEFUNNKSA-N 0 0 400.822 4.265 20 5 HIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000480074133 895426544 /nfs/dbraw/zinc/42/65/44/895426544.db2.gz WFZXPRJLFBRQAH-UHFFFAOYSA-N 0 0 421.501 4.356 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000480074884 895426898 /nfs/dbraw/zinc/42/68/98/895426898.db2.gz YNJMFKASMFBLIH-UHFFFAOYSA-N 0 0 407.780 4.068 20 5 HIBDRN O=C(CNc1cc(F)cc([N+](=O)[O-])c1)Nc1ccc(Br)cc1Cl ZINC000480160311 895547125 /nfs/dbraw/zinc/54/71/25/895547125.db2.gz GFMOQECRIIIEHW-UHFFFAOYSA-N 0 0 402.607 4.200 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000480171387 895562559 /nfs/dbraw/zinc/56/25/59/895562559.db2.gz SWXVTWMJRYUKOI-UHFFFAOYSA-N 0 0 413.474 4.228 20 5 HIBDRN Cc1cc([C@H]2CN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CCO2)ccc1F ZINC000480188739 895585005 /nfs/dbraw/zinc/58/50/05/895585005.db2.gz ZVEDSUAKHDYYIO-MGPUTAFESA-N 0 0 401.438 4.195 20 5 HIBDRN O=C(N[C@H]1CCCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1Br ZINC000480206382 895607061 /nfs/dbraw/zinc/60/70/61/895607061.db2.gz MLZMGEROXZEVOV-HNNXBMFYSA-N 0 0 409.211 4.140 20 5 HIBDRN CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000480262005 895669893 /nfs/dbraw/zinc/66/98/93/895669893.db2.gz XOKKYYMBDOKDHQ-RYUDHWBXSA-N 0 0 418.416 4.119 20 5 HIBDRN COc1cc(OC)cc([C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c2nccn2C)c1 ZINC000480330765 895733421 /nfs/dbraw/zinc/73/34/21/895733421.db2.gz GCYUOEOOUOWNRN-BTYIYWSLSA-N 0 0 410.474 4.094 20 5 HIBDRN COc1cccc(C(=O)c2ccc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])cc2)c1 ZINC000480334688 895739456 /nfs/dbraw/zinc/73/94/56/895739456.db2.gz ZEDPQAYFKUNPNC-UHFFFAOYSA-N 0 0 406.394 4.095 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000480374059 895781257 /nfs/dbraw/zinc/78/12/57/895781257.db2.gz AZMDSPXDRFYJDE-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000480377660 895783770 /nfs/dbraw/zinc/78/37/70/895783770.db2.gz LTVRSVUJMYOSDA-UHFFFAOYSA-N 0 0 410.474 4.273 20 5 HIBDRN COc1cccc(C(NC(=O)c2ccc([N+](=O)[O-])cc2F)c2cccc(OC)c2)c1 ZINC000480389190 895795885 /nfs/dbraw/zinc/79/58/85/895795885.db2.gz ROXSPWQKSWDLKS-UHFFFAOYSA-N 0 0 410.401 4.271 20 5 HIBDRN COc1cccc(C(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2cccc(OC)c2)c1 ZINC000480399305 895803434 /nfs/dbraw/zinc/80/34/34/895803434.db2.gz YUTMZVYOQWVQNP-UHFFFAOYSA-N 0 0 422.437 4.140 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480412807 895812774 /nfs/dbraw/zinc/81/27/74/895812774.db2.gz XQLDQVHMJJMQOI-UHFFFAOYSA-N 0 0 408.458 4.027 20 5 HIBDRN Cc1ccc(CN2CC[C@H](NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000480461746 895846412 /nfs/dbraw/zinc/84/64/12/895846412.db2.gz AJRXPYGULJEKRG-NRFANRHFSA-N 0 0 405.454 4.054 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(c2ncc[nH]2)CC1 ZINC000480484934 895861688 /nfs/dbraw/zinc/86/16/88/895861688.db2.gz RJCYLDZAYWEARV-UHFFFAOYSA-N 0 0 402.252 4.013 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NCC2(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000480492882 895865310 /nfs/dbraw/zinc/86/53/10/895865310.db2.gz ISOVXFIATFAVOC-UHFFFAOYSA-N 0 0 404.369 4.070 20 5 HIBDRN Cc1c(Br)cccc1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000480543718 895905666 /nfs/dbraw/zinc/90/56/66/895905666.db2.gz XFSCQJNZPFPLAT-UHFFFAOYSA-N 0 0 411.683 4.221 20 5 HIBDRN CNC(=O)c1ccc(Nc2ccc(N3CCCCC3)c3ncccc23)c([N+](=O)[O-])c1 ZINC000480567855 895928662 /nfs/dbraw/zinc/92/86/62/895928662.db2.gz MZVPUCLLRKHAKV-UHFFFAOYSA-N 0 0 405.458 4.237 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)c1[N+](=O)[O-] ZINC000480712199 896075034 /nfs/dbraw/zinc/07/50/34/896075034.db2.gz INOAXSSNLGFCLU-MRXNPFEDSA-N 0 0 420.487 4.011 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000505372892 914036400 /nfs/dbraw/zinc/03/64/00/914036400.db2.gz OEOFXDPQPJXRIC-KRWDZBQOSA-N 0 0 419.279 4.045 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3nc(-c4c(F)cccc4F)cs3)C2)nc1 ZINC000480773766 896138663 /nfs/dbraw/zinc/13/86/63/896138663.db2.gz UBFQGSSQHXEVJK-GFCCVEGCSA-N 0 0 417.441 4.078 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000480783828 896150502 /nfs/dbraw/zinc/15/05/02/896150502.db2.gz ZKKCINZJIDKXOY-UHFFFAOYSA-N 0 0 403.410 4.053 20 5 HIBDRN CCCOc1cc(NC(=O)c2cn3cc(C)nc3s2)c([N+](=O)[O-])cc1OCCC ZINC000505376129 914038190 /nfs/dbraw/zinc/03/81/90/914038190.db2.gz ZLTONIQXCHZUDQ-UHFFFAOYSA-N 0 0 418.475 4.442 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCc2cc(Br)ccc2C1 ZINC000480811134 896180778 /nfs/dbraw/zinc/18/07/78/896180778.db2.gz LAPOJMATUOHXOL-UHFFFAOYSA-N 0 0 407.289 4.034 20 5 HIBDRN CSc1ccc(C(=O)N2CCc3cc(Br)ccc3C2)cc1[N+](=O)[O-] ZINC000480820272 896193822 /nfs/dbraw/zinc/19/38/22/896193822.db2.gz TZAMLECCNQBUKS-UHFFFAOYSA-N 0 0 407.289 4.278 20 5 HIBDRN C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000480845302 896217913 /nfs/dbraw/zinc/21/79/13/896217913.db2.gz YPFZDPYZLGNLSX-ZETCQYMHSA-N 0 0 402.046 4.083 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cncc(Cl)c1Cl ZINC000480866089 896230767 /nfs/dbraw/zinc/23/07/67/896230767.db2.gz PVKBSAFUPBDESK-UHFFFAOYSA-N 0 0 402.259 4.287 20 5 HIBDRN Cc1[nH]nc(C(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)c1[N+](=O)[O-] ZINC000505383550 914047223 /nfs/dbraw/zinc/04/72/23/914047223.db2.gz ACBGQPDMYTWBKT-UHFFFAOYSA-N 0 0 424.804 4.268 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000505386930 914050552 /nfs/dbraw/zinc/05/05/52/914050552.db2.gz KAXDPLIYDJUMTB-KRWDZBQOSA-N 0 0 409.364 4.211 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)c2ccc(Br)cc2C)c1C ZINC000480922224 896279845 /nfs/dbraw/zinc/27/98/45/896279845.db2.gz APVIPHFJYUMJMN-UHFFFAOYSA-N 0 0 413.293 4.108 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1C ZINC000480939839 896288445 /nfs/dbraw/zinc/28/84/45/896288445.db2.gz UWGUFTLQLIMELP-MRXNPFEDSA-N 0 0 417.512 4.347 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N(Cc2ccsc2)c2cccnc2)c1[N+](=O)[O-] ZINC000481051959 896374562 /nfs/dbraw/zinc/37/45/62/896374562.db2.gz CPYAYBUJHQOELC-UHFFFAOYSA-N 0 0 403.485 4.064 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000505399464 914064159 /nfs/dbraw/zinc/06/41/59/914064159.db2.gz ISMHKABILUDBKM-INIZCTEOSA-N 0 0 412.471 4.427 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1[N+](=O)[O-] ZINC000481089959 896411471 /nfs/dbraw/zinc/41/14/71/896411471.db2.gz HQRZLUPBHPBRMY-UHFFFAOYSA-N 0 0 405.458 4.099 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000505403447 914069844 /nfs/dbraw/zinc/06/98/44/914069844.db2.gz PICRSVRXXBRQRW-HNNXBMFYSA-N 0 0 422.281 4.412 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](O)Cc1ccccc1 ZINC000481147931 896476934 /nfs/dbraw/zinc/47/69/34/896476934.db2.gz VIQWJWLQHAJXHZ-SFHVURJKSA-N 0 0 402.516 4.163 20 5 HIBDRN COc1ccc(CSCC(=O)N(Cc2c(F)cccc2F)C2CC2)cc1[N+](=O)[O-] ZINC000481148196 896477269 /nfs/dbraw/zinc/47/72/69/896477269.db2.gz YWTANPOKTLDXFF-UHFFFAOYSA-N 0 0 422.453 4.306 20 5 HIBDRN CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000481155489 896487918 /nfs/dbraw/zinc/48/79/18/896487918.db2.gz POKTWAJFZQIRJS-INIZCTEOSA-N 0 0 414.355 4.482 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1ccc2ccccc21 ZINC000481172568 896507295 /nfs/dbraw/zinc/50/72/95/896507295.db2.gz XRQYTIQXGVLKFQ-UHFFFAOYSA-N 0 0 413.499 4.108 20 5 HIBDRN CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2C)ccn1 ZINC000481174768 896509984 /nfs/dbraw/zinc/50/99/84/896509984.db2.gz ONXREWJKYVLSOP-UHFFFAOYSA-N 0 0 420.425 4.011 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000481244029 896595415 /nfs/dbraw/zinc/59/54/15/896595415.db2.gz ZFYILPZFVZJBQA-LLVKDONJSA-N 0 0 419.261 4.219 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc2cc(F)c(Br)cc2s1 ZINC000481287078 896633132 /nfs/dbraw/zinc/63/31/32/896633132.db2.gz OBQFAIGAZSUPHT-UHFFFAOYSA-N 0 0 410.224 4.287 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H](C(C)C)C(C)(C)O)cc2[N+](=O)[O-])n1 ZINC000481312291 896659906 /nfs/dbraw/zinc/65/99/06/896659906.db2.gz HNTAJJSAOFSNTF-HNNXBMFYSA-N 0 0 409.533 4.036 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1 ZINC000505422539 914087494 /nfs/dbraw/zinc/08/74/94/914087494.db2.gz WPZVIJQNPDIYHN-UHFFFAOYSA-N 0 0 418.405 4.255 20 5 HIBDRN C[C@@](O)(CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CCCCC1 ZINC000481315888 896668126 /nfs/dbraw/zinc/66/81/26/896668126.db2.gz ZEEBPOVMQJUQOI-HSZRJFAPSA-N 0 0 414.452 4.021 20 5 HIBDRN CCn1c(SCc2ccc(-n3cccn3)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481339868 896704649 /nfs/dbraw/zinc/70/46/49/896704649.db2.gz NNEABYIDDQSTBB-UHFFFAOYSA-N 0 0 406.471 4.351 20 5 HIBDRN CCn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481357712 896735029 /nfs/dbraw/zinc/73/50/29/896735029.db2.gz IKPMYOIDGCEFEX-UHFFFAOYSA-N 0 0 408.443 4.216 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000481377629 896774197 /nfs/dbraw/zinc/77/41/97/896774197.db2.gz KPSHBLCCKKMXIF-SGTLLEGYSA-N 0 0 402.838 4.164 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000481388485 896791346 /nfs/dbraw/zinc/79/13/46/896791346.db2.gz XTQQVZXTAFRGIJ-AWEZNQCLSA-N 0 0 402.447 4.280 20 5 HIBDRN Cn1c2ccccc2nc1[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000481417139 896820461 /nfs/dbraw/zinc/82/04/61/896820461.db2.gz ISVWILXMVZRGBR-JOCHJYFZSA-N 0 0 402.454 4.240 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000481419997 896823094 /nfs/dbraw/zinc/82/30/94/896823094.db2.gz XGMXYEULSBIRJW-UHFFFAOYSA-N 0 0 407.323 4.433 20 5 HIBDRN CC(C)Oc1cccc([C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000481451781 896848307 /nfs/dbraw/zinc/84/83/07/896848307.db2.gz YAGGMFRRGABUEV-KRWDZBQOSA-N 0 0 411.502 4.476 20 5 HIBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481477300 896862950 /nfs/dbraw/zinc/86/29/50/896862950.db2.gz HGUWQPRPCBALDC-UHFFFAOYSA-N 0 0 415.446 4.316 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000481536634 896896631 /nfs/dbraw/zinc/89/66/31/896896631.db2.gz DYJMKXIFCQUJDD-UHFFFAOYSA-N 0 0 403.851 4.431 20 5 HIBDRN COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1OC ZINC000481546277 896910116 /nfs/dbraw/zinc/91/01/16/896910116.db2.gz SBJCXYMCCFXBTH-UHFFFAOYSA-N 0 0 421.453 4.154 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CCO[C@@H](c4ccc(F)cc4Cl)C3)n2)c1 ZINC000481580199 896959390 /nfs/dbraw/zinc/95/93/90/896959390.db2.gz JNXVWNYLFINXCZ-QGZVFWFLSA-N 0 0 418.812 4.011 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cccc1[N+](=O)[O-] ZINC000481597309 896977039 /nfs/dbraw/zinc/97/70/39/896977039.db2.gz LWWJNTJISITTIB-OAHLLOKOSA-N 0 0 423.256 4.137 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000481600196 896979990 /nfs/dbraw/zinc/97/99/90/896979990.db2.gz REEYDZYAEJGTJK-YJYMSZOUSA-N 0 0 421.856 4.096 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CSc2nnc([C@@H]3COc4ccccc4O3)o2)c(F)c1 ZINC000505449465 914117358 /nfs/dbraw/zinc/11/73/58/914117358.db2.gz PDWDYDOTUJWZPM-HNNXBMFYSA-N 0 0 407.354 4.061 20 5 HIBDRN CCOCCOc1ccc(Cl)cc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000481620236 897002663 /nfs/dbraw/zinc/00/26/63/897002663.db2.gz FKKOYPPVCZQTTF-UHFFFAOYSA-N 0 0 407.854 4.028 20 5 HIBDRN CN(C)c1nc2cc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)ccc2o1 ZINC000481619870 897002956 /nfs/dbraw/zinc/00/29/56/897002956.db2.gz AMFFYHDIDUPTCJ-UHFFFAOYSA-N 0 0 409.427 4.178 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000481683109 897065833 /nfs/dbraw/zinc/06/58/33/897065833.db2.gz IBSRZWMBWHSFSL-SPLOXXLWSA-N 0 0 415.877 4.097 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481683108 897066524 /nfs/dbraw/zinc/06/65/24/897066524.db2.gz IBSRZWMBWHSFSL-QKKBWIMNSA-N 0 0 415.877 4.097 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(Br)cc1C(F)(F)F ZINC000481712878 897104152 /nfs/dbraw/zinc/10/41/52/897104152.db2.gz MJUYDSFIPCTNSM-UHFFFAOYSA-N 0 0 417.181 4.235 20 5 HIBDRN CN(Cc1ccc(Br)cc1Cl)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000481722901 897118085 /nfs/dbraw/zinc/11/80/85/897118085.db2.gz ZXZBIKWJHAAQHB-UHFFFAOYSA-N 0 0 413.655 4.048 20 5 HIBDRN Cc1csc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)n1 ZINC000481776081 897160428 /nfs/dbraw/zinc/16/04/28/897160428.db2.gz LVDSIIMRZWKUQF-UHFFFAOYSA-N 0 0 420.560 4.070 20 5 HIBDRN CCOc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nnc2-c2ccccn2)cc1 ZINC000481841367 897206926 /nfs/dbraw/zinc/20/69/26/897206926.db2.gz KOLYCTKGKRDSRP-UHFFFAOYSA-N 0 0 420.454 4.182 20 5 HIBDRN O=C(NCc1ccc(C2CC2)cc1)c1ccc([N+](=O)[O-])cc1I ZINC000481887578 897261921 /nfs/dbraw/zinc/26/19/21/897261921.db2.gz CUPJSYJQXPBIAK-UHFFFAOYSA-N 0 0 422.222 4.007 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)n1 ZINC000481971062 897363559 /nfs/dbraw/zinc/36/35/59/897363559.db2.gz RYFXLXOACAVHLO-LLVKDONJSA-N 0 0 401.776 4.056 20 5 HIBDRN Cc1csc2nc(COc3ccc(Cc4ccccc4)cc3[N+](=O)[O-])cc(=O)n12 ZINC000481977816 897370954 /nfs/dbraw/zinc/37/09/54/897370954.db2.gz AOOKDTWNMAWENN-UHFFFAOYSA-N 0 0 407.451 4.142 20 5 HIBDRN CCCC(=O)Nc1cccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000481979617 897372729 /nfs/dbraw/zinc/37/27/29/897372729.db2.gz HQBOILBOYJQRIA-UHFFFAOYSA-N 0 0 405.476 4.059 20 5 HIBDRN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000481998263 897396044 /nfs/dbraw/zinc/39/60/44/897396044.db2.gz COZQXLFNNANDFJ-WMLDXEAASA-N 0 0 402.416 4.344 20 5 HIBDRN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000505479449 914161384 /nfs/dbraw/zinc/16/13/84/914161384.db2.gz HDWYOHNPPSECCZ-ZDUSSCGKSA-N 0 0 415.396 4.138 20 5 HIBDRN CCOCCC1(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000505485090 914167905 /nfs/dbraw/zinc/16/79/05/914167905.db2.gz XQMDMACWAWRDGW-IRXDYDNUSA-N 0 0 403.523 4.014 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cc2c(s1)CCOC2 ZINC000482091716 897535594 /nfs/dbraw/zinc/53/55/94/897535594.db2.gz FJYITDYDMPCIBC-UHFFFAOYSA-N 0 0 408.435 4.212 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cc4c(s3)CCOC4)n2)cc1[N+](=O)[O-] ZINC000482104369 897554126 /nfs/dbraw/zinc/55/41/26/897554126.db2.gz MFWRXXKUKCEYNE-UHFFFAOYSA-N 0 0 401.469 4.413 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000482120820 897574186 /nfs/dbraw/zinc/57/41/86/897574186.db2.gz BFPHQEYLWQWCOJ-ZHRRBRCNSA-N 0 0 416.543 4.457 20 5 HIBDRN O=C(Nc1nc(-c2ccccc2F)co1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000482122964 897577954 /nfs/dbraw/zinc/57/79/54/897577954.db2.gz RSDXZLIBFNBPMY-UHFFFAOYSA-N 0 0 406.167 4.404 20 5 HIBDRN Cn1cc(C(=O)Nc2nc(-c3ccccc3F)co2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482124731 897581122 /nfs/dbraw/zinc/58/11/22/897581122.db2.gz ZNBJEEFGVBOXKV-UHFFFAOYSA-N 0 0 407.361 4.042 20 5 HIBDRN C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000482128816 897586077 /nfs/dbraw/zinc/58/60/77/897586077.db2.gz AWMJUQSFDHPKNC-NSHDSACASA-N 0 0 424.404 4.416 20 5 HIBDRN O=C(Nc1nc(-c2ccccc2F)co1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000482137998 897597485 /nfs/dbraw/zinc/59/74/85/897597485.db2.gz BRFVNAAQGHULLH-UHFFFAOYSA-N 0 0 406.167 4.404 20 5 HIBDRN O=C(Nc1cnccc1-c1cccc(F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000482152480 897613974 /nfs/dbraw/zinc/61/39/74/897613974.db2.gz LGVFZXHYRAMPJF-UHFFFAOYSA-N 0 0 403.373 4.234 20 5 HIBDRN O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000482320824 897819702 /nfs/dbraw/zinc/81/97/02/897819702.db2.gz XHXXIMXVNUFGOG-UHFFFAOYSA-N 0 0 410.405 4.493 20 5 HIBDRN Cc1sc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1[N+](=O)[O-] ZINC000482354889 897869342 /nfs/dbraw/zinc/86/93/42/897869342.db2.gz ZHFWIGBDPWYCBA-QVKFZJNVSA-N 0 0 424.482 4.209 20 5 HIBDRN O=C(NCCc1c[nH]c2ncccc12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000505517915 914208423 /nfs/dbraw/zinc/20/84/23/914208423.db2.gz XORGXKQJQMPXEI-UHFFFAOYSA-N 0 0 415.453 4.056 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000505519013 914210112 /nfs/dbraw/zinc/21/01/12/914210112.db2.gz HZNZYLFRVDAGON-AWEZNQCLSA-N 0 0 406.529 4.240 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCO[C@@H](C(C)C)C3)cc2[N+](=O)[O-])n1 ZINC000482442656 898003525 /nfs/dbraw/zinc/00/35/25/898003525.db2.gz CFZNAHPIDRIAIZ-OAHLLOKOSA-N 0 0 407.517 4.008 20 5 HIBDRN COCCC1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000482465451 898039816 /nfs/dbraw/zinc/03/98/16/898039816.db2.gz AJOSEKRFYLXQDO-UHFFFAOYSA-N 0 0 400.928 4.444 20 5 HIBDRN O=C(NC1(Cc2cccc(F)c2)CCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000482470415 898044374 /nfs/dbraw/zinc/04/43/74/898044374.db2.gz MNVPQYQFHGSMSA-UHFFFAOYSA-N 0 0 411.477 4.232 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4)cc2[N+](=O)[O-])C1 ZINC000482471069 898045991 /nfs/dbraw/zinc/04/59/91/898045991.db2.gz AGLLDMYNRTWWGI-HUUCEWRRSA-N 0 0 422.485 4.214 20 5 HIBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000482471316 898046261 /nfs/dbraw/zinc/04/62/61/898046261.db2.gz STFOBAVCXMJPGQ-IBGZPJMESA-N 0 0 406.360 4.275 20 5 HIBDRN CCc1nnc(-c2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)o1 ZINC000482472816 898047450 /nfs/dbraw/zinc/04/74/50/898047450.db2.gz BGJITOUMFPRIDS-UHFFFAOYSA-N 0 0 421.457 4.062 20 5 HIBDRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000505523854 914215066 /nfs/dbraw/zinc/21/50/66/914215066.db2.gz MQBKLYISUKVULP-UHFFFAOYSA-N 0 0 402.410 4.328 20 5 HIBDRN Cn1c(C(=O)Nc2ccc(-c3cccc(Br)c3)cn2)ccc1[N+](=O)[O-] ZINC000482512865 898098984 /nfs/dbraw/zinc/09/89/84/898098984.db2.gz SAKJVMGRCSMEOY-UHFFFAOYSA-N 0 0 401.220 4.010 20 5 HIBDRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000505528352 914221392 /nfs/dbraw/zinc/22/13/92/914221392.db2.gz ABIQXZGSRGWRJH-UHFFFAOYSA-N 0 0 402.410 4.328 20 5 HIBDRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000505530200 914224055 /nfs/dbraw/zinc/22/40/55/914224055.db2.gz NSJNUVDBQSXVIG-UHFFFAOYSA-N 0 0 403.398 4.102 20 5 HIBDRN O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccc(N5CCCC5)cc4)no3)cn2)cc1 ZINC000482559728 898151233 /nfs/dbraw/zinc/15/12/33/898151233.db2.gz NCESYOZTLFATIH-UHFFFAOYSA-N 0 0 402.414 4.098 20 5 HIBDRN COC(C)(C)c1noc(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000482570199 898165559 /nfs/dbraw/zinc/16/55/59/898165559.db2.gz UISBWJZLERKMNO-UHFFFAOYSA-N 0 0 419.441 4.303 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000482610977 898211866 /nfs/dbraw/zinc/21/18/66/898211866.db2.gz OEXLTZSJXDRHNJ-CQSZACIVSA-N 0 0 408.458 4.167 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCc3c(ncn3-c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000482674713 898277753 /nfs/dbraw/zinc/27/77/53/898277753.db2.gz PGNSGZUUZFRWRT-UHFFFAOYSA-N 0 0 404.470 4.277 20 5 HIBDRN CCc1c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC000482707449 898307431 /nfs/dbraw/zinc/30/74/31/898307431.db2.gz OXKXHLOTSKVXPF-UHFFFAOYSA-N 0 0 405.458 4.478 20 5 HIBDRN CCc1c(NC(=O)COc2ccccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000482708130 898308811 /nfs/dbraw/zinc/30/88/11/898308811.db2.gz NNWPTBKCVAXIPZ-UHFFFAOYSA-N 0 0 400.822 4.014 20 5 HIBDRN CCc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cnn1-c1ccccc1C ZINC000482739464 898342455 /nfs/dbraw/zinc/34/24/55/898342455.db2.gz FGAJHGQXMBALNZ-UHFFFAOYSA-N 0 0 416.441 4.089 20 5 HIBDRN CCc1c(NC(=O)CCNc2ccccc2[N+](=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000482742319 898345744 /nfs/dbraw/zinc/34/57/44/898345744.db2.gz 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O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])s1 ZINC000484618081 900073321 /nfs/dbraw/zinc/07/33/21/900073321.db2.gz VIKKIIKNXBWMGX-INIZCTEOSA-N 0 0 413.524 4.247 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCOc2cc(Cl)c(Cl)cc21 ZINC000484622814 900076069 /nfs/dbraw/zinc/07/60/69/900076069.db2.gz CNKBSPDNANSDGB-UHFFFAOYSA-N 0 0 419.224 4.127 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)C(=O)c2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000484667542 900109932 /nfs/dbraw/zinc/10/99/32/900109932.db2.gz XROUILBSZMXOBT-UHFFFAOYSA-N 0 0 405.454 4.192 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(-c4cc5ccccc5o4)o3)cc2N1 ZINC000484670300 900112081 /nfs/dbraw/zinc/11/20/81/900112081.db2.gz ISBMUCLNPRCSAR-UHFFFAOYSA-N 0 0 408.395 4.427 20 5 HIBDRN CCOc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1Br ZINC000484776214 900187743 /nfs/dbraw/zinc/18/77/43/900187743.db2.gz MBXVOWLDHUQTHP-UHFFFAOYSA-N 0 0 408.252 4.386 20 5 HIBDRN Cc1c(CNC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000484785562 900193096 /nfs/dbraw/zinc/19/30/96/900193096.db2.gz SQUMXTMDRLXUNR-OAHLLOKOSA-N 0 0 403.307 4.284 20 5 HIBDRN O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000484791052 900197678 /nfs/dbraw/zinc/19/76/78/900197678.db2.gz MOBKTVGKVVBBPO-HXUWFJFHSA-N 0 0 407.495 4.186 20 5 HIBDRN CC1(C)CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@@](C)(C(F)(F)F)O1 ZINC000505742848 914420266 /nfs/dbraw/zinc/42/02/66/914420266.db2.gz XNSBZZZJLVHDIL-NRFANRHFSA-N 0 0 418.415 4.253 20 5 HIBDRN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Oc1ccccc1Br ZINC000484824914 900228376 /nfs/dbraw/zinc/22/83/76/900228376.db2.gz WUZJASQTBQWVQR-NSHDSACASA-N 0 0 420.263 4.121 20 5 HIBDRN Cc1ccc(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000484856904 900249912 /nfs/dbraw/zinc/24/99/12/900249912.db2.gz JXXJPAWKUIAROX-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN O=C(CN[C@H](c1ccc(F)cc1)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000484856863 900250092 /nfs/dbraw/zinc/25/00/92/900250092.db2.gz JVMSCZREJZPGEC-OAHLLOKOSA-N 0 0 405.735 4.219 20 5 HIBDRN CCc1cc(C)cc(CC)c1NC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] ZINC000484861216 900251629 /nfs/dbraw/zinc/25/16/29/900251629.db2.gz JVBWEHGAMGOXIK-UHFFFAOYSA-N 0 0 416.474 4.314 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1OC ZINC000484861611 900252306 /nfs/dbraw/zinc/25/23/06/900252306.db2.gz SZPUTVDFHLGWBX-OAHLLOKOSA-N 0 0 418.421 4.173 20 5 HIBDRN COc1ccccc1N(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(C)C ZINC000484913776 900291321 /nfs/dbraw/zinc/29/13/21/900291321.db2.gz WUDCCKQGJNFGMH-UHFFFAOYSA-N 0 0 410.373 4.269 20 5 HIBDRN COCCN(Cc1sccc1Br)Cc1cc([N+](=O)[O-])ccc1OC ZINC000484923881 900296960 /nfs/dbraw/zinc/29/69/60/900296960.db2.gz FGEKDMMGSHTQQY-UHFFFAOYSA-N 0 0 415.309 4.076 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000484957738 900321817 /nfs/dbraw/zinc/32/18/17/900321817.db2.gz GOFSRLNNBDGEJF-UHFFFAOYSA-N 0 0 401.444 4.040 20 5 HIBDRN NC(=O)c1ccc(CNC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000484989758 900344044 /nfs/dbraw/zinc/34/40/44/900344044.db2.gz WEERZIRAEQXINQ-UHFFFAOYSA-N 0 0 413.783 4.145 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC ZINC000485227033 900513129 /nfs/dbraw/zinc/51/31/29/900513129.db2.gz ZADLJDPHTKLOSB-HNNXBMFYSA-N 0 0 413.474 4.437 20 5 HIBDRN C[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)N1CCc2ccccc2C1 ZINC000485272204 900553028 /nfs/dbraw/zinc/55/30/28/900553028.db2.gz IGLPTQOPUZFTIG-LBPRGKRZSA-N 0 0 421.316 4.423 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C(=O)C(CC)CC)CC1 ZINC000505787963 914453831 /nfs/dbraw/zinc/45/38/31/914453831.db2.gz SDQBPZZIQOUYTD-UHFFFAOYSA-N 0 0 421.563 4.254 20 5 HIBDRN COc1ccc(-c2nc(CS(=O)(=O)[C@@H](C)c3cc([N+](=O)[O-])ccc3C)co2)cc1 ZINC000485283567 900560677 /nfs/dbraw/zinc/56/06/77/900560677.db2.gz GYCMOPPBLOOCON-AWEZNQCLSA-N 0 0 416.455 4.243 20 5 HIBDRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000485285378 900563345 /nfs/dbraw/zinc/56/33/45/900563345.db2.gz LKWFVHBSUGRHKV-SWLSCSKDSA-N 0 0 416.259 4.144 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1ccc(Oc2ccccc2)nn1 ZINC000485307486 900586275 /nfs/dbraw/zinc/58/62/75/900586275.db2.gz YETXQFUPAWMIMN-OAHLLOKOSA-N 0 0 413.455 4.162 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000485370637 900667640 /nfs/dbraw/zinc/66/76/40/900667640.db2.gz FRXFYAVEOOWTBX-UHFFFAOYSA-N 0 0 421.276 4.443 20 5 HIBDRN C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)cn2)CCO1 ZINC000485398548 900696123 /nfs/dbraw/zinc/69/61/23/900696123.db2.gz LCPULYJBHGGQPF-HNNXBMFYSA-N 0 0 423.448 4.028 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1OC)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485400840 900698959 /nfs/dbraw/zinc/69/89/59/900698959.db2.gz SKHFQLZYPXXUKB-UHFFFAOYSA-N 0 0 424.432 4.270 20 5 HIBDRN CNC(=O)c1ccc(N2CCC[C@@H]2c2ccc(Br)c(C)c2)c([N+](=O)[O-])c1 ZINC000485406255 900705648 /nfs/dbraw/zinc/70/56/48/900705648.db2.gz LIBXOHFMCZFDDE-MRXNPFEDSA-N 0 0 418.291 4.367 20 5 HIBDRN Cc1ccnc(-c2n[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)n2)c1 ZINC000485410660 900708134 /nfs/dbraw/zinc/70/81/34/900708134.db2.gz RBRLLYIIFNBIGK-ZDUSSCGKSA-N 0 0 419.420 4.458 20 5 HIBDRN Cc1cc(N2CCC(Nc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)nc(C)n1 ZINC000485417828 900715413 /nfs/dbraw/zinc/71/54/13/900715413.db2.gz NWWKMJTZZSNABC-UHFFFAOYSA-N 0 0 422.464 4.284 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(c3nnc4n3CCCC4)CC2)nc1-c1ccc(F)cc1 ZINC000485417651 900715883 /nfs/dbraw/zinc/71/58/83/900715883.db2.gz RPEIOOBSNIJMRJ-UHFFFAOYSA-N 0 0 422.464 4.108 20 5 HIBDRN CN(C(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1)c1ccccc1 ZINC000485423087 900721676 /nfs/dbraw/zinc/72/16/76/900721676.db2.gz VUPLDMILCAHNOB-QGZVFWFLSA-N 0 0 420.444 4.285 20 5 HIBDRN CCNc1ccc(C(=O)N(C)CCc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000485445491 900742209 /nfs/dbraw/zinc/74/22/09/900742209.db2.gz QOIODMQXRGPBII-UHFFFAOYSA-N 0 0 406.280 4.104 20 5 HIBDRN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485450995 900745788 /nfs/dbraw/zinc/74/57/88/900745788.db2.gz KWCHNISLVUKKEK-HOCLYGCPSA-N 0 0 412.776 4.110 20 5 HIBDRN COc1cc(OC)cc(-c2cccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])n2)c1 ZINC000485452096 900747200 /nfs/dbraw/zinc/74/72/00/900747200.db2.gz BTIAVFGUAXGCNI-UHFFFAOYSA-N 0 0 423.425 4.082 20 5 HIBDRN C[S@](=O)Cc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000485465246 900758491 /nfs/dbraw/zinc/75/84/91/900758491.db2.gz LGAWPXSAAJZEDN-PMERELPUSA-N 0 0 424.478 4.305 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC000485477507 900771334 /nfs/dbraw/zinc/77/13/34/900771334.db2.gz RCPNVDKWFDYSAL-UHFFFAOYSA-N 0 0 424.478 4.271 20 5 HIBDRN O=c1oc2cc(Br)c(F)cc2n1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000485481527 900773843 /nfs/dbraw/zinc/77/38/43/900773843.db2.gz UPJXRCREXHMXKA-UHFFFAOYSA-N 0 0 401.575 4.106 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000485496396 900785386 /nfs/dbraw/zinc/78/53/86/900785386.db2.gz VGUOYRJVFMACHW-MSOLQXFVSA-N 0 0 400.500 4.430 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])OC(C)C ZINC000485497742 900786637 /nfs/dbraw/zinc/78/66/37/900786637.db2.gz UYAWOKZXRDEDTM-QGZVFWFLSA-N 0 0 404.488 4.221 20 5 HIBDRN CSc1cccc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1[N+](=O)[O-] ZINC000485501807 900790766 /nfs/dbraw/zinc/79/07/66/900790766.db2.gz DBEQXDPPGLYADV-NSHDSACASA-N 0 0 414.409 4.009 20 5 HIBDRN Cc1noc(C)c1C[C@@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485508231 900795021 /nfs/dbraw/zinc/79/50/21/900795021.db2.gz VLFGBWHVOJGWJS-CQSZACIVSA-N 0 0 409.442 4.140 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)c1[N+](=O)[O-] ZINC000485511419 900797243 /nfs/dbraw/zinc/79/72/43/900797243.db2.gz BADHBEGFTUJRQM-AWEZNQCLSA-N 0 0 410.499 4.172 20 5 HIBDRN CSc1cccc(C(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)c1[N+](=O)[O-] ZINC000485511399 900797695 /nfs/dbraw/zinc/79/76/95/900797695.db2.gz AKVIWXASJCWSKI-UHFFFAOYSA-N 0 0 412.467 4.017 20 5 HIBDRN CSc1cccc(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000485514258 900799104 /nfs/dbraw/zinc/79/91/04/900799104.db2.gz ITGGEZTXQFURDJ-OAHLLOKOSA-N 0 0 424.425 4.132 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(COC(C)(C)C)on1 ZINC000485532009 900811023 /nfs/dbraw/zinc/81/10/23/900811023.db2.gz MNGYBFAQNGGWCZ-UHFFFAOYSA-N 0 0 407.492 4.330 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H](c2ccccc2)c2cccnc2)cc1[N+](=O)[O-] ZINC000485598990 900859471 /nfs/dbraw/zinc/85/94/71/900859471.db2.gz IGMDOMQUUAAAAW-JOCHJYFZSA-N 0 0 423.494 4.137 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000505832180 914485197 /nfs/dbraw/zinc/48/51/97/914485197.db2.gz KVAHZOUJXDOOQM-KRWDZBQOSA-N 0 0 402.422 4.066 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000485653569 900906469 /nfs/dbraw/zinc/90/64/69/900906469.db2.gz GJLQYWCQXZXURK-SFHVURJKSA-N 0 0 406.385 4.394 20 5 HIBDRN Cc1cc(Br)cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000485684514 900935206 /nfs/dbraw/zinc/93/52/06/900935206.db2.gz MSDNFIDAEBINES-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485688798 900940472 /nfs/dbraw/zinc/94/04/72/900940472.db2.gz ZDINVRMPUYNOQH-VIFPVBQESA-N 0 0 406.261 4.458 20 5 HIBDRN O=C(Nc1ccc(-c2csnn2)cc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000485727459 900978826 /nfs/dbraw/zinc/97/88/26/900978826.db2.gz BCVSSVALIFDISY-UHFFFAOYSA-N 0 0 403.423 4.428 20 5 HIBDRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485739449 900993861 /nfs/dbraw/zinc/99/38/61/900993861.db2.gz AOPUEZJUTGILKU-PGRDOPGGSA-N 0 0 412.486 4.355 20 5 HIBDRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485739450 900993909 /nfs/dbraw/zinc/99/39/09/900993909.db2.gz AOPUEZJUTGILKU-XMSQKQJNSA-N 0 0 412.486 4.355 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000485742100 900996760 /nfs/dbraw/zinc/99/67/60/900996760.db2.gz HLIKHWHAASFVEI-HUUCEWRRSA-N 0 0 415.515 4.178 20 5 HIBDRN CSc1cccc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)c1[N+](=O)[O-] ZINC000485744165 900998253 /nfs/dbraw/zinc/99/82/53/900998253.db2.gz UUFMUYFPUOJASZ-UHFFFAOYSA-N 0 0 408.439 4.216 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1[N+](=O)[O-] ZINC000485752887 901008121 /nfs/dbraw/zinc/00/81/21/901008121.db2.gz JAALDSHVGCJDCT-UHFFFAOYSA-N 0 0 405.439 4.279 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000485758356 901016595 /nfs/dbraw/zinc/01/65/95/901016595.db2.gz LDOGHDFNSNVWSW-MRXNPFEDSA-N 0 0 402.472 4.130 20 5 HIBDRN CCCOc1ncccc1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485771642 901029466 /nfs/dbraw/zinc/02/94/66/901029466.db2.gz QRPBMNPSQJANIT-UHFFFAOYSA-N 0 0 421.453 4.288 20 5 HIBDRN Cc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2N2CCCC2)cc1 ZINC000505853979 914501117 /nfs/dbraw/zinc/50/11/17/914501117.db2.gz YBRXFLUFFUXDQW-UHFFFAOYSA-N 0 0 423.498 4.059 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N(c3ccccc3)[C@@H]3CCOC3)cc2[N+](=O)[O-])C1 ZINC000485806422 901056582 /nfs/dbraw/zinc/05/65/82/901056582.db2.gz PJPPYRZMFWWJST-YLJYHZDGSA-N 0 0 409.486 4.267 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000485846240 901090807 /nfs/dbraw/zinc/09/08/07/901090807.db2.gz MQDVHHBUBXHMGV-LLVKDONJSA-N 0 0 421.240 4.493 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000485904547 901134212 /nfs/dbraw/zinc/13/42/12/901134212.db2.gz GEMLMORRZFXPBC-UHFFFAOYSA-N 0 0 403.276 4.470 20 5 HIBDRN C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000485926411 901152766 /nfs/dbraw/zinc/15/27/66/901152766.db2.gz QGIFNLYCZOOUBL-JTQLQIEISA-N 0 0 421.276 4.096 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(-c3ccsc3)nc2C)c(C)c([N+](=O)[O-])c1 ZINC000485941460 901162682 /nfs/dbraw/zinc/16/26/82/901162682.db2.gz PZGCSCOVUNFHAN-UHFFFAOYSA-N 0 0 411.439 4.374 20 5 HIBDRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC)cc1 ZINC000485965457 901182808 /nfs/dbraw/zinc/18/28/08/901182808.db2.gz ICWYZTTXFKLNGY-UHFFFAOYSA-N 0 0 423.516 4.111 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC(c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000485967409 901184159 /nfs/dbraw/zinc/18/41/59/901184159.db2.gz PRFWZMGHWCGTBX-UHFFFAOYSA-N 0 0 400.909 4.186 20 5 HIBDRN CCS[C@@H](C)c1noc(CN(C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000485979774 901198966 /nfs/dbraw/zinc/19/89/66/901198966.db2.gz PCLARGBCTPXUHG-RYUDHWBXSA-N 0 0 418.479 4.035 20 5 HIBDRN COC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 ZINC000485988080 901207138 /nfs/dbraw/zinc/20/71/38/901207138.db2.gz JEFVGXMLSRCWCP-UHFFFAOYSA-N 0 0 418.471 4.147 20 5 HIBDRN O=[N+]([O-])c1cc(CNc2nn3cc(-c4cccnc4)nc3s2)cc(C(F)(F)F)c1 ZINC000486009394 901221095 /nfs/dbraw/zinc/22/10/95/901221095.db2.gz XKCNUFDYIDUGSV-UHFFFAOYSA-N 0 0 420.376 4.392 20 5 HIBDRN CC1CCN(C(=O)c2ccc(NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)nc2)CC1 ZINC000486010692 901221449 /nfs/dbraw/zinc/22/14/49/901221449.db2.gz WWIUTFOWPPUFDM-UHFFFAOYSA-N 0 0 422.407 4.493 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000486103561 901290223 /nfs/dbraw/zinc/29/02/23/901290223.db2.gz RDTVDZXLWMAYRC-SNVBAGLBSA-N 0 0 411.277 4.485 20 5 HIBDRN Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486113331 901299112 /nfs/dbraw/zinc/29/91/12/901299112.db2.gz YDJSNZANMWUKCQ-AWEZNQCLSA-N 0 0 409.442 4.312 20 5 HIBDRN Cc1cc(NC(=O)c2c(F)ccc(Br)c2F)c2cc([N+](=O)[O-])ccc2n1 ZINC000486116091 901302194 /nfs/dbraw/zinc/30/21/94/901302194.db2.gz BXDLBVJBCPRHMQ-UHFFFAOYSA-N 0 0 422.185 4.166 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2C(=O)CNc2cc([N+](=O)[O-])ccc2OCC)cc1 ZINC000486121680 901307895 /nfs/dbraw/zinc/30/78/95/901307895.db2.gz JNBHYDCEUBLDAW-HXUWFJFHSA-N 0 0 413.474 4.168 20 5 HIBDRN COCc1cc([N+](=O)[O-])ccc1NCCCc1nnc(SC)n1C1CCCC1 ZINC000486129034 901316767 /nfs/dbraw/zinc/31/67/67/901316767.db2.gz OGKICFRIAFJEOV-UHFFFAOYSA-N 0 0 405.524 4.214 20 5 HIBDRN Cc1cc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CCO2)ccc1F ZINC000486130358 901317491 /nfs/dbraw/zinc/31/74/91/901317491.db2.gz ANVBPOPVODDYIF-QGZVFWFLSA-N 0 0 412.339 4.275 20 5 HIBDRN CCCCO[C@@H]1C[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])C1(C)C ZINC000486161875 901349243 /nfs/dbraw/zinc/34/92/43/901349243.db2.gz FFFYNQIXHGTDAA-WDEREUQCSA-N 0 0 405.314 4.132 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N(CC(F)(F)F)C1CCCC1 ZINC000486167880 901354970 /nfs/dbraw/zinc/35/49/70/901354970.db2.gz SYLKWCSPZFBFMQ-UHFFFAOYSA-N 0 0 401.204 4.366 20 5 HIBDRN COc1cc(-c2noc(CSCc3ccc([N+](=O)[O-])c(OC)c3)n2)ccc1C ZINC000486169443 901356131 /nfs/dbraw/zinc/35/61/31/901356131.db2.gz ISOVFADOEMKIJR-UHFFFAOYSA-N 0 0 401.444 4.404 20 5 HIBDRN C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000486179713 901365336 /nfs/dbraw/zinc/36/53/36/901365336.db2.gz XTRIDMOIKFLKSC-FZNYLWTLSA-N 0 0 411.277 4.102 20 5 HIBDRN Cc1ccc(NC(=O)C2(CNC(=O)c3c(C)cccc3[N+](=O)[O-])CCCC2)cc1C ZINC000486198227 901383672 /nfs/dbraw/zinc/38/36/72/901383672.db2.gz YURWFYPMTSANHT-UHFFFAOYSA-N 0 0 409.486 4.449 20 5 HIBDRN CCN(Cc1c(F)cccc1F)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000505888081 914530514 /nfs/dbraw/zinc/53/05/14/914530514.db2.gz KZSBKSIHVMIJBW-UHFFFAOYSA-N 0 0 406.432 4.482 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000486224760 901408739 /nfs/dbraw/zinc/40/87/39/901408739.db2.gz TYNJHLTWLYUPJX-QWRGUYRKSA-N 0 0 413.400 4.092 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000486232336 901414640 /nfs/dbraw/zinc/41/46/40/901414640.db2.gz ONVXARMDHKLNMW-ZDUSSCGKSA-N 0 0 405.907 4.369 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccnc(OC3CCCCC3)c2)c1[N+](=O)[O-] ZINC000486237430 901419179 /nfs/dbraw/zinc/41/91/79/901419179.db2.gz XSNAHKORADEGLT-UHFFFAOYSA-N 0 0 401.488 4.353 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000486244651 901426839 /nfs/dbraw/zinc/42/68/39/901426839.db2.gz UOZJQVHVALURHD-CYBMUJFWSA-N 0 0 423.288 4.333 20 5 HIBDRN CSc1cccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c1[N+](=O)[O-] ZINC000486244302 901426859 /nfs/dbraw/zinc/42/68/59/901426859.db2.gz SRAFGLWDIUJICL-UHFFFAOYSA-N 0 0 420.918 4.448 20 5 HIBDRN COc1ccc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000486255097 901437586 /nfs/dbraw/zinc/43/75/86/901437586.db2.gz OZDYPRWSPWACKW-UHFFFAOYSA-N 0 0 400.378 4.274 20 5 HIBDRN COc1ccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000486296282 901478384 /nfs/dbraw/zinc/47/83/84/901478384.db2.gz SADFQHPLXIWVQC-UHFFFAOYSA-N 0 0 405.657 4.011 20 5 HIBDRN COC(=O)c1c(C)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Br ZINC000486326864 901503584 /nfs/dbraw/zinc/50/35/84/901503584.db2.gz OLYZPPLPSHQUPS-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN Cc1ccn(-c2ccccc2NC(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000486328354 901504466 /nfs/dbraw/zinc/50/44/66/901504466.db2.gz LDVMOHVOGTVQEY-UHFFFAOYSA-N 0 0 407.249 4.165 20 5 HIBDRN CSc1cccc(C(=O)N(CC(=O)OC(C)(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000486416419 901574907 /nfs/dbraw/zinc/57/49/07/901574907.db2.gz LQJQJSDFHBUSTC-UHFFFAOYSA-N 0 0 402.472 4.305 20 5 HIBDRN CSc1cccc(C(=O)NCCc2ccccc2OC(F)(F)F)c1[N+](=O)[O-] ZINC000486423539 901582618 /nfs/dbraw/zinc/58/26/18/901582618.db2.gz KHLXCWOTSQWQJM-UHFFFAOYSA-N 0 0 400.378 4.188 20 5 HIBDRN CCOC(=O)CN(C(=O)c1cccc(SC)c1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000486431451 901591716 /nfs/dbraw/zinc/59/17/16/901591716.db2.gz QQMHFEZHDIBWJC-CQSZACIVSA-N 0 0 402.472 4.083 20 5 HIBDRN CN(C(=O)c1ccoc1Br)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000486472321 901632381 /nfs/dbraw/zinc/63/23/81/901632381.db2.gz SSIOGMZTSBIBQA-UHFFFAOYSA-N 0 0 408.233 4.350 20 5 HIBDRN Cc1noc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1 ZINC000486663956 901782758 /nfs/dbraw/zinc/78/27/58/901782758.db2.gz JURFPCJKVPWCAH-NSHDSACASA-N 0 0 415.837 4.043 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000486712491 901807476 /nfs/dbraw/zinc/80/74/76/901807476.db2.gz UHGHNBPEEGUZLO-CHWSQXEVSA-N 0 0 400.303 4.312 20 5 HIBDRN CO[C@H](C)c1nc(C)c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000486717438 901810331 /nfs/dbraw/zinc/81/03/31/901810331.db2.gz OQDZXTZLBGHNBJ-SECBINFHSA-N 0 0 403.382 4.016 20 5 HIBDRN COc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(OC(C)C)c1 ZINC000486725853 901816595 /nfs/dbraw/zinc/81/65/95/901816595.db2.gz BXONRNMTNMBLPB-UHFFFAOYSA-N 0 0 412.364 4.339 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCCSCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000486726439 901816888 /nfs/dbraw/zinc/81/68/88/901816888.db2.gz DAUGTPPKILAGEU-UHFFFAOYSA-N 0 0 411.361 4.374 20 5 HIBDRN CSc1ccc(O[C@@H](C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000486729891 901817982 /nfs/dbraw/zinc/81/79/82/901817982.db2.gz CCJVYFWBQOODLW-NSHDSACASA-N 0 0 414.405 4.419 20 5 HIBDRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000486739498 901822967 /nfs/dbraw/zinc/82/29/67/901822967.db2.gz DPWDRXSDJMGQNX-CYBMUJFWSA-N 0 0 423.878 4.167 20 5 HIBDRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486754043 901830524 /nfs/dbraw/zinc/83/05/24/901830524.db2.gz YOWPMBDLSFMPJG-SNVBAGLBSA-N 0 0 402.756 4.351 20 5 HIBDRN CCOc1cc(C(=O)Nc2cnn(-c3ccccc3C)c2CC)c([N+](=O)[O-])cc1OC ZINC000486842079 901889943 /nfs/dbraw/zinc/88/99/43/901889943.db2.gz PWGRIBJMHQHZFG-UHFFFAOYSA-N 0 0 424.457 4.311 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000486845363 901892987 /nfs/dbraw/zinc/89/29/87/901892987.db2.gz MCTSVHWNFZLMBH-GOSISDBHSA-N 0 0 419.359 4.470 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c(C)c([N+](=O)[O-])c1 ZINC000486880480 901927056 /nfs/dbraw/zinc/92/70/56/901927056.db2.gz NHWKWELQVCYVSF-ZDUSSCGKSA-N 0 0 424.413 4.228 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486882256 901928625 /nfs/dbraw/zinc/92/86/25/901928625.db2.gz OEKNLEBLQDPMRR-PBHICJAKSA-N 0 0 411.458 4.408 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c(C)c([N+](=O)[O-])c1 ZINC000486899715 901942340 /nfs/dbraw/zinc/94/23/40/901942340.db2.gz YEGMXPQWGKQFAW-KRWDZBQOSA-N 0 0 415.421 4.068 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1OCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000486906538 901952147 /nfs/dbraw/zinc/95/21/47/901952147.db2.gz DRIFEYRMEMSJII-UHFFFAOYSA-N 0 0 412.146 4.265 20 5 HIBDRN O=c1c(Cl)c(N2CCC[C@H]2c2ccsc2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000486927122 901970085 /nfs/dbraw/zinc/97/00/85/901970085.db2.gz KMWJTRQUNCWOPI-HNNXBMFYSA-N 0 0 402.863 4.197 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487008795 902012716 /nfs/dbraw/zinc/01/27/16/902012716.db2.gz UONKIFZJIYDDFL-ZIAGYGMSSA-N 0 0 409.273 4.065 20 5 HIBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCC[C@@H](O)C1 ZINC000487009725 902013362 /nfs/dbraw/zinc/01/33/62/902013362.db2.gz IDUDYTHUDHCYOV-FXFXYLOPSA-N 0 0 423.494 4.119 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487016783 902016818 /nfs/dbraw/zinc/01/68/18/902016818.db2.gz ZXFDKSBHRKCFAK-HUUCEWRRSA-N 0 0 409.273 4.065 20 5 HIBDRN COC(=O)CCSc1ncccc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000487018855 902017535 /nfs/dbraw/zinc/01/75/35/902017535.db2.gz VSQDMXWHNKVZFX-UHFFFAOYSA-N 0 0 403.460 4.021 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCCOc2ccc(F)cc21 ZINC000487031874 902028935 /nfs/dbraw/zinc/02/89/35/902028935.db2.gz QCEFTKJVFKBJCC-INIZCTEOSA-N 0 0 407.829 4.143 20 5 HIBDRN CCN(CC(=O)OC)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000487032958 902030827 /nfs/dbraw/zinc/03/08/27/902030827.db2.gz WRSFAEVSPJOJPH-UHFFFAOYSA-N 0 0 408.863 4.035 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000487093520 902054886 /nfs/dbraw/zinc/05/48/86/902054886.db2.gz CAENWJDFHLKKET-UHFFFAOYSA-N 0 0 401.325 4.321 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccc(C)c(N4CCNC4=O)c3)o2)c([N+](=O)[O-])c1 ZINC000487172946 902085335 /nfs/dbraw/zinc/08/53/35/902085335.db2.gz UCWORLVCELKUCC-UHFFFAOYSA-N 0 0 422.441 4.314 20 5 HIBDRN O=[N+]([O-])c1cc(CNCc2cnn(Cc3ccc(F)cc3)c2)cc(C(F)(F)F)c1 ZINC000487199046 902097698 /nfs/dbraw/zinc/09/76/98/902097698.db2.gz LOBDSVUBTMYODX-UHFFFAOYSA-N 0 0 408.355 4.287 20 5 HIBDRN NC(=O)Nc1cccc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000487240008 902111189 /nfs/dbraw/zinc/11/11/89/902111189.db2.gz GEJBLFJYCYMMLW-UHFFFAOYSA-N 0 0 422.466 4.167 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)[C@H](C)Cc3ccccc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000487426888 902205709 /nfs/dbraw/zinc/20/57/09/902205709.db2.gz HZFDRPGFTSWYKM-QGZVFWFLSA-N 0 0 420.513 4.468 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000487528182 902235003 /nfs/dbraw/zinc/23/50/03/902235003.db2.gz JCYZYDWVGGIPDL-ZDUSSCGKSA-N 0 0 404.488 4.085 20 5 HIBDRN COc1ccc(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)cc1[N+](=O)[O-] ZINC000487531042 902236933 /nfs/dbraw/zinc/23/69/33/902236933.db2.gz CWMJEXJDLKDOOH-UHFFFAOYSA-N 0 0 421.438 4.165 20 5 HIBDRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000487628136 902259169 /nfs/dbraw/zinc/25/91/69/902259169.db2.gz BGUUGYJDDSFQSK-JOCHJYFZSA-N 0 0 404.470 4.386 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000487662596 902281543 /nfs/dbraw/zinc/28/15/43/902281543.db2.gz RTFILWJXRUEUMR-CQSZACIVSA-N 0 0 419.231 4.063 20 5 HIBDRN Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1Oc1ccncc1 ZINC000487694139 902297788 /nfs/dbraw/zinc/29/77/88/902297788.db2.gz VGDZSDKNXQXZPP-UHFFFAOYSA-N 0 0 407.382 4.114 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000487734236 902327196 /nfs/dbraw/zinc/32/71/96/902327196.db2.gz SUDUIIXWDOIEEF-OAHLLOKOSA-N 0 0 422.441 4.309 20 5 HIBDRN CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000487771276 902353431 /nfs/dbraw/zinc/35/34/31/902353431.db2.gz KLULNUKOAJLHNU-UHFFFAOYSA-N 0 0 411.227 4.038 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)Cc2ccncc2)cc1 ZINC000487889433 902430879 /nfs/dbraw/zinc/43/08/79/902430879.db2.gz SIJSBOCJMWXVKR-OAHLLOKOSA-N 0 0 407.426 4.152 20 5 HIBDRN O=c1c2ccccc2n(Cc2ccc(Br)c3cccnc23)cc1[N+](=O)[O-] ZINC000487902020 902438942 /nfs/dbraw/zinc/43/89/42/902438942.db2.gz XITWGVYIKBRFAB-UHFFFAOYSA-N 0 0 410.227 4.269 20 5 HIBDRN COc1ccc(-c2nc(Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)cs2)c(OC)c1 ZINC000487916789 902449440 /nfs/dbraw/zinc/44/94/40/902449440.db2.gz MOPHSOORMMVZHQ-UHFFFAOYSA-N 0 0 423.450 4.099 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)cc1[N+](=O)[O-] ZINC000487981024 902502307 /nfs/dbraw/zinc/50/23/07/902502307.db2.gz MSAAWTYBNRJKFM-LLVKDONJSA-N 0 0 407.257 4.278 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Br)cc1[N+](=O)[O-] ZINC000487983189 902505755 /nfs/dbraw/zinc/50/57/55/902505755.db2.gz UJJOYRZZUDLRKQ-OLZOCXBDSA-N 0 0 407.264 4.310 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1Br ZINC000487999028 902521107 /nfs/dbraw/zinc/52/11/07/902521107.db2.gz JVQKQCNAFJRIMJ-NSHDSACASA-N 0 0 423.263 4.174 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488053123 902567577 /nfs/dbraw/zinc/56/75/77/902567577.db2.gz SRMDVDQNKMYJKG-AWEZNQCLSA-N 0 0 424.423 4.160 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000488062649 902577411 /nfs/dbraw/zinc/57/74/11/902577411.db2.gz HKZIBUSZEFBUKD-UHFFFAOYSA-N 0 0 421.457 4.098 20 5 HIBDRN Cc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1F ZINC000488074752 902583755 /nfs/dbraw/zinc/58/37/55/902583755.db2.gz ZJMIRZLOQOHWQD-AWEZNQCLSA-N 0 0 412.421 4.211 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)cc1[N+](=O)[O-] ZINC000488075203 902584195 /nfs/dbraw/zinc/58/41/95/902584195.db2.gz CHMZFFRVQWKION-LLVKDONJSA-N 0 0 415.343 4.068 20 5 HIBDRN COc1ccc(CNC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000488085924 902590934 /nfs/dbraw/zinc/59/09/34/902590934.db2.gz DJRAJJWUNLWKQZ-INIZCTEOSA-N 0 0 421.906 4.333 20 5 HIBDRN CC(C)OC(=O)[C@H](C)N(C)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488090914 902595078 /nfs/dbraw/zinc/59/50/78/902595078.db2.gz BMOODMUMRQYIRD-AWEZNQCLSA-N 0 0 402.472 4.158 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)cc1 ZINC000488091893 902596608 /nfs/dbraw/zinc/59/66/08/902596608.db2.gz QOXPOWFXFQYYKZ-QGZVFWFLSA-N 0 0 419.485 4.490 20 5 HIBDRN Cc1cccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1I ZINC000488100267 902604205 /nfs/dbraw/zinc/60/42/05/902604205.db2.gz YRTDCWUZNLKLLA-LBPRGKRZSA-N 0 0 424.238 4.307 20 5 HIBDRN CN(C(=O)c1ccc(NCc2c(Cl)cccc2[N+](=O)[O-])cc1)C1CCOCC1 ZINC000488208748 902691368 /nfs/dbraw/zinc/69/13/68/902691368.db2.gz DXDQBFLXKIKYEV-UHFFFAOYSA-N 0 0 403.866 4.111 20 5 HIBDRN CN(C[C@H]1CCCOC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000488236316 902712744 /nfs/dbraw/zinc/71/27/44/902712744.db2.gz JKWKAIYHMRFSMG-OAHLLOKOSA-N 0 0 417.893 4.359 20 5 HIBDRN Cc1ccc(OC(F)F)c(CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)c1 ZINC000488251150 902725966 /nfs/dbraw/zinc/72/59/66/902725966.db2.gz HTXNDYIZFMYVKQ-UHFFFAOYSA-N 0 0 407.398 4.044 20 5 HIBDRN Cn1nc(-c2ccsc2)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000488297137 902759296 /nfs/dbraw/zinc/75/92/96/902759296.db2.gz RWXCRTBWIULQHT-UHFFFAOYSA-N 0 0 407.249 4.072 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1nccs1)c1ccccc1 ZINC000488374399 902788580 /nfs/dbraw/zinc/78/85/80/902788580.db2.gz RWIZCPKVBYWBGJ-KRWDZBQOSA-N 0 0 416.890 4.336 20 5 HIBDRN C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000488380741 902789667 /nfs/dbraw/zinc/78/96/67/902789667.db2.gz CTWWRQNZGXSVDP-ORAYPTAESA-N 0 0 421.856 4.101 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(c2ccc(F)cc2C)CC1 ZINC000488395753 902806514 /nfs/dbraw/zinc/80/65/14/902806514.db2.gz JFYMOJCVEQNFPI-UHFFFAOYSA-N 0 0 401.438 4.140 20 5 HIBDRN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000488403763 902810921 /nfs/dbraw/zinc/81/09/21/902810921.db2.gz DHXUWSCMEDHABV-CYBMUJFWSA-N 0 0 407.455 4.223 20 5 HIBDRN COc1ccc([C@@H](NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)C(F)(F)F)cc1 ZINC000505995795 914665515 /nfs/dbraw/zinc/66/55/15/914665515.db2.gz FJIIJYKPDAUAAZ-GOSISDBHSA-N 0 0 411.380 4.134 20 5 HIBDRN C[C@@]12CCN(c3nc(N4CC[C@@]5(C)[C@@H](C4)C5(F)F)sc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000488438703 902826736 /nfs/dbraw/zinc/82/67/36/902826736.db2.gz MRASGNOPGLGTAA-RZCHIYRCSA-N 0 0 420.432 4.014 20 5 HIBDRN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000488457368 902833992 /nfs/dbraw/zinc/83/39/92/902833992.db2.gz JCJKNHBFNOLDEK-UHFFFAOYSA-N 0 0 424.420 4.348 20 5 HIBDRN COc1cc(Br)ccc1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488548088 902877897 /nfs/dbraw/zinc/87/78/97/902877897.db2.gz TYFGMBDPMMMQTB-GFCCVEGCSA-N 0 0 422.279 4.235 20 5 HIBDRN O=C(Nc1ncc(C2CCCCC2)s1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488579759 902890597 /nfs/dbraw/zinc/89/05/97/902890597.db2.gz TXPZXPOQVOLOLN-UHFFFAOYSA-N 0 0 404.496 4.165 20 5 HIBDRN COCCN(Cc1scnc1C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000488590370 902892828 /nfs/dbraw/zinc/89/28/28/902892828.db2.gz CXQZITOAJZVICG-UHFFFAOYSA-N 0 0 418.397 4.059 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccnc(Oc2ccccc2F)c1 ZINC000488624938 902904366 /nfs/dbraw/zinc/90/43/66/902904366.db2.gz GIKZZDMUMDTEPH-UHFFFAOYSA-N 0 0 412.377 4.252 20 5 HIBDRN O=[N+]([O-])c1ccn(C2CCN(Cc3csc(-c4ccc(Cl)cc4)n3)CC2)n1 ZINC000488747160 902977988 /nfs/dbraw/zinc/97/79/88/902977988.db2.gz IJNIQWSQUASKRT-UHFFFAOYSA-N 0 0 403.895 4.405 20 5 HIBDRN COCCN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCO[C@H]1C ZINC000488809900 903014522 /nfs/dbraw/zinc/01/45/22/903014522.db2.gz AJEDCKCDOUDMOB-YWZLYKJASA-N 0 0 416.499 4.012 20 5 HIBDRN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000488872703 903051387 /nfs/dbraw/zinc/05/13/87/903051387.db2.gz HHOCJQQLTMFMHX-LLVKDONJSA-N 0 0 423.395 4.080 20 5 HIBDRN COc1ccc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cc1 ZINC000506008555 914682589 /nfs/dbraw/zinc/68/25/89/914682589.db2.gz RHPNXEXESXQRIA-MRXNPFEDSA-N 0 0 417.771 4.089 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C ZINC000488890094 903060342 /nfs/dbraw/zinc/06/03/42/903060342.db2.gz CXRRSQDXIWWJKJ-UHFFFAOYSA-N 0 0 417.878 4.083 20 5 HIBDRN O=C(Nc1ccc(NC2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488891835 903061358 /nfs/dbraw/zinc/06/13/58/903061358.db2.gz PPVQFFFGAXMAHN-UHFFFAOYSA-N 0 0 407.373 4.039 20 5 HIBDRN O=C(Nc1cccc(CCC(F)(F)F)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488891036 903061434 /nfs/dbraw/zinc/06/14/34/903061434.db2.gz NSIJUTXIWKWYTH-UHFFFAOYSA-N 0 0 411.384 4.155 20 5 HIBDRN Cc1c(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnn1-c1ccccc1 ZINC000488892903 903063170 /nfs/dbraw/zinc/06/31/70/903063170.db2.gz GRMMJDYPNXZAKZ-UHFFFAOYSA-N 0 0 419.363 4.429 20 5 HIBDRN CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 ZINC000488905015 903070630 /nfs/dbraw/zinc/07/06/30/903070630.db2.gz VYHZKXHXGKCOLZ-AWEZNQCLSA-N 0 0 411.487 4.301 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)nc1 ZINC000488939373 903088487 /nfs/dbraw/zinc/08/84/87/903088487.db2.gz RECNGGCFEJPGPM-UHFFFAOYSA-N 0 0 408.258 4.349 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H]3CCOC4(CCCC4)C3)cc2[N+](=O)[O-])C1 ZINC000489079253 903181116 /nfs/dbraw/zinc/18/11/16/903181116.db2.gz RTDAJUMVRNGMEA-LMMKCTJWSA-N 0 0 415.534 4.299 20 5 HIBDRN Cc1cc([N+](=O)[O-])cn(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)c1=O ZINC000489108754 903201581 /nfs/dbraw/zinc/20/15/81/903201581.db2.gz NYDGPKHVAVEXPL-UHFFFAOYSA-N 0 0 408.845 4.165 20 5 HIBDRN C[C@H](Oc1cccc(CO)c1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000489197800 903256881 /nfs/dbraw/zinc/25/68/81/903256881.db2.gz QVYHDBPKJCHIAP-HNNXBMFYSA-N 0 0 408.410 4.285 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cccc(OC)c2)CC1 ZINC000489223858 903273437 /nfs/dbraw/zinc/27/34/37/903273437.db2.gz GZLYZJOHIDDITH-UHFFFAOYSA-N 0 0 415.515 4.432 20 5 HIBDRN C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000489268461 903296298 /nfs/dbraw/zinc/29/62/98/903296298.db2.gz VEGXQFQYTZTDDU-ZDUSSCGKSA-N 0 0 401.467 4.321 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[N+](=O)[O-] ZINC000489273137 903299760 /nfs/dbraw/zinc/29/97/60/903299760.db2.gz XVTIRXDBGAZNPC-QKKBWIMNSA-N 0 0 411.458 4.186 20 5 HIBDRN COc1cccc2[nH]cc(CC(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)c21 ZINC000489307685 903322087 /nfs/dbraw/zinc/32/20/87/903322087.db2.gz ZIEPWSXXPPZUEP-UHFFFAOYSA-N 0 0 421.375 4.218 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000506026847 914708087 /nfs/dbraw/zinc/70/80/87/914708087.db2.gz NPFODNZBBVENKR-NXEZZACHSA-N 0 0 413.318 4.120 20 5 HIBDRN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000489388510 903359245 /nfs/dbraw/zinc/35/92/45/903359245.db2.gz GFIWKACEMYLHMX-UHFFFAOYSA-N 0 0 412.620 4.388 20 5 HIBDRN CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccccn1 ZINC000489395247 903363888 /nfs/dbraw/zinc/36/38/88/903363888.db2.gz QDHJPFSYTIQUEF-LBPRGKRZSA-N 0 0 423.458 4.172 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)N(C)C2CCCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489416932 903374670 /nfs/dbraw/zinc/37/46/70/903374670.db2.gz XLGAPAFMKSELCT-CQSZACIVSA-N 0 0 417.535 4.145 20 5 HIBDRN Cc1ccc([C@@H](OC[C@H](O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)c2ccccc2)cc1 ZINC000489418602 903376207 /nfs/dbraw/zinc/37/62/07/903376207.db2.gz NMRHQGCGIUXXME-OFNKIYASSA-N 0 0 407.470 4.144 20 5 HIBDRN CC(C)c1c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cnn1-c1ccccc1 ZINC000489451747 903391219 /nfs/dbraw/zinc/39/12/19/903391219.db2.gz SGZCAGUMSLFUCF-UHFFFAOYSA-N 0 0 403.442 4.497 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1[N+](=O)[O-] ZINC000489494755 903422183 /nfs/dbraw/zinc/42/21/83/903422183.db2.gz JWEXZWREWWQSPM-STQMWFEESA-N 0 0 413.409 4.214 20 5 HIBDRN 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O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497601557 907080099 /nfs/dbraw/zinc/08/00/99/907080099.db2.gz QRGVNVQYFSCNOI-CXAGYDPISA-N 0 0 406.385 4.094 20 5 HIBDRN COc1ccc(CSCC(=O)N(Cc2ccccc2)c2ccncc2)cc1[N+](=O)[O-] ZINC000497607282 907084944 /nfs/dbraw/zinc/08/49/44/907084944.db2.gz LRZLEIOCTKQPOF-UHFFFAOYSA-N 0 0 423.494 4.465 20 5 HIBDRN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497648504 907137768 /nfs/dbraw/zinc/13/77/68/907137768.db2.gz DPXYCTLCKWHDRF-KRWDZBQOSA-N 0 0 408.285 4.469 20 5 HIBDRN O=C(NCCc1ccc(F)c(Br)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497660936 907154353 /nfs/dbraw/zinc/15/43/53/907154353.db2.gz KBUDACVLKOWRKW-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1ccccc1Br ZINC000497729714 907227696 /nfs/dbraw/zinc/22/76/96/907227696.db2.gz GQVIISUXOVDBBT-SNVBAGLBSA-N 0 0 413.655 4.208 20 5 HIBDRN CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000497779065 907272408 /nfs/dbraw/zinc/27/24/08/907272408.db2.gz UCSYJWNAEOWHMJ-UHFFFAOYSA-N 0 0 416.455 4.307 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(OC[C@H]2CCCO2)c1 ZINC000497799447 907284334 /nfs/dbraw/zinc/28/43/34/907284334.db2.gz GMLMKYLSKVTYII-CQSZACIVSA-N 0 0 422.384 4.315 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000497822726 907304694 /nfs/dbraw/zinc/30/46/94/907304694.db2.gz UZKDPHYXRTTXHR-CQSZACIVSA-N 0 0 407.401 4.477 20 5 HIBDRN CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000497860062 907337790 /nfs/dbraw/zinc/33/77/90/907337790.db2.gz SEUNEHYZFJHSNH-MRXNPFEDSA-N 0 0 423.391 4.188 20 5 HIBDRN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)n1 ZINC000497907214 907378988 /nfs/dbraw/zinc/37/89/88/907378988.db2.gz CTFOAGNJFZZUHE-UHFFFAOYSA-N 0 0 415.409 4.120 20 5 HIBDRN O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1)c1ccncc1 ZINC000497911471 907382015 /nfs/dbraw/zinc/38/20/15/907382015.db2.gz DTAXZNNJCNXQLR-UHFFFAOYSA-N 0 0 413.393 4.043 20 5 HIBDRN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000497951961 907421507 /nfs/dbraw/zinc/42/15/07/907421507.db2.gz QOBRWLSGPCMHQE-OAHLLOKOSA-N 0 0 419.311 4.338 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc1C(F)(F)F ZINC000498063874 907575614 /nfs/dbraw/zinc/57/56/14/907575614.db2.gz BFGAKIIVEMKGNF-UHFFFAOYSA-N 0 0 400.378 4.259 20 5 HIBDRN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1Br ZINC000498124900 907640568 /nfs/dbraw/zinc/64/05/68/907640568.db2.gz KEGIDTHFDHUIHX-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN O=C(c1ccc(OCc2ccncc2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498131504 907649535 /nfs/dbraw/zinc/64/95/35/907649535.db2.gz IHBKRYNMJGOAAP-JOCHJYFZSA-N 0 0 421.478 4.457 20 5 HIBDRN O=C(CCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000498141006 907662875 /nfs/dbraw/zinc/66/28/75/907662875.db2.gz UTFQABVEQCLZOA-IBGZPJMESA-N 0 0 404.875 4.485 20 5 HIBDRN Cc1noc2nc(C(C)C)cc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)c12 ZINC000498144389 907668697 /nfs/dbraw/zinc/66/86/97/907668697.db2.gz BCXFHDLPAWOFFY-FQEVSTJZSA-N 0 0 412.471 4.451 20 5 HIBDRN O=C(c1cccc(Nc2cnccn2)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498146624 907670374 /nfs/dbraw/zinc/67/03/74/907670374.db2.gz KZPGTGZMLHACOY-HXUWFJFHSA-N 0 0 407.455 4.016 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000498149005 907672035 /nfs/dbraw/zinc/67/20/35/907672035.db2.gz AXJNAQFSUNOWCO-NRFANRHFSA-N 0 0 412.515 4.114 20 5 HIBDRN O=C(c1ccc(OC2CCOCC2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498149817 907675330 /nfs/dbraw/zinc/67/53/30/907675330.db2.gz QOFSCQSQSRNSFJ-NRFANRHFSA-N 0 0 414.483 4.040 20 5 HIBDRN O=C(c1cccc(Oc2cnccn2)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498159900 907686130 /nfs/dbraw/zinc/68/61/30/907686130.db2.gz WRFREFIZNRLPRW-FQEVSTJZSA-N 0 0 408.439 4.065 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Br)cc1F ZINC000498175566 907705515 /nfs/dbraw/zinc/70/55/15/907705515.db2.gz CHUWQCXXSSLJFV-UHFFFAOYSA-N 0 0 404.195 4.321 20 5 HIBDRN COc1ccc(Cl)cc1-c1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n[nH]1 ZINC000512845409 921349424 /nfs/dbraw/zinc/34/94/24/921349424.db2.gz KZMURHOFPPEUQA-UHFFFAOYSA-N 0 0 411.805 4.381 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(OC)c1 ZINC000498238962 907772558 /nfs/dbraw/zinc/77/25/58/907772558.db2.gz VTYZLPPKYUEMEW-MRXNPFEDSA-N 0 0 422.384 4.191 20 5 HIBDRN O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498279637 907815036 /nfs/dbraw/zinc/81/50/36/907815036.db2.gz OYOWHZHSHOKTHN-UHFFFAOYSA-N 0 0 411.324 4.383 20 5 HIBDRN O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498279857 907815354 /nfs/dbraw/zinc/81/53/54/907815354.db2.gz TXBDLVCEUPEHOE-HOCLYGCPSA-N 0 0 401.344 4.448 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000498285759 907819007 /nfs/dbraw/zinc/81/90/07/907819007.db2.gz BXVYMBRBOMRVDP-SFHVURJKSA-N 0 0 415.808 4.149 20 5 HIBDRN COc1cc(Br)cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000498305555 907830135 /nfs/dbraw/zinc/83/01/35/907830135.db2.gz WEGQCMSPJZEEIC-UHFFFAOYSA-N 0 0 404.220 4.028 20 5 HIBDRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1Br ZINC000498332108 907844224 /nfs/dbraw/zinc/84/42/24/907844224.db2.gz JOAWOKHHKCCEDU-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN COc1cc(Br)cc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1 ZINC000498338490 907846786 /nfs/dbraw/zinc/84/67/86/907846786.db2.gz DMKUOJAGMHFNGM-UHFFFAOYSA-N 0 0 409.236 4.082 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccc(O)cc1)CC1CC1 ZINC000498469600 907939875 /nfs/dbraw/zinc/93/98/75/907939875.db2.gz WPPADXNXBGCEEI-UHFFFAOYSA-N 0 0 403.866 4.118 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000498541729 908008157 /nfs/dbraw/zinc/00/81/57/908008157.db2.gz BGGLFZKXCCJNGK-SNVBAGLBSA-N 0 0 424.240 4.029 20 5 HIBDRN CC(C)(C)c1nc(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)cs1 ZINC000498597387 908046640 /nfs/dbraw/zinc/04/66/40/908046640.db2.gz BNBQWVAQPALIJH-UHFFFAOYSA-N 0 0 412.309 4.084 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)cc1 ZINC000498634848 908075294 /nfs/dbraw/zinc/07/52/94/908075294.db2.gz VPMRECCMUYAWPH-ZDUSSCGKSA-N 0 0 417.425 4.246 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)cc1F ZINC000498640019 908080544 /nfs/dbraw/zinc/08/05/44/908080544.db2.gz RNTOGQQQXCDVQJ-LBPRGKRZSA-N 0 0 421.388 4.132 20 5 HIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000498655506 908094294 /nfs/dbraw/zinc/09/42/94/908094294.db2.gz RVCLLIVULUGGJD-CQSZACIVSA-N 0 0 401.426 4.128 20 5 HIBDRN COc1cccc(C2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000498684471 908112927 /nfs/dbraw/zinc/11/29/27/908112927.db2.gz ZLRFSEHZHHBQGX-AWEZNQCLSA-N 0 0 417.893 4.463 20 5 HIBDRN CC(C)Oc1ccc(CC[C@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000498724116 908149350 /nfs/dbraw/zinc/14/93/50/908149350.db2.gz FASPDLLAEAJITF-KRWDZBQOSA-N 0 0 409.486 4.474 20 5 HIBDRN O=C(Nc1ccccc1)[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 ZINC000498868810 908270140 /nfs/dbraw/zinc/27/01/40/908270140.db2.gz TYFHYODVFDQDCF-JOCHJYFZSA-N 0 0 416.437 4.271 20 5 HIBDRN O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000498878805 908276429 /nfs/dbraw/zinc/27/64/29/908276429.db2.gz DVQVFVALHYXBDC-JOCHJYFZSA-N 0 0 420.444 4.249 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000498879629 908278664 /nfs/dbraw/zinc/27/86/64/908278664.db2.gz ITQDSVAWPWUHFE-SFHVURJKSA-N 0 0 422.403 4.491 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C(F)F)ccc2Cl)cc1[N+](=O)[O-] ZINC000498970460 908363144 /nfs/dbraw/zinc/36/31/44/908363144.db2.gz HRXRFQHROXIQBD-SNVBAGLBSA-N 0 0 411.792 4.310 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@@H]2CC(=O)c3ccccc32)cc1[N+](=O)[O-])c1ccccn1 ZINC000499042526 908415801 /nfs/dbraw/zinc/41/58/01/908415801.db2.gz HEBYDFZHPHNFFY-VBKZILBWSA-N 0 0 416.437 4.220 20 5 HIBDRN CCOc1cc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)c([N+](=O)[O-])cc1OC ZINC000499113148 908472690 /nfs/dbraw/zinc/47/26/90/908472690.db2.gz UBGRWPUGNJZBAJ-UHFFFAOYSA-N 0 0 406.385 4.085 20 5 HIBDRN CN(Cc1cc(Br)ccc1F)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000499171076 908523223 /nfs/dbraw/zinc/52/32/23/908523223.db2.gz ZNGIKQZAZIXZPX-UHFFFAOYSA-N 0 0 420.238 4.110 20 5 HIBDRN O=C(NCCc1ccc2ccccc2n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000499207609 908561695 /nfs/dbraw/zinc/56/16/95/908561695.db2.gz YSJXCFONMHYUBA-UHFFFAOYSA-N 0 0 419.359 4.057 20 5 HIBDRN COc1cccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])c1OC1CCCC1 ZINC000499215233 908571677 /nfs/dbraw/zinc/57/16/77/908571677.db2.gz YTHUUXYBNWTANX-UHFFFAOYSA-N 0 0 413.474 4.043 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC000499223822 908580735 /nfs/dbraw/zinc/58/07/35/908580735.db2.gz UOLVZMGYVWULLM-OAHLLOKOSA-N 0 0 418.490 4.123 20 5 HIBDRN CCOc1cc(NC(=O)c2cn(C)nc2-c2cccs2)c([N+](=O)[O-])cc1OCC ZINC000512935218 921424432 /nfs/dbraw/zinc/42/44/32/921424432.db2.gz BJVBBASNLPUQKP-UHFFFAOYSA-N 0 0 416.459 4.107 20 5 HIBDRN CCOc1ccc(-c2nc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000512934978 921424553 /nfs/dbraw/zinc/42/45/53/921424553.db2.gz YNOQSQDKOWOEFN-UHFFFAOYSA-N 0 0 411.483 4.432 20 5 HIBDRN CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000499319148 908692215 /nfs/dbraw/zinc/69/22/15/908692215.db2.gz FSDAPLMCMCIPOV-SFHVURJKSA-N 0 0 424.906 4.121 20 5 HIBDRN O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000499349749 908721931 /nfs/dbraw/zinc/72/19/31/908721931.db2.gz LKOINWIPCAGXRJ-CYBMUJFWSA-N 0 0 409.225 4.090 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2[C@@H](C)COC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000499357857 908727020 /nfs/dbraw/zinc/72/70/20/908727020.db2.gz FRNAFPBZKZEYNA-KPZWWZAWSA-N 0 0 419.275 4.268 20 5 HIBDRN COCc1c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)sc2cccc(F)c21 ZINC000512955368 921436198 /nfs/dbraw/zinc/43/61/98/921436198.db2.gz PNZAOOUEKLLMHI-UHFFFAOYSA-N 0 0 402.447 4.410 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC000499449759 908804306 /nfs/dbraw/zinc/80/43/06/908804306.db2.gz PMUPUJPOPSAYRX-UHFFFAOYSA-N 0 0 415.858 4.200 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)cc1OC ZINC000499459924 908806389 /nfs/dbraw/zinc/80/63/89/908806389.db2.gz ULORWEIQBFSHCF-INIZCTEOSA-N 0 0 416.474 4.079 20 5 HIBDRN C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccc(F)c1F ZINC000499469447 908808637 /nfs/dbraw/zinc/80/86/37/908808637.db2.gz CISQUNXHXSFWSV-ZDUSSCGKSA-N 0 0 405.401 4.187 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000512966796 921442740 /nfs/dbraw/zinc/44/27/40/921442740.db2.gz KRNAJNVNABSWCX-UHFFFAOYSA-N 0 0 419.268 4.402 20 5 HIBDRN COc1ccc(-c2ccc(C)c(NC(=O)CCOc3ccccc3[N+](=O)[O-])c2)cn1 ZINC000512969053 921443960 /nfs/dbraw/zinc/44/39/60/921443960.db2.gz VVAGKDHAPMIDFU-UHFFFAOYSA-N 0 0 407.426 4.381 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000512973081 921447431 /nfs/dbraw/zinc/44/74/31/921447431.db2.gz IWAHZCQUUPQPIL-ZRCAFCQKSA-N 0 0 424.497 4.122 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000499686667 908877204 /nfs/dbraw/zinc/87/72/04/908877204.db2.gz LERVKGTZYSRYLE-UHFFFAOYSA-N 0 0 401.422 4.358 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000512980533 921451102 /nfs/dbraw/zinc/45/11/02/921451102.db2.gz WTKODOQYWWASCE-UHFFFAOYSA-N 0 0 417.465 4.186 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000512984876 921454062 /nfs/dbraw/zinc/45/40/62/921454062.db2.gz KXCHFTUJOUNAAR-UHFFFAOYSA-N 0 0 413.474 4.025 20 5 HIBDRN CCC[C@@H](C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000499815496 908944766 /nfs/dbraw/zinc/94/47/66/908944766.db2.gz SWMPUBPDNMHGFP-CQSZACIVSA-N 0 0 419.503 4.469 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000513003655 921469846 /nfs/dbraw/zinc/46/98/46/921469846.db2.gz JUOUXIPNDIGKIR-JTQLQIEISA-N 0 0 413.327 4.367 20 5 HIBDRN CCc1ccc(-n2nc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c3c2CCC3)cc1 ZINC000513030296 921489925 /nfs/dbraw/zinc/48/99/25/921489925.db2.gz FGWKKBXWXGNJOG-UHFFFAOYSA-N 0 0 418.497 4.146 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000513038266 921496196 /nfs/dbraw/zinc/49/61/96/921496196.db2.gz QTLLPHRJFZPCTQ-UHFFFAOYSA-N 0 0 417.465 4.186 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000500085605 909563229 /nfs/dbraw/zinc/56/32/29/909563229.db2.gz GTOHIDUFBRXHOZ-HTAPYJJXSA-N 0 0 417.465 4.252 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3cccc(F)c3F)cc2)c(C)c1[N+](=O)[O-] ZINC000500122447 909603242 /nfs/dbraw/zinc/60/32/42/909603242.db2.gz NSDAUIUKKNGOAD-LBPRGKRZSA-N 0 0 414.412 4.226 20 5 HIBDRN COc1ccc(S(=O)(=O)N(C)[C@H](c2ccccc2Cl)C(C)C)cc1[N+](=O)[O-] ZINC000500151824 909628009 /nfs/dbraw/zinc/62/80/09/909628009.db2.gz VQGUVAVDHQXMBK-SFHVURJKSA-N 0 0 412.895 4.275 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(-c2ccsc2)nn1-c1ccccc1 ZINC000500218691 909710823 /nfs/dbraw/zinc/71/08/23/909710823.db2.gz MROODJNLJBHTES-UHFFFAOYSA-N 0 0 422.470 4.043 20 5 HIBDRN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000500225579 909716613 /nfs/dbraw/zinc/71/66/13/909716613.db2.gz LDMJGFSCJIGFDX-AWEZNQCLSA-N 0 0 411.483 4.101 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000500230731 909719298 /nfs/dbraw/zinc/71/92/98/909719298.db2.gz LLGKBEUVOXCWJP-UHFFFAOYSA-N 0 0 402.300 4.326 20 5 HIBDRN CN(Cc1cc(Br)cs1)c1c(Br)cncc1[N+](=O)[O-] ZINC000500253765 909739656 /nfs/dbraw/zinc/73/96/56/909739656.db2.gz OYBXUMZUZNVRLR-UHFFFAOYSA-N 0 0 407.087 4.213 20 5 HIBDRN CO[C@H]1Cc2ccccc2N(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000500285004 909760195 /nfs/dbraw/zinc/76/01/95/909760195.db2.gz WTQOAHAQQCGKKB-FQEVSTJZSA-N 0 0 417.465 4.425 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000500336521 909796487 /nfs/dbraw/zinc/79/64/87/909796487.db2.gz XIPJIUXGUGZUIS-CHWSQXEVSA-N 0 0 423.391 4.169 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000500350457 909806885 /nfs/dbraw/zinc/80/68/85/909806885.db2.gz MDFSQHDWYAIKCQ-YPMHNXCESA-N 0 0 423.391 4.169 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000500374705 909822271 /nfs/dbraw/zinc/82/22/71/909822271.db2.gz FYRLQHDQMURCJE-CHEWIWEYSA-N 0 0 404.510 4.083 20 5 HIBDRN COc1cccc(Cn2ccc3ccc(NC(=O)c4c(N)cccc4[N+](=O)[O-])cc32)c1 ZINC000500396219 909833169 /nfs/dbraw/zinc/83/31/69/909833169.db2.gz UHKSAWASOOMPNJ-UHFFFAOYSA-N 0 0 416.437 4.441 20 5 HIBDRN CC[C@@H](NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000500399264 909836553 /nfs/dbraw/zinc/83/65/53/909836553.db2.gz SLYYHGSKWDZRIA-MRXNPFEDSA-N 0 0 421.881 4.258 20 5 HIBDRN O=c1c(Cl)c(NCCc2ccc(F)cc2Cl)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000500412663 909843718 /nfs/dbraw/zinc/84/37/18/909843718.db2.gz FCBCELMUWNYHES-UHFFFAOYSA-N 0 0 423.231 4.241 20 5 HIBDRN CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000500491781 909887452 /nfs/dbraw/zinc/88/74/52/909887452.db2.gz ODVCBTBUPYILSC-QGZVFWFLSA-N 0 0 423.513 4.203 20 5 HIBDRN O=C(NCc1ccccc1OC(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000500513199 909898037 /nfs/dbraw/zinc/89/80/37/909898037.db2.gz MKKCSQXJAODRFA-UHFFFAOYSA-N 0 0 409.364 4.024 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000500538841 909914552 /nfs/dbraw/zinc/91/45/52/909914552.db2.gz SCLKTGQLURJGCE-ZDUSSCGKSA-N 0 0 417.512 4.320 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCCC[C@H]2C(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC000500618304 909970556 /nfs/dbraw/zinc/97/05/56/909970556.db2.gz FZFLLEXBUFHQLF-GUYCJALGSA-N 0 0 404.417 4.423 20 5 HIBDRN CN(C)Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1Cl ZINC000500786899 910079010 /nfs/dbraw/zinc/07/90/10/910079010.db2.gz LYYNPSWGPGCQCL-UHFFFAOYSA-N 0 0 402.882 4.162 20 5 HIBDRN CC(C)(C)C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000500792430 910082106 /nfs/dbraw/zinc/08/21/06/910082106.db2.gz UXZDXVHFAVQMRJ-QGZVFWFLSA-N 0 0 411.437 4.222 20 5 HIBDRN COC(=O)[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000500857556 910132220 /nfs/dbraw/zinc/13/22/20/910132220.db2.gz HCRAGRIYZUVZEB-SJCJKPOMSA-N 0 0 407.264 4.231 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1c(F)cccc1Oc1ccccc1 ZINC000500926039 910187388 /nfs/dbraw/zinc/18/73/88/910187388.db2.gz FVTWREHEAPBQNB-AWEZNQCLSA-N 0 0 423.400 4.283 20 5 HIBDRN CCc1nn(C)cc1N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000500985536 910217502 /nfs/dbraw/zinc/21/75/02/910217502.db2.gz ZDVDOYZKRCRVEA-LJQANCHMSA-N 0 0 413.865 4.336 20 5 HIBDRN Cc1cccc(CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2cccc(C)n2)n1 ZINC000500992739 910221251 /nfs/dbraw/zinc/22/12/51/910221251.db2.gz PAMVCPBONZJASJ-UHFFFAOYSA-N 0 0 419.485 4.033 20 5 HIBDRN O=C(CCN1CCO[C@H](c2ccccc2C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501052258 910263685 /nfs/dbraw/zinc/26/36/85/910263685.db2.gz HEXQFPKQNYXUCV-SFHVURJKSA-N 0 0 423.391 4.016 20 5 HIBDRN CC(C)c1nc([C@@H]2CCCCCN2c2ncc([N+](=O)[O-])cc2Br)no1 ZINC000501100540 910295077 /nfs/dbraw/zinc/29/50/77/910295077.db2.gz HXFNQZCOJNOYKF-ZDUSSCGKSA-N 0 0 410.272 4.380 20 5 HIBDRN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)c1 ZINC000501196726 910359297 /nfs/dbraw/zinc/35/92/97/910359297.db2.gz IPPJDGCZHQSTMY-JOCHJYFZSA-N 0 0 415.440 4.353 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@@H]2CCC[C@H]2OC(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC000501295458 910450345 /nfs/dbraw/zinc/45/03/45/910450345.db2.gz NRJRHLVIEJLBQB-BJOOFOGMSA-N 0 0 420.416 4.053 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000501308134 910460934 /nfs/dbraw/zinc/46/09/34/910460934.db2.gz IGBCLYOXEZLVEY-LJQANCHMSA-N 0 0 406.360 4.275 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCCC(C)C ZINC000501431205 910561144 /nfs/dbraw/zinc/56/11/44/910561144.db2.gz AQOLVMZOVDBPII-MRXNPFEDSA-N 0 0 400.475 4.448 20 5 HIBDRN CC(=O)C[C@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000501443279 910569174 /nfs/dbraw/zinc/56/91/74/910569174.db2.gz CWVUNPOJIFZETG-NSHDSACASA-N 0 0 415.496 4.453 20 5 HIBDRN CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000501515295 910624936 /nfs/dbraw/zinc/62/49/36/910624936.db2.gz VWAYSJTWTMRPGB-OAHLLOKOSA-N 0 0 408.458 4.227 20 5 HIBDRN COc1ccc(CN(CC2CC2)C(=O)c2cccc(SC)c2[N+](=O)[O-])c(OC)c1 ZINC000501687180 910757968 /nfs/dbraw/zinc/75/79/68/910757968.db2.gz BARVKZMISIQVEF-UHFFFAOYSA-N 0 0 416.499 4.386 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)OC)cc1[N+](=O)[O-] ZINC000501690000 910759268 /nfs/dbraw/zinc/75/92/68/910759268.db2.gz NNVPEDVOSXYJJY-UHFFFAOYSA-N 0 0 411.336 4.084 20 5 HIBDRN O=C(NC1CC1)c1ccc(NCc2ccc(Oc3cccnc3)c(F)c2)c([N+](=O)[O-])c1 ZINC000513179118 921604643 /nfs/dbraw/zinc/60/46/43/921604643.db2.gz QGZKXWVNTJAOMJ-UHFFFAOYSA-N 0 0 422.416 4.426 20 5 HIBDRN CCOc1cc(NC(=O)C2(c3ccccc3OC)CC2)c([N+](=O)[O-])cc1OCC ZINC000501945459 910931911 /nfs/dbraw/zinc/93/19/11/910931911.db2.gz CABXBMRQZCWXFM-UHFFFAOYSA-N 0 0 400.431 4.071 20 5 HIBDRN CN(Cc1cc(Br)ccc1F)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000502066089 911010914 /nfs/dbraw/zinc/01/09/14/911010914.db2.gz MAYKDRZRWJYYKF-UHFFFAOYSA-N 0 0 413.268 4.247 20 5 HIBDRN Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000502096202 911033735 /nfs/dbraw/zinc/03/37/35/911033735.db2.gz VEJGZSXHLZAGGO-UONOGXRCSA-N 0 0 423.473 4.301 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](c2ccccc2F)C1 ZINC000502117288 911045383 /nfs/dbraw/zinc/04/53/83/911045383.db2.gz UUHULSVOBGNGPO-ZDUSSCGKSA-N 0 0 407.239 4.055 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000502118418 911047716 /nfs/dbraw/zinc/04/77/16/911047716.db2.gz LFNOUYSDJPYHLO-CQSZACIVSA-N 0 0 424.432 4.469 20 5 HIBDRN O=C(CCn1cc(Cl)cc([N+](=O)[O-])c1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000502146634 911067778 /nfs/dbraw/zinc/06/77/78/911067778.db2.gz ZUQIAKMMYWVNER-UHFFFAOYSA-N 0 0 413.817 4.231 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000502278628 911228266 /nfs/dbraw/zinc/22/82/66/911228266.db2.gz MMCUFLOCNPCYAD-HNNXBMFYSA-N 0 0 400.475 4.488 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCC[C@H](COC)C2)c([N+](=O)[O-])cc1OCCC ZINC000502326574 911302512 /nfs/dbraw/zinc/30/25/12/911302512.db2.gz QCKWWRVINWGLIS-HNNXBMFYSA-N 0 0 409.483 4.063 20 5 HIBDRN COc1cc([C@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)ccc1OCc1ccccc1 ZINC000502417227 911396717 /nfs/dbraw/zinc/39/67/17/911396717.db2.gz LZGUVSWIPYEJFL-HNNXBMFYSA-N 0 0 419.441 4.398 20 5 HIBDRN COc1cc([C@@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)ccc1OCc1ccccc1 ZINC000502417228 911397780 /nfs/dbraw/zinc/39/77/80/911397780.db2.gz LZGUVSWIPYEJFL-OAHLLOKOSA-N 0 0 419.441 4.398 20 5 HIBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000502439683 911426093 /nfs/dbraw/zinc/42/60/93/911426093.db2.gz BOBXTVSXZUANCG-ZDUSSCGKSA-N 0 0 413.503 4.108 20 5 HIBDRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000502479445 911475293 /nfs/dbraw/zinc/47/52/93/911475293.db2.gz AAHJFARGQDYLOP-DGCLKSJQSA-N 0 0 422.268 4.132 20 5 HIBDRN C[C@@H](c1ccccc1Br)N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000502487696 911486677 /nfs/dbraw/zinc/48/66/77/911486677.db2.gz VXVRWKOBXXRAIP-ZDUSSCGKSA-N 0 0 406.280 4.302 20 5 HIBDRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000502534653 911539835 /nfs/dbraw/zinc/53/98/35/911539835.db2.gz QGFWSZIRYHTCHY-HXUWFJFHSA-N 0 0 424.428 4.222 20 5 HIBDRN COc1cc(Cl)ccc1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000502539099 911544638 /nfs/dbraw/zinc/54/46/38/911544638.db2.gz DSLLLASNKNAIJI-UHFFFAOYSA-N 0 0 403.847 4.310 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000502540182 911546900 /nfs/dbraw/zinc/54/69/00/911546900.db2.gz MBEHISBLWFAUAK-KRWDZBQOSA-N 0 0 403.504 4.257 20 5 HIBDRN COc1ccc(CNC(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000502542403 911549582 /nfs/dbraw/zinc/54/95/82/911549582.db2.gz NQHOLUNYASJNDO-HNNXBMFYSA-N 0 0 419.865 4.010 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)n1 ZINC000502566199 911571679 /nfs/dbraw/zinc/57/16/79/911571679.db2.gz ATUWUYGPLLKPOV-UHFFFAOYSA-N 0 0 422.470 4.064 20 5 HIBDRN CCOc1ccc(NC(=O)CNc2ccc(Cl)c(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000502623951 911652660 /nfs/dbraw/zinc/65/26/60/911652660.db2.gz UZYSDIAVXVLORE-UHFFFAOYSA-N 0 0 415.780 4.299 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)ccc1OCc1ccncc1 ZINC000502723491 911752984 /nfs/dbraw/zinc/75/29/84/911752984.db2.gz BSTJISFVKBJYGC-CYBMUJFWSA-N 0 0 413.455 4.130 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000513303057 921698862 /nfs/dbraw/zinc/69/88/62/921698862.db2.gz CLTURVBDALZEMD-UHFFFAOYSA-N 0 0 409.364 4.402 20 5 HIBDRN Cc1nn(CC(=O)N[C@@H](c2cccs2)c2ccccc2)c2ccc([N+](=O)[O-])cc12 ZINC000502860014 911868159 /nfs/dbraw/zinc/86/81/59/911868159.db2.gz FYTOCVHXPTXEPC-OAQYLSRUSA-N 0 0 406.467 4.220 20 5 HIBDRN Cc1nn(CC(=O)Nc2ccccc2Cc2ccccc2)c2ccc([N+](=O)[O-])cc12 ZINC000502913351 911900975 /nfs/dbraw/zinc/90/09/75/911900975.db2.gz VWGBRPGMXGTLBK-UHFFFAOYSA-N 0 0 400.438 4.482 20 5 HIBDRN Cc1ccc(CNC(=O)c2cccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000503012903 911985564 /nfs/dbraw/zinc/98/55/64/911985564.db2.gz JEIHYEXYIYWHNW-UHFFFAOYSA-N 0 0 418.453 4.155 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nccn1CC(F)(F)F ZINC000503033561 912002818 /nfs/dbraw/zinc/00/28/18/912002818.db2.gz NWXYIKISXMFHRJ-UHFFFAOYSA-N 0 0 416.425 4.128 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1cccc2cccnc21 ZINC000503035835 912004047 /nfs/dbraw/zinc/00/40/47/912004047.db2.gz TZPSZROAUZBJJU-UHFFFAOYSA-N 0 0 424.482 4.014 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000503117170 912081192 /nfs/dbraw/zinc/08/11/92/912081192.db2.gz YVBIVPITCFLPTN-GOSISDBHSA-N 0 0 403.504 4.056 20 5 HIBDRN COc1ccc(NC(=O)c2nn(-c3ccccc3)cc2OCC(C)C)c([N+](=O)[O-])c1 ZINC000503133627 912095770 /nfs/dbraw/zinc/09/57/70/912095770.db2.gz SSSHLSSWUGFLTR-UHFFFAOYSA-N 0 0 410.430 4.076 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000506292320 914887916 /nfs/dbraw/zinc/88/79/16/914887916.db2.gz LXHYZWZDCGXHCY-QGZVFWFLSA-N 0 0 417.334 4.403 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N(C)C[C@H]3OCCc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000506333145 914944762 /nfs/dbraw/zinc/94/47/62/914944762.db2.gz CPFVRBANDOMRSV-UZUQRXQVSA-N 0 0 423.513 4.217 20 5 HIBDRN O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000506471580 915068862 /nfs/dbraw/zinc/06/88/62/915068862.db2.gz DKZRYFJXISDXRW-UHFFFAOYSA-N 0 0 421.856 4.117 20 5 HIBDRN CCOC(=O)c1cnc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 ZINC000506523477 915158148 /nfs/dbraw/zinc/15/81/48/915158148.db2.gz GMIDPXDRVGRCND-UHFFFAOYSA-N 0 0 417.487 4.475 20 5 HIBDRN O=[N+]([O-])c1cncc(Cl)c1OCc1cc2c(cc1Br)OCCCO2 ZINC000506552372 915197434 /nfs/dbraw/zinc/19/74/34/915197434.db2.gz HDLMWIKOPSMWNK-UHFFFAOYSA-N 0 0 415.627 4.146 20 5 HIBDRN COc1ccc([C@H](NC(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C(C)C)cc1 ZINC000513380586 921753826 /nfs/dbraw/zinc/75/38/26/921753826.db2.gz JLQGURURYWRQCV-HSZRJFAPSA-N 0 0 413.518 4.327 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c1[N+](=O)[O-] ZINC000506617117 915274678 /nfs/dbraw/zinc/27/46/78/915274678.db2.gz VLJVIUOLEUHPHE-UHFFFAOYSA-N 0 0 404.320 4.164 20 5 HIBDRN CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000506706996 915384145 /nfs/dbraw/zinc/38/41/45/915384145.db2.gz MSFAUWLTHOMPTH-SGTLLEGYSA-N 0 0 403.866 4.340 20 5 HIBDRN O=C(NCCc1cc(C(F)(F)F)ccn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506750686 915445281 /nfs/dbraw/zinc/44/52/81/915445281.db2.gz VNMMLGAEUPMIQR-UHFFFAOYSA-N 0 0 422.388 4.105 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000506769225 915476269 /nfs/dbraw/zinc/47/62/69/915476269.db2.gz VICGGJWZNIFICT-UHFFFAOYSA-N 0 0 401.831 4.252 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000506843583 915621695 /nfs/dbraw/zinc/62/16/95/915621695.db2.gz WSWCJWQRLBPXHR-UHFFFAOYSA-N 0 0 417.315 4.005 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(NCc4ccccc4)s3)cc2N1 ZINC000506871667 915662371 /nfs/dbraw/zinc/66/23/71/915662371.db2.gz HFWLJSAYSRWIKG-UHFFFAOYSA-N 0 0 413.484 4.094 20 5 HIBDRN CNC(=O)c1ccc(N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000506960946 915768900 /nfs/dbraw/zinc/76/89/00/915768900.db2.gz DXEKEYXIFPXKFK-UHFFFAOYSA-N 0 0 421.501 4.194 20 5 HIBDRN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513429481 921799833 /nfs/dbraw/zinc/79/98/33/921799833.db2.gz UDSTXKVIFPQAMO-OAHLLOKOSA-N 0 0 416.499 4.002 20 5 HIBDRN Cc1cc(C)n(-c2cccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000507054318 915844291 /nfs/dbraw/zinc/84/42/91/915844291.db2.gz RDNHEHIOBNNDTB-UHFFFAOYSA-N 0 0 416.441 4.050 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000507094148 915866451 /nfs/dbraw/zinc/86/64/51/915866451.db2.gz KLROLBCKPCDPAP-CQSZACIVSA-N 0 0 415.519 4.112 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000507238486 915997797 /nfs/dbraw/zinc/99/77/97/915997797.db2.gz RZDBTCVTWTUDKC-JOCHJYFZSA-N 0 0 419.485 4.186 20 5 HIBDRN C[C@H](N[C@@H](C)c1ccc(Br)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000507248065 916009312 /nfs/dbraw/zinc/00/93/12/916009312.db2.gz SEYBYDOQMIRGMK-QWRGUYRKSA-N 0 0 410.243 4.174 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c1[N+](=O)[O-] ZINC000507291029 916058420 /nfs/dbraw/zinc/05/84/20/916058420.db2.gz LVLHHDZFNWBGQH-INIZCTEOSA-N 0 0 408.462 4.199 20 5 HIBDRN COCCSc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000507334582 916090744 /nfs/dbraw/zinc/09/07/44/916090744.db2.gz QQLWATHLLSAGHQ-LSDHHAIUSA-N 0 0 403.504 4.455 20 5 HIBDRN CCCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000507457457 916226524 /nfs/dbraw/zinc/22/65/24/916226524.db2.gz BRRLYHXPFOLJKF-INIZCTEOSA-N 0 0 423.469 4.461 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000507467131 916235983 /nfs/dbraw/zinc/23/59/83/916235983.db2.gz VUHSGKGPIWXTIT-CYBMUJFWSA-N 0 0 410.517 4.143 20 5 HIBDRN Cc1c(Br)cc(C(=O)N[C@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000507551874 916308394 /nfs/dbraw/zinc/30/83/94/916308394.db2.gz IVRSBJHPQLRWMQ-SNVBAGLBSA-N 0 0 424.198 4.156 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1OC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000507683791 916455609 /nfs/dbraw/zinc/45/56/09/916455609.db2.gz MTQWAYJCGOQWMU-UHFFFAOYSA-N 0 0 409.442 4.324 20 5 HIBDRN CC(=O)c1c(C)cc(C)c(C[S@](=O)CCC(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000507700971 916485913 /nfs/dbraw/zinc/48/59/13/916485913.db2.gz YVAWETFCOJOSRB-GDLZYMKVSA-N 0 0 416.499 4.000 20 5 HIBDRN Cc1ccc(OC2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C)CC2)cc1C ZINC000507927732 916803779 /nfs/dbraw/zinc/80/37/79/916803779.db2.gz AEYCQMPEPRUKNC-UHFFFAOYSA-N 0 0 407.474 4.055 20 5 HIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2nc3ccccc3s2)CC1 ZINC000507945832 916810898 /nfs/dbraw/zinc/81/08/98/916810898.db2.gz OOSUGKSSKBTIIE-UHFFFAOYSA-N 0 0 420.498 4.384 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000508009565 916848930 /nfs/dbraw/zinc/84/89/30/916848930.db2.gz QRHZQVGFJUNBAN-HNNXBMFYSA-N 0 0 402.472 4.435 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 ZINC000508022579 916858759 /nfs/dbraw/zinc/85/87/59/916858759.db2.gz VMRAZUNISMLGJA-UHFFFAOYSA-N 0 0 420.347 4.282 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000508042195 916871012 /nfs/dbraw/zinc/87/10/12/916871012.db2.gz FHHBGIYPOBUQRI-LBPRGKRZSA-N 0 0 402.394 4.304 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccnc2ccccc21 ZINC000508083151 916900992 /nfs/dbraw/zinc/90/09/92/916900992.db2.gz KLJNYADXRPBOBW-UHFFFAOYSA-N 0 0 404.348 4.004 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N([C@H](C)c1ccccc1)C1CCCC1 ZINC000508126868 916944291 /nfs/dbraw/zinc/94/42/91/916944291.db2.gz GOYXNGXLLDCDSY-OAHLLOKOSA-N 0 0 404.488 4.298 20 5 HIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCn2c(cc3c2cccc3Cl)C1 ZINC000508154642 916976165 /nfs/dbraw/zinc/97/61/65/916976165.db2.gz LVJHXWPLTXVORH-UHFFFAOYSA-N 0 0 408.849 4.019 20 5 HIBDRN Cc1ccccc1NC(=O)COc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000508161621 916983802 /nfs/dbraw/zinc/98/38/02/916983802.db2.gz KQWDXRMWCUUUGB-UHFFFAOYSA-N 0 0 416.231 4.231 20 5 HIBDRN Cc1ccc(CN(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])c[nH]2)c(Br)c1 ZINC000508227642 917046318 /nfs/dbraw/zinc/04/63/18/917046318.db2.gz VKCFZGVWAXOBBJ-UHFFFAOYSA-N 0 0 418.247 4.429 20 5 HIBDRN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000508257843 917076760 /nfs/dbraw/zinc/07/67/60/917076760.db2.gz QBMISCUVPPAOIT-UHFFFAOYSA-N 0 0 422.363 4.119 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000508374316 917174131 /nfs/dbraw/zinc/17/41/31/917174131.db2.gz CZGKUBMUYLYOHS-HNNXBMFYSA-N 0 0 403.504 4.173 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000508374319 917174726 /nfs/dbraw/zinc/17/47/26/917174726.db2.gz CZGKUBMUYLYOHS-OAHLLOKOSA-N 0 0 403.504 4.173 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000508466918 917251675 /nfs/dbraw/zinc/25/16/75/917251675.db2.gz NUMZZFQWHGEEDU-ZBFHGGJFSA-N 0 0 408.376 4.445 20 5 HIBDRN COC(=O)c1occc1CN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H](C)c1ccccn1 ZINC000508502104 917286451 /nfs/dbraw/zinc/28/64/51/917286451.db2.gz GXDVKPYHCMFTKV-OAHLLOKOSA-N 0 0 423.425 4.081 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000508589498 917361466 /nfs/dbraw/zinc/36/14/66/917361466.db2.gz RDUSPFIOZLXMJU-UHFFFAOYSA-N 0 0 414.414 4.127 20 5 HIBDRN CC(C)Oc1ncccc1-c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000508600328 917370571 /nfs/dbraw/zinc/37/05/71/917370571.db2.gz QDBREOMQUORWRV-UHFFFAOYSA-N 0 0 412.449 4.435 20 5 HIBDRN CC(C)Oc1ncccc1-c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000508666249 917432426 /nfs/dbraw/zinc/43/24/26/917432426.db2.gz OHBUMHWFBHJWIJ-UHFFFAOYSA-N 0 0 405.208 4.257 20 5 HIBDRN COc1ccc([C@H]2C[C@H](NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000508674901 917440058 /nfs/dbraw/zinc/44/00/58/917440058.db2.gz HECQOYLDMAVDGO-KOMQPUFPSA-N 0 0 401.438 4.223 20 5 HIBDRN COc1ccc([C@H]2C[C@H](NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)C2)cc1F ZINC000508681488 917445689 /nfs/dbraw/zinc/44/56/89/917445689.db2.gz QLRFSDCLKNNRTH-QAQDUYKDSA-N 0 0 413.449 4.363 20 5 HIBDRN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1 ZINC000508784616 917539798 /nfs/dbraw/zinc/53/97/98/917539798.db2.gz NKGZIZBXFZDYHZ-MRXNPFEDSA-N 0 0 424.238 4.471 20 5 HIBDRN C[C@@H]1c2cccc(Br)c2CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000508809264 917564055 /nfs/dbraw/zinc/56/40/55/917564055.db2.gz CLLZNQFJWQHQGC-GFCCVEGCSA-N 0 0 404.264 4.186 20 5 HIBDRN C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC000508820467 917574059 /nfs/dbraw/zinc/57/40/59/917574059.db2.gz ROEOBIUUNWWAPO-NSHDSACASA-N 0 0 420.347 4.012 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000508927562 917686392 /nfs/dbraw/zinc/68/63/92/917686392.db2.gz YZGKNRHUPAEBSF-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1I)c1cccc(C)c1 ZINC000509019340 917773591 /nfs/dbraw/zinc/77/35/91/917773591.db2.gz XBIGWLOQKIIRID-UHFFFAOYSA-N 0 0 410.211 4.175 20 5 HIBDRN C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000509020501 917774924 /nfs/dbraw/zinc/77/49/24/917774924.db2.gz DUFIYPUDCDOXFP-CYBMUJFWSA-N 0 0 412.396 4.371 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1Cl ZINC000509026391 917780826 /nfs/dbraw/zinc/78/08/26/917780826.db2.gz KBZXJIWICQSMOP-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000509036010 917789985 /nfs/dbraw/zinc/78/99/85/917789985.db2.gz YSVDCUCKBQUSCF-OAQYLSRUSA-N 0 0 402.422 4.169 20 5 HIBDRN COC(=O)c1cc(C(=O)N(Cc2ccc3ccccc3c2)C2CC2)cc([N+](=O)[O-])c1 ZINC000509046486 917798982 /nfs/dbraw/zinc/79/89/82/917798982.db2.gz DNJHJZXTYOMIDH-UHFFFAOYSA-N 0 0 404.422 4.339 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000509051117 917801489 /nfs/dbraw/zinc/80/14/89/917801489.db2.gz ODBMZERGRIRGLZ-FQEVSTJZSA-N 0 0 406.438 4.082 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)CSc1ccccc1OC ZINC000509070826 917816788 /nfs/dbraw/zinc/81/67/88/917816788.db2.gz OMOTYBGGEUHGSI-ZDUSSCGKSA-N 0 0 405.476 4.162 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000509158299 917875462 /nfs/dbraw/zinc/87/54/62/917875462.db2.gz YTZHMAUFMLBJOR-UHFFFAOYSA-N 0 0 424.501 4.450 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000509168041 917881506 /nfs/dbraw/zinc/88/15/06/917881506.db2.gz MNSCDUXRGSMIDQ-IBGZPJMESA-N 0 0 410.442 4.154 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(c2ccc(Cl)cc2)C(C)C)cc1OC ZINC000509173025 917886528 /nfs/dbraw/zinc/88/65/28/917886528.db2.gz WSYFLMFWNBZBKE-UHFFFAOYSA-N 0 0 422.865 4.337 20 5 HIBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)cc1 ZINC000509173127 917886940 /nfs/dbraw/zinc/88/69/40/917886940.db2.gz XNGULNNRTHKONT-HXUWFJFHSA-N 0 0 424.469 4.029 20 5 HIBDRN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)n1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000509214685 917916205 /nfs/dbraw/zinc/91/62/05/917916205.db2.gz ZWYIXBJDUGDXNA-UHFFFAOYSA-N 0 0 411.361 4.023 20 5 HIBDRN COCCOc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)c1 ZINC000509236689 917932353 /nfs/dbraw/zinc/93/23/53/917932353.db2.gz SNSWZSNPUIQOMJ-UHFFFAOYSA-N 0 0 401.463 4.371 20 5 HIBDRN O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000509260822 917950279 /nfs/dbraw/zinc/95/02/79/917950279.db2.gz WQBYPFWPXUWJNH-KRWDZBQOSA-N 0 0 422.338 4.343 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cc3ccccn3)ccc2C)c1C ZINC000509383487 918050253 /nfs/dbraw/zinc/05/02/53/918050253.db2.gz IISVDMFFYPKPPN-UHFFFAOYSA-N 0 0 411.483 4.307 20 5 HIBDRN CCCc1nc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)co1 ZINC000509403677 918069571 /nfs/dbraw/zinc/06/95/71/918069571.db2.gz NVJNAGOXDIPHAH-UHFFFAOYSA-N 0 0 407.386 4.233 20 5 HIBDRN Cn1cc(CNCc2ccsc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509432114 918089813 /nfs/dbraw/zinc/08/98/13/918089813.db2.gz XVJHAFRPRZRTGO-UHFFFAOYSA-N 0 0 407.293 4.109 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc([N+](=O)[O-])c1 ZINC000509446848 918099847 /nfs/dbraw/zinc/09/98/47/918099847.db2.gz HDCMREGEGBNVGX-UHFFFAOYSA-N 0 0 417.830 4.411 20 5 HIBDRN C[C@@H](Nc1nc(N[C@H](C)c2ccncc2F)c([N+](=O)[O-])s1)c1ccncc1F ZINC000509448244 918102257 /nfs/dbraw/zinc/10/22/57/918102257.db2.gz MKXYRKBSGHRUME-NXEZZACHSA-N 0 0 406.418 4.466 20 5 HIBDRN CC[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccc2c(c1)OCCO2 ZINC000509484107 918129755 /nfs/dbraw/zinc/12/97/55/918129755.db2.gz OESLBTWMUNVCAR-IBGZPJMESA-N 0 0 413.474 4.437 20 5 HIBDRN C[C@@H]1c2cccc(Br)c2CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000509507594 918153768 /nfs/dbraw/zinc/15/37/68/918153768.db2.gz MASJFKQFEDLWER-GFCCVEGCSA-N 0 0 419.275 4.343 20 5 HIBDRN COc1ccc(-c2ccc(C)c(NCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cn1 ZINC000509510979 918157329 /nfs/dbraw/zinc/15/73/29/918157329.db2.gz ZDBVHNDUVCUIKI-UHFFFAOYSA-N 0 0 406.442 4.333 20 5 HIBDRN CNC(=O)c1ccc(N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC000509527156 918175378 /nfs/dbraw/zinc/17/53/78/918175378.db2.gz NDKKUKHZVWRNPX-GOSISDBHSA-N 0 0 411.355 4.048 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000509575688 918224663 /nfs/dbraw/zinc/22/46/63/918224663.db2.gz XQIRYQWKESJYOV-UHFFFAOYSA-N 0 0 404.419 4.339 20 5 HIBDRN CN(CCc1cccc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000509664240 918296351 /nfs/dbraw/zinc/29/63/51/918296351.db2.gz IOWUGJKVGNTELE-UHFFFAOYSA-N 0 0 404.875 4.265 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000509762842 918377652 /nfs/dbraw/zinc/37/76/52/918377652.db2.gz RJVFPCGSBHYNJX-UHFFFAOYSA-N 0 0 413.499 4.261 20 5 HIBDRN COc1cc(C(=O)Nc2c(-c3cccs3)nc3ccccn32)c([N+](=O)[O-])cc1OC ZINC000509808037 918413209 /nfs/dbraw/zinc/41/32/09/918413209.db2.gz NVWFPFNSEKAZAP-UHFFFAOYSA-N 0 0 424.438 4.241 20 5 HIBDRN Cc1ccc(Cl)cc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000509834410 918435747 /nfs/dbraw/zinc/43/57/47/918435747.db2.gz JJEONWKQRMEDMC-QGZVFWFLSA-N 0 0 404.850 4.369 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000509848532 918451758 /nfs/dbraw/zinc/45/17/58/918451758.db2.gz HZGGKXVWMFYADS-KRWDZBQOSA-N 0 0 421.501 4.344 20 5 HIBDRN CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000509885977 918487399 /nfs/dbraw/zinc/48/73/99/918487399.db2.gz SQRVELMQKDWKKO-LBPRGKRZSA-N 0 0 416.259 4.240 20 5 HIBDRN C[C@@H]1c2cccc(Br)c2CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000509931673 918530273 /nfs/dbraw/zinc/53/02/73/918530273.db2.gz VKVQZCFDMGMQKA-CYBMUJFWSA-N 0 0 403.276 4.436 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000509944246 918539632 /nfs/dbraw/zinc/53/96/32/918539632.db2.gz YEHONKOELLXWPS-WBVHZDCISA-N 0 0 424.423 4.270 20 5 HIBDRN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000509973541 918563107 /nfs/dbraw/zinc/56/31/07/918563107.db2.gz QRGJNVCHSLTRHK-GFCCVEGCSA-N 0 0 405.248 4.104 20 5 HIBDRN COc1ccc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC(F)F ZINC000510072099 918640505 /nfs/dbraw/zinc/64/05/05/918640505.db2.gz NQPKHXUGZSWHSA-UHFFFAOYSA-N 0 0 415.780 4.222 20 5 HIBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccsc2)c([N+](=O)[O-])c1 ZINC000510095278 918660193 /nfs/dbraw/zinc/66/01/93/918660193.db2.gz JSDOZRFXBSGHEU-UHFFFAOYSA-N 0 0 417.512 4.484 20 5 HIBDRN O=C(NCCC1=CCCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000510179749 918729350 /nfs/dbraw/zinc/72/93/50/918729350.db2.gz CCTRTVPDPHQYSJ-UHFFFAOYSA-N 0 0 411.424 4.447 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000510185088 918735571 /nfs/dbraw/zinc/73/55/71/918735571.db2.gz MBOUQGICOSLJBE-DNVCBOLYSA-N 0 0 413.474 4.024 20 5 HIBDRN CC[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OC)c(OC)c1 ZINC000510189531 918738566 /nfs/dbraw/zinc/73/85/66/918738566.db2.gz AJPYXJUSBSYXSU-SUMWQHHRSA-N 0 0 412.446 4.464 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1OCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000510197437 918746069 /nfs/dbraw/zinc/74/60/69/918746069.db2.gz JUDVJRLQAZJKII-QFIPXVFZSA-N 0 0 402.450 4.456 20 5 HIBDRN CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000510227533 918770494 /nfs/dbraw/zinc/77/04/94/918770494.db2.gz JFCQOWQGGXCUTN-LLVKDONJSA-N 0 0 407.879 4.176 20 5 HIBDRN O=C(NCC1(O)CCCC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000510283094 918806032 /nfs/dbraw/zinc/80/60/32/918806032.db2.gz UNUMORHFYNOUKB-UHFFFAOYSA-N 0 0 406.891 4.434 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000510418422 918886153 /nfs/dbraw/zinc/88/61/53/918886153.db2.gz WKJJTIPQXYDZNZ-KDOFPFPSSA-N 0 0 404.430 4.003 20 5 HIBDRN Cc1c(Br)cc(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)cc1[N+](=O)[O-] ZINC000510441044 918897722 /nfs/dbraw/zinc/89/77/22/918897722.db2.gz GHKJVERRJLAJSF-CQSZACIVSA-N 0 0 423.267 4.053 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCCN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000510443578 918899547 /nfs/dbraw/zinc/89/95/47/918899547.db2.gz MIRLVSFUUQJIOP-HNNXBMFYSA-N 0 0 406.307 4.468 20 5 HIBDRN Cc1c(Br)cc(C(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000510457353 918912126 /nfs/dbraw/zinc/91/21/26/918912126.db2.gz DLXGADBWMOTEPV-KPZWWZAWSA-N 0 0 419.275 4.130 20 5 HIBDRN CCOC(=O)c1ccccc1N(C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000510547867 918992707 /nfs/dbraw/zinc/99/27/07/918992707.db2.gz JSQTUUBLIBCSLG-UHFFFAOYSA-N 0 0 421.247 4.119 20 5 HIBDRN COc1ccc(C2(CNC(=O)c3csc([N+](=O)[O-])c3)CCCCC2)cc1OC ZINC000510556581 919000480 /nfs/dbraw/zinc/00/04/80/919000480.db2.gz YNSMMSYPFODIOA-UHFFFAOYSA-N 0 0 404.488 4.305 20 5 HIBDRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000510621113 919062048 /nfs/dbraw/zinc/06/20/48/919062048.db2.gz ABDREKCUQDAALM-QGZVFWFLSA-N 0 0 419.913 4.458 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2cccc(-c3nccn3C)c2)cc1[N+](=O)[O-] ZINC000510635730 919077215 /nfs/dbraw/zinc/07/72/15/919077215.db2.gz VORRWGDWVZAWFX-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000510709803 919149327 /nfs/dbraw/zinc/14/93/27/919149327.db2.gz RFPHCEXNLVOCAM-OAHLLOKOSA-N 0 0 408.376 4.165 20 5 HIBDRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000510764152 919220230 /nfs/dbraw/zinc/22/02/30/919220230.db2.gz GOAYYGMRUPJSGC-UHFFFAOYSA-N 0 0 412.467 4.386 20 5 HIBDRN CN(CCOc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510826333 919306746 /nfs/dbraw/zinc/30/67/46/919306746.db2.gz RQFNRCUOIIALKC-UHFFFAOYSA-N 0 0 415.780 4.392 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000510831831 919310511 /nfs/dbraw/zinc/31/05/11/919310511.db2.gz GKBRQVKQFZZJAO-SFHVURJKSA-N 0 0 411.355 4.394 20 5 HIBDRN COc1cc(O)cc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000510906790 919408507 /nfs/dbraw/zinc/40/85/07/919408507.db2.gz PUCNKVHKVQYCAG-CYBMUJFWSA-N 0 0 408.414 4.129 20 5 HIBDRN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000510998438 919558141 /nfs/dbraw/zinc/55/81/41/919558141.db2.gz KSROCMBRUDGXPA-LBPRGKRZSA-N 0 0 424.379 4.315 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000511030323 919609300 /nfs/dbraw/zinc/60/93/00/919609300.db2.gz QYMSRTJCEGDKJM-OAQYLSRUSA-N 0 0 409.417 4.212 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511097491 919701109 /nfs/dbraw/zinc/70/11/09/919701109.db2.gz VSSAGXFZFOBUAA-AWEZNQCLSA-N 0 0 405.882 4.067 20 5 HIBDRN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1 ZINC000511140802 919759909 /nfs/dbraw/zinc/75/99/09/919759909.db2.gz YYCNGIYIARJTRF-LBPRGKRZSA-N 0 0 424.238 4.123 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)ccc1OCC(C)C ZINC000511208276 919819570 /nfs/dbraw/zinc/81/95/70/919819570.db2.gz UBKVUDVPWOGBBV-AWEZNQCLSA-N 0 0 402.447 4.138 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(-c2ccsc2)no1 ZINC000511242758 919844183 /nfs/dbraw/zinc/84/41/83/919844183.db2.gz UHIJFZFAAUNTDL-UHFFFAOYSA-N 0 0 413.196 4.286 20 5 HIBDRN COc1ccccc1SC[C@@H](C)CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511423787 920038478 /nfs/dbraw/zinc/03/84/78/920038478.db2.gz YOVVRUXMUYWSQA-INIZCTEOSA-N 0 0 417.531 4.216 20 5 HIBDRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511437307 920047630 /nfs/dbraw/zinc/04/76/30/920047630.db2.gz FIYUHUMGLWTROT-LIRRHRJNSA-N 0 0 405.882 4.208 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)n2)cc1F ZINC000511439073 920048148 /nfs/dbraw/zinc/04/81/48/920048148.db2.gz LAFSATXRXNQNEI-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN CCCOc1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1Cl ZINC000511447874 920056884 /nfs/dbraw/zinc/05/68/84/920056884.db2.gz YTXYOYBPMFJBOV-UHFFFAOYSA-N 0 0 418.881 4.391 20 5 HIBDRN Cc1ccc(C(=O)N2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)s1 ZINC000511486808 920094855 /nfs/dbraw/zinc/09/48/55/920094855.db2.gz IFOWKYGVIOSNKC-UHFFFAOYSA-N 0 0 411.483 4.183 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000511530972 920151652 /nfs/dbraw/zinc/15/16/52/920151652.db2.gz GZRRVYKMRBSICR-LLVKDONJSA-N 0 0 410.257 4.368 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc2c(cccc2Cl)n1CC(F)(F)F ZINC000511541548 920165212 /nfs/dbraw/zinc/16/52/12/920165212.db2.gz PKKXWISCITUPQW-UHFFFAOYSA-N 0 0 412.755 4.341 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000511606256 920254859 /nfs/dbraw/zinc/25/48/59/920254859.db2.gz ZBPNJAMJTGQFOK-UHFFFAOYSA-N 0 0 415.789 4.354 20 5 HIBDRN CCOc1cc(Br)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000511606830 920255297 /nfs/dbraw/zinc/25/52/97/920255297.db2.gz YCCKWYOHGSTVNU-UHFFFAOYSA-N 0 0 423.263 4.336 20 5 HIBDRN COc1cc(C(=O)NCC2(c3ccc(Br)cc3)CCC2)ccc1[N+](=O)[O-] ZINC000511620014 920276577 /nfs/dbraw/zinc/27/65/77/920276577.db2.gz IBYFMVQGTUGAEH-UHFFFAOYSA-N 0 0 419.275 4.218 20 5 HIBDRN CN(Cc1nc(-c2ccc(Br)s2)no1)Cc1ccccc1[N+](=O)[O-] ZINC000511639758 920302325 /nfs/dbraw/zinc/30/23/25/920302325.db2.gz MXQUINAXTUKXKR-UHFFFAOYSA-N 0 0 409.265 4.101 20 5 HIBDRN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000511839242 920548878 /nfs/dbraw/zinc/54/88/78/920548878.db2.gz UTBCUOKKFUGOSG-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN CCn1c(SCc2cc(C(=O)OC)ccc2F)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000511879735 920613147 /nfs/dbraw/zinc/61/31/47/920613147.db2.gz MOPLHSGPNUCQIK-UHFFFAOYSA-N 0 0 416.434 4.091 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(Br)c3cccnc23)cc1[N+](=O)[O-] ZINC000511934769 920685232 /nfs/dbraw/zinc/68/52/32/920685232.db2.gz MJKIPODASMAMAX-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000511961336 920724718 /nfs/dbraw/zinc/72/47/18/920724718.db2.gz RBMHTYDXSMOTFA-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN Cc1cc(C(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)cc([N+](=O)[O-])c1 ZINC000511969808 920738207 /nfs/dbraw/zinc/73/82/07/920738207.db2.gz DIENCMGQANXSJS-UHFFFAOYSA-N 0 0 422.441 4.073 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(CN2CCCC2=O)c1 ZINC000512008433 920779555 /nfs/dbraw/zinc/77/95/55/920779555.db2.gz PXVBVVLQOCNAGC-UHFFFAOYSA-N 0 0 422.466 4.093 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000512026904 920801210 /nfs/dbraw/zinc/80/12/10/920801210.db2.gz VDNHQDGVOIQXGV-QGZVFWFLSA-N 0 0 419.890 4.019 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000512109018 920865757 /nfs/dbraw/zinc/86/57/57/920865757.db2.gz XUWUTNPZZKNCAC-WMZOPIPTSA-N 0 0 407.392 4.354 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000512109016 920865808 /nfs/dbraw/zinc/86/58/08/920865808.db2.gz XUWUTNPZZKNCAC-SJLPKXTDSA-N 0 0 407.392 4.354 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(COCCOc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000512192006 920935290 /nfs/dbraw/zinc/93/52/90/920935290.db2.gz BONIEFCBBIHMHZ-UHFFFAOYSA-N 0 0 422.437 4.451 20 5 HIBDRN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Br ZINC000512204345 920949726 /nfs/dbraw/zinc/94/97/26/920949726.db2.gz OQVQNHZHPRKFSM-UGSOOPFHSA-N 0 0 419.275 4.255 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN[C@H](CCO)c3ccc(Cl)c(Cl)c3)n2)c1 ZINC000512211096 920956180 /nfs/dbraw/zinc/95/61/80/920956180.db2.gz FZKVMRPFUOIJQA-MRXNPFEDSA-N 0 0 423.256 4.165 20 5 HIBDRN COc1ccc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)c([N+](=O)[O-])c1 ZINC000512210265 920956216 /nfs/dbraw/zinc/95/62/16/920956216.db2.gz UAQILVJIPLCNPO-UHFFFAOYSA-N 0 0 418.247 4.337 20 5 HIBDRN O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000512219109 920969540 /nfs/dbraw/zinc/96/95/40/920969540.db2.gz XVWMAXIYABTDRD-NQIIRXRSSA-N 0 0 423.513 4.095 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000512232788 920985389 /nfs/dbraw/zinc/98/53/89/920985389.db2.gz BYTNEDIISFTENL-MAUKXSAKSA-N 0 0 418.877 4.301 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3ccn(-c4ccccc4)n3)n2)cc1[N+](=O)[O-] ZINC000512232346 920985914 /nfs/dbraw/zinc/98/59/14/920985914.db2.gz BHAMTJHKDOGHNG-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000512338418 921084370 /nfs/dbraw/zinc/08/43/70/921084370.db2.gz MEYLAACUUHKAND-BBRMVZONSA-N 0 0 419.503 4.338 20 5 HIBDRN COc1cc2c(cc1F)CC[C@H]2NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000512348908 921094287 /nfs/dbraw/zinc/09/42/87/921094287.db2.gz RAYNSIMTJCSQAZ-HXUWFJFHSA-N 0 0 416.452 4.106 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000512363039 921104679 /nfs/dbraw/zinc/10/46/79/921104679.db2.gz OHIBJPPJYTTXFV-GOSISDBHSA-N 0 0 412.339 4.333 20 5 HIBDRN Cc1nc2ccccc2c2c(NC(=O)c3cccc(OCC(N)=O)c3)c3ccccc3n21 ZINC000513471046 921831388 /nfs/dbraw/zinc/83/13/88/921831388.db2.gz YQHSOFUISNLCJP-UHFFFAOYSA-N 0 0 424.460 4.066 20 5 HIBDRN CC(C)(C(=O)N1CCOc2ccc(Br)cc2C1)c1ccccc1[N+](=O)[O-] ZINC000513485334 921839776 /nfs/dbraw/zinc/83/97/76/921839776.db2.gz QFQCOWHQARKWIY-UHFFFAOYSA-N 0 0 419.275 4.056 20 5 HIBDRN Cc1ccc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1[N+](=O)[O-] ZINC000513555606 921891805 /nfs/dbraw/zinc/89/18/05/921891805.db2.gz XVRFYEVKPWRRQB-UHFFFAOYSA-N 0 0 406.360 4.056 20 5 HIBDRN Cc1cc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC000513565434 921898607 /nfs/dbraw/zinc/89/86/07/921898607.db2.gz HNIXHKJPTGZDPV-UHFFFAOYSA-N 0 0 406.360 4.056 20 5 HIBDRN CC(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 ZINC000513603689 921935307 /nfs/dbraw/zinc/93/53/07/921935307.db2.gz BHVGYSDJAMCHGN-GOSISDBHSA-N 0 0 416.499 4.099 20 5 HIBDRN O=C(Nc1ccc(Sc2nncs2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513657218 921978342 /nfs/dbraw/zinc/97/83/42/921978342.db2.gz CTZVZMFADWNDFI-UHFFFAOYSA-N 0 0 424.410 4.451 20 5 HIBDRN Cn1ccnc1[C@@H](NCCOc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000513672524 921995829 /nfs/dbraw/zinc/99/58/29/921995829.db2.gz LETGCTJAMSVTRZ-SFHVURJKSA-N 0 0 420.391 4.105 20 5 HIBDRN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513674997 921997134 /nfs/dbraw/zinc/99/71/34/921997134.db2.gz MZLDRLIZUAZAPF-UHFFFAOYSA-N 0 0 422.775 4.347 20 5 HIBDRN O=C(NCc1cc(F)ccc1Br)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513675005 921997274 /nfs/dbraw/zinc/99/72/74/921997274.db2.gz NBDUCAPXTATEMA-UHFFFAOYSA-N 0 0 419.153 4.028 20 5 HIBDRN Cc1ccc(OC(F)F)c(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000513678483 921999858 /nfs/dbraw/zinc/99/98/58/921999858.db2.gz NYGCCXOGCGDNCI-GOSISDBHSA-N 0 0 402.401 4.117 20 5 HIBDRN CC(C)[C@H]1C[C@@H](CC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCO1 ZINC000513693891 922015669 /nfs/dbraw/zinc/01/56/69/922015669.db2.gz KILGMJHHMAURAH-WMLDXEAASA-N 0 0 402.413 4.327 20 5 HIBDRN Cn1ccnc1[C@@H](NCCOc1ccccc1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000513701994 922023379 /nfs/dbraw/zinc/02/33/79/922023379.db2.gz CGUIBMQTBJKMDH-NRFANRHFSA-N 0 0 408.502 4.384 20 5 HIBDRN Cn1ccnc1[C@H](NCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000513716798 922036559 /nfs/dbraw/zinc/03/65/59/922036559.db2.gz JCQOEMJLTPRUPS-LJQANCHMSA-N 0 0 405.483 4.331 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1csc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000513716986 922038239 /nfs/dbraw/zinc/03/82/39/922038239.db2.gz KQGKVZATSXNRQP-IBGZPJMESA-N 0 0 405.483 4.331 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000513717295 922038380 /nfs/dbraw/zinc/03/83/80/922038380.db2.gz NXTWWHZFNIEZQC-KRWDZBQOSA-N 0 0 419.254 4.109 20 5 HIBDRN COc1ccc2cc(CNC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)ccc2c1 ZINC000513720521 922040726 /nfs/dbraw/zinc/04/07/26/922040726.db2.gz LQLBFNQPKUKLOH-UHFFFAOYSA-N 0 0 402.353 4.288 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513724095 922044725 /nfs/dbraw/zinc/04/47/25/922044725.db2.gz IULDBIYWBIMFPP-UHFFFAOYSA-N 0 0 414.748 4.263 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000513751286 922070925 /nfs/dbraw/zinc/07/09/25/922070925.db2.gz ANMHRXMEAQIAGE-UHFFFAOYSA-N 0 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Cc1c([C@@H](C)NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000519071811 927748194 /nfs/dbraw/zinc/74/81/94/927748194.db2.gz FRTPBGKKTLBAMV-CYBMUJFWSA-N 0 0 423.448 4.293 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000519092795 927765348 /nfs/dbraw/zinc/76/53/48/927765348.db2.gz HOHZTOGUYFLFSP-QGZVFWFLSA-N 0 0 422.268 4.453 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(Br)cc1Cl ZINC000519097591 927766899 /nfs/dbraw/zinc/76/68/99/927766899.db2.gz CUBPNPNNIKQRJD-UHFFFAOYSA-N 0 0 415.696 4.419 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccco1)Cc1cccs1 ZINC000519110269 927778572 /nfs/dbraw/zinc/77/85/72/927778572.db2.gz KURTZVQBZUDMPV-UHFFFAOYSA-N 0 0 408.439 4.278 20 5 HIBDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000519122150 927788402 /nfs/dbraw/zinc/78/84/02/927788402.db2.gz CDEPNOHTIYICHQ-NSHDSACASA-N 0 0 403.232 4.465 20 5 HIBDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000519151515 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ZGKWJDUIHRVIRA-UHFFFAOYSA-N 0 0 416.430 4.138 20 5 HIBDRN COc1ccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C(F)(F)F)c1 ZINC000519732045 928063097 /nfs/dbraw/zinc/06/30/97/928063097.db2.gz WPZAJVFIOONZAK-UHFFFAOYSA-N 0 0 422.363 4.468 20 5 HIBDRN O=C(CNc1cc(Br)cc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1F ZINC000519759146 928067362 /nfs/dbraw/zinc/06/73/62/928067362.db2.gz OPNAETBNJAFYGF-UHFFFAOYSA-N 0 0 402.607 4.200 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000519771251 928069361 /nfs/dbraw/zinc/06/93/61/928069361.db2.gz RHJBRIBFRLRXIU-CYBMUJFWSA-N 0 0 424.423 4.031 20 5 HIBDRN COc1cc(C(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2OC)c([N+](=O)[O-])cc1OC ZINC000519844786 928091841 /nfs/dbraw/zinc/09/18/41/928091841.db2.gz GROYWXRJHQMVGT-WMLDXEAASA-N 0 0 414.458 4.234 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@@H](C)c2ccc(Oc3cccnc3)cc2)c1[N+](=O)[O-] ZINC000519846808 928093868 /nfs/dbraw/zinc/09/38/68/928093868.db2.gz YLKKTYYKHMRWJA-AWEZNQCLSA-N 0 0 408.414 4.445 20 5 HIBDRN CCCN(Cc1c(F)cccc1Cl)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000519891328 928125423 /nfs/dbraw/zinc/12/54/23/928125423.db2.gz SZXMWYGECXHDDG-UHFFFAOYSA-N 0 0 404.822 4.127 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cn3ccsc3n2)cc1 ZINC000519963692 928193521 /nfs/dbraw/zinc/19/35/21/928193521.db2.gz RWIHASLEBXIEPE-UHFFFAOYSA-N 0 0 424.438 4.035 20 5 HIBDRN COc1cc(OCC(=O)N(Cc2cccc(F)c2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000519973716 928200987 /nfs/dbraw/zinc/20/09/87/928200987.db2.gz ZHPVGEOHRKVZGY-UHFFFAOYSA-N 0 0 402.422 4.093 20 5 HIBDRN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000519993151 928220181 /nfs/dbraw/zinc/22/01/81/928220181.db2.gz RNVJSNYSHCFLCP-OAQYLSRUSA-N 0 0 424.428 4.465 20 5 HIBDRN O=C(NCCOc1ccccc1-c1ccccc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000519996904 928224477 /nfs/dbraw/zinc/22/44/77/928224477.db2.gz ILWHSODHMSEIIG-UHFFFAOYSA-N 0 0 405.454 4.183 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Br)c(F)c1 ZINC000520012262 928236152 /nfs/dbraw/zinc/23/61/52/928236152.db2.gz SZFZGLHAEYVFPI-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@H]2CCCOc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000520064582 928290333 /nfs/dbraw/zinc/29/03/33/928290333.db2.gz QHEYYALMZXLRMS-INIZCTEOSA-N 0 0 410.405 4.024 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000520155737 928348198 /nfs/dbraw/zinc/34/81/98/928348198.db2.gz VLCSXTJQNQPWQM-QGZVFWFLSA-N 0 0 408.451 4.049 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000520155928 928348757 /nfs/dbraw/zinc/34/87/57/928348757.db2.gz GAAFUGQJUOAOAY-SFHVURJKSA-N 0 0 400.431 4.413 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000520156384 928348788 /nfs/dbraw/zinc/34/87/88/928348788.db2.gz HAJZUQKVHUSLIT-LLVKDONJSA-N 0 0 418.393 4.004 20 5 HIBDRN CCn1nc(C)c(CNCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c1C ZINC000520218496 928396086 /nfs/dbraw/zinc/39/60/86/928396086.db2.gz GBXSJXDJUOSMEB-UHFFFAOYSA-N 0 0 424.501 4.305 20 5 HIBDRN C[C@@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000520226812 928400526 /nfs/dbraw/zinc/40/05/26/928400526.db2.gz RWQAEFVKKGVCMQ-CYBMUJFWSA-N 0 0 405.907 4.176 20 5 HIBDRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)n2)cc1 ZINC000520227866 928402001 /nfs/dbraw/zinc/40/20/01/928402001.db2.gz DTPNNVQPDYECGH-UHFFFAOYSA-N 0 0 400.391 4.068 20 5 HIBDRN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000520310811 928471929 /nfs/dbraw/zinc/47/19/29/928471929.db2.gz KKISUZOOLPYMOJ-UHFFFAOYSA-N 0 0 405.332 4.140 20 5 HIBDRN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2Nc2cnn(Cc3ccc(Cl)cc3)c2)n1 ZINC000520332954 928497976 /nfs/dbraw/zinc/49/79/76/928497976.db2.gz RPNMRMOMYOVDGY-ZWKOTPCHSA-N 0 0 400.870 4.285 20 5 HIBDRN CSc1ccc(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000520345653 928507942 /nfs/dbraw/zinc/50/79/42/928507942.db2.gz KZGYDKJNJRIXOO-KGLIPLIRSA-N 0 0 407.289 4.365 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000520377338 928531246 /nfs/dbraw/zinc/53/12/46/928531246.db2.gz ZHOWQAKAODBVRQ-OLZOCXBDSA-N 0 0 422.865 4.300 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCc3c2cccc3O)cc1[N+](=O)[O-])c1ccccn1 ZINC000520396543 928545819 /nfs/dbraw/zinc/54/58/19/928545819.db2.gz WOXKGGFGYDOFHW-AUUYWEPGSA-N 0 0 418.453 4.286 20 5 HIBDRN Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520478317 928590620 /nfs/dbraw/zinc/59/06/20/928590620.db2.gz PBLXEZNZFWZUPU-UHFFFAOYSA-N 0 0 410.386 4.058 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccncc2)cc1 ZINC000520533518 928625561 /nfs/dbraw/zinc/62/55/61/928625561.db2.gz UUNQRLOBJFNDFD-UHFFFAOYSA-N 0 0 406.442 4.400 20 5 HIBDRN COc1cc(OCC(=O)Nc2nc(-c3c(F)cccc3F)cs2)ccc1[N+](=O)[O-] ZINC000520589487 928658018 /nfs/dbraw/zinc/65/80/18/928658018.db2.gz NLVFWQMQXYPNLZ-UHFFFAOYSA-N 0 0 421.381 4.023 20 5 HIBDRN O=C(NCCc1cc(Cl)cc(Cl)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000520615558 928674662 /nfs/dbraw/zinc/67/46/62/928674662.db2.gz DPILXDYDYBYIJH-UHFFFAOYSA-N 0 0 405.241 4.060 20 5 HIBDRN COc1ccc(CC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000520716604 928764358 /nfs/dbraw/zinc/76/43/58/928764358.db2.gz QJLDQCZWFICHQW-UONOGXRCSA-N 0 0 406.866 4.162 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000520768607 928807534 /nfs/dbraw/zinc/80/75/34/928807534.db2.gz JSCAFGXEZOPCSC-UHFFFAOYSA-N 0 0 415.493 4.451 20 5 HIBDRN CC1(CNC(=O)c2ccc(C(=O)NCC3(C)CCCC3)c([N+](=O)[O-])c2)CCCC1 ZINC000520884706 928858593 /nfs/dbraw/zinc/85/85/93/928858593.db2.gz GDQXBSCBILACGM-UHFFFAOYSA-N 0 0 401.507 4.215 20 5 HIBDRN CSc1ccc(-c2nc([C@H](NC(=O)c3ccccc3)C3CC3)no2)cc1[N+](=O)[O-] ZINC000520890960 928862097 /nfs/dbraw/zinc/86/20/97/928862097.db2.gz FSDSYZDRUYEVGW-QGZVFWFLSA-N 0 0 410.455 4.248 20 5 HIBDRN O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520973068 928897188 /nfs/dbraw/zinc/89/71/88/928897188.db2.gz FJVQNAMITILCHH-UHFFFAOYSA-N 0 0 401.297 4.495 20 5 HIBDRN COc1cc(F)cc2sc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)nc21 ZINC000521017964 928934914 /nfs/dbraw/zinc/93/49/14/928934914.db2.gz KNVVWOVIHYHHIU-UHFFFAOYSA-N 0 0 404.423 4.183 20 5 HIBDRN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000521065688 928970480 /nfs/dbraw/zinc/97/04/80/928970480.db2.gz BVEOAEVHFHATJE-UHFFFAOYSA-N 0 0 414.849 4.462 20 5 HIBDRN CCOc1ccc(C(=O)Nc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1[N+](=O)[O-] ZINC000521076245 928976353 /nfs/dbraw/zinc/97/63/53/928976353.db2.gz BKEDNKSQQGZIEB-UHFFFAOYSA-N 0 0 409.446 4.328 20 5 HIBDRN CCc1n[nH]c(C(=O)N(C)CCCCCc2cc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000521089026 928985407 /nfs/dbraw/zinc/98/54/07/928985407.db2.gz SLRLINCJKBMUNU-UHFFFAOYSA-N 0 0 411.462 4.020 20 5 HIBDRN O=C(c1cc(NCc2csc(Br)c2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000521102395 928995272 /nfs/dbraw/zinc/99/52/72/928995272.db2.gz CFMVLQAIUIMBQU-UHFFFAOYSA-N 0 0 410.293 4.267 20 5 HIBDRN CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000521155872 929030204 /nfs/dbraw/zinc/03/02/04/929030204.db2.gz OOIUJAGDOQTLPY-UHFFFAOYSA-N 0 0 407.250 4.252 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N(CC[NH+](C)C)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000521182662 929047930 /nfs/dbraw/zinc/04/79/30/929047930.db2.gz VQMGPHLWCLLUTP-GOSISDBHSA-N 0 0 410.518 4.040 20 5 HIBDRN COc1ccccc1-c1csc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000521379804 929197263 /nfs/dbraw/zinc/19/72/63/929197263.db2.gz WAJRWFXULWCUIZ-UHFFFAOYSA-N 0 0 421.438 4.165 20 5 HIBDRN C[C@@H](c1ccccc1)n1cnnc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000521382957 929199729 /nfs/dbraw/zinc/19/97/29/929199729.db2.gz WKMXYDBEWHOSDI-ZDUSSCGKSA-N 0 0 408.443 4.138 20 5 HIBDRN COc1c(Br)cc(Cl)cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000521534971 929280656 /nfs/dbraw/zinc/28/06/56/929280656.db2.gz UIQKWXMBEKQVKP-UHFFFAOYSA-N 0 0 414.643 4.070 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000521626473 929334356 /nfs/dbraw/zinc/33/43/56/929334356.db2.gz RVMIJBGBWFVISF-UHFFFAOYSA-N 0 0 407.879 4.497 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cccc2cccnc21 ZINC000521666730 929356154 /nfs/dbraw/zinc/35/61/54/929356154.db2.gz ZKGWFRCAYOFNKZ-UHFFFAOYSA-N 0 0 418.375 4.280 20 5 HIBDRN Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000521688621 929367959 /nfs/dbraw/zinc/36/79/59/929367959.db2.gz YOSVAEDMVXNELO-UHFFFAOYSA-N 0 0 416.441 4.214 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000521732622 929395156 /nfs/dbraw/zinc/39/51/56/929395156.db2.gz UCYIUVWOWAYPPU-UHFFFAOYSA-N 0 0 409.352 4.102 20 5 HIBDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000521771823 929433804 /nfs/dbraw/zinc/43/38/04/929433804.db2.gz FJTUXRCSRIZYGF-SNVBAGLBSA-N 0 0 406.357 4.134 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000521774132 929436603 /nfs/dbraw/zinc/43/66/03/929436603.db2.gz 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/nfs/dbraw/zinc/08/04/63/932080463.db2.gz BYGATNSXPXFSAR-RPVQJOFSSA-N 0 0 415.519 4.144 20 5 HIBDRN Cc1nnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1[C@H]1CCC[C@@H](C)C1 ZINC000533887853 932081731 /nfs/dbraw/zinc/08/17/31/932081731.db2.gz IDACBJSCKACTLV-IOASZLSFSA-N 0 0 403.508 4.365 20 5 HIBDRN O=C(Nc1ccccc1)c1ccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000533983216 932159394 /nfs/dbraw/zinc/15/93/94/932159394.db2.gz IWVMETNMJQIQQO-UHFFFAOYSA-N 0 0 401.422 4.046 20 5 HIBDRN COc1ccc(C[C@H](C)CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000533995100 932173452 /nfs/dbraw/zinc/17/34/52/932173452.db2.gz BISUSLABLBQXMI-SFHVURJKSA-N 0 0 414.505 4.158 20 5 HIBDRN CN(C(=O)c1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1)c1ccccc1 ZINC000534010319 932192269 /nfs/dbraw/zinc/19/22/69/932192269.db2.gz MALCEPHDUHIGBJ-UHFFFAOYSA-N 0 0 415.409 4.000 20 5 HIBDRN O=C(CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(c2ccccc2)=N1 ZINC000534059033 932238298 /nfs/dbraw/zinc/23/82/98/932238298.db2.gz JPJBDTTYRPEDSX-UHFFFAOYSA-N 0 0 422.466 4.120 20 5 HIBDRN CC(C)Oc1ccccc1C[S@@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534061231 932240345 /nfs/dbraw/zinc/24/03/45/932240345.db2.gz YMQZHPIVBAUGTB-MUUNZHRXSA-N 0 0 400.456 4.486 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)c3cccc4ncccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000534107336 932282131 /nfs/dbraw/zinc/28/21/31/932282131.db2.gz AMSPKVPDIBNFIY-UHFFFAOYSA-N 0 0 415.453 4.281 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000534129285 932294731 /nfs/dbraw/zinc/29/47/31/932294731.db2.gz MWHBRYXQLHRLGJ-SJLPKXTDSA-N 0 0 405.907 4.145 20 5 HIBDRN O=C(Cn1cnc(-c2ccccc2)n1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000534150903 932303800 /nfs/dbraw/zinc/30/38/00/932303800.db2.gz KFMULUUGISTMOW-UHFFFAOYSA-N 0 0 415.409 4.284 20 5 HIBDRN COc1ccc(-c2nnc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000534235990 932356572 /nfs/dbraw/zinc/35/65/72/932356572.db2.gz KKFSBXMUXSVUKL-NSHDSACASA-N 0 0 416.484 4.241 20 5 HIBDRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000534252822 932366105 /nfs/dbraw/zinc/36/61/05/932366105.db2.gz XVRAADMKFPKBJB-IBGZPJMESA-N 0 0 402.838 4.102 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3c(OC(F)F)ccc4ccccc43)CC2)cn1 ZINC000534336830 932385563 /nfs/dbraw/zinc/38/55/63/932385563.db2.gz HTGMNBLXTKNGLZ-UHFFFAOYSA-N 0 0 414.412 4.067 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cnc(-c2ccccc2)s1 ZINC000534340982 932386440 /nfs/dbraw/zinc/38/64/40/932386440.db2.gz QZONNIKMMZBDPY-UHFFFAOYSA-N 0 0 406.423 4.284 20 5 HIBDRN CN1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534394676 932420106 /nfs/dbraw/zinc/42/01/06/932420106.db2.gz VFWOXKOVUQLCRR-KXBFYZLASA-N 0 0 416.840 4.044 20 5 HIBDRN Cn1ccnc1[C@@H]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000534407318 932428980 /nfs/dbraw/zinc/42/89/80/932428980.db2.gz XKNOXYTTZYNZMS-MRXNPFEDSA-N 0 0 408.483 4.109 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000534436840 932449731 /nfs/dbraw/zinc/44/97/31/932449731.db2.gz PPMSLDBNAPGLRL-MRXNPFEDSA-N 0 0 402.520 4.096 20 5 HIBDRN CCOc1ccc(Cl)cc1CCNC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000534481443 932518266 /nfs/dbraw/zinc/51/82/66/932518266.db2.gz IMHCCRAUBADNCV-UHFFFAOYSA-N 0 0 422.865 4.027 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c2cccs2)cc1 ZINC000534512584 932539462 /nfs/dbraw/zinc/53/94/62/932539462.db2.gz CQEXTHVWCIHDIF-HSZRJFAPSA-N 0 0 421.522 4.229 20 5 HIBDRN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534570281 932573111 /nfs/dbraw/zinc/57/31/11/932573111.db2.gz SBFWBBZFSQSMGB-UHFFFAOYSA-N 0 0 422.485 4.201 20 5 HIBDRN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000534707604 932678759 /nfs/dbraw/zinc/67/87/59/932678759.db2.gz USIXTCAEFWXCPE-UHFFFAOYSA-N 0 0 411.162 4.424 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000534715644 932684140 /nfs/dbraw/zinc/68/41/40/932684140.db2.gz RWJXDLPEZAOZBR-SFHVURJKSA-N 0 0 413.865 4.214 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)C1CC1 ZINC000534723270 932692139 /nfs/dbraw/zinc/69/21/39/932692139.db2.gz SZBRAPJBCYYUIO-UHFFFAOYSA-N 0 0 418.291 4.274 20 5 HIBDRN Cc1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1OCC1CCOCC1 ZINC000534732868 932701058 /nfs/dbraw/zinc/70/10/58/932701058.db2.gz YQZVOSMVAGNJJV-UHFFFAOYSA-N 0 0 413.474 4.073 20 5 HIBDRN C[C@H](Oc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cn1)c1ccccc1 ZINC000534745694 932717434 /nfs/dbraw/zinc/71/74/34/932717434.db2.gz XSJCVPFMPCMSHO-ZDUSSCGKSA-N 0 0 403.398 4.258 20 5 HIBDRN C[C@@H](Oc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cn1)c1ccccc1 ZINC000534745693 932717844 /nfs/dbraw/zinc/71/78/44/932717844.db2.gz XSJCVPFMPCMSHO-CYBMUJFWSA-N 0 0 403.398 4.258 20 5 HIBDRN CC(C)c1ccc([C@@H]2CCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000534782486 932764078 /nfs/dbraw/zinc/76/40/78/932764078.db2.gz KAFGBHXEAWZXPK-NRFANRHFSA-N 0 0 409.486 4.202 20 5 HIBDRN Cn1c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2nc1C1CC1 ZINC000534810061 932784014 /nfs/dbraw/zinc/78/40/14/932784014.db2.gz KLOZYTNMZCBMNK-UHFFFAOYSA-N 0 0 415.247 4.374 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2cc(N3CCCC3=O)ccc2Cl)cc1[N+](=O)[O-] ZINC000534811149 932785053 /nfs/dbraw/zinc/78/50/53/932785053.db2.gz HTDZOQLCBMTLKN-CYBMUJFWSA-N 0 0 401.850 4.174 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000534834892 932801227 /nfs/dbraw/zinc/80/12/27/932801227.db2.gz BVMNNFJRWPJWRK-UONOGXRCSA-N 0 0 412.471 4.045 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000534938012 932847412 /nfs/dbraw/zinc/84/74/12/932847412.db2.gz DQJZVZSECPLREY-INIZCTEOSA-N 0 0 408.458 4.198 20 5 HIBDRN CCOc1ccc(Br)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000534989062 932877750 /nfs/dbraw/zinc/87/77/50/932877750.db2.gz VCYXTFIURIBLEF-UHFFFAOYSA-N 0 0 404.220 4.490 20 5 HIBDRN CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCN(c4ccc([N+](=O)[O-])nc4)CC1)(C2)C3 ZINC000535027292 932888499 /nfs/dbraw/zinc/88/84/99/932888499.db2.gz XLOYVARFTZHDKO-UHFFFAOYSA-N 0 0 412.534 4.025 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NC3C[C@H](C)O[C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000535054420 932893402 /nfs/dbraw/zinc/89/34/02/932893402.db2.gz IGOGPAAKQRWHTD-RYUDHWBXSA-N 0 0 407.517 4.197 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CC[C@H](C3CCOCC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000535162746 932980014 /nfs/dbraw/zinc/98/00/14/932980014.db2.gz QJULIDRZLSTJLM-LPHOPBHVSA-N 0 0 424.501 4.052 20 5 HIBDRN CC(C)Oc1cccc(CN(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000535185472 933001509 /nfs/dbraw/zinc/00/15/09/933001509.db2.gz KNLGOEINMVCXDF-UHFFFAOYSA-N 0 0 408.458 4.055 20 5 HIBDRN COC(=O)CCSc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000535204689 933012699 /nfs/dbraw/zinc/01/26/99/933012699.db2.gz DRKUPIHIQJEWAU-UHFFFAOYSA-N 0 0 408.863 4.085 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000535213633 933019585 /nfs/dbraw/zinc/01/95/85/933019585.db2.gz YUFYQPDYDMMJDE-CQSZACIVSA-N 0 0 402.520 4.065 20 5 HIBDRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000535303097 933060287 /nfs/dbraw/zinc/06/02/87/933060287.db2.gz KIRWMGWQSIMCIZ-LJAQVGFWSA-N 0 0 415.515 4.232 20 5 HIBDRN CC(C)OCCOCc1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000535303472 933060436 /nfs/dbraw/zinc/06/04/36/933060436.db2.gz OPEFKSPGFCQABZ-UHFFFAOYSA-N 0 0 413.474 4.127 20 5 HIBDRN C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(-c2cccnc2)cc1 ZINC000535313743 933067305 /nfs/dbraw/zinc/06/73/05/933067305.db2.gz PPVYPLREOZJMGX-INIZCTEOSA-N 0 0 402.454 4.486 20 5 HIBDRN CC(C)OCCOCc1cccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000535338203 933080248 /nfs/dbraw/zinc/08/02/48/933080248.db2.gz JKTOJPHLETWUSB-UHFFFAOYSA-N 0 0 411.458 4.199 20 5 HIBDRN C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(OCc2cccnc2)cc1 ZINC000535374692 933100153 /nfs/dbraw/zinc/10/01/53/933100153.db2.gz SYONDKRQSDNIGI-KRWDZBQOSA-N 0 0 420.469 4.172 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3cccc(C)c3Cl)CC2)ccc1[N+](=O)[O-] ZINC000562403449 945070455 /nfs/dbraw/zinc/07/04/55/945070455.db2.gz LDJWGPBDVMWIRH-UHFFFAOYSA-N 0 0 418.881 4.309 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(Br)ccc1O ZINC000535413470 933124236 /nfs/dbraw/zinc/12/42/36/933124236.db2.gz SBYOMIBYRPZHOR-QMMMGPOBSA-N 0 0 415.627 4.122 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc(-c2ccc(O)cc2)cs1 ZINC000535427371 933130141 /nfs/dbraw/zinc/13/01/41/933130141.db2.gz VWFQMQNYYOTPII-UHFFFAOYSA-N 0 0 419.846 4.485 20 5 HIBDRN Cc1cccc(-n2ncc(C(=O)NCCc3cccc([N+](=O)[O-])c3)c2C(F)(F)F)c1 ZINC000535442854 933137682 /nfs/dbraw/zinc/13/76/82/933137682.db2.gz SONSLVPXACCHQI-UHFFFAOYSA-N 0 0 418.375 4.080 20 5 HIBDRN O=C(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])s1 ZINC000535465090 933155256 /nfs/dbraw/zinc/15/52/56/933155256.db2.gz WEJQCXXNSBCVMI-UHFFFAOYSA-N 0 0 412.349 4.052 20 5 HIBDRN 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ZINC000535556016 933240547 /nfs/dbraw/zinc/24/05/47/933240547.db2.gz IVIIYZWTVWIKPB-UHFFFAOYSA-N 0 0 402.353 4.055 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCC(OCCc4ccccc4)CC3)co2)cc1 ZINC000535571405 933246325 /nfs/dbraw/zinc/24/63/25/933246325.db2.gz ZMILPYAPDYPGSL-UHFFFAOYSA-N 0 0 407.470 4.474 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(C)ccc2Br)cc([N+](=O)[O-])c1 ZINC000535609692 933266071 /nfs/dbraw/zinc/26/60/71/933266071.db2.gz LLAJGATZJWDQSP-UHFFFAOYSA-N 0 0 407.220 4.095 20 5 HIBDRN COc1ccc([C@H](CCO)NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000535663306 933308208 /nfs/dbraw/zinc/30/82/08/933308208.db2.gz UNCBWDUVUJWUMT-FQEVSTJZSA-N 0 0 421.453 4.201 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c1cccc2Cl ZINC000535665680 933310168 /nfs/dbraw/zinc/31/01/68/933310168.db2.gz IKCVORGZRGMMBX-UHFFFAOYSA-N 0 0 420.874 4.106 20 5 HIBDRN O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000535700906 933354719 /nfs/dbraw/zinc/35/47/19/933354719.db2.gz 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COCCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000540434338 939247621 /nfs/dbraw/zinc/24/76/21/939247621.db2.gz YQVDOLIFEXTYIC-UHFFFAOYSA-N 0 0 404.488 4.051 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000540436466 939248843 /nfs/dbraw/zinc/24/88/43/939248843.db2.gz XVDMUUPWGVNSEL-UHFFFAOYSA-N 0 0 414.462 4.350 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)c1ccccc1[N+](=O)[O-] ZINC000540448964 939253926 /nfs/dbraw/zinc/25/39/26/939253926.db2.gz HUARPYWQMZVIGZ-GFCCVEGCSA-N 0 0 415.247 4.034 20 5 HIBDRN CCOC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)c1ccccc1 ZINC000540454078 939256430 /nfs/dbraw/zinc/25/64/30/939256430.db2.gz NKMDMMGXTXYDBM-SFHVURJKSA-N 0 0 416.499 4.172 20 5 HIBDRN CN(C(=O)c1cnn(-c2ccccc2F)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540453636 939256584 /nfs/dbraw/zinc/25/65/84/939256584.db2.gz YILCOEGGOCKRPE-UHFFFAOYSA-N 0 0 423.429 4.320 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000540453246 939256838 /nfs/dbraw/zinc/25/68/38/939256838.db2.gz AGPOWICVGHXSJC-RDTXWAMCSA-N 0 0 413.499 4.019 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000540473879 939266218 /nfs/dbraw/zinc/26/62/18/939266218.db2.gz WRNJVIZYINOLLK-GOSISDBHSA-N 0 0 404.463 4.448 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000540490301 939272711 /nfs/dbraw/zinc/27/27/11/939272711.db2.gz BBISQXIPZBCYPC-UXHICEINSA-N 0 0 419.428 4.025 20 5 HIBDRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1Br ZINC000540509029 939281972 /nfs/dbraw/zinc/28/19/72/939281972.db2.gz KTFVNBFWJPLJOS-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000540534097 939293783 /nfs/dbraw/zinc/29/37/83/939293783.db2.gz HRWQTMANMKHMKI-ZLIFDBKOSA-N 0 0 404.850 4.087 20 5 HIBDRN Nc1c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000540547253 939300625 /nfs/dbraw/zinc/30/06/25/939300625.db2.gz UWHLDEHUFQOIIU-ZDUSSCGKSA-N 0 0 407.270 4.229 20 5 HIBDRN CC(C)[C@@H]1CCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000540548731 939301819 /nfs/dbraw/zinc/30/18/19/939301819.db2.gz HBPVFBKGLFMATA-NRFANRHFSA-N 0 0 404.470 4.247 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)c1 ZINC000540593241 939313804 /nfs/dbraw/zinc/31/38/04/939313804.db2.gz DLNRVJNDPLLSGM-UHFFFAOYSA-N 0 0 418.356 4.298 20 5 HIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2nc(-c3ccncc3)cs2)c1 ZINC000540616127 939320779 /nfs/dbraw/zinc/32/07/79/939320779.db2.gz DMNKEHFXRPZKGI-UHFFFAOYSA-N 0 0 406.414 4.047 20 5 HIBDRN CCC1(CC)CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c2ccccc21 ZINC000540657874 939332546 /nfs/dbraw/zinc/33/25/46/939332546.db2.gz WVJHXSMFXOKRQJ-UHFFFAOYSA-N 0 0 409.486 4.150 20 5 HIBDRN COc1cc(CCNC(=O)N2CCCC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000540730043 939350891 /nfs/dbraw/zinc/35/08/91/939350891.db2.gz NFBGFKLBXFFVEB-SFHVURJKSA-N 0 0 413.474 4.091 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000540744637 939356034 /nfs/dbraw/zinc/35/60/34/939356034.db2.gz PTNLTITVTMZSGW-AWEZNQCLSA-N 0 0 417.535 4.296 20 5 HIBDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)c12 ZINC000540750281 939358397 /nfs/dbraw/zinc/35/83/97/939358397.db2.gz CUHDGDFNVWJFLF-UHFFFAOYSA-N 0 0 401.426 4.413 20 5 HIBDRN Cc1cc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000540749797 939358670 /nfs/dbraw/zinc/35/86/70/939358670.db2.gz ORZQBOVPZBWIDK-CYBMUJFWSA-N 0 0 408.380 4.172 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000540787042 939372138 /nfs/dbraw/zinc/37/21/38/939372138.db2.gz YMVLZCIMTKYFEJ-KXBFYZLASA-N 0 0 402.516 4.209 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540802020 939378193 /nfs/dbraw/zinc/37/81/93/939378193.db2.gz YUNUHZJMUUMGFN-WBVHZDCISA-N 0 0 411.886 4.403 20 5 HIBDRN Cn1cc(CNc2ccc3c(c2)nc(C2CC2)n3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540810011 939379625 /nfs/dbraw/zinc/37/96/25/939379625.db2.gz GZGSFYNTPRXLCR-UHFFFAOYSA-N 0 0 402.458 4.372 20 5 HIBDRN CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000540996133 939427844 /nfs/dbraw/zinc/42/78/44/939427844.db2.gz INPDNRFAKNXEPC-UHFFFAOYSA-N 0 0 417.372 4.288 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(OCC2CCCCC2)CC1 ZINC000541004624 939429446 /nfs/dbraw/zinc/42/94/46/939429446.db2.gz AOBVBOYNVCBJDV-UHFFFAOYSA-N 0 0 412.433 4.398 20 5 HIBDRN C[C@](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)(c1ccc(F)cc1)C(F)(F)F ZINC000541011496 939430952 /nfs/dbraw/zinc/43/09/52/939430952.db2.gz YDYJXWFEKLUMER-SFHVURJKSA-N 0 0 422.338 4.127 20 5 HIBDRN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541026067 939434336 /nfs/dbraw/zinc/43/43/36/939434336.db2.gz JLTNRRVORGQEBB-OAHLLOKOSA-N 0 0 420.416 4.315 20 5 HIBDRN CCOc1ccc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000541055710 939443371 /nfs/dbraw/zinc/44/33/71/939443371.db2.gz VXCXDXZEZVTAHF-GOSISDBHSA-N 0 0 424.375 4.226 20 5 HIBDRN COc1ccc(NC(=O)CCCOc2ccccc2Br)cc1[N+](=O)[O-] ZINC000541067344 939448346 /nfs/dbraw/zinc/44/83/46/939448346.db2.gz XSJBQJDCQJOBLN-UHFFFAOYSA-N 0 0 409.236 4.164 20 5 HIBDRN CC(=O)CCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000541068878 939448745 /nfs/dbraw/zinc/44/87/45/939448745.db2.gz JPUHMZHUJGHVCH-UHFFFAOYSA-N 0 0 410.348 4.153 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccn(Cc2ccccc2)c1=O ZINC000541069332 939449337 /nfs/dbraw/zinc/44/93/37/939449337.db2.gz ZJLRWAIHPQXEDR-UHFFFAOYSA-N 0 0 417.343 4.076 20 5 HIBDRN COc1ccc(NC(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000541098858 939459697 /nfs/dbraw/zinc/45/96/97/939459697.db2.gz POOFAZVDDZKBPW-LJQANCHMSA-N 0 0 406.442 4.412 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)cc([N+](=O)[O-])c1OC ZINC000541121719 939468933 /nfs/dbraw/zinc/46/89/33/939468933.db2.gz UTPGVHRXVAPUON-UHFFFAOYSA-N 0 0 410.373 4.320 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000541133594 939472502 /nfs/dbraw/zinc/47/25/02/939472502.db2.gz OSUOEPCRKBYCSK-UHFFFAOYSA-N 0 0 410.499 4.427 20 5 HIBDRN COc1ccc(NC(=O)C(=O)N[C@@H](CC2CCCCC2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000541143102 939475392 /nfs/dbraw/zinc/47/53/92/939475392.db2.gz IPNDDNDFWCISPG-SFHVURJKSA-N 0 0 405.495 4.043 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2ccncc2OCC(F)(F)F)c(Br)c1 ZINC000541221575 939486347 /nfs/dbraw/zinc/48/63/47/939486347.db2.gz SULJVRKDSDABJH-UHFFFAOYSA-N 0 0 406.158 4.306 20 5 HIBDRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000541262267 939488192 /nfs/dbraw/zinc/48/81/92/939488192.db2.gz KVJFPJHRASKZCX-UHFFFAOYSA-N 0 0 402.472 4.210 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000541265455 939488398 /nfs/dbraw/zinc/48/83/98/939488398.db2.gz PYNPALHJPSNMDF-UHFFFAOYSA-N 0 0 420.903 4.421 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000541277453 939489032 /nfs/dbraw/zinc/48/90/32/939489032.db2.gz HPRMYYYIXZDXIG-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC[C@@H]2c2cccc3ccccc32)cc1 ZINC000541280546 939489103 /nfs/dbraw/zinc/48/91/03/939489103.db2.gz PTMQMHCKNDZKLR-JOCHJYFZSA-N 0 0 410.495 4.359 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000541284493 939489270 /nfs/dbraw/zinc/48/92/70/939489270.db2.gz FUAWFEFYTBDGIT-UHFFFAOYSA-N 0 0 423.853 4.245 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(C(=O)N2CCCC2)c1 ZINC000541291883 939489626 /nfs/dbraw/zinc/48/96/26/939489626.db2.gz AAMAMNCRXBCVIC-UHFFFAOYSA-N 0 0 419.890 4.215 20 5 HIBDRN O=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000541296546 939489840 /nfs/dbraw/zinc/48/98/40/939489840.db2.gz GPRQXRMQQYCMLY-UHFFFAOYSA-N 0 0 417.343 4.467 20 5 HIBDRN Cc1ccc([C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)cc1 ZINC000541319675 939490743 /nfs/dbraw/zinc/49/07/43/939490743.db2.gz BHAOMINVCDTKON-CQSZACIVSA-N 0 0 414.405 4.100 20 5 HIBDRN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1cccc2ccccc21)C(F)(F)F ZINC000541327693 939491026 /nfs/dbraw/zinc/49/10/26/939491026.db2.gz WCSCCBRLODSCHO-FOIQADDNSA-N 0 0 420.387 4.381 20 5 HIBDRN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000541514144 939541713 /nfs/dbraw/zinc/54/17/13/939541713.db2.gz WXOSOBCPPYBQIT-QVKFZJNVSA-N 0 0 406.442 4.012 20 5 HIBDRN CCc1ccc([C@H](NC[C@@H](O)COc2cccc(C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541547495 939551160 /nfs/dbraw/zinc/55/11/60/939551160.db2.gz YKKXOQNGYMNBIU-AUSIDOKSSA-N 0 0 410.470 4.178 20 5 HIBDRN Cc1c(Br)c(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] ZINC000541576269 939559048 /nfs/dbraw/zinc/55/90/48/939559048.db2.gz FDTXFXAURRGVTK-BMIGLBTASA-N 0 0 410.243 4.166 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(NCCOc3ncc(C(F)(F)F)cc3Cl)c21 ZINC000541576397 939559113 /nfs/dbraw/zinc/55/91/13/939559113.db2.gz HJGXMBQHYNTQOP-UHFFFAOYSA-N 0 0 413.743 4.096 20 5 HIBDRN Cc1c(Br)c(N2CCC(OCCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000541577801 939559175 /nfs/dbraw/zinc/55/91/75/939559175.db2.gz YYIQEHCIHDZCDP-UHFFFAOYSA-N 0 0 420.307 4.289 20 5 HIBDRN Cc1c(Br)c(N2CCC[C@H](CC(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000541576507 939559180 /nfs/dbraw/zinc/55/91/80/939559180.db2.gz LCLOTZLTYXBKQV-GFCCVEGCSA-N 0 0 414.300 4.009 20 5 HIBDRN COCCOC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000541582821 939560350 /nfs/dbraw/zinc/56/03/50/939560350.db2.gz PUQBRAQUVAYLHY-KRWDZBQOSA-N 0 0 422.547 4.002 20 5 HIBDRN C[C@@H](C(=O)Nc1nc2cc3c(cc2s1)OCCCO3)c1ccc([N+](=O)[O-])cc1F ZINC000541584785 939560801 /nfs/dbraw/zinc/56/08/01/939560801.db2.gz VYNAXHHVJBEEIM-SNVBAGLBSA-N 0 0 417.418 4.247 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c(=O)n(C)c1 ZINC000541595403 939562554 /nfs/dbraw/zinc/56/25/54/939562554.db2.gz RSNKBNQSYIFWKP-UHFFFAOYSA-N 0 0 401.488 4.137 20 5 HIBDRN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541605860 939567562 /nfs/dbraw/zinc/56/75/62/939567562.db2.gz XOYCVZCBUKROPL-LBPRGKRZSA-N 0 0 418.375 4.308 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541608125 939568499 /nfs/dbraw/zinc/56/84/99/939568499.db2.gz NWZVBTXJSHULQH-OAHLLOKOSA-N 0 0 421.428 4.406 20 5 HIBDRN C[C@@H](C(=O)NCc1ccc(Oc2cccnc2)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000541613109 939570761 /nfs/dbraw/zinc/57/07/61/939570761.db2.gz NXTGGNVKKNSZNG-CYBMUJFWSA-N 0 0 413.380 4.480 20 5 HIBDRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000541622908 939573242 /nfs/dbraw/zinc/57/32/42/939573242.db2.gz YXFJGCNURFYMPI-ZBFHGGJFSA-N 0 0 403.429 4.070 20 5 HIBDRN CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541637132 939579791 /nfs/dbraw/zinc/57/97/91/939579791.db2.gz NOUJLVSCACLNDV-HKUYNNGSSA-N 0 0 404.463 4.205 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCC[C@@H]3c3cc[nH]n3)cc2[N+](=O)[O-])C1 ZINC000563705373 945259857 /nfs/dbraw/zinc/25/98/57/945259857.db2.gz BDBUIOYELRLHMT-JTDSTZFVSA-N 0 0 411.506 4.168 20 5 HIBDRN COCC(=O)N1CCc2c1cccc2NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000541760207 939623267 /nfs/dbraw/zinc/62/32/67/939623267.db2.gz CGSZZVXAIMZDFZ-UHFFFAOYSA-N 0 0 423.494 4.471 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H](CCO)c2ccccc2Br)cc1OC(F)F ZINC000541933448 939657128 /nfs/dbraw/zinc/65/71/28/939657128.db2.gz MRHPBZZMXLJCFP-CYBMUJFWSA-N 0 0 417.206 4.494 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H](CCO)c2ccccc2Br)cc1OC(F)F ZINC000541933449 939657235 /nfs/dbraw/zinc/65/72/35/939657235.db2.gz MRHPBZZMXLJCFP-ZDUSSCGKSA-N 0 0 417.206 4.494 20 5 HIBDRN COc1cccc(OC)c1Oc1ccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])cn1 ZINC000541936275 939657870 /nfs/dbraw/zinc/65/78/70/939657870.db2.gz VRHBPSKMXNXTTN-UHFFFAOYSA-N 0 0 410.430 4.423 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cc(C4CCCC4)nn3C)cc2)c(C)c1[N+](=O)[O-] ZINC000541936625 939657997 /nfs/dbraw/zinc/65/79/97/939657997.db2.gz SWTSYEQRBMIIEU-UHFFFAOYSA-N 0 0 422.489 4.100 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000541962204 939663745 /nfs/dbraw/zinc/66/37/45/939663745.db2.gz CXVDHDSPSBUCQM-UHFFFAOYSA-N 0 0 418.274 4.254 20 5 HIBDRN CC(=O)N[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(C)cc1 ZINC000541996921 939674819 /nfs/dbraw/zinc/67/48/19/939674819.db2.gz BWNXGXNFADWPCR-INIZCTEOSA-N 0 0 409.364 4.128 20 5 HIBDRN COc1ccc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c32)cc1[N+](=O)[O-] ZINC000542001922 939678304 /nfs/dbraw/zinc/67/83/04/939678304.db2.gz VVENHHVTLFSZLX-UHFFFAOYSA-N 0 0 418.500 4.264 20 5 HIBDRN COc1ccc(NC(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000542028532 939692151 /nfs/dbraw/zinc/69/21/51/939692151.db2.gz ICAQPXDPBFTGFY-UHFFFAOYSA-N 0 0 410.430 4.355 20 5 HIBDRN COc1ccc(NC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000542035952 939694396 /nfs/dbraw/zinc/69/43/96/939694396.db2.gz BFROSWLTNJOLPM-OAHLLOKOSA-N 0 0 422.441 4.460 20 5 HIBDRN COc1ccc(NC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000542035339 939694576 /nfs/dbraw/zinc/69/45/76/939694576.db2.gz XYTGFFIQRYBPGT-KBPBESRZSA-N 0 0 406.236 4.044 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Sc2nnc(COc3cc(C)ccc3C)o2)c1 ZINC000542044849 939697693 /nfs/dbraw/zinc/69/76/93/939697693.db2.gz KICKMNWASPNTEH-UHFFFAOYSA-N 0 0 415.427 4.111 20 5 HIBDRN COc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000542072624 939702800 /nfs/dbraw/zinc/70/28/00/939702800.db2.gz HTYLBZIKCUZLSI-UHFFFAOYSA-N 0 0 424.310 4.199 20 5 HIBDRN COc1ccc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)cc1[N+](=O)[O-] ZINC000542074585 939702989 /nfs/dbraw/zinc/70/29/89/939702989.db2.gz XABLLZYVSLUYOV-UHFFFAOYSA-N 0 0 417.219 4.008 20 5 HIBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCC(=O)C1CC1 ZINC000542174122 939743697 /nfs/dbraw/zinc/74/36/97/939743697.db2.gz QFGHKQBHNVPURA-LFIBNONCSA-N 0 0 421.478 4.231 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1cnn(C[C@@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000542189842 939750341 /nfs/dbraw/zinc/75/03/41/939750341.db2.gz ZHRQZTQKWGNZOR-CQSZACIVSA-N 0 0 408.241 4.205 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1csc(-c2ccccn2)n1 ZINC000542201079 939754154 /nfs/dbraw/zinc/75/41/54/939754154.db2.gz QHNITQHOHLSPFX-JTQLQIEISA-N 0 0 404.835 4.173 20 5 HIBDRN COc1cc(C(=O)Nc2nn(C3CCCCC3)cc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000542203692 939755696 /nfs/dbraw/zinc/75/56/96/939755696.db2.gz BCOJWPAMEAFELU-UHFFFAOYSA-N 0 0 424.404 4.467 20 5 HIBDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000542223756 939763736 /nfs/dbraw/zinc/76/37/36/939763736.db2.gz OMBBFWHUEDCEHU-JTQLQIEISA-N 0 0 418.318 4.490 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccc(OC2CCCCC2)nc1 ZINC000542231466 939766370 /nfs/dbraw/zinc/76/63/70/939766370.db2.gz RNVOIGMXSKYMSG-UHFFFAOYSA-N 0 0 401.488 4.110 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCc2cccc(Br)c2C1 ZINC000542232938 939768033 /nfs/dbraw/zinc/76/80/33/939768033.db2.gz AXGVHSLTCZQZHF-UHFFFAOYSA-N 0 0 407.289 4.034 20 5 HIBDRN CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)c1ccccc1OC ZINC000542245923 939771795 /nfs/dbraw/zinc/77/17/95/939771795.db2.gz VLLIHCONXBOUKN-HNNXBMFYSA-N 0 0 401.463 4.295 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000563730452 945270667 /nfs/dbraw/zinc/27/06/67/945270667.db2.gz HROSFGPRVWZTRL-VXKWHMMOSA-N 0 0 411.502 4.330 20 5 HIBDRN Cc1ccnn1-c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000542298976 939790397 /nfs/dbraw/zinc/79/03/97/939790397.db2.gz XDBJNNJVSXHNBO-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@]3(C)CCO[C@@H]3C3CC3)cc2[N+](=O)[O-])n1 ZINC000542344092 939803769 /nfs/dbraw/zinc/80/37/69/939803769.db2.gz IKFJGTVXZZQSIG-APWZRJJASA-N 0 0 419.528 4.198 20 5 HIBDRN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000542440778 939823412 /nfs/dbraw/zinc/82/34/12/939823412.db2.gz BUXGROSCKVJRCS-YWZLYKJASA-N 0 0 421.453 4.140 20 5 HIBDRN COc1ccc(C2(CNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)CCC2)cc1 ZINC000542446608 939824535 /nfs/dbraw/zinc/82/45/35/939824535.db2.gz YYBRPSNXHSARQP-UHFFFAOYSA-N 0 0 409.486 4.399 20 5 HIBDRN Cc1c(Br)c(Sc2nnc(-c3ccccc3)n2C)ncc1[N+](=O)[O-] ZINC000542507573 939834292 /nfs/dbraw/zinc/83/42/92/939834292.db2.gz YHEGJQXCCKTKCG-UHFFFAOYSA-N 0 0 406.265 4.007 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542510354 939834793 /nfs/dbraw/zinc/83/47/93/939834793.db2.gz JMKHYVFGEMPHLV-XHSDSOJGSA-N 0 0 415.465 4.085 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000542513588 939835352 /nfs/dbraw/zinc/83/53/52/939835352.db2.gz GZZDTQATFUWRDB-BFUOFWGJSA-N 0 0 402.422 4.218 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)ccc1F ZINC000542527039 939837397 /nfs/dbraw/zinc/83/73/97/939837397.db2.gz OTLFFVSVVJBKNG-RYUDHWBXSA-N 0 0 416.384 4.212 20 5 HIBDRN C[C@H](C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542526351 939837455 /nfs/dbraw/zinc/83/74/55/939837455.db2.gz WLZRVGISFOESCK-OXNYHJJDSA-N 0 0 410.804 4.276 20 5 HIBDRN Cc1nn(C)c(C)c1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542537795 939839988 /nfs/dbraw/zinc/83/99/88/939839988.db2.gz JMSATYFOMGRSQJ-UHFFFAOYSA-N 0 0 416.547 4.200 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000542538069 939840225 /nfs/dbraw/zinc/84/02/25/939840225.db2.gz JTMANXSVJBZYQO-HNNXBMFYSA-N 0 0 413.449 4.348 20 5 HIBDRN C[C@H](C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000542545491 939841591 /nfs/dbraw/zinc/84/15/91/939841591.db2.gz REGIBEFVUAJPKB-AWEZNQCLSA-N 0 0 420.868 4.355 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000542566934 939844588 /nfs/dbraw/zinc/84/45/88/939844588.db2.gz OUYAPBQERNNOKM-NVXWUHKLSA-N 0 0 423.238 4.147 20 5 HIBDRN Cc1cnc([C@H](C)CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000542571876 939845177 /nfs/dbraw/zinc/84/51/77/939845177.db2.gz PWDKSDJDWJMWIP-SECBINFHSA-N 0 0 419.450 4.391 20 5 HIBDRN Cc1csc([C@H](C)CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000542582082 939846100 /nfs/dbraw/zinc/84/61/00/939846100.db2.gz CQBCXZDTUPEQCG-SECBINFHSA-N 0 0 419.450 4.391 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NCCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)cc1 ZINC000542610313 939848132 /nfs/dbraw/zinc/84/81/32/939848132.db2.gz KIJWRGMYRNXQKI-HNNXBMFYSA-N 0 0 423.473 4.195 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1nc(C2CCCCC2)no1 ZINC000542623011 939849755 /nfs/dbraw/zinc/84/97/55/939849755.db2.gz YDXRBDIYIIATQF-CQSZACIVSA-N 0 0 401.467 4.013 20 5 HIBDRN COc1ccc(NC(=O)N2CCc3c(Br)ccc(F)c3C2)cc1[N+](=O)[O-] ZINC000542730939 939857620 /nfs/dbraw/zinc/85/76/20/939857620.db2.gz XZSMUCXJTWTCKS-UHFFFAOYSA-N 0 0 424.226 4.095 20 5 HIBDRN COc1cc(CNc2nnc(C(C)(C)C)o2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000542755996 939859193 /nfs/dbraw/zinc/85/91/93/939859193.db2.gz HZPHVRYPWYAWFT-UHFFFAOYSA-N 0 0 412.446 4.475 20 5 HIBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000542838335 939862192 /nfs/dbraw/zinc/86/21/92/939862192.db2.gz CWUUAMHTXPWSPE-AWEZNQCLSA-N 0 0 411.487 4.377 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc(-c3cccnc3)n2Cc2ccco2)n1 ZINC000542864876 939864142 /nfs/dbraw/zinc/86/41/42/939864142.db2.gz KOWLDGBCZDLLHJ-UHFFFAOYSA-N 0 0 408.443 4.053 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H](CO)c3ccc(C(F)(F)F)cc3)co2)cc1 ZINC000542881660 939865156 /nfs/dbraw/zinc/86/51/56/939865156.db2.gz SUKGHSCCEMEVPO-KRWDZBQOSA-N 0 0 407.348 4.092 20 5 HIBDRN O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542885612 939865264 /nfs/dbraw/zinc/86/52/64/939865264.db2.gz QAMXNMKNMKBAKL-UHFFFAOYSA-N 0 0 407.354 4.278 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(COc2ccccc2)CC1 ZINC000542887286 939865515 /nfs/dbraw/zinc/86/55/15/939865515.db2.gz AOWRIKCYGFVZSM-UHFFFAOYSA-N 0 0 406.385 4.127 20 5 HIBDRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] ZINC000542929474 939880166 /nfs/dbraw/zinc/88/01/66/939880166.db2.gz ANLBXQDNTGYBCV-UHFFFAOYSA-N 0 0 420.834 4.038 20 5 HIBDRN COc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000542930590 939880561 /nfs/dbraw/zinc/88/05/61/939880561.db2.gz REVGBLKWGDNION-UHFFFAOYSA-N 0 0 424.310 4.199 20 5 HIBDRN COCCCn1c(=O)c2ccccc2nc1SCc1ccc([N+](=O)[O-])cc1Cl ZINC000542932536 939881093 /nfs/dbraw/zinc/88/10/93/939881093.db2.gz UFRWSYJBBBFOLH-UHFFFAOYSA-N 0 0 419.890 4.287 20 5 HIBDRN Cc1nc(-c2ccc(Br)cc2)nn1CCOc1ccccc1[N+](=O)[O-] ZINC000542941561 939882654 /nfs/dbraw/zinc/88/26/54/939882654.db2.gz AODYKZFXNSSNPE-UHFFFAOYSA-N 0 0 403.236 4.003 20 5 HIBDRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542956514 939885647 /nfs/dbraw/zinc/88/56/47/939885647.db2.gz CBHLCRHDKMQRKM-SFHVURJKSA-N 0 0 408.842 4.021 20 5 HIBDRN COc1ccc(NC(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000542959017 939886130 /nfs/dbraw/zinc/88/61/30/939886130.db2.gz LWFLTCUELHANQI-CQSZACIVSA-N 0 0 418.881 4.168 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000543109550 939949488 /nfs/dbraw/zinc/94/94/88/939949488.db2.gz ULMQEBKXSNFDPT-CYBMUJFWSA-N 0 0 409.286 4.328 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccnn1CCc1ccccc1 ZINC000543120583 939955916 /nfs/dbraw/zinc/95/59/16/939955916.db2.gz FLQCVWOXGVZYLR-UHFFFAOYSA-N 0 0 416.890 4.418 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H]2CCc3sc(Cl)cc32)c(C)c([N+](=O)[O-])c1 ZINC000563755688 945286109 /nfs/dbraw/zinc/28/61/09/945286109.db2.gz OYOFYQTZCVTCCD-NSHDSACASA-N 0 0 409.851 4.214 20 5 HIBDRN COc1cc(CN(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1 ZINC000543150580 939973735 /nfs/dbraw/zinc/97/37/35/939973735.db2.gz XOPWJINLWIGLLN-UHFFFAOYSA-N 0 0 410.879 4.016 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(CC(F)(F)F)c1ccccn1 ZINC000543151852 939975454 /nfs/dbraw/zinc/97/54/54/939975454.db2.gz PFSIFDJPHVRSPK-UHFFFAOYSA-N 0 0 405.785 4.331 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)cc([N+](=O)[O-])c1OC ZINC000543225210 940000857 /nfs/dbraw/zinc/00/08/57/940000857.db2.gz CAWFUNXHROIARM-UHFFFAOYSA-N 0 0 424.413 4.100 20 5 HIBDRN Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000543228534 940001563 /nfs/dbraw/zinc/00/15/63/940001563.db2.gz VVLZCNYHWQVURG-UHFFFAOYSA-N 0 0 417.425 4.493 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000543304109 940023585 /nfs/dbraw/zinc/02/35/85/940023585.db2.gz WSLICULROSKTLT-UHFFFAOYSA-N 0 0 413.352 4.175 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1cccnc1Oc1cccc(F)c1 ZINC000563766994 945291096 /nfs/dbraw/zinc/29/10/96/945291096.db2.gz PSFKWNRKMBQXJF-UHFFFAOYSA-N 0 0 417.343 4.058 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](C)CC(C)(C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000543370327 940044340 /nfs/dbraw/zinc/04/43/40/940044340.db2.gz GBLFSLRCNWIYAF-CYBMUJFWSA-N 0 0 419.503 4.147 20 5 HIBDRN COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000543370421 940044361 /nfs/dbraw/zinc/04/43/61/940044361.db2.gz KOJHIGDRAKLKEG-YCRPNKLZSA-N 0 0 406.442 4.012 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000543383591 940047700 /nfs/dbraw/zinc/04/77/00/940047700.db2.gz OKASEELXDMVYGU-UHFFFAOYSA-N 0 0 420.469 4.392 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(NCCCCc3nc(-c4cccnc4)cs3)c21 ZINC000543437121 940063891 /nfs/dbraw/zinc/06/38/91/940063891.db2.gz RDDLEGNZVAXNOX-UHFFFAOYSA-N 0 0 406.471 4.491 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N(CCO)[C@@H]1CCc2ccccc21 ZINC000543444989 940065650 /nfs/dbraw/zinc/06/56/50/940065650.db2.gz OSBCBVHXFVMSAG-MRXNPFEDSA-N 0 0 409.364 4.127 20 5 HIBDRN C[C@H](C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543459739 940069611 /nfs/dbraw/zinc/06/96/11/940069611.db2.gz GRWKHQKFOCLWQG-RYUDHWBXSA-N 0 0 409.820 4.025 20 5 HIBDRN COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000543479666 940078233 /nfs/dbraw/zinc/07/82/33/940078233.db2.gz DXSRHQATZLDPTH-GFCCVEGCSA-N 0 0 412.820 4.305 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1)C(C)C ZINC000543484105 940079525 /nfs/dbraw/zinc/07/95/25/940079525.db2.gz PZJDSBHEWILEFH-CQSZACIVSA-N 0 0 401.438 4.233 20 5 HIBDRN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000543497070 940084789 /nfs/dbraw/zinc/08/47/89/940084789.db2.gz SLYCGRXXGUFBIU-SKDRFNHKSA-N 0 0 402.398 4.138 20 5 HIBDRN CCC(C)(C)OCc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000543534504 940097297 /nfs/dbraw/zinc/09/72/97/940097297.db2.gz OLGUUOKESAAOCZ-OAHLLOKOSA-N 0 0 413.474 4.116 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cc2Cl)n[nH]1 ZINC000543568229 940113964 /nfs/dbraw/zinc/11/39/64/940113964.db2.gz GWLIPLSJTGQPSG-VIFPVBQESA-N 0 0 403.801 4.223 20 5 HIBDRN O=C(NC[C@H](CO)c1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543582867 940118531 /nfs/dbraw/zinc/11/85/31/940118531.db2.gz MMEXXVWHSDLMRM-GOSISDBHSA-N 0 0 414.527 4.383 20 5 HIBDRN C[C@H](C(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543655496 940151737 /nfs/dbraw/zinc/15/17/37/940151737.db2.gz FOBSZPBFGKVMEG-KBPBESRZSA-N 0 0 421.419 4.021 20 5 HIBDRN NS(=O)(=O)c1cccc(Sc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000543693761 940161639 /nfs/dbraw/zinc/16/16/39/940161639.db2.gz RDGYBZKSUZMWPY-UHFFFAOYSA-N 0 0 412.798 4.066 20 5 HIBDRN Cc1ccnc(Oc2ccc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)cc2)n1 ZINC000543788289 940187106 /nfs/dbraw/zinc/18/71/06/940187106.db2.gz RGPWFYWSPZWSMI-UHFFFAOYSA-N 0 0 416.340 4.339 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(OC2CCOCC2)cc1 ZINC000543853515 940210065 /nfs/dbraw/zinc/21/00/65/940210065.db2.gz ANBSQQALTHWERR-UHFFFAOYSA-N 0 0 410.348 4.424 20 5 HIBDRN O=C1NC2(CCCC2)C(=O)N1c1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000563791480 945303457 /nfs/dbraw/zinc/30/34/57/945303457.db2.gz XLHWVRLGAYWPSH-UHFFFAOYSA-N 0 0 414.849 4.229 20 5 HIBDRN CC1(C)CN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000563791621 945303718 /nfs/dbraw/zinc/30/37/18/945303718.db2.gz YWVPLLPIKOFWOU-CJNGLKHVSA-N 0 0 418.437 4.122 20 5 HIBDRN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544055074 940312759 /nfs/dbraw/zinc/31/27/59/940312759.db2.gz CGYXBFQTXXNVNU-UHFFFAOYSA-N 0 0 408.863 4.118 20 5 HIBDRN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544073772 940318194 /nfs/dbraw/zinc/31/81/94/940318194.db2.gz XMYLCTJMDSJOKJ-CXAGYDPISA-N 0 0 406.891 4.329 20 5 HIBDRN O=C(c1cnc(OCC2CC2)c(Cl)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000544086584 940322442 /nfs/dbraw/zinc/32/24/42/940322442.db2.gz HPLSQCPDOOMPCR-UHFFFAOYSA-N 0 0 401.850 4.237 20 5 HIBDRN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ncccc1Br ZINC000544109775 940329139 /nfs/dbraw/zinc/32/91/39/940329139.db2.gz IXFOGLLWBVSTTF-UHFFFAOYSA-N 0 0 404.142 4.048 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000544125616 940332564 /nfs/dbraw/zinc/33/25/64/940332564.db2.gz MCOFYSRUEKHNBM-MRXNPFEDSA-N 0 0 403.307 4.013 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c2cccc(Cl)c2O1 ZINC000544129787 940333501 /nfs/dbraw/zinc/33/35/01/940333501.db2.gz XCOXLQLJOUDPAV-GFCCVEGCSA-N 0 0 406.822 4.083 20 5 HIBDRN CC[C@H]1CN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c2cccc(Cl)c2O1 ZINC000544130848 940334248 /nfs/dbraw/zinc/33/42/48/940334248.db2.gz VXVMAHSKNMINDR-NSHDSACASA-N 0 0 406.822 4.083 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NCC[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000544140341 940336264 /nfs/dbraw/zinc/33/62/64/940336264.db2.gz QHGKLRJIMSSIFU-ZACQAIPSSA-N 0 0 412.490 4.098 20 5 HIBDRN Cc1ccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1-c1nnnn1C1CC1 ZINC000544218437 940357735 /nfs/dbraw/zinc/35/77/35/940357735.db2.gz ZCHBAEFQEIUTOI-UHFFFAOYSA-N 0 0 406.446 4.069 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ncc(-c2ccccc2)o1 ZINC000544234581 940363114 /nfs/dbraw/zinc/36/31/14/940363114.db2.gz HZOVOMHVVZVBFZ-UHFFFAOYSA-N 0 0 403.847 4.312 20 5 HIBDRN O=C(Nc1nc(Cc2ccccc2Br)cs1)c1ccc([N+](=O)[O-])o1 ZINC000544237446 940364121 /nfs/dbraw/zinc/36/41/21/940364121.db2.gz DECFJKMNQVREIP-UHFFFAOYSA-N 0 0 408.233 4.250 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000544239503 940364607 /nfs/dbraw/zinc/36/46/07/940364607.db2.gz DKNYXPBCFDYTJQ-SFHVURJKSA-N 0 0 420.918 4.140 20 5 HIBDRN Cc1cccc(C(=O)NCCc2c[nH]c3ccc(Br)cc23)c1[N+](=O)[O-] ZINC000544305022 940385043 /nfs/dbraw/zinc/38/50/43/940385043.db2.gz WZYMIOSYUVHXDA-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccc([N+](=O)[O-])cc1Cl ZINC000544305797 940385359 /nfs/dbraw/zinc/38/53/59/940385359.db2.gz PXTDIULPMYRPFJ-UHFFFAOYSA-N 0 0 422.666 4.465 20 5 HIBDRN COc1cccc([C@H]2C[C@H](C)CN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000544323074 940390412 /nfs/dbraw/zinc/39/04/12/940390412.db2.gz OYGXEXVIQLKCRB-GAJHUEQPSA-N 0 0 423.513 4.430 20 5 HIBDRN Cc1c(Br)c(N[C@@H](CO)c2ccc(C(F)(F)F)cc2)ncc1[N+](=O)[O-] ZINC000544393608 940410959 /nfs/dbraw/zinc/41/09/59/940410959.db2.gz BQEVHYISCYUHRP-NSHDSACASA-N 0 0 420.185 4.225 20 5 HIBDRN CN(CCC(F)(F)F)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cccs1 ZINC000563873651 945318594 /nfs/dbraw/zinc/31/85/94/945318594.db2.gz OILIZDQQLLPGOH-UHFFFAOYSA-N 0 0 411.409 4.352 20 5 HIBDRN COCCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2s1 ZINC000544403070 940413541 /nfs/dbraw/zinc/41/35/41/940413541.db2.gz ZXZOLRNMZYQTNJ-GFCCVEGCSA-N 0 0 403.435 4.127 20 5 HIBDRN Cc1cc(N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000544415749 940417932 /nfs/dbraw/zinc/41/79/32/940417932.db2.gz PRNFDXSOLHKGCF-UYAOXDASSA-N 0 0 408.433 4.253 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000544422346 940421511 /nfs/dbraw/zinc/42/15/11/940421511.db2.gz 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IGJHYPKCUNERCM-UHFFFAOYSA-N 0 0 405.838 4.494 20 5 HIBDRN COc1cc(C(=O)Nc2c(-c3ccccc3)nc3ccccn32)cc([N+](=O)[O-])c1OC ZINC000545996104 940672024 /nfs/dbraw/zinc/67/20/24/940672024.db2.gz HQNVBDUYJMCWHB-UHFFFAOYSA-N 0 0 418.409 4.179 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)c2nnc(C)s2)cc1 ZINC000546053881 940683436 /nfs/dbraw/zinc/68/34/36/940683436.db2.gz DWONERCKZQMIFU-NSHDSACASA-N 0 0 414.443 4.047 20 5 HIBDRN CCOc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546065972 940688516 /nfs/dbraw/zinc/68/85/16/940688516.db2.gz VAKOSWVTMGRNHP-GOSISDBHSA-N 0 0 406.504 4.200 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000546163638 940718761 /nfs/dbraw/zinc/71/87/61/940718761.db2.gz NYFQMJWNNFKOQT-UHFFFAOYSA-N 0 0 416.833 4.037 20 5 HIBDRN O=[N+]([O-])c1ccccc1Cc1noc(Cc2cccc(OCc3cccnc3)c2)n1 ZINC000546237773 940740175 /nfs/dbraw/zinc/74/01/75/940740175.db2.gz VIYQRWRZGIEJRL-UHFFFAOYSA-N 0 0 402.410 4.133 20 5 HIBDRN C[C@@H](Oc1ccc(Br)cc1)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000546260977 940751861 /nfs/dbraw/zinc/75/18/61/940751861.db2.gz MFCJMTPPXWYUSL-SECBINFHSA-N 0 0 405.208 4.130 20 5 HIBDRN CC(=O)N[C@@H](Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1)c1ccc(Cl)cc1 ZINC000546277057 940758320 /nfs/dbraw/zinc/75/83/20/940758320.db2.gz RTBWQRWIUIJVSI-INIZCTEOSA-N 0 0 400.822 4.027 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(Cc3cc(Br)ccc3F)no2)cc1 ZINC000546279481 940759845 /nfs/dbraw/zinc/75/98/45/940759845.db2.gz CWYDCMDELIISDM-UHFFFAOYSA-N 0 0 408.183 4.049 20 5 HIBDRN CN(Cc1nc(Cc2nc3cc(Cl)ccc3s2)no1)c1ccccc1[N+](=O)[O-] ZINC000546303903 940774142 /nfs/dbraw/zinc/77/41/42/940774142.db2.gz WVQNZTLVMYDWPE-UHFFFAOYSA-N 0 0 415.862 4.468 20 5 HIBDRN CCc1ccc(-c2nc(Cc3coc(-c4ccc(OC)cc4)n3)no2)cc1[N+](=O)[O-] ZINC000546319761 940782748 /nfs/dbraw/zinc/78/27/48/940782748.db2.gz UGAHFQXCVYTZEM-UHFFFAOYSA-N 0 0 406.398 4.462 20 5 HIBDRN CCOc1ccc(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)cc1[N+](=O)[O-] ZINC000546323728 940784285 /nfs/dbraw/zinc/78/42/85/940784285.db2.gz VLBLFBVCMAEPKP-UHFFFAOYSA-N 0 0 415.356 4.379 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCc1nc(Cc2ccc(OCc3cccnc3)cc2)no1 ZINC000546327874 940787000 /nfs/dbraw/zinc/78/70/00/940787000.db2.gz DKPHSYJXKHYEET-UHFFFAOYSA-N 0 0 418.409 4.122 20 5 HIBDRN CCOc1ccc(-c2nc(Cc3ccc(OC)c(OC)c3Cl)no2)cc1[N+](=O)[O-] ZINC000546365300 940802579 /nfs/dbraw/zinc/80/25/79/940802579.db2.gz ROUVBWJROKOYGK-UHFFFAOYSA-N 0 0 419.821 4.305 20 5 HIBDRN Cc1ccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(N2CCCC2)n1 ZINC000546366295 940802901 /nfs/dbraw/zinc/80/29/01/940802901.db2.gz BMQZVKAMFAYYFP-UHFFFAOYSA-N 0 0 420.473 4.216 20 5 HIBDRN CSc1ccc(-c2nc(-c3ccnc(OCC(F)(F)F)c3)no2)cc1[N+](=O)[O-] ZINC000546368843 940803406 /nfs/dbraw/zinc/80/34/06/940803406.db2.gz VQEGIHKIXAKMIL-UHFFFAOYSA-N 0 0 412.349 4.370 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2COc3ccc(Cl)cc3C2)n1 ZINC000546375973 940805003 /nfs/dbraw/zinc/80/50/03/940805003.db2.gz IUDIIRLJVBXMST-CYBMUJFWSA-N 0 0 400.822 4.005 20 5 HIBDRN COc1ccc(CSCc2nc(COc3ccccc3C)no2)cc1[N+](=O)[O-] ZINC000546445627 940821808 /nfs/dbraw/zinc/82/18/08/940821808.db2.gz XIYNBXPEDACQCD-UHFFFAOYSA-N 0 0 401.444 4.307 20 5 HIBDRN COc1ccc2nc(C)cc(-c3nc(Cc4ccc([N+](=O)[O-])c(OC)c4)no3)c2c1 ZINC000546476456 940830835 /nfs/dbraw/zinc/83/08/35/940830835.db2.gz VSEJSXUSLRWFOY-UHFFFAOYSA-N 0 0 406.398 4.109 20 5 HIBDRN COc1cc(OC)c(OC)c2[nH]c(-c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)cc21 ZINC000546485361 940832945 /nfs/dbraw/zinc/83/29/45/940832945.db2.gz OCXKREVGKBLYAR-UHFFFAOYSA-N 0 0 424.413 4.051 20 5 HIBDRN COc1cc(OC)c(OC)cc1/C=C\c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000546490290 940834499 /nfs/dbraw/zinc/83/44/99/940834499.db2.gz BZCGPXPZVJFPIP-HJWRWDBZSA-N 0 0 411.414 4.073 20 5 HIBDRN Cc1ccc(C(=O)N2CCC[C@@H](c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)C2)cc1 ZINC000546489711 940834601 /nfs/dbraw/zinc/83/46/01/940834601.db2.gz HKHDPHZDYBQKSI-LJQANCHMSA-N 0 0 420.469 4.205 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3cc(Br)cc(C(F)(F)F)c3)no2)nc1 ZINC000546492162 940835204 /nfs/dbraw/zinc/83/52/04/940835204.db2.gz ZTWYPAIKQSWAJC-UHFFFAOYSA-N 0 0 415.125 4.488 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4cnc(-c5ccccn5)s4)n3)c2c1 ZINC000546493600 940835672 /nfs/dbraw/zinc/83/56/72/940835672.db2.gz MTUYCNOKBZVGPX-UHFFFAOYSA-N 0 0 404.411 4.235 20 5 HIBDRN Cc1c(Cc2nc(-c3cccc(OCCOC(C)(C)C)n3)no2)cccc1[N+](=O)[O-] ZINC000546526445 940844181 /nfs/dbraw/zinc/84/41/81/940844181.db2.gz ISSQBBICKFTCRM-UHFFFAOYSA-N 0 0 412.446 4.133 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccncc3N3CCCC3)no2)c1 ZINC000546527366 940844663 /nfs/dbraw/zinc/84/46/63/940844663.db2.gz QSADXLXZHDLQRL-UHFFFAOYSA-N 0 0 416.235 4.070 20 5 HIBDRN CC(C)(C(=O)N1CC[C@@H](OCCCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000546534079 940846063 /nfs/dbraw/zinc/84/60/63/940846063.db2.gz CTOPJFXNURVVKE-LJQANCHMSA-N 0 0 414.477 4.262 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000546538206 940847090 /nfs/dbraw/zinc/84/70/90/940847090.db2.gz HDGREJYIRXZKOB-KRWDZBQOSA-N 0 0 402.422 4.208 20 5 HIBDRN O=[N+]([O-])c1ccccc1/C=C/c1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1 ZINC000546543210 940848150 /nfs/dbraw/zinc/84/81/50/940848150.db2.gz HWDOESZQQQSYFG-CMDGGOBGSA-N 0 0 409.352 4.203 20 5 HIBDRN O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2ccc(Nc3ccc(Cl)cc3)cc2)no1 ZINC000546543874 940848155 /nfs/dbraw/zinc/84/81/55/940848155.db2.gz MUBKBNUGFLUKGQ-UHFFFAOYSA-N 0 0 423.816 4.252 20 5 HIBDRN Cc1cc(-c2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)ccc1[N+](=O)[O-] ZINC000546562569 940853840 /nfs/dbraw/zinc/85/38/40/940853840.db2.gz ZKPUMDBULDJQDQ-CQSZACIVSA-N 0 0 401.806 4.441 20 5 HIBDRN CCOc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc(Cl)c1O ZINC000546563645 940854484 /nfs/dbraw/zinc/85/44/84/940854484.db2.gz HFZQSAPZBJOAMU-SFHVURJKSA-N 0 0 408.863 4.240 20 5 HIBDRN Cc1cc(NC(=O)c2ncc(Br)cc2Br)ccc1[N+](=O)[O-] ZINC000546756363 940877915 /nfs/dbraw/zinc/87/79/15/940877915.db2.gz RYGAXUAFFIWVKB-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2c1cccc2C(F)(F)F ZINC000546774918 940880813 /nfs/dbraw/zinc/88/08/13/940880813.db2.gz PTWWHHHZJUOMPU-UHFFFAOYSA-N 0 0 402.332 4.002 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000546777586 940881428 /nfs/dbraw/zinc/88/14/28/940881428.db2.gz DHSFIKXJFVABGH-UHFFFAOYSA-N 0 0 410.442 4.148 20 5 HIBDRN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000564029511 945358418 /nfs/dbraw/zinc/35/84/18/945358418.db2.gz LHBDWXFVMORTCM-RHSMWYFYSA-N 0 0 409.845 4.324 20 5 HIBDRN COc1ccc(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1Cl ZINC000546889661 940902677 /nfs/dbraw/zinc/90/26/77/940902677.db2.gz KRGDFRRBGIJKTB-UHFFFAOYSA-N 0 0 402.712 4.097 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000546897559 940905400 /nfs/dbraw/zinc/90/54/00/940905400.db2.gz OLIICEMFTYQHSV-UHFFFAOYSA-N 0 0 416.319 4.132 20 5 HIBDRN CCCc1c(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cnn1-c1cc(C)ccn1 ZINC000546903234 940907175 /nfs/dbraw/zinc/90/71/75/940907175.db2.gz FPWBGERICCOGHE-UHFFFAOYSA-N 0 0 404.430 4.170 20 5 HIBDRN CN(C[C@H]1CCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000546935740 940918476 /nfs/dbraw/zinc/91/84/76/940918476.db2.gz TVQALDMVWUQQIH-APWZRJJASA-N 0 0 403.866 4.039 20 5 HIBDRN COc1ccc(Cl)cc1Cc1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000546941267 940920420 /nfs/dbraw/zinc/92/04/20/940920420.db2.gz DLPJVRRTEUTKQR-UHFFFAOYSA-N 0 0 412.789 4.151 20 5 HIBDRN Cc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)n2)cc1[N+](=O)[O-] ZINC000546983525 940938362 /nfs/dbraw/zinc/93/83/62/940938362.db2.gz GFJUZXLRWTVVQL-LBPRGKRZSA-N 0 0 416.796 4.266 20 5 HIBDRN COc1ccc(OCc2noc([C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000547031686 940967002 /nfs/dbraw/zinc/96/70/02/940967002.db2.gz DOFWKCZMMJOGFY-NSHDSACASA-N 0 0 405.794 4.359 20 5 HIBDRN CCc1nc(Cc2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)cs1 ZINC000547072681 940984192 /nfs/dbraw/zinc/98/41/92/940984192.db2.gz SBNSXYSIMUOUOF-UHFFFAOYSA-N 0 0 424.486 4.116 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccccc3-n3cccn3)no2)c1 ZINC000547079235 940986728 /nfs/dbraw/zinc/98/67/28/940986728.db2.gz TUUDGWBRYHERNI-UHFFFAOYSA-N 0 0 412.203 4.260 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1nc(-c2ccc(Oc3cccnc3)cc2)no1 ZINC000547079179 940986738 /nfs/dbraw/zinc/98/67/38/940986738.db2.gz QXOZNGUYLOPWGP-UHFFFAOYSA-N 0 0 403.398 4.487 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(Cc2cccc(OC(F)(F)F)c2)n1 ZINC000547089121 940991273 /nfs/dbraw/zinc/99/12/73/940991273.db2.gz LTWGEEFSCNCMLE-UHFFFAOYSA-N 0 0 408.336 4.122 20 5 HIBDRN C/C(=C/c1nc([C@H]2CN(Cc3ccccc3)CCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000547091504 940992085 /nfs/dbraw/zinc/99/20/85/940992085.db2.gz FPJMUPTWEVRRPE-QTXHJTIISA-N 0 0 406.442 4.112 20 5 HIBDRN Cc1cccn2cc(Cc3noc(-c4csc(-c5cccc([N+](=O)[O-])c5)n4)n3)nc12 ZINC000547097035 940994582 /nfs/dbraw/zinc/99/45/82/940994582.db2.gz 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NLADZOJXLWHVFH-QGZVFWFLSA-N 0 0 412.273 4.479 20 5 HIBDRN CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551323532 941452528 /nfs/dbraw/zinc/45/25/28/941452528.db2.gz CUKSRRJNDSHJJR-UHFFFAOYSA-N 0 0 404.488 4.111 20 5 HIBDRN O=c1cc(-c2nc(-c3cc(OC(F)F)ccc3F)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000551336824 941455430 /nfs/dbraw/zinc/45/54/30/941455430.db2.gz XMPBSORKAZROLM-UHFFFAOYSA-N 0 0 418.287 4.306 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000551376423 941464934 /nfs/dbraw/zinc/46/49/34/941464934.db2.gz ICSXSFSZVQHWJL-UHFFFAOYSA-N 0 0 417.462 4.164 20 5 HIBDRN Cc1cnc2c(c1)N(C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)CCO2 ZINC000551387393 941466952 /nfs/dbraw/zinc/46/69/52/941466952.db2.gz IHKJHGQEPLFQQP-UHFFFAOYSA-N 0 0 401.488 4.476 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551392159 941468091 /nfs/dbraw/zinc/46/80/91/941468091.db2.gz FQZMJAXZEMGBLI-UHFFFAOYSA-N 0 0 410.808 4.271 20 5 HIBDRN COc1cccc(-c2nc(-c3cccc(OCc4ccccc4)n3)no2)c1[N+](=O)[O-] ZINC000551470350 941486408 /nfs/dbraw/zinc/48/64/08/941486408.db2.gz PBQOHAPIEPIBRS-UHFFFAOYSA-N 0 0 404.382 4.294 20 5 HIBDRN COCC[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000551568840 941503534 /nfs/dbraw/zinc/50/35/34/941503534.db2.gz UQXBLBCQHLBXMY-INIZCTEOSA-N 0 0 412.273 4.479 20 5 HIBDRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000551631714 941515490 /nfs/dbraw/zinc/51/54/90/941515490.db2.gz LGWFWMIFTUFJGU-UHFFFAOYSA-N 0 0 407.829 4.302 20 5 HIBDRN Cc1c(CNC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)cccc1[N+](=O)[O-] ZINC000551655842 941519782 /nfs/dbraw/zinc/51/97/82/941519782.db2.gz ZXXAIZOWTKGGHD-UHFFFAOYSA-N 0 0 417.893 4.149 20 5 HIBDRN O=C(Cc1ccccc1OC(F)F)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551666796 941522103 /nfs/dbraw/zinc/52/21/03/941522103.db2.gz UYHBDJFPIUCZNE-UHFFFAOYSA-N 0 0 401.163 4.140 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000551697962 941528771 /nfs/dbraw/zinc/52/87/71/941528771.db2.gz GYAKPQZFRFEVPH-FQEVSTJZSA-N 0 0 405.376 4.158 20 5 HIBDRN CC(C)[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000551712125 941530954 /nfs/dbraw/zinc/53/09/54/941530954.db2.gz DIVZLDTZAGVJBB-IBGZPJMESA-N 0 0 415.465 4.483 20 5 HIBDRN COc1c(N[C@H](C)CCc2ccccc2[N+](=O)[O-])cc(Cl)cc1C(=O)N(C)C ZINC000551814236 941551130 /nfs/dbraw/zinc/55/11/30/941551130.db2.gz XAEYILQOJKTHNG-CYBMUJFWSA-N 0 0 405.882 4.392 20 5 HIBDRN CCc1cc(N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000552021986 941569332 /nfs/dbraw/zinc/56/93/32/941569332.db2.gz GTTHKRCPVQKKCR-OALUTQOASA-N 0 0 415.497 4.187 20 5 HIBDRN C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000552064095 941577646 /nfs/dbraw/zinc/57/76/46/941577646.db2.gz XJSTXDYETYBYPJ-AUUYWEPGSA-N 0 0 400.866 4.128 20 5 HIBDRN Cn1ccnc1[C@@H](NC[C@@H](c1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552066345 941578522 /nfs/dbraw/zinc/57/85/22/941578522.db2.gz GHXWDUBVPDUJOZ-ROUUACIJSA-N 0 0 404.392 4.353 20 5 HIBDRN CC(=O)c1cccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000552194248 941599598 /nfs/dbraw/zinc/59/95/98/941599598.db2.gz XMZOAMDDEJEQDL-OAHLLOKOSA-N 0 0 418.453 4.296 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccc(Br)cc2C1 ZINC000552346063 941639920 /nfs/dbraw/zinc/63/99/20/941639920.db2.gz WBGHCJSEAODGAF-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000552355964 941642511 /nfs/dbraw/zinc/64/25/11/941642511.db2.gz RUSGBSPRXVYWNC-IBGZPJMESA-N 0 0 406.438 4.063 20 5 HIBDRN COc1ccccc1O[C@H]1CCCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000552378605 941650234 /nfs/dbraw/zinc/65/02/34/941650234.db2.gz IJPAMGBFDUZQFS-AWEZNQCLSA-N 0 0 402.472 4.009 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000552413352 941663138 /nfs/dbraw/zinc/66/31/38/941663138.db2.gz YIULIIKMTFUJNZ-ZWKOTPCHSA-N 0 0 400.500 4.289 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2ccc(C)n2)cc1 ZINC000552473929 941680963 /nfs/dbraw/zinc/68/09/63/941680963.db2.gz HSOTZIXRFWFYHH-UHFFFAOYSA-N 0 0 412.471 4.080 20 5 HIBDRN COc1ccc2nc(C3CC3)cc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c2c1 ZINC000552606917 941720551 /nfs/dbraw/zinc/72/05/51/941720551.db2.gz JDOFMIPYDHGACE-UHFFFAOYSA-N 0 0 405.454 4.344 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000552643528 941729256 /nfs/dbraw/zinc/72/92/56/941729256.db2.gz BBSXKETZNLVXCI-ZDUSSCGKSA-N 0 0 410.373 4.095 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(F)(c2cccnc2)CC1 ZINC000552673954 941734281 /nfs/dbraw/zinc/73/42/81/941734281.db2.gz MOLKRPJRAOVUCX-UHFFFAOYSA-N 0 0 401.441 4.177 20 5 HIBDRN CCOC1CC2(C1)CCN(C(=O)c1ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c1)C2 ZINC000552707998 941741958 /nfs/dbraw/zinc/74/19/58/941741958.db2.gz OLJJJLQWZYHIIF-UIRKKDGMSA-N 0 0 415.534 4.108 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(C)n1-c1nccs1 ZINC000552743013 941750149 /nfs/dbraw/zinc/75/01/49/941750149.db2.gz FPHCBDWDTPOBPW-UHFFFAOYSA-N 0 0 421.276 4.474 20 5 HIBDRN Cc1c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cnn1Cc1ccccc1 ZINC000552746191 941751268 /nfs/dbraw/zinc/75/12/68/941751268.db2.gz BSPWQNKGPBBFNI-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000552795054 941766377 /nfs/dbraw/zinc/76/63/77/941766377.db2.gz DZGBZJBJXXORPG-LJQANCHMSA-N 0 0 404.369 4.026 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552960052 941808903 /nfs/dbraw/zinc/80/89/03/941808903.db2.gz BTVJMUFQLQQAFX-VWPQPMDRSA-N 0 0 402.454 4.189 20 5 HIBDRN O=C(c1c(F)cc(F)cc1F)C1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553103592 941833489 /nfs/dbraw/zinc/83/34/89/941833489.db2.gz QZUPCMHFUYTIND-UHFFFAOYSA-N 0 0 422.388 4.116 20 5 HIBDRN CC(C)(NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000553107878 941834319 /nfs/dbraw/zinc/83/43/19/941834319.db2.gz ODBDPKUFLIXPMD-ROUUACIJSA-N 0 0 421.856 4.452 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cn1)N1c2ccc(Br)cc2[C@@H]2CCCC[C@@H]21 ZINC000553110445 941834358 /nfs/dbraw/zinc/83/43/58/941834358.db2.gz AOMLSVPUYKULDE-BBRMVZONSA-N 0 0 402.248 4.439 20 5 HIBDRN COC(=O)c1cc(C)nc(Oc2cc(Br)ccc2Cl)c1[N+](=O)[O-] ZINC000553160443 941842577 /nfs/dbraw/zinc/84/25/77/941842577.db2.gz NFSOAMCJQVHQCK-UHFFFAOYSA-N 0 0 401.600 4.293 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1OC ZINC000553165144 941842951 /nfs/dbraw/zinc/84/29/51/941842951.db2.gz LOAWNTCKYZSXKY-UHFFFAOYSA-N 0 0 424.438 4.469 20 5 HIBDRN COC(=O)c1cc(C)nc(Oc2ccc(Cl)cc2Br)c1[N+](=O)[O-] ZINC000553236781 941854527 /nfs/dbraw/zinc/85/45/27/941854527.db2.gz BPYXCGCXGKWTMQ-UHFFFAOYSA-N 0 0 401.600 4.293 20 5 HIBDRN CCOc1ccc([C@@H](C)Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1OCC ZINC000553249331 941856293 /nfs/dbraw/zinc/85/62/93/941856293.db2.gz FHRAKHCBTSCLKJ-CYBMUJFWSA-N 0 0 403.435 4.055 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[S@](C)=O)cc1 ZINC000553403522 941879870 /nfs/dbraw/zinc/87/98/70/941879870.db2.gz QQWRUFPCNFNCHQ-NDEPHWFRSA-N 0 0 420.556 4.296 20 5 HIBDRN COc1ccc(CN(CC2CC2)c2ncnc3sc([N+](=O)[O-])cc32)c(OC)c1 ZINC000553589070 941914887 /nfs/dbraw/zinc/91/48/87/941914887.db2.gz GJFFRAXVNKEFBI-UHFFFAOYSA-N 0 0 400.460 4.033 20 5 HIBDRN CC(C)(NC(=O)Cc1cccc(OCc2cccnc2)c1)c1ccccc1[N+](=O)[O-] ZINC000553726851 941953914 /nfs/dbraw/zinc/95/39/14/941953914.db2.gz NTQVXOPZFYKXED-UHFFFAOYSA-N 0 0 405.454 4.163 20 5 HIBDRN COC(=O)c1cc(C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000553779358 941966579 /nfs/dbraw/zinc/96/65/79/941966579.db2.gz DFBMNDQQELOTJZ-LBPRGKRZSA-N 0 0 424.375 4.103 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccccc2F)C1 ZINC000553962987 942008520 /nfs/dbraw/zinc/00/85/20/942008520.db2.gz SKICZQYQXKQVSF-AWEZNQCLSA-N 0 0 403.479 4.245 20 5 HIBDRN Cc1ccc(NCCCNC(=O)[C@@H](C)Cc2cncc3ccccc32)c([N+](=O)[O-])c1 ZINC000554003698 942017740 /nfs/dbraw/zinc/01/77/40/942017740.db2.gz DTBHDOLUIFICEB-KRWDZBQOSA-N 0 0 406.486 4.248 20 5 HIBDRN CC(C)SCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000554021963 942020650 /nfs/dbraw/zinc/02/06/50/942020650.db2.gz QTDUISJNICDLFW-UHFFFAOYSA-N 0 0 419.469 4.088 20 5 HIBDRN COc1cc(C(=O)N[C@H]2C[C@@H]2C(F)F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000554045813 942025009 /nfs/dbraw/zinc/02/50/09/942025009.db2.gz BZDSNADJOQUUCS-RYUDHWBXSA-N 0 0 412.776 4.433 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000554062940 942028116 /nfs/dbraw/zinc/02/81/16/942028116.db2.gz XWWDPOWCOFSKSL-CQSZACIVSA-N 0 0 414.245 4.155 20 5 HIBDRN Cc1c(CNC(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000554124255 942042234 /nfs/dbraw/zinc/04/22/34/942042234.db2.gz PNWYATRRAGLYEB-UHFFFAOYSA-N 0 0 411.380 4.186 20 5 HIBDRN COc1ccc(CC(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000554126482 942042863 /nfs/dbraw/zinc/04/28/63/942042863.db2.gz CIDJUOYWFSBJPC-ZDUSSCGKSA-N 0 0 410.392 4.254 20 5 HIBDRN O=C(NC1(Cc2ccccc2Br)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000554132239 942045152 /nfs/dbraw/zinc/04/51/52/942045152.db2.gz NQKBNLDPBWWNQN-UHFFFAOYSA-N 0 0 414.259 4.344 20 5 HIBDRN CSC[C@@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000554278747 942088623 /nfs/dbraw/zinc/08/86/23/942088623.db2.gz VTPYEKFNDQAYBG-GFCCVEGCSA-N 0 0 405.442 4.017 20 5 HIBDRN Cc1c2ccccc2oc1[C@@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000554316190 942101977 /nfs/dbraw/zinc/10/19/77/942101977.db2.gz YLTHWPGXZCTHKL-FQEVSTJZSA-N 0 0 423.469 4.088 20 5 HIBDRN C[C@@H](CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)CO)c1ccccc1 ZINC000554406117 942129942 /nfs/dbraw/zinc/12/99/42/942129942.db2.gz XLWXROVLQCFHLB-KBPBESRZSA-N 0 0 423.416 4.215 20 5 HIBDRN CCc1ccc([C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)cc1 ZINC000554411375 942131754 /nfs/dbraw/zinc/13/17/54/942131754.db2.gz FGLXPOFWPKFNJK-NRFANRHFSA-N 0 0 407.514 4.390 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(C2CCOCC2)CC1 ZINC000554615252 942175633 /nfs/dbraw/zinc/17/56/33/942175633.db2.gz IXGBAPVIKORDAR-UHFFFAOYSA-N 0 0 423.513 4.486 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NC[C@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000554688436 942199795 /nfs/dbraw/zinc/19/97/95/942199795.db2.gz LOUURSGKTQIZPU-CQSZACIVSA-N 0 0 414.483 4.168 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NC[C@@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000554688435 942199930 /nfs/dbraw/zinc/19/99/30/942199930.db2.gz LOUURSGKTQIZPU-AWEZNQCLSA-N 0 0 414.483 4.168 20 5 HIBDRN NC(=O)c1ccc(CSCc2cc(F)c(C(F)(F)F)cc2F)c([N+](=O)[O-])c1 ZINC000554712661 942208093 /nfs/dbraw/zinc/20/80/93/942208093.db2.gz DVOVKGJYYGVGSW-UHFFFAOYSA-N 0 0 406.332 4.424 20 5 HIBDRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000554735721 942215678 /nfs/dbraw/zinc/21/56/78/942215678.db2.gz YMMZHMLMCJDJPI-CQSZACIVSA-N 0 0 420.473 4.073 20 5 HIBDRN C[C@@H]1C[C@@H](CCNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000554739301 942216867 /nfs/dbraw/zinc/21/68/67/942216867.db2.gz XBAXQMWZRNBICG-CVEARBPZSA-N 0 0 419.503 4.013 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2n[nH]c(-c3ccccc3)n2)no1 ZINC000554808399 942251667 /nfs/dbraw/zinc/25/16/67/942251667.db2.gz PPXAZOFHXZKOQO-HNNXBMFYSA-N 0 0 404.430 4.090 20 5 HIBDRN C[C@H](c1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1)c1cccc([N+](=O)[O-])c1 ZINC000554816445 942258358 /nfs/dbraw/zinc/25/83/58/942258358.db2.gz JXFJDKORUWUJEN-LBPRGKRZSA-N 0 0 411.368 4.184 20 5 HIBDRN Cc1c(NC(=O)N2CCOc3ccc(Br)cc3C2)cccc1[N+](=O)[O-] ZINC000554863398 942297711 /nfs/dbraw/zinc/29/77/11/942297711.db2.gz JAPDHLFCRPVJRZ-UHFFFAOYSA-N 0 0 406.236 4.092 20 5 HIBDRN O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000554984974 942343119 /nfs/dbraw/zinc/34/31/19/942343119.db2.gz IHGOGUYVSAFVDM-UHFFFAOYSA-N 0 0 401.394 4.092 20 5 HIBDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555001831 942351318 /nfs/dbraw/zinc/35/13/18/942351318.db2.gz OYAUQBYNKCUSNO-UHFFFAOYSA-N 0 0 404.291 4.487 20 5 HIBDRN CCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000555015304 942357370 /nfs/dbraw/zinc/35/73/70/942357370.db2.gz BMQVSLUJMTYBAT-UHFFFAOYSA-N 0 0 416.279 4.272 20 5 HIBDRN CCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000555022459 942360789 /nfs/dbraw/zinc/36/07/89/942360789.db2.gz UPGGSACTUZMZKW-UHFFFAOYSA-N 0 0 401.854 4.075 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1 ZINC000555051768 942370909 /nfs/dbraw/zinc/37/09/09/942370909.db2.gz RHHYSFLXRZLBJQ-GOSISDBHSA-N 0 0 424.375 4.226 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000555095834 942384403 /nfs/dbraw/zinc/38/44/03/942384403.db2.gz AWEHNJIIIWYUHY-UHFFFAOYSA-N 0 0 417.473 4.134 20 5 HIBDRN C[C@@H](c1c(F)cccc1F)N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000555218267 942434406 /nfs/dbraw/zinc/43/44/06/942434406.db2.gz KGJQIMYWHFGAQC-LBPRGKRZSA-N 0 0 402.401 4.299 20 5 HIBDRN COC(=O)c1csc(Sc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])n1 ZINC000555252266 942446676 /nfs/dbraw/zinc/44/66/76/942446676.db2.gz OQPWNIUMMXUTER-UHFFFAOYSA-N 0 0 415.321 4.038 20 5 HIBDRN CN(C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000555333705 942480583 /nfs/dbraw/zinc/48/05/83/942480583.db2.gz GTWDKKSAWGLRDR-KRWDZBQOSA-N 0 0 422.268 4.169 20 5 HIBDRN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000555417030 942522774 /nfs/dbraw/zinc/52/27/74/942522774.db2.gz PUUZBSOEPCLVCO-UHFFFAOYSA-N 0 0 413.522 4.013 20 5 HIBDRN CC(C)(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)CC1 ZINC000555475387 942577137 /nfs/dbraw/zinc/57/71/37/942577137.db2.gz NOPVICHHEDISAU-INIZCTEOSA-N 0 0 413.522 4.152 20 5 HIBDRN CC(C)C1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCCO2)CC1 ZINC000555490931 942593633 /nfs/dbraw/zinc/59/36/33/942593633.db2.gz HNJIXGNYRMIHPH-HXUWFJFHSA-N 0 0 413.522 4.295 20 5 HIBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000555523881 942624160 /nfs/dbraw/zinc/62/41/60/942624160.db2.gz IQGBKYXIDKVHMP-UHFFFAOYSA-N 0 0 405.382 4.469 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1OC[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000555564370 942644338 /nfs/dbraw/zinc/64/43/38/942644338.db2.gz HECQBXPPNASDPA-XUZZJYLKSA-N 0 0 423.465 4.458 20 5 HIBDRN CC(=O)c1ccc(OC[C@H](O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000555580893 942652620 /nfs/dbraw/zinc/65/26/20/942652620.db2.gz MAGDTLYTNOBEPU-NRFANRHFSA-N 0 0 421.449 4.207 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000555817666 942743765 /nfs/dbraw/zinc/74/37/65/942743765.db2.gz RULHVZNEIZWTCY-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1c(NC(=O)N2CCC(OC(C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000555848296 942751962 /nfs/dbraw/zinc/75/19/62/942751962.db2.gz OUBZZGFBYNJUEI-UHFFFAOYSA-N 0 0 400.273 4.087 20 5 HIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cc(Cl)cc(F)c1Br ZINC000555850475 942752872 /nfs/dbraw/zinc/75/28/72/942752872.db2.gz HJLIIKIWYQIUOO-UHFFFAOYSA-N 0 0 424.613 4.950 20 5 HIBDRN COc1ccnc2c(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)cccc12 ZINC000555927832 942772985 /nfs/dbraw/zinc/77/29/85/942772985.db2.gz FNSGGLUHMUSJJQ-UHFFFAOYSA-N 0 0 416.231 4.475 20 5 HIBDRN CC(C)n1c(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)nc2ccccc21 ZINC000556255727 942826811 /nfs/dbraw/zinc/82/68/11/942826811.db2.gz QARYWUNCHMHUDF-UHFFFAOYSA-N 0 0 406.364 4.474 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3ccncc3N3CCCC3)no2)c1 ZINC000556309358 942838329 /nfs/dbraw/zinc/83/83/29/942838329.db2.gz YGMLKOOWUYSPRQ-UHFFFAOYSA-N 0 0 405.336 4.326 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000556463606 942875488 /nfs/dbraw/zinc/87/54/88/942875488.db2.gz YWBVKCDQEZPJJN-LJQANCHMSA-N 0 0 411.458 4.262 20 5 HIBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(C)c(OC)c1 ZINC000556476350 942879910 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BMOBXSRDMPCMKK-HKUYNNGSSA-N 0 0 409.486 4.283 20 5 HIBDRN CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1cc(Cl)cc(C(N)=O)c1OC ZINC000556611713 942915268 /nfs/dbraw/zinc/91/52/68/942915268.db2.gz UOQCFSQRCMNHRT-LBPRGKRZSA-N 0 0 409.895 4.339 20 5 HIBDRN Cn1ccnc1[C@H](NCCOc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000556865233 942943074 /nfs/dbraw/zinc/94/30/74/942943074.db2.gz MHWRDOJMHWSKMV-GOSISDBHSA-N 0 0 421.284 4.393 20 5 HIBDRN C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000556885891 942951100 /nfs/dbraw/zinc/95/11/00/942951100.db2.gz IWMJARQGXOSHSY-LIRRHRJNSA-N 0 0 400.866 4.128 20 5 HIBDRN Cn1ccnc1[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000556896518 942957131 /nfs/dbraw/zinc/95/71/31/942957131.db2.gz ZLOOQTYWUZJADY-RTWAWAEBSA-N 0 0 408.458 4.088 20 5 HIBDRN CC(C)n1cnnc1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000556929178 942970622 /nfs/dbraw/zinc/97/06/22/942970622.db2.gz ZQKZDWDTPQEYSP-UHFFFAOYSA-N 0 0 415.837 4.143 20 5 HIBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1c(F)cccc1Sc1ccccc1 ZINC000556955573 942979365 /nfs/dbraw/zinc/97/93/65/942979365.db2.gz VSNZNCYYOYQGSC-UHFFFAOYSA-N 0 0 408.414 5.014 20 5 HIBDRN O=C(NCC1(c2ccc(Br)s2)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000557072276 943012276 /nfs/dbraw/zinc/01/22/76/943012276.db2.gz NHFIDWQRCYJJFC-UHFFFAOYSA-N 0 0 413.268 4.410 20 5 HIBDRN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1OCCc2sccc21 ZINC000557075079 943013447 /nfs/dbraw/zinc/01/34/47/943013447.db2.gz ZCUDVVBELQARDI-IZHWHUGBSA-N 0 0 418.518 4.035 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000557078492 943015088 /nfs/dbraw/zinc/01/50/88/943015088.db2.gz DOQSUIAOGAUQJT-OAHLLOKOSA-N 0 0 408.376 4.399 20 5 HIBDRN COc1cccc(OC(F)(F)F)c1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000557129942 943026372 /nfs/dbraw/zinc/02/63/72/943026372.db2.gz CEWUBWVSOURYNM-UHFFFAOYSA-N 0 0 416.377 4.154 20 5 HIBDRN O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000557165385 943036732 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4.293 20 5 HIBDRN CCOC(=O)c1ccnc(NCc2cccc(OC)c2OC2CCCC2)c1[N+](=O)[O-] ZINC000557523542 943189822 /nfs/dbraw/zinc/18/98/22/943189822.db2.gz YFHYOBBOHJQPPP-UHFFFAOYSA-N 0 0 415.446 4.109 20 5 HIBDRN CC(=O)c1cc(N2CCO[C@H](c3cccc(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000557534197 943195967 /nfs/dbraw/zinc/19/59/67/943195967.db2.gz JISKLUOQGJWRSF-SFHVURJKSA-N 0 0 405.248 4.138 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000557547520 943202318 /nfs/dbraw/zinc/20/23/18/943202318.db2.gz PPNDMOWLGOSMTL-HNNXBMFYSA-N 0 0 402.472 4.055 20 5 HIBDRN CC(=O)c1cc(N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)ccc1[N+](=O)[O-] ZINC000557565819 943212276 /nfs/dbraw/zinc/21/22/76/943212276.db2.gz CCMGTJKOHACEKI-OAHLLOKOSA-N 0 0 410.405 4.371 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000557579486 943217570 /nfs/dbraw/zinc/21/75/70/943217570.db2.gz BGKHDQQNBUHCFA-TXUMCGTDSA-N 0 0 418.540 4.118 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000557634150 943241764 /nfs/dbraw/zinc/24/17/64/943241764.db2.gz VRIYZLLGDQGZBW-UHFFFAOYSA-N 0 0 416.286 4.054 20 5 HIBDRN O=C(Nc1nc(C2CCOCC2)cs1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000557719443 943268433 /nfs/dbraw/zinc/26/84/33/943268433.db2.gz CDDCQTAUYFBYQO-UHFFFAOYSA-N 0 0 401.366 4.216 20 5 HIBDRN C[S@](=O)Cc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 ZINC000557752650 943278919 /nfs/dbraw/zinc/27/89/19/943278919.db2.gz HSLBCXRLVDRRMU-NDEPHWFRSA-N 0 0 423.363 4.135 20 5 HIBDRN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000557762920 943283777 /nfs/dbraw/zinc/28/37/77/943283777.db2.gz XKCUODRKILLAFX-ACJLOTCBSA-N 0 0 408.376 4.145 20 5 HIBDRN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000557779738 943289398 /nfs/dbraw/zinc/28/93/98/943289398.db2.gz VSIVBKMHYWSXLI-JENIJYKNSA-N 0 0 400.500 4.154 20 5 HIBDRN COCCC[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000557804273 943296405 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401.410 4.434 20 5 HIBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@@H](NC(=O)c2ccccc2)C2CC2)no1 ZINC000558395557 943547079 /nfs/dbraw/zinc/54/70/79/943547079.db2.gz VHWNNKZDROZIFF-KQDNUWKFSA-N 0 0 404.426 4.419 20 5 HIBDRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000558425946 943557046 /nfs/dbraw/zinc/55/70/46/943557046.db2.gz DFZICCVTDMYZGQ-LBPRGKRZSA-N 0 0 413.783 4.276 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000558514488 943583797 /nfs/dbraw/zinc/58/37/97/943583797.db2.gz LDOZMJPIARFUFS-UHFFFAOYSA-N 0 0 419.441 4.126 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000558514949 943584073 /nfs/dbraw/zinc/58/40/73/943584073.db2.gz IUHSWMQRUMLIIG-UHFFFAOYSA-N 0 0 420.263 4.346 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000558535949 943591577 /nfs/dbraw/zinc/59/15/77/943591577.db2.gz JAXFBCZANXKBTI-KGLIPLIRSA-N 0 0 417.893 4.400 20 5 HIBDRN 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ZINC000558805086 943670948 /nfs/dbraw/zinc/67/09/48/943670948.db2.gz DVLGBSUDAOCATE-OAHLLOKOSA-N 0 0 401.463 4.132 20 5 HIBDRN COc1cc(C(=O)NCC2CC(c3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000558816803 943676311 /nfs/dbraw/zinc/67/63/11/943676311.db2.gz RRNRIGBOQYXCDD-UHFFFAOYSA-N 0 0 406.385 4.128 20 5 HIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000558912078 943743230 /nfs/dbraw/zinc/74/32/30/943743230.db2.gz FTKDGZCLGZZHEW-MRXNPFEDSA-N 0 0 407.474 4.034 20 5 HIBDRN CCS(=O)(=O)c1cccc(CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000558945385 943764833 /nfs/dbraw/zinc/76/48/33/943764833.db2.gz JWJNULVTWZQOKN-UHFFFAOYSA-N 0 0 402.394 4.328 20 5 HIBDRN CC[C@H](C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CC(C)C ZINC000559077787 943828111 /nfs/dbraw/zinc/82/81/11/943828111.db2.gz XJAOYXRVKHUVSU-INIZCTEOSA-N 0 0 401.511 4.404 20 5 HIBDRN CN(Cc1cscn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1 ZINC000559105728 943842215 /nfs/dbraw/zinc/84/22/15/943842215.db2.gz 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846318745 /nfs/dbraw/zinc/31/87/45/846318745.db2.gz QWDGDZFVGWXTRX-UHFFFAOYSA-N 0 0 418.862 4.071 20 5 HIBDRN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000018424522 846325544 /nfs/dbraw/zinc/32/55/44/846325544.db2.gz PABNGTMLYCWDEL-UHFFFAOYSA-N 0 0 422.485 4.036 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)sc2Cl)c([N+](=O)[O-])c1 ZINC000018582825 846333823 /nfs/dbraw/zinc/33/38/23/846333823.db2.gz FASMSSGHASWCLC-SSDOTTSWSA-N 0 0 419.242 4.156 20 5 HIBDRN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000018703024 846337876 /nfs/dbraw/zinc/33/78/76/846337876.db2.gz DQXYEJBSZRQMQZ-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000019161515 846354823 /nfs/dbraw/zinc/35/48/23/846354823.db2.gz VBHMPDYKBUPNJD-HOTGVXAUSA-N 0 0 411.458 4.015 20 5 HIBDRN CC(C)Cc1ccc(CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000019419250 846365729 /nfs/dbraw/zinc/36/57/29/846365729.db2.gz 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Cc1c(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000021186834 846414667 /nfs/dbraw/zinc/41/46/67/846414667.db2.gz PNGYSSLHNPUUBZ-HXUWFJFHSA-N 0 0 403.438 4.403 20 5 HIBDRN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000021283776 846423705 /nfs/dbraw/zinc/42/37/05/846423705.db2.gz WHNSWHYQXQPZJJ-UHFFFAOYSA-N 0 0 422.437 4.196 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nccn1-c1cccc(Cl)c1 ZINC000021422020 846441574 /nfs/dbraw/zinc/44/15/74/846441574.db2.gz PMFBCTKJPOEFHK-UHFFFAOYSA-N 0 0 402.863 4.473 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021441414 846445474 /nfs/dbraw/zinc/44/54/74/846445474.db2.gz KDTGOWKAUFZCRG-UHFFFAOYSA-N 0 0 408.380 4.172 20 5 HIBDRN CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000021545783 846460532 /nfs/dbraw/zinc/46/05/32/846460532.db2.gz KPVJPBIWHZKHNO-LBPRGKRZSA-N 0 0 414.443 4.163 20 5 HIBDRN COc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)c([N+](=O)[O-])c1 ZINC000021609314 846471461 /nfs/dbraw/zinc/47/14/61/846471461.db2.gz KVAPYGNKDAUSQL-UHFFFAOYSA-N 0 0 412.471 4.137 20 5 HIBDRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021676300 846481946 /nfs/dbraw/zinc/48/19/46/846481946.db2.gz FIXYNJPOLUEAPK-SNVBAGLBSA-N 0 0 412.826 4.050 20 5 HIBDRN C[C@@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021688629 846483331 /nfs/dbraw/zinc/48/33/31/846483331.db2.gz CGDMLRMFUOUGCA-SECBINFHSA-N 0 0 421.841 4.292 20 5 HIBDRN C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021689957 846484367 /nfs/dbraw/zinc/48/43/67/846484367.db2.gz ATWREPGGDPIFHG-LLVKDONJSA-N 0 0 401.473 4.309 20 5 HIBDRN CCOCCCNC(=O)[C@H](C)Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000021767960 846493694 /nfs/dbraw/zinc/49/36/94/846493694.db2.gz ZAXSZPRMPCEHRU-HNNXBMFYSA-N 0 0 408.527 4.059 20 5 HIBDRN Cc1ccnc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000021893222 846506813 /nfs/dbraw/zinc/50/68/13/846506813.db2.gz FSFFYDALQDLOCD-UHFFFAOYSA-N 0 0 413.437 4.332 20 5 HIBDRN CCOc1ccc(-c2nc(COC(=O)c3cccc([N+](=O)[O-])c3)cs2)cc1OC ZINC000022139364 846535522 /nfs/dbraw/zinc/53/55/22/846535522.db2.gz BTBIUCNWYIHGTC-UHFFFAOYSA-N 0 0 414.439 4.483 20 5 HIBDRN CSc1ccc(C(=O)O[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000022162511 846538801 /nfs/dbraw/zinc/53/88/01/846538801.db2.gz GDUPZRNKQHSAHM-KBPBESRZSA-N 0 0 414.483 4.230 20 5 HIBDRN CSc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC000022160959 846539009 /nfs/dbraw/zinc/53/90/09/846539009.db2.gz WWFMJNDVTATVRQ-NSHDSACASA-N 0 0 406.485 4.223 20 5 HIBDRN COc1cc2nc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)sc2cc1OC ZINC000022284165 846552882 /nfs/dbraw/zinc/55/28/82/846552882.db2.gz SOGNYGWQXQFXRL-UHFFFAOYSA-N 0 0 414.443 4.048 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000022469811 846575234 /nfs/dbraw/zinc/57/52/34/846575234.db2.gz IDZFHZQJFCFKBN-CHWSQXEVSA-N 0 0 402.834 4.161 20 5 HIBDRN CCNc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(CC)cccc2CC)cc1[N+](=O)[O-] ZINC000022486569 846577270 /nfs/dbraw/zinc/57/72/70/846577270.db2.gz FRXHUUXBXLBOMH-CQSZACIVSA-N 0 0 413.474 4.335 20 5 HIBDRN CCNc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000022486655 846577316 /nfs/dbraw/zinc/57/73/16/846577316.db2.gz RABYMPKIFBCRIA-STQMWFEESA-N 0 0 419.865 4.103 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1c2ccccc2CC[C@@H]1C ZINC000022548189 846584653 /nfs/dbraw/zinc/58/46/53/846584653.db2.gz AVXZZHHZSXQABF-QWHCGFSZSA-N 0 0 402.834 4.161 20 5 HIBDRN CC[C@@H](NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000022792261 846620426 /nfs/dbraw/zinc/62/04/26/846620426.db2.gz GJUMWHWHMMALNX-OAHLLOKOSA-N 0 0 411.241 4.326 20 5 HIBDRN Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1Cc1ccco1 ZINC000022837249 846627543 /nfs/dbraw/zinc/62/75/43/846627543.db2.gz OOBQBPQBFWSGHO-ZDUSSCGKSA-N 0 0 402.428 4.144 20 5 HIBDRN COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000022907782 846636766 /nfs/dbraw/zinc/63/67/66/846636766.db2.gz QTHZIEWPBQFPNH-GJZGRUSLSA-N 0 0 422.437 4.179 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000022920331 846637425 /nfs/dbraw/zinc/63/74/25/846637425.db2.gz WUCDYLGFWJCPHM-UHFFFAOYSA-N 0 0 415.452 4.178 20 5 HIBDRN C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 ZINC000022941140 846639946 /nfs/dbraw/zinc/63/99/46/846639946.db2.gz WVMCVJABQNZZNB-KRWDZBQOSA-N 0 0 418.449 4.299 20 5 HIBDRN CCOc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000023083246 846658313 /nfs/dbraw/zinc/65/83/13/846658313.db2.gz SRQKJKSYVJIVPQ-UHFFFAOYSA-N 0 0 412.471 4.218 20 5 HIBDRN CCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000023207601 846669426 /nfs/dbraw/zinc/66/94/26/846669426.db2.gz NOILRECPHHEJJE-HNNXBMFYSA-N 0 0 400.431 4.266 20 5 HIBDRN C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000023214167 846671178 /nfs/dbraw/zinc/67/11/78/846671178.db2.gz VEVGIHNRWGMIPP-BXUZGUMPSA-N 0 0 415.496 4.325 20 5 HIBDRN COC(=O)c1ccccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000023380500 846691144 /nfs/dbraw/zinc/69/11/44/846691144.db2.gz XZBKNNWLJYBSQH-UHFFFAOYSA-N 0 0 420.425 4.176 20 5 HIBDRN CNc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC000023388800 846693649 /nfs/dbraw/zinc/69/36/49/846693649.db2.gz GMTQOEONKFTFJM-OAQYLSRUSA-N 0 0 401.426 4.032 20 5 HIBDRN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)n1C(C)C ZINC000023641151 846734704 /nfs/dbraw/zinc/73/47/04/846734704.db2.gz ATEVMYZWIPFWDN-CYBMUJFWSA-N 0 0 407.854 4.431 20 5 HIBDRN CN(Cc1ccc(Br)cc1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000023786602 846750221 /nfs/dbraw/zinc/75/02/21/846750221.db2.gz FMWVAYLKQJDQFG-UHFFFAOYSA-N 0 0 406.280 4.208 20 5 HIBDRN Cn1ccc(C(=O)COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 ZINC000023895502 846756634 /nfs/dbraw/zinc/75/66/34/846756634.db2.gz BPEBUGQHFILDFI-UHFFFAOYSA-N 0 0 414.801 4.419 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000024084474 846786816 /nfs/dbraw/zinc/78/68/16/846786816.db2.gz NMBIXSVOEAKEBB-CQSZACIVSA-N 0 0 415.423 4.080 20 5 HIBDRN O=C(COC(=O)CCc1ccc(-c2ccccc2)o1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000024209049 846801560 /nfs/dbraw/zinc/80/15/60/846801560.db2.gz SXICNRHJXHTJFF-UHFFFAOYSA-N 0 0 412.373 4.108 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC000024222230 846804056 /nfs/dbraw/zinc/80/40/56/846804056.db2.gz KADSQLMHBOXPFY-UHFFFAOYSA-N 0 0 401.806 4.108 20 5 HIBDRN CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000024652153 846849962 /nfs/dbraw/zinc/84/99/62/846849962.db2.gz WZJZKWJHJMGNFJ-INIZCTEOSA-N 0 0 415.515 4.261 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(-c4nnco4)c3)cc2[N+](=O)[O-])C1 ZINC000024743376 846861957 /nfs/dbraw/zinc/86/19/57/846861957.db2.gz CRELGVAYSVXYBR-AWEZNQCLSA-N 0 0 407.430 4.133 20 5 HIBDRN Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000024769022 846865279 /nfs/dbraw/zinc/86/52/79/846865279.db2.gz SHUPUHIABNOBKM-FQEVSTJZSA-N 0 0 423.469 4.126 20 5 HIBDRN O=C(CSc1nccn1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000024795489 846868127 /nfs/dbraw/zinc/86/81/27/846868127.db2.gz XDFAFAQOMRVCJK-UHFFFAOYSA-N 0 0 402.863 4.224 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000024829885 846874839 /nfs/dbraw/zinc/87/48/39/846874839.db2.gz OGUKDDSVYMCAPW-UHFFFAOYSA-N 0 0 415.496 4.391 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(C)c2nc3cccc(Cl)c3s2)cc([N+](=O)[O-])c1 ZINC000436386926 861729820 /nfs/dbraw/zinc/72/98/20/861729820.db2.gz KNOFDHFGYCZDPO-UHFFFAOYSA-N 0 0 419.846 4.311 20 5 HIBDRN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000024945156 846894687 /nfs/dbraw/zinc/89/46/87/846894687.db2.gz FPRBZOBBJQCBDU-UHFFFAOYSA-N 0 0 422.485 4.180 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000436392895 861735587 /nfs/dbraw/zinc/73/55/87/861735587.db2.gz CSTVFVNNEXWSLD-UHFFFAOYSA-N 0 0 418.379 4.178 20 5 HIBDRN O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1cc([N+](=O)[O-])ccc1F ZINC000025214704 846941658 /nfs/dbraw/zinc/94/16/58/846941658.db2.gz WSBNUZFXUOARSM-UHFFFAOYSA-N 0 0 422.488 4.441 20 5 HIBDRN CCOc1ccc(C(=O)OCC(=O)N[C@@H](CC)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000025386757 846971525 /nfs/dbraw/zinc/97/15/25/846971525.db2.gz NFHMACZSGBXHSV-INIZCTEOSA-N 0 0 420.849 4.071 20 5 HIBDRN CCc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 ZINC000025378600 846971623 /nfs/dbraw/zinc/97/16/23/846971623.db2.gz JYSAIYMAUYKMIE-UHFFFAOYSA-N 0 0 413.421 4.200 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cc(F)ccc1OCC(F)(F)F ZINC000025473158 846984323 /nfs/dbraw/zinc/98/43/23/846984323.db2.gz OSFJQTSJLDPYBW-UHFFFAOYSA-N 0 0 401.316 4.034 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000025873851 847050386 /nfs/dbraw/zinc/05/03/86/847050386.db2.gz UKLKBOYHLNBJAE-IBGZPJMESA-N 0 0 417.874 4.020 20 5 HIBDRN COc1ccc2c(C)c(CCC(=O)O[C@@H](C)c3cccc([N+](=O)[O-])c3)c(=O)oc2c1 ZINC000026089180 847081380 /nfs/dbraw/zinc/08/13/80/847081380.db2.gz IMLIJUGUEWNYCK-AWEZNQCLSA-N 0 0 411.410 4.255 20 5 HIBDRN COc1cccc(NC(=O)[C@@H](OC(=O)c2c(C)cccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000026114507 847087996 /nfs/dbraw/zinc/08/79/96/847087996.db2.gz RSMQNSRHXQHFIU-NRFANRHFSA-N 0 0 420.421 4.449 20 5 HIBDRN Cc1cc(C(=O)COC(=O)c2c(C)cccc2[N+](=O)[O-])c(C)n1Cc1cccs1 ZINC000026115957 847089351 /nfs/dbraw/zinc/08/93/51/847089351.db2.gz FSRZZLMCNXTRON-UHFFFAOYSA-N 0 0 412.467 4.471 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc(-c2ccc(F)cc2)o1 ZINC000026153356 847095905 /nfs/dbraw/zinc/09/59/05/847095905.db2.gz SVMZENKPIVTFAV-UHFFFAOYSA-N 0 0 402.407 4.213 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nc2cc(Cl)ccc2[nH]1 ZINC000026251255 847112111 /nfs/dbraw/zinc/11/21/11/847112111.db2.gz JWUDZRGSBCNZMV-UHFFFAOYSA-N 0 0 406.851 4.254 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)OCC(=O)N[C@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000026342387 847127664 /nfs/dbraw/zinc/12/76/64/847127664.db2.gz AAOFKTJETLIVGN-OAQYLSRUSA-N 0 0 410.470 4.317 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000026348872 847130102 /nfs/dbraw/zinc/13/01/02/847130102.db2.gz OPAMFHOGJJJGPO-ZDUSSCGKSA-N 0 0 406.280 4.125 20 5 HIBDRN C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026347311 847130428 /nfs/dbraw/zinc/13/04/28/847130428.db2.gz AMFYWZLKTWPHNL-QWHCGFSZSA-N 0 0 412.515 4.211 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nc2ccccc2n1C(F)F ZINC000026417261 847140669 /nfs/dbraw/zinc/14/06/69/847140669.db2.gz LBJFFSKUTDGHEK-UHFFFAOYSA-N 0 0 422.413 4.469 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H](Nc2ccccc2)C1 ZINC000436409006 861758219 /nfs/dbraw/zinc/75/82/19/861758219.db2.gz HUWRNWMYFBSUDU-INIZCTEOSA-N 0 0 401.441 4.147 20 5 HIBDRN C[C@H](Sc1nccc(C(F)(F)F)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000026478563 847155916 /nfs/dbraw/zinc/15/59/16/847155916.db2.gz LYLYKHYGYYVFJK-ZETCQYMHSA-N 0 0 406.773 4.176 20 5 HIBDRN O=C(CSc1cccc(C(F)(F)F)c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026498984 847160834 /nfs/dbraw/zinc/16/08/34/847160834.db2.gz BJVIELLIXYVZKY-UHFFFAOYSA-N 0 0 400.334 4.073 20 5 HIBDRN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000026543087 847166828 /nfs/dbraw/zinc/16/68/28/847166828.db2.gz OKZAIGXIFDHTDL-UHFFFAOYSA-N 0 0 404.469 4.060 20 5 HIBDRN Cc1ccc(C(=O)C2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000026639439 847178609 /nfs/dbraw/zinc/17/86/09/847178609.db2.gz JFTXUXLPUDPFIW-KRWDZBQOSA-N 0 0 409.486 4.134 20 5 HIBDRN Cc1ccc(C(=O)C2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000026640553 847179031 /nfs/dbraw/zinc/17/90/31/847179031.db2.gz ZHKGQWWWXXDEKJ-KRWDZBQOSA-N 0 0 409.486 4.134 20 5 HIBDRN Cc1ccc(C(=O)C2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c(C)c1 ZINC000026645238 847180207 /nfs/dbraw/zinc/18/02/07/847180207.db2.gz FYDDKOBRKUVIDV-GOSISDBHSA-N 0 0 423.513 4.442 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H](Nc2ccccc2)C1 ZINC000436412258 861763544 /nfs/dbraw/zinc/76/35/44/861763544.db2.gz PKGJOOSNSYYGLL-INIZCTEOSA-N 0 0 419.431 4.286 20 5 HIBDRN CC(=O)c1ccc(Sc2nnc(N3CCCC3)n2-c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000026761134 847194655 /nfs/dbraw/zinc/19/46/55/847194655.db2.gz CCKWAXBMEIIZJI-UHFFFAOYSA-N 0 0 423.498 4.438 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000026814548 847201952 /nfs/dbraw/zinc/20/19/52/847201952.db2.gz YVRWOQDOLAHGDE-LLVKDONJSA-N 0 0 412.309 4.186 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000026886937 847215908 /nfs/dbraw/zinc/21/59/08/847215908.db2.gz DIBFYBYSVWGVDS-OLZOCXBDSA-N 0 0 402.472 4.436 20 5 HIBDRN O=C(CN(Cc1cccs1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027107422 847249482 /nfs/dbraw/zinc/24/94/82/847249482.db2.gz UWSBPWUOMRGFHS-UHFFFAOYSA-N 0 0 410.293 4.022 20 5 HIBDRN COC(=O)CCc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000436422401 861778821 /nfs/dbraw/zinc/77/88/21/861778821.db2.gz VFLUWORGQUJNMT-UHFFFAOYSA-N 0 0 400.434 4.039 20 5 HIBDRN Cc1ccccc1OCCCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436421121 861779730 /nfs/dbraw/zinc/77/97/30/861779730.db2.gz PCPZLSOWTVROPG-UHFFFAOYSA-N 0 0 422.431 4.467 20 5 HIBDRN Cc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc1 ZINC000027641514 847331701 /nfs/dbraw/zinc/33/17/01/847331701.db2.gz BROFAKRIQGFYFV-UHFFFAOYSA-N 0 0 408.380 4.172 20 5 HIBDRN CCOc1ccc(C(=O)OCC(=O)N[C@@H](C)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000027935482 847366404 /nfs/dbraw/zinc/36/64/04/847366404.db2.gz PYWNQHCVXDZAOS-HNNXBMFYSA-N 0 0 422.437 4.181 20 5 HIBDRN O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1cc(Cl)c(Cl)cc1Cl ZINC000028004171 847373535 /nfs/dbraw/zinc/37/35/35/847373535.db2.gz HQEXKRCSQUZONQ-UHFFFAOYSA-N 0 0 416.604 4.102 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1N1CCCC1=O ZINC000028040868 847377635 /nfs/dbraw/zinc/37/76/35/847377635.db2.gz PDRQXEMJTAORJV-UHFFFAOYSA-N 0 0 411.458 4.280 20 5 HIBDRN COc1ccc(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000028197946 847395531 /nfs/dbraw/zinc/39/55/31/847395531.db2.gz PXJQEMSOCMEINK-UHFFFAOYSA-N 0 0 405.454 4.188 20 5 HIBDRN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccc(Cl)cc1Cl ZINC000028279918 847402118 /nfs/dbraw/zinc/40/21/18/847402118.db2.gz MJMOPQXUZMRPSA-UHFFFAOYSA-N 0 0 403.605 4.351 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000028327953 847406454 /nfs/dbraw/zinc/40/64/54/847406454.db2.gz AATUXMWIZUUBLY-SECBINFHSA-N 0 0 408.785 4.307 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000028328695 847406483 /nfs/dbraw/zinc/40/64/83/847406483.db2.gz CTJRWDWTNLTDIT-KBXCAEBGSA-N 0 0 414.483 4.210 20 5 HIBDRN CCOc1ccc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1[N+](=O)[O-] ZINC000028323061 847406555 /nfs/dbraw/zinc/40/65/55/847406555.db2.gz KJHOBDNVLKAZHD-UHFFFAOYSA-N 0 0 411.502 4.075 20 5 HIBDRN O=[N+]([O-])c1cccc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1 ZINC000028367350 847411395 /nfs/dbraw/zinc/41/13/95/847411395.db2.gz KPZKHPVWIDWVTO-HNNXBMFYSA-N 0 0 402.501 4.386 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000028400799 847416124 /nfs/dbraw/zinc/41/61/24/847416124.db2.gz RSWPXNINJSBJGX-VXGBXAGGSA-N 0 0 422.890 4.393 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc4sc5ccccc5n34)o2)cc1 ZINC000028614928 847436883 /nfs/dbraw/zinc/43/68/83/847436883.db2.gz JACKNPPRVHEMNU-UHFFFAOYSA-N 0 0 410.440 4.195 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2nnc(CCC3CCCC3)[nH]2)cccc1[N+](=O)[O-] ZINC000028778983 847459050 /nfs/dbraw/zinc/45/90/50/847459050.db2.gz MGZGYOBEMVJFRS-ZDUSSCGKSA-N 0 0 403.508 4.263 20 5 HIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)F)cc1 ZINC000028936155 847482123 /nfs/dbraw/zinc/48/21/23/847482123.db2.gz MYNSGYGSUOSEMU-SECBINFHSA-N 0 0 414.748 4.034 20 5 HIBDRN Cc1nc(-c2ccc([C@H](C)NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2)cs1 ZINC000029105624 847507215 /nfs/dbraw/zinc/50/72/15/847507215.db2.gz CXTNMCSEIHQFTC-NSHDSACASA-N 0 0 411.439 4.246 20 5 HIBDRN COCCOc1ccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000029216043 847526400 /nfs/dbraw/zinc/52/64/00/847526400.db2.gz HPYIJOZRHGJTLB-MRXNPFEDSA-N 0 0 413.474 4.109 20 5 HIBDRN CSc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1[N+](=O)[O-] ZINC000029278072 847537167 /nfs/dbraw/zinc/53/71/67/847537167.db2.gz XTMBNUCCXBEVJP-UHFFFAOYSA-N 0 0 415.452 4.421 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000029300362 847542599 /nfs/dbraw/zinc/54/25/99/847542599.db2.gz LIRWXTZMBQIWOH-UHFFFAOYSA-N 0 0 408.385 4.364 20 5 HIBDRN NC(=O)c1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)ccc1Cl ZINC000029339198 847547392 /nfs/dbraw/zinc/54/73/92/847547392.db2.gz PUVFGRBPPKRQJP-UHFFFAOYSA-N 0 0 424.844 4.212 20 5 HIBDRN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2s1 ZINC000436458354 861811663 /nfs/dbraw/zinc/81/16/63/861811663.db2.gz HURMUYBGQUEHAA-UHFFFAOYSA-N 0 0 413.846 4.320 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000029843954 847632529 /nfs/dbraw/zinc/63/25/29/847632529.db2.gz JRTDTFAXPMDLEV-HXUWFJFHSA-N 0 0 416.433 4.154 20 5 HIBDRN Cc1csc2nc(COc3ccc([N+](=O)[O-])cc3Cc3ccccc3)cc(=O)n12 ZINC000029903437 847645138 /nfs/dbraw/zinc/64/51/38/847645138.db2.gz TVDJOJZYLCAXKP-UHFFFAOYSA-N 0 0 407.451 4.142 20 5 HIBDRN COc1cccc([C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2nccn2C)c1 ZINC000029987257 847665311 /nfs/dbraw/zinc/66/53/11/847665311.db2.gz PVWLQOZPYOVZRN-FQEVSTJZSA-N 0 0 422.485 4.154 20 5 HIBDRN COc1cc(C(=O)N(C)c2nc3ccc(Cl)cc3s2)c([N+](=O)[O-])cc1OC ZINC000436470289 861817271 /nfs/dbraw/zinc/81/72/71/861817271.db2.gz QXGBXEGIZJHSFO-UHFFFAOYSA-N 0 0 407.835 4.152 20 5 HIBDRN Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C2 ZINC000030384430 847709560 /nfs/dbraw/zinc/70/95/60/847709560.db2.gz RIXQNLHDWPRASP-MRXNPFEDSA-N 0 0 420.494 4.132 20 5 HIBDRN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000030530478 847728842 /nfs/dbraw/zinc/72/88/42/847728842.db2.gz FVUAAJVBFKFNKP-UHFFFAOYSA-N 0 0 418.496 4.369 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000030560408 847736377 /nfs/dbraw/zinc/73/63/77/847736377.db2.gz VAZOEOCIAUSKJC-UHFFFAOYSA-N 0 0 412.427 4.377 20 5 HIBDRN NC(=O)c1ccc(N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c([N+](=O)[O-])c1 ZINC000030768140 847772888 /nfs/dbraw/zinc/77/28/88/847772888.db2.gz GEJNTLUTZRAGGZ-UHFFFAOYSA-N 0 0 416.890 4.341 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1OC ZINC000030885527 847790997 /nfs/dbraw/zinc/79/09/97/847790997.db2.gz RWXMEYDVZVQJFT-UHFFFAOYSA-N 0 0 400.309 4.153 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031257476 847852515 /nfs/dbraw/zinc/85/25/15/847852515.db2.gz OQAOSXUMEFPUEO-UHFFFAOYSA-N 0 0 408.748 4.288 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)c2)cs1 ZINC000031274509 847855739 /nfs/dbraw/zinc/85/57/39/847855739.db2.gz FWICFFNEOILTAJ-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc([N+](=O)[O-])c1 ZINC000031398472 847875398 /nfs/dbraw/zinc/87/53/98/847875398.db2.gz RQYUTKMXGDEOJR-UHFFFAOYSA-N 0 0 424.384 4.352 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)ccc1OC(C)C ZINC000031415649 847881513 /nfs/dbraw/zinc/88/15/13/847881513.db2.gz SDEUNTCYCCKNHJ-HNNXBMFYSA-N 0 0 424.457 4.067 20 5 HIBDRN Cc1ccccc1-c1csc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000031417448 847881557 /nfs/dbraw/zinc/88/15/57/847881557.db2.gz VEVIXSGHVHATFA-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN COC(=O)c1ccc(OCC(=O)c2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000031617225 847918121 /nfs/dbraw/zinc/91/81/21/847918121.db2.gz SPZPJQQNEKUTGV-UHFFFAOYSA-N 0 0 407.378 4.435 20 5 HIBDRN Cc1cc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccc(C)cc2)n1 ZINC000031708880 847934781 /nfs/dbraw/zinc/93/47/81/847934781.db2.gz FTYSLPIGLZVLJY-UHFFFAOYSA-N 0 0 400.822 4.068 20 5 HIBDRN CCNc1nc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 ZINC000031766303 847944775 /nfs/dbraw/zinc/94/47/75/847944775.db2.gz KUEJROKMIASZRB-UHFFFAOYSA-N 0 0 417.878 4.354 20 5 HIBDRN CCCn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1-c1ccncc1 ZINC000031839631 847956871 /nfs/dbraw/zinc/95/68/71/847956871.db2.gz VCQQITRSKIPQQL-UHFFFAOYSA-N 0 0 423.458 4.001 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CSc3nnc(C4CC4)n3-c3ccccc3)n2)c1 ZINC000031842476 847957799 /nfs/dbraw/zinc/95/77/99/847957799.db2.gz XPKFONMKYRVXFX-UHFFFAOYSA-N 0 0 420.454 4.395 20 5 HIBDRN Cc1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)ccc1[N+](=O)[O-] ZINC000031895723 847962649 /nfs/dbraw/zinc/96/26/49/847962649.db2.gz AFUAACLXIRBJIV-SFHVURJKSA-N 0 0 405.857 4.263 20 5 HIBDRN CCOc1ccc(-c2nc(CC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000031931006 847966670 /nfs/dbraw/zinc/96/66/70/847966670.db2.gz YGWJQRJVCQCJIE-UHFFFAOYSA-N 0 0 411.483 4.318 20 5 HIBDRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000031930806 847966820 /nfs/dbraw/zinc/96/68/20/847966820.db2.gz WFXJOSXYXBJEFZ-UHFFFAOYSA-N 0 0 419.441 4.453 20 5 HIBDRN COC(=O)CCCN(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000032278158 847996929 /nfs/dbraw/zinc/99/69/29/847996929.db2.gz XRXSSSSCAUVMQE-UHFFFAOYSA-N 0 0 406.822 4.066 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1SCc1cscn1 ZINC000033180311 848119672 /nfs/dbraw/zinc/11/96/72/848119672.db2.gz HRIFYACAKHBSDN-UHFFFAOYSA-N 0 0 414.512 4.186 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000033180096 848119735 /nfs/dbraw/zinc/11/97/35/848119735.db2.gz UJLQANGZNUKZPG-ZWKOTPCHSA-N 0 0 422.510 4.483 20 5 HIBDRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000033181123 848119765 /nfs/dbraw/zinc/11/97/65/848119765.db2.gz CKCFJXHMPYHDCQ-UHFFFAOYSA-N 0 0 424.404 4.374 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000035828466 848145617 /nfs/dbraw/zinc/14/56/17/848145617.db2.gz YDTTUWRUJOOTRR-UHFFFAOYSA-N 0 0 412.467 4.307 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cccnc2Oc2ccccc2)cc([N+](=O)[O-])c1 ZINC000036759594 848160912 /nfs/dbraw/zinc/16/09/12/848160912.db2.gz AYAJJYIYXAUTPC-UHFFFAOYSA-N 0 0 407.382 4.211 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000039561795 848189811 /nfs/dbraw/zinc/18/98/11/848189811.db2.gz GLOLCIOCTHEIMH-NSHDSACASA-N 0 0 412.471 4.050 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000041398966 848212737 /nfs/dbraw/zinc/21/27/37/848212737.db2.gz IUDVVIRRRFDKHY-CQSZACIVSA-N 0 0 401.488 4.108 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000041775916 848249502 /nfs/dbraw/zinc/24/95/02/848249502.db2.gz REHLHEQTAVIAET-UHFFFAOYSA-N 0 0 409.373 4.247 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000041851727 848257554 /nfs/dbraw/zinc/25/75/54/848257554.db2.gz OCNWEIHPGJBTIA-SFHVURJKSA-N 0 0 401.438 4.275 20 5 HIBDRN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C2CC2)o1 ZINC000041895161 848263109 /nfs/dbraw/zinc/26/31/09/848263109.db2.gz YLVVRINJJSPADA-KDOFPFPSSA-N 0 0 406.442 4.302 20 5 HIBDRN CN(C)C(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ccc1Cl ZINC000041934890 848266960 /nfs/dbraw/zinc/26/69/60/848266960.db2.gz XLITZHYWEJMGJV-UHFFFAOYSA-N 0 0 403.866 4.500 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000042003073 848273063 /nfs/dbraw/zinc/27/30/63/848273063.db2.gz XBMNNUQEWUXQHV-QGZVFWFLSA-N 0 0 417.465 4.179 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(Cl)c2c(c1)OCCCO2 ZINC000042918318 848365713 /nfs/dbraw/zinc/36/57/13/848365713.db2.gz VDFSPYWPFIBGOJ-UHFFFAOYSA-N 0 0 414.748 4.263 20 5 HIBDRN Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918154 848365869 /nfs/dbraw/zinc/36/58/69/848365869.db2.gz MIEQBKXDFMXIBU-UHFFFAOYSA-N 0 0 409.370 4.402 20 5 HIBDRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000042918046 848366173 /nfs/dbraw/zinc/36/61/73/848366173.db2.gz YSUOJOBTUBABHW-QMTHXVAHSA-N 0 0 405.357 4.043 20 5 HIBDRN Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000043341785 848411279 /nfs/dbraw/zinc/41/12/79/848411279.db2.gz NFKFZBSGMUFCTA-UHFFFAOYSA-N 0 0 404.854 4.276 20 5 HIBDRN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000043342546 848411536 /nfs/dbraw/zinc/41/15/36/848411536.db2.gz BEHRNQTVINPGBS-ZDUSSCGKSA-N 0 0 402.838 4.131 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCc1ccc2c(c1)OCO2 ZINC000043751579 848460639 /nfs/dbraw/zinc/46/06/39/848460639.db2.gz HUHMJABELBLQAI-UHFFFAOYSA-N 0 0 402.204 4.246 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000043770009 848462150 /nfs/dbraw/zinc/46/21/50/848462150.db2.gz JSJMXJQJGQLOEY-UHFFFAOYSA-N 0 0 406.822 4.464 20 5 HIBDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c12 ZINC000043769898 848462413 /nfs/dbraw/zinc/46/24/13/848462413.db2.gz HVPYHTPIVOOOFF-UHFFFAOYSA-N 0 0 415.453 4.124 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(OCc2csc(-c3cccc(OC)c3)n2)c1 ZINC000043927568 848490884 /nfs/dbraw/zinc/49/08/84/848490884.db2.gz YCOHOZRCPRBCRP-UHFFFAOYSA-N 0 0 400.412 4.093 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000043949384 848493882 /nfs/dbraw/zinc/49/38/82/848493882.db2.gz KGLLFWHHSQNOOW-UHFFFAOYSA-N 0 0 410.352 4.236 20 5 HIBDRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000044622445 848579468 /nfs/dbraw/zinc/57/94/68/848579468.db2.gz IELFVOKRFIOBSK-GFCCVEGCSA-N 0 0 404.492 4.329 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000044632227 848584000 /nfs/dbraw/zinc/58/40/00/848584000.db2.gz YTDOKXOHNQEQRA-UHFFFAOYSA-N 0 0 405.410 4.173 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000044685164 848591847 /nfs/dbraw/zinc/59/18/47/848591847.db2.gz XWIIIIVBSHELNM-FQEVSTJZSA-N 0 0 402.422 4.412 20 5 HIBDRN Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 ZINC000045417886 848678373 /nfs/dbraw/zinc/67/83/73/848678373.db2.gz GMHJASAZTSNAGS-CQSZACIVSA-N 0 0 411.487 4.016 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000045592635 848697310 /nfs/dbraw/zinc/69/73/10/848697310.db2.gz RJQJUTSTTFLAJH-FQEVSTJZSA-N 0 0 421.453 4.198 20 5 HIBDRN Cc1c(NC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cccc1[N+](=O)[O-] ZINC000045622522 848703611 /nfs/dbraw/zinc/70/36/11/848703611.db2.gz NYLWBKWGRYJOAA-OAQYLSRUSA-N 0 0 417.421 4.098 20 5 HIBDRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c12 ZINC000045716283 848716110 /nfs/dbraw/zinc/71/61/10/848716110.db2.gz NSKMJHLBFVZNDQ-UHFFFAOYSA-N 0 0 421.482 4.186 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000045782098 848727427 /nfs/dbraw/zinc/72/74/27/848727427.db2.gz NRICWICOVSQOJA-AWEZNQCLSA-N 0 0 419.441 4.320 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000045806816 848732943 /nfs/dbraw/zinc/73/29/43/848732943.db2.gz GZCFVMVKCGWIAV-UHFFFAOYSA-N 0 0 414.405 4.108 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000045998788 848769642 /nfs/dbraw/zinc/76/96/42/848769642.db2.gz PDEUSRSLQZXKNE-UHFFFAOYSA-N 0 0 410.405 4.263 20 5 HIBDRN Cc1ccc(CN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C2CC2)o1 ZINC000046284192 848817261 /nfs/dbraw/zinc/81/72/61/848817261.db2.gz PITWFYLMBBRUFK-UHFFFAOYSA-N 0 0 408.458 4.163 20 5 HIBDRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000046533041 848868773 /nfs/dbraw/zinc/86/87/73/848868773.db2.gz MQAMGIGYGGXFNC-LBPRGKRZSA-N 0 0 404.854 4.098 20 5 HIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000046568129 848875504 /nfs/dbraw/zinc/87/55/04/848875504.db2.gz VKBMOPSCQFHHAN-CVEARBPZSA-N 0 0 422.510 4.483 20 5 HIBDRN Cc1sc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000046588591 848880997 /nfs/dbraw/zinc/88/09/97/848880997.db2.gz QGKFPWOASMIHML-UHFFFAOYSA-N 0 0 417.468 4.018 20 5 HIBDRN CN(Cc1nc(-c2cccc(Br)c2)no1)Cc1ccccc1[N+](=O)[O-] ZINC000046599210 848882608 /nfs/dbraw/zinc/88/26/08/848882608.db2.gz LVXKRBKGYPKSKB-UHFFFAOYSA-N 0 0 403.236 4.039 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])cn1 ZINC000046611607 848885277 /nfs/dbraw/zinc/88/52/77/848885277.db2.gz MJVIHHMQUBDBKI-UHFFFAOYSA-N 0 0 407.426 4.419 20 5 HIBDRN CCCOc1ccc([C@@H](C)NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000046672915 848905239 /nfs/dbraw/zinc/90/52/39/848905239.db2.gz YADVOHVEFUUUDM-OAHLLOKOSA-N 0 0 401.463 4.295 20 5 HIBDRN O=C(Nc1cccc(COCc2ccco2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000046675711 848906871 /nfs/dbraw/zinc/90/68/71/848906871.db2.gz CRLDBQZYIVTAMC-UHFFFAOYSA-N 0 0 418.409 4.343 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(COCc3ccco3)c2)c([N+](=O)[O-])cc1OC ZINC000046675765 848906971 /nfs/dbraw/zinc/90/69/71/848906971.db2.gz RRSBDXNSOPODIZ-UHFFFAOYSA-N 0 0 412.398 4.174 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1OC1CCCC1 ZINC000046688398 848911586 /nfs/dbraw/zinc/91/15/86/848911586.db2.gz PSGHKGGMYGPGEA-AWEZNQCLSA-N 0 0 401.488 4.108 20 5 HIBDRN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000046712846 848917124 /nfs/dbraw/zinc/91/71/24/848917124.db2.gz WYLDZPLWQVDQDB-UHFFFAOYSA-N 0 0 404.348 4.072 20 5 HIBDRN Cc1ccc(C)c(Oc2ccc(CNC(=O)COc3ccccc3[N+](=O)[O-])cn2)c1 ZINC000046845417 848946721 /nfs/dbraw/zinc/94/67/21/848946721.db2.gz DHCTUUKCWAZQSY-UHFFFAOYSA-N 0 0 407.426 4.094 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000046894699 848954137 /nfs/dbraw/zinc/95/41/37/848954137.db2.gz FJXRUAKRLDUMFB-UHFFFAOYSA-N 0 0 403.438 4.350 20 5 HIBDRN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000046912867 848958243 /nfs/dbraw/zinc/95/82/43/848958243.db2.gz KSIDGANHTANEJI-UHFFFAOYSA-N 0 0 418.478 4.498 20 5 HIBDRN Cc1cccc(C(=O)Nc2nc3c(s2)CCN(Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000047162350 848994682 /nfs/dbraw/zinc/99/46/82/848994682.db2.gz KNKCUPSZSGWHCA-UHFFFAOYSA-N 0 0 408.483 4.170 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000047235986 849009985 /nfs/dbraw/zinc/00/99/85/849009985.db2.gz OZGSEACEIQGRLD-NRFANRHFSA-N 0 0 419.437 4.103 20 5 HIBDRN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2csc(C3CCCCC3)n2)C1=O ZINC000047347366 849030403 /nfs/dbraw/zinc/03/04/03/849030403.db2.gz SUMWUDVLFGUYEK-HXUWFJFHSA-N 0 0 414.487 4.066 20 5 HIBDRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743906 849102744 /nfs/dbraw/zinc/10/27/44/849102744.db2.gz LOZBYJXLKJTXSJ-SFHVURJKSA-N 0 0 410.518 4.176 20 5 HIBDRN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744389 849103066 /nfs/dbraw/zinc/10/30/66/849103066.db2.gz AUVJFRWRJORNKN-MSOLQXFVSA-N 0 0 410.518 4.258 20 5 HIBDRN O=C(NCCc1nc2ccccc2s1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047865710 849129483 /nfs/dbraw/zinc/12/94/83/849129483.db2.gz MGMIMCVMXFIKCY-UHFFFAOYSA-N 0 0 408.386 4.170 20 5 HIBDRN COc1ccccc1CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000047866338 849129985 /nfs/dbraw/zinc/12/99/85/849129985.db2.gz YZRNSMNHMABDTR-UHFFFAOYSA-N 0 0 407.373 4.401 20 5 HIBDRN CCCOc1cc(/C=C/c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])ccc1OC ZINC000047971363 849146022 /nfs/dbraw/zinc/14/60/22/849146022.db2.gz RZQHRNLIVPKCFU-VQHVLOKHSA-N 0 0 407.426 4.258 20 5 HIBDRN CCOCc1ccccc1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000048112601 849169998 /nfs/dbraw/zinc/16/99/98/849169998.db2.gz CENWQIBAYHYRRM-UHFFFAOYSA-N 0 0 412.364 4.002 20 5 HIBDRN CCOc1cccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 ZINC000048118809 849170830 /nfs/dbraw/zinc/17/08/30/849170830.db2.gz NWJFRVUPTAPDPW-GOSISDBHSA-N 0 0 415.446 4.198 20 5 HIBDRN O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000048196043 849188057 /nfs/dbraw/zinc/18/80/57/849188057.db2.gz APGUGIWHSMAJMY-UHFFFAOYSA-N 0 0 409.364 4.388 20 5 HIBDRN CCOc1cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)c([N+](=O)[O-])cc1OC ZINC000048342115 849208888 /nfs/dbraw/zinc/20/88/88/849208888.db2.gz BFDRWQITEGWNEL-UHFFFAOYSA-N 0 0 416.449 4.383 20 5 HIBDRN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1Br ZINC000048811159 849270788 /nfs/dbraw/zinc/27/07/88/849270788.db2.gz QADUFKYJBRWPNH-UHFFFAOYSA-N 0 0 403.236 4.039 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000048963203 849283673 /nfs/dbraw/zinc/28/36/73/849283673.db2.gz XFIUVBKPBGYWAJ-IBGZPJMESA-N 0 0 409.829 4.093 20 5 HIBDRN O=C(NCCc1ccc(Cl)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000049009724 849287919 /nfs/dbraw/zinc/28/79/19/849287919.db2.gz JONVKDFLNGWSKC-UHFFFAOYSA-N 0 0 408.785 4.223 20 5 HIBDRN O=C(COc1ccc(NC(=O)c2ccco2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049875453 849332551 /nfs/dbraw/zinc/33/25/51/849332551.db2.gz ZUQIJGKNOUPXIL-UHFFFAOYSA-N 0 0 415.789 4.111 20 5 HIBDRN O=C(Nc1ccnn1Cc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050292545 849368741 /nfs/dbraw/zinc/36/87/41/849368741.db2.gz YUYLVZRCSNMBIO-UHFFFAOYSA-N 0 0 405.439 4.215 20 5 HIBDRN COCCOCc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000050332718 849372685 /nfs/dbraw/zinc/37/26/85/849372685.db2.gz MLLONEHMBRMYIP-UHFFFAOYSA-N 0 0 413.455 4.134 20 5 HIBDRN O=C(CSCc1ccc(Br)cc1F)NCc1ccc([N+](=O)[O-])cc1 ZINC000050334744 849373645 /nfs/dbraw/zinc/37/36/45/849373645.db2.gz YSUOADFGVAXYRB-UHFFFAOYSA-N 0 0 413.268 4.046 20 5 HIBDRN COCCOc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000050343062 849374465 /nfs/dbraw/zinc/37/44/65/849374465.db2.gz RBTNKDHSIIQCQB-UHFFFAOYSA-N 0 0 417.418 4.135 20 5 HIBDRN O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050488347 849387611 /nfs/dbraw/zinc/38/76/11/849387611.db2.gz QBYZYFVIJQWYCF-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN CC(C)c1cccc(C(C)C)c1NC(=O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000050601620 849397937 /nfs/dbraw/zinc/39/79/37/849397937.db2.gz HMIVICSFMIONRF-UHFFFAOYSA-N 0 0 404.488 4.254 20 5 HIBDRN CC(C)NC(=O)c1ccc(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000050956778 849421908 /nfs/dbraw/zinc/42/19/08/849421908.db2.gz YHRVSZQXIHVUEA-DENIHFKCSA-N 0 0 411.502 4.337 20 5 HIBDRN Cc1ccc(OC2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)cc1C ZINC000051992354 849536221 /nfs/dbraw/zinc/53/62/21/849536221.db2.gz KKOAHWUPPWBDIO-UHFFFAOYSA-N 0 0 408.458 4.305 20 5 HIBDRN Cc1occc1C(=O)Nc1cc(Nc2nc3sccn3c2[N+](=O)[O-])ccc1F ZINC000052190385 849559570 /nfs/dbraw/zinc/55/95/70/849559570.db2.gz YBTDZSGYGRIABO-UHFFFAOYSA-N 0 0 401.379 4.340 20 5 HIBDRN CC(=O)c1ccc(NCc2ccc(N3CCc4ccccc4C3)nc2)c([N+](=O)[O-])c1 ZINC000052409647 849578361 /nfs/dbraw/zinc/57/83/61/849578361.db2.gz DBXAEXDMANMDPE-UHFFFAOYSA-N 0 0 402.454 4.367 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NC2CCN(Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000052407570 849578478 /nfs/dbraw/zinc/57/84/78/849578478.db2.gz RSSWUXHVOYAVBE-UHFFFAOYSA-N 0 0 416.481 4.297 20 5 HIBDRN CC(C)(C)c1nc(CN2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cs1 ZINC000052429043 849580127 /nfs/dbraw/zinc/58/01/27/849580127.db2.gz QFQDWNYQKKQRQM-UHFFFAOYSA-N 0 0 411.531 4.219 20 5 HIBDRN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052604976 849599391 /nfs/dbraw/zinc/59/93/91/849599391.db2.gz IDVVDUXALYNPFN-UHFFFAOYSA-N 0 0 416.441 4.313 20 5 HIBDRN COc1cccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000052953335 849648634 /nfs/dbraw/zinc/64/86/34/849648634.db2.gz GOMHKOVDCQUWTI-HNNXBMFYSA-N 0 0 406.442 4.102 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053331479 849695820 /nfs/dbraw/zinc/69/58/20/849695820.db2.gz XHEVQGLFUSYOGV-INIZCTEOSA-N 0 0 417.469 4.363 20 5 HIBDRN Cc1cc([C@@H]2CCCN2C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])on1 ZINC000053400655 849703779 /nfs/dbraw/zinc/70/37/79/849703779.db2.gz AWDNFHYBPUJETL-AWEZNQCLSA-N 0 0 412.368 4.076 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000053487723 849721466 /nfs/dbraw/zinc/72/14/66/849721466.db2.gz FFSNETOSMQROCG-KRWDZBQOSA-N 0 0 404.850 4.389 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000053808585 849761507 /nfs/dbraw/zinc/76/15/07/849761507.db2.gz WBGNWSCGTGRZSF-HNNXBMFYSA-N 0 0 418.453 4.067 20 5 HIBDRN Cn1cc(C(=O)Nc2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053807433 849762201 /nfs/dbraw/zinc/76/22/01/849762201.db2.gz WPHNCYSMJRFMLW-UHFFFAOYSA-N 0 0 405.439 4.371 20 5 HIBDRN Cc1ccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000054005099 849793412 /nfs/dbraw/zinc/79/34/12/849793412.db2.gz MFOPIBAQGWSFAW-KRWDZBQOSA-N 0 0 403.410 4.247 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)Nc1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000054005135 849793428 /nfs/dbraw/zinc/79/34/28/849793428.db2.gz RESJUJJXTOZIHC-OAHLLOKOSA-N 0 0 407.373 4.078 20 5 HIBDRN Cc1ncc(CN(C)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 ZINC000054086648 849808372 /nfs/dbraw/zinc/80/83/72/849808372.db2.gz BKOIGCJJCZDWCE-ZDUSSCGKSA-N 0 0 411.487 4.200 20 5 HIBDRN Cc1noc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC2)n1 ZINC000054122591 849813731 /nfs/dbraw/zinc/81/37/31/849813731.db2.gz OZSSYABRCMSWMM-UHFFFAOYSA-N 0 0 408.414 4.098 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(OCc2cccc(C(=O)Nc3ccccc3)c2)c1 ZINC000054202587 849826846 /nfs/dbraw/zinc/82/68/46/849826846.db2.gz ADWUFSBTLZZCJG-UHFFFAOYSA-N 0 0 406.394 4.213 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000055457130 850029808 /nfs/dbraw/zinc/02/98/08/850029808.db2.gz PDUXDIBOZYXTSC-LJQANCHMSA-N 0 0 418.880 4.448 20 5 HIBDRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055466458 850031998 /nfs/dbraw/zinc/03/19/98/850031998.db2.gz YYSHPCFCKUKLSA-CQSZACIVSA-N 0 0 417.469 4.218 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(OCC(C)C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000055468180 850033209 /nfs/dbraw/zinc/03/32/09/850033209.db2.gz SLHHIFDJKOAKRI-UHFFFAOYSA-N 0 0 410.373 4.492 20 5 HIBDRN CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000055594999 850072365 /nfs/dbraw/zinc/07/23/65/850072365.db2.gz RGQBKVWCJRRBLU-UHFFFAOYSA-N 0 0 411.867 4.014 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000055647292 850091932 /nfs/dbraw/zinc/09/19/32/850091932.db2.gz MFUDQVOLUIOWNA-HNNXBMFYSA-N 0 0 407.426 4.068 20 5 HIBDRN COc1ccccc1CN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000055677469 850106655 /nfs/dbraw/zinc/10/66/55/850106655.db2.gz RJPDIFQBSKYZQL-UHFFFAOYSA-N 0 0 416.499 4.036 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cl ZINC000055688457 850113036 /nfs/dbraw/zinc/11/30/36/850113036.db2.gz MZOGFYNGHLFNMD-UHFFFAOYSA-N 0 0 419.865 4.428 20 5 HIBDRN Cc1c(NC(=O)COc2ccccc2[N+](=O)[O-])cccc1NC(=O)c1ccccc1 ZINC000055803213 850158136 /nfs/dbraw/zinc/15/81/36/850158136.db2.gz VJTPVAXQNLHQDI-UHFFFAOYSA-N 0 0 405.410 4.173 20 5 HIBDRN Cc1c(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cccc1[N+](=O)[O-] ZINC000055831841 850170532 /nfs/dbraw/zinc/17/05/32/850170532.db2.gz OGWMGGLUHOLVQA-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN Cc1sc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1[N+](=O)[O-] ZINC000055832066 850170715 /nfs/dbraw/zinc/17/07/15/850170715.db2.gz PRCSGWMZHYPACB-UHFFFAOYSA-N 0 0 413.430 4.286 20 5 HIBDRN O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000055869296 850187038 /nfs/dbraw/zinc/18/70/38/850187038.db2.gz WJXJRTYYIVEXOE-QGZVFWFLSA-N 0 0 404.348 4.204 20 5 HIBDRN O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000055869334 850187101 /nfs/dbraw/zinc/18/71/01/850187101.db2.gz WINWJGINMOIYJN-QGZVFWFLSA-N 0 0 404.348 4.204 20 5 HIBDRN O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000055869335 850187455 /nfs/dbraw/zinc/18/74/55/850187455.db2.gz WINWJGINMOIYJN-KRWDZBQOSA-N 0 0 404.348 4.204 20 5 HIBDRN O=C(NC[C@@H]1CCCOC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000055919757 850206582 /nfs/dbraw/zinc/20/65/82/850206582.db2.gz GHCSPBQCKRJPRB-AWEZNQCLSA-N 0 0 403.866 4.017 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCO[C@H]2CCC[C@H]21 ZINC000056195460 850278366 /nfs/dbraw/zinc/27/83/66/850278366.db2.gz GVNKPKBPCOBVOA-AEFFLSMTSA-N 0 0 402.834 4.434 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000056288756 850313518 /nfs/dbraw/zinc/31/35/18/850313518.db2.gz OGOPYXVOSVRFFP-UHFFFAOYSA-N 0 0 408.458 4.405 20 5 HIBDRN CC(=O)N[C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccc(Cl)cc1 ZINC000056287989 850313620 /nfs/dbraw/zinc/31/36/20/850313620.db2.gz DQKPBIPZOIVKMA-FQEVSTJZSA-N 0 0 417.893 4.253 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C)c(F)c2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000056380691 850341693 /nfs/dbraw/zinc/34/16/93/850341693.db2.gz QWRWBRVBHIALEK-UHFFFAOYSA-N 0 0 417.418 4.339 20 5 HIBDRN C[C@@H](NC(=O)NCc1cccc(COCc2ccco2)c1)c1cccc([N+](=O)[O-])c1 ZINC000056399173 850348028 /nfs/dbraw/zinc/34/80/28/850348028.db2.gz BHJYFOKGKJROMO-MRXNPFEDSA-N 0 0 409.442 4.465 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000057018158 850533766 /nfs/dbraw/zinc/53/37/66/850533766.db2.gz KODJBOJAFUDOTA-UHFFFAOYSA-N 0 0 419.684 4.144 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2csc(Br)c2)c1 ZINC000057079291 850543866 /nfs/dbraw/zinc/54/38/66/850543866.db2.gz ACQAMCSAMXRRPP-UHFFFAOYSA-N 0 0 401.307 4.413 20 5 HIBDRN O=C(c1cccc(Cl)c1)N1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000057141620 850560127 /nfs/dbraw/zinc/56/01/27/850560127.db2.gz FZNBQTCTGOLGEM-UHFFFAOYSA-N 0 0 410.861 4.149 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000057432516 850636837 /nfs/dbraw/zinc/63/68/37/850636837.db2.gz SSWXSVKXMARXOA-UHFFFAOYSA-N 0 0 400.412 4.197 20 5 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O=c1[nH]cnc2cc(N[C@@H]3CCCc4cc(OC(F)F)ccc43)c([N+](=O)[O-])cc12 ZINC000301113266 854300364 /nfs/dbraw/zinc/30/03/64/854300364.db2.gz NQWLPTCDAMJVTR-CQSZACIVSA-N 0 0 402.357 4.335 20 5 HIBDRN NC(=O)c1cc([N+](=O)[O-])cnc1Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000301115680 854301049 /nfs/dbraw/zinc/30/10/49/854301049.db2.gz YAJRROCUTJBGBR-UHFFFAOYSA-N 0 0 417.450 4.297 20 5 HIBDRN O=c1[nH]cnc2cc(NCC3(c4cccc(Cl)c4)CCOCC3)c([N+](=O)[O-])cc12 ZINC000301118991 854301651 /nfs/dbraw/zinc/30/16/51/854301651.db2.gz WRPJPGQAVZJWAL-UHFFFAOYSA-N 0 0 414.849 4.057 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@H](C)c2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])c1 ZINC000301126388 854304519 /nfs/dbraw/zinc/30/45/19/854304519.db2.gz QGBWAYDITURZQH-OAHLLOKOSA-N 0 0 410.474 4.033 20 5 HIBDRN O=C(Oc1ccccc1)N1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301143618 854310372 /nfs/dbraw/zinc/31/03/72/854310372.db2.gz JZRLBUIWNIRJKV-UHFFFAOYSA-N 0 0 409.364 4.325 20 5 HIBDRN Cc1cc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)o1 ZINC000301151859 854312886 /nfs/dbraw/zinc/31/28/86/854312886.db2.gz NIKBFIPCOINRIG-UHFFFAOYSA-N 0 0 411.380 4.222 20 5 HIBDRN O=c1[nH]cnc2cc(N3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)c([N+](=O)[O-])cc12 ZINC000301155449 854314403 /nfs/dbraw/zinc/31/44/03/854314403.db2.gz PQBLEKUSSRWYFT-QGZVFWFLSA-N 0 0 421.240 4.128 20 5 HIBDRN O=[N+]([O-])c1ccc(NC[C@H](c2cccc(Cl)c2)N2CCOCC2)c2ccncc21 ZINC000301173685 854319479 /nfs/dbraw/zinc/31/94/79/854319479.db2.gz YBFBMBFEDPYBQF-OAQYLSRUSA-N 0 0 412.877 4.282 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NCc2csc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000301273092 854345160 /nfs/dbraw/zinc/34/51/60/854345160.db2.gz RJSKQYLNXSJHSR-UHFFFAOYSA-N 0 0 419.466 4.295 20 5 HIBDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3cccnc3)n2-c2ccccc2)c(Cl)c1 ZINC000301283650 854347548 /nfs/dbraw/zinc/34/75/48/854347548.db2.gz PLOMDFPJANPTIO-UHFFFAOYSA-N 0 0 410.846 4.437 20 5 HIBDRN Cc1c(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)oc2ccccc12 ZINC000301284654 854347592 /nfs/dbraw/zinc/34/75/92/854347592.db2.gz 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CCO[C@@H]1C[C@@H](O)C12CCN(c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000301340049 854364559 /nfs/dbraw/zinc/36/45/59/854364559.db2.gz HUWOFECDRHAURS-HUUCEWRRSA-N 0 0 408.804 4.023 20 5 HIBDRN Cc1ccc(C[C@H](C)Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)s1 ZINC000301375083 854375980 /nfs/dbraw/zinc/37/59/80/854375980.db2.gz RSKBBQCQSUKHDW-NSHDSACASA-N 0 0 404.879 4.207 20 5 HIBDRN C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000301381768 854378028 /nfs/dbraw/zinc/37/80/28/854378028.db2.gz ZXURTVFEQXKZLW-LLVKDONJSA-N 0 0 423.397 4.419 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(CNc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000301384405 854378704 /nfs/dbraw/zinc/37/87/04/854378704.db2.gz WGYOWXLFQHMUDK-UHFFFAOYSA-N 0 0 407.268 4.499 20 5 HIBDRN Cc1cc([C@@](C)(O)CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(C)o1 ZINC000301401244 854383730 /nfs/dbraw/zinc/38/37/30/854383730.db2.gz CDXROXLHULPTPG-HNNXBMFYSA-N 0 0 403.313 4.051 20 5 HIBDRN 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422.279 4.088 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1)c1ccccc1 ZINC000301544232 854416955 /nfs/dbraw/zinc/41/69/55/854416955.db2.gz OXBVAJXHIYJIFE-AWEZNQCLSA-N 0 0 418.291 4.004 20 5 HIBDRN O=C(c1cc(N2CCC(Oc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301546882 854417882 /nfs/dbraw/zinc/41/78/82/854417882.db2.gz DUJXALSXTQLYTD-UHFFFAOYSA-N 0 0 413.449 4.018 20 5 HIBDRN Cc1ccccc1C1(CNc2ncc([N+](=O)[O-])cc2Br)CCOCC1 ZINC000301548043 854418065 /nfs/dbraw/zinc/41/80/65/854418065.db2.gz PZNWLRMLZGNAIE-UHFFFAOYSA-N 0 0 406.280 4.221 20 5 HIBDRN CN(c1ccc([N+](=O)[O-])c2cnccc21)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000301568996 854421747 /nfs/dbraw/zinc/42/17/47/854421747.db2.gz KMAWYCGDFDBVDB-UHFFFAOYSA-N 0 0 400.479 4.415 20 5 HIBDRN COc1cc(N(C)CC(=O)Nc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1F ZINC000301612462 854429892 /nfs/dbraw/zinc/42/98/92/854429892.db2.gz FXXUCHCKRNSKLR-UHFFFAOYSA-N 0 0 402.209 4.124 20 5 HIBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 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412.258 4.155 20 5 HIBDRN Cn1c(COc2ccccc2Cl)nnc1Sc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301746185 854457301 /nfs/dbraw/zinc/45/73/01/854457301.db2.gz PHTAMBWPTSXTSV-UHFFFAOYSA-N 0 0 412.258 4.155 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000301747260 854457772 /nfs/dbraw/zinc/45/77/72/854457772.db2.gz QTOKCKLAVLTDKT-LLVKDONJSA-N 0 0 423.907 4.293 20 5 HIBDRN CS(=O)(=O)c1cccc([C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])c2ccccc2)c1 ZINC000301756959 854460219 /nfs/dbraw/zinc/46/02/19/854460219.db2.gz YOYWIZHITHGRRL-GOSISDBHSA-N 0 0 417.874 4.248 20 5 HIBDRN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301782291 854464895 /nfs/dbraw/zinc/46/48/95/854464895.db2.gz NMNSKQDMQFRYNG-WCQYABFASA-N 0 0 403.401 4.496 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000301785517 854465839 /nfs/dbraw/zinc/46/58/39/854465839.db2.gz VPTLXQOTBOFGMK-SFHVURJKSA-N 0 0 423.347 4.200 20 5 HIBDRN CCn1c(Sc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)nnc1-c1ccccn1 ZINC000301802552 854468346 /nfs/dbraw/zinc/46/83/46/854468346.db2.gz AIHAZPFGAWIJHA-UHFFFAOYSA-N 0 0 419.470 4.185 20 5 HIBDRN O=c1[nH]cnc2cc(N3CCC[C@@H](COc4ccccc4Cl)C3)c([N+](=O)[O-])cc12 ZINC000301827234 854472152 /nfs/dbraw/zinc/47/21/52/854472152.db2.gz PNFUBGKQGBWXPC-CYBMUJFWSA-N 0 0 414.849 4.192 20 5 HIBDRN O=c1[nH]cnc2cc(N3CCC[C@H](COc4ccccc4Cl)C3)c([N+](=O)[O-])cc12 ZINC000301827235 854472286 /nfs/dbraw/zinc/47/22/86/854472286.db2.gz PNFUBGKQGBWXPC-ZDUSSCGKSA-N 0 0 414.849 4.192 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1NCc1cccc(OCC(F)(F)F)c1 ZINC000301850387 854475813 /nfs/dbraw/zinc/47/58/13/854475813.db2.gz ACXLOWUSEUHSPZ-UHFFFAOYSA-N 0 0 406.158 4.306 20 5 HIBDRN COc1cc(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)c(F)cc1[N+](=O)[O-] ZINC000301855999 854476513 /nfs/dbraw/zinc/47/65/13/854476513.db2.gz CWOOLPQJDSAULF-HNNXBMFYSA-N 0 0 416.453 4.089 20 5 HIBDRN Cc1cccc(C(=O)N2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)c1 ZINC000301863782 854478519 /nfs/dbraw/zinc/47/85/19/854478519.db2.gz GFLRCBANXCGSEN-UHFFFAOYSA-N 0 0 416.481 4.318 20 5 HIBDRN C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(-c4ccccc4)n3)cn2)C[C@@H](C)O1 ZINC000301876313 854482521 /nfs/dbraw/zinc/48/25/21/854482521.db2.gz NFJPSUSJZBDBMP-IAGOWNOFSA-N 0 0 419.485 4.278 20 5 HIBDRN O=C1CCCN1C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1ccccc1 ZINC000301879007 854483402 /nfs/dbraw/zinc/48/34/02/854483402.db2.gz UMHHWXVNCCTKPG-IBGZPJMESA-N 0 0 402.454 4.432 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C2)nc1 ZINC000301896586 854487507 /nfs/dbraw/zinc/48/75/07/854487507.db2.gz UXUVMWMFJKYVQI-MRXNPFEDSA-N 0 0 412.490 4.331 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000301929870 854496004 /nfs/dbraw/zinc/49/60/04/854496004.db2.gz NXUWJEGMRVEYMP-INIZCTEOSA-N 0 0 403.211 4.488 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301948646 854502308 /nfs/dbraw/zinc/50/23/08/854502308.db2.gz BXOHGELAGOKMMU-IUODEOHRSA-N 0 0 416.634 4.487 20 5 HIBDRN COc1cc(NCc2ccc(N3CCc4ccccc4C3)nc2)c(F)cc1[N+](=O)[O-] ZINC000301982604 854508614 /nfs/dbraw/zinc/50/86/14/854508614.db2.gz YEVSFGKIEPXOFR-UHFFFAOYSA-N 0 0 408.433 4.312 20 5 HIBDRN O=C(Nc1ccccc1)NC1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301990378 854511223 /nfs/dbraw/zinc/51/12/23/854511223.db2.gz PBLPHMYEJXKWHF-UHFFFAOYSA-N 0 0 408.380 4.404 20 5 HIBDRN Cc1cc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c2cccc([N+](=O)[O-])c2n1 ZINC000301996748 854513046 /nfs/dbraw/zinc/51/30/46/854513046.db2.gz HRTWCIZRNXDTBC-HXUWFJFHSA-N 0 0 406.442 4.181 20 5 HIBDRN Cc1cc(NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c2cccc([N+](=O)[O-])c2n1 ZINC000301998264 854513143 /nfs/dbraw/zinc/51/31/43/854513143.db2.gz IFXAEMOWQITQGD-KRWDZBQOSA-N 0 0 415.833 4.022 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)nn21 ZINC000302003505 854514732 /nfs/dbraw/zinc/51/47/32/854514732.db2.gz RJYKXTYKHZLXQC-UHFFFAOYSA-N 0 0 421.288 4.021 20 5 HIBDRN Cc1cc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302016842 854516544 /nfs/dbraw/zinc/51/65/44/854516544.db2.gz LZJZVUUHZAENFV-UHFFFAOYSA-N 0 0 422.460 4.123 20 5 HIBDRN O=c1[nH]cnc2cc(NCCOCc3ccc(Cl)cc3Cl)c([N+](=O)[O-])cc12 ZINC000302020545 854517459 /nfs/dbraw/zinc/51/74/59/854517459.db2.gz NRBHDVGLPMJCDP-UHFFFAOYSA-N 0 0 409.229 4.179 20 5 HIBDRN Cc1cc(N2CCC(C(=O)N3CCc4ccccc43)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302031620 854518883 /nfs/dbraw/zinc/51/88/83/854518883.db2.gz SFWZVYOZAIFGAU-UHFFFAOYSA-N 0 0 416.481 4.257 20 5 HIBDRN Cc1cc(C(=O)NC2CCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)c(C)o1 ZINC000302033785 854519522 /nfs/dbraw/zinc/51/95/22/854519522.db2.gz TWKZLLAMTLVUKC-UHFFFAOYSA-N 0 0 408.458 4.060 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000302044508 854522022 /nfs/dbraw/zinc/52/20/22/854522022.db2.gz SWNMFUJRYKFTID-LLVKDONJSA-N 0 0 402.394 4.060 20 5 HIBDRN O=[N+]([O-])c1ccccc1N1CCN(c2nnc(-c3ccccc3Cl)s2)CC1 ZINC000302124063 854533743 /nfs/dbraw/zinc/53/37/43/854533743.db2.gz FGINCTVJAKYOCT-UHFFFAOYSA-N 0 0 401.879 4.093 20 5 HIBDRN CCOc1cccc(NCC(=O)Nc2ccc(Br)cc2C)c1[N+](=O)[O-] ZINC000302133415 854534816 /nfs/dbraw/zinc/53/48/16/854534816.db2.gz HIEIHRLPHIYXIC-UHFFFAOYSA-N 0 0 408.252 4.115 20 5 HIBDRN O=C(Nc1ccc(F)cc1)C1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302136608 854535637 /nfs/dbraw/zinc/53/56/37/854535637.db2.gz BLCQFKJQXJHULU-UHFFFAOYSA-N 0 0 409.364 4.190 20 5 HIBDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302142656 854536564 /nfs/dbraw/zinc/53/65/64/854536564.db2.gz FVDJDUYJRKXUPX-VIFPVBQESA-N 0 0 408.423 4.122 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(N2Cc3ccc(Br)cc3C2)cc1Cl ZINC000302150313 854538369 /nfs/dbraw/zinc/53/83/69/854538369.db2.gz BHVCVSRXXPHOED-UHFFFAOYSA-N 0 0 411.639 4.318 20 5 HIBDRN COc1ccc([C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000302157446 854539032 /nfs/dbraw/zinc/53/90/32/854539032.db2.gz JAPCAGCLHFPPRX-SFHVURJKSA-N 0 0 418.496 4.270 20 5 HIBDRN O=C(NCCOc1ncccc1C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000437312189 862576632 /nfs/dbraw/zinc/57/66/32/862576632.db2.gz WPXWZOTYEDRKRF-UHFFFAOYSA-N 0 0 411.361 4.032 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(Cl)c3)C2)cc1Cl ZINC000302204969 854550020 /nfs/dbraw/zinc/55/00/20/854550020.db2.gz JRPDITPNTFZOLL-KRWDZBQOSA-N 0 0 411.241 4.266 20 5 HIBDRN CCOc1cc(Oc2ccc3c(c2)oc(=O)cc3-c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000302231238 854554609 /nfs/dbraw/zinc/55/46/09/854554609.db2.gz CUCZRNWUWKAVEC-UHFFFAOYSA-N 0 0 405.366 4.349 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(O)(Cc3cccc(F)c3)CC2)nc1-c1ccccc1 ZINC000302239234 854556219 /nfs/dbraw/zinc/55/62/19/854556219.db2.gz HGRSUXJRISLOFP-UHFFFAOYSA-N 0 0 407.445 4.370 20 5 HIBDRN CN(Cc1nccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1Br ZINC000302386032 854566736 /nfs/dbraw/zinc/56/67/36/854566736.db2.gz COHHUSVKVWARRH-UHFFFAOYSA-N 0 0 401.264 4.239 20 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ZINC000302661693 854599859 /nfs/dbraw/zinc/59/98/59/854599859.db2.gz IMVFLRHXLLVHNK-UHFFFAOYSA-N 0 0 412.364 4.293 20 5 HIBDRN COc1cccc(-c2ccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cc2)c1 ZINC000302666004 854600837 /nfs/dbraw/zinc/60/08/37/854600837.db2.gz QBJDPDLRPSKREO-UHFFFAOYSA-N 0 0 412.467 4.286 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000302711436 854610232 /nfs/dbraw/zinc/61/02/32/854610232.db2.gz KWPJUFFCPGCNCP-UHFFFAOYSA-N 0 0 414.263 4.229 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000302772812 854629747 /nfs/dbraw/zinc/62/97/47/854629747.db2.gz NMWLMYRNHOCLSO-HUUCEWRRSA-N 0 0 417.893 4.418 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3nc(-c4ccccc4Cl)cs3)C2)nc1 ZINC000302771983 854630100 /nfs/dbraw/zinc/63/01/00/854630100.db2.gz CKWHSDOWKDMYCU-LBPRGKRZSA-N 0 0 401.879 4.458 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000437323039 862590263 /nfs/dbraw/zinc/59/02/63/862590263.db2.gz APRXLPGAJUPQRS-RDTXWAMCSA-N 0 0 408.379 4.385 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1N1CCO[C@@H](c3ccc(F)c(Br)c3)C1)CCN2 ZINC000302882983 854666426 /nfs/dbraw/zinc/66/64/26/854666426.db2.gz KLUCSOBECMKHGA-QGZVFWFLSA-N 0 0 422.254 4.042 20 5 HIBDRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302887539 854667060 /nfs/dbraw/zinc/66/70/60/854667060.db2.gz NXHITWBREKCSHI-UHFFFAOYSA-N 0 0 418.856 4.210 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1N1CCC[C@H](c3nc(-c4cccc(F)c4)no3)C1)CCN2 ZINC000302892910 854668212 /nfs/dbraw/zinc/66/82/12/854668212.db2.gz QBBFZLYTOPQPCB-AWEZNQCLSA-N 0 0 409.421 4.136 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1N1CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C1)CCN2 ZINC000302893021 854668217 /nfs/dbraw/zinc/66/82/17/854668217.db2.gz QEPXPJZOBZHNFI-AWEZNQCLSA-N 0 0 409.421 4.136 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000302898262 854671325 /nfs/dbraw/zinc/67/13/25/854671325.db2.gz MJWUINXOESRJFG-UHFFFAOYSA-N 0 0 417.849 4.262 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000302990219 854712189 /nfs/dbraw/zinc/71/21/89/854712189.db2.gz XFDLPUCWLOVKBX-UHFFFAOYSA-N 0 0 411.380 4.158 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)c1 ZINC000302996964 854715110 /nfs/dbraw/zinc/71/51/10/854715110.db2.gz YQAHVGTZTFRNIT-UHFFFAOYSA-N 0 0 419.890 4.458 20 5 HIBDRN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437328919 862598710 /nfs/dbraw/zinc/59/87/10/862598710.db2.gz NVHFSNISWGUPJJ-XOBRGWDASA-N 0 0 418.877 4.303 20 5 HIBDRN COc1cc(OCC(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] ZINC000303097927 854759152 /nfs/dbraw/zinc/75/91/52/854759152.db2.gz GJISZMDCGFTITQ-LLVKDONJSA-N 0 0 413.257 4.209 20 5 HIBDRN CCn1c(C)nnc1S[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000303112367 854766058 /nfs/dbraw/zinc/76/60/58/854766058.db2.gz GJHGXCIDQWIXLL-SFHVURJKSA-N 0 0 411.487 4.295 20 5 HIBDRN CCn1c(C)nnc1S[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000303112364 854766204 /nfs/dbraw/zinc/76/62/04/854766204.db2.gz GJHGXCIDQWIXLL-GOSISDBHSA-N 0 0 411.487 4.295 20 5 HIBDRN O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000303118405 854768997 /nfs/dbraw/zinc/76/89/97/854768997.db2.gz HWYDQMPXLKNYRC-INIZCTEOSA-N 0 0 416.865 4.065 20 5 HIBDRN CCc1cc(NCc2ccc3c(c2)OCCCO3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303151113 854787802 /nfs/dbraw/zinc/78/78/02/854787802.db2.gz FXZFECQQPVICST-UHFFFAOYSA-N 0 0 406.442 4.388 20 5 HIBDRN CC(C)COC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000303155194 854789754 /nfs/dbraw/zinc/78/97/54/854789754.db2.gz UCWRFLABBUPYPX-INIZCTEOSA-N 0 0 415.471 4.455 20 5 HIBDRN CCCCN(Cc1ccccc1Cl)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000303156285 854790328 /nfs/dbraw/zinc/79/03/28/854790328.db2.gz NVEIKUHDCSNDJW-OAHLLOKOSA-N 0 0 417.893 4.195 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000303157264 854791447 /nfs/dbraw/zinc/79/14/47/854791447.db2.gz GZKQNCRKTQMSEM-SFHVURJKSA-N 0 0 413.499 4.046 20 5 HIBDRN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000303296317 854858446 /nfs/dbraw/zinc/85/84/46/854858446.db2.gz LTOSJBNEFKMGNW-UHFFFAOYSA-N 0 0 408.458 4.404 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000303335550 854879038 /nfs/dbraw/zinc/87/90/38/854879038.db2.gz KLZCWZVKJMUTHB-UHFFFAOYSA-N 0 0 422.312 4.225 20 5 HIBDRN NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1 ZINC000303349720 854887268 /nfs/dbraw/zinc/88/72/68/854887268.db2.gz FQYMENQFQMCLJH-UHFFFAOYSA-N 0 0 411.801 4.392 20 5 HIBDRN Cc1sc2nc(C)nc(S[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2c1C ZINC000303426202 854927931 /nfs/dbraw/zinc/92/79/31/854927931.db2.gz VUYPEOJKETYEEY-OAHLLOKOSA-N 0 0 414.512 4.422 20 5 HIBDRN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)cc2F)n1 ZINC000303438639 854938173 /nfs/dbraw/zinc/93/81/73/854938173.db2.gz GXANHXVSZPOSRI-UHFFFAOYSA-N 0 0 420.404 4.179 20 5 HIBDRN CCCCN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H](CC)c1ccccc1 ZINC000303525471 855013718 /nfs/dbraw/zinc/01/37/18/855013718.db2.gz DUXZBNKJQYJYBD-GOSISDBHSA-N 0 0 411.458 4.283 20 5 HIBDRN O=[N+]([O-])c1ccc2nc(N[C@@H]3CCN(c4ccccc4OC(F)F)C3)ccc2c1 ZINC000303601808 855071457 /nfs/dbraw/zinc/07/14/57/855071457.db2.gz AEPLKWGCPLBSGY-CQSZACIVSA-N 0 0 400.385 4.435 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCOC[C@H]3CC(C)C)cc2[N+](=O)[O-])n1 ZINC000303682746 855129665 /nfs/dbraw/zinc/12/96/65/855129665.db2.gz ZHRXSRCHLYLAIK-OAHLLOKOSA-N 0 0 421.544 4.398 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N(CCc1ccccc1)C1CCCC1 ZINC000303687718 855133408 /nfs/dbraw/zinc/13/34/08/855133408.db2.gz OLCURDLHCXBVJE-UHFFFAOYSA-N 0 0 405.454 4.476 20 5 HIBDRN O=C(NCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000303689332 855135035 /nfs/dbraw/zinc/13/50/35/855135035.db2.gz MFSGOUNOFHDAHR-UHFFFAOYSA-N 0 0 408.201 4.273 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)C[C@@H](C)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000303702112 855141113 /nfs/dbraw/zinc/14/11/13/855141113.db2.gz OKBCYEIKBFAFKN-BEFAXECRSA-N 0 0 416.449 4.427 20 5 HIBDRN Cn1ccnc1[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000437364355 862651623 /nfs/dbraw/zinc/65/16/23/862651623.db2.gz KGSSATMIYRHZQA-INIZCTEOSA-N 0 0 422.338 4.006 20 5 HIBDRN O=[N+]([O-])c1c(N[C@H]2CCN(c3ccccc3OC(F)F)C2)ccc2ncccc21 ZINC000303713288 855146600 /nfs/dbraw/zinc/14/66/00/855146600.db2.gz ZMKJTORUGBHLNO-ZDUSSCGKSA-N 0 0 400.385 4.435 20 5 HIBDRN Cc1nc(C(C)(C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)sc1C ZINC000303764134 855182554 /nfs/dbraw/zinc/18/25/54/855182554.db2.gz IBCHWYJLJXRDOO-UHFFFAOYSA-N 0 0 405.523 4.280 20 5 HIBDRN Cc1ccc(NCCCNC(=O)c2ccc(F)cc2Br)c([N+](=O)[O-])c1 ZINC000303846950 855243116 /nfs/dbraw/zinc/24/31/16/855243116.db2.gz UINZNRKOHYFEGB-UHFFFAOYSA-N 0 0 410.243 4.037 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000303859516 855254705 /nfs/dbraw/zinc/25/47/05/855254705.db2.gz GFWJKWCNTNBRTN-RDTXWAMCSA-N 0 0 402.422 4.037 20 5 HIBDRN Cc1cccc([C@H]2CCCN2C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1C ZINC000303907212 855281564 /nfs/dbraw/zinc/28/15/64/855281564.db2.gz LYWURZJDPCPZTQ-LJQANCHMSA-N 0 0 423.469 4.263 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 ZINC000303933910 855301836 /nfs/dbraw/zinc/30/18/36/855301836.db2.gz RFXLUGINMPWNIQ-UHFFFAOYSA-N 0 0 408.483 4.170 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1C ZINC000303938958 855304793 /nfs/dbraw/zinc/30/47/93/855304793.db2.gz SGSVSCPCMZXPLF-ZDUSSCGKSA-N 0 0 407.264 4.230 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc(COCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000303966747 855327843 /nfs/dbraw/zinc/32/78/43/855327843.db2.gz YOYBLCYDKPUCFY-UHFFFAOYSA-N 0 0 408.458 4.154 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)c(C)c1[N+](=O)[O-] ZINC000303986526 855336512 /nfs/dbraw/zinc/33/65/12/855336512.db2.gz ZTSMTZZJCNXCJG-UHFFFAOYSA-N 0 0 409.446 4.241 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000304084968 855352001 /nfs/dbraw/zinc/35/20/01/855352001.db2.gz WIXZFKRAKOFDSI-YRNRMSPPSA-N 0 0 400.500 4.372 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@H](C)OC[C@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000437371397 862669475 /nfs/dbraw/zinc/66/94/75/862669475.db2.gz IHFQBEUEUOKFJT-STSQHVNTSA-N 0 0 423.513 4.433 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(Cl)c1Br ZINC000320294517 855388214 /nfs/dbraw/zinc/38/82/14/855388214.db2.gz OXLHMTQVOMKNMX-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000320313269 855388630 /nfs/dbraw/zinc/38/86/30/855388630.db2.gz CXRDWSQKUTWMRQ-SECBINFHSA-N 0 0 419.684 4.050 20 5 HIBDRN CCNc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)cc1[N+](=O)[O-] ZINC000325144795 855401753 /nfs/dbraw/zinc/40/17/53/855401753.db2.gz GCCAVAPWEZILHR-UHFFFAOYSA-N 0 0 400.179 4.320 20 5 HIBDRN C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000437373210 862675531 /nfs/dbraw/zinc/67/55/31/862675531.db2.gz LERKMKVCKYFJCF-KBXCAEBGSA-N 0 0 404.850 4.006 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000437377363 862684084 /nfs/dbraw/zinc/68/40/84/862684084.db2.gz VDEMIRVVEMNCHS-HBUWYVDXSA-N 0 0 404.850 4.004 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000437377365 862685109 /nfs/dbraw/zinc/68/51/09/862685109.db2.gz VDEMIRVVEMNCHS-LBTNJELSSA-N 0 0 404.850 4.004 20 5 HIBDRN COC(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 ZINC000409552413 855538288 /nfs/dbraw/zinc/53/82/88/855538288.db2.gz KWRVCEFCAUEKEB-UHFFFAOYSA-N 0 0 419.437 4.175 20 5 HIBDRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)nnc1-c1cccs1 ZINC000409572429 855545849 /nfs/dbraw/zinc/54/58/49/855545849.db2.gz ZZGJYVHWKLOSKY-UHFFFAOYSA-N 0 0 417.516 4.282 20 5 HIBDRN CCCn1nccc1C1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000409647196 855581563 /nfs/dbraw/zinc/58/15/63/855581563.db2.gz VPFDOHFTIJBXOT-UHFFFAOYSA-N 0 0 406.490 4.351 20 5 HIBDRN CCC[C@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000437383421 862698130 /nfs/dbraw/zinc/69/81/30/862698130.db2.gz KEHFDTLHUCKVQG-MRXNPFEDSA-N 0 0 416.259 4.242 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000437386437 862705932 /nfs/dbraw/zinc/70/59/32/862705932.db2.gz BKGGFYJQMWAEGP-OLMNPRSZSA-N 0 0 404.413 4.437 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000409815360 855668932 /nfs/dbraw/zinc/66/89/32/855668932.db2.gz BDFJZXFETIGJRL-QZTJIDSGSA-N 0 0 420.296 4.354 20 5 HIBDRN O=C(CCSCc1nnc(-c2ccccc2)s1)Nc1ccccc1[N+](=O)[O-] ZINC000409847884 855685334 /nfs/dbraw/zinc/68/53/34/855685334.db2.gz MQOHLOZJZUAQPS-UHFFFAOYSA-N 0 0 400.485 4.375 20 5 HIBDRN O=C(CCn1nc(-c2cccs2)c2ccccc2c1=O)Nc1ccccc1[N+](=O)[O-] ZINC000409854112 855689224 /nfs/dbraw/zinc/68/92/24/855689224.db2.gz RDIJLKWKUYVUPU-UHFFFAOYSA-N 0 0 420.450 4.062 20 5 HIBDRN C[C@H](NC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12)c1ccccc1[N+](=O)[O-] ZINC000409901388 855714262 /nfs/dbraw/zinc/71/42/62/855714262.db2.gz NFMWYIBHPPRPIX-LCIZUOBNSA-N 0 0 415.287 4.439 20 5 HIBDRN CC(C)(COCc1ccccc1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000409908719 855717920 /nfs/dbraw/zinc/71/79/20/855717920.db2.gz HKUNZBJFNICITG-UHFFFAOYSA-N 0 0 414.505 4.266 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cnccc2Oc2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000409963029 855747196 /nfs/dbraw/zinc/74/71/96/855747196.db2.gz MZIFDMFLVZTHLK-UHFFFAOYSA-N 0 0 407.382 4.129 20 5 HIBDRN Cc1nn(CCC(=O)N2C[C@@H](C)C[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000409970185 855752037 /nfs/dbraw/zinc/75/20/37/855752037.db2.gz ITERIIVYTDFKLZ-YVEFUNNKSA-N 0 0 424.423 4.427 20 5 HIBDRN O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)c1cccc([N+](=O)[O-])c1 ZINC000410002604 855773320 /nfs/dbraw/zinc/77/33/20/855773320.db2.gz JBJZUIVABGTFCD-UHFFFAOYSA-N 0 0 423.223 4.267 20 5 HIBDRN O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000410011580 855779480 /nfs/dbraw/zinc/77/94/80/855779480.db2.gz TYBDSWUYGJYPGC-UHFFFAOYSA-N 0 0 400.431 4.384 20 5 HIBDRN Cc1nnc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])n1[C@@H]1CCC[C@@H](C)C1 ZINC000410029452 855786541 /nfs/dbraw/zinc/78/65/41/855786541.db2.gz ZQJRZOQEYCOZJS-UKRRQHHQSA-N 0 0 403.508 4.367 20 5 HIBDRN CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000410035703 855789706 /nfs/dbraw/zinc/78/97/06/855789706.db2.gz XWMDXCJBSZTCEH-AWEZNQCLSA-N 0 0 402.426 4.395 20 5 HIBDRN CCCc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C(C)C)cc1 ZINC000410095828 855817164 /nfs/dbraw/zinc/81/71/64/855817164.db2.gz SZWTURPVAIBPJG-HXUWFJFHSA-N 0 0 418.515 4.078 20 5 HIBDRN C[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000410149552 855839678 /nfs/dbraw/zinc/83/96/78/855839678.db2.gz WJJYWMIJXNGNDP-CQSZACIVSA-N 0 0 422.407 4.206 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 ZINC000410225790 855869219 /nfs/dbraw/zinc/86/92/19/855869219.db2.gz VYEMFSRKDIQREE-UHFFFAOYSA-N 0 0 409.417 4.253 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC2)c1 ZINC000410227413 855869811 /nfs/dbraw/zinc/86/98/11/855869811.db2.gz NFPMCDUECAXFSZ-UHFFFAOYSA-N 0 0 424.375 4.306 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000410267720 855892149 /nfs/dbraw/zinc/89/21/49/855892149.db2.gz SAANCTMFEAEMIS-HOTGVXAUSA-N 0 0 414.531 4.014 20 5 HIBDRN CCC(=O)c1cc(Br)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000410272698 855894492 /nfs/dbraw/zinc/89/44/92/855894492.db2.gz XXMHOLRFRUQFOK-UHFFFAOYSA-N 0 0 421.247 4.276 20 5 HIBDRN C[C@H]1CCC[C@H]1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000410275439 855896115 /nfs/dbraw/zinc/89/61/15/855896115.db2.gz KWGJLWKWNBUDHX-HRAATJIYSA-N 0 0 404.470 4.295 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCc3ccccc32)CC1 ZINC000410290255 855906995 /nfs/dbraw/zinc/90/69/95/855906995.db2.gz VHYSVYAFSDSPMK-UHFFFAOYSA-N 0 0 411.527 4.374 20 5 HIBDRN O=C(c1cccc(Cn2ccnc2)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000410319784 855926699 /nfs/dbraw/zinc/92/66/99/855926699.db2.gz WLQYJKCLFWKRHZ-UHFFFAOYSA-N 0 0 418.375 4.044 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000410330090 855932353 /nfs/dbraw/zinc/93/23/53/855932353.db2.gz WTDVKXSNJWGFHU-OALUTQOASA-N 0 0 410.518 4.103 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)ccc1[N+](=O)[O-] ZINC000410400877 855975313 /nfs/dbraw/zinc/97/53/13/855975313.db2.gz CVDWSZIBIIKTGX-UHFFFAOYSA-N 0 0 402.300 4.001 20 5 HIBDRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000410421425 855989342 /nfs/dbraw/zinc/98/93/42/855989342.db2.gz MOOOSYGINDJQFL-AWEZNQCLSA-N 0 0 422.528 4.206 20 5 HIBDRN O=C(NCc1cccc(OCC(F)F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000425949542 856014855 /nfs/dbraw/zinc/01/48/55/856014855.db2.gz GCSVGZQSVCQCMU-UHFFFAOYSA-N 0 0 405.401 4.113 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000426052697 856075075 /nfs/dbraw/zinc/07/50/75/856075075.db2.gz ZAXTXOMPNZUWOX-OAHLLOKOSA-N 0 0 413.474 4.356 20 5 HIBDRN COc1cccc2c1CC[C@H]2NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426053240 856075264 /nfs/dbraw/zinc/07/52/64/856075264.db2.gz BFNNPGOWFKOIHO-MRXNPFEDSA-N 0 0 409.364 4.109 20 5 HIBDRN Cc1c(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cccc1C(=O)N1CCCC1 ZINC000426072622 856087449 /nfs/dbraw/zinc/08/74/49/856087449.db2.gz XTRVOTQRFMVYRT-UHFFFAOYSA-N 0 0 422.485 4.336 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000426141544 856136016 /nfs/dbraw/zinc/13/60/16/856136016.db2.gz SSUSYWDNOJSXDO-HSZRJFAPSA-N 0 0 414.477 4.099 20 5 HIBDRN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426183804 856161012 /nfs/dbraw/zinc/16/10/12/856161012.db2.gz QMCMFCWOAZALSE-HOTGVXAUSA-N 0 0 403.401 4.007 20 5 HIBDRN CCSc1cc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccn1 ZINC000426187793 856164310 /nfs/dbraw/zinc/16/43/10/856164310.db2.gz DLQOFFMOYHXAOE-UHFFFAOYSA-N 0 0 414.409 4.120 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000426204561 856175041 /nfs/dbraw/zinc/17/50/41/856175041.db2.gz QJUSLABKTAOYNB-FUHWJXTLSA-N 0 0 423.391 4.333 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cn(C)nc2C(F)(F)F)no1 ZINC000426205666 856175676 /nfs/dbraw/zinc/17/56/76/856175676.db2.gz WZTIAEKDGKMLQW-SSDOTTSWSA-N 0 0 417.731 4.191 20 5 HIBDRN Cc1c(Br)cc(-c2nc(-c3cn(C)nc3C(C)C)no2)cc1[N+](=O)[O-] ZINC000426211139 856178193 /nfs/dbraw/zinc/17/81/93/856178193.db2.gz RZWMTTNGNKBRDB-UHFFFAOYSA-N 0 0 406.240 4.240 20 5 HIBDRN CC1(C)CC[C@@H]2C[C@H](NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c3cccc1c32 ZINC000426214924 856180962 /nfs/dbraw/zinc/18/09/62/856180962.db2.gz QEHOQQUBDPQFKX-BEFAXECRSA-N 0 0 423.517 4.438 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)o2)cs1 ZINC000426248032 856201321 /nfs/dbraw/zinc/20/13/21/856201321.db2.gz JVJFSNMRWOCLTA-UHFFFAOYSA-N 0 0 412.471 4.494 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc(O)c(COC(C)C)c2)cc1[N+](=O)[O-] ZINC000426254710 856205116 /nfs/dbraw/zinc/20/51/16/856205116.db2.gz WLBVMFSMVOLCDE-UHFFFAOYSA-N 0 0 420.487 4.106 20 5 HIBDRN COc1ccc(CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C2CC2)cc1 ZINC000426267345 856211418 /nfs/dbraw/zinc/21/14/18/856211418.db2.gz OULDGLSLHWTUDR-UHFFFAOYSA-N 0 0 423.391 4.496 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000426282877 856219870 /nfs/dbraw/zinc/21/98/70/856219870.db2.gz KRTXJOOWIHHXML-UHFFFAOYSA-N 0 0 402.863 4.262 20 5 HIBDRN CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](C)Cc1ccsc1 ZINC000426292200 856225265 /nfs/dbraw/zinc/22/52/65/856225265.db2.gz DOQQFXUXFKAMHQ-MRXNPFEDSA-N 0 0 401.532 4.352 20 5 HIBDRN Cc1cc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)nc(N2CCCC2)n1 ZINC000426312350 856239170 /nfs/dbraw/zinc/23/91/70/856239170.db2.gz JBRCTXIBBQQFGN-QFIPXVFZSA-N 0 0 403.486 4.173 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000426351306 856256361 /nfs/dbraw/zinc/25/63/61/856256361.db2.gz HZJZKGNSZMNYHZ-JOCHJYFZSA-N 0 0 415.453 4.033 20 5 HIBDRN C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1Cl ZINC000426356976 856258503 /nfs/dbraw/zinc/25/85/03/856258503.db2.gz OCGJDDVQVRWHHT-NSHDSACASA-N 0 0 412.277 4.206 20 5 HIBDRN CCCc1nc(C)c(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)o1 ZINC000426450327 856297181 /nfs/dbraw/zinc/29/71/81/856297181.db2.gz LDFJLHSRRMYSLH-UHFFFAOYSA-N 0 0 407.224 4.247 20 5 HIBDRN CC[C@@]1(CO)CCCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000426462700 856303347 /nfs/dbraw/zinc/30/33/47/856303347.db2.gz RVMULIXCQXUCFP-JTHBVZDNSA-N 0 0 411.502 4.068 20 5 HIBDRN COCCN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426497798 856320938 /nfs/dbraw/zinc/32/09/38/856320938.db2.gz FPARMZXERXFGJR-INIZCTEOSA-N 0 0 406.866 4.278 20 5 HIBDRN COc1cc(F)c([C@@H](C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000426528532 856335462 /nfs/dbraw/zinc/33/54/62/856335462.db2.gz ZPTYAEZTTRVIAD-CYBMUJFWSA-N 0 0 417.437 4.186 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc(C(C)(F)F)cc3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000426605507 856370482 /nfs/dbraw/zinc/37/04/82/856370482.db2.gz OIPVEHFTDQLVDM-UHFFFAOYSA-N 0 0 405.357 4.365 20 5 HIBDRN C[C@@H](CCCC(=O)[O-])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000426653871 856396210 /nfs/dbraw/zinc/39/62/10/856396210.db2.gz GKNVTDOYHBCYIU-NSHDSACASA-N 0 0 411.252 4.350 20 5 HIBDRN C[C@@H](CCC(=O)[O-])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000426657209 856396963 /nfs/dbraw/zinc/39/69/63/856396963.db2.gz MKYSQCIKICRGHT-NSHDSACASA-N 0 0 411.252 4.208 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426672782 856405820 /nfs/dbraw/zinc/40/58/20/856405820.db2.gz BYMZOXJCFDMMKF-FQEVSTJZSA-N 0 0 405.410 4.122 20 5 HIBDRN CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(C(=O)N2C[C@H](C)C[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000426709198 856425902 /nfs/dbraw/zinc/42/59/02/856425902.db2.gz BKFVYDCPOVPFEO-IDCNUPLLSA-N 0 0 401.507 4.116 20 5 HIBDRN CO[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000426711790 856427077 /nfs/dbraw/zinc/42/70/77/856427077.db2.gz ROZMQMDNSLHODX-JOCHJYFZSA-N 0 0 424.428 4.430 20 5 HIBDRN O=C([O-])[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426735470 856443401 /nfs/dbraw/zinc/44/34/01/856443401.db2.gz TURQGMCEBDAUIT-QGZVFWFLSA-N 0 0 417.874 4.157 20 5 HIBDRN C[C@]1(C(=O)[O-])CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426747217 856451108 /nfs/dbraw/zinc/45/11/08/856451108.db2.gz NSHQBWOAKGRVBS-OFNKIYASSA-N 0 0 420.469 4.181 20 5 HIBDRN C[C@]1(C(=O)[O-])CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426747218 856451657 /nfs/dbraw/zinc/45/16/57/856451657.db2.gz NSHQBWOAKGRVBS-REWPJTCUSA-N 0 0 420.469 4.181 20 5 HIBDRN CC(C)(C)Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n[nH]1 ZINC000426765208 856466040 /nfs/dbraw/zinc/46/60/40/856466040.db2.gz KTTUIKJWDBVRIJ-UHFFFAOYSA-N 0 0 408.458 4.738 20 5 HIBDRN O=C([O-])[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC000426766210 856466526 /nfs/dbraw/zinc/46/65/26/856466526.db2.gz XVFDGXKTAKKLLC-HXUWFJFHSA-N 0 0 412.373 4.147 20 5 HIBDRN COc1cc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426789875 856478833 /nfs/dbraw/zinc/47/88/33/856478833.db2.gz YFYJWHRHDNLGAX-JOCHJYFZSA-N 0 0 422.437 4.098 20 5 HIBDRN COc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1OC ZINC000426808476 856489866 /nfs/dbraw/zinc/48/98/66/856489866.db2.gz RNCMFXBNXLJWLA-QGZVFWFLSA-N 0 0 402.447 4.041 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1Cl ZINC000426815332 856494503 /nfs/dbraw/zinc/49/45/03/856494503.db2.gz KMCBMINSOPYNCC-MRVPVSSYSA-N 0 0 416.648 4.371 20 5 HIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000426818581 856496438 /nfs/dbraw/zinc/49/64/38/856496438.db2.gz SELRDUCTZKXJTC-INIZCTEOSA-N 0 0 423.450 4.250 20 5 HIBDRN COc1ccc([C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C(=O)[O-])cc1F ZINC000426825656 856501179 /nfs/dbraw/zinc/50/11/79/856501179.db2.gz QVNVMEVVXAMVLJ-LJQANCHMSA-N 0 0 416.430 4.387 20 5 HIBDRN O=C(NCc1nc(CNc2ccc([N+](=O)[O-])c3cnccc23)cs1)c1ccccc1 ZINC000426880780 856525174 /nfs/dbraw/zinc/52/51/74/856525174.db2.gz FWNYWAYHWUHVRO-UHFFFAOYSA-N 0 0 419.466 4.142 20 5 HIBDRN O=C(NCc1nc(CNc2ccc([N+](=O)[O-])cc2Cl)cs1)c1ccccc1 ZINC000426882723 856525913 /nfs/dbraw/zinc/52/59/13/856525913.db2.gz KQXVXADDZLSPAX-UHFFFAOYSA-N 0 0 402.863 4.247 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000426918380 856541453 /nfs/dbraw/zinc/54/14/53/856541453.db2.gz ZYVQXHDKOAZVMK-UHFFFAOYSA-N 0 0 422.485 4.479 20 5 HIBDRN COc1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)ccc1C(F)(F)F ZINC000426939002 856552407 /nfs/dbraw/zinc/55/24/07/856552407.db2.gz BMBDPSFMAXZBSL-UHFFFAOYSA-N 0 0 406.263 4.476 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)c(OC)c2)cc([N+](=O)[O-])c1 ZINC000426941438 856553221 /nfs/dbraw/zinc/55/32/21/856553221.db2.gz XSIXJAZJTLQNFY-UHFFFAOYSA-N 0 0 412.320 4.051 20 5 HIBDRN C[C@@H](Cc1cccc(O)c1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427049989 856611039 /nfs/dbraw/zinc/61/10/39/856611039.db2.gz UOBGEYKZHMHEEO-INIZCTEOSA-N 0 0 406.438 4.240 20 5 HIBDRN CC(C)(C)[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@H]1O ZINC000427079925 856624474 /nfs/dbraw/zinc/62/44/74/856624474.db2.gz ZWAVEENNLFCTSH-PZJWPPBQSA-N 0 0 412.486 4.043 20 5 HIBDRN CC(C)(C)[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000427079923 856624777 /nfs/dbraw/zinc/62/47/77/856624777.db2.gz ZWAVEENNLFCTSH-CTNGQTDRSA-N 0 0 412.486 4.043 20 5 HIBDRN Cc1cnc([C@@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 ZINC000427081070 856625978 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HIBDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000427215769 856716803 /nfs/dbraw/zinc/71/68/03/856716803.db2.gz CJORBSOVJKDTQE-NSHDSACASA-N 0 0 420.347 4.078 20 5 HIBDRN CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000427233990 856727472 /nfs/dbraw/zinc/72/74/72/856727472.db2.gz IGYQNGAULOZUKG-RTBURBONSA-N 0 0 416.547 4.251 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1C ZINC000427277841 856747428 /nfs/dbraw/zinc/74/74/28/856747428.db2.gz ZQUQSNUTDRWEQQ-UHFFFAOYSA-N 0 0 421.457 4.149 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3cc(C)ccc3n2-c2ccc(C)cc2)n1 ZINC000427368706 856797523 /nfs/dbraw/zinc/79/75/23/856797523.db2.gz YMIFNGUULGLDAU-UHFFFAOYSA-N 0 0 404.430 4.019 20 5 HIBDRN O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000427383377 856802720 /nfs/dbraw/zinc/80/27/20/856802720.db2.gz RJNKNRJQYCHENC-UHFFFAOYSA-N 0 0 424.438 4.040 20 5 HIBDRN 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CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000429943593 857960956 /nfs/dbraw/zinc/96/09/56/857960956.db2.gz JZIKBUQRGQJRFF-UHFFFAOYSA-N 0 0 406.236 4.267 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1C ZINC000429960753 857971642 /nfs/dbraw/zinc/97/16/42/857971642.db2.gz IVJLJBVGVOSWOA-UHFFFAOYSA-N 0 0 415.405 4.265 20 5 HIBDRN CCC(CC)N(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCCc2cccnc21 ZINC000430126689 858042936 /nfs/dbraw/zinc/04/29/36/858042936.db2.gz VSLIDHMJFDHIEC-IBGZPJMESA-N 0 0 413.522 4.288 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CN[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000430202352 858080026 /nfs/dbraw/zinc/08/00/26/858080026.db2.gz GDTWMGNWDKIGOW-JOCHJYFZSA-N 0 0 402.454 4.369 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000430379600 858140176 /nfs/dbraw/zinc/14/01/76/858140176.db2.gz PDZCKCAOCNABNE-QFBILLFUSA-N 0 0 409.829 4.012 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000430438062 858163108 /nfs/dbraw/zinc/16/31/08/858163108.db2.gz LRLMDDWQEGQMLS-HZPDHXFCSA-N 0 0 415.660 4.285 20 5 HIBDRN C[C@@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000430439935 858164760 /nfs/dbraw/zinc/16/47/60/858164760.db2.gz KTLXWOGCFDHWNW-OAHLLOKOSA-N 0 0 405.410 4.160 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)ccc1[N+](=O)[O-] ZINC000430539483 858211613 /nfs/dbraw/zinc/21/16/13/858211613.db2.gz LKMQKSADXTYXOQ-UHFFFAOYSA-N 0 0 406.822 4.139 20 5 HIBDRN CC(C)(NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430542237 858212306 /nfs/dbraw/zinc/21/23/06/858212306.db2.gz VPZXUMSGOQCFGT-UHFFFAOYSA-N 0 0 408.458 4.004 20 5 HIBDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000430544862 858213317 /nfs/dbraw/zinc/21/33/17/858213317.db2.gz AAQHTVBUJFAMFI-GOSISDBHSA-N 0 0 423.513 4.115 20 5 HIBDRN CC(C)(NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000430544531 858213746 /nfs/dbraw/zinc/21/37/46/858213746.db2.gz ONCGMYQEMXFPSV-UHFFFAOYSA-N 0 0 415.453 4.053 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)ccc1[N+](=O)[O-] ZINC000430549676 858214789 /nfs/dbraw/zinc/21/47/89/858214789.db2.gz IZQAGCRIGANOPE-UHFFFAOYSA-N 0 0 408.458 4.289 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ncc1Br ZINC000430604135 858235180 /nfs/dbraw/zinc/23/51/80/858235180.db2.gz PAFIMMFOVZXSHT-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN Cc1cnn(-c2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2F)c1 ZINC000430626611 858240701 /nfs/dbraw/zinc/24/07/01/858240701.db2.gz RRIJYECXCNXPLC-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430630714 858241832 /nfs/dbraw/zinc/24/18/32/858241832.db2.gz SFDWWJAYMWQZMG-ZFWWWQNUSA-N 0 0 403.276 4.451 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)Nc3cn(C)c(=O)cc3C)cc2[N+](=O)[O-])cc1 ZINC000430638313 858244004 /nfs/dbraw/zinc/24/40/04/858244004.db2.gz FHIPRXMXUWQIJA-UHFFFAOYSA-N 0 0 409.467 4.314 20 5 HIBDRN Cc1cc(OCC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)ccc1[N+](=O)[O-] ZINC000430789442 858305956 /nfs/dbraw/zinc/30/59/56/858305956.db2.gz UJSHDKITWJISJZ-UHFFFAOYSA-N 0 0 418.862 4.016 20 5 HIBDRN COCc1nc2cc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)ccc2o1 ZINC000430793369 858307627 /nfs/dbraw/zinc/30/76/27/858307627.db2.gz LOXPDWXHCARAPT-UHFFFAOYSA-N 0 0 410.411 4.258 20 5 HIBDRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000430902516 858361784 /nfs/dbraw/zinc/36/17/84/858361784.db2.gz BRLRDGNQUWZZBZ-LLVKDONJSA-N 0 0 424.284 4.071 20 5 HIBDRN CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430932661 858374596 /nfs/dbraw/zinc/37/45/96/858374596.db2.gz GSHUYWIRWPGWKT-UHFFFAOYSA-N 0 0 412.627 4.221 20 5 HIBDRN Cc1ccc(NC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000431094155 858444502 /nfs/dbraw/zinc/44/45/02/858444502.db2.gz QFIOUWLUKVMZOM-NSHDSACASA-N 0 0 401.810 4.489 20 5 HIBDRN COCCCOc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000431122090 858455605 /nfs/dbraw/zinc/45/56/05/858455605.db2.gz YTOKDZBQTHYIQZ-UHFFFAOYSA-N 0 0 401.463 4.453 20 5 HIBDRN COc1c(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000431132896 858462207 /nfs/dbraw/zinc/46/22/07/858462207.db2.gz PMIRBHDAPRZILO-OAHLLOKOSA-N 0 0 423.238 4.482 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1[N+](=O)[O-] ZINC000431165059 858480965 /nfs/dbraw/zinc/48/09/65/858480965.db2.gz BOTCUWLDUWCKMM-DZGCQCFKSA-N 0 0 405.248 4.042 20 5 HIBDRN COc1ccc(O[C@@H](C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000431174353 858486993 /nfs/dbraw/zinc/48/69/93/858486993.db2.gz BHUXMTZETNAGCA-NSHDSACASA-N 0 0 409.236 4.080 20 5 HIBDRN Cc1c(NC(=O)CCc2ccc3c(c2)OCCO3)cc(Br)cc1[N+](=O)[O-] ZINC000431178395 858489566 /nfs/dbraw/zinc/48/95/66/858489566.db2.gz KICWQNIKRNQBQY-UHFFFAOYSA-N 0 0 421.247 4.008 20 5 HIBDRN CO[C@@H](C)c1nc(C)c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000431183008 858492036 /nfs/dbraw/zinc/49/20/36/858492036.db2.gz WFQKXSWLXKUMAU-VIFPVBQESA-N 0 0 414.281 4.390 20 5 HIBDRN Cc1c(NC(=O)[C@@H]2CCCN2c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000431183670 858493317 /nfs/dbraw/zinc/49/33/17/858493317.db2.gz QBIBMWZADNMNDZ-INIZCTEOSA-N 0 0 404.264 4.273 20 5 HIBDRN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000431219362 858512316 /nfs/dbraw/zinc/51/23/16/858512316.db2.gz FHUGGJIBPWFLEW-UHFFFAOYSA-N 0 0 419.268 4.478 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000431221260 858513053 /nfs/dbraw/zinc/51/30/53/858513053.db2.gz LYTCGOWMPABMSA-UHFFFAOYSA-N 0 0 402.147 4.220 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1OC ZINC000431225390 858515829 /nfs/dbraw/zinc/51/58/29/858515829.db2.gz OAGQVOJYMDZVIP-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN CSc1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c2ccccn12 ZINC000431257430 858535572 /nfs/dbraw/zinc/53/55/72/858535572.db2.gz TZGSOAVSONSCQG-UHFFFAOYSA-N 0 0 421.276 4.288 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000431263277 858538226 /nfs/dbraw/zinc/53/82/26/858538226.db2.gz ACBWUZUBMTXMCK-CKJXQJPGSA-N 0 0 422.547 4.286 20 5 HIBDRN COc1ccc2nc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)ccc2c1 ZINC000431262824 858538358 /nfs/dbraw/zinc/53/83/58/858538358.db2.gz IUXALBNDYOTFJT-UHFFFAOYSA-N 0 0 416.231 4.475 20 5 HIBDRN Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000431345796 858573536 /nfs/dbraw/zinc/57/35/36/858573536.db2.gz ACIOUZRFJHMVID-QGZVFWFLSA-N 0 0 403.866 4.399 20 5 HIBDRN CC(C)(NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000431395569 858592895 /nfs/dbraw/zinc/59/28/95/858592895.db2.gz DYZJFCKQKTUSDX-UHFFFAOYSA-N 0 0 410.474 4.324 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCSC2(CCCCC2)C1 ZINC000431405785 858599146 /nfs/dbraw/zinc/59/91/46/858599146.db2.gz JNQSWFJQAOLCSA-UHFFFAOYSA-N 0 0 401.435 4.480 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000431425539 858608214 /nfs/dbraw/zinc/60/82/14/858608214.db2.gz CVVRDNIHTUXMSK-JTQLQIEISA-N 0 0 421.226 4.417 20 5 HIBDRN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431438135 858614602 /nfs/dbraw/zinc/61/46/02/858614602.db2.gz HGZFAEPYBKTOAH-KRWDZBQOSA-N 0 0 421.247 4.167 20 5 HIBDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000431439627 858615419 /nfs/dbraw/zinc/61/54/19/858615419.db2.gz VMLPOINFBODQJZ-UHFFFAOYSA-N 0 0 423.391 4.112 20 5 HIBDRN CN(c1ccccc1)C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000431476407 858635336 /nfs/dbraw/zinc/63/53/36/858635336.db2.gz HSPKYDBCNWFGSE-UHFFFAOYSA-N 0 0 418.291 4.098 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000431498593 858644400 /nfs/dbraw/zinc/64/44/00/858644400.db2.gz ALERSHNDSKAXOY-DIFFPNOSSA-N 0 0 423.238 4.099 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(CO)(c3ccccc3)CC2)nc1OCc1ccccc1 ZINC000431500846 858645508 /nfs/dbraw/zinc/64/55/08/858645508.db2.gz UJYZFQXWNWUMDD-UHFFFAOYSA-N 0 0 419.481 4.099 20 5 HIBDRN CCc1noc(-c2ccc(C)c(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000431519846 858654690 /nfs/dbraw/zinc/65/46/90/858654690.db2.gz PBIXZMPQMAIBSI-UHFFFAOYSA-N 0 0 409.446 4.346 20 5 HIBDRN COc1ccc(N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)C2CC2)cc1 ZINC000431569403 858673142 /nfs/dbraw/zinc/67/31/42/858673142.db2.gz FKCRMMHFUPXCGY-HNNXBMFYSA-N 0 0 421.453 4.362 20 5 HIBDRN Cc1nc(-c2ccc(C)c(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2)n[nH]1 ZINC000431617187 858691706 /nfs/dbraw/zinc/69/17/06/858691706.db2.gz AURGYCJGQMDARQ-UHFFFAOYSA-N 0 0 416.235 4.012 20 5 HIBDRN CCc1ccnc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000437732057 863060823 /nfs/dbraw/zinc/06/08/23/863060823.db2.gz LKPXCVXJJOTZQU-HNNXBMFYSA-N 0 0 405.458 4.050 20 5 HIBDRN O=C1[C@@H]2C[C@H](C3CCCCC3)CN2C(=O)N1CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000431753207 858788941 /nfs/dbraw/zinc/78/89/41/858788941.db2.gz NJGOOZONDKTHPI-YJBOKZPZSA-N 0 0 405.882 4.024 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000437736265 863064525 /nfs/dbraw/zinc/06/45/25/863064525.db2.gz MRUVHSVQXJIDGT-KZULUSFZSA-N 0 0 410.396 4.118 20 5 HIBDRN CCOC(=O)c1ccnc(N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1[N+](=O)[O-] ZINC000431836106 858833637 /nfs/dbraw/zinc/83/36/37/858833637.db2.gz QSGYVRINRZCGLO-SNVBAGLBSA-N 0 0 417.809 4.043 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000431912622 858867564 /nfs/dbraw/zinc/86/75/64/858867564.db2.gz JNHSMKWHVDWWHJ-SAZUREKKSA-N 0 0 411.355 4.498 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCSC[C@@H]1c1ccccc1 ZINC000431946256 858882115 /nfs/dbraw/zinc/88/21/15/858882115.db2.gz OCCZUJQFYAKIKN-MRXNPFEDSA-N 0 0 407.289 4.288 20 5 HIBDRN COc1ccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000431962874 858890193 /nfs/dbraw/zinc/89/01/93/858890193.db2.gz BKFSUXIKGNMZQF-UHFFFAOYSA-N 0 0 422.279 4.100 20 5 HIBDRN Cc1oncc1C(=O)Nc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000432042527 858945425 /nfs/dbraw/zinc/94/54/25/858945425.db2.gz XGMFQDRHSHUEID-UHFFFAOYSA-N 0 0 408.414 4.060 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(Nc2cccc(Oc3ncc(Br)cn3)c2)n1 ZINC000432040943 858946028 /nfs/dbraw/zinc/94/60/28/858946028.db2.gz JBBRICHILAKCEN-UHFFFAOYSA-N 0 0 402.208 4.387 20 5 HIBDRN CCOc1ccccc1CN(CCCn1ccnc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000432065750 858963439 /nfs/dbraw/zinc/96/34/39/858963439.db2.gz ZEYZZZGNCOIERZ-UHFFFAOYSA-N 0 0 415.881 4.335 20 5 HIBDRN CC(C)(c1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1)C(F)(F)F ZINC000432072721 858968867 /nfs/dbraw/zinc/96/88/67/858968867.db2.gz AMTOHMLZQSHTRM-UHFFFAOYSA-N 0 0 416.421 4.419 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N(CCO)[C@H]1CCCSC1 ZINC000432166293 859025847 /nfs/dbraw/zinc/02/58/47/859025847.db2.gz KQGXSLROXUAASK-KRWDZBQOSA-N 0 0 417.487 4.109 20 5 HIBDRN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC[C@H]1c1ccccc1 ZINC000432187865 859037526 /nfs/dbraw/zinc/03/75/26/859037526.db2.gz XPJHGNFBMYHTQY-SJLPKXTDSA-N 0 0 405.454 4.174 20 5 HIBDRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)o1 ZINC000432191811 859039899 /nfs/dbraw/zinc/03/98/99/859039899.db2.gz KPJPYMLXZSQLDO-KDOFPFPSSA-N 0 0 409.442 4.423 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000432318867 859100859 /nfs/dbraw/zinc/10/08/59/859100859.db2.gz VKLOUSKKLUZMPT-LJQANCHMSA-N 0 0 424.453 4.039 20 5 HIBDRN Cc1cc(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000432366979 859124811 /nfs/dbraw/zinc/12/48/11/859124811.db2.gz DVCQYFLVXPZEOB-AWEZNQCLSA-N 0 0 417.771 4.431 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC(c3ncc(C)s3)CC2)cc1[N+](=O)[O-] ZINC000432466301 859176981 /nfs/dbraw/zinc/17/69/81/859176981.db2.gz SHPZYHNNULDOQV-UHFFFAOYSA-N 0 0 421.544 4.008 20 5 HIBDRN O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000432477417 859183431 /nfs/dbraw/zinc/18/34/31/859183431.db2.gz KWNQYWJBQURDKA-KRWDZBQOSA-N 0 0 423.391 4.235 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000432589419 859242397 /nfs/dbraw/zinc/24/23/97/859242397.db2.gz VESWNLWLHDMFMK-IBGZPJMESA-N 0 0 421.453 4.284 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NCc3ncoc3-c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000467587941 881401249 /nfs/dbraw/zinc/40/12/49/881401249.db2.gz GJXQPBYXSSPYKE-UHFFFAOYSA-N 0 0 420.469 4.416 20 5 HIBDRN Cc1c(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cccc1C(=O)N1CCCC1 ZINC000432814276 859372366 /nfs/dbraw/zinc/37/23/66/859372366.db2.gz TYJOZBSVMYBPRX-UHFFFAOYSA-N 0 0 410.474 4.196 20 5 HIBDRN COc1cc(OCC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000432844978 859385603 /nfs/dbraw/zinc/38/56/03/859385603.db2.gz GQPGZEJOAJLHSP-QGZVFWFLSA-N 0 0 406.385 4.014 20 5 HIBDRN COc1ccccc1-c1noc(C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000432847126 859386574 /nfs/dbraw/zinc/38/65/74/859386574.db2.gz RYKSBSUVNMWDMG-UHFFFAOYSA-N 0 0 415.837 4.086 20 5 HIBDRN Cc1cc(C)c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c(Br)c1 ZINC000432863681 859394623 /nfs/dbraw/zinc/39/46/23/859394623.db2.gz BXDYTAWBICNLKE-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN COc1ccccc1CSc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000432871877 859399807 /nfs/dbraw/zinc/39/98/07/859399807.db2.gz JROIJQYNRQJTKK-UHFFFAOYSA-N 0 0 412.471 4.121 20 5 HIBDRN Cc1c(NC(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)cccc1[N+](=O)[O-] ZINC000432885382 859407727 /nfs/dbraw/zinc/40/77/27/859407727.db2.gz KYNOHQQCIRGMDX-UHFFFAOYSA-N 0 0 424.482 4.108 20 5 HIBDRN CC(C)(NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(C(F)(F)F)on1 ZINC000432910315 859424488 /nfs/dbraw/zinc/42/44/88/859424488.db2.gz CPZZLZWLCLLQSR-UHFFFAOYSA-N 0 0 424.282 4.260 20 5 HIBDRN O=C(c1cc(NC[C@H]2CCCN(c3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000432922452 859432636 /nfs/dbraw/zinc/43/26/36/859432636.db2.gz NPNHEVYMNZVNQT-GOSISDBHSA-N 0 0 408.502 4.159 20 5 HIBDRN C[C@@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@]1=O ZINC000433052403 859501989 /nfs/dbraw/zinc/50/19/89/859501989.db2.gz MFTOKKPDVCBZEM-LOKFHWFJSA-N 0 0 408.907 4.383 20 5 HIBDRN CC[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(=O)OC ZINC000467629230 881429173 /nfs/dbraw/zinc/42/91/73/881429173.db2.gz JQKOXSULUQYUTF-AWEZNQCLSA-N 0 0 408.863 4.081 20 5 HIBDRN O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000433067315 859506844 /nfs/dbraw/zinc/50/68/44/859506844.db2.gz KGVBOPUQNACKDA-UHFFFAOYSA-N 0 0 419.397 4.291 20 5 HIBDRN COc1ccc([C@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2nccn2C)cc1 ZINC000433137493 859535823 /nfs/dbraw/zinc/53/58/23/859535823.db2.gz UCGVOZLVUNJJQX-RTWAWAEBSA-N 0 0 406.486 4.439 20 5 HIBDRN CN(C[C@@H](O)Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000433169859 859551753 /nfs/dbraw/zinc/55/17/53/859551753.db2.gz TWTUBBWAKJRVLS-FQEVSTJZSA-N 0 0 421.453 4.454 20 5 HIBDRN Cc1cccc(NC2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)c1 ZINC000433175166 859555269 /nfs/dbraw/zinc/55/52/69/859555269.db2.gz OSHAXAUWOFUZRN-UHFFFAOYSA-N 0 0 418.291 4.382 20 5 HIBDRN CC(C)(NC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000433176236 859555681 /nfs/dbraw/zinc/55/56/81/859555681.db2.gz QDITVEAAJDIAFH-OAHLLOKOSA-N 0 0 417.437 4.349 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(F)c(Cl)c1 ZINC000433254551 859594781 /nfs/dbraw/zinc/59/47/81/859594781.db2.gz YEASPPVHYDJQLA-JTQLQIEISA-N 0 0 400.237 4.500 20 5 HIBDRN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000433271766 859606777 /nfs/dbraw/zinc/60/67/77/859606777.db2.gz NTUNPCWYMKKGNG-PGRDOPGGSA-N 0 0 411.502 4.268 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)N2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433306131 859629247 /nfs/dbraw/zinc/62/92/47/859629247.db2.gz REQKORHCABGDJH-ZFWWWQNUSA-N 0 0 403.866 4.073 20 5 HIBDRN Cc1oc2nc(CSc3ccc(Br)cc3[N+](=O)[O-])nc(N)c2c1C ZINC000433391459 859671879 /nfs/dbraw/zinc/67/18/79/859671879.db2.gz VPHZHGMEDNJQBQ-UHFFFAOYSA-N 0 0 409.265 4.385 20 5 HIBDRN CCN(C[C@H]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1)CC(F)(F)F ZINC000433417236 859688646 /nfs/dbraw/zinc/68/86/46/859688646.db2.gz JLFYOVKWAYYNGA-OAHLLOKOSA-N 0 0 423.439 4.071 20 5 HIBDRN O=C(c1occc1Br)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000433421658 859691034 /nfs/dbraw/zinc/69/10/34/859691034.db2.gz JBNXPWZVYIUGMZ-UHFFFAOYSA-N 0 0 407.142 4.155 20 5 HIBDRN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000433545628 859767181 /nfs/dbraw/zinc/76/71/81/859767181.db2.gz SVLJCMATKIAKOV-OSPHWJPCSA-N 0 0 412.489 4.005 20 5 HIBDRN O=[N+]([O-])c1cnc(NCc2nccn2CCCc2ccccc2)c(Br)c1 ZINC000433647473 859823375 /nfs/dbraw/zinc/82/33/75/859823375.db2.gz WYNWBYVKJKISAT-UHFFFAOYSA-N 0 0 416.279 4.194 20 5 HIBDRN CC(=O)Nc1ccc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cn1 ZINC000433672311 859833794 /nfs/dbraw/zinc/83/37/94/859833794.db2.gz ATSVUGWVDGBUEQ-UHFFFAOYSA-N 0 0 422.466 4.029 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c1[N+](=O)[O-] ZINC000433774252 859887389 /nfs/dbraw/zinc/88/73/89/859887389.db2.gz KYBKCKHXNJOFDN-UHFFFAOYSA-N 0 0 423.260 4.245 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000433825846 859916011 /nfs/dbraw/zinc/91/60/11/859916011.db2.gz IZPFRNNTAJELNM-CYBMUJFWSA-N 0 0 416.478 4.262 20 5 HIBDRN CC(=O)Nc1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1F ZINC000433869586 859942760 /nfs/dbraw/zinc/94/27/60/859942760.db2.gz SMNDOVDSMBPPLE-UHFFFAOYSA-N 0 0 414.418 4.092 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000433894411 859953855 /nfs/dbraw/zinc/95/38/55/859953855.db2.gz BKJLBSSKTALBRS-GOSISDBHSA-N 0 0 401.850 4.234 20 5 HIBDRN Cc1c(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)noc1-c1ccccc1F ZINC000433925615 859976745 /nfs/dbraw/zinc/97/67/45/859976745.db2.gz HLNNJDUYBSOZLL-UHFFFAOYSA-N 0 0 404.785 4.672 20 5 HIBDRN CCNc1ccc(C(=O)N(Cc2cccc(C)n2)Cc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000434045660 860060667 /nfs/dbraw/zinc/06/06/67/860060667.db2.gz HGEJGLYQJUMAIO-UHFFFAOYSA-N 0 0 419.485 4.276 20 5 HIBDRN CC1(C)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H]1c1ccccc1 ZINC000434082010 860089682 /nfs/dbraw/zinc/08/96/82/860089682.db2.gz HLXHOUUQDXGMLN-FQEVSTJZSA-N 0 0 407.514 4.463 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1C(=O)N(C)C ZINC000434184887 860175492 /nfs/dbraw/zinc/17/54/92/860175492.db2.gz VWVGUVTVTZPAGX-HNNXBMFYSA-N 0 0 424.501 4.094 20 5 HIBDRN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434229157 860214517 /nfs/dbraw/zinc/21/45/17/860214517.db2.gz USNMSNLRMPUIET-UHFFFAOYSA-N 0 0 407.430 4.254 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)c1[N+](=O)[O-] ZINC000434236170 860219347 /nfs/dbraw/zinc/21/93/47/860219347.db2.gz ROVZPBFUTDXIHO-UHFFFAOYSA-N 0 0 416.384 4.442 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@H](c4ccccc4)[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434251209 860230764 /nfs/dbraw/zinc/23/07/64/860230764.db2.gz URKHYQMAROXOFM-JTSKRJEESA-N 0 0 418.497 4.475 20 5 HIBDRN O=C(NCc1nccn1CCCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000434364058 860313122 /nfs/dbraw/zinc/31/31/22/860313122.db2.gz MTJMHHPCCDWJHS-UHFFFAOYSA-N 0 0 404.426 4.100 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC000434663274 860450590 /nfs/dbraw/zinc/45/05/90/860450590.db2.gz FIKRWHONMMVMPC-AWEZNQCLSA-N 0 0 415.204 4.075 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434674215 860454839 /nfs/dbraw/zinc/45/48/39/860454839.db2.gz HAOQZLOFCKSTPP-AWEZNQCLSA-N 0 0 424.432 4.440 20 5 HIBDRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000434794490 860496754 /nfs/dbraw/zinc/49/67/54/860496754.db2.gz NUNKXPHQXRCZEJ-PMACEKPBSA-N 0 0 421.453 4.171 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CSc3nnc(Nc4cccc(F)c4)s3)nc2c1 ZINC000434805577 860501111 /nfs/dbraw/zinc/50/11/11/860501111.db2.gz XMOXBSQWYMGQQA-UHFFFAOYSA-N 0 0 403.420 4.763 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H]1CCc1ccccc1 ZINC000434911577 860551225 /nfs/dbraw/zinc/55/12/25/860551225.db2.gz CXZQNKHIMXNVER-GOSISDBHSA-N 0 0 405.454 4.146 20 5 HIBDRN CC(=O)NC[C@@H]1CCCN(Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000434989692 860587836 /nfs/dbraw/zinc/58/78/36/860587836.db2.gz BXVXRPYAHBHJBV-IBGZPJMESA-N 0 0 413.543 4.403 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H](c1ccc(F)cc1)C(C)C ZINC000435291806 860722415 /nfs/dbraw/zinc/72/24/15/860722415.db2.gz WYLHRLGHFSCMIR-IBGZPJMESA-N 0 0 401.438 4.145 20 5 HIBDRN O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000435294007 860723130 /nfs/dbraw/zinc/72/31/30/860723130.db2.gz FLTYJZANJYDHCB-KRWDZBQOSA-N 0 0 416.437 4.194 20 5 HIBDRN Cc1ccc(CN(CCO)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000435322236 860734289 /nfs/dbraw/zinc/73/42/89/860734289.db2.gz BBSJBBXGVYRJBU-UHFFFAOYSA-N 0 0 422.279 4.001 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2COc3ccc(F)cc32)cc(Br)cc1[N+](=O)[O-] ZINC000435322912 860734706 /nfs/dbraw/zinc/73/47/06/860734706.db2.gz IAKAXUMXUBYYGU-ZDUSSCGKSA-N 0 0 410.199 4.060 20 5 HIBDRN Cc1cc([C@@H]2CCCN2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)on1 ZINC000435324647 860736302 /nfs/dbraw/zinc/73/63/02/860736302.db2.gz XCKCEFFFRRWBFG-ZDUSSCGKSA-N 0 0 409.240 4.331 20 5 HIBDRN Cc1cnc([C@@H](C)CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000435326884 860738312 /nfs/dbraw/zinc/73/83/12/860738312.db2.gz FEZAWGAVMQIOJT-QMMMGPOBSA-N 0 0 413.297 4.356 20 5 HIBDRN CCS[C@H]1CCC[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435329492 860740806 /nfs/dbraw/zinc/74/08/06/860740806.db2.gz PXUZTDZKNKSZGY-FZMZJTMJSA-N 0 0 402.314 4.461 20 5 HIBDRN CCCN(C[C@H]1CCCCO1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435330918 860742263 /nfs/dbraw/zinc/74/22/63/860742263.db2.gz XGQJOYUJMXNQLF-CQSZACIVSA-N 0 0 414.300 4.479 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435332748 860744250 /nfs/dbraw/zinc/74/42/50/860744250.db2.gz MKNPXDOABADUBD-KGLIPLIRSA-N 0 0 414.300 4.381 20 5 HIBDRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435334170 860745104 /nfs/dbraw/zinc/74/51/04/860745104.db2.gz XEUQKDOWFORLPL-AWEZNQCLSA-N 0 0 422.283 4.375 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C ZINC000435361585 860761773 /nfs/dbraw/zinc/76/17/73/860761773.db2.gz FZQKTOSQXVOMAB-BXKMTCNYSA-N 0 0 418.497 4.095 20 5 HIBDRN CC(=O)Nc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cs1 ZINC000435448958 860802047 /nfs/dbraw/zinc/80/20/47/860802047.db2.gz MPVOLBHTBCTLSO-UHFFFAOYSA-N 0 0 420.497 4.475 20 5 HIBDRN C[C@@H](NC(=O)NCc1csc(CCc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000435520310 860837464 /nfs/dbraw/zinc/83/74/64/860837464.db2.gz QYYKCPCBTMNGQK-OAHLLOKOSA-N 0 0 410.499 4.397 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)NC1CCCCC1 ZINC000435523663 860840070 /nfs/dbraw/zinc/84/00/70/860840070.db2.gz WVMIFZYZVZVXNU-UHFFFAOYSA-N 0 0 405.501 4.195 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)c1[N+](=O)[O-] ZINC000435549978 860865797 /nfs/dbraw/zinc/86/57/97/860865797.db2.gz CTXPAQBDJHSFBU-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN CCn1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(F)(F)F)n1 ZINC000435681651 860962736 /nfs/dbraw/zinc/96/27/36/860962736.db2.gz IXXMMWHYURHUMS-UHFFFAOYSA-N 0 0 411.365 4.206 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCc2c([nH]c3c2cccc3F)C1 ZINC000467782501 881601940 /nfs/dbraw/zinc/60/19/40/881601940.db2.gz BOGUDHHLIIBZOW-UHFFFAOYSA-N 0 0 420.400 4.058 20 5 HIBDRN Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000435721253 861005071 /nfs/dbraw/zinc/00/50/71/861005071.db2.gz BQZQIWCUUUARKJ-NHCUHLMSSA-N 0 0 421.453 4.277 20 5 HIBDRN COc1cccc(C(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)c1[N+](=O)[O-] ZINC000435733832 861015565 /nfs/dbraw/zinc/01/55/65/861015565.db2.gz UUAABSZZKSCNQD-UHFFFAOYSA-N 0 0 412.364 4.339 20 5 HIBDRN COc1cccc(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)c1[N+](=O)[O-] ZINC000435754506 861033284 /nfs/dbraw/zinc/03/32/84/861033284.db2.gz XGKHACZPWPXDMM-UHFFFAOYSA-N 0 0 404.422 4.135 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N(c2ccccc2)C2Cc3ccccc3C2)cc1 ZINC000467787699 881609744 /nfs/dbraw/zinc/60/97/44/881609744.db2.gz KUWNJOZGMYAXHL-UHFFFAOYSA-N 0 0 408.479 4.099 20 5 HIBDRN COc1cccc(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000435815922 861080209 /nfs/dbraw/zinc/08/02/09/861080209.db2.gz HYCDJDACOAOERK-LBPRGKRZSA-N 0 0 411.241 4.204 20 5 HIBDRN CN(CCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 ZINC000435820875 861085886 /nfs/dbraw/zinc/08/58/86/861085886.db2.gz YIAAZVZFHRAEMK-UHFFFAOYSA-N 0 0 403.457 4.077 20 5 HIBDRN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435823457 861088487 /nfs/dbraw/zinc/08/84/87/861088487.db2.gz CRUJJKJPDKWHBW-UHFFFAOYSA-N 0 0 413.477 4.009 20 5 HIBDRN CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435823522 861088763 /nfs/dbraw/zinc/08/87/63/861088763.db2.gz DMQGEIPXTPITJP-GXTWGEPZSA-N 0 0 419.528 4.441 20 5 HIBDRN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435926499 861186934 /nfs/dbraw/zinc/18/69/34/861186934.db2.gz NBANLISQUUMDAE-UHFFFAOYSA-N 0 0 407.332 4.059 20 5 HIBDRN CCC(=O)Nc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000437771562 863090563 /nfs/dbraw/zinc/09/05/63/863090563.db2.gz HRJNWXJYMKYZPM-UHFFFAOYSA-N 0 0 412.446 4.019 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000437774998 863093925 /nfs/dbraw/zinc/09/39/25/863093925.db2.gz OUKHRLGVXSWDET-LJQANCHMSA-N 0 0 407.474 4.048 20 5 HIBDRN O=C(Nc1ccccc1OCCn1ccnc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437777872 863096678 /nfs/dbraw/zinc/09/66/78/863096678.db2.gz RRUCTNUDJRPICJ-UHFFFAOYSA-N 0 0 421.457 4.067 20 5 HIBDRN CCc1nc(CN2CCC(CNc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)cs1 ZINC000467803172 881628648 /nfs/dbraw/zinc/62/86/48/881628648.db2.gz NTJNKTTZWQIWGC-UHFFFAOYSA-N 0 0 408.499 4.086 20 5 HIBDRN CCc1ncsc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000437814251 863145926 /nfs/dbraw/zinc/14/59/26/863145926.db2.gz KBQUOCRAERPMDF-UHFFFAOYSA-N 0 0 412.258 4.359 20 5 HIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000437821580 863163320 /nfs/dbraw/zinc/16/33/20/863163320.db2.gz NGXCAVYXCYAIAA-LBPRGKRZSA-N 0 0 409.389 4.300 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](COCc2ccccc2)C1 ZINC000437821768 863163669 /nfs/dbraw/zinc/16/36/69/863163669.db2.gz QUIMOXILDZZWEH-HNNXBMFYSA-N 0 0 421.400 4.267 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000437910276 863284968 /nfs/dbraw/zinc/28/49/68/863284968.db2.gz VZTLEELWTBQXKK-UHFFFAOYSA-N 0 0 421.251 4.012 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000437924957 863300870 /nfs/dbraw/zinc/30/08/70/863300870.db2.gz DALSJQWHFRIKDK-UHFFFAOYSA-N 0 0 414.465 4.336 20 5 HIBDRN O=C(NCCc1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437930028 863305600 /nfs/dbraw/zinc/30/56/00/863305600.db2.gz WBGCCBDUEBYBIS-UHFFFAOYSA-N 0 0 423.391 4.410 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1nc(C2CCCCC2)no1 ZINC000437969711 863339237 /nfs/dbraw/zinc/33/92/37/863339237.db2.gz OAIVXZWGMCLUKV-AWEZNQCLSA-N 0 0 413.478 4.461 20 5 HIBDRN C[C@@H](COc1ccc(F)cc1F)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438002507 863364552 /nfs/dbraw/zinc/36/45/52/863364552.db2.gz LOLCAAYCCKEGPD-ZDUSSCGKSA-N 0 0 405.401 4.015 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1OC ZINC000438018150 863377676 /nfs/dbraw/zinc/37/76/76/863377676.db2.gz YDPPRDTZHSVQCC-OAHLLOKOSA-N 0 0 413.474 4.437 20 5 HIBDRN CC(C)(CO)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000438177681 863602816 /nfs/dbraw/zinc/60/28/16/863602816.db2.gz NFJAFOCHTWUPAY-MRXNPFEDSA-N 0 0 410.392 4.146 20 5 HIBDRN C[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000438262755 863728008 /nfs/dbraw/zinc/72/80/08/863728008.db2.gz WOAPOXZKWLSZEO-YVEFUNNKSA-N 0 0 421.375 4.162 20 5 HIBDRN CSCc1cccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000438376316 863835247 /nfs/dbraw/zinc/83/52/47/863835247.db2.gz JIERLDSAFFJCTL-UHFFFAOYSA-N 0 0 402.519 4.334 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000438387538 863840892 /nfs/dbraw/zinc/84/08/92/863840892.db2.gz XDHGMBPOKZSUMF-AVGNSLFASA-N 0 0 407.517 4.149 20 5 HIBDRN CC(C)(NC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000438410414 863853295 /nfs/dbraw/zinc/85/32/95/863853295.db2.gz KANQYBIIQNULBN-CVEARBPZSA-N 0 0 405.401 4.287 20 5 HIBDRN CN(CC1(CO)CC1)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000438488139 863905400 /nfs/dbraw/zinc/90/54/00/863905400.db2.gz GCRISMNXWYNYNA-UHFFFAOYSA-N 0 0 406.891 4.244 20 5 HIBDRN CC1(C)CCC[C@](O)(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000438509075 863932511 /nfs/dbraw/zinc/93/25/11/863932511.db2.gz XLCAMHNJKGEQEA-HSZRJFAPSA-N 0 0 414.452 4.021 20 5 HIBDRN CC(C)(C)c1cnc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000438526881 863952518 /nfs/dbraw/zinc/95/25/18/863952518.db2.gz APBIDXDFODELKX-UHFFFAOYSA-N 0 0 404.492 4.424 20 5 HIBDRN O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccc([N+](=O)[O-])o1 ZINC000438531122 863957459 /nfs/dbraw/zinc/95/74/59/863957459.db2.gz NEKHGLDDWUBKCT-UHFFFAOYSA-N 0 0 405.819 4.085 20 5 HIBDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000438545632 863973646 /nfs/dbraw/zinc/97/36/46/863973646.db2.gz BFCNDJFZVPMLHX-BFUOFWGJSA-N 0 0 404.850 4.077 20 5 HIBDRN Cc1c(CC(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)cccc1[N+](=O)[O-] ZINC000438627390 864055861 /nfs/dbraw/zinc/05/58/61/864055861.db2.gz MOJMBZPBAJVHOH-QGZVFWFLSA-N 0 0 419.275 4.190 20 5 HIBDRN Cc1sc(C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000438643526 864081533 /nfs/dbraw/zinc/08/15/33/864081533.db2.gz UVRJSRUXQZVSET-GFCCVEGCSA-N 0 0 411.277 4.323 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000438655519 864097518 /nfs/dbraw/zinc/09/75/18/864097518.db2.gz KUNDBEBLCZSILT-UHFFFAOYSA-N 0 0 424.482 4.094 20 5 HIBDRN CCSc1cccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000438667055 864120409 /nfs/dbraw/zinc/12/04/09/864120409.db2.gz WWLDOVXRLRKEKH-UHFFFAOYSA-N 0 0 401.488 4.083 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000438768079 864263029 /nfs/dbraw/zinc/26/30/29/864263029.db2.gz BHTQMMYJXGGAHS-UHFFFAOYSA-N 0 0 408.785 4.462 20 5 HIBDRN Cc1ccc(N(C)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1C ZINC000438788304 864281219 /nfs/dbraw/zinc/28/12/19/864281219.db2.gz CFUNPLUXNMRLAZ-UHFFFAOYSA-N 0 0 413.293 4.108 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000438803659 864294537 /nfs/dbraw/zinc/29/45/37/864294537.db2.gz GSCJNHUKTHXQOE-LBPRGKRZSA-N 0 0 413.293 4.047 20 5 HIBDRN C[C@@H]1[C@H](C)Sc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000438822589 864316149 /nfs/dbraw/zinc/31/61/49/864316149.db2.gz WBIBYUQTVMPEMK-OLZOCXBDSA-N 0 0 415.496 4.221 20 5 HIBDRN COC(=O)c1cccc(-c2noc([C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000438822922 864316549 /nfs/dbraw/zinc/31/65/49/864316549.db2.gz BHZGREHVSTXAHM-SNVBAGLBSA-N 0 0 403.778 4.225 20 5 HIBDRN CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000438831162 864325889 /nfs/dbraw/zinc/32/58/89/864325889.db2.gz QQXHQICTDVXWID-ZDUSSCGKSA-N 0 0 417.487 4.380 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cccc1[N+](=O)[O-] ZINC000438894362 864376016 /nfs/dbraw/zinc/37/60/16/864376016.db2.gz JKCSTQGRSMNNEF-UHFFFAOYSA-N 0 0 405.458 4.069 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000438919982 864398407 /nfs/dbraw/zinc/39/84/07/864398407.db2.gz LBYRNKZGHJOCNQ-UHFFFAOYSA-N 0 0 409.442 4.010 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000438936278 864413517 /nfs/dbraw/zinc/41/35/17/864413517.db2.gz KYTZARDJORNLIL-GFCCVEGCSA-N 0 0 416.787 4.249 20 5 HIBDRN CC(C)[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000438941205 864416734 /nfs/dbraw/zinc/41/67/34/864416734.db2.gz DWWHIWAPXGFZLH-QGZVFWFLSA-N 0 0 416.421 4.430 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])OC(C)C ZINC000438944707 864419718 /nfs/dbraw/zinc/41/97/18/864419718.db2.gz BUMNXRHQOUOWIV-SFHVURJKSA-N 0 0 406.866 4.461 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)cccc1[N+](=O)[O-] ZINC000438973104 864438534 /nfs/dbraw/zinc/43/85/34/864438534.db2.gz BMDYVYUAOKOMLR-UHFFFAOYSA-N 0 0 416.437 4.311 20 5 HIBDRN Cc1c(CC(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)cccc1[N+](=O)[O-] ZINC000438982329 864445349 /nfs/dbraw/zinc/44/53/49/864445349.db2.gz FGORDKOOZJJEPT-UHFFFAOYSA-N 0 0 422.510 4.370 20 5 HIBDRN CCOC(=O)c1sc2ccsc2c1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000438986154 864446819 /nfs/dbraw/zinc/44/68/19/864446819.db2.gz LITBGRCFZVYMHW-UHFFFAOYSA-N 0 0 418.496 4.215 20 5 HIBDRN Cc1c(Cc2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cccc1[N+](=O)[O-] ZINC000439008035 864460474 /nfs/dbraw/zinc/46/04/74/864460474.db2.gz SMOHPWAAEZOQJS-UHFFFAOYSA-N 0 0 414.849 4.196 20 5 HIBDRN COc1cc(CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C2CC2)ccc1OC(F)F ZINC000439032227 864489011 /nfs/dbraw/zinc/48/90/11/864489011.db2.gz DNHANIACNBULSE-UHFFFAOYSA-N 0 0 420.412 4.247 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H]([C@@H]4CCOC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000439067722 864522193 /nfs/dbraw/zinc/52/21/93/864522193.db2.gz GMILSNZTYYABSO-RTBURBONSA-N 0 0 409.486 4.408 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000439119948 864555319 /nfs/dbraw/zinc/55/53/19/864555319.db2.gz RZNORGPJTJZPLL-OAHLLOKOSA-N 0 0 422.268 4.088 20 5 HIBDRN Cc1c(CC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cccc1[N+](=O)[O-] ZINC000439125511 864561263 /nfs/dbraw/zinc/56/12/63/864561263.db2.gz VLNONBIRUSDWNB-UHFFFAOYSA-N 0 0 410.449 4.066 20 5 HIBDRN Cc1c(CC(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000439130584 864564745 /nfs/dbraw/zinc/56/47/45/864564745.db2.gz TYKXWLVAMMJHQL-HSZRJFAPSA-N 0 0 414.465 4.238 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000439138944 864571172 /nfs/dbraw/zinc/57/11/72/864571172.db2.gz GTQSJGKGQNEQKT-UHFFFAOYSA-N 0 0 414.849 4.256 20 5 HIBDRN C[C@@H]1CSc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000439144002 864576443 /nfs/dbraw/zinc/57/64/43/864576443.db2.gz DROYIKNARIULLB-SNVBAGLBSA-N 0 0 418.418 4.303 20 5 HIBDRN CCSCC[C@@H](C)N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000439236349 864651818 /nfs/dbraw/zinc/65/18/18/864651818.db2.gz KSNUCGZXDSXCGD-SECBINFHSA-N 0 0 401.337 4.054 20 5 HIBDRN CC(=O)c1cccc(C(F)(F)F)c1OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000439276603 864696035 /nfs/dbraw/zinc/69/60/35/864696035.db2.gz QWQLUQCORQQGMT-UHFFFAOYSA-N 0 0 407.304 4.445 20 5 HIBDRN CC(=O)c1cccc(C(F)(F)F)c1OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000439284667 864703351 /nfs/dbraw/zinc/70/33/51/864703351.db2.gz ZOVAZDHPQSAWQF-UHFFFAOYSA-N 0 0 407.304 4.445 20 5 HIBDRN CCCOc1cc(NC(=O)N2CCCO[C@@H](CC)C2)c([N+](=O)[O-])cc1OCCC ZINC000439330839 864768395 /nfs/dbraw/zinc/76/83/95/864768395.db2.gz RIGDHBYRYRYBKH-HNNXBMFYSA-N 0 0 409.483 4.205 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C ZINC000439379239 864810688 /nfs/dbraw/zinc/81/06/88/864810688.db2.gz PYOJPHUILDGTSG-SFHVURJKSA-N 0 0 409.486 4.250 20 5 HIBDRN COc1cc(C(=O)Nc2cc(-c3ccccc3)nn2CC(C)C)cc([N+](=O)[O-])c1OC ZINC000439381895 864811931 /nfs/dbraw/zinc/81/19/31/864811931.db2.gz DOEMHCIFOBNUDN-UHFFFAOYSA-N 0 0 424.457 4.384 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1CN[C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000439437459 864831346 /nfs/dbraw/zinc/83/13/46/864831346.db2.gz KNQVPSBIVJBKOR-HNNXBMFYSA-N 0 0 411.771 4.264 20 5 HIBDRN Cc1cscc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000439483658 864847792 /nfs/dbraw/zinc/84/77/92/864847792.db2.gz BFMXONBSRKRUGR-UHFFFAOYSA-N 0 0 414.409 4.338 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(CCC(F)(F)F)cc2)nnn1-c1cccc([N+](=O)[O-])c1 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CCC(O)(CC)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000440202289 865433975 /nfs/dbraw/zinc/43/39/75/865433975.db2.gz MFKUDABDIMAZHD-UHFFFAOYSA-N 0 0 405.882 4.141 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1 ZINC000468059048 881880346 /nfs/dbraw/zinc/88/03/46/881880346.db2.gz JMDCKUUYWCLXNQ-CYBMUJFWSA-N 0 0 422.528 4.286 20 5 HIBDRN Cc1ccccc1COc1cccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000440338180 865617876 /nfs/dbraw/zinc/61/78/76/865617876.db2.gz KWUFVLRQTKRVQA-UHFFFAOYSA-N 0 0 419.437 4.368 20 5 HIBDRN CCN(Cc1c[nH]c2ccccc12)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000468083481 881893104 /nfs/dbraw/zinc/89/31/04/881893104.db2.gz WSWGWNOZVVZGFK-UHFFFAOYSA-N 0 0 416.275 4.430 20 5 HIBDRN CC(C)(C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000468088719 881896948 /nfs/dbraw/zinc/89/69/48/881896948.db2.gz SUYMQEXLCZXMBP-UHFFFAOYSA-N 0 0 422.478 4.222 20 5 HIBDRN Cc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cc1[N+](=O)[O-] 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CCCN(C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000441436416 866513705 /nfs/dbraw/zinc/51/37/05/866513705.db2.gz OBNYYNZWMNNQDN-UHFFFAOYSA-N 0 0 408.433 4.465 20 5 HIBDRN CCCN(C(=O)c1cc(Br)c(C)nc1OC)c1cccc([N+](=O)[O-])c1 ZINC000441457248 866532161 /nfs/dbraw/zinc/53/21/61/866532161.db2.gz JMMBECHDZVVJEH-UHFFFAOYSA-N 0 0 408.252 4.126 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H](C)CO2)c1 ZINC000441459511 866535546 /nfs/dbraw/zinc/53/55/46/866535546.db2.gz BISREDYYQUHTHO-UZLBHIALSA-N 0 0 408.458 4.224 20 5 HIBDRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441504011 866585072 /nfs/dbraw/zinc/58/50/72/866585072.db2.gz VLWLVRMIPQBGQP-HXUWFJFHSA-N 0 0 410.499 4.058 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CC[C@H]([C@H]4CCOC4)C3)cc2[N+](=O)[O-])n1 ZINC000441544718 866621012 /nfs/dbraw/zinc/62/10/12/866621012.db2.gz KRZVXYSXHSSMEL-GJZGRUSLSA-N 0 0 419.528 4.010 20 5 HIBDRN COc1cc(OC)cc(N(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000468147484 882006237 /nfs/dbraw/zinc/00/62/37/882006237.db2.gz VINFROLYZGQNNO-UHFFFAOYSA-N 0 0 413.474 4.125 20 5 HIBDRN Cc1c(CSC(C)C)cccc1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000441692141 866807796 /nfs/dbraw/zinc/80/77/96/866807796.db2.gz OKPYXGNCHLHPJI-UHFFFAOYSA-N 0 0 415.515 4.142 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441799816 866867906 /nfs/dbraw/zinc/86/79/06/866867906.db2.gz UPTLBFHYSHSJHV-HUUCEWRRSA-N 0 0 405.882 4.403 20 5 HIBDRN Cc1ccc(-n2cc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cn2)c(C)c1 ZINC000468157743 882023219 /nfs/dbraw/zinc/02/32/19/882023219.db2.gz PRGVKPSHPSSHOY-UHFFFAOYSA-N 0 0 416.441 4.050 20 5 HIBDRN CC[C@@H](CN(CC)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000441968847 867034144 /nfs/dbraw/zinc/03/41/44/867034144.db2.gz ZLPOAHHVQVIAMO-AWEZNQCLSA-N 0 0 403.866 4.229 20 5 HIBDRN C[C@@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000442082832 867111358 /nfs/dbraw/zinc/11/13/58/867111358.db2.gz OSOOCVDCJVMQKC-VXGBXAGGSA-N 0 0 405.501 4.145 20 5 HIBDRN C[C@@H]1CC[C@H](C)N1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000442082829 867112034 /nfs/dbraw/zinc/11/20/34/867112034.db2.gz OSOOCVDCJVMQKC-TXEJJXNPSA-N 0 0 405.501 4.145 20 5 HIBDRN CC[C@@H](C)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1 ZINC000442128702 867152765 /nfs/dbraw/zinc/15/27/65/867152765.db2.gz HRKZEMKYABQUNK-XIKOKIGWSA-N 0 0 403.866 4.399 20 5 HIBDRN CC[C@@H](C)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000442150504 867171444 /nfs/dbraw/zinc/17/14/44/867171444.db2.gz NXZTYQWNZFFMIG-XIKOKIGWSA-N 0 0 419.865 4.099 20 5 HIBDRN C[C@H](O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC000468184515 882060989 /nfs/dbraw/zinc/06/09/89/882060989.db2.gz VWVOYQBBVFWZCD-GXTWGEPZSA-N 0 0 406.891 4.242 20 5 HIBDRN CCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cnn1-c1ccccc1 ZINC000468186714 882061947 /nfs/dbraw/zinc/06/19/47/882061947.db2.gz BYOJRIHKZZBWQW-UHFFFAOYSA-N 0 0 402.357 4.197 20 5 HIBDRN CCCOc1cc(NC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCCC ZINC000442225086 867254703 /nfs/dbraw/zinc/25/47/03/867254703.db2.gz WRMMAJJYFSQUCA-JKSUJKDBSA-N 0 0 421.494 4.063 20 5 HIBDRN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1Br ZINC000442230760 867264209 /nfs/dbraw/zinc/26/42/09/867264209.db2.gz RXRNVODIHHCVGQ-UHFFFAOYSA-N 0 0 417.256 4.102 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc12 ZINC000468190921 882067425 /nfs/dbraw/zinc/06/74/25/882067425.db2.gz DITWUZSSTGBRBL-UHFFFAOYSA-N 0 0 414.801 4.206 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000468208290 882090230 /nfs/dbraw/zinc/09/02/30/882090230.db2.gz GBPWCOXDQVMNJP-MGPUTAFESA-N 0 0 421.501 4.372 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000442558922 867530277 /nfs/dbraw/zinc/53/02/77/867530277.db2.gz RIWYZKULWFWKQM-AWEZNQCLSA-N 0 0 423.400 4.342 20 5 HIBDRN CN(Cc1cc(Br)cn1C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000468211432 882092347 /nfs/dbraw/zinc/09/23/47/882092347.db2.gz YBTLQPFMBKKYSC-UHFFFAOYSA-N 0 0 408.277 4.183 20 5 HIBDRN Cc1cncc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000442626130 867568993 /nfs/dbraw/zinc/56/89/93/867568993.db2.gz JBMMQVKWALZKHJ-UHFFFAOYSA-N 0 0 415.446 4.141 20 5 HIBDRN CCOC(=O)C[C@@H](C)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442632725 867574721 /nfs/dbraw/zinc/57/47/21/867574721.db2.gz FROKLZWUNMTTMM-CQSZACIVSA-N 0 0 402.472 4.065 20 5 HIBDRN C[C@@H]1COCC[C@H]1c1noc(-c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 ZINC000442676594 867610562 /nfs/dbraw/zinc/61/05/62/867610562.db2.gz HGRKZTKLUYGQCS-MWLCHTKSSA-N 0 0 424.244 4.277 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(C3(c4cccc(Br)c4)CC3)no2)cc1 ZINC000442680918 867614638 /nfs/dbraw/zinc/61/46/38/867614638.db2.gz OHGXXVFOSLFEGR-UHFFFAOYSA-N 0 0 416.231 4.399 20 5 HIBDRN O=C(NCc1ccccc1OCCO)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442689755 867624951 /nfs/dbraw/zinc/62/49/51/867624951.db2.gz UDNKTGOSYUPLHT-UHFFFAOYSA-N 0 0 424.478 4.047 20 5 HIBDRN O=C(Nc1cc(C2CCOCC2)[nH]n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442719822 867647024 /nfs/dbraw/zinc/64/70/24/867647024.db2.gz XFVVSYMRRYIRQY-UHFFFAOYSA-N 0 0 424.482 4.615 20 5 HIBDRN CC(C)(Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000442790726 867675419 /nfs/dbraw/zinc/67/54/19/867675419.db2.gz HJKNQBUVUKKUDD-UHFFFAOYSA-N 0 0 416.421 4.054 20 5 HIBDRN CC[C@@]1(C)Oc2ccc(NC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)cc2O1 ZINC000442971067 867771605 /nfs/dbraw/zinc/77/16/05/867771605.db2.gz HLDXSGXNTRPBBJ-FQEVSTJZSA-N 0 0 418.471 4.373 20 5 HIBDRN CN(CCCO)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000442991682 867782637 /nfs/dbraw/zinc/78/26/37/867782637.db2.gz HUHNTUSFLWBDFN-UHFFFAOYSA-N 0 0 414.405 4.219 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)n1 ZINC000443115675 867826183 /nfs/dbraw/zinc/82/61/83/867826183.db2.gz OAAOLUPAMCLULK-QGZVFWFLSA-N 0 0 408.458 4.044 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1c(F)cccc1Cl ZINC000443194467 867869332 /nfs/dbraw/zinc/86/93/32/867869332.db2.gz DWIHANSTJWXHND-UHFFFAOYSA-N 0 0 408.632 4.124 20 5 HIBDRN C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443194592 867869486 /nfs/dbraw/zinc/86/94/86/867869486.db2.gz PHBKTXLMSGYBRT-MRVPVSSYSA-N 0 0 406.204 4.170 20 5 HIBDRN Cc1c(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)sc2ccc(Cl)cc12 ZINC000443221880 867880151 /nfs/dbraw/zinc/88/01/51/867880151.db2.gz HNKLSVCTHARNEM-UHFFFAOYSA-N 0 0 410.904 4.391 20 5 HIBDRN COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])s2)c2c[nH]c3ccccc32)c1OC ZINC000443409552 867992307 /nfs/dbraw/zinc/99/23/07/867992307.db2.gz XIMSHCNBMNKRPI-MRXNPFEDSA-N 0 0 424.482 4.794 20 5 HIBDRN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443572980 868128178 /nfs/dbraw/zinc/12/81/78/868128178.db2.gz IIHBPMFBZVISTK-UHFFFAOYSA-N 0 0 410.226 4.470 20 5 HIBDRN COc1ccc(NC(=O)N[C@H](C)c2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000443604932 868165804 /nfs/dbraw/zinc/16/58/04/868165804.db2.gz OSUUPDZHBGPYBU-MRVPVSSYSA-N 0 0 400.254 4.310 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443642730 868227803 /nfs/dbraw/zinc/22/78/03/868227803.db2.gz PCTBQHILXOMWPC-KBPBESRZSA-N 0 0 412.421 4.082 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443657737 868260162 /nfs/dbraw/zinc/26/01/62/868260162.db2.gz UPEGVGKHFPQLOV-HUUCEWRRSA-N 0 0 403.866 4.037 20 5 HIBDRN Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000443688492 868291399 /nfs/dbraw/zinc/29/13/99/868291399.db2.gz VAYLZIXTPSQULF-UHFFFAOYSA-N 0 0 421.475 4.035 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000443691743 868292631 /nfs/dbraw/zinc/29/26/31/868292631.db2.gz IDULKLZIFGRRNE-QFIPXVFZSA-N 0 0 408.479 4.072 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000443701461 868296587 /nfs/dbraw/zinc/29/65/87/868296587.db2.gz ATHZRQYWQMKGER-UHFFFAOYSA-N 0 0 415.298 4.396 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)c1 ZINC000443769895 868328065 /nfs/dbraw/zinc/32/80/65/868328065.db2.gz HQGJELQXBBRREN-NRFANRHFSA-N 0 0 424.478 4.205 20 5 HIBDRN Cc1c(Br)cccc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000443821331 868353858 /nfs/dbraw/zinc/35/38/58/868353858.db2.gz DAYWVAMUVPQUBQ-UHFFFAOYSA-N 0 0 407.220 4.079 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000443824809 868356604 /nfs/dbraw/zinc/35/66/04/868356604.db2.gz LRSMVQBRDURZDU-MRXNPFEDSA-N 0 0 424.375 4.426 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC(Cc2ccccc2Cl)C1 ZINC000443824812 868357185 /nfs/dbraw/zinc/35/71/85/868357185.db2.gz LSOMUQTYECZXSF-UHFFFAOYSA-N 0 0 409.667 4.325 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000443943531 868479188 /nfs/dbraw/zinc/47/91/88/868479188.db2.gz BXDQTMNSYVSOBX-UHFFFAOYSA-N 0 0 402.882 4.215 20 5 HIBDRN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c2ccc(F)cc21 ZINC000443946934 868483813 /nfs/dbraw/zinc/48/38/13/868483813.db2.gz MZMSYFYFLQJZHW-UHFFFAOYSA-N 0 0 420.444 4.443 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443948090 868483917 /nfs/dbraw/zinc/48/39/17/868483917.db2.gz PPLSMCCLLDNJBI-UHFFFAOYSA-N 0 0 407.474 4.460 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@@H]2c2cccc(Cl)c2)s1 ZINC000443956735 868492503 /nfs/dbraw/zinc/49/25/03/868492503.db2.gz BLFWTXNMSCYHCS-CYBMUJFWSA-N 0 0 400.909 4.445 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cc(Cl)c(Cl)cn2)cc1[N+](=O)[O-] ZINC000443959926 868493991 /nfs/dbraw/zinc/49/39/91/868493991.db2.gz OQYNGOZULWKGAU-UHFFFAOYSA-N 0 0 402.259 4.177 20 5 HIBDRN Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000443962250 868496324 /nfs/dbraw/zinc/49/63/24/868496324.db2.gz QNYDSQDTYDOPLE-UHFFFAOYSA-N 0 0 424.501 4.080 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)cc1SC 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416.452 4.289 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H](c2ccc(F)cc2)O1 ZINC000444083013 868607222 /nfs/dbraw/zinc/60/72/22/868607222.db2.gz IFZUCHLGZGXZEZ-IQMFZBJNSA-N 0 0 416.452 4.423 20 5 HIBDRN CO[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Cl)cc1 ZINC000444084069 868608514 /nfs/dbraw/zinc/60/85/14/868608514.db2.gz KBHBFXTXTRNDPD-OAQYLSRUSA-N 0 0 406.869 4.452 20 5 HIBDRN CCc1ccc([C@@H]2COCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)o1 ZINC000444089496 868611322 /nfs/dbraw/zinc/61/13/22/868611322.db2.gz QFUGGXPNJLWCLA-NRFANRHFSA-N 0 0 402.450 4.050 20 5 HIBDRN CC(C)(C)c1cnc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)o1 ZINC000444094439 868612951 /nfs/dbraw/zinc/61/29/51/868612951.db2.gz DKEZNEWBQPUBCN-UHFFFAOYSA-N 0 0 411.408 4.175 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@H]1Cc1ccccc1 ZINC000444102980 868618533 /nfs/dbraw/zinc/61/85/33/868618533.db2.gz GNDJUIAOKBIVEE-QGZVFWFLSA-N 0 0 404.416 4.417 20 5 HIBDRN 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C[C@@H](CCc1ccc(O)cc1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444238225 868687473 /nfs/dbraw/zinc/68/74/73/868687473.db2.gz AJLSKPMQRXPSFF-ZDUSSCGKSA-N 0 0 422.431 4.416 20 5 HIBDRN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444237898 868687946 /nfs/dbraw/zinc/68/79/46/868687946.db2.gz FIAAGJVXFJZSFW-RBUKOAKNSA-N 0 0 414.452 4.283 20 5 HIBDRN O=C(C[C@H]1CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccco1 ZINC000444242015 868690751 /nfs/dbraw/zinc/69/07/51/868690751.db2.gz JUQLESNOOYDKKS-MRXNPFEDSA-N 0 0 400.434 4.152 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCc2ccc(F)c(F)c2C1 ZINC000444243029 868692230 /nfs/dbraw/zinc/69/22/30/868692230.db2.gz UHEDGDHNNWWQCT-UHFFFAOYSA-N 0 0 408.379 4.297 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCS[C@H]2CCCC[C@H]21 ZINC000444244224 868692279 /nfs/dbraw/zinc/69/22/79/868692279.db2.gz MJUKQHOPSZFESS-MSOLQXFVSA-N 0 0 414.477 4.460 20 5 HIBDRN C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 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PVNIMQZZYNYVQZ-UHFFFAOYSA-N 0 0 404.376 4.397 20 5 HIBDRN CCCCn1cc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c(C)n1 ZINC000444293816 868721584 /nfs/dbraw/zinc/72/15/84/868721584.db2.gz VFGPGVUERMHQGY-UHFFFAOYSA-N 0 0 424.451 4.195 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2nc3cc(C)ccc3n2-c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000444298486 868727991 /nfs/dbraw/zinc/72/79/91/868727991.db2.gz OAHWGOVUQOBVLE-UHFFFAOYSA-N 0 0 404.430 4.088 20 5 HIBDRN O=C(NCCc1ccc(F)c(F)c1F)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444301495 868732063 /nfs/dbraw/zinc/73/20/63/868732063.db2.gz FIXMJHPJAZNMQU-UHFFFAOYSA-N 0 0 414.358 4.210 20 5 HIBDRN COCc1ccc([C@H]2CCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)o1 ZINC000444319473 868749202 /nfs/dbraw/zinc/74/92/02/868749202.db2.gz COYOPTKBCMXIJC-OAQYLSRUSA-N 0 0 402.450 4.398 20 5 HIBDRN Cn1c(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)nc2ccc(F)cc21 ZINC000444325359 868752128 /nfs/dbraw/zinc/75/21/28/868752128.db2.gz NJVWRCHDTJBIGC-UHFFFAOYSA-N 0 0 422.366 4.238 20 5 HIBDRN 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CC(C)(C)c1cccc2c1OCCN2C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000444488270 868853960 /nfs/dbraw/zinc/85/39/60/868853960.db2.gz QDDKDFFTCRYHQS-UHFFFAOYSA-N 0 0 406.442 4.117 20 5 HIBDRN C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000444528681 868869434 /nfs/dbraw/zinc/86/94/34/868869434.db2.gz OLJLBZUVXYSLMS-VIFPVBQESA-N 0 0 401.307 4.388 20 5 HIBDRN O=C(CCc1cccc(OC2CCCC2)c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444632859 868921749 /nfs/dbraw/zinc/92/17/49/868921749.db2.gz IGXBUTUUIOSHTL-UHFFFAOYSA-N 0 0 408.458 4.042 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000444634819 868922542 /nfs/dbraw/zinc/92/25/42/868922542.db2.gz IMNRDBTYUXLWOS-UHFFFAOYSA-N 0 0 404.213 4.189 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000444635228 868922796 /nfs/dbraw/zinc/92/27/96/868922796.db2.gz KAAYFQDXZOIRDJ-VXGBXAGGSA-N 0 0 405.241 4.198 20 5 HIBDRN CC(C)OCc1c2ccccc2oc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 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/nfs/dbraw/zinc/62/98/09/870629809.db2.gz AWUZCXPCXBMHBP-QGZVFWFLSA-N 0 0 422.441 4.076 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000446832221 870747694 /nfs/dbraw/zinc/74/76/94/870747694.db2.gz NNQGBNNSQVKPNV-UHFFFAOYSA-N 0 0 410.474 4.103 20 5 HIBDRN COC(=O)COc1ccc(CN[C@@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000446834983 870751869 /nfs/dbraw/zinc/75/18/69/870751869.db2.gz ZPPPOZPYZQRYBG-NSHDSACASA-N 0 0 413.257 4.304 20 5 HIBDRN O=c1c(Cl)c(NCc2ncoc2-c2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000446861298 870783414 /nfs/dbraw/zinc/78/34/14/870783414.db2.gz KUFAQZODVZGPLT-UHFFFAOYSA-N 0 0 423.816 4.061 20 5 HIBDRN Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446873522 870793809 /nfs/dbraw/zinc/79/38/09/870793809.db2.gz ZPLLJZJSKBYZTJ-INIZCTEOSA-N 0 0 421.379 4.272 20 5 HIBDRN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446894770 870814344 /nfs/dbraw/zinc/81/43/44/870814344.db2.gz QUBCKIHUEPOYDY-LJQANCHMSA-N 0 0 413.453 4.019 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000446898186 870815859 /nfs/dbraw/zinc/81/58/59/870815859.db2.gz AAPQFHMJLXVNIP-AWEZNQCLSA-N 0 0 411.437 4.090 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000446897292 870816003 /nfs/dbraw/zinc/81/60/03/870816003.db2.gz XZHXCSZLIJLYSX-UHFFFAOYSA-N 0 0 420.256 4.046 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446903727 870822767 /nfs/dbraw/zinc/82/27/67/870822767.db2.gz CVSCLTOYDLYXSS-FQEVSTJZSA-N 0 0 423.473 4.307 20 5 HIBDRN CC(C)c1ccc(CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)cc1 ZINC000446908757 870825648 /nfs/dbraw/zinc/82/56/48/870825648.db2.gz QMGNWYOERHXQRO-UHFFFAOYSA-N 0 0 407.474 4.469 20 5 HIBDRN CN(Cc1ccccc1-c1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446907829 870825699 /nfs/dbraw/zinc/82/56/99/870825699.db2.gz ZBBFNPUKEPHVRF-UHFFFAOYSA-N 0 0 415.453 4.480 20 5 HIBDRN CC(C)c1noc(-c2ccc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2)n1 ZINC000446910217 870827171 /nfs/dbraw/zinc/82/71/71/870827171.db2.gz IZWRHPOOECHZQN-UHFFFAOYSA-N 0 0 407.430 4.358 20 5 HIBDRN CC[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1c1ccccc1 ZINC000446914727 870831226 /nfs/dbraw/zinc/83/12/26/870831226.db2.gz PKKQILKTFCBWRH-YJBOKZPZSA-N 0 0 407.474 4.196 20 5 HIBDRN CC(C)OCCOCc1cccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000446923556 870837764 /nfs/dbraw/zinc/83/77/64/870837764.db2.gz WTNPVEURPFZIKQ-UHFFFAOYSA-N 0 0 413.474 4.127 20 5 HIBDRN CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446935536 870845913 /nfs/dbraw/zinc/84/59/13/870845913.db2.gz FYAOJJOHUWFFQW-UHFFFAOYSA-N 0 0 408.785 4.088 20 5 HIBDRN O=C(Nc1cc(C2CC2)nn1-c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446950346 870858202 /nfs/dbraw/zinc/85/82/02/870858202.db2.gz NJKRZMBWXMVUFJ-UHFFFAOYSA-N 0 0 403.442 4.248 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)c(C(F)(F)F)c1 ZINC000446970906 870869211 /nfs/dbraw/zinc/86/92/11/870869211.db2.gz HJFHISCHNIMHHX-UHFFFAOYSA-N 0 0 418.368 4.106 20 5 HIBDRN CCCc1c(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000446980962 870876948 /nfs/dbraw/zinc/87/69/48/870876948.db2.gz VOGFUFBBQYNBAX-UHFFFAOYSA-N 0 0 424.457 4.311 20 5 HIBDRN C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000447081516 870968103 /nfs/dbraw/zinc/96/81/03/870968103.db2.gz GQTYPNPWWAKPSR-AWEZNQCLSA-N 0 0 409.421 4.025 20 5 HIBDRN Cc1nc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)sc1Cc1cccc(Cl)c1F ZINC000447189625 871080634 /nfs/dbraw/zinc/08/06/34/871080634.db2.gz AEPOUVWJCXXNPI-UHFFFAOYSA-N 0 0 422.825 4.096 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)Sc2ncnc3sc(C)cc32)c([N+](=O)[O-])c1 ZINC000447323424 871215971 /nfs/dbraw/zinc/21/59/71/871215971.db2.gz GFFQRVJGSCEBOJ-JTQLQIEISA-N 0 0 404.473 4.036 20 5 HIBDRN CC(C)N(CC(F)(F)F)C(=O)CSc1ccc(Br)cc1[N+](=O)[O-] ZINC000447350772 871253096 /nfs/dbraw/zinc/25/30/96/871253096.db2.gz LEHIYTMGTIDPCW-UHFFFAOYSA-N 0 0 415.231 4.249 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] ZINC000447349720 871253695 /nfs/dbraw/zinc/25/36/95/871253695.db2.gz GQTBADXRCCCLRV-UHFFFAOYSA-N 0 0 404.271 4.415 20 5 HIBDRN CN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000447397411 871307453 /nfs/dbraw/zinc/30/74/53/871307453.db2.gz OUWJHIMHPWKOHX-UHFFFAOYSA-N 0 0 402.450 4.413 20 5 HIBDRN COC(=O)[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c(F)cccc1Cl ZINC000447399643 871308121 /nfs/dbraw/zinc/30/81/21/871308121.db2.gz WVLLZZOCIBZSIW-HNNXBMFYSA-N 0 0 420.746 4.410 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cn3cc(Br)ccc3n1)CCC2 ZINC000447535234 871400433 /nfs/dbraw/zinc/40/04/33/871400433.db2.gz DQDDDVOJILOTFU-QGZVFWFLSA-N 0 0 401.264 4.172 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)n1cccn1 ZINC000447583008 871490100 /nfs/dbraw/zinc/49/01/00/871490100.db2.gz AOILXBYRDACLAT-VFNWGFHPSA-N 0 0 405.458 4.481 20 5 HIBDRN Cc1cc(Br)cn2cc(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)nc12 ZINC000447594631 871499480 /nfs/dbraw/zinc/49/94/80/871499480.db2.gz HHECVMWPAQLOIJ-GOSISDBHSA-N 0 0 415.291 4.481 20 5 HIBDRN O=C(NCc1ccccc1)c1cccc(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447602436 871510642 /nfs/dbraw/zinc/51/06/42/871510642.db2.gz SNPNBMVNCUYGQA-RTWAWAEBSA-N 0 0 419.485 4.317 20 5 HIBDRN C[C@@H](O)CCCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000447618720 871525662 /nfs/dbraw/zinc/52/56/62/871525662.db2.gz NIXHUMLYCJMJHL-GFCCVEGCSA-N 0 0 417.512 4.247 20 5 HIBDRN Cc1ccn(C2CCN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)CC2)n1 ZINC000447621390 871527119 /nfs/dbraw/zinc/52/71/19/871527119.db2.gz UYNWHSUFWRSCFD-UHFFFAOYSA-N 0 0 419.485 4.189 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccc(N2CCCC2)nc1 ZINC000447674741 871605825 /nfs/dbraw/zinc/60/58/25/871605825.db2.gz GIWZJXTYSRNSFM-UHFFFAOYSA-N 0 0 417.338 4.251 20 5 HIBDRN C[NH+](C)[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccsc1 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/nfs/dbraw/zinc/62/36/00/871623600.db2.gz QNAWKOKVPJECBD-UHFFFAOYSA-N 0 0 405.279 4.138 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000447692088 871627303 /nfs/dbraw/zinc/62/73/03/871627303.db2.gz YOXUMNLWMIAFCD-ZANVPECISA-N 0 0 413.368 4.111 20 5 HIBDRN CC(C)CC(=O)N1CCC(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000447691936 871628083 /nfs/dbraw/zinc/62/80/83/871628083.db2.gz XDDXBMSFDOETEU-UHFFFAOYSA-N 0 0 424.370 4.093 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000447696967 871637827 /nfs/dbraw/zinc/63/78/27/871637827.db2.gz CSAOAFLGGUNWBR-UHFFFAOYSA-N 0 0 420.212 4.318 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000447697255 871638061 /nfs/dbraw/zinc/63/80/61/871638061.db2.gz WXUPIQONTJGORG-UHFFFAOYSA-N 0 0 418.291 4.382 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000447720065 871661629 /nfs/dbraw/zinc/66/16/29/871661629.db2.gz 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COc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cn3)n2)cc1 ZINC000448101072 871944726 /nfs/dbraw/zinc/94/47/26/871944726.db2.gz ADURAQSKLMLACM-LLVKDONJSA-N 0 0 416.484 4.241 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n(-c2ccccc2)n1 ZINC000448172842 872047435 /nfs/dbraw/zinc/04/74/35/872047435.db2.gz FTKVDTYYNPUETC-AWEZNQCLSA-N 0 0 404.426 4.196 20 5 HIBDRN CSc1ccc(C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000448187952 872068859 /nfs/dbraw/zinc/06/88/59/872068859.db2.gz GCXOYVOUUSHBKB-AWEZNQCLSA-N 0 0 410.499 4.172 20 5 HIBDRN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@@H]1O ZINC000468550631 882591678 /nfs/dbraw/zinc/59/16/78/882591678.db2.gz AGAUCMJJQMCZPL-KRWDZBQOSA-N 0 0 406.891 4.242 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000468556866 882604647 /nfs/dbraw/zinc/60/46/47/882604647.db2.gz WXJKNAWIUPRWOH-KRWDZBQOSA-N 0 0 418.291 4.003 20 5 HIBDRN C[C@@H](CSCc1ccccc1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000448411013 872366486 /nfs/dbraw/zinc/36/64/86/872366486.db2.gz SCBTVANUBAWMJZ-AWEZNQCLSA-N 0 0 402.472 4.264 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000448448779 872392400 /nfs/dbraw/zinc/39/24/00/872392400.db2.gz SHMUEKZOBINKTR-QGZVFWFLSA-N 0 0 421.501 4.028 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000448449394 872394806 /nfs/dbraw/zinc/39/48/06/872394806.db2.gz WDSUOQDTZKAKHZ-UHFFFAOYSA-N 0 0 401.325 4.078 20 5 HIBDRN Nc1c(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000448453536 872400991 /nfs/dbraw/zinc/40/09/91/872400991.db2.gz ZRRUCSIAPWAFRR-UHFFFAOYSA-N 0 0 409.870 4.366 20 5 HIBDRN O=C(Nc1cc(-c2ccccc2F)on1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000448489938 872476749 /nfs/dbraw/zinc/47/67/49/872476749.db2.gz KURYEPNQKVIDKC-UHFFFAOYSA-N 0 0 417.371 4.867 20 5 HIBDRN O=C(Cc1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000460148439 872663056 /nfs/dbraw/zinc/66/30/56/872663056.db2.gz LAKIZLYPJSBTSQ-TWGQIWQCSA-N 0 0 418.331 4.348 20 5 HIBDRN CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000460165589 872715480 /nfs/dbraw/zinc/71/54/80/872715480.db2.gz KCZWVXVGZMLLBE-FQEVSTJZSA-N 0 0 405.458 4.051 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)cc1[N+](=O)[O-] ZINC000460167025 872717403 /nfs/dbraw/zinc/71/74/03/872717403.db2.gz MIAYEEOKSCNAGA-UHFFFAOYSA-N 0 0 424.436 4.137 20 5 HIBDRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000460172199 872727041 /nfs/dbraw/zinc/72/70/41/872727041.db2.gz PAEHIZBSOFMIBV-UHFFFAOYSA-N 0 0 417.465 4.426 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC000460179118 872739075 /nfs/dbraw/zinc/73/90/75/872739075.db2.gz XMZJPNUJJXLPEZ-UHFFFAOYSA-N 0 0 402.410 4.003 20 5 HIBDRN Cc1csc([C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C2CC2)n1 ZINC000460238354 872826950 /nfs/dbraw/zinc/82/69/50/872826950.db2.gz OWSRGEZWACWOAW-CQSZACIVSA-N 0 0 415.393 4.182 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000460316480 872902825 /nfs/dbraw/zinc/90/28/25/872902825.db2.gz BFAPYVVVAWBIQE-HNNXBMFYSA-N 0 0 409.412 4.432 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O ZINC000460329887 872933987 /nfs/dbraw/zinc/93/39/87/872933987.db2.gz DMAFHGKPVGODDA-UHFFFAOYSA-N 0 0 419.368 4.095 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](C)CN(C)c2ccccc21 ZINC000460338592 872947401 /nfs/dbraw/zinc/94/74/01/872947401.db2.gz JFYOAOOXDQJSIT-KGLIPLIRSA-N 0 0 403.866 4.135 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](C)CN(C)c2ccccc21 ZINC000460338594 872948114 /nfs/dbraw/zinc/94/81/14/872948114.db2.gz JFYOAOOXDQJSIT-ZIAGYGMSSA-N 0 0 403.866 4.135 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000460402599 873053360 /nfs/dbraw/zinc/05/33/60/873053360.db2.gz QDOXGIGCOUQJOK-HTAPYJJXSA-N 0 0 409.486 4.106 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000460402600 873053682 /nfs/dbraw/zinc/05/36/82/873053682.db2.gz QDOXGIGCOUQJOK-JTSKRJEESA-N 0 0 409.486 4.106 20 5 HIBDRN CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CCc1ccccc1)[C@@H]1CCSC1 ZINC000460408294 873059991 /nfs/dbraw/zinc/05/99/91/873059991.db2.gz BETWIALTZGFNNE-LJQANCHMSA-N 0 0 409.515 4.038 20 5 HIBDRN C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(-c2cccnc2)cc1 ZINC000460407936 873060429 /nfs/dbraw/zinc/06/04/29/873060429.db2.gz REERRVWNUYIFRD-INIZCTEOSA-N 0 0 418.453 4.322 20 5 HIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[C@@H]2CCC[C@H]21 ZINC000460416957 873074307 /nfs/dbraw/zinc/07/43/07/873074307.db2.gz USLGBNNRDTWYNG-MEDUHNTESA-N 0 0 409.273 4.492 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(-c3ccoc3)n1CCc1ccccc1)CC2 ZINC000460424879 873086778 /nfs/dbraw/zinc/08/67/78/873086778.db2.gz KESFJXOGQOTJNT-UHFFFAOYSA-N 0 0 415.453 4.252 20 5 HIBDRN Cc1c(=O)[nH]c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc1-c1ccccc1 ZINC000460432552 873097571 /nfs/dbraw/zinc/09/75/71/873097571.db2.gz ZLZFKSDARBGHBT-UHFFFAOYSA-N 0 0 411.439 4.225 20 5 HIBDRN Cc1c(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000460451266 873124740 /nfs/dbraw/zinc/12/47/40/873124740.db2.gz UMBYTDUCNBYFCA-ZDUSSCGKSA-N 0 0 410.455 4.185 20 5 HIBDRN COC(=O)c1ccccc1N(C(=O)c1cc(SC)ccc1[N+](=O)[O-])C1CCC1 ZINC000460460697 873142344 /nfs/dbraw/zinc/14/23/44/873142344.db2.gz NRBMJPZEARIXPB-UHFFFAOYSA-N 0 0 400.456 4.303 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000460474511 873160349 /nfs/dbraw/zinc/16/03/49/873160349.db2.gz VSUJHZIWDXQJNW-UHFFFAOYSA-N 0 0 409.339 4.280 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1OC(F)F ZINC000460483732 873169396 /nfs/dbraw/zinc/16/93/96/873169396.db2.gz SAPATVWHURPVSN-QMMMGPOBSA-N 0 0 404.728 4.395 20 5 HIBDRN Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCc3ccccc3[N+](=O)[O-])c12 ZINC000460488809 873174123 /nfs/dbraw/zinc/17/41/23/873174123.db2.gz IXZMQZGYACLCNY-UHFFFAOYSA-N 0 0 402.410 4.079 20 5 HIBDRN Cc1c(C(=O)NCCc2ccccc2[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 ZINC000460489472 873175429 /nfs/dbraw/zinc/17/54/29/873175429.db2.gz FABIKRAABRGWGA-UHFFFAOYSA-N 0 0 418.375 4.080 20 5 HIBDRN Cc1cc(Br)ccc1SCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000460501830 873188453 /nfs/dbraw/zinc/18/84/53/873188453.db2.gz PLBUKWGNEKMHDS-UHFFFAOYSA-N 0 0 409.305 4.117 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1OC(F)F ZINC000460503262 873188667 /nfs/dbraw/zinc/18/86/67/873188667.db2.gz KNQXGMMWNHGTDA-UHFFFAOYSA-N 0 0 404.728 4.396 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000460551493 873262036 /nfs/dbraw/zinc/26/20/36/873262036.db2.gz DLCYURZDYPYFLU-IBGZPJMESA-N 0 0 403.429 4.091 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@H](C)CO2)c1 ZINC000460556862 873275500 /nfs/dbraw/zinc/27/55/00/873275500.db2.gz VUDFHNRIHPUJET-FOIQADDNSA-N 0 0 402.878 4.396 20 5 HIBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000460558341 873280276 /nfs/dbraw/zinc/28/02/76/873280276.db2.gz PFDJQEXVMNHANR-HXUWFJFHSA-N 0 0 403.429 4.091 20 5 HIBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000460571375 873305006 /nfs/dbraw/zinc/30/50/06/873305006.db2.gz HSXNSNVPHXCORR-FQEVSTJZSA-N 0 0 403.429 4.091 20 5 HIBDRN CC[C@@H]1CN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000460632172 873374038 /nfs/dbraw/zinc/37/40/38/873374038.db2.gz VGDVHTCCDOUIBQ-OAHLLOKOSA-N 0 0 402.472 4.041 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCc2ccccc2C1 ZINC000460686340 873442032 /nfs/dbraw/zinc/44/20/32/873442032.db2.gz UOEXIPSAZHRXBR-UHFFFAOYSA-N 0 0 421.501 4.233 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1C1CCCC1 ZINC000460721219 873521631 /nfs/dbraw/zinc/52/16/31/873521631.db2.gz DTWHSPQGUBZCEA-FQEVSTJZSA-N 0 0 413.522 4.439 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000468621835 882740769 /nfs/dbraw/zinc/74/07/69/882740769.db2.gz OZLIFPDEPUJBJI-GOSISDBHSA-N 0 0 408.401 4.407 20 5 HIBDRN CC(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460855847 873757194 /nfs/dbraw/zinc/75/71/94/873757194.db2.gz DXUVAEJFQDWGPT-NRFANRHFSA-N 0 0 419.485 4.081 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000460875945 873785579 /nfs/dbraw/zinc/78/55/79/873785579.db2.gz NHQUBJRUEHVGQN-DVECYGJZSA-N 0 0 412.489 4.191 20 5 HIBDRN CCN(Cc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000460915221 873821956 /nfs/dbraw/zinc/82/19/56/873821956.db2.gz STTSHMPZWYBDOX-FQEVSTJZSA-N 0 0 407.474 4.059 20 5 HIBDRN CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000460941378 873842137 /nfs/dbraw/zinc/84/21/37/873842137.db2.gz ZMQDNNVWNBLKJX-KRWDZBQOSA-N 0 0 413.503 4.120 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000460961197 873857487 /nfs/dbraw/zinc/85/74/87/873857487.db2.gz SGHGLIIISBLTNH-UHFFFAOYSA-N 0 0 403.276 4.138 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)cc([N+](=O)[O-])c1OC ZINC000461006533 873881571 /nfs/dbraw/zinc/88/15/71/873881571.db2.gz KGAGZIIPQJUOAJ-ZDUSSCGKSA-N 0 0 419.503 4.212 20 5 HIBDRN C[C@H](N(C)C(=O)c1cc(C(=O)N(C)[C@@H](C)C2(C)CC2)cc([N+](=O)[O-])c1)C1(C)CC1 ZINC000461024931 873890776 /nfs/dbraw/zinc/89/07/76/873890776.db2.gz CPKUMEKHAKDKFR-GJZGRUSLSA-N 0 0 401.507 4.116 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc(C)cc(C)c2Br)cc([N+](=O)[O-])c1 ZINC000461024426 873891159 /nfs/dbraw/zinc/89/11/59/873891159.db2.gz KXVFGTDYTRHLBH-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2sc(C)nc2C)cc1 ZINC000461035281 873896966 /nfs/dbraw/zinc/89/69/66/873896966.db2.gz AUFMEUXPBRDTEU-UHFFFAOYSA-N 0 0 413.455 4.399 20 5 HIBDRN CC(C)CCc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@H]1CCCO1 ZINC000461051408 873922770 /nfs/dbraw/zinc/92/27/70/873922770.db2.gz MWFKFOOXOKTFMQ-HXUWFJFHSA-N 0 0 413.522 4.123 20 5 HIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCc2c1cccc2F ZINC000461068237 873955279 /nfs/dbraw/zinc/95/52/79/873955279.db2.gz RNDHDOMQKGURBZ-UHFFFAOYSA-N 0 0 421.215 4.429 20 5 HIBDRN C[C@@H]1c2ccccc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000461074856 873971102 /nfs/dbraw/zinc/97/11/02/873971102.db2.gz MHXGUYXYKZURJI-UZLBHIALSA-N 0 0 419.485 4.156 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000461087138 873998872 /nfs/dbraw/zinc/99/88/72/873998872.db2.gz MMBLWISDAPWZPF-INIZCTEOSA-N 0 0 420.494 4.468 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000461088188 874001217 /nfs/dbraw/zinc/00/12/17/874001217.db2.gz NYFFNDXTVLLNFP-DJIMGWMZSA-N 0 0 421.284 4.113 20 5 HIBDRN C[C@@H]1c2ccccc2CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000461149527 874096544 /nfs/dbraw/zinc/09/65/44/874096544.db2.gz 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Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000464010619 877146965 /nfs/dbraw/zinc/14/69/65/877146965.db2.gz XZXIWSIRHPBZOJ-QGZVFWFLSA-N 0 0 403.866 4.317 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000464020318 877155782 /nfs/dbraw/zinc/15/57/82/877155782.db2.gz MUQJDUNNAMYRDI-JTQLQIEISA-N 0 0 402.756 4.464 20 5 HIBDRN COc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000464022610 877157430 /nfs/dbraw/zinc/15/74/30/877157430.db2.gz CDIVBACBCWGUAE-KRWDZBQOSA-N 0 0 413.474 4.062 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC(C)(C)c1c(F)cccc1Cl ZINC000464028201 877163686 /nfs/dbraw/zinc/16/36/86/877163686.db2.gz JAERVLWCZZNPKG-UHFFFAOYSA-N 0 0 421.856 4.037 20 5 HIBDRN CCOC(=O)CCc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000464071549 877220227 /nfs/dbraw/zinc/22/02/27/877220227.db2.gz DIMLPZAKUBJAJO-UHFFFAOYSA-N 0 0 410.348 4.362 20 5 HIBDRN COc1cc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1F ZINC000469039360 883110838 /nfs/dbraw/zinc/11/08/38/883110838.db2.gz MTYXPLGLONSFPX-UHFFFAOYSA-N 0 0 416.430 4.138 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)cc1[N+](=O)[O-] ZINC000464105482 877262889 /nfs/dbraw/zinc/26/28/89/877262889.db2.gz VOKYPJJHHKPMFN-UHFFFAOYSA-N 0 0 411.487 4.126 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000503240044 912221406 /nfs/dbraw/zinc/22/14/06/912221406.db2.gz HYFHSRNPCURJTQ-CYBMUJFWSA-N 0 0 422.235 4.011 20 5 HIBDRN CCC(=O)N1CSC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000464190199 877361084 /nfs/dbraw/zinc/36/10/84/877361084.db2.gz UIFFHGSDGIDKDC-ZDUSSCGKSA-N 0 0 423.541 4.058 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000464202540 877372405 /nfs/dbraw/zinc/37/24/05/877372405.db2.gz BQOIPHVTVYVVRL-SFHVURJKSA-N 0 0 411.483 4.286 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000464225686 877398776 /nfs/dbraw/zinc/39/87/76/877398776.db2.gz HXVRVGZUSLBGDD-JTQLQIEISA-N 0 0 409.284 4.108 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cn(C(C)(C)C)nc2C)cc1SC ZINC000464232608 877408482 /nfs/dbraw/zinc/40/84/82/877408482.db2.gz MCLDBEIKSNBXSW-NSHDSACASA-N 0 0 406.508 4.076 20 5 HIBDRN COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(C)C ZINC000464257184 877435565 /nfs/dbraw/zinc/43/55/65/877435565.db2.gz FMKONGCBUNKNFF-GFCCVEGCSA-N 0 0 408.838 4.450 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464264452 877446442 /nfs/dbraw/zinc/44/64/42/877446442.db2.gz HWQNYSODYUPUFR-LBPRGKRZSA-N 0 0 408.886 4.154 20 5 HIBDRN CCc1cc(NC(=O)c2sc(C(F)(F)F)nc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000464282402 877470648 /nfs/dbraw/zinc/47/06/48/877470648.db2.gz VBQMHLBWINNULO-UHFFFAOYSA-N 0 0 410.377 4.163 20 5 HIBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(S[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000503258760 912238789 /nfs/dbraw/zinc/23/87/89/912238789.db2.gz XKVUKQCIEXBIJW-MRXNPFEDSA-N 0 0 422.528 4.081 20 5 HIBDRN CCOc1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2ncccc12 ZINC000464328449 877518791 /nfs/dbraw/zinc/51/87/91/877518791.db2.gz PSULPPDOGXXLAC-UHFFFAOYSA-N 0 0 417.425 4.195 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CCc2c(Br)ccc(Cl)c2C1 ZINC000464362980 877560453 /nfs/dbraw/zinc/56/04/53/877560453.db2.gz KGEPUKSIBMRIAZ-UHFFFAOYSA-N 0 0 424.682 4.279 20 5 HIBDRN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464421026 877630238 /nfs/dbraw/zinc/63/02/38/877630238.db2.gz OVQPLVXGUMVAPU-RVKKMQEKSA-N 0 0 411.483 4.098 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 ZINC000464428068 877638045 /nfs/dbraw/zinc/63/80/45/877638045.db2.gz KSIVCYSIEZRSTC-QAPCUYQASA-N 0 0 408.483 4.103 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000464451509 877669442 /nfs/dbraw/zinc/66/94/42/877669442.db2.gz AGKFZTOBHNQOEH-NSHDSACASA-N 0 0 402.859 4.447 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000464451508 877669612 /nfs/dbraw/zinc/66/96/12/877669612.db2.gz AGKFZTOBHNQOEH-LLVKDONJSA-N 0 0 402.859 4.447 20 5 HIBDRN COc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1OC(C)C ZINC000464456278 877675806 /nfs/dbraw/zinc/67/58/06/877675806.db2.gz RDWLBYRYTIWGSA-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000464486597 877707114 /nfs/dbraw/zinc/70/71/14/877707114.db2.gz MTKRTIADIUMIER-UHFFFAOYSA-N 0 0 411.458 4.054 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)[C@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000464548515 877763886 /nfs/dbraw/zinc/76/38/86/877763886.db2.gz KUOZJOZDFLDGGF-BTYIYWSLSA-N 0 0 404.470 4.290 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)cc1[N+](=O)[O-] ZINC000464548964 877765456 /nfs/dbraw/zinc/76/54/56/877765456.db2.gz NDOVKQUWXIJRSH-UHFFFAOYSA-N 0 0 400.450 4.467 20 5 HIBDRN COC(=O)[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(C)C ZINC000464551119 877767512 /nfs/dbraw/zinc/76/75/12/877767512.db2.gz BJLFIVQBSOKIHW-INIZCTEOSA-N 0 0 422.890 4.327 20 5 HIBDRN Cc1cc(C2CC2)nc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000464592171 877818051 /nfs/dbraw/zinc/81/80/51/877818051.db2.gz KELRFSOWMPKXPD-OKILXGFUSA-N 0 0 409.490 4.305 20 5 HIBDRN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000464629897 877847564 /nfs/dbraw/zinc/84/75/64/877847564.db2.gz QWGZUHDANBZRMI-ZVEHZALQSA-N 0 0 410.470 4.485 20 5 HIBDRN Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464631904 877849020 /nfs/dbraw/zinc/84/90/20/877849020.db2.gz OMYZKQZCZPHGOD-UHFFFAOYSA-N 0 0 409.417 4.274 20 5 HIBDRN O=C(c1ccc(F)cc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464630819 877849182 /nfs/dbraw/zinc/84/91/82/877849182.db2.gz MZQNPBGHFMDLFH-UHFFFAOYSA-N 0 0 423.238 4.180 20 5 HIBDRN O=C([C@H]1C[C@H]1c1c(F)cccc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464639277 877856558 /nfs/dbraw/zinc/85/65/58/877856558.db2.gz SXCZHUZUEPGZCD-SJORKVTESA-N 0 0 402.397 4.047 20 5 HIBDRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464639864 877857912 /nfs/dbraw/zinc/85/79/12/877857912.db2.gz WIVXDUUAUCYXEG-NDXORKPFSA-N 0 0 404.507 4.339 20 5 HIBDRN CC(C)c1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1C(C)(C)C ZINC000464639890 877858265 /nfs/dbraw/zinc/85/82/65/877858265.db2.gz WPDWCCAWKNQYCC-UHFFFAOYSA-N 0 0 414.506 4.353 20 5 HIBDRN C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Oc1ccc(Br)cc1 ZINC000464641749 877859462 /nfs/dbraw/zinc/85/94/62/877859462.db2.gz ZECQQPDNWZRTDD-LLVKDONJSA-N 0 0 418.247 4.036 20 5 HIBDRN Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464645841 877864860 /nfs/dbraw/zinc/86/48/60/877864860.db2.gz VMEXYPKCQSJORS-OAHLLOKOSA-N 0 0 418.877 4.394 20 5 HIBDRN CC(C)c1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n(-c2ccccc2)n1 ZINC000464658260 877880044 /nfs/dbraw/zinc/88/00/44/877880044.db2.gz DLARFCYAEDKBBR-UHFFFAOYSA-N 0 0 416.441 4.342 20 5 HIBDRN Cc1cc(Br)ccc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464659392 877880534 /nfs/dbraw/zinc/88/05/34/877880534.db2.gz FJMXYUASLQIDIY-UHFFFAOYSA-N 0 0 419.275 4.349 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464663023 877883750 /nfs/dbraw/zinc/88/37/50/877883750.db2.gz VFPOJCZATYIYOK-RTBURBONSA-N 0 0 400.862 4.422 20 5 HIBDRN O=C(CSc1ccc(F)c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464665472 877885255 /nfs/dbraw/zinc/88/52/55/877885255.db2.gz GHXXGFOOVUKSIJ-UHFFFAOYSA-N 0 0 408.426 4.035 20 5 HIBDRN O=C(c1cccc(-c2cscn2)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464664807 877885407 /nfs/dbraw/zinc/88/54/07/877885407.db2.gz QBXUQLMXHIJZFJ-UHFFFAOYSA-N 0 0 409.467 4.402 20 5 HIBDRN COc1cc(COc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000503304315 912286700 /nfs/dbraw/zinc/28/67/00/912286700.db2.gz VQKLWEFISZMRHY-UHFFFAOYSA-N 0 0 405.357 4.012 20 5 HIBDRN C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)Oc1cccc(Br)c1 ZINC000464691416 877905261 /nfs/dbraw/zinc/90/52/61/877905261.db2.gz OFBKBSAHQYXTNH-NSHDSACASA-N 0 0 418.247 4.036 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)cc1SC ZINC000464703583 877923540 /nfs/dbraw/zinc/92/35/40/877923540.db2.gz ZTYJFEQIEYPUSD-LLVKDONJSA-N 0 0 420.491 4.247 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000464714031 877940271 /nfs/dbraw/zinc/94/02/71/877940271.db2.gz QYSKCHQIFNMIKZ-UHFFFAOYSA-N 0 0 409.467 4.401 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000464718691 877946133 /nfs/dbraw/zinc/94/61/33/877946133.db2.gz FRPJNRYNFMOKRV-AWEZNQCLSA-N 0 0 411.487 4.017 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 ZINC000464720005 877947601 /nfs/dbraw/zinc/94/76/01/877947601.db2.gz NUJXUGWICRJMHK-UGKGYDQZSA-N 0 0 420.469 4.118 20 5 HIBDRN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1nccn1Cc1ccccc1 ZINC000464731313 877967750 /nfs/dbraw/zinc/96/77/50/877967750.db2.gz HHDHBAVKCAFEMA-UHFFFAOYSA-N 0 0 417.469 4.169 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464735457 877972204 /nfs/dbraw/zinc/97/22/04/877972204.db2.gz SUMDPPDVGWMXIF-CQSZACIVSA-N 0 0 421.847 4.261 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](CSc2ccccc2)C1 ZINC000464760946 878003846 /nfs/dbraw/zinc/00/38/46/878003846.db2.gz KIRXFPMINGSRMT-HZPDHXFCSA-N 0 0 415.515 4.045 20 5 HIBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000464764826 878007966 /nfs/dbraw/zinc/00/79/66/878007966.db2.gz ITSAEMZIDMTSJV-CVEARBPZSA-N 0 0 401.894 4.085 20 5 HIBDRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464770531 878011684 /nfs/dbraw/zinc/01/16/84/878011684.db2.gz BTENDNTXDKXZQW-HNNXBMFYSA-N 0 0 417.893 4.427 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)cc1OC ZINC000464801105 878043790 /nfs/dbraw/zinc/04/37/90/878043790.db2.gz ZDDBUTHPOXATDO-OAHLLOKOSA-N 0 0 424.453 4.412 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N1CC[C@@]2(CCOC2)C1 ZINC000464844790 878118024 /nfs/dbraw/zinc/11/80/24/878118024.db2.gz CDPJYIDCVFRXAL-PZJWPPBQSA-N 0 0 415.877 4.040 20 5 HIBDRN CC(C)N(CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000464865269 878146778 /nfs/dbraw/zinc/14/67/78/878146778.db2.gz FLIUDWZGMHCOIN-UHFFFAOYSA-N 0 0 400.460 4.160 20 5 HIBDRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000464996048 878350034 /nfs/dbraw/zinc/35/00/34/878350034.db2.gz IQUCANWGPQPTTP-AWEZNQCLSA-N 0 0 402.447 4.028 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)cc1SC ZINC000464997156 878350834 /nfs/dbraw/zinc/35/08/34/878350834.db2.gz WUTXHOCGYBPFRZ-ZDUSSCGKSA-N 0 0 412.471 4.002 20 5 HIBDRN Cc1ccc(OC(F)F)c(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000465001331 878355767 /nfs/dbraw/zinc/35/57/67/878355767.db2.gz HIYNNOVZURAWED-UHFFFAOYSA-N 0 0 419.428 4.037 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cc(Cl)cc(Cl)c1OC(F)F 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CDNLIOXXEWXHDB-RDTXWAMCSA-N 0 0 414.458 4.064 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000465170510 878556145 /nfs/dbraw/zinc/55/61/45/878556145.db2.gz WWDGWSLZZOOIGJ-UHFFFAOYSA-N 0 0 418.449 4.253 20 5 HIBDRN CC(C)Cn1ccc2cc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)ccc21 ZINC000465171894 878557708 /nfs/dbraw/zinc/55/77/08/878557708.db2.gz ZNMFXINMTVMACG-UHFFFAOYSA-N 0 0 409.442 4.158 20 5 HIBDRN CC[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000465187263 878580227 /nfs/dbraw/zinc/58/02/27/878580227.db2.gz RTWBZUJDVLJULU-SNVBAGLBSA-N 0 0 402.398 4.140 20 5 HIBDRN CC[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000465248298 878672210 /nfs/dbraw/zinc/67/22/10/878672210.db2.gz AWMZIPFESSVELH-NSHDSACASA-N 0 0 405.423 4.430 20 5 HIBDRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000465257535 878684836 /nfs/dbraw/zinc/68/48/36/878684836.db2.gz GIHFZUUSYLTMHD-UHFFFAOYSA-N 0 0 416.411 4.026 20 5 HIBDRN 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ZINC000465722950 879297748 /nfs/dbraw/zinc/29/77/48/879297748.db2.gz REIDLCJURFSPLE-GOSISDBHSA-N 0 0 403.454 4.151 20 5 HIBDRN O=C(NCc1ccc(F)c(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465845338 879484656 /nfs/dbraw/zinc/48/46/56/879484656.db2.gz VLBXIHNUTPKEKF-UHFFFAOYSA-N 0 0 407.829 4.140 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N(C1CC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503452314 912473436 /nfs/dbraw/zinc/47/34/36/912473436.db2.gz YFNGUINOQKURQR-AWEZNQCLSA-N 0 0 408.907 4.346 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000465990938 879666971 /nfs/dbraw/zinc/66/69/71/879666971.db2.gz DSPHSCMDBCANMN-INIZCTEOSA-N 0 0 402.882 4.059 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Oc3ccccc3)nc2)cc1OC ZINC000503457630 912485865 /nfs/dbraw/zinc/48/58/65/912485865.db2.gz OMSGCAIVFWILMD-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000466037646 879726866 /nfs/dbraw/zinc/72/68/66/879726866.db2.gz CJFJXCIQFUQJTI-QFBILLFUSA-N 0 0 407.373 4.057 20 5 HIBDRN Cc1cnc([C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C2CC2)s1 ZINC000466114201 879827995 /nfs/dbraw/zinc/82/79/95/879827995.db2.gz FIDNWITTYFDXPS-SFHVURJKSA-N 0 0 416.503 4.064 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000466141100 879851392 /nfs/dbraw/zinc/85/13/92/879851392.db2.gz HJEJEKOTVCALSP-UHFFFAOYSA-N 0 0 418.881 4.094 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000466153415 879857981 /nfs/dbraw/zinc/85/79/81/879857981.db2.gz JWAXKBKTDXGTMC-UHFFFAOYSA-N 0 0 409.486 4.227 20 5 HIBDRN Cc1ccccc1CN(Cc1cccnc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000466158803 879862721 /nfs/dbraw/zinc/86/27/21/879862721.db2.gz RQDQMCOAEPFETP-UHFFFAOYSA-N 0 0 404.470 4.253 20 5 HIBDRN Cc1ccc(CC[C@H](C)NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000466212404 879904251 /nfs/dbraw/zinc/90/42/51/879904251.db2.gz WWUCPEFEEFAIAY-HNNXBMFYSA-N 0 0 401.463 4.070 20 5 HIBDRN 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/nfs/dbraw/zinc/03/80/61/880038061.db2.gz LKXVUCHEHKIZHG-UHFFFAOYSA-N 0 0 422.890 4.208 20 5 HIBDRN COc1cc(C(=O)Nc2cncnc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000466296498 880042428 /nfs/dbraw/zinc/04/24/28/880042428.db2.gz IMJKTWRAFHIDRW-UHFFFAOYSA-N 0 0 400.778 4.091 20 5 HIBDRN CCOc1ccc(Oc2cc(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])ccn2)cc1 ZINC000466301342 880049276 /nfs/dbraw/zinc/04/92/76/880049276.db2.gz YKUHOSJNANGZSV-UHFFFAOYSA-N 0 0 411.389 4.250 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000466302264 880051058 /nfs/dbraw/zinc/05/10/58/880051058.db2.gz DNEGIDCRVXXLAU-HNNXBMFYSA-N 0 0 423.238 4.239 20 5 HIBDRN O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466307590 880058940 /nfs/dbraw/zinc/05/89/40/880058940.db2.gz OCFAIMWYKGWFKV-UHFFFAOYSA-N 0 0 411.364 4.055 20 5 HIBDRN CC(C)(C)n1ncc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1C(F)(F)F ZINC000466312636 880065229 /nfs/dbraw/zinc/06/52/29/880065229.db2.gz RAJDYZZVWLGIHY-UHFFFAOYSA-N 0 0 404.776 4.149 20 5 HIBDRN CC(C)(C(=O)NCc1cc2cc(Br)ccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000466330675 880084303 /nfs/dbraw/zinc/08/43/03/880084303.db2.gz ZSCSHINLQXFUAF-UHFFFAOYSA-N 0 0 416.275 4.433 20 5 HIBDRN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466334956 880090437 /nfs/dbraw/zinc/09/04/37/880090437.db2.gz QGYLMSNUPDJMIF-UHFFFAOYSA-N 0 0 405.813 4.266 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccncc2OCC(F)(F)F)o1 ZINC000466415327 880185672 /nfs/dbraw/zinc/18/56/72/880185672.db2.gz NCHXUAWSMDQONA-UHFFFAOYSA-N 0 0 407.348 4.481 20 5 HIBDRN COCCOC[C@@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466428241 880202904 /nfs/dbraw/zinc/20/29/04/880202904.db2.gz KCYCPEJITOJUCS-CYBMUJFWSA-N 0 0 424.906 4.181 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)c(Br)cc2Cl)c1 ZINC000466463195 880244985 /nfs/dbraw/zinc/24/49/85/880244985.db2.gz FTGADSAGJFHHMS-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN O=[N+]([O-])c1ccc(CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c(Cl)c1 ZINC000466471943 880254189 /nfs/dbraw/zinc/25/41/89/880254189.db2.gz UVUDEBMRQNEAPN-UHFFFAOYSA-N 0 0 412.664 4.426 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(OC)cc2)c1CC ZINC000466512294 880285974 /nfs/dbraw/zinc/28/59/74/880285974.db2.gz BTWDYJSAGOICOM-UHFFFAOYSA-N 0 0 410.430 4.003 20 5 HIBDRN O=C(NCCc1cnccn1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466535510 880309352 /nfs/dbraw/zinc/30/93/52/880309352.db2.gz ZZFCBUUMNLTATQ-UHFFFAOYSA-N 0 0 414.874 4.162 20 5 HIBDRN O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466541044 880315620 /nfs/dbraw/zinc/31/56/20/880315620.db2.gz QDCSKPRPKJPXPC-HDJSIYSDSA-N 0 0 406.891 4.433 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466565465 880340376 /nfs/dbraw/zinc/34/03/76/880340376.db2.gz IEKUZGXJTVZICQ-ZDUSSCGKSA-N 0 0 418.881 4.232 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466565464 880340686 /nfs/dbraw/zinc/34/06/86/880340686.db2.gz IEKUZGXJTVZICQ-CYBMUJFWSA-N 0 0 418.881 4.232 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000466584234 880358462 /nfs/dbraw/zinc/35/84/62/880358462.db2.gz BNNGOEFAPWONPK-APWZRJJASA-N 0 0 403.866 4.215 20 5 HIBDRN COC(=O)[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(C)C ZINC000466594460 880366353 /nfs/dbraw/zinc/36/63/53/880366353.db2.gz BJLFIVQBSOKIHW-MRXNPFEDSA-N 0 0 422.890 4.327 20 5 HIBDRN Cc1sc(NC(=O)Cc2cccc([N+](=O)[O-])c2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000466607511 880377718 /nfs/dbraw/zinc/37/77/18/880377718.db2.gz BAWXGGPGAGAQGP-UHFFFAOYSA-N 0 0 422.466 4.093 20 5 HIBDRN O=C(NCCn1cccn1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466617937 880388519 /nfs/dbraw/zinc/38/85/19/880388519.db2.gz KFYSTFOOHAGZMF-UHFFFAOYSA-N 0 0 402.863 4.026 20 5 HIBDRN Cc1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000466621295 880393446 /nfs/dbraw/zinc/39/34/46/880393446.db2.gz QGUULYADNHLITC-OAHLLOKOSA-N 0 0 404.850 4.044 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Br)c(F)cc1F ZINC000466685612 880474948 /nfs/dbraw/zinc/47/49/48/880474948.db2.gz XXIHEDRDSZHWRW-UHFFFAOYSA-N 0 0 400.179 4.299 20 5 HIBDRN CCOc1cc(NC(=O)NCc2ccc(C)cc2OC)c([N+](=O)[O-])cc1OCC ZINC000466750092 880531342 /nfs/dbraw/zinc/53/13/42/880531342.db2.gz SWALMEYBBSWXNO-UHFFFAOYSA-N 0 0 403.435 4.031 20 5 HIBDRN C[C@H]1CC[C@H](C)N1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000466772047 880552716 /nfs/dbraw/zinc/55/27/16/880552716.db2.gz SHOMGJNPCWDVOC-IRXDYDNUSA-N 0 0 404.470 4.389 20 5 HIBDRN CC(C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466779182 880558657 /nfs/dbraw/zinc/55/86/57/880558657.db2.gz PRPXXWHEYREDKD-UHFFFAOYSA-N 0 0 421.906 4.044 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000466831575 880600535 /nfs/dbraw/zinc/60/05/35/880600535.db2.gz NEEJCUZEVHQVLO-GNOCETLISA-N 0 0 424.501 4.098 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)CCC3CCOCC3)cc2[N+](=O)[O-])n1 ZINC000466835781 880604574 /nfs/dbraw/zinc/60/45/74/880604574.db2.gz QFGYHVKCMNVMIG-UHFFFAOYSA-N 0 0 421.544 4.400 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N(C)Cc3cc(Cl)cn3C)cc2[N+](=O)[O-])CC1 ZINC000466849294 880620116 /nfs/dbraw/zinc/62/01/16/880620116.db2.gz OJEDIFKXOOVPHR-UHFFFAOYSA-N 0 0 404.898 4.095 20 5 HIBDRN COC[C@@H]1CCCCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000466851415 880621736 /nfs/dbraw/zinc/62/17/36/880621736.db2.gz FHHYDDSKMSXDJE-CQSZACIVSA-N 0 0 421.544 4.400 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c(C)c1[N+](=O)[O-] ZINC000466906899 880672766 /nfs/dbraw/zinc/67/27/66/880672766.db2.gz UHFUCNVOHQGJJX-UHFFFAOYSA-N 0 0 419.441 4.169 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1nnc(-c2ccccc2)s1 ZINC000467040056 880836921 /nfs/dbraw/zinc/83/69/21/880836921.db2.gz GNJIYFMNOAFGMA-ZDUSSCGKSA-N 0 0 403.485 4.098 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Br ZINC000467040409 880837208 /nfs/dbraw/zinc/83/72/08/880837208.db2.gz JVBUJHSYQOEJRX-UHFFFAOYSA-N 0 0 412.671 4.325 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467048663 880841314 /nfs/dbraw/zinc/84/13/14/880841314.db2.gz FCEYUDATHGWZGL-JTQLQIEISA-N 0 0 403.551 4.235 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000467064339 880848531 /nfs/dbraw/zinc/84/85/31/880848531.db2.gz VNDQGUGMYYJSJW-CQSZACIVSA-N 0 0 402.444 4.159 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CCCC[C@H]2c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000467064338 880848649 /nfs/dbraw/zinc/84/86/49/880848649.db2.gz VNDQGUGMYYJSJW-AWEZNQCLSA-N 0 0 402.444 4.159 20 5 HIBDRN CCOc1cc(NC(=O)N2CCCC[C@@H](CCOC)C2)c([N+](=O)[O-])cc1OCC ZINC000467097103 880861183 /nfs/dbraw/zinc/86/11/83/880861183.db2.gz VXGZKEIJZXOELE-HNNXBMFYSA-N 0 0 409.483 4.063 20 5 HIBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000467113017 880872146 /nfs/dbraw/zinc/87/21/46/880872146.db2.gz OLXMBUGKNJQLOF-UHFFFAOYSA-N 0 0 419.456 4.281 20 5 HIBDRN COCc1ccc([C@@H]2CCCN2C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000467170739 880898686 /nfs/dbraw/zinc/89/86/86/880898686.db2.gz IYJZIHQZNKZRIE-AWEZNQCLSA-N 0 0 411.361 4.305 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[nH]2)cccc1[N+](=O)[O-] ZINC000467209245 880937583 /nfs/dbraw/zinc/93/75/83/880937583.db2.gz ZCGGYUDFNOBDMX-AWEZNQCLSA-N 0 0 424.482 4.494 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000467213153 880942610 /nfs/dbraw/zinc/94/26/10/880942610.db2.gz BOBJJNJSBSXEAP-UHFFFAOYSA-N 0 0 411.849 4.123 20 5 HIBDRN CN(Cc1ccccc1N1CCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467214803 880944237 /nfs/dbraw/zinc/94/42/37/880944237.db2.gz GCNLAILXWXFHHJ-UHFFFAOYSA-N 0 0 402.882 4.190 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000467216795 880946827 /nfs/dbraw/zinc/94/68/27/880946827.db2.gz LKNKTJDBYLKOJL-IBGZPJMESA-N 0 0 417.893 4.182 20 5 HIBDRN CN1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000467223705 880953029 /nfs/dbraw/zinc/95/30/29/880953029.db2.gz GLQLNGWJSRXZPP-MSOLQXFVSA-N 0 0 423.300 4.146 20 5 HIBDRN CN1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000467223710 880953438 /nfs/dbraw/zinc/95/34/38/880953438.db2.gz GLQLNGWJSRXZPP-ZWKOTPCHSA-N 0 0 423.300 4.146 20 5 HIBDRN COc1ccc(C[C@@H](C)CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000467225740 880954613 /nfs/dbraw/zinc/95/46/13/880954613.db2.gz ASHMFWVLYHJIGD-CQSZACIVSA-N 0 0 405.882 4.277 20 5 HIBDRN CCOc1cc(NC(=O)N2CCO[C@@H](c3ccsc3)C2)c([N+](=O)[O-])cc1OCC ZINC000467449934 881253488 /nfs/dbraw/zinc/25/34/88/881253488.db2.gz SPKNYMOXZRGUBO-GOSISDBHSA-N 0 0 421.475 4.059 20 5 HIBDRN CCOc1cc(NC(=O)N2CCO[C@H](c3ccsc3)C2)c([N+](=O)[O-])cc1OCC ZINC000467449935 881253905 /nfs/dbraw/zinc/25/39/05/881253905.db2.gz SPKNYMOXZRGUBO-SFHVURJKSA-N 0 0 421.475 4.059 20 5 HIBDRN COc1cc(C(=O)NCc2ncc(C)o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000467464896 881276559 /nfs/dbraw/zinc/27/65/59/881276559.db2.gz DBNHTGJHPHRCAD-UHFFFAOYSA-N 0 0 417.805 4.276 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000467474402 881292489 /nfs/dbraw/zinc/29/24/89/881292489.db2.gz GJKXNMKKFMFJPJ-FQEVSTJZSA-N 0 0 407.474 4.301 20 5 HIBDRN CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000503582734 912668687 /nfs/dbraw/zinc/66/86/87/912668687.db2.gz GEBGHUVAHUYMQS-QGZVFWFLSA-N 0 0 404.536 4.102 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000469109032 883201018 /nfs/dbraw/zinc/20/10/18/883201018.db2.gz XIQWNQKXWHHBMO-STQMWFEESA-N 0 0 407.854 4.101 20 5 HIBDRN Cc1ccnc(-c2n[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3Br)n2)c1 ZINC000503598170 912687481 /nfs/dbraw/zinc/68/74/81/912687481.db2.gz QHIPZDMJBDVXRC-JTQLQIEISA-N 0 0 403.240 4.019 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000503600495 912690995 /nfs/dbraw/zinc/69/09/95/912690995.db2.gz DPWHFOMHVMJTLY-UHFFFAOYSA-N 0 0 400.818 4.318 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(OC(C)(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000469298896 883397900 /nfs/dbraw/zinc/39/79/00/883397900.db2.gz XFNCLVFFKSTGKW-CALCHBBNSA-N 0 0 417.550 4.497 20 5 HIBDRN Cc1cc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cnn1 ZINC000469376466 883504548 /nfs/dbraw/zinc/50/45/48/883504548.db2.gz DONHWOPNCQPRBF-UHFFFAOYSA-N 0 0 416.796 4.208 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H](Oc2ccncc2)C1 ZINC000469437273 883624842 /nfs/dbraw/zinc/62/48/42/883624842.db2.gz WPGGFRBRLFEMDD-IBGZPJMESA-N 0 0 405.410 4.076 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccc4c(c3)CC(C)(C)O4)cc2)c(C)c1[N+](=O)[O-] ZINC000469438209 883627336 /nfs/dbraw/zinc/62/73/36/883627336.db2.gz IGHYQCLXXPFCME-UHFFFAOYSA-N 0 0 420.469 4.422 20 5 HIBDRN C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000469438411 883627606 /nfs/dbraw/zinc/62/76/06/883627606.db2.gz KGMOMMPNEHNTNP-ZDUSSCGKSA-N 0 0 404.463 4.492 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000503637362 912740197 /nfs/dbraw/zinc/74/01/97/912740197.db2.gz MKUXOWDNPJAKCL-CQSZACIVSA-N 0 0 411.487 4.169 20 5 HIBDRN CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 ZINC000469488416 883724987 /nfs/dbraw/zinc/72/49/87/883724987.db2.gz SFILDPOFPZHMJI-HOCLYGCPSA-N 0 0 417.535 4.209 20 5 HIBDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000469499610 883743352 /nfs/dbraw/zinc/74/33/52/883743352.db2.gz MJGQSTUCTLISRI-HZPDHXFCSA-N 0 0 403.479 4.004 20 5 HIBDRN O=C(CC1(O)CCCC1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000469542727 883807935 /nfs/dbraw/zinc/80/79/35/883807935.db2.gz QPUDVWZTVZRCOL-UHFFFAOYSA-N 0 0 422.840 4.491 20 5 HIBDRN CN(C)[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl ZINC000469675312 883864225 /nfs/dbraw/zinc/86/42/25/883864225.db2.gz ZCLDHAJKXZHJSS-IBGZPJMESA-N 0 0 407.873 4.129 20 5 HIBDRN COc1cc(CN[C@@H](C)c2ccc(Br)cc2OC)c([N+](=O)[O-])cc1F ZINC000469756548 883922127 /nfs/dbraw/zinc/92/21/27/883922127.db2.gz MPBQTPBJOSHLDR-JTQLQIEISA-N 0 0 413.243 4.364 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)CSc2ccccc2[N+](=O)[O-])s1 ZINC000469881442 884071810 /nfs/dbraw/zinc/07/18/10/884071810.db2.gz OFXWNNUIHZKDOV-UHFFFAOYSA-N 0 0 404.448 4.292 20 5 HIBDRN CCCCOc1cc(OC)ccc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000469928323 884121824 /nfs/dbraw/zinc/12/18/24/884121824.db2.gz PKHBQTUQMIFLJR-UHFFFAOYSA-N 0 0 416.430 4.196 20 5 HIBDRN Cc1ccc(C(F)(F)F)cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000469989350 884204341 /nfs/dbraw/zinc/20/43/41/884204341.db2.gz CTASWVVDAKAWIN-UHFFFAOYSA-N 0 0 423.347 4.249 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2ccncc2)cc1 ZINC000470015691 884232728 /nfs/dbraw/zinc/23/27/28/884232728.db2.gz BVDXOQBVKOYYAF-MRXNPFEDSA-N 0 0 413.437 4.334 20 5 HIBDRN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(OC(F)(F)F)c1 ZINC000470022637 884240141 /nfs/dbraw/zinc/24/01/41/884240141.db2.gz OWRDCAPDGDJRHV-UHFFFAOYSA-N 0 0 408.336 4.175 20 5 HIBDRN Cc1cccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1Br ZINC000470026323 884248176 /nfs/dbraw/zinc/24/81/76/884248176.db2.gz DVJYJXCQOPOJAW-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000470127178 884389930 /nfs/dbraw/zinc/38/99/30/884389930.db2.gz XMHFQXIXYFNDFD-SFHVURJKSA-N 0 0 415.812 4.431 20 5 HIBDRN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000503774273 912821217 /nfs/dbraw/zinc/82/12/17/912821217.db2.gz DNMALJONLJHTHZ-UHFFFAOYSA-N 0 0 406.851 4.411 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000470152259 884421356 /nfs/dbraw/zinc/42/13/56/884421356.db2.gz QBZVDBMZVMPXDF-INIZCTEOSA-N 0 0 424.226 4.102 20 5 HIBDRN COc1ccc(Oc2cc(CNC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)ccn2)cc1 ZINC000470152920 884423363 /nfs/dbraw/zinc/42/33/63/884423363.db2.gz PFSIEFYKSZSBCD-UHFFFAOYSA-N 0 0 412.377 4.252 20 5 HIBDRN O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470153373 884423954 /nfs/dbraw/zinc/42/39/54/884423954.db2.gz SLMUGMFPYIZLPQ-UHFFFAOYSA-N 0 0 401.316 4.135 20 5 HIBDRN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000470154211 884425840 /nfs/dbraw/zinc/42/58/40/884425840.db2.gz ZNGWBGUQRLUGEI-SXGZJXTBSA-N 0 0 415.877 4.126 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)cnn2Cc2ccccc2F)c1 ZINC000470187916 884481664 /nfs/dbraw/zinc/48/16/64/884481664.db2.gz KULBEYMRQGUTSH-UHFFFAOYSA-N 0 0 400.435 4.261 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)cnn1Cc1ccccc1F ZINC000470191188 884491663 /nfs/dbraw/zinc/49/16/63/884491663.db2.gz UELSDIYOQKOZJP-KRWDZBQOSA-N 0 0 410.449 4.495 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC[C@@H]1c1ccccc1 ZINC000470202352 884515608 /nfs/dbraw/zinc/51/56/08/884515608.db2.gz XPIIFAVMMVACTN-UTKZUKDTSA-N 0 0 419.485 4.140 20 5 HIBDRN CC[C@H]1CN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC[C@H]1c1ccccc1 ZINC000470202351 884516022 /nfs/dbraw/zinc/51/60/22/884516022.db2.gz XPIIFAVMMVACTN-LAUBAEHRSA-N 0 0 419.485 4.140 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000503890131 912853317 /nfs/dbraw/zinc/85/33/17/912853317.db2.gz IFMXDMURXXBFSU-HXUWFJFHSA-N 0 0 413.836 4.425 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000470371640 884767872 /nfs/dbraw/zinc/76/78/72/884767872.db2.gz FYZCYKCAYMNBKE-ZDUSSCGKSA-N 0 0 417.849 4.255 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000470421071 884824221 /nfs/dbraw/zinc/82/42/21/884824221.db2.gz ZZSZYLKGRZUSCQ-LLVKDONJSA-N 0 0 409.826 4.315 20 5 HIBDRN COc1cc(F)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC ZINC000470485005 884873701 /nfs/dbraw/zinc/87/37/01/884873701.db2.gz BWCXDRJUGRMGQF-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1C(=O)N1CCCCC1 ZINC000470502999 884892054 /nfs/dbraw/zinc/89/20/54/884892054.db2.gz NJFJTTMQOMHLNR-OAHLLOKOSA-N 0 0 413.449 4.411 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc4c3OCCC4=O)cc2[N+](=O)[O-])C1 ZINC000503953866 912881510 /nfs/dbraw/zinc/88/15/10/912881510.db2.gz WEDDPMYCIRGFCX-GJZGRUSLSA-N 0 0 423.469 4.295 20 5 HIBDRN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000470583078 884998745 /nfs/dbraw/zinc/99/87/45/884998745.db2.gz PPEBSICCIUJNTL-IBGZPJMESA-N 0 0 401.850 4.049 20 5 HIBDRN COc1cc(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000470591512 885010303 /nfs/dbraw/zinc/01/03/03/885010303.db2.gz RGESBYTVRLEMRU-UHFFFAOYSA-N 0 0 418.396 4.210 20 5 HIBDRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000470618724 885043258 /nfs/dbraw/zinc/04/32/58/885043258.db2.gz LLRANDGCZKLUDL-MWLCHTKSSA-N 0 0 413.318 4.215 20 5 HIBDRN COc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)ccc1[N+](=O)[O-] ZINC000470634620 885060202 /nfs/dbraw/zinc/06/02/02/885060202.db2.gz GVWFRTKKRJOAAV-UHFFFAOYSA-N 0 0 408.798 4.167 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000470652786 885074754 /nfs/dbraw/zinc/07/47/54/885074754.db2.gz FDWYRCVZYFWIEN-SECBINFHSA-N 0 0 405.423 4.209 20 5 HIBDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000470668287 885096234 /nfs/dbraw/zinc/09/62/34/885096234.db2.gz NFKYKSXJXHMZNZ-UHFFFAOYSA-N 0 0 424.198 4.105 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC1CCN(c2ccccc2)CC1 ZINC000470689868 885126057 /nfs/dbraw/zinc/12/60/57/885126057.db2.gz OHLMLPZGJRWHLJ-UHFFFAOYSA-N 0 0 417.893 4.050 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000470709681 885147211 /nfs/dbraw/zinc/14/72/11/885147211.db2.gz LYGTUJVKRKVQFO-INIZCTEOSA-N 0 0 421.428 4.378 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000470708094 885147241 /nfs/dbraw/zinc/14/72/41/885147241.db2.gz SDZOUSVICNTWEQ-XPGWFJOJSA-N 0 0 411.433 4.146 20 5 HIBDRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470713045 885152416 /nfs/dbraw/zinc/15/24/16/885152416.db2.gz HJIUWALUDREVLS-UHFFFAOYSA-N 0 0 421.331 4.019 20 5 HIBDRN C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@@H](c2ccsc2)O1 ZINC000470742783 885204160 /nfs/dbraw/zinc/20/41/60/885204160.db2.gz AUSNGHMBPJKJSY-AOMKIAJQSA-N 0 0 418.518 4.205 20 5 HIBDRN C[C@H](Cc1ccccc1Br)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470756432 885221779 /nfs/dbraw/zinc/22/17/79/885221779.db2.gz OTXUJRFFRUOSIQ-LLVKDONJSA-N 0 0 402.248 4.200 20 5 HIBDRN Cn1nc(C(F)F)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)sc21 ZINC000470808761 885297355 /nfs/dbraw/zinc/29/73/55/885297355.db2.gz UACRPMAGTNKUPS-UHFFFAOYSA-N 0 0 418.328 4.334 20 5 HIBDRN COc1ccccc1-n1c(=O)c2ccccc2nc1Sc1cc(C)c([N+](=O)[O-])cn1 ZINC000470873874 885362045 /nfs/dbraw/zinc/36/20/45/885362045.db2.gz QKDKYNIZGIUWMU-UHFFFAOYSA-N 0 0 420.450 4.157 20 5 HIBDRN Cc1cc(=O)c(C(=O)N2CCCC3(CCCCC3)CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000470884071 885377519 /nfs/dbraw/zinc/37/75/19/885377519.db2.gz UQMLENSSZXIHKW-UHFFFAOYSA-N 0 0 424.501 4.026 20 5 HIBDRN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470886925 885381688 /nfs/dbraw/zinc/38/16/88/885381688.db2.gz YXNACYCSOVQPNC-MRXNPFEDSA-N 0 0 408.458 4.077 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C(=O)OC(C)C)ccc1Cl ZINC000470903245 885406903 /nfs/dbraw/zinc/40/69/03/885406903.db2.gz FWIKPCLPEMJQPG-UHFFFAOYSA-N 0 0 406.822 4.464 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000471000580 885500761 /nfs/dbraw/zinc/50/07/61/885500761.db2.gz HQGZBEDWQKULPW-LBPRGKRZSA-N 0 0 404.875 4.142 20 5 HIBDRN COC(=O)c1nc([C@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2OC(C)C)sc1C ZINC000471004261 885505368 /nfs/dbraw/zinc/50/53/68/885505368.db2.gz HLVAJEGLTRGXHS-MRXNPFEDSA-N 0 0 419.503 4.271 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000471043074 885554266 /nfs/dbraw/zinc/55/42/66/885554266.db2.gz YJPMNPTVFRDQPQ-UHFFFAOYSA-N 0 0 404.850 4.331 20 5 HIBDRN COCCN(C(=O)Cc1ccsc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000471074928 885595347 /nfs/dbraw/zinc/59/53/47/885595347.db2.gz NFNFJCZMWXAFRC-UHFFFAOYSA-N 0 0 417.512 4.310 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000471096212 885626550 /nfs/dbraw/zinc/62/65/50/885626550.db2.gz SOZYXMSYLROSAD-LBPRGKRZSA-N 0 0 412.311 4.008 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000471147630 885693694 /nfs/dbraw/zinc/69/36/94/885693694.db2.gz MDSKVYUZSDPLQQ-CYBMUJFWSA-N 0 0 423.391 4.021 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccnc(Oc2ccccc2F)c1 ZINC000471157164 885709121 /nfs/dbraw/zinc/70/91/21/885709121.db2.gz OMINEFZHMACMOU-UHFFFAOYSA-N 0 0 411.389 4.250 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CCc1ccccc1)c1ccc(O)cc1 ZINC000471179300 885745266 /nfs/dbraw/zinc/74/52/66/885745266.db2.gz WRSWHUCQURAEOX-UHFFFAOYSA-N 0 0 405.454 4.297 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(C)=O)c(OC)c1 ZINC000504072455 912976796 /nfs/dbraw/zinc/97/67/96/912976796.db2.gz PSTKMUMTEOATKT-UHFFFAOYSA-N 0 0 403.460 4.316 20 5 HIBDRN O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000471292027 885876990 /nfs/dbraw/zinc/87/69/90/885876990.db2.gz LDXRJQDOGLSVOX-UHFFFAOYSA-N 0 0 404.806 4.307 20 5 HIBDRN COc1ccc([C@@H]2CCCN2C(=O)COc2c(Cl)cccc2[N+](=O)[O-])c(OC)c1 ZINC000471293065 885878948 /nfs/dbraw/zinc/87/89/48/885878948.db2.gz PIRPTEIRVSLCSO-INIZCTEOSA-N 0 0 420.849 4.008 20 5 HIBDRN O=C(COc1c(Cl)cccc1[N+](=O)[O-])NCc1ccc(F)cc1C(F)(F)F ZINC000471301418 885890127 /nfs/dbraw/zinc/89/01/27/885890127.db2.gz PTIAPVDIAXLUDI-UHFFFAOYSA-N 0 0 406.719 4.101 20 5 HIBDRN COC(=O)c1nc([C@@H]2CCCN2C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])sc1C ZINC000471332911 885932805 /nfs/dbraw/zinc/93/28/05/885932805.db2.gz RTEZMRLQPFTBLO-LBPRGKRZSA-N 0 0 423.878 4.085 20 5 HIBDRN O=C(C[C@H]1CCCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000471339955 885946425 /nfs/dbraw/zinc/94/64/25/885946425.db2.gz HQOATMSAGSFROU-GOSISDBHSA-N 0 0 422.441 4.031 20 5 HIBDRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000471345246 885955641 /nfs/dbraw/zinc/95/56/41/885955641.db2.gz IWOXOHDWOVVOFL-UHFFFAOYSA-N 0 0 404.444 4.159 20 5 HIBDRN O=C(c1ccc(N2CCCCC2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000471418381 886073058 /nfs/dbraw/zinc/07/30/58/886073058.db2.gz JDOLAPWTVHMANV-UHFFFAOYSA-N 0 0 409.486 4.269 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000504092813 913004362 /nfs/dbraw/zinc/00/43/62/913004362.db2.gz ISCKIVMTSKHCAP-UHFFFAOYSA-N 0 0 401.423 4.069 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCCC[C@@H]3c3cccn3C)cc2)c(C)c1[N+](=O)[O-] ZINC000471439502 886101077 /nfs/dbraw/zinc/10/10/77/886101077.db2.gz IEFUYVSIVCJLMH-OAQYLSRUSA-N 0 0 421.501 4.162 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H](COc2ccccc2)C1 ZINC000504103622 913012589 /nfs/dbraw/zinc/01/25/89/913012589.db2.gz LACAXQBFCTVOAV-CQSZACIVSA-N 0 0 424.375 4.077 20 5 HIBDRN COc1cccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2cc(F)ccc2OC)c1 ZINC000471447154 886116917 /nfs/dbraw/zinc/11/69/17/886116917.db2.gz PCJUSGZYVGBJBB-NRFANRHFSA-N 0 0 410.401 4.271 20 5 HIBDRN COc1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2OC)c([N+](=O)[O-])cc1OC ZINC000471453753 886129998 /nfs/dbraw/zinc/12/99/98/886129998.db2.gz UZJCGRFKHHNRGP-INIZCTEOSA-N 0 0 402.447 4.138 20 5 HIBDRN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000471455676 886131685 /nfs/dbraw/zinc/13/16/85/886131685.db2.gz RVPHTVMIJYUUFQ-RXVVDRJESA-N 0 0 407.514 4.291 20 5 HIBDRN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000471457603 886133611 /nfs/dbraw/zinc/13/36/11/886133611.db2.gz FRKHIZDIGBTGQM-QFBILLFUSA-N 0 0 404.470 4.089 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1SC ZINC000471466663 886154498 /nfs/dbraw/zinc/15/44/98/886154498.db2.gz XMVQNUVWQHXPQA-ZBFHGGJFSA-N 0 0 400.500 4.419 20 5 HIBDRN C/C=C\c1ccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])c3ncccc23)c(OC)c1 ZINC000471469959 886160377 /nfs/dbraw/zinc/16/03/77/886160377.db2.gz FQUIAJLLFXNSOJ-IMMZDGJCSA-N 0 0 410.426 4.003 20 5 HIBDRN O=[N+]([O-])c1ccc(OC[C@@H](O)COc2ccc(Cl)cc2Cl)c2cccnc21 ZINC000471477265 886171852 /nfs/dbraw/zinc/17/18/52/886171852.db2.gz VBOLSWPPJRDTKD-GFCCVEGCSA-N 0 0 409.225 4.269 20 5 HIBDRN Cc1sc2[nH]c(Cn3ccc(C)c([N+](=O)[O-])c3=O)nc(=O)c2c1-c1ccc(C)cc1 ZINC000471515830 886217476 /nfs/dbraw/zinc/21/74/76/886217476.db2.gz MMSZVHOZRXYOJA-UHFFFAOYSA-N 0 0 422.466 4.107 20 5 HIBDRN O=C(Nc1c[nH]nc1[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1)C1CCCC1 ZINC000471528323 886231910 /nfs/dbraw/zinc/23/19/10/886231910.db2.gz SLOXQZPBEQEMAQ-CQSZACIVSA-N 0 0 417.897 4.484 20 5 HIBDRN Cc1nc(NCc2ccccc2-c2ccc(Cn3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000471638537 886355007 /nfs/dbraw/zinc/35/50/07/886355007.db2.gz SQELICJNYXFXRT-UHFFFAOYSA-N 0 0 400.442 4.217 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000471686776 886395310 /nfs/dbraw/zinc/39/53/10/886395310.db2.gz VAHQSZRGNHKDSB-OAQYLSRUSA-N 0 0 418.449 4.225 20 5 HIBDRN CO[C@@H]1CC[C@H](NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000471695678 886403234 /nfs/dbraw/zinc/40/32/34/886403234.db2.gz ZHRNXHWFRPHXFQ-JKSUJKDBSA-N 0 0 403.866 4.158 20 5 HIBDRN CC(C)n1nc2c(c1NC(=O)c1ccc(N3CCC(C)CC3)c([N+](=O)[O-])c1)CCC2 ZINC000471697852 886406253 /nfs/dbraw/zinc/40/62/53/886406253.db2.gz MSVOMYSPACTEOS-UHFFFAOYSA-N 0 0 411.506 4.350 20 5 HIBDRN O=C(c1cc2sccc2s1)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000471706262 886414637 /nfs/dbraw/zinc/41/46/37/886414637.db2.gz OEYTZMJLJPPJBU-UHFFFAOYSA-N 0 0 424.507 4.382 20 5 HIBDRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000471872824 886650651 /nfs/dbraw/zinc/65/06/51/886650651.db2.gz XCFGWLIIRYCHDK-GFCCVEGCSA-N 0 0 401.369 4.020 20 5 HIBDRN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000471898272 886680826 /nfs/dbraw/zinc/68/08/26/886680826.db2.gz VETBLXCHOGEWET-MRXNPFEDSA-N 0 0 405.454 4.349 20 5 HIBDRN CCc1ccc(C(=O)N(CC(=O)N2CCCCC2)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000471928916 886720722 /nfs/dbraw/zinc/72/07/22/886720722.db2.gz SRBXTBGUWHCXHL-UHFFFAOYSA-N 0 0 409.486 4.125 20 5 HIBDRN CCc1ccc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1[N+](=O)[O-] ZINC000471941922 886740986 /nfs/dbraw/zinc/74/09/86/886740986.db2.gz RSYIPDMDFSSBQA-UHFFFAOYSA-N 0 0 420.387 4.310 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1[N+](=O)[O-] ZINC000471944341 886744881 /nfs/dbraw/zinc/74/48/81/886744881.db2.gz XOXQYOIYEVNIAC-UHFFFAOYSA-N 0 0 408.414 4.249 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000471982699 886811175 /nfs/dbraw/zinc/81/11/75/886811175.db2.gz CRKMQQDSUZAGOI-STQMWFEESA-N 0 0 413.409 4.214 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCSC[C@H]1c1nccs1 ZINC000472109559 886897336 /nfs/dbraw/zinc/89/73/36/886897336.db2.gz AQAMBWLLSBXFJH-AWEZNQCLSA-N 0 0 418.525 4.105 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000472189851 886990084 /nfs/dbraw/zinc/99/00/84/886990084.db2.gz KLPGMIAXLYTFGB-UHFFFAOYSA-N 0 0 406.373 4.442 20 5 HIBDRN C[C@@H](SCC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000472203228 887003154 /nfs/dbraw/zinc/00/31/54/887003154.db2.gz CKOIKXXYXXERFP-LLVKDONJSA-N 0 0 423.516 4.120 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000472228934 887036255 /nfs/dbraw/zinc/03/62/55/887036255.db2.gz IXBMFAMLXLDATE-INIZCTEOSA-N 0 0 410.499 4.194 20 5 HIBDRN CC(C)(C)c1cnc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)o1 ZINC000472373416 887213060 /nfs/dbraw/zinc/21/30/60/887213060.db2.gz JHNBIGNLWVIJMQ-UHFFFAOYSA-N 0 0 408.458 4.422 20 5 HIBDRN Cc1ccc(OCc2nc(CC(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)cs2)cc1 ZINC000504268484 913129394 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4.319 20 5 HIBDRN CCCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC000472536135 887412255 /nfs/dbraw/zinc/41/22/55/887412255.db2.gz BQMVVWIAPUTWMX-ZDUSSCGKSA-N 0 0 413.405 4.418 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1F ZINC000472545579 887426022 /nfs/dbraw/zinc/42/60/22/887426022.db2.gz VVXDVMOUWYFTPQ-JTQLQIEISA-N 0 0 404.785 4.237 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472560926 887446911 /nfs/dbraw/zinc/44/69/11/887446911.db2.gz DJJMVXTYEQQRIQ-VIFPVBQESA-N 0 0 414.220 4.199 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000472593476 887469111 /nfs/dbraw/zinc/46/91/11/887469111.db2.gz XCDPVRARVIGMSD-LJQANCHMSA-N 0 0 404.488 4.051 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C)CC3(C)C)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000472634508 887498793 /nfs/dbraw/zinc/49/87/93/887498793.db2.gz CDZCMQZOVQWZKC-LSDHHAIUSA-N 0 0 401.507 4.116 20 5 HIBDRN Cc1ccc(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(Oc2ccccc2)c1 ZINC000472641233 887506092 /nfs/dbraw/zinc/50/60/92/887506092.db2.gz SIVHXOPWPJJUGW-UHFFFAOYSA-N 0 0 423.400 4.090 20 5 HIBDRN CCOc1ccc(C(=O)CCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000472645844 887509358 /nfs/dbraw/zinc/50/93/58/887509358.db2.gz ZZEXUPAGFULITN-UHFFFAOYSA-N 0 0 408.813 4.065 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000472691001 887545110 /nfs/dbraw/zinc/54/51/10/887545110.db2.gz YKKHTASFSVHMTI-XITLMJRVSA-N 0 0 417.462 4.219 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000504318241 913162773 /nfs/dbraw/zinc/16/27/73/913162773.db2.gz KYJXKJSYSPUYNR-CYBMUJFWSA-N 0 0 408.433 4.057 20 5 HIBDRN O=C(NCC1(CCOCc2ccccc2)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000472828824 887676284 /nfs/dbraw/zinc/67/62/84/887676284.db2.gz QTMGSOFGKQDKHO-UHFFFAOYSA-N 0 0 409.486 4.050 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000472911269 887757325 /nfs/dbraw/zinc/75/73/25/887757325.db2.gz CCSWESDSZGBTHR-SXLOBPIMSA-N 0 0 412.442 4.083 20 5 HIBDRN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000472948786 887797320 /nfs/dbraw/zinc/79/73/20/887797320.db2.gz HEOYTSSOJAKSCZ-AWEZNQCLSA-N 0 0 417.425 4.215 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000473293780 888046988 /nfs/dbraw/zinc/04/69/88/888046988.db2.gz RCOCXSJNCKTHJS-KUHUBIRLSA-N 0 0 408.462 4.013 20 5 HIBDRN O=C(c1cc2sccc2s1)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473516699 888248792 /nfs/dbraw/zinc/24/87/92/888248792.db2.gz CXRVRYMYFHTKPB-UHFFFAOYSA-N 0 0 424.507 4.382 20 5 HIBDRN CC1CCN(c2nnc(Sc3nc4ccccc4cc3[N+](=O)[O-])n2C2CC2)CC1 ZINC000473517819 888250168 /nfs/dbraw/zinc/25/01/68/888250168.db2.gz BLWIOUDTCSDZPX-UHFFFAOYSA-N 0 0 410.503 4.457 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000473520188 888254064 /nfs/dbraw/zinc/25/40/64/888254064.db2.gz ILGUIECZXZGPFQ-HNNXBMFYSA-N 0 0 423.448 4.320 20 5 HIBDRN COCCC[C@@H](Cc1ccccc1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000473521428 888257003 /nfs/dbraw/zinc/25/70/03/888257003.db2.gz JYLIVRLMDLDPIE-FQEVSTJZSA-N 0 0 414.505 4.449 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCC3(CCO)CCCC3)cc2[N+](=O)[O-])n1 ZINC000473567620 888308785 /nfs/dbraw/zinc/30/87/85/888308785.db2.gz DDEVGFVNUNBVKH-UHFFFAOYSA-N 0 0 421.544 4.184 20 5 HIBDRN Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2c1 ZINC000473589107 888333326 /nfs/dbraw/zinc/33/33/26/888333326.db2.gz RTPYGRPGRMWIMI-MRXNPFEDSA-N 0 0 417.469 4.050 20 5 HIBDRN COc1ccc(Oc2cc(CNC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)ccn2)cc1 ZINC000473790644 888604591 /nfs/dbraw/zinc/60/45/91/888604591.db2.gz VTNCMNSZUBHOID-UHFFFAOYSA-N 0 0 408.414 4.421 20 5 HIBDRN O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000473844037 888687011 /nfs/dbraw/zinc/68/70/11/888687011.db2.gz AHKATAZNHSBXMV-LJQANCHMSA-N 0 0 407.430 4.034 20 5 HIBDRN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000473862530 888716200 /nfs/dbraw/zinc/71/62/00/888716200.db2.gz FKYVZHRKGIKARX-UHFFFAOYSA-N 0 0 424.284 4.069 20 5 HIBDRN C[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cc2cccc(F)c2o1 ZINC000473865009 888720376 /nfs/dbraw/zinc/72/03/76/888720376.db2.gz PLXDEHHTKFFQJO-CQSZACIVSA-N 0 0 412.421 4.073 20 5 HIBDRN COC(=O)COc1ccc(CNc2ccccc2N(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000473986715 888847572 /nfs/dbraw/zinc/84/75/72/888847572.db2.gz AQCCCYAKACADLM-UHFFFAOYSA-N 0 0 413.474 4.138 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000474146858 888973889 /nfs/dbraw/zinc/97/38/89/888973889.db2.gz YHPVZKZRXCLLJH-FQEVSTJZSA-N 0 0 415.490 4.304 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@@]2(CCCOC2)C1 ZINC000474165852 889004935 /nfs/dbraw/zinc/00/49/35/889004935.db2.gz XTDRFQGIJWIZBT-GOSISDBHSA-N 0 0 406.280 4.303 20 5 HIBDRN CSCc1cccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000474323333 889191232 /nfs/dbraw/zinc/19/12/32/889191232.db2.gz VQJXERQNSHUYBR-UHFFFAOYSA-N 0 0 414.405 4.329 20 5 HIBDRN O=C(NCCOc1ncc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000474364244 889243051 /nfs/dbraw/zinc/24/30/51/889243051.db2.gz VCEMDFHCTBNFGH-UHFFFAOYSA-N 0 0 405.625 4.151 20 5 HIBDRN Cc1cc(=O)n(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000474409563 889275799 /nfs/dbraw/zinc/27/57/99/889275799.db2.gz MTEUAVHAHOVEEE-UHFFFAOYSA-N 0 0 408.845 4.165 20 5 HIBDRN COc1c(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000474428987 889294883 /nfs/dbraw/zinc/29/48/83/889294883.db2.gz VSHBFSJOIZWVMG-UHFFFAOYSA-N 0 0 406.398 4.500 20 5 HIBDRN CC[C@H](NC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000474485983 889344986 /nfs/dbraw/zinc/34/49/86/889344986.db2.gz AKEWNNVICWFJGR-PCCBWWKXSA-N 0 0 405.458 4.087 20 5 HIBDRN O=C(NCc1nc(COc2ccccc2)n[nH]1)c1cc2ccccc2c2cccnc12 ZINC000474586431 889455878 /nfs/dbraw/zinc/45/58/78/889455878.db2.gz OTRUCEXDXQHSGH-UHFFFAOYSA-N 0 0 409.449 4.015 20 5 HIBDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000474662665 889527384 /nfs/dbraw/zinc/52/73/84/889527384.db2.gz WWTBJSUYXOKFCQ-DNMZCBJRSA-N 0 0 414.405 4.184 20 5 HIBDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000474662666 889527717 /nfs/dbraw/zinc/52/77/17/889527717.db2.gz WWTBJSUYXOKFCQ-GFRLJBLXSA-N 0 0 414.405 4.184 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000504598629 913356805 /nfs/dbraw/zinc/35/68/05/913356805.db2.gz OSRMAEZFOJXASC-UHFFFAOYSA-N 0 0 412.446 4.264 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000474687866 889550878 /nfs/dbraw/zinc/55/08/78/889550878.db2.gz HBVOPDZWAQMFPT-VXGBXAGGSA-N 0 0 410.293 4.083 20 5 HIBDRN CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000474689686 889550965 /nfs/dbraw/zinc/55/09/65/889550965.db2.gz HQXPKELKAROHHJ-UHFFFAOYSA-N 0 0 411.227 4.167 20 5 HIBDRN COC(=O)c1cc(C(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000474727138 889582350 /nfs/dbraw/zinc/58/23/50/889582350.db2.gz JKPUTXIXCBNUPL-STQMWFEESA-N 0 0 404.850 4.299 20 5 HIBDRN C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(-c2cccnc2)cc1 ZINC000474751764 889608646 /nfs/dbraw/zinc/60/86/46/889608646.db2.gz OVHSNIDXZFSJAY-INIZCTEOSA-N 0 0 400.438 4.489 20 5 HIBDRN COc1cc(OCC(=O)NC(C)(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000504612621 913367548 /nfs/dbraw/zinc/36/75/48/913367548.db2.gz HVYINKBLFIPPCQ-UHFFFAOYSA-N 0 0 406.438 4.062 20 5 HIBDRN Cc1csc(NC2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000474822684 889676327 /nfs/dbraw/zinc/67/63/27/889676327.db2.gz ZPHNAYRACJIHRZ-UHFFFAOYSA-N 0 0 414.409 4.095 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)ccc1OC1CCCC1 ZINC000474909651 889769695 /nfs/dbraw/zinc/76/96/95/889769695.db2.gz QHBORTIBQCRIII-AWEZNQCLSA-N 0 0 414.458 4.424 20 5 HIBDRN O=C(NCCOC(F)(F)F)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000474936389 889794665 /nfs/dbraw/zinc/79/46/65/889794665.db2.gz YUBJSMWOLQWRSV-UHFFFAOYSA-N 0 0 417.771 4.127 20 5 HIBDRN COc1c(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)cccc1[N+](=O)[O-] ZINC000474950851 889806583 /nfs/dbraw/zinc/80/65/83/889806583.db2.gz WSRCHQQTHYRTHW-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN COc1c(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000474959859 889815484 /nfs/dbraw/zinc/81/54/84/889815484.db2.gz LFLCHOYOTQJOIX-UHFFFAOYSA-N 0 0 423.400 4.176 20 5 HIBDRN CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000475019586 889871287 /nfs/dbraw/zinc/87/12/87/889871287.db2.gz PJQJVGDWTFKQCO-UHFFFAOYSA-N 0 0 415.833 4.404 20 5 HIBDRN Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1[N+](=O)[O-] ZINC000475062821 889908340 /nfs/dbraw/zinc/90/83/40/889908340.db2.gz DNTWNQDOLHKBLD-HNNXBMFYSA-N 0 0 422.268 4.135 20 5 HIBDRN CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475188247 890059179 /nfs/dbraw/zinc/05/91/79/890059179.db2.gz AKOFDEORFFPQJW-UHFFFAOYSA-N 0 0 419.363 4.463 20 5 HIBDRN O=C(NCc1cn2cc(Cl)ccc2n1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475194391 890063145 /nfs/dbraw/zinc/06/31/45/890063145.db2.gz FAVFKSYSCYQQEM-UHFFFAOYSA-N 0 0 413.743 4.236 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000475196463 890066272 /nfs/dbraw/zinc/06/62/72/890066272.db2.gz JYNCSLWQCJOPQK-OAHLLOKOSA-N 0 0 409.364 4.089 20 5 HIBDRN COc1cccc(N2CC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)c1 ZINC000475202352 890071042 /nfs/dbraw/zinc/07/10/42/890071042.db2.gz CTYVDHOATIEAFH-CYBMUJFWSA-N 0 0 424.379 4.023 20 5 HIBDRN CC(C)OC(=O)C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000475211897 890081425 /nfs/dbraw/zinc/08/14/25/890081425.db2.gz XAWGZIKNRALLAW-GFCCVEGCSA-N 0 0 417.384 4.199 20 5 HIBDRN O=C(NCc1ccc(N2CCCCC2)nc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475221849 890090608 /nfs/dbraw/zinc/09/06/08/890090608.db2.gz XWEYLWMGUAAFGM-UHFFFAOYSA-N 0 0 423.395 4.321 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000475232577 890103392 /nfs/dbraw/zinc/10/33/92/890103392.db2.gz JSLJYKFSOUYBJY-IBGZPJMESA-N 0 0 417.425 4.289 20 5 HIBDRN COc1c(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cccc1[N+](=O)[O-] ZINC000475253912 890142457 /nfs/dbraw/zinc/14/24/57/890142457.db2.gz OGDKMBPNKIWOSZ-OAHLLOKOSA-N 0 0 411.458 4.179 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ncnn3-c3ccccc3)o2)c(Cl)c1 ZINC000475284884 890182656 /nfs/dbraw/zinc/18/26/56/890182656.db2.gz KSNKUCRUBKVDLO-UHFFFAOYSA-N 0 0 409.833 4.379 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c2ccc(Br)cc2n1 ZINC000475298732 890206999 /nfs/dbraw/zinc/20/69/99/890206999.db2.gz GGWCBTGVNSQTSO-UHFFFAOYSA-N 0 0 401.220 4.170 20 5 HIBDRN COC(=O)c1nc([C@@H]2CCCN2C/C(C)=C\c2cccc([N+](=O)[O-])c2)sc1C ZINC000475331386 890250958 /nfs/dbraw/zinc/25/09/58/890250958.db2.gz LFPANCBCBWHLFF-QFSNBGPKSA-N 0 0 401.488 4.387 20 5 HIBDRN O=C(NCCOc1ncc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000475405048 890333177 /nfs/dbraw/zinc/33/31/77/890333177.db2.gz QQIVIYQHUTXTRX-UHFFFAOYSA-N 0 0 424.162 4.124 20 5 HIBDRN COc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c(OCC(C)C)c1 ZINC000475474132 890381751 /nfs/dbraw/zinc/38/17/51/890381751.db2.gz ZTZIQJHKDQFFED-UHFFFAOYSA-N 0 0 416.430 4.052 20 5 HIBDRN Cc1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)nc1-c1c(F)cc(F)cc1F ZINC000504712966 913448341 /nfs/dbraw/zinc/44/83/41/913448341.db2.gz TVQQSLRROMQIFE-UHFFFAOYSA-N 0 0 423.372 4.462 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CCCN2C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC000475547035 890473072 /nfs/dbraw/zinc/47/30/72/890473072.db2.gz NBNKVXKDWFIPFV-IBGZPJMESA-N 0 0 423.469 4.263 20 5 HIBDRN Nc1c(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc(F)cc1[N+](=O)[O-] ZINC000475551438 890477023 /nfs/dbraw/zinc/47/70/23/890477023.db2.gz WUCXGIAKOVABPR-UHFFFAOYSA-N 0 0 411.355 4.355 20 5 HIBDRN COC(=O)COc1ccc(CN2CCC[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000475585582 890513442 /nfs/dbraw/zinc/51/34/42/890513442.db2.gz WBGJSGBEUDCDES-KRWDZBQOSA-N 0 0 404.850 4.137 20 5 HIBDRN C[C@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475630712 890570641 /nfs/dbraw/zinc/57/06/41/890570641.db2.gz IKTKQWVNALMKRJ-BTYIYWSLSA-N 0 0 418.877 4.420 20 5 HIBDRN CC1(C)CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475632911 890572694 /nfs/dbraw/zinc/57/26/94/890572694.db2.gz FEBHZGHUTDKOLO-JOCHJYFZSA-N 0 0 416.449 4.296 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccc(Cl)c(F)c1 ZINC000475648932 890592659 /nfs/dbraw/zinc/59/26/59/890592659.db2.gz WDMVVOIEZFLAGZ-MRXNPFEDSA-N 0 0 423.828 4.430 20 5 HIBDRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000475654470 890598905 /nfs/dbraw/zinc/59/89/05/890598905.db2.gz VNMZWOSRFZINNR-YPMHNXCESA-N 0 0 406.426 4.282 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000475853925 890788233 /nfs/dbraw/zinc/78/82/33/890788233.db2.gz XCSLBSBGKVDLMS-QGZVFWFLSA-N 0 0 423.238 4.019 20 5 HIBDRN COCc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 ZINC000475858680 890794901 /nfs/dbraw/zinc/79/49/01/890794901.db2.gz WVLLSRWKSIQNTG-UHFFFAOYSA-N 0 0 412.467 4.165 20 5 HIBDRN CCOC1CC(CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000475868452 890805772 /nfs/dbraw/zinc/80/57/72/890805772.db2.gz VSCZKISSDLKJOI-UHFFFAOYSA-N 0 0 414.458 4.331 20 5 HIBDRN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000475883063 890816707 /nfs/dbraw/zinc/81/67/07/890816707.db2.gz TZFBQFVPLGNRNG-GOSISDBHSA-N 0 0 411.483 4.048 20 5 HIBDRN CCOC1CC(CCNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000475889747 890823319 /nfs/dbraw/zinc/82/33/19/890823319.db2.gz XFZGSLLJFUOUPR-UHFFFAOYSA-N 0 0 421.544 4.446 20 5 HIBDRN CN(Cc1cc(Br)cs1)C(=O)Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000475922231 890848823 /nfs/dbraw/zinc/84/88/23/890848823.db2.gz SMCDQIJMVYENKO-UHFFFAOYSA-N 0 0 408.277 4.032 20 5 HIBDRN O=C(Cn1ccc2c1cccc2[N+](=O)[O-])NCc1cccc(COCc2ccco2)c1 ZINC000475926267 890852162 /nfs/dbraw/zinc/85/21/62/890852162.db2.gz MNZPNWVBLAASGE-UHFFFAOYSA-N 0 0 419.437 4.176 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000475928200 890853407 /nfs/dbraw/zinc/85/34/07/890853407.db2.gz HHMNSPZJJISCHF-LBPRGKRZSA-N 0 0 405.476 4.088 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000475937170 890862078 /nfs/dbraw/zinc/86/20/78/890862078.db2.gz FNBGCZXXUUOXQD-UHFFFAOYSA-N 0 0 423.469 4.250 20 5 HIBDRN Cc1onc(-c2ccccc2C)c1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000476069608 891000037 /nfs/dbraw/zinc/00/00/37/891000037.db2.gz CAJRWCJSJMMABT-UHFFFAOYSA-N 0 0 408.458 4.407 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000476106737 891027774 /nfs/dbraw/zinc/02/77/74/891027774.db2.gz QTDQOZVOTLKEAB-HNNXBMFYSA-N 0 0 422.268 4.135 20 5 HIBDRN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000504790055 913515065 /nfs/dbraw/zinc/51/50/65/913515065.db2.gz NAGONALJKKETIZ-CQSZACIVSA-N 0 0 419.478 4.090 20 5 HIBDRN C[C@](CO)(CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC000476125197 891047132 /nfs/dbraw/zinc/04/71/32/891047132.db2.gz ADCUYAAWSJCICM-HSZRJFAPSA-N 0 0 421.453 4.459 20 5 HIBDRN CCc1[nH]n(C)c2nnc(NC(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c1-2 ZINC000476125855 891048831 /nfs/dbraw/zinc/04/88/31/891048831.db2.gz AJDFGPQPMRPJSE-UHFFFAOYSA-N 0 0 421.417 4.203 20 5 HIBDRN COCc1cccc(CNC(=O)CNc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000476192035 891123193 /nfs/dbraw/zinc/12/31/93/891123193.db2.gz CFEGJYZCIIFVOA-UHFFFAOYSA-N 0 0 421.453 4.262 20 5 HIBDRN COCc1ccc(CNC(=O)CNc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000476206533 891136998 /nfs/dbraw/zinc/13/69/98/891136998.db2.gz RKGATIOHFRJKRH-UHFFFAOYSA-N 0 0 421.453 4.262 20 5 HIBDRN COc1ccc(C[C@H](C)CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000476209013 891138831 /nfs/dbraw/zinc/13/88/31/891138831.db2.gz UHBVXLHYOSVVBQ-HNNXBMFYSA-N 0 0 415.490 4.025 20 5 HIBDRN CCc1onc(-c2ccccc2)c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000476211237 891142199 /nfs/dbraw/zinc/14/21/99/891142199.db2.gz ZMFCZQWHYPVXJD-UHFFFAOYSA-N 0 0 421.453 4.496 20 5 HIBDRN COc1c(C(=O)Nc2cc(Br)cc(OC(C)C)c2)cccc1[N+](=O)[O-] ZINC000476227244 891152692 /nfs/dbraw/zinc/15/26/92/891152692.db2.gz HLZDGXWODBRXHC-UHFFFAOYSA-N 0 0 409.236 4.405 20 5 HIBDRN Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000476234093 891157572 /nfs/dbraw/zinc/15/75/72/891157572.db2.gz IHLWRPPTMHDNKJ-NSHDSACASA-N 0 0 417.263 4.113 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000476351487 891254706 /nfs/dbraw/zinc/25/47/06/891254706.db2.gz MOVGUGQMASYFGB-HNNXBMFYSA-N 0 0 407.373 4.404 20 5 HIBDRN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476355703 891260755 /nfs/dbraw/zinc/26/07/55/891260755.db2.gz QFEMERRNSNXBJM-UHFFFAOYSA-N 0 0 422.363 4.269 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000476364713 891272755 /nfs/dbraw/zinc/27/27/55/891272755.db2.gz MXFBODHRDAOREF-UHFFFAOYSA-N 0 0 420.347 4.069 20 5 HIBDRN COc1c(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cccc1[N+](=O)[O-] ZINC000476427888 891341456 /nfs/dbraw/zinc/34/14/56/891341456.db2.gz JNUMIFWVOVULFZ-SNVBAGLBSA-N 0 0 415.393 4.099 20 5 HIBDRN CC(C)(C)c1ccc(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)cc1[N+](=O)[O-] ZINC000504833792 913554555 /nfs/dbraw/zinc/55/45/55/913554555.db2.gz OZPYDKRUTJPXMT-UHFFFAOYSA-N 0 0 422.485 4.442 20 5 HIBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000476462791 891374737 /nfs/dbraw/zinc/37/47/37/891374737.db2.gz SOOFIXPGPUPUAD-UHFFFAOYSA-N 0 0 404.213 4.193 20 5 HIBDRN C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000476515964 891429887 /nfs/dbraw/zinc/42/98/87/891429887.db2.gz JRDIVXCXRGHTGI-QGZVFWFLSA-N 0 0 412.204 4.008 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1cc2cccc(F)c2o1 ZINC000476517315 891431955 /nfs/dbraw/zinc/43/19/55/891431955.db2.gz BPTCMLSLPOPXNE-LLVKDONJSA-N 0 0 404.419 4.056 20 5 HIBDRN COc1nn(C)cc1NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000476580516 891505277 /nfs/dbraw/zinc/50/52/77/891505277.db2.gz VBCQOZCCIZVVCH-UHFFFAOYSA-N 0 0 418.862 4.394 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)c([N+](=O)[O-])c1 ZINC000476591459 891523042 /nfs/dbraw/zinc/52/30/42/891523042.db2.gz ZSGMRSKJZAEKGJ-KRWDZBQOSA-N 0 0 403.504 4.023 20 5 HIBDRN Cc1nc(CN(C)C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)no1 ZINC000476630366 891566217 /nfs/dbraw/zinc/56/62/17/891566217.db2.gz RMTXRPDKTVLOCQ-UHFFFAOYSA-N 0 0 402.794 4.004 20 5 HIBDRN COc1c(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000476641350 891580128 /nfs/dbraw/zinc/58/01/28/891580128.db2.gz XJXZICIJCIVNNU-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN Cc1sc(NC(=O)c2ccc(-n3cncn3)cc2C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000476682997 891632962 /nfs/dbraw/zinc/63/29/62/891632962.db2.gz BURVEYCYRAYNKB-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000476695695 891651130 /nfs/dbraw/zinc/65/11/30/891651130.db2.gz CDFHZKWYKJQASY-OAHLLOKOSA-N 0 0 413.474 4.034 20 5 HIBDRN CC(C)Oc1cc(CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC000504857696 913585189 /nfs/dbraw/zinc/58/51/89/913585189.db2.gz MEWYCMUMXANVLC-OAHLLOKOSA-N 0 0 415.515 4.449 20 5 HIBDRN CC(C)Oc1cc(CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC000504857694 913586340 /nfs/dbraw/zinc/58/63/40/913586340.db2.gz MEWYCMUMXANVLC-HNNXBMFYSA-N 0 0 415.515 4.449 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000476807946 891793285 /nfs/dbraw/zinc/79/32/85/891793285.db2.gz RQQLKKZEXYQLOH-OWQGQXMQSA-N 0 0 413.474 4.191 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(CCc1cccc(F)c1)C1CC1 ZINC000476810415 891797884 /nfs/dbraw/zinc/79/78/84/891797884.db2.gz WABHVAJWVQCYMS-UHFFFAOYSA-N 0 0 421.266 4.273 20 5 HIBDRN COC(=O)c1cc(O[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)ccc1[N+](=O)[O-] ZINC000476831008 891812433 /nfs/dbraw/zinc/81/24/33/891812433.db2.gz RQONDXQJOFGRSI-SNVBAGLBSA-N 0 0 403.778 4.225 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000476993666 891919455 /nfs/dbraw/zinc/91/94/55/891919455.db2.gz IKACVQWVCFBAKO-SCLBCKFNSA-N 0 0 423.391 4.014 20 5 HIBDRN COC(=O)[C@@H](Cc1ccc(C)cc1)SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000477045436 891972632 /nfs/dbraw/zinc/97/26/32/891972632.db2.gz QODBUEMTPAAWII-QGZVFWFLSA-N 0 0 422.890 4.013 20 5 HIBDRN COc1cccc(OC(F)(F)F)c1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000477050980 891980944 /nfs/dbraw/zinc/98/09/44/891980944.db2.gz XNQIBUQLEPDCOX-UHFFFAOYSA-N 0 0 413.352 4.441 20 5 HIBDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477071094 892004308 /nfs/dbraw/zinc/00/43/08/892004308.db2.gz BHWUIKUUCGXKHT-HNNXBMFYSA-N 0 0 413.449 4.238 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000477095506 892029067 /nfs/dbraw/zinc/02/90/67/892029067.db2.gz SNSNYPLFYPSVBK-BLVKFPJESA-N 0 0 403.866 4.329 20 5 HIBDRN COC(=O)[C@H](Cc1ccc(C)cc1)S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000477096166 892030058 /nfs/dbraw/zinc/03/00/58/892030058.db2.gz XQGRWGVPJVRZON-BEFAXECRSA-N 0 0 416.499 4.056 20 5 HIBDRN COc1ccc(F)c2[nH]c(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc21 ZINC000477109490 892040375 /nfs/dbraw/zinc/04/03/75/892040375.db2.gz AGSIPUKICWLORT-UHFFFAOYSA-N 0 0 411.311 4.173 20 5 HIBDRN CN(C)S(=O)(=O)c1ccc(Nc2ccc(CCC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000477115217 892044651 /nfs/dbraw/zinc/04/46/51/892044651.db2.gz VFGMTVFFBLQMQZ-UHFFFAOYSA-N 0 0 417.409 4.084 20 5 HIBDRN CCc1noc(-c2ccc(C)c(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])c2)n1 ZINC000477134292 892061795 /nfs/dbraw/zinc/06/17/95/892061795.db2.gz GHBUELGBHQFRAY-UHFFFAOYSA-N 0 0 409.446 4.222 20 5 HIBDRN COc1ccc(CC2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000504895791 913627102 /nfs/dbraw/zinc/62/71/02/913627102.db2.gz AKQPHJUXLZOCCY-UHFFFAOYSA-N 0 0 409.486 4.273 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H](Cc1ccccn1)c1ccccc1 ZINC000477177309 892097678 /nfs/dbraw/zinc/09/76/78/892097678.db2.gz RGFDADZDRQJMCS-HXUWFJFHSA-N 0 0 410.861 4.426 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000477191101 892115197 /nfs/dbraw/zinc/11/51/97/892115197.db2.gz RKSTZZNXHAMXLV-JKSUJKDBSA-N 0 0 401.488 4.244 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccc(Br)o3)no2)ccc1N1CCCC1 ZINC000477196521 892120659 /nfs/dbraw/zinc/12/06/59/892120659.db2.gz YENBUGQYPWMXTL-UHFFFAOYSA-N 0 0 405.208 4.268 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC(F)F ZINC000477239727 892185796 /nfs/dbraw/zinc/18/57/96/892185796.db2.gz KAMYQHWPCGCJRC-QMMMGPOBSA-N 0 0 418.755 4.488 20 5 HIBDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000477280165 892233513 /nfs/dbraw/zinc/23/35/13/892233513.db2.gz JGBRXILKPWJRFB-CYBMUJFWSA-N 0 0 403.866 4.015 20 5 HIBDRN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccc(NC(=O)c2ccccc2)c1 ZINC000477311127 892274602 /nfs/dbraw/zinc/27/46/02/892274602.db2.gz NXFFUJJDIGNGCX-OAHLLOKOSA-N 0 0 421.428 4.406 20 5 HIBDRN CCOc1ccc([C@@H](C)N[C@@H](CCSC)c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000504912199 913646937 /nfs/dbraw/zinc/64/69/37/913646937.db2.gz RXFHHWSFSLBPKI-ZBFHGGJFSA-N 0 0 415.519 4.181 20 5 HIBDRN CCOCCOc1ccc(Cl)cc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000477325549 892292883 /nfs/dbraw/zinc/29/28/83/892292883.db2.gz UQVVUNIIAAVYEQ-CQSZACIVSA-N 0 0 421.881 4.411 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000477332192 892301351 /nfs/dbraw/zinc/30/13/51/892301351.db2.gz LFKDMZCHXXPQHL-UHFFFAOYSA-N 0 0 407.829 4.051 20 5 HIBDRN NC(=O)c1ccccc1Oc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000477352801 892319134 /nfs/dbraw/zinc/31/91/34/892319134.db2.gz RDJICLHHCIRMQF-UHFFFAOYSA-N 0 0 416.393 4.220 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3ccc(SCC)cc3)CC2)ccc1[N+](=O)[O-] ZINC000477371249 892334214 /nfs/dbraw/zinc/33/42/14/892334214.db2.gz DXXNMLGXCYABAA-UHFFFAOYSA-N 0 0 415.515 4.068 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3ccc(C(C)C)s3)CC2)ccc1[N+](=O)[O-] ZINC000477379726 892339732 /nfs/dbraw/zinc/33/97/32/892339732.db2.gz WQKNGNHNFBFMFD-UHFFFAOYSA-N 0 0 403.504 4.141 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000477399360 892353591 /nfs/dbraw/zinc/35/35/91/892353591.db2.gz JQMOFFWYCWWTSC-UHFFFAOYSA-N 0 0 410.499 4.209 20 5 HIBDRN COc1ccc(OC)c(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 ZINC000477415465 892368461 /nfs/dbraw/zinc/36/84/61/892368461.db2.gz HFOBKQRJHRVKEC-UHFFFAOYSA-N 0 0 421.453 4.154 20 5 HIBDRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000504920844 913656731 /nfs/dbraw/zinc/65/67/31/913656731.db2.gz TWYIQWPRRYESFS-KRWDZBQOSA-N 0 0 419.275 4.272 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccccc1CN1CCc2ccccc21 ZINC000477441182 892391782 /nfs/dbraw/zinc/39/17/82/892391782.db2.gz VPJRDDVKDBGTNU-UHFFFAOYSA-N 0 0 405.429 4.478 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2)cc1 ZINC000477481424 892472386 /nfs/dbraw/zinc/47/23/86/892472386.db2.gz DVAKJEFZCVTJOU-UHFFFAOYSA-N 0 0 423.400 4.176 20 5 HIBDRN Cc1ccc(Oc2ccccc2NC(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cc1 ZINC000477553884 892599907 /nfs/dbraw/zinc/59/99/07/892599907.db2.gz RPVHOHDXXVHDNC-UHFFFAOYSA-N 0 0 413.817 4.149 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(-c3cccnc3)ccc2C)cc([N+](=O)[O-])c1 ZINC000477560530 892612395 /nfs/dbraw/zinc/61/23/95/892612395.db2.gz PYCTUCHZXYIMLD-UHFFFAOYSA-N 0 0 405.410 4.394 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000477612680 892705426 /nfs/dbraw/zinc/70/54/26/892705426.db2.gz LRAWHNPPQLPHNJ-UHFFFAOYSA-N 0 0 409.780 4.426 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000477696305 892814578 /nfs/dbraw/zinc/81/45/78/892814578.db2.gz ZZKXKNSMIMZZAH-OAQYLSRUSA-N 0 0 410.514 4.068 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000477696303 892814851 /nfs/dbraw/zinc/81/48/51/892814851.db2.gz ZZKXKNSMIMZZAH-NRFANRHFSA-N 0 0 410.514 4.068 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@H](c3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000504965546 913703140 /nfs/dbraw/zinc/70/31/40/913703140.db2.gz NVVULLNYKLPBRC-KRWDZBQOSA-N 0 0 400.500 4.161 20 5 HIBDRN COc1ccc(N(CCC(C)C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1 ZINC000477892174 892956317 /nfs/dbraw/zinc/95/63/17/892956317.db2.gz LMODTUDLRDJSNR-UHFFFAOYSA-N 0 0 402.447 4.314 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)c1 ZINC000477903427 892974352 /nfs/dbraw/zinc/97/43/52/892974352.db2.gz SSWVFOGFOBEMTQ-UHFFFAOYSA-N 0 0 408.439 4.216 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)Cc3cnccc3C)cc2[N+](=O)[O-])n1 ZINC000477925872 893014541 /nfs/dbraw/zinc/01/45/41/893014541.db2.gz WHFQRCYCCBQDMC-UHFFFAOYSA-N 0 0 414.512 4.487 20 5 HIBDRN O=C(c1cc(N(Cc2c(F)cccc2F)C2CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000477952305 893042007 /nfs/dbraw/zinc/04/20/07/893042007.db2.gz WNLRQQDZNPVBAT-UHFFFAOYSA-N 0 0 401.413 4.278 20 5 HIBDRN O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000504986644 913731803 /nfs/dbraw/zinc/73/18/03/913731803.db2.gz OIWHRUJBYJHWPV-HNNXBMFYSA-N 0 0 412.833 4.318 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000478049369 893197783 /nfs/dbraw/zinc/19/77/83/893197783.db2.gz SVYGHGDLGAYJDX-HNNXBMFYSA-N 0 0 417.824 4.078 20 5 HIBDRN O=C(NCCCCc1ccc(F)c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000478055587 893208025 /nfs/dbraw/zinc/20/80/25/893208025.db2.gz SMPBEAUHZXPTOP-UHFFFAOYSA-N 0 0 417.456 4.229 20 5 HIBDRN COC(=O)c1cc(F)cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1F ZINC000478101515 893267083 /nfs/dbraw/zinc/26/70/83/893267083.db2.gz NJSSKMFKHQCZAC-UHFFFAOYSA-N 0 0 410.398 4.412 20 5 HIBDRN CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3cc4ccccc4c4cccnc34)c2)C1=O ZINC000478108591 893273347 /nfs/dbraw/zinc/27/33/47/893273347.db2.gz PHAYWFQJDABQOF-NRFANRHFSA-N 0 0 424.460 4.475 20 5 HIBDRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000478148755 893319979 /nfs/dbraw/zinc/31/99/79/893319979.db2.gz LCMWLOICQQXFMA-KRWDZBQOSA-N 0 0 410.426 4.024 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000478166634 893333793 /nfs/dbraw/zinc/33/37/93/893333793.db2.gz GYSBXZGRCHTMCA-CYBMUJFWSA-N 0 0 405.501 4.203 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000478188977 893351816 /nfs/dbraw/zinc/35/18/16/893351816.db2.gz WMCNYNZKHBPBDE-GOSISDBHSA-N 0 0 400.453 4.310 20 5 HIBDRN CN(Cc1ccccc1)C(=O)N1CCC(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000505018220 913759994 /nfs/dbraw/zinc/75/99/94/913759994.db2.gz HDYFHEJSYASVQV-UHFFFAOYSA-N 0 0 421.457 4.076 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(-c3cccc(S(=O)(=O)Cc4ccccc4)c3)n2)c1 ZINC000505022916 913762071 /nfs/dbraw/zinc/76/20/71/913762071.db2.gz CYVUOXMSQQHVTB-UHFFFAOYSA-N 0 0 421.434 4.286 20 5 HIBDRN CCOc1cc(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000478237981 893400633 /nfs/dbraw/zinc/40/06/33/893400633.db2.gz ZKKBIMBDOCRTGV-ZBFHGGJFSA-N 0 0 402.422 4.207 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000478250496 893423306 /nfs/dbraw/zinc/42/33/06/893423306.db2.gz KNFOLPOMEDACIF-GXTWGEPZSA-N 0 0 424.375 4.410 20 5 HIBDRN CC[C@H](C)c1ncc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cn1 ZINC000478284796 893490458 /nfs/dbraw/zinc/49/04/58/893490458.db2.gz BBSWTXRBRDWTIO-ZDUSSCGKSA-N 0 0 408.462 4.012 20 5 HIBDRN CCC[C@@H](CCO)CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000478301422 893519146 /nfs/dbraw/zinc/51/91/46/893519146.db2.gz CJWNIVZTNUJPJS-ZDUSSCGKSA-N 0 0 409.533 4.039 20 5 HIBDRN CCC1(Cc2ccccc2)CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000478321303 893549165 /nfs/dbraw/zinc/54/91/65/893549165.db2.gz VZNKVCLOGRFVNR-UHFFFAOYSA-N 0 0 419.485 4.051 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)cc([N+](=O)[O-])c1C ZINC000478341580 893583775 /nfs/dbraw/zinc/58/37/75/893583775.db2.gz RPYAYSLYGCWZMR-HNNXBMFYSA-N 0 0 404.850 4.249 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000478426720 893724435 /nfs/dbraw/zinc/72/44/35/893724435.db2.gz GGCWVJLOUBRQEV-OAQYLSRUSA-N 0 0 422.547 4.143 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc([N+](=O)[O-])c1C ZINC000478514739 893822994 /nfs/dbraw/zinc/82/29/94/893822994.db2.gz HRIRBGZYVADWPU-HNNXBMFYSA-N 0 0 418.877 4.496 20 5 HIBDRN COC(=O)CCCc1nnc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)s1 ZINC000478630401 893885002 /nfs/dbraw/zinc/88/50/02/893885002.db2.gz NSNJDGSSVBWTEI-UHFFFAOYSA-N 0 0 418.500 4.283 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000478672149 893922239 /nfs/dbraw/zinc/92/22/39/893922239.db2.gz GIRVJABWDZHPMT-LBPRGKRZSA-N 0 0 406.870 4.435 20 5 HIBDRN COc1cc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000478682391 893935413 /nfs/dbraw/zinc/93/54/13/893935413.db2.gz UJSSKBKDCREQJC-NRFANRHFSA-N 0 0 419.437 4.022 20 5 HIBDRN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000478684135 893938115 /nfs/dbraw/zinc/93/81/15/893938115.db2.gz AQMGUQIPYBNDRD-GOSISDBHSA-N 0 0 418.375 4.074 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000478688335 893944373 /nfs/dbraw/zinc/94/43/73/893944373.db2.gz PWHCPDDKBYUKAJ-GFCCVEGCSA-N 0 0 419.791 4.138 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000478689997 893946111 /nfs/dbraw/zinc/94/61/11/893946111.db2.gz QGGNIUUNSYZVQY-SFHVURJKSA-N 0 0 405.376 4.229 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnn(C[C@H](O)COc3c(Cl)cccc3Cl)c2)c1 ZINC000478772204 894046599 /nfs/dbraw/zinc/04/65/99/894046599.db2.gz MSNHFYHRINEUCS-HNNXBMFYSA-N 0 0 408.241 4.205 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCCOc2c(F)cccc21 ZINC000478776636 894052708 /nfs/dbraw/zinc/05/27/08/894052708.db2.gz YALQJFKLZATEPL-HNNXBMFYSA-N 0 0 408.813 4.186 20 5 HIBDRN CCCCOc1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000478783215 894059081 /nfs/dbraw/zinc/05/90/81/894059081.db2.gz PGXXVMGEYZGLPZ-UHFFFAOYSA-N 0 0 401.463 4.090 20 5 HIBDRN C[C@@H](OC[C@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccc(Cl)cc1 ZINC000478791217 894066672 /nfs/dbraw/zinc/06/66/72/894066672.db2.gz BHQFUTJEEKHEEQ-JLTOFOAXSA-N 0 0 401.850 4.250 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000478810041 894083905 /nfs/dbraw/zinc/08/39/05/894083905.db2.gz FQWLZWSDIHTBHN-NSHDSACASA-N 0 0 413.352 4.062 20 5 HIBDRN Cc1ccc(C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2C)c2ccccn2)cc1 ZINC000478835039 894111883 /nfs/dbraw/zinc/11/18/83/894111883.db2.gz INQSRHNTJXPYCS-NRFANRHFSA-N 0 0 404.470 4.390 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)CCCCc3ccccc3)co2)cc1 ZINC000478863222 894141967 /nfs/dbraw/zinc/14/19/67/894141967.db2.gz JCACAEXEJXRHMZ-UHFFFAOYSA-N 0 0 400.456 4.188 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc([N+](=O)[O-])c1C ZINC000478879602 894157494 /nfs/dbraw/zinc/15/74/94/894157494.db2.gz AFXOXDVWLBIVKB-ZDUSSCGKSA-N 0 0 412.421 4.036 20 5 HIBDRN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(Br)cc2)c(F)cc1[N+](=O)[O-] ZINC000478891330 894173171 /nfs/dbraw/zinc/17/31/71/894173171.db2.gz CFYWKYBXTMXMRP-NSHDSACASA-N 0 0 411.227 4.061 20 5 HIBDRN CC(C)(C)c1cnc(COc2ccc(I)cc2[N+](=O)[O-])o1 ZINC000478897353 894179020 /nfs/dbraw/zinc/17/90/20/894179020.db2.gz JVWMSIATEPSMRH-UHFFFAOYSA-N 0 0 402.188 4.064 20 5 HIBDRN COc1ccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1OCc1ccncc1 ZINC000478901433 894182814 /nfs/dbraw/zinc/18/28/14/894182814.db2.gz XCFZCJDWTBFAJH-UHFFFAOYSA-N 0 0 423.425 4.147 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000478910450 894190524 /nfs/dbraw/zinc/19/05/24/894190524.db2.gz KMHKMEJRJIEVOK-CYBMUJFWSA-N 0 0 404.637 4.410 20 5 HIBDRN Nc1c(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cc(F)cc1[N+](=O)[O-] ZINC000478912698 894193129 /nfs/dbraw/zinc/19/31/29/894193129.db2.gz XHWDFURJNXARPH-UHFFFAOYSA-N 0 0 409.339 4.264 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000478934145 894215350 /nfs/dbraw/zinc/21/53/50/894215350.db2.gz IMKMPGXBISNHRY-NSHDSACASA-N 0 0 413.352 4.062 20 5 HIBDRN CN(CCc1cccc2ccccc21)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000505157054 913848108 /nfs/dbraw/zinc/84/81/08/913848108.db2.gz ROQNPFPWWUVSLT-UHFFFAOYSA-N 0 0 400.438 4.248 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000505162220 913853019 /nfs/dbraw/zinc/85/30/19/913853019.db2.gz LKHVXVJGBNQIBJ-UHFFFAOYSA-N 0 0 406.891 4.162 20 5 HIBDRN O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000505166918 913855877 /nfs/dbraw/zinc/85/58/77/913855877.db2.gz FKJBCJUKEZYBPY-UHFFFAOYSA-N 0 0 415.877 4.258 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000505167862 913857473 /nfs/dbraw/zinc/85/74/73/913857473.db2.gz NREJEBDULRZFBY-OAQYLSRUSA-N 0 0 404.422 4.281 20 5 HIBDRN COC(=O)c1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)cc1 ZINC000479101270 894365110 /nfs/dbraw/zinc/36/51/10/894365110.db2.gz GORFJGSYGBCYMP-CQSZACIVSA-N 0 0 416.739 4.068 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000479102707 894367542 /nfs/dbraw/zinc/36/75/42/894367542.db2.gz HKMGRSQIMUEOEU-LBPRGKRZSA-N 0 0 424.423 4.265 20 5 HIBDRN COc1ccc(CSCC(=O)NC2(c3ccccc3)CCCC2)cc1[N+](=O)[O-] ZINC000505176045 913863753 /nfs/dbraw/zinc/86/37/53/913863753.db2.gz GBIZZBDIJWYPLV-UHFFFAOYSA-N 0 0 400.500 4.422 20 5 HIBDRN Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000479111206 894379416 /nfs/dbraw/zinc/37/94/16/894379416.db2.gz XXWUFRRDHYCCRD-UHFFFAOYSA-N 0 0 420.853 4.453 20 5 HIBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000479118250 894387243 /nfs/dbraw/zinc/38/72/43/894387243.db2.gz KNVDNRSCRQNRMB-UHFFFAOYSA-N 0 0 403.394 4.253 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Cl)c1Br ZINC000479117590 894388229 /nfs/dbraw/zinc/38/82/29/894388229.db2.gz BSVYYUUQBKLDKF-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN COC(=O)c1ccc([C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C(F)(F)F)cc1 ZINC000479129090 894397153 /nfs/dbraw/zinc/39/71/53/894397153.db2.gz KUKDZWRQZMDRTI-INIZCTEOSA-N 0 0 422.315 4.161 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000479129819 894397486 /nfs/dbraw/zinc/39/74/86/894397486.db2.gz LSAQXFXBEIIDSV-UHFFFAOYSA-N 0 0 420.878 4.160 20 5 HIBDRN Cc1cc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Br)ccc1[N+](=O)[O-] ZINC000479135830 894403930 /nfs/dbraw/zinc/40/39/30/894403930.db2.gz AMBOPVYEVSGKAP-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN CCNc1ccc(C(=O)N2CCc3cc(Br)cc(F)c32)cc1[N+](=O)[O-] ZINC000479159109 894428509 /nfs/dbraw/zinc/42/85/09/894428509.db2.gz QLVZIMDEEHNISR-UHFFFAOYSA-N 0 0 408.227 4.131 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(C2CC2)c2cc(F)ccc21 ZINC000479178949 894447801 /nfs/dbraw/zinc/44/78/01/894447801.db2.gz HTQFTUQVYFTFKN-UHFFFAOYSA-N 0 0 424.457 4.487 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000479194335 894461434 /nfs/dbraw/zinc/46/14/34/894461434.db2.gz YHEIJAQJSJBPKD-JOCHJYFZSA-N 0 0 423.444 4.373 20 5 HIBDRN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000479271424 894546282 /nfs/dbraw/zinc/54/62/82/894546282.db2.gz WMFDOXHIFQBATL-JTQLQIEISA-N 0 0 420.288 4.328 20 5 HIBDRN Cc1ccc(F)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1Br ZINC000479277139 894552780 /nfs/dbraw/zinc/55/27/80/894552780.db2.gz COZCEUJFFDTBCN-UHFFFAOYSA-N 0 0 417.256 4.222 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000479293313 894574664 /nfs/dbraw/zinc/57/46/64/894574664.db2.gz CYGJZKSVJOKVAZ-QGZVFWFLSA-N 0 0 413.232 4.183 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000479333785 894628207 /nfs/dbraw/zinc/62/82/07/894628207.db2.gz JSJNKLUSSZCEGM-UHFFFAOYSA-N 0 0 413.499 4.198 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000479335183 894629743 /nfs/dbraw/zinc/62/97/43/894629743.db2.gz OKWJIPZRKVMJHR-UHFFFAOYSA-N 0 0 424.906 4.138 20 5 HIBDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000479345585 894641850 /nfs/dbraw/zinc/64/18/50/894641850.db2.gz PDBLFPKAZHRUSY-UHFFFAOYSA-N 0 0 423.263 4.037 20 5 HIBDRN C[C@@H](SCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000479379923 894680516 /nfs/dbraw/zinc/68/05/16/894680516.db2.gz SPEMGWRVRZXMTM-GFCCVEGCSA-N 0 0 418.906 4.278 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC(OCC(F)F)C1 ZINC000479389665 894691357 /nfs/dbraw/zinc/69/13/57/894691357.db2.gz DTVGTQIQLXQJQB-UHFFFAOYSA-N 0 0 412.776 4.147 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC000479396897 894699212 /nfs/dbraw/zinc/69/92/12/894699212.db2.gz JVZXXLKODLYTLW-ZDUSSCGKSA-N 0 0 400.435 4.171 20 5 HIBDRN CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000479434898 894751316 /nfs/dbraw/zinc/75/13/16/894751316.db2.gz GDFREHKFLBPGME-UHFFFAOYSA-N 0 0 411.867 4.096 20 5 HIBDRN CCS[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000479485597 894808402 /nfs/dbraw/zinc/80/84/02/894808402.db2.gz KOSCLCICVOCFHV-SECBINFHSA-N 0 0 418.397 4.083 20 5 HIBDRN COCC[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C)o1 ZINC000479658100 894932856 /nfs/dbraw/zinc/93/28/56/894932856.db2.gz RJJZJBSUGVAAAJ-HNNXBMFYSA-N 0 0 401.444 4.127 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000479677986 894961879 /nfs/dbraw/zinc/96/18/79/894961879.db2.gz RBUYGLFKMMOSAD-SECBINFHSA-N 0 0 418.803 4.044 20 5 HIBDRN C[C@@H](SCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000479721063 895018018 /nfs/dbraw/zinc/01/80/18/895018018.db2.gz 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O=[N+]([O-])c1cc(Cn2ccc(-c3ccc(Br)cc3)n2)c2c(c1)COCO2 ZINC000479929956 895278476 /nfs/dbraw/zinc/27/84/76/895278476.db2.gz LQRZSAVFXVMTGP-UHFFFAOYSA-N 0 0 416.231 4.136 20 5 HIBDRN O=C(c1cc2c(cc(Cl)cc2Cl)[nH]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000480016054 895366619 /nfs/dbraw/zinc/36/66/19/895366619.db2.gz HPVFWLMPQZZPLB-LLVKDONJSA-N 0 0 420.256 4.105 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(C(=O)N2CCc3sccc3C2)cc1 ZINC000480019260 895369983 /nfs/dbraw/zinc/36/99/83/895369983.db2.gz TYODGRGLWFPLOY-UHFFFAOYSA-N 0 0 412.471 4.172 20 5 HIBDRN COc1ccc(Oc2ccc(NC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)cn2)cc1 ZINC000480021519 895371420 /nfs/dbraw/zinc/37/14/20/895371420.db2.gz PGSRBCVAQIYZOL-UHFFFAOYSA-N 0 0 409.398 4.360 20 5 HIBDRN COc1cc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc([N+](=O)[O-])c1C ZINC000480031792 895380886 /nfs/dbraw/zinc/38/08/86/895380886.db2.gz RGVSYZUMVPZJFJ-QGZVFWFLSA-N 0 0 422.441 4.329 20 5 HIBDRN COc1cc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc([N+](=O)[O-])c1C ZINC000480034880 895383290 /nfs/dbraw/zinc/38/32/90/895383290.db2.gz AWTJPXOYGGBEFZ-UHFFFAOYSA-N 0 0 404.850 4.001 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000480059075 895407012 /nfs/dbraw/zinc/40/70/12/895407012.db2.gz LPOWVTYQYHEGOD-UHFFFAOYSA-N 0 0 410.474 4.097 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)NCc4cccc([N+](=O)[O-])c4C)CC3)c2c1 ZINC000480062602 895411656 /nfs/dbraw/zinc/41/16/56/895411656.db2.gz UZGQJQDCXJYESE-UHFFFAOYSA-N 0 0 420.469 4.392 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000480064383 895413239 /nfs/dbraw/zinc/41/32/39/895413239.db2.gz YBPFTIXAQHLKGJ-ZHRRBRCNSA-N 0 0 409.486 4.070 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)cc([N+](=O)[O-])c1 ZINC000505309997 913971191 /nfs/dbraw/zinc/97/11/91/913971191.db2.gz CPSBKUANUCCIDM-UHFFFAOYSA-N 0 0 422.441 4.468 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000480118455 895491820 /nfs/dbraw/zinc/49/18/20/895491820.db2.gz VXECIRVTNXGRMH-HXPMCKFVSA-N 0 0 404.850 4.167 20 5 HIBDRN COC(=O)c1ccccc1N(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000505316172 913977130 /nfs/dbraw/zinc/97/71/30/913977130.db2.gz HNGDELYAUBOBPW-UHFFFAOYSA-N 0 0 405.410 4.402 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000480205902 895607204 /nfs/dbraw/zinc/60/72/04/895607204.db2.gz XVOGUHSQTQELNM-SECBINFHSA-N 0 0 410.352 4.208 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)cc([N+](=O)[O-])c1 ZINC000505323365 913985335 /nfs/dbraw/zinc/98/53/35/913985335.db2.gz SMTYZMYKNJSZOH-UHFFFAOYSA-N 0 0 408.414 4.078 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CCC[C@H]2Cc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000480340705 895745356 /nfs/dbraw/zinc/74/53/56/895745356.db2.gz XFFYCXHOXHNWPZ-KRWDZBQOSA-N 0 0 424.888 4.424 20 5 HIBDRN CC(C)NC(=O)c1ccc(N2CCC[C@H](OCc3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000480363015 895769487 /nfs/dbraw/zinc/76/94/87/895769487.db2.gz 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COCCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000480613010 895978504 /nfs/dbraw/zinc/97/85/04/895978504.db2.gz LVSFYAHONJAMPV-QGZVFWFLSA-N 0 0 412.895 4.085 20 5 HIBDRN CN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000480671942 896034362 /nfs/dbraw/zinc/03/43/62/896034362.db2.gz CLICLLHTNMJWSN-UHFFFAOYSA-N 0 0 401.772 4.495 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCc3cc(Cl)ccc3C2)cc1[N+](=O)[O-] ZINC000480826184 896200195 /nfs/dbraw/zinc/20/01/95/896200195.db2.gz GTFFGWWMFHZHNE-UHFFFAOYSA-N 0 0 406.891 4.075 20 5 HIBDRN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000480830123 896203153 /nfs/dbraw/zinc/20/31/53/896203153.db2.gz GDAGBENOGJQBOB-UHFFFAOYSA-N 0 0 408.336 4.259 20 5 HIBDRN Cc1cc(N[C@@H](C)c2ccc(Br)cn2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000480851896 896221381 /nfs/dbraw/zinc/22/13/81/896221381.db2.gz GOVYMKBCPCAZQY-LBPRGKRZSA-N 0 0 414.263 4.113 20 5 HIBDRN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000505384307 914048540 /nfs/dbraw/zinc/04/85/40/914048540.db2.gz KWFDTMZNRQHSFP-UHFFFAOYSA-N 0 0 418.881 4.094 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c([N+](=O)[O-])c1 ZINC000480944852 896291273 /nfs/dbraw/zinc/29/12/73/896291273.db2.gz ICIVYRFORPLOGF-UHFFFAOYSA-N 0 0 400.822 4.312 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c1C ZINC000480946795 896291299 /nfs/dbraw/zinc/29/12/99/896291299.db2.gz BTIOBVHXUBJHNB-UHFFFAOYSA-N 0 0 413.499 4.261 20 5 HIBDRN Cc1ccc(C)c(S(=O)(=O)NC(c2cccs2)c2cccs2)c1[N+](=O)[O-] ZINC000481027511 896355661 /nfs/dbraw/zinc/35/56/61/896355661.db2.gz VEPTUSAZQRGIGE-UHFFFAOYSA-N 0 0 408.526 4.403 20 5 HIBDRN Cc1nc(N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000481061937 896383989 /nfs/dbraw/zinc/38/39/89/896383989.db2.gz RVPSHZDQEHXXEB-LBPRGKRZSA-N 0 0 420.185 4.225 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(CO)Cc1ccccc1 ZINC000481113086 896435448 /nfs/dbraw/zinc/43/54/48/896435448.db2.gz 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CCn1c(SCCCCCn2cc(C)cn2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481347333 896717923 /nfs/dbraw/zinc/71/79/23/896717923.db2.gz NXVPJARRNYSBCV-UHFFFAOYSA-N 0 0 400.508 4.341 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(Cc1ccsc1)c1cccnc1 ZINC000481348315 896720803 /nfs/dbraw/zinc/72/08/03/896720803.db2.gz PMTCTTJRLWZZLA-UHFFFAOYSA-N 0 0 403.485 4.064 20 5 HIBDRN Cc1cc2n[nH]cc2cc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000481358448 896736979 /nfs/dbraw/zinc/73/69/79/896736979.db2.gz HWSSALFPTYEHSM-UHFFFAOYSA-N 0 0 404.376 4.397 20 5 HIBDRN Cc1nc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccc(Cl)cc2)no1 ZINC000481387364 896787976 /nfs/dbraw/zinc/78/79/76/896787976.db2.gz BITOWBVGSUZTLE-INIZCTEOSA-N 0 0 401.810 4.159 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc3cccc(Cl)c3n2)c([N+](=O)[O-])cc1OC ZINC000505439297 914104410 /nfs/dbraw/zinc/10/44/10/914104410.db2.gz GAJZOXNWMKSMGB-UHFFFAOYSA-N 0 0 401.806 4.456 20 5 HIBDRN Cc1c(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cccc1[N+](=O)[O-] ZINC000481462007 896854537 /nfs/dbraw/zinc/85/45/37/896854537.db2.gz BKVGZJDXBHOMSE-UHFFFAOYSA-N 0 0 418.862 4.015 20 5 HIBDRN CC(C)C[C@H](C)n1nccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000481465702 896857503 /nfs/dbraw/zinc/85/75/03/896857503.db2.gz LJNGQGOEPATVBU-INIZCTEOSA-N 0 0 415.494 4.474 20 5 HIBDRN Cc1c(CNC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)cccc1[N+](=O)[O-] ZINC000481469540 896859650 /nfs/dbraw/zinc/85/96/50/896859650.db2.gz YOXKVYBSNNCQAV-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN COc1ccc(C(=O)c2ccccc2C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000481476741 896863162 /nfs/dbraw/zinc/86/31/62/896863162.db2.gz VPBMCJCIMARVEM-UHFFFAOYSA-N 0 0 404.422 4.073 20 5 HIBDRN Cc1c(CNC(=O)CCc2nc3ccccc3n2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000481478309 896864216 /nfs/dbraw/zinc/86/42/16/896864216.db2.gz KYRYCWRXYXMEKD-UHFFFAOYSA-N 0 0 414.465 4.491 20 5 HIBDRN Cc1c(CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cccc1[N+](=O)[O-] ZINC000481478960 896864385 /nfs/dbraw/zinc/86/43/85/896864385.db2.gz JSLOVHOIQQBILR-UHFFFAOYSA-N 0 0 414.849 4.246 20 5 HIBDRN CC(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1 ZINC000481506902 896877581 /nfs/dbraw/zinc/87/75/81/896877581.db2.gz QZTWGZGNHBIPBG-UHFFFAOYSA-N 0 0 401.488 4.231 20 5 HIBDRN Cc1cc(NC(=O)c2cnc(-c3ccccc3)nc2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481525607 896888339 /nfs/dbraw/zinc/88/83/39/896888339.db2.gz CPPCTGQHKOVPQD-UHFFFAOYSA-N 0 0 414.425 4.107 20 5 HIBDRN Cn1cc(C(=O)Nc2ccc3cccc(Cl)c3n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505446383 914112065 /nfs/dbraw/zinc/11/20/65/914112065.db2.gz SBBZWPHREXKDCF-UHFFFAOYSA-N 0 0 407.817 4.449 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(NCC2(c3cccc(Br)c3)CCOCC2)n1 ZINC000481691138 897076531 /nfs/dbraw/zinc/07/65/31/897076531.db2.gz ORGLVLZHZINGRI-UHFFFAOYSA-N 0 0 406.280 4.221 20 5 HIBDRN COC(=O)c1ccc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000481703441 897091254 /nfs/dbraw/zinc/09/12/54/897091254.db2.gz RWUIVYXBAXCREZ-UHFFFAOYSA-N 0 0 412.423 4.056 20 5 HIBDRN CN(Cc1ccc(Br)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1F 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/nfs/dbraw/zinc/74/07/09/897740709.db2.gz PSWSGOYYNLWTNZ-LBPRGKRZSA-N 0 0 418.375 4.104 20 5 HIBDRN CO[C@@H]1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC000482268793 897754364 /nfs/dbraw/zinc/75/43/64/897754364.db2.gz ZUCAWWARLXZPBL-XSVZSIDJSA-N 0 0 423.494 4.383 20 5 HIBDRN CCOC(=O)c1cc(CC)sc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000482300986 897796717 /nfs/dbraw/zinc/79/67/17/897796717.db2.gz JIZSZCXLXARSJV-UHFFFAOYSA-N 0 0 424.500 4.378 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[C@@H]1c1ccccc1 ZINC000482305528 897803820 /nfs/dbraw/zinc/80/38/20/897803820.db2.gz VKZPJQTWCFSJQX-MJGOQNOKSA-N 0 0 404.470 4.436 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1C ZINC000482314165 897812231 /nfs/dbraw/zinc/81/22/31/897812231.db2.gz DXVAYEUNRLTGEP-UHFFFAOYSA-N 0 0 410.473 4.124 20 5 HIBDRN COc1ccc([C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc1 ZINC000482362710 897881170 /nfs/dbraw/zinc/88/11/70/897881170.db2.gz 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CC[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)Oc1ccccc1Cl ZINC000482632862 898237189 /nfs/dbraw/zinc/23/71/89/898237189.db2.gz WGYPBRLOYBXGNF-CYBMUJFWSA-N 0 0 415.833 4.089 20 5 HIBDRN CCc1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccccc1C ZINC000482684857 898284817 /nfs/dbraw/zinc/28/48/17/898284817.db2.gz RCAJUANNUDCEAW-UHFFFAOYSA-N 0 0 416.441 4.089 20 5 HIBDRN CCc1c(NC(=O)COc2ccccc2[N+](=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000482705725 898305153 /nfs/dbraw/zinc/30/51/53/898305153.db2.gz NWKDNFSDEGEQBH-UHFFFAOYSA-N 0 0 400.822 4.014 20 5 HIBDRN CCc1c(NC(=O)COc2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000482712530 898313294 /nfs/dbraw/zinc/31/32/94/898313294.db2.gz YWARITAYARMAPR-UHFFFAOYSA-N 0 0 400.822 4.014 20 5 HIBDRN CCc1c(NC(=O)CCNc2ccccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000482732715 898335010 /nfs/dbraw/zinc/33/50/10/898335010.db2.gz JITWLJGLOBTGGB-UHFFFAOYSA-N 0 0 413.865 4.437 20 5 HIBDRN Cc1noc(C)c1Cc1noc(-c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000482733284 898335090 /nfs/dbraw/zinc/33/50/90/898335090.db2.gz LIRIRECYCBOIIP-CYBMUJFWSA-N 0 0 420.429 4.409 20 5 HIBDRN CCc1c(NC(=O)COc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000482738296 898339895 /nfs/dbraw/zinc/33/98/95/898339895.db2.gz ZYKGIMSUBZCEIP-UHFFFAOYSA-N 0 0 400.822 4.014 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482772452 898380589 /nfs/dbraw/zinc/38/05/89/898380589.db2.gz ZOQPRBTWWLZCHC-HXUWFJFHSA-N 0 0 416.840 4.140 20 5 HIBDRN CN(Cc1ccc(F)cc1Br)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000482787090 898395215 /nfs/dbraw/zinc/39/52/15/898395215.db2.gz LAZPZZGRFYNHEY-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCOc2ncccc21 ZINC000482811656 898423163 /nfs/dbraw/zinc/42/31/63/898423163.db2.gz UJIALAJZFJZXQQ-UHFFFAOYSA-N 0 0 424.844 4.295 20 5 HIBDRN CC[C@H]1CCc2ccccc2N1C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] ZINC000482826334 898435052 /nfs/dbraw/zinc/43/50/52/898435052.db2.gz MHPFXAUBXPQITA-INIZCTEOSA-N 0 0 414.458 4.000 20 5 HIBDRN CCOc1cc(N2CCN(Cc3nc(-c4ccccc4)oc3C)CC2)ccc1[N+](=O)[O-] ZINC000482889084 898506144 /nfs/dbraw/zinc/50/61/44/898506144.db2.gz SZLOVEWZTGFGHB-UHFFFAOYSA-N 0 0 422.485 4.279 20 5 HIBDRN CC(=O)N1CCCc2cc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc21 ZINC000482959190 898588281 /nfs/dbraw/zinc/58/82/81/898588281.db2.gz OVPLSQWISNSEKD-UHFFFAOYSA-N 0 0 408.458 4.090 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)cc1SC ZINC000483006728 898659282 /nfs/dbraw/zinc/65/92/82/898659282.db2.gz NCEBEKZEPCUNTA-FQEVSTJZSA-N 0 0 404.463 4.268 20 5 HIBDRN CCC[C@](C)(CC)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000483060187 898736487 /nfs/dbraw/zinc/73/64/87/898736487.db2.gz VHKOCYOOSPPHGM-KRWDZBQOSA-N 0 0 411.505 4.039 20 5 HIBDRN Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1C(=O)NC(C)C ZINC000483067989 898748105 /nfs/dbraw/zinc/74/81/05/898748105.db2.gz JKKBGQXRVDBNAG-UHFFFAOYSA-N 0 0 410.474 4.238 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000483089102 898776897 /nfs/dbraw/zinc/77/68/97/898776897.db2.gz NKHJTTONIWDYMH-INIZCTEOSA-N 0 0 414.380 4.104 20 5 HIBDRN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000483090775 898779354 /nfs/dbraw/zinc/77/93/54/898779354.db2.gz CMYDZXQAFRFODT-UHFFFAOYSA-N 0 0 420.462 4.234 20 5 HIBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1SC1CCCC1 ZINC000483279382 898917206 /nfs/dbraw/zinc/91/72/06/898917206.db2.gz YMKUGKJUWVFIMS-UHFFFAOYSA-N 0 0 413.455 4.176 20 5 HIBDRN Cn1c(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nc2cccc(Cl)c21 ZINC000483317057 898945618 /nfs/dbraw/zinc/94/56/18/898945618.db2.gz SYDOGJCQQKYQSB-UHFFFAOYSA-N 0 0 413.865 4.009 20 5 HIBDRN Cc1c(NC(=O)N2CCC=C(c3ccncc3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000483340096 898969981 /nfs/dbraw/zinc/96/99/81/898969981.db2.gz YENFUBICZZRAPQ-UHFFFAOYSA-N 0 0 417.263 4.382 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 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Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])o1 ZINC000483565389 899220592 /nfs/dbraw/zinc/22/05/92/899220592.db2.gz FQDAXVIZGZVSQQ-UHFFFAOYSA-N 0 0 413.817 4.072 20 5 HIBDRN O=C(Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)[C@@H]1CCC(F)(F)C1 ZINC000483601390 899253204 /nfs/dbraw/zinc/25/32/04/899253204.db2.gz ACILKANQRFOAOW-GFCCVEGCSA-N 0 0 402.357 4.414 20 5 HIBDRN O=C(N[C@@H](Cc1ccccn1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000483616737 899267482 /nfs/dbraw/zinc/26/74/82/899267482.db2.gz NGPRUYSLZXDLJK-QFIPXVFZSA-N 0 0 402.454 4.042 20 5 HIBDRN COC(=O)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc(O)c1 ZINC000483654263 899312464 /nfs/dbraw/zinc/31/24/64/899312464.db2.gz WCHZVSOTGUQMJD-IBGZPJMESA-N 0 0 416.817 4.218 20 5 HIBDRN Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)o1 ZINC000483659876 899318968 /nfs/dbraw/zinc/31/89/68/899318968.db2.gz YRTJZOIFXRDWFA-HNNXBMFYSA-N 0 0 407.426 4.288 20 5 HIBDRN C[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1Br ZINC000483719398 899379179 /nfs/dbraw/zinc/37/91/79/899379179.db2.gz GQTLLYVAAPZMHF-CHWSQXEVSA-N 0 0 422.279 4.185 20 5 HIBDRN Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3C)cc2)c1 ZINC000483809215 899485380 /nfs/dbraw/zinc/48/53/80/899485380.db2.gz QBMUHLPJRQGGBD-UHFFFAOYSA-N 0 0 419.437 4.259 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC ZINC000483821057 899498927 /nfs/dbraw/zinc/49/89/27/899498927.db2.gz UQMSNCOKZDFCLP-LLVKDONJSA-N 0 0 410.373 4.095 20 5 HIBDRN CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000483821416 899499566 /nfs/dbraw/zinc/49/95/66/899499566.db2.gz QWXXHJBPXKKNQM-AWEZNQCLSA-N 0 0 415.515 4.357 20 5 HIBDRN O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000483978763 899622310 /nfs/dbraw/zinc/62/23/10/899622310.db2.gz LXLYWARZAPISBD-UHFFFAOYSA-N 0 0 408.439 4.245 20 5 HIBDRN CCCC[C@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000483988034 899629547 /nfs/dbraw/zinc/62/95/47/899629547.db2.gz ZVBZIOOBVACSAB-IBGZPJMESA-N 0 0 400.431 4.051 20 5 HIBDRN Cc1ccc2c(c1)CC[C@@H](C(=O)N(C)c1nc(-c3ccccc3[N+](=O)[O-])cs1)O2 ZINC000483988208 899630679 /nfs/dbraw/zinc/63/06/79/899630679.db2.gz ZOANWZMGXHYYIF-IBGZPJMESA-N 0 0 409.467 4.383 20 5 HIBDRN COc1cccc(CN(C)Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000505668322 914366535 /nfs/dbraw/zinc/36/65/35/914366535.db2.gz YTMMQPBCEKKHRW-UHFFFAOYSA-N 0 0 414.380 4.185 20 5 HIBDRN O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000484017497 899652390 /nfs/dbraw/zinc/65/23/90/899652390.db2.gz XHVANQQAPZABFZ-FQEVSTJZSA-N 0 0 422.391 4.394 20 5 HIBDRN Cc1nc(-c2ccccc2NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000484025843 899659670 /nfs/dbraw/zinc/65/96/70/899659670.db2.gz MICPSHXCVYEJGV-ZDUSSCGKSA-N 0 0 424.482 4.151 20 5 HIBDRN O=C(Nc1ccc(C(F)(F)F)nn1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000484125923 899747722 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423.425 4.249 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2 ZINC000484316497 899874765 /nfs/dbraw/zinc/87/47/65/899874765.db2.gz TXIVSEBFUWQMSA-UHFFFAOYSA-N 0 0 407.451 4.332 20 5 HIBDRN Cc1nc(NC(=O)c2cc(Br)ccc2Br)ccc1[N+](=O)[O-] ZINC000484325651 899880488 /nfs/dbraw/zinc/88/04/88/899880488.db2.gz QGAFNICBLFKQME-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N(C)C[C@@H]3CCCC[C@H]3O)cc2[N+](=O)[O-])n1 ZINC000484335864 899887649 /nfs/dbraw/zinc/88/76/49/899887649.db2.gz GGRKGXMYMVCBPR-GOEBONIOSA-N 0 0 421.544 4.134 20 5 HIBDRN CCc1ccc([C@@H]2CN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCO2)cc1 ZINC000484340729 899891006 /nfs/dbraw/zinc/89/10/06/899891006.db2.gz NNWGMJOKJZYVMO-XOBRGWDASA-N 0 0 417.893 4.211 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484347239 899896538 /nfs/dbraw/zinc/89/65/38/899896538.db2.gz SZMXEFNYDLDDLS-YGRLFVJLSA-N 0 0 407.820 4.486 20 5 HIBDRN 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C[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000485038591 900376804 /nfs/dbraw/zinc/37/68/04/900376804.db2.gz YWGBHFXKPXQVSS-CHWSQXEVSA-N 0 0 419.528 4.298 20 5 HIBDRN O=C(Nc1ccc(Oc2ccccc2)cn1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000485078986 900397033 /nfs/dbraw/zinc/39/70/33/900397033.db2.gz NWTHDXWWVZUAPS-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000485144023 900444463 /nfs/dbraw/zinc/44/44/63/900444463.db2.gz KFKCKTWKIDLVCQ-OAHLLOKOSA-N 0 0 423.448 4.320 20 5 HIBDRN CCOc1cc(Br)c(F)cc1NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000485159089 900457545 /nfs/dbraw/zinc/45/75/45/900457545.db2.gz DYEDPNNIFAQCDO-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(CC(F)(F)F)C1CCCC1 ZINC000485207273 900497054 /nfs/dbraw/zinc/49/70/54/900497054.db2.gz BJEMJQCUKCTYJI-UHFFFAOYSA-N 0 0 402.416 4.488 20 5 HIBDRN COc1ccc(CSCC(=O)N(CC(F)(F)F)C2CCCC2)cc1[N+](=O)[O-] ZINC000485219085 900505982 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COc1ccc(-c2cc3ncn(Cc4ccc([N+](=O)[O-])cc4OC)c(=O)c3s2)cc1 ZINC000485376532 900674151 /nfs/dbraw/zinc/67/41/51/900674151.db2.gz URZLAWQKWWXHPE-UHFFFAOYSA-N 0 0 423.450 4.099 20 5 HIBDRN O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CCN1Cc1ccccc1 ZINC000485398230 900696340 /nfs/dbraw/zinc/69/63/40/900696340.db2.gz IGTDANCSVFUMKQ-SFHVURJKSA-N 0 0 406.417 4.009 20 5 HIBDRN CC(C)n1cnnc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485399497 900697543 /nfs/dbraw/zinc/69/75/43/900697543.db2.gz PWPUTHSDEQRJPY-MRXNPFEDSA-N 0 0 410.453 4.352 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(c3noc(C4CC4)n3)CC2)nc1-c1ccc(F)cc1 ZINC000485399921 900697709 /nfs/dbraw/zinc/69/77/09/900697709.db2.gz DDBNCPOVQPQRTA-UHFFFAOYSA-N 0 0 409.421 4.440 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2ncn(Cc3cccc(F)c3)n2)nc1-c1ccc(F)cc1 ZINC000485402049 900700883 /nfs/dbraw/zinc/70/08/83/900700883.db2.gz GMPXWJHEWPADSV-UHFFFAOYSA-N 0 0 422.395 4.187 20 5 HIBDRN CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC12CCCCC2 ZINC000485410785 900707590 /nfs/dbraw/zinc/70/75/90/900707590.db2.gz KVWLHOFDLUDMFI-UHFFFAOYSA-N 0 0 412.465 4.167 20 5 HIBDRN CN(Cc1cn(C)nc1C(F)(F)F)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485411692 900709259 /nfs/dbraw/zinc/70/92/59/900709259.db2.gz SAUSBXNROFUQNR-UHFFFAOYSA-N 0 0 409.343 4.185 20 5 HIBDRN CCOc1cc(C(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000485415622 900714331 /nfs/dbraw/zinc/71/43/31/900714331.db2.gz YJAIWQQHZAFFQH-KRWDZBQOSA-N 0 0 412.364 4.378 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCn2c(cc3ccccc32)C1 ZINC000485432728 900729441 /nfs/dbraw/zinc/72/94/41/900729441.db2.gz AUUJKTIUVHCXGJ-UHFFFAOYSA-N 0 0 401.875 4.337 20 5 HIBDRN C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000485458969 900753260 /nfs/dbraw/zinc/75/32/60/900753260.db2.gz TYBABCRQOPOJMW-VIFPVBQESA-N 0 0 404.224 4.116 20 5 HIBDRN O=C(Cc1ccc(F)cc1Br)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485460619 900756244 /nfs/dbraw/zinc/75/62/44/900756244.db2.gz AIPIPGCBIROQEM-UHFFFAOYSA-N 0 0 407.239 4.230 20 5 HIBDRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000485472360 900765639 /nfs/dbraw/zinc/76/56/39/900765639.db2.gz FBVNWPMNDZYMMA-CQSZACIVSA-N 0 0 422.528 4.037 20 5 HIBDRN O=C(NCc1ccc(-c2ccncc2)cc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000485499751 900789714 /nfs/dbraw/zinc/78/97/14/900789714.db2.gz APUXEEJSULTMBN-UHFFFAOYSA-N 0 0 418.272 4.411 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(N2CCCC2)c1 ZINC000485513687 900798750 /nfs/dbraw/zinc/79/87/50/900798750.db2.gz CPWHJLWVBIREJZ-ZDUSSCGKSA-N 0 0 405.401 4.287 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccccc2F)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000485520472 900803739 /nfs/dbraw/zinc/80/37/39/900803739.db2.gz YVRVZQXANPZGHZ-UHFFFAOYSA-N 0 0 400.341 4.382 20 5 HIBDRN O=C(c1cccnc1OCc1ccccc1F)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000485520577 900804082 /nfs/dbraw/zinc/80/40/82/900804082.db2.gz PZAZJRJBINFULP-UHFFFAOYSA-N 0 0 407.401 4.301 20 5 HIBDRN COc1ccc(Br)cc1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000485523519 900806130 /nfs/dbraw/zinc/80/61/30/900806130.db2.gz ZZVOCFGWHIGVHD-UHFFFAOYSA-N 0 0 411.277 4.018 20 5 HIBDRN COc1ccccc1[C@@H]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000485529938 900809947 /nfs/dbraw/zinc/80/99/47/900809947.db2.gz HTHYVAZECZMWMT-SNVBAGLBSA-N 0 0 411.277 4.057 20 5 HIBDRN O=C(Nc1ccnc(OCc2ccccc2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000505823417 914478961 /nfs/dbraw/zinc/47/89/61/914478961.db2.gz HWSZMDDOKBLKAF-UHFFFAOYSA-N 0 0 404.426 4.159 20 5 HIBDRN CCO[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C12CCCCC2 ZINC000485535371 900813479 /nfs/dbraw/zinc/81/34/79/900813479.db2.gz BGWSHQBKHIKXGU-MOPGFXCFSA-N 0 0 422.547 4.191 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000485589955 900852509 /nfs/dbraw/zinc/85/25/09/900852509.db2.gz HPKBJEAPRJZTPN-VBKZILBWSA-N 0 0 411.845 4.316 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000485620383 900875946 /nfs/dbraw/zinc/87/59/46/900875946.db2.gz MCDXMKMSJSXHAI-FZMZJTMJSA-N 0 0 416.783 4.478 20 5 HIBDRN Cc1c(C)n(-c2cccc(C)c2)c2ncnc(NC(=O)c3cc([N+](=O)[O-])cnc3C)c12 ZINC000485674059 900924390 /nfs/dbraw/zinc/92/43/90/900924390.db2.gz OPASVJNVBJJNBH-UHFFFAOYSA-N 0 0 416.441 4.210 20 5 HIBDRN CC1(C)[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000485678550 900931582 /nfs/dbraw/zinc/93/15/82/900931582.db2.gz LAUQVWNIXRLRDB-UIFIKXQLSA-N 0 0 410.470 4.107 20 5 HIBDRN O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000485719095 900967161 /nfs/dbraw/zinc/96/71/61/900967161.db2.gz FTBQVKXWLJMFMY-UHFFFAOYSA-N 0 0 421.363 4.373 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)c(Br)cc2F)cc([N+](=O)[O-])c1C ZINC000485722364 900971568 /nfs/dbraw/zinc/97/15/68/900971568.db2.gz XKSZFWNKJPPIPD-UHFFFAOYSA-N 0 0 401.163 4.205 20 5 HIBDRN Cc1cc(Br)cc(Cl)c1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000485723054 900973572 /nfs/dbraw/zinc/97/35/72/900973572.db2.gz DZZQIQAMEPTZJQ-UHFFFAOYSA-N 0 0 409.627 4.448 20 5 HIBDRN CC(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c(C)nc1C ZINC000485731898 900983820 /nfs/dbraw/zinc/98/38/20/900983820.db2.gz IQYHMPPSILFPOS-UHFFFAOYSA-N 0 0 417.421 4.293 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1[N+](=O)[O-] ZINC000485736897 900990837 /nfs/dbraw/zinc/99/08/37/900990837.db2.gz JLCBTGZAOCLYHP-SFHVURJKSA-N 0 0 402.472 4.215 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCN(c2cccs2)CC1 ZINC000485743520 900998647 /nfs/dbraw/zinc/99/86/47/900998647.db2.gz MMUDFAIEWGMYNK-UHFFFAOYSA-N 0 0 423.494 4.198 20 5 HIBDRN CCOc1c(Cl)cc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1OC ZINC000485746801 901002506 /nfs/dbraw/zinc/00/25/06/901002506.db2.gz JUVRXMFHPWOXPE-UHFFFAOYSA-N 0 0 410.879 4.307 20 5 HIBDRN COc1cc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])ccc1C ZINC000485751141 901007160 /nfs/dbraw/zinc/00/71/60/901007160.db2.gz IENWWEPEFUBCNL-UHFFFAOYSA-N 0 0 406.438 4.421 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000485762492 901019363 /nfs/dbraw/zinc/01/93/63/901019363.db2.gz ISCCSLJXYLXAPC-UHFFFAOYSA-N 0 0 414.405 4.326 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000485771248 901027652 /nfs/dbraw/zinc/02/76/52/901027652.db2.gz CJLUDXIWOSSGMI-JOCHJYFZSA-N 0 0 422.391 4.198 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1N1CCCC1 ZINC000485816543 901064696 /nfs/dbraw/zinc/06/46/96/901064696.db2.gz OMJZKZHGNADCSR-OAHLLOKOSA-N 0 0 416.909 4.307 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000485823687 901071194 /nfs/dbraw/zinc/07/11/94/901071194.db2.gz JNPCGYDDKWOREW-INIZCTEOSA-N 0 0 401.894 4.466 20 5 HIBDRN COc1cc(C(=O)N2CCC(=O)[C@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000505857786 914505037 /nfs/dbraw/zinc/50/50/37/914505037.db2.gz VNPPAAXEGNNVGJ-GFCCVEGCSA-N 0 0 418.833 4.100 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000485868195 901107851 /nfs/dbraw/zinc/10/78/51/901107851.db2.gz ZJGIQYVAHAEFEI-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN O=C(Nc1cccc(Oc2cccnn2)c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000485884207 901119447 /nfs/dbraw/zinc/11/94/47/901119447.db2.gz PZESXIOIAMWBBN-UHFFFAOYSA-N 0 0 421.232 4.253 20 5 HIBDRN CCC(CC)c1cc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])on1 ZINC000485896930 901129307 /nfs/dbraw/zinc/12/93/07/901129307.db2.gz HTACUZGLFHDIIS-UHFFFAOYSA-N 0 0 402.270 4.240 20 5 HIBDRN C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000485910220 901137673 /nfs/dbraw/zinc/13/76/73/901137673.db2.gz YUQDSECDKZSQEP-SNVBAGLBSA-N 0 0 421.276 4.096 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000505864271 914510424 /nfs/dbraw/zinc/51/04/24/914510424.db2.gz KGQFGBOYLOTRTO-YDHLFZDLSA-N 0 0 416.396 4.072 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2occc2COc2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000485938470 901160958 /nfs/dbraw/zinc/16/09/58/901160958.db2.gz GAYRZHOXVRXAKR-UHFFFAOYSA-N 0 0 410.382 4.114 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000505864270 914511465 /nfs/dbraw/zinc/51/14/65/914511465.db2.gz KGQFGBOYLOTRTO-NFAWXSAZSA-N 0 0 416.396 4.072 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(Br)cc2)c(C)c([N+](=O)[O-])c1 ZINC000485960764 901177542 /nfs/dbraw/zinc/17/75/42/901177542.db2.gz ZSOQIJGSWUDEQV-JTQLQIEISA-N 0 0 421.247 4.195 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000485961087 901178535 /nfs/dbraw/zinc/17/85/35/901178535.db2.gz XBIWWMUNPKEHAW-KGLIPLIRSA-N 0 0 422.359 4.451 20 5 HIBDRN O=[N+]([O-])c1ccn(C2CCN(c3nc4ccccc4c(-c4ccccc4)n3)CC2)n1 ZINC000486012320 901221104 /nfs/dbraw/zinc/22/11/04/901221104.db2.gz BNDBHYMZPKZIMU-UHFFFAOYSA-N 0 0 400.442 4.243 20 5 HIBDRN Cc1ccnc2ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])cc12 ZINC000505869322 914517540 /nfs/dbraw/zinc/51/75/40/914517540.db2.gz XJMVOQDCBWZMLG-FQEVSTJZSA-N 0 0 421.453 4.264 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)s1 ZINC000486034713 901238883 /nfs/dbraw/zinc/23/88/83/901238883.db2.gz HTUOFFUPNADTQT-BZUAXINKSA-N 0 0 406.529 4.222 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(OC)c1OC(F)F ZINC000486041395 901243304 /nfs/dbraw/zinc/24/33/04/901243304.db2.gz FODVPQXTWMUSQM-UHFFFAOYSA-N 0 0 422.384 4.018 20 5 HIBDRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486047152 901247216 /nfs/dbraw/zinc/24/72/16/901247216.db2.gz UPGSLWCREOBHRZ-HNNXBMFYSA-N 0 0 407.474 4.424 20 5 HIBDRN O=C(Cc1cc(Br)ccc1F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486067445 901260537 /nfs/dbraw/zinc/26/05/37/901260537.db2.gz HCHBBPBFYYNHQS-UHFFFAOYSA-N 0 0 407.239 4.230 20 5 HIBDRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000486072989 901264975 /nfs/dbraw/zinc/26/49/75/901264975.db2.gz YSLPIVLSBRXTFK-KRWDZBQOSA-N 0 0 410.470 4.075 20 5 HIBDRN O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486094550 901283172 /nfs/dbraw/zinc/28/31/72/901283172.db2.gz URONCWSLXGRPIE-KIFXHHALSA-N 0 0 414.461 4.490 20 5 HIBDRN O=C(NCc1ccn(C2CCCC2)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486101758 901288816 /nfs/dbraw/zinc/28/88/16/901288816.db2.gz PMVPKSMKLCVJHR-UHFFFAOYSA-N 0 0 420.469 4.415 20 5 HIBDRN CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000486104179 901291492 /nfs/dbraw/zinc/29/14/92/901291492.db2.gz JEICCJQPCYMKKS-INIZCTEOSA-N 0 0 421.563 4.111 20 5 HIBDRN O=C(NCCc1c[nH]c2ncccc12)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486107801 901295074 /nfs/dbraw/zinc/29/50/74/901295074.db2.gz JLBDNZYRVHZJCH-UHFFFAOYSA-N 0 0 416.437 4.023 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccccc1OC(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486117714 901303767 /nfs/dbraw/zinc/30/37/67/901303767.db2.gz IAKZCFJAEWPTSI-ZWKOTPCHSA-N 0 0 402.397 4.491 20 5 HIBDRN Cc1cnc([C@H](C)CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])s1 ZINC000486119307 901306665 /nfs/dbraw/zinc/30/66/65/901306665.db2.gz UYBFFHIIIJQCOD-CQSZACIVSA-N 0 0 411.483 4.472 20 5 HIBDRN O=C(c1ccnc(SCC(F)(F)F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486122960 901309448 /nfs/dbraw/zinc/30/94/48/901309448.db2.gz RXTXNPMJULSSBL-UHFFFAOYSA-N 0 0 411.405 4.449 20 5 HIBDRN Cc1cc(C)n(Cc2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)n1 ZINC000486147476 901334447 /nfs/dbraw/zinc/33/44/47/901334447.db2.gz GMGBMIVQOJOPMX-UHFFFAOYSA-N 0 0 404.470 4.261 20 5 HIBDRN O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486154650 901342095 /nfs/dbraw/zinc/34/20/95/901342095.db2.gz RYNNFNWXRGIPNE-UHFFFAOYSA-N 0 0 404.426 4.327 20 5 HIBDRN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486157579 901344622 /nfs/dbraw/zinc/34/46/22/901344622.db2.gz UAKGTYVGLLACCJ-GFCCVEGCSA-N 0 0 424.320 4.160 20 5 HIBDRN Cc1cnn(-c2ccccc2)c1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486188807 901373145 /nfs/dbraw/zinc/37/31/45/901373145.db2.gz 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Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000486261915 901444931 /nfs/dbraw/zinc/44/49/31/901444931.db2.gz OMWLILQNUSCEJF-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000486268522 901451474 /nfs/dbraw/zinc/45/14/74/901451474.db2.gz KSJPFRKTIYACPN-QUCCMNQESA-N 0 0 410.470 4.214 20 5 HIBDRN COC(=O)c1c(C)c(NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1Br ZINC000486325461 901502214 /nfs/dbraw/zinc/50/22/14/901502214.db2.gz KVVFNBGKMHFHIT-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccccc2C)n1 ZINC000486371137 901537284 /nfs/dbraw/zinc/53/72/84/901537284.db2.gz KMWJHTCQOJSLGE-AWEZNQCLSA-N 0 0 414.849 4.457 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000486392810 901555883 /nfs/dbraw/zinc/55/58/83/901555883.db2.gz HQVOGJSMPHTSEW-UHFFFAOYSA-N 0 0 419.547 4.008 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000486403065 901564318 /nfs/dbraw/zinc/56/43/18/901564318.db2.gz FRKHNBHOJHUZIB-INIZCTEOSA-N 0 0 402.472 4.130 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000486416069 901574668 /nfs/dbraw/zinc/57/46/68/901574668.db2.gz CEZTYWGPTQQFAB-HNNXBMFYSA-N 0 0 400.378 4.359 20 5 HIBDRN C[C@H]1COC[C@@H](c2ccccc2)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486425295 901583484 /nfs/dbraw/zinc/58/34/84/901583484.db2.gz MWTVKBFHBRLIBR-GWCFXTLKSA-N 0 0 411.277 4.021 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000486436583 901594811 /nfs/dbraw/zinc/59/48/11/901594811.db2.gz QVZDOURYWJOGTO-AWEZNQCLSA-N 0 0 408.863 4.004 20 5 HIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(NCc2nc(-c3cc(F)c(F)c(F)c3)no2)c1 ZINC000486454224 901613401 /nfs/dbraw/zinc/61/34/01/901613401.db2.gz YDPNPAMGXALFMT-UHFFFAOYSA-N 0 0 416.262 4.276 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000486465343 901625486 /nfs/dbraw/zinc/62/54/86/901625486.db2.gz 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CCCc1nc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)s1 ZINC000486679891 901792241 /nfs/dbraw/zinc/79/22/41/901792241.db2.gz WNIBULVDRJTALJ-UHFFFAOYSA-N 0 0 423.516 4.220 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000486701973 901803149 /nfs/dbraw/zinc/80/31/49/901803149.db2.gz BBEUSQBWXDGCGS-HUUCEWRRSA-N 0 0 400.303 4.312 20 5 HIBDRN CC(C)c1ncc(Cl)c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000486710692 901806791 /nfs/dbraw/zinc/80/67/91/901806791.db2.gz UUBUJRFGLVEIFO-UHFFFAOYSA-N 0 0 402.760 4.110 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)cc1Br ZINC000486713530 901809173 /nfs/dbraw/zinc/80/91/73/901809173.db2.gz ZUNDDVFGOQNSSW-UHFFFAOYSA-N 0 0 421.144 4.445 20 5 HIBDRN CC(C)(C)c1noc2ncc(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc21 ZINC000486713586 901809250 /nfs/dbraw/zinc/80/92/50/901809250.db2.gz SMLZPWJSLRLFNV-UHFFFAOYSA-N 0 0 422.363 4.377 20 5 HIBDRN Cc1nc(C(F)(F)F)ccc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486718353 901811373 /nfs/dbraw/zinc/81/13/73/901811373.db2.gz CYLLQAFDZCKQLA-UHFFFAOYSA-N 0 0 407.270 4.266 20 5 HIBDRN Cc1nn(CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1-c1ccccc1 ZINC000486719462 901811448 /nfs/dbraw/zinc/81/14/48/901811448.db2.gz XDKLLQWPCQHAAZ-UHFFFAOYSA-N 0 0 418.375 4.102 20 5 HIBDRN COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)o1 ZINC000486720720 901812832 /nfs/dbraw/zinc/81/28/32/901812832.db2.gz AOUQORTZAMORIY-UHFFFAOYSA-N 0 0 412.423 4.056 20 5 HIBDRN O=[N+]([O-])c1ccc(OCCSCc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1 ZINC000486758416 901834125 /nfs/dbraw/zinc/83/41/25/901834125.db2.gz YHDZGPCJSLWNME-UHFFFAOYSA-N 0 0 411.361 4.374 20 5 HIBDRN Cc1ccnc(-c2n[nH]c([C@@H](C)NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)c1 ZINC000486807335 901865694 /nfs/dbraw/zinc/86/56/94/901865694.db2.gz DQPHSMRYFXOEKO-CQSZACIVSA-N 0 0 404.430 4.194 20 5 HIBDRN O=C(Nc1cccc(Cl)c1Br)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000486834280 901885236 /nfs/dbraw/zinc/88/52/36/901885236.db2.gz 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0 0 401.875 4.337 20 5 HIBDRN Cc1cc(Br)ccc1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487304288 902143473 /nfs/dbraw/zinc/14/34/73/902143473.db2.gz ZVUDLQBWVHFXGO-UHFFFAOYSA-N 0 0 411.683 4.221 20 5 HIBDRN CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCSc2ccc(Br)cc21 ZINC000487319849 902152115 /nfs/dbraw/zinc/15/21/15/902152115.db2.gz HTEKRAXZAGAWFY-ZDUSSCGKSA-N 0 0 422.304 4.249 20 5 HIBDRN O=C(Nc1nnc2ccccn21)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000487356864 902161418 /nfs/dbraw/zinc/16/14/18/902161418.db2.gz RSJHUBKZUMTUEU-UHFFFAOYSA-N 0 0 409.789 4.336 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000487477790 902222288 /nfs/dbraw/zinc/22/22/88/902222288.db2.gz UUOKEHFNZHPSIP-OAHLLOKOSA-N 0 0 415.515 4.352 20 5 HIBDRN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000487615667 902252534 /nfs/dbraw/zinc/25/25/34/902252534.db2.gz FVJAUUKSTVCBMS-OAHLLOKOSA-N 0 0 416.437 4.240 20 5 HIBDRN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000487622212 902255175 /nfs/dbraw/zinc/25/51/75/902255175.db2.gz UUDWUDIZFIXPPG-OAHLLOKOSA-N 0 0 424.888 4.076 20 5 HIBDRN C[C@H]1CO[C@H](c2ccccc2Cl)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000487630690 902260785 /nfs/dbraw/zinc/26/07/85/902260785.db2.gz GNTJEBOEJFBWIP-BONVTDFDSA-N 0 0 412.671 4.372 20 5 HIBDRN CCN(C(=O)c1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1Cl)C(C)C ZINC000487681500 902289791 /nfs/dbraw/zinc/28/97/91/902289791.db2.gz YXVHZTFXXONYJO-UHFFFAOYSA-N 0 0 403.866 4.300 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)cc([N+](=O)[O-])c1 ZINC000487711043 902307662 /nfs/dbraw/zinc/30/76/62/902307662.db2.gz RVUMRQFBPHWSRX-UHFFFAOYSA-N 0 0 407.382 4.129 20 5 HIBDRN CCN(C(=O)c1cc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])ccc1Cl)C(C)C ZINC000487715675 902312463 /nfs/dbraw/zinc/31/24/63/902312463.db2.gz CPNZYBVQQHVUAR-UHFFFAOYSA-N 0 0 419.865 4.380 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1SCCc2ccccc21 ZINC000487832699 902395443 /nfs/dbraw/zinc/39/54/43/902395443.db2.gz GVKYFSZTQAHSHU-QHCPKHFHSA-N 0 0 414.530 4.302 20 5 HIBDRN CC[C@H](NC(=O)COc1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000487862384 902413408 /nfs/dbraw/zinc/41/34/08/902413408.db2.gz SPZNPYWVCUJQPW-HNNXBMFYSA-N 0 0 411.227 4.143 20 5 HIBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccccc1I ZINC000505963842 914624026 /nfs/dbraw/zinc/62/40/26/914624026.db2.gz GRVVTGPRDLUHCS-INIZCTEOSA-N 0 0 422.222 4.177 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(SCc2nc(C)no2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000487896172 902436316 /nfs/dbraw/zinc/43/63/16/902436316.db2.gz NFNCYXMXXVVCML-GOSISDBHSA-N 0 0 412.471 4.460 20 5 HIBDRN C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000487924644 902455277 /nfs/dbraw/zinc/45/52/77/902455277.db2.gz UHIKGXDLMHTEHP-HNNXBMFYSA-N 0 0 416.909 4.451 20 5 HIBDRN CC(C)COC[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccco1 ZINC000487949025 902478464 /nfs/dbraw/zinc/47/84/64/902478464.db2.gz QMHZIVARQZHSJU-IBGZPJMESA-N 0 0 401.463 4.276 20 5 HIBDRN Cc1noc(CSc2ccc(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 ZINC000488010692 902531600 /nfs/dbraw/zinc/53/16/00/902531600.db2.gz QMBAALMJLOHHJR-ZDUSSCGKSA-N 0 0 412.471 4.378 20 5 HIBDRN C[C@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000488013243 902532637 /nfs/dbraw/zinc/53/26/37/902532637.db2.gz VZESDLCLOSYRNI-SCLBCKFNSA-N 0 0 423.391 4.285 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2c[nH]cc2-c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000488033787 902551722 /nfs/dbraw/zinc/55/17/22/902551722.db2.gz KDJBLFWMWBZWRF-AWEZNQCLSA-N 0 0 407.426 4.161 20 5 HIBDRN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488036396 902554203 /nfs/dbraw/zinc/55/42/03/902554203.db2.gz RARPTJXILBQTMQ-XLIONFOSSA-N 0 0 411.502 4.234 20 5 HIBDRN CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000488037249 902556425 /nfs/dbraw/zinc/55/64/25/902556425.db2.gz DKISEZBKISOAQL-ACJLOTCBSA-N 0 0 403.866 4.001 20 5 HIBDRN COc1ccc(Br)cc1CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488044057 902560498 /nfs/dbraw/zinc/56/04/98/902560498.db2.gz OTCKAIMGUBLRTN-LBPRGKRZSA-N 0 0 407.264 4.094 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000488053232 902566877 /nfs/dbraw/zinc/56/68/77/902566877.db2.gz TZIVNNOVCWBACM-OAHLLOKOSA-N 0 0 402.878 4.482 20 5 HIBDRN COc1ccc(-c2noc(CCCC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000488094395 902598884 /nfs/dbraw/zinc/59/88/84/902598884.db2.gz QDIBVDQVWOEPJQ-HNNXBMFYSA-N 0 0 424.457 4.162 20 5 HIBDRN CNC(=O)c1cc(Oc2cccc(Oc3c4ccccc4ncc3[N+](=O)[O-])c2)ccn1 ZINC000488100947 902604616 /nfs/dbraw/zinc/60/46/16/902604616.db2.gz TXEOWDZDVLGFHG-UHFFFAOYSA-N 0 0 416.393 4.482 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC1CCCCC1 ZINC000488122024 902621194 /nfs/dbraw/zinc/62/11/94/902621194.db2.gz YGKSFYWBSWPCGY-CQSZACIVSA-N 0 0 408.520 4.339 20 5 HIBDRN O=C(c1cc2sccc2s1)N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488127789 902626606 /nfs/dbraw/zinc/62/66/06/902626606.db2.gz QSWBPAKYMNQCRK-UHFFFAOYSA-N 0 0 424.507 4.382 20 5 HIBDRN Cc1c(NCc2c(Cl)cccc2[N+](=O)[O-])cccc1C(=O)N1CCSCC1 ZINC000488155049 902648665 /nfs/dbraw/zinc/64/86/65/902648665.db2.gz VZQBQXJOXXVXFU-UHFFFAOYSA-N 0 0 405.907 4.358 20 5 HIBDRN Cc1cc(C(=O)N2CCSCC2)ccc1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000488153983 902648932 /nfs/dbraw/zinc/64/89/32/902648932.db2.gz ULZYLSPDZQMMGI-UHFFFAOYSA-N 0 0 405.907 4.358 20 5 HIBDRN O=C(NCCCOC1CCOCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488190957 902677219 /nfs/dbraw/zinc/67/72/19/902677219.db2.gz GKLXQGWRXNNRAG-UHFFFAOYSA-N 0 0 416.499 4.062 20 5 HIBDRN Cc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n(-c2cc(C)ccn2)n1 ZINC000488204734 902687494 /nfs/dbraw/zinc/68/74/94/902687494.db2.gz XUQWLOAVOMXUHY-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN Cc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)C1CC1 ZINC000488218059 902697996 /nfs/dbraw/zinc/69/79/96/902697996.db2.gz LZXATFAGJOYZET-OAQYLSRUSA-N 0 0 415.515 4.251 20 5 HIBDRN O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000488240029 902715794 /nfs/dbraw/zinc/71/57/94/902715794.db2.gz ZGCUXUGRONXYIX-IBGZPJMESA-N 0 0 418.449 4.122 20 5 HIBDRN COc1ccccc1-c1cccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000488260106 902732019 /nfs/dbraw/zinc/73/20/19/902732019.db2.gz HHMBOWPLSWLCQN-UHFFFAOYSA-N 0 0 421.457 4.336 20 5 HIBDRN COc1cc(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000488277674 902742448 /nfs/dbraw/zinc/74/24/48/902742448.db2.gz LCHCPCXSESMCAJ-LJQANCHMSA-N 0 0 420.465 4.368 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000488297017 902758873 /nfs/dbraw/zinc/75/88/73/902758873.db2.gz STTZWANMRDGGEG-HNNXBMFYSA-N 0 0 407.517 4.013 20 5 HIBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488326076 902765147 /nfs/dbraw/zinc/76/51/47/902765147.db2.gz KQNJHNJYWNPZDE-UHFFFAOYSA-N 0 0 413.865 4.022 20 5 HIBDRN C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000488372396 902785824 /nfs/dbraw/zinc/78/58/24/902785824.db2.gz ORSPAQWBYHZCOW-SJKOYZFVSA-N 0 0 409.895 4.024 20 5 HIBDRN CN(Cc1c(F)cccc1Cl)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488375014 902788733 /nfs/dbraw/zinc/78/87/33/902788733.db2.gz STDOOUKQWLVZCT-UHFFFAOYSA-N 0 0 400.237 4.425 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1nccs1)c1ccccc1 ZINC000488374402 902788814 /nfs/dbraw/zinc/78/88/14/902788814.db2.gz RWIZCPKVBYWBGJ-QGZVFWFLSA-N 0 0 416.890 4.336 20 5 HIBDRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000488385827 902797028 /nfs/dbraw/zinc/79/70/28/902797028.db2.gz QKDWJDVXNNNLAC-UHFFFAOYSA-N 0 0 422.528 4.039 20 5 HIBDRN CC1(C)CCc2nc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)ncc2C1 ZINC000488404407 902810929 /nfs/dbraw/zinc/81/09/29/902810929.db2.gz FKXPESAHXBXAPZ-UHFFFAOYSA-N 0 0 409.471 4.276 20 5 HIBDRN CN(Cc1nc2ccccc2n1C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000488466100 902838652 /nfs/dbraw/zinc/83/86/52/902838652.db2.gz PGIOOEINVKOFMI-UHFFFAOYSA-N 0 0 415.322 4.167 20 5 HIBDRN O=C(NCCCO[C@H]1CCCc2ccccc21)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000505993121 914662256 /nfs/dbraw/zinc/66/22/56/914662256.db2.gz QMGVYOHZPKKSTF-NRFANRHFSA-N 0 0 421.453 4.063 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000488476155 902845795 /nfs/dbraw/zinc/84/57/95/902845795.db2.gz IWJWKGQHMOZRCL-MFKMUULPSA-N 0 0 412.393 4.289 20 5 HIBDRN CC(C)CCOc1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000488504009 902860088 /nfs/dbraw/zinc/86/00/88/902860088.db2.gz WGFVBRYRWBAFPA-UHFFFAOYSA-N 0 0 401.467 4.085 20 5 HIBDRN O=C(Nc1ccc(COC2CCCC2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488525079 902869666 /nfs/dbraw/zinc/86/96/66/902869666.db2.gz ZGPXOAIGZYTJIC-UHFFFAOYSA-N 0 0 413.478 4.120 20 5 HIBDRN CCC(=O)Nc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c1 ZINC000488572877 902887653 /nfs/dbraw/zinc/88/76/53/902887653.db2.gz YVJIVKPNWSVOCF-UHFFFAOYSA-N 0 0 417.487 4.243 20 5 HIBDRN Cc1ccn(-c2ccccc2CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000488694193 902948284 /nfs/dbraw/zinc/94/82/84/902948284.db2.gz FFLHZOVOKXPVTL-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN COc1ccc([C@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(F)(F)F)cc1 ZINC000506007216 914679015 /nfs/dbraw/zinc/67/90/15/914679015.db2.gz KVTHCXGIJXZNIW-INIZCTEOSA-N 0 0 408.336 4.047 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N(CC1CC1)C1CCCCC1 ZINC000488732028 902969628 /nfs/dbraw/zinc/96/96/28/902969628.db2.gz YKFJJLPJPREWLS-UHFFFAOYSA-N 0 0 417.325 4.091 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1CSc1nnc(N2CCCC2)n1Cc1ccco1 ZINC000488747995 902977270 /nfs/dbraw/zinc/97/72/70/902977270.db2.gz PIMLEALMXYOAFJ-UHFFFAOYSA-N 0 0 419.894 4.374 20 5 HIBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[C@H]1OCCc2sccc21 ZINC000488752202 902980369 /nfs/dbraw/zinc/98/03/69/902980369.db2.gz XPMWIKGPYBORSN-ORAYPTAESA-N 0 0 401.488 4.007 20 5 HIBDRN CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000488828444 903029444 /nfs/dbraw/zinc/02/94/44/903029444.db2.gz MCRJXORKLPLBGP-AWEZNQCLSA-N 0 0 400.479 4.208 20 5 HIBDRN Cn1ccnc1-c1csc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000488941747 903089675 /nfs/dbraw/zinc/08/96/75/903089675.db2.gz TVXZKQAYXSAVCN-UHFFFAOYSA-N 0 0 420.454 4.448 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCc2ccc(F)c(F)c2C1 ZINC000488969643 903101045 /nfs/dbraw/zinc/10/10/45/903101045.db2.gz QJLZSSYEGYYTHK-UHFFFAOYSA-N 0 0 404.416 4.018 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N(C)CCOc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000506013077 914688129 /nfs/dbraw/zinc/68/81/29/914688129.db2.gz UVSATVKDKNKYGR-QGZVFWFLSA-N 0 0 420.469 4.314 20 5 HIBDRN CC[C@H](C)[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000489038601 903142897 /nfs/dbraw/zinc/14/28/97/903142897.db2.gz HZFYBSDVVZZUSS-UFBFGSQYSA-N 0 0 401.307 4.390 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-])c1ccccn1 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Cc1ccc(C)c(SCc2cccc(C(=O)NCCn3cc([N+](=O)[O-])cn3)c2)c1 ZINC000491009161 904368327 /nfs/dbraw/zinc/36/83/27/904368327.db2.gz ZRFJIGSKQHHQNE-UHFFFAOYSA-N 0 0 410.499 4.130 20 5 HIBDRN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491020577 904373147 /nfs/dbraw/zinc/37/31/47/904373147.db2.gz NQHPIQLNNJSOIT-AVRDEDQJSA-N 0 0 409.486 4.437 20 5 HIBDRN O=C(NCc1cc(Br)ccc1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000506106386 914805497 /nfs/dbraw/zinc/80/54/97/914805497.db2.gz ATNGVAICIVALTB-UHFFFAOYSA-N 0 0 421.144 4.445 20 5 HIBDRN CO[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000506128161 914815247 /nfs/dbraw/zinc/81/52/47/914815247.db2.gz AKPFWXGKJZYVFL-KSFYIVLOSA-N 0 0 420.469 4.280 20 5 HIBDRN C[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Oc1ccccc1Cl ZINC000491321931 904535763 /nfs/dbraw/zinc/53/57/63/904535763.db2.gz HBYKRXUUJBWIKN-CQSZACIVSA-N 0 0 403.866 4.390 20 5 HIBDRN CO[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)cc1 ZINC000491331136 904540877 /nfs/dbraw/zinc/54/08/77/904540877.db2.gz DTDSBOZYRQNYOC-LJQANCHMSA-N 0 0 403.866 4.310 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3nnc(-c4ccco4)s3)cc2[N+](=O)[O-])C1 ZINC000491335498 904544311 /nfs/dbraw/zinc/54/43/11/904544311.db2.gz YLEJYDWASNSQCJ-LBPRGKRZSA-N 0 0 413.459 4.195 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC000491393056 904574152 /nfs/dbraw/zinc/57/41/52/904574152.db2.gz BTAPVNVDZFDLPY-UHFFFAOYSA-N 0 0 402.472 4.262 20 5 HIBDRN O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000491455118 904604070 /nfs/dbraw/zinc/60/40/70/904604070.db2.gz GEFCIPPRKXBYDW-UHFFFAOYSA-N 0 0 406.435 4.093 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NCc2ccc(F)cc2F)cc1[N+](=O)[O-])c1ccccn1 ZINC000506165267 914830797 /nfs/dbraw/zinc/83/07/97/914830797.db2.gz SNFKHRVRDSNWOF-CYBMUJFWSA-N 0 0 412.396 4.371 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000506173747 914832546 /nfs/dbraw/zinc/83/25/46/914832546.db2.gz NSHDDJGYQILUNG-UHFFFAOYSA-N 0 0 419.478 4.325 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)c1 ZINC000491749973 904690989 /nfs/dbraw/zinc/69/09/89/904690989.db2.gz SDPCVIQFJATBSW-UHFFFAOYSA-N 0 0 402.472 4.262 20 5 HIBDRN CCOc1cc(CSc2nnc(Cc3cccc(OC)c3)o2)ccc1[N+](=O)[O-] ZINC000492024207 904765898 /nfs/dbraw/zinc/76/58/98/904765898.db2.gz PBWNOPKDMWNZEE-UHFFFAOYSA-N 0 0 401.444 4.268 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000492207218 904815004 /nfs/dbraw/zinc/81/50/04/904815004.db2.gz IZAUYYRLYGBVFZ-UHFFFAOYSA-N 0 0 411.458 4.118 20 5 HIBDRN CN1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000492265258 904825624 /nfs/dbraw/zinc/82/56/24/904825624.db2.gz DGIWKEQIACLOOV-HKUYNNGSSA-N 0 0 401.894 4.087 20 5 HIBDRN COc1cc([C@@H](NCc2c(F)cccc2[N+](=O)[O-])C(F)(F)F)cc(OC)c1OC ZINC000492491612 904859491 /nfs/dbraw/zinc/85/94/91/904859491.db2.gz SYOSUFULERYACL-QGZVFWFLSA-N 0 0 418.343 4.153 20 5 HIBDRN Cc1nc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)sc1C ZINC000492528975 904864209 /nfs/dbraw/zinc/86/42/09/904864209.db2.gz PLRSLGNLPSBXIP-UHFFFAOYSA-N 0 0 410.499 4.253 20 5 HIBDRN CCOc1cc(CN2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000492697978 904891055 /nfs/dbraw/zinc/89/10/55/904891055.db2.gz SNBLWZQNQHZORJ-SFHVURJKSA-N 0 0 423.469 4.134 20 5 HIBDRN Cc1noc(CSc2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)n1 ZINC000492765180 904899921 /nfs/dbraw/zinc/89/99/21/904899921.db2.gz CQWRRIAZIBCMBE-UHFFFAOYSA-N 0 0 424.482 4.383 20 5 HIBDRN COc1ccc(CN(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC(F)F ZINC000506233545 914855594 /nfs/dbraw/zinc/85/55/94/914855594.db2.gz HGIJBFUBQQIBDV-UHFFFAOYSA-N 0 0 418.343 4.438 20 5 HIBDRN COc1cc(CN(C)Cc2cc(Br)ccc2F)c([N+](=O)[O-])cc1OC ZINC000506232781 914856091 /nfs/dbraw/zinc/85/60/91/914856091.db2.gz KYWSPSUSTWMODK-UHFFFAOYSA-N 0 0 413.243 4.146 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000492913689 904950949 /nfs/dbraw/zinc/95/09/49/904950949.db2.gz QXVWWZGPFNQLBK-INIZCTEOSA-N 0 0 410.474 4.412 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000493003772 904982536 /nfs/dbraw/zinc/98/25/36/904982536.db2.gz NESNSXXTAWADAF-NVXWUHKLSA-N 0 0 403.504 4.417 20 5 HIBDRN COc1cccc(NC2CCN(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000493006164 904982679 /nfs/dbraw/zinc/98/26/79/904982679.db2.gz VBCZOTJUFZEIAZ-MRXNPFEDSA-N 0 0 412.490 4.259 20 5 HIBDRN CN(Cc1ccc(Br)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000493006822 904986323 /nfs/dbraw/zinc/98/63/23/904986323.db2.gz WJDZUKHVJZGRKX-UHFFFAOYSA-N 0 0 400.179 4.299 20 5 HIBDRN CC[C@H](NC(=O)N(Cc1cccs1)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000493036823 905000390 /nfs/dbraw/zinc/00/03/90/905000390.db2.gz WTDYRYPIEQZBHZ-MJGOQNOKSA-N 0 0 403.504 4.498 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000493073522 905010417 /nfs/dbraw/zinc/01/04/17/905010417.db2.gz AEGHZENVTUUTGI-BBWFWOEESA-N 0 0 412.490 4.400 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000493132786 905027713 /nfs/dbraw/zinc/02/77/13/905027713.db2.gz NIOLZGSJODCOPK-XFNCPJSQSA-N 0 0 403.504 4.104 20 5 HIBDRN O=C(c1ccc(I)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493184505 905045146 /nfs/dbraw/zinc/04/51/46/905045146.db2.gz WHEDMPDORIPICP-UHFFFAOYSA-N 0 0 422.222 4.004 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000493207446 905049600 /nfs/dbraw/zinc/04/96/00/905049600.db2.gz CUWIATDJUKYPOQ-SNVBAGLBSA-N 0 0 413.318 4.491 20 5 HIBDRN COCCOc1ccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000493241694 905063787 /nfs/dbraw/zinc/06/37/87/905063787.db2.gz ZGUUDFITVLMALX-ZDUSSCGKSA-N 0 0 407.854 4.465 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000493476468 905135773 /nfs/dbraw/zinc/13/57/73/905135773.db2.gz CTFDLNOQIDOSNA-OAHLLOKOSA-N 0 0 404.291 4.159 20 5 HIBDRN COc1cc(CNCc2coc(-c3ccccc3)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493736699 905207614 /nfs/dbraw/zinc/20/76/14/905207614.db2.gz PCBJGUOTPSYZMP-UHFFFAOYSA-N 0 0 419.384 4.192 20 5 HIBDRN COC(=O)c1ccccc1CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000493896417 905252810 /nfs/dbraw/zinc/25/28/10/905252810.db2.gz GDYURQJJXKDAFT-UHFFFAOYSA-N 0 0 415.421 4.007 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000493914969 905266147 /nfs/dbraw/zinc/26/61/47/905266147.db2.gz CBZJKCHDRLOWDC-OAHLLOKOSA-N 0 0 411.458 4.041 20 5 HIBDRN CSc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000493974413 905322171 /nfs/dbraw/zinc/32/21/71/905322171.db2.gz BEHKKUMSZRRYNS-NSHDSACASA-N 0 0 407.879 4.094 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2nnc(C3CCC3)n2c1 ZINC000493985856 905330017 /nfs/dbraw/zinc/33/00/17/905330017.db2.gz PNDWISRTRBSEDE-UHFFFAOYSA-N 0 0 417.878 4.289 20 5 HIBDRN CCn1ncc2ccc(NCc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])cc21 ZINC000494018265 905356656 /nfs/dbraw/zinc/35/66/56/905356656.db2.gz CIXOSDALBVWMFH-UHFFFAOYSA-N 0 0 406.389 4.229 20 5 HIBDRN COc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000512417339 921145467 /nfs/dbraw/zinc/14/54/67/921145467.db2.gz YIAFXUXCOJUZAP-CJNGLKHVSA-N 0 0 419.503 4.290 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000494105434 905442892 /nfs/dbraw/zinc/44/28/92/905442892.db2.gz KDJALTHIYLGTLA-RTBURBONSA-N 0 0 423.847 4.480 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000494105430 905442950 /nfs/dbraw/zinc/44/29/50/905442950.db2.gz KDJALTHIYLGTLA-MOPGFXCFSA-N 0 0 423.847 4.480 20 5 HIBDRN Cc1cc(C(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000494127682 905471334 /nfs/dbraw/zinc/47/13/34/905471334.db2.gz NSTPTLIJDANTFJ-AZUAARDMSA-N 0 0 403.429 4.135 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000494164757 905501041 /nfs/dbraw/zinc/50/10/41/905501041.db2.gz RKZMAYQHWVJJAT-QUCCMNQESA-N 0 0 403.429 4.135 20 5 HIBDRN CC(C)(C)NC(=O)c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000494195765 905529242 /nfs/dbraw/zinc/52/92/42/905529242.db2.gz RJVBOBJATSIJKE-UHFFFAOYSA-N 0 0 410.474 4.320 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)OCCO2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494209617 905539980 /nfs/dbraw/zinc/53/99/80/905539980.db2.gz SYCRVHAQZGVQHM-UHFFFAOYSA-N 0 0 403.822 4.216 20 5 HIBDRN C[C@@H](CCCC(F)(F)F)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000494317296 905631856 /nfs/dbraw/zinc/63/18/56/905631856.db2.gz VYCKBKLLBGIGLZ-QMMMGPOBSA-N 0 0 408.320 4.013 20 5 HIBDRN C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1nc(C2CCCCC2)no1 ZINC000494394637 905688803 /nfs/dbraw/zinc/68/88/03/905688803.db2.gz WBFDKYDUORUTIB-AWEZNQCLSA-N 0 0 413.478 4.461 20 5 HIBDRN C[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)Oc1ccccc1Cl ZINC000494402829 905694485 /nfs/dbraw/zinc/69/44/85/905694485.db2.gz DRMQXYJJBDJEMI-CQSZACIVSA-N 0 0 403.866 4.390 20 5 HIBDRN CC(C)(C)c1nc(CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cs1 ZINC000494429087 905716325 /nfs/dbraw/zinc/71/63/25/905716325.db2.gz HISNDVQEEUYCPK-UHFFFAOYSA-N 0 0 401.410 4.340 20 5 HIBDRN C[C@@H]1CCCN(Cc2csc(NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])n2)C1 ZINC000494445327 905729232 /nfs/dbraw/zinc/72/92/32/905729232.db2.gz QCSTURYSADMNQW-CQSZACIVSA-N 0 0 417.535 4.340 20 5 HIBDRN COc1cc(CNc2cnn([C@H](C)C3CC3)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000494452958 905735506 /nfs/dbraw/zinc/73/55/06/905735506.db2.gz KARSCVUZBVTBFG-LLVKDONJSA-N 0 0 414.384 4.324 20 5 HIBDRN CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1cccc(N2CCNC2=O)c1C ZINC000494516446 905807086 /nfs/dbraw/zinc/80/70/86/905807086.db2.gz UQZMDHQYDCOWIY-OAHLLOKOSA-N 0 0 400.504 4.416 20 5 HIBDRN CCN([C@H](C)Cc1ccsc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000494561739 905836891 /nfs/dbraw/zinc/83/68/91/905836891.db2.gz DKEHQSHKUXDZOB-LLVKDONJSA-N 0 0 422.450 4.317 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000494651119 905883844 /nfs/dbraw/zinc/88/38/44/905883844.db2.gz FTWNZHSCJGRWCB-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN CCOc1ccc([C@@H](C)NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1OCC ZINC000494663988 905888942 /nfs/dbraw/zinc/88/89/42/905888942.db2.gz HLXVEHOUAQJZRF-OAHLLOKOSA-N 0 0 411.458 4.224 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1nccc2ccccc21 ZINC000494686353 905899563 /nfs/dbraw/zinc/89/95/63/905899563.db2.gz BZTDTTZDTGYGRJ-UHFFFAOYSA-N 0 0 404.348 4.161 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])C1 ZINC000512508593 921206588 /nfs/dbraw/zinc/20/65/88/921206588.db2.gz JCUXJFQJCBSMFH-GJZGRUSLSA-N 0 0 411.458 4.101 20 5 HIBDRN COc1cc(Cl)ccc1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494882970 906059621 /nfs/dbraw/zinc/05/96/21/906059621.db2.gz MLPRECITGMHXIX-UHFFFAOYSA-N 0 0 417.771 4.275 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCCOc2ccccc21 ZINC000494907695 906082826 /nfs/dbraw/zinc/08/28/26/906082826.db2.gz GQKDGMWYHGKYCL-INIZCTEOSA-N 0 0 409.364 4.327 20 5 HIBDRN O=[N+]([O-])c1cccc([C@@H](Nc2ccc(N3CCCS3(=O)=O)cc2)c2ccccc2)c1 ZINC000495006117 906165826 /nfs/dbraw/zinc/16/58/26/906165826.db2.gz DVBNHVARVRMQJL-QFIPXVFZSA-N 0 0 423.494 4.336 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)Cc3cccc4[nH]ccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000495104246 906242453 /nfs/dbraw/zinc/24/24/53/906242453.db2.gz XBJHRRUTDFMQEZ-UHFFFAOYSA-N 0 0 417.469 4.210 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000495189796 906298765 /nfs/dbraw/zinc/29/87/65/906298765.db2.gz IKXJWLRDDKNBNS-WFASDCNBSA-N 0 0 415.318 4.247 20 5 HIBDRN Cc1ccc(C[C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000495245277 906333063 /nfs/dbraw/zinc/33/30/63/906333063.db2.gz ZTZADHYRMRACOH-SNVBAGLBSA-N 0 0 401.410 4.414 20 5 HIBDRN Cc1ccc(-c2nc(/C=C3\CCn4c3nc3ccc([N+](=O)[O-])cc3c4=O)co2)cc1 ZINC000495254196 906342813 /nfs/dbraw/zinc/34/28/13/906342813.db2.gz NVCCBHBMJDGGQR-XNTDXEJSSA-N 0 0 400.394 4.212 20 5 HIBDRN CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000495355613 906396617 /nfs/dbraw/zinc/39/66/17/906396617.db2.gz NQLDKMAABUHGHF-OAHLLOKOSA-N 0 0 424.501 4.142 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000495682073 906524307 /nfs/dbraw/zinc/52/43/07/906524307.db2.gz FLSCPRUSKJPKKY-AWEZNQCLSA-N 0 0 410.898 4.356 20 5 HIBDRN Cc1csc(C2(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CCCC2)n1 ZINC000496279804 906647243 /nfs/dbraw/zinc/64/72/43/906647243.db2.gz AJABRGLILCILSM-GFCCVEGCSA-N 0 0 409.895 4.366 20 5 HIBDRN Cn1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000496553007 906708862 /nfs/dbraw/zinc/70/88/62/906708862.db2.gz LPEAJPKPTNMOFX-UHFFFAOYSA-N 0 0 419.363 4.212 20 5 HIBDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)CCC2 ZINC000497357388 906850841 /nfs/dbraw/zinc/85/08/41/906850841.db2.gz HCRRQJFWVGGBTJ-ZDUSSCGKSA-N 0 0 411.430 4.365 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000497361632 906853775 /nfs/dbraw/zinc/85/37/75/906853775.db2.gz FZYWNHZVKVIBKT-WMZOPIPTSA-N 0 0 406.385 4.155 20 5 HIBDRN Cc1cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(F)cc1Br ZINC000497441602 906914609 /nfs/dbraw/zinc/91/46/09/906914609.db2.gz MLIHZFFCKCKSMV-UHFFFAOYSA-N 0 0 408.227 4.395 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)CSc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000497446245 906920742 /nfs/dbraw/zinc/92/07/42/906920742.db2.gz XEENONGCWVCNPU-UHFFFAOYSA-N 0 0 401.469 4.458 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000497473741 906954411 /nfs/dbraw/zinc/95/44/11/906954411.db2.gz MFWGVBYJCSAKCU-AWEZNQCLSA-N 0 0 415.877 4.170 20 5 HIBDRN CS(=O)(=O)c1cccc(NCCCc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000497515074 907005449 /nfs/dbraw/zinc/00/54/49/907005449.db2.gz LCKKETFTPRNSOW-UHFFFAOYSA-N 0 0 402.394 4.062 20 5 HIBDRN O=C(Nc1cccc(Cl)c1OCC(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000497530066 907019889 /nfs/dbraw/zinc/01/98/89/907019889.db2.gz BCJRUPAFDYXXPJ-UHFFFAOYSA-N 0 0 411.792 4.482 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c2ncccc12 ZINC000497534109 907025616 /nfs/dbraw/zinc/02/56/16/907025616.db2.gz PHDGKFJZQKNVQY-GOSISDBHSA-N 0 0 401.369 4.322 20 5 HIBDRN Cn1ccnc1SCc1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000497573318 907059047 /nfs/dbraw/zinc/05/90/47/907059047.db2.gz RMDIQAITIXGWHU-UHFFFAOYSA-N 0 0 422.510 4.425 20 5 HIBDRN Cc1nnc(N(CCC(C)C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c2ccccc12 ZINC000497588340 907070039 /nfs/dbraw/zinc/07/00/39/907070039.db2.gz FSBXFDCWZNWIIH-UHFFFAOYSA-N 0 0 422.441 4.268 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000512704126 921292520 /nfs/dbraw/zinc/29/25/20/921292520.db2.gz XDVWSPAIYMKDNI-UHFFFAOYSA-N 0 0 417.372 4.012 20 5 HIBDRN CC(C)(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000497621348 907101201 /nfs/dbraw/zinc/10/12/01/907101201.db2.gz IKBYMCBITMUZRM-UHFFFAOYSA-N 0 0 403.287 4.256 20 5 HIBDRN CCOC(=O)C(C)(C)c1csc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000497643444 907130813 /nfs/dbraw/zinc/13/08/13/907130813.db2.gz RIIMEKKWSNHRMU-LBPRGKRZSA-N 0 0 420.491 4.083 20 5 HIBDRN COc1cc(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)c([N+](=O)[O-])cc1OC ZINC000512721015 921296559 /nfs/dbraw/zinc/29/65/59/921296559.db2.gz QUBIHKHUHMITCP-UHFFFAOYSA-N 0 0 411.389 4.374 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000497650287 907138875 /nfs/dbraw/zinc/13/88/75/907138875.db2.gz CNBDLYYUYBUGPZ-RTBURBONSA-N 0 0 403.866 4.010 20 5 HIBDRN O=C(NCC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497655076 907145576 /nfs/dbraw/zinc/14/55/76/907145576.db2.gz IOTOTZLVOPBJNC-UHFFFAOYSA-N 0 0 422.506 4.241 20 5 HIBDRN CC(C)c1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1 ZINC000497753962 907245007 /nfs/dbraw/zinc/24/50/07/907245007.db2.gz WJTAUIFKCJPFIK-UHFFFAOYSA-N 0 0 418.497 4.224 20 5 HIBDRN CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512775075 921309602 /nfs/dbraw/zinc/30/96/02/921309602.db2.gz OCGPZANIXBYKLN-UHFFFAOYSA-N 0 0 419.322 4.018 20 5 HIBDRN Cn1ccnc1Sc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497804820 907289508 /nfs/dbraw/zinc/28/95/08/907289508.db2.gz RVITWRDHPFBBJO-UHFFFAOYSA-N 0 0 420.397 4.333 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCCc3ccccc32)c(C(F)(F)F)c1 ZINC000497863381 907342394 /nfs/dbraw/zinc/34/23/94/907342394.db2.gz SSRUXAXMDOGYIM-UHFFFAOYSA-N 0 0 400.378 4.145 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)n2)cc1 ZINC000497872389 907348951 /nfs/dbraw/zinc/34/89/51/907348951.db2.gz VSTCWHDFRFHEGC-UHFFFAOYSA-N 0 0 415.496 4.363 20 5 HIBDRN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000497907631 907381271 /nfs/dbraw/zinc/38/12/71/907381271.db2.gz KFWRJOVSJLXJLW-HNNXBMFYSA-N 0 0 424.888 4.315 20 5 HIBDRN CC(C)N(Cc1cccc(Br)c1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000512816895 921321641 /nfs/dbraw/zinc/32/16/41/921321641.db2.gz WXLWMOWFSNBKDQ-UHFFFAOYSA-N 0 0 417.263 4.284 20 5 HIBDRN COc1cc(C(=O)N(C)C2CCCCC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000512821937 921325827 /nfs/dbraw/zinc/32/58/27/921325827.db2.gz SSMZRHZHIDUBAF-UHFFFAOYSA-N 0 0 405.476 4.044 20 5 HIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000497999105 907481143 /nfs/dbraw/zinc/48/11/43/907481143.db2.gz XNBSAKJHKIYLDY-CYBMUJFWSA-N 0 0 407.239 4.201 20 5 HIBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000498011513 907503588 /nfs/dbraw/zinc/50/35/88/907503588.db2.gz IBDNYQAFUSUVNM-ZDUSSCGKSA-N 0 0 407.239 4.201 20 5 HIBDRN Cc1sc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC000498025329 907523965 /nfs/dbraw/zinc/52/39/65/907523965.db2.gz GBAZSVPSQIJTIT-ZDUSSCGKSA-N 0 0 409.305 4.432 20 5 HIBDRN Cc1cc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc([N+](=O)[O-])c1 ZINC000498045397 907554805 /nfs/dbraw/zinc/55/48/05/907554805.db2.gz JDZVIRMQGGRBPR-OAHLLOKOSA-N 0 0 403.276 4.371 20 5 HIBDRN COc1cccc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000498051698 907562268 /nfs/dbraw/zinc/56/22/68/907562268.db2.gz DJDBTSJCDSHOMU-AWEZNQCLSA-N 0 0 419.275 4.071 20 5 HIBDRN CSc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1NC(C)=O ZINC000498136353 907656886 /nfs/dbraw/zinc/65/68/86/907656886.db2.gz SEGZLGWQRSJPRD-LJQANCHMSA-N 0 0 417.512 4.163 20 5 HIBDRN O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498149513 907671840 /nfs/dbraw/zinc/67/18/40/907671840.db2.gz LZQUDNFEUVXVIA-NRFANRHFSA-N 0 0 407.451 4.250 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000498149354 907672645 /nfs/dbraw/zinc/67/26/45/907672645.db2.gz IUJWPZAQJRCIIM-LJQANCHMSA-N 0 0 414.487 4.013 20 5 HIBDRN COCCn1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000498149582 907675167 /nfs/dbraw/zinc/67/51/67/907675167.db2.gz NRILHTQZNNWEKB-OAQYLSRUSA-N 0 0 411.483 4.084 20 5 HIBDRN O=C(CCc1ccc(OC(F)F)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498153143 907679421 /nfs/dbraw/zinc/67/94/21/907679421.db2.gz NBIZDBYCGIUKIV-SFHVURJKSA-N 0 0 408.426 4.403 20 5 HIBDRN COc1cc(CCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000498159318 907686655 /nfs/dbraw/zinc/68/66/55/907686655.db2.gz KTXBBMMEHHTLHC-LJQANCHMSA-N 0 0 406.891 4.464 20 5 HIBDRN C[C@@H](NC(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000498170223 907698706 /nfs/dbraw/zinc/69/87/06/907698706.db2.gz ASXIHQORHJAREN-GOSISDBHSA-N 0 0 420.465 4.473 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](C)Cc1ccc(OC)cc1 ZINC000498172999 907702460 /nfs/dbraw/zinc/70/24/60/907702460.db2.gz JSKHLRFHLRUJNO-CYBMUJFWSA-N 0 0 408.401 4.298 20 5 HIBDRN O=C(NCCc1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498178268 907709621 /nfs/dbraw/zinc/70/96/21/907709621.db2.gz KAUXYQGORKMPFM-UHFFFAOYSA-N 0 0 418.222 4.017 20 5 HIBDRN O=C(N[C@H](c1nccs1)c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498181062 907713566 /nfs/dbraw/zinc/71/35/66/907713566.db2.gz FZYBALGLWNBOPQ-HNNXBMFYSA-N 0 0 405.382 4.172 20 5 HIBDRN O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498187800 907720753 /nfs/dbraw/zinc/72/07/53/907720753.db2.gz MNVJBETYPDNKMP-UHFFFAOYSA-N 0 0 418.453 4.202 20 5 HIBDRN COc1cc2nc(C)sc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498233937 907766394 /nfs/dbraw/zinc/76/63/94/907766394.db2.gz XZBHCUKDAKVUIO-UHFFFAOYSA-N 0 0 409.370 4.375 20 5 HIBDRN O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498279855 907814853 /nfs/dbraw/zinc/81/48/53/907814853.db2.gz TXBDLVCEUPEHOE-GDBMZVCRSA-N 0 0 401.344 4.448 20 5 HIBDRN O=C(Nc1ccccn1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000498286142 907818910 /nfs/dbraw/zinc/81/89/10/907818910.db2.gz DUWYAYJCRJTNKR-UHFFFAOYSA-N 0 0 413.393 4.043 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)NCC(C)(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000498324664 907840680 /nfs/dbraw/zinc/84/06/80/907840680.db2.gz VZAPYPSWUNUBIN-UHFFFAOYSA-N 0 0 417.535 4.211 20 5 HIBDRN COc1cc(Br)cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000498328056 907842477 /nfs/dbraw/zinc/84/24/77/907842477.db2.gz HMQLFKIJASRJKF-UHFFFAOYSA-N 0 0 406.236 4.193 20 5 HIBDRN O=C(Nc1nc2cc(Br)ccc2[nH]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498331369 907843196 /nfs/dbraw/zinc/84/31/96/907843196.db2.gz AEVDVPDCARZPJQ-UHFFFAOYSA-N 0 0 412.203 4.034 20 5 HIBDRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1)n1cncn1 ZINC000498338925 907846993 /nfs/dbraw/zinc/84/69/93/907846993.db2.gz BLKCGUDDEDYFGX-NSHDSACASA-N 0 0 420.351 4.148 20 5 HIBDRN Cc1ccc(Cc2ccccn2)cc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512853778 921358495 /nfs/dbraw/zinc/35/84/95/921358495.db2.gz CHGJKWOXTDFSBF-UHFFFAOYSA-N 0 0 413.437 4.327 20 5 HIBDRN Cc1ccc(C)c(OCCCCC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000498371807 907863337 /nfs/dbraw/zinc/86/33/37/907863337.db2.gz 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Cn1c(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)nc2cc(Cl)ccc21 ZINC000501590429 910697246 /nfs/dbraw/zinc/69/72/46/910697246.db2.gz FUQZXZMRUGVGSN-UHFFFAOYSA-N 0 0 412.755 4.084 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000501604375 910708947 /nfs/dbraw/zinc/70/89/47/910708947.db2.gz XQERFASAOHRTEX-UHFFFAOYSA-N 0 0 420.922 4.166 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1Cc1ccccc1[N+](=O)[O-] ZINC000501693550 910764840 /nfs/dbraw/zinc/76/48/40/910764840.db2.gz XOMBIKJIYAMKLP-QFIPXVFZSA-N 0 0 406.486 4.030 20 5 HIBDRN CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2OC)CC2CC2)cc1[N+](=O)[O-] ZINC000501712545 910780699 /nfs/dbraw/zinc/78/06/99/910780699.db2.gz WNQQQBUCNAPXBI-UHFFFAOYSA-N 0 0 414.458 4.063 20 5 HIBDRN O=C(Nc1ccnc(OCc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000501754808 910814380 /nfs/dbraw/zinc/81/43/80/910814380.db2.gz JJODORRVOOGTNX-UHFFFAOYSA-N 0 0 415.352 4.423 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000501766181 910822005 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HKMCUZUEEQDWEK-IBGZPJMESA-N 0 0 406.442 4.331 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000501839688 910881025 /nfs/dbraw/zinc/88/10/25/910881025.db2.gz IYWQSRRWYPXFSQ-IBGZPJMESA-N 0 0 406.442 4.331 20 5 HIBDRN CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC2CCCC2)cc1[N+](=O)[O-] ZINC000513196077 921616112 /nfs/dbraw/zinc/61/61/12/921616112.db2.gz AUGXRFOSZGFEHH-UHFFFAOYSA-N 0 0 420.512 4.285 20 5 HIBDRN CC(C)c1ccc(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000501973435 910955620 /nfs/dbraw/zinc/95/56/20/910955620.db2.gz DJQRTAHCWQHOLV-FQEVSTJZSA-N 0 0 405.454 4.051 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccc(Br)cc2)c(Br)c1 ZINC000501994122 910966542 /nfs/dbraw/zinc/96/65/42/910966542.db2.gz LMXYQXUZGZEMHE-AWEZNQCLSA-N 0 0 416.069 4.265 20 5 HIBDRN Cc1cccc(C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)c1[N+](=O)[O-] ZINC000502077130 911019720 /nfs/dbraw/zinc/01/97/20/911019720.db2.gz AZZWRFBLQRMILX-UHFFFAOYSA-N 0 0 403.851 4.089 20 5 HIBDRN Cc1nc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)oc1-c1ccc(Cl)cc1 ZINC000502132521 911057467 /nfs/dbraw/zinc/05/74/67/911057467.db2.gz DLVMPVBTKSZDMN-UHFFFAOYSA-N 0 0 424.638 4.184 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000502137723 911063064 /nfs/dbraw/zinc/06/30/64/911063064.db2.gz BEUUSNZDBQGGAV-CQSZACIVSA-N 0 0 412.421 4.083 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000502304550 911268130 /nfs/dbraw/zinc/26/81/30/911268130.db2.gz MLLVZEVJJXPTLV-NRFANRHFSA-N 0 0 424.888 4.469 20 5 HIBDRN O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000502315143 911285710 /nfs/dbraw/zinc/28/57/10/911285710.db2.gz WVHKDMJVHVYDKQ-OAHLLOKOSA-N 0 0 400.362 4.290 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccccc2OC)cc1 ZINC000502397491 911381787 /nfs/dbraw/zinc/38/17/87/911381787.db2.gz AMDXZBVASQFGDF-OAQYLSRUSA-N 0 0 410.401 4.271 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2NC(C)=O)cc1[N+](=O)[O-] ZINC000513249321 921657304 /nfs/dbraw/zinc/65/73/04/921657304.db2.gz ONJDFCKXPSQMAJ-UHFFFAOYSA-N 0 0 410.352 4.256 20 5 HIBDRN C[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000502479444 911475808 /nfs/dbraw/zinc/47/58/08/911475808.db2.gz AAHJFARGQDYLOP-AAEUAGOBSA-N 0 0 422.268 4.132 20 5 HIBDRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000502534652 911539432 /nfs/dbraw/zinc/53/94/32/911539432.db2.gz QGFWSZIRYHTCHY-FQEVSTJZSA-N 0 0 424.428 4.222 20 5 HIBDRN Cc1nc([C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2F)no1 ZINC000513268905 921671919 /nfs/dbraw/zinc/67/19/19/921671919.db2.gz QWAHCTQUAURVCG-KRWDZBQOSA-N 0 0 412.402 4.159 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)n1 ZINC000502570602 911575892 /nfs/dbraw/zinc/57/58/92/911575892.db2.gz PVIYXAVHRLFURI-UHFFFAOYSA-N 0 0 404.260 4.072 20 5 HIBDRN CC[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000502653153 911694393 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ZINC000503100623 912068807 /nfs/dbraw/zinc/06/88/07/912068807.db2.gz RIEGCGNMYWXLTP-UHFFFAOYSA-N 0 0 404.422 4.142 20 5 HIBDRN Cc1c(CNC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cccc1[N+](=O)[O-] ZINC000503112030 912077035 /nfs/dbraw/zinc/07/70/35/912077035.db2.gz ZEUYRRSVSJLYJU-QZTJIDSGSA-N 0 0 424.284 4.010 20 5 HIBDRN CCCCCn1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)n1 ZINC000503119915 912083860 /nfs/dbraw/zinc/08/38/60/912083860.db2.gz QEQBQXDHZGOAOU-AWEZNQCLSA-N 0 0 408.886 4.027 20 5 HIBDRN Cc1ccccc1C1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000503167396 912139535 /nfs/dbraw/zinc/13/95/35/912139535.db2.gz RLCQSQPRCGWXBH-UHFFFAOYSA-N 0 0 407.392 4.182 20 5 HIBDRN CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000503220075 912202667 /nfs/dbraw/zinc/20/26/67/912202667.db2.gz XAWRUUTYQPPUTD-INIZCTEOSA-N 0 0 408.458 4.306 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000503223354 912205134 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0 0 403.866 4.481 20 5 HIBDRN CCc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CCO2)cc1 ZINC000506343325 914963040 /nfs/dbraw/zinc/96/30/40/914963040.db2.gz RPBCWWOZXZASJT-SFHVURJKSA-N 0 0 408.376 4.390 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(=O)OC)c1ccc(C)cc1 ZINC000506346981 914965141 /nfs/dbraw/zinc/96/51/41/914965141.db2.gz PXDSURBCBXCPES-GOSISDBHSA-N 0 0 416.499 4.092 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000506349006 914967088 /nfs/dbraw/zinc/96/70/88/914967088.db2.gz NYZIGJRQEXSMOS-HNNXBMFYSA-N 0 0 417.535 4.289 20 5 HIBDRN CN(C(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000513360189 921736126 /nfs/dbraw/zinc/73/61/26/921736126.db2.gz ZDAILNLJBXOLBF-UHFFFAOYSA-N 0 0 420.347 4.416 20 5 HIBDRN Cc1cc(N2CCCC2)ccc1NC(=O)COc1cc(C)c([N+](=O)[O-])cc1Cl ZINC000506432475 915034478 /nfs/dbraw/zinc/03/44/78/915034478.db2.gz JRHVRMARGXKXND-UHFFFAOYSA-N 0 0 403.866 4.483 20 5 HIBDRN Cc1noc2ncc(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)cc12 ZINC000506523869 915162181 /nfs/dbraw/zinc/16/21/81/915162181.db2.gz UVIJRIUZZCFSSB-CYBMUJFWSA-N 0 0 418.413 4.260 20 5 HIBDRN Cc1ccc(NC(=O)Cc2nc(COc3c(Cl)cncc3[N+](=O)[O-])cs2)cc1 ZINC000506541126 915184990 /nfs/dbraw/zinc/18/49/90/915184990.db2.gz VMNLIEPRYIECLR-UHFFFAOYSA-N 0 0 418.862 4.168 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000506543294 915188745 /nfs/dbraw/zinc/18/87/45/915188745.db2.gz VMEWLPJATKSZAR-QGZVFWFLSA-N 0 0 417.465 4.039 20 5 HIBDRN O=C(COc1c(Cl)cncc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl ZINC000506552665 915198724 /nfs/dbraw/zinc/19/87/24/915198724.db2.gz MIYUMUKFLINAQO-UHFFFAOYSA-N 0 0 410.135 4.333 20 5 HIBDRN O=[N+]([O-])c1cncc(Cl)c1OCc1nc(-c2cccc(Br)c2)no1 ZINC000506599157 915249165 /nfs/dbraw/zinc/24/91/65/915249165.db2.gz FIJOKTXLOQCGSI-UHFFFAOYSA-N 0 0 411.599 4.035 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] 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ZINC000518615208 927380792 /nfs/dbraw/zinc/38/07/92/927380792.db2.gz JLJHTTODZIXWIX-KRWDZBQOSA-N 0 0 421.453 4.215 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000518652505 927406112 /nfs/dbraw/zinc/40/61/12/927406112.db2.gz DEAKMOKTWIIFJU-UHFFFAOYSA-N 0 0 412.258 4.250 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2cccc(-c3ncc(C)o3)c2)cc1[N+](=O)[O-] ZINC000518728085 927458221 /nfs/dbraw/zinc/45/82/21/927458221.db2.gz FZLJCSHKDWXKQT-UHFFFAOYSA-N 0 0 413.455 4.439 20 5 HIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000518803794 927502347 /nfs/dbraw/zinc/50/23/47/927502347.db2.gz GMFQSCMIMYYDPN-INIZCTEOSA-N 0 0 417.195 4.394 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)Sc1ccc(Br)cc1 ZINC000518819168 927514845 /nfs/dbraw/zinc/51/48/45/927514845.db2.gz ARPBTJKMXKXFRA-VIFPVBQESA-N 0 0 401.307 4.329 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccccc1C(F)(F)F ZINC000518820091 927516498 /nfs/dbraw/zinc/51/64/98/927516498.db2.gz SMXGMGQSVQCUPE-JTQLQIEISA-N 0 0 402.756 4.351 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2ccc(C)cc21 ZINC000518822912 927520452 /nfs/dbraw/zinc/52/04/52/927520452.db2.gz LYKPIIGTELUEGC-IBGZPJMESA-N 0 0 400.500 4.449 20 5 HIBDRN CCCOCc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518856293 927562013 /nfs/dbraw/zinc/56/20/13/927562013.db2.gz NRXWBQWANCTOBH-CQSZACIVSA-N 0 0 406.866 4.259 20 5 HIBDRN Cc1cc(NC(=O)c2cc(C)nc3onc(C(C)C)c32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000518907602 927617250 /nfs/dbraw/zinc/61/72/50/927617250.db2.gz XBVQLQAREXCVFW-UHFFFAOYSA-N 0 0 420.429 4.309 20 5 HIBDRN COC(=O)c1ccc(Br)c(C)c1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000518954509 927653831 /nfs/dbraw/zinc/65/38/31/927653831.db2.gz BACZCFWBGRGJBP-SNVBAGLBSA-N 0 0 421.247 4.195 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)c1 ZINC000518963033 927661395 /nfs/dbraw/zinc/66/13/95/927661395.db2.gz BKWOWNUSKNRTOD-CQSZACIVSA-N 0 0 403.504 4.455 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)Cc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000519019078 927696943 /nfs/dbraw/zinc/69/69/43/927696943.db2.gz SJWSNBVQHAEJFI-DNVCBOLYSA-N 0 0 416.449 4.112 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cnn(-c4ccccc4)c3)cc2[N+](=O)[O-])C1 ZINC000519028184 927702803 /nfs/dbraw/zinc/70/28/03/927702803.db2.gz CMOBPQNYWAQUNK-MRXNPFEDSA-N 0 0 405.458 4.269 20 5 HIBDRN COc1cc(OCC(=O)N2CCC[C@@H]2c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000519060240 927739251 /nfs/dbraw/zinc/73/92/51/927739251.db2.gz POZUVUHTIOCUAZ-HXUWFJFHSA-N 0 0 406.438 4.499 20 5 HIBDRN Cc1n[nH]c(C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)c1[N+](=O)[O-] ZINC000519099489 927768882 /nfs/dbraw/zinc/76/88/82/927768882.db2.gz WRJVKUBBXYZYID-UHFFFAOYSA-N 0 0 421.295 4.064 20 5 HIBDRN Cc1[nH]nc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1[N+](=O)[O-] ZINC000519099242 927769323 /nfs/dbraw/zinc/76/93/23/927769323.db2.gz IBQUGVLETJIRBV-UHFFFAOYSA-N 0 0 420.256 4.171 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000519108932 927776777 /nfs/dbraw/zinc/77/67/77/927776777.db2.gz WKMSPQSSUVMJET-UHFFFAOYSA-N 0 0 409.364 4.011 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000519127641 927792771 /nfs/dbraw/zinc/79/27/71/927792771.db2.gz KLYMNHRQKIHTTP-NRFANRHFSA-N 0 0 400.500 4.494 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000519138054 927801163 /nfs/dbraw/zinc/80/11/63/927801163.db2.gz LSPIRKXUXUJFDS-UHFFFAOYSA-N 0 0 409.421 4.280 20 5 HIBDRN Cc1nc(-c2ccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2)cs1 ZINC000519137372 927801359 /nfs/dbraw/zinc/80/13/59/927801359.db2.gz UGMBDSVJUAOKMZ-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN C[C@H](Cc1cccc(Br)c1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000519151514 927804805 /nfs/dbraw/zinc/80/48/05/927804805.db2.gz GKUMXSDRAJWANE-LLVKDONJSA-N 0 0 402.248 4.200 20 5 HIBDRN CC(C)CCOC1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000519175413 927812957 /nfs/dbraw/zinc/81/29/57/927812957.db2.gz UNHRIISCTUHTRO-UHFFFAOYSA-N 0 0 418.275 4.231 20 5 HIBDRN COc1cc(CN2CCC(c3noc4cc(F)ccc43)CC2)c([N+](=O)[O-])cc1OC ZINC000519615542 928028486 /nfs/dbraw/zinc/02/84/86/928028486.db2.gz SONYKJFVLVXJQD-UHFFFAOYSA-N 0 0 415.421 4.272 20 5 HIBDRN O=C(Cc1cccc(OC(F)F)c1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000519777701 928072715 /nfs/dbraw/zinc/07/27/15/928072715.db2.gz PPPDOIVQWMHKTB-UHFFFAOYSA-N 0 0 401.163 4.140 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000519782683 928073569 /nfs/dbraw/zinc/07/35/69/928073569.db2.gz VFDMCYYMIWGODL-ZACQAIPSSA-N 0 0 403.276 4.366 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)Cc2cncc3ccccc32)c2cc([N+](=O)[O-])ccc2n1 ZINC000519844759 928091543 /nfs/dbraw/zinc/09/15/43/928091543.db2.gz HWGMDEDTZOQPBQ-CQSZACIVSA-N 0 0 400.438 4.239 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=C(c3cccc4ccccc43)CC2)c(F)c1 ZINC000519889877 928122683 /nfs/dbraw/zinc/12/26/83/928122683.db2.gz RQPWGJBSDBWVDK-UHFFFAOYSA-N 0 0 412.442 4.365 20 5 HIBDRN COc1cc(CCNC(=O)N(C)C2CCC(C(C)(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000519971810 928199440 /nfs/dbraw/zinc/19/94/40/928199440.db2.gz UYVPABYPCYUPBF-UHFFFAOYSA-N 0 0 421.538 4.401 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N(Cc1cccc(Br)c1)C1CC1 ZINC000520028091 928250242 /nfs/dbraw/zinc/25/02/42/928250242.db2.gz RKTPRWBSSRWMLF-UHFFFAOYSA-N 0 0 419.275 4.317 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1C ZINC000520027752 928251074 /nfs/dbraw/zinc/25/10/74/928251074.db2.gz FEMUENWCMMBMTD-UHFFFAOYSA-N 0 0 402.394 4.051 20 5 HIBDRN O=C(NCCc1cccc(Cl)c1Cl)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520066868 928288910 /nfs/dbraw/zinc/28/89/10/928288910.db2.gz CIHNFKMHICBXGE-UHFFFAOYSA-N 0 0 405.241 4.060 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000520091753 928304299 /nfs/dbraw/zinc/30/42/99/928304299.db2.gz PJZVTKXNKGPYJO-SFHVURJKSA-N 0 0 401.850 4.331 20 5 HIBDRN Cc1nc(-c2ccc(CCNC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2)cs1 ZINC000520097875 928307293 /nfs/dbraw/zinc/30/72/93/928307293.db2.gz IZJQTIARBSWOPH-UHFFFAOYSA-N 0 0 420.494 4.340 20 5 HIBDRN CCOc1cc(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OCC ZINC000520098013 928307577 /nfs/dbraw/zinc/30/75/77/928307577.db2.gz YUGJFGWQAKWMBX-LLVKDONJSA-N 0 0 410.373 4.076 20 5 HIBDRN CC(C)CN(Cc1ccccc1F)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000520155255 928346971 /nfs/dbraw/zinc/34/69/71/928346971.db2.gz ZCJNJPJBDANIMP-UHFFFAOYSA-N 0 0 400.859 4.234 20 5 HIBDRN COc1cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 ZINC000520246269 928413978 /nfs/dbraw/zinc/41/39/78/928413978.db2.gz ZEQWQSUACCXYCU-UHFFFAOYSA-N 0 0 422.441 4.363 20 5 HIBDRN CCn1c(=O)c2cc3ccccc3cc2nc1S[C@H]1CCN(c2ccccc2)C1=O ZINC000520252511 928419393 /nfs/dbraw/zinc/41/93/93/928419393.db2.gz ULCLQHPTOXBYAH-NRFANRHFSA-N 0 0 415.518 4.467 20 5 HIBDRN CC[C@H](c1ccccc1)N(CC(C)C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000520337835 928502228 /nfs/dbraw/zinc/50/22/28/928502228.db2.gz IGOVXUHPMDGVGQ-LJQANCHMSA-N 0 0 407.474 4.425 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000520410251 928552375 /nfs/dbraw/zinc/55/23/75/928552375.db2.gz WZZUMZNGGKITFB-DZGCQCFKSA-N 0 0 401.850 4.031 20 5 HIBDRN Cc1c(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)cccc1[N+](=O)[O-] ZINC000520436377 928564386 /nfs/dbraw/zinc/56/43/86/928564386.db2.gz RMSJACBTYYHPSE-GOSISDBHSA-N 0 0 403.847 4.124 20 5 HIBDRN CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(-c2ccccc2F)n1CC(C)C ZINC000520450152 928571992 /nfs/dbraw/zinc/57/19/92/928571992.db2.gz CPJNLKQNPHGFQI-UHFFFAOYSA-N 0 0 404.471 4.324 20 5 HIBDRN COC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 ZINC000520491206 928596892 /nfs/dbraw/zinc/59/68/92/928596892.db2.gz HUCINHQKABHEOL-UHFFFAOYSA-N 0 0 422.393 4.191 20 5 HIBDRN CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000520500100 928603407 /nfs/dbraw/zinc/60/34/07/928603407.db2.gz GMRFLPAPGYPQOU-HSZRJFAPSA-N 0 0 423.444 4.454 20 5 HIBDRN COCc1cccc2sc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)nc21 ZINC000520541491 928629921 /nfs/dbraw/zinc/62/99/21/928629921.db2.gz GICZPHODRLXVKY-LLVKDONJSA-N 0 0 403.485 4.470 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c(C)c1 ZINC000520555277 928638330 /nfs/dbraw/zinc/63/83/30/928638330.db2.gz CVRBQIFFHXXCQQ-CYBMUJFWSA-N 0 0 401.488 4.406 20 5 HIBDRN C[C@@H](Cc1cccc(F)c1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000520612373 928673391 /nfs/dbraw/zinc/67/33/91/928673391.db2.gz ZMEYQMYBMADEJB-LBPRGKRZSA-N 0 0 413.371 4.160 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(OCc2cccc(C)c2)cc1C ZINC000520636809 928691474 /nfs/dbraw/zinc/69/14/74/928691474.db2.gz CRDPTCPJCOCZHN-UHFFFAOYSA-N 0 0 408.458 4.324 20 5 HIBDRN Cc1ccc(C(=O)N[C@H](CC(=O)NCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000520637956 928693757 /nfs/dbraw/zinc/69/37/57/928693757.db2.gz RHKJSXNOHVYJRB-JOCHJYFZSA-N 0 0 417.465 4.081 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000520739539 928789596 /nfs/dbraw/zinc/78/95/96/928789596.db2.gz VAJRZMNJSJRLTI-JTQLQIEISA-N 0 0 417.940 4.350 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1[N+](=O)[O-] ZINC000520756198 928802997 /nfs/dbraw/zinc/80/29/97/928802997.db2.gz KTDQIIPGPSTLME-HXUWFJFHSA-N 0 0 401.438 4.473 20 5 HIBDRN Cc1nc(COc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)no1 ZINC000520829514 928835373 /nfs/dbraw/zinc/83/53/73/928835373.db2.gz AWLLURVSUYCUHJ-UHFFFAOYSA-N 0 0 410.411 4.332 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000520838492 928838941 /nfs/dbraw/zinc/83/89/41/928838941.db2.gz CNSKVYAHWKNRDH-GOSISDBHSA-N 0 0 405.857 4.263 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1C(=O)NC(C)C ZINC000520869958 928852241 /nfs/dbraw/zinc/85/22/41/928852241.db2.gz KUOQFVYTSVLITM-AWEZNQCLSA-N 0 0 401.488 4.161 20 5 HIBDRN COc1cc(CCNc2nc(C(F)F)nc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000520880921 928858022 /nfs/dbraw/zinc/85/80/22/928858022.db2.gz 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CCc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000525114415 930044951 /nfs/dbraw/zinc/04/49/51/930044951.db2.gz VMHUWCLFVFDNBG-LBPRGKRZSA-N 0 0 407.264 4.176 20 5 HIBDRN COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCC3)cc1 ZINC000525137846 930057023 /nfs/dbraw/zinc/05/70/23/930057023.db2.gz JLKUPPRFETUNBH-SFHVURJKSA-N 0 0 423.494 4.463 20 5 HIBDRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000525146002 930063142 /nfs/dbraw/zinc/06/31/42/930063142.db2.gz YPOWMVKPNZFPSC-CQSZACIVSA-N 0 0 415.877 4.444 20 5 HIBDRN C[C@H](Oc1cccc(Br)c1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000525151144 930065892 /nfs/dbraw/zinc/06/58/92/930065892.db2.gz IATZWFFGIOYLIZ-RYUDHWBXSA-N 0 0 405.248 4.102 20 5 HIBDRN Cc1ccnc(Oc2cc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)ccc2C)c1 ZINC000525160361 930072110 /nfs/dbraw/zinc/07/21/10/930072110.db2.gz SUGZWXOKNMVXEU-UHFFFAOYSA-N 0 0 421.409 4.422 20 5 HIBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000525190719 930081085 /nfs/dbraw/zinc/08/10/85/930081085.db2.gz GMJCIFMAFRKGJL-UHFFFAOYSA-N 0 0 417.409 4.174 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(NCCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000525193114 930081690 /nfs/dbraw/zinc/08/16/90/930081690.db2.gz LBOYKDDESCSSMP-UHFFFAOYSA-N 0 0 408.252 4.115 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000525286827 930134327 /nfs/dbraw/zinc/13/43/27/930134327.db2.gz MQRBCODKXULZEN-IBGZPJMESA-N 0 0 416.449 4.235 20 5 HIBDRN Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1Cl ZINC000525310492 930148713 /nfs/dbraw/zinc/14/87/13/930148713.db2.gz WJJDRJGLBVRBAN-KRWDZBQOSA-N 0 0 401.850 4.108 20 5 HIBDRN Cc1ccc(NCCCNC(=O)N[C@H](c2ccco2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000525322387 930160114 /nfs/dbraw/zinc/16/01/14/930160114.db2.gz KFGHFYXDPGTXDQ-NRFANRHFSA-N 0 0 408.458 4.387 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1SC ZINC000525336125 930171865 /nfs/dbraw/zinc/17/18/65/930171865.db2.gz NGVCCFMOFOHUFO-ZANVPECISA-N 0 0 410.854 4.404 20 5 HIBDRN Cc1ccc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OCC1CCOCC1 ZINC000525459925 930254772 /nfs/dbraw/zinc/25/47/72/930254772.db2.gz CUOYBEBAVLRVHP-UHFFFAOYSA-N 0 0 424.457 4.371 20 5 HIBDRN COc1cccc(Oc2ncccc2CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000525497781 930283908 /nfs/dbraw/zinc/28/39/08/930283908.db2.gz BCMPXEZFIUGYFE-UHFFFAOYSA-N 0 0 422.441 4.132 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)ccc2SCC(F)F)cc([N+](=O)[O-])c1OC ZINC000525499871 930285995 /nfs/dbraw/zinc/28/59/95/930285995.db2.gz FVMBIPDWGIQKPN-UHFFFAOYSA-N 0 0 416.377 4.361 20 5 HIBDRN COc1cc(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(SC)cc1OC ZINC000525509185 930292839 /nfs/dbraw/zinc/29/28/39/930292839.db2.gz SZWTUGSOANLGIN-UHFFFAOYSA-N 0 0 405.476 4.306 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@@H](Cc4ccccc4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000525538442 930311325 /nfs/dbraw/zinc/31/13/25/930311325.db2.gz FKQFAJDDXUDLBT-NRFANRHFSA-N 0 0 418.497 4.161 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2sc(CC)nc2C)cc1OC ZINC000525562392 930329267 /nfs/dbraw/zinc/32/92/67/930329267.db2.gz GSHQNXSOPKATAX-GFCCVEGCSA-N 0 0 407.492 4.163 20 5 HIBDRN CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000525593116 930351666 /nfs/dbraw/zinc/35/16/66/930351666.db2.gz OKKXQSBXACQNPI-SGTLLEGYSA-N 0 0 424.906 4.169 20 5 HIBDRN COc1ccc(C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 ZINC000525629925 930373063 /nfs/dbraw/zinc/37/30/63/930373063.db2.gz SSQGHSAYCFDICV-QHCPKHFHSA-N 0 0 420.465 4.255 20 5 HIBDRN CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000525650120 930383106 /nfs/dbraw/zinc/38/31/06/930383106.db2.gz HXYKMKNUFFQQRC-UHFFFAOYSA-N 0 0 420.465 4.254 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c1 ZINC000525651905 930383535 /nfs/dbraw/zinc/38/35/35/930383535.db2.gz NBMICTUGHGZJAR-UHFFFAOYSA-N 0 0 409.421 4.280 20 5 HIBDRN C[C@@H]1C[C@H]1[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(Cl)cc1 ZINC000525671935 930398627 /nfs/dbraw/zinc/39/86/27/930398627.db2.gz XUYRWPMQXTYUIS-MZKGEVEHSA-N 0 0 402.834 4.147 20 5 HIBDRN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000525681145 930402120 /nfs/dbraw/zinc/40/21/20/930402120.db2.gz FSUYJGJTHORDMI-UHFFFAOYSA-N 0 0 422.359 4.194 20 5 HIBDRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000525729147 930417757 /nfs/dbraw/zinc/41/77/57/930417757.db2.gz FTUUWKZQLXVQBJ-LJQANCHMSA-N 0 0 407.470 4.248 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc2oc3ccccc3c2c1 ZINC000525800620 930449345 /nfs/dbraw/zinc/44/93/45/930449345.db2.gz PHHACTRNTAGQIR-UHFFFAOYSA-N 0 0 404.378 4.447 20 5 HIBDRN CC(C)c1nc2cc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)ccc2o1 ZINC000525873976 930474198 /nfs/dbraw/zinc/47/41/98/930474198.db2.gz YEVWMRPKVROIOJ-UHFFFAOYSA-N 0 0 424.457 4.235 20 5 HIBDRN CC(C)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(C(F)(F)F)cc1 ZINC000526063018 930516812 /nfs/dbraw/zinc/51/68/12/930516812.db2.gz YJHXXKHHBIOXAW-UHFFFAOYSA-N 0 0 410.348 4.050 20 5 HIBDRN COc1c(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cccc1[N+](=O)[O-] ZINC000527236001 930618679 /nfs/dbraw/zinc/61/86/79/930618679.db2.gz KDTVGKZONKWMKJ-UHFFFAOYSA-N 0 0 420.447 4.139 20 5 HIBDRN CN(CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)CC(F)F ZINC000527255355 930621235 /nfs/dbraw/zinc/62/12/35/930621235.db2.gz YALYGXPEHKDVQH-UHFFFAOYSA-N 0 0 415.506 4.146 20 5 HIBDRN COc1cccc(Cl)c1-c1noc(C)c1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000530285190 930676586 /nfs/dbraw/zinc/67/65/86/930676586.db2.gz IMGMVQCWDMLBCG-UHFFFAOYSA-N 0 0 401.806 4.150 20 5 HIBDRN Cc1cc(N2CCC([C@](C)(O)C(F)(F)F)CC2)c(Br)cc1[N+](=O)[O-] ZINC000530384083 930698622 /nfs/dbraw/zinc/69/86/22/930698622.db2.gz KQSPXVDAXRGRKY-AWEZNQCLSA-N 0 0 411.218 4.195 20 5 HIBDRN COc1ccc(C(=O)CCCCCC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000530400794 930701541 /nfs/dbraw/zinc/70/15/41/930701541.db2.gz BFQFVCYPNFWNSH-UHFFFAOYSA-N 0 0 410.470 4.322 20 5 HIBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000530616619 930773929 /nfs/dbraw/zinc/77/39/29/930773929.db2.gz PMFDYOJDANPQMW-GFCCVEGCSA-N 0 0 423.391 4.444 20 5 HIBDRN Cc1c(COC(C)(C)C)cccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000530622535 930775636 /nfs/dbraw/zinc/77/56/36/930775636.db2.gz NZLBATLCCLNGRA-UHFFFAOYSA-N 0 0 400.431 4.242 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000530737882 930813245 /nfs/dbraw/zinc/81/32/45/930813245.db2.gz BIWODIOKJCYCDU-UHFFFAOYSA-N 0 0 401.316 4.359 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000530789732 930824030 /nfs/dbraw/zinc/82/40/30/930824030.db2.gz SWARLUYFERCDLY-UHFFFAOYSA-N 0 0 402.300 4.369 20 5 HIBDRN O=[N+]([O-])c1cccc(CCc2nc(-c3cccc(OCc4cccnc4)c3)no2)c1 ZINC000530799991 930826970 /nfs/dbraw/zinc/82/69/70/930826970.db2.gz NFGDLGYZQFRNEF-UHFFFAOYSA-N 0 0 402.410 4.404 20 5 HIBDRN O=C(Nc1cc(F)ccc1O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000530895836 930852793 /nfs/dbraw/zinc/85/27/93/930852793.db2.gz GWYZRDZUSVGBHR-UHFFFAOYSA-N 0 0 411.176 4.184 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000531017861 930886325 /nfs/dbraw/zinc/88/63/25/930886325.db2.gz ZLADXTAVRPQCQE-MRXNPFEDSA-N 0 0 415.877 4.356 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](c1ccccc1)C(F)(F)F ZINC000531026896 930889491 /nfs/dbraw/zinc/88/94/91/930889491.db2.gz ZZALLOQUHYQQPA-OAHLLOKOSA-N 0 0 417.181 4.320 20 5 HIBDRN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531063720 930902803 /nfs/dbraw/zinc/90/28/03/930902803.db2.gz PJUYOQIYZBVARJ-MRXNPFEDSA-N 0 0 400.431 4.239 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000531126095 930933012 /nfs/dbraw/zinc/93/30/12/930933012.db2.gz JOPKDURFHFMCHX-SFHVURJKSA-N 0 0 414.487 4.051 20 5 HIBDRN Cc1[nH]c(=O)c(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1-c1ccccc1 ZINC000531181105 930954811 /nfs/dbraw/zinc/95/48/11/930954811.db2.gz OXQDOOOGTSXVFY-UHFFFAOYSA-N 0 0 415.409 4.313 20 5 HIBDRN CCc1c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cnn1-c1ccc(C)cc1 ZINC000531238928 930977294 /nfs/dbraw/zinc/97/72/94/930977294.db2.gz LJGNVUUHIRJWNG-UHFFFAOYSA-N 0 0 401.426 4.452 20 5 HIBDRN COc1ccc(CC(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1[N+](=O)[O-] ZINC000531245317 930979692 /nfs/dbraw/zinc/97/96/92/930979692.db2.gz PZCBFFLEPANAMI-UHFFFAOYSA-N 0 0 401.419 4.356 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000531309439 931011282 /nfs/dbraw/zinc/01/12/82/931011282.db2.gz RYIWXCBXQUJOCM-INIZCTEOSA-N 0 0 416.547 4.171 20 5 HIBDRN CCc1cnc(CN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)s1 ZINC000531343803 931024459 /nfs/dbraw/zinc/02/44/59/931024459.db2.gz NQOKBXCSZABHRX-UHFFFAOYSA-N 0 0 410.499 4.498 20 5 HIBDRN COc1ccc(OC2CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000531442594 931058491 /nfs/dbraw/zinc/05/84/91/931058491.db2.gz NGHYAOVZTANOCG-INIZCTEOSA-N 0 0 413.474 4.226 20 5 HIBDRN Cc1n[nH]c(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1[N+](=O)[O-] ZINC000531519504 931089691 /nfs/dbraw/zinc/08/96/91/931089691.db2.gz XHYHIJWJVXWIRX-VIFPVBQESA-N 0 0 405.867 4.203 20 5 HIBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCSc2ccc(Br)cc21 ZINC000531629088 931132463 /nfs/dbraw/zinc/13/24/63/931132463.db2.gz CTVVULMUHGXICY-HNNXBMFYSA-N 0 0 422.304 4.452 20 5 HIBDRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1C ZINC000531629177 931132707 /nfs/dbraw/zinc/13/27/07/931132707.db2.gz KNAILNSDIBKROH-UHFFFAOYSA-N 0 0 406.229 4.351 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cc(Br)ccc1N1CCCC1 ZINC000531675249 931146766 /nfs/dbraw/zinc/14/67/66/931146766.db2.gz PATWUDTULVTLSW-UHFFFAOYSA-N 0 0 419.279 4.279 20 5 HIBDRN COc1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531699130 931163042 /nfs/dbraw/zinc/16/30/42/931163042.db2.gz SRTJIRGXICSVAE-IBGZPJMESA-N 0 0 408.458 4.073 20 5 HIBDRN O=C(Nc1ccc(F)cc1O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000532012997 931284292 /nfs/dbraw/zinc/28/42/92/931284292.db2.gz XUNJDUBJGQQQLC-UHFFFAOYSA-N 0 0 411.176 4.184 20 5 HIBDRN CSc1ccc(C(=O)N2CCc3cccc(Br)c3C2)cc1[N+](=O)[O-] ZINC000532051126 931297954 /nfs/dbraw/zinc/29/79/54/931297954.db2.gz VPICKAIIGBPROO-UHFFFAOYSA-N 0 0 407.289 4.278 20 5 HIBDRN O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532068740 931303230 /nfs/dbraw/zinc/30/32/30/931303230.db2.gz IURJINCDZQLBNW-UHFFFAOYSA-N 0 0 417.377 4.308 20 5 HIBDRN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000532118524 931319611 /nfs/dbraw/zinc/31/96/11/931319611.db2.gz KEGPGYOSKMANES-GOSISDBHSA-N 0 0 419.522 4.071 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1OCc1ccccc1 ZINC000532388071 931419975 /nfs/dbraw/zinc/41/99/75/931419975.db2.gz YYFOCQHOZQBHLG-OAHLLOKOSA-N 0 0 407.426 4.068 20 5 HIBDRN CN(C)S(=O)(=O)c1ccc(Sc2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 ZINC000532420190 931429853 /nfs/dbraw/zinc/42/98/53/931429853.db2.gz FZLNUSOLBCNORK-UHFFFAOYSA-N 0 0 421.525 4.120 20 5 HIBDRN COc1cc(Br)c(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)cc1OC ZINC000532440846 931435729 /nfs/dbraw/zinc/43/57/29/931435729.db2.gz RDRCAXDUALLNKX-UHFFFAOYSA-N 0 0 406.236 4.081 20 5 HIBDRN CNc1ccc(C(=O)Nc2cc(Br)ccc2OC(C)C)cc1[N+](=O)[O-] ZINC000532462865 931445960 /nfs/dbraw/zinc/44/59/60/931445960.db2.gz WILVRBNVNRSGGM-UHFFFAOYSA-N 0 0 408.252 4.439 20 5 HIBDRN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(C)cc1 ZINC000532490327 931458748 /nfs/dbraw/zinc/45/87/48/931458748.db2.gz JGRPLQKCCNFUMP-UHFFFAOYSA-N 0 0 406.280 4.126 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1OC ZINC000532490177 931459257 /nfs/dbraw/zinc/45/92/57/931459257.db2.gz GDEHCMBNQGGMJQ-HNNXBMFYSA-N 0 0 401.463 4.024 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000532576699 931536873 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ZINC000535957326 933522171 /nfs/dbraw/zinc/52/21/71/933522171.db2.gz YBBUQTDBXYLQDL-UHFFFAOYSA-N 0 0 406.442 4.107 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1csc([C@@H]2CCCO2)n1 ZINC000535982176 933545823 /nfs/dbraw/zinc/54/58/23/933545823.db2.gz NXLLLIPGQNHEJO-SFHVURJKSA-N 0 0 423.450 4.386 20 5 HIBDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(C)c1 ZINC000536057834 933605854 /nfs/dbraw/zinc/60/58/54/933605854.db2.gz QJYXPGVFCYWHDB-HNNXBMFYSA-N 0 0 410.474 4.022 20 5 HIBDRN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536059795 933610786 /nfs/dbraw/zinc/61/07/86/933610786.db2.gz NXESKOJDYLPTPX-UHFFFAOYSA-N 0 0 417.487 4.331 20 5 HIBDRN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536063262 933613914 /nfs/dbraw/zinc/61/39/14/933613914.db2.gz KZYYKLBAZQMMFK-UHFFFAOYSA-N 0 0 413.886 4.499 20 5 HIBDRN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c12 ZINC000536063948 933615219 /nfs/dbraw/zinc/61/52/19/933615219.db2.gz NELFGUXVQURMIP-UHFFFAOYSA-N 0 0 406.442 4.159 20 5 HIBDRN O=C1C[C@@H](Cc2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)C(=O)N1 ZINC000536100071 933651709 /nfs/dbraw/zinc/65/17/09/933651709.db2.gz YTDCUQHNKYWSDB-MRXNPFEDSA-N 0 0 421.478 4.141 20 5 HIBDRN CCOc1ccc(Br)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536112370 933661748 /nfs/dbraw/zinc/66/17/48/933661748.db2.gz HPHPTWJVVVNHBM-UHFFFAOYSA-N 0 0 418.247 4.419 20 5 HIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N(c1cc2c(cc1Cl)OCO2)C1CCCCC1 ZINC000536143774 933684917 /nfs/dbraw/zinc/68/49/17/933684917.db2.gz VTJUUSKKOWXQEK-UHFFFAOYSA-N 0 0 405.838 4.295 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c(C)c1 ZINC000537312106 933711978 /nfs/dbraw/zinc/71/19/78/933711978.db2.gz ZOQWCABHRNFHBX-MRXNPFEDSA-N 0 0 413.474 4.148 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000537433700 933772606 /nfs/dbraw/zinc/77/26/06/933772606.db2.gz IOFUJVWNVPWTKR-UHFFFAOYSA-N 0 0 412.475 4.023 20 5 HIBDRN C[C@H](C(=O)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000562403358 945070758 /nfs/dbraw/zinc/07/07/58/945070758.db2.gz GGBSJEZSRXADNH-YJBOKZPZSA-N 0 0 411.506 4.270 20 5 HIBDRN COC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000562900579 945145641 /nfs/dbraw/zinc/14/56/41/945145641.db2.gz USJRFVIVUISTAV-CQSZACIVSA-N 0 0 402.756 4.385 20 5 HIBDRN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCCc2occc2C1 ZINC000562896119 945143775 /nfs/dbraw/zinc/14/37/75/945143775.db2.gz ZQPZQLCIGKMXDJ-CYBMUJFWSA-N 0 0 412.471 4.087 20 5 HIBDRN CC(C)(C)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000537591630 938330343 /nfs/dbraw/zinc/33/03/43/938330343.db2.gz MDOCOXCTWMFECR-GFCCVEGCSA-N 0 0 411.218 4.383 20 5 HIBDRN Cc1c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000537592740 938330360 /nfs/dbraw/zinc/33/03/60/938330360.db2.gz XORZEAPGPCNYRF-UHFFFAOYSA-N 0 0 419.268 4.368 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537598583 938331585 /nfs/dbraw/zinc/33/15/85/938331585.db2.gz VPHJTIPLHJUAIE-UHFFFAOYSA-N 0 0 419.268 4.368 20 5 HIBDRN O=C(CCC(=O)c1ccc2c(c1)CCC2)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537598470 938331652 /nfs/dbraw/zinc/33/16/52/938331652.db2.gz BRFHDWONGCVDAX-UHFFFAOYSA-N 0 0 400.862 4.059 20 5 HIBDRN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000537632710 938341225 /nfs/dbraw/zinc/34/12/25/938341225.db2.gz MOKAVNGUNOUWQO-MJGOQNOKSA-N 0 0 408.545 4.111 20 5 HIBDRN CCCOc1c(Cl)cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000537634701 938341943 /nfs/dbraw/zinc/34/19/43/938341943.db2.gz QZPJUBSNQAQXDS-OAHLLOKOSA-N 0 0 420.897 4.127 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000537638942 938343250 /nfs/dbraw/zinc/34/32/50/938343250.db2.gz PMLNRNMKHQBIEE-UHFFFAOYSA-N 0 0 413.449 4.150 20 5 HIBDRN CC(C)(C)OC(=O)C1CCC(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000537691102 938355567 /nfs/dbraw/zinc/35/55/67/938355567.db2.gz HDCSPSPYYCIQLP-UHFFFAOYSA-N 0 0 417.506 4.169 20 5 HIBDRN COc1ccccc1COC1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000537697322 938358034 /nfs/dbraw/zinc/35/80/34/938358034.db2.gz RCWRJUGPUVNZJA-UHFFFAOYSA-N 0 0 404.850 4.078 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000537731835 938365288 /nfs/dbraw/zinc/36/52/88/938365288.db2.gz ZYSLPYZUTPZIFD-OTWHNJEPSA-N 0 0 414.433 4.037 20 5 HIBDRN COc1ccc(CSCC(=O)NCC2(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000537775568 938374272 /nfs/dbraw/zinc/37/42/72/938374272.db2.gz HZEDTYAVOOIHSG-UHFFFAOYSA-N 0 0 418.490 4.115 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2noc(C)n2)c2ccc(Cl)cc2)c1 ZINC000537796299 938377888 /nfs/dbraw/zinc/37/78/88/938377888.db2.gz XEIQBTQFZCPMCA-INIZCTEOSA-N 0 0 418.862 4.181 20 5 HIBDRN CC(C)[C@H]1C[C@H](Nc2nc(N[C@@H]3CCO[C@H](C(C)C)C3)sc2[N+](=O)[O-])CCO1 ZINC000537839468 938386902 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AWGOBQGAOZYKSY-RDTXWAMCSA-N 0 0 401.463 4.161 20 5 HIBDRN O=C(Nc1ccc(COc2ccccc2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000538023574 938467803 /nfs/dbraw/zinc/46/78/03/938467803.db2.gz HJKHDTHOKJRNGF-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H](C)c2ccccc2OCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000538032945 938474599 /nfs/dbraw/zinc/47/45/99/938474599.db2.gz TXXWCGZZKZGFMZ-MRXNPFEDSA-N 0 0 422.485 4.255 20 5 HIBDRN COc1cc(CN[C@H](C)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000538130013 938513806 /nfs/dbraw/zinc/51/38/06/938513806.db2.gz PHRBIAZPMPGXNY-LLVKDONJSA-N 0 0 409.389 4.014 20 5 HIBDRN CCCOc1ccc([C@H](C)NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC ZINC000538152807 938524752 /nfs/dbraw/zinc/52/47/52/938524752.db2.gz JUXHXYBNOCVOLN-AWEZNQCLSA-N 0 0 412.446 4.293 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000538197434 938550382 /nfs/dbraw/zinc/55/03/82/938550382.db2.gz HHYFLHARFTYMPZ-UHFFFAOYSA-N 0 0 410.499 4.254 20 5 HIBDRN Cc1nn(C)c(C)c1CCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000538247880 938573158 /nfs/dbraw/zinc/57/31/58/938573158.db2.gz AEONPXRXIICVPB-UHFFFAOYSA-N 0 0 407.474 4.051 20 5 HIBDRN COC(=O)c1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)oc1C ZINC000538248239 938573707 /nfs/dbraw/zinc/57/37/07/938573707.db2.gz OFRZSKMIZHTPCP-UHFFFAOYSA-N 0 0 406.460 4.056 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCCc2ccccc21 ZINC000538252100 938574741 /nfs/dbraw/zinc/57/47/41/938574741.db2.gz SROASTGTVSREIQ-JOCHJYFZSA-N 0 0 414.527 4.357 20 5 HIBDRN CN(C(=O)CCOc1ccc(F)cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000538254174 938575187 /nfs/dbraw/zinc/57/51/87/938575187.db2.gz GSUTZOJNBMAYRY-UHFFFAOYSA-N 0 0 401.419 4.289 20 5 HIBDRN CN(C(=O)c1cnc(-c2ccccc2)nc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000538255439 938575732 /nfs/dbraw/zinc/57/57/32/938575732.db2.gz TZGZKFNJKUGWIZ-UHFFFAOYSA-N 0 0 417.450 4.452 20 5 HIBDRN COc1cc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc(OC)c1Br ZINC000538290050 938583836 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XKEGLINFCROPBI-IEBWSBKVSA-N 0 0 419.840 4.222 20 5 HIBDRN CCc1cccc(CC)c1NC(=O)Cc1noc([C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000563647360 945233105 /nfs/dbraw/zinc/23/31/05/945233105.db2.gz BDXWMOIBBOQWJE-AWEZNQCLSA-N 0 0 408.458 4.436 20 5 HIBDRN COCCSc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000540334102 939198318 /nfs/dbraw/zinc/19/83/18/939198318.db2.gz XXDVDHOFOFWUNW-LSDHHAIUSA-N 0 0 403.504 4.455 20 5 HIBDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000540339832 939199697 /nfs/dbraw/zinc/19/96/97/939199697.db2.gz BYKNFGVQVUKATG-STQMWFEESA-N 0 0 406.280 4.349 20 5 HIBDRN COc1ccc(CN(C)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000540344162 939201598 /nfs/dbraw/zinc/20/15/98/939201598.db2.gz DXXWLJFJCWTQRY-LBPRGKRZSA-N 0 0 409.389 4.107 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000540354132 939204858 /nfs/dbraw/zinc/20/48/58/939204858.db2.gz MFBBZOAZFGGHEA-MRXNPFEDSA-N 0 0 423.469 4.437 20 5 HIBDRN C[C@@H](NCCS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000540376975 939217148 /nfs/dbraw/zinc/21/71/48/939217148.db2.gz UYXXJAJYMGDGHL-LLVKDONJSA-N 0 0 403.287 4.026 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1SC ZINC000540443553 939251781 /nfs/dbraw/zinc/25/17/81/939251781.db2.gz VAOADOJPBVIGKG-KBXCAEBGSA-N 0 0 422.890 4.239 20 5 HIBDRN CCOc1ccccc1OCC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540451406 939254907 /nfs/dbraw/zinc/25/49/07/939254907.db2.gz HTTIGRKMJIANIL-UHFFFAOYSA-N 0 0 413.455 4.159 20 5 HIBDRN Cc1nn(C)c(C)c1CCCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000540450805 939255265 /nfs/dbraw/zinc/25/52/65/939255265.db2.gz XHHQZHFMQJXMTO-UHFFFAOYSA-N 0 0 424.526 4.459 20 5 HIBDRN COc1ccc(COCCNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 ZINC000540452366 939255925 /nfs/dbraw/zinc/25/59/25/939255925.db2.gz HCKJGZFHGMKOIN-UHFFFAOYSA-N 0 0 404.488 4.051 20 5 HIBDRN CSc1ccc(C)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000540536345 939294069 /nfs/dbraw/zinc/29/40/69/939294069.db2.gz NOYVLGWYHDRWRZ-LJQANCHMSA-N 0 0 413.499 4.177 20 5 HIBDRN CSc1ccc(C)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000540536344 939294238 /nfs/dbraw/zinc/29/42/38/939294238.db2.gz NOYVLGWYHDRWRZ-IBGZPJMESA-N 0 0 413.499 4.177 20 5 HIBDRN COc1cc(CNc2ccc3[nH]nnc3c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000540621994 939322181 /nfs/dbraw/zinc/32/21/81/939322181.db2.gz MTYXJEOKXRTXAW-UHFFFAOYSA-N 0 0 405.414 4.066 20 5 HIBDRN O=C(Nc1ccnc(OCC(F)(F)F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000540683701 939338532 /nfs/dbraw/zinc/33/85/32/939338532.db2.gz HPORMRWQOVIQGU-UHFFFAOYSA-N 0 0 410.352 4.127 20 5 HIBDRN Cc1nn(C)c(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000540719020 939347705 /nfs/dbraw/zinc/34/77/05/939347705.db2.gz CGNQPBNYCLCCJH-LSDHHAIUSA-N 0 0 410.396 4.064 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-n2cnnn2)ccc1C ZINC000540735265 939353151 /nfs/dbraw/zinc/35/31/51/939353151.db2.gz CEGFCXIVOSTXKD-UHFFFAOYSA-N 0 0 412.475 4.023 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)cc1OC ZINC000540751028 939359099 /nfs/dbraw/zinc/35/90/99/939359099.db2.gz SZFOLSKOMSTLPC-UHFFFAOYSA-N 0 0 424.457 4.365 20 5 HIBDRN C[C@H](C(=O)Nc1cc(F)ccc1Sc1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000563669779 945247498 /nfs/dbraw/zinc/24/74/98/945247498.db2.gz XEKPDJKAICWJSP-LBPRGKRZSA-N 0 0 400.435 4.361 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000540770081 939365872 /nfs/dbraw/zinc/36/58/72/939365872.db2.gz NHFUEHBKMKVHPC-GJZGRUSLSA-N 0 0 407.536 4.006 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCOc2cc(F)ccc21 ZINC000540789600 939373058 /nfs/dbraw/zinc/37/30/58/939373058.db2.gz CTCUFQJENHKDIK-OAHLLOKOSA-N 0 0 408.813 4.186 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540801461 939377363 /nfs/dbraw/zinc/37/73/63/939377363.db2.gz YVSNDRPZFLFGGJ-CTNGQTDRSA-N 0 0 419.884 4.270 20 5 HIBDRN CC(C)N1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540802017 939377567 /nfs/dbraw/zinc/37/75/67/939377567.db2.gz YUNUHZJMUUMGFN-DOTOQJQBSA-N 0 0 411.886 4.403 20 5 HIBDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000540826054 939386097 /nfs/dbraw/zinc/38/60/97/939386097.db2.gz LOCGYYNANRRAKY-DLBZAZTESA-N 0 0 419.547 4.246 20 5 HIBDRN CC(C)(C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000540851134 939394599 /nfs/dbraw/zinc/39/45/99/939394599.db2.gz TUHDQSIBORDALM-QGZVFWFLSA-N 0 0 419.485 4.064 20 5 HIBDRN C[C@H]1CCN(C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)c2ccccc2S1 ZINC000540856213 939397090 /nfs/dbraw/zinc/39/70/90/939397090.db2.gz KLXFVNQCOZPYJC-HNNXBMFYSA-N 0 0 408.483 4.376 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)nc2c1 ZINC000540863378 939401551 /nfs/dbraw/zinc/40/15/51/939401551.db2.gz OYCJAWLEQVPMAH-OAHLLOKOSA-N 0 0 410.478 4.281 20 5 HIBDRN O=c1[nH]cnc2cc(N[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)c([N+](=O)[O-])cc12 ZINC000540868534 939404709 /nfs/dbraw/zinc/40/47/09/939404709.db2.gz GCKSHLSCIFICBU-SNVBAGLBSA-N 0 0 420.256 4.241 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(OCC(F)F)ccn1 ZINC000540888609 939410606 /nfs/dbraw/zinc/41/06/06/939410606.db2.gz IAHNTXUTOGCKSP-UHFFFAOYSA-N 0 0 406.370 4.010 20 5 HIBDRN CC(C)(C)Oc1cccc(CCC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000540899609 939414161 /nfs/dbraw/zinc/41/41/61/939414161.db2.gz KLIYJXMBXYTZLG-UHFFFAOYSA-N 0 0 405.882 4.112 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000540998579 939428206 /nfs/dbraw/zinc/42/82/06/939428206.db2.gz ZKYYWNIUGOWZFV-GJZGRUSLSA-N 0 0 410.417 4.340 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000541006319 939429794 /nfs/dbraw/zinc/42/97/94/939429794.db2.gz KSGZGTVDNBPHAN-YJBOKZPZSA-N 0 0 406.385 4.155 20 5 HIBDRN 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ZINC000541297374 939489897 /nfs/dbraw/zinc/48/98/97/939489897.db2.gz CHJCGLSJQUMTIE-UHFFFAOYSA-N 0 0 408.285 4.296 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)nn1[C@@H](C)C1CC1 ZINC000541299627 939489974 /nfs/dbraw/zinc/48/99/74/939489974.db2.gz RMKOCQMIHMGDPM-HNNXBMFYSA-N 0 0 422.489 4.185 20 5 HIBDRN CC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1ccccc1OC(F)F ZINC000541320646 939490770 /nfs/dbraw/zinc/49/07/70/939490770.db2.gz VJEVIERVFADDIE-OAHLLOKOSA-N 0 0 409.389 4.155 20 5 HIBDRN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](c1cccc2ccccc21)C(F)(F)F ZINC000541327694 939491010 /nfs/dbraw/zinc/49/10/10/939491010.db2.gz WCSCCBRLODSCHO-MGPUTAFESA-N 0 0 420.387 4.381 20 5 HIBDRN Cc1[nH]c2ccccc2c1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541427707 939513814 /nfs/dbraw/zinc/51/38/14/939513814.db2.gz CTCXZAQAPMCANA-UHFFFAOYSA-N 0 0 403.891 4.489 20 5 HIBDRN C[C@H](O)C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000541473362 939529913 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ZINC000547194819 941027555 /nfs/dbraw/zinc/02/75/55/941027555.db2.gz KGKHKSYQGODLAL-UHFFFAOYSA-N 0 0 407.348 4.409 20 5 HIBDRN Cc1cc(Cc2noc(-c3nc(C(C)C)n(-c4cccc(F)c4)n3)n2)ccc1[N+](=O)[O-] ZINC000547197236 941028567 /nfs/dbraw/zinc/02/85/67/941028567.db2.gz IPSYOZAFOBHCIO-UHFFFAOYSA-N 0 0 422.420 4.387 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(/C=C/c3ccc(OCc4ccccn4)cc3)n2)nc1 ZINC000547198145 941028824 /nfs/dbraw/zinc/02/88/24/941028824.db2.gz AVKPNKZOQAMIKA-IZZDOVSWSA-N 0 0 415.409 4.108 20 5 HIBDRN Cc1c(CCc2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)cnn1C ZINC000547198515 941028923 /nfs/dbraw/zinc/02/89/23/941028923.db2.gz VZAZBULXFCMSRF-UHFFFAOYSA-N 0 0 405.414 4.264 20 5 HIBDRN CS[C@H]1C(=O)Nc2ccc(-c3noc([C@@H](C)c4ccc([N+](=O)[O-])cc4F)n3)cc21 ZINC000547208813 941032867 /nfs/dbraw/zinc/03/28/67/941032867.db2.gz CGAXEAFDZNAZNQ-XXFAHNHDSA-N 0 0 414.418 4.292 20 5 HIBDRN CS[C@@H]1C(=O)Nc2ccc(-c3noc([C@@H](C)c4ccc([N+](=O)[O-])cc4F)n3)cc21 ZINC000547208809 941032915 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941112317 /nfs/dbraw/zinc/11/23/17/941112317.db2.gz XVHNOSVEGZBLID-ORAYPTAESA-N 0 0 403.866 4.092 20 5 HIBDRN Cc1csc(Oc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cc2F)n1 ZINC000548735544 941121961 /nfs/dbraw/zinc/12/19/61/941121961.db2.gz BSSFAUXJFVRJGN-UHFFFAOYSA-N 0 0 406.370 4.265 20 5 HIBDRN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C2CC2)c(OC)c1 ZINC000548896052 941128233 /nfs/dbraw/zinc/12/82/33/941128233.db2.gz HLERQZARQDYUGX-ZDUSSCGKSA-N 0 0 402.422 4.192 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)c1 ZINC000548954120 941133630 /nfs/dbraw/zinc/13/36/30/941133630.db2.gz IXOLHNZXRMQSHR-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN O=C(Nc1cccc(Br)c1Cl)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000549021064 941144175 /nfs/dbraw/zinc/14/41/75/941144175.db2.gz BJRJPZUAXCIXHR-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN C[C@@H]1C(=O)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C(=O)N1c1ccc(F)cc1 ZINC000549036442 941146799 /nfs/dbraw/zinc/14/67/99/941146799.db2.gz 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CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)Cc1ccccc1F ZINC000549285115 941176924 /nfs/dbraw/zinc/17/69/24/941176924.db2.gz FMYJDZCHIWAESD-UHFFFAOYSA-N 0 0 413.453 4.055 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)c1 ZINC000549293066 941177616 /nfs/dbraw/zinc/17/76/16/941177616.db2.gz BXHNBYFPLCNGGO-LBPRGKRZSA-N 0 0 408.838 4.313 20 5 HIBDRN Cc1nn(CCC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c(C)c1[N+](=O)[O-] ZINC000549319599 941179722 /nfs/dbraw/zinc/17/97/22/941179722.db2.gz RAUZIJXWHWEDFO-QGZVFWFLSA-N 0 0 410.396 4.085 20 5 HIBDRN CCCC(C)(C)N(Cc1cccs1)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000549324645 941180147 /nfs/dbraw/zinc/18/01/47/941180147.db2.gz LIDCWQNPRLGRNC-UHFFFAOYSA-N 0 0 417.487 4.172 20 5 HIBDRN O=C(COc1ccc(OCC2CC2)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000549381606 941184408 /nfs/dbraw/zinc/18/44/08/941184408.db2.gz MJEALBLKBUPRFT-UHFFFAOYSA-N 0 0 402.834 4.005 20 5 HIBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2cccs2)C1 ZINC000549444057 941190553 /nfs/dbraw/zinc/19/05/53/941190553.db2.gz ZXLGIGSWBPROMN-QGZVFWFLSA-N 0 0 413.503 4.149 20 5 HIBDRN CN(CCCc1ccccc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000549482167 941195144 /nfs/dbraw/zinc/19/51/44/941195144.db2.gz KGNFVUGMPNDKTC-NRFANRHFSA-N 0 0 421.501 4.101 20 5 HIBDRN Cc1cc(N2CCn3c(nnc3-c3ccccc3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549527965 941198159 /nfs/dbraw/zinc/19/81/59/941198159.db2.gz QXRTZUYTWODUMQ-UHFFFAOYSA-N 0 0 403.364 4.201 20 5 HIBDRN CC(C)([C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000549543407 941198840 /nfs/dbraw/zinc/19/88/40/941198840.db2.gz JISIJEJRMKQKQY-FQEVSTJZSA-N 0 0 405.445 4.284 20 5 HIBDRN C[C@H](COc1ccc(F)cc1F)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549606722 941201089 /nfs/dbraw/zinc/20/10/89/941201089.db2.gz LNQKKDDXNAITOA-SECBINFHSA-N 0 0 404.291 4.089 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3C[C@@]4(CCCO4)[C@@H]3C3CC3)c([N+](=O)[O-])c2)cc1 ZINC000549684604 941204416 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BWUXUDHNURWJFF-NSHGMRRFSA-N 0 0 411.506 4.049 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OC[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000550175758 941293633 /nfs/dbraw/zinc/29/36/33/941293633.db2.gz KNMCGNZDAYELJC-URXFXBBRSA-N 0 0 423.465 4.458 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)c1ccccc1[N+](=O)[O-] ZINC000550177019 941293968 /nfs/dbraw/zinc/29/39/68/941293968.db2.gz MNTBKWQXNWUQQY-SFHVURJKSA-N 0 0 406.841 4.265 20 5 HIBDRN CC1(C)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@](C)(C(F)(F)F)O1 ZINC000550252337 941303678 /nfs/dbraw/zinc/30/36/78/941303678.db2.gz WYEIVIDOELXRKV-GOSISDBHSA-N 0 0 413.396 4.224 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1noc(-c2cccs2)n1 ZINC000550340447 941316995 /nfs/dbraw/zinc/31/69/95/941316995.db2.gz DOKNGVOMTGHMDD-UHFFFAOYSA-N 0 0 421.307 4.368 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cn(C)nc1-c1ccccc1 ZINC000550397268 941321836 /nfs/dbraw/zinc/32/18/36/941321836.db2.gz RFIFPLOAHPDGOK-UHFFFAOYSA-N 0 0 415.247 4.319 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CCCc4c(OC(F)F)cccc43)n2)c1 ZINC000550444413 941327688 /nfs/dbraw/zinc/32/76/88/941327688.db2.gz UTNIEFVMGDEJOG-UHFFFAOYSA-N 0 0 402.357 4.199 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000550551637 941337645 /nfs/dbraw/zinc/33/76/45/941337645.db2.gz HPELCYQXXLJCFZ-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN O=C(Nc1cccc(-c2ccccc2)c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000550690891 941354611 /nfs/dbraw/zinc/35/46/11/941354611.db2.gz BSBYSUSNSJGVAB-UHFFFAOYSA-N 0 0 415.449 4.392 20 5 HIBDRN O=[N+]([O-])c1ccc(NCCCc2nc(COc3ccc(Cl)c(F)c3)no2)cc1 ZINC000551155010 941419172 /nfs/dbraw/zinc/41/91/72/941419172.db2.gz RQQNPAVDIYXDEY-UHFFFAOYSA-N 0 0 406.801 4.394 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1ccc2[nH]ccc2c1 ZINC000551346468 941458252 /nfs/dbraw/zinc/45/82/52/941458252.db2.gz ZPAAKQRUMJMCTA-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1[N+](=O)[O-] ZINC000551367752 941463235 /nfs/dbraw/zinc/46/32/35/941463235.db2.gz AYNLHMCRCYPLNG-UHFFFAOYSA-N 0 0 411.458 4.258 20 5 HIBDRN Cc1cc(C(=O)N2CCOCC2)ccc1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000551452124 941482648 /nfs/dbraw/zinc/48/26/48/941482648.db2.gz JTJRMNKUODRXLH-UHFFFAOYSA-N 0 0 421.453 4.248 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000551495022 941489703 /nfs/dbraw/zinc/48/97/03/941489703.db2.gz GLWSNVNWFBSORU-FQEVSTJZSA-N 0 0 409.486 4.488 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(OCC3CC3)cc2)cc1[N+](=O)[O-] ZINC000551493812 941489772 /nfs/dbraw/zinc/48/97/72/941489772.db2.gz UMFSYIAJOIATRV-UHFFFAOYSA-N 0 0 411.458 4.258 20 5 HIBDRN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000551548114 941499018 /nfs/dbraw/zinc/49/90/18/941499018.db2.gz LZFNSLWZIQBVME-OAHLLOKOSA-N 0 0 402.756 4.385 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551691596 941527305 /nfs/dbraw/zinc/52/73/05/941527305.db2.gz XWXWSLIYYZTQBX-UHFFFAOYSA-N 0 0 409.820 4.187 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC=C(c2ccccc2)C1 ZINC000551697207 941528221 /nfs/dbraw/zinc/52/82/21/941528221.db2.gz FEWSFEFBVKPWDS-UHFFFAOYSA-N 0 0 401.260 4.216 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000551974572 941564876 /nfs/dbraw/zinc/56/48/76/941564876.db2.gz DBXHAAUMURPTNF-INIZCTEOSA-N 0 0 416.302 4.106 20 5 HIBDRN O=C(Nc1c(O)cc(Br)cc1Cl)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000552022388 941569726 /nfs/dbraw/zinc/56/97/26/941569726.db2.gz MEEFTPMEWVEBNA-UHFFFAOYSA-N 0 0 410.611 4.450 20 5 HIBDRN C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000552054182 941575057 /nfs/dbraw/zinc/57/50/57/941575057.db2.gz NLWBNBUQRNPRLJ-IFXJQAMLSA-N 0 0 400.866 4.128 20 5 HIBDRN C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000552062219 941577058 /nfs/dbraw/zinc/57/70/58/941577058.db2.gz QANGMRYHIWLLSA-AUUYWEPGSA-N 0 0 400.866 4.128 20 5 HIBDRN 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941620329 /nfs/dbraw/zinc/62/03/29/941620329.db2.gz AMMBONIVNYOMSK-OAQYLSRUSA-N 0 0 408.502 4.384 20 5 HIBDRN C[C@H]1COCC[C@H]1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000552336350 941636312 /nfs/dbraw/zinc/63/63/12/941636312.db2.gz ZYTGXPAZALARGJ-HOCLYGCPSA-N 0 0 417.893 4.263 20 5 HIBDRN Cc1c(Br)cc(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000552379220 941649971 /nfs/dbraw/zinc/64/99/71/941649971.db2.gz HDAQVVNZMZOHFR-JTQLQIEISA-N 0 0 403.236 4.033 20 5 HIBDRN COc1cc(CNc2ccc([C@H]3CCOC3)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000552382567 941651684 /nfs/dbraw/zinc/65/16/84/941651684.db2.gz XJQPLLCYCHEISR-AWEZNQCLSA-N 0 0 408.401 4.363 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000552419001 941665299 /nfs/dbraw/zinc/66/52/99/941665299.db2.gz VIRGIKIBDKUBKN-HXUWFJFHSA-N 0 0 422.403 4.440 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nccn1-c1ccccc1 ZINC000552441400 941672918 /nfs/dbraw/zinc/67/29/18/941672918.db2.gz BOHBYJIKYNQBGA-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000552491167 941687224 /nfs/dbraw/zinc/68/72/24/941687224.db2.gz FJWKUAXZUWNHHK-SNVBAGLBSA-N 0 0 416.787 4.020 20 5 HIBDRN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000552557649 941707037 /nfs/dbraw/zinc/70/70/37/941707037.db2.gz KUXPTWPORUKLAZ-UHFFFAOYSA-N 0 0 414.849 4.458 20 5 HIBDRN COc1cc(C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000552580922 941712277 /nfs/dbraw/zinc/71/22/77/941712277.db2.gz ZHQALPSTHQQTET-LJQANCHMSA-N 0 0 404.850 4.155 20 5 HIBDRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000552727109 941746136 /nfs/dbraw/zinc/74/61/36/941746136.db2.gz JZRNZQHTGPLAST-UHFFFAOYSA-N 0 0 402.756 4.462 20 5 HIBDRN Cn1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(-c2ccccc2)n1 ZINC000552741268 941749429 /nfs/dbraw/zinc/74/94/29/941749429.db2.gz DXAFKGWBTORPEQ-UHFFFAOYSA-N 0 0 401.220 4.010 20 5 HIBDRN CC(C)C(=O)Nc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000552745922 941751156 /nfs/dbraw/zinc/75/11/56/941751156.db2.gz ZPTKFTADYPHNAP-UHFFFAOYSA-N 0 0 406.236 4.204 20 5 HIBDRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000552827327 941779447 /nfs/dbraw/zinc/77/94/47/941779447.db2.gz QIJGLVBWXLZGJY-FZKQIMNGSA-N 0 0 408.376 4.145 20 5 HIBDRN CCOC(=O)C(C)(C)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000552842487 941785699 /nfs/dbraw/zinc/78/56/99/941785699.db2.gz FMSLILOARVHTAU-UHFFFAOYSA-N 0 0 404.488 4.251 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1nnc(-c2ccc(Cl)cc2)n1C ZINC000552901014 941800151 /nfs/dbraw/zinc/80/01/51/941800151.db2.gz QBRJSTOZKPGLQN-UHFFFAOYSA-N 0 0 418.862 4.290 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(-c3nc4ccccc4s3)o2)n1 ZINC000552910868 941801742 /nfs/dbraw/zinc/80/17/42/941801742.db2.gz BXRHWIADVADYIH-UHFFFAOYSA-N 0 0 410.411 4.258 20 5 HIBDRN CC(=O)c1cc(NCCNc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] ZINC000552912302 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4.498 20 5 HIBDRN O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000553212733 941850138 /nfs/dbraw/zinc/85/01/38/941850138.db2.gz UUFRISVLILUHBF-SFHVURJKSA-N 0 0 405.410 4.195 20 5 HIBDRN CNC(=O)c1ccc(N[C@H](CCOC)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000553226586 941852527 /nfs/dbraw/zinc/85/25/27/941852527.db2.gz UNIRXKYSKMOTRR-OAHLLOKOSA-N 0 0 412.273 4.451 20 5 HIBDRN CCCc1ccc(-c2nc(NC(=O)c3ccnc(NC)c3[N+](=O)[O-])sc2C)cc1 ZINC000553227141 941853152 /nfs/dbraw/zinc/85/31/52/941853152.db2.gz VBCQGZUWVGOJAE-UHFFFAOYSA-N 0 0 411.487 4.668 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000553261875 941858167 /nfs/dbraw/zinc/85/81/67/941858167.db2.gz WTNVEPZEUJDUKK-UHFFFAOYSA-N 0 0 410.257 4.128 20 5 HIBDRN CCSc1cccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 ZINC000553324863 941867723 /nfs/dbraw/zinc/86/77/23/941867723.db2.gz ZEJXRKOGZPNJTI-UHFFFAOYSA-N 0 0 424.526 4.498 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000553348568 941870914 /nfs/dbraw/zinc/87/09/14/941870914.db2.gz RLSMRTGTLVKAIU-GUYCJALGSA-N 0 0 424.375 4.020 20 5 HIBDRN COc1ccc(NC(=O)CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000553352866 941871908 /nfs/dbraw/zinc/87/19/08/941871908.db2.gz XAJTUCZQCNPSGY-FQEVSTJZSA-N 0 0 408.458 4.250 20 5 HIBDRN CNc1c(C(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC000553379018 941876231 /nfs/dbraw/zinc/87/62/31/941876231.db2.gz FXJWQRZRTBJHGQ-PXAZEXFGSA-N 0 0 423.391 4.258 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1c(F)cncc1F ZINC000553424727 941882373 /nfs/dbraw/zinc/88/23/73/941882373.db2.gz PPGOGTSOKSVWQE-CYBMUJFWSA-N 0 0 412.396 4.371 20 5 HIBDRN C[C@H](C(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000553432797 941883863 /nfs/dbraw/zinc/88/38/63/941883863.db2.gz WGJPECHZASAOSX-BTDLBPIBSA-N 0 0 415.248 4.384 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(C[S@@](=O)C3CCCCC3)c2)n1 ZINC000553436425 941884713 /nfs/dbraw/zinc/88/47/13/941884713.db2.gz AFYBPOPAYLWBDR-GDLZYMKVSA-N 0 0 417.487 4.101 20 5 HIBDRN CC[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000553437203 941884964 /nfs/dbraw/zinc/88/49/64/941884964.db2.gz PMDHYGWEAYKVFJ-LBPRGKRZSA-N 0 0 406.280 4.137 20 5 HIBDRN O=c1[nH]c(N2CCC([C@@H](F)c3ccccc3F)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000553573629 941912093 /nfs/dbraw/zinc/91/20/93/941912093.db2.gz JSZZCSNOZAIIDS-GOSISDBHSA-N 0 0 400.385 4.310 20 5 HIBDRN CC[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(OC)c1 ZINC000553719735 941951536 /nfs/dbraw/zinc/95/15/36/941951536.db2.gz LKPRJIYYXWQRJH-MRXNPFEDSA-N 0 0 407.854 4.216 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2c(C)cc(OC)c(C)c2C)cc1[N+](=O)[O-] ZINC000553730902 941954343 /nfs/dbraw/zinc/95/43/43/941954343.db2.gz FRGDPDNSTJVSLO-UHFFFAOYSA-N 0 0 404.488 4.409 20 5 HIBDRN C[C@H](CCOCc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000553742873 941957476 /nfs/dbraw/zinc/95/74/76/941957476.db2.gz JZKPVCPXOOCUAD-CQSZACIVSA-N 0 0 421.291 4.011 20 5 HIBDRN C[C@@H](C(=O)NC1(Cc2ccccc2Br)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000553786488 941968285 /nfs/dbraw/zinc/96/82/85/941968285.db2.gz JFZOMRBPAZXIOW-GFCCVEGCSA-N 0 0 421.266 4.491 20 5 HIBDRN C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1OCCc2sccc21 ZINC000553859261 941985202 /nfs/dbraw/zinc/98/52/02/941985202.db2.gz RLQZRBQMQWKJCA-VFZGTOFNSA-N 0 0 400.378 4.107 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000554060948 942027551 /nfs/dbraw/zinc/02/75/51/942027551.db2.gz GSDDIHWZPIGLRC-GFCCVEGCSA-N 0 0 411.384 4.067 20 5 HIBDRN CCOc1cc(NC(=O)N2CCOc3ccc(C)cc3C2)c([N+](=O)[O-])cc1OCC ZINC000554066727 942028356 /nfs/dbraw/zinc/02/83/56/942028356.db2.gz JTVZNSHDSKRNSE-UHFFFAOYSA-N 0 0 415.446 4.127 20 5 HIBDRN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000554075095 942030761 /nfs/dbraw/zinc/03/07/61/942030761.db2.gz QEAZJVTWWWAFPU-ACJLOTCBSA-N 0 0 414.849 4.260 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000554273397 942086411 /nfs/dbraw/zinc/08/64/11/942086411.db2.gz FHYVPFJOVFRMEQ-LBPRGKRZSA-N 0 0 404.776 4.463 20 5 HIBDRN O=C(CN1CCCC[C@@H]1c1nnc(C2CCC2)o1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554276947 942087611 /nfs/dbraw/zinc/08/76/11/942087611.db2.gz LZKACQILPKPZAC-MRXNPFEDSA-N 0 0 419.869 4.064 20 5 HIBDRN CSC[C@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000554278748 942088459 /nfs/dbraw/zinc/08/84/59/942088459.db2.gz VTPYEKFNDQAYBG-LBPRGKRZSA-N 0 0 405.442 4.017 20 5 HIBDRN COc1cc(CN[C@H](CCO)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000554283127 942089997 /nfs/dbraw/zinc/08/99/97/942089997.db2.gz KJFNPDFLHPIQJZ-CQSZACIVSA-N 0 0 416.808 4.072 20 5 HIBDRN Cc1c(NC(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cccc1[N+](=O)[O-] ZINC000554348540 942109982 /nfs/dbraw/zinc/10/99/82/942109982.db2.gz IXZLVHMQHXLKDE-LJQANCHMSA-N 0 0 423.391 4.445 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000554356424 942112503 /nfs/dbraw/zinc/11/25/03/942112503.db2.gz QRIRFWNNAFLZSC-IBGZPJMESA-N 0 0 424.501 4.039 20 5 HIBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1OCC(F)F ZINC000554496766 942160451 /nfs/dbraw/zinc/16/04/51/942160451.db2.gz GDBYDARHWSDLLM-UHFFFAOYSA-N 0 0 415.780 4.093 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1c(-c2cccs2)nc2ccccn21 ZINC000554612558 942176038 /nfs/dbraw/zinc/17/60/38/942176038.db2.gz UNUITKOMUXOVNY-UHFFFAOYSA-N 0 0 408.439 4.379 20 5 HIBDRN CC(=O)N(c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000554647145 942186000 /nfs/dbraw/zinc/18/60/00/942186000.db2.gz NAEOLWQIFIRSTR-LBPRGKRZSA-N 0 0 417.849 4.170 20 5 HIBDRN COc1cc(CNCc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OCC(F)F ZINC000554718462 942209631 /nfs/dbraw/zinc/20/96/31/942209631.db2.gz TZTSRVVNIUOMTE-UHFFFAOYSA-N 0 0 416.808 4.199 20 5 HIBDRN CCc1cc(NC(=O)c2ncoc2-c2ccc(OC)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000554736275 942215736 /nfs/dbraw/zinc/21/57/36/942215736.db2.gz CITHIMVIYBENOP-UHFFFAOYSA-N 0 0 418.409 4.043 20 5 HIBDRN CCOc1ccccc1C(=O)N1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000554788527 942238466 /nfs/dbraw/zinc/23/84/66/942238466.db2.gz FMFRDXGRAIKWJX-QGZVFWFLSA-N 0 0 408.414 4.021 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2n[nH]c(-c3ccccc3)n2)no1 ZINC000554808400 942251326 /nfs/dbraw/zinc/25/13/26/942251326.db2.gz PPXAZOFHXZKOQO-OAHLLOKOSA-N 0 0 404.430 4.090 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc4c(c3)nc(C(F)F)n4C)n2)c1 ZINC000554826137 942265838 /nfs/dbraw/zinc/26/58/38/942265838.db2.gz XBBHSJRORYSURL-UHFFFAOYSA-N 0 0 415.356 4.069 20 5 HIBDRN COc1cccc(-c2nc(C3(c4cccc(Br)c4)CC3)no2)c1[N+](=O)[O-] ZINC000554833779 942271479 /nfs/dbraw/zinc/27/14/79/942271479.db2.gz CLXVDOVIFDBVOK-UHFFFAOYSA-N 0 0 416.231 4.496 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000554868364 942301468 /nfs/dbraw/zinc/30/14/68/942301468.db2.gz AZRVJNZUUVIODB-UHFFFAOYSA-N 0 0 414.206 4.342 20 5 HIBDRN CSc1cnn(-c2ccccc2)c1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554874097 942303631 /nfs/dbraw/zinc/30/36/31/942303631.db2.gz OTIGSZLPHUWXLW-UHFFFAOYSA-N 0 0 411.487 4.209 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(Oc3ccc(C)nn3)c2)c1 ZINC000554899925 942312228 /nfs/dbraw/zinc/31/22/28/942312228.db2.gz LXOQWKKHUDQGJF-UHFFFAOYSA-N 0 0 424.413 4.145 20 5 HIBDRN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000554913862 942317544 /nfs/dbraw/zinc/31/75/44/942317544.db2.gz MSIXVZJCCVYQBS-QXMXGUDHSA-N 0 0 423.395 4.290 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554943283 942326968 /nfs/dbraw/zinc/32/69/68/942326968.db2.gz QXAKMQBOEHQHRR-AWEZNQCLSA-N 0 0 421.881 4.368 20 5 HIBDRN CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000554969169 942337979 /nfs/dbraw/zinc/33/79/79/942337979.db2.gz FRCJOUFRMRIUSO-HNNXBMFYSA-N 0 0 406.442 4.361 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000554986211 942344003 /nfs/dbraw/zinc/34/40/03/942344003.db2.gz WCVSDOWOMMQQPU-BUXKBTBVSA-N 0 0 410.804 4.252 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nccn2Cc2ccccc2Cl)c1 ZINC000555011451 942355070 /nfs/dbraw/zinc/35/50/70/942355070.db2.gz MPDQFCDIRHQCTM-UHFFFAOYSA-N 0 0 400.822 4.144 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000555058804 942372603 /nfs/dbraw/zinc/37/26/03/942372603.db2.gz BBKYGRPWTOBHSP-KRWDZBQOSA-N 0 0 423.448 4.112 20 5 HIBDRN COc1ccc(CSCC(=O)NCc2ccc3sccc3c2)cc1[N+](=O)[O-] ZINC000555072527 942376757 /nfs/dbraw/zinc/37/67/57/942376757.db2.gz RCNXWELRDMOLMH-UHFFFAOYSA-N 0 0 402.497 4.368 20 5 HIBDRN COc1cccc(C2(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)c1 ZINC000555116898 942389527 /nfs/dbraw/zinc/38/95/27/942389527.db2.gz MPKURJKQCBGKRH-UHFFFAOYSA-N 0 0 412.489 4.011 20 5 HIBDRN COCCOc1ccc(-c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)cc1F ZINC000555121275 942390275 /nfs/dbraw/zinc/39/02/75/942390275.db2.gz VXIAMUKTQUJKNW-QPJJXVBHSA-N 0 0 403.341 4.119 20 5 HIBDRN Cc1cc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nn1C1CCCCC1 ZINC000555126632 942393591 /nfs/dbraw/zinc/39/35/91/942393591.db2.gz BCHNEHXNVUANPE-CYBMUJFWSA-N 0 0 405.886 4.697 20 5 HIBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000555134346 942398152 /nfs/dbraw/zinc/39/81/52/942398152.db2.gz CALNATUJUPQWOP-AWEZNQCLSA-N 0 0 421.519 4.196 20 5 HIBDRN CCc1nc2cc(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)ccc2n1C1CC1 ZINC000555175342 942417486 /nfs/dbraw/zinc/41/74/86/942417486.db2.gz HXLVTQVFGBAKRM-UHFFFAOYSA-N 0 0 403.442 4.253 20 5 HIBDRN CCOC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)C1 ZINC000555180697 942420548 /nfs/dbraw/zinc/42/05/48/942420548.db2.gz RECZIOBRDXYGDS-IBGZPJMESA-N 0 0 421.501 4.155 20 5 HIBDRN COC(=O)c1csc(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n1 ZINC000555252305 942446705 /nfs/dbraw/zinc/44/67/05/942446705.db2.gz PHMVEYVLVZQKME-UHFFFAOYSA-N 0 0 400.437 4.220 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccccc1F ZINC000555269422 942456098 /nfs/dbraw/zinc/45/60/98/942456098.db2.gz WTRLBXOTJXAVAA-UHFFFAOYSA-N 0 0 413.453 4.055 20 5 HIBDRN O=C(Nc1csc(-c2ccncc2)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555288144 942463378 /nfs/dbraw/zinc/46/33/78/942463378.db2.gz ZRNYHJAFTAFBRR-UHFFFAOYSA-N 0 0 409.452 4.489 20 5 HIBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(C1)OCc1ccccc12 ZINC000555359669 942493680 /nfs/dbraw/zinc/49/36/80/942493680.db2.gz CTKPVRQMJJTHLF-HSZRJFAPSA-N 0 0 419.485 4.145 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@]4(CC=CCC4)C3)n2C[C@@H]2CCCO2)c1 ZINC000555381956 942504920 /nfs/dbraw/zinc/50/49/20/942504920.db2.gz VODAYJQCFXIKAO-REWPJTCUSA-N 0 0 423.517 4.359 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CC2CCCC2)n1C[C@H]1CCCCO1 ZINC000555491724 942593239 /nfs/dbraw/zinc/59/32/39/942593239.db2.gz XBXIJAGLUCAGMD-LJQANCHMSA-N 0 0 413.522 4.125 20 5 HIBDRN CNc1ccc(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)cc1[N+](=O)[O-] ZINC000555642175 942684369 /nfs/dbraw/zinc/68/43/69/942684369.db2.gz SOQPCWRPJKBCEB-UHFFFAOYSA-N 0 0 419.363 4.308 20 5 HIBDRN C[C@H](C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000555748193 942719367 /nfs/dbraw/zinc/71/93/67/942719367.db2.gz LKIANCLXTKGWLS-UFMUVLMGSA-N 0 0 409.269 4.122 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1csc(-c2ccco2)n1 ZINC000555853621 942755149 /nfs/dbraw/zinc/75/51/49/942755149.db2.gz NFKUOXJNDZSOKX-UHFFFAOYSA-N 0 0 422.260 4.312 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1cccn1C ZINC000555856636 942756501 /nfs/dbraw/zinc/75/65/01/942756501.db2.gz QNOJKCWZXDEPBW-KRWDZBQOSA-N 0 0 406.280 4.372 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000555869868 942759931 /nfs/dbraw/zinc/75/99/31/942759931.db2.gz SWXBOKXIPWDHRT-KRWDZBQOSA-N 0 0 423.238 4.019 20 5 HIBDRN CCn1ccnc1[C@@H]1CCCCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000556083771 942802800 /nfs/dbraw/zinc/80/28/00/942802800.db2.gz FCLHTSVWTNSDTR-AWEZNQCLSA-N 0 0 410.421 4.148 20 5 HIBDRN C[C@@H](c1cccc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1)N1CCOCC1 ZINC000556277587 942830917 /nfs/dbraw/zinc/83/09/17/942830917.db2.gz FTQJWBPWVSJCEG-INIZCTEOSA-N 0 0 408.458 4.255 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000556276045 942831175 /nfs/dbraw/zinc/83/11/75/942831175.db2.gz DTUHNPYJFSMXKX-LLVKDONJSA-N 0 0 414.314 4.482 20 5 HIBDRN CCOc1cc(OCC(=O)N(Cc2ccco2)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000556340459 942845441 /nfs/dbraw/zinc/84/54/41/942845441.db2.gz HKBJGAZZEFVNJM-UHFFFAOYSA-N 0 0 410.426 4.194 20 5 HIBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Oc1ccccc1Cl ZINC000556365566 942850766 /nfs/dbraw/zinc/85/07/66/942850766.db2.gz YSFWUUGBIWXMLU-JTQLQIEISA-N 0 0 402.756 4.464 20 5 HIBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2cccs2)C2Cc3ccccc3C2)c1 ZINC000556407388 942858073 /nfs/dbraw/zinc/85/80/73/942858073.db2.gz ZSXUMGCPIOLJKD-UHFFFAOYSA-N 0 0 414.508 4.015 20 5 HIBDRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000556437673 942866364 /nfs/dbraw/zinc/86/63/64/942866364.db2.gz CUDAWBFRBOGSOW-HNNXBMFYSA-N 0 0 424.423 4.243 20 5 HIBDRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556462119 942874791 /nfs/dbraw/zinc/87/47/91/942874791.db2.gz JILDQFNOHJYNSY-FQEVSTJZSA-N 0 0 422.485 4.060 20 5 HIBDRN O=C(Cc1ccc(OC(F)F)cc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556467687 942876216 /nfs/dbraw/zinc/87/62/16/942876216.db2.gz BBAHZHMGTFDNEN-UHFFFAOYSA-N 0 0 401.163 4.140 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCc3ccc(Br)cc3C2)c1 ZINC000556467526 942876278 /nfs/dbraw/zinc/87/62/78/942876278.db2.gz WITLMOBRKYPSPU-UHFFFAOYSA-N 0 0 419.275 4.020 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(F)(c2cccnc2)CC1 ZINC000556475144 942879509 /nfs/dbraw/zinc/87/95/09/942879509.db2.gz RMEDNCIDKZBNIQ-UHFFFAOYSA-N 0 0 415.468 4.037 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000556488345 942883152 /nfs/dbraw/zinc/88/31/52/942883152.db2.gz GAOLBMDCBGKWIR-ZWKOTPCHSA-N 0 0 404.898 4.376 20 5 HIBDRN Cc1c(NC(=O)CCN2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000556508435 942888318 /nfs/dbraw/zinc/88/83/18/942888318.db2.gz SJIBGELFYLRZPM-FQEVSTJZSA-N 0 0 407.392 4.081 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCC2CC(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000556539832 942894579 /nfs/dbraw/zinc/89/45/79/942894579.db2.gz POYXMATXWPTFRC-UHFFFAOYSA-N 0 0 409.486 4.141 20 5 HIBDRN C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)Sc1ccccc1 ZINC000556563333 942899148 /nfs/dbraw/zinc/89/91/48/942899148.db2.gz FQIATVMHTZYOQY-AWEZNQCLSA-N 0 0 415.515 4.128 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1F ZINC000556638450 942923097 /nfs/dbraw/zinc/92/30/97/942923097.db2.gz MYQBTHUYGYFQBG-CYBMUJFWSA-N 0 0 412.421 4.247 20 5 HIBDRN Cc1cccnc1OC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000556777911 942932109 /nfs/dbraw/zinc/93/21/09/942932109.db2.gz DQPWTGGQBBTSCY-UHFFFAOYSA-N 0 0 415.515 4.482 20 5 HIBDRN Cn1ccnc1[C@H](Nc1cccc(N2CCCCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000556887510 942952357 /nfs/dbraw/zinc/95/23/57/942952357.db2.gz YSMDWFBJKVFDMZ-OAQYLSRUSA-N 0 0 405.458 4.047 20 5 HIBDRN Cn1ccnc1[C@H](NCc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000556891141 942954489 /nfs/dbraw/zinc/95/44/89/942954489.db2.gz AQXQXIKTNNJZSV-JOCHJYFZSA-N 0 0 405.502 4.198 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000557076472 943014114 /nfs/dbraw/zinc/01/41/14/943014114.db2.gz PNTVEGAPRMJCIL-BEFAXECRSA-N 0 0 406.841 4.166 20 5 HIBDRN COc1ccc(NC(=O)CNc2ccccc2N(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000557325768 943072339 /nfs/dbraw/zinc/07/23/39/943072339.db2.gz XAZBCROATDXJTD-UHFFFAOYSA-N 0 0 420.469 4.290 20 5 HIBDRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557362550 943087927 /nfs/dbraw/zinc/08/79/27/943087927.db2.gz LVKCCQMZJDPUJE-QGZVFWFLSA-N 0 0 419.481 4.454 20 5 HIBDRN COCCCOc1ccc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1 ZINC000557364786 943088778 /nfs/dbraw/zinc/08/87/78/943088778.db2.gz NCNAIOLRUZMLJP-UHFFFAOYSA-N 0 0 421.453 4.002 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(F)cc1OC1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000557493695 943166600 /nfs/dbraw/zinc/16/66/00/943166600.db2.gz ADOAPRYPKNLIOY-LBPRGKRZSA-N 0 0 406.385 4.173 20 5 HIBDRN O=C(NC1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1)c1ccsc1 ZINC000557519327 943185625 /nfs/dbraw/zinc/18/56/25/943185625.db2.gz PUQZYEAKUXZUDY-UHFFFAOYSA-N 0 0 400.287 4.362 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@H]2CCCc3cc(OC(F)F)ccc32)c1[N+](=O)[O-] ZINC000557541841 943199755 /nfs/dbraw/zinc/19/97/55/943199755.db2.gz WKDPIWNOKQLTQH-HNNXBMFYSA-N 0 0 407.373 4.176 20 5 HIBDRN CC(=O)N1CCN(c2ccccc2CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000557566321 943212256 /nfs/dbraw/zinc/21/22/56/943212256.db2.gz GMFXSGBHOOAUSZ-UHFFFAOYSA-N 0 0 423.300 4.182 20 5 HIBDRN CC1(c2cccc(Br)c2)CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000557618365 943234513 /nfs/dbraw/zinc/23/45/13/943234513.db2.gz NJBUPPRDOCFEBW-UHFFFAOYSA-N 0 0 418.291 4.014 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2NCc2cc3cc(Br)ccc3[nH]2)s1 ZINC000557636719 943241781 /nfs/dbraw/zinc/24/17/81/943241781.db2.gz GDRZNXZGNXQHTK-UHFFFAOYSA-N 0 0 404.249 4.455 20 5 HIBDRN C[C@@H]1COCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000557651755 943248554 /nfs/dbraw/zinc/24/85/54/943248554.db2.gz HVAWRNJCLDGWTG-HUUCEWRRSA-N 0 0 417.893 4.263 20 5 HIBDRN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000557762928 943283678 /nfs/dbraw/zinc/28/36/78/943283678.db2.gz XKCUODRKILLAFX-FZKQIMNGSA-N 0 0 408.376 4.145 20 5 HIBDRN Cc1cc(C)c(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OCc2ccccc2)n1 ZINC000557820271 943304226 /nfs/dbraw/zinc/30/42/26/943304226.db2.gz SNXFPRJFAPZDFZ-UHFFFAOYSA-N 0 0 412.467 4.160 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000557898915 943323249 /nfs/dbraw/zinc/32/32/49/943323249.db2.gz COFOIGMVACVFKF-UHFFFAOYSA-N 0 0 418.906 4.285 20 5 HIBDRN COc1ccc(CC(=O)NCC2(OC)CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000557944518 943336127 /nfs/dbraw/zinc/33/61/27/943336127.db2.gz YHROJVIRIWKEOD-UHFFFAOYSA-N 0 0 412.486 4.005 20 5 HIBDRN COc1ccc(-c2cnc(CCC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000557975138 943344614 /nfs/dbraw/zinc/34/46/14/943344614.db2.gz QDUSMRBYLMFYFY-UHFFFAOYSA-N 0 0 409.442 4.243 20 5 HIBDRN C[C@H](C(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1ccc([N+](=O)[O-])cc1F ZINC000557979387 943345897 /nfs/dbraw/zinc/34/58/97/943345897.db2.gz JQNMRMYHZVBHDI-QMMMGPOBSA-N 0 0 406.282 4.451 20 5 HIBDRN O=C(NCCC1(F)CCC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000557981259 943345968 /nfs/dbraw/zinc/34/59/68/943345968.db2.gz XSUGEYOIOILPJH-UHFFFAOYSA-N 0 0 401.225 4.099 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000558005376 943352850 /nfs/dbraw/zinc/35/28/50/943352850.db2.gz SEDKOPXLOJAPCC-FQEVSTJZSA-N 0 0 409.486 4.096 20 5 HIBDRN CCOc1cc(NC(=O)CCc2cccc(OC)c2F)c([N+](=O)[O-])cc1OCC ZINC000558022979 943358272 /nfs/dbraw/zinc/35/82/72/943358272.db2.gz LRKQDHPAIFUYHW-UHFFFAOYSA-N 0 0 406.410 4.111 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccccc1OC1CCC1 ZINC000558058412 943368922 /nfs/dbraw/zinc/36/89/22/943368922.db2.gz XNRBFOFOJMGEBM-UHFFFAOYSA-N 0 0 408.458 4.049 20 5 HIBDRN CN(C(=O)c1cncc(C(F)(F)F)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000558157830 943400240 /nfs/dbraw/zinc/40/02/40/943400240.db2.gz ANIPIDZGGBRPCK-UHFFFAOYSA-N 0 0 408.361 4.409 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000558264211 943466936 /nfs/dbraw/zinc/46/69/36/943466936.db2.gz QQBOEHWGOVOEIJ-SFHVURJKSA-N 0 0 409.446 4.023 20 5 HIBDRN Cc1cc(F)ccc1-c1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000558326126 943509437 /nfs/dbraw/zinc/50/94/37/943509437.db2.gz QJWPSGQXFFEAJD-SFHVURJKSA-N 0 0 410.405 4.378 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2c2nc([C@H]3CCCCS3)no2)ccc1[N+](=O)[O-] ZINC000558360407 943524902 /nfs/dbraw/zinc/52/49/02/943524902.db2.gz IYDSOAAGEMGNPV-HZPDHXFCSA-N 0 0 402.476 4.222 20 5 HIBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@H](NC(=O)c2ccccc2)C2CC2)no1 ZINC000558395556 943546381 /nfs/dbraw/zinc/54/63/81/943546381.db2.gz VHWNNKZDROZIFF-JKIKYLSZSA-N 0 0 404.426 4.419 20 5 HIBDRN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000558408735 943551823 /nfs/dbraw/zinc/55/18/23/943551823.db2.gz INKLBRMHYSYRLH-CYBMUJFWSA-N 0 0 421.375 4.105 20 5 HIBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1C(F)(F)F ZINC000558470621 943568395 /nfs/dbraw/zinc/56/83/95/943568395.db2.gz XKFQSGBARXTKDL-UHFFFAOYSA-N 0 0 403.744 4.468 20 5 HIBDRN C[C@H](N[C@@H]1c2ccccc2CC12CCOCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000558489381 943573868 /nfs/dbraw/zinc/57/38/68/943573868.db2.gz ZDXUHRKOJNAAOC-MGPUTAFESA-N 0 0 420.469 4.390 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000558525427 943588309 /nfs/dbraw/zinc/58/83/09/943588309.db2.gz USQZDKLLRRGLPQ-SFHVURJKSA-N 0 0 419.428 4.278 20 5 HIBDRN Cn1cc(C(=O)N[C@@H]2CCc3sc(Cl)cc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000558579066 943607588 /nfs/dbraw/zinc/60/75/88/943607588.db2.gz TUUAITNRASWVEW-CQSZACIVSA-N 0 0 402.863 4.128 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000558700592 943630275 /nfs/dbraw/zinc/63/02/75/943630275.db2.gz MSBPJUPOXCAEHJ-SFHVURJKSA-N 0 0 411.355 4.394 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CSc3ccc(Br)cc32)c1 ZINC000558792324 943664928 /nfs/dbraw/zinc/66/49/28/943664928.db2.gz RRRBPLMWCGMCLE-AWEZNQCLSA-N 0 0 423.288 4.333 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)c1 ZINC000558806926 943671441 /nfs/dbraw/zinc/67/14/41/943671441.db2.gz DVTUWZXTTJKXSY-BFUOFWGJSA-N 0 0 404.850 4.249 20 5 HIBDRN CCO[C@H](C)c1nc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)cs1 ZINC000558882151 943716787 /nfs/dbraw/zinc/71/67/87/943716787.db2.gz BDTNLHOTTBPQCV-CYBMUJFWSA-N 0 0 416.507 4.064 20 5 HIBDRN Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2C)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000558905700 943739144 /nfs/dbraw/zinc/73/91/44/943739144.db2.gz HYXQNHVTTHHVHG-UHFFFAOYSA-N 0 0 419.363 4.123 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2C(=O)COc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000559013655 943804019 /nfs/dbraw/zinc/80/40/19/943804019.db2.gz UMGKTCHEHDTUSR-GOSISDBHSA-N 0 0 402.422 4.265 20 5 HIBDRN O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000559254404 943886501 /nfs/dbraw/zinc/88/65/01/943886501.db2.gz MSHSHRPQFCPUMQ-UHFFFAOYSA-N 0 0 415.356 4.409 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000559374951 943920812 /nfs/dbraw/zinc/92/08/12/943920812.db2.gz WJOSODSCFBEMBN-CQSZACIVSA-N 0 0 408.410 4.042 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)c2)no1 ZINC000559494461 943982630 /nfs/dbraw/zinc/98/26/30/943982630.db2.gz QLRPJLUYBXQXNY-UHFFFAOYSA-N 0 0 417.219 4.276 20 5 HIBDRN CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 ZINC000559537350 943996743 /nfs/dbraw/zinc/99/67/43/943996743.db2.gz JCKRIRHGQCRYAO-NSHDSACASA-N 0 0 420.263 4.115 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(c2ccccc2)CCOCC1 ZINC000559560242 944005210 /nfs/dbraw/zinc/00/52/10/944005210.db2.gz FOOWCPJWINKATC-UHFFFAOYSA-N 0 0 419.275 4.101 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(c2nccs2)CCCC1 ZINC000559576387 944009236 /nfs/dbraw/zinc/00/92/36/944009236.db2.gz FEHIMVLBFOZPQN-UHFFFAOYSA-N 0 0 410.293 4.322 20 5 HIBDRN O=C(Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000559712712 944034168 /nfs/dbraw/zinc/03/41/68/944034168.db2.gz RWZUIYIPFSXVEU-UHFFFAOYSA-N 0 0 414.381 4.169 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3)cn2)c(C)c([N+](=O)[O-])c1 ZINC000559739998 944041321 /nfs/dbraw/zinc/04/13/21/944041321.db2.gz 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CCOc1ccc(C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)cc1[N+](=O)[O-] ZINC000560134117 944172951 /nfs/dbraw/zinc/17/29/51/944172951.db2.gz YYIOKZCYJHXTNO-UHFFFAOYSA-N 0 0 417.893 4.308 20 5 HIBDRN Cc1nc(COc2cccc(C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)c2)no1 ZINC000560143091 944177142 /nfs/dbraw/zinc/17/71/42/944177142.db2.gz ZQMBRYLDNUZMNE-UHFFFAOYSA-N 0 0 410.430 4.415 20 5 HIBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000560278026 944216557 /nfs/dbraw/zinc/21/65/57/944216557.db2.gz WMSMYLVKXSAVKU-HNNXBMFYSA-N 0 0 421.453 4.018 20 5 HIBDRN COc1cccc(Oc2ccc(CNC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)cn2)c1 ZINC000560463472 944233933 /nfs/dbraw/zinc/23/39/33/944233933.db2.gz GQYWLPCPVYYYFR-HNNXBMFYSA-N 0 0 407.426 4.211 20 5 HIBDRN COCCC[C@@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000560708272 944302642 /nfs/dbraw/zinc/30/26/42/944302642.db2.gz CCOJSEOVLZQCKA-HNNXBMFYSA-N 0 0 406.866 4.197 20 5 HIBDRN Cc1n[nH]cc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 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CCOC(=O)CCc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000572923826 948041549 /nfs/dbraw/zinc/04/15/49/948041549.db2.gz QXNPQYLXRICVAZ-UHFFFAOYSA-N 0 0 423.372 4.336 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-])c1ccccn1 ZINC000573029054 948063647 /nfs/dbraw/zinc/06/36/47/948063647.db2.gz VXMGQZVWDPHJOR-JHVJFLLYSA-N 0 0 424.501 4.193 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)cc1[N+](=O)[O-] ZINC000573152048 948092708 /nfs/dbraw/zinc/09/27/08/948092708.db2.gz GIQWSPUBYCXFEG-KRWDZBQOSA-N 0 0 420.263 4.032 20 5 HIBDRN Cc1ccc(Cl)cc1N(C)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000573235676 948115262 /nfs/dbraw/zinc/11/52/62/948115262.db2.gz BLHYCMIWMRIQQZ-UHFFFAOYSA-N 0 0 417.878 4.113 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000573304888 948151965 /nfs/dbraw/zinc/15/19/65/948151965.db2.gz ULZMBCHWEDPVQS-UHFFFAOYSA-N 0 0 424.423 4.315 20 5 HIBDRN Cc1nc2cc(Cl)c(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cc2s1 ZINC000573420078 948202129 /nfs/dbraw/zinc/20/21/29/948202129.db2.gz GPUHLVKJOXNDSM-UHFFFAOYSA-N 0 0 405.819 4.190 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000573469258 948209252 /nfs/dbraw/zinc/20/92/52/948209252.db2.gz AOUHBROAEWVLCL-RLLPEYFOSA-N 0 0 408.498 4.195 20 5 HIBDRN CSc1cccc(-c2nc(CC(=O)Nc3ccc(F)c(Cl)c3)no2)c1[N+](=O)[O-] ZINC000573524818 948230291 /nfs/dbraw/zinc/23/02/91/948230291.db2.gz GIJFGFJOMIJVKO-UHFFFAOYSA-N 0 0 422.825 4.340 20 5 HIBDRN O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4nnc(-c5ccccc5)o4)no3)cc21 ZINC000573525650 948231792 /nfs/dbraw/zinc/23/17/92/948231792.db2.gz XYKXSWWHDLXCPG-UHFFFAOYSA-N 0 0 407.389 4.448 20 5 HIBDRN COc1cc(Cc2noc([C@H](C)Cn3ccc4ccccc43)n2)c([N+](=O)[O-])c(OC)c1 ZINC000573645075 948264381 /nfs/dbraw/zinc/26/43/81/948264381.db2.gz KRZWFAKNFYCEMG-CQSZACIVSA-N 0 0 422.441 4.344 20 5 HIBDRN CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(-c2ccc(OC)cc2)n1CC(C)C ZINC000573735234 948285383 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YLHZFEJLKUXDFE-KZULUSFZSA-N 0 0 424.375 4.224 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000573946350 948330879 /nfs/dbraw/zinc/33/08/79/948330879.db2.gz YLHZFEJLKUXDFE-XIKOKIGWSA-N 0 0 424.375 4.224 20 5 HIBDRN CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000573999613 948345382 /nfs/dbraw/zinc/34/53/82/948345382.db2.gz DVBQGGMTQRZOSI-HXUWFJFHSA-N 0 0 408.458 4.227 20 5 HIBDRN C[C@@H](OCCCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000574073437 948357870 /nfs/dbraw/zinc/35/78/70/948357870.db2.gz OSZAKQLGEJSNTQ-MRXNPFEDSA-N 0 0 410.474 4.086 20 5 HIBDRN CN(Cc1ccc(Cl)c(F)c1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000574248782 948398704 /nfs/dbraw/zinc/39/87/04/948398704.db2.gz DRVUXTOVAWLKDT-UHFFFAOYSA-N 0 0 404.829 4.253 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000574286932 948402659 /nfs/dbraw/zinc/40/26/59/948402659.db2.gz LNUCEFOHSOMPFQ-UHFFFAOYSA-N 0 0 410.499 4.411 20 5 HIBDRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000574300928 948405212 /nfs/dbraw/zinc/40/52/12/948405212.db2.gz FYWCCLYJKPAQAR-UHFFFAOYSA-N 0 0 402.756 4.462 20 5 HIBDRN COCCOCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000574484596 948455519 /nfs/dbraw/zinc/45/55/19/948455519.db2.gz NYIQCKIMINEJOA-UHFFFAOYSA-N 0 0 424.906 4.134 20 5 HIBDRN CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000574571340 948480720 /nfs/dbraw/zinc/48/07/20/948480720.db2.gz QLQPQLIRARVZPT-INIZCTEOSA-N 0 0 406.486 4.474 20 5 HIBDRN COCCOc1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1F ZINC000574606223 948490748 /nfs/dbraw/zinc/49/07/48/948490748.db2.gz HHCUKPSEKPHYNQ-UHFFFAOYSA-N 0 0 402.300 4.030 20 5 HIBDRN O=C(NC1(c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)CCCC1)c1ccccc1 ZINC000574725049 948514772 /nfs/dbraw/zinc/51/47/72/948514772.db2.gz MUWKSQIGZRVDGM-JLHYYAGUSA-N 0 0 404.426 4.348 20 5 HIBDRN COc1cc(CN(CCc2ccccc2)Cc2cccnc2)c([N+](=O)[O-])cc1OC ZINC000574846384 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402.472 4.116 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1Cl ZINC000014123921 845926883 /nfs/dbraw/zinc/92/68/83/845926883.db2.gz MAPJCVFBZHBTHS-UHFFFAOYSA-N 0 0 412.627 4.221 20 5 HIBDRN CSc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000014401153 845946724 /nfs/dbraw/zinc/94/67/24/845946724.db2.gz HJNKKWFRQRXYES-INIZCTEOSA-N 0 0 402.472 4.130 20 5 HIBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N(CCc1ccccc1)Cc1ccccc1 ZINC000014730744 845975864 /nfs/dbraw/zinc/97/58/64/845975864.db2.gz IJAIDGQLJSSVRS-UHFFFAOYSA-N 0 0 414.465 4.216 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(N2CCCCC2)nc1 ZINC000014809831 845983179 /nfs/dbraw/zinc/98/31/79/845983179.db2.gz GCDQPRFPFVVYNK-UHFFFAOYSA-N 0 0 412.493 4.179 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000015000734 845997570 /nfs/dbraw/zinc/99/75/70/845997570.db2.gz LIKFBPKYBMITNJ-UHFFFAOYSA-N 0 0 409.364 4.023 20 5 HIBDRN Cc1nc(-c2ccc(CCNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)cs1 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ZINC000018077709 846292049 /nfs/dbraw/zinc/29/20/49/846292049.db2.gz USDSXEMGBFDGMT-UHFFFAOYSA-N 0 0 421.409 4.117 20 5 HIBDRN COc1ccc(C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC000018109969 846297736 /nfs/dbraw/zinc/29/77/36/846297736.db2.gz LAGDIUMYVCKMLU-QFIPXVFZSA-N 0 0 420.465 4.255 20 5 HIBDRN Cc1cc(C2=N/C(=C\c3cc(Cl)c4c(c3)OCCCO4)C(=O)O2)ccc1[N+](=O)[O-] ZINC000018137149 846300799 /nfs/dbraw/zinc/30/07/99/846300799.db2.gz PAAAZMTZETZPKR-DHDCSXOGSA-N 0 0 414.801 4.062 20 5 HIBDRN Cc1cccc2c(=O)n(CC(=O)OCc3nc4ccccc4c4ccccc34)cnc12 ZINC000018401612 846324570 /nfs/dbraw/zinc/32/45/70/846324570.db2.gz FHEXETMGJOUMFO-UHFFFAOYSA-N 0 0 409.445 4.150 20 5 HIBDRN C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)Nc1cc(F)ccc1F ZINC000018456683 846327572 /nfs/dbraw/zinc/32/75/72/846327572.db2.gz AFFKUQWXEFIASQ-NSHDSACASA-N 0 0 406.385 4.355 20 5 HIBDRN CC(C)CNc1nnc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000018664039 846336441 /nfs/dbraw/zinc/33/64/41/846336441.db2.gz ULPHTQXWVFABBP-JTQLQIEISA-N 0 0 406.493 4.418 20 5 HIBDRN Cc1nc(-c2ccccc2)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000018765577 846340649 /nfs/dbraw/zinc/34/06/49/846340649.db2.gz KCLNEZXFGVOHCZ-LBPRGKRZSA-N 0 0 411.439 4.211 20 5 HIBDRN Cc1nc(-c2ccccc2)c(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000018765595 846341030 /nfs/dbraw/zinc/34/10/30/846341030.db2.gz UBKYWHXZWPGIGZ-GFCCVEGCSA-N 0 0 411.439 4.211 20 5 HIBDRN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(Br)s1 ZINC000018939820 846346056 /nfs/dbraw/zinc/34/60/56/846346056.db2.gz AOWQYEGOTNHHJQ-UHFFFAOYSA-N 0 0 418.700 4.143 20 5 HIBDRN CCC(C)(C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000018954887 846349781 /nfs/dbraw/zinc/34/97/81/846349781.db2.gz UEFJOJGCCUZTRJ-UHFFFAOYSA-N 0 0 402.472 4.208 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cccc([N+](=O)[O-])c1 ZINC000018968532 846350351 /nfs/dbraw/zinc/35/03/51/846350351.db2.gz VAFAGYRMVFYRQA-UHFFFAOYSA-N 0 0 413.308 4.067 20 5 HIBDRN CCCCCCn1nc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2ccccc2c1=O ZINC000019163414 846354287 /nfs/dbraw/zinc/35/42/87/846354287.db2.gz SVRBHNQWWXDSQS-UHFFFAOYSA-N 0 0 412.421 4.276 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000019284731 846361384 /nfs/dbraw/zinc/36/13/84/846361384.db2.gz ITRAKFGXVJFEQD-NRFANRHFSA-N 0 0 420.421 4.449 20 5 HIBDRN COc1ccc([C@H]2Nc3ccccc3C(=O)N2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000019355745 846363603 /nfs/dbraw/zinc/36/36/03/846363603.db2.gz GGMGVMQCOOXEBZ-NRFANRHFSA-N 0 0 405.410 4.037 20 5 HIBDRN O=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1cc([N+](=O)[O-])ccc1F ZINC000020918996 846394591 /nfs/dbraw/zinc/39/45/91/846394591.db2.gz JODZNRBUOKCUEN-UHFFFAOYSA-N 0 0 422.368 4.358 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)c(C)c1[N+](=O)[O-] ZINC000021137274 846408939 /nfs/dbraw/zinc/40/89/39/846408939.db2.gz ZHNINROWVAYGFF-UHFFFAOYSA-N 0 0 401.426 4.257 20 5 HIBDRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1C ZINC000021187164 846414940 /nfs/dbraw/zinc/41/49/40/846414940.db2.gz KCVNEGUHFDTGLE-KRWDZBQOSA-N 0 0 416.890 4.022 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000021676281 846481764 /nfs/dbraw/zinc/48/17/64/846481764.db2.gz BKGDVMZZWUZSHA-UHFFFAOYSA-N 0 0 421.240 4.164 20 5 HIBDRN C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021689954 846484221 /nfs/dbraw/zinc/48/42/21/846484221.db2.gz KJFFXUHAQKGPBC-JTQLQIEISA-N 0 0 419.463 4.448 20 5 HIBDRN C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000021740914 846489789 /nfs/dbraw/zinc/48/97/89/846489789.db2.gz LNRVLGPNPXWAQI-QWHCGFSZSA-N 0 0 422.890 4.149 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nnc1-c1ccccc1 ZINC000021866625 846504388 /nfs/dbraw/zinc/50/43/88/846504388.db2.gz XLNALGYHRMHESV-CQSZACIVSA-N 0 0 411.487 4.301 20 5 HIBDRN COc1c(Br)c([N+](=O)[O-])c(NCc2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000022079245 846528688 /nfs/dbraw/zinc/52/86/88/846528688.db2.gz ICRSPXQIMIKHSG-UHFFFAOYSA-N 0 0 414.187 4.334 20 5 HIBDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c12 ZINC000022135498 846535066 /nfs/dbraw/zinc/53/50/66/846535066.db2.gz JQEXPPCJCUSJBK-UHFFFAOYSA-N 0 0 401.426 4.413 20 5 HIBDRN CSc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000022161732 846539062 /nfs/dbraw/zinc/53/90/62/846539062.db2.gz ZAEUWXIQMMEPKY-NSHDSACASA-N 0 0 406.485 4.223 20 5 HIBDRN COC(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000022222708 846546815 /nfs/dbraw/zinc/54/68/15/846546815.db2.gz JEUCJBXTWZTHKZ-UHFFFAOYSA-N 0 0 422.393 4.191 20 5 HIBDRN CNc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000022273165 846552025 /nfs/dbraw/zinc/55/20/25/846552025.db2.gz YIHNQOZQAOHBIQ-LSDHHAIUSA-N 0 0 421.453 4.212 20 5 HIBDRN CN(CCCC(=O)OC(C)(C)C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436360287 861691023 /nfs/dbraw/zinc/69/10/23/861691023.db2.gz FTFPRHHOTWZUIT-UHFFFAOYSA-N 0 0 412.461 4.014 20 5 HIBDRN Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2C)cc1 ZINC000022359728 846561098 /nfs/dbraw/zinc/56/10/98/846561098.db2.gz UYTMLEDULBYGOZ-AWEZNQCLSA-N 0 0 411.487 4.126 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000022469705 846575297 /nfs/dbraw/zinc/57/52/97/846575297.db2.gz KHRNAGDHUCWLDZ-RISCZKNCSA-N 0 0 408.863 4.219 20 5 HIBDRN CCNc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(CC)cccc2CC)cc1[N+](=O)[O-] ZINC000022486566 846577426 /nfs/dbraw/zinc/57/74/26/846577426.db2.gz FRXHUUXBXLBOMH-AWEZNQCLSA-N 0 0 413.474 4.335 20 5 HIBDRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)NCC1(c2ccccc2)CCCC1 ZINC000022495262 846579384 /nfs/dbraw/zinc/57/93/84/846579384.db2.gz SPTVBAMPDHVKAH-UHFFFAOYSA-N 0 0 416.861 4.033 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000022495799 846579530 /nfs/dbraw/zinc/57/95/30/846579530.db2.gz MWFOROQMZFYHGZ-GHMZBOCLSA-N 0 0 411.241 4.324 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)cc1C ZINC000022559719 846587419 /nfs/dbraw/zinc/58/74/19/846587419.db2.gz DPNZPBGJQNGAOH-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)Cc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000022674887 846601962 /nfs/dbraw/zinc/60/19/62/846601962.db2.gz VACRPRRALUDSHT-NSHDSACASA-N 0 0 411.241 4.323 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000022740098 846612524 /nfs/dbraw/zinc/61/25/24/846612524.db2.gz QXBSFFXNVNERMN-UHFFFAOYSA-N 0 0 420.447 4.139 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000022793605 846621677 /nfs/dbraw/zinc/62/16/77/846621677.db2.gz WXUSVOJBNWCGDI-GHMZBOCLSA-N 0 0 411.241 4.324 20 5 HIBDRN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(Cl)s2)NC(=S)N1C ZINC000022827215 846626118 /nfs/dbraw/zinc/62/61/18/846626118.db2.gz GJXGTTXJUDKRSN-OAHLLOKOSA-N 0 0 422.919 4.083 20 5 HIBDRN CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000022833805 846627650 /nfs/dbraw/zinc/62/76/50/846627650.db2.gz QOQMVRLHVURZJX-AWEZNQCLSA-N 0 0 422.393 4.241 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000023011170 846647615 /nfs/dbraw/zinc/64/76/15/846647615.db2.gz WCCDHGUPKJYIFE-UHFFFAOYSA-N 0 0 406.398 4.500 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000436368276 861704339 /nfs/dbraw/zinc/70/43/39/861704339.db2.gz XAAUSCWSJJCEHO-QFIPXVFZSA-N 0 0 420.415 4.173 20 5 HIBDRN CN(C(=O)COc1cc(F)ccc1[N+](=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000023209826 846670529 /nfs/dbraw/zinc/67/05/29/846670529.db2.gz JAIBKXOKKFIJIV-QFIPXVFZSA-N 0 0 412.392 4.500 20 5 HIBDRN COCCNc1nnc(Sc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000023245656 846675796 /nfs/dbraw/zinc/67/57/96/846675796.db2.gz RGCGWEDMKAQZTB-UHFFFAOYSA-N 0 0 414.818 4.328 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cccc1[N+](=O)[O-] ZINC000023493209 846708684 /nfs/dbraw/zinc/70/86/84/846708684.db2.gz APUOEPFVMANNAL-AWEZNQCLSA-N 0 0 421.453 4.447 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000023510282 846711807 /nfs/dbraw/zinc/71/18/07/846711807.db2.gz PUYCWIGBRZCNEY-GFCCVEGCSA-N 0 0 414.405 4.333 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000023512107 846712673 /nfs/dbraw/zinc/71/26/73/846712673.db2.gz AUXONCYBIPTZKS-CQSZACIVSA-N 0 0 423.498 4.481 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 ZINC000023686557 846739672 /nfs/dbraw/zinc/73/96/72/846739672.db2.gz YETKGQSEXZBEQI-UHFFFAOYSA-N 0 0 424.482 4.094 20 5 HIBDRN CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000023768218 846748165 /nfs/dbraw/zinc/74/81/65/846748165.db2.gz LXMLQZNLJHQZTB-OAHLLOKOSA-N 0 0 413.474 4.057 20 5 HIBDRN COc1ccccc1Nc1nnc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000024067685 846783299 /nfs/dbraw/zinc/78/32/99/846783299.db2.gz UQDSQTQOBCRICB-UHFFFAOYSA-N 0 0 405.417 4.258 20 5 HIBDRN CCOc1cc2c(cc1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000024081274 846786580 /nfs/dbraw/zinc/78/65/80/846786580.db2.gz OYGCNTGRCIGCLA-ZIAGYGMSSA-N 0 0 416.499 4.114 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)CSc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000024124511 846793274 /nfs/dbraw/zinc/79/32/74/846793274.db2.gz ANOVWLSOZSZIMG-LBPRGKRZSA-N 0 0 408.863 4.219 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000024122913 846793303 /nfs/dbraw/zinc/79/33/03/846793303.db2.gz CARCUPJCMGLCHO-OAHLLOKOSA-N 0 0 420.849 4.008 20 5 HIBDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000024232052 846804930 /nfs/dbraw/zinc/80/49/30/846804930.db2.gz BYJRUVLUSKYYBH-UHFFFAOYSA-N 0 0 417.878 4.177 20 5 HIBDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000024305037 846811724 /nfs/dbraw/zinc/81/17/24/846811724.db2.gz IZUNCCLDOHLQIR-UHFFFAOYSA-N 0 0 417.878 4.177 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(OCC(C)C)c2)cccc1[N+](=O)[O-] ZINC000024360871 846817347 /nfs/dbraw/zinc/81/73/47/846817347.db2.gz FYFLJXNBUOUSKU-HNNXBMFYSA-N 0 0 400.431 4.122 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)NCCc1ccc(F)cc1 ZINC000024440372 846824297 /nfs/dbraw/zinc/82/42/97/846824297.db2.gz YKKVLMNLIIDRGJ-UHFFFAOYSA-N 0 0 400.431 4.200 20 5 HIBDRN Cc1sc(NC(=O)c2cc([N+](=O)[O-])cn2C)nc1-c1ccc(Br)cc1 ZINC000024478857 846830444 /nfs/dbraw/zinc/83/04/44/846830444.db2.gz IASARMGMKDJIRN-UHFFFAOYSA-N 0 0 421.276 4.380 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc([N+](=O)[O-])c1 ZINC000024585161 846842823 /nfs/dbraw/zinc/84/28/23/846842823.db2.gz MUWLSNUTKSQPNS-ZDUSSCGKSA-N 0 0 400.456 4.303 20 5 HIBDRN COCCOc1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ccc1OC ZINC000024938453 846892732 /nfs/dbraw/zinc/89/27/32/846892732.db2.gz OBKWTGMIJIZOHN-UHFFFAOYSA-N 0 0 402.447 4.178 20 5 HIBDRN CCN(C(C)=O)c1nc(CSc2nc3cc4ccccc4cc3c(=O)n2C)cs1 ZINC000024970246 846898371 /nfs/dbraw/zinc/89/83/71/846898371.db2.gz KAQUUTMDYDWWJQ-UHFFFAOYSA-N 0 0 424.551 4.208 20 5 HIBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1sc2ccccc2c1Cl ZINC000025037075 846909767 /nfs/dbraw/zinc/90/97/67/846909767.db2.gz DKYQUWKOCXSQTO-UHFFFAOYSA-N 0 0 418.814 4.114 20 5 HIBDRN CSc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1[N+](=O)[O-] ZINC000025038411 846910058 /nfs/dbraw/zinc/91/00/58/846910058.db2.gz KKHKOFREKNDNGO-UHFFFAOYSA-N 0 0 402.457 4.137 20 5 HIBDRN C[C@H](OC(=O)CSc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1Cl ZINC000025058538 846915497 /nfs/dbraw/zinc/91/54/97/846915497.db2.gz XTGMKVMNAJKSSL-JTQLQIEISA-N 0 0 412.826 4.050 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc2c(cccc2F)s1 ZINC000025106126 846927707 /nfs/dbraw/zinc/92/77/07/846927707.db2.gz WBGWQEHIQYKNKH-SNVBAGLBSA-N 0 0 418.402 4.141 20 5 HIBDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000025125349 846931411 /nfs/dbraw/zinc/93/14/11/846931411.db2.gz CVXAXDGXRGBYHC-UHFFFAOYSA-N 0 0 417.878 4.177 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccccc1Br ZINC000025169850 846936745 /nfs/dbraw/zinc/93/67/45/846936745.db2.gz RNDYHRWJMBYBSG-LBPRGKRZSA-N 0 0 409.305 4.497 20 5 HIBDRN COc1cccc(-n2ccnc2S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000025366558 846967963 /nfs/dbraw/zinc/96/79/63/846967963.db2.gz NAFXFSVCGHQZCX-CQSZACIVSA-N 0 0 412.471 4.217 20 5 HIBDRN CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000025387051 846971432 /nfs/dbraw/zinc/97/14/32/846971432.db2.gz UCWKTFFLVCIDGO-LBPRGKRZSA-N 0 0 406.822 4.139 20 5 HIBDRN COc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cc1ccccc1 ZINC000025387744 846971540 /nfs/dbraw/zinc/97/15/40/846971540.db2.gz WPVDFTMVGSJYKX-UHFFFAOYSA-N 0 0 406.394 4.175 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccccc2OC(F)F)cc1OC ZINC000025790379 847038088 /nfs/dbraw/zinc/03/80/88/847038088.db2.gz WYBPQRCCFYXCIG-NSHDSACASA-N 0 0 410.373 4.095 20 5 HIBDRN CN(Cc1ccc(Br)s1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025923530 847058268 /nfs/dbraw/zinc/05/82/68/847058268.db2.gz WHZCREKOSRHHBR-UHFFFAOYSA-N 0 0 409.265 4.101 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CCC(CCc4ccc(O)cc4)CC3)n2)c1 ZINC000025937502 847060358 /nfs/dbraw/zinc/06/03/58/847060358.db2.gz ZFWUVSICNVIXAI-UHFFFAOYSA-N 0 0 408.458 4.195 20 5 HIBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000026090403 847081235 /nfs/dbraw/zinc/08/12/35/847081235.db2.gz XSMCURRWMNJFMD-UHFFFAOYSA-N 0 0 423.494 4.226 20 5 HIBDRN CC(=O)Nc1cccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2C2CC2)c1 ZINC000026132152 847092572 /nfs/dbraw/zinc/09/25/72/847092572.db2.gz ZCPRGLWSDXDXEM-UHFFFAOYSA-N 0 0 409.471 4.304 20 5 HIBDRN NC(=O)c1ccc(CNc2ccc(Br)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000026161832 847097555 /nfs/dbraw/zinc/09/75/55/847097555.db2.gz BUZGEMMCUTUOCH-UHFFFAOYSA-N 0 0 418.169 4.087 20 5 HIBDRN O=C(COC(=O)c1cc2ccc(F)cc2s1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000026221718 847106531 /nfs/dbraw/zinc/10/65/31/847106531.db2.gz COLZXZHQWRRUII-UHFFFAOYSA-N 0 0 408.794 4.398 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(OCc2ccccn2)c1 ZINC000026246925 847110762 /nfs/dbraw/zinc/11/07/62/847110762.db2.gz ADDZOPIMCIPLFJ-UHFFFAOYSA-N 0 0 406.442 4.400 20 5 HIBDRN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000026330466 847126224 /nfs/dbraw/zinc/12/62/24/847126224.db2.gz MZKTUOHMZXHBMY-UHFFFAOYSA-N 0 0 406.423 4.168 20 5 HIBDRN Cc1nc(NC(=O)[C@@H](C)OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)sc1C ZINC000026342549 847127820 /nfs/dbraw/zinc/12/78/20/847127820.db2.gz VOMORMSDLGWMMK-LLVKDONJSA-N 0 0 405.476 4.150 20 5 HIBDRN O=C(CCSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000026368397 847135407 /nfs/dbraw/zinc/13/54/07/847135407.db2.gz BZJUHEOTGOPDCY-UHFFFAOYSA-N 0 0 404.835 4.419 20 5 HIBDRN CC(C)[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000026383443 847137852 /nfs/dbraw/zinc/13/78/52/847137852.db2.gz NHFZXRQQCMNTOA-XOBRGWDASA-N 0 0 416.499 4.360 20 5 HIBDRN O=C(CCSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000026408565 847140064 /nfs/dbraw/zinc/14/00/64/847140064.db2.gz HWXLJFCYCLDCFW-UHFFFAOYSA-N 0 0 404.835 4.419 20 5 HIBDRN COc1cc2c(cc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])oc1ccccc12 ZINC000026534785 847165578 /nfs/dbraw/zinc/16/55/78/847165578.db2.gz TXEYNNJVGVACEN-UHFFFAOYSA-N 0 0 420.377 4.333 20 5 HIBDRN CCOc1cc(C(=O)Nc2nc(-c3cccs3)cs2)c([N+](=O)[O-])cc1OC ZINC000026768472 847195488 /nfs/dbraw/zinc/19/54/88/847195488.db2.gz ZFBJNKWWQJOUMD-UHFFFAOYSA-N 0 0 405.457 4.439 20 5 HIBDRN Cc1cc2oc(=O)cc(CNc3cc([N+](=O)[O-])ccc3NCCO)c2cc1C(C)C ZINC000026781711 847196221 /nfs/dbraw/zinc/19/62/21/847196221.db2.gz NNUKZUJFYURBKM-UHFFFAOYSA-N 0 0 411.458 4.149 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2csc(-c3ccccc3)n2)cc1OC ZINC000026793842 847198238 /nfs/dbraw/zinc/19/82/38/847198238.db2.gz XLZKZXAWDRGTHK-UHFFFAOYSA-N 0 0 413.455 4.056 20 5 HIBDRN CC(C)(C)c1ccc(Cn2nccc2NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000026793513 847198570 /nfs/dbraw/zinc/19/85/70/847198570.db2.gz GWWNTMNHCIBZEO-UHFFFAOYSA-N 0 0 408.458 4.155 20 5 HIBDRN COCCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000026971474 847227859 /nfs/dbraw/zinc/22/78/59/847227859.db2.gz UBGWGHCMJPMSIB-UHFFFAOYSA-N 0 0 403.485 4.220 20 5 HIBDRN COCCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000026971895 847227983 /nfs/dbraw/zinc/22/79/83/847227983.db2.gz AIYZRALHPPCBEK-CYBMUJFWSA-N 0 0 417.512 4.365 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Nc2ccc(NC(=O)c3ccco3)cc2)cccc1[N+](=O)[O-] ZINC000026990215 847231951 /nfs/dbraw/zinc/23/19/51/847231951.db2.gz YIUAPUIVUVYKNC-CQSZACIVSA-N 0 0 408.414 4.188 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2ccc(SC)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000027164049 847260463 /nfs/dbraw/zinc/26/04/63/847260463.db2.gz AKIUXAZKPLARCR-SNVBAGLBSA-N 0 0 412.414 4.418 20 5 HIBDRN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000027344160 847286702 /nfs/dbraw/zinc/28/67/02/847286702.db2.gz XLEGTESNFHTHAN-GOSISDBHSA-N 0 0 408.285 4.469 20 5 HIBDRN CCn1c(-c2ccncc2)nn(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1=S ZINC000027533542 847316745 /nfs/dbraw/zinc/31/67/45/847316745.db2.gz QKTVJJBEWDCQRW-UHFFFAOYSA-N 0 0 418.910 4.147 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000028041119 847378061 /nfs/dbraw/zinc/37/80/61/847378061.db2.gz LQFRGCSGNSZTLL-UHFFFAOYSA-N 0 0 414.405 4.275 20 5 HIBDRN COc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])s3)cs2)c(OC)c1 ZINC000028138403 847388568 /nfs/dbraw/zinc/38/85/68/847388568.db2.gz SMXWYBFBWOTZGV-UHFFFAOYSA-N 0 0 406.441 4.154 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1[N+](=O)[O-] ZINC000028236810 847396951 /nfs/dbraw/zinc/39/69/51/847396951.db2.gz YHPNXSMKZCJATN-UHFFFAOYSA-N 0 0 415.471 4.316 20 5 HIBDRN O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000028301160 847404139 /nfs/dbraw/zinc/40/41/39/847404139.db2.gz ACABPROELZLOQG-UHFFFAOYSA-N 0 0 417.632 4.279 20 5 HIBDRN COc1ccc(OC)c(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000028468531 847424419 /nfs/dbraw/zinc/42/44/19/847424419.db2.gz PRLSHNFSUSTTNH-GASCZTMLSA-N 0 0 413.474 4.347 20 5 HIBDRN CSc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000028677489 847446506 /nfs/dbraw/zinc/44/65/06/847446506.db2.gz LDTIPPKAFKCIEE-LBPRGKRZSA-N 0 0 406.533 4.257 20 5 HIBDRN Cc1cc(C)c(OCC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000028696777 847449792 /nfs/dbraw/zinc/44/97/92/847449792.db2.gz ZQBXDTAQSSWTCR-AWEZNQCLSA-N 0 0 420.849 4.123 20 5 HIBDRN CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000028843942 847468239 /nfs/dbraw/zinc/46/82/39/847468239.db2.gz YFHWFOQJVCAEGK-JTQLQIEISA-N 0 0 410.352 4.011 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000028940616 847481901 /nfs/dbraw/zinc/48/19/01/847481901.db2.gz GUKAJXIXCJHTLL-SFHVURJKSA-N 0 0 421.478 4.187 20 5 HIBDRN O=C(NCCCCOc1ccc(F)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000029148791 847514775 /nfs/dbraw/zinc/51/47/75/847514775.db2.gz XJDRBKPRUWUKSH-UHFFFAOYSA-N 0 0 411.227 4.085 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000029213948 847525380 /nfs/dbraw/zinc/52/53/80/847525380.db2.gz WMZATJAXGYUKDX-UHFFFAOYSA-N 0 0 406.261 4.099 20 5 HIBDRN NC(=O)c1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1Cl ZINC000029341037 847547742 /nfs/dbraw/zinc/54/77/42/847547742.db2.gz HZTVXINGHXFMNJ-UHFFFAOYSA-N 0 0 410.817 4.343 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(N(C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000029384784 847556806 /nfs/dbraw/zinc/55/68/06/847556806.db2.gz PKFNXIVZZMNCBM-UHFFFAOYSA-N 0 0 410.451 4.310 20 5 HIBDRN O=C(NCCc1cccnc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000029651860 847596957 /nfs/dbraw/zinc/59/69/57/847596957.db2.gz AQIPHEPDGKUMCM-UHFFFAOYSA-N 0 0 410.861 4.228 20 5 HIBDRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000029938432 847654536 /nfs/dbraw/zinc/65/45/36/847654536.db2.gz RPIOQWFOCFSFDC-VIFPVBQESA-N 0 0 419.684 4.050 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000029938430 847655252 /nfs/dbraw/zinc/65/52/52/847655252.db2.gz RPIOQWFOCFSFDC-SECBINFHSA-N 0 0 419.684 4.050 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000436467584 861815698 /nfs/dbraw/zinc/81/56/98/861815698.db2.gz DVIFZJNGFPUXBR-OAHLLOKOSA-N 0 0 408.710 4.489 20 5 HIBDRN CSc1ccc(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000030314073 847700979 /nfs/dbraw/zinc/70/09/79/847700979.db2.gz LTSWBDYCFUCJPY-UHFFFAOYSA-N 0 0 400.378 4.488 20 5 HIBDRN COc1ccc(CN([C@@H](C)C2CC2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000030336882 847704634 /nfs/dbraw/zinc/70/46/34/847704634.db2.gz QSKBLMGXZMHEAK-ZDUSSCGKSA-N 0 0 424.906 4.246 20 5 HIBDRN CCOC(=O)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000030766401 847772196 /nfs/dbraw/zinc/77/21/96/847772196.db2.gz BUHUFUSTKSXUMW-UHFFFAOYSA-N 0 0 422.890 4.473 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000030777452 847774167 /nfs/dbraw/zinc/77/41/67/847774167.db2.gz JCIPTIVWMIQQDO-VIFPVBQESA-N 0 0 412.204 4.032 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](NCc1ccccc1)C(F)(F)F ZINC000436507352 861829211 /nfs/dbraw/zinc/82/92/11/861829211.db2.gz FIZQWLWIBAQBOR-KRWDZBQOSA-N 0 0 410.396 4.054 20 5 HIBDRN CSc1ccc(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000031211542 847844715 /nfs/dbraw/zinc/84/47/15/847844715.db2.gz MZTUVXYEQJTVKZ-AWEZNQCLSA-N 0 0 419.934 4.489 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c(Cl)c1 ZINC000031665257 847925237 /nfs/dbraw/zinc/92/52/37/847925237.db2.gz XCZPTBPEKBMLSG-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1c(NC(=O)c2cc(Cl)ccc2I)cccc1[N+](=O)[O-] ZINC000031702168 847933560 /nfs/dbraw/zinc/93/35/60/847933560.db2.gz WUXUDCVMPCEXGJ-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN CCOc1cc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)c([N+](=O)[O-])cc1OC ZINC000031801833 847952405 /nfs/dbraw/zinc/95/24/05/847952405.db2.gz LJPLCLQQXMPRHV-UHFFFAOYSA-N 0 0 408.414 4.020 20 5 HIBDRN Cc1sc2nc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc(N)c2c1C ZINC000031822256 847955787 /nfs/dbraw/zinc/95/57/87/847955787.db2.gz YJBVRPMASLKMLJ-UHFFFAOYSA-N 0 0 423.907 4.183 20 5 HIBDRN Cc1ccc(C=Cc2nc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)n[nH]2)o1 ZINC000031850794 847959031 /nfs/dbraw/zinc/95/90/31/847959031.db2.gz BKWLQRYLIPRGHS-BQYQJAHWSA-N 0 0 410.415 4.127 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)n2)cc1OC ZINC000032061523 847983734 /nfs/dbraw/zinc/98/37/34/847983734.db2.gz ZNODOLBWJXOMGJ-UHFFFAOYSA-N 0 0 405.457 4.358 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000032152885 847989179 /nfs/dbraw/zinc/98/91/79/847989179.db2.gz JEXAODJTHORHEW-KRWDZBQOSA-N 0 0 419.466 4.368 20 5 HIBDRN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032343121 848009552 /nfs/dbraw/zinc/00/95/52/848009552.db2.gz IEZXQLBWRUOXLU-CYBMUJFWSA-N 0 0 407.455 4.223 20 5 HIBDRN CC(=O)Nc1cccc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000032360577 848012317 /nfs/dbraw/zinc/01/23/17/848012317.db2.gz UXQRSCVQLWHXJM-UHFFFAOYSA-N 0 0 404.426 4.227 20 5 HIBDRN CCOCCOCc1cccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000032372935 848014338 /nfs/dbraw/zinc/01/43/38/848014338.db2.gz CNWNPNDSUVSTQJ-UHFFFAOYSA-N 0 0 414.483 4.293 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000032377399 848016365 /nfs/dbraw/zinc/01/63/65/848016365.db2.gz VHJQDJFKHUWSBS-UHFFFAOYSA-N 0 0 413.437 4.115 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1csc(Br)c1 ZINC000032581269 848048582 /nfs/dbraw/zinc/04/85/82/848048582.db2.gz OCBWCHLMLBOHTA-VIFPVBQESA-N 0 0 401.307 4.216 20 5 HIBDRN CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032626637 848054248 /nfs/dbraw/zinc/05/42/48/848054248.db2.gz PSSPEWGMEMGZAC-UHFFFAOYSA-N 0 0 404.348 4.072 20 5 HIBDRN CC(C)(C)c1nc2cc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)ccc2[nH]1 ZINC000032830005 848081613 /nfs/dbraw/zinc/08/16/13/848081613.db2.gz HSVCUXOXGIRMKV-UHFFFAOYSA-N 0 0 404.430 4.207 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000033096215 848107919 /nfs/dbraw/zinc/10/79/19/848107919.db2.gz CIHWOULXFHJLMG-KRWDZBQOSA-N 0 0 422.268 4.453 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(C(F)(F)F)cc1 ZINC000033167690 848117871 /nfs/dbraw/zinc/11/78/71/848117871.db2.gz SGXHQBYHTSUMFC-LBPRGKRZSA-N 0 0 404.348 4.290 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cc1[N+](=O)[O-] ZINC000033194810 848123435 /nfs/dbraw/zinc/12/34/35/848123435.db2.gz JWDRGVKCUZHLFJ-UHFFFAOYSA-N 0 0 403.822 4.129 20 5 HIBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000033313690 848134063 /nfs/dbraw/zinc/13/40/63/848134063.db2.gz 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ZINC000053781062 849758017 /nfs/dbraw/zinc/75/80/17/849758017.db2.gz IELKYBRBGZYWNV-UHFFFAOYSA-N 0 0 407.270 4.343 20 5 HIBDRN O=C(Nc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])ccc1Cl)c1cccs1 ZINC000053857689 849770045 /nfs/dbraw/zinc/77/00/45/849770045.db2.gz LCFKTAMEWNKYAN-UHFFFAOYSA-N 0 0 415.858 4.492 20 5 HIBDRN Cc1ccc(F)cc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000054005452 849793653 /nfs/dbraw/zinc/79/36/53/849793653.db2.gz HKQOVEOWLCRWLA-KRWDZBQOSA-N 0 0 403.410 4.247 20 5 HIBDRN CCOc1ccc(-c2nc(CC(=O)NCCc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000054167795 849819083 /nfs/dbraw/zinc/81/90/83/849819083.db2.gz RSNHIACGGWUOPL-UHFFFAOYSA-N 0 0 411.483 4.018 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000054256524 849834015 /nfs/dbraw/zinc/83/40/15/849834015.db2.gz HESWQYGZNUQYDA-UHFFFAOYSA-N 0 0 410.817 4.456 20 5 HIBDRN Cc1cc(N(C)CC(=O)Nc2cccc(C)c2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389769 849857716 /nfs/dbraw/zinc/85/77/16/849857716.db2.gz AGHOCXGZZUVJCX-UHFFFAOYSA-N 0 0 405.458 4.052 20 5 HIBDRN Cc1cc(N[C@H](c2nccn2C)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389613 849857739 /nfs/dbraw/zinc/85/77/39/849857739.db2.gz UFFQWNNQSJQNDN-FQEVSTJZSA-N 0 0 400.442 4.295 20 5 HIBDRN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000054666391 849902122 /nfs/dbraw/zinc/90/21/22/849902122.db2.gz RAFAAFMJVKDSAU-HXUWFJFHSA-N 0 0 407.474 4.037 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000054670813 849903368 /nfs/dbraw/zinc/90/33/68/849903368.db2.gz IUWQEQOBTSNURM-UHFFFAOYSA-N 0 0 404.325 4.075 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(C(F)(F)F)cc1 ZINC000054887822 849937173 /nfs/dbraw/zinc/93/71/73/849937173.db2.gz DNHRHLGFEYVTAC-UHFFFAOYSA-N 0 0 410.395 4.490 20 5 HIBDRN COc1ccc([C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000055016163 849957109 /nfs/dbraw/zinc/95/71/09/849957109.db2.gz GSQFNXCWKVPXIO-HSZRJFAPSA-N 0 0 406.438 4.278 20 5 HIBDRN CCN(c1ccc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1)S(C)(=O)=O ZINC000055050578 849964102 /nfs/dbraw/zinc/96/41/02/849964102.db2.gz XHKKWFZAMRFKKZ-UHFFFAOYSA-N 0 0 403.485 4.171 20 5 HIBDRN CCOc1ccc(-c2nc(CS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000055200526 849985991 /nfs/dbraw/zinc/98/59/91/849985991.db2.gz KHUQSCZFTKNMLH-UHFFFAOYSA-N 0 0 418.496 4.232 20 5 HIBDRN O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055422286 850019912 /nfs/dbraw/zinc/01/99/12/850019912.db2.gz IGQMCYZOVDBDPU-UHFFFAOYSA-N 0 0 411.364 4.055 20 5 HIBDRN COc1ccc(CCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000055465376 850032090 /nfs/dbraw/zinc/03/20/90/850032090.db2.gz OIYUUWKMXBOTPV-GFCCVEGCSA-N 0 0 407.264 4.176 20 5 HIBDRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000055467658 850032980 /nfs/dbraw/zinc/03/29/80/850032980.db2.gz UZGAODHGBBSDEJ-WMZOPIPTSA-N 0 0 410.474 4.025 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H]1Cc1ccccc1Cl 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MGDDAOCGPQDELI-NSHDSACASA-N 0 0 411.439 4.246 20 5 HIBDRN CNc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000056274511 850306811 /nfs/dbraw/zinc/30/68/11/850306811.db2.gz ABVCTHWFCMVSAJ-AWEZNQCLSA-N 0 0 405.838 4.100 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000056288293 850314363 /nfs/dbraw/zinc/31/43/63/850314363.db2.gz PZHUUTBNRAYFGD-UHFFFAOYSA-N 0 0 400.460 4.076 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000056303462 850317363 /nfs/dbraw/zinc/31/73/63/850317363.db2.gz ACGFSWANYYEOHM-MRXNPFEDSA-N 0 0 400.431 4.112 20 5 HIBDRN C[C@H](NC(=O)NCc1ccc(COCC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056373852 850339150 /nfs/dbraw/zinc/33/91/50/850339150.db2.gz KDUDFKXJVZPRKE-ZDUSSCGKSA-N 0 0 411.380 4.234 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000056520280 850382428 /nfs/dbraw/zinc/38/24/28/850382428.db2.gz NOHNXEBGJSCLOS-UHFFFAOYSA-N 0 0 403.866 4.427 20 5 HIBDRN CCOc1ccc(C2(CNC(=O)Nc3cccc([N+](=O)[O-])c3C)CCOCC2)cc1 ZINC000056530765 850385561 /nfs/dbraw/zinc/38/55/61/850385561.db2.gz MZBKXBDLEAWLTF-UHFFFAOYSA-N 0 0 413.474 4.172 20 5 HIBDRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2s1 ZINC000057504863 850655735 /nfs/dbraw/zinc/65/57/35/850655735.db2.gz XHDGEABQRYTIDP-UHFFFAOYSA-N 0 0 402.407 4.335 20 5 HIBDRN CCOc1cc(C(=O)N[C@H]2CCSc3c(F)cccc32)c([N+](=O)[O-])cc1OC ZINC000057666185 850691564 /nfs/dbraw/zinc/69/15/64/850691564.db2.gz GXJNLYZFNKLEET-AWEZNQCLSA-N 0 0 406.435 4.108 20 5 HIBDRN COc1ccc(NC(=O)CSc2ccc(Br)cc2C)c([N+](=O)[O-])c1 ZINC000057799132 850719418 /nfs/dbraw/zinc/71/94/18/850719418.db2.gz ZNIJTZQVSCXVBD-UHFFFAOYSA-N 0 0 411.277 4.405 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3cc4c(cc3s2)OCCCO4)c1 ZINC000057810242 850722669 /nfs/dbraw/zinc/72/26/69/850722669.db2.gz NWLIBXPGQDYYCY-UHFFFAOYSA-N 0 0 417.468 4.340 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)c1 ZINC000057922770 850742675 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ZINC000195635756 853729031 /nfs/dbraw/zinc/72/90/31/853729031.db2.gz NVKHGXRWCGGFPK-ZDUSSCGKSA-N 0 0 401.488 4.231 20 5 HIBDRN Cc1nn(C)c(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c1[N+](=O)[O-] ZINC000195642117 853734257 /nfs/dbraw/zinc/73/42/57/853734257.db2.gz YHCFZQPERUHJNG-UHFFFAOYSA-N 0 0 400.822 4.121 20 5 HIBDRN CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000195644117 853735265 /nfs/dbraw/zinc/73/52/65/853735265.db2.gz JBDPOEXCOOCYQC-HXUWFJFHSA-N 0 0 414.412 4.250 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](C)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000195677551 853753009 /nfs/dbraw/zinc/75/30/09/853753009.db2.gz NIHVDOMSUFQBJF-LLVKDONJSA-N 0 0 409.305 4.440 20 5 HIBDRN Cc1sc(NC(=O)c2cnn(-c3ccccn3)c2C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000195704239 853769451 /nfs/dbraw/zinc/76/94/51/853769451.db2.gz OUZPGLWDARVZFW-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000195711641 853773835 /nfs/dbraw/zinc/77/38/35/853773835.db2.gz CGPGGLRGGJEQHO-UHFFFAOYSA-N 0 0 419.437 4.094 20 5 HIBDRN COc1nc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc2ccccc21 ZINC000195721258 853777393 /nfs/dbraw/zinc/77/73/93/853777393.db2.gz GOFVIRISRZOGQH-UHFFFAOYSA-N 0 0 419.359 4.356 20 5 HIBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000206619347 853798869 /nfs/dbraw/zinc/79/88/69/853798869.db2.gz BYKVGTBHTRKQJT-NVNXTCNLSA-N 0 0 423.450 4.048 20 5 HIBDRN COC(=O)/C=C\c1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])c(OC)c1 ZINC000207663832 853803764 /nfs/dbraw/zinc/80/37/64/853803764.db2.gz IXLXSVHMNYXLQO-YWEYNIOJSA-N 0 0 408.204 4.344 20 5 HIBDRN C/C=C\c1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])c(OC)c1 ZINC000207755906 853804768 /nfs/dbraw/zinc/80/47/68/853804768.db2.gz ULMYGEREFRIOGI-YVMONPNESA-N 0 0 420.487 4.459 20 5 HIBDRN COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000216106723 853844237 /nfs/dbraw/zinc/84/42/37/853844237.db2.gz PTXIBVCHBCPBBK-UHFFFAOYSA-N 0 0 418.496 4.056 20 5 HIBDRN 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O=C(Nc1ccccc1)c1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000301416057 854388177 /nfs/dbraw/zinc/38/81/77/854388177.db2.gz ARLOSDOQOFUQNY-UHFFFAOYSA-N 0 0 415.203 4.192 20 5 HIBDRN C[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)Cc1cccs1 ZINC000301418819 854389570 /nfs/dbraw/zinc/38/95/70/854389570.db2.gz MXIQVHZGEDAPAL-GFCCVEGCSA-N 0 0 404.879 4.146 20 5 HIBDRN CC[C@H]1Oc2cc([C@@H](C)Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)ccc2NC1=O ZINC000301435360 854393516 /nfs/dbraw/zinc/39/35/16/854393516.db2.gz RIKQPVOHESLYGT-MEBBXXQBSA-N 0 0 407.373 4.479 20 5 HIBDRN CS(=O)(=O)c1cccc([C@H](Nc2ccccc2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 ZINC000301450280 854397904 /nfs/dbraw/zinc/39/79/04/854397904.db2.gz FNFNAIGFHPWJQL-FQEVSTJZSA-N 0 0 418.421 4.478 20 5 HIBDRN O=C(c1ccc(N2CCCC3(C2)CCCCCC3)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000301459449 854399798 /nfs/dbraw/zinc/39/97/98/854399798.db2.gz IQHJADZESIMROZ-UHFFFAOYSA-N 0 0 401.507 4.008 20 5 HIBDRN C[C@@H]1C[C@@H](c2ccccc2F)N(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 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LTFREQNAQIIXFX-ZDUSSCGKSA-N 0 0 413.405 4.436 20 5 HIBDRN O=[N+]([O-])c1cnc(NCc2ccnc(OCc3ccccc3)c2)c(Br)c1 ZINC000301527604 854413328 /nfs/dbraw/zinc/41/33/28/854413328.db2.gz JRIDXRWNZZMREK-UHFFFAOYSA-N 0 0 415.247 4.338 20 5 HIBDRN O=[N+]([O-])c1cnc(NC[C@@H](O)c2c(Cl)cccc2Cl)c(Br)c1 ZINC000301531918 854414471 /nfs/dbraw/zinc/41/44/71/854414471.db2.gz LIDJFURPWNOVNI-LLVKDONJSA-N 0 0 407.051 4.205 20 5 HIBDRN CCOc1cc(C)ccc1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301590295 854425643 /nfs/dbraw/zinc/42/56/43/854425643.db2.gz CTWMEQLQCBYOQJ-UHFFFAOYSA-N 0 0 414.849 4.113 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000301649126 854436753 /nfs/dbraw/zinc/43/67/53/854436753.db2.gz FHTXYQWQEYHCFK-CQSZACIVSA-N 0 0 418.291 4.004 20 5 HIBDRN COc1cc(N[C@H]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)cc(OC)c1 ZINC000301662592 854439822 /nfs/dbraw/zinc/43/98/22/854439822.db2.gz VETGWNXCGMLVIW-HNNXBMFYSA-N 0 0 408.458 4.241 20 5 HIBDRN 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854447439 /nfs/dbraw/zinc/44/74/39/854447439.db2.gz OZBSUMPNGOPJFQ-NSHDSACASA-N 0 0 407.051 4.205 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccn3)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000301699565 854447968 /nfs/dbraw/zinc/44/79/68/854447968.db2.gz FAWNKAPQHWCFAN-UHFFFAOYSA-N 0 0 420.410 4.297 20 5 HIBDRN COc1cccc([C@H]2CN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CCO2)c1 ZINC000301701047 854448009 /nfs/dbraw/zinc/44/80/09/854448009.db2.gz FUBVUEQXYXDJRE-HSZRJFAPSA-N 0 0 418.449 4.412 20 5 HIBDRN COC(=O)c1cc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301710567 854449829 /nfs/dbraw/zinc/44/98/29/854449829.db2.gz XPCBRWRKHKYZNJ-HXUWFJFHSA-N 0 0 418.877 4.293 20 5 HIBDRN C[C@@H](Cc1ccc(F)c(Br)c1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301715598 854450561 /nfs/dbraw/zinc/45/05/61/854450561.db2.gz MQQIZHCHIPCTPR-VIFPVBQESA-N 0 0 421.226 4.188 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])cc2)n1 ZINC000301725960 854452965 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414.824 4.423 20 5 HIBDRN O=[N+]([O-])c1ccc(Nc2cccc(C[S@@](=O)C3CCOCC3)c2)c2ncccc12 ZINC000301955698 854504085 /nfs/dbraw/zinc/50/40/85/854504085.db2.gz LQEPLHFKXURIFM-GDLZYMKVSA-N 0 0 411.483 4.314 20 5 HIBDRN COc1cc(NCc2cc(Br)c(OC)c(OC)c2)c(F)cc1[N+](=O)[O-] ZINC000301959221 854504655 /nfs/dbraw/zinc/50/46/55/854504655.db2.gz LVENOBQGWFVPAV-UHFFFAOYSA-N 0 0 415.215 4.134 20 5 HIBDRN O=C(NC1CC1)c1ccc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000301983453 854509546 /nfs/dbraw/zinc/50/95/46/854509546.db2.gz IJZKJVBASSHHHF-IEBWSBKVSA-N 0 0 401.850 4.083 20 5 HIBDRN Cc1cc(N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302003665 854514667 /nfs/dbraw/zinc/51/46/67/854514667.db2.gz JWJSFXKIUDPNGV-SFHVURJKSA-N 0 0 404.470 4.097 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000302009847 854515573 /nfs/dbraw/zinc/51/55/73/854515573.db2.gz XXFJHGDLRZPAAT-HKUYNNGSSA-N 0 0 403.866 4.329 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c2ncccc12 ZINC000302026692 854517655 /nfs/dbraw/zinc/51/76/55/854517655.db2.gz IFSNZFSDMDRSSM-INIZCTEOSA-N 0 0 400.442 4.312 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c2ccncc21 ZINC000302033456 854519745 /nfs/dbraw/zinc/51/97/45/854519745.db2.gz KZURNNZWJNPUAT-MRXNPFEDSA-N 0 0 400.442 4.312 20 5 HIBDRN COc1ccc([C@H](Nc2ncc([N+](=O)[O-])c(N)n2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000302041291 854520474 /nfs/dbraw/zinc/52/04/74/854520474.db2.gz ROFRHGZPTVQUBE-MRXNPFEDSA-N 0 0 419.363 4.196 20 5 HIBDRN COc1ccc([C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000302041289 854520717 /nfs/dbraw/zinc/52/07/17/854520717.db2.gz ROFRHGZPTVQUBE-INIZCTEOSA-N 0 0 419.363 4.196 20 5 HIBDRN O=C1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CCN1c1ccc(F)c(Cl)c1 ZINC000302067113 854525573 /nfs/dbraw/zinc/52/55/73/854525573.db2.gz UOGLCYMYVXXSJO-KRWDZBQOSA-N 0 0 400.797 4.153 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1 ZINC000302071050 854526472 /nfs/dbraw/zinc/52/64/72/854526472.db2.gz FEYBGYAAXVXCMP-GDLZYMKVSA-N 0 0 410.451 4.433 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CCCOc2cc(F)ccc21 ZINC000302074752 854526923 /nfs/dbraw/zinc/52/69/23/854526923.db2.gz XFJWNGFBMOJIJF-CYBMUJFWSA-N 0 0 416.377 4.056 20 5 HIBDRN C[C@H](c1ccccc1Br)N(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302144811 854536243 /nfs/dbraw/zinc/53/62/43/854536243.db2.gz GJQABZUGMMWMIV-SECBINFHSA-N 0 0 419.322 4.020 20 5 HIBDRN CCOC(=O)c1ccnc(NCc2cc3cc(Br)ccc3[nH]2)c1[N+](=O)[O-] ZINC000302222039 854552597 /nfs/dbraw/zinc/55/25/97/854552597.db2.gz SOMQSOKBKOWKPK-UHFFFAOYSA-N 0 0 419.235 4.022 20 5 HIBDRN CC(=O)c1ccc(N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000302224086 854552693 /nfs/dbraw/zinc/55/26/93/854552693.db2.gz UMBLBGLLSADGDO-HNNXBMFYSA-N 0 0 421.375 4.029 20 5 HIBDRN O=C(Nc1ccccc1O)C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302228971 854553442 /nfs/dbraw/zinc/55/34/42/854553442.db2.gz ANUMSRSXKFADBP-UHFFFAOYSA-N 0 0 410.257 4.462 20 5 HIBDRN CCc1cc(N2CCC(Nc3nc(C)cs3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302277811 854558932 /nfs/dbraw/zinc/55/89/32/854558932.db2.gz UDRGMYLQHZAZFW-UHFFFAOYSA-N 0 0 424.530 4.460 20 5 HIBDRN O=C(C1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1)N1CCSCC1 ZINC000302287610 854560755 /nfs/dbraw/zinc/56/07/55/854560755.db2.gz MCPRMLYEDCKKTM-UHFFFAOYSA-N 0 0 418.346 4.448 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)c(NCc2cccc(N3CCCS3(=O)=O)c2)c(Cl)c1 ZINC000302356550 854563702 /nfs/dbraw/zinc/56/37/02/854563702.db2.gz DXMICKMTXHROLY-UHFFFAOYSA-N 0 0 416.286 4.054 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000302434305 854571035 /nfs/dbraw/zinc/57/10/35/854571035.db2.gz PIGZDDQBWYMJPZ-UHFFFAOYSA-N 0 0 413.218 4.124 20 5 HIBDRN CC(C)(C)OC(=O)NC1(C)CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000302473643 854574165 /nfs/dbraw/zinc/57/41/65/854574165.db2.gz DMNKQUSUYAJPFF-UHFFFAOYSA-N 0 0 403.401 4.497 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000302569588 854587498 /nfs/dbraw/zinc/58/74/98/854587498.db2.gz YHLTYLZWMDTRMJ-BONVTDFDSA-N 0 0 412.671 4.372 20 5 HIBDRN C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000302615686 854593419 /nfs/dbraw/zinc/59/34/19/854593419.db2.gz CHXZSDZOULVABF-VIFPVBQESA-N 0 0 408.423 4.294 20 5 HIBDRN O=[N+]([O-])c1cncc(Br)c1N1CCc2cc(Br)ccc2C1 ZINC000302655606 854598918 /nfs/dbraw/zinc/59/89/18/854598918.db2.gz CUYOKTSSKDJYNQ-UHFFFAOYSA-N 0 0 413.069 4.078 20 5 HIBDRN Cc1cc(N2CCC(OC[C@@H]3CCCCO3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302672922 854601501 /nfs/dbraw/zinc/60/15/01/854601501.db2.gz LFKABRGSXUUGKH-HNNXBMFYSA-N 0 0 413.312 4.220 20 5 HIBDRN Cc1cc(NCCNC(=O)c2ccccc2Cl)c(Br)cc1[N+](=O)[O-] ZINC000302681300 854602843 /nfs/dbraw/zinc/60/28/43/854602843.db2.gz PBDLVPFSGLIPPQ-UHFFFAOYSA-N 0 0 412.671 4.161 20 5 HIBDRN Cc1cc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302682918 854602959 /nfs/dbraw/zinc/60/29/59/854602959.db2.gz PSVOTYLLZZGISY-CYBMUJFWSA-N 0 0 412.328 4.044 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000302724843 854613437 /nfs/dbraw/zinc/61/34/37/854613437.db2.gz ODUNBGLZZBHNBF-UHFFFAOYSA-N 0 0 403.364 4.486 20 5 HIBDRN Cc1cc(Oc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc(C)c1Br ZINC000302728496 854614396 /nfs/dbraw/zinc/61/43/96/854614396.db2.gz QOCBWSFDSCEYGJ-UHFFFAOYSA-N 0 0 406.279 4.231 20 5 HIBDRN COc1cc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000302730773 854615276 /nfs/dbraw/zinc/61/52/76/854615276.db2.gz SGMOTBDCTLLPHG-UHFFFAOYSA-N 0 0 405.495 4.221 20 5 HIBDRN COc1cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c(F)cc1[N+](=O)[O-] ZINC000302734493 854616171 /nfs/dbraw/zinc/61/61/71/854616171.db2.gz OFGLQTZKYKCJOE-UHFFFAOYSA-N 0 0 422.844 4.058 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000302735048 854616650 /nfs/dbraw/zinc/61/66/50/854616650.db2.gz OKNMFKKSKFUWRQ-HXUWFJFHSA-N 0 0 419.485 4.198 20 5 HIBDRN C[C@@H](CN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000302740256 854617732 /nfs/dbraw/zinc/61/77/32/854617732.db2.gz CKUSKZVRCCBBOE-JTQLQIEISA-N 0 0 423.256 4.454 20 5 HIBDRN Cc1cc(N2CCC(NC(=O)CC3CCCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302808331 854641373 /nfs/dbraw/zinc/64/13/73/854641373.db2.gz GJNJTNIAXMZBTG-UHFFFAOYSA-N 0 0 424.339 4.331 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000302810121 854642929 /nfs/dbraw/zinc/64/29/29/854642929.db2.gz MPWVSRKXOFEDRO-QMMMGPOBSA-N 0 0 423.249 4.089 20 5 HIBDRN Cc1cc2ccccc2n1CC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000302840386 854651913 /nfs/dbraw/zinc/65/19/13/854651913.db2.gz AMDAUAFFQAQTDS-IBGZPJMESA-N 0 0 423.469 4.057 20 5 HIBDRN COc1cc(OC)c2ncnc(Oc3ccc(Br)cc3[N+](=O)[O-])c2c1 ZINC000302850942 854656676 /nfs/dbraw/zinc/65/66/76/854656676.db2.gz IVTWLOFMFYWZOI-UHFFFAOYSA-N 0 0 406.192 4.110 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1NCc1ccc(N3CCc4ccccc4C3)nc1)CCN2 ZINC000302862555 854660642 /nfs/dbraw/zinc/66/06/42/854660642.db2.gz WFGLRWDLDLEOGW-UHFFFAOYSA-N 0 0 401.470 4.133 20 5 HIBDRN CC(=O)c1ccc(Sc2nnc(-c3cccnc3)n2Cc2ccco2)c([N+](=O)[O-])c1 ZINC000302920983 854679885 /nfs/dbraw/zinc/67/98/85/854679885.db2.gz KGFMKAJBVFOTKZ-UHFFFAOYSA-N 0 0 421.438 4.243 20 5 HIBDRN CC(=O)N1CCc2cc(C(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)ccc21 ZINC000302922437 854681227 /nfs/dbraw/zinc/68/12/27/854681227.db2.gz UHUYTVYTIMTEHS-UHFFFAOYSA-N 0 0 422.466 4.188 20 5 HIBDRN Cc1nc2ccccc2c2c(NC(=O)[C@H](C)OC[C@@H]3CCCO3)c3ccccc3n21 ZINC000302951886 854693711 /nfs/dbraw/zinc/69/37/11/854693711.db2.gz APAKIYHBFPRLAC-RDJZCZTQSA-N 0 0 403.482 4.472 20 5 HIBDRN Cc1ccc(OCc2nc(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)cs2)cc1 ZINC000302958971 854696693 /nfs/dbraw/zinc/69/66/93/854696693.db2.gz OIXIXNRRPCZWCD-UHFFFAOYSA-N 0 0 409.467 4.071 20 5 HIBDRN COc1cc(OCC(=O)NC2(c3ccc(Cl)cc3)CCCC2)ccc1[N+](=O)[O-] ZINC000303101084 854759907 /nfs/dbraw/zinc/75/99/07/854759907.db2.gz HSIDBQBXLKODQW-UHFFFAOYSA-N 0 0 404.850 4.221 20 5 HIBDRN Cc1cc(C)cc(-c2cc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n[nH]2)c1 ZINC000303104425 854762056 /nfs/dbraw/zinc/76/20/56/854762056.db2.gz IWDQTPZVAUBMLT-UHFFFAOYSA-N 0 0 402.414 4.040 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000303120960 854769656 /nfs/dbraw/zinc/76/96/56/854769656.db2.gz NAVIUNKDOGTVLU-UHFFFAOYSA-N 0 0 415.190 4.197 20 5 HIBDRN COc1ccc(CSCC(=O)NCC(C)(C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000303129760 854775481 /nfs/dbraw/zinc/77/54/81/854775481.db2.gz OYZIUURMIYAMDM-UHFFFAOYSA-N 0 0 402.516 4.239 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc(OCC3CCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000303187055 854808187 /nfs/dbraw/zinc/80/81/87/854808187.db2.gz UQDQGUAXECGEQE-UHFFFAOYSA-N 0 0 400.479 4.396 20 5 HIBDRN O=C(N[C@@H]1CCc2c1cccc2Br)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000303208144 854817149 /nfs/dbraw/zinc/81/71/49/854817149.db2.gz QKAKGOLHGOHXHX-MRXNPFEDSA-N 0 0 416.275 4.349 20 5 HIBDRN COc1cc(F)c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000303245799 854833003 /nfs/dbraw/zinc/83/30/03/854833003.db2.gz AAJXTTAGDVMTJU-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN Cc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000303279340 854848270 /nfs/dbraw/zinc/84/82/70/854848270.db2.gz IHBLINBZLUBITE-CYBMUJFWSA-N 0 0 403.485 4.066 20 5 HIBDRN COc1ccc2oc([C@H](C)NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)c(C)c2c1 ZINC000303306258 854863053 /nfs/dbraw/zinc/86/30/53/854863053.db2.gz NUMGPHXRPCGUFS-AWEZNQCLSA-N 0 0 420.425 4.335 20 5 HIBDRN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000303317696 854869290 /nfs/dbraw/zinc/86/92/90/854869290.db2.gz QNFZNKFZHJUCRB-UHFFFAOYSA-N 0 0 408.458 4.404 20 5 HIBDRN CCCCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000303452224 854951211 /nfs/dbraw/zinc/95/12/11/854951211.db2.gz JVMKLVUXTAUGMO-INIZCTEOSA-N 0 0 417.487 4.079 20 5 HIBDRN CC(C)c1cccc(N(C)C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000303454611 854954095 /nfs/dbraw/zinc/95/40/95/854954095.db2.gz KJYPLUSRQYMFPB-MRXNPFEDSA-N 0 0 401.488 4.047 20 5 HIBDRN Cc1c2ccccc2oc1[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)C ZINC000303473838 854969856 /nfs/dbraw/zinc/96/98/56/854969856.db2.gz RIRZOSBZAPEPLP-HXUWFJFHSA-N 0 0 419.441 4.357 20 5 HIBDRN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303474853 854970921 /nfs/dbraw/zinc/97/09/21/854970921.db2.gz NSBMSYGUXZUVCA-UHFFFAOYSA-N 0 0 401.850 4.481 20 5 HIBDRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000303475764 854971513 /nfs/dbraw/zinc/97/15/13/854971513.db2.gz NSYZBBSNHCOGNU-GFCCVEGCSA-N 0 0 414.270 4.206 20 5 HIBDRN CC(C)[C@@H](c1ccccc1)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000303477905 854972605 /nfs/dbraw/zinc/97/26/05/854972605.db2.gz ISAYPZOZMFYYFF-NRFANRHFSA-N 0 0 411.458 4.139 20 5 HIBDRN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303488949 854979773 /nfs/dbraw/zinc/97/97/73/854979773.db2.gz PQCAGSHDRDJGRT-SNVBAGLBSA-N 0 0 402.756 4.464 20 5 HIBDRN CCOc1ccc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000303512809 855001448 /nfs/dbraw/zinc/00/14/48/855001448.db2.gz OWFYFQSBJGJNLA-YJYMSZOUSA-N 0 0 404.850 4.249 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000437353627 862633946 /nfs/dbraw/zinc/63/39/46/862633946.db2.gz DLLXRWIUIVWVEI-IBGZPJMESA-N 0 0 410.470 4.117 20 5 HIBDRN C[C@@H]1SCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000303651989 855106999 /nfs/dbraw/zinc/10/69/99/855106999.db2.gz BIWWTFATTWNTPL-DJJJIMSYSA-N 0 0 405.907 4.365 20 5 HIBDRN O=C(CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)Nc1ccccc1 ZINC000303653303 855107909 /nfs/dbraw/zinc/10/79/09/855107909.db2.gz XLBNCRDAXIZPFM-UHFFFAOYSA-N 0 0 404.426 4.097 20 5 HIBDRN CC(C)(C)c1ccc(SCC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000303667943 855119714 /nfs/dbraw/zinc/11/97/14/855119714.db2.gz CRERZRIBKKQYOV-INIZCTEOSA-N 0 0 414.531 4.092 20 5 HIBDRN O=C(c1cc2c(s1)CCCCCC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303706383 855143757 /nfs/dbraw/zinc/14/37/57/855143757.db2.gz PARUUBVSZUUJFA-HNNXBMFYSA-N 0 0 400.504 4.037 20 5 HIBDRN O=C(CN1CCC(C(F)(F)F)(C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000303722871 855151719 /nfs/dbraw/zinc/15/17/19/855151719.db2.gz WQEBAGWQZQTMRB-UHFFFAOYSA-N 0 0 419.709 4.003 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000303730793 855157255 /nfs/dbraw/zinc/15/72/55/855157255.db2.gz DRJXUBXJBOTNFF-NSHDSACASA-N 0 0 410.348 4.218 20 5 HIBDRN CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)o1 ZINC000303771874 855188798 /nfs/dbraw/zinc/18/87/98/855188798.db2.gz HFFZKRUBZSMYHE-SFHVURJKSA-N 0 0 409.446 4.088 20 5 HIBDRN CCCC[C@H](COC)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000303783631 855196656 /nfs/dbraw/zinc/19/66/56/855196656.db2.gz OVSLFMGIAJHWAG-CQSZACIVSA-N 0 0 409.533 4.446 20 5 HIBDRN CCC[C@@H](NC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000303856356 855251918 /nfs/dbraw/zinc/25/19/18/855251918.db2.gz FQZGBDKQIKNZTJ-OAHLLOKOSA-N 0 0 407.264 4.394 20 5 HIBDRN Cn1ccnc1[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000437369766 862664567 /nfs/dbraw/zinc/66/45/67/862664567.db2.gz GAEAOXAXQQRFIF-MRXNPFEDSA-N 0 0 422.338 4.006 20 5 HIBDRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc2ccccc2c2cccnc12)C1CC1 ZINC000303951482 855313838 /nfs/dbraw/zinc/31/38/38/855313838.db2.gz ZGOKVSWXPQHOPV-FQEVSTJZSA-N 0 0 405.498 4.421 20 5 HIBDRN C[C@@H](NC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000303958215 855320706 /nfs/dbraw/zinc/32/07/06/855320706.db2.gz YHIFVCUYESANAZ-SNVBAGLBSA-N 0 0 413.655 4.267 20 5 HIBDRN Cc1nnc(-c2cccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2)o1 ZINC000303961863 855323289 /nfs/dbraw/zinc/32/32/89/855323289.db2.gz BZXPRPFVTNSICC-UHFFFAOYSA-N 0 0 410.433 4.152 20 5 HIBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000303981996 855335607 /nfs/dbraw/zinc/33/56/07/855335607.db2.gz GXWVRJRYTDVUEG-LJQANCHMSA-N 0 0 403.429 4.091 20 5 HIBDRN CCCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000309556864 855361943 /nfs/dbraw/zinc/36/19/43/855361943.db2.gz MJYHTTLHFZAPHD-UHFFFAOYSA-N 0 0 424.238 4.252 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Cl)cc1[N+](=O)[O-] ZINC000315281352 855378197 /nfs/dbraw/zinc/37/81/97/855378197.db2.gz BYLJJWZPWVPYNJ-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Br)cc1[N+](=O)[O-] ZINC000316613865 855379943 /nfs/dbraw/zinc/37/99/43/855379943.db2.gz AAHNDDDOCDEPCK-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cn1cc(Br)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000324591430 855399710 /nfs/dbraw/zinc/39/97/10/855399710.db2.gz DIRGNEIVCRVFGJ-UHFFFAOYSA-N 0 0 407.249 4.072 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)F)nc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437374201 862678221 /nfs/dbraw/zinc/67/82/21/862678221.db2.gz OOJDETLLVHRVMN-UHFFFAOYSA-N 0 0 410.352 4.127 20 5 HIBDRN Cc1c(Br)c(=O)n(CC(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000391528693 855460163 /nfs/dbraw/zinc/46/01/63/855460163.db2.gz QGTYQSQETDHHCS-UHFFFAOYSA-N 0 0 420.046 4.017 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000437376729 862681970 /nfs/dbraw/zinc/68/19/70/862681970.db2.gz WXBZQEQKANPROD-SMDDNHRTSA-N 0 0 413.630 4.436 20 5 HIBDRN Cc1csc(-c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])c2)n1 ZINC000409496665 855508691 /nfs/dbraw/zinc/50/86/91/855508691.db2.gz AMLNXSUPKMAWMI-ZDUSSCGKSA-N 0 0 403.485 4.066 20 5 HIBDRN Cc1cc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000409518043 855520364 /nfs/dbraw/zinc/52/03/64/855520364.db2.gz CFGDQOXKVGONNG-QGZVFWFLSA-N 0 0 419.485 4.016 20 5 HIBDRN CC[C@@H](C(=O)N1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1)c1ccccc1 ZINC000409537016 855530470 /nfs/dbraw/zinc/53/04/70/855530470.db2.gz QGUSLJBAJWGHGY-HXUWFJFHSA-N 0 0 424.501 4.210 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000437379482 862689771 /nfs/dbraw/zinc/68/97/71/862689771.db2.gz ZCAVFTLEIHHICC-GXFFZTMASA-N 0 0 415.165 4.061 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)s1 ZINC000409648889 855582403 /nfs/dbraw/zinc/58/24/03/855582403.db2.gz WDYYWXOVIUHIOS-LLVKDONJSA-N 0 0 422.264 4.205 20 5 HIBDRN Cc1csc(NC(=O)CSc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n1 ZINC000409658714 855588873 /nfs/dbraw/zinc/58/88/73/855588873.db2.gz YNZWJQHNSMZXFP-UHFFFAOYSA-N 0 0 404.448 4.292 20 5 HIBDRN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000409679933 855598391 /nfs/dbraw/zinc/59/83/91/855598391.db2.gz JSNQDGSUJIONLH-UHFFFAOYSA-N 0 0 411.421 4.045 20 5 HIBDRN Cn1cc(C(=O)NCc2ccc(F)cc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000409788498 855654088 /nfs/dbraw/zinc/65/40/88/855654088.db2.gz DUMVFTHBCYIJHK-UHFFFAOYSA-N 0 0 422.338 4.083 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CCCC34CCOCC4)cc2[N+](=O)[O-])C1 ZINC000409799157 855659451 /nfs/dbraw/zinc/65/94/51/855659451.db2.gz GYJBYLYOPCDHGJ-FVJLSDCUSA-N 0 0 415.534 4.156 20 5 HIBDRN NC(=O)c1ccc(CSCc2c(F)ccc(Br)c2F)c([N+](=O)[O-])c1 ZINC000409862999 855693460 /nfs/dbraw/zinc/69/34/60/855693460.db2.gz WAXMINICYUWQCY-UHFFFAOYSA-N 0 0 417.231 4.168 20 5 HIBDRN CC(C)(C)OC(=O)c1cccc(CSCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000409870772 855698425 /nfs/dbraw/zinc/69/84/25/855698425.db2.gz COOOMIHFJJMSGL-UHFFFAOYSA-N 0 0 402.472 4.082 20 5 HIBDRN CC(C)(C)NC(=O)c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437389870 862716754 /nfs/dbraw/zinc/71/67/54/862716754.db2.gz VCIJSOKEDLFXEL-UHFFFAOYSA-N 0 0 410.474 4.320 20 5 HIBDRN CCCc1noc2nc(CC)cc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c12 ZINC000409976093 855757157 /nfs/dbraw/zinc/75/71/57/855757157.db2.gz ITKDLSCTCUCMEC-UHFFFAOYSA-N 0 0 408.458 4.451 20 5 HIBDRN CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H](C)CC(=O)Nc1ccccc1 ZINC000410035705 855789457 /nfs/dbraw/zinc/78/94/57/855789457.db2.gz XWMDXCJBSZTCEH-CQSZACIVSA-N 0 0 402.426 4.395 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000410056953 855804347 /nfs/dbraw/zinc/80/43/47/855804347.db2.gz CBRQJYRDAUYCTL-UHFFFAOYSA-N 0 0 405.458 4.065 20 5 HIBDRN CCc1n[nH]c(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000410107722 855823478 /nfs/dbraw/zinc/82/34/78/855823478.db2.gz WHXSYFWPIVMZMU-UHFFFAOYSA-N 0 0 414.359 4.000 20 5 HIBDRN O=C(c1ccc(N2CCC[C@@H]2CCC2CCCC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000410214516 855864802 /nfs/dbraw/zinc/86/48/02/855864802.db2.gz KSPSIPIFFNQHMF-LJQANCHMSA-N 0 0 401.507 4.006 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])CC2)c1 ZINC000410225988 855869358 /nfs/dbraw/zinc/86/93/58/855869358.db2.gz CDRYAOKRXNMWLM-UHFFFAOYSA-N 0 0 404.463 4.426 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2c(Br)cccc21 ZINC000410290023 855906497 /nfs/dbraw/zinc/90/64/97/855906497.db2.gz PYSMZTNBVXZHOC-CYBMUJFWSA-N 0 0 423.288 4.089 20 5 HIBDRN COc1cccc(Cc2nnc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)s2)c1 ZINC000410297233 855913459 /nfs/dbraw/zinc/91/34/59/855913459.db2.gz QRELKKUYBBHMLH-UHFFFAOYSA-N 0 0 416.484 4.020 20 5 HIBDRN C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000410305199 855917744 /nfs/dbraw/zinc/91/77/44/855917744.db2.gz UJTIZAJZEVPQHP-AWEZNQCLSA-N 0 0 419.466 4.395 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2ccc(C(F)(F)F)cc2=O)cc1OC ZINC000410317476 855924620 /nfs/dbraw/zinc/92/46/20/855924620.db2.gz SCCFKAWUQRYUFO-LBPRGKRZSA-N 0 0 414.380 4.257 20 5 HIBDRN C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H](c2ccccc2)CO1 ZINC000437397129 862738730 /nfs/dbraw/zinc/73/87/30/862738730.db2.gz YVRVVFPLJFLUBO-KOSHJBKYSA-N 0 0 412.489 4.143 20 5 HIBDRN CC[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000426004455 856041486 /nfs/dbraw/zinc/04/14/86/856041486.db2.gz PACDXDJBCQGWQJ-IBGZPJMESA-N 0 0 411.458 4.191 20 5 HIBDRN C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000426004834 856041800 /nfs/dbraw/zinc/04/18/00/856041800.db2.gz APVRVZBAWDHXBM-RVHYNSKXSA-N 0 0 405.458 4.080 20 5 HIBDRN O=C(NCc1coc(-c2ccccc2)n1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426007036 856044181 /nfs/dbraw/zinc/04/41/81/856044181.db2.gz IDDRHTKJIFZXKO-UHFFFAOYSA-N 0 0 420.347 4.268 20 5 HIBDRN C[C@@H]1C[C@H]1[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1 ZINC000426010384 856045006 /nfs/dbraw/zinc/04/50/06/856045006.db2.gz LQMJSPGWFGGWBK-OMWUSAIZSA-N 0 0 417.897 4.189 20 5 HIBDRN COc1cc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)cc1C ZINC000426017357 856049376 /nfs/dbraw/zinc/04/93/76/856049376.db2.gz ZKKICGVZFGRHIZ-UHFFFAOYSA-N 0 0 419.850 4.087 20 5 HIBDRN CCCC(=O)Nc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000426041039 856065842 /nfs/dbraw/zinc/06/58/42/856065842.db2.gz YHXRKMWANBMOSL-UHFFFAOYSA-N 0 0 410.474 4.208 20 5 HIBDRN CC(C)C[C@H]1OCCC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426183805 856161415 /nfs/dbraw/zinc/16/14/15/856161415.db2.gz QMCMFCWOAZALSE-HZPDHXFCSA-N 0 0 403.401 4.007 20 5 HIBDRN CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000426217911 856182964 /nfs/dbraw/zinc/18/29/64/856182964.db2.gz BVZDDTVKTFJTCC-RXVVDRJESA-N 0 0 411.506 4.098 20 5 HIBDRN O=C(NCc1ccc(N2CCCCCC2)nc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426222647 856186490 /nfs/dbraw/zinc/18/64/90/856186490.db2.gz NBRRUMCRJCOAAC-UHFFFAOYSA-N 0 0 423.517 4.244 20 5 HIBDRN COCCN(Cc1cccs1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426273898 856214464 /nfs/dbraw/zinc/21/44/64/856214464.db2.gz ALKGTCTUOGCNPB-UHFFFAOYSA-N 0 0 417.409 4.033 20 5 HIBDRN CN(C)c1cccc(CN(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000426277756 856216222 /nfs/dbraw/zinc/21/62/22/856216222.db2.gz KVNSRVHDTBSDDS-UHFFFAOYSA-N 0 0 410.396 4.021 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCCc2c(O)cccc21 ZINC000426277537 856216593 /nfs/dbraw/zinc/21/65/93/856216593.db2.gz MGMGQTXVSRFKJC-INIZCTEOSA-N 0 0 409.364 4.196 20 5 HIBDRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426280579 856217346 /nfs/dbraw/zinc/21/73/46/856217346.db2.gz MLBCATVRSGAYDD-OAHLLOKOSA-N 0 0 411.384 4.000 20 5 HIBDRN Cc1cc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)nc(N2CCCC2)n1 ZINC000426312346 856238862 /nfs/dbraw/zinc/23/88/62/856238862.db2.gz JBRCTXIBBQQFGN-JOCHJYFZSA-N 0 0 403.486 4.173 20 5 HIBDRN Cc1sc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)nc1-c1cccc2ccccc21 ZINC000426351547 856255681 /nfs/dbraw/zinc/25/56/81/856255681.db2.gz LNEJFHSUNGHPQR-UHFFFAOYSA-N 0 0 407.455 4.324 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCN(C2CC2)c2ccccc21 ZINC000426392289 856272417 /nfs/dbraw/zinc/27/24/17/856272417.db2.gz WPTMQBBKGPEOCI-UHFFFAOYSA-N 0 0 421.375 4.165 20 5 HIBDRN CC(C)(c1nc(CN(C(=O)c2ccccc2)C2CC2)no1)c1ccccc1[N+](=O)[O-] ZINC000426440913 856291390 /nfs/dbraw/zinc/29/13/90/856291390.db2.gz UFDMYTWMCJCDOO-UHFFFAOYSA-N 0 0 406.442 4.109 20 5 HIBDRN Cc1cn2c(nc(C)c2-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)s1 ZINC000426629786 856381763 /nfs/dbraw/zinc/38/17/63/856381763.db2.gz RXLZZLUOMMNESP-UHFFFAOYSA-N 0 0 420.248 4.400 20 5 HIBDRN COC(=O)c1c(F)ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1C ZINC000426717406 856430785 /nfs/dbraw/zinc/43/07/85/856430785.db2.gz PDMHEBJOACBWCP-UHFFFAOYSA-N 0 0 422.387 4.307 20 5 HIBDRN O=C([O-])[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000426738575 856445719 /nfs/dbraw/zinc/44/57/19/856445719.db2.gz XFVHDTYAOPLMQH-GOSISDBHSA-N 0 0 400.431 4.248 20 5 HIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000426742416 856446723 /nfs/dbraw/zinc/44/67/23/856446723.db2.gz JONXISMYVZFUFE-KRWDZBQOSA-N 0 0 413.817 4.261 20 5 HIBDRN O=C([O-])[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426745770 856450188 /nfs/dbraw/zinc/45/01/88/856450188.db2.gz VXOXNSATNGZSNY-QGZVFWFLSA-N 0 0 400.818 4.294 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+][C@@H](C(=O)[O-])C3(C)CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000426748060 856452571 /nfs/dbraw/zinc/45/25/71/856452571.db2.gz UNGMVHKECDIOLR-IBGZPJMESA-N 0 0 402.447 4.377 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+][C@H]3CCCCCC[C@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426754741 856457750 /nfs/dbraw/zinc/45/77/50/856457750.db2.gz SSGJAEGZCYQSDF-AEFFLSMTSA-N 0 0 402.447 4.377 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccco1 ZINC000426784193 856476000 /nfs/dbraw/zinc/47/60/00/856476000.db2.gz LWBZHJCXRUPGRJ-OAQYLSRUSA-N 0 0 407.426 4.054 20 5 HIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000426788626 856477913 /nfs/dbraw/zinc/47/79/13/856477913.db2.gz OGVXJZIZACJZEI-SFHVURJKSA-N 0 0 400.431 4.248 20 5 HIBDRN COc1cc(CN2CCC[C@@H]2c2csc(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000426792190 856481451 /nfs/dbraw/zinc/48/14/51/856481451.db2.gz LMLDWYBQDUACQH-CQSZACIVSA-N 0 0 413.446 4.349 20 5 HIBDRN COc1ccc([C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)[O-])cc1F ZINC000426799118 856485950 /nfs/dbraw/zinc/48/59/50/856485950.db2.gz KCNICCJVXJEPEX-LJQANCHMSA-N 0 0 416.430 4.387 20 5 HIBDRN Cc1ccccc1CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000437427519 862802592 /nfs/dbraw/zinc/80/25/92/862802592.db2.gz MJPXQHDURKCKIT-UHFFFAOYSA-N 0 0 417.465 4.379 20 5 HIBDRN Cc1ccc(Sc2ccc(C[NH2+][C@H](Cc3ccco3)C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000426814140 856493413 /nfs/dbraw/zinc/49/34/13/856493413.db2.gz CSGCJLJQEGSLER-GOSISDBHSA-N 0 0 412.467 4.433 20 5 HIBDRN COc1ccccc1[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426816719 856495291 /nfs/dbraw/zinc/49/52/91/856495291.db2.gz LYSQTGIABDOMDM-QFIPXVFZSA-N 0 0 421.453 4.287 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(F)(F)F)c(OC)c2)cc1OC ZINC000426924073 856544509 /nfs/dbraw/zinc/54/45/09/856544509.db2.gz NIWLYLHRVDLVBO-UHFFFAOYSA-N 0 0 414.336 4.282 20 5 HIBDRN C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000426992770 856584390 /nfs/dbraw/zinc/58/43/90/856584390.db2.gz AAZYTVYXJSYEKD-LBPRGKRZSA-N 0 0 404.879 4.306 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000427020718 856599318 /nfs/dbraw/zinc/59/93/18/856599318.db2.gz GKAXFVDRKLOGAI-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN Cc1cnc([C@@H](C)NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000427058518 856615158 /nfs/dbraw/zinc/61/51/58/856615158.db2.gz CNJNFNLZQZKYRJ-VNHYZAJKSA-N 0 0 402.520 4.333 20 5 HIBDRN O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427059616 856615171 /nfs/dbraw/zinc/61/51/71/856615171.db2.gz BJJXDTZZZBEUPG-GCJKJVERSA-N 0 0 412.486 4.235 20 5 HIBDRN Cc1cnc([C@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000427063708 856617118 /nfs/dbraw/zinc/61/71/18/856617118.db2.gz FMXLNMSWAKEJLF-JTQLQIEISA-N 0 0 402.398 4.058 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000427118530 856648487 /nfs/dbraw/zinc/64/84/87/856648487.db2.gz YJRDUALMZKJEEF-UHFFFAOYSA-N 0 0 409.364 4.475 20 5 HIBDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437459261 862822498 /nfs/dbraw/zinc/82/24/98/862822498.db2.gz CIKWWJKPPIMOBV-CQSZACIVSA-N 0 0 413.499 4.225 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000427154480 856674406 /nfs/dbraw/zinc/67/44/06/856674406.db2.gz HTSKHLAQDWZWAI-UHFFFAOYSA-N 0 0 406.829 4.407 20 5 HIBDRN O=C(NC[C@@H](CCO)c1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427154369 856674807 /nfs/dbraw/zinc/67/48/07/856674807.db2.gz WOYKVGCUWCNFPS-HXUWFJFHSA-N 0 0 420.465 4.070 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc(CCc3ccccc3)ccn2)c([N+](=O)[O-])cc1OC ZINC000427198342 856707855 /nfs/dbraw/zinc/70/78/55/856707855.db2.gz OFDBJZBZTDLFOT-UHFFFAOYSA-N 0 0 421.453 4.435 20 5 HIBDRN Cc1cc(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc(C)c1O ZINC000427266818 856743973 /nfs/dbraw/zinc/74/39/73/856743973.db2.gz VJBDLCGHQGQMPE-UHFFFAOYSA-N 0 0 420.465 4.469 20 5 HIBDRN O=C(c1ccc(OCc2ccccn2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437480017 862839144 /nfs/dbraw/zinc/83/91/44/862839144.db2.gz FIVDYWMKWPJWNF-UHFFFAOYSA-N 0 0 403.438 4.374 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 ZINC000427367551 856797689 /nfs/dbraw/zinc/79/76/89/856797689.db2.gz SVXRCINJXQJSHN-UHFFFAOYSA-N 0 0 403.398 4.386 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2ccc(SC)cc2)ns1 ZINC000427383099 856802849 /nfs/dbraw/zinc/80/28/49/856802849.db2.gz QBEWWPBTNAHNTD-UHFFFAOYSA-N 0 0 402.457 4.096 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)n1 ZINC000427391673 856803893 /nfs/dbraw/zinc/80/38/93/856803893.db2.gz PBPAGBHNCVTMRR-CYBMUJFWSA-N 0 0 424.301 4.206 20 5 HIBDRN CNC(=O)c1cc(Oc2cccc(NCc3c(F)cc([N+](=O)[O-])cc3F)c2)ccn1 ZINC000427421415 856813144 /nfs/dbraw/zinc/81/31/44/856813144.db2.gz PJBZJGQBLZWMPH-UHFFFAOYSA-N 0 0 414.368 4.032 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OCc3cccc(C)c3)cc2)n1 ZINC000427453112 856826928 /nfs/dbraw/zinc/82/69/28/856826928.db2.gz XFKLCUPUPZAXCC-MRXNPFEDSA-N 0 0 408.458 4.190 20 5 HIBDRN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427459295 856829710 /nfs/dbraw/zinc/82/97/10/856829710.db2.gz LWFZKEWHZSODTQ-HXUWFJFHSA-N 0 0 421.844 4.381 20 5 HIBDRN O=C(c1ccc(OCc2ccncc2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427594630 856881326 /nfs/dbraw/zinc/88/13/26/856881326.db2.gz AIIYHYCFUJYTFN-UHFFFAOYSA-N 0 0 403.438 4.374 20 5 HIBDRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000427596887 856883280 /nfs/dbraw/zinc/88/32/80/856883280.db2.gz OMPSYKJSGNXAGI-NRFANRHFSA-N 0 0 407.474 4.020 20 5 HIBDRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)o1 ZINC000437490217 862847894 /nfs/dbraw/zinc/84/78/94/862847894.db2.gz LSXNBRHQCCVSQB-LIRRHRJNSA-N 0 0 423.473 4.253 20 5 HIBDRN CCc1c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cnn1CCC(C)C ZINC000427644623 856895641 /nfs/dbraw/zinc/89/56/41/856895641.db2.gz ACLPJIWSIRYTEV-UHFFFAOYSA-N 0 0 408.886 4.461 20 5 HIBDRN C[C@H](Cc1cccc(O)c1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000427648258 856896841 /nfs/dbraw/zinc/89/68/41/856896841.db2.gz YVKVYFRUYKXSRC-CVEARBPZSA-N 0 0 420.469 4.230 20 5 HIBDRN C[C@H](C(=O)N(Cc1ccc(F)cc1)C1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000427734851 856928616 /nfs/dbraw/zinc/92/86/16/856928616.db2.gz NZTNKNAPEQEQEO-AWEZNQCLSA-N 0 0 404.413 4.184 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000427767876 856946695 /nfs/dbraw/zinc/94/66/95/856946695.db2.gz QLFSWGSJQPHTJR-UHFFFAOYSA-N 0 0 421.844 4.045 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000427789581 856955797 /nfs/dbraw/zinc/95/57/97/856955797.db2.gz OYYFOMUSJWBTHB-UHFFFAOYSA-N 0 0 423.494 4.319 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3[nH]c(-c4ccccc4)nc3c2)c([N+](=O)[O-])cc1OC ZINC000427792965 856957112 /nfs/dbraw/zinc/95/71/12/856957112.db2.gz BOKPQAWGLINREA-UHFFFAOYSA-N 0 0 418.409 4.408 20 5 HIBDRN O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000427830190 856972919 /nfs/dbraw/zinc/97/29/19/856972919.db2.gz UIBVMRDUHQGPIS-UHFFFAOYSA-N 0 0 409.364 4.234 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCS[C@H](C)CC2)cc1 ZINC000427916804 857006736 /nfs/dbraw/zinc/00/67/36/857006736.db2.gz RHUYRSTZGKZFKF-CQSZACIVSA-N 0 0 402.472 4.363 20 5 HIBDRN CCNC(=O)Nc1ccc(C)c(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 ZINC000427968086 857026943 /nfs/dbraw/zinc/02/69/43/857026943.db2.gz HDPIYLMFPJQKRK-UHFFFAOYSA-N 0 0 410.352 4.316 20 5 HIBDRN O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000427994541 857035209 /nfs/dbraw/zinc/03/52/09/857035209.db2.gz HUEUQWOGUJUKQA-UHFFFAOYSA-N 0 0 404.382 4.008 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Oc3ccc(CO)cc3)cc2)cc([N+](=O)[O-])c1OC ZINC000428006705 857039438 /nfs/dbraw/zinc/03/94/38/857039438.db2.gz OTCKLNCRNXIWQI-UHFFFAOYSA-N 0 0 424.409 4.149 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1OCc1ncccc1C(F)(F)F ZINC000428059380 857058263 /nfs/dbraw/zinc/05/82/63/857058263.db2.gz MZSZNFKZNDJYCL-UHFFFAOYSA-N 0 0 424.116 4.192 20 5 HIBDRN Cn1nc(-c2ccsc2)cc1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000428066907 857060656 /nfs/dbraw/zinc/06/06/56/857060656.db2.gz OJWFVUAVFPXXKP-UHFFFAOYSA-N 0 0 400.463 4.396 20 5 HIBDRN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c(CO)c2)cc1 ZINC000428089852 857068642 /nfs/dbraw/zinc/06/86/42/857068642.db2.gz VGRWTWSOFOHWEL-FQEVSTJZSA-N 0 0 412.486 4.127 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N2CCC[C@@H](OCC3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000428106179 857072850 /nfs/dbraw/zinc/07/28/50/857072850.db2.gz CEYWNBAYHKZATI-VQIMIIECSA-N 0 0 424.501 4.194 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000428138625 857085778 /nfs/dbraw/zinc/08/57/78/857085778.db2.gz CCXSIMHEMSJEBA-LBPRGKRZSA-N 0 0 415.833 4.397 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CCn3c(nnc3C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000428229955 857119641 /nfs/dbraw/zinc/11/96/41/857119641.db2.gz QLONHELLKXKPGM-UHFFFAOYSA-N 0 0 417.469 4.095 20 5 HIBDRN CN(Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000428248106 857124969 /nfs/dbraw/zinc/12/49/69/857124969.db2.gz LALNEWPHMUEXDN-UHFFFAOYSA-N 0 0 404.392 4.490 20 5 HIBDRN COc1cc(Cl)c(Br)cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000428274049 857136153 /nfs/dbraw/zinc/13/61/53/857136153.db2.gz AUYAASLQCLNNPK-UHFFFAOYSA-N 0 0 411.639 4.222 20 5 HIBDRN CC(=O)N(c1nc(Cn2nccc2[N+](=O)[O-])cs1)c1c(C)cc(C)cc1Cl ZINC000428281071 857139733 /nfs/dbraw/zinc/13/97/33/857139733.db2.gz IUBDCFXHWZUYLH-UHFFFAOYSA-N 0 0 405.867 4.251 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1cc(Cl)ccc1Cl ZINC000428346159 857164238 /nfs/dbraw/zinc/16/42/38/857164238.db2.gz NEYXYMUUUXWZCR-SNVBAGLBSA-N 0 0 415.298 4.477 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000428420502 857199427 /nfs/dbraw/zinc/19/94/27/857199427.db2.gz HJOALOOGWWLOSP-UHFFFAOYSA-N 0 0 410.348 4.474 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CCC[C@@H]21 ZINC000428521739 857238424 /nfs/dbraw/zinc/23/84/24/857238424.db2.gz XLZPDAFBPPFTLV-VGSWGCGISA-N 0 0 416.481 4.391 20 5 HIBDRN CCOc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000437566425 862889305 /nfs/dbraw/zinc/88/93/05/862889305.db2.gz HXLYUPKEZBSOPR-UHFFFAOYSA-N 0 0 415.446 4.077 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC[C@H]1CCO ZINC000428583533 857272253 /nfs/dbraw/zinc/27/22/53/857272253.db2.gz AHTIOYJKYHMRMA-HNNXBMFYSA-N 0 0 406.891 4.386 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC[C@H]1O ZINC000428672704 857293818 /nfs/dbraw/zinc/29/38/18/857293818.db2.gz CVMNOAFMGVONRV-SJKOYZFVSA-N 0 0 406.891 4.242 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000428672354 857294122 /nfs/dbraw/zinc/29/41/22/857294122.db2.gz XRGSZPMPCZNOHT-LKFCYVNXSA-N 0 0 414.293 4.011 20 5 HIBDRN C[C@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC[C@@H]1O ZINC000428669285 857294368 /nfs/dbraw/zinc/29/43/68/857294368.db2.gz PLWMOVOQFODROO-LRDDRELGSA-N 0 0 406.891 4.242 20 5 HIBDRN Cc1noc(C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2ccccc2)n1 ZINC000428679646 857295512 /nfs/dbraw/zinc/29/55/12/857295512.db2.gz LMKPHDDLIDFPPB-HNNXBMFYSA-N 0 0 403.236 4.445 20 5 HIBDRN COc1cc(CC2CN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc(OC)c1 ZINC000428697033 857300517 /nfs/dbraw/zinc/30/05/17/857300517.db2.gz XWBRFUBWUBQGLU-UHFFFAOYSA-N 0 0 420.469 4.056 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C ZINC000428813573 857356898 /nfs/dbraw/zinc/35/68/98/857356898.db2.gz AXKRUTWGYZMPKD-FQEVSTJZSA-N 0 0 422.485 4.015 20 5 HIBDRN O=C(NCC1(CCO)CC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000428843240 857369130 /nfs/dbraw/zinc/36/91/30/857369130.db2.gz HDSSZKXYTUCRKI-UHFFFAOYSA-N 0 0 406.891 4.292 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)cc1[N+](=O)[O-] ZINC000428885629 857390135 /nfs/dbraw/zinc/39/01/35/857390135.db2.gz KAQBOGFMDYBJME-OAHLLOKOSA-N 0 0 419.503 4.109 20 5 HIBDRN CC[C@@H](NC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000428889621 857393368 /nfs/dbraw/zinc/39/33/68/857393368.db2.gz XCWRWYXNOHGSBA-IIBYNOLFSA-N 0 0 412.490 4.261 20 5 HIBDRN COC[C@H](C)Nc1ccccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000437602359 862916576 /nfs/dbraw/zinc/91/65/76/862916576.db2.gz MLMAIRPOYNMUMM-ZDUSSCGKSA-N 0 0 412.471 4.417 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)cc1[N+](=O)[O-] ZINC000429058113 857483163 /nfs/dbraw/zinc/48/31/63/857483163.db2.gz CTGFLPPWTKEBRC-MRXNPFEDSA-N 0 0 412.490 4.480 20 5 HIBDRN COc1cc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000429148751 857531287 /nfs/dbraw/zinc/53/12/87/857531287.db2.gz FBYNKUOWEKVATL-BMLIUANNSA-N 0 0 414.430 4.058 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N2CCC(c3ncccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000429219979 857560649 /nfs/dbraw/zinc/56/06/49/857560649.db2.gz CULGKMDLTOTNMO-CQSZACIVSA-N 0 0 402.882 4.158 20 5 HIBDRN CC(C)(NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1[N+](=O)[O-] ZINC000429229972 857565699 /nfs/dbraw/zinc/56/56/99/857565699.db2.gz XLAKNOSWTJYHDC-UHFFFAOYSA-N 0 0 414.462 4.321 20 5 HIBDRN CC(C)(NCC(=O)N(Cc1ccccc1)CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000429247136 857573363 /nfs/dbraw/zinc/57/33/63/857573363.db2.gz IQVMBZNFNPICPZ-UHFFFAOYSA-N 0 0 409.408 4.011 20 5 HIBDRN CCCc1c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cnn1-c1ccc(F)cc1 ZINC000429337636 857608371 /nfs/dbraw/zinc/60/83/71/857608371.db2.gz YZRULXSMZSWUMI-UHFFFAOYSA-N 0 0 421.432 4.466 20 5 HIBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)Cc2cn3c(n2)CCCC3)cc1OC ZINC000429561633 857751218 /nfs/dbraw/zinc/75/12/18/857751218.db2.gz WUVUHMOSZVULJH-MRXNPFEDSA-N 0 0 416.522 4.193 20 5 HIBDRN CCOC(=O)c1csc(C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000429586805 857771602 /nfs/dbraw/zinc/77/16/02/857771602.db2.gz XOQVKPQTULZMOG-UHFFFAOYSA-N 0 0 409.895 4.261 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000429753332 857871345 /nfs/dbraw/zinc/87/13/45/857871345.db2.gz XANIFVMHXPUOHE-DENIHFKCSA-N 0 0 415.465 4.246 20 5 HIBDRN CC(C)COC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000429798687 857888169 /nfs/dbraw/zinc/88/81/69/857888169.db2.gz KLGVIBUIFWCCQT-AWEZNQCLSA-N 0 0 411.252 4.094 20 5 HIBDRN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000429830294 857900758 /nfs/dbraw/zinc/90/07/58/857900758.db2.gz PUXMEJMCZIXJLN-VIFPVBQESA-N 0 0 419.684 4.050 20 5 HIBDRN Cc1cccc(Cn2nccc2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000429843815 857906917 /nfs/dbraw/zinc/90/69/17/857906917.db2.gz GZTAMIRRHUUUDT-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN COc1ccc(CC[C@@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000429855545 857912326 /nfs/dbraw/zinc/91/23/26/857912326.db2.gz UIWBVWBCLOOAMX-GFCCVEGCSA-N 0 0 407.264 4.117 20 5 HIBDRN CN(C)c1ccc2cc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])ccc2n1 ZINC000429873912 857921340 /nfs/dbraw/zinc/92/13/40/857921340.db2.gz SDAQEXLQFJQIKR-UHFFFAOYSA-N 0 0 415.247 4.224 20 5 HIBDRN CSc1cnn(-c2ccccc2)c1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000429876569 857924238 /nfs/dbraw/zinc/92/42/38/857924238.db2.gz HVBNGVLLSDWRFB-UHFFFAOYSA-N 0 0 407.455 4.096 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n(-c2cc(C)nc(C)n2)n1 ZINC000429880333 857925076 /nfs/dbraw/zinc/92/50/76/857925076.db2.gz NVAHJBANHCMINJ-UHFFFAOYSA-N 0 0 408.462 4.046 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000429917127 857945566 /nfs/dbraw/zinc/94/55/66/857945566.db2.gz BDXXUDYHRNLTRZ-KRWDZBQOSA-N 0 0 405.248 4.247 20 5 HIBDRN COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429923306 857950252 /nfs/dbraw/zinc/95/02/52/857950252.db2.gz JQUCMZZRQNFAMZ-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CCCC2)cc1 ZINC000429967576 857973354 /nfs/dbraw/zinc/97/33/54/857973354.db2.gz SIUDYJLKYUKGEL-UHFFFAOYSA-N 0 0 416.499 4.245 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)nn1-c1ccc(Br)cc1 ZINC000429970607 857975322 /nfs/dbraw/zinc/97/53/22/857975322.db2.gz YOPKVOHCCJUKSE-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000437643102 862972737 /nfs/dbraw/zinc/97/27/37/862972737.db2.gz YBZIYAJKGTUFDU-FQEVSTJZSA-N 0 0 407.474 4.048 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000430134543 858047573 /nfs/dbraw/zinc/04/75/73/858047573.db2.gz PASPATOLGROCKH-GHTZIAJQSA-N 0 0 418.490 4.132 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CN[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000430202355 858080192 /nfs/dbraw/zinc/08/01/92/858080192.db2.gz GDTWMGNWDKIGOW-QFIPXVFZSA-N 0 0 402.454 4.369 20 5 HIBDRN Cn1cc(CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)Cc2ccc(Cl)cc2)cn1 ZINC000430272549 858103967 /nfs/dbraw/zinc/10/39/67/858103967.db2.gz YEDSJBFKBIBIJD-UHFFFAOYSA-N 0 0 410.865 4.060 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Cl)ccc2Br)cc([N+](=O)[O-])c1OC ZINC000430322832 858120991 /nfs/dbraw/zinc/12/09/91/858120991.db2.gz RYHPUGXGBMMYHE-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@@]1=O ZINC000430365560 858135885 /nfs/dbraw/zinc/13/58/85/858135885.db2.gz MHZMUSDCXDLHFH-QYSRSOONSA-N 0 0 422.890 4.024 20 5 HIBDRN COC(=O)c1nc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)sc1C1CC1 ZINC000430402607 858146723 /nfs/dbraw/zinc/14/67/23/858146723.db2.gz OCGJRWHWZUFLHL-UHFFFAOYSA-N 0 0 419.462 4.054 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(c2ccncc2)CC1 ZINC000430413558 858150205 /nfs/dbraw/zinc/15/02/05/858150205.db2.gz HLILOSPCHNFSPN-UHFFFAOYSA-N 0 0 419.431 4.374 20 5 HIBDRN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000430448668 858169972 /nfs/dbraw/zinc/16/99/72/858169972.db2.gz PUCGWGAWNGCQBX-UHFFFAOYSA-N 0 0 412.620 4.388 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000430456486 858174768 /nfs/dbraw/zinc/17/47/68/858174768.db2.gz NYIQFRPWPMEJDD-UHFFFAOYSA-N 0 0 404.637 4.067 20 5 HIBDRN CCCOc1cc(O)ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000430471132 858183688 /nfs/dbraw/zinc/18/36/88/858183688.db2.gz JCAUZEZRXXASOH-UHFFFAOYSA-N 0 0 402.450 4.288 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000430494675 858198784 /nfs/dbraw/zinc/19/87/84/858198784.db2.gz VVBNZPNLKAOJKB-NSHDSACASA-N 0 0 416.821 4.188 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(c2ccncc2)CC1 ZINC000430535385 858210398 /nfs/dbraw/zinc/21/03/98/858210398.db2.gz ABYHYFDNKLYWGP-UHFFFAOYSA-N 0 0 401.441 4.235 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC(c4ccncc4)CC3)cc2[N+](=O)[O-])C1 ZINC000430539326 858211301 /nfs/dbraw/zinc/21/13/01/858211301.db2.gz DJCBQGDDXGYAQP-QGZVFWFLSA-N 0 0 408.502 4.246 20 5 HIBDRN CC[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Oc1ccccc1F ZINC000430589852 858230048 /nfs/dbraw/zinc/23/00/48/858230048.db2.gz FUPPYEZBPPXKNI-LBPRGKRZSA-N 0 0 411.227 4.084 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000430637224 858242688 /nfs/dbraw/zinc/24/26/88/858242688.db2.gz BZEIPCPHDMZCEG-GFCCVEGCSA-N 0 0 415.247 4.034 20 5 HIBDRN O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430642324 858245258 /nfs/dbraw/zinc/24/52/58/858245258.db2.gz OGJCALAXQJCNJM-SKDRFNHKSA-N 0 0 409.202 4.456 20 5 HIBDRN Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000430678017 858264909 /nfs/dbraw/zinc/26/49/09/858264909.db2.gz LHHMLZCYQRQCSK-UHFFFAOYSA-N 0 0 400.328 4.012 20 5 HIBDRN O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000430707163 858275043 /nfs/dbraw/zinc/27/50/43/858275043.db2.gz FWKYJZHSHDLGTG-UHFFFAOYSA-N 0 0 418.331 4.257 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000430716713 858277362 /nfs/dbraw/zinc/27/73/62/858277362.db2.gz TUYPFEWWNGZTOB-PMERELPUSA-N 0 0 424.478 4.229 20 5 HIBDRN COCc1nc2cc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2o1 ZINC000430803357 858310806 /nfs/dbraw/zinc/31/08/06/858310806.db2.gz SSROGMMHHANUID-UHFFFAOYSA-N 0 0 410.411 4.258 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)ccc1[N+](=O)[O-] ZINC000430812754 858313070 /nfs/dbraw/zinc/31/30/70/858313070.db2.gz FMNAGJAWHHRZJK-OAHLLOKOSA-N 0 0 415.515 4.024 20 5 HIBDRN C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000430823197 858317061 /nfs/dbraw/zinc/31/70/61/858317061.db2.gz MTDASMALWGDIJC-HNNXBMFYSA-N 0 0 421.478 4.486 20 5 HIBDRN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000430838275 858325809 /nfs/dbraw/zinc/32/58/09/858325809.db2.gz KIRCQBWYEVDWND-KRWDZBQOSA-N 0 0 415.449 4.425 20 5 HIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(CN(CCc2ccccn2)Cc2cccnc2)c1 ZINC000430878960 858351623 /nfs/dbraw/zinc/35/16/23/858351623.db2.gz QOBFHTPXYQZSNI-UHFFFAOYSA-N 0 0 414.412 4.231 20 5 HIBDRN Cc1ccc2c(CCNC(=O)c3ccc(Br)cc3[N+](=O)[O-])c[nH]c2c1 ZINC000431035509 858412786 /nfs/dbraw/zinc/41/27/86/858412786.db2.gz SKMIYFQINLCJLA-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN COc1c(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000431132895 858462084 /nfs/dbraw/zinc/46/20/84/858462084.db2.gz PMIRBHDAPRZILO-HNNXBMFYSA-N 0 0 423.238 4.482 20 5 HIBDRN C[C@H](C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc([N+](=O)[O-])cc1F ZINC000431147297 858470559 /nfs/dbraw/zinc/47/05/59/858470559.db2.gz CQCSVQKXBSWOGH-RMLVOYDJSA-N 0 0 407.239 4.272 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)ccc1[N+](=O)[O-] ZINC000431156374 858475851 /nfs/dbraw/zinc/47/58/51/858475851.db2.gz FRTCWQCAOUVSAZ-OAHLLOKOSA-N 0 0 423.238 4.482 20 5 HIBDRN CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431162152 858479228 /nfs/dbraw/zinc/47/92/28/858479228.db2.gz RBLNMZJAFFQLKY-UHFFFAOYSA-N 0 0 406.261 4.239 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000431165815 858481444 /nfs/dbraw/zinc/48/14/44/858481444.db2.gz HGPXVWHMHMJVGQ-QGZVFWFLSA-N 0 0 407.239 4.403 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000431218809 858511823 /nfs/dbraw/zinc/51/18/23/858511823.db2.gz WTGMHKDQVSQYCQ-UHFFFAOYSA-N 0 0 402.147 4.220 20 5 HIBDRN Cc1cn(-c2ccccc2)nc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431227055 858517216 /nfs/dbraw/zinc/51/72/16/858517216.db2.gz YZOBSHGFBYOHJP-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN Cc1c(NC(=O)c2ccc(N3CCCC3=O)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000431245467 858527731 /nfs/dbraw/zinc/52/77/31/858527731.db2.gz FVJWZYHWLFVUQI-UHFFFAOYSA-N 0 0 418.247 4.045 20 5 HIBDRN O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431335632 858570194 /nfs/dbraw/zinc/57/01/94/858570194.db2.gz DHDIDOBURGBMGA-UHFFFAOYSA-N 0 0 407.268 4.771 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000431377175 858585876 /nfs/dbraw/zinc/58/58/76/858585876.db2.gz OMCABFULOZRMNK-UHFFFAOYSA-N 0 0 416.503 4.205 20 5 HIBDRN CN1C(=O)N(CCc2cccc([N+](=O)[O-])c2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000431386973 858589918 /nfs/dbraw/zinc/58/99/18/858589918.db2.gz ZVURGRGRNCEOCD-MRXNPFEDSA-N 0 0 408.241 4.079 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000431426169 858609202 /nfs/dbraw/zinc/60/92/02/858609202.db2.gz FZIMHIUOHOQVBW-MNOVXSKESA-N 0 0 400.179 4.322 20 5 HIBDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431441492 858616598 /nfs/dbraw/zinc/61/65/98/858616598.db2.gz BBWGZUMFUGFSBA-KRWDZBQOSA-N 0 0 421.247 4.167 20 5 HIBDRN Cc1nc(-c2ccc(CCNC(=O)COc3ccc([N+](=O)[O-])c(C)c3)s2)cs1 ZINC000431460262 858627689 /nfs/dbraw/zinc/62/76/89/858627689.db2.gz VDGAURNJGYREFM-UHFFFAOYSA-N 0 0 417.512 4.134 20 5 HIBDRN Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1C(=O)NC(C)C ZINC000431474120 858634110 /nfs/dbraw/zinc/63/41/10/858634110.db2.gz SRXWRRQNPMODFG-UHFFFAOYSA-N 0 0 420.263 4.056 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431483053 858638873 /nfs/dbraw/zinc/63/88/73/858638873.db2.gz OBKGKWLCVYKIQF-ROUUACIJSA-N 0 0 419.275 4.316 20 5 HIBDRN Cc1cc(N[C@H](C)c2ncc(Br)cn2)c(Br)cc1[N+](=O)[O-] ZINC000431501147 858646206 /nfs/dbraw/zinc/64/62/06/858646206.db2.gz WFJBEJBKIXFIJG-MRVPVSSYSA-N 0 0 416.073 4.391 20 5 HIBDRN CCCC(=O)Nc1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431621265 858695426 /nfs/dbraw/zinc/69/54/26/858695426.db2.gz LQDKWVGXOGKSNA-UHFFFAOYSA-N 0 0 420.263 4.026 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cc(F)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000431668338 858726165 /nfs/dbraw/zinc/72/61/65/858726165.db2.gz XGTLLXDWTWDDCE-MRXNPFEDSA-N 0 0 408.813 4.200 20 5 HIBDRN O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431707600 858753367 /nfs/dbraw/zinc/75/33/67/858753367.db2.gz YNTGPQXIRPDEQQ-UHFFFAOYSA-N 0 0 415.203 4.192 20 5 HIBDRN COc1ccc(CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000431769720 858804094 /nfs/dbraw/zinc/80/40/94/858804094.db2.gz IWUXRTGQDDHSAH-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN CN(Cc1c(F)cccc1Cl)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431772901 858805251 /nfs/dbraw/zinc/80/52/51/858805251.db2.gz NGTYGERXFDUFPE-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000437736263 863065255 /nfs/dbraw/zinc/06/52/55/863065255.db2.gz MRUVHSVQXJIDGT-KPZWWZAWSA-N 0 0 410.396 4.118 20 5 HIBDRN Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CC(C)(C)c3ccccc32)cc1[N+](=O)[O-] ZINC000431871918 858848837 /nfs/dbraw/zinc/84/88/37/858848837.db2.gz SCRVYBXFKVVKKZ-MRXNPFEDSA-N 0 0 423.498 4.027 20 5 HIBDRN Cc1ccc([C@H](C)N2C(=O)CN(Cc3ccc(C(F)(F)F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000431934590 858877316 /nfs/dbraw/zinc/87/73/16/858877316.db2.gz FBEQPSRCTZAXLL-ZDUSSCGKSA-N 0 0 421.375 4.447 20 5 HIBDRN Cc1ccc([C@@H](C)N2C(=O)[C@H](c3cc(F)c(F)c(F)c3)N(C)C2=O)cc1[N+](=O)[O-] ZINC000431954903 858886158 /nfs/dbraw/zinc/88/61/58/858886158.db2.gz OLSLYQAKPROTIP-QGHHPUGFSA-N 0 0 407.348 4.017 20 5 HIBDRN CC(C)(NC(=O)NCCc1coc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000431991745 858909172 /nfs/dbraw/zinc/90/91/72/858909172.db2.gz LZXRDDCRWVJAQN-UHFFFAOYSA-N 0 0 412.421 4.166 20 5 HIBDRN COc1ccc(NC(=O)CN2CCCC[C@H]2c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000432020576 858933074 /nfs/dbraw/zinc/93/30/74/858933074.db2.gz SJWTXVLPNSSKGE-SFHVURJKSA-N 0 0 405.401 4.047 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC[C@H](c2ccccc2)C(F)(F)F)s1 ZINC000432132556 859008183 /nfs/dbraw/zinc/00/81/83/859008183.db2.gz DOZJPVJONPDKBY-LLVKDONJSA-N 0 0 408.423 4.208 20 5 HIBDRN CC1(C)CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000432143402 859013144 /nfs/dbraw/zinc/01/31/44/859013144.db2.gz NLVXTVVDURTWNP-CQSZACIVSA-N 0 0 421.379 4.013 20 5 HIBDRN O=[N+]([O-])c1cccc2c(N3CC[C@H](Oc4ccc(C(F)(F)F)cn4)C3)ccnc21 ZINC000432165084 859025981 /nfs/dbraw/zinc/02/59/81/859025981.db2.gz DJBOKJJALOJTSY-ZDUSSCGKSA-N 0 0 404.348 4.215 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432168658 859028000 /nfs/dbraw/zinc/02/80/00/859028000.db2.gz ZFQKNRBJSVMMLQ-LBPRGKRZSA-N 0 0 405.380 4.279 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)cc1C ZINC000432268782 859077462 /nfs/dbraw/zinc/07/74/62/859077462.db2.gz PDIYYMIGEAHPRR-AWEZNQCLSA-N 0 0 414.405 4.457 20 5 HIBDRN CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000432271292 859078731 /nfs/dbraw/zinc/07/87/31/859078731.db2.gz QFKKYJVONLGNKE-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n(Cc2ccccc2)n1 ZINC000432373336 859128853 /nfs/dbraw/zinc/12/88/53/859128853.db2.gz OXDCSZTYXYIGSQ-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN C[C@H]1CC[S@](=O)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000432443070 859166379 /nfs/dbraw/zinc/16/63/79/859166379.db2.gz TUCMDMXBQMNRLD-OIJAAMDRSA-N 0 0 422.890 4.024 20 5 HIBDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000432512899 859202651 /nfs/dbraw/zinc/20/26/51/859202651.db2.gz YKBUZWVGFMWPOU-UHFFFAOYSA-N 0 0 415.515 4.122 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000467580089 881395386 /nfs/dbraw/zinc/39/53/86/881395386.db2.gz SQDFHWBTDAPPAP-UHFFFAOYSA-N 0 0 404.370 4.136 20 5 HIBDRN CCCc1c(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000432562710 859227926 /nfs/dbraw/zinc/22/79/26/859227926.db2.gz NKRONLTWQLENNJ-UHFFFAOYSA-N 0 0 424.457 4.311 20 5 HIBDRN C[C@H]1CC2(CCC2)CN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000432590600 859243468 /nfs/dbraw/zinc/24/34/68/859243468.db2.gz BSTLIGCHCFEKOO-NSHDSACASA-N 0 0 409.273 4.492 20 5 HIBDRN O=C(N[C@H](c1ccccc1)c1cccnc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432676426 859285802 /nfs/dbraw/zinc/28/58/02/859285802.db2.gz ALTNYIVJRBDCPA-GOSISDBHSA-N 0 0 412.243 4.272 20 5 HIBDRN O=C(N[C@H](c1nccs1)c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432678981 859288232 /nfs/dbraw/zinc/28/82/32/859288232.db2.gz VBCZVRGVKXTYTC-HNNXBMFYSA-N 0 0 418.272 4.333 20 5 HIBDRN CC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000432680971 859290267 /nfs/dbraw/zinc/29/02/67/859290267.db2.gz ZKSZRYWSWDEWTQ-ZDUSSCGKSA-N 0 0 403.236 4.115 20 5 HIBDRN CC(C)(NC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1[N+](=O)[O-] ZINC000432698846 859301690 /nfs/dbraw/zinc/30/16/90/859301690.db2.gz WPMNCRUQQXRXEF-UHFFFAOYSA-N 0 0 405.838 4.466 20 5 HIBDRN Cc1cccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1C(=O)N1CCCC1 ZINC000432723772 859319670 /nfs/dbraw/zinc/31/96/70/859319670.db2.gz CERCPKMDVRPAPA-UHFFFAOYSA-N 0 0 410.474 4.196 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC000432741057 859330082 /nfs/dbraw/zinc/33/00/82/859330082.db2.gz ZCRZKOVXURSTIF-UHFFFAOYSA-N 0 0 419.210 4.067 20 5 HIBDRN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](COC)Cc1ccccc1 ZINC000432745744 859331157 /nfs/dbraw/zinc/33/11/57/859331157.db2.gz WMPUULCMQCORIV-GOSISDBHSA-N 0 0 421.291 4.077 20 5 HIBDRN COc1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)c([N+](=O)[O-])cc1OC ZINC000432852319 859388801 /nfs/dbraw/zinc/38/88/01/859388801.db2.gz FPVIIHFAOIRUJF-MRXNPFEDSA-N 0 0 406.385 4.258 20 5 HIBDRN O=C(c1cc2ccccc2s1)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000432928382 859433850 /nfs/dbraw/zinc/43/38/50/859433850.db2.gz RNHAZNJMQUTPLV-UHFFFAOYSA-N 0 0 418.478 4.320 20 5 HIBDRN COc1cc(N2CCC(Nc3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] ZINC000432925035 859433941 /nfs/dbraw/zinc/43/39/41/859433941.db2.gz PWSWUDVWBGUBAP-UHFFFAOYSA-N 0 0 406.280 4.447 20 5 HIBDRN COc1cc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])ccc1Br ZINC000432985588 859463917 /nfs/dbraw/zinc/46/39/17/859463917.db2.gz NVQVRBZFHWVUDB-UHFFFAOYSA-N 0 0 408.252 4.423 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000433011705 859477329 /nfs/dbraw/zinc/47/73/29/859477329.db2.gz GUENJKJZGXXGGO-MRXNPFEDSA-N 0 0 404.264 4.074 20 5 HIBDRN C[C@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000433027531 859487084 /nfs/dbraw/zinc/48/70/84/859487084.db2.gz LFZJHIMRPMQDMI-PWFNWSNSSA-N 0 0 408.907 4.241 20 5 HIBDRN C[C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[S@]1=O ZINC000433035997 859493415 /nfs/dbraw/zinc/49/34/15/859493415.db2.gz PWZTUTJKLFAKSU-PGGUUEOZSA-N 0 0 408.907 4.383 20 5 HIBDRN C[C@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[S@@]1=O ZINC000433052407 859501787 /nfs/dbraw/zinc/50/17/87/859501787.db2.gz MFTOKKPDVCBZEM-PWFNWSNSSA-N 0 0 408.907 4.383 20 5 HIBDRN CC(C)n1c(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc2ccccc21 ZINC000433143818 859538893 /nfs/dbraw/zinc/53/88/93/859538893.db2.gz JIIKYSXLICJTFF-UHFFFAOYSA-N 0 0 417.263 4.218 20 5 HIBDRN O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433145942 859540264 /nfs/dbraw/zinc/54/02/64/859540264.db2.gz SGVNESQGKSNSCD-UHFFFAOYSA-N 0 0 422.626 4.048 20 5 HIBDRN CCC[C@H](C)C(=O)NCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000433163966 859548465 /nfs/dbraw/zinc/54/84/65/859548465.db2.gz CZPBBKFFCWTBDT-HNNXBMFYSA-N 0 0 414.462 4.061 20 5 HIBDRN CSCC[C@@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nnc2ccccn21 ZINC000433177792 859556708 /nfs/dbraw/zinc/55/67/08/859556708.db2.gz VPBYVFMZOSJMFI-MSOLQXFVSA-N 0 0 411.531 4.444 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1[N+](=O)[O-] ZINC000433421050 859691229 /nfs/dbraw/zinc/69/12/29/859691229.db2.gz NJPHFKAPSDSPIB-LBPRGKRZSA-N 0 0 415.400 4.465 20 5 HIBDRN O=[N+]([O-])c1cc(F)cc(Oc2ncnc3ccc(I)cc32)c1 ZINC000433433716 859701477 /nfs/dbraw/zinc/70/14/77/859701477.db2.gz MWQNPGSCDALYFI-UHFFFAOYSA-N 0 0 411.130 4.074 20 5 HIBDRN CNC(=O)c1cc(Br)ccc1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000433476668 859721484 /nfs/dbraw/zinc/72/14/84/859721484.db2.gz CFKLJSZQUVGISA-UHFFFAOYSA-N 0 0 422.279 4.116 20 5 HIBDRN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000433572272 859786371 /nfs/dbraw/zinc/78/63/71/859786371.db2.gz AOBLSRPONCXWGL-BFUOFWGJSA-N 0 0 409.467 4.183 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cccnc2)nc1N1CCC[C@H]1c1cccnc1 ZINC000433600949 859804918 /nfs/dbraw/zinc/80/49/18/859804918.db2.gz VALFWHARIYBDQO-PMACEKPBSA-N 0 0 416.485 4.463 20 5 HIBDRN O=C(COc1cc(F)cc([N+](=O)[O-])c1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000433654197 859825971 /nfs/dbraw/zinc/82/59/71/859825971.db2.gz AMNMMGRGHZUYRG-INIZCTEOSA-N 0 0 415.402 4.145 20 5 HIBDRN CCn1cccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1=O ZINC000433680671 859836183 /nfs/dbraw/zinc/83/61/83/859836183.db2.gz QZCVJBRYBDUSJI-UHFFFAOYSA-N 0 0 423.494 4.166 20 5 HIBDRN COc1ccc(-c2nc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])sc2C)cc1 ZINC000433857700 859938297 /nfs/dbraw/zinc/93/82/97/859938297.db2.gz KUIFHCPZLYCFMI-UHFFFAOYSA-N 0 0 401.448 4.134 20 5 HIBDRN C[C@H](c1cccc(O)c1)N(C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000433925302 859976202 /nfs/dbraw/zinc/97/62/02/859976202.db2.gz GTLXAGAPHRZGDQ-GFCCVEGCSA-N 0 0 411.380 4.341 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1[N+](=O)[O-] ZINC000433994813 860025408 /nfs/dbraw/zinc/02/54/08/860025408.db2.gz VIULJBSHVPRWRN-UHFFFAOYSA-N 0 0 411.393 4.085 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1C ZINC000434051354 860065218 /nfs/dbraw/zinc/06/52/18/860065218.db2.gz ZUODKCGECIVMPO-CYBMUJFWSA-N 0 0 402.476 4.164 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)c1[N+](=O)[O-] ZINC000434184812 860175349 /nfs/dbraw/zinc/17/53/49/860175349.db2.gz VKXGDOXWEUIXCX-QGZVFWFLSA-N 0 0 406.442 4.362 20 5 HIBDRN COc1ccc(CN(Cc2ccccc2)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000434224713 860209205 /nfs/dbraw/zinc/20/92/05/860209205.db2.gz CRXGTFOVZYTUST-UHFFFAOYSA-N 0 0 408.458 4.293 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccccc2-c2nnc(-c3ccccc3)[nH]2)c1[N+](=O)[O-] ZINC000434226601 860212011 /nfs/dbraw/zinc/21/20/11/860212011.db2.gz SNWOIYMAZQCFPN-UHFFFAOYSA-N 0 0 417.429 4.146 20 5 HIBDRN CCCC(=O)Nc1nc2ccc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])cc2s1 ZINC000434228764 860213344 /nfs/dbraw/zinc/21/33/44/860213344.db2.gz OZNIAGHIFJYJDR-UHFFFAOYSA-N 0 0 416.463 4.042 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000434250897 860230639 /nfs/dbraw/zinc/23/06/39/860230639.db2.gz SVOOELGBHKQCDR-YJBOKZPZSA-N 0 0 400.500 4.241 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@H](c4ccccc4)[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434251211 860231058 /nfs/dbraw/zinc/23/10/58/860231058.db2.gz URKHYQMAROXOFM-VGSWGCGISA-N 0 0 418.497 4.475 20 5 HIBDRN COC(=O)[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)c1ccc(F)cc1 ZINC000434307573 860269740 /nfs/dbraw/zinc/26/97/40/860269740.db2.gz MGKIXSTVEMLMEW-NRFANRHFSA-N 0 0 402.425 4.214 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nccn1CCCc1ccccc1 ZINC000434379913 860323968 /nfs/dbraw/zinc/32/39/68/860323968.db2.gz NDTZCNKIGQZWNZ-KRWDZBQOSA-N 0 0 424.526 4.221 20 5 HIBDRN CC(C)(c1ccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1)C(F)(F)F ZINC000434514681 860382672 /nfs/dbraw/zinc/38/26/72/860382672.db2.gz SCDDTLWACVTXFD-UHFFFAOYSA-N 0 0 419.363 4.472 20 5 HIBDRN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)CC2 ZINC000467732112 881532800 /nfs/dbraw/zinc/53/28/00/881532800.db2.gz OSHBJNSNWFDTDZ-GFCCVEGCSA-N 0 0 408.380 4.072 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCO[C@@H](c4cccc(Br)c4)C3)nc2c1 ZINC000434838836 860515329 /nfs/dbraw/zinc/51/53/29/860515329.db2.gz BQNQXRHXKFVCRJ-QGZVFWFLSA-N 0 0 418.247 4.072 20 5 HIBDRN Cc1nn(C)c(C)c1NC(=O)CNc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000434877543 860530976 /nfs/dbraw/zinc/53/09/76/860530976.db2.gz RDPBZVNYFCQZBG-UHFFFAOYSA-N 0 0 417.516 4.208 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(OCC2CCCC2)CC1 ZINC000434895337 860541141 /nfs/dbraw/zinc/54/11/41/860541141.db2.gz JLHKBIVFTFDUAF-AWEZNQCLSA-N 0 0 409.914 4.246 20 5 HIBDRN O=C(c1ccc(F)cc1)C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000435052714 860616045 /nfs/dbraw/zinc/61/60/45/860616045.db2.gz XEIFJOAVTATLBC-UHFFFAOYSA-N 0 0 408.376 4.430 20 5 HIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000435055052 860617866 /nfs/dbraw/zinc/61/78/66/860617866.db2.gz ARQNRZYNPMFBHB-UHFFFAOYSA-N 0 0 406.433 4.109 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1csc(CCc2ccccc2)n1 ZINC000435072218 860628597 /nfs/dbraw/zinc/62/85/97/860628597.db2.gz DDZXISYTXLXACB-UHFFFAOYSA-N 0 0 412.471 4.167 20 5 HIBDRN CN(C)C(=O)Nc1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000435076586 860630451 /nfs/dbraw/zinc/63/04/51/860630451.db2.gz WFQMRYXLQAWLJF-UHFFFAOYSA-N 0 0 418.881 4.094 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435127152 860653023 /nfs/dbraw/zinc/65/30/23/860653023.db2.gz AFMQHSZINQWBAL-SNVBAGLBSA-N 0 0 400.382 4.482 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(I)c(F)cc1F ZINC000435162252 860671763 /nfs/dbraw/zinc/67/17/63/860671763.db2.gz YJOQTWLTOPPLIE-UHFFFAOYSA-N 0 0 418.137 4.038 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)cc1[N+](=O)[O-] ZINC000435270808 860710594 /nfs/dbraw/zinc/71/05/94/860710594.db2.gz UDTGICYGBGAMEL-GFCCVEGCSA-N 0 0 404.854 4.141 20 5 HIBDRN Cc1ccc(C2(CNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCC2)cc1C ZINC000435315095 860731935 /nfs/dbraw/zinc/73/19/35/860731935.db2.gz JOXFCBWIROCMKC-UHFFFAOYSA-N 0 0 415.877 4.042 20 5 HIBDRN Cc1c(NC(=O)N(CCCO)Cc2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000435322996 860734773 /nfs/dbraw/zinc/73/47/73/860734773.db2.gz IVDALHCHWRNYQF-UHFFFAOYSA-N 0 0 422.279 4.082 20 5 HIBDRN Cc1c(NC(=O)N2CCC(c3ccncc3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435322929 860734858 /nfs/dbraw/zinc/73/48/58/860734858.db2.gz IGDLVFXDQJAJKQ-UHFFFAOYSA-N 0 0 419.279 4.472 20 5 HIBDRN Cc1c(NC(=O)N2CC=C(C(F)(F)F)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435325513 860736647 /nfs/dbraw/zinc/73/66/47/860736647.db2.gz AQNRIQXBWWYYTJ-UHFFFAOYSA-N 0 0 408.174 4.392 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)cc(Br)cc1[N+](=O)[O-] ZINC000435326275 860737040 /nfs/dbraw/zinc/73/70/40/860737040.db2.gz CGZHHBGTEBMNRE-DZGCQCFKSA-N 0 0 422.283 4.168 20 5 HIBDRN CCc1ccc(C(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000435328461 860740019 /nfs/dbraw/zinc/74/00/19/860740019.db2.gz RNAPAUMXLBTJGM-UHFFFAOYSA-N 0 0 412.877 4.350 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc(Br)cc1[N+](=O)[O-] ZINC000435333983 860744901 /nfs/dbraw/zinc/74/49/01/860744901.db2.gz VIUFVEIXYDHUSG-APHBMKBZSA-N 0 0 424.295 4.135 20 5 HIBDRN CN(C)Cc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl ZINC000467763950 881581610 /nfs/dbraw/zinc/58/16/10/881581610.db2.gz XPWHPGHWQKOJLI-UHFFFAOYSA-N 0 0 412.273 4.371 20 5 HIBDRN C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435449144 860802274 /nfs/dbraw/zinc/80/22/74/860802274.db2.gz OJSSCTHZULPODJ-OCCSQVGLSA-N 0 0 408.501 4.330 20 5 HIBDRN CC1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CCCC1 ZINC000435504431 860826534 /nfs/dbraw/zinc/82/65/34/860826534.db2.gz HNSATSPUKRYUQU-UHFFFAOYSA-N 0 0 419.528 4.443 20 5 HIBDRN C[C@H](NC(=O)NCc1csc(CCc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000435520309 860837423 /nfs/dbraw/zinc/83/74/23/860837423.db2.gz QYYKCPCBTMNGQK-HNNXBMFYSA-N 0 0 410.499 4.397 20 5 HIBDRN CC(C)(NC(=O)NCc1nccn1CCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000435523611 860840209 /nfs/dbraw/zinc/84/02/09/860840209.db2.gz WKBKNWZHDNJCSI-UHFFFAOYSA-N 0 0 421.501 4.159 20 5 HIBDRN COc1cccc(C(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)c1[N+](=O)[O-] ZINC000435543109 860857177 /nfs/dbraw/zinc/85/71/77/860857177.db2.gz TWSOCPQFJLMROO-CQSZACIVSA-N 0 0 402.447 4.138 20 5 HIBDRN COc1cc(NC(C)=O)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000435546423 860861577 /nfs/dbraw/zinc/86/15/77/860861577.db2.gz SEKYFVSAAQIVTO-UHFFFAOYSA-N 0 0 400.435 4.004 20 5 HIBDRN COc1cccc(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)c1[N+](=O)[O-] ZINC000435620113 860921962 /nfs/dbraw/zinc/92/19/62/860921962.db2.gz ZJOSYZUCSZMACN-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN NC(=O)c1ccc(CN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000467776220 881595366 /nfs/dbraw/zinc/59/53/66/881595366.db2.gz QQRJSKPDDFXTCI-HXUWFJFHSA-N 0 0 413.836 4.365 20 5 HIBDRN COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000435669353 860948984 /nfs/dbraw/zinc/94/89/84/860948984.db2.gz KYWKQFAAFQCTKK-UHFFFAOYSA-N 0 0 421.409 4.117 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)c1[N+](=O)[O-] ZINC000435683590 860964997 /nfs/dbraw/zinc/96/49/97/860964997.db2.gz IQUXGEAAELZLQI-UHFFFAOYSA-N 0 0 404.382 4.301 20 5 HIBDRN COc1cccc(C(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000435690376 860971911 /nfs/dbraw/zinc/97/19/11/860971911.db2.gz GWXXAFHWBRIMEN-GOSISDBHSA-N 0 0 406.442 4.286 20 5 HIBDRN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435709567 860991238 /nfs/dbraw/zinc/99/12/38/860991238.db2.gz PVJVVFGLSFIIBY-SFHVURJKSA-N 0 0 411.483 4.132 20 5 HIBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccncc2)cc1 ZINC000467784812 881606606 /nfs/dbraw/zinc/60/66/06/881606606.db2.gz PTRBFFCTWYOBAR-CYBMUJFWSA-N 0 0 417.874 4.350 20 5 HIBDRN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435814180 861078226 /nfs/dbraw/zinc/07/82/26/861078226.db2.gz RCBIXUQSLKNJPN-INIZCTEOSA-N 0 0 423.476 4.095 20 5 HIBDRN Cc1cccc(N2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)c1C ZINC000435813536 861079169 /nfs/dbraw/zinc/07/91/69/861079169.db2.gz JPJDQCZMTOSGEJ-UHFFFAOYSA-N 0 0 411.505 4.261 20 5 HIBDRN Cc1nn(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1-c1ccccc1 ZINC000435816525 861082238 /nfs/dbraw/zinc/08/22/38/861082238.db2.gz HJKZWTLIQPTPBZ-NRFANRHFSA-N 0 0 408.483 4.041 20 5 HIBDRN COc1ccccc1CN(C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435834838 861097220 /nfs/dbraw/zinc/09/72/20/861097220.db2.gz LHFSSSUSKQITEF-UHFFFAOYSA-N 0 0 408.404 4.240 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(CC2CCC2)[C@H](C)CO)cc1 ZINC000435852124 861112738 /nfs/dbraw/zinc/11/27/38/861112738.db2.gz TYANYQLXFKDSSI-OAHLLOKOSA-N 0 0 414.458 4.019 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1C ZINC000435877533 861136462 /nfs/dbraw/zinc/13/64/62/861136462.db2.gz RVXZWNGLHOKOIS-UHFFFAOYSA-N 0 0 421.403 4.479 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c1[N+](=O)[O-] ZINC000435880558 861139299 /nfs/dbraw/zinc/13/92/99/861139299.db2.gz PSOJMJOSMIUXFY-UHFFFAOYSA-N 0 0 418.409 4.082 20 5 HIBDRN CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000467800033 881623114 /nfs/dbraw/zinc/62/31/14/881623114.db2.gz VQLNVQOWXQTFBP-HOCLYGCPSA-N 0 0 408.907 4.453 20 5 HIBDRN O=C(c1ccccc1)C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000435882633 861140704 /nfs/dbraw/zinc/14/07/04/861140704.db2.gz UOYXJIYGQAPOCL-UHFFFAOYSA-N 0 0 410.473 4.416 20 5 HIBDRN COc1cccc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] ZINC000435902862 861161072 /nfs/dbraw/zinc/16/10/72/861161072.db2.gz OPBNPYWIMNDLDC-JTQLQIEISA-N 0 0 415.393 4.099 20 5 HIBDRN CCOC(=O)CCc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000437776476 863095399 /nfs/dbraw/zinc/09/53/99/863095399.db2.gz QWPXPXFGSGNBHR-UHFFFAOYSA-N 0 0 411.458 4.287 20 5 HIBDRN O=C(NCCOc1ncccc1F)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000437784775 863102241 /nfs/dbraw/zinc/10/22/41/863102241.db2.gz KQCLJFGCYMXKPG-UHFFFAOYSA-N 0 0 412.377 4.122 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(N3CCOC(C)(C)C3)cc2OC)cc1[N+](=O)[O-] ZINC000437811695 863139433 /nfs/dbraw/zinc/13/94/33/863139433.db2.gz SJFRSUVAKPQRIB-UHFFFAOYSA-N 0 0 413.474 4.033 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437819803 863158420 /nfs/dbraw/zinc/15/84/20/863158420.db2.gz KRCFERHMWJFBIE-VLIAUNLRSA-N 0 0 418.877 4.303 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000437851068 863210690 /nfs/dbraw/zinc/21/06/90/863210690.db2.gz RNNZRCRGGJTTEK-SAZUREKKSA-N 0 0 411.355 4.498 20 5 HIBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000437914334 863290226 /nfs/dbraw/zinc/29/02/26/863290226.db2.gz ILHXITVCRPRQIK-UHFFFAOYSA-N 0 0 414.465 4.336 20 5 HIBDRN CC1CCN(c2ccc(CNC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cn2)CC1 ZINC000437932396 863309084 /nfs/dbraw/zinc/30/90/84/863309084.db2.gz ZMPDKVABOMMFLV-UHFFFAOYSA-N 0 0 423.517 4.100 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](C1CCCC1)C(F)(F)F ZINC000437948722 863321286 /nfs/dbraw/zinc/32/12/86/863321286.db2.gz CDNWZHJRVONMSI-NRFANRHFSA-N 0 0 402.416 4.392 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000437949310 863322980 /nfs/dbraw/zinc/32/29/80/863322980.db2.gz RZDRJJQBPTUGKK-UHFFFAOYSA-N 0 0 416.359 4.419 20 5 HIBDRN Cn1ccnc1-c1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000437979969 863346961 /nfs/dbraw/zinc/34/69/61/863346961.db2.gz XHSIZEXDDDLUBZ-UHFFFAOYSA-N 0 0 421.457 4.071 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1noc(-c2ccccc2)n1 ZINC000437984921 863350167 /nfs/dbraw/zinc/35/01/67/863350167.db2.gz HLGQIDWPAAIHJA-CQSZACIVSA-N 0 0 407.430 4.080 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(-n2cccn2)c1 ZINC000437986418 863351775 /nfs/dbraw/zinc/35/17/75/863351775.db2.gz MIEUFZHOAYMQRA-INIZCTEOSA-N 0 0 405.458 4.216 20 5 HIBDRN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000438031515 863391621 /nfs/dbraw/zinc/39/16/21/863391621.db2.gz GIWSJADSHIKWLU-IAGOWNOFSA-N 0 0 413.312 4.461 20 5 HIBDRN CCn1ncc2ccc(NC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc21 ZINC000438090146 863491161 /nfs/dbraw/zinc/49/11/61/863491161.db2.gz APWGXRLLJCGENM-UHFFFAOYSA-N 0 0 409.446 4.040 20 5 HIBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438151622 863571688 /nfs/dbraw/zinc/57/16/88/863571688.db2.gz MCIYOBTTXMFEHA-VGTOOOLASA-N 0 0 405.248 4.040 20 5 HIBDRN O=C(NCc1ccc(O)c(Br)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438178250 863602536 /nfs/dbraw/zinc/60/25/36/863602536.db2.gz MKYXKRQTTVMPLK-UHFFFAOYSA-N 0 0 419.153 4.012 20 5 HIBDRN CCCOc1cc(NC(=O)c2cn3ccnc3s2)c([N+](=O)[O-])cc1OCCC ZINC000467851388 881700362 /nfs/dbraw/zinc/70/03/62/881700362.db2.gz MHFCVGWBPUJLEY-UHFFFAOYSA-N 0 0 404.448 4.134 20 5 HIBDRN COc1ccc(CSCC(=O)NCc2cccc(CSC)c2)cc1[N+](=O)[O-] ZINC000438396067 863845212 /nfs/dbraw/zinc/84/52/12/863845212.db2.gz STWMJDINNIBINI-UHFFFAOYSA-N 0 0 406.529 4.016 20 5 HIBDRN CSCc1cccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 ZINC000438401136 863848749 /nfs/dbraw/zinc/84/87/49/863848749.db2.gz QHTSHRMFLYCJHH-UHFFFAOYSA-N 0 0 424.526 4.249 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000438481149 863897406 /nfs/dbraw/zinc/89/74/06/863897406.db2.gz CMOQPGHARLVGIM-CYBMUJFWSA-N 0 0 423.429 4.317 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NC3CCC4(CCOCC4)CC3)cc2[N+](=O)[O-])C1 ZINC000438508249 863932598 /nfs/dbraw/zinc/93/25/98/863932598.db2.gz LRVWSUGEYWEMRJ-QGZVFWFLSA-N 0 0 415.534 4.300 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000438520663 863946360 /nfs/dbraw/zinc/94/63/60/863946360.db2.gz XCFSQJDDFDUXRS-TZMCWYRMSA-N 0 0 420.453 4.322 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2C(=O)CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000438530314 863955387 /nfs/dbraw/zinc/95/53/87/863955387.db2.gz RRQJDYYLHAHMEE-HSZRJFAPSA-N 0 0 423.513 4.105 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000438545642 863973716 /nfs/dbraw/zinc/97/37/16/863973716.db2.gz BFCNDJFZVPMLHX-YJYMSZOUSA-N 0 0 404.850 4.077 20 5 HIBDRN O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467862031 881714781 /nfs/dbraw/zinc/71/47/81/881714781.db2.gz GNMHGDBWJXFKTC-UHFFFAOYSA-N 0 0 414.824 4.249 20 5 HIBDRN CCc1nc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])sc1C ZINC000438551569 863981158 /nfs/dbraw/zinc/98/11/58/863981158.db2.gz FHCFGJVBGKKZPL-HNNXBMFYSA-N 0 0 420.491 4.127 20 5 HIBDRN Cc1cc(C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)ccc1[N+](=O)[O-] ZINC000438644701 864082541 /nfs/dbraw/zinc/08/25/41/864082541.db2.gz WQAYLVLBVOVURD-INIZCTEOSA-N 0 0 405.248 4.262 20 5 HIBDRN CN(Cc1nc(-c2ccc(Oc3ccccc3)nc2)no1)c1ccccc1[N+](=O)[O-] ZINC000438733105 864218258 /nfs/dbraw/zinc/21/82/58/864218258.db2.gz OMPQYMJSFLQILH-UHFFFAOYSA-N 0 0 403.398 4.469 20 5 HIBDRN Cc1c(CC(=O)Nc2ccccc2CN(C)C(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000438834803 864329235 /nfs/dbraw/zinc/32/92/35/864329235.db2.gz UQGRZANWPZDYNT-UHFFFAOYSA-N 0 0 423.494 4.418 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cccc1[N+](=O)[O-] ZINC000438893494 864374800 /nfs/dbraw/zinc/37/48/00/864374800.db2.gz GIIBBMBVPRXPSX-UHFFFAOYSA-N 0 0 405.458 4.069 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000438895806 864377493 /nfs/dbraw/zinc/37/74/93/864377493.db2.gz PHFQTGLRQOFRGT-UHFFFAOYSA-N 0 0 403.866 4.220 20 5 HIBDRN Cc1c(CC(=O)NCc2ccccc2COCc2ccccc2)cccc1[N+](=O)[O-] ZINC000438904701 864383737 /nfs/dbraw/zinc/38/37/37/864383737.db2.gz VVYYBHKBCJWTAL-UHFFFAOYSA-N 0 0 404.466 4.479 20 5 HIBDRN CCN(Cc1cc(Br)ccc1F)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000438913340 864391624 /nfs/dbraw/zinc/39/16/24/864391624.db2.gz SFHYMPMSFYXSFK-UHFFFAOYSA-N 0 0 409.255 4.396 20 5 HIBDRN CCSc1nccnc1-c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000438930656 864409258 /nfs/dbraw/zinc/40/92/58/864409258.db2.gz KJOGYOOVDFNQQL-UHFFFAOYSA-N 0 0 415.478 4.155 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(F)cc1Br ZINC000438935916 864413591 /nfs/dbraw/zinc/41/35/91/864413591.db2.gz KTDUTTJMDHJPSG-UHFFFAOYSA-N 0 0 401.619 4.388 20 5 HIBDRN CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000438946734 864419280 /nfs/dbraw/zinc/41/92/80/864419280.db2.gz YKVJBAAMHLDWDW-UHFFFAOYSA-N 0 0 421.375 4.473 20 5 HIBDRN CC(C)c1ccc(C(=O)NCc2cccc(COC3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000438958264 864428906 /nfs/dbraw/zinc/42/89/06/864428906.db2.gz LIBDLEJKXPXBMT-UHFFFAOYSA-N 0 0 412.486 4.344 20 5 HIBDRN Cc1c(CC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000439041960 864495105 /nfs/dbraw/zinc/49/51/05/864495105.db2.gz MHBDDPHFXHVQHS-IYBDPMFKSA-N 0 0 409.486 4.203 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cccc1[N+](=O)[O-] ZINC000439051095 864501798 /nfs/dbraw/zinc/50/17/98/864501798.db2.gz OTALUYBRXMPOEB-UHFFFAOYSA-N 0 0 402.300 4.287 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(CS(=O)(=O)C(C)C)cc1 ZINC000439103141 864542191 /nfs/dbraw/zinc/54/21/91/864542191.db2.gz SMVRIMFSXRSXQA-UHFFFAOYSA-N 0 0 410.879 4.132 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000439106881 864544826 /nfs/dbraw/zinc/54/48/26/864544826.db2.gz JOZYPULSKDJMRH-MRXNPFEDSA-N 0 0 415.837 4.129 20 5 HIBDRN CC(C)c1ccc(C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)cc1[N+](=O)[O-] ZINC000439109430 864547635 /nfs/dbraw/zinc/54/76/35/864547635.db2.gz PFLKLGBVHMQDEE-GOSISDBHSA-N 0 0 409.446 4.290 20 5 HIBDRN CC(C)c1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000439111658 864548335 /nfs/dbraw/zinc/54/83/35/864548335.db2.gz XHNKIHRUEISPKJ-GOSISDBHSA-N 0 0 415.877 4.249 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC000439114843 864551634 /nfs/dbraw/zinc/55/16/34/864551634.db2.gz UTMREINPLUFPGA-UHFFFAOYSA-N 0 0 401.850 4.353 20 5 HIBDRN COC(=O)CSCc1cccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000439116239 864552573 /nfs/dbraw/zinc/55/25/73/864552573.db2.gz XDAKNIKHEZHISW-UHFFFAOYSA-N 0 0 408.863 4.215 20 5 HIBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000439124694 864559797 /nfs/dbraw/zinc/55/97/97/864559797.db2.gz QFSUMDOPSZRMBE-UHFFFAOYSA-N 0 0 406.486 4.215 20 5 HIBDRN C[C@H](Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-])c1cncs1 ZINC000439136249 864567640 /nfs/dbraw/zinc/56/76/40/864567640.db2.gz ZHZKKPUQSXKFFA-MOKVOYLWSA-N 0 0 424.548 4.081 20 5 HIBDRN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000439152170 864583634 /nfs/dbraw/zinc/58/36/34/864583634.db2.gz MCHHBJIZLBFPCM-QGZVFWFLSA-N 0 0 412.833 4.188 20 5 HIBDRN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000439157272 864589736 /nfs/dbraw/zinc/58/97/36/864589736.db2.gz XJTMYEBXXBMEBS-HXUWFJFHSA-N 0 0 406.442 4.349 20 5 HIBDRN CS(=O)(=O)c1cc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000439256458 864670899 /nfs/dbraw/zinc/67/08/99/864670899.db2.gz DOPJPVAWZQEZAV-UHFFFAOYSA-N 0 0 423.661 4.211 20 5 HIBDRN CN1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c2cc(F)ccc21 ZINC000439254810 864672049 /nfs/dbraw/zinc/67/20/49/864672049.db2.gz GCBHRZKQWSJLRX-UHFFFAOYSA-N 0 0 406.417 4.283 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000439262916 864680012 /nfs/dbraw/zinc/68/00/12/864680012.db2.gz WDDAKOUXEIUWAS-UHFFFAOYSA-N 0 0 411.801 4.334 20 5 HIBDRN Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)c3ccc([N+](=O)[O-])nc3)cc12 ZINC000439286922 864705473 /nfs/dbraw/zinc/70/54/73/864705473.db2.gz OHTQKNXRUHHSRN-UHFFFAOYSA-N 0 0 407.455 4.034 20 5 HIBDRN Cc1c(C(=O)Nc2ncc(C(F)(F)F)cc2Br)cccc1[N+](=O)[O-] ZINC000439287969 864709479 /nfs/dbraw/zinc/70/94/79/864709479.db2.gz YGTVBDMQKJVCGY-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439308864 864737569 /nfs/dbraw/zinc/73/75/69/864737569.db2.gz AIOUXRZGKRXENV-UHFFFAOYSA-N 0 0 423.400 4.199 20 5 HIBDRN O=C(Nc1cccc(CCCc2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439342676 864781687 /nfs/dbraw/zinc/78/16/87/864781687.db2.gz CMBYXHQJRCBISI-UHFFFAOYSA-N 0 0 403.438 4.347 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000467932487 881806164 /nfs/dbraw/zinc/80/61/64/881806164.db2.gz XKTNNBFXHYYNDM-IBGZPJMESA-N 0 0 423.473 4.045 20 5 HIBDRN CC[C@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCCO1 ZINC000439481605 864847494 /nfs/dbraw/zinc/84/74/94/864847494.db2.gz JXTAJZKIWJDJIK-PXNSSMCTSA-N 0 0 417.893 4.429 20 5 HIBDRN O=C(Nc1nc(-c2cccc(O)c2)cs1)c1ccc([N+](=O)[O-])cc1Br ZINC000439516289 864860117 /nfs/dbraw/zinc/86/01/17/864860117.db2.gz FOKADMFFAZGAPP-UHFFFAOYSA-N 0 0 420.244 4.439 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2F)C2CCCCC2)cc1[N+](=O)[O-] ZINC000439641500 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0 0 412.471 4.495 20 5 HIBDRN O=C(NCCOCC(F)(F)F)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441826639 866886892 /nfs/dbraw/zinc/88/68/92/866886892.db2.gz XPLDLGUTXHMQHP-UHFFFAOYSA-N 0 0 400.378 4.055 20 5 HIBDRN C[C@@H](COCC(F)(F)F)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441835803 866894094 /nfs/dbraw/zinc/89/40/94/866894094.db2.gz RMRNDQYBBBMONB-LBPRGKRZSA-N 0 0 414.405 4.443 20 5 HIBDRN CCC(C)(C)OCc1cccc(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000441842628 866900839 /nfs/dbraw/zinc/90/08/39/866900839.db2.gz UNUJYEIYELXJEU-UHFFFAOYSA-N 0 0 413.474 4.494 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000441857508 866923152 /nfs/dbraw/zinc/92/31/52/866923152.db2.gz HVSVKHNWTJSHHF-IBGZPJMESA-N 0 0 415.465 4.015 20 5 HIBDRN CCC[C@H]1CCc2nc(NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)sc2C1 ZINC000441954955 867019063 /nfs/dbraw/zinc/01/90/63/867019063.db2.gz ZWFOAHUFKTTXLO-ZDUSSCGKSA-N 0 0 418.523 4.022 20 5 HIBDRN C[C@@H](O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC000468184517 882059784 /nfs/dbraw/zinc/05/97/84/882059784.db2.gz VWVOYQBBVFWZCD-OCCSQVGLSA-N 0 0 406.891 4.242 20 5 HIBDRN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1sccc1Br ZINC000442216935 867238911 /nfs/dbraw/zinc/23/89/11/867238911.db2.gz HWENDAOSORYRTM-UHFFFAOYSA-N 0 0 405.295 4.024 20 5 HIBDRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000442232738 867266463 /nfs/dbraw/zinc/26/64/63/867266463.db2.gz BCNODGDOJWZBAQ-OAQYLSRUSA-N 0 0 421.501 4.384 20 5 HIBDRN CCOC(=O)C1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000442429032 867398774 /nfs/dbraw/zinc/39/87/74/867398774.db2.gz YVGQYERAAOAYRX-UHFFFAOYSA-N 0 0 414.483 4.161 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000442512880 867491504 /nfs/dbraw/zinc/49/15/04/867491504.db2.gz GGYKMTYXYRVUME-KRWDZBQOSA-N 0 0 409.486 4.167 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000468208292 882089197 /nfs/dbraw/zinc/08/91/97/882089197.db2.gz GBPWCOXDQVMNJP-YWZLYKJASA-N 0 0 421.501 4.372 20 5 HIBDRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442635509 867577275 /nfs/dbraw/zinc/57/72/75/867577275.db2.gz FQTLHCNNHFXLOG-WIYYLYMNSA-N 0 0 406.463 4.134 20 5 HIBDRN O=C(NC[C@@H](CO)c1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442677767 867611879 /nfs/dbraw/zinc/61/18/79/867611879.db2.gz MUUIVGHHKLTLEH-KRWDZBQOSA-N 0 0 408.479 4.252 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCOc2ccc(Br)cc21 ZINC000468218629 882102181 /nfs/dbraw/zinc/10/21/81/882102181.db2.gz NPIXOECDDLAPAJ-UHFFFAOYSA-N 0 0 403.188 4.143 20 5 HIBDRN CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442879743 867712789 /nfs/dbraw/zinc/71/27/89/867712789.db2.gz CAQXQQHJAAMXEU-QAPCUYQASA-N 0 0 400.500 4.369 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1O ZINC000442926366 867743572 /nfs/dbraw/zinc/74/35/72/867743572.db2.gz VSSZLVFBNKUPEU-VIFPVBQESA-N 0 0 402.350 4.318 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000468232577 882125567 /nfs/dbraw/zinc/12/55/67/882125567.db2.gz ZZNHTCRPZOAVMF-SFHVURJKSA-N 0 0 417.897 4.437 20 5 HIBDRN C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Br)s1 ZINC000443330812 867908769 /nfs/dbraw/zinc/90/87/69/867908769.db2.gz CXQSSPFWKZMUIM-SECBINFHSA-N 0 0 409.265 4.320 20 5 HIBDRN CCOc1ccc([C@@H](NCc2c([N+](=O)[O-])ncn2C)c2cccc(Cl)c2)cc1 ZINC000443456316 868045189 /nfs/dbraw/zinc/04/51/89/868045189.db2.gz UFKYYRKPZUFRJZ-LJQANCHMSA-N 0 0 400.866 4.260 20 5 HIBDRN C[C@H](Cn1cc(Br)cc([N+](=O)[O-])c1=O)c1ccc(C(F)(F)F)cc1 ZINC000443474499 868060454 /nfs/dbraw/zinc/06/04/54/868060454.db2.gz JMPKZDFACLAYER-SECBINFHSA-N 0 0 405.170 4.342 20 5 HIBDRN CCc1ccc([C@H](Nc2ncc([N+](=O)[O-])s2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000443505768 868072819 /nfs/dbraw/zinc/07/28/19/868072819.db2.gz BZHQEQMOJUMDLK-SFHVURJKSA-N 0 0 417.512 4.219 20 5 HIBDRN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000443559041 868114663 /nfs/dbraw/zinc/11/46/63/868114663.db2.gz MZEOSLWIPXZDOD-UHFFFAOYSA-N 0 0 408.235 4.053 20 5 HIBDRN Cc1c(NC(=O)[C@H](C)N2CC[C@@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443657738 868258619 /nfs/dbraw/zinc/25/86/19/868258619.db2.gz UPEGVGKHFPQLOV-LSDHHAIUSA-N 0 0 403.866 4.037 20 5 HIBDRN Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)cs1 ZINC000443687505 868290503 /nfs/dbraw/zinc/29/05/03/868290503.db2.gz XJMNLEBJDDDNBE-ZDUSSCGKSA-N 0 0 417.512 4.207 20 5 HIBDRN CCOc1ccccc1[C@H](CC(C)C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443752071 868323989 /nfs/dbraw/zinc/32/39/89/868323989.db2.gz BXCYKXIYQPBGDK-IBGZPJMESA-N 0 0 406.504 4.200 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000468262603 882177815 /nfs/dbraw/zinc/17/78/15/882177815.db2.gz QZSKULGSCJWNOY-HNAYVOBHSA-N 0 0 421.453 4.131 20 5 HIBDRN CCOC(=O)c1ccccc1N(CC)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443881138 868416437 /nfs/dbraw/zinc/41/64/37/868416437.db2.gz IWNPMEAOUMTOPS-UHFFFAOYSA-N 0 0 410.348 4.457 20 5 HIBDRN C[C@@H]1CN(c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000443885472 868422572 /nfs/dbraw/zinc/42/25/72/868422572.db2.gz ZDOHOQVZDJXOHD-BETUJISGSA-N 0 0 423.391 4.480 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(Br)c1 ZINC000443887717 868424650 /nfs/dbraw/zinc/42/46/50/868424650.db2.gz IDIBZWJWVPJFHI-JTQLQIEISA-N 0 0 421.226 4.417 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)n2)cc1 ZINC000443890580 868428182 /nfs/dbraw/zinc/42/81/82/868428182.db2.gz VTWHKMUWSWEPTJ-CYBMUJFWSA-N 0 0 409.377 4.309 20 5 HIBDRN O=C(Cc1cc(F)ccc1F)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 ZINC000443895765 868432606 /nfs/dbraw/zinc/43/26/06/868432606.db2.gz GQVAPCACEJQXGF-UHFFFAOYSA-N 0 0 424.363 4.500 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC000443902218 868439405 /nfs/dbraw/zinc/43/94/05/868439405.db2.gz RJTZTQKXJRQAKV-UHFFFAOYSA-N 0 0 417.181 4.495 20 5 HIBDRN COc1ccc(-c2ncc(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000443911622 868446916 /nfs/dbraw/zinc/44/69/16/868446916.db2.gz VKSASNVFJTXPFP-UHFFFAOYSA-N 0 0 421.438 4.165 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000443946783 868483905 /nfs/dbraw/zinc/48/39/05/868483905.db2.gz MCFGIDLFUBZLAP-UHFFFAOYSA-N 0 0 422.235 4.025 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000443948217 868485550 /nfs/dbraw/zinc/48/55/50/868485550.db2.gz QHPCWFYLEMQBRU-KRWDZBQOSA-N 0 0 416.865 4.134 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCc1cc(Br)ccc1F ZINC000443949941 868485585 /nfs/dbraw/zinc/48/55/85/868485585.db2.gz UHTFBKXPMLWHSW-UHFFFAOYSA-N 0 0 410.243 4.477 20 5 HIBDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000443953303 868489827 /nfs/dbraw/zinc/48/98/27/868489827.db2.gz SINKDDMKYXILKU-UHFFFAOYSA-N 0 0 411.506 4.377 20 5 HIBDRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000443954322 868490025 /nfs/dbraw/zinc/49/00/25/868490025.db2.gz AGIIVTLUPYLYOC-QGZVFWFLSA-N 0 0 402.878 4.421 20 5 HIBDRN CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444006782 868528381 /nfs/dbraw/zinc/52/83/81/868528381.db2.gz BHUWSIBAWMVIOG-INIZCTEOSA-N 0 0 414.452 4.381 20 5 HIBDRN CN(CCN(C)c1ccccc1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444006777 868528586 /nfs/dbraw/zinc/52/85/86/868528586.db2.gz CZQQQYATKUSLIL-UHFFFAOYSA-N 0 0 421.447 4.168 20 5 HIBDRN COc1cccc(C[C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444012138 868534257 /nfs/dbraw/zinc/53/42/57/868534257.db2.gz UQAJDWLQQYEQQZ-CYBMUJFWSA-N 0 0 422.431 4.329 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000444019777 868543939 /nfs/dbraw/zinc/54/39/39/868543939.db2.gz YDUPZQLJZYDYHE-SCLBCKFNSA-N 0 0 424.375 4.138 20 5 HIBDRN CCOc1cc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)ccc1OC ZINC000444019669 868543993 /nfs/dbraw/zinc/54/39/93/868543993.db2.gz IPICJXCGUORYKG-UHFFFAOYSA-N 0 0 420.440 4.158 20 5 HIBDRN COc1cccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1[N+](=O)[O-] ZINC000444036246 868572094 /nfs/dbraw/zinc/57/20/94/868572094.db2.gz SEUYIUACGRQUOK-UHFFFAOYSA-N 0 0 415.833 4.418 20 5 HIBDRN O=C(Nc1cc(C2CCCC2)[nH]n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444041304 868580248 /nfs/dbraw/zinc/58/02/48/868580248.db2.gz ZCTRIUOTRSMOJG-UHFFFAOYSA-N 0 0 408.408 4.593 20 5 HIBDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000444049307 868587352 /nfs/dbraw/zinc/58/73/52/868587352.db2.gz LKEVMMSQZAADPY-UHFFFAOYSA-N 0 0 414.462 4.253 20 5 HIBDRN O=C(NCc1coc(-c2ccccc2)n1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444082126 868607211 /nfs/dbraw/zinc/60/72/11/868607211.db2.gz MHQAUPRMKJUFBT-UHFFFAOYSA-N 0 0 413.408 4.405 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000444087351 868610012 /nfs/dbraw/zinc/61/00/12/868610012.db2.gz ZNKJCWAYJNNFPQ-LJQANCHMSA-N 0 0 412.489 4.360 20 5 HIBDRN COc1cccc(C(=O)c2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc2)c1 ZINC000444087540 868610055 /nfs/dbraw/zinc/61/00/55/868610055.db2.gz QWDIWJNGTSOZHE-UHFFFAOYSA-N 0 0 402.406 4.037 20 5 HIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444087094 868610066 /nfs/dbraw/zinc/61/00/66/868610066.db2.gz QGDRCRXLMODIQL-INIZCTEOSA-N 0 0 400.478 4.393 20 5 HIBDRN CC(C)(C)c1cnc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)o1 ZINC000444093964 868612785 /nfs/dbraw/zinc/61/27/85/868612785.db2.gz CNPZAJXIHSVGSF-UHFFFAOYSA-N 0 0 411.408 4.175 20 5 HIBDRN CCn1cc(C2CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CC2)cn1 ZINC000444096415 868614471 /nfs/dbraw/zinc/61/44/71/868614471.db2.gz OXDBSSUMMAKKQJ-UHFFFAOYSA-N 0 0 418.472 4.057 20 5 HIBDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444097939 868615650 /nfs/dbraw/zinc/61/56/50/868615650.db2.gz DNQCWJUQSSZXCT-DHMKHTPVSA-N 0 0 418.518 4.252 20 5 HIBDRN CC[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Oc1ccccc1F ZINC000444100159 868617293 /nfs/dbraw/zinc/61/72/93/868617293.db2.gz FVIJHKQMCFMUJD-INIZCTEOSA-N 0 0 404.441 4.408 20 5 HIBDRN CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444104574 868619975 /nfs/dbraw/zinc/61/99/75/868619975.db2.gz WNIIBQBXJGCXCQ-ROUUACIJSA-N 0 0 402.466 4.364 20 5 HIBDRN O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444124716 868630979 /nfs/dbraw/zinc/63/09/79/868630979.db2.gz FARUWJVAISVBIU-UHFFFAOYSA-N 0 0 416.452 4.256 20 5 HIBDRN COc1cccc(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] ZINC000444140050 868636621 /nfs/dbraw/zinc/63/66/21/868636621.db2.gz LUIYUNOLNPYEOU-UHFFFAOYSA-N 0 0 420.425 4.177 20 5 HIBDRN C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc(Cc2ccccc2)no1 ZINC000444185381 868655166 /nfs/dbraw/zinc/65/51/66/868655166.db2.gz PZJSLOSMQTYMNT-HNNXBMFYSA-N 0 0 424.460 4.146 20 5 HIBDRN COc1cccc2c1CC[C@H]2NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444219212 868671813 /nfs/dbraw/zinc/67/18/13/868671813.db2.gz AFJWABYVCHMODN-LJQANCHMSA-N 0 0 420.415 4.385 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] ZINC000444223966 868674852 /nfs/dbraw/zinc/67/48/52/868674852.db2.gz OHROTPULLBVMGT-UHFFFAOYSA-N 0 0 413.821 4.038 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000444237887 868687327 /nfs/dbraw/zinc/68/73/27/868687327.db2.gz FDZOLIQAFSHBJV-HXUWFJFHSA-N 0 0 412.489 4.155 20 5 HIBDRN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444241697 868690565 /nfs/dbraw/zinc/69/05/65/868690565.db2.gz OHTMPDWBKGQYCN-ZLUZWTFRSA-N 0 0 424.447 4.037 20 5 HIBDRN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444242521 868690573 /nfs/dbraw/zinc/69/05/73/868690573.db2.gz UBRUPJSDQRGFGV-RNODOKPDSA-N 0 0 414.452 4.021 20 5 HIBDRN CCO[C@H]1C[C@H](N(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C12CCC2 ZINC000444245517 868693470 /nfs/dbraw/zinc/69/34/70/868693470.db2.gz XMKBGUYMXGCIRB-OALUTQOASA-N 0 0 408.473 4.240 20 5 HIBDRN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444248186 868695374 /nfs/dbraw/zinc/69/53/74/868695374.db2.gz HBTMUWDGGXLZLX-IBGZPJMESA-N 0 0 400.478 4.095 20 5 HIBDRN C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[C@@H]1COc2ccccc21 ZINC000444248877 868696804 /nfs/dbraw/zinc/69/68/04/868696804.db2.gz WOUKZFVVFJSJJM-SGTLLEGYSA-N 0 0 420.415 4.254 20 5 HIBDRN CCc1n[nH]c(C(=O)N(CC)[C@H](c2ccc(Cl)cc2)c2cccnc2)c1[N+](=O)[O-] ZINC000444271061 868707764 /nfs/dbraw/zinc/70/77/64/868707764.db2.gz TZAVHSMAXOCMBU-GOSISDBHSA-N 0 0 413.865 4.180 20 5 HIBDRN CN1CCc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc21 ZINC000444284086 868713278 /nfs/dbraw/zinc/71/32/78/868713278.db2.gz FXKGGARMNYIUTM-UHFFFAOYSA-N 0 0 405.404 4.204 20 5 HIBDRN CC[C@H](C)n1nc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1C ZINC000444286396 868715387 /nfs/dbraw/zinc/71/53/87/868715387.db2.gz ILBBBSDZHRVYLR-NSHDSACASA-N 0 0 410.424 4.688 20 5 HIBDRN CC1(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)Cc2ccccc2C1 ZINC000444288584 868717423 /nfs/dbraw/zinc/71/74/23/868717423.db2.gz LPRIWJFDICYUSD-UHFFFAOYSA-N 0 0 400.453 4.355 20 5 HIBDRN CC(C)(C)[C@@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCO1 ZINC000444287894 868717808 /nfs/dbraw/zinc/71/78/08/868717808.db2.gz KFPMJUKUVIYQIM-ACJLOTCBSA-N 0 0 414.452 4.283 20 5 HIBDRN Cc1cc(C2CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CC2)[nH]n1 ZINC000444296912 868726797 /nfs/dbraw/zinc/72/67/97/868726797.db2.gz ZHLXYWIRPTVKLE-UHFFFAOYSA-N 0 0 422.435 4.011 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444295670 868726845 /nfs/dbraw/zinc/72/68/45/868726845.db2.gz SXSVKEKZFCVLMI-QKFKETGDSA-N 0 0 404.441 4.326 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H](COc2ccccc2)C1 ZINC000444301828 868732262 /nfs/dbraw/zinc/73/22/62/868732262.db2.gz HBHYPTNNRZAEOS-INIZCTEOSA-N 0 0 416.452 4.362 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000444330263 868757324 /nfs/dbraw/zinc/75/73/24/868757324.db2.gz RIIPXJVRDQZIBW-AREMUKBSSA-N 0 0 410.473 4.343 20 5 HIBDRN O=C(NCCC[C@@H]1CCCCO1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444330963 868757477 /nfs/dbraw/zinc/75/74/77/868757477.db2.gz ZDDQRBOZVKNUQO-HNNXBMFYSA-N 0 0 400.425 4.039 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444330516 868757626 /nfs/dbraw/zinc/75/76/26/868757626.db2.gz XVQVZOHZCWXTMQ-CQSZACIVSA-N 0 0 402.498 4.432 20 5 HIBDRN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444331013 868757706 /nfs/dbraw/zinc/75/77/06/868757706.db2.gz ZHVBMNGRZDGGFK-AWEZNQCLSA-N 0 0 424.472 4.014 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCSC[C@@H]1c1nccs1 ZINC000444333725 868760136 /nfs/dbraw/zinc/76/01/36/868760136.db2.gz BKAULWOGDIMJBN-GOSISDBHSA-N 0 0 407.520 4.068 20 5 HIBDRN COc1cccc(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)c1[N+](=O)[O-] ZINC000444336162 868765462 /nfs/dbraw/zinc/76/54/62/868765462.db2.gz AUIDUKJEXBIHMM-UHFFFAOYSA-N 0 0 415.496 4.295 20 5 HIBDRN CN(CC1(O)CCCCCC1)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444340950 868770254 /nfs/dbraw/zinc/77/02/54/868770254.db2.gz MELYVAAURLVAEP-UHFFFAOYSA-N 0 0 414.452 4.117 20 5 HIBDRN C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(Br)s1 ZINC000444373739 868797529 /nfs/dbraw/zinc/79/75/29/868797529.db2.gz LPVOFVVDZQMHDT-JTQLQIEISA-N 0 0 421.276 4.096 20 5 HIBDRN O=C(NCC1CCN(CC(F)(F)F)CC1)c1cc2ccccc2c2cccnc12 ZINC000444403692 868813234 /nfs/dbraw/zinc/81/32/34/868813234.db2.gz IWNQGNUBMZRICJ-UHFFFAOYSA-N 0 0 401.432 4.392 20 5 HIBDRN CC(C)(C)[C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc21 ZINC000444419695 868820456 /nfs/dbraw/zinc/82/04/56/868820456.db2.gz BCMHGCJSPCGQKZ-CQSZACIVSA-N 0 0 415.877 4.155 20 5 HIBDRN O=C(NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc2ccccc2c2cccnc12 ZINC000444440535 868829070 /nfs/dbraw/zinc/82/90/70/868829070.db2.gz KIQTXMCKYNAFJX-HNNXBMFYSA-N 0 0 424.422 4.386 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000444474874 868844371 /nfs/dbraw/zinc/84/43/71/868844371.db2.gz DTCGPMQQUSDVMA-UGSOOPFHSA-N 0 0 402.413 4.106 20 5 HIBDRN CC(C)(C)c1cccc2c1OCCN2C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000444475774 868845574 /nfs/dbraw/zinc/84/55/74/868845574.db2.gz GDBPCJAZOLKZTA-UHFFFAOYSA-N 0 0 406.442 4.117 20 5 HIBDRN CC(C)(C)c1cccc2c1OCCN2C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000444479007 868847288 /nfs/dbraw/zinc/84/72/88/868847288.db2.gz LTWJSUALWMCCMY-UHFFFAOYSA-N 0 0 406.442 4.117 20 5 HIBDRN COc1cc(C(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000468309391 882235327 /nfs/dbraw/zinc/23/53/27/882235327.db2.gz VXDXXNRHCCHSAP-NSHDSACASA-N 0 0 412.364 4.164 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000444512924 868864613 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406.891 4.242 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444604300 868899664 /nfs/dbraw/zinc/89/96/64/868899664.db2.gz AKHRDZZADPEHAA-UHFFFAOYSA-N 0 0 422.403 4.071 20 5 HIBDRN Cc1ccccc1-n1ncc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C(C)C ZINC000444634885 868923465 /nfs/dbraw/zinc/92/34/65/868923465.db2.gz JKBFNSFGBLXBIG-UHFFFAOYSA-N 0 0 418.457 4.019 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000444635240 868923605 /nfs/dbraw/zinc/92/36/05/868923605.db2.gz KBRGNDBIYCXEBI-UHFFFAOYSA-N 0 0 404.213 4.189 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000444641160 868927013 /nfs/dbraw/zinc/92/70/13/868927013.db2.gz FOZWJQKJNAGJJJ-UHFFFAOYSA-N 0 0 423.816 4.242 20 5 HIBDRN O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444646206 868929032 /nfs/dbraw/zinc/92/90/32/868929032.db2.gz BBBBBLAJHVJFEE-UHFFFAOYSA-N 0 0 414.396 4.168 20 5 HIBDRN CCc1nc2ccccc2n1C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444673251 868949566 /nfs/dbraw/zinc/94/95/66/868949566.db2.gz HJLJHMFIQXXWJJ-UHFFFAOYSA-N 0 0 404.474 4.220 20 5 HIBDRN Cc1c(NC(=O)CCN2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000444699796 868964290 /nfs/dbraw/zinc/96/42/90/868964290.db2.gz FCBFWJWYIFMSRA-VLIAUNLRSA-N 0 0 417.893 4.347 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000444726651 868980335 /nfs/dbraw/zinc/98/03/35/868980335.db2.gz OWDIYKGPNHOBCR-UHFFFAOYSA-N 0 0 411.439 4.359 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000444733548 868981925 /nfs/dbraw/zinc/98/19/25/868981925.db2.gz LEAXZIIYUDAWQP-UHFFFAOYSA-N 0 0 401.426 4.257 20 5 HIBDRN O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444744628 868984301 /nfs/dbraw/zinc/98/43/01/868984301.db2.gz QEODBAIZRFLJGY-UHFFFAOYSA-N 0 0 416.387 4.602 20 5 HIBDRN C[C@H](CNc1ccccc1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444743043 868984345 /nfs/dbraw/zinc/98/43/45/868984345.db2.gz KLOFCEXJGGXCGT-CYBMUJFWSA-N 0 0 407.420 4.190 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000444795347 869010225 /nfs/dbraw/zinc/01/02/25/869010225.db2.gz MGPCMUIOVGGGBT-LJQANCHMSA-N 0 0 408.907 4.249 20 5 HIBDRN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000444827739 869036371 /nfs/dbraw/zinc/03/63/71/869036371.db2.gz JZJALKYWYKBJRH-UHFFFAOYSA-N 0 0 420.472 4.487 20 5 HIBDRN O=C(Nc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1)NC1CC1 ZINC000444856692 869058131 /nfs/dbraw/zinc/05/81/31/869058131.db2.gz ZOXMOLMCMVGWJY-UHFFFAOYSA-N 0 0 412.449 4.218 20 5 HIBDRN CN(Cc1ccc(Br)o1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444858444 869060522 /nfs/dbraw/zinc/06/05/22/869060522.db2.gz MTQNCOLDKBNUNV-UHFFFAOYSA-N 0 0 411.255 4.309 20 5 HIBDRN C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000444886361 869077169 /nfs/dbraw/zinc/07/71/69/869077169.db2.gz 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O=C(NCc1nnc(-c2ccccc2)s1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444998685 869152857 /nfs/dbraw/zinc/15/28/57/869152857.db2.gz SKKMYFIUNNVXBL-UHFFFAOYSA-N 0 0 412.474 4.130 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445132831 869235015 /nfs/dbraw/zinc/23/50/15/869235015.db2.gz HPFOFGFJPXMCJQ-QKFKETGDSA-N 0 0 404.441 4.326 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445155708 869247263 /nfs/dbraw/zinc/24/72/63/869247263.db2.gz DOPUISBOQMRJIU-UHFFFAOYSA-N 0 0 408.461 4.105 20 5 HIBDRN CCn1c2ccc(F)cc2nc1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445161017 869250794 /nfs/dbraw/zinc/25/07/94/869250794.db2.gz QRCSMPBMZIHHSR-UHFFFAOYSA-N 0 0 400.413 4.442 20 5 HIBDRN O=C(Nc1ccc(OC2CCCC2)nc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000445170434 869256594 /nfs/dbraw/zinc/25/65/94/869256594.db2.gz CETHORZYQWOETD-UHFFFAOYSA-N 0 0 412.265 4.388 20 5 HIBDRN O=C(NCCOc1cccc2ccccc21)c1sc(Br)cc1[N+](=O)[O-] ZINC000445178978 869262532 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417.425 4.372 20 5 HIBDRN O=C(Nc1ccccc1Br)c1sc(Br)cc1[N+](=O)[O-] ZINC000445254413 869308879 /nfs/dbraw/zinc/30/88/79/869308879.db2.gz PUROITWAIYGCRC-UHFFFAOYSA-N 0 0 406.055 4.434 20 5 HIBDRN C/C(=C\c1nc(CC(=O)Nc2cccc3ncccc32)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445287011 869337419 /nfs/dbraw/zinc/33/74/19/869337419.db2.gz STVPGMCBDBHMJT-WYMLVPIESA-N 0 0 415.409 4.268 20 5 HIBDRN COc1cccc(NC(=O)Cc2noc([C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000445287780 869338563 /nfs/dbraw/zinc/33/85/63/869338563.db2.gz ZRHNUDDEQGLRFE-LBPRGKRZSA-N 0 0 414.443 4.021 20 5 HIBDRN C[C@@H](NC(=O)N(C)CCOc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000468350133 882288644 /nfs/dbraw/zinc/28/86/44/882288644.db2.gz DCXMLCGDSXCQNJ-CYBMUJFWSA-N 0 0 411.380 4.395 20 5 HIBDRN Cc1cc(C)c(NC(=O)Cc2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)c(C)c1 ZINC000445334276 869396188 /nfs/dbraw/zinc/39/61/88/869396188.db2.gz XBRVBLRGJIXBKG-UHFFFAOYSA-N 0 0 419.441 4.087 20 5 HIBDRN CCc1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3C)no2)cc1[N+](=O)[O-] ZINC000445339899 869402982 /nfs/dbraw/zinc/40/29/82/869402982.db2.gz GZISAUMHAQGYRK-UHFFFAOYSA-N 0 0 400.822 4.350 20 5 HIBDRN Cc1cc(C)c(NC(=O)Cc2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)c(C)c1 ZINC000445343945 869408325 /nfs/dbraw/zinc/40/83/25/869408325.db2.gz NZDUCDKNSOEIKV-ALCCZGGFSA-N 0 0 410.405 4.394 20 5 HIBDRN Cc1c(-c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)cccc1[N+](=O)[O-] ZINC000445366406 869435164 /nfs/dbraw/zinc/43/51/64/869435164.db2.gz MKBPNBROGDFFHB-UHFFFAOYSA-N 0 0 407.213 4.441 20 5 HIBDRN O=C(Cc1noc(/C=C\c2ccc(F)cc2[N+](=O)[O-])n1)Nc1ccc(F)c(Cl)c1 ZINC000445366627 869435192 /nfs/dbraw/zinc/43/51/92/869435192.db2.gz FTWVTJJGZJUUCN-KXFIGUGUSA-N 0 0 420.759 4.261 20 5 HIBDRN O=C(Cc1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc32)n1)Nc1ccc(F)c(Cl)c1 ZINC000445372349 869446716 /nfs/dbraw/zinc/44/67/16/869446716.db2.gz QZGYIHLERHPRNJ-UHFFFAOYSA-N 0 0 415.768 4.100 20 5 HIBDRN COc1cc(-c2nc(CC(=O)Nc3cc(Cl)cc(Cl)c3)no2)ccc1[N+](=O)[O-] ZINC000445374647 869451429 /nfs/dbraw/zinc/45/14/29/869451429.db2.gz LHNNSQNWSAFLDZ-UHFFFAOYSA-N 0 0 423.212 4.141 20 5 HIBDRN CCOc1cc(-c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc(Cl)c1O ZINC000445410879 869494508 /nfs/dbraw/zinc/49/45/08/869494508.db2.gz KJIZVRPEXMBYEQ-UHFFFAOYSA-N 0 0 414.805 4.475 20 5 HIBDRN Cc1c(Cc2nc(CC(=O)Nc3ccccc3C(F)(F)F)no2)cccc1[N+](=O)[O-] ZINC000445416218 869498139 /nfs/dbraw/zinc/49/81/39/869498139.db2.gz HHXLHUIUCGOFEE-UHFFFAOYSA-N 0 0 420.347 4.077 20 5 HIBDRN O=C1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)CN1c1ccc(Cl)c(F)c1 ZINC000445475152 869547896 /nfs/dbraw/zinc/54/78/96/869547896.db2.gz ZXHOXVPBFIYMGO-MRVPVSSYSA-N 0 0 408.798 4.019 20 5 HIBDRN O=C(NCc1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)cc1)c1cccs1 ZINC000445477743 869550029 /nfs/dbraw/zinc/55/00/29/869550029.db2.gz ADOOWVJECRNPLN-UHFFFAOYSA-N 0 0 412.452 4.365 20 5 HIBDRN O=C(CCC(=O)c1cc(Cl)sc1Cl)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000445517792 869579633 /nfs/dbraw/zinc/57/96/33/869579633.db2.gz HJZKUUJQFJYJKY-UHFFFAOYSA-N 0 0 416.286 4.154 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(OCC(F)(F)F)cc3)n2)c1 ZINC000445571466 869630620 /nfs/dbraw/zinc/63/06/20/869630620.db2.gz NLZKZPVKJBZNCU-UHFFFAOYSA-N 0 0 409.320 4.185 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)n1 ZINC000445574636 869634981 /nfs/dbraw/zinc/63/49/81/869634981.db2.gz NPVGUDGNJJJSGN-UHFFFAOYSA-N 0 0 423.433 4.048 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(-c4ccc5cc[nH]c5n4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000445577017 869636188 /nfs/dbraw/zinc/63/61/88/869636188.db2.gz YOXPIRBHUOVZOF-UHFFFAOYSA-N 0 0 415.413 4.050 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(COc3cccc(C(F)(F)F)c3)n2)c1 ZINC000445577419 869636582 /nfs/dbraw/zinc/63/65/82/869636582.db2.gz QMUXEZYOVQEXBK-UHFFFAOYSA-N 0 0 409.320 4.175 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(CC(Cc2ccccc2)Cc2ccccc2)n1 ZINC000445578360 869638515 /nfs/dbraw/zinc/63/85/15/869638515.db2.gz FIKWUTQSWYBIMC-UHFFFAOYSA-N 0 0 403.442 4.022 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(Cc3cc(F)ccc3Br)n2)c1 ZINC000445583910 869643863 /nfs/dbraw/zinc/64/38/63/869643863.db2.gz PIKFTPCRMUMMEJ-UHFFFAOYSA-N 0 0 422.210 4.070 20 5 HIBDRN CCCCCc1ccc(C(=O)CCc2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc1 ZINC000445611140 869674129 /nfs/dbraw/zinc/67/41/29/869674129.db2.gz BMCYENORIMPUBG-UHFFFAOYSA-N 0 0 411.462 4.235 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(C4CC4)nc4c(C)cc(C)cc34)n2)n1C ZINC000445616460 869679607 /nfs/dbraw/zinc/67/96/07/869679607.db2.gz PPINZXGXOUTHJH-UHFFFAOYSA-N 0 0 404.430 4.396 20 5 HIBDRN Cc1nc2sccn2c1-c1noc(-c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000445623236 869687956 /nfs/dbraw/zinc/68/79/56/869687956.db2.gz FONIVDWMZNNWGZ-UHFFFAOYSA-N 0 0 420.248 4.400 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCSc2ccccc21 ZINC000445651308 869722272 /nfs/dbraw/zinc/72/22/72/869722272.db2.gz RZVYHIBFHBHICJ-OAHLLOKOSA-N 0 0 407.289 4.253 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccccc1C(F)(F)F ZINC000445690095 869759750 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4.063 20 5 HIBDRN C[C@H](OCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000445772911 869815367 /nfs/dbraw/zinc/81/53/67/869815367.db2.gz IUCGQODTQASEAZ-AWEZNQCLSA-N 0 0 421.291 4.184 20 5 HIBDRN CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc2ccccc2[nH]1 ZINC000445780081 869819922 /nfs/dbraw/zinc/81/99/22/869819922.db2.gz GVLAPJWSGLTAGY-AWEZNQCLSA-N 0 0 417.263 4.044 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000445792704 869827151 /nfs/dbraw/zinc/82/71/51/869827151.db2.gz ZCNHNPXVQQKIRF-AEFFLSMTSA-N 0 0 403.276 4.352 20 5 HIBDRN COc1cc(Cc2noc(Cc3ccc(C)cc3Cl)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445814934 869837525 /nfs/dbraw/zinc/83/75/25/869837525.db2.gz DXWDMQYORRMRBU-UHFFFAOYSA-N 0 0 403.822 4.138 20 5 HIBDRN COc1cc(Cc2noc(-c3cc(-c4ccc(C)cc4)no3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445819476 869841329 /nfs/dbraw/zinc/84/13/29/869841329.db2.gz PHJYUOBJNXKPCL-UHFFFAOYSA-N 0 0 422.397 4.216 20 5 HIBDRN COc1cc(Cc2noc(C3(c4cc(C)cc(C)c4)CC3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445820681 869842838 /nfs/dbraw/zinc/84/28/38/869842838.db2.gz VOZYDVYWBCDYFR-UHFFFAOYSA-N 0 0 409.442 4.283 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC000445824715 869846819 /nfs/dbraw/zinc/84/68/19/869846819.db2.gz OCGMZGCXGOYECN-UHFFFAOYSA-N 0 0 421.428 4.486 20 5 HIBDRN Cc1ccc(OCCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000445833229 869851475 /nfs/dbraw/zinc/85/14/75/869851475.db2.gz OLROQOZRPYFKCU-UHFFFAOYSA-N 0 0 421.291 4.184 20 5 HIBDRN CSCc1cccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000445838206 869853614 /nfs/dbraw/zinc/85/36/14/869853614.db2.gz UHJKLWOQUVLMIK-UHFFFAOYSA-N 0 0 415.515 4.211 20 5 HIBDRN O=C(CCC(=O)c1cc(Cl)sc1Cl)NCCc1ccc([N+](=O)[O-])cc1 ZINC000445995958 869959933 /nfs/dbraw/zinc/95/99/33/869959933.db2.gz VTNYTHKXUAZVKG-UHFFFAOYSA-N 0 0 401.271 4.285 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])c2)no1 ZINC000446019898 869986353 /nfs/dbraw/zinc/98/63/53/869986353.db2.gz LJKJNKZNGUKIPM-UHFFFAOYSA-N 0 0 409.221 4.030 20 5 HIBDRN O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000446034925 869998705 /nfs/dbraw/zinc/99/87/05/869998705.db2.gz HHQRHFXAAHKOEY-UHFFFAOYSA-N 0 0 412.339 4.436 20 5 HIBDRN Cc1cc(-c2ncccc2NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000446041426 870004038 /nfs/dbraw/zinc/00/40/38/870004038.db2.gz CQFFMXMAACZOJW-CQSZACIVSA-N 0 0 424.482 4.151 20 5 HIBDRN CC1(C)CN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC[C@@H]1O ZINC000446059612 870020990 /nfs/dbraw/zinc/02/09/90/870020990.db2.gz JKQGYXGVACXDCQ-RBUKOAKNSA-N 0 0 417.893 4.021 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000446077688 870027590 /nfs/dbraw/zinc/02/75/90/870027590.db2.gz CZKRXNCYIGOYHT-HNNXBMFYSA-N 0 0 410.405 4.112 20 5 HIBDRN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000446082201 870030715 /nfs/dbraw/zinc/03/07/15/870030715.db2.gz PALNVQAUJKKKMA-GXTWGEPZSA-N 0 0 411.277 4.069 20 5 HIBDRN CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1F ZINC000446133633 870078904 /nfs/dbraw/zinc/07/89/04/870078904.db2.gz ZWXHDPFKJGWNCD-UHFFFAOYSA-N 0 0 409.255 4.133 20 5 HIBDRN CCc1cccc2c1OCC[C@@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446158545 870099159 /nfs/dbraw/zinc/09/91/59/870099159.db2.gz RPTYCBJKCPKGEQ-KRWDZBQOSA-N 0 0 419.275 4.102 20 5 HIBDRN COc1cccc(C2(NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CCOCC2)c1F ZINC000446174098 870113420 /nfs/dbraw/zinc/11/34/20/870113420.db2.gz ASDGJCVOPRGLCQ-UHFFFAOYSA-N 0 0 417.437 4.187 20 5 HIBDRN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)Sc1ccccc1 ZINC000446258656 870199553 /nfs/dbraw/zinc/19/95/53/870199553.db2.gz OCECHNNUVPQOHW-GFCCVEGCSA-N 0 0 409.305 4.197 20 5 HIBDRN CCN1CC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000446303691 870228844 /nfs/dbraw/zinc/22/88/44/870228844.db2.gz WKLDVIPMTJTDOB-VQIMIIECSA-N 0 0 405.857 4.261 20 5 HIBDRN CC(=O)c1c(C)cccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000446314018 870236748 /nfs/dbraw/zinc/23/67/48/870236748.db2.gz UXZHPKWLVAIWRF-UHFFFAOYSA-N 0 0 406.442 4.220 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C)cc2OC(C)C)cc1SC ZINC000446402177 870303557 /nfs/dbraw/zinc/30/35/57/870303557.db2.gz FRWPNOUWXMLOEJ-UHFFFAOYSA-N 0 0 404.488 4.351 20 5 HIBDRN CCCOc1cc(C)ccc1CNC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000446406050 870310158 /nfs/dbraw/zinc/31/01/58/870310158.db2.gz PADHONSMYLQCFM-UHFFFAOYSA-N 0 0 402.447 4.029 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000446425287 870340085 /nfs/dbraw/zinc/34/00/85/870340085.db2.gz QJSSYNOKGPJGJQ-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000446426809 870342239 /nfs/dbraw/zinc/34/22/39/870342239.db2.gz VFWMSLJJJJWIKI-UHFFFAOYSA-N 0 0 406.442 4.141 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccccc2F)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000446427355 870342300 /nfs/dbraw/zinc/34/23/00/870342300.db2.gz DERFBUZXZNQVJX-FQEVSTJZSA-N 0 0 402.422 4.412 20 5 HIBDRN Cc1cc(Br)ccc1SCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446427945 870344313 /nfs/dbraw/zinc/34/43/13/870344313.db2.gz MKZZXMULJZDAIM-UHFFFAOYSA-N 0 0 421.316 4.343 20 5 HIBDRN CCc1noc(CC)c1CC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446427880 870344376 /nfs/dbraw/zinc/34/43/76/870344376.db2.gz LPUUGDLEPFIKIF-UHFFFAOYSA-N 0 0 409.442 4.468 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446429631 870346761 /nfs/dbraw/zinc/34/67/61/870346761.db2.gz MMZVVFXGJDBGSJ-ZWKOTPCHSA-N 0 0 401.260 4.046 20 5 HIBDRN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446441245 870359880 /nfs/dbraw/zinc/35/98/80/870359880.db2.gz UPOLZYSXAITIAB-UHFFFAOYSA-N 0 0 413.380 4.046 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000446487070 870400846 /nfs/dbraw/zinc/40/08/46/870400846.db2.gz YYMBXJREPUIXKW-CQSZACIVSA-N 0 0 419.279 4.066 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000446489598 870401995 /nfs/dbraw/zinc/40/19/95/870401995.db2.gz ARSLAAIHZBQFKM-UHFFFAOYSA-N 0 0 408.380 4.276 20 5 HIBDRN COc1ccc(Br)cc1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000446489502 870402360 /nfs/dbraw/zinc/40/23/60/870402360.db2.gz ZLCFIOFCXBHUDF-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000446495859 870411056 /nfs/dbraw/zinc/41/10/56/870411056.db2.gz QAGSFYSUYYVCAL-GFCCVEGCSA-N 0 0 408.252 4.255 20 5 HIBDRN CC(C)[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000446517796 870436070 /nfs/dbraw/zinc/43/60/70/870436070.db2.gz KRIICJRAZDQDMU-KRWDZBQOSA-N 0 0 409.486 4.010 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000468464258 882408660 /nfs/dbraw/zinc/40/86/60/882408660.db2.gz XQLPHRIUJFXWEV-ZDUSSCGKSA-N 0 0 416.524 4.031 20 5 HIBDRN O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000446608705 870512895 /nfs/dbraw/zinc/51/28/95/870512895.db2.gz FGMPQGMQKLSJQM-UHFFFAOYSA-N 0 0 422.466 4.176 20 5 HIBDRN O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000446613838 870515433 /nfs/dbraw/zinc/51/54/33/870515433.db2.gz HRROZQNEVBYOFY-UHFFFAOYSA-N 0 0 422.466 4.176 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)cc([N+](=O)[O-])c1 ZINC000446628018 870532382 /nfs/dbraw/zinc/53/23/82/870532382.db2.gz ILGKXWRWGQOWPH-OAQYLSRUSA-N 0 0 417.465 4.091 20 5 HIBDRN COc1ccc(CSCC(=O)N2C[C@@H](C)Sc3ccccc32)cc1[N+](=O)[O-] ZINC000446633560 870539591 /nfs/dbraw/zinc/53/95/91/870539591.db2.gz ZCYGSWAFLILKPF-CYBMUJFWSA-N 0 0 404.513 4.364 20 5 HIBDRN Cc1ccc([C@H](NC(=O)CN2CCc3ccc([N+](=O)[O-])cc3C2)c2cccs2)cc1 ZINC000446716393 870633133 /nfs/dbraw/zinc/63/31/33/870633133.db2.gz ILXGLOLRCZVILB-QHCPKHFHSA-N 0 0 421.522 4.229 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1nc(-c3ccc(Br)s3)no1)CC2 ZINC000446736381 870645178 /nfs/dbraw/zinc/64/51/78/870645178.db2.gz ORFFBHZFQQAYCQ-UHFFFAOYSA-N 0 0 421.276 4.027 20 5 HIBDRN CC(C)c1ccc(CN(C)[C@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000468474225 882430199 /nfs/dbraw/zinc/43/01/99/882430199.db2.gz FPVJMMCJGIHKBR-SFHVURJKSA-N 0 0 420.307 4.139 20 5 HIBDRN Cc1c(NC(=O)C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cccc1[N+](=O)[O-] ZINC000446790201 870708185 /nfs/dbraw/zinc/70/81/85/870708185.db2.gz NJAVPQMZVUMIAD-UHFFFAOYSA-N 0 0 423.400 4.199 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CNCc3cccc(OCc4ccccc4F)c3)nc2c1 ZINC000446828786 870744176 /nfs/dbraw/zinc/74/41/76/870744176.db2.gz ZDVKGBQWMOKDTK-UHFFFAOYSA-N 0 0 406.417 4.479 20 5 HIBDRN CCCOc1ccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000446833174 870749506 /nfs/dbraw/zinc/74/95/06/870749506.db2.gz RORUSYDZODJRBQ-UHFFFAOYSA-N 0 0 412.229 4.268 20 5 HIBDRN O=C(c1cc2cc(Br)ccc2[nH]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446879094 870799080 /nfs/dbraw/zinc/79/90/80/870799080.db2.gz JKGOXOMEOZRAPR-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446898237 870817273 /nfs/dbraw/zinc/81/72/73/870817273.db2.gz ANJPTNFKHBNEJF-YLJYHZDGSA-N 0 0 407.474 4.257 20 5 HIBDRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446900269 870818543 /nfs/dbraw/zinc/81/85/43/870818543.db2.gz NXGHKYGPDIHMQU-QGZVFWFLSA-N 0 0 409.490 4.332 20 5 HIBDRN COc1cc(-c2nnc(Sc3cc(C)ccc3[N+](=O)[O-])o2)cc(OC)c1OC ZINC000446901886 870820250 /nfs/dbraw/zinc/82/02/50/870820250.db2.gz GBRLEKXRIIEHOX-UHFFFAOYSA-N 0 0 403.416 4.130 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(CCc1ccccc1)C1CCCC1 ZINC000446903375 870821244 /nfs/dbraw/zinc/82/12/44/870821244.db2.gz YONAQKJGVWNFJM-UHFFFAOYSA-N 0 0 407.474 4.168 20 5 HIBDRN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446914012 870829924 /nfs/dbraw/zinc/82/99/24/870829924.db2.gz JRZRCSGFLUGXQG-YLJYHZDGSA-N 0 0 407.474 4.339 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)c(C(F)(F)F)c1 ZINC000446969809 870869054 /nfs/dbraw/zinc/86/90/54/870869054.db2.gz QOFMKOFKOWTXKR-LBPRGKRZSA-N 0 0 406.407 4.201 20 5 HIBDRN CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447013853 870892907 /nfs/dbraw/zinc/89/29/07/870892907.db2.gz AGXFWEPZRNEBEB-UHFFFAOYSA-N 0 0 422.812 4.478 20 5 HIBDRN Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000447039840 870916127 /nfs/dbraw/zinc/91/61/27/870916127.db2.gz JLSHIFWEAFFUHR-VIFPVBQESA-N 0 0 423.438 4.069 20 5 HIBDRN Cc1nc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000447278028 871171018 /nfs/dbraw/zinc/17/10/18/871171018.db2.gz MKMUXCBMOPVGMS-UHFFFAOYSA-N 0 0 414.849 4.330 20 5 HIBDRN Cc1c(Br)ccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1F ZINC000447497648 871374902 /nfs/dbraw/zinc/37/49/02/871374902.db2.gz ASHCQYWABZWMQA-UHFFFAOYSA-N 0 0 404.195 4.605 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCC2(SC)CC2)cc1[N+](=O)[O-] ZINC000447618992 871525758 /nfs/dbraw/zinc/52/57/58/871525758.db2.gz DORQRHRCTURLOL-UHFFFAOYSA-N 0 0 416.524 4.173 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Cl)cc1-c1ccccc1Cl ZINC000447626444 871534861 /nfs/dbraw/zinc/53/48/61/871534861.db2.gz KTXKUEUSCVGWKT-UHFFFAOYSA-N 0 0 418.236 4.369 20 5 HIBDRN CC1(C)CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCS1 ZINC000447642193 871565759 /nfs/dbraw/zinc/56/57/59/871565759.db2.gz WZVBDJLVORKTPJ-UHFFFAOYSA-N 0 0 402.466 4.317 20 5 HIBDRN C[C@@H](C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C)c1ccc([N+](=O)[O-])cc1F ZINC000447648934 871571112 /nfs/dbraw/zinc/57/11/12/871571112.db2.gz DWBOEQNKVJCRPB-SNVBAGLBSA-N 0 0 404.348 4.155 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000447651657 871577676 /nfs/dbraw/zinc/57/76/76/871577676.db2.gz HYIQSRSCDJJCQB-INIZCTEOSA-N 0 0 404.492 4.180 20 5 HIBDRN Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000447652815 871579921 /nfs/dbraw/zinc/57/99/21/871579921.db2.gz HYQZUUHICIDDAB-IBGZPJMESA-N 0 0 407.430 4.176 20 5 HIBDRN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000447654352 871583744 /nfs/dbraw/zinc/58/37/44/871583744.db2.gz XIBDMQDICBWNNS-UHFFFAOYSA-N 0 0 409.352 4.074 20 5 HIBDRN CN1C(=O)Cc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)ccc21 ZINC000447661210 871590108 /nfs/dbraw/zinc/59/01/08/871590108.db2.gz PHYMMCWSBJNHQU-UHFFFAOYSA-N 0 0 403.394 4.158 20 5 HIBDRN COc1cc(CCNC(=O)N2C[C@@H](C(C)C)c3ccccc32)c([N+](=O)[O-])cc1OC ZINC000447668423 871596506 /nfs/dbraw/zinc/59/65/06/871596506.db2.gz ZMXKRVGSKYRSJF-KRWDZBQOSA-N 0 0 413.474 4.124 20 5 HIBDRN CC(=O)Nc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1 ZINC000447666962 871597197 /nfs/dbraw/zinc/59/71/97/871597197.db2.gz CLUDKUYKVCQOFR-UHFFFAOYSA-N 0 0 404.295 4.214 20 5 HIBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000447668050 871597299 /nfs/dbraw/zinc/59/72/99/871597299.db2.gz AZABIDWECMFUSI-UHFFFAOYSA-N 0 0 422.407 4.166 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Oc1ccc(-c2nnco2)cc1 ZINC000447672997 871602415 /nfs/dbraw/zinc/60/24/15/871602415.db2.gz WDGBCVCQCQCYST-UHFFFAOYSA-N 0 0 402.235 4.486 20 5 HIBDRN Cn1c(Sc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])nnc1-c1ccco1 ZINC000447673431 871603882 /nfs/dbraw/zinc/60/38/82/871603882.db2.gz UGWRRQPXUHQQON-UHFFFAOYSA-N 0 0 421.307 4.184 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccc(-n2cccn2)cc1 ZINC000447673756 871606377 /nfs/dbraw/zinc/60/63/77/871606377.db2.gz ZTFUUXVAPJSEIS-UHFFFAOYSA-N 0 0 413.306 4.442 20 5 HIBDRN O=C(CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000447676797 871608140 /nfs/dbraw/zinc/60/81/40/871608140.db2.gz DEQYHFRMIFAHOZ-UHFFFAOYSA-N 0 0 424.713 4.348 20 5 HIBDRN CCCOc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cn1 ZINC000447677012 871608395 /nfs/dbraw/zinc/60/83/95/871608395.db2.gz SBBBLEXGJOJUMY-UHFFFAOYSA-N 0 0 406.311 4.440 20 5 HIBDRN Cc1cc(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])ccc1OCCO ZINC000447682733 871614132 /nfs/dbraw/zinc/61/41/32/871614132.db2.gz JJYNCYFWIMACRX-UHFFFAOYSA-N 0 0 407.295 4.067 20 5 HIBDRN 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CC(C)CCSc1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000468528322 882550015 /nfs/dbraw/zinc/55/00/15/882550015.db2.gz MDNMIUAFGAPISF-GCKMJXCFSA-N 0 0 422.547 4.142 20 5 HIBDRN O=[N+]([O-])c1cnn(CCSCc2csc(COc3ccc(Cl)cc3)n2)c1 ZINC000448062098 871888730 /nfs/dbraw/zinc/88/87/30/871888730.db2.gz ZUMZDVCMILJICT-UHFFFAOYSA-N 0 0 410.908 4.414 20 5 HIBDRN O=C(Nc1ccc(Br)c(Cl)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000448203049 872092821 /nfs/dbraw/zinc/09/28/21/872092821.db2.gz KSCJZSKMZNAJHY-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN CCC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000448300633 872234134 /nfs/dbraw/zinc/23/41/34/872234134.db2.gz CZXYNXMYIGHTFD-UHFFFAOYSA-N 0 0 403.866 4.191 20 5 HIBDRN C[C@@H]1OCC[C@@]12CN(Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000448369803 872320709 /nfs/dbraw/zinc/32/07/09/872320709.db2.gz CAYIIHRVEJIRMQ-ZMPRRUGASA-N 0 0 416.449 4.295 20 5 HIBDRN O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 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PBBSOULCGVOUAW-UHFFFAOYSA-N 0 0 413.187 4.328 20 5 HIBDRN O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3ccccc3Br)no2)n1 ZINC000460146193 872656992 /nfs/dbraw/zinc/65/69/92/872656992.db2.gz MWNSGVPXKZFSAP-UHFFFAOYSA-N 0 0 412.203 4.260 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1c2ccccc2N(C)CC[C@@H]1C ZINC000460224591 872810114 /nfs/dbraw/zinc/81/01/14/872810114.db2.gz CTPMAFLUYIEPOV-UONOGXRCSA-N 0 0 403.866 4.277 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000460226699 872812393 /nfs/dbraw/zinc/81/23/93/872812393.db2.gz AGPRDISKRRFOAN-FOIQADDNSA-N 0 0 407.474 4.469 20 5 HIBDRN CCn1c(Cn2ccc3ccccc32)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000460262820 872852935 /nfs/dbraw/zinc/85/29/35/872852935.db2.gz MOGJQKUIPLDPDG-UHFFFAOYSA-N 0 0 416.485 4.378 20 5 HIBDRN CS(=O)(=O)c1c(Cl)cccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000460265812 872854913 /nfs/dbraw/zinc/85/49/13/872854913.db2.gz ZMSZURPFFRJVKN-UHFFFAOYSA-N 0 0 410.860 4.119 20 5 HIBDRN CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000460295532 872886476 /nfs/dbraw/zinc/88/64/76/872886476.db2.gz CVHBMJPXQSSEJA-CQSZACIVSA-N 0 0 408.401 4.298 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000460295419 872886504 /nfs/dbraw/zinc/88/65/04/872886504.db2.gz HUGUYOMAVNKSMB-SFHVURJKSA-N 0 0 423.473 4.232 20 5 HIBDRN CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000460300159 872890145 /nfs/dbraw/zinc/89/01/45/872890145.db2.gz ZKEKJLXVCMXEBE-OAHLLOKOSA-N 0 0 413.453 4.164 20 5 HIBDRN CN1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2cc(Cl)ccc21 ZINC000460308799 872896004 /nfs/dbraw/zinc/89/60/04/872896004.db2.gz DTDUEWNAMVKEST-UHFFFAOYSA-N 0 0 400.866 4.309 20 5 HIBDRN Cc1csc([C@H](NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000460312214 872897830 /nfs/dbraw/zinc/89/78/30/872897830.db2.gz PUYFZEVSASFRNM-ORAYPTAESA-N 0 0 414.531 4.477 20 5 HIBDRN CO[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1 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ZINC000460859549 873760298 /nfs/dbraw/zinc/76/02/98/873760298.db2.gz LLXQNGZYSKWLJK-UHFFFAOYSA-N 0 0 404.426 4.098 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000460891882 873803033 /nfs/dbraw/zinc/80/30/33/873803033.db2.gz FXCZVRWKTROJQX-HNNXBMFYSA-N 0 0 410.405 4.112 20 5 HIBDRN CCSCC[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000460893419 873804296 /nfs/dbraw/zinc/80/42/96/873804296.db2.gz JMYBZHNYWOQQTF-QAPCUYQASA-N 0 0 419.551 4.000 20 5 HIBDRN CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1)[C@H]1CCc2ccccc21 ZINC000460916639 873822780 /nfs/dbraw/zinc/82/27/80/873822780.db2.gz XYAASVBFPXITID-FPOVZHCZSA-N 0 0 419.485 4.156 20 5 HIBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000460974936 873869184 /nfs/dbraw/zinc/86/91/84/873869184.db2.gz ZOXMQONJAJOCRU-KRWDZBQOSA-N 0 0 421.284 4.492 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000461026585 873892652 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UWRHMKWNQULEFZ-QGZVFWFLSA-N 0 0 413.503 4.120 20 5 HIBDRN CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)cc1 ZINC000461189358 874182596 /nfs/dbraw/zinc/18/25/96/874182596.db2.gz DAAASEAKBHVLEE-SFHVURJKSA-N 0 0 419.485 4.004 20 5 HIBDRN Cc1ccc(N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(Br)c1 ZINC000461206401 874208411 /nfs/dbraw/zinc/20/84/11/874208411.db2.gz FLDHCKSPOMJAFT-UHFFFAOYSA-N 0 0 413.293 4.108 20 5 HIBDRN CCCc1n[nH]c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)c1[N+](=O)[O-] ZINC000461208277 874209962 /nfs/dbraw/zinc/20/99/62/874209962.db2.gz ROJVEOSNBDCFMT-UHFFFAOYSA-N 0 0 410.396 4.141 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461214834 874217942 /nfs/dbraw/zinc/21/79/42/874217942.db2.gz ZWXXYVJIXUQYLP-UHFFFAOYSA-N 0 0 408.376 4.231 20 5 HIBDRN CO[C@@H]1CCOc2c(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cccc21 ZINC000468684206 882809799 /nfs/dbraw/zinc/80/97/99/882809799.db2.gz JSKNBJYKYREYEN-MRXNPFEDSA-N 0 0 421.247 4.009 20 5 HIBDRN Cc1nnc(-c2ccc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)cc2)o1 ZINC000468685751 882811474 /nfs/dbraw/zinc/81/14/74/882811474.db2.gz ABNTZWHRYLKXGN-UHFFFAOYSA-N 0 0 420.347 4.158 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000461299845 874304498 /nfs/dbraw/zinc/30/44/98/874304498.db2.gz WJRUMLWZVNAWKG-FCHUYYIVSA-N 0 0 421.497 4.381 20 5 HIBDRN CO[C@H]1CCOc2c(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cccc21 ZINC000468690394 882814516 /nfs/dbraw/zinc/81/45/16/882814516.db2.gz YWPVEQTXTJNMTA-KRWDZBQOSA-N 0 0 411.439 4.441 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CCOC4(CCCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000461338141 874348913 /nfs/dbraw/zinc/34/89/13/874348913.db2.gz GAPDLGMJPRVDRH-UHFFFAOYSA-N 0 0 401.507 4.006 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCOc1ccc(Cl)cc1Cl ZINC000468709455 882824162 /nfs/dbraw/zinc/82/41/62/882824162.db2.gz LAMFMHYJIMAJCM-UHFFFAOYSA-N 0 0 419.286 4.186 20 5 HIBDRN O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461402460 874414718 /nfs/dbraw/zinc/41/47/18/874414718.db2.gz CBSBVVYNYBEBDE-UHFFFAOYSA-N 0 0 415.858 4.407 20 5 HIBDRN O=C(COc1ccccc1-c1ccccc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461406769 874420788 /nfs/dbraw/zinc/42/07/88/874420788.db2.gz MEMDLVYMUVUNIE-UHFFFAOYSA-N 0 0 404.422 4.062 20 5 HIBDRN CCCOc1ccccc1Oc1ncccc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000468731204 882832589 /nfs/dbraw/zinc/83/25/89/882832589.db2.gz AMFURVKXQGQMQO-UHFFFAOYSA-N 0 0 422.441 4.083 20 5 HIBDRN Nc1c(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cccc1[N+](=O)[O-] ZINC000468736237 882835826 /nfs/dbraw/zinc/83/58/26/882835826.db2.gz VIPWLEIOCWCORQ-SFHVURJKSA-N 0 0 400.438 4.220 20 5 HIBDRN Nc1c(C(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)cccc1[N+](=O)[O-] ZINC000468743656 882838712 /nfs/dbraw/zinc/83/87/12/882838712.db2.gz NETYPYSAMTYWSR-GOSISDBHSA-N 0 0 409.421 4.074 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(C(=O)NCc2ccccn2)c1 ZINC000468745694 882839772 /nfs/dbraw/zinc/83/97/72/882839772.db2.gz VLPYCGJFCQSIHT-SFQUDFHCSA-N 0 0 402.454 4.435 20 5 HIBDRN C[C@H]1c2ccccc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461535168 874622363 /nfs/dbraw/zinc/62/23/63/874622363.db2.gz KVYKGDYFVBHCGX-IRXDYDNUSA-N 0 0 419.485 4.014 20 5 HIBDRN CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1)[C@H]1CCc2ccccc21 ZINC000461553910 874643199 /nfs/dbraw/zinc/64/31/99/874643199.db2.gz AJXNSVKQBJJJLU-IERDGZPVSA-N 0 0 419.485 4.014 20 5 HIBDRN C[C@@H](C1CCCCC1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 ZINC000461567409 874665628 /nfs/dbraw/zinc/66/56/28/874665628.db2.gz RZYNBFHELNHSEL-DLBZAZTESA-N 0 0 413.522 4.295 20 5 HIBDRN CCCCCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1)C(C)C ZINC000461570217 874669244 /nfs/dbraw/zinc/66/92/44/874669244.db2.gz VIBQVNGHDIPZBK-KRWDZBQOSA-N 0 0 401.511 4.295 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CC4(CC4)c4ccccc43)n2C[C@@H]2CCOC2)c1 ZINC000461572869 874674780 /nfs/dbraw/zinc/67/47/80/874674780.db2.gz RDQICESYTGNQSP-INIZCTEOSA-N 0 0 417.469 4.073 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000461596245 874720325 /nfs/dbraw/zinc/72/03/25/874720325.db2.gz CFQJJHXXHBMQRK-GOSISDBHSA-N 0 0 421.501 4.467 20 5 HIBDRN O=C(NC[C@@H](CO)C1CC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000461619426 874769393 /nfs/dbraw/zinc/76/93/93/874769393.db2.gz LWDAPHLSEBCCCO-ZDUSSCGKSA-N 0 0 406.891 4.148 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@H]3C3CCC3)n2C[C@@H]2CCCCO2)cc1 ZINC000461649872 874806502 /nfs/dbraw/zinc/80/65/02/874806502.db2.gz JTZSRLDWBWJGMW-VQTJNVASSA-N 0 0 411.506 4.191 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)[C@@H]1c1ccccc1 ZINC000461683646 874834654 /nfs/dbraw/zinc/83/46/54/874834654.db2.gz ARABLMMMJJUDAJ-WWMYMODYSA-N 0 0 419.485 4.087 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N(CC3CC3)C3CCC3)n2C[C@@H]2CCCCO2)c1 ZINC000461687997 874838087 /nfs/dbraw/zinc/83/80/87/874838087.db2.gz XDVRCDRLHJIHFN-FQEVSTJZSA-N 0 0 411.506 4.191 20 5 HIBDRN COc1ccc(C(=O)CCCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000461713266 874862038 /nfs/dbraw/zinc/86/20/38/874862038.db2.gz CTUCXGJUQAKWLN-NRFANRHFSA-N 0 0 414.483 4.231 20 5 HIBDRN COC[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccc(Cl)c1 ZINC000461717156 874866376 /nfs/dbraw/zinc/86/63/76/874866376.db2.gz HWOKMRAPQWYRSK-LJQANCHMSA-N 0 0 403.866 4.310 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2C[C@H]2CCCCO2)cc1 ZINC000461820595 874944581 /nfs/dbraw/zinc/94/45/81/874944581.db2.gz FOELDPFTHXXMLL-DBVUQKKJSA-N 0 0 411.506 4.191 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(c1nnc(C2CCC2)n1C[C@H]1CCCCO1)C1CC1 ZINC000461834711 874969304 /nfs/dbraw/zinc/96/93/04/874969304.db2.gz QPKOCWWJCFGCCB-LJQANCHMSA-N 0 0 411.506 4.192 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(CC(C)(C)C)n1C[C@H]1CCCCO1 ZINC000461847482 874988588 /nfs/dbraw/zinc/98/85/88/874988588.db2.gz KKVACEOSZYFZII-GOSISDBHSA-N 0 0 415.538 4.023 20 5 HIBDRN CC[C@]1(C)CCN(C(=O)c2ccc(C(=O)N3CC[C@](C)(CC)C3)c([N+](=O)[O-])c2)C1 ZINC000468837163 882883890 /nfs/dbraw/zinc/88/38/90/882883890.db2.gz FALCNICKKNZZHZ-YADHBBJMSA-N 0 0 401.507 4.119 20 5 HIBDRN Cc1cc(C)c(Br)c(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000461871136 875022207 /nfs/dbraw/zinc/02/22/07/875022207.db2.gz KQPCINNPDNHXDV-UHFFFAOYSA-N 0 0 416.235 4.012 20 5 HIBDRN CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000461915394 875056948 /nfs/dbraw/zinc/05/69/48/875056948.db2.gz HTPXXGLSCOHIHB-KGLIPLIRSA-N 0 0 410.396 4.117 20 5 HIBDRN CCS(=O)(=O)c1ccc(CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000461972103 875095051 /nfs/dbraw/zinc/09/50/51/875095051.db2.gz YRAZEGNLWRNEEE-UHFFFAOYSA-N 0 0 408.423 4.389 20 5 HIBDRN CCc1cc(N2Cc3ccc(O)cc3C3(CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462089691 875198761 /nfs/dbraw/zinc/19/87/61/875198761.db2.gz HUGAAHPAPKBFLE-UHFFFAOYSA-N 0 0 402.454 4.372 20 5 HIBDRN O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000462172445 875267710 /nfs/dbraw/zinc/26/77/10/875267710.db2.gz VAFIICNZVBLGDU-UHFFFAOYSA-N 0 0 417.343 4.467 20 5 HIBDRN CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462355276 875468630 /nfs/dbraw/zinc/46/86/30/875468630.db2.gz OLUDSRIIMSBBFI-CYBMUJFWSA-N 0 0 404.275 4.068 20 5 HIBDRN Cc1ccc(C[C@@H](C)N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462364056 875476430 /nfs/dbraw/zinc/47/64/30/875476430.db2.gz UGHUJOULJHDZKJ-GFCCVEGCSA-N 0 0 417.314 4.462 20 5 HIBDRN Cc1cc(OCC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000462369263 875482427 /nfs/dbraw/zinc/48/24/27/875482427.db2.gz JDPKIQMHFMQFJN-KOMQPUFPSA-N 0 0 419.275 4.107 20 5 HIBDRN Cc1nn(C)c2cc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)ccc12 ZINC000462378002 875489927 /nfs/dbraw/zinc/48/99/27/875489927.db2.gz RBBSZRNZLLELMK-UHFFFAOYSA-N 0 0 407.474 4.279 20 5 HIBDRN COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462399358 875507306 /nfs/dbraw/zinc/50/73/06/875507306.db2.gz VHFFJTXEELDCLS-QMMMGPOBSA-N 0 0 423.249 4.089 20 5 HIBDRN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c2ccc(F)cc2O1 ZINC000462403255 875511152 /nfs/dbraw/zinc/51/11/52/875511152.db2.gz RBWDEIXYEDHUQU-MRVPVSSYSA-N 0 0 421.233 4.017 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CC[C@H](n2cccn2)C1 ZINC000462404185 875511619 /nfs/dbraw/zinc/51/16/19/875511619.db2.gz WIQLSLKFEXPFAH-INIZCTEOSA-N 0 0 412.833 4.324 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]1c1ccsc1 ZINC000462430412 875537150 /nfs/dbraw/zinc/53/71/50/875537150.db2.gz UISDEXZHSLKNIH-GFCCVEGCSA-N 0 0 407.300 4.489 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000462433106 875539384 /nfs/dbraw/zinc/53/93/84/875539384.db2.gz QEBQNRPVBLAEAT-OAHLLOKOSA-N 0 0 408.401 4.090 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000462437967 875541858 /nfs/dbraw/zinc/54/18/58/875541858.db2.gz QRBROHCDNAUIOR-AWEZNQCLSA-N 0 0 415.877 4.348 20 5 HIBDRN CCN(Cc1ccccc1C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462436583 875542631 /nfs/dbraw/zinc/54/26/31/875542631.db2.gz NLQJDBBNDHUGJG-UHFFFAOYSA-N 0 0 403.287 4.421 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)Cc1ccc(OC)cc1OC ZINC000462439062 875543937 /nfs/dbraw/zinc/54/39/37/875543937.db2.gz FDWVUMXLZNWEHA-QGZVFWFLSA-N 0 0 400.475 4.229 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)Cc1ccc(OC)cc1OC ZINC000462439061 875544165 /nfs/dbraw/zinc/54/41/65/875544165.db2.gz FDWVUMXLZNWEHA-KRWDZBQOSA-N 0 0 400.475 4.229 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000462439307 875544844 /nfs/dbraw/zinc/54/48/44/875544844.db2.gz XNNKNASKFRKHES-KRWDZBQOSA-N 0 0 409.486 4.475 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000462440178 875547825 /nfs/dbraw/zinc/54/78/25/875547825.db2.gz QGIOWQGGJQQPOI-AWEZNQCLSA-N 0 0 423.391 4.094 20 5 HIBDRN CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462445222 875551990 /nfs/dbraw/zinc/55/19/90/875551990.db2.gz HADVLJHGEXKLPP-UHFFFAOYSA-N 0 0 411.213 4.001 20 5 HIBDRN CCc1ccc(CN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462450171 875556296 /nfs/dbraw/zinc/55/62/96/875556296.db2.gz BRPUBOKZJIKDNN-UHFFFAOYSA-N 0 0 403.287 4.285 20 5 HIBDRN Cn1cc(-c2cccc(CNc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)c2)cn1 ZINC000462486111 875595014 /nfs/dbraw/zinc/59/50/14/875595014.db2.gz QFNZGRWOYPNJPZ-UHFFFAOYSA-N 0 0 415.453 4.581 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 ZINC000462493456 875606057 /nfs/dbraw/zinc/60/60/57/875606057.db2.gz ZOZLTHMWPPMGIH-GOSISDBHSA-N 0 0 410.449 4.113 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000462499041 875612525 /nfs/dbraw/zinc/61/25/25/875612525.db2.gz GLERNHOPCZMUEN-WMZOPIPTSA-N 0 0 409.486 4.168 20 5 HIBDRN COc1ccc(S(=O)(=O)N([C@@H](C)c2ccccc2Cl)C2CC2)cc1[N+](=O)[O-] ZINC000462529607 875649470 /nfs/dbraw/zinc/64/94/70/875649470.db2.gz HWPCBFRPTCCTJB-LBPRGKRZSA-N 0 0 410.879 4.171 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000462536221 875655853 /nfs/dbraw/zinc/65/58/53/875655853.db2.gz IBWSLBNDCAYKEG-UHFFFAOYSA-N 0 0 419.261 4.394 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000462546400 875668198 /nfs/dbraw/zinc/66/81/98/875668198.db2.gz DOBKGQIEJNKSPZ-UHFFFAOYSA-N 0 0 417.259 4.059 20 5 HIBDRN Cc1nc(C(F)(F)F)sc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000462551611 875675672 /nfs/dbraw/zinc/67/56/72/875675672.db2.gz OMOAJWRUAQYVQU-UHFFFAOYSA-N 0 0 410.171 4.393 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Oc3cccnc3)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462585998 875703517 /nfs/dbraw/zinc/70/35/17/875703517.db2.gz CGBZXPUKEDQOTC-UHFFFAOYSA-N 0 0 400.394 4.313 20 5 HIBDRN Cc1cc(=NC(=O)c2cc3c(C(C)C)nn(C)c3s2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000462592735 875710005 /nfs/dbraw/zinc/71/00/05/875710005.db2.gz QTJLFKLIIACPED-UHFFFAOYSA-N 0 0 409.471 4.197 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000462607667 875720552 /nfs/dbraw/zinc/72/05/52/875720552.db2.gz RCFFHWWLAHJXHZ-HNNXBMFYSA-N 0 0 424.423 4.243 20 5 HIBDRN CCc1cc(NC(=O)c2oc3ccccc3c2COC)c2cc([N+](=O)[O-])ccc2n1 ZINC000462609196 875721835 /nfs/dbraw/zinc/72/18/35/875721835.db2.gz AFLQJMCHLWMBDK-UHFFFAOYSA-N 0 0 405.410 4.272 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000462613109 875725010 /nfs/dbraw/zinc/72/50/10/875725010.db2.gz DIXIHKYRPBBFKH-CRAIPNDOSA-N 0 0 408.458 4.015 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000462619915 875731728 /nfs/dbraw/zinc/73/17/28/875731728.db2.gz ONVJHWOCLDLDBF-LBPRGKRZSA-N 0 0 401.410 4.297 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000462624385 875736671 /nfs/dbraw/zinc/73/66/71/875736671.db2.gz ZWJIXAYNAQZORU-YJBOKZPZSA-N 0 0 408.458 4.015 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000462630234 875741530 /nfs/dbraw/zinc/74/15/30/875741530.db2.gz HFAULZMIIZBLSV-PXNSSMCTSA-N 0 0 406.486 4.286 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000462630235 875741765 /nfs/dbraw/zinc/74/17/65/875741765.db2.gz HFAULZMIIZBLSV-XLIONFOSSA-N 0 0 406.486 4.286 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000462629815 875741803 /nfs/dbraw/zinc/74/18/03/875741803.db2.gz GDPMLAINLSXRTD-JSNMRZPZSA-N 0 0 404.413 4.088 20 5 HIBDRN CCCC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000462636569 875747593 /nfs/dbraw/zinc/74/75/93/875747593.db2.gz DYUUIWRGSLVAID-CYBMUJFWSA-N 0 0 404.385 4.244 20 5 HIBDRN Cc1ncn(-c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)c1C ZINC000462760492 875824498 /nfs/dbraw/zinc/82/44/98/875824498.db2.gz JPWATBPLWAUIAM-UHFFFAOYSA-N 0 0 405.458 4.250 20 5 HIBDRN CNc1c(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000462778104 875835017 /nfs/dbraw/zinc/83/50/17/875835017.db2.gz RCVHQFJFONOHHF-CQSZACIVSA-N 0 0 403.866 4.221 20 5 HIBDRN COc1ccc(C2(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)CCOCC2)cc1 ZINC000462787481 875840071 /nfs/dbraw/zinc/84/00/71/875840071.db2.gz JZARTKWTVCREHV-UHFFFAOYSA-N 0 0 408.401 4.365 20 5 HIBDRN Cc1nn(CCC(=O)N2CCC(Cc3ccc(C(C)C)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000462803371 875851834 /nfs/dbraw/zinc/85/18/34/875851834.db2.gz APBFKLZYJUVNRG-UHFFFAOYSA-N 0 0 412.534 4.403 20 5 HIBDRN Cc1cnn([C@H]2CCCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C2)c1 ZINC000462815165 875857423 /nfs/dbraw/zinc/85/74/23/875857423.db2.gz HADBYDINEKJXKO-AWEZNQCLSA-N 0 0 416.279 4.252 20 5 HIBDRN COC[C@H](C)Oc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000468912314 882971228 /nfs/dbraw/zinc/97/12/28/882971228.db2.gz IGEKRNSIUOCHIT-STQMWFEESA-N 0 0 407.854 4.101 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1NCc1ccc(Cl)cc1 ZINC000462831873 875867417 /nfs/dbraw/zinc/86/74/17/875867417.db2.gz DRCGAIREXTYJSP-UHFFFAOYSA-N 0 0 413.865 4.394 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCc2cccc(Br)c2)c1 ZINC000462842788 875877850 /nfs/dbraw/zinc/87/78/50/875877850.db2.gz ZNEJGDYZYYVIIL-UHFFFAOYSA-N 0 0 409.305 4.394 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(Nc3ccc(OCc4noc(C5CC5)n4)cc3)cc2N1 ZINC000462873674 875904334 /nfs/dbraw/zinc/90/43/34/875904334.db2.gz NPJACZBMTNNZAI-UHFFFAOYSA-N 0 0 421.413 4.063 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000462911071 875937160 /nfs/dbraw/zinc/93/71/60/875937160.db2.gz NCAPYHKXGOKEQN-KRWDZBQOSA-N 0 0 418.453 4.450 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn(-c2ccc(F)cc2)nc1C ZINC000462914015 875939926 /nfs/dbraw/zinc/93/99/26/875939926.db2.gz PKELYQLLMUFWSN-KRWDZBQOSA-N 0 0 410.449 4.113 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000462983724 875995517 /nfs/dbraw/zinc/99/55/17/875995517.db2.gz ASKKKPYPMKSPTB-XMMPIXPASA-N 0 0 418.449 4.163 20 5 HIBDRN CNc1c(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cccc1[N+](=O)[O-] ZINC000462987593 876002056 /nfs/dbraw/zinc/00/20/56/876002056.db2.gz GZPDDAYCUHPPOM-UHFFFAOYSA-N 0 0 424.436 4.013 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc2ccccc2n1C(C)C ZINC000462996290 876009782 /nfs/dbraw/zinc/00/97/82/876009782.db2.gz RTDOBERBOPBVLR-GOSISDBHSA-N 0 0 408.502 4.453 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000462996130 876009864 /nfs/dbraw/zinc/00/98/64/876009864.db2.gz UCJAGMNQFSPCON-JXFKEZNVSA-N 0 0 402.878 4.417 20 5 HIBDRN CNc1c(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000462997638 876012836 /nfs/dbraw/zinc/01/28/36/876012836.db2.gz XFSKLYLPLFFAEE-LJAQVGFWSA-N 0 0 415.515 4.470 20 5 HIBDRN Cc1cc(N[C@@H](C)c2cccc(-n3ccnc3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463008593 876023520 /nfs/dbraw/zinc/02/35/20/876023520.db2.gz INFDREKQYOITJR-INIZCTEOSA-N 0 0 400.442 4.141 20 5 HIBDRN COCCCCc1cccnc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000463025733 876046168 /nfs/dbraw/zinc/04/61/68/876046168.db2.gz WQTZZXOWEIJQCY-UHFFFAOYSA-N 0 0 401.466 4.298 20 5 HIBDRN C[C@H](NCc1csc([N+](=O)[O-])c1)c1ccc(Br)cc1OCCCO ZINC000463028743 876047051 /nfs/dbraw/zinc/04/70/51/876047051.db2.gz OWORMOVJCUDCJD-NSHDSACASA-N 0 0 415.309 4.031 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCN(c2ccccc2F)C1 ZINC000463063148 876092696 /nfs/dbraw/zinc/09/26/96/876092696.db2.gz BAXRZLNIWBDVNZ-CQSZACIVSA-N 0 0 412.446 4.322 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](C)c2ccsc2)CC1 ZINC000463084601 876116239 /nfs/dbraw/zinc/11/62/39/876116239.db2.gz ODKPUECLTRWASS-CQSZACIVSA-N 0 0 405.545 4.287 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000463087276 876119475 /nfs/dbraw/zinc/11/94/75/876119475.db2.gz QEBPUBOQURBZMU-RHSMWYFYSA-N 0 0 405.248 4.007 20 5 HIBDRN Cc1nc2ccccc2n1CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463098150 876133396 /nfs/dbraw/zinc/13/33/96/876133396.db2.gz XYZQIFCLJPIQSS-UHFFFAOYSA-N 0 0 406.364 4.092 20 5 HIBDRN O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463101837 876136929 /nfs/dbraw/zinc/13/69/29/876136929.db2.gz LVWOWUFMJOFMSQ-UHFFFAOYSA-N 0 0 408.376 4.092 20 5 HIBDRN O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463127240 876172329 /nfs/dbraw/zinc/17/23/29/876172329.db2.gz XSCOHKJYAJIQGV-UHFFFAOYSA-N 0 0 423.178 4.157 20 5 HIBDRN COc1ccc([C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000463137983 876188476 /nfs/dbraw/zinc/18/84/76/876188476.db2.gz NJBNZAQHXNLDHT-QHCPKHFHSA-N 0 0 423.444 4.085 20 5 HIBDRN COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000468938751 883002978 /nfs/dbraw/zinc/00/29/78/883002978.db2.gz KWIWRRWEZMHOEX-UHFFFAOYSA-N 0 0 414.439 4.080 20 5 HIBDRN CNc1c(C(=O)Nc2nnc(SCc3cccs3)s2)cccc1[N+](=O)[O-] ZINC000463189954 876247050 /nfs/dbraw/zinc/24/70/50/876247050.db2.gz CEVCQRNKGNUQRH-UHFFFAOYSA-N 0 0 407.502 4.094 20 5 HIBDRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000463273549 876331275 /nfs/dbraw/zinc/33/12/75/876331275.db2.gz MGTVYXNQXJTTRI-ZDUSSCGKSA-N 0 0 421.482 4.254 20 5 HIBDRN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463287146 876346753 /nfs/dbraw/zinc/34/67/53/876346753.db2.gz IWDQSEPTHDCGMT-UHFFFAOYSA-N 0 0 424.501 4.041 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000463304356 876364944 /nfs/dbraw/zinc/36/49/44/876364944.db2.gz WCLKAKDDMBAHCI-QGZVFWFLSA-N 0 0 405.401 4.019 20 5 HIBDRN CC[C@H](NC(=O)N1CCN([C@H](C)c2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000463315699 876374573 /nfs/dbraw/zinc/37/45/73/876374573.db2.gz PYUXSDLZHYQFPF-BEFAXECRSA-N 0 0 402.520 4.196 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000463319858 876377339 /nfs/dbraw/zinc/37/73/39/876377339.db2.gz CYFAKZUOSVCOGN-LLVKDONJSA-N 0 0 421.375 4.453 20 5 HIBDRN COc1cc(CCNC(=O)c2sc(C3CCCC3)nc2C)c([N+](=O)[O-])cc1OC ZINC000463350482 876402886 /nfs/dbraw/zinc/40/28/86/876402886.db2.gz KVYCUZSZTSNHNO-UHFFFAOYSA-N 0 0 419.503 4.007 20 5 HIBDRN Cc1cc(Br)cc(Cl)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000463375334 876430000 /nfs/dbraw/zinc/43/00/00/876430000.db2.gz LHHXEDVWWSIMFC-UHFFFAOYSA-N 0 0 419.684 4.428 20 5 HIBDRN COc1ccc(Cc2nnc(SCc3cc(OC)c(F)cc3[N+](=O)[O-])o2)cc1 ZINC000463410601 876463790 /nfs/dbraw/zinc/46/37/90/876463790.db2.gz AWUZVELQZOYMNV-UHFFFAOYSA-N 0 0 405.407 4.017 20 5 HIBDRN COc1cc(CSc2nnc(-c3cccnc3)n2C2CC2)c([N+](=O)[O-])cc1F ZINC000463412541 876465189 /nfs/dbraw/zinc/46/51/89/876465189.db2.gz VLOJVTAWAMOGQE-UHFFFAOYSA-N 0 0 401.423 4.023 20 5 HIBDRN CN(CC(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000463427645 876482683 /nfs/dbraw/zinc/48/26/83/876482683.db2.gz CENGKRWLAVMLOT-FQEVSTJZSA-N 0 0 413.524 4.328 20 5 HIBDRN CN(CC(=O)Nc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1[N+](=O)[O-] ZINC000463441712 876498893 /nfs/dbraw/zinc/49/88/93/876498893.db2.gz RQOODZXYWMDGML-UHFFFAOYSA-N 0 0 401.426 4.009 20 5 HIBDRN CN(C)c1ccnc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)n1 ZINC000463484078 876542985 /nfs/dbraw/zinc/54/29/85/876542985.db2.gz PHAZEOQPVCWRPW-UHFFFAOYSA-N 0 0 418.251 4.085 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000463499634 876559166 /nfs/dbraw/zinc/55/91/66/876559166.db2.gz SIIKRRHQDOMNON-LLVKDONJSA-N 0 0 415.299 4.120 20 5 HIBDRN CCCOc1cc(NC(=O)N(C(C)C)[C@H]2CCOC2)c([N+](=O)[O-])cc1OCCC ZINC000463560035 876646916 /nfs/dbraw/zinc/64/69/16/876646916.db2.gz ORFTUSQJOLOJPZ-HNNXBMFYSA-N 0 0 409.483 4.204 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NCc2cccc(-c3cccnc3)c2)c([N+](=O)[O-])c1 ZINC000463561105 876649220 /nfs/dbraw/zinc/64/92/20/876649220.db2.gz DRYMPPMLGNDJAU-UHFFFAOYSA-N 0 0 413.437 4.233 20 5 HIBDRN O=C(COc1c(F)cccc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000463561759 876651131 /nfs/dbraw/zinc/65/11/31/876651131.db2.gz HQCCXOXBKAKYSY-OAHLLOKOSA-N 0 0 415.402 4.145 20 5 HIBDRN CC[C@H](C)N(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C(N)=O)cc1 ZINC000463601584 876719302 /nfs/dbraw/zinc/71/93/02/876719302.db2.gz BFIDHSDKVQKXJM-ZDUSSCGKSA-N 0 0 424.482 4.263 20 5 HIBDRN CC(=O)Nc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl ZINC000463659673 876781007 /nfs/dbraw/zinc/78/10/07/876781007.db2.gz GNVKTOYQCUJCHV-UHFFFAOYSA-N 0 0 401.728 4.478 20 5 HIBDRN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1C ZINC000463666068 876788204 /nfs/dbraw/zinc/78/82/04/876788204.db2.gz PPOMFFQIWNNTAL-SFHVURJKSA-N 0 0 411.483 4.286 20 5 HIBDRN CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463670597 876793246 /nfs/dbraw/zinc/79/32/46/876793246.db2.gz RPWZXFTXIGDOQQ-ZDUSSCGKSA-N 0 0 403.435 4.054 20 5 HIBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccccc2S1 ZINC000469005441 883073399 /nfs/dbraw/zinc/07/33/99/883073399.db2.gz QOHGFFZMWVHPFB-SNVBAGLBSA-N 0 0 418.418 4.303 20 5 HIBDRN CCc1ccc2c(c1)[C@H](CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N2 ZINC000463771255 876892945 /nfs/dbraw/zinc/89/29/45/876892945.db2.gz OUQFXGZQZHBSAK-ZDUSSCGKSA-N 0 0 421.375 4.032 20 5 HIBDRN O=C(NCCc1nc(-c2ccccn2)cs1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463782237 876901827 /nfs/dbraw/zinc/90/18/27/876901827.db2.gz KVCKWCHDPVHUTE-UHFFFAOYSA-N 0 0 422.388 4.105 20 5 HIBDRN Cc1ccc(C2=NN(C(=O)COc3c(F)cccc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC000463788701 876907463 /nfs/dbraw/zinc/90/74/63/876907463.db2.gz NTFWSYRTSUNRMM-LJQANCHMSA-N 0 0 423.400 4.392 20 5 HIBDRN O=C(C[C@H]1CCCCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000469010194 883077212 /nfs/dbraw/zinc/07/72/12/883077212.db2.gz OQJQUARWZHOYJZ-MRXNPFEDSA-N 0 0 402.472 4.324 20 5 HIBDRN Cc1ccc(S(=O)(=O)c2ccc(COc3c(F)cccc3[N+](=O)[O-])cc2)cc1 ZINC000463802000 876918726 /nfs/dbraw/zinc/91/87/26/876918726.db2.gz UPUSSXGYIDPQKO-UHFFFAOYSA-N 0 0 401.415 4.454 20 5 HIBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000469017576 883084130 /nfs/dbraw/zinc/08/41/30/883084130.db2.gz ONHRUXYFOLJLRJ-JLHYYAGUSA-N 0 0 403.364 4.710 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000463880251 877000397 /nfs/dbraw/zinc/00/03/97/877000397.db2.gz CZQINRFSBBBJOM-UHFFFAOYSA-N 0 0 411.380 4.476 20 5 HIBDRN COc1cccc([C@H](C)N2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)c1 ZINC000463948867 877070067 /nfs/dbraw/zinc/07/00/67/877070067.db2.gz JSIXBTSXASKABM-KRWDZBQOSA-N 0 0 412.490 4.131 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000463950716 877072813 /nfs/dbraw/zinc/07/28/13/877072813.db2.gz NANZOYHWCMIXGP-UHFFFAOYSA-N 0 0 411.384 4.296 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000463951899 877073673 /nfs/dbraw/zinc/07/36/73/877073673.db2.gz BSKXAQRIVBZDSJ-UHFFFAOYSA-N 0 0 415.837 4.279 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000463957683 877081312 /nfs/dbraw/zinc/08/13/12/877081312.db2.gz GACIQMMNZMGPNZ-UHFFFAOYSA-N 0 0 419.441 4.181 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000463963605 877090035 /nfs/dbraw/zinc/09/00/35/877090035.db2.gz JWZGBTAGCDQEGX-CQSZACIVSA-N 0 0 411.462 4.378 20 5 HIBDRN Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000464045380 877186593 /nfs/dbraw/zinc/18/65/93/877186593.db2.gz NMJSCLWWBCSSGM-WOJBJXKFSA-N 0 0 404.470 4.497 20 5 HIBDRN CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000464052811 877196068 /nfs/dbraw/zinc/19/60/68/877196068.db2.gz KUSNQJNGXIHCSP-UHFFFAOYSA-N 0 0 421.856 4.381 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000464053934 877196555 /nfs/dbraw/zinc/19/65/55/877196555.db2.gz NYHXQZJMPFPUCN-UHFFFAOYSA-N 0 0 417.465 4.176 20 5 HIBDRN COc1cc(CNc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000464078026 877229428 /nfs/dbraw/zinc/22/94/28/877229428.db2.gz SSRNWUSDFFJMQG-HUUCEWRRSA-N 0 0 415.465 4.473 20 5 HIBDRN COc1cc(COc2c(OC)cc(Br)cc2OC)c([N+](=O)[O-])cc1F ZINC000464086557 877238674 /nfs/dbraw/zinc/23/86/74/877238674.db2.gz WLTJFCMDFFQCGY-UHFFFAOYSA-N 0 0 416.199 4.101 20 5 HIBDRN COc1cc(CNc2cc(C(F)(F)F)ccc2NC(C)=O)c([N+](=O)[O-])cc1F ZINC000464087468 877238766 /nfs/dbraw/zinc/23/87/66/877238766.db2.gz ZKPSMKUZHKFACI-UHFFFAOYSA-N 0 0 401.316 4.332 20 5 HIBDRN CSc1cccc([C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)c2ccc(F)c(F)c2)c1 ZINC000464134470 877294292 /nfs/dbraw/zinc/29/42/92/877294292.db2.gz HEZSMJTYAAQTAS-SFHVURJKSA-N 0 0 403.410 4.442 20 5 HIBDRN COc1cc(OCC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000464207041 877377597 /nfs/dbraw/zinc/37/75/97/877377597.db2.gz AWUGVEKTWBUIJI-JOCHJYFZSA-N 0 0 418.449 4.308 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2/C=C/c2ccccc2)c2ncccc12 ZINC000464210623 877379544 /nfs/dbraw/zinc/37/95/44/877379544.db2.gz GQXMENLLHXATNS-DVQDXYAYSA-N 0 0 409.467 4.010 20 5 HIBDRN Cc1nn(CCC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000464213176 877383988 /nfs/dbraw/zinc/38/39/88/877383988.db2.gz UDADYBIBDPIHOL-OAQYLSRUSA-N 0 0 404.470 4.124 20 5 HIBDRN Cc1ccc(NS(=O)(=O)c2ccc(S[C@@H]3CCCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000503253824 912233160 /nfs/dbraw/zinc/23/31/60/912233160.db2.gz KHPIZCXVONDMCQ-OAHLLOKOSA-N 0 0 422.528 4.284 20 5 HIBDRN C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Sc1ccccc1 ZINC000464254729 877433490 /nfs/dbraw/zinc/43/34/90/877433490.db2.gz AZVLZDLCQXWUAR-KRWDZBQOSA-N 0 0 402.519 4.452 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000464254867 877433660 /nfs/dbraw/zinc/43/36/60/877433660.db2.gz VTBYVBWEPCZJHB-NSHDSACASA-N 0 0 420.343 4.256 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@H](C)Sc2ccccc2)cc1[N+](=O)[O-] ZINC000464272924 877457744 /nfs/dbraw/zinc/45/77/44/877457744.db2.gz MKNVTMBDXLDYKO-AWEZNQCLSA-N 0 0 406.529 4.134 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OCc3ccccc3F)cc2)c1 ZINC000464279929 877467398 /nfs/dbraw/zinc/46/73/98/877467398.db2.gz XVFPPRVDSUIZOD-UHFFFAOYSA-N 0 0 410.401 4.252 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)cc([N+](=O)[O-])c1 ZINC000464303350 877492649 /nfs/dbraw/zinc/49/26/49/877492649.db2.gz ZQPJZLCWWHHQTN-ORAYPTAESA-N 0 0 400.406 4.134 20 5 HIBDRN CC(C)Oc1ccc2ccccc2c1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000464376229 877575412 /nfs/dbraw/zinc/57/54/12/877575412.db2.gz MPEOCGZUGXRDHS-UHFFFAOYSA-N 0 0 414.483 4.155 20 5 HIBDRN CC(C)Cn1cc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cn1 ZINC000464382591 877584288 /nfs/dbraw/zinc/58/42/88/877584288.db2.gz ITIAMLADDNLJAM-OAHLLOKOSA-N 0 0 408.462 4.268 20 5 HIBDRN Cc1cc(NC(=O)c2c(C)cccc2Br)c2cc([N+](=O)[O-])ccc2n1 ZINC000464393322 877593820 /nfs/dbraw/zinc/59/38/20/877593820.db2.gz OEZHJCWDGXNLNT-UHFFFAOYSA-N 0 0 400.232 4.197 20 5 HIBDRN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464421024 877630918 /nfs/dbraw/zinc/63/09/18/877630918.db2.gz OVQPLVXGUMVAPU-IIDMSEBBSA-N 0 0 411.483 4.098 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000464460075 877681192 /nfs/dbraw/zinc/68/11/92/877681192.db2.gz JQNHLJIIZNJQNR-INIZCTEOSA-N 0 0 408.457 4.262 20 5 HIBDRN COc1cc(CN2CCO[C@H](c3ccccc3C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000464478100 877697986 /nfs/dbraw/zinc/69/79/86/877697986.db2.gz CVEIZVPUSNSCLG-SFHVURJKSA-N 0 0 414.355 4.335 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000464479356 877698708 /nfs/dbraw/zinc/69/87/08/877698708.db2.gz IASFNJYNMCCWDL-CQSZACIVSA-N 0 0 416.499 4.347 20 5 HIBDRN CCCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000464492222 877711027 /nfs/dbraw/zinc/71/10/27/877711027.db2.gz DDYUXXLVMSSLMF-UHFFFAOYSA-N 0 0 421.247 4.201 20 5 HIBDRN Cc1ccc([C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000503288772 912270726 /nfs/dbraw/zinc/27/07/26/912270726.db2.gz ZQHHAMIQNXSKKG-QFIPXVFZSA-N 0 0 413.437 4.003 20 5 HIBDRN Cc1c(-c2cc(CSc3nc4cc5ccccc5cc4c(=O)n3C)on2)cnn1C ZINC000464566794 877785280 /nfs/dbraw/zinc/78/52/80/877785280.db2.gz CFGNCZCMVGQVJW-UHFFFAOYSA-N 0 0 417.494 4.076 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccccc2S(=O)(=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000464577801 877801307 /nfs/dbraw/zinc/80/13/07/877801307.db2.gz KVGSHMUKOUEMRP-UHFFFAOYSA-N 0 0 420.512 4.285 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000464628632 877846255 /nfs/dbraw/zinc/84/62/55/877846255.db2.gz OSAMYANSIAXSTF-SNVBAGLBSA-N 0 0 402.756 4.464 20 5 HIBDRN Cc1cc(C)n(-c2ccc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2)n1 ZINC000464634288 877850982 /nfs/dbraw/zinc/85/09/82/877850982.db2.gz ZHODLSHDGJGALE-UHFFFAOYSA-N 0 0 420.469 4.081 20 5 HIBDRN O=C(Cn1ccc2ccc(Cl)cc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464642966 877860929 /nfs/dbraw/zinc/86/09/29/877860929.db2.gz MTWKZWHQWCPDEJ-UHFFFAOYSA-N 0 0 413.861 4.273 20 5 HIBDRN Cc1ccccc1C1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 ZINC000464646292 877866216 /nfs/dbraw/zinc/86/62/16/877866216.db2.gz XKIQNNGBSRBRHF-UHFFFAOYSA-N 0 0 424.497 4.021 20 5 HIBDRN Cc1cc(C(F)(F)F)ncc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000464654603 877875473 /nfs/dbraw/zinc/87/54/73/877875473.db2.gz JCTCEXKIWGDZKV-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN Cc1cc(C(=O)N2CCOc3c(Cl)cc(Br)cc32)ccc1[N+](=O)[O-] ZINC000464655139 877876629 /nfs/dbraw/zinc/87/66/29/877876629.db2.gz MMSWNMMEMAKVJU-UHFFFAOYSA-N 0 0 411.639 4.358 20 5 HIBDRN COc1ccc(C2(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)CCC2)cc1 ZINC000464663626 877884377 /nfs/dbraw/zinc/88/43/77/877884377.db2.gz NOCQELNFJQQLFF-UHFFFAOYSA-N 0 0 410.470 4.095 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC(C)C)cc([N+](=O)[O-])c1 ZINC000464665695 877885220 /nfs/dbraw/zinc/88/52/20/877885220.db2.gz QYVCAEIIXHJZDH-UHFFFAOYSA-N 0 0 406.822 4.464 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](c1ccccc1Cl)C(C)C ZINC000503303058 912286205 /nfs/dbraw/zinc/28/62/05/912286205.db2.gz MPOOHTHOGOQFFK-SFHVURJKSA-N 0 0 403.866 4.351 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCOC[C@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000464700297 877918681 /nfs/dbraw/zinc/91/86/81/877918681.db2.gz BRJTZXKBNFEHMJ-JTSKRJEESA-N 0 0 409.486 4.045 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000464711953 877936152 /nfs/dbraw/zinc/93/61/52/877936152.db2.gz NXKOZLCEMFBUPB-LBPRGKRZSA-N 0 0 408.380 4.018 20 5 HIBDRN CC(C)NC(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000503309665 912291516 /nfs/dbraw/zinc/29/15/16/912291516.db2.gz KPOKMRMBVMSWPO-UHFFFAOYSA-N 0 0 410.455 4.109 20 5 HIBDRN COc1ccc([C@H](Cc2ccccc2)NC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC000464714952 877940092 /nfs/dbraw/zinc/94/00/92/877940092.db2.gz SVAFAYAZCDTMAW-NRFANRHFSA-N 0 0 406.438 4.326 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC000464714083 877940210 /nfs/dbraw/zinc/94/02/10/877940210.db2.gz ARTMMDIMXUFZCU-MRXNPFEDSA-N 0 0 409.895 4.265 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000464718012 877944252 /nfs/dbraw/zinc/94/42/52/877944252.db2.gz XQQJWKAOHGDNRP-CHWSQXEVSA-N 0 0 404.492 4.384 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000464719828 877947554 /nfs/dbraw/zinc/94/75/54/877947554.db2.gz MWWAMSWDGWBUSA-UHFFFAOYSA-N 0 0 415.247 4.358 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCc2cscn2)c(OC)c1 ZINC000464722363 877950709 /nfs/dbraw/zinc/95/07/09/877950709.db2.gz FCUVTJHZMMXBSQ-UHFFFAOYSA-N 0 0 413.455 4.454 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC000464722854 877951575 /nfs/dbraw/zinc/95/15/75/877951575.db2.gz KDHXACQJVQUAHU-NRFANRHFSA-N 0 0 409.486 4.407 20 5 HIBDRN Cc1ccc(CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]2CCCO2)cc1 ZINC000464777735 878021471 /nfs/dbraw/zinc/02/14/71/878021471.db2.gz PBRPUTTUHYOURY-NRFANRHFSA-N 0 0 422.485 4.177 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000464777540 878022364 /nfs/dbraw/zinc/02/23/64/878022364.db2.gz VFTBNHCESHDNPR-JKSUJKDBSA-N 0 0 401.894 4.085 20 5 HIBDRN COc1cc(CCNC(=O)N[C@@H](c2ccccc2)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000503324736 912302740 /nfs/dbraw/zinc/30/27/40/912302740.db2.gz QXLQKASBWJHCPF-FQEVSTJZSA-N 0 0 415.490 4.241 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000503335236 912313780 /nfs/dbraw/zinc/31/37/80/912313780.db2.gz SKEPOMOCGZCSRW-UHFFFAOYSA-N 0 0 422.416 4.426 20 5 HIBDRN Cc1cccc(Oc2cc(CNC(=O)CN(C)c3ccccc3[N+](=O)[O-])ccn2)c1C ZINC000464890826 878191225 /nfs/dbraw/zinc/19/12/25/878191225.db2.gz UQPQFHKOCIGDMJ-UHFFFAOYSA-N 0 0 420.469 4.152 20 5 HIBDRN O=C(c1ccc([C@H]2CCCOC2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000503353686 912328771 /nfs/dbraw/zinc/32/87/71/912328771.db2.gz BUOHWWOMVNMPFA-IBGZPJMESA-N 0 0 410.470 4.172 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(F)c(Br)c2)c([N+](=O)[O-])cc1OC ZINC000464967970 878307278 /nfs/dbraw/zinc/30/72/78/878307278.db2.gz WJODHDDYERDBLO-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN Cc1ccc(OC(F)F)c(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1 ZINC000465052641 878416561 /nfs/dbraw/zinc/41/65/61/878416561.db2.gz DEKXCBJZDTVJEM-UHFFFAOYSA-N 0 0 405.401 4.353 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3cccc(Br)c3n2)c1 ZINC000465071126 878432395 /nfs/dbraw/zinc/43/23/95/878432395.db2.gz LWNCVXDYOBEEQN-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(=Cc2ccccc2F)CC1 ZINC000465088724 878453478 /nfs/dbraw/zinc/45/34/78/878453478.db2.gz FLXUEDRXDGXJOZ-UHFFFAOYSA-N 0 0 406.417 4.239 20 5 HIBDRN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465145497 878525752 /nfs/dbraw/zinc/52/57/52/878525752.db2.gz AVOBBOZVVKNZRP-IBGZPJMESA-N 0 0 412.486 4.087 20 5 HIBDRN CCCn1ccc2ccc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)cc21 ZINC000465155702 878535612 /nfs/dbraw/zinc/53/56/12/878535612.db2.gz MPMSZTGTBCCCTN-UHFFFAOYSA-N 0 0 404.430 4.101 20 5 HIBDRN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465161245 878541940 /nfs/dbraw/zinc/54/19/40/878541940.db2.gz AGFOUCAWIDFGFU-OALUTQOASA-N 0 0 410.470 4.093 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(N2CCc3ccccc32)CC1 ZINC000503376671 912360342 /nfs/dbraw/zinc/36/03/42/912360342.db2.gz OBNRYPGFJRICHN-MRXNPFEDSA-N 0 0 419.485 4.233 20 5 HIBDRN Cc1ccc(-c2nc(CNC(=O)c3ccc([N+](=O)[O-])cc3Br)co2)cc1 ZINC000465194155 878591880 /nfs/dbraw/zinc/59/18/80/878591880.db2.gz KOKORTCMVRWUNG-UHFFFAOYSA-N 0 0 416.231 4.251 20 5 HIBDRN CO[C@H](CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000465200198 878604528 /nfs/dbraw/zinc/60/45/28/878604528.db2.gz ZSQWPFXLKBSIHN-OAHLLOKOSA-N 0 0 409.533 4.302 20 5 HIBDRN CO[C@@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(C)C ZINC000465214232 878629006 /nfs/dbraw/zinc/62/90/06/878629006.db2.gz LSDNYCCXOAIIOE-IBGZPJMESA-N 0 0 405.882 4.261 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](OC)C(C)(C)C)cc1 ZINC000465215945 878630650 /nfs/dbraw/zinc/63/06/50/878630650.db2.gz NRHOORGMNHRXEX-LJQANCHMSA-N 0 0 402.447 4.187 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)CCCC2 ZINC000465264888 878693952 /nfs/dbraw/zinc/69/39/52/878693952.db2.gz PDPCFHGGDVZQNH-UHFFFAOYSA-N 0 0 409.486 4.189 20 5 HIBDRN COc1cc(C(=O)Nc2cccc(F)c2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000465276360 878711482 /nfs/dbraw/zinc/71/14/82/878711482.db2.gz MAEJLZQYTBWMNL-UHFFFAOYSA-N 0 0 417.418 4.339 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000503391098 912375985 /nfs/dbraw/zinc/37/59/85/912375985.db2.gz BUGMUFZTEVJLHW-UHFFFAOYSA-N 0 0 404.492 4.245 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cc(Cl)ccc1OC(F)F ZINC000465291255 878730141 /nfs/dbraw/zinc/73/01/41/878730141.db2.gz UONMBUJCNPSUOK-UHFFFAOYSA-N 0 0 413.808 4.358 20 5 HIBDRN CC(=O)c1ccc(Br)cc1OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000465390192 878830097 /nfs/dbraw/zinc/83/00/97/878830097.db2.gz WWQQTLQZYYVWQK-UHFFFAOYSA-N 0 0 418.203 4.189 20 5 HIBDRN C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)c(F)c1 ZINC000465442276 878872466 /nfs/dbraw/zinc/87/24/66/878872466.db2.gz LAOQLCNGXXMSBW-ZDUSSCGKSA-N 0 0 405.401 4.187 20 5 HIBDRN COc1cccc(OC)c1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000465453394 878883462 /nfs/dbraw/zinc/88/34/62/878883462.db2.gz QCDNVOGXZMBLRF-UHFFFAOYSA-N 0 0 413.455 4.225 20 5 HIBDRN O=C(NCCc1cccc(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465468089 878904189 /nfs/dbraw/zinc/90/41/89/878904189.db2.gz BSXOMRCZVPRZDE-UHFFFAOYSA-N 0 0 403.866 4.044 20 5 HIBDRN CC[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(OC)cc1 ZINC000465475288 878914628 /nfs/dbraw/zinc/91/46/28/878914628.db2.gz JOBKWSOJPDBJLV-NRFANRHFSA-N 0 0 413.474 4.308 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000465531852 878988535 /nfs/dbraw/zinc/98/85/35/878988535.db2.gz SETZEDAIEPRCSW-FQEVSTJZSA-N 0 0 402.422 4.412 20 5 HIBDRN CSc1cnn(-c2ccccc2)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000465639565 879154532 /nfs/dbraw/zinc/15/45/32/879154532.db2.gz VPMZUFYYWFEQQP-UHFFFAOYSA-N 0 0 400.485 4.233 20 5 HIBDRN C[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1cccc(Br)c1 ZINC000465657829 879185026 /nfs/dbraw/zinc/18/50/26/879185026.db2.gz KAAGVYKFJXSXOF-STQMWFEESA-N 0 0 422.279 4.185 20 5 HIBDRN CSc1ccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000465750995 879339800 /nfs/dbraw/zinc/33/98/00/879339800.db2.gz NZZVLXSVBFDPQE-UHFFFAOYSA-N 0 0 401.488 4.070 20 5 HIBDRN CC1(c2ccccc2)CC(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000465858213 879504085 /nfs/dbraw/zinc/50/40/85/879504085.db2.gz JWSJEKRCKPDGOT-UHFFFAOYSA-N 0 0 409.486 4.268 20 5 HIBDRN CNC(=O)c1cccc(CCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000503466415 912498913 /nfs/dbraw/zinc/49/89/13/912498913.db2.gz PJZSHFLRULRGMM-UHFFFAOYSA-N 0 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O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000466263762 879993752 /nfs/dbraw/zinc/99/37/52/879993752.db2.gz VUEWVJRRNMUQPH-QGZVFWFLSA-N 0 0 407.495 4.183 20 5 HIBDRN CC(=O)Nc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc(C(F)(F)F)c1 ZINC000466275265 880014075 /nfs/dbraw/zinc/01/40/75/880014075.db2.gz XSCJMODVMJPDHH-UHFFFAOYSA-N 0 0 415.755 4.155 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000466278063 880017687 /nfs/dbraw/zinc/01/76/87/880017687.db2.gz OBECTAFRLXRDBE-INIZCTEOSA-N 0 0 423.494 4.019 20 5 HIBDRN O=C(N[C@@H]1CCCc2sccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000466279163 880019009 /nfs/dbraw/zinc/01/90/09/880019009.db2.gz RIPKLUUNFBVDIK-CYBMUJFWSA-N 0 0 400.378 4.405 20 5 HIBDRN O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466285652 880028141 /nfs/dbraw/zinc/02/81/41/880028141.db2.gz GUKIFYVIJQWEQN-KRWDZBQOSA-N 0 0 405.857 4.172 20 5 HIBDRN Cn1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc2cccc(Cl)c21 ZINC000466285023 880028198 /nfs/dbraw/zinc/02/81/98/880028198.db2.gz BIVOKNNBOATXBW-UHFFFAOYSA-N 0 0 416.868 4.334 20 5 HIBDRN CCn1c2ccccc2nc1SCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466295668 880041105 /nfs/dbraw/zinc/04/11/05/880041105.db2.gz FLGXVYCYQPEESK-UHFFFAOYSA-N 0 0 404.879 4.026 20 5 HIBDRN Cc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccc(Cl)cc1 ZINC000466295486 880041134 /nfs/dbraw/zinc/04/11/34/880041134.db2.gz AUULOBKTFDLHMR-UHFFFAOYSA-N 0 0 405.241 4.326 20 5 HIBDRN COc1ccc(C(=O)CCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000466302258 880051315 /nfs/dbraw/zinc/05/13/15/880051315.db2.gz DLLGMFOIGKYMBE-UHFFFAOYSA-N 0 0 411.241 4.190 20 5 HIBDRN CN(Cc1ccccc1-c1ccccc1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503489686 912534116 /nfs/dbraw/zinc/53/41/16/912534116.db2.gz OJCWLGZADFPDKP-UHFFFAOYSA-N 0 0 410.495 4.266 20 5 HIBDRN O=C(NCc1cc2cc(Br)ccc2[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000466389999 880151827 /nfs/dbraw/zinc/15/18/27/880151827.db2.gz SEJSOZKZEBAJLC-UHFFFAOYSA-N 0 0 408.639 4.422 20 5 HIBDRN CC[C@](C)(NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(=O)OC ZINC000466433614 880207848 /nfs/dbraw/zinc/20/78/48/880207848.db2.gz DGNRPCSYMRSDGE-IBGZPJMESA-N 0 0 422.890 4.471 20 5 HIBDRN Cc1ccc(Cl)cc1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000466439783 880214427 /nfs/dbraw/zinc/21/44/27/880214427.db2.gz AMAWFTZHYKJEPR-UHFFFAOYSA-N 0 0 405.241 4.368 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(F)c(Br)cc1Cl ZINC000466464419 880246231 /nfs/dbraw/zinc/24/62/31/880246231.db2.gz MTMSYFMRLLONLF-UHFFFAOYSA-N 0 0 403.591 4.167 20 5 HIBDRN COc1cc(CNCc2ccc([N+](=O)[O-])cc2Cl)c(Br)cc1O ZINC000466470278 880252803 /nfs/dbraw/zinc/25/28/03/880252803.db2.gz HVRYJYZUJIADND-UHFFFAOYSA-N 0 0 401.644 4.015 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000466502058 880276567 /nfs/dbraw/zinc/27/65/67/880276567.db2.gz GYTSTRDNLNKGPZ-UHFFFAOYSA-N 0 0 409.446 4.449 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)n(-c2ccc(F)cc2F)n1 ZINC000466503927 880278855 /nfs/dbraw/zinc/27/88/55/880278855.db2.gz NRFOUTINDQERKJ-UHFFFAOYSA-N 0 0 402.357 4.018 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000466510072 880284798 /nfs/dbraw/zinc/28/47/98/880284798.db2.gz MURRZMFTUWQYGW-UHFFFAOYSA-N 0 0 418.299 4.449 20 5 HIBDRN O=C(NCCc1cnccn1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466534643 880309727 /nfs/dbraw/zinc/30/97/27/880309727.db2.gz RMVRMZZIQFOQFA-UHFFFAOYSA-N 0 0 414.874 4.162 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000466547880 880321279 /nfs/dbraw/zinc/32/12/79/880321279.db2.gz IXOKPIHMFILAST-UHFFFAOYSA-N 0 0 414.849 4.365 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000466553398 880327903 /nfs/dbraw/zinc/32/79/03/880327903.db2.gz CWHHODDXCQOBKV-UHFFFAOYSA-N 0 0 421.276 4.380 20 5 HIBDRN CCOC(=O)CCCNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466610160 880380349 /nfs/dbraw/zinc/38/03/49/880380349.db2.gz PKXUREJJSFFMSO-UHFFFAOYSA-N 0 0 422.890 4.473 20 5 HIBDRN CC(C)CO[C@@H](C)c1noc(CSc2nc3cc4ccccc4cc3c(=O)n2C)n1 ZINC000466619085 880390102 /nfs/dbraw/zinc/39/01/02/880390102.db2.gz ORTSZWBSSUDIMT-AWEZNQCLSA-N 0 0 424.526 4.496 20 5 HIBDRN Cc1ccc(NC(=O)C2(CNC(=O)c3ccc(F)cc3[N+](=O)[O-])CCCC2)cc1C ZINC000466622856 880394762 /nfs/dbraw/zinc/39/47/62/880394762.db2.gz JCLWAXPCCWQAKD-UHFFFAOYSA-N 0 0 413.449 4.280 20 5 HIBDRN Cc1n[nH]cc1CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466634538 880407587 /nfs/dbraw/zinc/40/75/87/880407587.db2.gz QRPMSEBLLPRIPJ-UHFFFAOYSA-N 0 0 402.863 4.361 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000466749995 880530861 /nfs/dbraw/zinc/53/08/61/880530861.db2.gz AZSLJUIINCAQSP-UHFFFAOYSA-N 0 0 401.753 4.180 20 5 HIBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H]1CCOC1 ZINC000503528161 912579246 /nfs/dbraw/zinc/57/92/46/912579246.db2.gz AXLCUGNZBMMGOL-QZFKAFNDSA-N 0 0 409.467 4.040 20 5 HIBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@@H]1CCOC1 ZINC000503528162 912579719 /nfs/dbraw/zinc/57/97/19/912579719.db2.gz AXLCUGNZBMMGOL-RBFDBLARSA-N 0 0 409.467 4.040 20 5 HIBDRN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCC[C@@H](CO)C1 ZINC000466778266 880557039 /nfs/dbraw/zinc/55/70/39/880557039.db2.gz OJARCPKGDWKWIN-CYBMUJFWSA-N 0 0 406.891 4.244 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CCCO1 ZINC000466778892 880557218 /nfs/dbraw/zinc/55/72/18/880557218.db2.gz RCVQGSATSRIWAY-AWEZNQCLSA-N 0 0 407.517 4.152 20 5 HIBDRN C[C@@]1(C(F)(F)F)c2ccccc2CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000466797200 880576110 /nfs/dbraw/zinc/57/61/10/880576110.db2.gz VMYACOGQNLDWTD-IBGZPJMESA-N 0 0 408.376 4.226 20 5 HIBDRN Cc1cnc(N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c([N+](=O)[O-])c1 ZINC000466806651 880584560 /nfs/dbraw/zinc/58/45/60/880584560.db2.gz MUKMXBTZSLPFAJ-LLVKDONJSA-N 0 0 401.776 4.056 20 5 HIBDRN COCC[C@H]1CCCCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000466831030 880600742 /nfs/dbraw/zinc/60/07/42/880600742.db2.gz JRRQPQZOSGYIJQ-QZTJIDSGSA-N 0 0 403.523 4.110 20 5 HIBDRN COCC[C@H]1CCCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000466837488 880605443 /nfs/dbraw/zinc/60/54/43/880605443.db2.gz VKWYNWQJHLWFEH-GOSISDBHSA-N 0 0 403.523 4.110 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000466902890 880669720 /nfs/dbraw/zinc/66/97/20/880669720.db2.gz LFTHJSUWBRZDOS-UHFFFAOYSA-N 0 0 403.394 4.344 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(CN(C)C)c(Br)c2)cc1[N+](=O)[O-] ZINC000467026048 880825584 /nfs/dbraw/zinc/82/55/84/880825584.db2.gz WKIJVXRLYLSZCX-UHFFFAOYSA-N 0 0 421.295 4.103 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(Br)c(F)cc1F ZINC000467032572 880830201 /nfs/dbraw/zinc/83/02/01/880830201.db2.gz KALBKEIRZFKOCU-UHFFFAOYSA-N 0 0 410.174 4.298 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000467033138 880831055 /nfs/dbraw/zinc/83/10/55/880831055.db2.gz AYUUSHXVSXAWQL-ZDUSSCGKSA-N 0 0 405.863 4.110 20 5 HIBDRN CN(C)Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1Br ZINC000467079378 880852642 /nfs/dbraw/zinc/85/26/42/880852642.db2.gz OEHDIWVSDZAMBM-UHFFFAOYSA-N 0 0 417.263 4.153 20 5 HIBDRN Cc1cc(Oc2ncccn2)ccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467151188 880888746 /nfs/dbraw/zinc/88/87/46/880888746.db2.gz YKBYUPXTPHEQJO-UHFFFAOYSA-N 0 0 413.821 4.461 20 5 HIBDRN CN(CC[C@@H]1CCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467153355 880889464 /nfs/dbraw/zinc/88/94/64/880889464.db2.gz AYQSFVLCBFJEQZ-PXNSSMCTSA-N 0 0 417.893 4.429 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)cc1Br ZINC000467164198 880895241 /nfs/dbraw/zinc/89/52/41/880895241.db2.gz XOVMVNFBYJUSLW-UHFFFAOYSA-N 0 0 402.607 4.472 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])Sc1ccc(Br)cc1 ZINC000467199083 880928267 /nfs/dbraw/zinc/92/82/67/880928267.db2.gz WPYUDYXCWBJWAD-JTQLQIEISA-N 0 0 413.268 4.407 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[nH]1 ZINC000467199660 880929778 /nfs/dbraw/zinc/92/97/78/880929778.db2.gz CNXYLRIABMRZIS-UHFFFAOYSA-N 0 0 410.455 4.105 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[nH]2)cccc1[N+](=O)[O-] ZINC000467209246 880937405 /nfs/dbraw/zinc/93/74/05/880937405.db2.gz ZCGGYUDFNOBDMX-CQSZACIVSA-N 0 0 424.482 4.494 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(COc2ccccc2)CC1 ZINC000467217066 880947374 /nfs/dbraw/zinc/94/73/74/880947374.db2.gz ZPNUACWJPKPQRE-UHFFFAOYSA-N 0 0 403.866 4.249 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000467222256 880951261 /nfs/dbraw/zinc/95/12/61/880951261.db2.gz IOPOBQMSBVKRCY-GOSISDBHSA-N 0 0 419.865 4.312 20 5 HIBDRN CCOC(=O)c1cc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)cc([N+](=O)[O-])c1 ZINC000467251305 880980456 /nfs/dbraw/zinc/98/04/56/880980456.db2.gz OUCKOCCCNRIIRC-UHFFFAOYSA-N 0 0 422.441 4.479 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(Cc1ccccc1Cl)CC1CC1 ZINC000503556823 912628551 /nfs/dbraw/zinc/62/85/51/912628551.db2.gz GHWRSWLVCLUEAA-UHFFFAOYSA-N 0 0 413.865 4.246 20 5 HIBDRN O=C(Nc1ccccc1Br)c1ccc(Br)cc1[N+](=O)[O-] ZINC000467292009 881038186 /nfs/dbraw/zinc/03/81/86/881038186.db2.gz YMIZDLPMKOWSGE-UHFFFAOYSA-N 0 0 400.026 4.372 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NC[C@]2(C)CCCS2)cc1[N+](=O)[O-])c1ccccn1 ZINC000467344852 881098918 /nfs/dbraw/zinc/09/89/18/881098918.db2.gz JDMNQQNAEGOEPC-VLIAUNLRSA-N 0 0 400.504 4.178 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467399340 881181874 /nfs/dbraw/zinc/18/18/74/881181874.db2.gz FLZDEUDCIAEKLC-UHFFFAOYSA-N 0 0 419.528 4.323 20 5 HIBDRN Cc1nn(CCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c(C)c1[N+](=O)[O-] ZINC000467497584 881314548 /nfs/dbraw/zinc/31/45/48/881314548.db2.gz YFCVMEDCLHFIHN-IBGZPJMESA-N 0 0 424.505 4.093 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000469145238 883241726 /nfs/dbraw/zinc/24/17/26/883241726.db2.gz ZKQHVNUJAWQKIM-OLZOCXBDSA-N 0 0 407.854 4.101 20 5 HIBDRN O=C(c1ccnc(Oc2ccc(F)cc2F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000469260490 883357613 /nfs/dbraw/zinc/35/76/13/883357613.db2.gz KFLQBLOOFZNGSZ-UHFFFAOYSA-N 0 0 411.364 4.259 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000469304818 883404198 /nfs/dbraw/zinc/40/41/98/883404198.db2.gz ZXJACRHJMMKOLC-RYUDHWBXSA-N 0 0 422.279 4.044 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000469304820 883404226 /nfs/dbraw/zinc/40/42/26/883404226.db2.gz ZXJACRHJMMKOLC-VXGBXAGGSA-N 0 0 422.279 4.044 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469399747 883560994 /nfs/dbraw/zinc/56/09/94/883560994.db2.gz LIGIPXVFPLKUKO-UHFFFAOYSA-N 0 0 408.426 4.050 20 5 HIBDRN Cc1sc(S(=O)(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000469401197 883566938 /nfs/dbraw/zinc/56/69/38/883566938.db2.gz DKLYVFTZHJUHEO-UHFFFAOYSA-N 0 0 414.455 4.111 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(OCC2CC2)c(F)c1 ZINC000469433077 883618815 /nfs/dbraw/zinc/61/88/15/883618815.db2.gz AKMFUILXIOWQNB-CQSZACIVSA-N 0 0 424.432 4.199 20 5 HIBDRN C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000469438390 883627404 /nfs/dbraw/zinc/62/74/04/883627404.db2.gz KBDACWVQPJUUNV-AWEZNQCLSA-N 0 0 424.432 4.199 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2ccc3c(c2)CC(C)(C)O3)cc1[N+](=O)[O-] ZINC000469448277 883646880 /nfs/dbraw/zinc/64/68/80/883646880.db2.gz MYBSBYQDYQNRKP-UHFFFAOYSA-N 0 0 402.472 4.189 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Br)c1F ZINC000469760981 883927210 /nfs/dbraw/zinc/92/72/10/883927210.db2.gz PEUDHAXLAVQUQS-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN O=C(Nc1cccc(C(F)F)c1Cl)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000469803079 883976708 /nfs/dbraw/zinc/97/67/08/883976708.db2.gz YYBUDGNKCVDUBO-UHFFFAOYSA-N 0 0 423.759 4.092 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000469886133 884078240 /nfs/dbraw/zinc/07/82/40/884078240.db2.gz YTNMYVCKENSJCV-UHFFFAOYSA-N 0 0 406.826 4.395 20 5 HIBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000469893319 884084270 /nfs/dbraw/zinc/08/42/70/884084270.db2.gz NGTAWGBNHPWGCE-UHFFFAOYSA-N 0 0 411.418 4.223 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)NC2CCC3(CCCCC3)CC2)cc1OC ZINC000469948707 884147726 /nfs/dbraw/zinc/14/77/26/884147726.db2.gz VNXDKZLGUPDGNG-UHFFFAOYSA-N 0 0 420.506 4.252 20 5 HIBDRN CCOc1cc(NC(=O)NCC2(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OCC ZINC000503716800 912808494 /nfs/dbraw/zinc/80/84/94/912808494.db2.gz MHHQWAOOJCNSJI-UHFFFAOYSA-N 0 0 417.437 4.385 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cccc(C)c2Br)cc([N+](=O)[O-])c1 ZINC000470056874 884306055 /nfs/dbraw/zinc/30/60/55/884306055.db2.gz RPYYFXKVLOSXTJ-UHFFFAOYSA-N 0 0 407.220 4.095 20 5 HIBDRN O=C(Nc1cc(F)ccc1OC(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000470104344 884363437 /nfs/dbraw/zinc/36/34/37/884363437.db2.gz RFRDKLOZSIWOER-UHFFFAOYSA-N 0 0 409.364 4.190 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)ccc2OC(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000470107640 884366826 /nfs/dbraw/zinc/36/68/26/884366826.db2.gz MKHZINBTDADSFE-UHFFFAOYSA-N 0 0 422.262 4.198 20 5 HIBDRN COc1ccc(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1Oc1ccc(C)nn1 ZINC000470146336 884412224 /nfs/dbraw/zinc/41/22/24/884412224.db2.gz HKWSASXSZTYJAW-UHFFFAOYSA-N 0 0 413.365 4.277 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000470154012 884425650 /nfs/dbraw/zinc/42/56/50/884425650.db2.gz BVDLRJMRWCYUBN-UHFFFAOYSA-N 0 0 410.499 4.312 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000470192989 884497176 /nfs/dbraw/zinc/49/71/76/884497176.db2.gz CAWQUNXETUKCPN-PEBVRCNWSA-N 0 0 409.895 4.099 20 5 HIBDRN COc1ccc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000503838731 912836813 /nfs/dbraw/zinc/83/68/13/912836813.db2.gz GQOLJQZMGMBZDB-SFHVURJKSA-N 0 0 411.845 4.366 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000503847919 912839999 /nfs/dbraw/zinc/83/99/99/912839999.db2.gz RZVOXOMBQMSTAH-ZDUSSCGKSA-N 0 0 406.841 4.393 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000470381430 884780237 /nfs/dbraw/zinc/78/02/37/884780237.db2.gz DCSZNEOMJRWMDR-GFCCVEGCSA-N 0 0 419.865 4.489 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C(C)C)c3ccccc32)cc1OC ZINC000470389086 884793012 /nfs/dbraw/zinc/79/30/12/884793012.db2.gz STMYANJRZUUZHS-QGZVFWFLSA-N 0 0 414.458 4.029 20 5 HIBDRN CCCc1c(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cnn1-c1ccccc1 ZINC000470428322 884830112 /nfs/dbraw/zinc/83/01/12/884830112.db2.gz LUMDJTGDUMIULD-UHFFFAOYSA-N 0 0 421.457 4.028 20 5 HIBDRN C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000470494675 884881533 /nfs/dbraw/zinc/88/15/33/884881533.db2.gz DJPNQFDTYTVULO-MRXNPFEDSA-N 0 0 405.458 4.129 20 5 HIBDRN O=C(Nc1ccc(-c2ccco2)cc1F)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000470533691 884934611 /nfs/dbraw/zinc/93/46/11/884934611.db2.gz VAQJOPBUNWPWGQ-UHFFFAOYSA-N 0 0 411.389 4.083 20 5 HIBDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000470618723 885043355 /nfs/dbraw/zinc/04/33/55/885043355.db2.gz LLRANDGCZKLUDL-KOLCDFICSA-N 0 0 413.318 4.215 20 5 HIBDRN O=C(Nc1ccccc1N1CCCCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470626860 885052606 /nfs/dbraw/zinc/05/26/06/885052606.db2.gz OEFPNAGTGPGVGU-UHFFFAOYSA-N 0 0 410.474 4.270 20 5 HIBDRN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000470630039 885056100 /nfs/dbraw/zinc/05/61/00/885056100.db2.gz XHLJHVHRKOKSCN-KNCOVGOOSA-N 0 0 413.440 4.490 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000470638760 885064081 /nfs/dbraw/zinc/06/40/81/885064081.db2.gz XOKLMRBGUHDSPL-UHFFFAOYSA-N 0 0 408.798 4.167 20 5 HIBDRN Cc1c(CC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cccc1[N+](=O)[O-] ZINC000470638793 885064189 /nfs/dbraw/zinc/06/41/89/885064189.db2.gz YCRPAGXSOMKFLC-UHFFFAOYSA-N 0 0 406.826 4.395 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)cc1SC ZINC000470655670 885078285 /nfs/dbraw/zinc/07/82/85/885078285.db2.gz JAHRFMNGTKETRY-UHFFFAOYSA-N 0 0 421.422 4.073 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000470674375 885104521 /nfs/dbraw/zinc/10/45/21/885104521.db2.gz UPZSOFPTHFXIPD-BXWFABGCSA-N 0 0 403.523 4.012 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000470677839 885109048 /nfs/dbraw/zinc/10/90/48/885109048.db2.gz HLHUJZTXBXQSNK-QAPCUYQASA-N 0 0 412.490 4.098 20 5 HIBDRN CSc1ccc(C(=O)N2CCC[C@H](OCc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000470690046 885125985 /nfs/dbraw/zinc/12/59/85/885125985.db2.gz PAUOBCRCRORNAY-INIZCTEOSA-N 0 0 404.463 4.277 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000470695461 885132994 /nfs/dbraw/zinc/13/29/94/885132994.db2.gz XPDLQTJREZWCBC-KRWDZBQOSA-N 0 0 404.463 4.034 20 5 HIBDRN C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](c2ccsc2)O1 ZINC000470696461 885134548 /nfs/dbraw/zinc/13/45/48/885134548.db2.gz XJIXCHMOIDJXPP-YVEFUNNKSA-N 0 0 415.496 4.382 20 5 HIBDRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470697456 885136657 /nfs/dbraw/zinc/13/66/57/885136657.db2.gz QWJKNUAZSYWYBE-UHFFFAOYSA-N 0 0 405.389 4.418 20 5 HIBDRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470698964 885138257 /nfs/dbraw/zinc/13/82/57/885138257.db2.gz KIYWCYRJKWRZNY-UHFFFAOYSA-N 0 0 407.405 4.118 20 5 HIBDRN Cc1cc(NC(=O)[C@H](C)Oc2cnc3ccccc3c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000470729199 885180051 /nfs/dbraw/zinc/18/00/51/885180051.db2.gz DMLAZLCBYCUFKJ-HNNXBMFYSA-N 0 0 417.425 4.043 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000470750184 885215128 /nfs/dbraw/zinc/21/51/28/885215128.db2.gz CHFOZOITMWHKDK-LLVKDONJSA-N 0 0 423.263 4.256 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000470824449 885312623 /nfs/dbraw/zinc/31/26/23/885312623.db2.gz GSOODQHUWOWELT-HNNXBMFYSA-N 0 0 411.458 4.260 20 5 HIBDRN O=C(Cc1csc2ccc(Br)cc12)NCc1ccccc1[N+](=O)[O-] ZINC000470830418 885320588 /nfs/dbraw/zinc/32/05/88/885320588.db2.gz HPHZDXQZRMMJBR-UHFFFAOYSA-N 0 0 405.273 4.431 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000470833381 885323813 /nfs/dbraw/zinc/32/38/13/885323813.db2.gz RXRHWQTYCCDHCF-SNVBAGLBSA-N 0 0 418.247 4.338 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCc1ccc(Br)cc1 ZINC000470890675 885386373 /nfs/dbraw/zinc/38/63/73/885386373.db2.gz WIEMDIFRQNTJSG-UHFFFAOYSA-N 0 0 407.264 4.071 20 5 HIBDRN O=C(Nc1cccc(OCc2ccccn2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000512373192 921114124 /nfs/dbraw/zinc/11/41/24/921114124.db2.gz HXYWVNCSJCCKEA-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN CO[C@@]1(C)CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000470905815 885410733 /nfs/dbraw/zinc/41/07/33/885410733.db2.gz JQEKQTBHWPKMNV-CTNGQTDRSA-N 0 0 417.893 4.429 20 5 HIBDRN CO[C@]1(C)CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000470905818 885410795 /nfs/dbraw/zinc/41/07/95/885410795.db2.gz JQEKQTBHWPKMNV-TZIWHRDSSA-N 0 0 417.893 4.429 20 5 HIBDRN COc1cc2[nH]c(CCCNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2c(OC)c1 ZINC000470911997 885420861 /nfs/dbraw/zinc/42/08/61/885420861.db2.gz BDXKAUQILXPCSB-UHFFFAOYSA-N 0 0 417.849 4.109 20 5 HIBDRN COc1cc(C(=O)NC2(c3c(Cl)cccc3Cl)CC2)c([N+](=O)[O-])cc1OC ZINC000470957558 885455176 /nfs/dbraw/zinc/45/51/76/885455176.db2.gz XHXSXXJTXJUWCX-UHFFFAOYSA-N 0 0 411.241 4.338 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000470973050 885472838 /nfs/dbraw/zinc/47/28/38/885472838.db2.gz CMJXRHQCYZBNLQ-UHFFFAOYSA-N 0 0 400.431 4.130 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)c1ccccc1Br ZINC000471051948 885565269 /nfs/dbraw/zinc/56/52/69/885565269.db2.gz DSDJVFGYGCYDSL-UHFFFAOYSA-N 0 0 421.291 4.464 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1ccc(F)cc1Br ZINC000471160447 885712679 /nfs/dbraw/zinc/71/26/79/885712679.db2.gz FXEKUUAMLMAOFY-UHFFFAOYSA-N 0 0 411.227 4.167 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1=CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000471160478 885712743 /nfs/dbraw/zinc/71/27/43/885712743.db2.gz MVRJULYLSKRJRO-UHFFFAOYSA-N 0 0 404.470 4.421 20 5 HIBDRN C[C@H](Oc1cnc2ccccc2c1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000471160955 885715034 /nfs/dbraw/zinc/71/50/34/885715034.db2.gz IUQLCKVRPMALCX-LBPRGKRZSA-N 0 0 419.359 4.246 20 5 HIBDRN Cc1csc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1I ZINC000471229092 885803392 /nfs/dbraw/zinc/80/33/92/885803392.db2.gz SJFIBSLQEQNKDM-UHFFFAOYSA-N 0 0 402.213 4.130 20 5 HIBDRN CC1(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000471237159 885813246 /nfs/dbraw/zinc/81/32/46/885813246.db2.gz UPXDYGKNWBGMMN-UHFFFAOYSA-N 0 0 404.470 4.296 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NCC)cc1C ZINC000504075481 912978647 /nfs/dbraw/zinc/97/86/47/912978647.db2.gz HSHLOXMXZGHHNH-UHFFFAOYSA-N 0 0 401.488 4.407 20 5 HIBDRN Cc1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)nn1-c1c(F)cccc1F ZINC000471323658 885916513 /nfs/dbraw/zinc/91/65/13/885916513.db2.gz QMHRQLMHCXASAE-UHFFFAOYSA-N 0 0 424.367 4.010 20 5 HIBDRN COC(=O)c1nc([C@H]2CCCN2C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])sc1C ZINC000471332910 885933204 /nfs/dbraw/zinc/93/32/04/885933204.db2.gz RTEZMRLQPFTBLO-GFCCVEGCSA-N 0 0 423.878 4.085 20 5 HIBDRN COCCC[C@H](Cc1ccccc1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000471338619 885944746 /nfs/dbraw/zinc/94/47/46/885944746.db2.gz WOQYWWQXEIBITR-QGZVFWFLSA-N 0 0 402.466 4.166 20 5 HIBDRN Cc1nnc(-c2cc(F)ccc2NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)o1 ZINC000471388717 886036134 /nfs/dbraw/zinc/03/61/34/886036134.db2.gz FIIHLALKPLQOPP-JTQLQIEISA-N 0 0 402.407 4.212 20 5 HIBDRN O=C(Nc1ccc(N2CCCCC2)c2ncccc12)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000471432918 886090480 /nfs/dbraw/zinc/09/04/80/886090480.db2.gz WCDAICWSMBRJJT-UHFFFAOYSA-N 0 0 420.425 4.114 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000471438883 886099338 /nfs/dbraw/zinc/09/93/38/886099338.db2.gz BIXPPXJAKKGHSR-WMLDXEAASA-N 0 0 407.239 4.101 20 5 HIBDRN CCOc1ccc(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)cc1[N+](=O)[O-] ZINC000471463835 886146388 /nfs/dbraw/zinc/14/63/88/886146388.db2.gz BOTUCBOUNYWLMG-UHFFFAOYSA-N 0 0 409.364 4.023 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 ZINC000471464573 886148590 /nfs/dbraw/zinc/14/85/90/886148590.db2.gz JMKIUCQPSSEOIC-UHFFFAOYSA-N 0 0 424.457 4.081 20 5 HIBDRN COc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2cc(F)ccc2OC)c1 ZINC000471472683 886166079 /nfs/dbraw/zinc/16/60/79/886166079.db2.gz UNNQRSQMQKXTAS-IBGZPJMESA-N 0 0 416.430 4.332 20 5 HIBDRN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2cc(Cl)ccc21 ZINC000471487973 886187259 /nfs/dbraw/zinc/18/72/59/886187259.db2.gz JZARBLIEYOKHFL-UHFFFAOYSA-N 0 0 410.655 4.107 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc([N+](=O)[O-])c1 ZINC000504107795 913018684 /nfs/dbraw/zinc/01/86/84/913018684.db2.gz JWXVNDZHBJRUDR-UHFFFAOYSA-N 0 0 414.748 4.279 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000471532486 886237285 /nfs/dbraw/zinc/23/72/85/886237285.db2.gz OHUBOLPRZHTUPZ-QRWLVFNGSA-N 0 0 418.515 4.367 20 5 HIBDRN Cc1c(Br)cc(C(=O)NCc2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000471544531 886251270 /nfs/dbraw/zinc/25/12/70/886251270.db2.gz ACCMOTHCYGTABY-UHFFFAOYSA-N 0 0 400.232 4.144 20 5 HIBDRN COc1cccc(-c2nnc(Sc3ccc([N+](=O)[O-])c(C)n3)n2Cc2ccco2)c1 ZINC000471618192 886335168 /nfs/dbraw/zinc/33/51/68/886335168.db2.gz JEZDLBDYRFWUNO-UHFFFAOYSA-N 0 0 423.454 4.358 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC000504127364 913032676 /nfs/dbraw/zinc/03/26/76/913032676.db2.gz GCLXNSBIAMOSIF-IAGOWNOFSA-N 0 0 420.469 4.360 20 5 HIBDRN COC(=O)C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccc2ccccc2c1 ZINC000471624138 886343356 /nfs/dbraw/zinc/34/33/56/886343356.db2.gz FSOUVTBWMXJGSP-QKKBWIMNSA-N 0 0 424.428 4.411 20 5 HIBDRN CO[C@H]1CC[C@@H](NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000471695673 886404352 /nfs/dbraw/zinc/40/43/52/886404352.db2.gz ZHRNXHWFRPHXFQ-CVEARBPZSA-N 0 0 403.866 4.158 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000471747347 886473963 /nfs/dbraw/zinc/47/39/63/886473963.db2.gz FRWJMAIBLFWNQM-UHFFFAOYSA-N 0 0 416.262 4.115 20 5 HIBDRN COc1ccc(CNC(=O)Nc2nn([C@H](C)c3ccccc3)cc2C)cc1[N+](=O)[O-] ZINC000471836643 886594907 /nfs/dbraw/zinc/59/49/07/886594907.db2.gz IYUWNJWNYBQUNB-OAHLLOKOSA-N 0 0 409.446 4.039 20 5 HIBDRN Cc1cc(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000471870504 886648692 /nfs/dbraw/zinc/64/86/92/886648692.db2.gz MRZVDXPIDLTVJA-IBGZPJMESA-N 0 0 417.874 4.020 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000471966294 886793315 /nfs/dbraw/zinc/79/33/15/886793315.db2.gz NPEXTWGZHQGKIP-FQEVSTJZSA-N 0 0 410.861 4.275 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000471966295 886794747 /nfs/dbraw/zinc/79/47/47/886794747.db2.gz NPEXTWGZHQGKIP-HXUWFJFHSA-N 0 0 410.861 4.275 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CC[C@H](COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000504201416 913082495 /nfs/dbraw/zinc/08/24/95/913082495.db2.gz JDOHBKFRIUIAQH-AWEZNQCLSA-N 0 0 419.275 4.207 20 5 HIBDRN CCc1ccc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1[N+](=O)[O-] ZINC000471985234 886813218 /nfs/dbraw/zinc/81/32/18/886813218.db2.gz RNDODMMFULUOCE-SFHVURJKSA-N 0 0 419.275 4.133 20 5 HIBDRN COc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000472039325 886857827 /nfs/dbraw/zinc/85/78/27/886857827.db2.gz SLDFXLOFKDYPCG-IBGZPJMESA-N 0 0 409.442 4.374 20 5 HIBDRN COCCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000472169352 886969358 /nfs/dbraw/zinc/96/93/58/886969358.db2.gz FOKJZRMNRUVODJ-QGZVFWFLSA-N 0 0 405.882 4.085 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000472177267 886976972 /nfs/dbraw/zinc/97/69/72/886976972.db2.gz VZZPJZWFHGKELI-XJKSGUPXSA-N 0 0 422.254 4.160 20 5 HIBDRN Cc1c(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] ZINC000472193645 886994459 /nfs/dbraw/zinc/99/44/59/886994459.db2.gz NFFYFAHXXZTLKZ-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN COc1cc(C(=O)NCCc2cccc(-c3ccccc3)c2)c([N+](=O)[O-])cc1OC ZINC000472202783 887003923 /nfs/dbraw/zinc/00/39/23/887003923.db2.gz BXFUEIOHMAOXLN-UHFFFAOYSA-N 0 0 406.438 4.252 20 5 HIBDRN Cc1sc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000504243336 913110496 /nfs/dbraw/zinc/11/04/96/913110496.db2.gz IFZTYTVFUGADKX-LBPRGKRZSA-N 0 0 410.455 4.103 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000472255177 887064215 /nfs/dbraw/zinc/06/42/15/887064215.db2.gz HEBSVKAABVVAQX-KRWDZBQOSA-N 0 0 410.417 4.473 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000472268131 887082900 /nfs/dbraw/zinc/08/29/00/887082900.db2.gz FIOSGLOGRKESDO-OAQYLSRUSA-N 0 0 410.861 4.351 20 5 HIBDRN Cc1cc2c(cc1C)[C@@H](C(=O)N(C)c1nc(-c3ccccc3[N+](=O)[O-])cs1)CO2 ZINC000472387372 887231285 /nfs/dbraw/zinc/23/12/85/887231285.db2.gz WLJNUZHLJBVOLZ-INIZCTEOSA-N 0 0 409.467 4.474 20 5 HIBDRN Cc1cc(-c2noc([C@@H](C)NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F ZINC000472394119 887241003 /nfs/dbraw/zinc/24/10/03/887241003.db2.gz AJUWETQMKLSYFA-SNVBAGLBSA-N 0 0 404.785 4.237 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)ccc1[N+](=O)[O-] ZINC000504281529 913135329 /nfs/dbraw/zinc/13/53/29/913135329.db2.gz NSCMEHQMEWJSBM-UHFFFAOYSA-N 0 0 411.439 4.235 20 5 HIBDRN COc1ccc(CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C(C)(C)C)c(OC)c1 ZINC000472492040 887358688 /nfs/dbraw/zinc/35/86/88/887358688.db2.gz BQTWDSKOSYXIFX-UHFFFAOYSA-N 0 0 402.447 4.062 20 5 HIBDRN COc1ccc(-c2cnc(CCC(=O)N3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)o2)cc1 ZINC000504286617 913140417 /nfs/dbraw/zinc/14/04/17/913140417.db2.gz RCEUCAXDTNYAGI-AWEZNQCLSA-N 0 0 407.426 4.169 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000472532671 887405867 /nfs/dbraw/zinc/40/58/67/887405867.db2.gz ZTVJLJQFVZTLCD-XJKSGUPXSA-N 0 0 422.254 4.194 20 5 HIBDRN CC(C)(C)C[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000472553943 887437690 /nfs/dbraw/zinc/43/76/90/887437690.db2.gz IJORYWQHVFWVRD-KRWDZBQOSA-N 0 0 405.401 4.105 20 5 HIBDRN CCCCN1CCc2ccc(NC(=O)c3cc(OCC)c(OC)cc3[N+](=O)[O-])cc21 ZINC000472603021 887474887 /nfs/dbraw/zinc/47/48/87/887474887.db2.gz BWXWRYFNGKKBRF-UHFFFAOYSA-N 0 0 413.474 4.417 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000472623634 887489921 /nfs/dbraw/zinc/48/99/21/887489921.db2.gz PDXMJXUDCFJHOT-UHFFFAOYSA-N 0 0 423.856 4.213 20 5 HIBDRN CCCCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H](CC)c1ccccc1 ZINC000472632636 887497532 /nfs/dbraw/zinc/49/75/32/887497532.db2.gz WQMNOUJICQPMPS-LJQANCHMSA-N 0 0 401.438 4.452 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000504311687 913160054 /nfs/dbraw/zinc/16/00/54/913160054.db2.gz QRESTEVPMBCZMV-GFCCVEGCSA-N 0 0 413.380 4.438 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NCC1(CCOCc2ccccc2)CC1 ZINC000472766659 887613253 /nfs/dbraw/zinc/61/32/53/887613253.db2.gz UMHFKBRJBHOTQG-UHFFFAOYSA-N 0 0 417.893 4.435 20 5 HIBDRN Cc1noc(CSc2ccc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)cc2)n1 ZINC000504318442 913165379 /nfs/dbraw/zinc/16/53/79/913165379.db2.gz MYYSTLNXOITUBM-GFCCVEGCSA-N 0 0 410.455 4.170 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)nn1CCCOc1ccc(F)cc1 ZINC000504323182 913166215 /nfs/dbraw/zinc/16/62/15/913166215.db2.gz AMRUGCDPIXYZDL-UHFFFAOYSA-N 0 0 412.421 4.269 20 5 HIBDRN C[C@H](Oc1ccc(Br)cc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000504323868 913166383 /nfs/dbraw/zinc/16/63/83/913166383.db2.gz FSZRMGGCQJZYSG-NEPJUHHUSA-N 0 0 405.248 4.102 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)OC(C)C ZINC000472820182 887663897 /nfs/dbraw/zinc/66/38/97/887663897.db2.gz ZHMHGBAIXOTMLX-YWZLYKJASA-N 0 0 401.463 4.130 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)n2)cc1F ZINC000473082746 887897532 /nfs/dbraw/zinc/89/75/32/887897532.db2.gz XXJCVXLANNTJIC-NSHDSACASA-N 0 0 409.377 4.065 20 5 HIBDRN CCCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000473207786 887983355 /nfs/dbraw/zinc/98/33/55/887983355.db2.gz LQSWQXXUWAKFEV-IBGZPJMESA-N 0 0 413.474 4.226 20 5 HIBDRN Cc1ccccc1-n1nc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c2c1CCC2 ZINC000504373105 913200473 /nfs/dbraw/zinc/20/04/73/913200473.db2.gz ZFPGJQQHOUKHTN-OAHLLOKOSA-N 0 0 402.454 4.169 20 5 HIBDRN COCCn1c(C)c(C)c2cc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)ccc21 ZINC000504381017 913206139 /nfs/dbraw/zinc/20/61/39/913206139.db2.gz IOLAGNRLFIHVOX-CQSZACIVSA-N 0 0 407.470 4.404 20 5 HIBDRN O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000473410261 888130216 /nfs/dbraw/zinc/13/02/16/888130216.db2.gz DGFZWRUNCUKYLU-INIZCTEOSA-N 0 0 421.457 4.076 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)cc1 ZINC000473520018 888253591 /nfs/dbraw/zinc/25/35/91/888253591.db2.gz HSMGLMDMGXWMGA-KRWDZBQOSA-N 0 0 419.485 4.490 20 5 HIBDRN COc1cc(CCNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000504407831 913225728 /nfs/dbraw/zinc/22/57/28/913225728.db2.gz IFPRHKKKKCZXGV-UXHICEINSA-N 0 0 420.465 4.228 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(CNc3nc4ccccc4cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000473526867 888263747 /nfs/dbraw/zinc/26/37/47/888263747.db2.gz SHZFQFOMKVIFCR-IYBDPMFKSA-N 0 0 420.469 4.005 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000473541918 888280504 /nfs/dbraw/zinc/28/05/04/888280504.db2.gz PLVAXNWXGNRIDQ-UHFFFAOYSA-N 0 0 414.421 4.239 20 5 HIBDRN 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ZINC000473781445 888587353 /nfs/dbraw/zinc/58/73/53/888587353.db2.gz DXJUZBNXCSILFA-UHFFFAOYSA-N 0 0 414.462 4.029 20 5 HIBDRN Cc1ccc(-n2cnnc2SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1Cl ZINC000473793640 888609871 /nfs/dbraw/zinc/60/98/71/888609871.db2.gz GUGKFRRKSNSXKK-UHFFFAOYSA-N 0 0 400.851 4.306 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1 ZINC000473843208 888687128 /nfs/dbraw/zinc/68/71/28/888687128.db2.gz MJQDZIXXRAZKPE-IBGZPJMESA-N 0 0 424.413 4.223 20 5 HIBDRN O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000473854115 888704889 /nfs/dbraw/zinc/70/48/89/888704889.db2.gz YDDPSDMJBFXQFZ-LJQANCHMSA-N 0 0 407.430 4.034 20 5 HIBDRN COc1cc(CCNC(=O)Nc2c(C)cccc2SC)c([N+](=O)[O-])cc1OC ZINC000473980224 888844109 /nfs/dbraw/zinc/84/41/09/888844109.db2.gz XJXXMRDFLAWFOO-UHFFFAOYSA-N 0 0 405.476 4.007 20 5 HIBDRN COc1ccc([C@@H]2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000504495172 913284909 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ZINC000474963916 889819957 /nfs/dbraw/zinc/81/99/57/889819957.db2.gz IKFSSANDZCPTJR-UHFFFAOYSA-N 0 0 411.458 4.227 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cnccc3OC(C)(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000504662373 913403039 /nfs/dbraw/zinc/40/30/39/913403039.db2.gz LAODATCOVRXKSN-UHFFFAOYSA-N 0 0 423.473 4.281 20 5 HIBDRN COC(=O)[C@H](CC(F)(F)F)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475146994 890015193 /nfs/dbraw/zinc/01/51/93/890015193.db2.gz AJMVYEBYYIJZDZ-ZDUSSCGKSA-N 0 0 406.744 4.092 20 5 HIBDRN NC(=O)c1ccc(CNc2ccccc2-c2cc(F)c(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000475157387 890020934 /nfs/dbraw/zinc/02/09/34/890020934.db2.gz QBTOYSKZRFMYTQ-UHFFFAOYSA-N 0 0 401.344 4.390 20 5 HIBDRN COc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c([N+](=O)[O-])cc1OC ZINC000475169901 890035842 /nfs/dbraw/zinc/03/58/42/890035842.db2.gz BXWUADOFCNFGQK-OAHLLOKOSA-N 0 0 411.414 4.121 20 5 HIBDRN Cn1cc(-c2cccc(CNC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c2)cn1 ZINC000475223423 890091630 /nfs/dbraw/zinc/09/16/30/890091630.db2.gz HDRXSEZBXXJCGL-UHFFFAOYSA-N 0 0 419.363 4.336 20 5 HIBDRN Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000475300094 890208419 /nfs/dbraw/zinc/20/84/19/890208419.db2.gz GICIFVQZGMQSBS-UHFFFAOYSA-N 0 0 403.236 4.032 20 5 HIBDRN Cc1cccc(-n2ncc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)c2C(F)(F)F)c1 ZINC000475317536 890234641 /nfs/dbraw/zinc/23/46/41/890234641.db2.gz NKILZZGAJFRBHF-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN COC(=O)c1nc([C@@H]2CCCN2C/C(C)=C/c2cccc([N+](=O)[O-])c2)sc1C ZINC000475331387 890250164 /nfs/dbraw/zinc/25/01/64/890250164.db2.gz LFPANCBCBWHLFF-RTGRKSDTSA-N 0 0 401.488 4.387 20 5 HIBDRN COc1cccc(N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1[N+](=O)[O-] ZINC000475432147 890351840 /nfs/dbraw/zinc/35/18/40/890351840.db2.gz XOLUVAFZTPIPSW-GOSISDBHSA-N 0 0 401.850 4.209 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000475546170 890471067 /nfs/dbraw/zinc/47/10/67/890471067.db2.gz GPVZFWGNSZLETC-UHFFFAOYSA-N 0 0 413.474 4.229 20 5 HIBDRN COc1ccc(C(=O)C2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cc1 ZINC000475549131 890474255 /nfs/dbraw/zinc/47/42/55/890474255.db2.gz DIZOALZAWRAORW-UHFFFAOYSA-N 0 0 411.458 4.347 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC000475558171 890486979 /nfs/dbraw/zinc/48/69/79/890486979.db2.gz DEWQLNRCQDCFSL-INIZCTEOSA-N 0 0 405.838 4.291 20 5 HIBDRN Cc1c(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cccc1N1C(=O)CNC1=O ZINC000475559784 890488503 /nfs/dbraw/zinc/48/85/03/890488503.db2.gz QLHBIGIGSQAQKS-UHFFFAOYSA-N 0 0 422.466 4.300 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000475577684 890508614 /nfs/dbraw/zinc/50/86/14/890508614.db2.gz GKWOBIVYHANDDL-UHFFFAOYSA-N 0 0 404.854 4.405 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000475581243 890510041 /nfs/dbraw/zinc/51/00/41/890510041.db2.gz FKOYEVWEASWOGE-UHFFFAOYSA-N 0 0 408.414 4.379 20 5 HIBDRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)ccc2NC1=O ZINC000475635584 890576197 /nfs/dbraw/zinc/57/61/97/890576197.db2.gz CAIMMSWDLIJQTB-UGSOOPFHSA-N 0 0 412.446 4.204 20 5 HIBDRN COc1ccc(C(C)(C)CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1OC ZINC000475641155 890582663 /nfs/dbraw/zinc/58/26/63/890582663.db2.gz QZNZBSUPLRIYHO-UHFFFAOYSA-N 0 0 401.463 4.328 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(O)(Cc3ccc(F)cc3)CC2)nc1-c1ccccc1 ZINC000475737699 890678854 /nfs/dbraw/zinc/67/88/54/890678854.db2.gz DRJMSZGHBBJKJZ-UHFFFAOYSA-N 0 0 407.445 4.370 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cscc1Br ZINC000504739718 913477174 /nfs/dbraw/zinc/47/71/74/913477174.db2.gz DWGSKJUYMAJYIA-UITAMQMPSA-N 0 0 404.245 4.073 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3OC)n2)cc1F ZINC000475783055 890725317 /nfs/dbraw/zinc/72/53/17/890725317.db2.gz UGPREVWOGBKMJO-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000475842814 890776529 /nfs/dbraw/zinc/77/65/29/890776529.db2.gz CIYMKAMTZSGHHE-UHFFFAOYSA-N 0 0 423.391 4.248 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000475853924 890788607 /nfs/dbraw/zinc/78/86/07/890788607.db2.gz XCSLBSBGKVDLMS-KRWDZBQOSA-N 0 0 423.238 4.019 20 5 HIBDRN CCSc1ccc([C@H](C)NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000504750948 913489830 /nfs/dbraw/zinc/48/98/30/913489830.db2.gz PXGFJYFMCOVHPG-ZDUSSCGKSA-N 0 0 411.487 4.087 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000475888715 890822216 /nfs/dbraw/zinc/82/22/16/890822216.db2.gz NOKNFYXYPHXXFN-HZSPNIEDSA-N 0 0 419.503 4.146 20 5 HIBDRN CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c1 ZINC000475893248 890825473 /nfs/dbraw/zinc/82/54/73/890825473.db2.gz VAYRWCQWSRGVKJ-UHFFFAOYSA-N 0 0 407.264 4.385 20 5 HIBDRN COc1cc(OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000475894514 890826799 /nfs/dbraw/zinc/82/67/99/890826799.db2.gz BRUHRCJNDXQFAG-UHFFFAOYSA-N 0 0 404.728 4.293 20 5 HIBDRN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cc1 ZINC000475896519 890828079 /nfs/dbraw/zinc/82/80/79/890828079.db2.gz CLXPWRWASULWHF-SFHVURJKSA-N 0 0 417.893 4.071 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCCCCc2ccc(F)c(F)c2)cc1OC ZINC000475943229 890865847 /nfs/dbraw/zinc/86/58/47/890865847.db2.gz WVFHKTLIQBWVBE-UHFFFAOYSA-N 0 0 408.401 4.033 20 5 HIBDRN CCOC(=O)[C@H](CC)S[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000475991173 890910343 /nfs/dbraw/zinc/91/03/43/890910343.db2.gz PSUMLTAQPSEYPL-ABAIWWIYSA-N 0 0 423.516 4.120 20 5 HIBDRN CCOC(=O)[C@@H](CC)S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000476000326 890926538 /nfs/dbraw/zinc/92/65/38/890926538.db2.gz TZYLQIYBVYMOGJ-NOZJJQNGSA-N 0 0 408.398 4.016 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(O)c(C(F)(F)F)c1 ZINC000476140390 891061930 /nfs/dbraw/zinc/06/19/30/891061930.db2.gz GKJVWQZIGMSZHI-UHFFFAOYSA-N 0 0 404.728 4.380 20 5 HIBDRN O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476154337 891079475 /nfs/dbraw/zinc/07/94/75/891079475.db2.gz MWMUFHQAESLJER-IRXDYDNUSA-N 0 0 420.494 4.234 20 5 HIBDRN Cn1c(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)ccc1[N+](=O)[O-] ZINC000504801030 913524468 /nfs/dbraw/zinc/52/44/68/913524468.db2.gz BVNRBTZXFWOUCK-UHFFFAOYSA-N 0 0 400.398 4.048 20 5 HIBDRN C[C@H](NC(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000476174265 891105581 /nfs/dbraw/zinc/10/55/81/891105581.db2.gz WHTYVYWZSCVFEX-BIENJYKASA-N 0 0 403.866 4.481 20 5 HIBDRN C[C@H](NC(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000476174272 891105641 /nfs/dbraw/zinc/10/56/41/891105641.db2.gz WHTYVYWZSCVFEX-TYILLQQXSA-N 0 0 403.866 4.481 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000476315757 891224713 /nfs/dbraw/zinc/22/47/13/891224713.db2.gz KKPXQRPYONFBKN-SFHVURJKSA-N 0 0 414.481 4.323 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000476345333 891248886 /nfs/dbraw/zinc/24/88/86/891248886.db2.gz AGUBTGRKONNZLU-IAGOWNOFSA-N 0 0 410.257 4.332 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000476345334 891249200 /nfs/dbraw/zinc/24/92/00/891249200.db2.gz AGUBTGRKONNZLU-IRXDYDNUSA-N 0 0 410.257 4.332 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000476561015 891478335 /nfs/dbraw/zinc/47/83/35/891478335.db2.gz AMQGAMZVILIUQK-SFHVURJKSA-N 0 0 403.504 4.023 20 5 HIBDRN CCCN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000476617085 891552994 /nfs/dbraw/zinc/55/29/94/891552994.db2.gz KIDJOUBWOCXPGY-QGZVFWFLSA-N 0 0 403.504 4.085 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@H]1C ZINC000476777290 891755075 /nfs/dbraw/zinc/75/50/75/891755075.db2.gz LHXCAGXEVUAKEY-KUHUBIRLSA-N 0 0 414.483 4.017 20 5 HIBDRN COC1(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCCCC1 ZINC000476818433 891803997 /nfs/dbraw/zinc/80/39/97/891803997.db2.gz DROHZMILPZLQTO-INIZCTEOSA-N 0 0 412.490 4.242 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000476838723 891815335 /nfs/dbraw/zinc/81/53/35/891815335.db2.gz VMHXYLLJUFAURF-UHFFFAOYSA-N 0 0 411.311 4.132 20 5 HIBDRN C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000476848599 891821793 /nfs/dbraw/zinc/82/17/93/891821793.db2.gz FEJQCVIQOXABCE-HIFRSBDPSA-N 0 0 422.407 4.253 20 5 HIBDRN Cc1[nH]nc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)c1[N+](=O)[O-] ZINC000476923397 891871357 /nfs/dbraw/zinc/87/13/57/891871357.db2.gz DBWGEWCQJOEUCF-UHFFFAOYSA-N 0 0 422.264 4.073 20 5 HIBDRN Cc1cc(C)n(Cc2cccc(-c3noc(COc4ccccc4[N+](=O)[O-])n3)c2)n1 ZINC000504873851 913601738 /nfs/dbraw/zinc/60/17/38/913601738.db2.gz ZSXDULAXHYSXDT-UHFFFAOYSA-N 0 0 405.414 4.085 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1ccc(-n2ccnc2)cc1 ZINC000477008886 891936821 /nfs/dbraw/zinc/93/68/21/891936821.db2.gz CALQOFXMKWCIIG-UHFFFAOYSA-N 0 0 410.455 4.012 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000477035135 891960372 /nfs/dbraw/zinc/96/03/72/891960372.db2.gz OXFJSTXWBAVBKI-QHCPKHFHSA-N 0 0 409.486 4.149 20 5 HIBDRN CCCN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504881390 913612433 /nfs/dbraw/zinc/61/24/33/913612433.db2.gz HQEKUHWYCDSLML-AWEZNQCLSA-N 0 0 402.426 4.395 20 5 HIBDRN O=C(Nc1cccc(C(=O)NCc2ccccc2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000477086489 892019981 /nfs/dbraw/zinc/01/99/81/892019981.db2.gz VGINBWQQKOIZDT-UHFFFAOYSA-N 0 0 414.421 4.258 20 5 HIBDRN COc1c(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)cccc1[N+](=O)[O-] ZINC000477094408 892027908 /nfs/dbraw/zinc/02/79/08/892027908.db2.gz ALIHKIPBSLKXAP-UHFFFAOYSA-N 0 0 420.347 4.275 20 5 HIBDRN O=C(Cc1cccs1)Nc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477124349 892053603 /nfs/dbraw/zinc/05/36/03/892053603.db2.gz 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C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(-n2cccn2)c(F)c1 ZINC000505176504 913864099 /nfs/dbraw/zinc/86/40/99/913864099.db2.gz KSFWOYGPCJILBW-CYBMUJFWSA-N 0 0 414.412 4.214 20 5 HIBDRN COc1ccc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000479120666 894389482 /nfs/dbraw/zinc/38/94/82/894389482.db2.gz KMZQSWNHOXQGFG-UHFFFAOYSA-N 0 0 408.863 4.488 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000479146008 894414793 /nfs/dbraw/zinc/41/47/93/894414793.db2.gz DSJFKZFHNYUERC-UHFFFAOYSA-N 0 0 411.650 4.364 20 5 HIBDRN CC(C)c1occc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000479174698 894443025 /nfs/dbraw/zinc/44/30/25/894443025.db2.gz YXFNWOMWLFRILS-UHFFFAOYSA-N 0 0 411.380 4.292 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)n1 ZINC000479179646 894447810 /nfs/dbraw/zinc/44/78/10/894447810.db2.gz IIHGIPLMOFPIRR-UHFFFAOYSA-N 0 0 403.744 4.296 20 5 HIBDRN Cc1cc(OCc2nc(Cc3cccc(Br)c3)no2)c(F)cc1[N+](=O)[O-] ZINC000479188982 894456683 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417.412 4.069 20 5 HIBDRN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000479289932 894571376 /nfs/dbraw/zinc/57/13/76/894571376.db2.gz WDRUPQZXLVKMRT-KRWDZBQOSA-N 0 0 418.518 4.289 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000479293312 894574003 /nfs/dbraw/zinc/57/40/03/894574003.db2.gz CYGJZKSVJOKVAZ-KRWDZBQOSA-N 0 0 413.232 4.183 20 5 HIBDRN CCCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000479342164 894636018 /nfs/dbraw/zinc/63/60/18/894636018.db2.gz ADMBPOUERSOMEK-LJQANCHMSA-N 0 0 405.458 4.105 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000479377845 894679186 /nfs/dbraw/zinc/67/91/86/894679186.db2.gz CXVJZBIWVBLDGH-UHFFFAOYSA-N 0 0 407.470 4.462 20 5 HIBDRN CCC(=O)c1ccc(NCc2cn3cc(Br)ccc3n2)c([N+](=O)[O-])c1 ZINC000479382640 894682767 /nfs/dbraw/zinc/68/27/67/894682767.db2.gz VNKIGNKOPJUAGW-UHFFFAOYSA-N 0 0 403.236 4.210 20 5 HIBDRN O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000479391464 894694123 /nfs/dbraw/zinc/69/41/23/894694123.db2.gz QGNXGBLVUGONOA-LJQANCHMSA-N 0 0 406.417 4.286 20 5 HIBDRN CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(C(=O)N2CC[C@H](C)[C@H]2CC)cc([N+](=O)[O-])c1 ZINC000479415133 894723743 /nfs/dbraw/zinc/72/37/43/894723743.db2.gz CPNDKSOAMOMSIY-HRYATBACSA-N 0 0 401.507 4.116 20 5 HIBDRN COc1cc(CNc2cccc(-n3cc(C(F)(F)F)cn3)c2)c([N+](=O)[O-])cc1O ZINC000479463781 894785539 /nfs/dbraw/zinc/78/55/39/894785539.db2.gz MOZWBEUOBZHITJ-UHFFFAOYSA-N 0 0 408.336 4.126 20 5 HIBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2)C1 ZINC000479479741 894802852 /nfs/dbraw/zinc/80/28/52/894802852.db2.gz ZGRMYCVPMXLPKW-SFHVURJKSA-N 0 0 423.391 4.016 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OC)c(O)c2)cc1 ZINC000479557738 894855413 /nfs/dbraw/zinc/85/54/13/894855413.db2.gz MCLGJJSJNOZGMT-UHFFFAOYSA-N 0 0 410.382 4.362 20 5 HIBDRN O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479581656 894870938 /nfs/dbraw/zinc/87/09/38/894870938.db2.gz RQBJFYUISNGTJA-UHFFFAOYSA-N 0 0 412.837 4.021 20 5 HIBDRN O=C(NC[C@H]1CCC2(CCCCC2)O1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000479588804 894874638 /nfs/dbraw/zinc/87/46/38/894874638.db2.gz HUCVHLIEXDTZLV-HXUWFJFHSA-N 0 0 417.506 4.030 20 5 HIBDRN O=C1CCc2cc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)ccc2N1CC1CC1 ZINC000479603044 894880419 /nfs/dbraw/zinc/88/04/19/894880419.db2.gz QGORFRAJFBDSSZ-UHFFFAOYSA-N 0 0 417.412 4.498 20 5 HIBDRN O=C(NCc1nc2c(s1)CCCC2)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000479636232 894901550 /nfs/dbraw/zinc/90/15/50/894901550.db2.gz DYKGAFDIDTVQCR-UHFFFAOYSA-N 0 0 422.510 4.472 20 5 HIBDRN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479643273 894912037 /nfs/dbraw/zinc/91/20/37/894912037.db2.gz VSQQKQTVCLSHMT-UHFFFAOYSA-N 0 0 405.241 4.360 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc([N+](=O)[O-])c1C ZINC000479655715 894928721 /nfs/dbraw/zinc/92/87/21/894928721.db2.gz ARNFHESDZXDCFC-UHFFFAOYSA-N 0 0 411.458 4.036 20 5 HIBDRN COc1cc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc([N+](=O)[O-])c1C ZINC000479661037 894936141 /nfs/dbraw/zinc/93/61/41/894936141.db2.gz SEFSSFMWBRBXRC-UHFFFAOYSA-N 0 0 404.835 4.336 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000479673358 894954297 /nfs/dbraw/zinc/95/42/97/894954297.db2.gz CRDKZCZBVUZMAK-AWEZNQCLSA-N 0 0 401.438 4.392 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)NCc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000479688933 894977107 /nfs/dbraw/zinc/97/71/07/894977107.db2.gz QMFBXUGXDIAXDU-CQSZACIVSA-N 0 0 409.446 4.076 20 5 HIBDRN Cc1c(Br)cccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479693785 894983374 /nfs/dbraw/zinc/98/33/74/894983374.db2.gz QOVPKVYFKIKBJB-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1c(CNC(=O)NCc2csc(CCc3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000479701902 894993618 /nfs/dbraw/zinc/99/36/18/894993618.db2.gz GPWOUEHWHUBWAN-UHFFFAOYSA-N 0 0 410.499 4.144 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479713220 895009076 /nfs/dbraw/zinc/00/90/76/895009076.db2.gz GREFDAMQRVQNHH-UHFFFAOYSA-N 0 0 408.748 4.288 20 5 HIBDRN COc1c(Cl)cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1Cl ZINC000479718920 895015913 /nfs/dbraw/zinc/01/59/13/895015913.db2.gz USGKWBURMWNTSM-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000479740066 895039802 /nfs/dbraw/zinc/03/98/02/895039802.db2.gz BTNFBSIGGBXJTB-QMMMGPOBSA-N 0 0 404.776 4.115 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000479770531 895071814 /nfs/dbraw/zinc/07/18/14/895071814.db2.gz MVJWCOZIXHHJHJ-OWQGQXMQSA-N 0 0 413.474 4.191 20 5 HIBDRN COCC[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000479779633 895083318 /nfs/dbraw/zinc/08/33/18/895083318.db2.gz CCROKAGEZQFPIX-SFHVURJKSA-N 0 0 415.490 4.240 20 5 HIBDRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000479784231 895086374 /nfs/dbraw/zinc/08/63/74/895086374.db2.gz XFCBDCBLCQPRBT-ZDUSSCGKSA-N 0 0 406.280 4.033 20 5 HIBDRN O=C(Nc1ccc(Oc2ccccn2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479786681 895088980 /nfs/dbraw/zinc/08/89/80/895088980.db2.gz SWCLIJFZPZNVOE-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000505277184 913933494 /nfs/dbraw/zinc/93/34/94/913933494.db2.gz NTTUJQREJJEJSG-LLVKDONJSA-N 0 0 404.385 4.196 20 5 HIBDRN COc1c(C(=O)Nc2nnc(SCc3cccs3)s2)cccc1[N+](=O)[O-] ZINC000479793558 895097136 /nfs/dbraw/zinc/09/71/36/895097136.db2.gz CMNLIEWQPSYSGK-UHFFFAOYSA-N 0 0 408.486 4.061 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cc(-c2cccnc2)ccc1C ZINC000479819507 895133836 /nfs/dbraw/zinc/13/38/36/895133836.db2.gz QPPUBGAPAWEZAT-HNNXBMFYSA-N 0 0 406.442 4.413 20 5 HIBDRN Cc1c(NC(=O)N(C)C)cccc1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000479832093 895155108 /nfs/dbraw/zinc/15/51/08/895155108.db2.gz SNOZOUKTDARNDI-CYBMUJFWSA-N 0 0 410.434 4.220 20 5 HIBDRN Cc1c(NC(=O)N(C)C)cccc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479837378 895162518 /nfs/dbraw/zinc/16/25/18/895162518.db2.gz MTEJJGHXSHOXEL-GFCCVEGCSA-N 0 0 419.869 4.089 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000479861242 895196753 /nfs/dbraw/zinc/19/67/53/895196753.db2.gz ITIJOPWDQNSIHW-UHFFFAOYSA-N 0 0 421.457 4.326 20 5 HIBDRN O=C(CN[C@@H](c1nccs1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479868064 895207384 /nfs/dbraw/zinc/20/73/84/895207384.db2.gz XWZCHFAOILEZTG-QGZVFWFLSA-N 0 0 402.863 4.022 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC000479986862 895339470 /nfs/dbraw/zinc/33/94/70/895339470.db2.gz JGBRNTDDYJUTBX-UHFFFAOYSA-N 0 0 416.459 4.059 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc([N+](=O)[O-])c1C ZINC000480039298 895388050 /nfs/dbraw/zinc/38/80/50/895388050.db2.gz NXQYDMWXIRKYGH-UHFFFAOYSA-N 0 0 404.329 4.152 20 5 HIBDRN Cc1c(CNC(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cccc1[N+](=O)[O-] ZINC000480057855 895405020 /nfs/dbraw/zinc/40/50/20/895405020.db2.gz HOCSVSIWNOHGQV-SFHVURJKSA-N 0 0 413.865 4.480 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cccc1[N+](=O)[O-] ZINC000480059658 895407037 /nfs/dbraw/zinc/40/70/37/895407037.db2.gz IIIXPVRAQJLMRI-OAHLLOKOSA-N 0 0 410.474 4.240 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000505305441 913965335 /nfs/dbraw/zinc/96/53/35/913965335.db2.gz TXQYGUGOSWGFEB-ZDUSSCGKSA-N 0 0 421.906 4.182 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@@H](C)CO2)c1 ZINC000480065180 895413117 /nfs/dbraw/zinc/41/31/17/895413117.db2.gz WLWWIJIYGLNMDY-FDDCHVKYSA-N 0 0 423.513 4.414 20 5 HIBDRN CCC(=O)c1ccc(N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c([N+](=O)[O-])c1 ZINC000480067594 895416503 /nfs/dbraw/zinc/41/65/03/895416503.db2.gz GMEDNIJEKFPJRP-LEWJYISDSA-N 0 0 417.893 4.325 20 5 HIBDRN Cc1c(CNC(=O)N(CCc2ccccc2)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000480073310 895424881 /nfs/dbraw/zinc/42/48/81/895424881.db2.gz UJOWMRLIUFOFHE-UHFFFAOYSA-N 0 0 404.470 4.253 20 5 HIBDRN COc1cc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000505307757 913968916 /nfs/dbraw/zinc/96/89/16/913968916.db2.gz ITRJMNJXKXDEFL-QGZVFWFLSA-N 0 0 408.414 4.021 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000505312975 913974660 /nfs/dbraw/zinc/97/46/60/913974660.db2.gz CLUKVINTKVORTK-LJQANCHMSA-N 0 0 417.425 4.494 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000480141797 895522901 /nfs/dbraw/zinc/52/29/01/895522901.db2.gz IKZBBRKWFMJHJC-UHFFFAOYSA-N 0 0 404.394 4.325 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCOc3c(F)cccc32)cc1SC ZINC000480225970 895631477 /nfs/dbraw/zinc/63/14/77/895631477.db2.gz FLLZLGYHGUOFBI-AWEZNQCLSA-N 0 0 406.435 4.108 20 5 HIBDRN CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)sc2C1 ZINC000480237433 895646385 /nfs/dbraw/zinc/64/63/85/895646385.db2.gz QFWZMIKUATUOSJ-LLVKDONJSA-N 0 0 417.487 4.226 20 5 HIBDRN CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000480317652 895720189 /nfs/dbraw/zinc/72/01/89/895720189.db2.gz XRZUIGJTMPBEDU-STQMWFEESA-N 0 0 418.416 4.119 20 5 HIBDRN CC[C@@H](N[C@H](c1nccn1C)c1cc(OC)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000480344046 895750012 /nfs/dbraw/zinc/75/00/12/895750012.db2.gz VLWGKKOGYWLZPI-RTWAWAEBSA-N 0 0 410.474 4.176 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000480356498 895762561 /nfs/dbraw/zinc/76/25/61/895762561.db2.gz MRLNUPPXIBHTPF-UHFFFAOYSA-N 0 0 410.257 4.097 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Sc2nc(-c3ccc(F)cc3)c[nH]2)c([N+](=O)[O-])c1 ZINC000480381295 895788445 /nfs/dbraw/zinc/78/84/45/895788445.db2.gz YZUYVUIGWGHDEW-UHFFFAOYSA-N 0 0 423.429 4.240 20 5 HIBDRN COc1cccc(C(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2cccc(OC)c2)c1 ZINC000480388274 895795503 /nfs/dbraw/zinc/79/55/03/895795503.db2.gz HEGFZHUZTMJWOP-UHFFFAOYSA-N 0 0 422.437 4.140 20 5 HIBDRN CCn1c(SCCC(=O)Nc2ccccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000480391237 895797564 /nfs/dbraw/zinc/79/75/64/895797564.db2.gz HQRLZNNGYZSJGB-UHFFFAOYSA-N 0 0 411.487 4.303 20 5 HIBDRN COc1ccc([C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000480400230 895804446 /nfs/dbraw/zinc/80/44/46/895804446.db2.gz BDODAMAAHKPAHE-FQEVSTJZSA-N 0 0 408.458 4.377 20 5 HIBDRN CC(C)[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000480434818 895827584 /nfs/dbraw/zinc/82/75/84/895827584.db2.gz RWHQOUJZTGEHMT-IBGZPJMESA-N 0 0 407.474 4.108 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC(C)C)CC1 ZINC000480436260 895828594 /nfs/dbraw/zinc/82/85/94/895828594.db2.gz OAZZQZOFWVLMED-UHFFFAOYSA-N 0 0 410.536 4.001 20 5 HIBDRN Cc1ccc(CN2CC[C@@H](NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000480471088 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ZINC000484687955 900125241 /nfs/dbraw/zinc/12/52/41/900125241.db2.gz HSFQOPAVGDPZSU-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(NC(=O)C2CC2)cc1 ZINC000484768212 900181817 /nfs/dbraw/zinc/18/18/17/900181817.db2.gz CFXBNAVCRMMSIC-NSHDSACASA-N 0 0 419.384 4.036 20 5 HIBDRN CC[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1ccccc1F ZINC000484824468 900226922 /nfs/dbraw/zinc/22/69/22/900226922.db2.gz VMDIRKZGWMASSK-MRXNPFEDSA-N 0 0 401.438 4.239 20 5 HIBDRN Cc1ccccc1CCc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n[nH]1 ZINC000484846787 900242999 /nfs/dbraw/zinc/24/29/99/900242999.db2.gz HADHVNPFZIXERL-UHFFFAOYSA-N 0 0 401.426 4.212 20 5 HIBDRN O=C(NCc1csc(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000484855766 900249184 /nfs/dbraw/zinc/24/91/84/900249184.db2.gz KSNQUNJAGUEGBE-UHFFFAOYSA-N 0 0 405.382 4.250 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1OC ZINC000484861610 900252669 /nfs/dbraw/zinc/25/26/69/900252669.db2.gz SZPUTVDFHLGWBX-HNNXBMFYSA-N 0 0 418.421 4.173 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)c3cnc4ccccc4n3)cc2[N+](=O)[O-])C1 ZINC000484888132 900272044 /nfs/dbraw/zinc/27/20/44/900272044.db2.gz OMLQVCKNALZAPN-IYBDPMFKSA-N 0 0 419.485 4.297 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000484890579 900274127 /nfs/dbraw/zinc/27/41/27/900274127.db2.gz OTDLEHJXKCPJRY-UHFFFAOYSA-N 0 0 414.748 4.263 20 5 HIBDRN CCSc1cccc(F)c1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000484920756 900295263 /nfs/dbraw/zinc/29/52/63/900295263.db2.gz GOBCBXUXIVXOLW-UHFFFAOYSA-N 0 0 419.434 4.173 20 5 HIBDRN COc1cc(C(=O)N2CCc3cc(-c4ccccc4)ccc32)c([N+](=O)[O-])cc1OC ZINC000484923602 900297591 /nfs/dbraw/zinc/29/75/91/900297591.db2.gz KIHNGBDDMPZVMQ-UHFFFAOYSA-N 0 0 404.422 4.482 20 5 HIBDRN C[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000485038593 900376250 /nfs/dbraw/zinc/37/62/50/900376250.db2.gz YWGBHFXKPXQVSS-QWHCGFSZSA-N 0 0 419.528 4.298 20 5 HIBDRN CCC(CC)C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000485176037 900472445 /nfs/dbraw/zinc/47/24/45/900472445.db2.gz VTKVGKFPHDOASC-UHFFFAOYSA-N 0 0 401.532 4.404 20 5 HIBDRN O=[N+]([O-])c1cnc(NCc2nn(-c3ccccc3)c3c2CCC3)c(Br)c1 ZINC000485176287 900473613 /nfs/dbraw/zinc/47/36/13/900473613.db2.gz BVISWLXXBSEXCJ-UHFFFAOYSA-N 0 0 414.263 4.039 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])o1)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC000485187766 900483904 /nfs/dbraw/zinc/48/39/04/900483904.db2.gz IFJCDIULCSDHOR-SNVBAGLBSA-N 0 0 424.226 4.109 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(-c2ccccc2OC)n1 ZINC000505782679 914448586 /nfs/dbraw/zinc/44/85/86/914448586.db2.gz NSGJTCDMWMFIIX-UHFFFAOYSA-N 0 0 413.459 4.143 20 5 HIBDRN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485226710 900512997 /nfs/dbraw/zinc/51/29/97/900512997.db2.gz YPXBKDROSNRYRJ-UGKGYDQZSA-N 0 0 409.486 4.437 20 5 HIBDRN COc1ccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1OC1CCCC1 ZINC000485252012 900537119 /nfs/dbraw/zinc/53/71/19/900537119.db2.gz FBXIUWGQSCLIQL-UHFFFAOYSA-N 0 0 423.469 4.196 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000485274441 900553969 /nfs/dbraw/zinc/55/39/69/900553969.db2.gz QPIKRRGONSMQBK-CYBMUJFWSA-N 0 0 421.425 4.043 20 5 HIBDRN CN(Cc1ccc(F)cc1)C(=O)CSc1ccc(Br)cc1[N+](=O)[O-] ZINC000485277817 900556512 /nfs/dbraw/zinc/55/65/12/900556512.db2.gz QMVYXGXIKDTQAT-UHFFFAOYSA-N 0 0 413.268 4.247 20 5 HIBDRN O=C(CSc1ccc(Br)cc1[N+](=O)[O-])Nc1cc(F)ccc1F ZINC000485279740 900558101 /nfs/dbraw/zinc/55/81/01/900558101.db2.gz ARBBEJGRNSHABK-UHFFFAOYSA-N 0 0 403.204 4.366 20 5 HIBDRN CS(=O)(=O)c1cccc(Oc2ccc(C(=O)Nc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000485300440 900578685 /nfs/dbraw/zinc/57/86/85/900578685.db2.gz ILYIDWHPOMGLLM-UHFFFAOYSA-N 0 0 412.423 4.043 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(=O)(=O)Cc1csc(-c2ccccn2)n1 ZINC000485345634 900636467 /nfs/dbraw/zinc/63/64/67/900636467.db2.gz KQYIMBDMCDTDJY-ZDUSSCGKSA-N 0 0 403.485 4.098 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000485383098 900678393 /nfs/dbraw/zinc/67/83/93/900678393.db2.gz UUZMHYUWHHLVOK-UHFFFAOYSA-N 0 0 412.427 4.389 20 5 HIBDRN O=C(NC1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1)c1ccccc1 ZINC000485404085 900702461 /nfs/dbraw/zinc/70/24/61/900702461.db2.gz XLSQIDJECMNNKR-UHFFFAOYSA-N 0 0 420.444 4.195 20 5 HIBDRN CCOC(=O)c1csc(CCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n1 ZINC000485414553 900712390 /nfs/dbraw/zinc/71/23/90/900712390.db2.gz XFAQNXFNIGCRDL-UHFFFAOYSA-N 0 0 416.434 4.084 20 5 HIBDRN COc1cccc([C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CCO2)c1 ZINC000485418389 900716738 /nfs/dbraw/zinc/71/67/38/900716738.db2.gz UZBGKWZINKNPFU-HXUWFJFHSA-N 0 0 409.417 4.382 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000485436545 900734170 /nfs/dbraw/zinc/73/41/70/900734170.db2.gz WXPYBHIKYUBFKN-GFCCVEGCSA-N 0 0 409.364 4.080 20 5 HIBDRN O=C(Cc1ccc(F)cc1Br)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000485465853 900760389 /nfs/dbraw/zinc/76/03/89/900760389.db2.gz VQJZOUZVHGOIEJ-UHFFFAOYSA-N 0 0 407.239 4.230 20 5 HIBDRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000485486484 900777651 /nfs/dbraw/zinc/77/76/51/900777651.db2.gz CUFXAVPREQKQMI-UHFFFAOYSA-N 0 0 418.349 4.113 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000485519191 900802703 /nfs/dbraw/zinc/80/27/03/900802703.db2.gz NHNVWCSUPBTLLN-NSHDSACASA-N 0 0 409.870 4.118 20 5 HIBDRN Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000485568034 900837844 /nfs/dbraw/zinc/83/78/44/900837844.db2.gz IHULHHVEGWYLPL-ZWKOTPCHSA-N 0 0 413.474 4.004 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000485589953 900852256 /nfs/dbraw/zinc/85/22/56/900852256.db2.gz HPKBJEAPRJZTPN-JLTOFOAXSA-N 0 0 411.845 4.316 20 5 HIBDRN COc1cc(C(=O)N(c2ccc(Br)cn2)C(C)C)cc([N+](=O)[O-])c1C ZINC000485592719 900854802 /nfs/dbraw/zinc/85/48/02/900854802.db2.gz QJOGQOZXUAZQED-UHFFFAOYSA-N 0 0 408.252 4.125 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cc([N+](=O)[O-])c1OC ZINC000485599102 900859795 /nfs/dbraw/zinc/85/97/95/900859795.db2.gz YRNQTDICWZSFLG-QRVBRYPASA-N 0 0 410.470 4.410 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(c2c(F)cccc2F)CC1 ZINC000485612471 900869769 /nfs/dbraw/zinc/86/97/69/900869769.db2.gz UPUPJESSRRHSFB-UHFFFAOYSA-N 0 0 412.396 4.079 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(c2c(F)cccc2F)CC1 ZINC000485619474 900874842 /nfs/dbraw/zinc/87/48/42/900874842.db2.gz IVVDQEZLBAZSJD-UHFFFAOYSA-N 0 0 412.396 4.079 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccnc(OCc2ccccc2)c1 ZINC000485626882 900880943 /nfs/dbraw/zinc/88/09/43/900880943.db2.gz DBRKWJPWWBZZMG-UHFFFAOYSA-N 0 0 406.442 4.275 20 5 HIBDRN Cn1cc(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485637201 900890308 /nfs/dbraw/zinc/89/03/08/900890308.db2.gz RWWMSBYVCYPLDY-QGZVFWFLSA-N 0 0 418.375 4.071 20 5 HIBDRN CC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000485644967 900896308 /nfs/dbraw/zinc/89/63/08/900896308.db2.gz UCNWPNNDOUPRTC-AWEZNQCLSA-N 0 0 411.227 4.143 20 5 HIBDRN CCOC(=O)C(C)(C)N(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000485659058 900910275 /nfs/dbraw/zinc/91/02/75/900910275.db2.gz XBTZZOVONHHAEW-UHFFFAOYSA-N 0 0 420.849 4.454 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@@H](C4CC4)C3)o2)c(Br)c1 ZINC000485691519 900942729 /nfs/dbraw/zinc/94/27/29/900942729.db2.gz COQHQYLUFVQKMF-GOSISDBHSA-N 0 0 407.264 4.228 20 5 HIBDRN C[C@@H]1CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])c2cccc(Cl)c2O1 ZINC000485697598 900947453 /nfs/dbraw/zinc/94/74/53/900947453.db2.gz PZYZLOMRFVOUJQ-SSDOTTSWSA-N 0 0 417.668 4.500 20 5 HIBDRN Cc1ccc(-n2cccn2)cc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485716937 900965431 /nfs/dbraw/zinc/96/54/31/900965431.db2.gz MOJBTSMUICWGBF-UHFFFAOYSA-N 0 0 407.249 4.165 20 5 HIBDRN O=C(NCCc1cc(F)ccc1F)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485725033 900975677 /nfs/dbraw/zinc/97/56/77/900975677.db2.gz NBDAYOWFXJKTFG-UHFFFAOYSA-N 0 0 412.392 4.425 20 5 HIBDRN CSc1cccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)c1[N+](=O)[O-] ZINC000485729871 900982057 /nfs/dbraw/zinc/98/20/57/900982057.db2.gz DHBQZPDRJBJYGD-UHFFFAOYSA-N 0 0 419.890 4.458 20 5 HIBDRN CSc1cccc(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1[N+](=O)[O-] ZINC000485737120 900990500 /nfs/dbraw/zinc/99/05/00/900990500.db2.gz WOGGNSFBTFPTSP-GFCCVEGCSA-N 0 0 414.462 4.441 20 5 HIBDRN O=C(NC1(Cc2cccc(F)c2)CCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000485766014 901022760 /nfs/dbraw/zinc/02/27/60/901022760.db2.gz ZEMUCLKYSLZDAM-UHFFFAOYSA-N 0 0 413.268 4.453 20 5 HIBDRN CCOc1cc(C(=O)N(Cc2c(F)cccc2F)C2CC2)c([N+](=O)[O-])cc1OC ZINC000485766957 901023374 /nfs/dbraw/zinc/02/33/74/901023374.db2.gz BVBJSZHSKPAQDX-UHFFFAOYSA-N 0 0 406.385 4.085 20 5 HIBDRN COc1cc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] ZINC000485770261 901027752 /nfs/dbraw/zinc/02/77/52/901027752.db2.gz JEGSQIMCTKTDEQ-UHFFFAOYSA-N 0 0 424.526 4.045 20 5 HIBDRN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000505851513 914499417 /nfs/dbraw/zinc/49/94/17/914499417.db2.gz NHGLCBRIUGSOOD-UHFFFAOYSA-N 0 0 403.744 4.240 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)c1 ZINC000485860088 901101757 /nfs/dbraw/zinc/10/17/57/901101757.db2.gz CDWAHEUTDCYVBF-UHFFFAOYSA-N 0 0 400.822 4.312 20 5 HIBDRN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000485867239 901106981 /nfs/dbraw/zinc/10/69/81/901106981.db2.gz FYIDXDXWWXRWJG-MRXNPFEDSA-N 0 0 416.499 4.147 20 5 HIBDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000485881719 901118042 /nfs/dbraw/zinc/11/80/42/901118042.db2.gz GRQUGEMVHRKEQL-SNVBAGLBSA-N 0 0 410.293 4.152 20 5 HIBDRN O=[N+]([O-])c1c(Nc2ccc3nc(N4CCOCC4)sc3c2)ccc2ncccc21 ZINC000485893083 901125534 /nfs/dbraw/zinc/12/55/34/901125534.db2.gz OPOPMYDBFBDAHJ-UHFFFAOYSA-N 0 0 407.455 4.333 20 5 HIBDRN COc1cc(Cl)c(Cl)cc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000485901104 901130503 /nfs/dbraw/zinc/13/05/03/901130503.db2.gz XVXKFIQCPKHTCQ-UHFFFAOYSA-N 0 0 401.202 4.180 20 5 HIBDRN O=C(NCCc1cccc(F)c1F)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485942640 901162531 /nfs/dbraw/zinc/16/25/31/901162531.db2.gz RMXFMKTXDBCPQM-UHFFFAOYSA-N 0 0 412.392 4.425 20 5 HIBDRN COc1ccccc1C(C)(C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000485946159 901165807 /nfs/dbraw/zinc/16/58/07/901165807.db2.gz TUOSUOGDKZNGDS-UHFFFAOYSA-N 0 0 422.485 4.130 20 5 HIBDRN COc1cc(CNc2ccc(Oc3cccc(F)c3F)nc2)c([N+](=O)[O-])cc1O ZINC000485961096 901179168 /nfs/dbraw/zinc/17/91/68/901179168.db2.gz AIRHAYUOCXLXLI-UHFFFAOYSA-N 0 0 403.341 4.387 20 5 HIBDRN COC(=O)c1cc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000485975939 901193057 /nfs/dbraw/zinc/19/30/57/901193057.db2.gz GFNHLCKOBCSMCO-CQSZACIVSA-N 0 0 410.348 4.365 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2ccnc(OC3CCCCC3)c2)c(C)c([N+](=O)[O-])c1 ZINC000485986543 901205615 /nfs/dbraw/zinc/20/56/15/901205615.db2.gz DKTBAPBETOGGLA-UHFFFAOYSA-N 0 0 413.430 4.049 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cncc(-c3ccc(C)cc3)c2)c(C)c([N+](=O)[O-])c1 ZINC000485990514 901208524 /nfs/dbraw/zinc/20/85/24/901208524.db2.gz NKOZLAOSFMOBGH-UHFFFAOYSA-N 0 0 405.410 4.313 20 5 HIBDRN COc1cc(CCNC(=O)C[C@H]2C[C@@H](C)c3c2cccc3C)c([N+](=O)[O-])cc1OC ZINC000486042779 901243230 /nfs/dbraw/zinc/24/32/30/901243230.db2.gz VCRQQMXYQFEJJG-NVXWUHKLSA-N 0 0 412.486 4.260 20 5 HIBDRN CC(C)(C)OCc1cc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)no1 ZINC000486053758 901251281 /nfs/dbraw/zinc/25/12/81/901251281.db2.gz MNLKYPJRYSAYER-UHFFFAOYSA-N 0 0 412.446 4.484 20 5 HIBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000486128186 901314932 /nfs/dbraw/zinc/31/49/32/901314932.db2.gz XVNATEIEAVEFRL-UHFFFAOYSA-N 0 0 413.474 4.240 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000486144048 901331794 /nfs/dbraw/zinc/33/17/94/901331794.db2.gz HZCCWQQRJQWKPN-UHFFFAOYSA-N 0 0 410.257 4.393 20 5 HIBDRN CN(CC(=O)Nc1c(Cl)cccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486159446 901347844 /nfs/dbraw/zinc/34/78/44/901347844.db2.gz SNKDAOOXRXXCDV-UHFFFAOYSA-N 0 0 422.228 4.027 20 5 HIBDRN O=C(NCc1nc2ccccc2n1C1CC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486164181 901351897 /nfs/dbraw/zinc/35/18/97/901351897.db2.gz KKWLKXFKPZYLAB-UHFFFAOYSA-N 0 0 421.276 4.033 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000486170742 901357358 /nfs/dbraw/zinc/35/73/58/901357358.db2.gz MDINRJZFGTZRIL-UHFFFAOYSA-N 0 0 414.849 4.220 20 5 HIBDRN COC(=O)c1cc(NCC(=O)Nc2ccc(Cl)cc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000486222684 901405084 /nfs/dbraw/zinc/40/50/84/901405084.db2.gz XAAXEPVUFMVYJP-UHFFFAOYSA-N 0 0 412.229 4.047 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1[N+](=O)[O-] ZINC000486224045 901407448 /nfs/dbraw/zinc/40/74/48/901407448.db2.gz KOJPGNYJTQDTRE-CYBMUJFWSA-N 0 0 405.451 4.299 20 5 HIBDRN COC(=O)c1c(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2)ccc1Br ZINC000486224826 901408519 /nfs/dbraw/zinc/40/85/19/901408519.db2.gz KVVMDCNPLVMXMA-UHFFFAOYSA-N 0 0 409.236 4.073 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccccc2Sc2nccn2C)c1[N+](=O)[O-] ZINC000486247859 901431327 /nfs/dbraw/zinc/43/13/27/901431327.db2.gz BDTGPIOIZVCBNR-UHFFFAOYSA-N 0 0 400.485 4.454 20 5 HIBDRN Cc1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000486315545 901493399 /nfs/dbraw/zinc/49/33/99/901493399.db2.gz GGRQTPVMOWFABG-UHFFFAOYSA-N 0 0 407.249 4.165 20 5 HIBDRN COC(=O)C1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000505899723 914540872 /nfs/dbraw/zinc/54/08/72/914540872.db2.gz ZWZMRMJXXCUNFO-UHFFFAOYSA-N 0 0 404.850 4.426 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n(-c2ccccc2C)n1 ZINC000486328641 901506372 /nfs/dbraw/zinc/50/63/72/901506372.db2.gz UXMUSTVCAPSDRT-UHFFFAOYSA-N 0 0 405.458 4.250 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000486344589 901517280 /nfs/dbraw/zinc/51/72/80/901517280.db2.gz LYMWBUXVKGRXRD-CYBMUJFWSA-N 0 0 421.881 4.177 20 5 HIBDRN CC(C)(C)[C@H]1C[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCO1 ZINC000486423899 901582587 /nfs/dbraw/zinc/58/25/87/901582587.db2.gz KYYDWSFXKISTLX-LAUBAEHRSA-N 0 0 412.486 4.497 20 5 HIBDRN C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000486506361 901657463 /nfs/dbraw/zinc/65/74/63/901657463.db2.gz QOUSLFDBYXFVSR-LBPRGKRZSA-N 0 0 422.466 4.094 20 5 HIBDRN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2)cc1 ZINC000486613617 901748972 /nfs/dbraw/zinc/74/89/72/901748972.db2.gz AAMOHRVDOFOWHQ-UHFFFAOYSA-N 0 0 420.425 4.080 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Br)c1F ZINC000486690884 901797268 /nfs/dbraw/zinc/79/72/68/901797268.db2.gz NHSHFODYJCEYGV-UHFFFAOYSA-N 0 0 421.144 4.445 20 5 HIBDRN COc1ccc(OCCCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000486696471 901799935 /nfs/dbraw/zinc/79/99/35/901799935.db2.gz JHKGCHBMIQWVAJ-UHFFFAOYSA-N 0 0 412.364 4.098 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000486712493 901807679 /nfs/dbraw/zinc/80/76/79/901807679.db2.gz UHGHNBPEEGUZLO-QWHCGFSZSA-N 0 0 400.303 4.312 20 5 HIBDRN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000486729697 901817869 /nfs/dbraw/zinc/81/78/69/901817869.db2.gz LYZDPFTYIHJQSG-APPDUMDISA-N 0 0 421.375 4.138 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1sccc1Br ZINC000486734195 901820367 /nfs/dbraw/zinc/82/03/67/901820367.db2.gz HAKQZWPYOOSVHJ-UHFFFAOYSA-N 0 0 409.183 4.368 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000486773553 901844988 /nfs/dbraw/zinc/84/49/88/901844988.db2.gz MPNJOXXQJXXZLQ-CQSZACIVSA-N 0 0 407.239 4.055 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000486798747 901860830 /nfs/dbraw/zinc/86/08/30/901860830.db2.gz SVCNVRNERPFESD-OAHLLOKOSA-N 0 0 403.479 4.245 20 5 HIBDRN Cc1ccnc(-c2n[nH]c([C@H](C)NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)c1 ZINC000486807331 901865614 /nfs/dbraw/zinc/86/56/14/901865614.db2.gz DQPHSMRYFXOEKO-AWEZNQCLSA-N 0 0 404.430 4.194 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000486821507 901875115 /nfs/dbraw/zinc/87/51/15/901875115.db2.gz SEEMZRAHXRHRKG-VBKZILBWSA-N 0 0 411.845 4.316 20 5 HIBDRN Cc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(OCc2ccccc2)c1 ZINC000486848325 901894100 /nfs/dbraw/zinc/89/41/00/901894100.db2.gz VQHKMGQMZYEKGR-UHFFFAOYSA-N 0 0 406.394 4.463 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nnc2ccccn21 ZINC000486850639 901896805 /nfs/dbraw/zinc/89/68/05/901896805.db2.gz PIYRZFRLKYLQKK-CQSZACIVSA-N 0 0 419.466 4.280 20 5 HIBDRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000486851879 901898120 /nfs/dbraw/zinc/89/81/20/901898120.db2.gz MRJAOBAMNOOCCG-UHFFFAOYSA-N 0 0 420.853 4.317 20 5 HIBDRN COC(=O)c1cc(NC(=O)NCc2ccc(C)cc2SC)c(C)c([N+](=O)[O-])c1 ZINC000486856354 901902418 /nfs/dbraw/zinc/90/24/18/901902418.db2.gz IZRLJWDNUCPTKR-UHFFFAOYSA-N 0 0 403.460 4.042 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c(C)c([N+](=O)[O-])c1 ZINC000486860828 901904938 /nfs/dbraw/zinc/90/49/38/901904938.db2.gz WQVNYZFKFDNUDV-LBPRGKRZSA-N 0 0 419.865 4.438 20 5 HIBDRN NC(=O)Nc1cccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000486859259 901905334 /nfs/dbraw/zinc/90/53/34/901905334.db2.gz QTQGJGZQHQLETL-UHFFFAOYSA-N 0 0 408.439 4.489 20 5 HIBDRN CCN(Cc1c(F)cccc1F)C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000505926500 914575686 /nfs/dbraw/zinc/57/56/86/914575686.db2.gz HXAIKZXPQYAKEA-UHFFFAOYSA-N 0 0 410.442 4.164 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H]2CCSc3ccccc32)c(C)c([N+](=O)[O-])c1 ZINC000486865894 901911293 /nfs/dbraw/zinc/91/12/93/901911293.db2.gz HJXZKRMPDPWVMQ-AWEZNQCLSA-N 0 0 401.444 4.048 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c(C)c([N+](=O)[O-])c1 ZINC000486868585 901914246 /nfs/dbraw/zinc/91/42/46/901914246.db2.gz ORDHUMAAZKQMHP-LLVKDONJSA-N 0 0 407.373 4.193 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(Cc2cccc(F)c2)C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000486874962 901919955 /nfs/dbraw/zinc/91/99/55/901919955.db2.gz ROVPGESUICCASG-UHFFFAOYSA-N 0 0 403.410 4.271 20 5 HIBDRN COC(=O)c1cc(NC(=O)NCC[C@@H](C)c2ccc(OC)cc2)c(C)c([N+](=O)[O-])c1 ZINC000486876098 901920681 /nfs/dbraw/zinc/92/06/81/901920681.db2.gz BSZIJKLACHQCSB-CYBMUJFWSA-N 0 0 415.446 4.014 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(C)[C@H](C)c2c(F)cccc2F)c(C)c([N+](=O)[O-])c1 ZINC000486895360 901939214 /nfs/dbraw/zinc/93/92/14/901939214.db2.gz IVPHLXYIFFJLSI-LLVKDONJSA-N 0 0 407.373 4.193 20 5 HIBDRN Cc1nc(-c2ccc(C)cc2NC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)n[nH]1 ZINC000486912133 901958743 /nfs/dbraw/zinc/95/87/43/901958743.db2.gz PFADBMGFFUDQQD-UHFFFAOYSA-N 0 0 417.425 4.167 20 5 HIBDRN O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000486921958 901964486 /nfs/dbraw/zinc/96/44/86/901964486.db2.gz TWMQGPDUUDALBQ-UHFFFAOYSA-N 0 0 400.378 4.111 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(N3CCO[C@@H](c4cccc(C(F)(F)F)c4)C3)n2)cc1 ZINC000486958736 901990695 /nfs/dbraw/zinc/99/06/95/901990695.db2.gz UWYGQJKDSIJDGG-MRXNPFEDSA-N 0 0 420.347 4.242 20 5 HIBDRN Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000486959031 901991023 /nfs/dbraw/zinc/99/10/23/901991023.db2.gz UTZOOSOUFULKJK-LJQANCHMSA-N 0 0 408.483 4.287 20 5 HIBDRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000486991805 902005878 /nfs/dbraw/zinc/00/58/78/902005878.db2.gz BRGSBQFDDPAHEI-GFCCVEGCSA-N 0 0 411.289 4.140 20 5 HIBDRN CCOc1cc(NC(=O)c2cnc(OCC)c(Cl)c2)c([N+](=O)[O-])cc1OCC ZINC000486992742 902006873 /nfs/dbraw/zinc/00/68/73/902006873.db2.gz BMVKTKHDUAPLPK-UHFFFAOYSA-N 0 0 409.826 4.092 20 5 HIBDRN O=C([C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487008792 902012614 /nfs/dbraw/zinc/01/26/14/902012614.db2.gz UONKIFZJIYDDFL-KBPBESRZSA-N 0 0 409.273 4.065 20 5 HIBDRN Cc1ccc(OCc2ccc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)o2)c(C)c1 ZINC000487023493 902022726 /nfs/dbraw/zinc/02/27/26/902022726.db2.gz SCOFLDUVVQDDTE-UHFFFAOYSA-N 0 0 424.457 4.057 20 5 HIBDRN Cc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Sc2ccccc2)n1 ZINC000487056899 902040316 /nfs/dbraw/zinc/04/03/16/902040316.db2.gz JWNLAZZJGBDRLZ-UHFFFAOYSA-N 0 0 423.498 4.123 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487084254 902050434 /nfs/dbraw/zinc/05/04/34/902050434.db2.gz MUEIHFDZUFETOL-UHFFFAOYSA-N 0 0 408.483 4.420 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1c[nH]c2ccccc12 ZINC000487093137 902055265 /nfs/dbraw/zinc/05/52/65/902055265.db2.gz LVMLELCTJBQORP-UHFFFAOYSA-N 0 0 413.499 4.177 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCO[C@H](C2CC2)C1 ZINC000487307652 902145516 /nfs/dbraw/zinc/14/55/16/902145516.db2.gz JJXPRNNMNJPTGK-IBGZPJMESA-N 0 0 402.834 4.292 20 5 HIBDRN Cc1ccnc(Oc2cc(NCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)ccc2C)c1 ZINC000487371455 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404.398 4.460 20 5 HIBDRN O=C(CCCc1ccccc1)N[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487751217 902339615 /nfs/dbraw/zinc/33/96/15/902339615.db2.gz NZHXPZZGLCWDIH-IBGZPJMESA-N 0 0 418.497 4.251 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2ncccc2F)CC1 ZINC000487761677 902348086 /nfs/dbraw/zinc/34/80/86/902348086.db2.gz JFHQETMUSDJYQN-UHFFFAOYSA-N 0 0 419.478 4.313 20 5 HIBDRN COc1cccc(-c2nc(Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)cs2)c1OC ZINC000487911543 902446214 /nfs/dbraw/zinc/44/62/14/902446214.db2.gz MLYXRXMPOSUOPA-UHFFFAOYSA-N 0 0 423.450 4.099 20 5 HIBDRN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000487917612 902449672 /nfs/dbraw/zinc/44/96/72/902449672.db2.gz KZPTXULNPFPGRP-NSHDSACASA-N 0 0 420.252 4.094 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCCC2(CCOCC2)C1 ZINC000487915578 902449772 /nfs/dbraw/zinc/44/97/72/902449772.db2.gz PGWILRRVODDIAS-UHFFFAOYSA-N 0 0 409.486 4.240 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000487981008 902502537 /nfs/dbraw/zinc/50/25/37/902502537.db2.gz MPNSXCIRCRRJLK-HNNXBMFYSA-N 0 0 416.499 4.111 20 5 HIBDRN CC(C)Oc1cccc(CN(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000487990898 902514283 /nfs/dbraw/zinc/51/42/83/902514283.db2.gz IAFYDYMDWGMVKP-UHFFFAOYSA-N 0 0 405.882 4.420 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC(F)F ZINC000487996196 902518261 /nfs/dbraw/zinc/51/82/61/902518261.db2.gz CGXYQZOYWJWAHS-NSHDSACASA-N 0 0 410.373 4.013 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000488011905 902533179 /nfs/dbraw/zinc/53/31/79/902533179.db2.gz ZONQAZZBLOTNIT-MNOVXSKESA-N 0 0 413.400 4.092 20 5 HIBDRN CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000488037252 902555311 /nfs/dbraw/zinc/55/53/11/902555311.db2.gz DKISEZBKISOAQL-UGSOOPFHSA-N 0 0 403.866 4.001 20 5 HIBDRN CCOc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000488042344 902557881 /nfs/dbraw/zinc/55/78/81/902557881.db2.gz KTRLYCBPKNHFIC-HNNXBMFYSA-N 0 0 424.457 4.162 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000488055884 902569900 /nfs/dbraw/zinc/56/99/00/902569900.db2.gz JJESYYRJJZHKAP-KURKYZTESA-N 0 0 411.502 4.003 20 5 HIBDRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000488071750 902581961 /nfs/dbraw/zinc/58/19/61/902581961.db2.gz SSRDCMUCIFQIFJ-SJKOYZFVSA-N 0 0 420.453 4.273 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1)c1cc2ccccc2o1 ZINC000488075791 902585800 /nfs/dbraw/zinc/58/58/00/902585800.db2.gz DGPGELRKIKUAGH-MRXNPFEDSA-N 0 0 416.437 4.288 20 5 HIBDRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000488085163 902591382 /nfs/dbraw/zinc/59/13/82/902591382.db2.gz CWKGYYQPPVXFPT-HKUYNNGSSA-N 0 0 424.501 4.333 20 5 HIBDRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000488102108 902604487 /nfs/dbraw/zinc/60/44/87/902604487.db2.gz GXGNEQVESDJBGW-GHTZIAJQSA-N 0 0 403.523 4.012 20 5 HIBDRN COC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000488132960 902629888 /nfs/dbraw/zinc/62/98/88/902629888.db2.gz WRDGEHGEDFADHV-CQSZACIVSA-N 0 0 402.756 4.385 20 5 HIBDRN CCCOc1ccc(Cl)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000488197739 902680309 /nfs/dbraw/zinc/68/03/09/902680309.db2.gz HXIKPCBBPFVIRO-UHFFFAOYSA-N 0 0 400.822 4.475 20 5 HIBDRN Cc1ccc(NC(=O)C2(CNC(=O)Cc3cccc([N+](=O)[O-])c3)CCCC2)cc1C ZINC000488204445 902685952 /nfs/dbraw/zinc/68/59/52/902685952.db2.gz RFFVODJJITZSTE-UHFFFAOYSA-N 0 0 409.486 4.069 20 5 HIBDRN COc1cc(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000488237339 902712721 /nfs/dbraw/zinc/71/27/21/902712721.db2.gz UMQRXAVBNVRLNM-FQEVSTJZSA-N 0 0 420.465 4.368 20 5 HIBDRN Cn1nc(-c2ccsc2)cc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000488272292 902739306 /nfs/dbraw/zinc/73/93/06/902739306.db2.gz MSAHTHKDVXAOKI-UHFFFAOYSA-N 0 0 411.468 4.433 20 5 HIBDRN COc1c(F)cc(S(=O)(=O)Nc2cccc(CCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000488285475 902747859 /nfs/dbraw/zinc/74/78/59/902747859.db2.gz XQVHQWKCTRLHKO-UHFFFAOYSA-N 0 0 422.356 4.038 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000488297019 902758523 /nfs/dbraw/zinc/75/85/23/902758523.db2.gz STTZWANMRDGGEG-OAHLLOKOSA-N 0 0 407.517 4.013 20 5 HIBDRN CC[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Oc1cccc(C)c1 ZINC000488396810 902806322 /nfs/dbraw/zinc/80/63/22/902806322.db2.gz LSSMYNARLZMZHL-LJQANCHMSA-N 0 0 411.502 4.093 20 5 HIBDRN O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000488442473 902828544 /nfs/dbraw/zinc/82/85/44/902828544.db2.gz MSYOTYZTHAYEGY-UHFFFAOYSA-N 0 0 408.380 4.166 20 5 HIBDRN CC(C)n1ncc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1-c1ccccc1 ZINC000488462803 902837483 /nfs/dbraw/zinc/83/74/83/902837483.db2.gz HXCABZKTPUKRBE-UHFFFAOYSA-N 0 0 419.485 4.002 20 5 HIBDRN Cn1cc(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488463626 902837768 /nfs/dbraw/zinc/83/77/68/902837768.db2.gz SHDFKKYERICFRO-UHFFFAOYSA-N 0 0 422.407 4.380 20 5 HIBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000488472359 902843232 /nfs/dbraw/zinc/84/32/32/902843232.db2.gz YIPGSYAAYWAZHJ-AWEZNQCLSA-N 0 0 407.392 4.133 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000488480189 902847410 /nfs/dbraw/zinc/84/74/10/902847410.db2.gz GZJNMIXYFRKNQS-AWEZNQCLSA-N 0 0 411.487 4.121 20 5 HIBDRN Cc1cc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1[C@H](C)C1CC1 ZINC000488566053 902886380 /nfs/dbraw/zinc/88/63/80/902886380.db2.gz NGXKBTFXPMZDPJ-LLVKDONJSA-N 0 0 411.384 4.411 20 5 HIBDRN CCCc1nc(C)c(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])o1 ZINC000488788192 903001941 /nfs/dbraw/zinc/00/19/41/903001941.db2.gz XGIHBBQWTSKHSC-UHFFFAOYSA-N 0 0 405.252 4.188 20 5 HIBDRN O=C(c1cccs1)N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000506005246 914677653 /nfs/dbraw/zinc/67/76/53/914677653.db2.gz SCNJCIISLDEVNG-UHFFFAOYSA-N 0 0 413.524 4.343 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000488932821 903084079 /nfs/dbraw/zinc/08/40/79/903084079.db2.gz LVUUKVOHRKYGCO-UHFFFAOYSA-N 0 0 407.348 4.454 20 5 HIBDRN Cc1cc(N[C@H](CO)c2ccc(Br)cc2)c2cccc([N+](=O)[O-])c2n1 ZINC000489027171 903132502 /nfs/dbraw/zinc/13/25/02/903132502.db2.gz RLNDYAJVJXQZJQ-MRXNPFEDSA-N 0 0 402.248 4.359 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000489068810 903172132 /nfs/dbraw/zinc/17/21/32/903172132.db2.gz KTCGFROPRBICRJ-UHFFFAOYSA-N 0 0 415.409 4.064 20 5 HIBDRN Cc1sc2[nH]c(Cn3cc([N+](=O)[O-])cc(C)c3=O)nc(=O)c2c1-c1ccc(C)cc1 ZINC000489095165 903193592 /nfs/dbraw/zinc/19/35/92/903193592.db2.gz ZRYYYUWZGVAJDN-UHFFFAOYSA-N 0 0 422.466 4.107 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000489126309 903217278 /nfs/dbraw/zinc/21/72/78/903217278.db2.gz HQOKWIMCQCXBRR-QGZVFWFLSA-N 0 0 400.500 4.038 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Br ZINC000489171043 903241398 /nfs/dbraw/zinc/24/13/98/903241398.db2.gz TVRUAAIOAMEVGE-GFCCVEGCSA-N 0 0 422.279 4.235 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000489196457 903256639 /nfs/dbraw/zinc/25/66/39/903256639.db2.gz NPQHIVMBZVTQCZ-IBGZPJMESA-N 0 0 417.425 4.289 20 5 HIBDRN COc1ccc(Br)c(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000489284873 903306503 /nfs/dbraw/zinc/30/65/03/903306503.db2.gz CRDNLQCRDUILBV-GFCCVEGCSA-N 0 0 422.279 4.235 20 5 HIBDRN CCn1c(S[C@@H](C(=O)NC(C)(C)CC)C(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489399719 903367529 /nfs/dbraw/zinc/36/75/29/903367529.db2.gz USOYEXQXGBHYCG-MRXNPFEDSA-N 0 0 419.551 4.295 20 5 HIBDRN CCn1c(SCC(=O)c2cc(C)ccc2OC)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000489425088 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ZINC000492654990 904883358 /nfs/dbraw/zinc/88/33/58/904883358.db2.gz HDBQJWNEEOUSOL-SFHVURJKSA-N 0 0 419.466 4.303 20 5 HIBDRN Cc1cc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)ccc1O ZINC000492851142 904927041 /nfs/dbraw/zinc/92/70/41/904927041.db2.gz NYFOTUXPIFCFBM-UHFFFAOYSA-N 0 0 407.213 4.354 20 5 HIBDRN COC(=O)c1cc(NCc2ccc([N+](=O)[O-])c(OC)c2)c(C)cc1Br ZINC000506235753 914856900 /nfs/dbraw/zinc/85/69/00/914856900.db2.gz XKFZFRFMSCIQNG-UHFFFAOYSA-N 0 0 409.236 4.073 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000493037826 904999881 /nfs/dbraw/zinc/99/98/81/904999881.db2.gz YXCQVQCOSIVSCJ-CRAIPNDOSA-N 0 0 411.458 4.282 20 5 HIBDRN CC[C@@H](NC(=O)N(CC)Cc1ccc(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000493156380 905035642 /nfs/dbraw/zinc/03/56/42/905035642.db2.gz OLVCQKVPNZOACM-GOSISDBHSA-N 0 0 401.463 4.295 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000493232831 905059116 /nfs/dbraw/zinc/05/91/16/905059116.db2.gz CVNDSVJNOLARSE-INIZCTEOSA-N 0 0 401.463 4.339 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000493262315 905071834 /nfs/dbraw/zinc/07/18/34/905071834.db2.gz VJOBJEOYGHMCNT-AWEZNQCLSA-N 0 0 418.881 4.276 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CNc2ccc(Cl)c(F)c2N2CCOCC2)c(F)c1 ZINC000506259368 914868657 /nfs/dbraw/zinc/86/86/57/914868657.db2.gz OSEVKXYRUMNKFZ-UHFFFAOYSA-N 0 0 401.772 4.114 20 5 HIBDRN CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000493464910 905129229 /nfs/dbraw/zinc/12/92/29/905129229.db2.gz NDDGBJWKBHAJEM-UHFFFAOYSA-N 0 0 400.822 4.434 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N[C@H]2CCC[C@@H]2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000493742361 905210867 /nfs/dbraw/zinc/21/08/67/905210867.db2.gz ZRFKBECDKQTQTM-FPOVZHCZSA-N 0 0 420.469 4.109 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000493917229 905267817 /nfs/dbraw/zinc/26/78/17/905267817.db2.gz PVWNHBZTMOJVMU-CYBMUJFWSA-N 0 0 419.865 4.160 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1cc(Cl)ccc1N1CCOCC1 ZINC000512401800 921136961 /nfs/dbraw/zinc/13/69/61/921136961.db2.gz QTFKWBWXLYZENV-UHFFFAOYSA-N 0 0 416.787 4.111 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(-c3cccs3)c2)cc1[N+](=O)[O-] ZINC000494014156 905353077 /nfs/dbraw/zinc/35/30/77/905353077.db2.gz CDNATVAWYWIMFW-CQSZACIVSA-N 0 0 409.467 4.448 20 5 HIBDRN CCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000494018869 905357386 /nfs/dbraw/zinc/35/73/86/905357386.db2.gz QYTAUJBLHTYHAI-CYBMUJFWSA-N 0 0 419.865 4.161 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2N2CCCCCC2)cc1[N+](=O)[O-] ZINC000494020565 905361864 /nfs/dbraw/zinc/36/18/64/905361864.db2.gz YQJLCIMFRHTOKD-KRWDZBQOSA-N 0 0 424.501 4.100 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000494164755 905501752 /nfs/dbraw/zinc/50/17/52/905501752.db2.gz RKZMAYQHWVJJAT-AZUAARDMSA-N 0 0 403.429 4.135 20 5 HIBDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000494200554 905534283 /nfs/dbraw/zinc/53/42/83/905534283.db2.gz FHNRBLVSJFFATL-LLVKDONJSA-N 0 0 424.379 4.132 20 5 HIBDRN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000494201741 905535763 /nfs/dbraw/zinc/53/57/63/905535763.db2.gz ONPINHWZJQPEIN-NRFANRHFSA-N 0 0 411.458 4.349 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000494223100 905552981 /nfs/dbraw/zinc/55/29/81/905552981.db2.gz KIJZXXHCSSEKPQ-OAHLLOKOSA-N 0 0 420.849 4.457 20 5 HIBDRN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000494240367 905565907 /nfs/dbraw/zinc/56/59/07/905565907.db2.gz DSIONNKFOSAGEX-NRFANRHFSA-N 0 0 419.485 4.122 20 5 HIBDRN O=C(NC1CCCC1)c1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000494244784 905570198 /nfs/dbraw/zinc/57/01/98/905570198.db2.gz LSRZBRKOKQHPFY-UHFFFAOYSA-N 0 0 422.485 4.464 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000494248879 905574952 /nfs/dbraw/zinc/57/49/52/905574952.db2.gz VRCOQLSJSUQNLX-UHFFFAOYSA-N 0 0 414.874 4.152 20 5 HIBDRN C[C@@H]1CN(c2ccccc2NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@H](C)O1 ZINC000494263836 905587637 /nfs/dbraw/zinc/58/76/37/905587637.db2.gz BAVYLWFEDZBMAI-CALCHBBNSA-N 0 0 424.501 4.405 20 5 HIBDRN Cc1c(NC(=O)CC[N@@H+](C)Cc2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000494275071 905598199 /nfs/dbraw/zinc/59/81/99/905598199.db2.gz WEEZJRUEKZAZCJ-UHFFFAOYSA-N 0 0 424.270 4.265 20 5 HIBDRN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000494297560 905619193 /nfs/dbraw/zinc/61/91/93/905619193.db2.gz GUMBPTQDOUCFIT-OAHLLOKOSA-N 0 0 401.488 4.059 20 5 HIBDRN O=C(Nc1nc(C2CCOCC2)cs1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000494321272 905634308 /nfs/dbraw/zinc/63/43/08/905634308.db2.gz WOYXLSWPDHYWFI-UHFFFAOYSA-N 0 0 402.476 4.142 20 5 HIBDRN Cc1ccc(N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C(=O)N(C)C(C)C ZINC000494448337 905733432 /nfs/dbraw/zinc/73/34/32/905733432.db2.gz AKBLBGJFWJYXNL-INIZCTEOSA-N 0 0 412.490 4.213 20 5 HIBDRN Cc1ccc(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCCC1 ZINC000494493006 905779129 /nfs/dbraw/zinc/77/91/29/905779129.db2.gz JBKCOJKYGQGNKC-QGZVFWFLSA-N 0 0 424.501 4.359 20 5 HIBDRN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000494499438 905787706 /nfs/dbraw/zinc/78/77/06/905787706.db2.gz ZQFRQYUTFXIUBQ-UYHISHBKSA-N 0 0 414.849 4.479 20 5 HIBDRN CCSc1cc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccn1 ZINC000494501926 905793306 /nfs/dbraw/zinc/79/33/06/905793306.db2.gz DNSCNDNHGNINRZ-UHFFFAOYSA-N 0 0 400.485 4.155 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000494609259 905860449 /nfs/dbraw/zinc/86/04/49/905860449.db2.gz OLONEQLEYJUUAV-UHFFFAOYSA-N 0 0 406.398 4.500 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000494609535 905860649 /nfs/dbraw/zinc/86/06/49/905860649.db2.gz QHVMDBGVOIXQNA-UHFFFAOYSA-N 0 0 405.410 4.132 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000494656039 905886416 /nfs/dbraw/zinc/88/64/16/905886416.db2.gz TUAZNIOFBUKWSK-UHFFFAOYSA-N 0 0 417.421 4.059 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1COCc1ccccc1 ZINC000494660239 905888026 /nfs/dbraw/zinc/88/80/26/905888026.db2.gz FJPYTOAGFQHDKB-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000494683819 905898482 /nfs/dbraw/zinc/89/84/82/905898482.db2.gz BXOGNYIOCQRXFS-PMERELPUSA-N 0 0 424.478 4.305 20 5 HIBDRN Cc1nc(C(F)(F)F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000512485870 921193532 /nfs/dbraw/zinc/19/35/32/921193532.db2.gz XRZUOHLEWZDPBL-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000494781471 905980484 /nfs/dbraw/zinc/98/04/84/905980484.db2.gz VTDFMHVYGVYCRJ-CYBMUJFWSA-N 0 0 422.890 4.394 20 5 HIBDRN CCOc1ccc(C(=O)N(C)Cc2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000494864066 906048013 /nfs/dbraw/zinc/04/80/13/906048013.db2.gz LWPFXAYUPCEOEW-UHFFFAOYSA-N 0 0 411.227 4.167 20 5 HIBDRN CC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(C)cs1 ZINC000494895276 906071008 /nfs/dbraw/zinc/07/10/08/906071008.db2.gz RUJCLBSGNXLZTN-CYBMUJFWSA-N 0 0 402.398 4.329 20 5 HIBDRN CCc1c(NC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cnn1CCC(C)C ZINC000494914340 906088910 /nfs/dbraw/zinc/08/89/10/906088910.db2.gz GXXWXKUUBZZIMY-UHFFFAOYSA-N 0 0 417.466 4.139 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000494945071 906116312 /nfs/dbraw/zinc/11/63/12/906116312.db2.gz FESKEILSRMIGNZ-LIRRHRJNSA-N 0 0 403.504 4.279 20 5 HIBDRN COc1cc(C(=O)Nc2ccccc2OCCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000512510648 921208249 /nfs/dbraw/zinc/20/82/49/921208249.db2.gz WRWKPSDSEMJBFQ-UHFFFAOYSA-N 0 0 422.437 4.486 20 5 HIBDRN Cc1nc(C(F)(F)F)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512519493 921211265 /nfs/dbraw/zinc/21/12/65/921211265.db2.gz HMNFWRAVQIMAEH-VIFPVBQESA-N 0 0 403.744 4.376 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1noc(-c2ccccc2)n1 ZINC000495040286 906196763 /nfs/dbraw/zinc/19/67/63/906196763.db2.gz FAYNYGXHXPSYQF-CQSZACIVSA-N 0 0 407.430 4.080 20 5 HIBDRN COc1cc(N[C@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc(OC)c1 ZINC000495133109 906262594 /nfs/dbraw/zinc/26/25/94/906262594.db2.gz PMGZHIXNHMSNLT-HNNXBMFYSA-N 0 0 414.462 4.029 20 5 HIBDRN O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000495195779 906301893 /nfs/dbraw/zinc/30/18/93/906301893.db2.gz WJLYASWKQMJHFY-HNNXBMFYSA-N 0 0 424.288 4.132 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCCN(c2ccccc2)C1 ZINC000495225336 906317972 /nfs/dbraw/zinc/31/79/72/906317972.db2.gz WDXWJNOOKWTBBY-INIZCTEOSA-N 0 0 422.407 4.082 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)Cc2cncc3ccccc32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000495323361 906376108 /nfs/dbraw/zinc/37/61/08/906376108.db2.gz DAUDFZGYBWKHII-HNNXBMFYSA-N 0 0 415.453 4.454 20 5 HIBDRN Cc1ccc(CN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000512557766 921234645 /nfs/dbraw/zinc/23/46/45/921234645.db2.gz XQAAQOFIBGYKBB-UHFFFAOYSA-N 0 0 402.882 4.296 20 5 HIBDRN Cc1csc(C2(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CCCC2)n1 ZINC000496088858 906608694 /nfs/dbraw/zinc/60/86/94/906608694.db2.gz IUCIMAXJFLOAAC-UHFFFAOYSA-N 0 0 414.531 4.162 20 5 HIBDRN CN(C[C@H]1CCC[C@H]1O)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000496640913 906727449 /nfs/dbraw/zinc/72/74/49/906727449.db2.gz CNFAPZRAHIDQDB-FOIQADDNSA-N 0 0 417.893 4.093 20 5 HIBDRN COc1cc(C(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)cc([N+](=O)[O-])c1OC ZINC000496654148 906730916 /nfs/dbraw/zinc/73/09/16/906730916.db2.gz YRNYSOIHQHZMKZ-UHFFFAOYSA-N 0 0 404.419 4.005 20 5 HIBDRN CC(C)c1nnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)[nH]1 ZINC000496786110 906757253 /nfs/dbraw/zinc/75/72/53/906757253.db2.gz ROVSKTGRTQNOMN-ZDUSSCGKSA-N 0 0 411.487 4.479 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC000497050299 906796833 /nfs/dbraw/zinc/79/68/33/906796833.db2.gz POZNUOJCJYTMBR-LLVKDONJSA-N 0 0 401.419 4.357 20 5 HIBDRN COc1ccc(C(C)(C)CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000497113860 906808397 /nfs/dbraw/zinc/80/83/97/906808397.db2.gz JOPJESGYDMCSFP-UHFFFAOYSA-N 0 0 411.483 4.435 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000497141356 906810937 /nfs/dbraw/zinc/81/09/37/906810937.db2.gz MUFVDFWKYBZDQK-INIZCTEOSA-N 0 0 403.398 4.103 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CCc4c(ncn4-c4ccccc4)C3)cs2)c1 ZINC000497226391 906822789 /nfs/dbraw/zinc/82/27/89/906822789.db2.gz FUJOHRRPLYUIAK-UHFFFAOYSA-N 0 0 417.494 4.462 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000497361623 906852115 /nfs/dbraw/zinc/85/21/15/906852115.db2.gz FZYWNHZVKVIBKT-AEFFLSMTSA-N 0 0 406.385 4.155 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000497361630 906853676 /nfs/dbraw/zinc/85/36/76/906853676.db2.gz FZYWNHZVKVIBKT-SJLPKXTDSA-N 0 0 406.385 4.155 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cccc(Br)c2)cc1OC ZINC000497399525 906880340 /nfs/dbraw/zinc/88/03/40/906880340.db2.gz OECLRYJFWSXPOZ-UHFFFAOYSA-N 0 0 423.263 4.037 20 5 HIBDRN COc1cccc2c1CCCN2C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000497475738 906956023 /nfs/dbraw/zinc/95/60/23/906956023.db2.gz XJIHVRUBUAMVPV-UHFFFAOYSA-N 0 0 420.469 4.058 20 5 HIBDRN CN1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497488576 906972696 /nfs/dbraw/zinc/97/26/96/906972696.db2.gz AYGIMRAWIKVKKW-LPHOPBHVSA-N 0 0 417.437 4.263 20 5 HIBDRN O=C(N[C@H]1CC[C@H](O)CC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000512670718 921282355 /nfs/dbraw/zinc/28/23/55/921282355.db2.gz PYNMADMSICEOFZ-CTYIDZIISA-N 0 0 406.891 4.433 20 5 HIBDRN CCCCOc1ccc([C@H](C)Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1OC ZINC000497521747 907012261 /nfs/dbraw/zinc/01/22/61/907012261.db2.gz LTOYYMJXYZEKNE-AWEZNQCLSA-N 0 0 422.503 4.359 20 5 HIBDRN CS(=O)(=O)c1cccc(NCc2ccc(-c3ccc4c(c3)CCO4)cc2)c1[N+](=O)[O-] ZINC000497542912 907034147 /nfs/dbraw/zinc/03/41/47/907034147.db2.gz TWQBAXFPOUNGMC-UHFFFAOYSA-N 0 0 424.478 4.212 20 5 HIBDRN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000497557863 907046239 /nfs/dbraw/zinc/04/62/39/907046239.db2.gz FWUDPAKTJVHRJV-APPDUMDISA-N 0 0 412.364 4.128 20 5 HIBDRN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000512723669 921296878 /nfs/dbraw/zinc/29/68/78/921296878.db2.gz WMCLFMNDOBIGEN-IIBYNOLFSA-N 0 0 418.453 4.493 20 5 HIBDRN Cc1ccc(NC(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000512727915 921297438 /nfs/dbraw/zinc/29/74/38/921297438.db2.gz BJUTWSDNDFXZGT-CQSZACIVSA-N 0 0 424.379 4.202 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)cc([N+](=O)[O-])c1 ZINC000512770381 921304463 /nfs/dbraw/zinc/30/44/63/921304463.db2.gz CQSNBKSLRAKEML-UHFFFAOYSA-N 0 0 409.373 4.143 20 5 HIBDRN CCOC(=O)C(C)(C)c1csc(NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000497679305 907182161 /nfs/dbraw/zinc/18/21/61/907182161.db2.gz PBUQOTPKRJJYEQ-CQSZACIVSA-N 0 0 420.491 4.165 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1OCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000497692137 907196831 /nfs/dbraw/zinc/19/68/31/907196831.db2.gz MVOABGRBKNDQEP-UHFFFAOYSA-N 0 0 413.743 4.130 20 5 HIBDRN O=C(NCC1(c2cccs2)CCCCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497733509 907229212 /nfs/dbraw/zinc/22/92/12/907229212.db2.gz GQOZHJNSWQCDIR-UHFFFAOYSA-N 0 0 420.556 4.373 20 5 HIBDRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000497779687 907272466 /nfs/dbraw/zinc/27/24/66/907272466.db2.gz HOPOTGXBNGNZFV-UHFFFAOYSA-N 0 0 410.861 4.067 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000497787141 907278323 /nfs/dbraw/zinc/27/83/23/907278323.db2.gz SETBOBDLKNABQR-MRXNPFEDSA-N 0 0 415.490 4.304 20 5 HIBDRN CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc2ccccc2[nH]1 ZINC000497801299 907284398 /nfs/dbraw/zinc/28/43/98/907284398.db2.gz YIAXOXUWJHEABL-INIZCTEOSA-N 0 0 404.373 4.200 20 5 HIBDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497801344 907285253 /nfs/dbraw/zinc/28/52/53/907285253.db2.gz ZBSZZJZRBGTSEW-UHFFFAOYSA-N 0 0 405.357 4.105 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nccn1-c1ccccc1 ZINC000512801719 921314182 /nfs/dbraw/zinc/31/41/82/921314182.db2.gz HUKMZVDYVSUKCF-QGZVFWFLSA-N 0 0 407.474 4.462 20 5 HIBDRN CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000497880491 907354285 /nfs/dbraw/zinc/35/42/85/907354285.db2.gz HDRVTRNEVXKFCE-QHCPKHFHSA-N 0 0 423.444 4.454 20 5 HIBDRN O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000497899252 907372306 /nfs/dbraw/zinc/37/23/06/907372306.db2.gz MNNGEEQOQZRPJZ-JKSUJKDBSA-N 0 0 416.302 4.152 20 5 HIBDRN COc1cc(C(=O)NC[C@@]2(C)CCOC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000497920501 907389569 /nfs/dbraw/zinc/38/95/69/907389569.db2.gz CITOARJVPGUAGP-HXUWFJFHSA-N 0 0 420.849 4.206 20 5 HIBDRN Cc1cc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(Cl)cc1F ZINC000497951299 907420490 /nfs/dbraw/zinc/42/04/90/907420490.db2.gz PTOBASFFRBAZGV-MRXNPFEDSA-N 0 0 416.883 4.132 20 5 HIBDRN COc1c(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] ZINC000498028648 907530967 /nfs/dbraw/zinc/53/09/67/907530967.db2.gz RPFACPXLNIUBRO-AWEZNQCLSA-N 0 0 419.275 4.071 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000498050655 907563639 /nfs/dbraw/zinc/56/36/39/907563639.db2.gz WYNJSLFSPUHSSD-UHFFFAOYSA-N 0 0 405.248 4.044 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C2CC2)n1 ZINC000498082072 907591953 /nfs/dbraw/zinc/59/19/53/907591953.db2.gz KJEXWSBIOQJAEW-UHFFFAOYSA-N 0 0 423.210 4.033 20 5 HIBDRN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000498122715 907635233 /nfs/dbraw/zinc/63/52/33/907635233.db2.gz LIGOGIAQZODDGO-OAHLLOKOSA-N 0 0 407.401 4.017 20 5 HIBDRN Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1NC(=O)c1ccco1 ZINC000498129543 907647775 /nfs/dbraw/zinc/64/77/75/907647775.db2.gz NJCPHGLUDVAHIS-AWEZNQCLSA-N 0 0 408.414 4.188 20 5 HIBDRN O=C(NCCCO[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498130091 907647845 /nfs/dbraw/zinc/64/78/45/907647845.db2.gz ZLRDBVOYTUVLII-OAQYLSRUSA-N 0 0 405.454 4.357 20 5 HIBDRN Cc1c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(C)c1 ZINC000498141321 907663103 /nfs/dbraw/zinc/66/31/03/907663103.db2.gz XCHJPYREXMXRJG-NRFANRHFSA-N 0 0 408.483 4.285 20 5 HIBDRN COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)cc1 ZINC000498145840 907669856 /nfs/dbraw/zinc/66/98/56/907669856.db2.gz IJYITEVVGGTTCG-KRWDZBQOSA-N 0 0 405.454 4.247 20 5 HIBDRN Cc1c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000498148979 907673274 /nfs/dbraw/zinc/67/32/74/907673274.db2.gz AGSVCZQSEMVKAZ-FQEVSTJZSA-N 0 0 413.499 4.274 20 5 HIBDRN O=C(c1cc[nH]c1)c1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000498152843 907679744 /nfs/dbraw/zinc/67/97/44/907679744.db2.gz LTAGGPWOFBAYPG-OAQYLSRUSA-N 0 0 407.451 4.042 20 5 HIBDRN CSc1ccc(O[C@H](C)C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000498159214 907686169 /nfs/dbraw/zinc/68/61/69/907686169.db2.gz IZKKNZUSGOIWQU-YJYMSZOUSA-N 0 0 404.513 4.358 20 5 HIBDRN CC(C)(C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1)c1ccccc1[N+](=O)[O-] ZINC000498180157 907713411 /nfs/dbraw/zinc/71/34/11/907713411.db2.gz ZKEMNSJRFNMKEQ-QGZVFWFLSA-N 0 0 419.485 4.064 20 5 HIBDRN COCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1Cl ZINC000498186577 907719471 /nfs/dbraw/zinc/71/94/71/907719471.db2.gz CNROODULNSTFQY-UHFFFAOYSA-N 0 0 401.806 4.074 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000498185389 907719739 /nfs/dbraw/zinc/71/97/39/907719739.db2.gz JSIGCRGSTYPRAX-UHFFFAOYSA-N 0 0 406.829 4.476 20 5 HIBDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000498236802 907769953 /nfs/dbraw/zinc/76/99/53/907769953.db2.gz LIOYZKLPFGSEPM-MRXNPFEDSA-N 0 0 422.384 4.191 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1C[C@H](CO)c2ccccc21 ZINC000498277679 907813301 /nfs/dbraw/zinc/81/33/01/907813301.db2.gz SLOIFBNUXPKBHZ-OAHLLOKOSA-N 0 0 406.463 4.482 20 5 HIBDRN COc1ccc(Cl)cc1-c1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000512851273 921355696 /nfs/dbraw/zinc/35/56/96/921355696.db2.gz XFMSACFJOQHERL-UHFFFAOYSA-N 0 0 415.837 4.088 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1C ZINC000498330140 907843404 /nfs/dbraw/zinc/84/34/04/907843404.db2.gz XVYUIVBEPJYYDT-UHFFFAOYSA-N 0 0 409.442 4.257 20 5 HIBDRN COc1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000498340895 907847633 /nfs/dbraw/zinc/84/76/33/907847633.db2.gz AKZXVNQKFZOVQW-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN C[C@@H](Cc1ccccc1Br)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498411565 907888929 /nfs/dbraw/zinc/88/89/29/907888929.db2.gz SNJTXYVVBSOBCA-LBPRGKRZSA-N 0 0 414.259 4.267 20 5 HIBDRN C[C@H](Cc1ccccc1Br)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498411564 907889179 /nfs/dbraw/zinc/88/91/79/907889179.db2.gz SNJTXYVVBSOBCA-GFCCVEGCSA-N 0 0 414.259 4.267 20 5 HIBDRN Cc1c(NC(=O)COc2cccc([N+](=O)[O-])c2)cccc1C(=O)Nc1ccccc1 ZINC000498436173 907902575 /nfs/dbraw/zinc/90/25/75/907902575.db2.gz NUXRVPYDXMTPMH-UHFFFAOYSA-N 0 0 405.410 4.173 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000498471709 907941412 /nfs/dbraw/zinc/94/14/12/907941412.db2.gz IORWRKGIAXWLST-NRFANRHFSA-N 0 0 424.888 4.407 20 5 HIBDRN COC(=O)c1cc(C(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000498512885 907984063 /nfs/dbraw/zinc/98/40/63/907984063.db2.gz VLTYUZKZMAJSIG-LLVKDONJSA-N 0 0 410.348 4.233 20 5 HIBDRN COc1ccc([C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2ccc(C)cc2)cc1 ZINC000512873778 921371192 /nfs/dbraw/zinc/37/11/92/921371192.db2.gz FMVLZIGTEYHAGI-HSZRJFAPSA-N 0 0 406.438 4.196 20 5 HIBDRN O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000498581489 908035003 /nfs/dbraw/zinc/03/50/03/908035003.db2.gz YMSGMXHQKHIJNG-UHFFFAOYSA-N 0 0 401.419 4.038 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H](O)C(F)(F)F ZINC000498583080 908036999 /nfs/dbraw/zinc/03/69/99/908036999.db2.gz IKCFBSVREOUJOB-HZPDHXFCSA-N 0 0 414.405 4.178 20 5 HIBDRN COc1ccc(F)cc1[C@@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000498597222 908046357 /nfs/dbraw/zinc/04/63/57/908046357.db2.gz FLTMIKITANLSHW-LLVKDONJSA-N 0 0 401.419 4.357 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000498615190 908061919 /nfs/dbraw/zinc/06/19/19/908061919.db2.gz LZMSGOVJQPHLCU-UHFFFAOYSA-N 0 0 407.401 4.225 20 5 HIBDRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4ccc([N+](=O)[O-])c5cccnc45)C3)nc2c1 ZINC000498647053 908086172 /nfs/dbraw/zinc/08/61/72/908086172.db2.gz RPEWVEJIRGSGED-OAHLLOKOSA-N 0 0 415.453 4.348 20 5 HIBDRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccc([N+](=O)[O-])c5cccnc45)C3)nc2c1 ZINC000498647052 908086814 /nfs/dbraw/zinc/08/68/14/908086814.db2.gz RPEWVEJIRGSGED-HNNXBMFYSA-N 0 0 415.453 4.348 20 5 HIBDRN O=[N+]([O-])c1ccc2nc(NCc3cc4c(c(Br)c3)OCO4)ccc2c1 ZINC000512883955 921379387 /nfs/dbraw/zinc/37/93/87/921379387.db2.gz UEPDVLCJDWUMOJ-UHFFFAOYSA-N 0 0 402.204 4.246 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000498680870 908110952 /nfs/dbraw/zinc/11/09/52/908110952.db2.gz LNFYNNCSICCKNT-UHFFFAOYSA-N 0 0 403.438 4.418 20 5 HIBDRN COc1cccc(C2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000498684472 908112690 /nfs/dbraw/zinc/11/26/90/908112690.db2.gz ZLRFSEHZHHBQGX-CQSZACIVSA-N 0 0 417.893 4.463 20 5 HIBDRN Cc1ccc([C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000498813394 908221350 /nfs/dbraw/zinc/22/13/50/908221350.db2.gz VWEZTEHQSIBQLQ-HSZRJFAPSA-N 0 0 404.470 4.396 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(F)cc2OC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000498840921 908247815 /nfs/dbraw/zinc/24/78/15/908247815.db2.gz LJQYIKKIQVPPRA-UHFFFAOYSA-N 0 0 404.394 4.340 20 5 HIBDRN Cc1c(NC(=O)NCc2ccccc2[N+](=O)[O-])cccc1C(=O)Nc1ccccc1 ZINC000498929115 908338343 /nfs/dbraw/zinc/33/83/43/908338343.db2.gz KBAJBWSABSZZPW-UHFFFAOYSA-N 0 0 404.426 4.477 20 5 HIBDRN CCN(Cc1ccccc1C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000498932685 908342131 /nfs/dbraw/zinc/34/21/31/908342131.db2.gz YRFSJFVWVIRYPU-UHFFFAOYSA-N 0 0 406.486 4.427 20 5 HIBDRN CCOCCOc1ccc(Br)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000499002484 908380584 /nfs/dbraw/zinc/38/05/84/908380584.db2.gz QVQHOVDPHVKIQC-UHFFFAOYSA-N 0 0 423.263 4.333 20 5 HIBDRN CCCN(Cc1c(F)cccc1Cl)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000499092711 908455771 /nfs/dbraw/zinc/45/57/71/908455771.db2.gz HHTVMDCSXZJHMK-UHFFFAOYSA-N 0 0 408.813 4.226 20 5 HIBDRN Cc1cc(F)ccc1N(Cc1ccco1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000499170917 908524225 /nfs/dbraw/zinc/52/42/25/908524225.db2.gz XYPIWZWUAXQCFI-UHFFFAOYSA-N 0 0 418.446 4.214 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(Cc2ccccc2Br)CC1 ZINC000499194820 908548431 /nfs/dbraw/zinc/54/84/31/908548431.db2.gz QCSDIYFYSQPWPQ-UHFFFAOYSA-N 0 0 419.275 4.005 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000499230849 908592489 /nfs/dbraw/zinc/59/24/89/908592489.db2.gz ULVYEYDQMTXEQG-HNNXBMFYSA-N 0 0 420.412 4.361 20 5 HIBDRN COC(=O)c1cc(C(=O)N(Cc2ccccc2)c2ccc(OC)cc2)cc([N+](=O)[O-])c1 ZINC000499234810 908596348 /nfs/dbraw/zinc/59/63/48/908596348.db2.gz KEHFGALXCHTXIQ-UHFFFAOYSA-N 0 0 420.421 4.237 20 5 HIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000499301236 908671641 /nfs/dbraw/zinc/67/16/41/908671641.db2.gz QOQSTFPHQPTBTM-MRXNPFEDSA-N 0 0 407.474 4.034 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000512950364 921433207 /nfs/dbraw/zinc/43/32/07/921433207.db2.gz ZROCIAUBWSDBKC-UHFFFAOYSA-N 0 0 415.396 4.162 20 5 HIBDRN CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000499419920 908785004 /nfs/dbraw/zinc/78/50/04/908785004.db2.gz VJZUPMPMSXSANQ-UHFFFAOYSA-N 0 0 408.458 4.029 20 5 HIBDRN CCCc1c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cnn1-c1cccc(F)c1 ZINC000512961709 921439460 /nfs/dbraw/zinc/43/94/60/921439460.db2.gz ULURSEVQWOQUOK-UHFFFAOYSA-N 0 0 410.449 4.187 20 5 HIBDRN C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccc(F)c1F ZINC000499469446 908808857 /nfs/dbraw/zinc/80/88/57/908808857.db2.gz CISQUNXHXSFWSV-CYBMUJFWSA-N 0 0 405.401 4.187 20 5 HIBDRN O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000499470733 908808880 /nfs/dbraw/zinc/80/88/80/908808880.db2.gz MYSISEDYTYPLAK-UHFFFAOYSA-N 0 0 412.349 4.296 20 5 HIBDRN COCCS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000499482287 908813063 /nfs/dbraw/zinc/81/30/63/908813063.db2.gz ZKBOPXMJIHLMFJ-UHFFFAOYSA-N 0 0 420.490 4.060 20 5 HIBDRN COc1ccc(N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000499514346 908824073 /nfs/dbraw/zinc/82/40/73/908824073.db2.gz BHSZJAJWYSEDMX-CYBMUJFWSA-N 0 0 400.431 4.066 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccccc1Sc1ccccc1 ZINC000499526235 908829707 /nfs/dbraw/zinc/82/97/07/908829707.db2.gz OAQHMHOEBXVMHF-UHFFFAOYSA-N 0 0 421.478 4.309 20 5 HIBDRN CC[C@@H](C)Sc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(C(F)(F)F)c1 ZINC000499527716 908830235 /nfs/dbraw/zinc/83/02/35/908830235.db2.gz HJMBBXINHGDOAB-SNVBAGLBSA-N 0 0 402.398 4.339 20 5 HIBDRN CCCN(CCc1cccc(F)c1)C(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000499535388 908832524 /nfs/dbraw/zinc/83/25/24/908832524.db2.gz VDZOWINSBWLUHR-UHFFFAOYSA-N 0 0 404.438 4.236 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)NCc2ccccc2Sc2ccccc2)cc1[N+](=O)[O-] ZINC000499578956 908846342 /nfs/dbraw/zinc/84/63/42/908846342.db2.gz ZMZHBJLOMSURAK-UHFFFAOYSA-N 0 0 421.478 4.309 20 5 HIBDRN CC(C)(CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1F ZINC000499594461 908850755 /nfs/dbraw/zinc/85/07/55/908850755.db2.gz ODKVGVKMNGOYOX-UHFFFAOYSA-N 0 0 414.355 4.383 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000499725267 908891777 /nfs/dbraw/zinc/89/17/77/908891777.db2.gz VEGQQDPJNNTOMG-UHFFFAOYSA-N 0 0 421.501 4.288 20 5 HIBDRN Cc1cc(Cl)ccc1Cc1cnc(NC(=O)c2c(N)cccc2[N+](=O)[O-])s1 ZINC000499806875 908939881 /nfs/dbraw/zinc/93/98/81/908939881.db2.gz AIZXKKPMQNQNIA-UHFFFAOYSA-N 0 0 402.863 4.438 20 5 HIBDRN Cc1cc(CN(C)C(=O)c2c(N)cccc2[N+](=O)[O-])cc(C)c1OCC(F)(F)F ZINC000499806897 908940446 /nfs/dbraw/zinc/94/04/46/908940446.db2.gz AQMHQLTUAVLXQB-UHFFFAOYSA-N 0 0 411.380 4.007 20 5 HIBDRN O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000512991933 921460672 /nfs/dbraw/zinc/46/06/72/921460672.db2.gz MDEQPOVBLJIJNP-UHFFFAOYSA-N 0 0 401.728 4.391 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000513025390 921485634 /nfs/dbraw/zinc/48/56/34/921485634.db2.gz DXAWXXFJVJILHN-UHFFFAOYSA-N 0 0 413.377 4.460 20 5 HIBDRN Cc1ccc(-n2nc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c3c2CCC3)c(F)c1 ZINC000513031594 921490152 /nfs/dbraw/zinc/49/01/52/921490152.db2.gz NAUFLRNEMMQSSE-UHFFFAOYSA-N 0 0 422.460 4.031 20 5 HIBDRN COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCC3)cc1 ZINC000500005346 909453870 /nfs/dbraw/zinc/45/38/70/909453870.db2.gz JIAGFJNQXKUYFC-HNNXBMFYSA-N 0 0 424.482 4.117 20 5 HIBDRN Cc1cc(Br)cc(C)c1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000500011098 909466048 /nfs/dbraw/zinc/46/60/48/909466048.db2.gz RTUHBBXDFQHFIE-UHFFFAOYSA-N 0 0 416.275 4.245 20 5 HIBDRN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500069935 909540866 /nfs/dbraw/zinc/54/08/66/909540866.db2.gz LINPPKWZMQLPHC-KUHUBIRLSA-N 0 0 403.866 4.039 20 5 HIBDRN COc1cccc(C2(F)CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000500156717 909638722 /nfs/dbraw/zinc/63/87/22/909638722.db2.gz RHZCJUSIGYGHHM-MRXNPFEDSA-N 0 0 415.465 4.200 20 5 HIBDRN CCOc1c(OC)cc(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC ZINC000500173784 909664269 /nfs/dbraw/zinc/66/42/69/909664269.db2.gz VNAYVPMDOCVUOW-UHFFFAOYSA-N 0 0 416.474 4.238 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000500186518 909682382 /nfs/dbraw/zinc/68/23/82/909682382.db2.gz GATXPOOVKGPTQL-UHFFFAOYSA-N 0 0 402.300 4.083 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC2CCOCC2)cc1 ZINC000513061947 921518361 /nfs/dbraw/zinc/51/83/61/921518361.db2.gz PSEJNFVZBLIZMH-AWEZNQCLSA-N 0 0 401.488 4.305 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCCc3cc(F)cc(F)c3)cc2[N+](=O)[O-])C1 ZINC000500326276 909786473 /nfs/dbraw/zinc/78/64/73/909786473.db2.gz GJTSEWCKOQKYBN-CQSZACIVSA-N 0 0 403.429 4.082 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000500365531 909815222 /nfs/dbraw/zinc/81/52/22/909815222.db2.gz TVWADTFWOQCYDG-HQJJXPTPSA-N 0 0 415.515 4.120 20 5 HIBDRN CS(=O)(=O)c1ccc(F)c(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000500400299 909836417 /nfs/dbraw/zinc/83/64/17/909836417.db2.gz HBLYZXDMFUGLPU-UHFFFAOYSA-N 0 0 420.487 4.156 20 5 HIBDRN CC[C@H](NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000500399263 909836729 /nfs/dbraw/zinc/83/67/29/909836729.db2.gz SLYYHGSKWDZRIA-INIZCTEOSA-N 0 0 421.881 4.258 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000500497254 909891792 /nfs/dbraw/zinc/89/17/92/909891792.db2.gz LMGUJRXQCKUGTR-UHFFFAOYSA-N 0 0 403.847 4.039 20 5 HIBDRN CCCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000500690230 910024304 /nfs/dbraw/zinc/02/43/04/910024304.db2.gz XAVLDPNVCJSEJC-MRXNPFEDSA-N 0 0 424.501 4.439 20 5 HIBDRN CCCN(C(=O)c1ccc(OCC)c([N+](=O)[O-])c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000500694511 910027835 /nfs/dbraw/zinc/02/78/35/910027835.db2.gz GQCROFVNXFHKCR-MRXNPFEDSA-N 0 0 413.474 4.263 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000500744190 910054765 /nfs/dbraw/zinc/05/47/65/910054765.db2.gz NTOUCUBZWZPLHZ-SFHVURJKSA-N 0 0 409.442 4.136 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccc(C)c(S(C)(=O)=O)c3)o2)c([N+](=O)[O-])c1 ZINC000500752509 910060790 /nfs/dbraw/zinc/06/07/90/910060790.db2.gz FQCQZPRXXDMUOA-UHFFFAOYSA-N 0 0 416.455 4.187 20 5 HIBDRN CCc1nn(C)cc1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000500985535 910217166 /nfs/dbraw/zinc/21/71/66/910217166.db2.gz ZDVDOYZKRCRVEA-IBGZPJMESA-N 0 0 413.865 4.336 20 5 HIBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000501128784 910309461 /nfs/dbraw/zinc/30/94/61/910309461.db2.gz NTLTVIXMDJYRJP-UHFFFAOYSA-N 0 0 407.361 4.060 20 5 HIBDRN O=C(CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501128276 910309611 /nfs/dbraw/zinc/30/96/11/910309611.db2.gz QPEOMDFPDHCOKF-GOSISDBHSA-N 0 0 424.284 4.304 20 5 HIBDRN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000501159040 910329537 /nfs/dbraw/zinc/32/95/37/910329537.db2.gz YZVJEHPYVUURKG-STQMWFEESA-N 0 0 416.421 4.225 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1OC ZINC000501207325 910371490 /nfs/dbraw/zinc/37/14/90/910371490.db2.gz IJYWVDDMHGLJSP-ZDUSSCGKSA-N 0 0 421.881 4.177 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] ZINC000501253562 910414352 /nfs/dbraw/zinc/41/43/52/910414352.db2.gz WDZHUWPDELHVOL-UHFFFAOYSA-N 0 0 420.443 4.189 20 5 HIBDRN COc1ccc([C@H]2C[C@H](NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)cc1F ZINC000501331283 910473067 /nfs/dbraw/zinc/47/30/67/910473067.db2.gz KKCDNZQLVAWCAM-BPLDGKMQSA-N 0 0 404.463 4.286 20 5 HIBDRN COc1cc(OCC(=O)Nc2cc(-c3ccccc3)nn2CC(C)C)ccc1[N+](=O)[O-] ZINC000501406082 910538244 /nfs/dbraw/zinc/53/82/44/910538244.db2.gz KWYSDUNAUFDIFI-UHFFFAOYSA-N 0 0 424.457 4.140 20 5 HIBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl ZINC000501512202 910622363 /nfs/dbraw/zinc/62/23/63/910622363.db2.gz MDXARFPIWUWESQ-UHFFFAOYSA-N 0 0 405.241 4.232 20 5 HIBDRN CCCn1nccc1C1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000501535191 910644357 /nfs/dbraw/zinc/64/43/57/910644357.db2.gz VRXGTHDMUMTALE-OAHLLOKOSA-N 0 0 410.478 4.192 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCOc4c(Br)cccc43)nc2c1 ZINC000501574312 910681988 /nfs/dbraw/zinc/68/19/88/910681988.db2.gz CQQKUORPXBMVQE-CYBMUJFWSA-N 0 0 404.220 4.112 20 5 HIBDRN Cc1ccccc1C1=CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000501586484 910694095 /nfs/dbraw/zinc/69/40/95/910694095.db2.gz UHNGUAYIKLZUDL-UHFFFAOYSA-N 0 0 406.360 4.384 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC=C(c2cccc3ccccc32)C1 ZINC000501615514 910716142 /nfs/dbraw/zinc/71/61/42/910716142.db2.gz QKNUANWXLSCPIJ-UHFFFAOYSA-N 0 0 410.433 4.473 20 5 HIBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCCN(CC(F)F)CC1 ZINC000501618376 910719562 /nfs/dbraw/zinc/71/95/62/910719562.db2.gz MYTKVLSUENBSLH-UHFFFAOYSA-N 0 0 421.469 4.159 20 5 HIBDRN Cc1ccc(OC2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)cc1C ZINC000501632095 910727675 /nfs/dbraw/zinc/72/76/75/910727675.db2.gz 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CC[C@@H](CSc1ccccc1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000501708483 910776620 /nfs/dbraw/zinc/77/66/20/910776620.db2.gz LXGDHVWBFWJNBN-SFHVURJKSA-N 0 0 413.543 4.498 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000501719383 910789162 /nfs/dbraw/zinc/78/91/62/910789162.db2.gz LGZRRWLSSQHPKC-JOCHJYFZSA-N 0 0 424.476 4.169 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000501739462 910799863 /nfs/dbraw/zinc/79/98/63/910799863.db2.gz AHVLTWYZGJYIDT-UHFFFAOYSA-N 0 0 421.478 4.349 20 5 HIBDRN Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1Cc1ccccc1[N+](=O)[O-] ZINC000501751805 910810971 /nfs/dbraw/zinc/81/09/71/910810971.db2.gz MIALQMRLHDAWJD-OAQYLSRUSA-N 0 0 410.449 4.110 20 5 HIBDRN CC(C)c1nc([C@H]2CCCCCN2C(=O)CSc2ccc([N+](=O)[O-])cc2)no1 ZINC000501839886 910880604 /nfs/dbraw/zinc/88/06/04/910880604.db2.gz JWWTYDZCYYRBNX-MRXNPFEDSA-N 0 0 404.492 4.337 20 5 HIBDRN Cc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(OC[C@@H]2CCCO2)c1 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ZINC000509714057 918340461 /nfs/dbraw/zinc/34/04/61/918340461.db2.gz RBMFTIATELBUQX-KRWDZBQOSA-N 0 0 401.467 4.173 20 5 HIBDRN O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000509723930 918348999 /nfs/dbraw/zinc/34/89/99/918348999.db2.gz HJTUMUFSKSOYAU-UHFFFAOYSA-N 0 0 418.805 4.186 20 5 HIBDRN Cc1c(C(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)cccc1[N+](=O)[O-] ZINC000509737006 918357390 /nfs/dbraw/zinc/35/73/90/918357390.db2.gz KFFJBKSVBIOOOT-UHFFFAOYSA-N 0 0 422.441 4.073 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)s1 ZINC000509746056 918365825 /nfs/dbraw/zinc/36/58/25/918365825.db2.gz MLSOGJGONBVOJI-MRXNPFEDSA-N 0 0 416.480 4.125 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000509806241 918412130 /nfs/dbraw/zinc/41/21/30/918412130.db2.gz VXTJVAXSQGBEDM-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000509816414 918418503 /nfs/dbraw/zinc/41/85/03/918418503.db2.gz OMRGINMGZDPYQW-KZULUSFZSA-N 0 0 419.275 4.268 20 5 HIBDRN Cc1c(NC(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000509874257 918475529 /nfs/dbraw/zinc/47/55/29/918475529.db2.gz RPUUCFJEYYWNAA-GOSISDBHSA-N 0 0 424.284 4.222 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1[N+](=O)[O-] ZINC000509875526 918477153 /nfs/dbraw/zinc/47/71/53/918477153.db2.gz YPHAPFUZOLRDHO-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000509892271 918494443 /nfs/dbraw/zinc/49/44/43/918494443.db2.gz CHWQSSKPEJRRME-UHFFFAOYSA-N 0 0 421.381 4.169 20 5 HIBDRN COc1ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1N1CCCCC1=O ZINC000509918649 918518750 /nfs/dbraw/zinc/51/87/50/918518750.db2.gz IDJXDVZPSFSZBU-CQSZACIVSA-N 0 0 412.446 4.003 20 5 HIBDRN COc1ccc(C(=O)N2CCc3c(Br)cccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000509940645 918538116 /nfs/dbraw/zinc/53/81/16/918538116.db2.gz DUXZCUQYMHOSLA-NSHDSACASA-N 0 0 405.248 4.125 20 5 HIBDRN COC(=O)c1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1 ZINC000509946306 918541342 /nfs/dbraw/zinc/54/13/42/918541342.db2.gz WRUCWVLLGNWCRX-UHFFFAOYSA-N 0 0 416.499 4.102 20 5 HIBDRN O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000509986090 918573447 /nfs/dbraw/zinc/57/34/47/918573447.db2.gz ZKXHVXLHHLMUCA-YOEHRIQHSA-N 0 0 404.416 4.493 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccc(-c3cncnc3)cc2)cc1[N+](=O)[O-] ZINC000510059762 918630370 /nfs/dbraw/zinc/63/03/70/918630370.db2.gz VWJIMCCLJFCYOC-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN COc1cc(C(=O)NCC2CCC(C)CC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000510186769 918737490 /nfs/dbraw/zinc/73/74/90/918737490.db2.gz UZZZDMWNNZBDSQ-UHFFFAOYSA-N 0 0 419.503 4.195 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCCN(C)c3ccccc32)cc1[N+](=O)[O-] ZINC000510259432 918792496 /nfs/dbraw/zinc/79/24/96/918792496.db2.gz RSYODAKJONCFKU-UHFFFAOYSA-N 0 0 404.264 4.152 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000510362039 918853249 /nfs/dbraw/zinc/85/32/49/918853249.db2.gz LZVQGOAFWMVKFW-SGTLLEGYSA-N 0 0 419.275 4.268 20 5 HIBDRN COc1cc(C(=O)N2CCCCC[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000510440625 918897891 /nfs/dbraw/zinc/89/78/91/918897891.db2.gz DNALYDIEDBBGTA-ZDUSSCGKSA-N 0 0 405.476 4.044 20 5 HIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000510440941 918898111 /nfs/dbraw/zinc/89/81/11/918898111.db2.gz KFFCIDXXSIALAC-LBPRGKRZSA-N 0 0 421.291 4.378 20 5 HIBDRN COCCCOc1cccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000510480750 918933559 /nfs/dbraw/zinc/93/35/59/918933559.db2.gz UVRQNPHAUVWQDH-UHFFFAOYSA-N 0 0 423.263 4.333 20 5 HIBDRN CCOC(=O)Cc1ccccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000510488560 918939361 /nfs/dbraw/zinc/93/93/61/918939361.db2.gz BLAAPLFYXSRHSQ-UHFFFAOYSA-N 0 0 421.247 4.024 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000510626262 919067324 /nfs/dbraw/zinc/06/73/24/919067324.db2.gz DWGDSGNYANRGOW-UHFFFAOYSA-N 0 0 422.812 4.130 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000510635286 919076779 /nfs/dbraw/zinc/07/67/79/919076779.db2.gz QMUJDXCKMXELSD-UHFFFAOYSA-N 0 0 411.245 4.360 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000510649428 919090993 /nfs/dbraw/zinc/09/09/93/919090993.db2.gz HWSDPGXHOWVPAE-CQSZACIVSA-N 0 0 411.393 4.195 20 5 HIBDRN CCOc1cc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c([N+](=O)[O-])cc1OCC ZINC000510670036 919111414 /nfs/dbraw/zinc/11/14/14/919111414.db2.gz PYVWAVFEVXYNBI-UHFFFAOYSA-N 0 0 416.478 4.473 20 5 HIBDRN CCCN(Cc1ccccc1Br)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000510700226 919137179 /nfs/dbraw/zinc/13/71/79/919137179.db2.gz IDJUQIHYSDMOBU-UHFFFAOYSA-N 0 0 407.264 4.418 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OCC(F)(F)F ZINC000510753271 919204312 /nfs/dbraw/zinc/20/43/12/919204312.db2.gz QLMSZRWXZSEUHB-NSHDSACASA-N 0 0 413.352 4.427 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)o2)cs1 ZINC000510844588 919328744 /nfs/dbraw/zinc/32/87/44/919328744.db2.gz RYUVQVZKGILFEF-UHFFFAOYSA-N 0 0 400.460 4.004 20 5 HIBDRN Cc1nn(CCC(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000510878621 919373417 /nfs/dbraw/zinc/37/34/17/919373417.db2.gz JRCFCTSTEDWINS-UHFFFAOYSA-N 0 0 423.300 4.421 20 5 HIBDRN C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000510914767 919423947 /nfs/dbraw/zinc/42/39/47/919423947.db2.gz TWIBHWHDMOAPJR-ZDUSSCGKSA-N 0 0 417.416 4.285 20 5 HIBDRN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511091548 919695673 /nfs/dbraw/zinc/69/56/73/919695673.db2.gz MBXSHPXPSWUXPT-CQSZACIVSA-N 0 0 409.442 4.045 20 5 HIBDRN Cc1ccc([C@H](NC(=O)CN(C)CCc2ccccc2[N+](=O)[O-])c2cccs2)cc1 ZINC000511120080 919731956 /nfs/dbraw/zinc/73/19/56/919731956.db2.gz HAQIVDYYRZDHDB-QHCPKHFHSA-N 0 0 423.538 4.345 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511147860 919768485 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4.183 20 5 HIBDRN O=C(CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000511375968 919975184 /nfs/dbraw/zinc/97/51/84/919975184.db2.gz DYDNNFJQGUKXDR-LJQANCHMSA-N 0 0 410.861 4.155 20 5 HIBDRN Cc1c(NC(=O)C(C)(C)c2ccc3c(c2)OCO3)cc(Br)cc1[N+](=O)[O-] ZINC000511448568 920058737 /nfs/dbraw/zinc/05/87/37/920058737.db2.gz YHHLYOJOELUHTC-UHFFFAOYSA-N 0 0 421.247 4.311 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H](C)COc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000511456833 920065705 /nfs/dbraw/zinc/06/57/05/920065705.db2.gz ZMEMRIAYPQDVJV-MRXNPFEDSA-N 0 0 418.515 4.037 20 5 HIBDRN CCOc1ccc(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 ZINC000511478093 920087992 /nfs/dbraw/zinc/08/79/92/920087992.db2.gz WWMFXYPNENHYDV-UHFFFAOYSA-N 0 0 412.486 4.487 20 5 HIBDRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3C)n2)c(F)c1 ZINC000511505528 920121562 /nfs/dbraw/zinc/12/15/62/920121562.db2.gz NDKPFYYBYYYKDU-UHFFFAOYSA-N 0 0 414.418 4.377 20 5 HIBDRN Cc1sc(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)cc1[N+](=O)[O-] ZINC000511527885 920146607 /nfs/dbraw/zinc/14/66/07/920146607.db2.gz ZTNICZISNXIGLE-UHFFFAOYSA-N 0 0 413.278 4.431 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000511530974 920151068 /nfs/dbraw/zinc/15/10/68/920151068.db2.gz GZRRVYKMRBSICR-NSHDSACASA-N 0 0 410.257 4.368 20 5 HIBDRN Cc1c(Br)cc(C(=O)N(Cc2cccc(O)c2)CC2CC2)cc1[N+](=O)[O-] ZINC000511538797 920159811 /nfs/dbraw/zinc/15/98/11/920159811.db2.gz KMYSWYSGAQSDIA-UHFFFAOYSA-N 0 0 419.275 4.424 20 5 HIBDRN CCOc1cc(C(=O)N2CCCc3cc(OC(F)F)ccc32)c([N+](=O)[O-])cc1OC ZINC000511627508 920286928 /nfs/dbraw/zinc/28/69/28/920286928.db2.gz WPYZIEOJHBCCKA-UHFFFAOYSA-N 0 0 422.384 4.197 20 5 HIBDRN Cc1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc2n1 ZINC000511627884 920287242 /nfs/dbraw/zinc/28/72/42/920287242.db2.gz LMWQLIWHMDAQIB-UHFFFAOYSA-N 0 0 414.259 4.186 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000511724431 920391804 /nfs/dbraw/zinc/39/18/04/920391804.db2.gz 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/nfs/dbraw/zinc/04/78/53/923047853.db2.gz XXZXUBZOMILOAZ-HSZRJFAPSA-N 0 0 404.470 4.365 20 5 HIBDRN COc1cccc(CN(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000515329696 923054504 /nfs/dbraw/zinc/05/45/04/923054504.db2.gz PAQZMBWMKMJYOZ-UHFFFAOYSA-N 0 0 414.405 4.373 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1OCC(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000515478879 923128034 /nfs/dbraw/zinc/12/80/34/923128034.db2.gz WGWGIDMUKIVLHO-UHFFFAOYSA-N 0 0 422.775 4.330 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc(COCC(F)(F)F)cc3)cc2N1 ZINC000515541442 923164339 /nfs/dbraw/zinc/16/43/39/923164339.db2.gz UILGDTMZAFXWKD-UHFFFAOYSA-N 0 0 409.364 4.171 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H](C)c2ccc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000515538803 923164481 /nfs/dbraw/zinc/16/44/81/923164481.db2.gz VNOCRYSDNAJZLN-NSHDSACASA-N 0 0 410.243 4.365 20 5 HIBDRN COc1ccc(C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)c2ccc(OC)cc2)cc1 ZINC000515587540 923201118 /nfs/dbraw/zinc/20/11/18/923201118.db2.gz MYYOUCXYACASNY-JOCHJYFZSA-N 0 0 424.428 4.465 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000515656396 923247258 /nfs/dbraw/zinc/24/72/58/923247258.db2.gz BXHFSZPTLFYMPP-AWEZNQCLSA-N 0 0 416.503 4.377 20 5 HIBDRN Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cc2)cs1 ZINC000515713265 923295404 /nfs/dbraw/zinc/29/54/04/923295404.db2.gz MQOAVOLPLUYQKT-NSHDSACASA-N 0 0 421.475 4.205 20 5 HIBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)c1 ZINC000515752321 923324547 /nfs/dbraw/zinc/32/45/47/923324547.db2.gz JLTUWLYHNMSUFR-KRWDZBQOSA-N 0 0 408.888 4.378 20 5 HIBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000515752457 923325936 /nfs/dbraw/zinc/32/59/36/923325936.db2.gz UVPKJWGUIICOAY-KRWDZBQOSA-N 0 0 408.888 4.378 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000515755067 923327366 /nfs/dbraw/zinc/32/73/66/923327366.db2.gz IXDPEOROFAQLPX-SNVBAGLBSA-N 0 0 404.822 4.217 20 5 HIBDRN Cc1ccccc1OCCCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000515796203 923355622 /nfs/dbraw/zinc/35/56/22/923355622.db2.gz DBGMHCNQGMGIII-UHFFFAOYSA-N 0 0 409.389 4.437 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1cccs1)c1ccc(C)cc1 ZINC000515847489 923391068 /nfs/dbraw/zinc/39/10/68/923391068.db2.gz SIBSFLGWUKQEME-UHFFFAOYSA-N 0 0 418.496 4.369 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000515871095 923401883 /nfs/dbraw/zinc/40/18/83/923401883.db2.gz GEMYAEFPUMIAFK-RNODOKPDSA-N 0 0 414.483 4.114 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2OC(C)(C)C)cc1OC ZINC000515902262 923421608 /nfs/dbraw/zinc/42/16/08/923421608.db2.gz YEZKQZJFZXKWEC-UHFFFAOYSA-N 0 0 418.446 4.058 20 5 HIBDRN C[C@H](NC(=O)N(C)CCOc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000515905568 923425125 /nfs/dbraw/zinc/42/51/25/923425125.db2.gz VTDHUTQBFGLXJY-ZDUSSCGKSA-N 0 0 422.279 4.139 20 5 HIBDRN Cc1ccn2cc(CNC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)nc2c1 ZINC000515986522 923482321 /nfs/dbraw/zinc/48/23/21/923482321.db2.gz QDEXEESAPPPTGG-UHFFFAOYSA-N 0 0 401.426 4.225 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000516039909 923515675 /nfs/dbraw/zinc/51/56/75/923515675.db2.gz DPGGHEVLWFMQCV-HXUWFJFHSA-N 0 0 423.856 4.401 20 5 HIBDRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000516235003 923620475 /nfs/dbraw/zinc/62/04/75/923620475.db2.gz LZUMSZKCWVURHK-KBMXLJTQSA-N 0 0 417.535 4.065 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000516329643 923668915 /nfs/dbraw/zinc/66/89/15/923668915.db2.gz XMEVJBMEHJYYLP-SFHVURJKSA-N 0 0 413.474 4.249 20 5 HIBDRN COc1ccccc1CN(C)C(=O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000516344362 923678293 /nfs/dbraw/zinc/67/82/93/923678293.db2.gz PBOZBPRBFCPWHI-UHFFFAOYSA-N 0 0 406.438 4.308 20 5 HIBDRN COc1cccc(CNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000516376062 923700606 /nfs/dbraw/zinc/70/06/06/923700606.db2.gz TYTAQOBRUKCJJL-MRXNPFEDSA-N 0 0 406.438 4.354 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@H](CCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000516439500 923733111 /nfs/dbraw/zinc/73/31/11/923733111.db2.gz NSCRJXJTLSJHCQ-OAQYLSRUSA-N 0 0 417.465 4.332 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(OC(F)F)c3ncccc23)cc1[N+](=O)[O-] ZINC000516464041 923744789 /nfs/dbraw/zinc/74/47/89/923744789.db2.gz JMIOUSBGDMWRNN-UHFFFAOYSA-N 0 0 418.356 4.075 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@@H]2CCc2ccccc2)cc1[N+](=O)[O-] ZINC000516528955 923780953 /nfs/dbraw/zinc/78/09/53/923780953.db2.gz DCJXTOPQHDTINK-LJQANCHMSA-N 0 0 414.527 4.460 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@H]2CCc2ccccc2)cc1[N+](=O)[O-] ZINC000516528954 923781500 /nfs/dbraw/zinc/78/15/00/923781500.db2.gz DCJXTOPQHDTINK-IBGZPJMESA-N 0 0 414.527 4.460 20 5 HIBDRN Cc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c(OCC(F)(F)F)c1 ZINC000516598407 923808685 /nfs/dbraw/zinc/80/86/85/923808685.db2.gz YDVHWBKQGVKZRQ-UHFFFAOYSA-N 0 0 404.291 4.304 20 5 HIBDRN COc1ccc(Sc2nsc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000516616863 923818798 /nfs/dbraw/zinc/81/87/98/923818798.db2.gz YLLDJUUYLRRGRS-NSHDSACASA-N 0 0 416.484 4.348 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000516711662 923858808 /nfs/dbraw/zinc/85/88/08/923858808.db2.gz LZFUPMVBRMBDJN-ZDUSSCGKSA-N 0 0 424.482 4.151 20 5 HIBDRN COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)C2CC2)cc1 ZINC000516716313 923859936 /nfs/dbraw/zinc/85/99/36/923859936.db2.gz LLBFZQFPFQRPEZ-UHFFFAOYSA-N 0 0 424.375 4.192 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000516716862 923861209 /nfs/dbraw/zinc/86/12/09/923861209.db2.gz LCMXDLMREDBTRX-QGZVFWFLSA-N 0 0 405.838 4.453 20 5 HIBDRN COCCOc1ccc(Br)cc1NCc1cc([N+](=O)[O-])ccc1OC ZINC000516753969 923877060 /nfs/dbraw/zinc/87/70/60/923877060.db2.gz XCDHRSLWNBEQSJ-UHFFFAOYSA-N 0 0 411.252 4.003 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000516783020 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HMRAFTBDGVSSOB-UHFFFAOYSA-N 0 0 415.833 4.043 20 5 HIBDRN O=C(Nc1ccccc1F)Nc1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])o1)C2 ZINC000521989528 929613896 /nfs/dbraw/zinc/61/38/96/929613896.db2.gz UIVUBEDPMLXLLL-UHFFFAOYSA-N 0 0 424.388 4.169 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000521992227 929615621 /nfs/dbraw/zinc/61/56/21/929615621.db2.gz FWGNLXJCMNLVCC-UHFFFAOYSA-N 0 0 415.453 4.275 20 5 HIBDRN CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000522004864 929617320 /nfs/dbraw/zinc/61/73/20/929617320.db2.gz FAYHAOLBCJSFJY-IBGZPJMESA-N 0 0 409.486 4.160 20 5 HIBDRN O=C(c1csc([N+](=O)[O-])c1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC000522002221 929617460 /nfs/dbraw/zinc/61/74/60/929617460.db2.gz WQVUMLPEQLCCQV-UHFFFAOYSA-N 0 0 422.869 4.378 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccc(F)cc2)c(F)c1 ZINC000522026129 929622346 /nfs/dbraw/zinc/62/23/46/929622346.db2.gz PNZLSOLRIOKHTE-UHFFFAOYSA-N 0 0 422.384 4.408 20 5 HIBDRN Nc1c(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc(F)cc1[N+](=O)[O-] ZINC000524488021 929634957 /nfs/dbraw/zinc/63/49/57/929634957.db2.gz URSZXWADKDVOAB-GFCCVEGCSA-N 0 0 412.446 4.297 20 5 HIBDRN CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000524507458 929655406 /nfs/dbraw/zinc/65/54/06/929655406.db2.gz AXWXMSMRTNLGBV-IBGZPJMESA-N 0 0 422.510 4.459 20 5 HIBDRN CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000524507459 929655822 /nfs/dbraw/zinc/65/58/22/929655822.db2.gz AXWXMSMRTNLGBV-LJQANCHMSA-N 0 0 422.510 4.459 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@H](c3ncccc3C)C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000524511072 929659122 /nfs/dbraw/zinc/65/91/22/929659122.db2.gz OXLYVWBLPLIARF-FQEVSTJZSA-N 0 0 421.501 4.287 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(OCc3ccccc3)ccc21 ZINC000524514172 929660598 /nfs/dbraw/zinc/66/05/98/929660598.db2.gz TVJMKIUJOODWHI-UHFFFAOYSA-N 0 0 403.438 4.470 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCSC[C@H]2c2ccccc2)cc1SC 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4.416 20 5 HIBDRN Cc1cc(C)n(-c2ccc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)cc2F)n1 ZINC000534569660 932572301 /nfs/dbraw/zinc/57/23/01/932572301.db2.gz OTSWOJPCHYABGE-UHFFFAOYSA-N 0 0 409.421 4.127 20 5 HIBDRN CN(C(=O)c1ccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1)c1ccccc1 ZINC000534574210 932574759 /nfs/dbraw/zinc/57/47/59/932574759.db2.gz QHRFWSSVGGBKDX-UHFFFAOYSA-N 0 0 415.449 4.070 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000534606355 932591116 /nfs/dbraw/zinc/59/11/16/932591116.db2.gz QJNABTBJOGEDLV-UHFFFAOYSA-N 0 0 421.482 4.467 20 5 HIBDRN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534642810 932614484 /nfs/dbraw/zinc/61/44/84/932614484.db2.gz YTLMRACARCKUEI-UHFFFAOYSA-N 0 0 420.469 4.238 20 5 HIBDRN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)nc2c1 ZINC000534682221 932652346 /nfs/dbraw/zinc/65/23/46/932652346.db2.gz KPVPSKFAIWYJNT-HXUWFJFHSA-N 0 0 403.442 4.167 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000534692757 932663784 /nfs/dbraw/zinc/66/37/84/932663784.db2.gz RWLIVYCBXPZURX-GAJHUEQPSA-N 0 0 407.470 4.211 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccnc(OCC(F)F)c1 ZINC000534710097 932680262 /nfs/dbraw/zinc/68/02/62/932680262.db2.gz ZJQOLOYIOUWKBR-UHFFFAOYSA-N 0 0 406.370 4.010 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000534723789 932691514 /nfs/dbraw/zinc/69/15/14/932691514.db2.gz ZJMHRTLUOLZQGV-UHFFFAOYSA-N 0 0 410.499 4.336 20 5 HIBDRN COc1ccccc1COc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1C ZINC000534734423 932702496 /nfs/dbraw/zinc/70/24/96/932702496.db2.gz PFWBJZLAEWRGJP-UHFFFAOYSA-N 0 0 407.426 4.447 20 5 HIBDRN CCCOc1c(Cl)cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000534745342 932717115 /nfs/dbraw/zinc/71/71/15/932717115.db2.gz MCJDJKFIFBJSHA-UHFFFAOYSA-N 0 0 404.810 4.174 20 5 HIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000534783352 932765095 /nfs/dbraw/zinc/76/50/95/932765095.db2.gz ONTFRMJUOKNNBV-INIZCTEOSA-N 0 0 412.776 4.063 20 5 HIBDRN COc1cc(C(=O)NCCC[C@H](C)CO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000534785876 932767668 /nfs/dbraw/zinc/76/76/68/932767668.db2.gz MNYYLJGEHVFOHW-ZDUSSCGKSA-N 0 0 422.865 4.188 20 5 HIBDRN C[C@@H]1CCC[C@H](NC(=O)CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000534795068 932775587 /nfs/dbraw/zinc/77/55/87/932775587.db2.gz ZNCRHQDGVSXTMF-LBTNJELSSA-N 0 0 403.504 4.424 20 5 HIBDRN Cc1ncc(-c2ccccc2)cc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000534822563 932793935 /nfs/dbraw/zinc/79/39/35/932793935.db2.gz CYWIYNAPGATBRK-UHFFFAOYSA-N 0 0 417.469 4.319 20 5 HIBDRN O=C(NCC1(c2ccc(F)cc2F)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000534926249 932842011 /nfs/dbraw/zinc/84/20/11/932842011.db2.gz MNQZJOMRJRERAK-UHFFFAOYSA-N 0 0 411.202 4.097 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000534949148 932853331 /nfs/dbraw/zinc/85/33/31/932853331.db2.gz POPYFQQXINTHRT-UHFFFAOYSA-N 0 0 408.863 4.464 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000534950624 932854166 /nfs/dbraw/zinc/85/41/66/932854166.db2.gz NDQCYEUGOHKWPF-GJZGRUSLSA-N 0 0 408.520 4.195 20 5 HIBDRN CCOc1cc2c(cc1OCC)CN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)CC2 ZINC000534960046 932860919 /nfs/dbraw/zinc/86/09/19/932860919.db2.gz PENUAZTWNYIGHY-UHFFFAOYSA-N 0 0 409.442 4.072 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000534970547 932868828 /nfs/dbraw/zinc/86/88/28/932868828.db2.gz FZYKKOPHNZCTMW-CYBMUJFWSA-N 0 0 411.355 4.152 20 5 HIBDRN CO[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000535047433 932891654 /nfs/dbraw/zinc/89/16/54/932891654.db2.gz KHQRCEQBUSHAIH-MRXNPFEDSA-N 0 0 403.866 4.111 20 5 HIBDRN Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] ZINC000535134724 932955401 /nfs/dbraw/zinc/95/54/01/932955401.db2.gz PANPYPUFRVDVKZ-UHFFFAOYSA-N 0 0 411.439 4.235 20 5 HIBDRN O=C(NCCc1cnc(C2CC2)nc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000535150283 932968248 /nfs/dbraw/zinc/96/82/48/932968248.db2.gz VNIWYJYZQMEUBR-UHFFFAOYSA-N 0 0 404.426 4.027 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000535170905 932986535 /nfs/dbraw/zinc/98/65/35/932986535.db2.gz BTLGUJNQZRDONA-JMGYQRAPSA-N 0 0 403.504 4.013 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(Cc2ccsc2)CC1 ZINC000535258188 933039978 /nfs/dbraw/zinc/03/99/78/933039978.db2.gz VKODMTABANWBQC-UHFFFAOYSA-N 0 0 423.494 4.407 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000535283500 933048295 /nfs/dbraw/zinc/04/82/95/933048295.db2.gz LGAUFBVTWFODHX-MRXNPFEDSA-N 0 0 422.222 4.177 20 5 HIBDRN CCOc1cc(C(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)c([N+](=O)[O-])cc1OC ZINC000535287386 933050952 /nfs/dbraw/zinc/05/09/52/933050952.db2.gz FCUJDYKFOKEELB-UHFFFAOYSA-N 0 0 422.850 4.359 20 5 HIBDRN Cc1ccc(O[C@@H](C)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(Br)c1 ZINC000535306697 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419.865 4.170 20 5 HIBDRN COC(=O)c1ccc(OC(C)C)c(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000535507374 933200156 /nfs/dbraw/zinc/20/01/56/933200156.db2.gz LDFTVOLCBXDBDP-UHFFFAOYSA-N 0 0 411.414 4.436 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3coc(-c4ccccc4)n3)co2)cc1 ZINC000535508403 933201883 /nfs/dbraw/zinc/20/18/83/933201883.db2.gz YJLHEPHTTQOROB-LJAQVGFWSA-N 0 0 409.423 4.354 20 5 HIBDRN Cc1noc(C)c1CSc1ccccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000535558724 933242666 /nfs/dbraw/zinc/24/26/66/933242666.db2.gz CVYJFLHOZJQMPB-UHFFFAOYSA-N 0 0 411.483 4.464 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC(c2nc3ccccc3s2)C1 ZINC000535665862 933309552 /nfs/dbraw/zinc/30/95/52/933309552.db2.gz NVBDPUHEKXDACR-GFCCVEGCSA-N 0 0 407.455 4.415 20 5 HIBDRN Cc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)cc1OCC1CCOCC1 ZINC000535695933 933350381 /nfs/dbraw/zinc/35/03/81/933350381.db2.gz HRLXOXUOVDLNOH-UHFFFAOYSA-N 0 0 409.442 4.442 20 5 HIBDRN 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NRNDKZSTVXYGJW-VIFPVBQESA-N 0 0 419.684 4.050 20 5 HIBDRN COc1cc([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC(C)C)cc(OC)c1OC ZINC000540325480 939195334 /nfs/dbraw/zinc/19/53/34/939195334.db2.gz UMFCZTVSOFIWTK-AWEZNQCLSA-N 0 0 404.463 4.259 20 5 HIBDRN COc1cc([C@@H](C)NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(C)C ZINC000540352769 939204417 /nfs/dbraw/zinc/20/44/17/939204417.db2.gz RLXQEAXBTGPWCB-CQSZACIVSA-N 0 0 412.446 4.291 20 5 HIBDRN C[C@@H](NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000540376679 939217438 /nfs/dbraw/zinc/21/74/38/939217438.db2.gz QPAOJQKUZZZAKU-RDTXWAMCSA-N 0 0 424.482 4.278 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)c1ccccc1Br ZINC000540423741 939243299 /nfs/dbraw/zinc/24/32/99/939243299.db2.gz ZRUUVJHIBJSWQJ-UHFFFAOYSA-N 0 0 406.280 4.129 20 5 HIBDRN CN(C(=O)[C@H](c1ccccc1)n1cccn1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540456181 939257804 /nfs/dbraw/zinc/25/78/04/939257804.db2.gz QMQBTWGBAMBQKV-IBGZPJMESA-N 0 0 419.466 4.167 20 5 HIBDRN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000540470565 939265930 /nfs/dbraw/zinc/26/59/30/939265930.db2.gz HXIYYZMQGPXJQZ-HZPDHXFCSA-N 0 0 421.563 4.252 20 5 HIBDRN Cc1cc(C)n(-c2ccc(NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])cn2)n1 ZINC000540492977 939273381 /nfs/dbraw/zinc/27/33/81/939273381.db2.gz RZYGHHRJXDVJPD-UHFFFAOYSA-N 0 0 414.425 4.107 20 5 HIBDRN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000540534505 939293843 /nfs/dbraw/zinc/29/38/43/939293843.db2.gz OSEKOUMTLBAJQV-HOTGVXAUSA-N 0 0 405.248 4.042 20 5 HIBDRN CC(=O)N1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc21 ZINC000540628325 939323175 /nfs/dbraw/zinc/32/31/75/939323175.db2.gz WZUKIOYUAUNVHG-LJQANCHMSA-N 0 0 408.483 4.306 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1)n1cccn1 ZINC000540697969 939342819 /nfs/dbraw/zinc/34/28/19/939342819.db2.gz HCIZJXWJZRECBS-IIBYNOLFSA-N 0 0 419.485 4.424 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000540722247 939348831 /nfs/dbraw/zinc/34/88/31/939348831.db2.gz SIOBWGMHYSTTCR-UHFFFAOYSA-N 0 0 414.487 4.483 20 5 HIBDRN O=C(NCc1ccccn1)c1cccc(N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000540749474 939357929 /nfs/dbraw/zinc/35/79/29/939357929.db2.gz JAJGHNZOPPKRDB-QFIPXVFZSA-N 0 0 416.481 4.353 20 5 HIBDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000540826061 939386030 /nfs/dbraw/zinc/38/60/30/939386030.db2.gz LOCGYYNANRRAKY-SJORKVTESA-N 0 0 419.547 4.246 20 5 HIBDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000540826792 939386550 /nfs/dbraw/zinc/38/65/50/939386550.db2.gz PBAQWWUIXNBPFL-GOEBONIOSA-N 0 0 405.520 4.294 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)cc1[N+](=O)[O-] ZINC000540829226 939387307 /nfs/dbraw/zinc/38/73/07/939387307.db2.gz DNMWXWSXZVDYIG-UHFFFAOYSA-N 0 0 409.446 4.036 20 5 HIBDRN CCOc1ccc([C@H](C)Nc2ccc(CS(=O)(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000540834284 939388995 /nfs/dbraw/zinc/38/89/95/939388995.db2.gz WSIDLMQHEVFYGC-HNNXBMFYSA-N 0 0 406.504 4.490 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000540852315 939395009 /nfs/dbraw/zinc/39/50/09/939395009.db2.gz SDHYQZCDDCOUPG-GOSISDBHSA-N 0 0 419.485 4.325 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000540857284 939397640 /nfs/dbraw/zinc/39/76/40/939397640.db2.gz CDJYUFGMIFEBAZ-UHFFFAOYSA-N 0 0 412.409 4.127 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)nc2c1 ZINC000540863377 939401259 /nfs/dbraw/zinc/40/12/59/939401259.db2.gz OYCJAWLEQVPMAH-HNNXBMFYSA-N 0 0 410.478 4.281 20 5 HIBDRN C[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000540894005 939412847 /nfs/dbraw/zinc/41/28/47/939412847.db2.gz NAERTSNTTNNBES-NSHDSACASA-N 0 0 411.683 4.473 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)n1 ZINC000540939593 939418912 /nfs/dbraw/zinc/41/89/12/939418912.db2.gz VJEFNQOYNVOIRD-UHFFFAOYSA-N 0 0 421.240 4.357 20 5 HIBDRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)CC3 ZINC000541027293 939434813 /nfs/dbraw/zinc/43/48/13/939434813.db2.gz YRUHNSMLXMNDAC-CYBMUJFWSA-N 0 0 415.396 4.273 20 5 HIBDRN CC1(C)C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000541031460 939435811 /nfs/dbraw/zinc/43/58/11/939435811.db2.gz WZLRTLHUOWIHRH-CYBMUJFWSA-N 0 0 410.348 4.368 20 5 HIBDRN Cc1sc(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000541049596 939441526 /nfs/dbraw/zinc/44/15/26/939441526.db2.gz SMADPRBGMDEDOH-AWEZNQCLSA-N 0 0 400.378 4.197 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000541068798 939448878 /nfs/dbraw/zinc/44/88/78/939448878.db2.gz IAXSUSQHVLFSFT-UHFFFAOYSA-N 0 0 424.301 4.170 20 5 HIBDRN COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000541071400 939449960 /nfs/dbraw/zinc/44/99/60/939449960.db2.gz YCJFVMABFAYBOP-HNNXBMFYSA-N 0 0 413.655 4.015 20 5 HIBDRN CO[C@H](C)c1nc(CN2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cs1 ZINC000541070366 939450024 /nfs/dbraw/zinc/45/00/24/939450024.db2.gz XRMGROGUFSRHSI-CQSZACIVSA-N 0 0 424.954 4.120 20 5 HIBDRN COc1ccc(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1[N+](=O)[O-] ZINC000541074069 939451557 /nfs/dbraw/zinc/45/15/57/939451557.db2.gz IPJVNKLYNNSSFU-UHFFFAOYSA-N 0 0 421.438 4.165 20 5 HIBDRN COc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cccc1C(N)=O ZINC000541083737 939453939 /nfs/dbraw/zinc/45/39/39/939453939.db2.gz BPRUPTBYJXHGNX-UHFFFAOYSA-N 0 0 423.450 4.106 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000541090543 939456413 /nfs/dbraw/zinc/45/64/13/939456413.db2.gz SYHYLXQAJXGZHT-SCLBCKFNSA-N 0 0 423.391 4.014 20 5 HIBDRN COc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000541106156 939462420 /nfs/dbraw/zinc/46/24/20/939462420.db2.gz PVJOOUJJSDBRJX-UHFFFAOYSA-N 0 0 420.425 4.177 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129657 939471733 /nfs/dbraw/zinc/47/17/33/939471733.db2.gz OPUANUSQNBSVAB-INIZCTEOSA-N 0 0 412.412 4.434 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000541172736 939484189 /nfs/dbraw/zinc/48/41/89/939484189.db2.gz FBFXSGUGMNWFFQ-UHFFFAOYSA-N 0 0 418.827 4.278 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC000541200179 939485276 /nfs/dbraw/zinc/48/52/76/939485276.db2.gz BRULEVGIZSMKLH-UHFFFAOYSA-N 0 0 410.376 4.376 20 5 HIBDRN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000541250454 939487635 /nfs/dbraw/zinc/48/76/35/939487635.db2.gz DDKVYBLGTKCYBM-KBOKABMXSA-N 0 0 423.498 4.335 20 5 HIBDRN C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000541262541 939488228 /nfs/dbraw/zinc/48/82/28/939488228.db2.gz NVWIGUPWWWUAMO-CYBMUJFWSA-N 0 0 416.890 4.403 20 5 HIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000541268237 939488562 /nfs/dbraw/zinc/48/85/62/939488562.db2.gz USNXRDUTUCTPBU-UHFFFAOYSA-N 0 0 420.347 4.111 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000541272224 939488703 /nfs/dbraw/zinc/48/87/03/939488703.db2.gz KARGRGIGDPMDGT-QGZVFWFLSA-N 0 0 413.302 4.317 20 5 HIBDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541272939 939488796 /nfs/dbraw/zinc/48/87/96/939488796.db2.gz XWABHWPCJMOUJU-CYBMUJFWSA-N 0 0 416.421 4.080 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1)N(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000541276602 939488937 /nfs/dbraw/zinc/48/89/37/939488937.db2.gz WTUHGVBTWVYHHM-AWEZNQCLSA-N 0 0 408.907 4.248 20 5 HIBDRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2c2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000541275553 939488953 /nfs/dbraw/zinc/48/89/53/939488953.db2.gz PDROINRRAPIBME-AUSIDOKSSA-N 0 0 415.453 4.381 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)CSc3ccccc3[N+](=O)[O-])n2)cc1F ZINC000541295329 939489801 /nfs/dbraw/zinc/48/98/01/939489801.db2.gz FVWAINBHACTWCD-GFCCVEGCSA-N 0 0 416.434 4.062 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000541298766 939489991 /nfs/dbraw/zinc/48/99/91/939489991.db2.gz VRFOECSCQBOWDG-UHFFFAOYSA-N 0 0 405.332 4.241 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc2c1CN(c1nccs1)C2 ZINC000541299058 939489993 /nfs/dbraw/zinc/48/99/93/939489993.db2.gz KDHVTJWVVKTSKY-UHFFFAOYSA-N 0 0 412.496 4.302 20 5 HIBDRN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000541305208 939490285 /nfs/dbraw/zinc/49/02/85/939490285.db2.gz NVDITUVORPUHMQ-UHFFFAOYSA-N 0 0 413.499 4.306 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@H](c4ccc(C)cc4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000541388556 939503081 /nfs/dbraw/zinc/50/30/81/939503081.db2.gz ARZVCGYQKMNKPZ-QFIPXVFZSA-N 0 0 418.497 4.395 20 5 HIBDRN CC(C)n1nnnc1-c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000541411689 939509051 /nfs/dbraw/zinc/50/90/51/939509051.db2.gz AKTRPNILEPKCLV-UHFFFAOYSA-N 0 0 420.351 4.100 20 5 HIBDRN O=C(C[C@@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000541474200 939530715 /nfs/dbraw/zinc/53/07/15/939530715.db2.gz WZEVVMFVJQQRCK-ZDUSSCGKSA-N 0 0 408.863 4.197 20 5 HIBDRN O=C(NC[C@@H](O)CCc1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000541527340 939544831 /nfs/dbraw/zinc/54/48/31/939544831.db2.gz VBNGTTUUXUKTMM-IBGZPJMESA-N 0 0 422.506 4.470 20 5 HIBDRN CCc1ccc([C@@H](NCc2nccn2CC(F)(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543909 939549522 /nfs/dbraw/zinc/54/95/22/939549522.db2.gz OHTUQZMFYSDIFF-SFHVURJKSA-N 0 0 408.380 4.388 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000541568109 939556833 /nfs/dbraw/zinc/55/68/33/939556833.db2.gz CNRLIQZZGPKYIJ-OAHLLOKOSA-N 0 0 418.515 4.171 20 5 HIBDRN O=C(NCc1ccccc1)c1cccc(Oc2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC000541576128 939559079 /nfs/dbraw/zinc/55/90/79/939559079.db2.gz XCQWUYWLCSJRAD-UHFFFAOYSA-N 0 0 400.394 4.260 20 5 HIBDRN Cc1c(Br)c(N2CCC[C@H]2CC(=O)c2ccccc2)ncc1[N+](=O)[O-] ZINC000541578808 939559745 /nfs/dbraw/zinc/55/97/45/939559745.db2.gz NUOVAMJPBMAVMT-AWEZNQCLSA-N 0 0 404.264 4.303 20 5 HIBDRN NC(=O)c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1 ZINC000541605842 939567672 /nfs/dbraw/zinc/56/76/72/939567672.db2.gz OTDYVCVEZPDVQQ-UHFFFAOYSA-N 0 0 417.462 4.367 20 5 HIBDRN C[C@H](C(=O)NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000541607783 939568490 /nfs/dbraw/zinc/56/84/90/939568490.db2.gz HYPZMXSTJJKKJJ-AWEZNQCLSA-N 0 0 420.868 4.355 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cn1C ZINC000541620735 939572907 /nfs/dbraw/zinc/57/29/07/939572907.db2.gz XOQNABSBIXFZPZ-UHFFFAOYSA-N 0 0 417.487 4.255 20 5 HIBDRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000541622903 939573400 /nfs/dbraw/zinc/57/34/00/939573400.db2.gz YXFJGCNURFYMPI-HOCLYGCPSA-N 0 0 403.429 4.070 20 5 HIBDRN Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541625366 939573797 /nfs/dbraw/zinc/57/37/97/939573797.db2.gz RWGBHJWZJWZMOA-CYBMUJFWSA-N 0 0 402.520 4.410 20 5 HIBDRN CCC(C)(C)OCc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000541628466 939575560 /nfs/dbraw/zinc/57/55/60/939575560.db2.gz OPOUFVAMHDKQCQ-UHFFFAOYSA-N 0 0 402.447 4.326 20 5 HIBDRN C[C@H](C(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000541693395 939606061 /nfs/dbraw/zinc/60/60/61/939606061.db2.gz GIMUBGZWCBSIDU-HNNXBMFYSA-N 0 0 410.449 4.319 20 5 HIBDRN O=C(NCc1ccn2ccnc2c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541726701 939615108 /nfs/dbraw/zinc/61/51/08/939615108.db2.gz MQBRJDOSRPFOLZ-UHFFFAOYSA-N 0 0 410.499 4.455 20 5 HIBDRN C[C@H](C(=O)N1CCC(CN2CCc3ccccc32)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541726848 939615168 /nfs/dbraw/zinc/61/51/68/939615168.db2.gz NZDPTVGYSWVIKP-INIZCTEOSA-N 0 0 411.477 4.139 20 5 HIBDRN CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2ccc([N+](=O)[O-])cc2C)c1 ZINC000541773484 939627093 /nfs/dbraw/zinc/62/70/93/939627093.db2.gz YYJXLAMQVFYAMX-MRXNPFEDSA-N 0 0 405.520 4.123 20 5 HIBDRN Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1NC(=O)c1ccncc1 ZINC000541781733 939628552 /nfs/dbraw/zinc/62/85/52/939628552.db2.gz OGROWCSJLZPFII-UHFFFAOYSA-N 0 0 409.377 4.334 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1NCc1ccncc1OCC(F)(F)F ZINC000541929469 939656793 /nfs/dbraw/zinc/65/67/93/939656793.db2.gz WQPRXBPUHOFAIN-UHFFFAOYSA-N 0 0 406.158 4.306 20 5 HIBDRN O=C(Nc1c(F)cc(Br)cc1F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541932718 939657277 /nfs/dbraw/zinc/65/72/77/939657277.db2.gz UZCWHQACTZPUEY-UHFFFAOYSA-N 0 0 423.116 4.489 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)n1 ZINC000541935204 939657390 /nfs/dbraw/zinc/65/73/90/939657390.db2.gz NUCNEQBRIUIXNJ-UHFFFAOYSA-N 0 0 411.483 4.465 20 5 HIBDRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000541996142 939673819 /nfs/dbraw/zinc/67/38/19/939673819.db2.gz KSNCICZQWMVSRS-QMTHXVAHSA-N 0 0 407.348 4.460 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cnc(Oc2ccccc2)cn1 ZINC000541997325 939674574 /nfs/dbraw/zinc/67/45/74/939674574.db2.gz JEBAISOTEAPKGF-UHFFFAOYSA-N 0 0 404.304 4.448 20 5 HIBDRN COc1ccc(NC(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1[N+](=O)[O-] ZINC000542028535 939692189 /nfs/dbraw/zinc/69/21/89/939692189.db2.gz ICXYOVDSUPSRSW-UHFFFAOYSA-N 0 0 405.414 4.163 20 5 HIBDRN COc1ccc(NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1[N+](=O)[O-] ZINC000542028703 939692207 /nfs/dbraw/zinc/69/22/07/939692207.db2.gz WMIQFFHBNPUOFK-HNNXBMFYSA-N 0 0 407.373 4.404 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000542055042 939700724 /nfs/dbraw/zinc/70/07/24/939700724.db2.gz JYPGNADVSRWQSU-QFIPXVFZSA-N 0 0 411.502 4.068 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)s1 ZINC000542102965 939714265 /nfs/dbraw/zinc/71/42/65/939714265.db2.gz WEMQTICTNFFMLV-ONGXEEELSA-N 0 0 406.407 4.047 20 5 HIBDRN O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CCc2c1cccc2[N+](=O)[O-] ZINC000542186485 939749209 /nfs/dbraw/zinc/74/92/09/939749209.db2.gz ZWQNTIMIKVREGU-JXFKEZNVSA-N 0 0 413.271 4.151 20 5 HIBDRN O=C([C@H]1C[C@]12CCc1cc(Br)ccc12)N1CCc2c1cccc2[N+](=O)[O-] ZINC000542186488 939749241 /nfs/dbraw/zinc/74/92/41/939749241.db2.gz ZWQNTIMIKVREGU-UZLBHIALSA-N 0 0 413.271 4.151 20 5 HIBDRN CCCc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1cc(F)c(OC)cc1F ZINC000542188558 939749850 /nfs/dbraw/zinc/74/98/50/939749850.db2.gz ZBFWIKNSMVHJGX-UHFFFAOYSA-N 0 0 416.384 4.272 20 5 HIBDRN C/C(=C\c1nc(-c2cccc(CN3CCOCC3)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000542189135 939750421 /nfs/dbraw/zinc/75/04/21/939750421.db2.gz IIAGUBZEMHQRFU-DTQAZKPQSA-N 0 0 406.442 4.038 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000542192319 939751387 /nfs/dbraw/zinc/75/13/87/939751387.db2.gz SGLLHEYUOSIPML-UWJYYQICSA-N 0 0 400.500 4.279 20 5 HIBDRN Cc1c(Br)c(=O)n(Cc2ncc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] ZINC000542219185 939762246 /nfs/dbraw/zinc/76/22/46/939762246.db2.gz CWPOJQVPICFRAM-UHFFFAOYSA-N 0 0 424.638 4.184 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc2c(cc1Cl)OCCO2 ZINC000542222693 939763321 /nfs/dbraw/zinc/76/33/21/939763321.db2.gz LEHBDUKXSURMQL-UHFFFAOYSA-N 0 0 415.254 4.404 20 5 HIBDRN COc1ccc(OCCN[C@H](c2cccc(F)c2F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000542260658 939775583 /nfs/dbraw/zinc/77/55/83/939775583.db2.gz KTTDCOMXSGYWAY-MRXNPFEDSA-N 0 0 406.307 4.154 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN[C@@H](c3cccc(F)c3F)C(F)(F)F)o2)cc1 ZINC000542259675 939775848 /nfs/dbraw/zinc/77/58/48/939775848.db2.gz NLJKVNUBQNCCNI-HNNXBMFYSA-N 0 0 414.290 4.316 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000542316318 939798088 /nfs/dbraw/zinc/79/80/88/939798088.db2.gz OUCMRRBNSXCKDG-IBGZPJMESA-N 0 0 419.268 4.394 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@@H](c4cccc(C)c4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000542320142 939799426 /nfs/dbraw/zinc/79/94/26/939799426.db2.gz VEPULGROCMDBDG-JOCHJYFZSA-N 0 0 418.497 4.395 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCOCC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000542332508 939802013 /nfs/dbraw/zinc/80/20/13/939802013.db2.gz MRUBKKWNVIQELX-UHFFFAOYSA-N 0 0 422.547 4.002 20 5 HIBDRN C[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000542440395 939823479 /nfs/dbraw/zinc/82/34/79/939823479.db2.gz AYCRJRWFWLZUKJ-MAUKXSAKSA-N 0 0 420.473 4.030 20 5 HIBDRN CCc1ccc([C@@H](Nc2ccc(CS(C)(=O)=O)cc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542496667 939832902 /nfs/dbraw/zinc/83/29/02/939832902.db2.gz BBIHDQAYERGTSG-NRFANRHFSA-N 0 0 414.483 4.496 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000542508817 939834627 /nfs/dbraw/zinc/83/46/27/939834627.db2.gz UOHUAYDMSKGKDE-UHFFFAOYSA-N 0 0 416.279 4.475 20 5 HIBDRN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542532255 939838752 /nfs/dbraw/zinc/83/87/52/939838752.db2.gz NJWMANRKGCODAA-YJBOKZPZSA-N 0 0 416.449 4.054 20 5 HIBDRN Cc1c([C@@H](C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cnn1-c1ccc(F)cc1 ZINC000542541472 939840720 /nfs/dbraw/zinc/84/07/20/939840720.db2.gz SDKPLUHKQDGVKP-CHWSQXEVSA-N 0 0 414.412 4.348 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000542542401 939840866 /nfs/dbraw/zinc/84/08/66/939840866.db2.gz UDOMMNTURGUUTL-HOCLYGCPSA-N 0 0 402.422 4.424 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542546486 939841783 /nfs/dbraw/zinc/84/17/83/939841783.db2.gz ZAHBUIMJPSFMQO-ZNMIVQPWSA-N 0 0 401.438 4.090 20 5 HIBDRN COC[C@H](N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)c1ccco1 ZINC000542556317 939843084 /nfs/dbraw/zinc/84/30/84/939843084.db2.gz OBDCCOVOQJTXQA-GHTZIAJQSA-N 0 0 409.442 4.153 20 5 HIBDRN Cc1c(C(=O)Nc2cccc(C(F)F)c2Cl)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000542575801 939845435 /nfs/dbraw/zinc/84/54/35/939845435.db2.gz DQGRNLLONGMYHO-UHFFFAOYSA-N 0 0 407.764 4.327 20 5 HIBDRN Cc1csc([C@H](C)CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000542585713 939846356 /nfs/dbraw/zinc/84/63/56/939846356.db2.gz BJDKUKMXUCMZST-RBSFLKMASA-N 0 0 416.547 4.376 20 5 HIBDRN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000542590707 939846940 /nfs/dbraw/zinc/84/69/40/939846940.db2.gz SRMRWVYPHWSJMW-KSSFIOAISA-N 0 0 408.483 4.174 20 5 HIBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)Cn1cccn1 ZINC000542619636 939849330 /nfs/dbraw/zinc/84/93/30/939849330.db2.gz LMQGGOFRCNFHHX-OAHLLOKOSA-N 0 0 402.520 4.140 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NCCC(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000542623141 939849797 /nfs/dbraw/zinc/84/97/97/939849797.db2.gz PRDPIOAELNMACL-OAHLLOKOSA-N 0 0 423.473 4.195 20 5 HIBDRN COc1ccc(Br)c(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000563740092 945276850 /nfs/dbraw/zinc/27/68/50/945276850.db2.gz SHVOOHHIIBOPBE-UHFFFAOYSA-N 0 0 408.252 4.072 20 5 HIBDRN C[C@H](C(=O)N(Cc1ccccc1)CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000542651326 939851584 /nfs/dbraw/zinc/85/15/84/939851584.db2.gz DVIUXMZVRZOLPI-INIZCTEOSA-N 0 0 400.450 4.171 20 5 HIBDRN Cc1cc2cc([C@@H](C)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)oc2cc1C ZINC000542665130 939852652 /nfs/dbraw/zinc/85/26/52/939852652.db2.gz DHINOOHFBKUDKK-OAHLLOKOSA-N 0 0 402.472 4.082 20 5 HIBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542681829 939853865 /nfs/dbraw/zinc/85/38/65/939853865.db2.gz BRYOBLIXFUUJPN-VQIMIIECSA-N 0 0 406.841 4.309 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000542713974 939856063 /nfs/dbraw/zinc/85/60/63/939856063.db2.gz OCDGTWBVZBYUPZ-GFCCVEGCSA-N 0 0 404.467 4.481 20 5 HIBDRN COc1cccc(C(=O)c2c3c(sc2NC(=O)c2ccc([N+](=O)[O-])cn2)CCC3)c1 ZINC000542830535 939861713 /nfs/dbraw/zinc/86/17/13/939861713.db2.gz XWIDVKMQOXVDMP-UHFFFAOYSA-N 0 0 423.450 4.032 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000542855854 939863506 /nfs/dbraw/zinc/86/35/06/939863506.db2.gz ATOOCVZHFYRAJH-QGZVFWFLSA-N 0 0 420.412 4.060 20 5 HIBDRN C[C@@](NC(=O)CSc1ccc([N+](=O)[O-])cc1)(c1ccc(F)cc1)C(F)(F)F ZINC000542866535 939864129 /nfs/dbraw/zinc/86/41/29/939864129.db2.gz JPDKJVDQUXFAKR-MRXNPFEDSA-N 0 0 402.369 4.420 20 5 HIBDRN COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000542928000 939879477 /nfs/dbraw/zinc/87/94/77/939879477.db2.gz NBQWDYBQWMTCTR-POAQFYNOSA-N 0 0 423.469 4.015 20 5 HIBDRN COc1ccc(NC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000542959205 939886168 /nfs/dbraw/zinc/88/61/68/939886168.db2.gz SUBBRWWAHQMOIX-LLVKDONJSA-N 0 0 413.352 4.427 20 5 HIBDRN COc1ccc(NC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000542963557 939886898 /nfs/dbraw/zinc/88/68/98/939886898.db2.gz SBWOFQVSMYONDI-OAHLLOKOSA-N 0 0 422.441 4.460 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)co2)cc1 ZINC000542986031 939891635 /nfs/dbraw/zinc/89/16/35/939891635.db2.gz HVVITOCRRHTSGY-INIZCTEOSA-N 0 0 421.379 4.302 20 5 HIBDRN COc1ccc(-n2nc(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2C)cc1 ZINC000542989902 939892291 /nfs/dbraw/zinc/89/22/91/939892291.db2.gz DXLMCNPQKJGOQX-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c2)cn1 ZINC000542990908 939892494 /nfs/dbraw/zinc/89/24/94/939892494.db2.gz SAOBCDNETBKGHY-UHFFFAOYSA-N 0 0 408.311 4.406 20 5 HIBDRN Cc1ccnc(OC2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)c1 ZINC000543000999 939893672 /nfs/dbraw/zinc/89/36/72/939893672.db2.gz JDGDEAIEYKAHNX-UHFFFAOYSA-N 0 0 409.364 4.001 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)ccc1OCCO ZINC000543023896 939897509 /nfs/dbraw/zinc/89/75/09/939897509.db2.gz PHYDPMVTFFGKBN-UHFFFAOYSA-N 0 0 421.453 4.139 20 5 HIBDRN C[C@@H](O)C[C@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000543098339 939943631 /nfs/dbraw/zinc/94/36/31/939943631.db2.gz MSPPZKFMVMMPHX-NWDGAFQWSA-N 0 0 417.512 4.245 20 5 HIBDRN Cc1ccc(-c2nnc(NC(=O)CSc3ccccc3[N+](=O)[O-])s2)c(C)c1 ZINC000543120410 939955985 /nfs/dbraw/zinc/95/59/85/939955985.db2.gz DYCFFQKYFCWRMO-UHFFFAOYSA-N 0 0 400.485 4.461 20 5 HIBDRN COC(=O)[C@H](C)[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000543123637 939957482 /nfs/dbraw/zinc/95/74/82/939957482.db2.gz SWWZCILDEHKUIZ-KZULUSFZSA-N 0 0 422.890 4.007 20 5 HIBDRN COC[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000543129745 939961633 /nfs/dbraw/zinc/96/16/33/939961633.db2.gz QOBMIAHZNUTQTC-CQSZACIVSA-N 0 0 416.833 4.122 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2sc(-c3ccccc3)nc2C)cc([N+](=O)[O-])c1 ZINC000543134114 939963708 /nfs/dbraw/zinc/96/37/08/939963708.db2.gz ASMCHAVKPOQSMW-UHFFFAOYSA-N 0 0 411.439 4.456 20 5 HIBDRN COc1ccc(-n2ccnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000543148041 939972006 /nfs/dbraw/zinc/97/20/06/939972006.db2.gz XGEQLWPOLIIQFR-UHFFFAOYSA-N 0 0 412.471 4.137 20 5 HIBDRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000543150916 939974814 /nfs/dbraw/zinc/97/48/14/939974814.db2.gz FWLFIPSGXGVSQK-LBPRGKRZSA-N 0 0 409.305 4.197 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1nc2c(s1)CCCC2 ZINC000543155132 939977752 /nfs/dbraw/zinc/97/77/52/939977752.db2.gz GXUXJNUWJVYOAI-UHFFFAOYSA-N 0 0 411.936 4.035 20 5 HIBDRN O=C(c1cnc(OCC2CC2)c(Cl)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000543154424 939977788 /nfs/dbraw/zinc/97/77/88/939977788.db2.gz IMBNALGKXPTUMK-UHFFFAOYSA-N 0 0 401.850 4.237 20 5 HIBDRN Cc1cn(-c2ncccc2F)nc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543154926 939978017 /nfs/dbraw/zinc/97/80/17/939978017.db2.gz FXLRFOXYKMXVJY-UHFFFAOYSA-N 0 0 421.841 4.007 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000543162716 939981759 /nfs/dbraw/zinc/98/17/59/939981759.db2.gz KBLXFOXRAHETJI-CQSZACIVSA-N 0 0 401.488 4.162 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(Br)s1 ZINC000543189442 939990735 /nfs/dbraw/zinc/99/07/35/939990735.db2.gz QXKNOXCRAHTHGI-CYBMUJFWSA-N 0 0 410.293 4.466 20 5 HIBDRN O=C(NCC[C@H]1CCOC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000543224291 940000737 /nfs/dbraw/zinc/00/07/37/940000737.db2.gz OUNCDOKEAZPOBN-AWEZNQCLSA-N 0 0 403.866 4.017 20 5 HIBDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543295463 940021136 /nfs/dbraw/zinc/02/11/36/940021136.db2.gz GPQVPOOWKMKTRD-ADLMAVQZSA-N 0 0 412.870 4.372 20 5 HIBDRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000543308572 940024761 /nfs/dbraw/zinc/02/47/61/940024761.db2.gz TUSBZFOQWONHNI-RBBKRZOGSA-N 0 0 403.438 4.369 20 5 HIBDRN COCc1nc2cc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])ccc2o1 ZINC000543331211 940033236 /nfs/dbraw/zinc/03/32/36/940033236.db2.gz QLHXVKJQTQKTCX-UHFFFAOYSA-N 0 0 407.835 4.267 20 5 HIBDRN Cc1c(C(=O)NCCc2c[nH]c3ccc(Br)cc23)cccc1[N+](=O)[O-] ZINC000543356195 940040742 /nfs/dbraw/zinc/04/07/42/940040742.db2.gz JQFKTSBMMPKBSX-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000543370419 940044399 /nfs/dbraw/zinc/04/43/99/940044399.db2.gz KOJHIGDRAKLKEG-QVKFZJNVSA-N 0 0 406.442 4.012 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000543382926 940047407 /nfs/dbraw/zinc/04/74/07/940047407.db2.gz ADBIBRASAXLSNH-UHFFFAOYSA-N 0 0 401.438 4.397 20 5 HIBDRN CC(=O)Nc1cccnc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000543391413 940049625 /nfs/dbraw/zinc/04/96/25/940049625.db2.gz QBRQEXGRYLNLSK-UHFFFAOYSA-N 0 0 408.439 4.352 20 5 HIBDRN O=[N+]([O-])c1ccc(CNCc2cc(Br)c3c(c2)OCCO3)c(Cl)c1 ZINC000543406008 940054933 /nfs/dbraw/zinc/05/49/33/940054933.db2.gz FJOGZISYPHAQGP-UHFFFAOYSA-N 0 0 413.655 4.072 20 5 HIBDRN CN(Cc1cscn1)Cc1cccc(Nc2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC000543435732 940063600 /nfs/dbraw/zinc/06/36/00/940063600.db2.gz XAUVMMCKWUASQH-UHFFFAOYSA-N 0 0 406.471 4.370 20 5 HIBDRN C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2n1C(F)F ZINC000543438290 940064293 /nfs/dbraw/zinc/06/42/93/940064293.db2.gz LGSIWGLVRADXES-QWRGUYRKSA-N 0 0 406.364 4.460 20 5 HIBDRN C[C@@H](C(=O)Nc1nc2cc(Br)ccc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000543440757 940064612 /nfs/dbraw/zinc/06/46/12/940064612.db2.gz GTOYDJHKXCJMIB-MRVPVSSYSA-N 0 0 407.199 4.115 20 5 HIBDRN Cc1cc(Br)cc2c1CN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000543451269 940067315 /nfs/dbraw/zinc/06/73/15/940067315.db2.gz JYNBRDFAKJGNHX-GFCCVEGCSA-N 0 0 421.266 4.493 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543450672 940067320 /nfs/dbraw/zinc/06/73/20/940067320.db2.gz QUPKFEBZWNZTBN-HNNXBMFYSA-N 0 0 421.428 4.406 20 5 HIBDRN C[C@H](C(=O)Nc1cccc2c1CN(c1nccs1)C2)c1ccc([N+](=O)[O-])cc1F ZINC000543456581 940068131 /nfs/dbraw/zinc/06/81/31/940068131.db2.gz NVPVXUKZVYVOLC-LBPRGKRZSA-N 0 0 412.446 4.453 20 5 HIBDRN C[C@H](C(=O)NCc1cccc(NC(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543457126 940068211 /nfs/dbraw/zinc/06/82/11/940068211.db2.gz HMVUCZACNISUAT-HNNXBMFYSA-N 0 0 421.428 4.406 20 5 HIBDRN COC(=O)CCSc1cccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000543456148 940068214 /nfs/dbraw/zinc/06/82/14/940068214.db2.gz ACLQEHRSZYQJIH-GFCCVEGCSA-N 0 0 406.435 4.131 20 5 HIBDRN C[C@H](C(=O)NCc1ccc(Oc2cccc(F)c2)nc1)c1ccc([N+](=O)[O-])cc1F ZINC000543463689 940071989 /nfs/dbraw/zinc/07/19/89/940071989.db2.gz ZLXBJHMAXWRFMN-ZDUSSCGKSA-N 0 0 413.380 4.480 20 5 HIBDRN C[C@H](C(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543469233 940074239 /nfs/dbraw/zinc/07/42/39/940074239.db2.gz ODUCWRPONFXRPM-LBPRGKRZSA-N 0 0 408.376 4.186 20 5 HIBDRN C[C@@H](C(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543469225 940074443 /nfs/dbraw/zinc/07/44/43/940074443.db2.gz ODUCWRPONFXRPM-GFCCVEGCSA-N 0 0 408.376 4.186 20 5 HIBDRN C[C@@H](C(=O)NCCOc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000543472963 940075581 /nfs/dbraw/zinc/07/55/81/940075581.db2.gz QZGQEYVWNHSFIW-LLVKDONJSA-N 0 0 400.328 4.051 20 5 HIBDRN O=C(c1cc(N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000543482049 940078457 /nfs/dbraw/zinc/07/84/57/940078457.db2.gz QPSBWPMPCRQUBS-NQIIRXRSSA-N 0 0 413.449 4.302 20 5 HIBDRN O=C(NCc1cc(Cl)cc2c1OCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000543490753 940082158 /nfs/dbraw/zinc/08/21/58/940082158.db2.gz PQXJOVLIHYWCLT-UHFFFAOYSA-N 0 0 400.740 4.132 20 5 HIBDRN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000543495803 940084600 /nfs/dbraw/zinc/08/46/00/940084600.db2.gz SQYZOGAFEDITMM-SNVBAGLBSA-N 0 0 422.308 4.065 20 5 HIBDRN COC(=O)c1sc(NC(=O)CCc2cccc([N+](=O)[O-])c2)nc1C1CCCC1 ZINC000543507556 940089310 /nfs/dbraw/zinc/08/93/10/940089310.db2.gz FOLFTGLXOPMYLA-UHFFFAOYSA-N 0 0 403.460 4.067 20 5 HIBDRN C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000543512157 940090660 /nfs/dbraw/zinc/09/06/60/940090660.db2.gz ROSHZCXMANUJNV-YVEFUNNKSA-N 0 0 409.364 4.154 20 5 HIBDRN Cc1csc([C@H](C)CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000543514359 940091584 /nfs/dbraw/zinc/09/15/84/940091584.db2.gz ZUHMNCJESPTHPY-CQSZACIVSA-N 0 0 402.520 4.130 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000543551177 940106339 /nfs/dbraw/zinc/10/63/39/940106339.db2.gz NZOLLDRRVBREDS-CYBMUJFWSA-N 0 0 422.478 4.189 20 5 HIBDRN C[C@H](C(=O)N1CCCCC[C@H]1CC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000543580576 940118124 /nfs/dbraw/zinc/11/81/24/940118124.db2.gz FYXQNSWXTJHYKZ-GJZGRUSLSA-N 0 0 402.422 4.475 20 5 HIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCc2c(Br)ccc(F)c2C1 ZINC000543625814 940139751 /nfs/dbraw/zinc/13/97/51/940139751.db2.gz ZNDJMMIDJBWOLN-UHFFFAOYSA-N 0 0 418.222 4.176 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)c(OCC(F)(F)F)c1 ZINC000543642169 940147100 /nfs/dbraw/zinc/14/71/00/940147100.db2.gz RYRDFCVYOKBOEA-UHFFFAOYSA-N 0 0 401.316 4.305 20 5 HIBDRN COc1cc(C(=O)NCc2c[nH]nc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543699614 940163551 /nfs/dbraw/zinc/16/35/51/940163551.db2.gz VAUHQNWCRZCCJU-UHFFFAOYSA-N 0 0 416.821 4.011 20 5 HIBDRN 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940188118 /nfs/dbraw/zinc/18/81/18/940188118.db2.gz WXEOSJJVEWUSCH-UHFFFAOYSA-N 0 0 420.469 4.299 20 5 HIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000543834942 940203650 /nfs/dbraw/zinc/20/36/50/940203650.db2.gz IZDBYYLMWSQNKO-MRXNPFEDSA-N 0 0 414.767 4.481 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccnc(OCC(F)(F)F)c1 ZINC000543853142 940209403 /nfs/dbraw/zinc/20/94/03/940209403.db2.gz CLLSSYLYJHEEDF-UHFFFAOYSA-N 0 0 409.242 4.202 20 5 HIBDRN COc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1[N+](=O)[O-] ZINC000543859779 940213541 /nfs/dbraw/zinc/21/35/41/940213541.db2.gz ZQMYPJZKNPMLHL-UHFFFAOYSA-N 0 0 414.849 4.371 20 5 HIBDRN COc1ccc(NC(=O)N(CCc2ccccc2)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000543889602 940228112 /nfs/dbraw/zinc/22/81/12/940228112.db2.gz REAWXTSWHHOGIN-UHFFFAOYSA-N 0 0 406.442 4.275 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000543900457 940233015 /nfs/dbraw/zinc/23/30/15/940233015.db2.gz ADGOFPLOFINSQT-ZDUSSCGKSA-N 0 0 408.336 4.034 20 5 HIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543923283 940247561 /nfs/dbraw/zinc/24/75/61/940247561.db2.gz KGPSJJRLGIGSMU-INIZCTEOSA-N 0 0 414.767 4.481 20 5 HIBDRN CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000543997173 940290006 /nfs/dbraw/zinc/29/00/06/940290006.db2.gz WZFJANPVAHJLTA-GOSISDBHSA-N 0 0 405.886 4.018 20 5 HIBDRN COc1ccc([C@@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000544048928 940310233 /nfs/dbraw/zinc/31/02/33/940310233.db2.gz CUBGIGGSBPPGKW-CQSZACIVSA-N 0 0 406.891 4.365 20 5 HIBDRN C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000544053410 940312266 /nfs/dbraw/zinc/31/22/66/940312266.db2.gz ZBFUOBMIPCFPJO-DYVFJYSZSA-N 0 0 406.891 4.329 20 5 HIBDRN Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000544059137 940313645 /nfs/dbraw/zinc/31/36/45/940313645.db2.gz TUAMMNPDLWYJAF-UHFFFAOYSA-N 0 0 411.418 4.154 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 ZINC000544072340 940317944 /nfs/dbraw/zinc/31/79/44/940317944.db2.gz UUJFYNWBSCUDTC-NRFANRHFSA-N 0 0 413.499 4.077 20 5 HIBDRN NC(=O)c1cccc(Oc2ccc(NC(=O)CSc3ccccc3[N+](=O)[O-])cc2)c1 ZINC000544074379 940318231 /nfs/dbraw/zinc/31/82/31/940318231.db2.gz ROHQKYICHCSMKS-UHFFFAOYSA-N 0 0 423.450 4.217 20 5 HIBDRN CC[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000544074631 940318932 /nfs/dbraw/zinc/31/89/32/940318932.db2.gz KKENYVQRGURUQE-CQSZACIVSA-N 0 0 422.890 4.379 20 5 HIBDRN CCn1c2ccc(F)cc2nc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000544089823 940323141 /nfs/dbraw/zinc/32/31/41/940323141.db2.gz GSDVOQGOLDLFQA-UHFFFAOYSA-N 0 0 421.226 4.047 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000563841548 945311658 /nfs/dbraw/zinc/31/16/58/945311658.db2.gz LTHPXRZKHUUBDH-ZDUSSCGKSA-N 0 0 409.417 4.265 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000544089945 940323460 /nfs/dbraw/zinc/32/34/60/940323460.db2.gz CQTBVMWMACLBRW-AWEZNQCLSA-N 0 0 417.556 4.428 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000544108637 940328625 /nfs/dbraw/zinc/32/86/25/940328625.db2.gz AWZSLGBSLZPKFU-ZDUSSCGKSA-N 0 0 419.503 4.147 20 5 HIBDRN CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000544124595 940332555 /nfs/dbraw/zinc/33/25/55/940332555.db2.gz ZMCGYUARLXLKTF-ZDUSSCGKSA-N 0 0 404.385 4.101 20 5 HIBDRN CCOC(=O)c1cc(NCCCc2nc(-c3ccc(F)cc3)no2)ccc1[N+](=O)[O-] ZINC000544128824 940333523 /nfs/dbraw/zinc/33/35/23/940333523.db2.gz FBZMQCNFWLGERV-UHFFFAOYSA-N 0 0 414.393 4.005 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2cccc(Cl)c2O1 ZINC000544129250 940333569 /nfs/dbraw/zinc/33/35/69/940333569.db2.gz TVWNIILVAKIKKG-MRXNPFEDSA-N 0 0 412.833 4.252 20 5 HIBDRN CCOc1cccc2cc([C@H](C)NC(=O)NCc3cc([N+](=O)[O-])ccc3OC)oc21 ZINC000544145359 940337750 /nfs/dbraw/zinc/33/77/50/940337750.db2.gz IVTWGHCXWPZJAL-ZDUSSCGKSA-N 0 0 413.430 4.309 20 5 HIBDRN Cc1ccnn1-c1ccccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000544161780 940340249 /nfs/dbraw/zinc/34/02/49/940340249.db2.gz GURHBWFOLLUEOP-UHFFFAOYSA-N 0 0 420.347 4.282 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCOCC3(CCOCC3)C2)ccc1Oc1ccc(F)cc1 ZINC000544347838 940396599 /nfs/dbraw/zinc/39/65/99/940396599.db2.gz VFAZOPCZYCEJPD-UHFFFAOYSA-N 0 0 416.449 4.155 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCc1nc(Cc2cn3cc(Cl)cc(Cl)c3n2)no1 ZINC000544392630 940410315 /nfs/dbraw/zinc/41/03/15/940410315.db2.gz ROVFRJLORMGZEG-UHFFFAOYSA-N 0 0 420.212 4.102 20 5 HIBDRN CCCN(CC(=O)Nc1ccccc1C)c1ncc([N+](=O)[O-])c(C)c1Br ZINC000544393014 940410385 /nfs/dbraw/zinc/41/03/85/940410385.db2.gz NWKQHTPMNJDIIQ-UHFFFAOYSA-N 0 0 421.295 4.224 20 5 HIBDRN Cc1c(Br)c(N[C@H](c2nccn2C)c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000544410370 940416068 /nfs/dbraw/zinc/41/60/68/940416068.db2.gz LJBFTIOYOJRRLH-HNNXBMFYSA-N 0 0 420.242 4.135 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC000544418969 940418403 /nfs/dbraw/zinc/41/84/03/940418403.db2.gz ZAMZMPVEKVLUBD-STQMWFEESA-N 0 0 412.421 4.327 20 5 HIBDRN COc1ccccc1C1(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000544430664 940427612 /nfs/dbraw/zinc/42/76/12/940427612.db2.gz OTVGGYYFNWWKPC-OAHLLOKOSA-N 0 0 400.450 4.474 20 5 HIBDRN C[C@@H](C(=O)Nc1nnc(Cc2ccccc2F)s1)c1ccc([N+](=O)[O-])cc1F ZINC000544442480 940432435 /nfs/dbraw/zinc/43/24/35/940432435.db2.gz BWBQIYYXPZWUJM-SNVBAGLBSA-N 0 0 404.398 4.058 20 5 HIBDRN Cc1ccc(NC(=O)Cc2nc(CN3CCc4ccc([N+](=O)[O-])cc43)cs2)cc1 ZINC000544481291 940450489 /nfs/dbraw/zinc/45/04/89/940450489.db2.gz GRJKWZQSEGWFQF-UHFFFAOYSA-N 0 0 408.483 4.104 20 5 HIBDRN C[C@H](C(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544488295 940454321 /nfs/dbraw/zinc/45/43/21/940454321.db2.gz DXNMAVPCFYOIKT-AWEZNQCLSA-N 0 0 423.448 4.029 20 5 HIBDRN C[C@H](C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000544507536 940459548 /nfs/dbraw/zinc/45/95/48/940459548.db2.gz YIURFESROAWKFQ-OLZOCXBDSA-N 0 0 406.483 4.165 20 5 HIBDRN C[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccc(Br)cc2)no1 ZINC000544511470 940462957 /nfs/dbraw/zinc/46/29/57/940462957.db2.gz GAGYBMKLXKBXRN-JTQLQIEISA-N 0 0 421.226 4.397 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(-c2cnn(-c3ccc(Cl)cc3)c2)n1 ZINC000544565041 940480332 /nfs/dbraw/zinc/48/03/32/940480332.db2.gz ZDAVSWVCRPBSST-UHFFFAOYSA-N 0 0 410.821 4.139 20 5 HIBDRN CCn1c2ccccc2nc1SCc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000544564771 940480424 /nfs/dbraw/zinc/48/04/24/940480424.db2.gz VPESZXXVPNIPCW-UHFFFAOYSA-N 0 0 424.486 4.294 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3cnc(-c4ccccc4)nc3)no2)ccc1N1CCCC1 ZINC000544582633 940484117 /nfs/dbraw/zinc/48/41/17/940484117.db2.gz LCJMPMAXQSFWDC-UHFFFAOYSA-N 0 0 414.425 4.369 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(CCc2ccc(-c3ccccc3)[nH]2)n1 ZINC000544589399 940485502 /nfs/dbraw/zinc/48/55/02/940485502.db2.gz WOKWTOCLTCEDSK-UHFFFAOYSA-N 0 0 403.442 4.413 20 5 HIBDRN CN(Cc1nc(-c2ccc(Oc3cccnc3)cc2)no1)c1ccccc1[N+](=O)[O-] ZINC000544610498 940489996 /nfs/dbraw/zinc/48/99/96/940489996.db2.gz WCIPMNNGEDCWTF-UHFFFAOYSA-N 0 0 403.398 4.469 20 5 HIBDRN C[C@H](NC(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000544620400 940492247 /nfs/dbraw/zinc/49/22/47/940492247.db2.gz KGWDBZOUZSUVCW-DCPHZVHLSA-N 0 0 401.438 4.357 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000544622897 940492291 /nfs/dbraw/zinc/49/22/91/940492291.db2.gz YRLWUUQTYFCEPV-AWEZNQCLSA-N 0 0 416.457 4.311 20 5 HIBDRN O=C(NCc1ccco1)Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000544624716 940492660 /nfs/dbraw/zinc/49/26/60/940492660.db2.gz XNXROXNQCLKPCW-UHFFFAOYSA-N 0 0 413.365 4.293 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N(C)C[C@@H](O)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000544660629 940499761 /nfs/dbraw/zinc/49/97/61/940499761.db2.gz 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Cc1csc(Sc2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)c(C)c2)n1 ZINC000544742555 940509736 /nfs/dbraw/zinc/50/97/36/940509736.db2.gz UMCIXUMYDUHDHW-UHFFFAOYSA-N 0 0 401.473 4.049 20 5 HIBDRN Cc1ccc2c(C3=CCN(S(=O)(=O)Cc4ccccc4[N+](=O)[O-])CC3)c[nH]c2c1 ZINC000544747301 940510287 /nfs/dbraw/zinc/51/02/87/940510287.db2.gz COSHUIPZHOTUCW-UHFFFAOYSA-N 0 0 411.483 4.004 20 5 HIBDRN Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000544757268 940511222 /nfs/dbraw/zinc/51/12/22/940511222.db2.gz QYEUNRLLHWUGHX-SFHVURJKSA-N 0 0 424.501 4.000 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(-c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc1 ZINC000544887149 940521743 /nfs/dbraw/zinc/52/17/43/940521743.db2.gz VPUGSCPADBMZAU-UHFFFAOYSA-N 0 0 420.429 4.178 20 5 HIBDRN CCCOc1ccc(-c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc1OC ZINC000544897397 940522796 /nfs/dbraw/zinc/52/27/96/940522796.db2.gz KCDKBCYYWHXSRB-UHFFFAOYSA-N 0 0 408.414 4.445 20 5 HIBDRN COCCn1cc2c(n1)[C@@H](N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CCC2 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COCCCOc1cc(C)ccc1-c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000545039122 940535830 /nfs/dbraw/zinc/53/58/30/940535830.db2.gz DTESUNCVLZEXCY-UHFFFAOYSA-N 0 0 422.441 4.441 20 5 HIBDRN COc1cc(Cc2noc(-c3cc4c(cccc4OC(F)F)[nH]3)n2)ccc1[N+](=O)[O-] ZINC000545047602 940536826 /nfs/dbraw/zinc/53/68/26/940536826.db2.gz WSXALISLTOPAGJ-UHFFFAOYSA-N 0 0 416.340 4.327 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc(-c4nc(C5CC5)no4)cc3)n2)ccc1[N+](=O)[O-] ZINC000545052156 940537215 /nfs/dbraw/zinc/53/72/15/940537215.db2.gz ABOULAWBMWOOSS-UHFFFAOYSA-N 0 0 419.397 4.172 20 5 HIBDRN COc1cc(Cc2noc(COc3c(Cl)cccc3Cl)n2)ccc1[N+](=O)[O-] ZINC000545054680 940537688 /nfs/dbraw/zinc/53/76/88/940537688.db2.gz GXKYRQNUFRERMT-UHFFFAOYSA-N 0 0 410.213 4.463 20 5 HIBDRN COc1cc(Cc2noc(-c3cccc(Oc4ccncc4)c3)n2)ccc1[N+](=O)[O-] ZINC000545055975 940537815 /nfs/dbraw/zinc/53/78/15/940537815.db2.gz VCHGCUGOUBVBDR-UHFFFAOYSA-N 0 0 404.382 4.432 20 5 HIBDRN C[C@H](Sc1nncn1C)c1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1 ZINC000545057874 940538003 /nfs/dbraw/zinc/53/80/03/940538003.db2.gz UYQJNPGVLYLVBY-LBPRGKRZSA-N 0 0 424.442 4.419 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2cc(Cl)ccc2O[C@@H]2CCOC2)no1 ZINC000545071835 940539239 /nfs/dbraw/zinc/53/92/39/940539239.db2.gz SIYSIGAFOWCAJD-CQSZACIVSA-N 0 0 401.806 4.441 20 5 HIBDRN C[C@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccc(Br)cc1 ZINC000545079051 940540315 /nfs/dbraw/zinc/54/03/15/940540315.db2.gz SJPWYJUOIASLFW-LLVKDONJSA-N 0 0 403.236 4.072 20 5 HIBDRN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000545108012 940543354 /nfs/dbraw/zinc/54/33/54/940543354.db2.gz BJPPVDAYUWKCSI-UHFFFAOYSA-N 0 0 411.483 4.114 20 5 HIBDRN C[C@H](C(=O)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000545108352 940543426 /nfs/dbraw/zinc/54/34/26/940543426.db2.gz HOHKUBYQCQPGQU-HXPMCKFVSA-N 0 0 416.840 4.130 20 5 HIBDRN CC(C)(C)OCCOc1cccc(-c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)n1 ZINC000545108845 940543472 /nfs/dbraw/zinc/54/34/72/940543472.db2.gz SAZMIBKPKUGVQP-UHFFFAOYSA-N 0 0 402.382 4.040 20 5 HIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1SCC1CCN(C(=O)C(C)(C)C)CC1 ZINC000545133519 940547020 /nfs/dbraw/zinc/54/70/20/940547020.db2.gz WNWWHAYBAVEVOH-UHFFFAOYSA-N 0 0 423.582 4.464 20 5 HIBDRN CN1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000545142444 940549340 /nfs/dbraw/zinc/54/93/40/940549340.db2.gz RMNTWKLUFRFGGG-MOPGFXCFSA-N 0 0 419.884 4.227 20 5 HIBDRN Cc1cc(Cc2noc(-c3cccc(-c4noc(C5CC5)n4)c3)n2)ccc1[N+](=O)[O-] ZINC000545145349 940550320 /nfs/dbraw/zinc/55/03/20/940550320.db2.gz FLUKLKLEFFWQSF-UHFFFAOYSA-N 0 0 403.398 4.471 20 5 HIBDRN Cc1cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c2cnn(C(C)C)c2n1 ZINC000545145949 940550721 /nfs/dbraw/zinc/55/07/21/940550721.db2.gz RMWAUVDLASLYBO-UHFFFAOYSA-N 0 0 417.429 4.351 20 5 HIBDRN CCOC(=O)C[C@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1cccc(OC)c1 ZINC000545211217 940556191 /nfs/dbraw/zinc/55/61/91/940556191.db2.gz GBBISLGECWQLOX-SFHVURJKSA-N 0 0 415.446 4.036 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC000545251579 940558695 /nfs/dbraw/zinc/55/86/95/940558695.db2.gz JRWKQNWSWKJVFK-LBPRGKRZSA-N 0 0 400.460 4.303 20 5 HIBDRN COc1ccc(CC(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000545258540 940559042 /nfs/dbraw/zinc/55/90/42/940559042.db2.gz RNDPZVLDDMKGSC-UHFFFAOYSA-N 0 0 406.841 4.287 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H](C)c3nnc(C)s3)cc2[N+](=O)[O-])n1 ZINC000545352726 940564072 /nfs/dbraw/zinc/56/40/72/940564072.db2.gz FRWOELMJALDLIL-SECBINFHSA-N 0 0 421.529 4.162 20 5 HIBDRN O=C(NCc1nc2ccccc2n1C1CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000545372443 940566405 /nfs/dbraw/zinc/56/64/05/940566405.db2.gz PHSDHKDQBOWGEC-UHFFFAOYSA-N 0 0 404.348 4.228 20 5 HIBDRN CC(C)Cn1nc(-c2ccccc2)cc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545380953 940567424 /nfs/dbraw/zinc/56/74/24/940567424.db2.gz OJIJKCQVLZEPOM-UHFFFAOYSA-N 0 0 414.487 4.056 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1 ZINC000545428394 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408.183 4.146 20 5 HIBDRN O=C(Nc1cccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c1)c1ccco1 ZINC000545668499 940579759 /nfs/dbraw/zinc/57/97/59/940579759.db2.gz ABFMIBPMVLQMBO-UHFFFAOYSA-N 0 0 419.397 4.145 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(-c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000545708181 940581781 /nfs/dbraw/zinc/58/17/81/940581781.db2.gz SHURPBNVBQLLBD-UHFFFAOYSA-N 0 0 406.402 4.323 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)no1 ZINC000545718843 940582205 /nfs/dbraw/zinc/58/22/05/940582205.db2.gz MBLVVMBBYOVFNM-MRVPVSSYSA-N 0 0 401.766 4.020 20 5 HIBDRN COc1c(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cnc2ccccc21 ZINC000545732020 940582803 /nfs/dbraw/zinc/58/28/03/940582803.db2.gz DUWQHJDTNCIIFR-UHFFFAOYSA-N 0 0 414.381 4.054 20 5 HIBDRN O=[N+]([O-])c1cccc(Oc2ccc(-c3noc([C@@H]4CCc5c[nH]nc5C4)n3)cc2)c1 ZINC000545764763 940584599 /nfs/dbraw/zinc/58/45/99/940584599.db2.gz ZCUHQWZVOWMQNK-CQSZACIVSA-N 0 0 403.398 4.433 20 5 HIBDRN O=C(Nc1cccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1)C1CC1 ZINC000545782642 940590193 /nfs/dbraw/zinc/59/01/93/940590193.db2.gz GOGPHHPHUQUTCF-UHFFFAOYSA-N 0 0 403.398 4.065 20 5 HIBDRN CC(C)C[C@H](c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)N1CCCCC1=O ZINC000545786027 940592488 /nfs/dbraw/zinc/59/24/88/940592488.db2.gz PSGKJFRBYAQEBB-GOSISDBHSA-N 0 0 411.462 4.150 20 5 HIBDRN CC(C)C[C@@H](c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)N1CCCCC1=O ZINC000545786030 940592776 /nfs/dbraw/zinc/59/27/76/940592776.db2.gz PSGKJFRBYAQEBB-SFHVURJKSA-N 0 0 411.462 4.150 20 5 HIBDRN Cc1ccc(-c2cc(CSc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)on2)cc1 ZINC000545816184 940610757 /nfs/dbraw/zinc/61/07/57/940610757.db2.gz FNTBDZMUWGGWND-UHFFFAOYSA-N 0 0 408.439 4.097 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000545831196 940620330 /nfs/dbraw/zinc/62/03/30/940620330.db2.gz STQSLOQICYQWDP-MRXNPFEDSA-N 0 0 419.503 4.133 20 5 HIBDRN 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COc1ccc(OC)c(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)c1 ZINC000546232148 940737600 /nfs/dbraw/zinc/73/76/00/940737600.db2.gz BIYLWCRJLRUMSK-UHFFFAOYSA-N 0 0 406.192 4.092 20 5 HIBDRN Nc1ccc(-c2noc([C@@H]3C[C@H]3c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] ZINC000546257280 940750423 /nfs/dbraw/zinc/75/04/23/940750423.db2.gz MTOPUHLPGKFZPG-QWHCGFSZSA-N 0 0 401.220 4.261 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1nc(Cc2nc(=O)c3c(C4CC4)csc3[nH]2)no1 ZINC000546278007 940758942 /nfs/dbraw/zinc/75/89/42/940758942.db2.gz IAIIVQGNTAOYET-UHFFFAOYSA-N 0 0 409.427 4.132 20 5 HIBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2CN2CCCC2=O)no1 ZINC000546285843 940764594 /nfs/dbraw/zinc/76/45/94/940764594.db2.gz VPZATRYHOQUWSJ-SQFISAMPSA-N 0 0 404.426 4.328 20 5 HIBDRN COc1cccc(Cc2noc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)n2)c1 ZINC000546295635 940768832 /nfs/dbraw/zinc/76/88/32/940768832.db2.gz PMXFDHWCVYDVJE-UHFFFAOYSA-N 0 0 419.441 4.106 20 5 HIBDRN CCOc1ccc(-c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)cc1[N+](=O)[O-] ZINC000546300750 940771361 /nfs/dbraw/zinc/77/13/61/940771361.db2.gz DCKFPDKWJLSIKU-UHFFFAOYSA-N 0 0 410.361 4.428 20 5 HIBDRN CN1CC[C@H](c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)c2ccccc21 ZINC000546344989 940796586 /nfs/dbraw/zinc/79/65/86/940796586.db2.gz BNQUXRHWUBVQIO-ZDUSSCGKSA-N 0 0 402.357 4.218 20 5 HIBDRN CCOc1cc(Cc2noc(CCc3cccc([N+](=O)[O-])c3)n2)ccc1OC(F)F ZINC000546351329 940799212 /nfs/dbraw/zinc/79/92/12/940799212.db2.gz FSUPQPAMMCHMPH-UHFFFAOYSA-N 0 0 419.384 4.354 20 5 HIBDRN Cc1[nH]c2ccc(-c3noc(CSc4ccc(C(N)=O)cc4[N+](=O)[O-])n3)cc2c1C ZINC000546354477 940800096 /nfs/dbraw/zinc/80/00/96/940800096.db2.gz GFQHSVUEVMXVIZ-UHFFFAOYSA-N 0 0 423.454 4.134 20 5 HIBDRN Cc1cc(-c2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)cc([N+](=O)[O-])c1 ZINC000546357763 940800893 /nfs/dbraw/zinc/80/08/93/940800893.db2.gz CQXHLIYBTUASOS-UHFFFAOYSA-N 0 0 404.213 4.499 20 5 HIBDRN Cc1ccc(-c2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)cc1[N+](=O)[O-] ZINC000546366131 940802789 /nfs/dbraw/zinc/80/27/89/940802789.db2.gz SRQZGPRNDUBOLF-UHFFFAOYSA-N 0 0 404.213 4.499 20 5 HIBDRN C[C@H](c1nc(-c2ccnc(OCC(F)(F)F)c2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000546366306 940802856 /nfs/dbraw/zinc/80/28/56/940802856.db2.gz BVNMNCYPLONZTN-VIFPVBQESA-N 0 0 412.299 4.272 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000546378418 940805358 /nfs/dbraw/zinc/80/53/58/940805358.db2.gz PKOPVIIUXKPYOX-UHFFFAOYSA-N 0 0 418.457 4.026 20 5 HIBDRN Cc1ccc([C@H](C)c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)cc1 ZINC000546382456 940806580 /nfs/dbraw/zinc/80/65/80/940806580.db2.gz DUGWTETYIGRWGR-ZDUSSCGKSA-N 0 0 422.470 4.385 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cnc(-c3ccc4c(c3)OCO4)s2)n1 ZINC000546397654 940810230 /nfs/dbraw/zinc/81/02/30/940810230.db2.gz QJUYXDZLXXHCGJ-UHFFFAOYSA-N 0 0 408.395 4.472 20 5 HIBDRN Cc1ccc(-n2cnnc2SCc2nc(-c3ccc([N+](=O)[O-])cc3C)no2)cc1 ZINC000546399077 940810838 /nfs/dbraw/zinc/81/08/38/940810838.db2.gz CSAHEXFQPIGGRR-UHFFFAOYSA-N 0 0 408.443 4.135 20 5 HIBDRN CS[C@@H]1C(=O)Nc2ccc(-c3noc(-c4ccc(NC5CC5)c([N+](=O)[O-])c4)n3)cc21 ZINC000546425753 940817402 /nfs/dbraw/zinc/81/74/02/940817402.db2.gz IQJNMUNITSMBHZ-KRWDZBQOSA-N 0 0 423.454 4.242 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(CSCc3ccccn3)n2)c(Br)c1 ZINC000546448436 940822469 /nfs/dbraw/zinc/82/24/69/940822469.db2.gz QHOLEMWGHRQSTJ-UHFFFAOYSA-N 0 0 421.276 4.160 20 5 HIBDRN COc1cc(Cc2noc(CCC(=O)c3cc(C)sc3C)n2)ccc1[N+](=O)[O-] ZINC000546465924 940827447 /nfs/dbraw/zinc/82/74/47/940827447.db2.gz BAVZGOVILVVTRQ-UHFFFAOYSA-N 0 0 401.444 4.071 20 5 HIBDRN Cc1c(Cc2noc(-c3nc(C(C)C)n(-c4ccccc4F)n3)n2)cccc1[N+](=O)[O-] ZINC000546485633 940832849 /nfs/dbraw/zinc/83/28/49/940832849.db2.gz JOEHBCKTGPLAQR-UHFFFAOYSA-N 0 0 422.420 4.387 20 5 HIBDRN COCCOc1ccc(Cc2noc([C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000546486986 940833163 /nfs/dbraw/zinc/83/31/63/940833163.db2.gz VRLNOTWQUJVGBW-CQSZACIVSA-N 0 0 415.471 4.447 20 5 HIBDRN CC(=O)N1CCC(c2nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)no2)CC1 ZINC000546488041 940833779 /nfs/dbraw/zinc/83/37/79/940833779.db2.gz IFVXYJXYMHQLSO-UHFFFAOYSA-N 0 0 408.414 4.163 20 5 HIBDRN O=C(CCc1nc(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)no1)NC1CCCC1 ZINC000546492615 940835298 /nfs/dbraw/zinc/83/52/98/940835298.db2.gz QWOHGXNKNZKPIZ-UHFFFAOYSA-N 0 0 422.441 4.429 20 5 HIBDRN CCCCOc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)cc1OC ZINC000546491605 940835394 /nfs/dbraw/zinc/83/53/94/940835394.db2.gz HJOCNGSJCUNIDQ-UHFFFAOYSA-N 0 0 413.430 4.432 20 5 HIBDRN CNc1ccc(-c2nc([C@H](OC)c3ccc(Br)cc3)no2)cc1[N+](=O)[O-] ZINC000546515076 940840677 /nfs/dbraw/zinc/84/06/77/940840677.db2.gz CWXLMTPCDODFOB-OAHLLOKOSA-N 0 0 419.235 4.185 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000564024068 945353811 /nfs/dbraw/zinc/35/38/11/945353811.db2.gz MVQPCXRIFOYEPX-KBPBESRZSA-N 0 0 402.447 4.168 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)c(Cl)c1 ZINC000546548370 940849580 /nfs/dbraw/zinc/84/95/80/940849580.db2.gz SVHWBSRPUSTSFT-UHFFFAOYSA-N 0 0 417.759 4.353 20 5 HIBDRN Cc1cc(Cc2noc(CCC(=O)CCC(=O)c3cccs3)n2)ccc1[N+](=O)[O-] ZINC000546559381 940852927 /nfs/dbraw/zinc/85/29/27/940852927.db2.gz XXKIQVTYCSHLBF-UHFFFAOYSA-N 0 0 413.455 4.103 20 5 HIBDRN Cc1cc(Cc2noc(C3CCN(c4nc5ccccc5o4)CC3)n2)ccc1[N+](=O)[O-] ZINC000546561613 940853874 /nfs/dbraw/zinc/85/38/74/940853874.db2.gz ZFDMAAKGWVAQGH-UHFFFAOYSA-N 0 0 419.441 4.402 20 5 HIBDRN CN1C(=O)COc2cc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)ccc21 ZINC000546691483 940869743 /nfs/dbraw/zinc/86/97/43/940869743.db2.gz GTSISFGXUMQRNX-UHFFFAOYSA-N 0 0 413.817 4.476 20 5 HIBDRN C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000546763996 940878743 /nfs/dbraw/zinc/87/87/43/940878743.db2.gz MJHPXBGRFDUDBI-NSHDSACASA-N 0 0 403.287 4.125 20 5 HIBDRN C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000546763992 940878780 /nfs/dbraw/zinc/87/87/80/940878780.db2.gz MJHPXBGRFDUDBI-LLVKDONJSA-N 0 0 403.287 4.125 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)NCc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000546765670 940879120 /nfs/dbraw/zinc/87/91/20/940879120.db2.gz RDSXXQKQYNMEPN-UHFFFAOYSA-N 0 0 401.438 4.082 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000546777886 940881507 /nfs/dbraw/zinc/88/15/07/940881507.db2.gz CRGGIMOMTDDFTD-UHFFFAOYSA-N 0 0 423.494 4.151 20 5 HIBDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000546844880 940893606 /nfs/dbraw/zinc/89/36/06/940893606.db2.gz OJVZKLAPJLMUMX-OAHLLOKOSA-N 0 0 411.458 4.143 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NC2CC(C(F)(F)F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000564033527 945358990 /nfs/dbraw/zinc/35/89/90/945358990.db2.gz CHPKJFYZOGQCBF-LMWSTFAQSA-N 0 0 408.380 4.234 20 5 HIBDRN Cc1c(I)cccc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000546933490 940917580 /nfs/dbraw/zinc/91/75/80/940917580.db2.gz QMTQJOKZWGUAPB-UHFFFAOYSA-N 0 0 407.167 4.225 20 5 HIBDRN COc1ccc(OC)c(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)c1 ZINC000546933575 940918133 /nfs/dbraw/zinc/91/81/33/940918133.db2.gz UONIKZMHCBXDBY-UHFFFAOYSA-N 0 0 410.411 4.453 20 5 HIBDRN CCCCCn1nc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c2ccccc2c1=O ZINC000546943145 940921404 /nfs/dbraw/zinc/92/14/04/940921404.db2.gz ISEBYGQZSSTKKC-UHFFFAOYSA-N 0 0 419.441 4.136 20 5 HIBDRN Cc1noc(CSc2ccc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)cc2)n1 ZINC000546945828 940922361 /nfs/dbraw/zinc/92/23/61/940922361.db2.gz KSOVCYXCWYXTFP-UHFFFAOYSA-N 0 0 409.427 4.219 20 5 HIBDRN CN(Cc1ccccc1)C(=O)N1CCC(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000546964877 940929736 /nfs/dbraw/zinc/92/97/36/940929736.db2.gz RFXUUCCEWYEJKE-UHFFFAOYSA-N 0 0 421.457 4.076 20 5 HIBDRN COc1ccc(-c2nc(C)c(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)s2)cc1 ZINC000546964433 940929808 /nfs/dbraw/zinc/92/98/08/940929808.db2.gz NIYJUCBYEPEVOZ-UHFFFAOYSA-N 0 0 409.427 4.335 20 5 HIBDRN Cc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)C2)cc1 ZINC000546984441 940938999 /nfs/dbraw/zinc/93/89/99/940938999.db2.gz YZVQEVMFZXAAEX-SFHVURJKSA-N 0 0 406.442 4.281 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]nc(-c3nc(Cc4cc(Br)ccc4F)no3)c2c1 ZINC000546987170 940940462 /nfs/dbraw/zinc/94/04/62/940940462.db2.gz QLBRYUMGOAZBMJ-UHFFFAOYSA-N 0 0 418.182 4.014 20 5 HIBDRN COc1cc(-c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)ccc1OC[C@H]1CCCO1 ZINC000546987238 940940749 /nfs/dbraw/zinc/94/07/49/940940749.db2.gz UQPPKONETSUXMS-FPISAVPCSA-N 0 0 423.425 4.382 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)c2nc(Cc3cccc(Br)c3)no2)cc1 ZINC000546999603 940949034 /nfs/dbraw/zinc/94/90/34/940949034.db2.gz VKYSLYPWRGWGPC-UHFFFAOYSA-N 0 0 410.174 4.471 20 5 HIBDRN CC(C)c1ccc([C@@H](C)CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000564045934 945362716 /nfs/dbraw/zinc/36/27/16/945362716.db2.gz DVUBKDQQYAGCRS-SFHVURJKSA-N 0 0 423.513 4.196 20 5 HIBDRN COc1ccc2nc(-c3noc(-c4ccn(-c5ccc([N+](=O)[O-])cc5)n4)n3)ccc2c1 ZINC000547014425 940957751 /nfs/dbraw/zinc/95/77/51/940957751.db2.gz ASQYPMRNVDECGJ-UHFFFAOYSA-N 0 0 414.381 4.054 20 5 HIBDRN Cc1cccc2[nH]cc(Cc3noc(-c4ccn(-c5ccc([N+](=O)[O-])cc5)n4)n3)c21 ZINC000547082560 940988070 /nfs/dbraw/zinc/98/80/70/940988070.db2.gz HLBZPRGBNVRJOW-UHFFFAOYSA-N 0 0 400.398 4.211 20 5 HIBDRN CC(C)Cn1ncc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c1C(F)F ZINC000547088098 940990785 /nfs/dbraw/zinc/99/07/85/940990785.db2.gz XKNAKDMFIMQGME-UHFFFAOYSA-N 0 0 406.393 4.090 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(C4Cc5ccccc5C4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000547090473 940991729 /nfs/dbraw/zinc/99/17/29/940991729.db2.gz QBJVHMBSFXDHDD-UHFFFAOYSA-N 0 0 415.453 4.389 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc(-c3cccc(-n4ccnc4)c3)no2)c2ccccc12 ZINC000547099237 940995186 /nfs/dbraw/zinc/99/51/86/940995186.db2.gz XFAHRZXOYKUFKC-UHFFFAOYSA-N 0 0 419.444 4.439 20 5 HIBDRN COc1ccc([C@@H]2[C@@H](c3nc(-c4ccc([N+](=O)[O-])cc4C)no3)CCC(=O)N2C)cc1 ZINC000547107076 940999018 /nfs/dbraw/zinc/99/90/18/940999018.db2.gz HRQLBSMXEOXRIR-AZUAARDMSA-N 0 0 422.441 4.039 20 5 HIBDRN COC(=O)c1cc(-c2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)cc([N+](=O)[O-])c1 ZINC000547112956 941000994 /nfs/dbraw/zinc/00/09/94/941000994.db2.gz YQVQYMKCTRXVPL-UHFFFAOYSA-N 0 0 411.267 4.256 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc(-c3ccc(N4CCCC4)nc3)no2)c2ccccc12 ZINC000547120797 941003537 /nfs/dbraw/zinc/00/35/37/941003537.db2.gz XASFJRWNRIDDJL-UHFFFAOYSA-N 0 0 423.476 4.248 20 5 HIBDRN O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(Cc3c[nH]c4ccc(F)cc34)no2)n1 ZINC000547159445 941015579 /nfs/dbraw/zinc/01/55/79/941015579.db2.gz MPBFKGWGTAMADX-UHFFFAOYSA-N 0 0 404.361 4.042 20 5 HIBDRN COc1cc(Cc2noc(CCc3ccc(-c4ccccc4)[nH]3)n2)ccc1[N+](=O)[O-] ZINC000547179604 941023320 /nfs/dbraw/zinc/02/33/20/941023320.db2.gz XRZDLCVBFCPKEF-UHFFFAOYSA-N 0 0 404.426 4.358 20 5 HIBDRN C[C@H]1CCCN(c2ccc(-c3nc(Cc4c[nH]c5ncccc45)no3)cc2[N+](=O)[O-])C1 ZINC000547181104 941023784 /nfs/dbraw/zinc/02/37/84/941023784.db2.gz LZMLGFFQHZQGEJ-AWEZNQCLSA-N 0 0 418.457 4.348 20 5 HIBDRN CO[C@H](c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1)c1cccc(Cl)c1 ZINC000547187021 941025124 /nfs/dbraw/zinc/02/51/24/941025124.db2.gz 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CC(C)(C(=O)N1CCc2ccc(Br)cc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000551346298 941458391 /nfs/dbraw/zinc/45/83/91/941458391.db2.gz UDOCGLDFJHJRGJ-UHFFFAOYSA-N 0 0 421.266 4.359 20 5 HIBDRN Cc1c(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cccc1-c1ncco1 ZINC000551354099 941459729 /nfs/dbraw/zinc/45/97/29/941459729.db2.gz OMMNBEIZAFVDMF-UHFFFAOYSA-N 0 0 422.441 4.433 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCC(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000551359782 941461367 /nfs/dbraw/zinc/46/13/67/941461367.db2.gz XUMSEGSPOQYSPZ-UHFFFAOYSA-N 0 0 409.202 4.470 20 5 HIBDRN CC[C@H]1CCCC[C@@H]1c1noc(-c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)n1 ZINC000551536177 941497009 /nfs/dbraw/zinc/49/70/09/941497009.db2.gz PJJXEVDEICYKSS-GJZGRUSLSA-N 0 0 409.446 4.183 20 5 HIBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000551578439 941505961 /nfs/dbraw/zinc/50/59/61/941505961.db2.gz CFUYYHNQKTUBPQ-HNNXBMFYSA-N 0 0 421.453 4.018 20 5 HIBDRN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(O[C@H]2CCOC2)c1 ZINC000551592337 941508276 /nfs/dbraw/zinc/50/82/76/941508276.db2.gz DIGZUVQEFHWDHB-HNNXBMFYSA-N 0 0 424.375 4.020 20 5 HIBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000551687661 941526996 /nfs/dbraw/zinc/52/69/96/941526996.db2.gz VWRNFYHKPYAWPH-UHFFFAOYSA-N 0 0 415.858 4.200 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1 ZINC000551717535 941531912 /nfs/dbraw/zinc/53/19/12/941531912.db2.gz RNTLVWVVJCOMGB-UHFFFAOYSA-N 0 0 409.829 4.170 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000551725707 941533927 /nfs/dbraw/zinc/53/39/27/941533927.db2.gz QUEKTACOUYBBJJ-GOSISDBHSA-N 0 0 413.449 4.164 20 5 HIBDRN COc1ccc(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000552049468 941573870 /nfs/dbraw/zinc/57/38/70/941573870.db2.gz WFEACWXBOMYEMO-GOSISDBHSA-N 0 0 420.391 4.235 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000552117876 941588876 /nfs/dbraw/zinc/58/88/76/941588876.db2.gz PAICVHPSHQHWGW-UHFFFAOYSA-N 0 0 419.485 4.140 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@@H](c4cccc(F)c4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000552186019 941598706 /nfs/dbraw/zinc/59/87/06/941598706.db2.gz MPAVAFLMUMUVTQ-HXUWFJFHSA-N 0 0 422.460 4.225 20 5 HIBDRN O=C1CCC(=O)N1c1cc(N[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])ccc1F ZINC000552297058 941625552 /nfs/dbraw/zinc/62/55/52/941625552.db2.gz ZYYCRMOAZWACET-KDOFPFPSSA-N 0 0 411.433 4.211 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(C)c1OC ZINC000552482637 941683332 /nfs/dbraw/zinc/68/33/32/941683332.db2.gz AEFUQCGECNOQTB-LLVKDONJSA-N 0 0 412.364 4.430 20 5 HIBDRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(C)cccc3[N+](=O)[O-])n2)c(F)c1 ZINC000552587938 941716498 /nfs/dbraw/zinc/71/64/98/941716498.db2.gz JIHXAVDSVPILJG-UHFFFAOYSA-N 0 0 414.418 4.377 20 5 HIBDRN C[C@H](Cc1ccc(Br)cc1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000552607291 941720294 /nfs/dbraw/zinc/72/02/94/941720294.db2.gz TZCSREXEYXAROC-CQSZACIVSA-N 0 0 405.292 4.237 20 5 HIBDRN CSc1cccc(C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)c1[N+](=O)[O-] ZINC000552872807 941794880 /nfs/dbraw/zinc/79/48/80/941794880.db2.gz JDLOWNWVPNVTED-QGZVFWFLSA-N 0 0 411.483 4.171 20 5 HIBDRN CNc1nccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1[N+](=O)[O-] ZINC000552881733 941797280 /nfs/dbraw/zinc/79/72/80/941797280.db2.gz MMAXQUDKMGRDEU-UHFFFAOYSA-N 0 0 411.487 4.705 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000552960050 941808699 /nfs/dbraw/zinc/80/86/99/941808699.db2.gz BTVJMUFQLQQAFX-SJBKTWHCSA-N 0 0 402.454 4.189 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000553057967 941825928 /nfs/dbraw/zinc/82/59/28/941825928.db2.gz BJPVBMMAAPZFQU-UHFFFAOYSA-N 0 0 410.367 4.485 20 5 HIBDRN CN(Cc1cscn1)Cc1cccc(Nc2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC000553057560 941826073 /nfs/dbraw/zinc/82/60/73/941826073.db2.gz JUNIJUNFORHFAQ-UHFFFAOYSA-N 0 0 412.500 4.432 20 5 HIBDRN CC(=O)c1cc(N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000553103692 941833541 /nfs/dbraw/zinc/83/35/41/941833541.db2.gz UGHBRXYFINIGPN-AWEZNQCLSA-N 0 0 409.364 4.387 20 5 HIBDRN CC(C)(NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000553107876 941833966 /nfs/dbraw/zinc/83/39/66/941833966.db2.gz ODBDPKUFLIXPMD-MSOLQXFVSA-N 0 0 421.856 4.452 20 5 HIBDRN O=c1[nH]c(N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000553147571 941840760 /nfs/dbraw/zinc/84/07/60/941840760.db2.gz GTTLUGYPBBKBBC-GFCCVEGCSA-N 0 0 421.240 4.208 20 5 HIBDRN COC(=O)c1cc(C)nc(Oc2ccc(C(=O)Nc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000553182421 941845595 /nfs/dbraw/zinc/84/55/95/941845595.db2.gz DDFHQASEDJAVAG-UHFFFAOYSA-N 0 0 407.382 4.129 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](Oc2ccccc2OC)C1 ZINC000553223307 941852358 /nfs/dbraw/zinc/85/23/58/941852358.db2.gz ZLNBMCKKFTYIOP-ICSRJNTNSA-N 0 0 412.486 4.242 20 5 HIBDRN CSc1cccc(F)c1CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000553244899 941855878 /nfs/dbraw/zinc/85/58/78/941855878.db2.gz FOPMOSLKFMPONB-UHFFFAOYSA-N 0 0 420.853 4.267 20 5 HIBDRN O=C(c1cc(N2CC[C@](F)(c3cc(F)cc(F)c3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000553252701 941857115 /nfs/dbraw/zinc/85/71/15/941857115.db2.gz XBMBLYUQOIRSBM-OAQYLSRUSA-N 0 0 419.403 4.184 20 5 HIBDRN O=C(CCC(F)(F)F)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000553319824 941866900 /nfs/dbraw/zinc/86/69/00/941866900.db2.gz DRFYYZDEWJZJHX-LLVKDONJSA-N 0 0 413.318 4.359 20 5 HIBDRN C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 ZINC000553335166 941868797 /nfs/dbraw/zinc/86/87/97/941868797.db2.gz RJRFSTJNSGKGNL-WMLDXEAASA-N 0 0 423.498 4.098 20 5 HIBDRN Cc1c(C(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cccc1[N+](=O)[O-] ZINC000553348310 941870868 /nfs/dbraw/zinc/87/08/68/941870868.db2.gz RGFMIPZKSBXBLQ-LJQANCHMSA-N 0 0 408.376 4.054 20 5 HIBDRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)s1 ZINC000553366743 941873426 /nfs/dbraw/zinc/87/34/26/941873426.db2.gz FWWMNOIONKQSFC-IUCAKERBSA-N 0 0 417.413 4.103 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000553371211 941874408 /nfs/dbraw/zinc/87/44/08/941874408.db2.gz CYBOZVBQNYKQJZ-GUDVDZBRSA-N 0 0 420.387 4.258 20 5 HIBDRN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553378866 941876283 /nfs/dbraw/zinc/87/62/83/941876283.db2.gz BQOWQMFDAXHVFH-SCLBCKFNSA-N 0 0 408.376 4.145 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000553422942 941882355 /nfs/dbraw/zinc/88/23/55/941882355.db2.gz SIGOQSYZXNJFPG-MLGOLLRUSA-N 0 0 416.524 4.029 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)cc([N+](=O)[O-])c1OC ZINC000553488272 941894334 /nfs/dbraw/zinc/89/43/34/941894334.db2.gz GXVZDDBNYOAYRI-QGZVFWFLSA-N 0 0 423.347 4.127 20 5 HIBDRN Cc1cccc(Oc2ncnc(CC(C)C)c2I)c1[N+](=O)[O-] ZINC000553504527 941898006 /nfs/dbraw/zinc/89/80/06/941898006.db2.gz FFYGRWPZFXTBSW-UHFFFAOYSA-N 0 0 413.215 4.289 20 5 HIBDRN Cc1nc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])nn1C ZINC000553508366 941898800 /nfs/dbraw/zinc/89/88/00/941898800.db2.gz VPHPFJCANUYDSB-UHFFFAOYSA-N 0 0 403.851 4.089 20 5 HIBDRN CS(=O)(=O)c1ccc(N2CCC([C@@H](F)c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000553578104 941912842 /nfs/dbraw/zinc/91/28/42/941912842.db2.gz HCJUDSHQZMBEPO-LJQANCHMSA-N 0 0 410.442 4.065 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2cc(F)c(Br)c(Cl)c2)c1[N+](=O)[O-] ZINC000553639121 941930005 /nfs/dbraw/zinc/93/00/05/941930005.db2.gz RMFZFEZIXWVZMH-UHFFFAOYSA-N 0 0 405.611 4.078 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCN(c2ccccc2F)CC1 ZINC000553656327 941936023 /nfs/dbraw/zinc/93/60/23/941936023.db2.gz PRJGFPHUBNVWCM-UHFFFAOYSA-N 0 0 411.355 4.105 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553721806 941952229 /nfs/dbraw/zinc/95/22/29/941952229.db2.gz KBAGVMDRNGNDLZ-APPDUMDISA-N 0 0 412.339 4.355 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Nc1ccc(OCCCO)cc1 ZINC000553722739 941952493 /nfs/dbraw/zinc/95/24/93/941952493.db2.gz GNBLJFQNYZUEST-UHFFFAOYSA-N 0 0 407.295 4.149 20 5 HIBDRN Cc1noc(C)c1C(C)(C)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000553743133 941957549 /nfs/dbraw/zinc/95/75/49/941957549.db2.gz BXDOKGNLKKIZEN-ZDUSSCGKSA-N 0 0 400.479 4.101 20 5 HIBDRN O=C(NC1(C(F)(F)F)CCOCC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000553864581 941986786 /nfs/dbraw/zinc/98/67/86/941986786.db2.gz DZYXZKFULUMXSQ-UHFFFAOYSA-N 0 0 423.391 4.048 20 5 HIBDRN COc1cccc(C=C2CCN(C(=O)CCOc3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000553902798 941995203 /nfs/dbraw/zinc/99/52/03/941995203.db2.gz WAWXAPLXCCBEPW-UHFFFAOYSA-N 0 0 410.470 4.387 20 5 HIBDRN COc1cc(CN2C[C@H](C)C[C@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000553909431 941996587 /nfs/dbraw/zinc/99/65/87/941996587.db2.gz KWBREEPOPGZZGG-CJNGLKHVSA-N 0 0 407.417 4.225 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCc3c(F)cc(Br)cc32)c1 ZINC000553920380 941998866 /nfs/dbraw/zinc/99/88/66/941998866.db2.gz LYUMQGXGZCHPSX-UHFFFAOYSA-N 0 0 409.211 4.098 20 5 HIBDRN Cc1c(NC(=O)CCN2CCCC[C@H]2c2nnc(C3CCC3)o2)cccc1[N+](=O)[O-] ZINC000553925625 942000657 /nfs/dbraw/zinc/00/06/57/942000657.db2.gz UHIUFKRAHPEQLD-SFHVURJKSA-N 0 0 413.478 4.110 20 5 HIBDRN CCN(C)C(=O)c1cccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000554163977 942053756 /nfs/dbraw/zinc/05/37/56/942053756.db2.gz FKEWDWCPCKJJSF-INIZCTEOSA-N 0 0 424.501 4.175 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000554224858 942072657 /nfs/dbraw/zinc/07/26/57/942072657.db2.gz MAQBWSBCDNEDTR-UHFFFAOYSA-N 0 0 424.432 4.414 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000554456791 942150781 /nfs/dbraw/zinc/15/07/81/942150781.db2.gz WEQSDJNQJPKYDM-UHFFFAOYSA-N 0 0 413.865 4.199 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000554742453 942216772 /nfs/dbraw/zinc/21/67/72/942216772.db2.gz PVFPMVUYUCDEPT-GOSISDBHSA-N 0 0 412.364 4.076 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc3nccnc3c2Br)c1[N+](=O)[O-] ZINC000554767615 942229734 /nfs/dbraw/zinc/22/97/34/942229734.db2.gz PBXMEWCWUDCZEG-UHFFFAOYSA-N 0 0 419.260 4.275 20 5 HIBDRN O=C(N[C@@H](CC1CCC1)c1ccccc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000554797011 942244338 /nfs/dbraw/zinc/24/43/38/942244338.db2.gz VAXGVPHALUPFFL-QFIPXVFZSA-N 0 0 421.497 4.134 20 5 HIBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000554833470 942271509 /nfs/dbraw/zinc/27/15/09/942271509.db2.gz LZNFJLJCKJHZQO-UHFFFAOYSA-N 0 0 420.347 4.402 20 5 HIBDRN COc1ccc(Oc2ccc(NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cn2)cc1 ZINC000554882427 942306216 /nfs/dbraw/zinc/30/62/16/942306216.db2.gz VKMLWJMWJVVRPW-UHFFFAOYSA-N 0 0 422.441 4.497 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)c1 ZINC000554880955 942306393 /nfs/dbraw/zinc/30/63/93/942306393.db2.gz CJISOCIAYDENMH-LLVKDONJSA-N 0 0 404.373 4.229 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c1 ZINC000554963436 942336285 /nfs/dbraw/zinc/33/62/85/942336285.db2.gz WXIVIUYKFWKIKN-ZDUSSCGKSA-N 0 0 420.849 4.315 20 5 HIBDRN O=C(Nc1ncc(-c2ccccc2F)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000554979703 942341435 /nfs/dbraw/zinc/34/14/35/942341435.db2.gz MAVAPLOHBLWIPR-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1 ZINC000554983064 942342619 /nfs/dbraw/zinc/34/26/19/942342619.db2.gz PFPGBUXWMGWAFH-UHFFFAOYSA-N 0 0 408.458 4.171 20 5 HIBDRN CCCC(C)(C)N(Cc1cccs1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000554986500 942343858 /nfs/dbraw/zinc/34/38/58/942343858.db2.gz ZPYSXTJSPCGSPN-UHFFFAOYSA-N 0 0 413.503 4.458 20 5 HIBDRN CCn1c(Cc2ccccc2C)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000555012208 942355638 /nfs/dbraw/zinc/35/56/38/942355638.db2.gz YYHNJPZMLCWFCX-UHFFFAOYSA-N 0 0 421.501 4.153 20 5 HIBDRN O=C(Nc1ccc(-c2ccccn2)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000555013354 942356578 /nfs/dbraw/zinc/35/65/78/942356578.db2.gz IJEQLRYXJWRCKC-UHFFFAOYSA-N 0 0 403.442 4.011 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000555102769 942386416 /nfs/dbraw/zinc/38/64/16/942386416.db2.gz HJBVCFFXWKWYNB-UHFFFAOYSA-N 0 0 423.317 4.194 20 5 HIBDRN COc1ccc(-c2ccc(CN3CC[C@@H](n4cc(Cl)cn4)C3)o2)c([N+](=O)[O-])c1 ZINC000555106246 942386667 /nfs/dbraw/zinc/38/66/67/942386667.db2.gz QGNAEWPCRWAKCQ-CQSZACIVSA-N 0 0 402.838 4.160 20 5 HIBDRN CN(Cc1nccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CCc1ccccc1 ZINC000555201771 942429907 /nfs/dbraw/zinc/42/99/07/942429907.db2.gz IBQJSGYCYDPKCO-UHFFFAOYSA-N 0 0 420.498 4.189 20 5 HIBDRN COc1cc(N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c(F)cc1[N+](=O)[O-] ZINC000555244348 942444322 /nfs/dbraw/zinc/44/43/22/942444322.db2.gz HPBKFOMWEDWNMF-MLGOLLRUSA-N 0 0 405.401 4.046 20 5 HIBDRN CCc1cc(N2Cc3cnn(-c4ccccc4)c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555262512 942452741 /nfs/dbraw/zinc/45/27/41/942452741.db2.gz PQJCLXIURAGELB-UHFFFAOYSA-N 0 0 412.453 4.320 20 5 HIBDRN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCN(CC(F)(F)F)CC1 ZINC000555296634 942466031 /nfs/dbraw/zinc/46/60/31/942466031.db2.gz TWQQAEKAOMUYLR-LLVKDONJSA-N 0 0 415.437 4.202 20 5 HIBDRN Cn1ccnc1[C@H](NCc1ccsc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000555339575 942484053 /nfs/dbraw/zinc/48/40/53/942484053.db2.gz FHFHKVYQLGWNFJ-CQSZACIVSA-N 0 0 407.293 4.032 20 5 HIBDRN Cc1ccccc1[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)CCO1 ZINC000555349825 942488450 /nfs/dbraw/zinc/48/84/50/942488450.db2.gz HZBPQYSCOQWZOF-OAQYLSRUSA-N 0 0 421.501 4.396 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC4(C3)CCCCC4)n2C[C@@H]2CCCO2)c1 ZINC000555381854 942504976 /nfs/dbraw/zinc/50/49/76/942504976.db2.gz SZBFIXACHMXTDW-IBGZPJMESA-N 0 0 411.506 4.193 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@]4(CC=CCC4)C3)n2C[C@H]2CCCO2)c1 ZINC000555381953 942504977 /nfs/dbraw/zinc/50/49/77/942504977.db2.gz VODAYJQCFXIKAO-NFBKMPQASA-N 0 0 423.517 4.359 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1cc(C)nn1-c1ccccc1 ZINC000555469111 942571562 /nfs/dbraw/zinc/57/15/62/942571562.db2.gz KPLVUINKEYUYOL-CQSZACIVSA-N 0 0 412.471 4.217 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCc1ccccn1)Cc1ccncc1 ZINC000555600714 942661588 /nfs/dbraw/zinc/66/15/88/942661588.db2.gz SMIPICFLGAIOQS-KRWDZBQOSA-N 0 0 422.510 4.137 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000555601424 942663702 /nfs/dbraw/zinc/66/37/02/942663702.db2.gz QHDGKNVLTNMRRC-HWPZZCPQSA-N 0 0 423.819 4.007 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCc1ccccn1)Cc1ccncc1 ZINC000555600715 942663771 /nfs/dbraw/zinc/66/37/71/942663771.db2.gz SMIPICFLGAIOQS-QGZVFWFLSA-N 0 0 422.510 4.137 20 5 HIBDRN CNc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cc1[N+](=O)[O-] ZINC000555861896 942757216 /nfs/dbraw/zinc/75/72/16/942757216.db2.gz IZFAWZYKLNVKRC-JOCQHMNTSA-N 0 0 422.254 4.214 20 5 HIBDRN COCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccc(C)o1 ZINC000555927875 942774174 /nfs/dbraw/zinc/77/41/74/942774174.db2.gz GJENOXVXCPPFIU-OAHLLOKOSA-N 0 0 411.252 4.075 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccccc1[N+](=O)[O-] ZINC000555995375 942784531 /nfs/dbraw/zinc/78/45/31/942784531.db2.gz HIYXMZVRUDNUPA-UHFFFAOYSA-N 0 0 405.458 4.106 20 5 HIBDRN Cc1ncsc1-c1nc(CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)no1 ZINC000556279166 942831694 /nfs/dbraw/zinc/83/16/94/942831694.db2.gz RMWZPFNCTFQRGZ-UHFFFAOYSA-N 0 0 415.456 4.498 20 5 HIBDRN CO[C@H](C)c1nc(Cc2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)cs1 ZINC000556307683 942837791 /nfs/dbraw/zinc/83/77/91/942837791.db2.gz FTFSKYGUEPWOEY-MRVPVSSYSA-N 0 0 414.365 4.418 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(COc2cccc(F)c2)no1 ZINC000556311989 942838818 /nfs/dbraw/zinc/83/88/18/942838818.db2.gz OSUYTUUYVGITPA-UHFFFAOYSA-N 0 0 408.183 4.434 20 5 HIBDRN C[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1OCCc2sccc21 ZINC000556340468 942845304 /nfs/dbraw/zinc/84/53/04/942845304.db2.gz GEVRBKDPDXNGLM-KHDYIWLOSA-N 0 0 404.513 4.180 20 5 HIBDRN C[C@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1OCCc2sccc21 ZINC000556340470 942845730 /nfs/dbraw/zinc/84/57/30/942845730.db2.gz GEVRBKDPDXNGLM-OYYNGEPBSA-N 0 0 404.513 4.180 20 5 HIBDRN CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000556408944 942859046 /nfs/dbraw/zinc/85/90/46/942859046.db2.gz LABVPBHFEGXAME-HNNXBMFYSA-N 0 0 414.483 4.499 20 5 HIBDRN CSc1ccc(C(=O)N2CCc3ccc(Br)cc3C2)cc1[N+](=O)[O-] ZINC000556463261 942875288 /nfs/dbraw/zinc/87/52/88/942875288.db2.gz VLHKCKBLNZTBQF-UHFFFAOYSA-N 0 0 407.289 4.278 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C2(Cc3cccc(F)c3)CCOCC2)cc1[N+](=O)[O-] ZINC000556536916 942893823 /nfs/dbraw/zinc/89/38/23/942893823.db2.gz GVPAISYSZIBJSM-INIZCTEOSA-N 0 0 400.450 4.259 20 5 HIBDRN CCC(CC)c1cc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)on1 ZINC000556561608 942899430 /nfs/dbraw/zinc/89/94/30/942899430.db2.gz ARODLDDSTZZAAZ-UHFFFAOYSA-N 0 0 416.478 4.039 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCC=C(c4cccnc4)C3)cc2[N+](=O)[O-])C1 ZINC000556885677 942951107 /nfs/dbraw/zinc/95/11/07/942951107.db2.gz ZBBHLVDRIHNGBD-KRWDZBQOSA-N 0 0 406.486 4.156 20 5 HIBDRN CC(C)Cn1ncc(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1C(F)F ZINC000556890604 942953217 /nfs/dbraw/zinc/95/32/17/942953217.db2.gz SFKVSPASQLOISC-MRXNPFEDSA-N 0 0 404.421 4.320 20 5 HIBDRN Cn1ccnc1[C@H](NCC(F)(F)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000556920974 942966191 /nfs/dbraw/zinc/96/61/91/942966191.db2.gz KQLKOQIPXMFHFZ-QGZVFWFLSA-N 0 0 406.820 4.453 20 5 HIBDRN O=C(NCc1c(F)cccc1N1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000556927074 942969003 /nfs/dbraw/zinc/96/90/03/942969003.db2.gz MFFICAVHLMWDBH-UHFFFAOYSA-N 0 0 411.355 4.283 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)cc(Br)cc2OC)c1 ZINC000556958183 942979115 /nfs/dbraw/zinc/97/91/15/942979115.db2.gz HGWCHAXNLSHSDK-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN Cc1n[nH]c(C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)c1[N+](=O)[O-] ZINC000556991133 942989402 /nfs/dbraw/zinc/98/94/02/942989402.db2.gz RAVZOYVVXGNQAM-UHFFFAOYSA-N 0 0 412.368 4.110 20 5 HIBDRN COC[C@H](C)Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000557050740 943005615 /nfs/dbraw/zinc/00/56/15/943005615.db2.gz MJHFPWXUIBMGMR-NSHDSACASA-N 0 0 422.279 4.365 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000557070519 943012256 /nfs/dbraw/zinc/01/22/56/943012256.db2.gz KFARKPDLHMUTIN-UHFFFAOYSA-N 0 0 421.266 4.229 20 5 HIBDRN O=C(NCC1(c2ccccn2)CCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000557141130 943029223 /nfs/dbraw/zinc/02/92/23/943029223.db2.gz DOVPKTXKQCPZIR-UHFFFAOYSA-N 0 0 417.465 4.421 20 5 HIBDRN CC(C)(C(=O)NCc1c(F)cccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000557335221 943075791 /nfs/dbraw/zinc/07/57/91/943075791.db2.gz WIDVXOZCRPOSGY-UHFFFAOYSA-N 0 0 403.429 4.067 20 5 HIBDRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000557370927 943089988 /nfs/dbraw/zinc/08/99/88/943089988.db2.gz AKXPPUBKQQZUHV-UHFFFAOYSA-N 0 0 414.405 4.287 20 5 HIBDRN CC(C)(C)OCC[C@@H]1NC(=O)N(c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000557395041 943100848 /nfs/dbraw/zinc/10/08/48/943100848.db2.gz HQZZPALHLUEEKT-SFHVURJKSA-N 0 0 413.430 4.017 20 5 HIBDRN COC(=O)c1cc(Oc2ccc(Br)c(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000557564790 943211667 /nfs/dbraw/zinc/21/16/67/943211667.db2.gz HCMKSEQBZYFPEM-UHFFFAOYSA-N 0 0 421.125 4.350 20 5 HIBDRN Cc1cccc(C)c1OC[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000557577608 943216586 /nfs/dbraw/zinc/21/65/86/943216586.db2.gz UTRPPTCBQVUZBX-NRFANRHFSA-N 0 0 419.481 4.220 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)[S@@]1=O ZINC000557579011 943216706 /nfs/dbraw/zinc/21/67/06/943216706.db2.gz SHGOHNCXUKFPSZ-SCVXQASVSA-N 0 0 418.540 4.118 20 5 HIBDRN O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000557595304 943223949 /nfs/dbraw/zinc/22/39/49/943223949.db2.gz HIEDTDYOIZVDTR-INIZCTEOSA-N 0 0 408.241 4.236 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1[N+](=O)[O-] ZINC000557625905 943236363 /nfs/dbraw/zinc/23/63/63/943236363.db2.gz NTCAICWIGNVEBW-KRWDZBQOSA-N 0 0 412.833 4.335 20 5 HIBDRN CC[C@](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)(C(=O)OC)c1ccc(Cl)cc1 ZINC000557627965 943237744 /nfs/dbraw/zinc/23/77/44/943237744.db2.gz NFRMOOGMFYOIEA-GOSISDBHSA-N 0 0 411.241 4.110 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000557682161 943258347 /nfs/dbraw/zinc/25/83/47/943258347.db2.gz LFIHMWCLPJWNAP-UHFFFAOYSA-N 0 0 403.364 4.145 20 5 HIBDRN O=c1c(Cl)c(N2CCC=C(c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000557689405 943259013 /nfs/dbraw/zinc/25/90/13/943259013.db2.gz KOXOPVPPRLKOGH-UHFFFAOYSA-N 0 0 408.845 4.088 20 5 HIBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCOC[C@H]1CC(F)F ZINC000557724334 943270158 /nfs/dbraw/zinc/27/01/58/943270158.db2.gz SNLUTTJUDUOKQT-OAHLLOKOSA-N 0 0 408.426 4.242 20 5 HIBDRN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000557741334 943276343 /nfs/dbraw/zinc/27/63/43/943276343.db2.gz KQSQDJJSVZGPGO-GFCCVEGCSA-N 0 0 405.380 4.279 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000557745159 943276769 /nfs/dbraw/zinc/27/67/69/943276769.db2.gz MNYIOHRRPYIMDE-HXUWFJFHSA-N 0 0 422.403 4.064 20 5 HIBDRN C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000557762931 943283737 /nfs/dbraw/zinc/28/37/37/943283737.db2.gz XKCUODRKILLAFX-SCLBCKFNSA-N 0 0 408.376 4.145 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000557793956 943293480 /nfs/dbraw/zinc/29/34/80/943293480.db2.gz WPQORYYMMARWBW-FQEVSTJZSA-N 0 0 419.428 4.375 20 5 HIBDRN C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)c2ccccc21 ZINC000557886159 943321538 /nfs/dbraw/zinc/32/15/38/943321538.db2.gz ZKKUDHLSULKPQP-AWEZNQCLSA-N 0 0 411.437 4.191 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000557901274 943324195 /nfs/dbraw/zinc/32/41/95/943324195.db2.gz SRFYKYZHCREIJO-IFMALSPDSA-N 0 0 411.502 4.255 20 5 HIBDRN CCc1[nH]nc(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000557929602 943331091 /nfs/dbraw/zinc/33/10/91/943331091.db2.gz IGQCISCABAESHM-UHFFFAOYSA-N 0 0 416.869 4.269 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(C)c1OC ZINC000557989459 943348365 /nfs/dbraw/zinc/34/83/65/943348365.db2.gz CFXQRNBICNDAGD-NSHDSACASA-N 0 0 410.373 4.013 20 5 HIBDRN CSCc1ccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000558020256 943358099 /nfs/dbraw/zinc/35/80/99/943358099.db2.gz MRTKXOMNBURXOU-UHFFFAOYSA-N 0 0 413.421 4.476 20 5 HIBDRN COc1ccc(NC(=O)CCN(C)Cc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 ZINC000558062386 943369622 /nfs/dbraw/zinc/36/96/22/943369622.db2.gz KOAQCBGITJZUIJ-UHFFFAOYSA-N 0 0 412.273 4.371 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N(Cc2ccc(F)cc2F)C2CCCC2)cc1 ZINC000558094127 943378569 /nfs/dbraw/zinc/37/85/69/943378569.db2.gz FJYAGJIAMCPZFZ-UHFFFAOYSA-N 0 0 410.442 4.148 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(Oc2ccccc2Cl)CC1 ZINC000558158674 943399981 /nfs/dbraw/zinc/39/99/81/943399981.db2.gz VBWDUTKOHXKVSA-UHFFFAOYSA-N 0 0 410.804 4.139 20 5 HIBDRN COc1cc(C(=O)NCC(C)(C)C(C)(C)C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000558265090 943467162 /nfs/dbraw/zinc/46/71/62/943467162.db2.gz UZLWUAJYCCMHKR-UHFFFAOYSA-N 0 0 421.519 4.441 20 5 HIBDRN Cc1cccc(Cc2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 ZINC000558296599 943489765 /nfs/dbraw/zinc/48/97/65/943489765.db2.gz RFESEQHTRKURKX-LJQANCHMSA-N 0 0 406.442 4.163 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](CC)c2cccc(OC)c2)cc1OC ZINC000558298545 943492086 /nfs/dbraw/zinc/49/20/86/943492086.db2.gz OYTJMMXJRLONJW-QGZVFWFLSA-N 0 0 402.447 4.234 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000558303177 943493445 /nfs/dbraw/zinc/49/34/45/943493445.db2.gz LZKXTEKEBOICNZ-GOSISDBHSA-N 0 0 400.500 4.243 20 5 HIBDRN CC[C@](C)(NC(=O)c1ccccc1)c1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000558396618 943546717 /nfs/dbraw/zinc/54/67/17/943546717.db2.gz BYAOJUPCNGFXQS-IBGZPJMESA-N 0 0 400.822 4.353 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(Br)cc1F ZINC000558471188 943568429 /nfs/dbraw/zinc/56/84/29/943568429.db2.gz XIMCMOKSKCMKET-NSHDSACASA-N 0 0 410.243 4.094 20 5 HIBDRN Cc1c(CC(=O)NCCc2c[nH]c3cccc(Br)c23)cccc1[N+](=O)[O-] ZINC000558557044 943597284 /nfs/dbraw/zinc/59/72/84/943597284.db2.gz GNCVLYSIPABSNM-UHFFFAOYSA-N 0 0 416.275 4.048 20 5 HIBDRN O=[N+]([O-])c1ccccc1Cc1noc(-c2cccc(-n3nccc3C(F)(F)F)c2)n1 ZINC000558560350 943598412 /nfs/dbraw/zinc/59/84/12/943598412.db2.gz WAGRPYCWMFKSGA-UHFFFAOYSA-N 0 0 415.331 4.440 20 5 HIBDRN Cc1cc(C(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000558574890 943605051 /nfs/dbraw/zinc/60/50/51/943605051.db2.gz VYSZMVUCIQZYOV-KRWDZBQOSA-N 0 0 410.348 4.016 20 5 HIBDRN Cn1cc(-c2nc(-c3ccc(Br)o3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000558597012 943613409 /nfs/dbraw/zinc/61/34/09/943613409.db2.gz VPPCQNWAWNNYFW-UHFFFAOYSA-N 0 0 416.191 4.068 20 5 HIBDRN Cc1sc([C@@H](C)Nc2nccc(C(N)=O)c2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000558601340 943614123 /nfs/dbraw/zinc/61/41/23/943614123.db2.gz BOHWYGSMCKJSLG-SECBINFHSA-N 0 0 417.878 4.347 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2ccc(OCC(F)(F)F)nc2)c(Br)c1 ZINC000558652449 943624341 /nfs/dbraw/zinc/62/43/41/943624341.db2.gz QGWCQOBSDZLBRT-UHFFFAOYSA-N 0 0 406.158 4.306 20 5 HIBDRN C[C@H](C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000558694798 943629882 /nfs/dbraw/zinc/62/98/82/943629882.db2.gz UPIOHSPBIMMGQF-WFASDCNBSA-N 0 0 408.285 4.400 20 5 HIBDRN C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 ZINC000558694796 943629909 /nfs/dbraw/zinc/62/99/09/943629909.db2.gz UPIOHSPBIMMGQF-IUODEOHRSA-N 0 0 408.285 4.400 20 5 HIBDRN COc1ccc(-c2ccc(C)c(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)c2)cn1 ZINC000558731613 943634529 /nfs/dbraw/zinc/63/45/29/943634529.db2.gz ZDYBUHYGNGGYJH-UHFFFAOYSA-N 0 0 403.398 4.102 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000558747560 943639793 /nfs/dbraw/zinc/63/97/93/943639793.db2.gz RNUQPWCDMQCUFP-UHFFFAOYSA-N 0 0 418.881 4.094 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OC3CCCC3)c(OC)c2)c1 ZINC000558747616 943639987 /nfs/dbraw/zinc/63/99/87/943639987.db2.gz BAADMORPSYQEQR-UHFFFAOYSA-N 0 0 414.458 4.254 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3sc(C)nc3C)cs2)c1 ZINC000558764865 943651182 /nfs/dbraw/zinc/65/11/82/943651182.db2.gz JEJHFGUDHWSJGW-UHFFFAOYSA-N 0 0 404.473 4.443 20 5 HIBDRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000558764947 943651899 /nfs/dbraw/zinc/65/18/99/943651899.db2.gz PQMWULIUWBACRB-MSOLQXFVSA-N 0 0 405.433 4.354 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c1 ZINC000558788131 943663598 /nfs/dbraw/zinc/66/35/98/943663598.db2.gz GJQUVUFGYSIGBF-BLLLJJGKSA-N 0 0 423.238 4.181 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)c1 ZINC000558791865 943664846 /nfs/dbraw/zinc/66/48/46/943664846.db2.gz OEXXKNRVJRIMBL-ZYHUDNBSSA-N 0 0 411.277 4.103 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC)c(Br)c2)c1 ZINC000558804520 943670027 /nfs/dbraw/zinc/67/00/27/943670027.db2.gz VVOAHRTYKRFLNC-UHFFFAOYSA-N 0 0 409.236 4.407 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@](F)(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000558816005 943676352 /nfs/dbraw/zinc/67/63/52/943676352.db2.gz MMRKDBUGWDBHNN-FQEVSTJZSA-N 0 0 422.453 4.073 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@](F)(c2ccccc2F)C1 ZINC000558819767 943678129 /nfs/dbraw/zinc/67/81/29/943678129.db2.gz XUSMORDTLSEZEM-RUZDIDTESA-N 0 0 418.443 4.391 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)c1 ZINC000558830528 943683698 /nfs/dbraw/zinc/68/36/98/943683698.db2.gz GEIOWIPIRYHGGL-OAHLLOKOSA-N 0 0 408.458 4.198 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000558914439 943744051 /nfs/dbraw/zinc/74/40/51/943744051.db2.gz NOMWYLPBYOFNDD-GOSISDBHSA-N 0 0 413.865 4.105 20 5 HIBDRN CCCc1nc(C)c(CNc2ccc(I)cc2[N+](=O)[O-])o1 ZINC000558953129 943770221 /nfs/dbraw/zinc/77/02/21/943770221.db2.gz PBFDZPNUJWEWCU-UHFFFAOYSA-N 0 0 401.204 4.060 20 5 HIBDRN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1=O ZINC000558982184 943784306 /nfs/dbraw/zinc/78/43/06/943784306.db2.gz CWTBUUNQNNDICE-JLTOFOAXSA-N 0 0 408.433 4.446 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000559026573 943809160 /nfs/dbraw/zinc/80/91/60/943809160.db2.gz WQUSXVRPFZNQJU-UHFFFAOYSA-N 0 0 417.465 4.025 20 5 HIBDRN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCO[C@@H](c2ccccc2)C1 ZINC000559093936 943835765 /nfs/dbraw/zinc/83/57/65/943835765.db2.gz ZPODFRAOPUMGSM-HXUWFJFHSA-N 0 0 407.474 4.087 20 5 HIBDRN CC(C)CO[C@@H](C)c1noc(CN(C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000559105834 943842192 /nfs/dbraw/zinc/84/21/92/943842192.db2.gz IAAHVXBBVMJLKK-LBPRGKRZSA-N 0 0 416.400 4.362 20 5 HIBDRN Cc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO2)s1 ZINC000559109195 943842948 /nfs/dbraw/zinc/84/29/48/943842948.db2.gz GCQRKSKMVGSNTR-QGZVFWFLSA-N 0 0 413.503 4.039 20 5 HIBDRN CC(C)C[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)C1 ZINC000559173516 943861702 /nfs/dbraw/zinc/86/17/02/943861702.db2.gz PNBVPSAPGQFHKI-QZTJIDSGSA-N 0 0 413.522 4.152 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2ccccc2)n1C[C@@H]1CCCCO1 ZINC000559188859 943866389 /nfs/dbraw/zinc/86/63/89/943866389.db2.gz HBNZVVQWSADTJE-IBGZPJMESA-N 0 0 407.474 4.059 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@@]4(CC=CCC4)C3)n2C[C@H]2CCOC2)cc1 ZINC000559215614 943875686 /nfs/dbraw/zinc/87/56/86/943875686.db2.gz XAGNCULNFDBVKZ-JPYJTQIMSA-N 0 0 423.517 4.217 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000559248271 943885657 /nfs/dbraw/zinc/88/56/57/943885657.db2.gz QSBNNHVOLGFDLU-LJQANCHMSA-N 0 0 412.383 4.180 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ncn(-c4ccccc4)n3)o2)c(Cl)c1 ZINC000559358108 943908947 /nfs/dbraw/zinc/90/89/47/943908947.db2.gz GEESBWKAJDQOIM-UHFFFAOYSA-N 0 0 409.833 4.379 20 5 HIBDRN CC(=O)c1cc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000559616675 944017370 /nfs/dbraw/zinc/01/73/70/944017370.db2.gz YZKRXRCHTMYKRB-QGZVFWFLSA-N 0 0 419.384 4.006 20 5 HIBDRN O=C(CNc1cc(Br)cc([N+](=O)[O-])c1)Nc1ccc(OC(F)F)cc1 ZINC000559946650 944095409 /nfs/dbraw/zinc/09/54/09/944095409.db2.gz QKBZKBMXUJTZJY-UHFFFAOYSA-N 0 0 416.178 4.009 20 5 HIBDRN O=C(CNc1cc(Br)cc([N+](=O)[O-])c1)Nc1ccc(F)cc1Cl ZINC000559946573 944095532 /nfs/dbraw/zinc/09/55/32/944095532.db2.gz PDLIYQKTRMQPPO-UHFFFAOYSA-N 0 0 402.607 4.200 20 5 HIBDRN O=C(c1cnc2c(F)ccc(F)c2c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000560000000 944122757 /nfs/dbraw/zinc/12/27/57/944122757.db2.gz GJXDZHQPQNTVSL-IBGZPJMESA-N 0 0 401.394 4.309 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](c2ccc(F)cc2)O1 ZINC000560000569 944124519 /nfs/dbraw/zinc/12/45/19/944124519.db2.gz XEMKRKPEWXKWLI-APPDUMDISA-N 0 0 412.339 4.355 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000560116196 944164813 /nfs/dbraw/zinc/16/48/13/944164813.db2.gz IGACUXDUFYHUGN-LBPRGKRZSA-N 0 0 409.202 4.469 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000560118831 944166539 /nfs/dbraw/zinc/16/65/39/944166539.db2.gz SPQROTVDEUJCQE-JOYOIKCWSA-N 0 0 409.202 4.469 20 5 HIBDRN Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000560197297 944194076 /nfs/dbraw/zinc/19/40/76/944194076.db2.gz CZFJRIVLBYBHJQ-OAHLLOKOSA-N 0 0 401.438 4.227 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000560198464 944195142 /nfs/dbraw/zinc/19/51/42/944195142.db2.gz GUWPXHKXXHKIIQ-DOTOQJQBSA-N 0 0 415.877 4.157 20 5 HIBDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000560272883 944214720 /nfs/dbraw/zinc/21/47/20/944214720.db2.gz QMDXFPRSIYIFHQ-OAHLLOKOSA-N 0 0 421.453 4.018 20 5 HIBDRN Cn1ccnc1[C@H](NCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000560514963 944240103 /nfs/dbraw/zinc/24/01/03/944240103.db2.gz SEOOCMFFCWSYJH-GOSISDBHSA-N 0 0 420.391 4.149 20 5 HIBDRN Cn1ccnc1[C@@H](N[C@@H](c1nccs1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000560529979 944243897 /nfs/dbraw/zinc/24/38/97/944243897.db2.gz NVRYSTQXQZYNLQ-RBUKOAKNSA-N 0 0 405.483 4.253 20 5 HIBDRN COc1cc(CN2CCOC3(CCCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000560558514 944254967 /nfs/dbraw/zinc/25/49/67/944254967.db2.gz QPHMHSCFAOIARQ-UHFFFAOYSA-N 0 0 412.486 4.327 20 5 HIBDRN O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000560823269 944346181 /nfs/dbraw/zinc/34/61/81/944346181.db2.gz PEGICCCYABJRRI-UHFFFAOYSA-N 0 0 417.830 4.030 20 5 HIBDRN CSc1ccc(C(=O)NCCc2cnc(SC3CCCC3)nc2)cc1[N+](=O)[O-] ZINC000560829631 944349061 /nfs/dbraw/zinc/34/90/61/944349061.db2.gz YVTHZSUTPSPZLQ-UHFFFAOYSA-N 0 0 418.544 4.114 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000560881814 944364788 /nfs/dbraw/zinc/36/47/88/944364788.db2.gz SDZLZORRHHNQMP-UHFFFAOYSA-N 0 0 404.448 4.438 20 5 HIBDRN CCNc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000560940719 944373888 /nfs/dbraw/zinc/37/38/88/944373888.db2.gz MUMMJWPJWNINAZ-AEFFLSMTSA-N 0 0 407.829 4.079 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)c1 ZINC000560978859 944383957 /nfs/dbraw/zinc/38/39/57/944383957.db2.gz LZMWWNXOFBJPEE-LJQANCHMSA-N 0 0 406.442 4.368 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000561037976 944410154 /nfs/dbraw/zinc/41/01/54/944410154.db2.gz AAAPJPDFHLDXNT-ZDUSSCGKSA-N 0 0 422.359 4.362 20 5 HIBDRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000561066469 944425437 /nfs/dbraw/zinc/42/54/37/944425437.db2.gz YMWQTUHOSWNRQN-PIGZYNQJSA-N 0 0 412.339 4.355 20 5 HIBDRN C[C@H](NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1ccccc1[N+](=O)[O-] ZINC000561087593 944442049 /nfs/dbraw/zinc/44/20/49/944442049.db2.gz JNQWLHDYMRIISK-ZDUSSCGKSA-N 0 0 405.401 4.187 20 5 HIBDRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)CC2CC2)ccc1[N+](=O)[O-] ZINC000561096673 944447130 /nfs/dbraw/zinc/44/71/30/944447130.db2.gz MCPXOWGXBUDONS-UHFFFAOYSA-N 0 0 404.850 4.074 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000561193580 944508855 /nfs/dbraw/zinc/50/88/55/944508855.db2.gz LFQTZSZRMMJOQF-QRVBRYPASA-N 0 0 408.479 4.454 20 5 HIBDRN O=C(N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000561197771 944511249 /nfs/dbraw/zinc/51/12/49/944511249.db2.gz QVMANLHNKQDKSF-UHFFFAOYSA-N 0 0 420.513 4.008 20 5 HIBDRN NC(=O)c1cccc(N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000561211750 944515635 /nfs/dbraw/zinc/51/56/35/944515635.db2.gz DYIUKCAKUXQQPK-UHFFFAOYSA-N 0 0 424.284 4.296 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(Sc2nnc(-c3cccc4ccccc43)o2)n1 ZINC000561210301 944516222 /nfs/dbraw/zinc/51/62/22/944516222.db2.gz HMNAYEKGYGKSGN-UHFFFAOYSA-N 0 0 408.395 4.131 20 5 HIBDRN COc1cc2[nH]c(CCCNc3ncnc4sc([N+](=O)[O-])cc43)cc2c(OC)c1 ZINC000561233989 944523208 /nfs/dbraw/zinc/52/32/08/944523208.db2.gz SCLWLNQAZLQGSJ-UHFFFAOYSA-N 0 0 413.459 4.143 20 5 HIBDRN CN1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561282842 944539222 /nfs/dbraw/zinc/53/92/22/944539222.db2.gz JYGTUUYHWLSQHJ-DZGCQCFKSA-N 0 0 407.858 4.249 20 5 HIBDRN CCc1nc2ccccc2n1C1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000561289530 944541346 /nfs/dbraw/zinc/54/13/46/944541346.db2.gz BHIRMXDFPVGQTJ-UHFFFAOYSA-N 0 0 408.487 4.353 20 5 HIBDRN COc1cc(OC)cc(C2(F)CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)c1 ZINC000561345274 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ZINC000567156911 946258665 /nfs/dbraw/zinc/25/86/65/946258665.db2.gz DKFZPVSQJOHKGO-UHFFFAOYSA-N 0 0 408.336 4.370 20 5 HIBDRN CCN1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567160293 946259612 /nfs/dbraw/zinc/25/96/12/946259612.db2.gz UVYQJVPLLWGENU-CAYVGHNUSA-N 0 0 419.884 4.443 20 5 HIBDRN CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567160295 946260170 /nfs/dbraw/zinc/26/01/70/946260170.db2.gz UVYQJVPLLWGENU-MRFFXTKBSA-N 0 0 419.884 4.443 20 5 HIBDRN COC(=O)c1cc(-c2nc(-c3ccc(C)c(N4CCCC4)c3)no2)cc([N+](=O)[O-])c1 ZINC000567212845 946273569 /nfs/dbraw/zinc/27/35/69/946273569.db2.gz ZJUVVIGYNXYXRQ-UHFFFAOYSA-N 0 0 408.414 4.007 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000567302844 946303027 /nfs/dbraw/zinc/30/30/27/946303027.db2.gz BYPRKNJIXMPRPM-UHFFFAOYSA-N 0 0 421.478 4.349 20 5 HIBDRN O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000567384471 946320760 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CC[C@@]1(c2ccc(C)cc2)CC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O ZINC000571508678 947689021 /nfs/dbraw/zinc/68/90/21/947689021.db2.gz CLEGBJFMCRPYPX-QHCPKHFHSA-N 0 0 419.437 4.165 20 5 HIBDRN CC[C@]1(c2ccc(C)cc2)CC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O ZINC000571508675 947689210 /nfs/dbraw/zinc/68/92/10/947689210.db2.gz CLEGBJFMCRPYPX-HSZRJFAPSA-N 0 0 419.437 4.165 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000571558290 947700474 /nfs/dbraw/zinc/70/04/74/947700474.db2.gz CQCROXYWHRVVBP-UHFFFAOYSA-N 0 0 405.401 4.347 20 5 HIBDRN C[C@@]1(C(F)(F)F)c2ccccc2CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000571562106 947702369 /nfs/dbraw/zinc/70/23/69/947702369.db2.gz SZLCFYASIRNHRF-SFHVURJKSA-N 0 0 414.330 4.278 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3ccccc3OCCOc3ccccc3)n2)nc1 ZINC000571564147 947704380 /nfs/dbraw/zinc/70/43/80/947704380.db2.gz GDQYQVLMLGGRBH-UHFFFAOYSA-N 0 0 418.409 4.088 20 5 HIBDRN Cc1c(NC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000571569513 947706062 /nfs/dbraw/zinc/70/60/62/947706062.db2.gz DOUCBRHBTGEXFU-LSDHHAIUSA-N 0 0 412.284 4.087 20 5 HIBDRN CCc1ccc(C(=O)N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000571682605 947745765 /nfs/dbraw/zinc/74/57/65/947745765.db2.gz VPZSFKRCSPTEEN-SFHVURJKSA-N 0 0 424.375 4.270 20 5 HIBDRN CN1C(=O)CCc2cc(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])ccc21 ZINC000571865663 947805858 /nfs/dbraw/zinc/80/58/58/947805858.db2.gz KPCHJLIQHCNLDN-UHFFFAOYSA-N 0 0 416.306 4.297 20 5 HIBDRN Cc1cncc(N(Cc2ccc(F)cc2)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000571916568 947811565 /nfs/dbraw/zinc/81/15/65/947811565.db2.gz AEHQNCKLKMRZEW-UHFFFAOYSA-N 0 0 415.371 4.491 20 5 HIBDRN C[C@@H](C(=O)NCC1(c2ccccc2Br)CC1)c1cccc([N+](=O)[O-])c1 ZINC000571941977 947816923 /nfs/dbraw/zinc/81/69/23/947816923.db2.gz GRZQAJSPYRABNX-CYBMUJFWSA-N 0 0 403.276 4.309 20 5 HIBDRN CC(C)(C)C1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)CC1 ZINC000572130963 947848211 /nfs/dbraw/zinc/84/82/11/947848211.db2.gz SHOIFTIAFLXDLE-INIZCTEOSA-N 0 0 413.522 4.152 20 5 HIBDRN COCCN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](C)c1ccccc1 ZINC000572214299 947866996 /nfs/dbraw/zinc/86/69/96/947866996.db2.gz ZODMMGDRWLNEGQ-INIZCTEOSA-N 0 0 410.474 4.038 20 5 HIBDRN COc1cc(Cc2noc([C@H]3C[C@@H]3c3cc(F)ccc3F)n2)c([N+](=O)[O-])c(OC)c1 ZINC000572328564 947885889 /nfs/dbraw/zinc/88/58/89/947885889.db2.gz YPOBIZIAJVNNMN-HIFRSBDPSA-N 0 0 417.368 4.135 20 5 HIBDRN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000572762634 948004352 /nfs/dbraw/zinc/00/43/52/948004352.db2.gz YMWFPMNUAUGJFH-LBPRGKRZSA-N 0 0 409.368 4.442 20 5 HIBDRN O=c1[nH]cnc2cc(N3CC[C@@H](Sc4cccc(Cl)c4)C3)c([N+](=O)[O-])cc12 ZINC000572815620 948017743 /nfs/dbraw/zinc/01/77/43/948017743.db2.gz WMWUZHMLHKICIO-CYBMUJFWSA-N 0 0 402.863 4.268 20 5 HIBDRN CCOc1cccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2CC)c1OC(F)F ZINC000573049161 948070820 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NOYHUTGZMIJAAK-SNVBAGLBSA-N 0 0 404.414 4.443 20 5 HIBDRN COc1cc(Cc2noc([C@@H](C)Cn3ccc4ccccc43)n2)c([N+](=O)[O-])c(OC)c1 ZINC000573645072 948264397 /nfs/dbraw/zinc/26/43/97/948264397.db2.gz KRZWFAKNFYCEMG-AWEZNQCLSA-N 0 0 422.441 4.344 20 5 HIBDRN CC[C@@](C)(NCc1cc(I)cc([N+](=O)[O-])c1)c1nccs1 ZINC000574083837 948361292 /nfs/dbraw/zinc/36/12/92/948361292.db2.gz JGSBXVAMINXXOJ-CQSZACIVSA-N 0 0 417.272 4.071 20 5 HIBDRN C[C@H](CNC(=O)c1ccccc1)c1noc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000574238711 948394873 /nfs/dbraw/zinc/39/48/73/948394873.db2.gz ISKZTHPZAIVNHI-OAHLLOKOSA-N 0 0 424.460 4.265 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc([N+](=O)[O-])c1 ZINC000574350972 948420739 /nfs/dbraw/zinc/42/07/39/948420739.db2.gz WSACWCQJJSLWLQ-OAHLLOKOSA-N 0 0 405.458 4.322 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(-c2cn(Cc3ccccc3)nn2)no1 ZINC000574363847 948425433 /nfs/dbraw/zinc/42/54/33/948425433.db2.gz ZWPNJPBXMJPHKK-CYBMUJFWSA-N 0 0 408.443 4.138 20 5 HIBDRN Cc1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(Cl)cc1 ZINC000574483961 948455389 /nfs/dbraw/zinc/45/53/89/948455389.db2.gz DGIBSTGYGQPIQK-UHFFFAOYSA-N 0 0 402.863 4.473 20 5 HIBDRN O=C(Nc1cccc2c1CNC2=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000574592877 948485138 /nfs/dbraw/zinc/48/51/38/948485138.db2.gz LIHIKTATWSPVTK-UHFFFAOYSA-N 0 0 405.435 4.242 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000574668932 948500204 /nfs/dbraw/zinc/50/02/04/948500204.db2.gz HEJNXLXVJZRGJI-UHFFFAOYSA-N 0 0 411.364 4.307 20 5 HIBDRN C[S@](=O)Cc1noc(-c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 ZINC000575024544 948575859 /nfs/dbraw/zinc/57/58/59/948575859.db2.gz HFPJTZPMEKJISK-SANMLTNESA-N 0 0 409.876 4.328 20 5 HIBDRN CCNC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000575030882 948578869 /nfs/dbraw/zinc/57/88/69/948578869.db2.gz ATROQUUQZPLWOQ-KRWDZBQOSA-N 0 0 421.563 4.254 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCCc1c[nH]c2cccc(Br)c12 ZINC000575374172 948662900 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406.845 4.263 20 5 HIBDRN CCCc1n[nH]c(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000575891067 948754598 /nfs/dbraw/zinc/75/45/98/948754598.db2.gz KDEOIOFWCBZFFB-ZDUSSCGKSA-N 0 0 410.396 4.309 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNc2nnc(C3CC3)s2)cc1 ZINC000575945081 948794432 /nfs/dbraw/zinc/79/44/32/948794432.db2.gz NYHCGFGKQACUAC-UHFFFAOYSA-N 0 0 418.482 4.789 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000576005535 948807672 /nfs/dbraw/zinc/80/76/72/948807672.db2.gz XTPXVBTZNRIWKH-UHFFFAOYSA-N 0 0 424.501 4.317 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@@H]4CC(F)(F)[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164410581 718872071 /nfs/dbraw/zinc/87/20/71/718872071.db2.gz DKLHPSHRDLIFEO-GXFFZTMASA-N 0 0 416.762 4.342 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3CC(F)(F)[C@H]3C2)c(Cl)nn1 ZINC001164411016 718872406 /nfs/dbraw/zinc/87/24/06/718872406.db2.gz LFNCKNYLRXANNZ-CABZTGNLSA-N 0 0 416.762 4.342 20 5 HIBDRN C[C@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)[C@@H](C)CN1C ZINC001164634601 719257790 /nfs/dbraw/zinc/25/77/90/719257790.db2.gz NGRNHEQUVPNOMA-STQMWFEESA-N 0 0 410.852 4.384 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCn3cccc3C2)c(Cl)nn1 ZINC001165052485 721992284 /nfs/dbraw/zinc/99/22/84/721992284.db2.gz ZXIYIGOELUSPNX-UHFFFAOYSA-N 0 0 405.792 4.072 20 5 HIBDRN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000435931551 861191727 /nfs/dbraw/zinc/19/17/27/861191727.db2.gz XEQXZEKHSVIIQG-JKSUJKDBSA-N 0 0 414.220 4.163 20 5 HIBDRN C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1nc2ccccc2[nH]1 ZINC000435933022 861194552 /nfs/dbraw/zinc/19/45/52/861194552.db2.gz DCYOEUKFHJPBSL-NSHDSACASA-N 0 0 418.403 4.327 20 5 HIBDRN C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435977830 861245343 /nfs/dbraw/zinc/24/53/43/861245343.db2.gz HBVPMQAVZGECAN-RBZFPXEDSA-N 0 0 414.452 4.285 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(COc4cccc(F)c4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000435985600 861257426 /nfs/dbraw/zinc/25/74/26/861257426.db2.gz RYZIGIYTWCFZHF-UHFFFAOYSA-N 0 0 423.404 4.225 20 5 HIBDRN CCn1ccnc1[C@@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000435987365 861261615 /nfs/dbraw/zinc/26/16/15/861261615.db2.gz WXIJLUPAPKGZDY-AWEZNQCLSA-N 0 0 408.911 4.311 20 5 HIBDRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000435992740 861272264 /nfs/dbraw/zinc/27/22/64/861272264.db2.gz DQQVZBAEFMQNMR-IBGZPJMESA-N 0 0 402.838 4.102 20 5 HIBDRN Cc1c(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1F ZINC000436012059 861302765 /nfs/dbraw/zinc/30/27/65/861302765.db2.gz SKUBLAFFDHYJBG-NSHDSACASA-N 0 0 417.828 4.321 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2noc(-c3ccc(F)cc3F)n2)c(Br)c1 ZINC000436048504 861337373 /nfs/dbraw/zinc/33/73/73/861337373.db2.gz FJHSRGQQKWWOOG-UHFFFAOYSA-N 0 0 412.146 4.265 20 5 HIBDRN CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000436064936 861346722 /nfs/dbraw/zinc/34/67/22/861346722.db2.gz KMUDPYAPIZTIJU-UHFFFAOYSA-N 0 0 413.477 4.462 20 5 HIBDRN COc1ccc(F)cc1[C@@H](C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436068236 861349900 /nfs/dbraw/zinc/34/99/00/861349900.db2.gz OTKYTXHJBKSAJV-GFCCVEGCSA-N 0 0 408.404 4.459 20 5 HIBDRN O=C(NCc1ccc(OC2CCCC2)nc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436069374 861350726 /nfs/dbraw/zinc/35/07/26/861350726.db2.gz RLUTZONOWDXXQU-UHFFFAOYSA-N 0 0 413.477 4.328 20 5 HIBDRN C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc2c(c1)CCC(=O)N2 ZINC000436070909 861351060 /nfs/dbraw/zinc/35/10/60/861351060.db2.gz BXIDUAFWVFYSNT-AWEZNQCLSA-N 0 0 411.461 4.057 20 5 HIBDRN Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436085105 861363741 /nfs/dbraw/zinc/36/37/41/861363741.db2.gz SFNIYONRMUIVOP-UHFFFAOYSA-N 0 0 413.477 4.079 20 5 HIBDRN O=C(NCc1cc(F)cc(F)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436092039 861372542 /nfs/dbraw/zinc/37/25/42/861372542.db2.gz WFUYHDPJAYBWFU-UHFFFAOYSA-N 0 0 400.331 4.168 20 5 HIBDRN O=C(NCc1ccc(F)c(F)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436099255 861382160 /nfs/dbraw/zinc/38/21/60/861382160.db2.gz LHTKUCURQYCZBJ-UHFFFAOYSA-N 0 0 400.331 4.168 20 5 HIBDRN O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436103361 861386814 /nfs/dbraw/zinc/38/68/14/861386814.db2.gz ASKYTDGOCFPYAI-MRXNPFEDSA-N 0 0 415.468 4.077 20 5 HIBDRN O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436103360 861387254 /nfs/dbraw/zinc/38/72/54/861387254.db2.gz ASKYTDGOCFPYAI-INIZCTEOSA-N 0 0 415.468 4.077 20 5 HIBDRN COc1ccc(OCCCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000436150353 861448950 /nfs/dbraw/zinc/44/89/50/861448950.db2.gz SSCUGJITZWGNMF-UHFFFAOYSA-N 0 0 420.440 4.028 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000436172327 861475000 /nfs/dbraw/zinc/47/50/00/861475000.db2.gz PSFSGDHSIMDZBP-CHWSQXEVSA-N 0 0 401.850 4.229 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000436180267 861483011 /nfs/dbraw/zinc/48/30/11/861483011.db2.gz BIHNOQAXUXZCJX-HXUWFJFHSA-N 0 0 410.861 4.228 20 5 HIBDRN CC[C@@H](C)[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(F)(F)F ZINC000436186385 861488394 /nfs/dbraw/zinc/48/83/94/861488394.db2.gz NSAUBLHGDLIBSM-PRHODGIISA-N 0 0 402.291 4.243 20 5 HIBDRN O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000003488583 845027474 /nfs/dbraw/zinc/02/74/74/845027474.db2.gz MMPLMQKLZTWBMJ-UHFFFAOYSA-N 0 0 424.384 4.108 20 5 HIBDRN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003497526 845029345 /nfs/dbraw/zinc/02/93/45/845029345.db2.gz AZXQZXFKSPKTKS-UHFFFAOYSA-N 0 0 415.789 4.007 20 5 HIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](OC(=O)c1ccco1)c1ccccc1 ZINC000003514477 845032848 /nfs/dbraw/zinc/03/28/48/845032848.db2.gz XXKZTBQZYHLYJN-KRWDZBQOSA-N 0 0 400.774 4.378 20 5 HIBDRN Cc1c(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cccc1[N+](=O)[O-] ZINC000003560508 845039788 /nfs/dbraw/zinc/03/97/88/845039788.db2.gz DHAMLTYFWKSSDF-UHFFFAOYSA-N 0 0 408.483 4.170 20 5 HIBDRN C[C@@H](OC(=O)c1ccccc1OC(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003573461 845042643 /nfs/dbraw/zinc/04/26/43/845042643.db2.gz DGWWWIZOYQUOIF-SECBINFHSA-N 0 0 414.748 4.034 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccs1 ZINC000003587267 845042693 /nfs/dbraw/zinc/04/26/93/845042693.db2.gz ISDDCYBXWOOJDN-LLVKDONJSA-N 0 0 403.489 4.054 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004219494 845046125 /nfs/dbraw/zinc/04/61/25/845046125.db2.gz KSIFQAXEWZXDCS-UHFFFAOYSA-N 0 0 402.472 4.166 20 5 HIBDRN Cc1cc(OCCCC(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000004341532 845053826 /nfs/dbraw/zinc/05/38/26/845053826.db2.gz ODVYETBYUMVMLB-CQSZACIVSA-N 0 0 420.849 4.286 20 5 HIBDRN CSc1ccc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000004797193 845066528 /nfs/dbraw/zinc/06/65/28/845066528.db2.gz WWRJMRSPCVRJOT-UHFFFAOYSA-N 0 0 408.863 4.382 20 5 HIBDRN C[C@@H](OC(=O)c1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004846863 845070130 /nfs/dbraw/zinc/07/01/30/845070130.db2.gz BGGSDDQDLCFOBC-MRXNPFEDSA-N 0 0 404.422 4.370 20 5 HIBDRN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000004977462 845075168 /nfs/dbraw/zinc/07/51/68/845075168.db2.gz BXNRMDIVZLLKMF-UHFFFAOYSA-N 0 0 407.426 4.118 20 5 HIBDRN Cc1ccc(C)c(Sc2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)c1 ZINC000005039036 845078622 /nfs/dbraw/zinc/07/86/22/845078622.db2.gz HNFFUOIQTPHDJC-UHFFFAOYSA-N 0 0 409.467 4.163 20 5 HIBDRN CNc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000005363513 845106750 /nfs/dbraw/zinc/10/67/50/845106750.db2.gz HEUGKIQHXRDJSF-SECBINFHSA-N 0 0 412.229 4.127 20 5 HIBDRN CNc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000005363511 845107050 /nfs/dbraw/zinc/10/70/50/845107050.db2.gz HEUGKIQHXRDJSF-VIFPVBQESA-N 0 0 412.229 4.127 20 5 HIBDRN CCCc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)sc1C ZINC000005435573 845112618 /nfs/dbraw/zinc/11/26/18/845112618.db2.gz MIUVOMNYWSVPRG-NSHDSACASA-N 0 0 406.460 4.110 20 5 HIBDRN Cc1cc(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2n1 ZINC000005471329 845117841 /nfs/dbraw/zinc/11/78/41/845117841.db2.gz IILBLBCVQZIHCP-CYBMUJFWSA-N 0 0 404.382 4.419 20 5 HIBDRN O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000005467278 845117862 /nfs/dbraw/zinc/11/78/62/845117862.db2.gz HXLAVVMKSJWQMM-UHFFFAOYSA-N 0 0 410.357 4.322 20 5 HIBDRN CC(C)c1ccccc1OCC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005505584 845119700 /nfs/dbraw/zinc/11/97/00/845119700.db2.gz QZTSRLVPKRENHS-AWEZNQCLSA-N 0 0 411.414 4.451 20 5 HIBDRN O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005530829 845121089 /nfs/dbraw/zinc/12/10/89/845121089.db2.gz FYRXEGRHFOSCKM-UHFFFAOYSA-N 0 0 403.605 4.351 20 5 HIBDRN Cc1cc2oc(=O)cc(COC(=O)COc3ccc([N+](=O)[O-])cc3)c2cc1C(C)C ZINC000005676423 845135517 /nfs/dbraw/zinc/13/55/17/845135517.db2.gz MNJUDRUTTVJNCL-UHFFFAOYSA-N 0 0 411.410 4.255 20 5 HIBDRN O=C(NCc1cccnn1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000436234619 861540590 /nfs/dbraw/zinc/54/05/90/861540590.db2.gz YDFZMQSNAQPZIZ-UHFFFAOYSA-N 0 0 400.847 4.119 20 5 HIBDRN O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Nc1ccccc1 ZINC000005972775 845155196 /nfs/dbraw/zinc/15/51/96/845155196.db2.gz NHROKRGFVWNQMU-UHFFFAOYSA-N 0 0 405.410 4.002 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000005975856 845155206 /nfs/dbraw/zinc/15/52/06/845155206.db2.gz LKSKPXRFZKSXBH-UHFFFAOYSA-N 0 0 406.394 4.491 20 5 HIBDRN Cc1cccc(NC(=O)COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000005972771 845155251 /nfs/dbraw/zinc/15/52/51/845155251.db2.gz HWKPZVVYSBUPQE-UHFFFAOYSA-N 0 0 419.437 4.311 20 5 HIBDRN C[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000006013229 845160582 /nfs/dbraw/zinc/16/05/82/845160582.db2.gz BVRFEZMPAVZLJC-OFFHKIPUSA-N 0 0 408.332 4.197 20 5 HIBDRN C[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000006012752 845160757 /nfs/dbraw/zinc/16/07/57/845160757.db2.gz IGBIDQOMIOEGPC-KBVBDRTLSA-N 0 0 408.332 4.197 20 5 HIBDRN C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 ZINC000006038804 845162992 /nfs/dbraw/zinc/16/29/92/845162992.db2.gz KSVWMAAYERLUBL-ZDUSSCGKSA-N 0 0 417.849 4.032 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000006172292 845180601 /nfs/dbraw/zinc/18/06/01/845180601.db2.gz AWEZSMDIGZDHMY-UHFFFAOYSA-N 0 0 404.835 4.337 20 5 HIBDRN O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000006351661 845192402 /nfs/dbraw/zinc/19/24/02/845192402.db2.gz HLLUQTKKYSMNRQ-UHFFFAOYSA-N 0 0 410.357 4.322 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Nc2ccccc2)s1 ZINC000006559453 845210576 /nfs/dbraw/zinc/21/05/76/845210576.db2.gz KASSOBULGXIVQD-UHFFFAOYSA-N 0 0 401.473 4.229 20 5 HIBDRN C[C@@H](OC(=O)CCSc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006587143 845211663 /nfs/dbraw/zinc/21/16/63/845211663.db2.gz JQWHGCLRBYCUQI-GFCCVEGCSA-N 0 0 408.863 4.301 20 5 HIBDRN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000006889703 845220852 /nfs/dbraw/zinc/22/08/52/845220852.db2.gz HVNIBBNSQHBJGF-UHFFFAOYSA-N 0 0 408.385 4.048 20 5 HIBDRN O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000006888683 845220964 /nfs/dbraw/zinc/22/09/64/845220964.db2.gz HXBALNRCKUZBLH-UHFFFAOYSA-N 0 0 403.605 4.351 20 5 HIBDRN C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000006899014 845221879 /nfs/dbraw/zinc/22/18/79/845221879.db2.gz XVRKODAKGBAROA-ABROSTTOSA-N 0 0 406.866 4.335 20 5 HIBDRN CCc1cc(=O)[nH]c(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1 ZINC000436238029 861544649 /nfs/dbraw/zinc/54/46/49/861544649.db2.gz DPLYTXQARKIFDC-IBGZPJMESA-N 0 0 424.482 4.433 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](Oc2cccnc2[N+](=O)[O-])c2ccccc2)cc1Cl ZINC000007044878 845241454 /nfs/dbraw/zinc/24/14/54/845241454.db2.gz DNLBWARFUYUQQB-SFHVURJKSA-N 0 0 413.817 4.411 20 5 HIBDRN Cc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000007070733 845245107 /nfs/dbraw/zinc/24/51/07/845245107.db2.gz DMRIEEYXAGLTKI-LBPRGKRZSA-N 0 0 410.348 4.035 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000007079413 845248012 /nfs/dbraw/zinc/24/80/12/845248012.db2.gz OZMVEFCTSKEPIO-SECBINFHSA-N 0 0 413.213 4.094 20 5 HIBDRN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000007079507 845248056 /nfs/dbraw/zinc/24/80/56/845248056.db2.gz MVUCXPVIHAYQJG-ZIAGYGMSSA-N 0 0 400.431 4.301 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000007079201 845248106 /nfs/dbraw/zinc/24/81/06/845248106.db2.gz PPFHFANRNGCPPD-VIFPVBQESA-N 0 0 413.213 4.094 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000007079281 845248159 /nfs/dbraw/zinc/24/81/59/845248159.db2.gz IMEVZADCVGGKHI-UHFFFAOYSA-N 0 0 406.394 4.066 20 5 HIBDRN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C ZINC000007168580 845269395 /nfs/dbraw/zinc/26/93/95/845269395.db2.gz NJGMOUXHBGWYNP-HNNXBMFYSA-N 0 0 415.518 4.157 20 5 HIBDRN CCc1ccccc1NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C ZINC000007169443 845269540 /nfs/dbraw/zinc/26/95/40/845269540.db2.gz GOOFZRHGBSXSOU-UHFFFAOYSA-N 0 0 403.507 4.380 20 5 HIBDRN CC(=O)c1ccc(NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2C)cc1 ZINC000007168661 845269742 /nfs/dbraw/zinc/26/97/42/845269742.db2.gz DKGCCMNFLLWFGX-UHFFFAOYSA-N 0 0 417.490 4.020 20 5 HIBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000007182011 845274443 /nfs/dbraw/zinc/27/44/43/845274443.db2.gz OFTGUMASXJHWSA-UHFFFAOYSA-N 0 0 404.398 4.315 20 5 HIBDRN COc1ccc(OCCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000007257754 845297503 /nfs/dbraw/zinc/29/75/03/845297503.db2.gz CBWSOFVVDGAGPJ-UHFFFAOYSA-N 0 0 421.453 4.024 20 5 HIBDRN CC(=O)c1ccc(NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000007365695 845317239 /nfs/dbraw/zinc/31/72/39/845317239.db2.gz OKEMZYCLIFPMLK-UHFFFAOYSA-N 0 0 412.324 4.248 20 5 HIBDRN Cc1cc(C)cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000007440149 845333196 /nfs/dbraw/zinc/33/31/96/845333196.db2.gz DJSJECWGWFQUNS-GFCCVEGCSA-N 0 0 410.348 4.414 20 5 HIBDRN Cc1ccc(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000007439222 845333358 /nfs/dbraw/zinc/33/33/58/845333358.db2.gz RWRPUSPMLQIYTN-GFCCVEGCSA-N 0 0 410.348 4.414 20 5 HIBDRN C[C@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007503848 845348657 /nfs/dbraw/zinc/34/86/57/845348657.db2.gz LQTGJQIDOSFOIF-LBPRGKRZSA-N 0 0 415.377 4.246 20 5 HIBDRN C[C@@H](OC(=O)c1ccc2ccccc2c1O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007503896 845348868 /nfs/dbraw/zinc/34/88/68/845348868.db2.gz ICLYPCIYMVYFPX-GFCCVEGCSA-N 0 0 405.366 4.422 20 5 HIBDRN 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O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000024512466 846834100 /nfs/dbraw/zinc/83/41/00/846834100.db2.gz PWBKLZNJRYRQLV-UHFFFAOYSA-N 0 0 421.240 4.164 20 5 HIBDRN CSc1ccccc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000024772034 846865407 /nfs/dbraw/zinc/86/54/07/846865407.db2.gz FCNRBTPYTFRAIA-UHFFFAOYSA-N 0 0 414.361 4.131 20 5 HIBDRN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024796956 846868248 /nfs/dbraw/zinc/86/82/48/846868248.db2.gz YQBLUACRGFURMZ-AWEZNQCLSA-N 0 0 413.865 4.181 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000024912748 846888123 /nfs/dbraw/zinc/88/81/23/846888123.db2.gz JORYQGOLSOEWNQ-UHFFFAOYSA-N 0 0 414.468 4.034 20 5 HIBDRN Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000024933154 846892168 /nfs/dbraw/zinc/89/21/68/846892168.db2.gz QQYFCDQEUPAOJQ-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000024997877 846901800 /nfs/dbraw/zinc/90/18/00/846901800.db2.gz WZHJIUNZFAQAFX-CHWSQXEVSA-N 0 0 406.435 4.093 20 5 HIBDRN Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000024997886 846902121 /nfs/dbraw/zinc/90/21/21/846902121.db2.gz WZHJIUNZFAQAFX-STQMWFEESA-N 0 0 406.435 4.093 20 5 HIBDRN CC[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)Nc1ccc(OC)cc1 ZINC000025033649 846908665 /nfs/dbraw/zinc/90/86/65/846908665.db2.gz OUGOOAFFOKYBTR-INIZCTEOSA-N 0 0 414.439 4.392 20 5 HIBDRN Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000025374884 846970211 /nfs/dbraw/zinc/97/02/11/846970211.db2.gz BNOBWBAWPRVOOI-NSHDSACASA-N 0 0 402.403 4.441 20 5 HIBDRN Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000025375068 846970530 /nfs/dbraw/zinc/97/05/30/846970530.db2.gz JWYXTXKWICLTQX-AWEZNQCLSA-N 0 0 412.467 4.322 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)CCc1cc2ccccc2o1)c1ccccc1[N+](=O)[O-] ZINC000025386592 846971603 /nfs/dbraw/zinc/97/16/03/846971603.db2.gz 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Cc1ccc(NC(=O)[C@H](C)OC(=O)c2c(C)cccc2[N+](=O)[O-])c(Br)c1 ZINC000026122008 847091326 /nfs/dbraw/zinc/09/13/26/847091326.db2.gz UTZDVDUOLBFOAE-LBPRGKRZSA-N 0 0 421.247 4.158 20 5 HIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])C1(c2ccc(Br)cc2)CCC1 ZINC000026191062 847100263 /nfs/dbraw/zinc/10/02/63/847100263.db2.gz HPHVWBZVKZFECA-UHFFFAOYSA-N 0 0 418.291 4.007 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000026214294 847103696 /nfs/dbraw/zinc/10/36/96/847103696.db2.gz SZPMPPAXABBDSX-CYBMUJFWSA-N 0 0 406.280 4.125 20 5 HIBDRN Cn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Cl ZINC000026264890 847117658 /nfs/dbraw/zinc/11/76/58/847117658.db2.gz PFAVSSKQPJHTRN-UHFFFAOYSA-N 0 0 417.878 4.165 20 5 HIBDRN COc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026346440 847129353 /nfs/dbraw/zinc/12/93/53/847129353.db2.gz VZWHTZDFAMGPGM-JOCHJYFZSA-N 0 0 405.454 4.415 20 5 HIBDRN CN(CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026347723 847129900 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CC[C@@H](Nc1ccc(C(=O)N[C@@H](C)C(=O)OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000436442183 861803726 /nfs/dbraw/zinc/80/37/26/861803726.db2.gz NHRFPKBPCKDYRO-BLLLJJGKSA-N 0 0 419.865 4.103 20 5 HIBDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000029444490 847564975 /nfs/dbraw/zinc/56/49/75/847564975.db2.gz HQBAMJSJBYQENG-AWEZNQCLSA-N 0 0 416.449 4.408 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1SC(F)F ZINC000029473586 847568309 /nfs/dbraw/zinc/56/83/09/847568309.db2.gz FMTMSEJBIAXSAA-UHFFFAOYSA-N 0 0 423.397 4.236 20 5 HIBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 ZINC000029480332 847569580 /nfs/dbraw/zinc/56/95/80/847569580.db2.gz HSNKUTXHUMIVJL-UHFFFAOYSA-N 0 0 405.410 4.132 20 5 HIBDRN C[C@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000029509574 847572600 /nfs/dbraw/zinc/57/26/00/847572600.db2.gz FSOPMTJUJCUBCD-ZDUSSCGKSA-N 0 0 401.850 4.373 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(F)cc3Cl)CC2)c2ncccc12 ZINC000029618584 847590315 /nfs/dbraw/zinc/59/03/15/847590315.db2.gz PKBLSTSFPRGSNP-UHFFFAOYSA-N 0 0 400.841 4.258 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000029795839 847621896 /nfs/dbraw/zinc/62/18/96/847621896.db2.gz YJPFICYVJQFTKH-UHFFFAOYSA-N 0 0 414.748 4.279 20 5 HIBDRN CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000030278303 847697493 /nfs/dbraw/zinc/69/74/93/847697493.db2.gz PAAWTPIZKBUECO-INIZCTEOSA-N 0 0 424.501 4.281 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2ccc(OCC(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000030532149 847729846 /nfs/dbraw/zinc/72/98/46/847729846.db2.gz FVLGRGXPNZXQOB-UHFFFAOYSA-N 0 0 414.867 4.092 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](NCc1ccccc1)C(F)(F)F ZINC000436514621 861831339 /nfs/dbraw/zinc/83/13/39/861831339.db2.gz WRFFUORYSMLGGX-QGZVFWFLSA-N 0 0 410.396 4.054 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000031078937 847818753 /nfs/dbraw/zinc/81/87/53/847818753.db2.gz CDLZRMQGYDLBCF-HNNXBMFYSA-N 0 0 402.878 4.497 20 5 HIBDRN C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031212342 847844859 /nfs/dbraw/zinc/84/48/59/847844859.db2.gz YSPJFGCUPGPRBO-CYBMUJFWSA-N 0 0 408.285 4.421 20 5 HIBDRN Cc1sc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)nc(N)c2c1C ZINC000031823205 847955997 /nfs/dbraw/zinc/95/59/97/847955997.db2.gz FSQHFDQNKBIFJE-LLVKDONJSA-N 0 0 417.516 4.226 20 5 HIBDRN CC(C)n1c(=O)c2ccccc2nc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000031842712 847957721 /nfs/dbraw/zinc/95/77/21/847957721.db2.gz OSGQLGIKKKGNMK-UHFFFAOYSA-N 0 0 423.454 4.228 20 5 HIBDRN Cc1ccccc1-c1nnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1C ZINC000031843859 847957867 /nfs/dbraw/zinc/95/78/67/847957867.db2.gz DYROHNONZUXIHQ-UHFFFAOYSA-N 0 0 408.443 4.041 20 5 HIBDRN CSc1ccc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cc1[N+](=O)[O-] ZINC000031965894 847972683 /nfs/dbraw/zinc/97/26/83/847972683.db2.gz LVEFXSOKXSMJLP-UHFFFAOYSA-N 0 0 408.439 4.216 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1OC(C)C ZINC000032244593 847994674 /nfs/dbraw/zinc/99/46/74/847994674.db2.gz ROGIRMKJFAXJPJ-OAHLLOKOSA-N 0 0 424.457 4.067 20 5 HIBDRN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000032859386 848085124 /nfs/dbraw/zinc/08/51/24/848085124.db2.gz KKIHKMVGNFSVPQ-CQSZACIVSA-N 0 0 415.789 4.191 20 5 HIBDRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000032970726 848097447 /nfs/dbraw/zinc/09/74/47/848097447.db2.gz JNSJEEHVTUPJDP-UHFFFAOYSA-N 0 0 413.437 4.229 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000032981990 848097671 /nfs/dbraw/zinc/09/76/71/848097671.db2.gz KSQLETPNPNXIAQ-SFHVURJKSA-N 0 0 419.466 4.368 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 ZINC000033149855 848114066 /nfs/dbraw/zinc/11/40/66/848114066.db2.gz MCXPOEWPDPBKKA-UHFFFAOYSA-N 0 0 421.438 4.165 20 5 HIBDRN Cc1c(NC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000436608793 861868411 /nfs/dbraw/zinc/86/84/11/861868411.db2.gz PUNAQHJFDMZACW-HXUWFJFHSA-N 0 0 419.437 4.109 20 5 HIBDRN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000033224247 848128548 /nfs/dbraw/zinc/12/85/48/848128548.db2.gz LVFNELUOLHDIFI-OAHLLOKOSA-N 0 0 414.874 4.401 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000035605412 848144647 /nfs/dbraw/zinc/14/46/47/848144647.db2.gz UXEATQFTFCCNNY-SECBINFHSA-N 0 0 413.213 4.094 20 5 HIBDRN CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000036772335 848161791 /nfs/dbraw/zinc/16/17/91/848161791.db2.gz JYXSPEJHCJMBDG-GFCCVEGCSA-N 0 0 418.833 4.415 20 5 HIBDRN CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000036772336 848161865 /nfs/dbraw/zinc/16/18/65/848161865.db2.gz JYXSPEJHCJMBDG-LBPRGKRZSA-N 0 0 418.833 4.415 20 5 HIBDRN COc1ccccc1N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000036811091 848165618 /nfs/dbraw/zinc/16/56/18/848165618.db2.gz IMLMHYLNLMJUIX-UHFFFAOYSA-N 0 0 416.430 4.138 20 5 HIBDRN Cc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000036858336 848169931 /nfs/dbraw/zinc/16/99/31/848169931.db2.gz HQIWKQRGYWGRCQ-GFCCVEGCSA-N 0 0 417.878 4.257 20 5 HIBDRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1cccs1 ZINC000036859567 848171016 /nfs/dbraw/zinc/17/10/16/848171016.db2.gz CRZVLHCBDBXQGM-UHFFFAOYSA-N 0 0 423.907 4.319 20 5 HIBDRN CCC(CC)CN(CC)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000037989433 848175697 /nfs/dbraw/zinc/17/56/97/848175697.db2.gz YDGLRNCUOBEOIC-UHFFFAOYSA-N 0 0 404.248 4.098 20 5 HIBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000040868698 848199483 /nfs/dbraw/zinc/19/94/83/848199483.db2.gz ATCCSUDRXGYKMA-UHFFFAOYSA-N 0 0 421.796 4.301 20 5 HIBDRN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000041400532 848212619 /nfs/dbraw/zinc/21/26/19/848212619.db2.gz JKMWMRCQLJDPBU-SFHVURJKSA-N 0 0 408.285 4.469 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(F)c1 ZINC000042097016 848285893 /nfs/dbraw/zinc/28/58/93/848285893.db2.gz GWSGRTITBHZGIF-LLVKDONJSA-N 0 0 409.343 4.179 20 5 HIBDRN COC(=O)c1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000042641191 848337212 /nfs/dbraw/zinc/33/72/12/848337212.db2.gz YWBLCTKQXLFFAK-UHFFFAOYSA-N 0 0 414.361 4.131 20 5 HIBDRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000042731324 848348375 /nfs/dbraw/zinc/34/83/75/848348375.db2.gz JLLCOHNAQNVCJM-UHFFFAOYSA-N 0 0 416.840 4.482 20 5 HIBDRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042847772 848358894 /nfs/dbraw/zinc/35/88/94/848358894.db2.gz OTXHIZILKZBRHZ-UHFFFAOYSA-N 0 0 404.785 4.399 20 5 HIBDRN COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1OC(F)F ZINC000042918510 848365588 /nfs/dbraw/zinc/36/55/88/848365588.db2.gz JQVBCJRWBHJXEK-UHFFFAOYSA-N 0 0 404.272 4.059 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000043149532 848390687 /nfs/dbraw/zinc/39/06/87/848390687.db2.gz KNBCLKMVVKKRGW-UHFFFAOYSA-N 0 0 402.882 4.296 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000043342930 848412208 /nfs/dbraw/zinc/41/22/08/848412208.db2.gz BWDIOVACGGQYBV-INIZCTEOSA-N 0 0 403.822 4.388 20 5 HIBDRN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1C(F)(F)F ZINC000043643408 848445694 /nfs/dbraw/zinc/44/56/94/848445694.db2.gz ULMUGBSNCPHITE-UHFFFAOYSA-N 0 0 401.772 4.338 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000043727495 848453688 /nfs/dbraw/zinc/45/36/88/848453688.db2.gz MVBSNEFKHHQYSC-GFCCVEGCSA-N 0 0 410.442 4.334 20 5 HIBDRN CCCOc1cc(NC(=O)Nc2c(C)nn(C)c2C)c([N+](=O)[O-])cc1OCCC ZINC000043878473 848485117 /nfs/dbraw/zinc/48/51/17/848485117.db2.gz QOHOKMYSCGUPNI-UHFFFAOYSA-N 0 0 405.455 4.167 20 5 HIBDRN Cc1ncc(-c2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)o1 ZINC000043965797 848496922 /nfs/dbraw/zinc/49/69/22/848496922.db2.gz DAENYVBJCGJENE-UHFFFAOYSA-N 0 0 406.442 4.413 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nnco4)cc3)cc2[N+](=O)[O-])CC1 ZINC000044575090 848572977 /nfs/dbraw/zinc/57/29/77/848572977.db2.gz TVFOMAHDFJALOL-UHFFFAOYSA-N 0 0 407.430 4.133 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1OC1CCCC1 ZINC000044636031 848585344 /nfs/dbraw/zinc/58/53/44/848585344.db2.gz ARQRRCJEDMJLQG-OAHLLOKOSA-N 0 0 414.458 4.181 20 5 HIBDRN CCC(=O)Nc1ccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000044794164 848604905 /nfs/dbraw/zinc/60/49/05/848604905.db2.gz JEEKRVFOOGWYOM-HNNXBMFYSA-N 0 0 410.474 4.432 20 5 HIBDRN Cc1sc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-] ZINC000045143605 848637610 /nfs/dbraw/zinc/63/76/10/848637610.db2.gz QPGNBGFVQLVCCS-UHFFFAOYSA-N 0 0 400.416 4.132 20 5 HIBDRN CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 ZINC000045198329 848647166 /nfs/dbraw/zinc/64/71/66/848647166.db2.gz MRUUKPKJCROPSC-UHFFFAOYSA-N 0 0 416.821 4.268 20 5 HIBDRN CCOc1ccc(-c2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000045312917 848663181 /nfs/dbraw/zinc/66/31/81/848663181.db2.gz PLJPXHUCNHTNSI-UHFFFAOYSA-N 0 0 404.469 4.091 20 5 HIBDRN COC(=O)c1cc(C(=O)N([C@H](C)c2ccc(Cl)cc2)C2CC2)cc([N+](=O)[O-])c1 ZINC000045397346 848673758 /nfs/dbraw/zinc/67/37/58/848673758.db2.gz XWJIPQKSPSIZNA-GFCCVEGCSA-N 0 0 402.834 4.401 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCSCc1ccccc1F ZINC000045749028 848721744 /nfs/dbraw/zinc/72/17/44/848721744.db2.gz CSYKLRLDUGSPBC-UHFFFAOYSA-N 0 0 420.509 4.343 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1cccs1 ZINC000045825661 848735647 /nfs/dbraw/zinc/73/56/47/848735647.db2.gz JWMLUQYNILPOBN-UHFFFAOYSA-N 0 0 408.439 4.278 20 5 HIBDRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046136219 848789208 /nfs/dbraw/zinc/78/92/08/848789208.db2.gz FPXNQZMHBAXLTL-UHFFFAOYSA-N 0 0 412.877 4.218 20 5 HIBDRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000046275884 848815792 /nfs/dbraw/zinc/81/57/92/848815792.db2.gz KEJUFRPRSJDBNF-INIZCTEOSA-N 0 0 408.241 4.145 20 5 HIBDRN CCCCOc1ccc([C@H](C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC ZINC000046337726 848825680 /nfs/dbraw/zinc/82/56/80/848825680.db2.gz WGLJUIGQAVAAEA-ZDUSSCGKSA-N 0 0 416.430 4.002 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(Br)ccc2C)cc([N+](=O)[O-])c1 ZINC000046373559 848835395 /nfs/dbraw/zinc/83/53/95/848835395.db2.gz FCDNGBZORCEDRQ-UHFFFAOYSA-N 0 0 407.220 4.095 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])ccc1OC(C)C ZINC000046579718 848878219 /nfs/dbraw/zinc/87/82/19/848878219.db2.gz WNVDDMSWBFHHIB-MRXNPFEDSA-N 0 0 416.474 4.345 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(Cn4cccn4)c3)cc2[N+](=O)[O-])C1 ZINC000046607208 848884389 /nfs/dbraw/zinc/88/43/89/848884389.db2.gz LWLYRPIWJYSORU-KRWDZBQOSA-N 0 0 419.485 4.328 20 5 HIBDRN COc1cc([C@H](C)NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000046670536 848903760 /nfs/dbraw/zinc/90/37/60/848903760.db2.gz NUWOPXCEDURJFM-HNNXBMFYSA-N 0 0 401.463 4.293 20 5 HIBDRN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC000046674759 848906185 /nfs/dbraw/zinc/90/61/85/848906185.db2.gz KGJHOTYFAQDFPJ-IBGZPJMESA-N 0 0 419.485 4.450 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000046775477 848932399 /nfs/dbraw/zinc/93/23/99/848932399.db2.gz LZAYAFIAPGCGSU-INIZCTEOSA-N 0 0 421.453 4.459 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000046801118 848936684 /nfs/dbraw/zinc/93/66/84/848936684.db2.gz UIPGBHHPAQLOAP-UHFFFAOYSA-N 0 0 408.785 4.088 20 5 HIBDRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000047225465 849007120 /nfs/dbraw/zinc/00/71/20/849007120.db2.gz WOHOBVSPZFRBDR-UHFFFAOYSA-N 0 0 417.849 4.135 20 5 HIBDRN Cc1sc2ncnc(SCCC(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2c1C ZINC000047305623 849022747 /nfs/dbraw/zinc/02/27/47/849022747.db2.gz WFBKPPPMWLESFN-UHFFFAOYSA-N 0 0 416.528 4.357 20 5 HIBDRN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2csc(C3CCCCC3)n2)C1=O ZINC000047357257 849031733 /nfs/dbraw/zinc/03/17/33/849031733.db2.gz TXBOCOVBLCPZBD-FQEVSTJZSA-N 0 0 414.487 4.066 20 5 HIBDRN COc1ccc(Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)cc1[N+](=O)[O-] ZINC000047368739 849033452 /nfs/dbraw/zinc/03/34/52/849033452.db2.gz YZOKGHULQCKGIJ-UHFFFAOYSA-N 0 0 407.451 4.399 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1F ZINC000047771570 849110225 /nfs/dbraw/zinc/11/02/25/849110225.db2.gz PYHXKQLPWXDFJB-SNVBAGLBSA-N 0 0 416.327 4.175 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCCCc4ccccc43)cc2)c(C)c1[N+](=O)[O-] ZINC000047975621 849145728 /nfs/dbraw/zinc/14/57/28/849145728.db2.gz FRIXCGHYFRPCBO-UHFFFAOYSA-N 0 0 404.470 4.440 20 5 HIBDRN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1cn2ccccc2n1 ZINC000048206168 849190138 /nfs/dbraw/zinc/19/01/38/849190138.db2.gz NQXPKCVEAGWHRS-UHFFFAOYSA-N 0 0 418.409 4.082 20 5 HIBDRN 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O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC000057034783 850535840 /nfs/dbraw/zinc/53/58/40/850535840.db2.gz JWWYVMDNDZQNBT-HXUWFJFHSA-N 0 0 417.425 4.282 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000057281904 850599947 /nfs/dbraw/zinc/59/99/47/850599947.db2.gz JQNMWAJOBIZMJK-MRXNPFEDSA-N 0 0 416.437 4.313 20 5 HIBDRN COc1cc(-c2noc(CNc3cccc([N+](=O)[O-])c3C)n2)ccc1OC(F)F ZINC000058029564 850754784 /nfs/dbraw/zinc/75/47/84/850754784.db2.gz SZSRMWSSGDFXOG-UHFFFAOYSA-N 0 0 406.345 4.175 20 5 HIBDRN COc1cc(OCC(=O)N(C)c2ccc(Oc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000058298293 850796300 /nfs/dbraw/zinc/79/63/00/850796300.db2.gz KPKUWGYQFJEKTL-UHFFFAOYSA-N 0 0 408.410 4.438 20 5 HIBDRN C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058313561 850799166 /nfs/dbraw/zinc/79/91/66/850799166.db2.gz GGHTYGOCQUBMPC-LLVKDONJSA-N 0 0 402.248 4.200 20 5 HIBDRN O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 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PQVBYYLHTCEFIK-UHFFFAOYSA-N 0 0 417.465 4.401 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000437031182 862217272 /nfs/dbraw/zinc/21/72/72/862217272.db2.gz HIBRUASEYFWYOT-OAHLLOKOSA-N 0 0 408.376 4.293 20 5 HIBDRN COc1ccc2cc([C@]3(C)NC(=O)N(Cc4cccc([N+](=O)[O-])c4C)C3=O)ccc2c1 ZINC000060802803 851217142 /nfs/dbraw/zinc/21/71/42/851217142.db2.gz XSBUSLWPYRXALM-QHCPKHFHSA-N 0 0 419.437 4.032 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000060805880 851218191 /nfs/dbraw/zinc/21/81/91/851218191.db2.gz RYMCFSFROQBRQY-UHFFFAOYSA-N 0 0 407.378 4.435 20 5 HIBDRN Cc1cc(NCc2ccc(OCC(F)(F)F)nc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060859129 851233726 /nfs/dbraw/zinc/23/37/26/851233726.db2.gz FDNBLTKZAPPVNU-UHFFFAOYSA-N 0 0 419.363 4.308 20 5 HIBDRN COc1ccc(Br)c(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000060859557 851234057 /nfs/dbraw/zinc/23/40/57/851234057.db2.gz WCIMOANWQUFYOY-UHFFFAOYSA-N 0 0 417.219 4.008 20 5 HIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCCOc1cccc2ccccc21 ZINC000060875487 851238001 /nfs/dbraw/zinc/23/80/01/851238001.db2.gz PXWVNFBWWXRNSA-UHFFFAOYSA-N 0 0 401.422 4.441 20 5 HIBDRN O=C(NCc1ccc(OC(F)F)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000061023405 851276237 /nfs/dbraw/zinc/27/62/37/851276237.db2.gz LAQDOSBBLJIWPJ-UHFFFAOYSA-N 0 0 420.290 4.067 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNCc2nnc3ccccn32)cc1 ZINC000061029234 851278100 /nfs/dbraw/zinc/27/81/00/851278100.db2.gz MTGZNFYJJZFZDH-UHFFFAOYSA-N 0 0 409.833 4.373 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)NCCCOC2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000061254346 851330697 /nfs/dbraw/zinc/33/06/97/851330697.db2.gz HLNCVZCWYKUFAU-MRXNPFEDSA-N 0 0 412.490 4.242 20 5 HIBDRN Cc1nc(C)n(Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2)n1 ZINC000437049733 862242364 /nfs/dbraw/zinc/24/23/64/862242364.db2.gz YZABPQYEGIXBSR-UHFFFAOYSA-N 0 0 419.363 4.123 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000437070161 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408.458 4.096 20 5 HIBDRN COc1cc(NC(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(OC)cc1Cl ZINC000064350144 851876796 /nfs/dbraw/zinc/87/67/96/851876796.db2.gz RVCVXAOVMCWKNR-UHFFFAOYSA-N 0 0 421.881 4.115 20 5 HIBDRN CC(C)N(CC(=O)Nc1ccccc1Br)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350487 851877859 /nfs/dbraw/zinc/87/78/59/851877859.db2.gz KXOLXNDQGGMLNL-UHFFFAOYSA-N 0 0 406.280 4.206 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCCOc1ccc(F)cc1 ZINC000064419902 851893729 /nfs/dbraw/zinc/89/37/29/851893729.db2.gz OXZAEVDTLFXJGR-CYBMUJFWSA-N 0 0 410.829 4.130 20 5 HIBDRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000064421320 851893793 /nfs/dbraw/zinc/89/37/93/851893793.db2.gz KPVHGYCXYSWTQM-DOMZBBRYSA-N 0 0 420.849 4.054 20 5 HIBDRN CC(=O)Nc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(C(F)(F)F)c1 ZINC000437112452 862299677 /nfs/dbraw/zinc/29/96/77/862299677.db2.gz UPTQWRTZLOEZFA-UHFFFAOYSA-N 0 0 421.375 4.377 20 5 HIBDRN CC(C)c1nc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)nn1-c1ccccc1F ZINC000437113175 862299940 /nfs/dbraw/zinc/29/99/40/862299940.db2.gz JMFCAEARBVRJKO-UHFFFAOYSA-N 0 0 423.448 4.243 20 5 HIBDRN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437115204 862302519 /nfs/dbraw/zinc/30/25/19/862302519.db2.gz LBSFBTNRMWJPOP-NRFANRHFSA-N 0 0 410.449 4.259 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(Br)c1 ZINC000064723906 851968824 /nfs/dbraw/zinc/96/88/24/851968824.db2.gz QHLUYTMKZJOOFM-JTQLQIEISA-N 0 0 413.655 4.094 20 5 HIBDRN O=C(c1cccc(-c2noc(C3CC3)n2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437118972 862305543 /nfs/dbraw/zinc/30/55/43/862305543.db2.gz OVYRWSCNWLLEAU-UHFFFAOYSA-N 0 0 404.426 4.327 20 5 HIBDRN CCCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437119046 862305976 /nfs/dbraw/zinc/30/59/76/862305976.db2.gz TZDMYBIXTULVSS-UHFFFAOYSA-N 0 0 420.469 4.374 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1OCCOc1ccccc1 ZINC000064778187 851982789 /nfs/dbraw/zinc/98/27/89/851982789.db2.gz NTLIIPJEXGLJCG-UHFFFAOYSA-N 0 0 406.438 4.025 20 5 HIBDRN COc1ccc2ccccc2c1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000064822103 851992608 /nfs/dbraw/zinc/99/26/08/851992608.db2.gz NPAUGNPJODXWQF-UHFFFAOYSA-N 0 0 416.437 4.087 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2)no1 ZINC000064823713 851993448 /nfs/dbraw/zinc/99/34/48/851993448.db2.gz RIUZANOHOCUWNU-JTQLQIEISA-N 0 0 402.794 4.013 20 5 HIBDRN C[C@@H]1CN(c2ccccc2NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000064836059 852000610 /nfs/dbraw/zinc/00/06/10/852000610.db2.gz AWRWQOVGMVDSEK-IAGOWNOFSA-N 0 0 412.490 4.039 20 5 HIBDRN CCOc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c(C(F)(F)F)c1 ZINC000064849036 852004353 /nfs/dbraw/zinc/00/43/53/852004353.db2.gz PZESQHWYUHSPRM-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN CCc1cc(NCCc2cc(F)cc3c2OCOC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064914192 852019894 /nfs/dbraw/zinc/01/98/94/852019894.db2.gz ZDWNVTKRQIGMSC-UHFFFAOYSA-N 0 0 424.432 4.274 20 5 HIBDRN CNC(=O)c1ccc(N[C@@H](C)CCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000064915577 852020620 /nfs/dbraw/zinc/02/06/20/852020620.db2.gz GFXUHYUPOCAOHL-LBPRGKRZSA-N 0 0 406.280 4.150 20 5 HIBDRN O=C(Nc1cccnc1N1CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064934543 852023700 /nfs/dbraw/zinc/02/37/00/852023700.db2.gz GCZSPODMZVLGAK-UHFFFAOYSA-N 0 0 409.471 4.356 20 5 HIBDRN Cc1ccc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)cc1[N+](=O)[O-] ZINC000065094681 852062395 /nfs/dbraw/zinc/06/23/95/852062395.db2.gz SBUJGHSGKFPTIW-UHFFFAOYSA-N 0 0 401.220 4.308 20 5 HIBDRN Cc1[nH]c2ccc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2c1C ZINC000065109382 852068780 /nfs/dbraw/zinc/06/87/80/852068780.db2.gz NENHIZZELNCULC-ZDUSSCGKSA-N 0 0 401.850 4.430 20 5 HIBDRN COc1cc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c([N+](=O)[O-])cc1OC(F)F ZINC000065119026 852069710 /nfs/dbraw/zinc/06/97/10/852069710.db2.gz FKTIVEIZTBAQIV-UHFFFAOYSA-N 0 0 419.384 4.233 20 5 HIBDRN CCc1cc(NC2CCN(CC(F)(F)F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065200202 852086168 /nfs/dbraw/zinc/08/61/68/852086168.db2.gz DVQHSWRNLAVUIM-UHFFFAOYSA-N 0 0 409.412 4.053 20 5 HIBDRN Cc1cc(C(=O)NC2CCCC2)ccc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000065277098 852097516 /nfs/dbraw/zinc/09/75/16/852097516.db2.gz OKYBJVNPWUGSFP-UHFFFAOYSA-N 0 0 421.457 4.238 20 5 HIBDRN C[C@H](NC(=O)NCCc1cc(Br)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000065436384 852131750 /nfs/dbraw/zinc/13/17/50/852131750.db2.gz HFNCUCFBRBWFDZ-NSHDSACASA-N 0 0 410.243 4.099 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H](C)Cc2ccccc2F)c([N+](=O)[O-])cc1OCC ZINC000065439500 852134159 /nfs/dbraw/zinc/13/41/59/852134159.db2.gz ANIPLNDJVYRUES-ZDUSSCGKSA-N 0 0 405.426 4.284 20 5 HIBDRN COC(=O)c1cc2cc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc2o1 ZINC000437134047 862325707 /nfs/dbraw/zinc/32/57/07/862325707.db2.gz CSYKBPCHOFLUPK-UHFFFAOYSA-N 0 0 408.288 4.399 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(COc2ccccc2)c1 ZINC000065510473 852161214 /nfs/dbraw/zinc/16/12/14/852161214.db2.gz RJPARDAFVKNSGS-UHFFFAOYSA-N 0 0 405.454 4.216 20 5 HIBDRN COc1ccc([C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000065511099 852162166 /nfs/dbraw/zinc/16/21/66/852162166.db2.gz ZKKRAESPBFMDLK-JOCHJYFZSA-N 0 0 405.454 4.235 20 5 HIBDRN C[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000065586279 852192390 /nfs/dbraw/zinc/19/23/90/852192390.db2.gz OIACRAAKWZIMOO-SNVBAGLBSA-N 0 0 401.772 4.384 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1ccccc1OCc1ccccc1 ZINC000065734900 852238745 /nfs/dbraw/zinc/23/87/45/852238745.db2.gz MMGFNSKKSNAUAD-UHFFFAOYSA-N 0 0 415.449 4.445 20 5 HIBDRN CCC(=O)Nc1ccc(Cl)c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000065734371 852238891 /nfs/dbraw/zinc/23/88/91/852238891.db2.gz GNWPRMUYJBLQRM-UHFFFAOYSA-N 0 0 400.822 4.190 20 5 HIBDRN Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065736483 852240179 /nfs/dbraw/zinc/24/01/79/852240179.db2.gz LVCLVENZONNWLS-NRFANRHFSA-N 0 0 417.469 4.190 20 5 HIBDRN O=C(Nc1ccc(Oc2ccccc2)nc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000065750704 852244103 /nfs/dbraw/zinc/24/41/03/852244103.db2.gz DGWVUZSSEMVOGG-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN COc1ccccc1N(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000065796622 852258542 /nfs/dbraw/zinc/25/85/42/852258542.db2.gz ZOKNMWXSBLCQQK-HNNXBMFYSA-N 0 0 406.442 4.448 20 5 HIBDRN O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000065843567 852281759 /nfs/dbraw/zinc/28/17/59/852281759.db2.gz HKHWHWBVERSXMN-UHFFFAOYSA-N 0 0 422.485 4.484 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000065868212 852292383 /nfs/dbraw/zinc/29/23/83/852292383.db2.gz GVXPTUFNUCZKHX-OAHLLOKOSA-N 0 0 413.474 4.214 20 5 HIBDRN CCCCc1nc2cc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000065904075 852310186 /nfs/dbraw/zinc/31/01/86/852310186.db2.gz DOOHJCPRQRESFP-UHFFFAOYSA-N 0 0 404.430 4.252 20 5 HIBDRN CCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000066028038 852357821 /nfs/dbraw/zinc/35/78/21/852357821.db2.gz VAMYLCBPCORYBB-UHFFFAOYSA-N 0 0 414.336 4.038 20 5 HIBDRN COc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000066031236 852358972 /nfs/dbraw/zinc/35/89/72/852358972.db2.gz IAHKFBNGIZVUBL-UHFFFAOYSA-N 0 0 411.458 4.052 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000066035217 852359649 /nfs/dbraw/zinc/35/96/49/852359649.db2.gz DRGCNFIPVQFHLP-CQSZACIVSA-N 0 0 410.474 4.258 20 5 HIBDRN COc1cccc(NC(=O)c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000068728102 852369040 /nfs/dbraw/zinc/36/90/40/852369040.db2.gz MPWQZQPQJBKAAT-UHFFFAOYSA-N 0 0 405.410 4.037 20 5 HIBDRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000069109737 852384261 /nfs/dbraw/zinc/38/42/61/852384261.db2.gz BZZAKSAYVGYKCN-CYBMUJFWSA-N 0 0 424.844 4.387 20 5 HIBDRN O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437160399 862353505 /nfs/dbraw/zinc/35/35/05/862353505.db2.gz MJFGBBUWOPKGKY-UHFFFAOYSA-N 0 0 421.375 4.282 20 5 HIBDRN Cc1ccc(-c2csc3ncn(CC(=O)c4cccc([N+](=O)[O-])c4)c(=O)c23)cc1 ZINC000071434051 852405871 /nfs/dbraw/zinc/40/58/71/852405871.db2.gz RGYQUOZQJSZDCF-UHFFFAOYSA-N 0 0 405.435 4.225 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000071840342 852415658 /nfs/dbraw/zinc/41/56/58/852415658.db2.gz MHKBWDNVSCCLHQ-FQEVSTJZSA-N 0 0 404.488 4.051 20 5 HIBDRN Cc1c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000071852795 852420044 /nfs/dbraw/zinc/42/00/44/852420044.db2.gz CURGJQBNXNONPE-UHFFFAOYSA-N 0 0 411.421 4.307 20 5 HIBDRN Cc1cc(C(=O)NC2CCCCC2)ccc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000071983501 852454673 /nfs/dbraw/zinc/45/46/73/852454673.db2.gz JLSLFPPVTDFKNW-UHFFFAOYSA-N 0 0 424.501 4.325 20 5 HIBDRN CCc1cc(NCc2ccc(N3CCCC3=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000072018774 852469247 /nfs/dbraw/zinc/46/92/47/852469247.db2.gz PNLAJGHAJYJRGY-UHFFFAOYSA-N 0 0 417.469 4.353 20 5 HIBDRN O=C(CN(Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072050103 852486777 /nfs/dbraw/zinc/48/67/77/852486777.db2.gz LNVMAGWSFRTCNC-QGZVFWFLSA-N 0 0 421.856 4.007 20 5 HIBDRN CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000072067396 852493679 /nfs/dbraw/zinc/49/36/79/852493679.db2.gz WIRVLSSGHZBRMX-NRFANRHFSA-N 0 0 424.501 4.122 20 5 HIBDRN COc1ccc(C(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000072081413 852499992 /nfs/dbraw/zinc/49/99/92/852499992.db2.gz ZRDNMHBDYNNTMO-UHFFFAOYSA-N 0 0 412.364 4.339 20 5 HIBDRN COc1ccc(-c2nc(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)cs2)cc1OC ZINC000072086011 852502262 /nfs/dbraw/zinc/50/22/62/852502262.db2.gz DYAZYYYLDOAIDY-UHFFFAOYSA-N 0 0 423.454 4.042 20 5 HIBDRN CSCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000072091590 852505175 /nfs/dbraw/zinc/50/51/75/852505175.db2.gz XRZOITXXVGCREE-LJQANCHMSA-N 0 0 413.499 4.010 20 5 HIBDRN COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000072110690 852510335 /nfs/dbraw/zinc/51/03/35/852510335.db2.gz GBPZHFKMTXEBJX-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)c1 ZINC000078671315 852525091 /nfs/dbraw/zinc/52/50/91/852525091.db2.gz NUGYGYDKARQWMK-UHFFFAOYSA-N 0 0 400.485 4.320 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000078719816 852527211 /nfs/dbraw/zinc/52/72/11/852527211.db2.gz IBIXSWBPVJCBKY-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(Nc1cc(Br)ccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000078719760 852527281 /nfs/dbraw/zinc/52/72/81/852527281.db2.gz DVTMUVZNXAEPPZ-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN O=C(Nc1cccc(Oc2ccncc2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000078991940 852537400 /nfs/dbraw/zinc/53/74/00/852537400.db2.gz OWXLJFTVOMPDIX-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Br ZINC000097308895 852600618 /nfs/dbraw/zinc/60/06/18/852600618.db2.gz OHQKCFQPVPSUJI-UHFFFAOYSA-N 0 0 419.279 4.020 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(OCc2cccc(F)c2)cc1C ZINC000097542677 852623437 /nfs/dbraw/zinc/62/34/37/852623437.db2.gz OHPRLIJYEHTDRH-UHFFFAOYSA-N 0 0 412.421 4.155 20 5 HIBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)c(Cl)c1 ZINC000097570231 852632300 /nfs/dbraw/zinc/63/23/00/852632300.db2.gz CWCZLOTWNBIEHO-UHFFFAOYSA-N 0 0 411.741 4.056 20 5 HIBDRN Cc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)ccc1[N+](=O)[O-] ZINC000097572857 852633395 /nfs/dbraw/zinc/63/33/95/852633395.db2.gz UUYJWJUXYHTNHH-UHFFFAOYSA-N 0 0 420.424 4.308 20 5 HIBDRN CCn1c(SCc2nnc(-c3ccccc3[N+](=O)[O-])o2)nnc1-c1ccccc1 ZINC000104976456 852685424 /nfs/dbraw/zinc/68/54/24/852685424.db2.gz SSCYAKALYXBLMY-UHFFFAOYSA-N 0 0 408.443 4.216 20 5 HIBDRN O=C(NC1CC1)c1ccc(N2CCC[C@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000105436231 852705590 /nfs/dbraw/zinc/70/55/90/852705590.db2.gz QWNLYNYKGDNHJV-KRWDZBQOSA-N 0 0 408.483 4.438 20 5 HIBDRN COc1ccc(SCCC(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000105511718 852709335 /nfs/dbraw/zinc/70/93/35/852709335.db2.gz CJNHNKLMJRKGCO-UHFFFAOYSA-N 0 0 412.471 4.218 20 5 HIBDRN Cc1cc(NC(=O)Cc2ccc(Br)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105527796 852710245 /nfs/dbraw/zinc/71/02/45/852710245.db2.gz QFEGQGAOTLHPAM-UHFFFAOYSA-N 0 0 415.247 4.033 20 5 HIBDRN Cc1ccc(-n2ncc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c2C(C)C)cc1 ZINC000105977552 852742893 /nfs/dbraw/zinc/74/28/93/852742893.db2.gz DXBIWHAEVJRDOH-UHFFFAOYSA-N 0 0 407.474 4.054 20 5 HIBDRN O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000106192486 852761031 /nfs/dbraw/zinc/76/10/31/852761031.db2.gz QJQORDAPHADHQB-UHFFFAOYSA-N 0 0 412.858 4.054 20 5 HIBDRN CCC(C)(C)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000106894546 852771313 /nfs/dbraw/zinc/77/13/13/852771313.db2.gz VLFUKULKECFLJZ-UHFFFAOYSA-N 0 0 403.523 4.156 20 5 HIBDRN O=C(Nc1ccccc1)c1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000107699064 852787333 /nfs/dbraw/zinc/78/73/33/852787333.db2.gz BDMQWSLTEFNPCL-UHFFFAOYSA-N 0 0 416.481 4.169 20 5 HIBDRN Cn1c(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc(Cl)c1Cl ZINC000107797706 852798878 /nfs/dbraw/zinc/79/88/78/852798878.db2.gz XODSWBGNDLGLCW-UHFFFAOYSA-N 0 0 410.179 4.445 20 5 HIBDRN CCOc1ccc([C@@H]2C[C@H]2NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000437204784 862394972 /nfs/dbraw/zinc/39/49/72/862394972.db2.gz ZNUOLVIKNAALOB-DLBZAZTESA-N 0 0 404.850 4.088 20 5 HIBDRN COc1ccc(C(=O)NCCc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000107901256 852807808 /nfs/dbraw/zinc/80/78/08/852807808.db2.gz JDHCBAGISPWSKC-UHFFFAOYSA-N 0 0 406.438 4.155 20 5 HIBDRN Cc1ccc(OCCCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000107961997 852812305 /nfs/dbraw/zinc/81/23/05/852812305.db2.gz WGMRPEHSCYXZDC-UHFFFAOYSA-N 0 0 411.502 4.483 20 5 HIBDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000107999359 852815618 /nfs/dbraw/zinc/81/56/18/852815618.db2.gz OPCGXUQISGGXSL-ZDUSSCGKSA-N 0 0 405.414 4.030 20 5 HIBDRN Cc1cccc(-n2ccnc2SCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000108153177 852825680 /nfs/dbraw/zinc/82/56/80/852825680.db2.gz JOMWGCTXOVYRAB-INIZCTEOSA-N 0 0 410.499 4.367 20 5 HIBDRN COCCOc1cccc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000108210452 852829267 /nfs/dbraw/zinc/82/92/67/852829267.db2.gz JIWFUODKKHWOTI-UHFFFAOYSA-N 0 0 421.453 4.294 20 5 HIBDRN CCOc1c(Br)cc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000108286471 852836205 /nfs/dbraw/zinc/83/62/05/852836205.db2.gz PIJIXZWYJWFQCN-NSHDSACASA-N 0 0 423.263 4.256 20 5 HIBDRN O=C(Nc1ccc(F)c(Br)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000437209664 862398973 /nfs/dbraw/zinc/39/89/73/862398973.db2.gz PPVBKQFGFDOZDX-UHFFFAOYSA-N 0 0 408.227 4.349 20 5 HIBDRN Cc1cc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000108529147 852856737 /nfs/dbraw/zinc/85/67/37/852856737.db2.gz UZROEGGBBKUUAJ-UHFFFAOYSA-N 0 0 421.419 4.316 20 5 HIBDRN O=C(NCCN1CCc2sccc2C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000108817022 852882350 /nfs/dbraw/zinc/88/23/50/852882350.db2.gz LKAWHEQQVLVZOI-UHFFFAOYSA-N 0 0 423.494 4.237 20 5 HIBDRN CCc1cc(NCc2ccc(Cn3cccn3)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108854257 852885998 /nfs/dbraw/zinc/88/59/98/852885998.db2.gz UPPMLBNRQGWYIC-UHFFFAOYSA-N 0 0 414.469 4.471 20 5 HIBDRN CCCN(C(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000108952208 852897666 /nfs/dbraw/zinc/89/76/66/852897666.db2.gz IIPXIAHXJVZPIL-GOSISDBHSA-N 0 0 412.486 4.412 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@H](CC)c2nc(-c3ccccc3)c[nH]2)cc([N+](=O)[O-])c1 ZINC000109006500 852907183 /nfs/dbraw/zinc/90/71/83/852907183.db2.gz WHXXDDKLSPTKLG-GOSISDBHSA-N 0 0 422.441 4.043 20 5 HIBDRN Cc1cc(C(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000109144318 852926744 /nfs/dbraw/zinc/92/67/44/852926744.db2.gz WKQJQHQBYUUDGK-NRFANRHFSA-N 0 0 400.438 4.309 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CCN(c3ccc(Cl)cn3)CC2)c([N+](=O)[O-])c1 ZINC000109259393 852944133 /nfs/dbraw/zinc/94/41/33/852944133.db2.gz CFAMCVWOFIHHKC-UHFFFAOYSA-N 0 0 422.872 4.201 20 5 HIBDRN COc1ccccc1-c1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n[nH]1 ZINC000109410836 852966691 /nfs/dbraw/zinc/96/66/91/852966691.db2.gz WUTWDPSKHREJRG-UHFFFAOYSA-N 0 0 424.460 4.192 20 5 HIBDRN O=C(CN(Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000109572625 852987141 /nfs/dbraw/zinc/98/71/41/852987141.db2.gz NRKIXVXLBKSMBQ-KRWDZBQOSA-N 0 0 421.856 4.007 20 5 HIBDRN COc1cccnc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000109841693 853021441 /nfs/dbraw/zinc/02/14/41/853021441.db2.gz QZNGTYQIEGJIIZ-UHFFFAOYSA-N 0 0 402.457 4.167 20 5 HIBDRN CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000110093893 853058990 /nfs/dbraw/zinc/05/89/90/853058990.db2.gz VGUKMVWIFTXBGQ-CQSZACIVSA-N 0 0 420.878 4.068 20 5 HIBDRN Cn1ccnc1Sc1ccccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000110106560 853060264 /nfs/dbraw/zinc/06/02/64/853060264.db2.gz AZHAWLVMJUCTCU-UHFFFAOYSA-N 0 0 407.455 4.073 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)c2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000110319017 853086438 /nfs/dbraw/zinc/08/64/38/853086438.db2.gz MHJKRLGPEWWGBW-QFIPXVFZSA-N 0 0 417.465 4.324 20 5 HIBDRN C[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000110331576 853088008 /nfs/dbraw/zinc/08/80/08/853088008.db2.gz VYLGYJHVPYRNKE-HNNXBMFYSA-N 0 0 419.503 4.038 20 5 HIBDRN C[C@@H]1CN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000437228092 862426244 /nfs/dbraw/zinc/42/62/44/862426244.db2.gz VLVVJUUWBPGDFA-BETUJISGSA-N 0 0 423.391 4.480 20 5 HIBDRN O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110410884 853096609 /nfs/dbraw/zinc/09/66/09/853096609.db2.gz ZUVOWZZLJOSUAE-OAQYLSRUSA-N 0 0 414.421 4.186 20 5 HIBDRN C[C@H]1CN(Cc2cccc(CNc3ccc(Br)cc3[N+](=O)[O-])c2)CCO1 ZINC000110459666 853102502 /nfs/dbraw/zinc/10/25/02/853102502.db2.gz YLSXCJFNMBLESG-AWEZNQCLSA-N 0 0 420.307 4.190 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(F)ccc2N2CCCCC2)cc([N+](=O)[O-])c1 ZINC000110480773 853106101 /nfs/dbraw/zinc/10/61/01/853106101.db2.gz JQOPQTQMMDHEKG-UHFFFAOYSA-N 0 0 415.421 4.153 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000110485442 853106970 /nfs/dbraw/zinc/10/69/70/853106970.db2.gz IOSCTXRJMVSZSN-AWEZNQCLSA-N 0 0 423.400 4.283 20 5 HIBDRN CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000110641909 853131642 /nfs/dbraw/zinc/13/16/42/853131642.db2.gz BXVKTNKXSNOQIC-UHFFFAOYSA-N 0 0 414.487 4.221 20 5 HIBDRN O=C(c1ccccc1F)N1CCC(Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000111193204 853219397 /nfs/dbraw/zinc/21/93/97/853219397.db2.gz MIOBKMQSOJDXFZ-UHFFFAOYSA-N 0 0 400.435 4.060 20 5 HIBDRN CCc1ccc([C@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)o1 ZINC000112671932 853239423 /nfs/dbraw/zinc/23/94/23/853239423.db2.gz XUENZZJBAYTZGP-QGZVFWFLSA-N 0 0 400.431 4.279 20 5 HIBDRN CCNc1ccc(C(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)cc1[N+](=O)[O-] ZINC000115048727 853244137 /nfs/dbraw/zinc/24/41/37/853244137.db2.gz HRWQIEMUAUYNBT-AWEZNQCLSA-N 0 0 401.463 4.315 20 5 HIBDRN O=[N+]([O-])c1cc(Br)ccc1Oc1ncc(Br)cc1[N+](=O)[O-] ZINC000115872269 853269264 /nfs/dbraw/zinc/26/92/64/853269264.db2.gz JPPMPHLGEOKMOZ-UHFFFAOYSA-N 0 0 418.985 4.215 20 5 HIBDRN CCN(CCc1ccccn1)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000116157008 853287756 /nfs/dbraw/zinc/28/77/56/853287756.db2.gz ORHWYXQMYLPUMD-KRWDZBQOSA-N 0 0 419.485 4.263 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000116598610 853319590 /nfs/dbraw/zinc/31/95/90/853319590.db2.gz IIQBAAQMTSFHKP-CYBMUJFWSA-N 0 0 415.446 4.228 20 5 HIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(Oc2cccnc2)cc1 ZINC000116637269 853322331 /nfs/dbraw/zinc/32/23/31/853322331.db2.gz UBTYHIKNUCOKJM-UHFFFAOYSA-N 0 0 401.382 4.425 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000116710149 853327815 /nfs/dbraw/zinc/32/78/15/853327815.db2.gz DHZOEJWSPYQMJF-UHFFFAOYSA-N 0 0 412.274 4.330 20 5 HIBDRN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437240675 862452489 /nfs/dbraw/zinc/45/24/89/862452489.db2.gz NNRPJZAOSXQVOG-CYBMUJFWSA-N 0 0 424.350 4.488 20 5 HIBDRN CC(C)c1ccc(-n2nnnc2SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000116868923 853336220 /nfs/dbraw/zinc/33/62/20/853336220.db2.gz ZDUXGSBXKZLDIB-UHFFFAOYSA-N 0 0 423.458 4.036 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000117119709 853344152 /nfs/dbraw/zinc/34/41/52/853344152.db2.gz DGEOOUOFJQKTSG-LBPRGKRZSA-N 0 0 424.400 4.483 20 5 HIBDRN O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC000117448469 853357860 /nfs/dbraw/zinc/35/78/60/853357860.db2.gz FNPWMAJUOPEDAM-UHFFFAOYSA-N 0 0 423.454 4.061 20 5 HIBDRN CCOC[C@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000138180849 853379945 /nfs/dbraw/zinc/37/99/45/853379945.db2.gz CNWXKDHDAWEWOR-LBPRGKRZSA-N 0 0 408.838 4.204 20 5 HIBDRN CC(C)N(Cc1nc(COc2ccc(F)cc2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000138403100 853385074 /nfs/dbraw/zinc/38/50/74/853385074.db2.gz GHGZONIQKKEEOY-UHFFFAOYSA-N 0 0 400.410 4.107 20 5 HIBDRN COc1ccccc1N1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000138744097 853395693 /nfs/dbraw/zinc/39/56/93/853395693.db2.gz VDIXLICXRLIUKR-UHFFFAOYSA-N 0 0 411.483 4.217 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)c1 ZINC000139327344 853408608 /nfs/dbraw/zinc/40/86/08/853408608.db2.gz BDQSUEKUZBCADX-UHFFFAOYSA-N 0 0 404.422 4.135 20 5 HIBDRN CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000140755781 853451606 /nfs/dbraw/zinc/45/16/06/853451606.db2.gz HCQMORAVLMRVOZ-XIKOKIGWSA-N 0 0 416.865 4.405 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1 ZINC000145470583 853551519 /nfs/dbraw/zinc/55/15/19/853551519.db2.gz BFFONEVOSXVWAK-AWEZNQCLSA-N 0 0 413.455 4.039 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)c1 ZINC000147000342 853579565 /nfs/dbraw/zinc/57/95/65/853579565.db2.gz LHERVFWEJNBAPJ-CQSZACIVSA-N 0 0 402.447 4.138 20 5 HIBDRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)n2)c(F)c1 ZINC000147525924 853589765 /nfs/dbraw/zinc/58/97/65/853589765.db2.gz LWKRGDBNRVJYEM-UHFFFAOYSA-N 0 0 414.418 4.377 20 5 HIBDRN Cc1cc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc([N+](=O)[O-])c1 ZINC000147617020 853590546 /nfs/dbraw/zinc/59/05/46/853590546.db2.gz MAJAQZWSYNGPKZ-UHFFFAOYSA-N 0 0 409.421 4.280 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000148757332 853612892 /nfs/dbraw/zinc/61/28/92/853612892.db2.gz DGQKEWWNAJYZOS-QFIPXVFZSA-N 0 0 404.426 4.142 20 5 HIBDRN CCc1nc(CN(C)C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cs1 ZINC000149697364 853629501 /nfs/dbraw/zinc/62/95/01/853629501.db2.gz WCFYKVIYYGCFCM-AWEZNQCLSA-N 0 0 402.520 4.122 20 5 HIBDRN O=C(NCc1ccccc1Br)c1cccc([N+](=O)[O-])c1Br ZINC000159085295 853644666 /nfs/dbraw/zinc/64/46/66/853644666.db2.gz UEWPILNDQBVNBX-UHFFFAOYSA-N 0 0 414.053 4.050 20 5 HIBDRN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1I ZINC000160392608 853645757 /nfs/dbraw/zinc/64/57/57/853645757.db2.gz DMQYIQVADZNXCG-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000195566668 853686754 /nfs/dbraw/zinc/68/67/54/853686754.db2.gz KJTLBNSHUNODGJ-IYBDPMFKSA-N 0 0 424.501 4.072 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000195566672 853686856 /nfs/dbraw/zinc/68/68/56/853686856.db2.gz KJTLBNSHUNODGJ-HOTGVXAUSA-N 0 0 424.501 4.072 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)c(C)c1 ZINC000195609896 853711902 /nfs/dbraw/zinc/71/19/02/853711902.db2.gz IIRQPWZLOQRUHJ-CQSZACIVSA-N 0 0 424.482 4.092 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000195640707 853732692 /nfs/dbraw/zinc/73/26/92/853732692.db2.gz TVTDAKWCPKMJBU-CYBMUJFWSA-N 0 0 422.453 4.424 20 5 HIBDRN 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853760644 /nfs/dbraw/zinc/76/06/44/853760644.db2.gz UDDITNBJBSQKDJ-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000195691859 853760811 /nfs/dbraw/zinc/76/08/11/853760811.db2.gz NOCZBBLFGODMNW-QGZVFWFLSA-N 0 0 422.268 4.453 20 5 HIBDRN Cc1sc(NC(=O)CCc2nc(C(C)(C)C)no2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000195704321 853769314 /nfs/dbraw/zinc/76/93/14/853769314.db2.gz SAMTWNMQCWGDQS-UHFFFAOYSA-N 0 0 415.475 4.279 20 5 HIBDRN COc1ccc(NC(=O)CCOc2ccc(C)cc2Br)c([N+](=O)[O-])c1 ZINC000195714409 853774740 /nfs/dbraw/zinc/77/47/40/853774740.db2.gz VFIDPHIUSLHDNL-UHFFFAOYSA-N 0 0 409.236 4.082 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)CC(C)(C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000195714649 853774915 /nfs/dbraw/zinc/77/49/15/853774915.db2.gz YNTPTFRHZZICOT-LJQANCHMSA-N 0 0 412.486 4.462 20 5 HIBDRN Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C\c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000215731570 853836848 /nfs/dbraw/zinc/83/68/48/853836848.db2.gz 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400.489 4.136 20 5 HIBDRN CC(C)n1cnnc1[C@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301294414 854350713 /nfs/dbraw/zinc/35/07/13/854350713.db2.gz QXJRWHHGJWXSNJ-IBGZPJMESA-N 0 0 419.485 4.382 20 5 HIBDRN O=[N+]([O-])c1ccc(NCCc2nccn2Cc2ccccc2)c(Br)c1 ZINC000301350514 854368287 /nfs/dbraw/zinc/36/82/87/854368287.db2.gz MKOJNEHGPBAOOJ-UHFFFAOYSA-N 0 0 401.264 4.257 20 5 HIBDRN COc1cc(F)c([N+](=O)[O-])c(NCc2cc(Br)c(OC)c(OC)c2)c1 ZINC000301426987 854391636 /nfs/dbraw/zinc/39/16/36/854391636.db2.gz CZDFKHRZDQLXFL-UHFFFAOYSA-N 0 0 415.215 4.134 20 5 HIBDRN O=c1c(Cl)c(NCCc2ccccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000301432045 854392247 /nfs/dbraw/zinc/39/22/47/854392247.db2.gz GGOAWRLXODGPNR-UHFFFAOYSA-N 0 0 405.241 4.102 20 5 HIBDRN Cc1ccc([C@H](Nc2ncc(C)cc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000301438113 854394329 /nfs/dbraw/zinc/39/43/29/854394329.db2.gz LFPAOYKOJWZALZ-FQEVSTJZSA-N 0 0 411.483 4.212 20 5 HIBDRN COc1ccc([C@H](Nc2ccc([N+](=O)[O-])cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000301448949 854397183 /nfs/dbraw/zinc/39/71/83/854397183.db2.gz FDPVWXCTQYCFLL-NRFANRHFSA-N 0 0 412.467 4.208 20 5 HIBDRN COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000301452015 854397999 /nfs/dbraw/zinc/39/79/99/854397999.db2.gz UGNSJAOGWPTNEY-OAHLLOKOSA-N 0 0 412.421 4.314 20 5 HIBDRN Cc1ccccc1C(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301453104 854398837 /nfs/dbraw/zinc/39/88/37/854398837.db2.gz VBEJHXCOASBJJL-UHFFFAOYSA-N 0 0 407.392 4.321 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])cc1 ZINC000301462211 854400325 /nfs/dbraw/zinc/40/03/25/854400325.db2.gz VCGKTBZUJZMFGP-HRAATJIYSA-N 0 0 415.446 4.192 20 5 HIBDRN Cc1ccc(I)c(Oc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000301475573 854403237 /nfs/dbraw/zinc/40/32/37/854403237.db2.gz NSSBUYNGTWXPNT-UHFFFAOYSA-N 0 0 401.185 4.009 20 5 HIBDRN COc1ccc([C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Br)c(OC)c1 ZINC000301490960 854407192 /nfs/dbraw/zinc/40/71/92/854407192.db2.gz BDVLZPZHLNPSJJ-OAHLLOKOSA-N 0 0 408.252 4.111 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000301498742 854407914 /nfs/dbraw/zinc/40/79/14/854407914.db2.gz VUGYXGILCATQDB-LBPRGKRZSA-N 0 0 407.829 4.033 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)cc1 ZINC000301516536 854411456 /nfs/dbraw/zinc/41/14/56/854411456.db2.gz FLFHXWXWCLFVII-UHFFFAOYSA-N 0 0 404.264 4.160 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000301530798 854413993 /nfs/dbraw/zinc/41/39/93/854413993.db2.gz LBHGMWBRPISASN-UHFFFAOYSA-N 0 0 413.659 4.155 20 5 HIBDRN COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)N1CCCC1 ZINC000301534767 854415259 /nfs/dbraw/zinc/41/52/59/854415259.db2.gz MHBDXIRMGKRCTK-MRXNPFEDSA-N 0 0 421.295 4.010 20 5 HIBDRN O=[N+]([O-])c1cnc(NCc2ccc(OCC(F)(F)F)cc2)c(Br)c1 ZINC000301533992 854415363 /nfs/dbraw/zinc/41/53/63/854415363.db2.gz MBNKSDXTHBJEHJ-UHFFFAOYSA-N 0 0 406.158 4.306 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CN(c1cc(C(F)(F)F)nc(-c3cccnc3)n1)CC2 ZINC000301541290 854415979 /nfs/dbraw/zinc/41/59/79/854415979.db2.gz BVPVBSQITXFXRE-UHFFFAOYSA-N 0 0 401.348 4.028 20 5 HIBDRN CCc1cc(N[C@@H]2CCCn3nc(C(C)C)nc32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301538586 854416216 /nfs/dbraw/zinc/41/62/16/854416216.db2.gz AZFNQGCFZMIKES-QGZVFWFLSA-N 0 0 407.478 4.276 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N[C@H]2CCN(c3ncccc3F)C2)c([N+](=O)[O-])c1 ZINC000301538506 854416229 /nfs/dbraw/zinc/41/62/29/854416229.db2.gz AUUBLECWFSLBOR-KRWDZBQOSA-N 0 0 406.417 4.051 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1C(F)(F)F ZINC000301548823 854418070 /nfs/dbraw/zinc/41/80/70/854418070.db2.gz FZIXPTHSAAOGTA-SWLSCSKDSA-N 0 0 402.394 4.004 20 5 HIBDRN Cc1nccn1-c1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000301551007 854419190 /nfs/dbraw/zinc/41/91/90/854419190.db2.gz GWKATICPVYWHQG-NSHDSACASA-N 0 0 402.252 4.420 20 5 HIBDRN COc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1nccn1C 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20 5 HIBDRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301782292 854464996 /nfs/dbraw/zinc/46/49/96/854464996.db2.gz NMNSKQDMQFRYNG-YPMHNXCESA-N 0 0 403.401 4.496 20 5 HIBDRN Cc1cc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301825589 854471820 /nfs/dbraw/zinc/47/18/20/854471820.db2.gz MJJRNICJZSZVIX-WNNBVUDTSA-N 0 0 410.499 4.295 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c2ncccc12 ZINC000301832095 854473114 /nfs/dbraw/zinc/47/31/14/854473114.db2.gz IYKHJMRKNLVZCQ-SFHVURJKSA-N 0 0 401.369 4.322 20 5 HIBDRN O=[N+]([O-])c1ccc2nc(N3CCO[C@H](c4cccc(OC(F)F)c4)C3)ccc2c1 ZINC000301845592 854474698 /nfs/dbraw/zinc/47/46/98/854474698.db2.gz SVDOOCDODVPQQZ-SFHVURJKSA-N 0 0 401.369 4.322 20 5 HIBDRN O=C(NC1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1)C1CCCCC1 ZINC000301859139 854477464 /nfs/dbraw/zinc/47/74/64/854477464.db2.gz JVUZZHRCFZZGCY-UHFFFAOYSA-N 0 0 408.502 4.322 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)nc1-c1ccccc1 ZINC000301867345 854479345 /nfs/dbraw/zinc/47/93/45/854479345.db2.gz ICJVFEJRFMUOFW-SFHVURJKSA-N 0 0 418.501 4.359 20 5 HIBDRN CC(C)(C)[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1nc(-c2nc[nH]n2)no1 ZINC000301878357 854483167 /nfs/dbraw/zinc/48/31/67/854483167.db2.gz UFIMIRRTANWHJF-INIZCTEOSA-N 0 0 420.433 4.024 20 5 HIBDRN O=C1CCCN1Cc1ccccc1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301892547 854485980 /nfs/dbraw/zinc/48/59/80/854485980.db2.gz VUJDDJDPSNMSJM-UHFFFAOYSA-N 0 0 402.454 4.391 20 5 HIBDRN Cn1c2ccc(Nc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])cc2nc1C1CC1 ZINC000301889728 854486155 /nfs/dbraw/zinc/48/61/55/854486155.db2.gz SVGGBYFWSLPYNT-UHFFFAOYSA-N 0 0 422.413 4.099 20 5 HIBDRN COc1cccc(-c2ccc(CNc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])cc2)c1 ZINC000301907242 854489880 /nfs/dbraw/zinc/48/98/80/854489880.db2.gz ZSYDXOKPVAWPNK-UHFFFAOYSA-N 0 0 412.467 4.286 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2CNc2c(Br)cncc2[N+](=O)[O-])n1 ZINC000301918813 854492414 /nfs/dbraw/zinc/49/24/14/854492414.db2.gz JYANJELQIPYSQX-UHFFFAOYSA-N 0 0 402.252 4.167 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2Cc3ccccc3[C@H](c3ccccc3)C2)s1 ZINC000301918910 854492473 /nfs/dbraw/zinc/49/24/73/854492473.db2.gz BRUIZPMHTVBFNW-KRWDZBQOSA-N 0 0 414.508 4.212 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H](c2ccccc2)c2ccc(F)cc2)s1 ZINC000301933488 854496485 /nfs/dbraw/zinc/49/64/85/854496485.db2.gz NLLCIQYPAZRVKA-KRWDZBQOSA-N 0 0 406.460 4.400 20 5 HIBDRN Cn1cc(C(=O)C[C@H]2CCCN2c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000301934188 854497706 /nfs/dbraw/zinc/49/77/06/854497706.db2.gz QNKJIRQDKNSRTJ-LLVKDONJSA-N 0 0 416.787 4.242 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@H](C)Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)n1 ZINC000301941713 854500004 /nfs/dbraw/zinc/50/00/04/854500004.db2.gz WWOKCQBRCLDPCJ-ZDUSSCGKSA-N 0 0 420.516 4.035 20 5 HIBDRN C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000301943512 854500546 /nfs/dbraw/zinc/50/05/46/854500546.db2.gz YGETZDYUKLACHX-QMMMGPOBSA-N 0 0 410.395 4.132 20 5 HIBDRN CCOc1cc(N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000301948586 854501978 /nfs/dbraw/zinc/50/19/78/854501978.db2.gz FEYGPHZUFAPTPV-OAHLLOKOSA-N 0 0 416.453 4.171 20 5 HIBDRN CC(C)NC(=O)c1ccc(N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000301952439 854503083 /nfs/dbraw/zinc/50/30/83/854503083.db2.gz HFHVZWZVPXCYQY-MJGOQNOKSA-N 0 0 421.856 4.468 20 5 HIBDRN Cc1ccc(Oc2ccc([N+](=O)[O-])c(OC(F)F)c2)c(I)n1 ZINC000301970831 854507519 /nfs/dbraw/zinc/50/75/19/854507519.db2.gz FGIUDMLUHNBNDO-UHFFFAOYSA-N 0 0 422.125 4.297 20 5 HIBDRN COc1cc(N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)cc1[N+](=O)[O-] ZINC000301985759 854509514 /nfs/dbraw/zinc/50/95/14/854509514.db2.gz ZASUYDPUODNKNF-ZDUSSCGKSA-N 0 0 416.384 4.316 20 5 HIBDRN CC(C)(CNc1sccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Br)cc1 ZINC000302014753 854516549 /nfs/dbraw/zinc/51/65/49/854516549.db2.gz LJASKSPIHYPDCC-UHFFFAOYSA-N 0 0 419.322 4.083 20 5 HIBDRN O=[N+]([O-])c1sc(NCc2ccc(Cl)cn2)nc1NCc1ccc(Cl)cn1 ZINC000302022583 854517421 /nfs/dbraw/zinc/51/74/21/854517421.db2.gz OPQIRTUHFCHZTJ-UHFFFAOYSA-N 0 0 411.274 4.372 20 5 HIBDRN Cc1cc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302042488 854520670 /nfs/dbraw/zinc/52/06/70/854520670.db2.gz WWWPJFCZLVVAEJ-OAHLLOKOSA-N 0 0 400.479 4.193 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000302044509 854521530 /nfs/dbraw/zinc/52/15/30/854521530.db2.gz SWNMFUJRYKFTID-NSHDSACASA-N 0 0 402.394 4.060 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2cc(F)c(N3CCCCC3)c(F)c2)s1 ZINC000302062622 854524400 /nfs/dbraw/zinc/52/44/00/854524400.db2.gz CWHJEKKQSNRWTC-UHFFFAOYSA-N 0 0 417.459 4.072 20 5 HIBDRN C[C@@H](Cc1ccccc1C(F)(F)F)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302063376 854524509 /nfs/dbraw/zinc/52/45/09/854524509.db2.gz DGGCQHFHWDNDMH-VIFPVBQESA-N 0 0 408.423 4.122 20 5 HIBDRN CCc1cc(NCc2ccc(N3CCOC3=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302060228 854524548 /nfs/dbraw/zinc/52/45/48/854524548.db2.gz CCKHMZRGZVNFJV-UHFFFAOYSA-N 0 0 419.441 4.183 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000302100402 854531159 /nfs/dbraw/zinc/53/11/59/854531159.db2.gz PPFFLMFWCCCGDV-UHFFFAOYSA-N 0 0 402.834 4.134 20 5 HIBDRN COc1ccc(-c2nnc(Sc3ncc([N+](=O)[O-])cn3)n2C2CCCCC2)cc1 ZINC000302156306 854538995 /nfs/dbraw/zinc/53/89/95/854538995.db2.gz MTWHYTHXLCJGFQ-UHFFFAOYSA-N 0 0 412.475 4.308 20 5 HIBDRN Cc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)nc1 ZINC000302162531 854539557 /nfs/dbraw/zinc/53/95/57/854539557.db2.gz HVLHBPVIYBDPCY-UHFFFAOYSA-N 0 0 419.485 4.353 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCSc3ccc(Cl)cc32)s1 ZINC000302194033 854547386 /nfs/dbraw/zinc/54/73/86/854547386.db2.gz RXRPBTRRYLNTCJ-SNVBAGLBSA-N 0 0 404.922 4.362 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(Br)c1 ZINC000302198619 854547714 /nfs/dbraw/zinc/54/77/14/854547714.db2.gz UEWBOXHCJGJDQX-NSHDSACASA-N 0 0 419.201 4.414 20 5 HIBDRN O=c1[nH]cnc2cc(N3CC[C@@H](c4cccc(C(F)(F)F)c4)C3)c([N+](=O)[O-])cc12 ZINC000302200171 854548822 /nfs/dbraw/zinc/54/88/22/854548822.db2.gz YZJRMFJWTPGIOH-GFCCVEGCSA-N 0 0 404.348 4.256 20 5 HIBDRN CCOc1ccc2c(c1)[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c1)CCO2 ZINC000302336438 854562441 /nfs/dbraw/zinc/56/24/41/854562441.db2.gz AZCLGZNWRRCYPD-IBGZPJMESA-N 0 0 411.458 4.165 20 5 HIBDRN NS(=O)(=O)c1ccc(N[C@@H]2CCc3ccc(-c4ccccc4)cc32)c([N+](=O)[O-])c1 ZINC000302349236 854562697 /nfs/dbraw/zinc/56/26/97/854562697.db2.gz BISZBFFDDXPPIV-LJQANCHMSA-N 0 0 409.467 4.009 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(O)(c3c(F)cccc3F)CC2)c(C(F)(F)F)c1 ZINC000302389654 854567504 /nfs/dbraw/zinc/56/75/04/854567504.db2.gz IBPCVFUCTVEXBC-UHFFFAOYSA-N 0 0 402.319 4.380 20 5 HIBDRN CC(C)c1ccc2c(c1)[C@H](Nc1ccc(C(=O)N3CCOCC3)cc1[N+](=O)[O-])CC2 ZINC000302429688 854570567 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HIBDRN C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000302695333 854605848 /nfs/dbraw/zinc/60/58/48/854605848.db2.gz WDNFFHQKLCJREQ-LLVKDONJSA-N 0 0 402.394 4.233 20 5 HIBDRN O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCN1Cc1ccc(F)cc1 ZINC000302717572 854611311 /nfs/dbraw/zinc/61/13/11/854611311.db2.gz KBUFFHRVLTYORD-SFHVURJKSA-N 0 0 406.417 4.009 20 5 HIBDRN COc1ccccc1-c1nc(C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)no1 ZINC000302712235 854611391 /nfs/dbraw/zinc/61/13/91/854611391.db2.gz LDLDKQMVXBLYFQ-UHFFFAOYSA-N 0 0 415.837 4.086 20 5 HIBDRN COc1ccccc1-c1nc(C2CCN(c3cccc(OC)c3[N+](=O)[O-])CC2)no1 ZINC000302734107 854615394 /nfs/dbraw/zinc/61/53/94/854615394.db2.gz VOVYEJCVYTWLAF-UHFFFAOYSA-N 0 0 410.430 4.046 20 5 HIBDRN COc1cc(OC)c2ncnc(Oc3ccc([N+](=O)[O-])cc3Br)c2c1 ZINC000302854900 854658420 /nfs/dbraw/zinc/65/84/20/854658420.db2.gz KUHMFXUUCTXUFM-UHFFFAOYSA-N 0 0 406.192 4.110 20 5 HIBDRN CCOc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)c([N+](=O)[O-])cc1OCC ZINC000302889219 854667262 /nfs/dbraw/zinc/66/72/62/854667262.db2.gz BPEVFWFDFLDNSJ-UHFFFAOYSA-N 0 0 402.300 4.201 20 5 HIBDRN CCOc1cc(NC(=O)Cc2ccc(Br)cc2)c([N+](=O)[O-])cc1OCC ZINC000302895263 854669712 /nfs/dbraw/zinc/66/97/12/854669712.db2.gz MRRWHMXGDCVCFE-UHFFFAOYSA-N 0 0 423.263 4.336 20 5 HIBDRN Cc1nc(C)c(CNc2ccc([N+](=O)[O-])c(NCc3sc(C)nc3C)n2)s1 ZINC000302915896 854678476 /nfs/dbraw/zinc/67/84/76/854678476.db2.gz VWIKYGFCJVVIMN-UHFFFAOYSA-N 0 0 404.521 4.361 20 5 HIBDRN Cc1ccc2nc(COc3cccc(C(=O)NCc4ccc([N+](=O)[O-])cc4)c3)cn2c1 ZINC000302950306 854692857 /nfs/dbraw/zinc/69/28/57/854692857.db2.gz KBISHKOZEGHVMJ-UHFFFAOYSA-N 0 0 416.437 4.060 20 5 HIBDRN Cc1nc2ccccc2c2c(NC(=O)[C@H](C)OC[C@H]3CCCO3)c3ccccc3n21 ZINC000302951884 854693634 /nfs/dbraw/zinc/69/36/34/854693634.db2.gz APAKIYHBFPRLAC-DOTOQJQBSA-N 0 0 403.482 4.472 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000302973102 854703591 /nfs/dbraw/zinc/70/35/91/854703591.db2.gz GRNDSIIDIJZPIV-CYBMUJFWSA-N 0 0 415.298 4.297 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303059698 854742465 /nfs/dbraw/zinc/74/24/65/854742465.db2.gz UIDMOVASLCQRFJ-UHFFFAOYSA-N 0 0 406.373 4.442 20 5 HIBDRN Cc1cc(C)cc(-c2cc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n[nH]2)c1 ZINC000303097993 854758843 /nfs/dbraw/zinc/75/88/43/854758843.db2.gz GKGBKHMYGHYVCB-UHFFFAOYSA-N 0 0 402.414 4.040 20 5 HIBDRN CCC1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000303099949 854760046 /nfs/dbraw/zinc/76/00/46/854760046.db2.gz HDOFRKZRYQAYII-UHFFFAOYSA-N 0 0 416.259 4.146 20 5 HIBDRN COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000303180410 854804460 /nfs/dbraw/zinc/80/44/60/854804460.db2.gz KPBILTMJTWJXAL-INIZCTEOSA-N 0 0 410.879 4.091 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCCC2 ZINC000303270941 854843613 /nfs/dbraw/zinc/84/36/13/854843613.db2.gz HHZFQBCVEHMTKX-UHFFFAOYSA-N 0 0 406.442 4.229 20 5 HIBDRN O=C(Nc1cccc(Oc2ccccc2)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000303422676 854924805 /nfs/dbraw/zinc/92/48/05/854924805.db2.gz VASMRPCQUNDOQH-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000303431810 854932935 /nfs/dbraw/zinc/93/29/35/854932935.db2.gz WYUPLUMPXQMPAE-FQEVSTJZSA-N 0 0 423.856 4.228 20 5 HIBDRN O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303434898 854935551 /nfs/dbraw/zinc/93/55/51/854935551.db2.gz GQCYJXGNKMFVKQ-UHFFFAOYSA-N 0 0 401.850 4.307 20 5 HIBDRN CCC(CC)[C@@H](O)CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000303438167 854938243 /nfs/dbraw/zinc/93/82/43/854938243.db2.gz FAPXNIFHNJJWMT-HNNXBMFYSA-N 0 0 409.533 4.038 20 5 HIBDRN CSc1nnc(CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1C1CCCC1 ZINC000303444934 854943744 /nfs/dbraw/zinc/94/37/44/854943744.db2.gz IKVGTOTXHPTJNU-UHFFFAOYSA-N 0 0 423.926 4.039 20 5 HIBDRN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cccc2ccccc21 ZINC000303484391 854976739 /nfs/dbraw/zinc/97/67/39/854976739.db2.gz OYHQASDRJMOWDN-KSSFIOAISA-N 0 0 423.494 4.292 20 5 HIBDRN Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)CCC2 ZINC000303485471 854977563 /nfs/dbraw/zinc/97/75/63/854977563.db2.gz QXBPGNRILBITAQ-AWEZNQCLSA-N 0 0 415.924 4.020 20 5 HIBDRN Cc1cccc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000303490166 854980476 /nfs/dbraw/zinc/98/04/76/854980476.db2.gz LPROTWDFPSATAK-MRXNPFEDSA-N 0 0 405.857 4.090 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(CCc1cccc(F)c1)C1CC1 ZINC000303513325 855001488 /nfs/dbraw/zinc/00/14/88/855001488.db2.gz BUGMDYSCMPENPT-UHFFFAOYSA-N 0 0 411.477 4.184 20 5 HIBDRN Cc1ccccc1CN(Cc1ccccn1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303525171 855012422 /nfs/dbraw/zinc/01/24/22/855012422.db2.gz QDJVTKYZXCTFLN-UHFFFAOYSA-N 0 0 401.426 4.017 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1 ZINC000303578447 855054010 /nfs/dbraw/zinc/05/40/10/855054010.db2.gz JZQHZYQUSNDCLT-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000303583193 855056432 /nfs/dbraw/zinc/05/64/32/855056432.db2.gz KTLUSDQVSRIRRQ-UHFFFAOYSA-N 0 0 419.840 4.187 20 5 HIBDRN O=C(Nc1ccnn1Cc1ccccc1F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437359058 862640203 /nfs/dbraw/zinc/64/02/03/862640203.db2.gz NHGOKBGEUYGBRX-UHFFFAOYSA-N 0 0 408.311 4.250 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CCCc3cc(Cl)cc(C)c32)cc([N+](=O)[O-])c1 ZINC000303650202 855105378 /nfs/dbraw/zinc/10/53/78/855105378.db2.gz DPNWKKLPNMVFRO-UHFFFAOYSA-N 0 0 402.834 4.326 20 5 HIBDRN O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303654137 855108976 /nfs/dbraw/zinc/10/89/76/855108976.db2.gz BXDIRSAOORSXNW-UHFFFAOYSA-N 0 0 414.805 4.340 20 5 HIBDRN Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303685583 855131582 /nfs/dbraw/zinc/13/15/82/855131582.db2.gz KHGIGQWRNBEBIV-ZDUSSCGKSA-N 0 0 400.822 4.024 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)C[C@H](C)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000303702116 855141252 /nfs/dbraw/zinc/14/12/52/855141252.db2.gz OKBCYEIKBFAFKN-HNAYVOBHSA-N 0 0 416.449 4.427 20 5 HIBDRN O=C(c1ccc(OCC2CCCCC2)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303793467 855201214 /nfs/dbraw/zinc/20/12/14/855201214.db2.gz QRMWSUWRIOYDOK-IBGZPJMESA-N 0 0 424.501 4.276 20 5 HIBDRN COc1cc(OCC(=O)Nc2cc(C(C)C)nn2-c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000303806784 855210549 /nfs/dbraw/zinc/21/05/49/855210549.db2.gz MSGHNEAUFJJELA-UHFFFAOYSA-N 0 0 424.457 4.238 20 5 HIBDRN COc1ccc(Br)cc1SCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000303907983 855282518 /nfs/dbraw/zinc/28/25/18/855282518.db2.gz QWOKUTFIBHBERQ-UHFFFAOYSA-N 0 0 411.277 4.487 20 5 HIBDRN CN1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2cc(Cl)ccc21 ZINC000303957352 855319853 /nfs/dbraw/zinc/31/98/53/855319853.db2.gz AZWDHOVHSJGWDK-UHFFFAOYSA-N 0 0 414.893 4.335 20 5 HIBDRN COc1ccc(OCCSc2nnc(-c3cccs3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000303961323 855323690 /nfs/dbraw/zinc/32/36/90/855323690.db2.gz 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C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000437377361 862684838 /nfs/dbraw/zinc/68/48/38/862684838.db2.gz VDEMIRVVEMNCHS-GLJUWKHASA-N 0 0 404.850 4.004 20 5 HIBDRN O=C(CCCC(=O)c1ccc(Br)cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000409517271 855519362 /nfs/dbraw/zinc/51/93/62/855519362.db2.gz BKPLQUHCQJOOED-UHFFFAOYSA-N 0 0 419.275 4.069 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409563570 855542640 /nfs/dbraw/zinc/54/26/40/855542640.db2.gz RPUKLTQLUABFGZ-FXAWDEMLSA-N 0 0 415.287 4.220 20 5 HIBDRN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409572319 855545720 /nfs/dbraw/zinc/54/57/20/855545720.db2.gz VUKIFZWIZCNXKM-UHFFFAOYSA-N 0 0 420.450 4.470 20 5 HIBDRN C[C@@]1(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])CCCc2ccccc21 ZINC000409578229 855550379 /nfs/dbraw/zinc/55/03/79/855550379.db2.gz VVWGXUYEZBNJIZ-KRWDZBQOSA-N 0 0 409.305 4.443 20 5 HIBDRN Cc1cc(F)cc2c1CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC2 ZINC000409662211 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KPXNPEIQFCQCLI-NSHDSACASA-N 0 0 401.410 4.353 20 5 HIBDRN O=C(NCc1ccc(OCC(F)(F)F)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426025344 856055278 /nfs/dbraw/zinc/05/52/78/856055278.db2.gz VEMCLRVQROKPBP-UHFFFAOYSA-N 0 0 423.391 4.410 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426050620 856074456 /nfs/dbraw/zinc/07/44/56/856074456.db2.gz LURUPDISRBALMT-SFTDATJTSA-N 0 0 413.449 4.328 20 5 HIBDRN O=C(N[C@H](c1cccc(F)c1)C1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000426052079 856075420 /nfs/dbraw/zinc/07/54/20/856075420.db2.gz RMYQXWKOWUHVMU-FQEVSTJZSA-N 0 0 415.469 4.208 20 5 HIBDRN O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000426052080 856075526 /nfs/dbraw/zinc/07/55/26/856075526.db2.gz RMYQXWKOWUHVMU-HXUWFJFHSA-N 0 0 415.469 4.208 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C ZINC000426061037 856080566 /nfs/dbraw/zinc/08/05/66/856080566.db2.gz JLFIBFFABOYTCD-UHFFFAOYSA-N 0 0 403.460 4.338 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000426065389 856082787 /nfs/dbraw/zinc/08/27/87/856082787.db2.gz AZSYWHGTINZCDM-UHFFFAOYSA-N 0 0 403.801 4.073 20 5 HIBDRN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000426184007 856160892 /nfs/dbraw/zinc/16/08/92/856160892.db2.gz RPMZFHRKUCTQSW-KRWDZBQOSA-N 0 0 412.273 4.431 20 5 HIBDRN CC(C)c1nn(C)cc1-c1noc(-c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000426196661 856170233 /nfs/dbraw/zinc/17/02/33/856170233.db2.gz NPSAIKKQMMBHRV-UHFFFAOYSA-N 0 0 410.478 4.405 20 5 HIBDRN COC[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000426201501 856172429 /nfs/dbraw/zinc/17/24/29/856172429.db2.gz PMEUZXQNGOEQSF-MRXNPFEDSA-N 0 0 412.273 4.131 20 5 HIBDRN CC1(C)CC[C@H]2C[C@@H](NC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c3cccc1c32 ZINC000426214926 856180454 /nfs/dbraw/zinc/18/04/54/856180454.db2.gz QEHOQQUBDPQFKX-HNAYVOBHSA-N 0 0 423.517 4.438 20 5 HIBDRN CC(C)OCc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])ccc1O 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/nfs/dbraw/zinc/24/04/38/856240438.db2.gz QSLYTLZCNIVKPT-HSZRJFAPSA-N 0 0 417.465 4.481 20 5 HIBDRN Cc1c(CNC(=O)NCc2ccnc(Oc3ccccc3F)c2)cccc1[N+](=O)[O-] ZINC000426393780 856273731 /nfs/dbraw/zinc/27/37/31/856273731.db2.gz ANEDLIHFMJPJHK-UHFFFAOYSA-N 0 0 410.405 4.229 20 5 HIBDRN C[C@@H](c1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@@H]1OCCc2sccc21 ZINC000426435746 856288963 /nfs/dbraw/zinc/28/89/63/856288963.db2.gz DTNYWMOMTQAFSZ-XIKOKIGWSA-N 0 0 400.460 4.111 20 5 HIBDRN CC(C)(c1nc(CC(=O)Nc2ccccc2Cl)no1)c1ccccc1[N+](=O)[O-] ZINC000426435103 856289363 /nfs/dbraw/zinc/28/93/63/856289363.db2.gz JXPBJUCFWHPVHF-UHFFFAOYSA-N 0 0 400.822 4.138 20 5 HIBDRN Cc1c(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000426494958 856319989 /nfs/dbraw/zinc/31/99/89/856319989.db2.gz IOYBOJSGZHZCNK-UHFFFAOYSA-N 0 0 414.849 4.458 20 5 HIBDRN C[C@H](CCC(=O)[O-])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426662778 856399073 /nfs/dbraw/zinc/39/90/73/856399073.db2.gz YIDRBSSCWRXTOW-MRXNPFEDSA-N 0 0 408.458 4.038 20 5 HIBDRN CN(c1ccccc1)c1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426679225 856408557 /nfs/dbraw/zinc/40/85/57/856408557.db2.gz UPXQVNPEEGLLNO-FQEVSTJZSA-N 0 0 405.454 4.148 20 5 HIBDRN O=C([O-])c1coc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000426686975 856413107 /nfs/dbraw/zinc/41/31/07/856413107.db2.gz IDUPZAYCQMDLRM-UHFFFAOYSA-N 0 0 418.409 4.029 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000426703562 856421629 /nfs/dbraw/zinc/42/16/29/856421629.db2.gz MKTQXEIQHGDDME-QGZVFWFLSA-N 0 0 408.483 4.435 20 5 HIBDRN O=C([O-])[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426729187 856438077 /nfs/dbraw/zinc/43/80/77/856438077.db2.gz ANEWPUAPZHBRGD-GOSISDBHSA-N 0 0 400.818 4.294 20 5 HIBDRN O=C([O-])[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426729188 856438263 /nfs/dbraw/zinc/43/82/63/856438263.db2.gz ANEWPUAPZHBRGD-SFHVURJKSA-N 0 0 400.818 4.294 20 5 HIBDRN O=C([O-])[C@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000426736216 856443327 /nfs/dbraw/zinc/44/33/27/856443327.db2.gz IEFGZNPBNFMRMG-KRWDZBQOSA-N 0 0 417.874 4.157 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426754742 856457554 /nfs/dbraw/zinc/45/75/54/856457554.db2.gz SSGJAEGZCYQSDF-FUHWJXTLSA-N 0 0 402.447 4.377 20 5 HIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000426773613 856470620 /nfs/dbraw/zinc/47/06/20/856470620.db2.gz QAIWHCCYSXSGCN-SFHVURJKSA-N 0 0 400.431 4.248 20 5 HIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000426815553 856494359 /nfs/dbraw/zinc/49/43/59/856494359.db2.gz FXXALJXQVXKWBJ-NRFANRHFSA-N 0 0 424.428 4.098 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000437432168 862804885 /nfs/dbraw/zinc/80/48/85/862804885.db2.gz UDMLPTZBAZTQBZ-MQMHXKEQSA-N 0 0 412.339 4.351 20 5 HIBDRN COc1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1C(F)(F)F ZINC000426932674 856548802 /nfs/dbraw/zinc/54/88/02/856548802.db2.gz ORLMXXMLRPTWDQ-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN C[C@H](Cc1cccc(O)c1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427049990 856610989 /nfs/dbraw/zinc/61/09/89/856610989.db2.gz UOBGEYKZHMHEEO-MRXNPFEDSA-N 0 0 406.438 4.240 20 5 HIBDRN Cc1cnc([C@@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000427063709 856616906 /nfs/dbraw/zinc/61/69/06/856616906.db2.gz FMXLNMSWAKEJLF-SNVBAGLBSA-N 0 0 402.398 4.058 20 5 HIBDRN C[C@@H](c1cccc(Br)c1)S(=O)(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000427085308 856627331 /nfs/dbraw/zinc/62/73/31/856627331.db2.gz QKOGISZXJRILTB-VIFPVBQESA-N 0 0 420.231 4.312 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCO[C@H](c2ccsc2)C1 ZINC000427150280 856670967 /nfs/dbraw/zinc/67/09/67/856670967.db2.gz NXKTYJAJEMAGSI-NRFANRHFSA-N 0 0 424.478 4.449 20 5 HIBDRN O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437459904 862823470 /nfs/dbraw/zinc/82/34/70/862823470.db2.gz PJYKEYHLVFKAHG-UHFFFAOYSA-N 0 0 420.469 4.144 20 5 HIBDRN COc1ccc(CS(=O)(=O)[C@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000427193527 856704453 /nfs/dbraw/zinc/70/44/53/856704453.db2.gz OOULUNYYDCMDRS-LLVKDONJSA-N 0 0 414.277 4.042 20 5 HIBDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000427233989 856727538 /nfs/dbraw/zinc/72/75/38/856727538.db2.gz IGYQNGAULOZUKG-RBUKOAKNSA-N 0 0 416.547 4.251 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000437468310 862830234 /nfs/dbraw/zinc/83/02/34/862830234.db2.gz OMVOUTGMOKDDLK-DYESRHJHSA-N 0 0 402.878 4.383 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)n1 ZINC000427259393 856739968 /nfs/dbraw/zinc/73/99/68/856739968.db2.gz ZNYCNOZCPLZMHL-KRWDZBQOSA-N 0 0 402.813 4.123 20 5 HIBDRN COc1ccc(F)cc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)n1 ZINC000427284044 856750163 /nfs/dbraw/zinc/75/01/63/856750163.db2.gz YXRPTZUVHZQDSU-UHFFFAOYSA-N 0 0 403.391 4.127 20 5 HIBDRN CCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2OC)cnn1-c1ccc(Cl)cc1 ZINC000427341878 856781961 /nfs/dbraw/zinc/78/19/61/856781961.db2.gz IUDXFJJPFSVDPV-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(C)C)c2ccccc2OCC(C)C)n1 ZINC000427377009 856800733 /nfs/dbraw/zinc/80/07/33/856800733.db2.gz VEDCCBVPUOGHGD-QGZVFWFLSA-N 0 0 402.495 4.363 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)c2ccccc2OC)cc1 ZINC000427391243 856803908 /nfs/dbraw/zinc/80/39/08/856803908.db2.gz MYHPZDSVFWWKQU-QFIPXVFZSA-N 0 0 422.437 4.140 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncccc1OCc1cccc(Cl)c1 ZINC000427407026 856808937 /nfs/dbraw/zinc/80/89/37/856808937.db2.gz WBDCOLBMOVNWQU-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN CCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cnn1CCC(C)C ZINC000427409525 856809664 /nfs/dbraw/zinc/80/96/64/856809664.db2.gz ZQONILDCIFJXLM-UHFFFAOYSA-N 0 0 409.284 4.415 20 5 HIBDRN C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C(=O)N(C)[C@H]3CC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000427425020 856814495 /nfs/dbraw/zinc/81/44/95/856814495.db2.gz SOENJPPJJBTUIS-FZCLSBEQSA-N 0 0 401.507 4.116 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)cc1[N+](=O)[O-] ZINC000427428236 856815576 /nfs/dbraw/zinc/81/55/76/856815576.db2.gz MUUZCXBEXYHLDQ-OAQYLSRUSA-N 0 0 415.449 4.312 20 5 HIBDRN CN(CC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000427431742 856817243 /nfs/dbraw/zinc/81/72/43/856817243.db2.gz MPNDXFWHTWMTBL-UHFFFAOYSA-N 0 0 410.474 4.189 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)n1 ZINC000427454469 856826882 /nfs/dbraw/zinc/82/68/82/856826882.db2.gz AGARTLRNPXPVTG-QGZVFWFLSA-N 0 0 422.485 4.060 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)c2ccc3ccccc3c2)n1 ZINC000427595131 856881671 /nfs/dbraw/zinc/88/16/71/856881671.db2.gz TVDDIGMPQULDGI-OAQYLSRUSA-N 0 0 400.438 4.484 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C ZINC000427601340 856883797 /nfs/dbraw/zinc/88/37/97/856883797.db2.gz KOZOKSOQSOGAOX-CQSZACIVSA-N 0 0 411.458 4.036 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C)cc2C)n1 ZINC000427600503 856883841 /nfs/dbraw/zinc/88/38/41/856883841.db2.gz UEVZIIKSFPHMEO-UHFFFAOYSA-N 0 0 422.420 4.065 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000427607997 856886447 /nfs/dbraw/zinc/88/64/47/856886447.db2.gz WFGDVOYOXZLYIV-OAQYLSRUSA-N 0 0 416.437 4.010 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)n1 ZINC000427643147 856894931 /nfs/dbraw/zinc/89/49/31/856894931.db2.gz XGRPNQJNCNDWAP-UHFFFAOYSA-N 0 0 411.289 4.213 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)cc([N+](=O)[O-])c1 ZINC000437493416 862851306 /nfs/dbraw/zinc/85/13/06/862851306.db2.gz FPFMCSOPXQVBQS-ACJLOTCBSA-N 0 0 400.431 4.286 20 5 HIBDRN COc1cc(OCC(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000437503613 862856713 /nfs/dbraw/zinc/85/67/13/862856713.db2.gz IYOZMFLVNGQFRC-CTYIDZIISA-N 0 0 424.375 4.063 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000427933438 857012996 /nfs/dbraw/zinc/01/29/96/857012996.db2.gz QPTXPVVTUBOFMN-UHFFFAOYSA-N 0 0 418.500 4.048 20 5 HIBDRN CCOc1ccc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCOC)cc1[N+](=O)[O-] ZINC000427967762 857026046 /nfs/dbraw/zinc/02/60/46/857026046.db2.gz UZAYBORRCBSQGA-HNNXBMFYSA-N 0 0 413.474 4.092 20 5 HIBDRN COC[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Cl)cc1 ZINC000428071989 857062947 /nfs/dbraw/zinc/06/29/47/857062947.db2.gz BLXCHLOGFUSPSG-OAQYLSRUSA-N 0 0 406.869 4.452 20 5 HIBDRN COC[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Cl)cc1 ZINC000428071987 857063155 /nfs/dbraw/zinc/06/31/55/857063155.db2.gz BLXCHLOGFUSPSG-NRFANRHFSA-N 0 0 406.869 4.452 20 5 HIBDRN COc1cc(OC)c(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)cc1Br ZINC000428117464 857077893 /nfs/dbraw/zinc/07/78/93/857077893.db2.gz VUNFQFGRAOEUJU-UHFFFAOYSA-N 0 0 420.219 4.108 20 5 HIBDRN O=C(N[C@H]1CSc2ccc(Br)cc21)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000428184944 857103271 /nfs/dbraw/zinc/10/32/71/857103271.db2.gz LBBCPZQABSLDPY-ZDUSSCGKSA-N 0 0 418.272 4.415 20 5 HIBDRN O=C(Nc1nc(CN2CCCCC2)cs1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437546623 862878667 /nfs/dbraw/zinc/87/86/67/862878667.db2.gz JXWMIRUBZIXLGW-UHFFFAOYSA-N 0 0 415.519 4.234 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N(CC(C)(C)O)C3CC3)cc2[N+](=O)[O-])cc1 ZINC000428349502 857166124 /nfs/dbraw/zinc/16/61/24/857166124.db2.gz VVOWPBLWPQUSRS-UHFFFAOYSA-N 0 0 400.500 4.430 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)Cc1ccco1 ZINC000428350071 857166230 /nfs/dbraw/zinc/16/62/30/857166230.db2.gz NAQGBCCFICNWCF-UHFFFAOYSA-N 0 0 400.412 4.274 20 5 HIBDRN CCOC(=O)[C@@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccc(OC)c(F)c1 ZINC000428370667 857180218 /nfs/dbraw/zinc/18/02/18/857180218.db2.gz BBKKQKUIMPVXCG-FQEVSTJZSA-N 0 0 404.438 4.260 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000428482192 857220716 /nfs/dbraw/zinc/22/07/16/857220716.db2.gz PJFHZAKEXBULTD-GFCCVEGCSA-N 0 0 422.279 4.269 20 5 HIBDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000428499348 857227652 /nfs/dbraw/zinc/22/76/52/857227652.db2.gz YYOYDSLVUXVOBT-OAHLLOKOSA-N 0 0 408.442 4.118 20 5 HIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CCC[C@H]21 ZINC000428521737 857238873 /nfs/dbraw/zinc/23/88/73/857238873.db2.gz XLZPDAFBPPFTLV-VGOFRKELSA-N 0 0 416.481 4.391 20 5 HIBDRN CC[C@@]1(CO)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000428525043 857239807 /nfs/dbraw/zinc/23/98/07/857239807.db2.gz MDPCNDKFAYUGJR-JOCHJYFZSA-N 0 0 414.458 4.020 20 5 HIBDRN O=C(Nc1ccccc1N1CCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000437569047 862891109 /nfs/dbraw/zinc/89/11/09/862891109.db2.gz PRLKBFGNNRAVPA-UHFFFAOYSA-N 0 0 410.474 4.270 20 5 HIBDRN Cc1c2ccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cc2nn1C ZINC000428610560 857277668 /nfs/dbraw/zinc/27/76/68/857277668.db2.gz DGWFDPVIOFXAPR-UHFFFAOYSA-N 0 0 418.403 4.407 20 5 HIBDRN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@H]1c1ccccc1 ZINC000437574649 862893845 /nfs/dbraw/zinc/89/38/45/862893845.db2.gz DESHEZAUCLKUDA-LIRRHRJNSA-N 0 0 408.483 4.492 20 5 HIBDRN CCOC(=O)c1csc(C2CCN(c3cccc(OCC)c3[N+](=O)[O-])CC2)n1 ZINC000428663947 857293417 /nfs/dbraw/zinc/29/34/17/857293417.db2.gz ANQVEJBELLKBLQ-UHFFFAOYSA-N 0 0 405.476 4.011 20 5 HIBDRN Cc1noc(C[C@@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)c2ccccc2)n1 ZINC000428676021 857294888 /nfs/dbraw/zinc/29/48/88/857294888.db2.gz NZKKWBFWGBGGOW-CYBMUJFWSA-N 0 0 418.251 4.148 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC[C@@H]1O ZINC000428687661 857297527 /nfs/dbraw/zinc/29/75/27/857297527.db2.gz DJSBQYGSEHDKGP-SJCJKPOMSA-N 0 0 406.891 4.242 20 5 HIBDRN CC[C@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC000428706163 857304627 /nfs/dbraw/zinc/30/46/27/857304627.db2.gz BKNUPWUFONEQCW-IBGZPJMESA-N 0 0 406.891 4.386 20 5 HIBDRN COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000437587212 862900247 /nfs/dbraw/zinc/90/02/47/862900247.db2.gz FLLAMDUOBSLYMC-LLVKDONJSA-N 0 0 408.252 4.056 20 5 HIBDRN O=C(NC1(c2ccc(F)cc2)CCOCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000428818958 857359863 /nfs/dbraw/zinc/35/98/63/857359863.db2.gz GKLIEGIGFYTYTI-UHFFFAOYSA-N 0 0 416.452 4.256 20 5 HIBDRN C[C@@H](SCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1nc2ccccc2[nH]1 ZINC000437590253 862903083 /nfs/dbraw/zinc/90/30/83/862903083.db2.gz MAGRDONSTBXOKK-CQSZACIVSA-N 0 0 410.499 4.457 20 5 HIBDRN C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428926896 857421314 /nfs/dbraw/zinc/42/13/14/857421314.db2.gz CZMYYVDAPGGEGS-ACJLOTCBSA-N 0 0 423.391 4.014 20 5 HIBDRN CCOC(=O)Cn1ccc2cc(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc21 ZINC000429058615 857484653 /nfs/dbraw/zinc/48/46/53/857484653.db2.gz GIBHOSIFZBNDIO-HNNXBMFYSA-N 0 0 424.457 4.304 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000429077242 857496898 /nfs/dbraw/zinc/49/68/98/857496898.db2.gz VGMYFHNRLPFGLQ-DLBZAZTESA-N 0 0 412.490 4.179 20 5 HIBDRN CCOc1cc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC ZINC000437608999 862924179 /nfs/dbraw/zinc/92/41/79/862924179.db2.gz ZVLJHXOKGCUIFK-QGZVFWFLSA-N 0 0 413.474 4.489 20 5 HIBDRN C[C@@H]1CC[C@H](N(C)C(=O)c2cc(C(=O)N(C)[C@H]3CC[C@@H](C)C3)cc([N+](=O)[O-])c2)C1 ZINC000429255131 857577385 /nfs/dbraw/zinc/57/73/85/857577385.db2.gz MCSOBIFKJKNCER-LTDCPUDJSA-N 0 0 401.507 4.116 20 5 HIBDRN CCCc1c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cnn1-c1ccccc1C ZINC000429268085 857583635 /nfs/dbraw/zinc/58/36/35/857583635.db2.gz QHPXCLYMMIGLBP-UHFFFAOYSA-N 0 0 424.457 4.311 20 5 HIBDRN COc1ccc(Br)c(CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000429282456 857590004 /nfs/dbraw/zinc/59/00/04/857590004.db2.gz BTKHPBDEHXDPAL-UHFFFAOYSA-N 0 0 406.236 4.139 20 5 HIBDRN CSC[C@H]1CCCN([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000429286582 857591919 /nfs/dbraw/zinc/59/19/19/857591919.db2.gz SDKRPYJRCNWXIY-KBPBESRZSA-N 0 0 420.560 4.120 20 5 HIBDRN CCOc1cccc2[nH]cc(CC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)c21 ZINC000437625608 862945656 /nfs/dbraw/zinc/94/56/56/862945656.db2.gz PIQSHWZOAYIVCE-UHFFFAOYSA-N 0 0 405.357 4.257 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000429509977 857706396 /nfs/dbraw/zinc/70/63/96/857706396.db2.gz HAHVVQSXPZFNSV-UHFFFAOYSA-N 0 0 420.256 4.468 20 5 HIBDRN CCOC(=O)c1csc(C2CCN(Cc3ccc([N+](=O)[O-])c(OCC)c3)CC2)n1 ZINC000429555635 857747115 /nfs/dbraw/zinc/74/71/15/857747115.db2.gz BAHHOMUMRLAUAL-UHFFFAOYSA-N 0 0 419.503 4.006 20 5 HIBDRN COCCOc1ccc(Br)cc1NCc1ccc([N+](=O)[O-])cc1OC ZINC000429786194 857885151 /nfs/dbraw/zinc/88/51/51/857885151.db2.gz SVFRDKBDNPDRTE-UHFFFAOYSA-N 0 0 411.252 4.003 20 5 HIBDRN COCCCCN(Cc1ccccc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429843598 857907426 /nfs/dbraw/zinc/90/74/26/857907426.db2.gz TXRUOOFAJAXDNQ-UHFFFAOYSA-N 0 0 421.291 4.426 20 5 HIBDRN Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429844346 857907534 /nfs/dbraw/zinc/90/75/34/857907534.db2.gz ABZPQXHRCWMRKX-CYBMUJFWSA-N 0 0 407.264 4.171 20 5 HIBDRN O=C(NCc1ccc(Br)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429848158 857909403 /nfs/dbraw/zinc/90/94/03/857909403.db2.gz FEKDJQNAFBULDZ-UHFFFAOYSA-N 0 0 414.053 4.050 20 5 HIBDRN COCCN(CCCc1ccccc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429851610 857910915 /nfs/dbraw/zinc/91/09/15/857910915.db2.gz QULAOEYHPUSYCQ-UHFFFAOYSA-N 0 0 421.291 4.079 20 5 HIBDRN CCOc1cc2c(cc1OCC)CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])CC2 ZINC000429898330 857933680 /nfs/dbraw/zinc/93/36/80/857933680.db2.gz AHRJATJWMZYQMV-UHFFFAOYSA-N 0 0 412.486 4.255 20 5 HIBDRN C[C@H](Cc1ccc(Br)cc1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429902293 857935922 /nfs/dbraw/zinc/93/59/22/857935922.db2.gz VSTXICONNDTRMD-CYBMUJFWSA-N 0 0 405.292 4.382 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000429932642 857956265 /nfs/dbraw/zinc/95/62/65/857956265.db2.gz YWBYHKPRPIIOCV-SECBINFHSA-N 0 0 415.190 4.450 20 5 HIBDRN O=C(NCCCSc1ccc(F)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429934141 857957073 /nfs/dbraw/zinc/95/70/73/857957073.db2.gz QIZCCTNEYRHMGT-UHFFFAOYSA-N 0 0 413.268 4.409 20 5 HIBDRN COc1cc(OC)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000429963247 857973055 /nfs/dbraw/zinc/97/30/55/857973055.db2.gz KGFZGNYSIFREFP-UHFFFAOYSA-N 0 0 415.627 4.280 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000430051756 858013076 /nfs/dbraw/zinc/01/30/76/858013076.db2.gz NCWNTXPZZHIDAA-UHFFFAOYSA-N 0 0 423.263 4.163 20 5 HIBDRN O=C(NCCC1Cc2ccccc2C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000430103081 858032786 /nfs/dbraw/zinc/03/27/86/858032786.db2.gz BJFUVKJVNLGUSV-UHFFFAOYSA-N 0 0 418.443 4.494 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000430213284 858084403 /nfs/dbraw/zinc/08/44/03/858084403.db2.gz SSCURAAXTFCFDQ-FQEVSTJZSA-N 0 0 415.877 4.205 20 5 HIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000430394212 858144111 /nfs/dbraw/zinc/14/41/11/858144111.db2.gz AXKUXGSFMAKIBT-UHFFFAOYSA-N 0 0 413.474 4.183 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CCC(c4ccncc4)CC3)cc2[N+](=O)[O-])CC1 ZINC000430431388 858158569 /nfs/dbraw/zinc/15/85/69/858158569.db2.gz WKRSBMLZBDJIFE-UHFFFAOYSA-N 0 0 408.502 4.246 20 5 HIBDRN C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000430439766 858164798 /nfs/dbraw/zinc/16/47/98/858164798.db2.gz QEGKEZZYEPMVIK-NSHDSACASA-N 0 0 418.862 4.268 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430446705 858169253 /nfs/dbraw/zinc/16/92/53/858169253.db2.gz GOTGNJRZPBDAMU-FQEVSTJZSA-N 0 0 409.486 4.033 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000430479221 858188365 /nfs/dbraw/zinc/18/83/65/858188365.db2.gz CFMUQQSWCDXXIZ-INIZCTEOSA-N 0 0 424.375 4.426 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000430499977 858201050 /nfs/dbraw/zinc/20/10/50/858201050.db2.gz ONTVQACMSBGKHE-HIFRSBDPSA-N 0 0 405.907 4.124 20 5 HIBDRN CC[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Oc1cccc(C)c1 ZINC000430627056 858240568 /nfs/dbraw/zinc/24/05/68/858240568.db2.gz LYNKRLIXKJQQKG-CQSZACIVSA-N 0 0 407.264 4.253 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000430637225 858243383 /nfs/dbraw/zinc/24/33/83/858243383.db2.gz BZEIPCPHDMZCEG-LBPRGKRZSA-N 0 0 415.247 4.034 20 5 HIBDRN Cc1ccccc1[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000430643542 858245511 /nfs/dbraw/zinc/24/55/11/858245511.db2.gz RPJCEWOZCVAICT-SCLBCKFNSA-N 0 0 419.275 4.268 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC000430648069 858247318 /nfs/dbraw/zinc/24/73/18/858247318.db2.gz YUCVOAYKQLVTLK-OAHLLOKOSA-N 0 0 419.275 4.036 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000430668106 858259634 /nfs/dbraw/zinc/25/96/34/858259634.db2.gz XAMJNYSHJBRVMO-YUNKPMOVSA-N 0 0 402.422 4.195 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)ccc1[N+](=O)[O-] ZINC000430784302 858303962 /nfs/dbraw/zinc/30/39/62/858303962.db2.gz HLGXAVSJBYZAAR-UHFFFAOYSA-N 0 0 404.382 4.124 20 5 HIBDRN CC(C)N1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@@H]1c1ccc(Br)cc1 ZINC000430909528 858366224 /nfs/dbraw/zinc/36/62/24/858366224.db2.gz ONWUKKYTPMSDMF-INIZCTEOSA-N 0 0 418.247 4.276 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000431073725 858435438 /nfs/dbraw/zinc/43/54/38/858435438.db2.gz LRYHXJRZLNJQJX-OAQYLSRUSA-N 0 0 418.515 4.093 20 5 HIBDRN CCOc1cc(NC(=O)NC(C)(C)c2ncc(C)s2)c([N+](=O)[O-])cc1OCC ZINC000431075700 858436327 /nfs/dbraw/zinc/43/63/27/858436327.db2.gz GGYLSAYHGYLKDO-UHFFFAOYSA-N 0 0 408.480 4.214 20 5 HIBDRN CC(C)(NC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000431079482 858438070 /nfs/dbraw/zinc/43/80/70/858438070.db2.gz YRXBHYBTEHNFBK-UHFFFAOYSA-N 0 0 405.838 4.466 20 5 HIBDRN O=C(NC[C@H]1CCC(F)(F)C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000431086447 858441183 /nfs/dbraw/zinc/44/11/83/858441183.db2.gz SWKWTEMMQHSFIJ-VIFPVBQESA-N 0 0 419.215 4.253 20 5 HIBDRN COC(=O)CCCN(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000431111674 858451183 /nfs/dbraw/zinc/45/11/83/858451183.db2.gz MIPDYRVUWOXJSY-UHFFFAOYSA-N 0 0 424.375 4.209 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000431132687 858461144 /nfs/dbraw/zinc/46/11/44/858461144.db2.gz NPNRYSKVFBAPLQ-XJKSGUPXSA-N 0 0 409.667 4.226 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)c1[N+](=O)[O-] ZINC000431132009 858461618 /nfs/dbraw/zinc/46/16/18/858461618.db2.gz HLKJPQOUOQZQJA-GXTWGEPZSA-N 0 0 407.289 4.365 20 5 HIBDRN O=C(Nc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1)C1CC1 ZINC000437687529 863025888 /nfs/dbraw/zinc/02/58/88/863025888.db2.gz QVODDNUPSLACAB-UHFFFAOYSA-N 0 0 424.457 4.019 20 5 HIBDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437687574 863026617 /nfs/dbraw/zinc/02/66/17/863026617.db2.gz LFZUPBKTLZLPTO-UHFFFAOYSA-N 0 0 419.485 4.272 20 5 HIBDRN COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000431156202 858475703 /nfs/dbraw/zinc/47/57/03/858475703.db2.gz DZJVPXPMNPCPAF-OAHLLOKOSA-N 0 0 423.238 4.482 20 5 HIBDRN C[C@H](c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1)N1CCOCC1 ZINC000431174321 858487065 /nfs/dbraw/zinc/48/70/65/858487065.db2.gz BCGRMDMOIDCTTF-MRXNPFEDSA-N 0 0 412.490 4.045 20 5 HIBDRN Cc1c(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc(Br)cc1[N+](=O)[O-] ZINC000431179422 858490318 /nfs/dbraw/zinc/49/03/18/858490318.db2.gz MEFRMIYFRWNXEA-UHFFFAOYSA-N 0 0 418.247 4.148 20 5 HIBDRN COC(=O)CC1(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CCCC1 ZINC000431180255 858490333 /nfs/dbraw/zinc/49/03/33/858490333.db2.gz IVPXJSSDAPOCTG-UHFFFAOYSA-N 0 0 413.268 4.118 20 5 HIBDRN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1C ZINC000431180956 858491278 /nfs/dbraw/zinc/49/12/78/858491278.db2.gz INJFYDQRZVZXHO-UHFFFAOYSA-N 0 0 424.251 4.040 20 5 HIBDRN COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431182135 858492014 /nfs/dbraw/zinc/49/20/14/858492014.db2.gz MHBZJXNNNTXAFW-NSHDSACASA-N 0 0 421.247 4.179 20 5 HIBDRN Cc1c(NC(=O)[C@H]2CCCN2c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000431183675 858492830 /nfs/dbraw/zinc/49/28/30/858492830.db2.gz QBIBMWZADNMNDZ-MRXNPFEDSA-N 0 0 404.264 4.273 20 5 HIBDRN Cc1c(NC(=O)c2csc([C@H]3CCCO3)n2)cc(Br)cc1[N+](=O)[O-] ZINC000431185594 858494249 /nfs/dbraw/zinc/49/42/49/858494249.db2.gz ZLSJLVSSOQIERO-CYBMUJFWSA-N 0 0 412.265 4.226 20 5 HIBDRN Cc1cc2c(cc1C)[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)CO2 ZINC000431220798 858513085 /nfs/dbraw/zinc/51/30/85/858513085.db2.gz CAHOMNLYQDXHRR-CQSZACIVSA-N 0 0 405.248 4.397 20 5 HIBDRN CCCNC(=O)c1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431229226 858517884 /nfs/dbraw/zinc/51/78/84/858517884.db2.gz CHVYANGNOVIKSG-UHFFFAOYSA-N 0 0 420.263 4.058 20 5 HIBDRN Cc1nc2ccccc2n1CCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437696191 863033189 /nfs/dbraw/zinc/03/31/89/863033189.db2.gz DYQFFFDFEOMSQN-UHFFFAOYSA-N 0 0 407.474 4.017 20 5 HIBDRN CCCn1ncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1C1CC1 ZINC000431245756 858527721 /nfs/dbraw/zinc/52/77/21/858527721.db2.gz ADHBJORTCAXHQD-UHFFFAOYSA-N 0 0 407.268 4.402 20 5 HIBDRN Cc1c(NC(=O)c2ccn(-c3ccccc3F)n2)cc(Br)cc1[N+](=O)[O-] ZINC000431245307 858527953 /nfs/dbraw/zinc/52/79/53/858527953.db2.gz FJOVPLSNJHWKLW-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN Cc1onc(-c2ccccn2)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431247161 858528510 /nfs/dbraw/zinc/52/85/10/858528510.db2.gz DRAHDXZMKGLIJL-UHFFFAOYSA-N 0 0 417.219 4.276 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000431253203 858532476 /nfs/dbraw/zinc/53/24/76/858532476.db2.gz QOUKCJRFHKDNCW-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000431263280 858538252 /nfs/dbraw/zinc/53/82/52/858538252.db2.gz ACBWUZUBMTXMCK-XFQAVAEZSA-N 0 0 422.547 4.286 20 5 HIBDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431397177 858594016 /nfs/dbraw/zinc/59/40/16/858594016.db2.gz BGHFISADXVSHHO-UHFFFAOYSA-N 0 0 412.490 4.346 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccccc3SC)CC2)ccc1[N+](=O)[O-] ZINC000431434220 858612670 /nfs/dbraw/zinc/61/26/70/858612670.db2.gz MOXOXVGYRHPEAT-UHFFFAOYSA-N 0 0 416.503 4.070 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3F)CC2)ccc1[N+](=O)[O-] ZINC000431437141 858613680 /nfs/dbraw/zinc/61/36/80/858613680.db2.gz YXLURUBGMUWICM-UHFFFAOYSA-N 0 0 422.844 4.140 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(OC2CCCCC2)CC1 ZINC000431446949 858619743 /nfs/dbraw/zinc/61/97/43/858619743.db2.gz DNYVCAAGOFFBFG-UHFFFAOYSA-N 0 0 411.296 4.311 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000431461192 858627700 /nfs/dbraw/zinc/62/77/00/858627700.db2.gz ZMYKDZFMQQVGCO-ZDUSSCGKSA-N 0 0 407.239 4.201 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3F)CC2)ccc1[N+](=O)[O-] ZINC000431470891 858632029 /nfs/dbraw/zinc/63/20/29/858632029.db2.gz LFXDFBJDXANTLH-UHFFFAOYSA-N 0 0 422.844 4.140 20 5 HIBDRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431472189 858632814 /nfs/dbraw/zinc/63/28/14/858632814.db2.gz NODPKXZDNVLESH-UKRRQHHQSA-N 0 0 403.276 4.451 20 5 HIBDRN Cc1ccc(-c2nc(CNC(=O)c3cc(Br)cc([N+](=O)[O-])c3)co2)cc1 ZINC000431481971 858638035 /nfs/dbraw/zinc/63/80/35/858638035.db2.gz IPMISFRLUWHCSX-UHFFFAOYSA-N 0 0 416.231 4.251 20 5 HIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431512023 858650167 /nfs/dbraw/zinc/65/01/67/858650167.db2.gz MRVZNVDLBNPUQV-LBPRGKRZSA-N 0 0 407.264 4.069 20 5 HIBDRN CC(C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000431532926 858659312 /nfs/dbraw/zinc/65/93/12/858659312.db2.gz PJWCMOHOMUYFOC-MRXNPFEDSA-N 0 0 406.280 4.224 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000431644587 858708702 /nfs/dbraw/zinc/70/87/02/858708702.db2.gz UAAHAEUEEJPERJ-MRXNPFEDSA-N 0 0 423.473 4.250 20 5 HIBDRN COc1cc(Cl)cc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 ZINC000431686149 858739950 /nfs/dbraw/zinc/73/99/50/858739950.db2.gz MJSYHUBXRYDOQR-QGZVFWFLSA-N 0 0 420.849 4.070 20 5 HIBDRN C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC000431736345 858774919 /nfs/dbraw/zinc/77/49/19/858774919.db2.gz NMXSZABYQRAZNC-LBPRGKRZSA-N 0 0 415.837 4.201 20 5 HIBDRN Cc1ccccc1OCCCN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431771120 858804049 /nfs/dbraw/zinc/80/40/49/858804049.db2.gz HMQIJEOSJXISSM-UHFFFAOYSA-N 0 0 407.264 4.207 20 5 HIBDRN CC(C)(NC(=O)NCc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000431774526 858805875 /nfs/dbraw/zinc/80/58/75/858805875.db2.gz YYCDWDZOOBWZOA-UHFFFAOYSA-N 0 0 410.243 4.231 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000431776912 858806747 /nfs/dbraw/zinc/80/67/47/858806747.db2.gz UVZPMGSICKTMAJ-QGZVFWFLSA-N 0 0 405.248 4.343 20 5 HIBDRN C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000431791577 858813637 /nfs/dbraw/zinc/81/36/37/858813637.db2.gz PFMFANRRABCTTM-CQSZACIVSA-N 0 0 410.474 4.239 20 5 HIBDRN COc1cc(C(=O)NCC2CCC(C(C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000431856010 858841671 /nfs/dbraw/zinc/84/16/71/858841671.db2.gz UPBBNAYDOAXQCH-UHFFFAOYSA-N 0 0 400.422 4.397 20 5 HIBDRN Cc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000431896382 858859977 /nfs/dbraw/zinc/85/99/77/858859977.db2.gz OLCHQUDVSLTZTC-UHFFFAOYSA-N 0 0 413.437 4.332 20 5 HIBDRN O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431945053 858881926 /nfs/dbraw/zinc/88/19/26/858881926.db2.gz ZUXDCIOXBNJANV-SJORKVTESA-N 0 0 405.248 4.007 20 5 HIBDRN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431945051 858881966 /nfs/dbraw/zinc/88/19/66/858881966.db2.gz ZUXDCIOXBNJANV-IAGOWNOFSA-N 0 0 405.248 4.007 20 5 HIBDRN O=[N+]([O-])c1sc(N(Cc2cccnc2)C2CC2)nc1N(Cc1cccnc1)C1CC1 ZINC000432135565 859010409 /nfs/dbraw/zinc/01/04/09/859010409.db2.gz JQPMUEVHDFAZQM-UHFFFAOYSA-N 0 0 422.514 4.179 20 5 HIBDRN O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000432182733 859035473 /nfs/dbraw/zinc/03/54/73/859035473.db2.gz QONFYXDVVIJFCK-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)o1 ZINC000432191813 859039656 /nfs/dbraw/zinc/03/96/56/859039656.db2.gz KPJPYMLXZSQLDO-RDTXWAMCSA-N 0 0 409.442 4.423 20 5 HIBDRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)o1 ZINC000432191812 859040056 /nfs/dbraw/zinc/04/00/56/859040056.db2.gz KPJPYMLXZSQLDO-KSSFIOAISA-N 0 0 409.442 4.423 20 5 HIBDRN 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COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc3c(c2)COC3)cc1 ZINC000432714546 859313480 /nfs/dbraw/zinc/31/34/80/859313480.db2.gz UCUWXPVHKKOYDG-UHFFFAOYSA-N 0 0 420.421 4.356 20 5 HIBDRN C[C@@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCS1(=O)=O ZINC000432794269 859364017 /nfs/dbraw/zinc/36/40/17/859364017.db2.gz ALJBHJAGPNOJLX-CQSZACIVSA-N 0 0 424.906 4.050 20 5 HIBDRN C[C@@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCS1(=O)=O ZINC000432801053 859367175 /nfs/dbraw/zinc/36/71/75/859367175.db2.gz SNYADLJYSWOOID-CQSZACIVSA-N 0 0 424.906 4.050 20 5 HIBDRN CC(C)(NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1)c1ccccc1[N+](=O)[O-] ZINC000432821899 859375643 /nfs/dbraw/zinc/37/56/43/859375643.db2.gz DGLIZJYMEPDSSW-UHFFFAOYSA-N 0 0 408.414 4.497 20 5 HIBDRN CCc1cc(NC(=O)c2nc(C)oc2-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000432995471 859469712 /nfs/dbraw/zinc/46/97/12/859469712.db2.gz XNNXZYAUCQKQMQ-UHFFFAOYSA-N 0 0 402.410 4.343 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC000433012053 859477555 /nfs/dbraw/zinc/47/75/55/859477555.db2.gz RBNAHWMVPSBGLQ-UHFFFAOYSA-N 0 0 401.438 4.264 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CC[S@@](=O)CC[C@H]3C)cc2[N+](=O)[O-])cc1 ZINC000433033571 859490782 /nfs/dbraw/zinc/49/07/82/859490782.db2.gz QCMDMFWIOIGYKH-JWIGPWBQSA-N 0 0 404.557 4.397 20 5 HIBDRN C[C@@H]1CC[S@@](=O)CCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000433034954 859492199 /nfs/dbraw/zinc/49/21/99/859492199.db2.gz VAVGTCFYDOEDNE-LOKFHWFJSA-N 0 0 408.907 4.383 20 5 HIBDRN C[C@@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[S@@]1=O ZINC000433035995 859492926 /nfs/dbraw/zinc/49/29/26/859492926.db2.gz PWZTUTJKLFAKSU-ASHKIFAZSA-N 0 0 408.907 4.383 20 5 HIBDRN Cc1cnc(C2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CC2)s1 ZINC000433043373 859495632 /nfs/dbraw/zinc/49/56/32/859495632.db2.gz ISLXESOYBKLNRV-UHFFFAOYSA-N 0 0 408.911 4.145 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CC[C@H](C)[S@@](=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000433040631 859496084 /nfs/dbraw/zinc/49/60/84/859496084.db2.gz RLMNSBCLWOOIOR-OQRWROFFSA-N 0 0 404.557 4.397 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(C)Cc2ccc(F)c(Cl)c2)c(C)c([N+](=O)[O-])c1 ZINC000433111003 859524609 /nfs/dbraw/zinc/52/46/09/859524609.db2.gz RAFMKJOKYANUJJ-UHFFFAOYSA-N 0 0 409.801 4.146 20 5 HIBDRN Cc1c(F)ccc(Cl)c1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433169268 859551413 /nfs/dbraw/zinc/55/14/13/859551413.db2.gz WEZHOWTWTDTHHD-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000433415442 859687023 /nfs/dbraw/zinc/68/70/23/859687023.db2.gz TUUITURITGKDPJ-UHFFFAOYSA-N 0 0 415.400 4.330 20 5 HIBDRN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000433545626 859767676 /nfs/dbraw/zinc/76/76/76/859767676.db2.gz SVLJCMATKIAKOV-BXKMTCNYSA-N 0 0 412.489 4.005 20 5 HIBDRN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000433574534 859787473 /nfs/dbraw/zinc/78/74/73/859787473.db2.gz OLVTYAFVSTVNNV-KZULUSFZSA-N 0 0 424.375 4.000 20 5 HIBDRN CC(C)c1[nH]nc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)c1[N+](=O)[O-] ZINC000433627282 859815812 /nfs/dbraw/zinc/81/58/12/859815812.db2.gz ZBJUFVBWLLTNQY-UHFFFAOYSA-N 0 0 406.402 4.132 20 5 HIBDRN O=[N+]([O-])c1cc(F)cc(OCc2nc(Cc3cccc(Br)c3)no2)c1 ZINC000433632247 859818058 /nfs/dbraw/zinc/81/80/58/859818058.db2.gz NJZJZHQOGYFTSL-UHFFFAOYSA-N 0 0 408.183 4.049 20 5 HIBDRN CSC1(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCC1 ZINC000433706135 859846098 /nfs/dbraw/zinc/84/60/98/859846098.db2.gz CNTVGUIEUVUQJT-CQSZACIVSA-N 0 0 400.504 4.178 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)c1 ZINC000433718955 859852501 /nfs/dbraw/zinc/85/25/01/859852501.db2.gz PDBCOHOIJJAMAI-UHFFFAOYSA-N 0 0 417.259 4.448 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)c1[N+](=O)[O-] ZINC000433747313 859872957 /nfs/dbraw/zinc/87/29/57/859872957.db2.gz LKMULIDUURWWCE-UHFFFAOYSA-N 0 0 423.458 4.003 20 5 HIBDRN COc1cc(-c2noc(Cn3ccc4c3cccc4[N+](=O)[O-])n2)ccc1OC(F)F ZINC000433754395 859876995 /nfs/dbraw/zinc/87/69/95/859876995.db2.gz VCFXECIJVPKACK-UHFFFAOYSA-N 0 0 416.340 4.258 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1[N+](=O)[O-] ZINC000433833468 859921743 /nfs/dbraw/zinc/92/17/43/859921743.db2.gz YRQAPWLKUGRHKR-UHFFFAOYSA-N 0 0 407.402 4.019 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000433994135 860024280 /nfs/dbraw/zinc/02/42/80/860024280.db2.gz QMVFIZFTANDHAG-LBPRGKRZSA-N 0 0 424.320 4.065 20 5 HIBDRN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000434200981 860187089 /nfs/dbraw/zinc/18/70/89/860187089.db2.gz NAYDRYXGKGDAPR-PIGZYNQJSA-N 0 0 407.373 4.052 20 5 HIBDRN Cn1cc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000434239022 860221900 /nfs/dbraw/zinc/22/19/00/860221900.db2.gz ZEPKYCXFHODSRQ-FQEVSTJZSA-N 0 0 404.470 4.261 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N[C@@H](COCc2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000434247245 860227655 /nfs/dbraw/zinc/22/76/55/860227655.db2.gz WRJNOTTUFWBGMY-SFHVURJKSA-N 0 0 408.458 4.129 20 5 HIBDRN CCSCC[C@H](C)N(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000434292003 860258029 /nfs/dbraw/zinc/25/80/29/860258029.db2.gz IKKYZIQQICPLMZ-AWEZNQCLSA-N 0 0 404.536 4.060 20 5 HIBDRN CC(C)Oc1ccc(Br)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000434322466 860283538 /nfs/dbraw/zinc/28/35/38/860283538.db2.gz VOIMOZOGWKQLAI-UHFFFAOYSA-N 0 0 409.236 4.162 20 5 HIBDRN CCC(=O)c1cccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 ZINC000434333720 860295406 /nfs/dbraw/zinc/29/54/06/860295406.db2.gz HAJMYZWDUIPBJX-UHFFFAOYSA-N 0 0 406.442 4.301 20 5 HIBDRN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000434495669 860372769 /nfs/dbraw/zinc/37/27/69/860372769.db2.gz YCKHFMPOIXYHDX-IBGZPJMESA-N 0 0 408.502 4.185 20 5 HIBDRN CN(C)c1nnc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc2)o1 ZINC000434831882 860511838 /nfs/dbraw/zinc/51/18/38/860511838.db2.gz PKHMZOYZZPDWSC-UHFFFAOYSA-N 0 0 409.446 4.261 20 5 HIBDRN CN(CCOc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434835816 860513667 /nfs/dbraw/zinc/51/36/67/860513667.db2.gz GUGRHKICGHPJGW-UHFFFAOYSA-N 0 0 406.236 4.009 20 5 HIBDRN COc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(OC)c(C)c1OC ZINC000434893029 860539584 /nfs/dbraw/zinc/53/95/84/860539584.db2.gz XYKGWLWGVLUNPC-UHFFFAOYSA-N 0 0 417.462 4.372 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(F)c(F)cc2Br)cc1[N+](=O)[O-] ZINC000435255929 860705262 /nfs/dbraw/zinc/70/52/62/860705262.db2.gz BRYIUOXLEVXPQN-UHFFFAOYSA-N 0 0 401.163 4.287 20 5 HIBDRN CS[C@@H]1CCCCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000435281329 860716084 /nfs/dbraw/zinc/71/60/84/860716084.db2.gz QQLKYQPECODJAZ-GFCCVEGCSA-N 0 0 408.467 4.450 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2COc3ccc(F)cc32)cc(Br)cc1[N+](=O)[O-] ZINC000435322911 860734821 /nfs/dbraw/zinc/73/48/21/860734821.db2.gz IAKAXUMXUBYYGU-CYBMUJFWSA-N 0 0 410.199 4.060 20 5 HIBDRN COCc1ccccc1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435323863 860735388 /nfs/dbraw/zinc/73/53/88/860735388.db2.gz PZYQISZFTRHNAV-UHFFFAOYSA-N 0 0 408.252 4.134 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2CCOc3ccc(F)cc32)cc(Br)cc1[N+](=O)[O-] ZINC000435323702 860735423 /nfs/dbraw/zinc/73/54/23/860735423.db2.gz OQJAGQZYRDOMJK-CYBMUJFWSA-N 0 0 424.226 4.450 20 5 HIBDRN Cc1c(NC(=O)N2CCC3(CCOCC3)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435327591 860738985 /nfs/dbraw/zinc/73/89/85/860738985.db2.gz HXNKSGRAUGSLPV-LBPRGKRZSA-N 0 0 412.284 4.089 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CC(C)(C)OC2(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435327764 860739197 /nfs/dbraw/zinc/73/91/97/860739197.db2.gz ISLZDIBZBJDTGC-ZDUSSCGKSA-N 0 0 400.273 4.133 20 5 HIBDRN COc1ccc(C2(NC(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)CC2)cc1 ZINC000435328397 860740036 /nfs/dbraw/zinc/74/00/36/860740036.db2.gz KWWUYGVAUWMRMR-UHFFFAOYSA-N 0 0 420.263 4.485 20 5 HIBDRN Cc1c(NC(=O)N[C@H](C)CCc2cccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000435328931 860740735 /nfs/dbraw/zinc/74/07/35/860740735.db2.gz NNMBEHQPKNWEHB-LLVKDONJSA-N 0 0 409.284 4.147 20 5 HIBDRN Cc1c(NC(=O)NCc2cc(F)cc(F)c2)cc(Br)cc1[N+](=O)[O-] ZINC000435330629 860741760 /nfs/dbraw/zinc/74/17/60/860741760.db2.gz VABUZMGLKYOOCC-UHFFFAOYSA-N 0 0 400.179 4.266 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C ZINC000435361592 860761923 /nfs/dbraw/zinc/76/19/23/860761923.db2.gz FZQKTOSQXVOMAB-XDHUDOTRSA-N 0 0 418.497 4.095 20 5 HIBDRN O=C(NCC1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435478703 860813927 /nfs/dbraw/zinc/81/39/27/860813927.db2.gz IGZMHYYZRMBVOM-UHFFFAOYSA-N 0 0 405.501 4.052 20 5 HIBDRN CCC[C@@H](C)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435490341 860819576 /nfs/dbraw/zinc/81/95/76/860819576.db2.gz OGZKPZPYTMHKKS-GFCCVEGCSA-N 0 0 407.517 4.393 20 5 HIBDRN O=C(NC[C@H]1CC=CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435501521 860824049 /nfs/dbraw/zinc/82/40/49/860824049.db2.gz LWZZWHDWGMYIIA-ZDUSSCGKSA-N 0 0 417.512 4.219 20 5 HIBDRN CC[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435506950 860827456 /nfs/dbraw/zinc/82/74/56/860827456.db2.gz XXVCKMYEWHAFPI-VXGBXAGGSA-N 0 0 407.517 4.297 20 5 HIBDRN COc1cccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000435522455 860838576 /nfs/dbraw/zinc/83/85/76/860838576.db2.gz MXAIUSHQVNWRKT-UHFFFAOYSA-N 0 0 421.240 4.407 20 5 HIBDRN COC(=O)c1ccccc1-c1ccccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000435533278 860848019 /nfs/dbraw/zinc/84/80/19/860848019.db2.gz IBLPYEWPQFYGOD-UHFFFAOYSA-N 0 0 404.422 4.321 20 5 HIBDRN O=C(NCc1ccsc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435535444 860850721 /nfs/dbraw/zinc/85/07/21/860850721.db2.gz FHTWSXRHBLSGES-UHFFFAOYSA-N 0 0 419.509 4.124 20 5 HIBDRN COc1cccc(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000435550699 860865623 /nfs/dbraw/zinc/86/56/23/860865623.db2.gz GZWPBTUOSJATGM-OAHLLOKOSA-N 0 0 419.437 4.347 20 5 HIBDRN COc1cccc(C(=O)NCc2ccc(OCc3cccc(C)c3)cc2)c1[N+](=O)[O-] ZINC000435555049 860874562 /nfs/dbraw/zinc/87/45/62/860874562.db2.gz VYUDZNSRWBPZDD-UHFFFAOYSA-N 0 0 406.438 4.421 20 5 HIBDRN O=c1c(Cl)c(N[C@H]2C[C@H](c3cccc(F)c3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000435587842 860897799 /nfs/dbraw/zinc/89/77/99/860897799.db2.gz GVMNXJCQZBDGOX-CTYIDZIISA-N 0 0 414.824 4.291 20 5 HIBDRN C[C@H](NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)OC(C)(C)C ZINC000435603308 860907704 /nfs/dbraw/zinc/90/77/04/860907704.db2.gz HJSWBRHQKHCXNW-ZDUSSCGKSA-N 0 0 401.419 4.239 20 5 HIBDRN CCOC(=O)c1c2ccccc2sc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435623217 860923992 /nfs/dbraw/zinc/92/39/92/860923992.db2.gz UJFAJLAHBDZYFY-UHFFFAOYSA-N 0 0 400.412 4.247 20 5 HIBDRN COc1cccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1[N+](=O)[O-] ZINC000435643381 860931027 /nfs/dbraw/zinc/93/10/27/860931027.db2.gz DFVMNTMCNNJUIH-UHFFFAOYSA-N 0 0 405.382 4.181 20 5 HIBDRN COc1cccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000435657932 860938934 /nfs/dbraw/zinc/93/89/34/860938934.db2.gz WKMCJBGEOGCFJF-UHFFFAOYSA-N 0 0 421.240 4.407 20 5 HIBDRN CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000435667056 860944961 /nfs/dbraw/zinc/94/49/61/860944961.db2.gz FZLHKBZRTAVMQB-OAHLLOKOSA-N 0 0 409.389 4.001 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)c1[N+](=O)[O-] ZINC000435716939 861001564 /nfs/dbraw/zinc/00/15/64/861001564.db2.gz JDLUMVXRVCVGBS-UHFFFAOYSA-N 0 0 417.849 4.135 20 5 HIBDRN COc1cccc(C(=O)NCC(C)(C)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000435718380 861003849 /nfs/dbraw/zinc/00/38/49/861003849.db2.gz DARGLMMNVXIZQC-UHFFFAOYSA-N 0 0 407.264 4.074 20 5 HIBDRN CCOC(=O)c1cc(N[C@@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)ccc1[N+](=O)[O-] ZINC000467784033 881604429 /nfs/dbraw/zinc/60/44/29/881604429.db2.gz GHGHNGXDHWOCBS-SGTLLEGYSA-N 0 0 413.430 4.054 20 5 HIBDRN Cc1nc(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)oc1-c1ccc(Cl)cc1 ZINC000435759544 861038990 /nfs/dbraw/zinc/03/89/90/861038990.db2.gz LAHZYXOJLGTMMJ-UHFFFAOYSA-N 0 0 415.833 4.215 20 5 HIBDRN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2nc(C3CCCCC3)cs2)C1=O ZINC000435787473 861061797 /nfs/dbraw/zinc/06/17/97/861061797.db2.gz NPWPOXQRWZLMHK-HXUWFJFHSA-N 0 0 414.487 4.066 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc3cccc(Br)c3n2)c1[N+](=O)[O-] ZINC000435814922 861080401 /nfs/dbraw/zinc/08/04/01/861080401.db2.gz ZRDJYVUJKJAUEU-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000435817154 861082644 /nfs/dbraw/zinc/08/26/44/861082644.db2.gz JTPUFONLNZRVQA-UHFFFAOYSA-N 0 0 408.404 4.240 20 5 HIBDRN CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435823524 861088252 /nfs/dbraw/zinc/08/82/52/861088252.db2.gz DMQGEIPXTPITJP-OCCSQVGLSA-N 0 0 419.528 4.441 20 5 HIBDRN O=C(N[C@@H]1CCOc2ccccc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435822976 861088953 /nfs/dbraw/zinc/08/89/53/861088953.db2.gz XDPXZWVUPCDPBK-GOSISDBHSA-N 0 0 406.388 4.213 20 5 HIBDRN COc1ccc(C)cc1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435830230 861093820 /nfs/dbraw/zinc/09/38/20/861093820.db2.gz COVBCDIRIFASTB-UHFFFAOYSA-N 0 0 422.431 4.249 20 5 HIBDRN CN(CCOc1ccccc1)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435834988 861096307 /nfs/dbraw/zinc/09/63/07/861096307.db2.gz KZOOJSIPSXORDT-UHFFFAOYSA-N 0 0 408.404 4.111 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1[N+](=O)[O-] ZINC000435855155 861114841 /nfs/dbraw/zinc/11/48/41/861114841.db2.gz ILNHQRARTNWXRH-UHFFFAOYSA-N 0 0 417.849 4.135 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000435903623 861160441 /nfs/dbraw/zinc/16/04/41/861160441.db2.gz SAVIPWADQLXNSQ-UHFFFAOYSA-N 0 0 408.785 4.401 20 5 HIBDRN CN(c1ccc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000435908331 861169725 /nfs/dbraw/zinc/16/97/25/861169725.db2.gz ODXPUNMOKYLMJW-UHFFFAOYSA-N 0 0 412.748 4.231 20 5 HIBDRN Cc1oc(-c2cnn(C)c2)nc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000437768299 863088053 /nfs/dbraw/zinc/08/80/53/863088053.db2.gz BPPIRCVGAGKPII-UHFFFAOYSA-N 0 0 417.425 4.139 20 5 HIBDRN CN(Cc1cnccn1)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000467801190 881626039 /nfs/dbraw/zinc/62/60/39/881626039.db2.gz ZGAYZKGBHMCKGS-UHFFFAOYSA-N 0 0 414.874 4.462 20 5 HIBDRN COc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000467809462 881635515 /nfs/dbraw/zinc/63/55/15/881635515.db2.gz NSGLWWJUPSOPDX-UHFFFAOYSA-N 0 0 408.458 4.017 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2OC)cc([N+](=O)[O-])c1 ZINC000437898025 863268787 /nfs/dbraw/zinc/26/87/87/863268787.db2.gz FEOQSYSEGILACO-UHFFFAOYSA-N 0 0 422.393 4.435 20 5 HIBDRN O=C(Nc1nc(CN2CCCCC2)cs1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437911343 863286794 /nfs/dbraw/zinc/28/67/94/863286794.db2.gz BDXQCICCTUYJPU-UHFFFAOYSA-N 0 0 414.409 4.308 20 5 HIBDRN O=C(NCc1ccnc(OC2CCCC2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437927327 863304140 /nfs/dbraw/zinc/30/41/40/863304140.db2.gz OZOQMXGJRPKNNV-UHFFFAOYSA-N 0 0 410.474 4.185 20 5 HIBDRN CO[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000437957153 863329419 /nfs/dbraw/zinc/32/94/19/863329419.db2.gz ABOJVIPKTPTOBE-IBGZPJMESA-N 0 0 403.866 4.310 20 5 HIBDRN COc1cc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000437978138 863345596 /nfs/dbraw/zinc/34/55/96/863345596.db2.gz LZSBULADDCJBGQ-CYBMUJFWSA-N 0 0 412.311 4.056 20 5 HIBDRN CCN(Cc1ccccn1)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000437983978 863350631 /nfs/dbraw/zinc/35/06/31/863350631.db2.gz DNHNQJLPMDYVTJ-MRXNPFEDSA-N 0 0 405.458 4.220 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1noc(-c2ccccc2)n1 ZINC000437984920 863350656 /nfs/dbraw/zinc/35/06/56/863350656.db2.gz HLGQIDWPAAIHJA-AWEZNQCLSA-N 0 0 407.430 4.080 20 5 HIBDRN O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438044478 863404033 /nfs/dbraw/zinc/40/40/33/863404033.db2.gz MTCYYFJTGZEVIZ-IFMALSPDSA-N 0 0 409.486 4.407 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)NCC3([S@](C)=O)CCC3)cc2[N+](=O)[O-])cc1 ZINC000438113384 863529867 /nfs/dbraw/zinc/52/98/67/863529867.db2.gz BIPFYXRULWQUJO-NDEPHWFRSA-N 0 0 418.540 4.085 20 5 HIBDRN O=C(Nc1ccccc1)N1CCC(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000438133709 863553424 /nfs/dbraw/zinc/55/34/24/863553424.db2.gz PHKWCGNASRUKNZ-UHFFFAOYSA-N 0 0 422.485 4.030 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)cc1SC ZINC000438142339 863562319 /nfs/dbraw/zinc/56/23/19/863562319.db2.gz GSXPLTPTBSWIDH-HNYWDRBLSA-N 0 0 402.472 4.008 20 5 HIBDRN Nc1c(C(=O)N2CCC(c3cccc(Br)c3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000467842297 881683572 /nfs/dbraw/zinc/68/35/72/881683572.db2.gz YDJNBXJAHNNSQM-UHFFFAOYSA-N 0 0 422.254 4.098 20 5 HIBDRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000438236919 863681591 /nfs/dbraw/zinc/68/15/91/863681591.db2.gz NAANKMOOBNYGHY-UHFFFAOYSA-N 0 0 422.363 4.077 20 5 HIBDRN CCOc1cc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000438471243 863890547 /nfs/dbraw/zinc/89/05/47/863890547.db2.gz KXSQKEZKXMRVLR-NWDGAFQWSA-N 0 0 404.385 4.101 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCCC(C)(C)C1 ZINC000438505610 863927597 /nfs/dbraw/zinc/92/75/97/863927597.db2.gz CTSJKRMWHBECJF-QGZVFWFLSA-N 0 0 409.914 4.041 20 5 HIBDRN O=c1nc(CN2CCc3ccc([N+](=O)[O-])cc3C2)[nH]c2scc(-c3ccco3)c21 ZINC000438522244 863948356 /nfs/dbraw/zinc/94/83/56/863948356.db2.gz FVTIOGUODZAQCB-UHFFFAOYSA-N 0 0 408.439 4.123 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000467860418 881712664 /nfs/dbraw/zinc/71/26/64/881712664.db2.gz ABVBRJCFEVOFQM-SFHVURJKSA-N 0 0 410.470 4.006 20 5 HIBDRN CC1CCN(c2ccc(C(=O)NC3CCC4(CCOCC4)CC3)cc2[N+](=O)[O-])CC1 ZINC000438533427 863959422 /nfs/dbraw/zinc/95/94/22/863959422.db2.gz YZQWICVZKUGFHB-UHFFFAOYSA-N 0 0 415.534 4.300 20 5 HIBDRN Cc1ccc(NC(=O)Cc2nc(CN3CCc4ccc([N+](=O)[O-])cc4C3)cs2)cc1 ZINC000438534058 863959584 /nfs/dbraw/zinc/95/95/84/863959584.db2.gz UIOXHQMRKFJKTF-UHFFFAOYSA-N 0 0 422.510 4.099 20 5 HIBDRN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000438546454 863974401 /nfs/dbraw/zinc/97/44/01/863974401.db2.gz MFBNAIOILWRGAV-ZJUUUORDSA-N 0 0 409.202 4.456 20 5 HIBDRN CCc1nc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])sc1C ZINC000438551571 863982241 /nfs/dbraw/zinc/98/22/41/863982241.db2.gz FHCFGJVBGKKZPL-OAHLLOKOSA-N 0 0 420.491 4.127 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccsc1Cl ZINC000438572488 864005712 /nfs/dbraw/zinc/00/57/12/864005712.db2.gz RFIYMTVGTHYSJA-CYBMUJFWSA-N 0 0 416.286 4.356 20 5 HIBDRN O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000438684692 864150744 /nfs/dbraw/zinc/15/07/44/864150744.db2.gz KTRBKJVPJRTIRH-CABCVRRESA-N 0 0 403.276 4.499 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCn4cccc4[C@H]3c3ccccc3)o2)cc1 ZINC000438704660 864180598 /nfs/dbraw/zinc/18/05/98/864180598.db2.gz RPBOANCJUZHZES-OAQYLSRUSA-N 0 0 401.426 4.052 20 5 HIBDRN C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)C1 ZINC000438723998 864208090 /nfs/dbraw/zinc/20/80/90/864208090.db2.gz PONRCNMSXSSRFF-YWZLYKJASA-N 0 0 411.458 4.267 20 5 HIBDRN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000438831159 864326105 /nfs/dbraw/zinc/32/61/05/864326105.db2.gz QQXHQICTDVXWID-CYBMUJFWSA-N 0 0 417.487 4.380 20 5 HIBDRN Cc1c(CC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC000438832499 864326350 /nfs/dbraw/zinc/32/63/50/864326350.db2.gz UXJRKNOYLZLROY-UHFFFAOYSA-N 0 0 417.303 4.398 20 5 HIBDRN COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1OCc1ccncc1 ZINC000438897460 864379974 /nfs/dbraw/zinc/37/99/74/864379974.db2.gz VACPTPFREOFGAH-UHFFFAOYSA-N 0 0 407.426 4.067 20 5 HIBDRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3C)c2)cc1 ZINC000438899010 864381081 /nfs/dbraw/zinc/38/10/81/864381081.db2.gz UVHPQHCGNDDPQJ-UHFFFAOYSA-N 0 0 417.465 4.323 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000438905404 864384468 /nfs/dbraw/zinc/38/44/68/864384468.db2.gz QVGZPLPJQQDQRD-UHFFFAOYSA-N 0 0 403.438 4.361 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1Br ZINC000438903769 864384966 /nfs/dbraw/zinc/38/49/66/864384966.db2.gz XGIQBDMIGBWEFS-GFCCVEGCSA-N 0 0 407.264 4.094 20 5 HIBDRN Cc1c(CC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cccc1[N+](=O)[O-] ZINC000438913537 864392312 /nfs/dbraw/zinc/39/23/12/864392312.db2.gz QXLPYZBCYOHDQF-KRWDZBQOSA-N 0 0 424.432 4.041 20 5 HIBDRN CCOC(=O)[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1cccc(C)c1C ZINC000438935309 864412408 /nfs/dbraw/zinc/41/24/08/864412408.db2.gz JGBVVKLAVJWUTR-GOSISDBHSA-N 0 0 404.850 4.208 20 5 HIBDRN CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000438938641 864414793 /nfs/dbraw/zinc/41/47/93/864414793.db2.gz PESUHLAXPGBLDT-UHFFFAOYSA-N 0 0 419.384 4.056 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])OC(C)C ZINC000438944705 864419373 /nfs/dbraw/zinc/41/93/73/864419373.db2.gz BUMNXRHQOUOWIV-GOSISDBHSA-N 0 0 406.866 4.461 20 5 HIBDRN COc1ccc(-c2nnc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])s2)cc1 ZINC000438950487 864422190 /nfs/dbraw/zinc/42/21/90/864422190.db2.gz QURHFFHIYFBKKJ-UHFFFAOYSA-N 0 0 404.835 4.336 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)cc1[N+](=O)[O-] ZINC000438953084 864423644 /nfs/dbraw/zinc/42/36/44/864423644.db2.gz ATOVZYNPZCJCHD-UHFFFAOYSA-N 0 0 421.295 4.155 20 5 HIBDRN Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)s1 ZINC000438962519 864431778 /nfs/dbraw/zinc/43/17/78/864431778.db2.gz QVZSHUOGBMQJJS-UHFFFAOYSA-N 0 0 415.515 4.123 20 5 HIBDRN COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000438967034 864433658 /nfs/dbraw/zinc/43/36/58/864433658.db2.gz YMSBHHKDRXPWLV-UHFFFAOYSA-N 0 0 410.470 4.462 20 5 HIBDRN COCCOc1ccc([C@@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1OC ZINC000438969812 864435670 /nfs/dbraw/zinc/43/56/70/864435670.db2.gz FFGWHDWYXLMSEA-OAHLLOKOSA-N 0 0 416.474 4.243 20 5 HIBDRN Cc1c(CC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cccc1[N+](=O)[O-] ZINC000439048335 864499950 /nfs/dbraw/zinc/49/99/50/864499950.db2.gz BWVOTUDWMJSRTA-IBGZPJMESA-N 0 0 419.884 4.192 20 5 HIBDRN Nc1c(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cc(F)cc1[N+](=O)[O-] ZINC000439094167 864536892 /nfs/dbraw/zinc/53/68/92/864536892.db2.gz IMEZICCFOXTPGZ-UHFFFAOYSA-N 0 0 410.789 4.484 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000439108857 864545714 /nfs/dbraw/zinc/54/57/14/864545714.db2.gz FOICDXHKBGRZLE-NSHDSACASA-N 0 0 408.838 4.073 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000439109885 864547051 /nfs/dbraw/zinc/54/70/51/864547051.db2.gz QOLVTMPIDQZLNG-UHFFFAOYSA-N 0 0 415.877 4.113 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000439110855 864547178 /nfs/dbraw/zinc/54/71/78/864547178.db2.gz JZYPXKDXKMBSGA-UHFFFAOYSA-N 0 0 406.826 4.390 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000439120535 864556743 /nfs/dbraw/zinc/55/67/43/864556743.db2.gz UYVXPLQJBLELQA-UHFFFAOYSA-N 0 0 413.449 4.348 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000439122221 864558182 /nfs/dbraw/zinc/55/81/82/864558182.db2.gz HSHKERRIDISBQF-GJZGRUSLSA-N 0 0 417.893 4.418 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000439154240 864585952 /nfs/dbraw/zinc/58/59/52/864585952.db2.gz RRBNYGZTCPYSAY-IBGZPJMESA-N 0 0 409.486 4.143 20 5 HIBDRN CCOCCOc1cc(C)ccc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439165580 864595283 /nfs/dbraw/zinc/59/52/83/864595283.db2.gz VZYLMCNSSSNFPX-UHFFFAOYSA-N 0 0 406.866 4.210 20 5 HIBDRN Cc1cc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439177693 864606051 /nfs/dbraw/zinc/60/60/51/864606051.db2.gz MDSACYCDDGIAHN-OFNKIYASSA-N 0 0 402.454 4.322 20 5 HIBDRN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439218074 864636498 /nfs/dbraw/zinc/63/64/98/864636498.db2.gz UERUIMXYXMHVSV-UHFFFAOYSA-N 0 0 419.865 4.056 20 5 HIBDRN CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000439221785 864639378 /nfs/dbraw/zinc/63/93/78/864639378.db2.gz IIUAQNANTGPMNW-UHFFFAOYSA-N 0 0 410.451 4.193 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3ccc(F)c(-c4nnc[nH]4)c3)cc2[N+](=O)[O-])CC1 ZINC000439277400 864695803 /nfs/dbraw/zinc/69/58/03/864695803.db2.gz UJKHBEDRCVPGMO-UHFFFAOYSA-N 0 0 424.436 4.008 20 5 HIBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N(CCO)C1CC1 ZINC000439294211 864717204 /nfs/dbraw/zinc/71/72/04/864717204.db2.gz KKGUEZKMIXWHCU-SSZFMOIBSA-N 0 0 423.494 4.119 20 5 HIBDRN COc1ccc(F)cc1-c1csc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000439306399 864734511 /nfs/dbraw/zinc/73/45/11/864734511.db2.gz XMXYYWGQEARMPV-UHFFFAOYSA-N 0 0 401.419 4.356 20 5 HIBDRN CC(=O)Nc1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1C ZINC000467940093 881810866 /nfs/dbraw/zinc/81/08/66/881810866.db2.gz WCOFVKWNIHSGED-UHFFFAOYSA-N 0 0 409.364 4.066 20 5 HIBDRN COc1ccc(CN2CCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000439419429 864825738 /nfs/dbraw/zinc/82/57/38/864825738.db2.gz KVAVYDOVJCZWQP-UHFFFAOYSA-N 0 0 411.502 4.075 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000439437460 864831702 /nfs/dbraw/zinc/83/17/02/864831702.db2.gz KNQVPSBIVJBKOR-OAHLLOKOSA-N 0 0 411.771 4.264 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCCC(F)(F)F)c1ccccc1 ZINC000439519241 864861040 /nfs/dbraw/zinc/86/10/40/864861040.db2.gz HQSPNCIJDBKZEI-HNNXBMFYSA-N 0 0 401.772 4.470 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000439564669 864889141 /nfs/dbraw/zinc/88/91/41/864889141.db2.gz YJBNAMMWYOMMKD-GXTWGEPZSA-N 0 0 410.396 4.340 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC(F)(F)C3)no2)c(I)c1 ZINC000439567915 864891146 /nfs/dbraw/zinc/89/11/46/864891146.db2.gz HRNWXZSBZUKOBQ-ZETCQYMHSA-N 0 0 421.141 4.152 20 5 HIBDRN CCC(=O)CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000467961916 881822486 /nfs/dbraw/zinc/82/24/86/881822486.db2.gz YXUJWOFBUBARNV-UHFFFAOYSA-N 0 0 412.389 4.474 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1-c1nc(CC(C)C)no1 ZINC000439657262 864983796 /nfs/dbraw/zinc/98/37/96/864983796.db2.gz AKIFVVVLGCHVFO-UHFFFAOYSA-N 0 0 415.837 4.452 20 5 HIBDRN CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000439696415 865032380 /nfs/dbraw/zinc/03/23/80/865032380.db2.gz SPDCHFBTRBKWPZ-BEFAXECRSA-N 0 0 421.519 4.196 20 5 HIBDRN CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467975022 881829870 /nfs/dbraw/zinc/82/98/70/881829870.db2.gz YDNYPBUFMWIYJN-UHFFFAOYSA-N 0 0 421.906 4.046 20 5 HIBDRN C[C@@H](O)CC(C)(C)CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000439736721 865069724 /nfs/dbraw/zinc/06/97/24/865069724.db2.gz XHJFIWTTYPEENP-CQSZACIVSA-N 0 0 419.909 4.387 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC000439752380 865082369 /nfs/dbraw/zinc/08/23/69/865082369.db2.gz UZJXHAGVGUUZEV-SFHVURJKSA-N 0 0 405.458 4.481 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000467988787 881835909 /nfs/dbraw/zinc/83/59/09/881835909.db2.gz QYNKEHBUXPCLHA-AWEZNQCLSA-N 0 0 419.865 4.028 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000439832926 865147156 /nfs/dbraw/zinc/14/71/56/865147156.db2.gz MLCHUNLGGLEQAE-MRXNPFEDSA-N 0 0 404.385 4.243 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000439899423 865210794 /nfs/dbraw/zinc/21/07/94/865210794.db2.gz KDOXMIWDLAYBEK-LJQANCHMSA-N 0 0 403.410 4.046 20 5 HIBDRN CCC[C@H](C)c1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n[nH]1 ZINC000439912888 865221133 /nfs/dbraw/zinc/22/11/33/865221133.db2.gz RFTILBDEQOKYSL-ZDUSSCGKSA-N 0 0 410.478 4.335 20 5 HIBDRN O=C(Nc1cc(Cl)c(Cl)cc1F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000439974506 865268754 /nfs/dbraw/zinc/26/87/54/865268754.db2.gz QTOQKSMLIQPWMK-UHFFFAOYSA-N 0 0 413.236 4.395 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440004836 865305943 /nfs/dbraw/zinc/30/59/43/865305943.db2.gz HUINGIFSZGXGSI-XMMPIXPASA-N 0 0 416.481 4.291 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N(C)[C@H]3CC[C@H](O)CC3)cc2[N+](=O)[O-])cc1 ZINC000440024732 865314707 /nfs/dbraw/zinc/31/47/07/865314707.db2.gz ILHACRMVUUQKJJ-QAQDUYKDSA-N 0 0 400.500 4.430 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC000440031182 865317090 /nfs/dbraw/zinc/31/70/90/865317090.db2.gz AQCGSZJPIAXWIO-UHFFFAOYSA-N 0 0 423.425 4.448 20 5 HIBDRN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000440041274 865322202 /nfs/dbraw/zinc/32/22/02/865322202.db2.gz ZUWGHGAVLNCPHU-BEVDRBHNSA-N 0 0 415.877 4.158 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1C)C(C)(C)C ZINC000440065783 865334655 /nfs/dbraw/zinc/33/46/55/865334655.db2.gz VZGVQJZYLDTIRA-IBGZPJMESA-N 0 0 413.474 4.144 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NC[C@@](C)(O)CCC(C)C)cc2[N+](=O)[O-])n1 ZINC000440164735 865392993 /nfs/dbraw/zinc/39/29/93/865392993.db2.gz XESDJBSLPLHCDG-IBGZPJMESA-N 0 0 423.560 4.428 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000468065816 881884196 /nfs/dbraw/zinc/88/41/96/881884196.db2.gz RMHFMENHSNXHSY-GOSISDBHSA-N 0 0 419.547 4.149 20 5 HIBDRN CN(C)[C@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000440431332 865733315 /nfs/dbraw/zinc/73/33/15/865733315.db2.gz WMHJECKLYAVVTD-QGZVFWFLSA-N 0 0 411.483 4.372 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000440452570 865755957 /nfs/dbraw/zinc/75/59/57/865755957.db2.gz NYWLAVIONFIFFT-CYBMUJFWSA-N 0 0 423.391 4.214 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)ccc1[N+](=O)[O-] ZINC000440465343 865769619 /nfs/dbraw/zinc/76/96/19/865769619.db2.gz CSIVWKXABPSDSM-UHFFFAOYSA-N 0 0 402.457 4.096 20 5 HIBDRN O=C(C1CC(F)(F)C1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000440567419 865820560 /nfs/dbraw/zinc/82/05/60/865820560.db2.gz HKDTVTSLLJJBGR-UHFFFAOYSA-N 0 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ZINC000441861405 866927186 /nfs/dbraw/zinc/92/71/86/866927186.db2.gz UQWLVLACRVHPGK-UHFFFAOYSA-N 0 0 405.410 4.059 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(NCc3cccc(COCC(F)(F)F)c3)cc2N1 ZINC000441943934 867009705 /nfs/dbraw/zinc/00/97/05/867009705.db2.gz HPFWXLQPFZTLBA-UHFFFAOYSA-N 0 0 409.364 4.171 20 5 HIBDRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000442128396 867150731 /nfs/dbraw/zinc/15/07/31/867150731.db2.gz PADQFSACCDFZNS-MEDUHNTESA-N 0 0 405.838 4.088 20 5 HIBDRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000442160110 867181123 /nfs/dbraw/zinc/18/11/23/867181123.db2.gz YDDZJZJBDASPLE-OAHLLOKOSA-N 0 0 419.437 4.086 20 5 HIBDRN CCCOc1cc(NC(=O)N2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OCCC ZINC000442225080 867255351 /nfs/dbraw/zinc/25/53/51/867255351.db2.gz WRMMAJJYFSQUCA-HOTGVXAUSA-N 0 0 421.494 4.063 20 5 HIBDRN C[C@H](Nc1ccc(-c2nc([C@H]3CCOC[C@H]3C)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000442669799 867606185 /nfs/dbraw/zinc/60/61/85/867606185.db2.gz DAEYYVAZHVOCTB-YCPHGPKFSA-N 0 0 409.446 4.353 20 5 HIBDRN C[S@@](=O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 ZINC000442938618 867754042 /nfs/dbraw/zinc/75/40/42/867754042.db2.gz ZFYVFLFBWXFVIU-HHHXNRCGSA-N 0 0 424.931 4.040 20 5 HIBDRN O=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000442979449 867774092 /nfs/dbraw/zinc/77/40/92/867774092.db2.gz ORDQYGKCAUYEHF-UHFFFAOYSA-N 0 0 421.182 4.264 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CCOC[C@@]34CCOC4)cc2[N+](=O)[O-])cc1 ZINC000443067630 867808391 /nfs/dbraw/zinc/80/83/91/867808391.db2.gz UFEPNKCXJJERSW-NRFANRHFSA-N 0 0 400.500 4.046 20 5 HIBDRN O=C(CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCc1c[nH]cn1 ZINC000443371953 867934828 /nfs/dbraw/zinc/93/48/28/867934828.db2.gz IWLMYJUYTFCNTC-OQLLNIDSSA-N 0 0 419.466 4.175 20 5 HIBDRN C[C@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@H]1CO ZINC000443387921 867947548 /nfs/dbraw/zinc/94/75/48/867947548.db2.gz SDNOHWHJVRKBKJ-LRDDRELGSA-N 0 0 406.891 4.242 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443649746 868241613 /nfs/dbraw/zinc/24/16/13/868241613.db2.gz GYDMSVZSXUUSQP-HNNXBMFYSA-N 0 0 403.866 4.039 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000443665879 868272175 /nfs/dbraw/zinc/27/21/75/868272175.db2.gz QRPIKSDKJBQEED-UHFFFAOYSA-N 0 0 400.303 4.207 20 5 HIBDRN COc1ccc(N(Cc2ccccc2)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000443717702 868302199 /nfs/dbraw/zinc/30/21/99/868302199.db2.gz MOVMMJAKDCAJTC-UHFFFAOYSA-N 0 0 412.467 4.140 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1-c1ccccc1 ZINC000443735232 868314285 /nfs/dbraw/zinc/31/42/85/868314285.db2.gz WCJASSRKQMWOSF-UHFFFAOYSA-N 0 0 409.829 4.170 20 5 HIBDRN CN(CC(=O)Nc1ccc(-c2nc3ccccc3s2)cn1)c1ccccc1[N+](=O)[O-] ZINC000443807281 868343155 /nfs/dbraw/zinc/34/31/55/868343155.db2.gz VSXAAAMZXGJFNQ-UHFFFAOYSA-N 0 0 419.466 4.341 20 5 HIBDRN 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ZINC000443927200 868465713 /nfs/dbraw/zinc/46/57/13/868465713.db2.gz LSQHITBHJHDOLY-INIZCTEOSA-N 0 0 424.482 4.065 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000443944406 868480302 /nfs/dbraw/zinc/48/03/02/868480302.db2.gz HTHCLBBMVHOWRG-AWEZNQCLSA-N 0 0 420.416 4.213 20 5 HIBDRN COc1cccc([C@H](C)N2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)c1 ZINC000443953367 868489915 /nfs/dbraw/zinc/48/99/15/868489915.db2.gz SWWYHYCYWGTWJK-KRWDZBQOSA-N 0 0 412.490 4.131 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@H]2c2cccc(Cl)c2)s1 ZINC000443956761 868492214 /nfs/dbraw/zinc/49/22/14/868492214.db2.gz BLFWTXNMSCYHCS-ZDUSSCGKSA-N 0 0 400.909 4.445 20 5 HIBDRN Cc1cc(N2CCC(CO)(Cc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443968159 868499428 /nfs/dbraw/zinc/49/94/28/868499428.db2.gz VUZXEVLHQULBAW-UHFFFAOYSA-N 0 0 418.497 4.182 20 5 HIBDRN COc1ccc(C2(CNC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CCOCC2)cc1 ZINC000443974535 868503575 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CCC[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C(=O)OC(C)(C)C ZINC000444320446 868749071 /nfs/dbraw/zinc/74/90/71/868749071.db2.gz FHVFGFZKMQMQEG-QGZVFWFLSA-N 0 0 412.461 4.061 20 5 HIBDRN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444322726 868751615 /nfs/dbraw/zinc/75/16/15/868751615.db2.gz JKZLHWHYWSGYEY-HNNXBMFYSA-N 0 0 424.472 4.014 20 5 HIBDRN O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444330661 868757268 /nfs/dbraw/zinc/75/72/68/868757268.db2.gz SONBKBHBMHSOHB-VOIUYBSRSA-N 0 0 416.452 4.328 20 5 HIBDRN Cn1c(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)nc2cccc(Cl)c21 ZINC000444335373 868761709 /nfs/dbraw/zinc/76/17/09/868761709.db2.gz LBTYRSFRMHRYCA-UHFFFAOYSA-N 0 0 416.868 4.151 20 5 HIBDRN CCc1n[nH]c(C(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000444336300 868763650 /nfs/dbraw/zinc/76/36/50/868763650.db2.gz JREQBMHZEOEXJP-MGPUTAFESA-N 0 0 404.470 4.099 20 5 HIBDRN 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/nfs/dbraw/zinc/89/59/10/869895910.db2.gz NQLNQTRZOQIMQU-GOSISDBHSA-N 0 0 408.376 4.146 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3nc(-c4nnc(-c5ccccc5)o4)no3)cs2)cc1 ZINC000445999403 869961909 /nfs/dbraw/zinc/96/19/09/869961909.db2.gz VFKHKIWGRFGWPU-UHFFFAOYSA-N 0 0 418.394 4.485 20 5 HIBDRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000446003167 869966762 /nfs/dbraw/zinc/96/67/62/869966762.db2.gz IXGRFUCDADDRON-UHFFFAOYSA-N 0 0 417.465 4.405 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000446004966 869969568 /nfs/dbraw/zinc/96/95/68/869969568.db2.gz PPJRGICTXKEMJX-UHFFFAOYSA-N 0 0 421.428 4.235 20 5 HIBDRN O=[N+]([O-])c1ccc2sc(-c3nc(Cc4nncn4-c4ccccc4)no3)cc2c1 ZINC000446017323 869984397 /nfs/dbraw/zinc/98/43/97/869984397.db2.gz APOMPBGJJGNAHD-UHFFFAOYSA-N 0 0 404.411 4.031 20 5 HIBDRN CCc1ccc(-c2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)cc1[N+](=O)[O-] ZINC000446018343 869985112 /nfs/dbraw/zinc/98/51/12/869985112.db2.gz IAEHIUHQGHSLLG-UHFFFAOYSA-N 0 0 408.336 4.134 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000446024758 869991082 /nfs/dbraw/zinc/99/10/82/869991082.db2.gz VXUVOCUKURYNMN-UHFFFAOYSA-N 0 0 404.348 4.038 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H](CC(F)(F)F)C(C)C)c([N+](=O)[O-])cc1OCC ZINC000446033769 869997336 /nfs/dbraw/zinc/99/73/36/869997336.db2.gz QXPJCHBDPUBKAF-LBPRGKRZSA-N 0 0 407.389 4.491 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](Cc1ccccc1)C1CC1 ZINC000446046658 870009690 /nfs/dbraw/zinc/00/96/90/870009690.db2.gz UOJITQMLQZSDPM-SFHVURJKSA-N 0 0 403.276 4.037 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000446077689 870027271 /nfs/dbraw/zinc/02/72/71/870027271.db2.gz CZKRXNCYIGOYHT-OAHLLOKOSA-N 0 0 410.405 4.112 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc(C)c1C ZINC000446093752 870039829 /nfs/dbraw/zinc/03/98/29/870039829.db2.gz ZTDGWPIWKRXARH-UHFFFAOYSA-N 0 0 400.434 4.337 20 5 HIBDRN COCCCOc1ccccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000446105642 870052916 /nfs/dbraw/zinc/05/29/16/870052916.db2.gz TVOKLNPSMXGWMZ-UHFFFAOYSA-N 0 0 415.265 4.086 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c(OC)c1 ZINC000446110960 870057764 /nfs/dbraw/zinc/05/77/64/870057764.db2.gz DQKCQEQMVRVGAQ-UHFFFAOYSA-N 0 0 418.471 4.390 20 5 HIBDRN Cc1ccc(C)n1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000446140549 870084613 /nfs/dbraw/zinc/08/46/13/870084613.db2.gz VSLDMIOMWHSZBX-UHFFFAOYSA-N 0 0 420.307 4.182 20 5 HIBDRN C[C@]1(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CCCO1 ZINC000446175992 870114830 /nfs/dbraw/zinc/11/48/30/870114830.db2.gz ULQXGICKOOIZLM-LJQANCHMSA-N 0 0 408.813 4.365 20 5 HIBDRN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446197972 870130847 /nfs/dbraw/zinc/13/08/47/870130847.db2.gz QRDQHXQPZDJALZ-DYVFJYSZSA-N 0 0 403.276 4.304 20 5 HIBDRN CCOC(=O)[C@@H]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])c2ccccc21 ZINC000446246544 870188601 /nfs/dbraw/zinc/18/86/01/870188601.db2.gz VZFWOLMVCOEXSU-CQSZACIVSA-N 0 0 400.456 4.014 20 5 HIBDRN CCNc1ccc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000446248623 870191751 /nfs/dbraw/zinc/19/17/51/870191751.db2.gz LWXAPXWDUVZBDA-ORAYPTAESA-N 0 0 403.866 4.282 20 5 HIBDRN COc1cccc(C)c1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000446291706 870220161 /nfs/dbraw/zinc/22/01/61/870220161.db2.gz MXBCPLWAVOKNSM-MRXNPFEDSA-N 0 0 415.446 4.116 20 5 HIBDRN COc1cc(C(=O)NC[C@@]2(C)CCCO2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000446301336 870226054 /nfs/dbraw/zinc/22/60/54/870226054.db2.gz XQMVEYJHDFEPEF-HXUWFJFHSA-N 0 0 420.849 4.348 20 5 HIBDRN CCN1CC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000446303685 870229019 /nfs/dbraw/zinc/22/90/19/870229019.db2.gz WKLDVIPMTJTDOB-APWZRJJASA-N 0 0 405.857 4.261 20 5 HIBDRN CC(C)[C@@H]1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000446318039 870239084 /nfs/dbraw/zinc/23/90/84/870239084.db2.gz HGMFMOOEPQETIY-OAHLLOKOSA-N 0 0 413.440 4.335 20 5 HIBDRN Cc1nn(CCC(=O)NCc2ccc(C)cc2Oc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000446344174 870254226 /nfs/dbraw/zinc/25/42/26/870254226.db2.gz RQBMKRWWBQEXGT-UHFFFAOYSA-N 0 0 408.458 4.215 20 5 HIBDRN O=C(Nc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1)c1cccs1 ZINC000446428794 870345990 /nfs/dbraw/zinc/34/59/90/870345990.db2.gz ZJTRSBBVZHEBFL-UHFFFAOYSA-N 0 0 407.451 4.107 20 5 HIBDRN COC(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000446431971 870350012 /nfs/dbraw/zinc/35/00/12/870350012.db2.gz DZFOJHYJJLYNQM-UHFFFAOYSA-N 0 0 406.394 4.213 20 5 HIBDRN COCCOc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000446434612 870353804 /nfs/dbraw/zinc/35/38/04/870353804.db2.gz MBIPINAPHKLGJE-UHFFFAOYSA-N 0 0 422.437 4.451 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000446482479 870394581 /nfs/dbraw/zinc/39/45/81/870394581.db2.gz SUYGOJLADPKBPQ-CYBMUJFWSA-N 0 0 424.379 4.202 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cc1OC ZINC000446485822 870398833 /nfs/dbraw/zinc/39/88/33/870398833.db2.gz RRHXAOCNYQIKRI-HNNXBMFYSA-N 0 0 413.474 4.093 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)c(F)c1 ZINC000446489900 870402092 /nfs/dbraw/zinc/40/20/92/870402092.db2.gz FQFYKRKTHTVSCR-MRXNPFEDSA-N 0 0 409.801 4.122 20 5 HIBDRN COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Oc1ccc(C)nn1 ZINC000446488621 870402942 /nfs/dbraw/zinc/40/29/42/870402942.db2.gz OUAUUJFLLZIBNE-UHFFFAOYSA-N 0 0 409.402 4.447 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(OCCOc2ccccc2)nc1 ZINC000446499441 870416371 /nfs/dbraw/zinc/41/63/71/870416371.db2.gz QRHHYVCIPYJPIG-UHFFFAOYSA-N 0 0 422.441 4.078 20 5 HIBDRN CC(C)[C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000446517797 870436303 /nfs/dbraw/zinc/43/63/03/870436303.db2.gz KRIICJRAZDQDMU-QGZVFWFLSA-N 0 0 409.486 4.010 20 5 HIBDRN COc1cc(C(=O)Nc2sc3c(c2C(=O)C2CC2)CCC3)cc([N+](=O)[O-])c1OC ZINC000446610046 870514196 /nfs/dbraw/zinc/51/41/96/870514196.db2.gz JZBHPUGZVOBWHH-UHFFFAOYSA-N 0 0 416.455 4.007 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000446624195 870527408 /nfs/dbraw/zinc/52/74/08/870527408.db2.gz MLTCWSVWEVKYKY-HXUWFJFHSA-N 0 0 417.465 4.091 20 5 HIBDRN Cc1ccc(C(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)cc1[N+](=O)[O-] ZINC000446639934 870548693 /nfs/dbraw/zinc/54/86/93/870548693.db2.gz URENYJNSQMYAPK-NRFANRHFSA-N 0 0 417.465 4.091 20 5 HIBDRN COc1cc(C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)cc([N+](=O)[O-])c1OC ZINC000446642698 870554572 /nfs/dbraw/zinc/55/45/72/870554572.db2.gz QEJYYYHQFYWDIW-HXUWFJFHSA-N 0 0 410.401 4.271 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc(OCCO)c1 ZINC000446720355 870635221 /nfs/dbraw/zinc/63/52/21/870635221.db2.gz VEHHFTZQPRBVBG-UHFFFAOYSA-N 0 0 421.453 4.139 20 5 HIBDRN CC(C)(C)c1nn(-c2ccccc2)cc1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446833885 870749342 /nfs/dbraw/zinc/74/93/42/870749342.db2.gz IEEQKFKOCOXQLX-UHFFFAOYSA-N 0 0 404.474 4.244 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CNCc3cc4ccccc4nc3N3CCCCC3)nc2c1 ZINC000446838347 870756301 /nfs/dbraw/zinc/75/63/01/870756301.db2.gz HMOITZYKSNQLKF-UHFFFAOYSA-N 0 0 416.485 4.299 20 5 HIBDRN CC[C@H](c1nnc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)s1)c1ccccc1 ZINC000446846044 870765542 /nfs/dbraw/zinc/76/55/42/870765542.db2.gz UTDHSCICMBTKOV-SFHVURJKSA-N 0 0 423.498 4.578 20 5 HIBDRN Cc1cc(NCCc2nc3ccccc3n2C(F)F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000446864073 870785001 /nfs/dbraw/zinc/78/50/01/870785001.db2.gz YPMHTGGKCUZKSW-UHFFFAOYSA-N 0 0 424.411 4.182 20 5 HIBDRN O=C(NC1CCOCC1)c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000446876597 870797156 /nfs/dbraw/zinc/79/71/56/870797156.db2.gz GNAKQZLIMNVHAR-UHFFFAOYSA-N 0 0 421.453 4.376 20 5 HIBDRN CC(C)(CO)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccccc1 ZINC000446876969 870797323 /nfs/dbraw/zinc/79/73/23/870797323.db2.gz WJKPAYMYQRMFEQ-HXUWFJFHSA-N 0 0 411.502 4.045 20 5 HIBDRN Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446894938 870814461 /nfs/dbraw/zinc/81/44/61/870814461.db2.gz TUAKIDGHIQLFNX-YCRPNKLZSA-N 0 0 407.474 4.462 20 5 HIBDRN CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446901739 870819674 /nfs/dbraw/zinc/81/96/74/870819674.db2.gz FOHBPSAUYAKOKJ-UHFFFAOYSA-N 0 0 408.245 4.120 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000446901636 870820244 /nfs/dbraw/zinc/82/02/44/870820244.db2.gz YLWLNDNDTIFXGT-INIZCTEOSA-N 0 0 422.470 4.128 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC=C(c2cccc3ccccc32)C1 ZINC000446904388 870822918 /nfs/dbraw/zinc/82/29/18/870822918.db2.gz LTCGHEPDPSKPAK-UHFFFAOYSA-N 0 0 413.437 4.233 20 5 HIBDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446903830 870823108 /nfs/dbraw/zinc/82/31/08/870823108.db2.gz FHAOQGXOZRUQEF-LLVKDONJSA-N 0 0 421.379 4.393 20 5 HIBDRN CC(C)CN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000446905383 870823992 /nfs/dbraw/zinc/82/39/92/870823992.db2.gz HGAGRGVXXYCCTH-LJQANCHMSA-N 0 0 422.489 4.111 20 5 HIBDRN CC(C)CN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000446905381 870824428 /nfs/dbraw/zinc/82/44/28/870824428.db2.gz HGAGRGVXXYCCTH-IBGZPJMESA-N 0 0 422.489 4.111 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000446908645 870825395 /nfs/dbraw/zinc/82/53/95/870825395.db2.gz PEVDGILZZMQOLR-FQEVSTJZSA-N 0 0 405.458 4.223 20 5 HIBDRN COCc1c(Br)cccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446910810 870828497 /nfs/dbraw/zinc/82/84/97/870828497.db2.gz DCUFBVWNTYWVOE-UHFFFAOYSA-N 0 0 420.263 4.094 20 5 HIBDRN Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446917146 870832935 /nfs/dbraw/zinc/83/29/35/870832935.db2.gz VWYZCLNUMJBJFU-UHFFFAOYSA-N 0 0 421.482 4.435 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000446928190 870841199 /nfs/dbraw/zinc/84/11/99/870841199.db2.gz KBAWEPDGGKTHTF-UHFFFAOYSA-N 0 0 418.368 4.106 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000446933105 870843627 /nfs/dbraw/zinc/84/36/27/870843627.db2.gz YQYVHFVCORHWBV-UHFFFAOYSA-N 0 0 418.368 4.106 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccsc2)c(C(F)(F)F)c1 ZINC000447040554 870917109 /nfs/dbraw/zinc/91/71/09/870917109.db2.gz VBEBBSPRDYYSED-ZDUSSCGKSA-N 0 0 406.407 4.201 20 5 HIBDRN CCOC(=O)c1ccnc(N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c1[N+](=O)[O-] ZINC000447053782 870933124 /nfs/dbraw/zinc/93/31/24/870933124.db2.gz GUYNAWCCMQRACY-GOSISDBHSA-N 0 0 423.473 4.439 20 5 HIBDRN CC(=O)N(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 ZINC000447184306 871075927 /nfs/dbraw/zinc/07/59/27/871075927.db2.gz NASURZYUQICAAP-UHFFFAOYSA-N 0 0 417.421 4.061 20 5 HIBDRN CCOc1cc(N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000447184282 871076247 /nfs/dbraw/zinc/07/62/47/871076247.db2.gz NAGSNBCPYDIMCA-INIZCTEOSA-N 0 0 409.442 4.139 20 5 HIBDRN O=C(NCc1ccc(OC(F)F)cn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000447194699 871088868 /nfs/dbraw/zinc/08/88/68/871088868.db2.gz PRCFFAFKJSNNDV-UHFFFAOYSA-N 0 0 415.352 4.314 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2nc(Cc3cccc(F)c3)no2)c(Br)c1 ZINC000447286714 871183739 /nfs/dbraw/zinc/18/37/39/871183739.db2.gz HVCCZARFTNSMON-UHFFFAOYSA-N 0 0 408.183 4.049 20 5 HIBDRN CCOc1ccc(NC(=O)CN[C@@H](c2ccccc2)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000447343107 871241471 /nfs/dbraw/zinc/24/14/71/871241471.db2.gz XSEBNPGQGDFNJH-QHCPKHFHSA-N 0 0 423.444 4.450 20 5 HIBDRN O=C(CSc1ccc(Br)cc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000447355380 871257842 /nfs/dbraw/zinc/25/78/42/871257842.db2.gz PETHXGWWYIFFFI-UHFFFAOYSA-N 0 0 413.318 4.096 20 5 HIBDRN CC(C)[C@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)NCc1ccco1 ZINC000447356816 871259721 /nfs/dbraw/zinc/25/97/21/871259721.db2.gz UCVMIQNVZDNPGB-HNNXBMFYSA-N 0 0 413.293 4.383 20 5 HIBDRN CCOC(=O)c1cc(C)sc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000447372608 871280519 /nfs/dbraw/zinc/28/05/19/871280519.db2.gz INQARBSMYHOJNJ-UHFFFAOYSA-N 0 0 419.278 4.218 20 5 HIBDRN CC(=O)N(C)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)cc1 ZINC000447397142 871307246 /nfs/dbraw/zinc/30/72/46/871307246.db2.gz YUPHIJUUHXEEKN-UHFFFAOYSA-N 0 0 410.455 4.262 20 5 HIBDRN CCN(CC)C(=O)[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000447399086 871309171 /nfs/dbraw/zinc/30/91/71/871309171.db2.gz UUOHJJROTVPFIU-SFHVURJKSA-N 0 0 409.408 4.313 20 5 HIBDRN COC(=O)[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1Cl ZINC000447397989 871309322 /nfs/dbraw/zinc/30/93/22/871309322.db2.gz PZULKMRXFHBSST-OAHLLOKOSA-N 0 0 402.756 4.271 20 5 HIBDRN O=C(Nc1cnccc1-n1cccn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000447421613 871326151 /nfs/dbraw/zinc/32/61/51/871326151.db2.gz HOFFBPSPCVMTGU-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN COc1cc(CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1O ZINC000447517157 871385268 /nfs/dbraw/zinc/38/52/68/871385268.db2.gz 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404.825 4.194 20 5 HIBDRN COc1ccc(C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)cc1[N+](=O)[O-] ZINC000448450319 872397246 /nfs/dbraw/zinc/39/72/46/872397246.db2.gz UPLBXWLWCXBVHJ-UHFFFAOYSA-N 0 0 401.325 4.321 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-c2nc(C)no2)cc1[N+](=O)[O-] ZINC000448454100 872400851 /nfs/dbraw/zinc/40/08/51/872400851.db2.gz GYPFEABKVUHALE-UHFFFAOYSA-N 0 0 422.319 4.233 20 5 HIBDRN O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000448459748 872419005 /nfs/dbraw/zinc/41/90/05/872419005.db2.gz RBHAYRBPGVXBCW-CYBMUJFWSA-N 0 0 408.254 4.211 20 5 HIBDRN Cc1nnc(-c2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)o1 ZINC000468560756 882614437 /nfs/dbraw/zinc/61/44/37/882614437.db2.gz PLIUZOIVHGPFKC-UHFFFAOYSA-N 0 0 407.411 4.329 20 5 HIBDRN Cc1cc(C[C@@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000448529059 872523851 /nfs/dbraw/zinc/52/38/51/872523851.db2.gz MCMNWUSBKOMKLP-MRXNPFEDSA-N 0 0 421.501 4.254 20 5 HIBDRN 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872779455 /nfs/dbraw/zinc/77/94/55/872779455.db2.gz DOEWCUPQHZGGSY-IBGZPJMESA-N 0 0 423.473 4.232 20 5 HIBDRN COC(=O)CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000460218639 872804369 /nfs/dbraw/zinc/80/43/69/872804369.db2.gz VFADDHWSMSVVBW-UHFFFAOYSA-N 0 0 402.422 4.241 20 5 HIBDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000460295531 872886602 /nfs/dbraw/zinc/88/66/02/872886602.db2.gz CVHBMJPXQSSEJA-AWEZNQCLSA-N 0 0 408.401 4.298 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000460297588 872888282 /nfs/dbraw/zinc/88/82/82/872888282.db2.gz MSOFLNIUZSTBJN-AWEZNQCLSA-N 0 0 408.458 4.098 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N[C@@H]1CCCOC1 ZINC000460321066 872915397 /nfs/dbraw/zinc/91/53/97/872915397.db2.gz MDOJIIJYUQBYDZ-CYBMUJFWSA-N 0 0 423.828 4.158 20 5 HIBDRN CO[C@@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000460328461 872930383 /nfs/dbraw/zinc/93/03/83/872930383.db2.gz PBJRBNRWYKZNHG-DIFFPNOSSA-N 0 0 413.257 4.173 20 5 HIBDRN CCC(CC)c1cc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)on1 ZINC000460340516 872951902 /nfs/dbraw/zinc/95/19/02/872951902.db2.gz TYSBIRSXUQIBRP-UHFFFAOYSA-N 0 0 403.482 4.363 20 5 HIBDRN C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(-c2ccncc2)cc1 ZINC000460398518 873048758 /nfs/dbraw/zinc/04/87/58/873048758.db2.gz CXURETRZCSYOND-MRXNPFEDSA-N 0 0 418.453 4.322 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000460460502 873140617 /nfs/dbraw/zinc/14/06/17/873140617.db2.gz IMSQNLMYSJAPRR-UHFFFAOYSA-N 0 0 410.257 4.299 20 5 HIBDRN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccc([N+](=O)[O-])o1 ZINC000460468431 873152906 /nfs/dbraw/zinc/15/29/06/873152906.db2.gz FITXUANWWJTBTK-UHFFFAOYSA-N 0 0 407.304 4.324 20 5 HIBDRN COc1cccc(F)c1[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000460469405 873154412 /nfs/dbraw/zinc/15/44/12/873154412.db2.gz JSAVHXJRESXWSX-OAHLLOKOSA-N 0 0 404.441 4.180 20 5 HIBDRN C[C@H](CCc1cccn1C)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000460473532 873158483 /nfs/dbraw/zinc/15/84/83/873158483.db2.gz TVXBXWXYPNPWSD-GFCCVEGCSA-N 0 0 415.437 4.182 20 5 HIBDRN O=C(CCCCOc1ccc(Br)cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000460486481 873172701 /nfs/dbraw/zinc/17/27/01/873172701.db2.gz FYPNNFWPCBYAHK-UHFFFAOYSA-N 0 0 421.291 4.265 20 5 HIBDRN C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Oc1cccc(F)c1 ZINC000460495472 873180304 /nfs/dbraw/zinc/18/03/04/873180304.db2.gz OTHLNGJXQWYPQU-LBPRGKRZSA-N 0 0 401.419 4.055 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)C[C@@H](C)O2 ZINC000460497016 873182344 /nfs/dbraw/zinc/18/23/44/873182344.db2.gz RLCWHEIYIFONFV-GFCCVEGCSA-N 0 0 411.439 4.155 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000460548100 873254728 /nfs/dbraw/zinc/25/47/28/873254728.db2.gz OAIXFYSMJGJPRR-WBVHZDCISA-N 0 0 418.877 4.081 20 5 HIBDRN CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c2ncccc12 ZINC000468605989 882708868 /nfs/dbraw/zinc/70/88/68/882708868.db2.gz DTJNDJZUJJVHHV-UHFFFAOYSA-N 0 0 418.409 4.107 20 5 HIBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000460598839 873339736 /nfs/dbraw/zinc/33/97/36/873339736.db2.gz MNQFTRQEWRDFBP-QGZVFWFLSA-N 0 0 423.847 4.436 20 5 HIBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCc2ccccc21 ZINC000460688451 873445733 /nfs/dbraw/zinc/44/57/33/873445733.db2.gz NDJJQEGWQZIJBH-NRFANRHFSA-N 0 0 421.501 4.404 20 5 HIBDRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(C(=O)N2[C@H](C)CCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000460767727 873613425 /nfs/dbraw/zinc/61/34/25/873613425.db2.gz KEPCFUXGNUNRJS-QBPKDAKJSA-N 0 0 401.507 4.401 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccc(Br)cn3)no2)ccc1NC1CC1 ZINC000460812367 873693218 /nfs/dbraw/zinc/69/32/18/873693218.db2.gz CFYBHYYWCIFQFH-UHFFFAOYSA-N 0 0 402.208 4.044 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1Cc2ccccc2[C@H]1C ZINC000460813988 873695001 /nfs/dbraw/zinc/69/50/01/873695001.db2.gz QGJGVZPRXXDXPT-MRXNPFEDSA-N 0 0 407.474 4.361 20 5 HIBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cc(Cl)ccc1Br ZINC000460870356 873778104 /nfs/dbraw/zinc/77/81/04/873778104.db2.gz UIHXRLSTCHZFET-UHFFFAOYSA-N 0 0 420.650 4.283 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N(CC3CC3)CC3CCC3)n2C[C@@H]2CCCO2)c1 ZINC000460916689 873822470 /nfs/dbraw/zinc/82/24/70/873822470.db2.gz YGXKXAXUJRWGKX-FQEVSTJZSA-N 0 0 411.506 4.049 20 5 HIBDRN C[C@H](c1cccs1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000460935189 873836293 /nfs/dbraw/zinc/83/62/93/873836293.db2.gz RMCWIEJLWHMMMM-RHSMWYFYSA-N 0 0 413.503 4.291 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCO1)C1CC1 ZINC000460940996 873841230 /nfs/dbraw/zinc/84/12/30/873841230.db2.gz YBPILCIXLAWMAA-FQEVSTJZSA-N 0 0 419.485 4.201 20 5 HIBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CC(C)(C)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000460975255 873869157 /nfs/dbraw/zinc/86/91/57/873869157.db2.gz DXRLOSXHSYHOJD-JOCHJYFZSA-N 0 0 421.497 4.152 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@H]1C[C@]12CCOC2 ZINC000461021468 873889173 /nfs/dbraw/zinc/88/91/73/873889173.db2.gz OBESRYHOECYULN-VLIAUNLRSA-N 0 0 420.824 4.222 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1C[C@]12CCOC2 ZINC000461021469 873889450 /nfs/dbraw/zinc/88/94/50/873889450.db2.gz OBESRYHOECYULN-XOBRGWDASA-N 0 0 420.824 4.222 20 5 HIBDRN Cc1nc(C)c(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)s1 ZINC000461038749 873899175 /nfs/dbraw/zinc/89/91/75/873899175.db2.gz UWBAMQLLPFQEKN-LBPRGKRZSA-N 0 0 411.487 4.166 20 5 HIBDRN CC(C)(C)C[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000461055842 873929046 /nfs/dbraw/zinc/92/90/46/873929046.db2.gz VNNYSDYYOOWLNY-MOPGFXCFSA-N 0 0 413.522 4.437 20 5 HIBDRN COC(C)(C)CCSc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000468643435 882777936 /nfs/dbraw/zinc/77/79/36/882777936.db2.gz YQBYWEKERHLBAN-UHFFFAOYSA-N 0 0 416.565 4.067 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)[C@H]1c1ccccc1 ZINC000461073575 873969232 /nfs/dbraw/zinc/96/92/32/873969232.db2.gz HZXAOLSZAVNORZ-TYCQWZJGSA-N 0 0 419.485 4.230 20 5 HIBDRN C[C@H]1c2ccccc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000461074853 873972310 /nfs/dbraw/zinc/97/23/10/873972310.db2.gz MHXGUYXYKZURJI-OXJNMPFZSA-N 0 0 419.485 4.156 20 5 HIBDRN CC(C)CN(C(=O)[C@H]1C[C@]12CCOC2)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000461103109 874023145 /nfs/dbraw/zinc/02/31/45/874023145.db2.gz XTBFLZACKDAPMH-QRWLVFNGSA-N 0 0 401.488 4.134 20 5 HIBDRN CC(C)N(Cc1ccco1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 ZINC000461129032 874063366 /nfs/dbraw/zinc/06/33/66/874063366.db2.gz MNQZZUYVYHLCHF-LJQANCHMSA-N 0 0 411.462 4.040 20 5 HIBDRN C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 ZINC000461162789 874123218 /nfs/dbraw/zinc/12/32/18/874123218.db2.gz PAZOTFOZSVCXFP-WMLDXEAASA-N 0 0 413.503 4.291 20 5 HIBDRN Cn1cc(C(=O)NC2CC(c3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461165907 874130489 /nfs/dbraw/zinc/13/04/89/874130489.db2.gz SVZAWNQQPIRVCN-UHFFFAOYSA-N 0 0 410.861 4.325 20 5 HIBDRN Nc1c(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000468666616 882800428 /nfs/dbraw/zinc/80/04/28/882800428.db2.gz JEADCRZRXYLEGF-MUUNZHRXSA-N 0 0 401.488 4.011 20 5 HIBDRN COc1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)ccc1[N+](=O)[O-] ZINC000461186679 874178415 /nfs/dbraw/zinc/17/84/15/874178415.db2.gz OXBUJQSPNPUHGE-UHFFFAOYSA-N 0 0 408.376 4.474 20 5 HIBDRN CO[C@H]1CCOc2c(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cccc21 ZINC000468679875 882807356 /nfs/dbraw/zinc/80/73/56/882807356.db2.gz LGSIFPRAFVSVOS-HNNXBMFYSA-N 0 0 407.220 4.080 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000461264566 874273234 /nfs/dbraw/zinc/27/32/34/874273234.db2.gz MACCJXBXKPVHRR-KSSFIOAISA-N 0 0 420.918 4.208 20 5 HIBDRN COc1cc(Br)c(CNCc2ccc([N+](=O)[O-])cc2Cl)cc1O ZINC000468693528 882816454 /nfs/dbraw/zinc/81/64/54/882816454.db2.gz KQEVXLYQTOVMGA-UHFFFAOYSA-N 0 0 401.644 4.015 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@H]3OC)cc1SC ZINC000468689712 882813989 /nfs/dbraw/zinc/81/39/89/882813989.db2.gz VISIYQSBACQCNZ-OAHLLOKOSA-N 0 0 404.444 4.048 20 5 HIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)c3nc4ccccc4n3C)cc2[N+](=O)[O-])C1 ZINC000461303293 874309297 /nfs/dbraw/zinc/30/92/97/874309297.db2.gz WLGFODYMGJUHAU-HOTGVXAUSA-N 0 0 421.501 4.240 20 5 HIBDRN Cc1cc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2N)cc(C)c1OCC(F)(F)F ZINC000468703265 882821379 /nfs/dbraw/zinc/82/13/79/882821379.db2.gz SVYCXOIOSLTFQK-UHFFFAOYSA-N 0 0 411.380 4.007 20 5 HIBDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461383628 874388248 /nfs/dbraw/zinc/38/82/48/874388248.db2.gz FBXWFZCVXPKPEA-UHFFFAOYSA-N 0 0 413.430 4.201 20 5 HIBDRN O=C(CCc1cccc(OC2CCCC2)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461390370 874397780 /nfs/dbraw/zinc/39/77/80/874397780.db2.gz VSNQPTNZKDLZBR-UHFFFAOYSA-N 0 0 410.470 4.270 20 5 HIBDRN O=C(CCC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1csc2ccccc12 ZINC000461395061 874402192 /nfs/dbraw/zinc/40/21/92/874402192.db2.gz AFIVDWBIAPLHPU-UHFFFAOYSA-N 0 0 410.451 4.194 20 5 HIBDRN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461405358 874416055 /nfs/dbraw/zinc/41/60/55/874416055.db2.gz JQDOSDDIZBFTJE-CYBMUJFWSA-N 0 0 408.376 4.213 20 5 HIBDRN O=C([C@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461405388 874416893 /nfs/dbraw/zinc/41/68/93/874416893.db2.gz JYVQFDKKLSKFHG-HOTGVXAUSA-N 0 0 422.359 4.018 20 5 HIBDRN O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461412165 874428827 /nfs/dbraw/zinc/42/88/27/874428827.db2.gz YVUJWXQTZPPJSC-HZPDHXFCSA-N 0 0 406.360 4.138 20 5 HIBDRN CC[C@H](C)c1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C[C@H]1CCOC1 ZINC000461518997 874600052 /nfs/dbraw/zinc/60/00/52/874600052.db2.gz NADHOJFIDFZAFM-FUHWJXTLSA-N 0 0 401.511 4.151 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3c(F)cccc3NC3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000468757112 882845094 /nfs/dbraw/zinc/84/50/94/882845094.db2.gz AHVWDCZHPRAIIR-UHFFFAOYSA-N 0 0 423.448 4.422 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(Oc2cccnn2)c1 ZINC000461537222 874625371 /nfs/dbraw/zinc/62/53/71/874625371.db2.gz YEVGTNUHLNGICN-UHFFFAOYSA-N 0 0 422.444 4.376 20 5 HIBDRN C[C@H](C1CCCCC1)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 ZINC000461580485 874685840 /nfs/dbraw/zinc/68/58/40/874685840.db2.gz RZYNBFHELNHSEL-IAGOWNOFSA-N 0 0 413.522 4.295 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000461586023 874697003 /nfs/dbraw/zinc/69/70/03/874697003.db2.gz COIVDOFQKBYESD-INIZCTEOSA-N 0 0 410.499 4.367 20 5 HIBDRN CC(C)(C)C1=CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)CC1 ZINC000461585936 874697638 /nfs/dbraw/zinc/69/76/38/874697638.db2.gz OXLBGIQCUAKATR-MRXNPFEDSA-N 0 0 411.506 4.072 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1C ZINC000468790026 882861025 /nfs/dbraw/zinc/86/10/25/882861025.db2.gz CJINVFDLLZAIGH-UHFFFAOYSA-N 0 0 418.475 4.027 20 5 HIBDRN O=C(NC[C@@H](CO)C1CC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000461627355 874782218 /nfs/dbraw/zinc/78/22/18/874782218.db2.gz NZOMIVBNPAHTQG-ZDUSSCGKSA-N 0 0 406.891 4.148 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@H]3c3ccccc3)n2C[C@H]2CCOC2)cc1 ZINC000461639001 874796501 /nfs/dbraw/zinc/79/65/01/874796501.db2.gz CBLNBPVAWJSVIO-UTKZUKDTSA-N 0 0 419.485 4.231 20 5 HIBDRN C[C@@H]1CC2(CCC2)CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 ZINC000461649541 874805403 /nfs/dbraw/zinc/80/54/03/874805403.db2.gz BFEAXYUPKVLUQI-APWZRJJASA-N 0 0 411.506 4.191 20 5 HIBDRN CC(C)N(Cc1ccccc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461694182 874843959 /nfs/dbraw/zinc/84/39/59/874843959.db2.gz QGOGWCIPGLEWEV-IBGZPJMESA-N 0 0 421.501 4.305 20 5 HIBDRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000461755878 874892691 /nfs/dbraw/zinc/89/26/91/874892691.db2.gz MZVRBHJYFFXYQA-KSSFIOAISA-N 0 0 416.861 4.030 20 5 HIBDRN Cc1cc(NCc2ccc(CS(C)(=O)=O)cc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461766862 874899206 /nfs/dbraw/zinc/89/92/06/874899206.db2.gz JRDROBBKDVXZQU-UHFFFAOYSA-N 0 0 402.394 4.079 20 5 HIBDRN Cc1ccc(NC(=O)C2CCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)nc1 ZINC000461772626 874900092 /nfs/dbraw/zinc/90/00/92/874900092.db2.gz GQUZLPRUNJIZSX-UHFFFAOYSA-N 0 0 422.407 4.481 20 5 HIBDRN Cc1cc(N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000461941569 875075045 /nfs/dbraw/zinc/07/50/45/875075045.db2.gz PJRPNVUTOZEJDI-INIZCTEOSA-N 0 0 423.448 4.402 20 5 HIBDRN COc1ccc(CN2CC[C@@H](Nc3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)C2=O)cc1 ZINC000461947895 875079899 /nfs/dbraw/zinc/07/98/99/875079899.db2.gz LNCXHIOKNCTVLJ-MRXNPFEDSA-N 0 0 423.391 4.144 20 5 HIBDRN Cc1cc(NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c(F)cc1[N+](=O)[O-] ZINC000461958418 875087525 /nfs/dbraw/zinc/08/75/25/875087525.db2.gz MIZYULCBEOJWGL-UHFFFAOYSA-N 0 0 406.357 4.077 20 5 HIBDRN Cc1cc(N[C@@H](C)Cn2ncc3ccccc3c2=O)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461958870 875087550 /nfs/dbraw/zinc/08/75/50/875087550.db2.gz NDMATIQHFRHGPX-LBPRGKRZSA-N 0 0 406.364 4.133 20 5 HIBDRN Cc1cc(NCc2nc(-c3cccc(Br)c3)no2)c(F)cc1[N+](=O)[O-] ZINC000461965567 875090628 /nfs/dbraw/zinc/09/06/28/875090628.db2.gz OGONIVVLNBYVNG-UHFFFAOYSA-N 0 0 407.199 4.467 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3cccc(Cl)c3Cl)CC2)n1 ZINC000461988867 875108286 /nfs/dbraw/zinc/10/82/86/875108286.db2.gz MUVNXEAXZRMEJW-UHFFFAOYSA-N 0 0 410.257 4.467 20 5 HIBDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000468865125 882896637 /nfs/dbraw/zinc/89/66/37/882896637.db2.gz FRKVPHUARMMFGL-UHFFFAOYSA-N 0 0 424.310 4.221 20 5 HIBDRN CN([C@@H]1CCc2ccccc2C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462137239 875236100 /nfs/dbraw/zinc/23/61/00/875236100.db2.gz ICAKHJFEHULLTQ-CQSZACIVSA-N 0 0 415.298 4.080 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000462147201 875244694 /nfs/dbraw/zinc/24/46/94/875244694.db2.gz SUDDRAVZGQOVBS-INIZCTEOSA-N 0 0 405.303 4.413 20 5 HIBDRN CC[C@@]1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)OCCc2ccccc21 ZINC000462153433 875248690 /nfs/dbraw/zinc/24/86/90/875248690.db2.gz BTCOHYGHNLHQCA-QHCPKHFHSA-N 0 0 411.502 4.393 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000462190540 875295544 /nfs/dbraw/zinc/29/55/44/875295544.db2.gz QNHNLBLHOZMXNL-YCRPNKLZSA-N 0 0 412.442 4.083 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000462190536 875296330 /nfs/dbraw/zinc/29/63/30/875296330.db2.gz QNHNLBLHOZMXNL-BTYIYWSLSA-N 0 0 412.442 4.083 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1cc(Cl)ccc1N1CCOCC1 ZINC000462199556 875307863 /nfs/dbraw/zinc/30/78/63/875307863.db2.gz BSSAZGWAUNEHGL-UHFFFAOYSA-N 0 0 405.882 4.484 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCN([C@@H](C)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000462204181 875313042 /nfs/dbraw/zinc/31/30/42/875313042.db2.gz UHAXTSITLHECKM-HOTGVXAUSA-N 0 0 402.520 4.114 20 5 HIBDRN O=C(Nc1ccc(NCc2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000462236553 875348744 /nfs/dbraw/zinc/34/87/44/875348744.db2.gz RPFYAAQFFGUMEQ-QGZVFWFLSA-N 0 0 409.364 4.343 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1sccc1Br ZINC000462368415 875480919 /nfs/dbraw/zinc/48/09/19/875480919.db2.gz MMDGNILUCJHFFX-CLFYSBASSA-N 0 0 404.245 4.073 20 5 HIBDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1sccc1Br ZINC000462368416 875481106 /nfs/dbraw/zinc/48/11/06/875481106.db2.gz MMDGNILUCJHFFX-VQHVLOKHSA-N 0 0 404.245 4.073 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CC(=O)N(CC)CC)cc1 ZINC000462428831 875535226 /nfs/dbraw/zinc/53/52/26/875535226.db2.gz OSSQQSMCZORXML-LJQANCHMSA-N 0 0 411.502 4.213 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000462431248 875537175 /nfs/dbraw/zinc/53/71/75/875537175.db2.gz JTTWOKINWHFHSY-DOTOQJQBSA-N 0 0 400.475 4.367 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000462437398 875543038 /nfs/dbraw/zinc/54/30/38/875543038.db2.gz ROWYVCBXQKQKEU-MJGOQNOKSA-N 0 0 402.516 4.433 20 5 HIBDRN C[C@H]1CCc2ccccc2N1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462444380 875550101 /nfs/dbraw/zinc/55/01/01/875550101.db2.gz BUHUGIOXTODYQR-JTQLQIEISA-N 0 0 401.271 4.432 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000462442695 875550223 /nfs/dbraw/zinc/55/02/23/875550223.db2.gz UUKHZYOEKSWWSC-KRWDZBQOSA-N 0 0 412.486 4.372 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000462476557 875584373 /nfs/dbraw/zinc/58/43/73/875584373.db2.gz AAXNGHBGRIYZIA-QGZVFWFLSA-N 0 0 419.485 4.397 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000462479190 875586548 /nfs/dbraw/zinc/58/65/48/875586548.db2.gz FZCHZMTULYSKEA-VQIMIIECSA-N 0 0 416.449 4.499 20 5 HIBDRN Cc1ccccc1C1CC(N(C2CC2)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000462488397 875597269 /nfs/dbraw/zinc/59/72/69/875597269.db2.gz HWXBJSYIEJQYJV-UHFFFAOYSA-N 0 0 404.463 4.142 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000462489920 875599837 /nfs/dbraw/zinc/59/98/37/875599837.db2.gz FXSMMHDPPDPCQN-UHFFFAOYSA-N 0 0 415.446 4.007 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)CC(C)C)c1 ZINC000462494655 875605866 /nfs/dbraw/zinc/60/58/66/875605866.db2.gz ZUDQVYDCAFDZEC-IBGZPJMESA-N 0 0 411.502 4.465 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000462494121 875606942 /nfs/dbraw/zinc/60/69/42/875606942.db2.gz KIWLMMHPHYYAIH-LPHOPBHVSA-N 0 0 423.473 4.122 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000462494852 875607918 /nfs/dbraw/zinc/60/79/18/875607918.db2.gz MUMMOUYSYCOLTA-CQSZACIVSA-N 0 0 403.866 4.157 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C1CC1)C1CC(c2ccccc2C)C1 ZINC000462494963 875608379 /nfs/dbraw/zinc/60/83/79/875608379.db2.gz BVGXPADUHKXXNH-UHFFFAOYSA-N 0 0 416.499 4.011 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000462502075 875618017 /nfs/dbraw/zinc/61/80/17/875618017.db2.gz MEYPEVXBLGNIFR-QGZVFWFLSA-N 0 0 418.453 4.450 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(COc2cccc(C(=O)OC)c2)no1 ZINC000462506680 875622613 /nfs/dbraw/zinc/62/26/13/875622613.db2.gz BJKMPTPZIIYAOH-OAHLLOKOSA-N 0 0 411.414 4.080 20 5 HIBDRN COc1ccc(S(=O)(=O)N([C@@H](C)c2ccccc2Cl)C2CC2)c([N+](=O)[O-])c1 ZINC000462533771 875651392 /nfs/dbraw/zinc/65/13/92/875651392.db2.gz JQCXIYPHADNIDP-LBPRGKRZSA-N 0 0 410.879 4.171 20 5 HIBDRN Cc1noc2nc(C(C)C)cc(C(=O)Nc3cc(C)nc4ccc([N+](=O)[O-])cc43)c12 ZINC000462566321 875692379 /nfs/dbraw/zinc/69/23/79/875692379.db2.gz NSKCEOJTKDQILT-UHFFFAOYSA-N 0 0 405.414 4.094 20 5 HIBDRN Cc1cc(NC(=O)Cc2csc(-c3cccs3)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462575128 875698971 /nfs/dbraw/zinc/69/89/71/875698971.db2.gz HDDWXNLGWOQKAN-UHFFFAOYSA-N 0 0 410.480 4.240 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Br)cc2F)c2cc([N+](=O)[O-])ccc2n1 ZINC000462584031 875702472 /nfs/dbraw/zinc/70/24/72/875702472.db2.gz XUHBYNLJVFLXDD-UHFFFAOYSA-N 0 0 404.195 4.027 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000462607668 875720371 /nfs/dbraw/zinc/72/03/71/875720371.db2.gz RCFFHWWLAHJXHZ-OAHLLOKOSA-N 0 0 424.423 4.243 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC000462613662 875726835 /nfs/dbraw/zinc/72/68/35/875726835.db2.gz IQQRJLSFZQEHDH-OAQYLSRUSA-N 0 0 419.481 4.454 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC000462626898 875738703 /nfs/dbraw/zinc/73/87/03/875738703.db2.gz XLEUFKNXPATOHP-UHFFFAOYSA-N 0 0 420.853 4.165 20 5 HIBDRN Cc1ccc(C)c([C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@H](C)CO2)c1 ZINC000462696349 875786724 /nfs/dbraw/zinc/78/67/24/875786724.db2.gz FXTIAJZDKWCLBJ-KBXCAEBGSA-N 0 0 424.906 4.016 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000462755166 875819606 /nfs/dbraw/zinc/81/96/06/875819606.db2.gz KZBOXEKJCYWCCK-FQEVSTJZSA-N 0 0 410.518 4.255 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000462770273 875830671 /nfs/dbraw/zinc/83/06/71/875830671.db2.gz XQRMUJLNDFWDHB-XMSQKQJNSA-N 0 0 416.905 4.023 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1OC(F)F ZINC000462777738 875834848 /nfs/dbraw/zinc/83/48/48/875834848.db2.gz MDNIIPTWXOFGRB-UHFFFAOYSA-N 0 0 419.215 4.225 20 5 HIBDRN CN(Cc1cc2c(cc1OC(F)F)OCO2)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000462862127 875893768 /nfs/dbraw/zinc/89/37/68/875893768.db2.gz LLSYJKFFJGMFJV-UHFFFAOYSA-N 0 0 418.299 4.163 20 5 HIBDRN Cc1c(Br)cc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000462912104 875937026 /nfs/dbraw/zinc/93/70/26/875937026.db2.gz IQUJKIZZIHYZHS-QAPCUYQASA-N 0 0 419.275 4.316 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000462916985 875942959 /nfs/dbraw/zinc/94/29/59/875942959.db2.gz MJIMNRGCKREOQB-KDOFPFPSSA-N 0 0 424.375 4.186 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462921019 875948957 /nfs/dbraw/zinc/94/89/57/875948957.db2.gz CEWKQJSDEJYGNM-VQIMIIECSA-N 0 0 409.467 4.368 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000462926819 875955721 /nfs/dbraw/zinc/95/57/21/875955721.db2.gz RBCZVHICVCUMFS-KRWDZBQOSA-N 0 0 410.474 4.430 20 5 HIBDRN C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC000462942807 875965312 /nfs/dbraw/zinc/96/53/12/875965312.db2.gz LWZZZZKBKDLEMV-HNNXBMFYSA-N 0 0 424.888 4.076 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000462989847 876004713 /nfs/dbraw/zinc/00/47/13/876004713.db2.gz LVQJEBXGEJURMF-MJGOQNOKSA-N 0 0 412.461 4.424 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc(-c2ccncc2)cs1 ZINC000462991610 876005245 /nfs/dbraw/zinc/00/52/45/876005245.db2.gz NWXILGMJUQKNAF-INIZCTEOSA-N 0 0 410.499 4.041 20 5 HIBDRN O=C(NCc1ccc(C(F)F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000463023397 876041668 /nfs/dbraw/zinc/04/16/68/876041668.db2.gz YIVGOSOQVLELTI-UHFFFAOYSA-N 0 0 405.401 4.285 20 5 HIBDRN CS(=O)(=O)C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000463056938 876085055 /nfs/dbraw/zinc/08/50/55/876085055.db2.gz NYZVZNPHHLFMOV-GOSISDBHSA-N 0 0 416.524 4.199 20 5 HIBDRN COc1cccc(CC(=O)N2CCc3ccc(Nc4ncc(C)cc4[N+](=O)[O-])cc32)c1 ZINC000463058448 876086844 /nfs/dbraw/zinc/08/68/44/876086844.db2.gz ZSBKBMGOZMGHNC-UHFFFAOYSA-N 0 0 418.453 4.182 20 5 HIBDRN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000463061079 876089900 /nfs/dbraw/zinc/08/99/00/876089900.db2.gz FDGLJTFFFASMQK-ZJBJCVSYSA-N 0 0 420.469 4.044 20 5 HIBDRN C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1ccccc1Cl ZINC000463076658 876107766 /nfs/dbraw/zinc/10/77/66/876107766.db2.gz XOXHLHCHHFEYOG-CQSZACIVSA-N 0 0 403.866 4.364 20 5 HIBDRN CS(=O)(=O)c1cccc([C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)c1 ZINC000463080587 876112588 /nfs/dbraw/zinc/11/25/88/876112588.db2.gz BXXBDRNRPOTXJL-HXUWFJFHSA-N 0 0 400.431 4.339 20 5 HIBDRN C[C@@H](c1ccsc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000463085389 876116332 /nfs/dbraw/zinc/11/63/32/876116332.db2.gz PZVYFFWXKRZYQD-LBPRGKRZSA-N 0 0 413.421 4.194 20 5 HIBDRN CN(CCCOc1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463113927 876153677 /nfs/dbraw/zinc/15/36/77/876153677.db2.gz FROTZOHSBRCBGN-UHFFFAOYSA-N 0 0 400.328 4.294 20 5 HIBDRN O=C(NCCOc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463117160 876157726 /nfs/dbraw/zinc/15/77/26/876157726.db2.gz RDQMGPCORWQPIJ-UHFFFAOYSA-N 0 0 422.281 4.441 20 5 HIBDRN Cc1ccccc1C1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOCC1 ZINC000463139182 876188859 /nfs/dbraw/zinc/18/88/59/876188859.db2.gz GELHMKHVSKLFOI-UHFFFAOYSA-N 0 0 422.403 4.400 20 5 HIBDRN COc1ccc([C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000463139536 876189995 /nfs/dbraw/zinc/18/99/95/876189995.db2.gz HWXMDNDPJIZQHP-DEOSSOPVSA-N 0 0 419.481 4.254 20 5 HIBDRN C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463146382 876200213 /nfs/dbraw/zinc/20/02/13/876200213.db2.gz NXUYHZZHKGSXDT-SECBINFHSA-N 0 0 404.291 4.089 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc3nc(-c4cscn4)[nH]c3c2)no1 ZINC000463175363 876231175 /nfs/dbraw/zinc/23/11/75/876231175.db2.gz BAYAKNWFGGRDAU-UHFFFAOYSA-N 0 0 405.399 4.015 20 5 HIBDRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000463251955 876309394 /nfs/dbraw/zinc/30/93/94/876309394.db2.gz IAUVYQVIQBUXOO-UHFFFAOYSA-N 0 0 407.455 4.324 20 5 HIBDRN COC(=O)[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)c1ccccc1F ZINC000463256759 876313534 /nfs/dbraw/zinc/31/35/34/876313534.db2.gz KQECUSXNDINEIS-LJQANCHMSA-N 0 0 408.454 4.232 20 5 HIBDRN Cc1cccc(Oc2ncccc2NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1C ZINC000463285378 876344406 /nfs/dbraw/zinc/34/44/06/876344406.db2.gz JEWYRKQYMKFDQZ-UHFFFAOYSA-N 0 0 406.442 4.474 20 5 HIBDRN C[C@H](NC(=O)N(C)CCc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000463322662 876378970 /nfs/dbraw/zinc/37/89/70/876378970.db2.gz ZIGGLZSCKYKFHB-ZDUSSCGKSA-N 0 0 406.280 4.302 20 5 HIBDRN CN(CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1[N+](=O)[O-] ZINC000463348569 876401552 /nfs/dbraw/zinc/40/15/52/876401552.db2.gz AYFQGRLTVRKTIY-UHFFFAOYSA-N 0 0 402.410 4.478 20 5 HIBDRN COc1cc(OC)cc(-c2nnc(SCc3cc(OC)c(F)cc3[N+](=O)[O-])o2)c1 ZINC000463397028 876451572 /nfs/dbraw/zinc/45/15/72/876451572.db2.gz ZBGRKMGWLAEAIE-UHFFFAOYSA-N 0 0 421.406 4.102 20 5 HIBDRN O=C(c1cnnc(-c2ccccc2)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000463425991 876480696 /nfs/dbraw/zinc/48/06/96/876480696.db2.gz MKKZSUARKLJGAM-UHFFFAOYSA-N 0 0 416.359 4.257 20 5 HIBDRN CCc1nc2ccc(Cl)cn2c1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000463429991 876486267 /nfs/dbraw/zinc/48/62/67/876486267.db2.gz SIEOBZAEZNUXNY-UHFFFAOYSA-N 0 0 410.764 4.312 20 5 HIBDRN CN(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000463473880 876533877 /nfs/dbraw/zinc/53/38/77/876533877.db2.gz YPPWKJPHIRKACU-INIZCTEOSA-N 0 0 415.799 4.300 20 5 HIBDRN COc1cc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c([N+](=O)[O-])cc1F ZINC000463482307 876539585 /nfs/dbraw/zinc/53/95/85/876539585.db2.gz JJJQHUYMRSVOEY-SJLPKXTDSA-N 0 0 415.248 4.139 20 5 HIBDRN CC(C)OC(=O)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000463496271 876554756 /nfs/dbraw/zinc/55/47/56/876554756.db2.gz LMEVXAYWJVOAKF-SFHVURJKSA-N 0 0 413.474 4.127 20 5 HIBDRN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463503500 876565172 /nfs/dbraw/zinc/56/51/72/876565172.db2.gz SWWSTJJPORSVGO-LJQANCHMSA-N 0 0 419.485 4.100 20 5 HIBDRN O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000463534242 876611964 /nfs/dbraw/zinc/61/19/64/876611964.db2.gz GVIJFVMPOUQINB-UHFFFAOYSA-N 0 0 402.769 4.220 20 5 HIBDRN O=C(NCCCc1nc2c(s1)CCCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463541596 876622961 /nfs/dbraw/zinc/62/29/61/876622961.db2.gz CKBOKTRQMULHMB-UHFFFAOYSA-N 0 0 413.421 4.312 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(Nc2ccc(F)cc2)CC1 ZINC000463544927 876627696 /nfs/dbraw/zinc/62/76/96/876627696.db2.gz SGPLJQNGXLCUIU-UHFFFAOYSA-N 0 0 411.355 4.469 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000463587210 876692176 /nfs/dbraw/zinc/69/21/76/876692176.db2.gz HAFIHOVPBWLCPK-VHSXEESVSA-N 0 0 402.275 4.356 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)C2CC2)c2ncccc12 ZINC000463666953 876788140 /nfs/dbraw/zinc/78/81/40/876788140.db2.gz DMKPJPLOFAYBJJ-UHFFFAOYSA-N 0 0 417.874 4.150 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c2ncccc12 ZINC000463671833 876794323 /nfs/dbraw/zinc/79/43/23/876794323.db2.gz GXJNJBBCJZEMSL-MRXNPFEDSA-N 0 0 417.874 4.322 20 5 HIBDRN COc1ccc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)cc1[N+](=O)[O-] ZINC000463703252 876822476 /nfs/dbraw/zinc/82/24/76/876822476.db2.gz FCSFKVYIVDJWOI-UHFFFAOYSA-N 0 0 407.474 4.124 20 5 HIBDRN CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000463706612 876825219 /nfs/dbraw/zinc/82/52/19/876825219.db2.gz IRORSFASNBCPPK-MRXNPFEDSA-N 0 0 407.392 4.355 20 5 HIBDRN C[S@@](=O)Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl ZINC000463730576 876851825 /nfs/dbraw/zinc/85/18/25/876851825.db2.gz QBKPWRNIUGYYFF-HHHXNRCGSA-N 0 0 420.796 4.398 20 5 HIBDRN CN(CC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000463738238 876860116 /nfs/dbraw/zinc/86/01/16/876860116.db2.gz VXQCHDGWTPYYTF-GOSISDBHSA-N 0 0 405.907 4.001 20 5 HIBDRN CN(CC(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1)c1ccccc1[N+](=O)[O-] ZINC000463832555 876951708 /nfs/dbraw/zinc/95/17/08/876951708.db2.gz VYGHBLLGGJSVBL-UHFFFAOYSA-N 0 0 416.547 4.191 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N(CCCOc1ccccc1)C1CCOCC1 ZINC000463860096 876980374 /nfs/dbraw/zinc/98/03/74/876980374.db2.gz PHYJDVZKLHATPK-UHFFFAOYSA-N 0 0 423.469 4.166 20 5 HIBDRN C[C@H](c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)N1CCOCC1 ZINC000463867319 876987718 /nfs/dbraw/zinc/98/77/18/876987718.db2.gz STSJEFDYLPIVOD-CYBMUJFWSA-N 0 0 423.391 4.259 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)cc1SC ZINC000469020898 883087453 /nfs/dbraw/zinc/08/74/53/883087453.db2.gz NJMNFBKMBYQTRE-JTQLQIEISA-N 0 0 408.426 4.363 20 5 HIBDRN CC[C@@H](C)C[C@H](C)NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000463898190 877019285 /nfs/dbraw/zinc/01/92/85/877019285.db2.gz TYZFRVWBOSOCGX-OLZOCXBDSA-N 0 0 407.492 4.193 20 5 HIBDRN Cn1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463912066 877032874 /nfs/dbraw/zinc/03/28/74/877032874.db2.gz RKUXYHVSECSXMN-UHFFFAOYSA-N 0 0 423.860 4.103 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000463949302 877071597 /nfs/dbraw/zinc/07/15/97/877071597.db2.gz KGMKFUUTUKJFEI-QGZVFWFLSA-N 0 0 420.473 4.408 20 5 HIBDRN C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Oc1ccc(F)cc1 ZINC000463953437 877074994 /nfs/dbraw/zinc/07/49/94/877074994.db2.gz ZCXQMPLSGGKYLN-LBPRGKRZSA-N 0 0 401.419 4.055 20 5 HIBDRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)ccc2NC1=O ZINC000463958112 877081840 /nfs/dbraw/zinc/08/18/40/877081840.db2.gz MEAOADPGYUBRPM-ACJLOTCBSA-N 0 0 412.446 4.204 20 5 HIBDRN CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000463960751 877084941 /nfs/dbraw/zinc/08/49/41/877084941.db2.gz ZOAKAAMVVZYZEC-NQIIRXRSSA-N 0 0 422.489 4.301 20 5 HIBDRN CCOCCOc1cc(C)ccc1CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000463960344 877085297 /nfs/dbraw/zinc/08/52/97/877085297.db2.gz IRXKPUYCKHEYCQ-UHFFFAOYSA-N 0 0 401.463 4.257 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000463990760 877125631 /nfs/dbraw/zinc/12/56/31/877125631.db2.gz AMHNNQYJHKOHAB-JTQLQIEISA-N 0 0 402.756 4.464 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000464039548 877177767 /nfs/dbraw/zinc/17/77/67/877177767.db2.gz BGXQTXGFIXXPTI-NSHDSACASA-N 0 0 410.257 4.334 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000464050496 877191745 /nfs/dbraw/zinc/19/17/45/877191745.db2.gz DPGVLIQCRKQZGP-UHFFFAOYSA-N 0 0 422.268 4.262 20 5 HIBDRN COc1cc(CSCc2ccc(S(=O)(=O)C(C)C)cc2)c([N+](=O)[O-])cc1F ZINC000464070218 877218006 /nfs/dbraw/zinc/21/80/06/877218006.db2.gz ACGNQRRBURRBOS-UHFFFAOYSA-N 0 0 413.492 4.358 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NCc2cc(OC)c(F)cc2[N+](=O)[O-])cc1Cl ZINC000464085245 877237071 /nfs/dbraw/zinc/23/70/71/877237071.db2.gz OPSJAEGNYLXMOV-UHFFFAOYSA-N 0 0 409.845 4.490 20 5 HIBDRN COc1cc(CNc2ccc(S(=O)(=O)C3CCCC3)cc2)c([N+](=O)[O-])cc1F ZINC000464085208 877237779 /nfs/dbraw/zinc/23/77/79/877237779.db2.gz NYEHENXZQWCUOI-UHFFFAOYSA-N 0 0 408.451 4.071 20 5 HIBDRN CCc1cnc(CCNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000464139579 877304466 /nfs/dbraw/zinc/30/44/66/877304466.db2.gz WXXAGDOJLALTPM-GASCZTMLSA-N 0 0 416.547 4.069 20 5 HIBDRN CCc1cnc(CCNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000464139583 877304647 /nfs/dbraw/zinc/30/46/47/877304647.db2.gz WXXAGDOJLALTPM-GJZGRUSLSA-N 0 0 416.547 4.069 20 5 HIBDRN COc1cc(C(=O)NCC(C)(C)c2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000464157821 877325599 /nfs/dbraw/zinc/32/55/99/877325599.db2.gz GLQQISQBXZGAPL-UHFFFAOYSA-N 0 0 410.829 4.112 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCCC2)c2ncccc12 ZINC000464222405 877395738 /nfs/dbraw/zinc/39/57/38/877395738.db2.gz GGCLPXVFRJGNJM-UHFFFAOYSA-N 0 0 415.446 4.420 20 5 HIBDRN COc1ccc(CSCC(=O)NCCc2c(C)oc3ccccc32)cc1[N+](=O)[O-] ZINC000464273071 877457807 /nfs/dbraw/zinc/45/78/07/877457807.db2.gz 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ZINC000466314333 880067881 /nfs/dbraw/zinc/06/78/81/880067881.db2.gz NBECEYYPAFVDHQ-IBGZPJMESA-N 0 0 417.893 4.018 20 5 HIBDRN O=C(Nc1ccc(OCc2cn3ccccc3n2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466337912 880093797 /nfs/dbraw/zinc/09/37/97/880093797.db2.gz PHZLVGTXFCZGET-UHFFFAOYSA-N 0 0 406.373 4.213 20 5 HIBDRN CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccc2cccnc21 ZINC000466369457 880128301 /nfs/dbraw/zinc/12/83/01/880128301.db2.gz YGEZLQIYEJMZMI-UHFFFAOYSA-N 0 0 405.332 4.361 20 5 HIBDRN CC(C)(C(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1)n1cc([N+](=O)[O-])cn1 ZINC000466401133 880166774 /nfs/dbraw/zinc/16/67/74/880166774.db2.gz HOCJGPNHZOYDNP-HNNXBMFYSA-N 0 0 412.515 4.222 20 5 HIBDRN COc1cccc(C(=O)Nc2cc(F)c(Br)cc2Cl)c1[N+](=O)[O-] ZINC000466450455 880228529 /nfs/dbraw/zinc/22/85/29/880228529.db2.gz VPVSTHXDOQGMQO-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C ZINC000466499734 880275647 /nfs/dbraw/zinc/27/56/47/880275647.db2.gz NKXPVZJZPGJQTP-UHFFFAOYSA-N 0 0 424.457 4.466 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000466501995 880276907 /nfs/dbraw/zinc/27/69/07/880276907.db2.gz AFWIKLVPDHTIIM-GOSISDBHSA-N 0 0 419.865 4.040 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000466502044 880277089 /nfs/dbraw/zinc/27/70/89/880277089.db2.gz AMNYOSMUBACSQM-UHFFFAOYSA-N 0 0 401.419 4.432 20 5 HIBDRN O=[N+]([O-])c1ccc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000466523131 880300000 /nfs/dbraw/zinc/30/00/00/880300000.db2.gz TZKNJPJIBBAPPZ-UHFFFAOYSA-N 0 0 409.678 4.175 20 5 HIBDRN CCOc1cc(NC(=O)NC[C@H](OC)c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC ZINC000466550663 880324325 /nfs/dbraw/zinc/32/43/25/880324325.db2.gz GHULWHRXZVRRDO-IBGZPJMESA-N 0 0 421.425 4.041 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000466584236 880358030 /nfs/dbraw/zinc/35/80/30/880358030.db2.gz BNNGOEFAPWONPK-QFBILLFUSA-N 0 0 403.866 4.215 20 5 HIBDRN 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ZINC000466859794 880630287 /nfs/dbraw/zinc/63/02/87/880630287.db2.gz RHXIOWBWAZYEGT-LLVKDONJSA-N 0 0 423.438 4.062 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2Br)cc1SC ZINC000466886920 880654178 /nfs/dbraw/zinc/65/41/78/880654178.db2.gz HSAWTQWBBRJKFU-UHFFFAOYSA-N 0 0 415.240 4.479 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000466889398 880657421 /nfs/dbraw/zinc/65/74/21/880657421.db2.gz XHPLGTUHSLKGAB-UHFFFAOYSA-N 0 0 406.797 4.078 20 5 HIBDRN Cc1noc(C2CC2)c1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000466907215 880674734 /nfs/dbraw/zinc/67/47/34/880674734.db2.gz DEDJXEOTQKWUFK-UHFFFAOYSA-N 0 0 413.356 4.021 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000512371661 921112555 /nfs/dbraw/zinc/11/25/55/921112555.db2.gz KXSOLXPIBIGKJP-FQEVSTJZSA-N 0 0 414.824 4.145 20 5 HIBDRN Cc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000466958336 880742957 /nfs/dbraw/zinc/74/29/57/880742957.db2.gz 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COc1cc(C(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000503549137 912616103 /nfs/dbraw/zinc/61/61/03/912616103.db2.gz ZOMAJBDLDCRYMM-UHFFFAOYSA-N 0 0 422.441 4.318 20 5 HIBDRN COCc1ccc([C@H]2CCCN2[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000467119677 880875544 /nfs/dbraw/zinc/87/55/44/880875544.db2.gz BTENYSATGPWOET-SJKOYZFVSA-N 0 0 407.854 4.152 20 5 HIBDRN Cc1nc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Br ZINC000467127414 880880028 /nfs/dbraw/zinc/88/00/28/880880028.db2.gz HEFVMSKNGOXDMT-UHFFFAOYSA-N 0 0 404.142 4.332 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(CN2CCCCC2=O)c1 ZINC000467155162 880890489 /nfs/dbraw/zinc/89/04/89/880890489.db2.gz LZDPEGFORBGLRJ-UHFFFAOYSA-N 0 0 416.865 4.082 20 5 HIBDRN COCCOc1c(Cl)cccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467162112 880893419 /nfs/dbraw/zinc/89/34/19/880893419.db2.gz YNLLGWLIFPCBQK-UHFFFAOYSA-N 0 0 414.245 4.249 20 5 HIBDRN CN(C[C@H]1CCCCO1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467197020 880926978 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C[C@H]1CCCN(c2ccc(C(=O)N(C)[C@@H](CCO)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000503578278 912662173 /nfs/dbraw/zinc/66/21/73/912662173.db2.gz DZAMUMSSERNSHE-PXNSSMCTSA-N 0 0 411.502 4.027 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000467474403 881291999 /nfs/dbraw/zinc/29/19/99/881291999.db2.gz GJKXNMKKFMFJPJ-HXUWFJFHSA-N 0 0 407.474 4.301 20 5 HIBDRN Cn1ccnc1CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467515181 881329683 /nfs/dbraw/zinc/32/96/83/881329683.db2.gz WLEYPSHIDYOPFI-UHFFFAOYSA-N 0 0 402.863 4.063 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)cc1[N+](=O)[O-] ZINC000469121150 883215366 /nfs/dbraw/zinc/21/53/66/883215366.db2.gz VOTMPELLNXZPOG-CYBMUJFWSA-N 0 0 417.437 4.092 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469162780 883258825 /nfs/dbraw/zinc/25/88/25/883258825.db2.gz SOPIYCFAGGBNCM-OAHLLOKOSA-N 0 0 401.413 4.103 20 5 HIBDRN Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(-n2cc(Cl)cn2)n1 ZINC000469218116 883318475 /nfs/dbraw/zinc/31/84/75/883318475.db2.gz HFAUVXCOINJDKH-UHFFFAOYSA-N 0 0 421.244 4.112 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000503602824 912696580 /nfs/dbraw/zinc/69/65/80/912696580.db2.gz OMRBQZSWYQVDJW-MRXNPFEDSA-N 0 0 419.547 4.008 20 5 HIBDRN Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000469266314 883364703 /nfs/dbraw/zinc/36/47/03/883364703.db2.gz ZTSPTZQFOIKIQC-UHFFFAOYSA-N 0 0 418.409 4.579 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(OC)c(OC)cc1OC ZINC000503608319 912707065 /nfs/dbraw/zinc/70/70/65/912707065.db2.gz BRWZNJHJLKRJET-UHFFFAOYSA-N 0 0 406.460 4.375 20 5 HIBDRN Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000503612484 912712616 /nfs/dbraw/zinc/71/26/16/912712616.db2.gz BKBYOCOIQGDXPN-UHFFFAOYSA-N 0 0 411.418 4.352 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC)cc1Cl ZINC000503624219 912724289 /nfs/dbraw/zinc/72/42/89/912724289.db2.gz CSHHHRQJKALXMN-UHFFFAOYSA-N 0 0 407.879 4.362 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCC(=Cc3ccc(F)c(F)c3)CC2)c2c(c1)COCO2 ZINC000469446148 883643014 /nfs/dbraw/zinc/64/30/14/883643014.db2.gz LHEUYFLEXQPHQB-UHFFFAOYSA-N 0 0 402.397 4.419 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](Oc2ccncc2)C1 ZINC000469692700 883873785 /nfs/dbraw/zinc/87/37/85/883873785.db2.gz JAIOGKIKPCRMTB-NRFANRHFSA-N 0 0 420.425 4.467 20 5 HIBDRN COC(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000469850851 884034757 /nfs/dbraw/zinc/03/47/57/884034757.db2.gz FUWJGZXZHIGVJD-UHFFFAOYSA-N 0 0 404.422 4.287 20 5 HIBDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000469888546 884079775 /nfs/dbraw/zinc/07/97/75/884079775.db2.gz LJQJCQRLEKFNIB-UHFFFAOYSA-N 0 0 419.359 4.165 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000503679854 912786590 /nfs/dbraw/zinc/78/65/90/912786590.db2.gz LONFPSRAVARTQC-OAHLLOKOSA-N 0 0 402.520 4.162 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](CC)C2)cc([N+](=O)[O-])c1 ZINC000470007877 884224786 /nfs/dbraw/zinc/22/47/86/884224786.db2.gz GTBULNJUEDKYQS-IIBYNOLFSA-N 0 0 410.470 4.427 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1c1ccccc1 ZINC000470013500 884231208 /nfs/dbraw/zinc/23/12/08/884231208.db2.gz OSWCORIZSJSVCE-DYESRHJHSA-N 0 0 404.470 4.436 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc([N+](=O)[O-])c1 ZINC000470020037 884236874 /nfs/dbraw/zinc/23/68/74/884236874.db2.gz WSKZXDVPSUEVRC-OAHLLOKOSA-N 0 0 419.437 4.325 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2nccn2C)cs1 ZINC000503698601 912801799 /nfs/dbraw/zinc/80/17/99/912801799.db2.gz JZLWAXJGWBAHHI-UHFFFAOYSA-N 0 0 403.489 4.206 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000503707109 912804286 /nfs/dbraw/zinc/80/42/86/912804286.db2.gz HKVYEFVBCHZPQZ-UHFFFAOYSA-N 0 0 424.432 4.430 20 5 HIBDRN COC(=O)[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)[C@@H]1C ZINC000470052309 884300182 /nfs/dbraw/zinc/30/01/82/884300182.db2.gz ZGLYNDPMDSUXJZ-MLGOLLRUSA-N 0 0 418.833 4.064 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cc1[N+](=O)[O-] ZINC000470079119 884336024 /nfs/dbraw/zinc/33/60/24/884336024.db2.gz NUUSOLIBOKRQIE-LBPRGKRZSA-N 0 0 409.202 4.469 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2-n2cccn2)cc1SC ZINC000470094973 884353430 /nfs/dbraw/zinc/35/34/30/884353430.db2.gz BFEDNHAYHWCPIE-CYBMUJFWSA-N 0 0 412.471 4.002 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N(CCCOc1ccccc1)C1CCOCC1 ZINC000470116120 884376418 /nfs/dbraw/zinc/37/64/18/884376418.db2.gz DFCHYTQFTAWFJS-UHFFFAOYSA-N 0 0 417.437 4.216 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000470122004 884383723 /nfs/dbraw/zinc/38/37/23/884383723.db2.gz MOLZDRFGZOHKJT-MRXNPFEDSA-N 0 0 413.327 4.358 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000470135240 884399782 /nfs/dbraw/zinc/39/97/82/884399782.db2.gz WDCMUKLDWDMNKB-JKSUJKDBSA-N 0 0 413.327 4.093 20 5 HIBDRN C[C@@H](N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(C)(C)C ZINC000470197234 884505395 /nfs/dbraw/zinc/50/53/95/884505395.db2.gz ZAEQDNHELQIFFE-OAHLLOKOSA-N 0 0 418.515 4.075 20 5 HIBDRN COc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1 ZINC000470241058 884570285 /nfs/dbraw/zinc/57/02/85/884570285.db2.gz DNWVZLPMSXKBNE-UHFFFAOYSA-N 0 0 401.366 4.056 20 5 HIBDRN O=C(C[C@H](c1cccs1)n1cccc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000503884086 912850983 /nfs/dbraw/zinc/85/09/83/912850983.db2.gz KVOBPBUCPWHLQU-QGZVFWFLSA-N 0 0 403.891 4.450 20 5 HIBDRN Cc1ccc(-c2cnc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)s2)c(C)c1 ZINC000470343563 884732996 /nfs/dbraw/zinc/73/29/96/884732996.db2.gz IHYSDTOBLJKURQ-UHFFFAOYSA-N 0 0 424.482 4.094 20 5 HIBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000470379764 884777533 /nfs/dbraw/zinc/77/75/33/884777533.db2.gz PRDZLGUDWNSOHF-LLVKDONJSA-N 0 0 413.257 4.497 20 5 HIBDRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)n1 ZINC000470391028 884794455 /nfs/dbraw/zinc/79/44/55/884794455.db2.gz ZEQDRKAFEBTLSE-CYBMUJFWSA-N 0 0 412.471 4.075 20 5 HIBDRN CC(C)[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000470393937 884800345 /nfs/dbraw/zinc/80/03/45/884800345.db2.gz OIQRQTMVRNUBOA-NVXWUHKLSA-N 0 0 413.499 4.047 20 5 HIBDRN C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000470402102 884807697 /nfs/dbraw/zinc/80/76/97/884807697.db2.gz YWNVHJDWOPKLEY-AWEZNQCLSA-N 0 0 410.861 4.147 20 5 HIBDRN CCOc1ccc([C@@H](C)[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000503921408 912866099 /nfs/dbraw/zinc/86/60/99/912866099.db2.gz UXIPBKOBDAZOLE-YLJYHZDGSA-N 0 0 407.470 4.247 20 5 HIBDRN C[C@H](C(=O)N1CCN(c2cccc3cnccc32)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000470418044 884821011 /nfs/dbraw/zinc/82/10/11/884821011.db2.gz DZGLQQWANJLGKJ-CVEARBPZSA-N 0 0 422.460 4.123 20 5 HIBDRN COc1ccc(NC(=O)N[C@H](C)c2ccc(Br)cc2OC)cc1[N+](=O)[O-] ZINC000470420815 884823194 /nfs/dbraw/zinc/82/31/94/884823194.db2.gz ZGVWWFSKNXRRDJ-SNVBAGLBSA-N 0 0 424.251 4.257 20 5 HIBDRN Cc1coc(-c2ccc(C)c(NC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)c2)n1 ZINC000470423390 884825347 /nfs/dbraw/zinc/82/53/47/884825347.db2.gz ANABSUCJJPMJHK-UHFFFAOYSA-N 0 0 408.414 4.162 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1CNc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000470557662 884972832 /nfs/dbraw/zinc/97/28/32/884972832.db2.gz ZDGNPOTXZKLRHM-UHFFFAOYSA-N 0 0 420.256 4.500 20 5 HIBDRN CSc1cccc([C@@H](NCc2c([N+](=O)[O-])ncn2C)c2ccc(F)c(F)c2)c1 ZINC000470563394 884979437 /nfs/dbraw/zinc/97/94/37/884979437.db2.gz MFRHBIKKCXZTLM-GOSISDBHSA-N 0 0 404.442 4.208 20 5 HIBDRN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000470580999 884996625 /nfs/dbraw/zinc/99/66/25/884996625.db2.gz FEXDBNDAZJTFOV-LJQANCHMSA-N 0 0 401.850 4.118 20 5 HIBDRN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000470585500 885001705 /nfs/dbraw/zinc/00/17/05/885001705.db2.gz XJXHMCJHUPLSIN-OAHLLOKOSA-N 0 0 414.792 4.309 20 5 HIBDRN CCC1(CC)CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[S@]1=O ZINC000470599056 885023887 /nfs/dbraw/zinc/02/38/87/885023887.db2.gz CZRXJVQLQCEBLE-GDLZYMKVSA-N 0 0 415.515 4.102 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000470630611 885055386 /nfs/dbraw/zinc/05/53/86/885055386.db2.gz BMPDNAOEZQQBOQ-UHFFFAOYSA-N 0 0 422.825 4.313 20 5 HIBDRN CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)Cn3cc([N+](=O)[O-])cn3)c2)cc1 ZINC000470663001 885088834 /nfs/dbraw/zinc/08/88/34/885088834.db2.gz UXZFBCGGSOALMK-QGZVFWFLSA-N 0 0 422.485 4.465 20 5 HIBDRN CC[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000470673021 885103350 /nfs/dbraw/zinc/10/33/50/885103350.db2.gz NPOJRELQOSIVSO-ZDUSSCGKSA-N 0 0 406.426 4.027 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1CCN(c2ccccc2)CC1 ZINC000470677861 885108812 /nfs/dbraw/zinc/10/88/12/885108812.db2.gz KVPUSUHNEYEPTG-OAHLLOKOSA-N 0 0 417.893 4.048 20 5 HIBDRN Cc1nn(CCC(=O)N2CCC(C)(c3ccc(Cl)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000470682292 885114176 /nfs/dbraw/zinc/11/41/76/885114176.db2.gz KYZBUVCXUASLNB-UHFFFAOYSA-N 0 0 404.898 4.032 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000470686947 885121162 /nfs/dbraw/zinc/12/11/62/885121162.db2.gz ZBWQSSJEFOOBNT-SPLOXXLWSA-N 0 0 412.442 4.035 20 5 HIBDRN CCn1c(SCC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 ZINC000470705696 885143562 /nfs/dbraw/zinc/14/35/62/885143562.db2.gz ZFPJIEPEUVLMME-UHFFFAOYSA-N 0 0 415.450 4.052 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000470712355 885150107 /nfs/dbraw/zinc/15/01/07/885150107.db2.gz XCBJVXQIJDJNLX-UHFFFAOYSA-N 0 0 406.486 4.498 20 5 HIBDRN Cc1coc(-c2ccc(C)c(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)c2)n1 ZINC000470777649 885247244 /nfs/dbraw/zinc/24/72/44/885247244.db2.gz YVSDXBAGKJKPMX-UHFFFAOYSA-N 0 0 404.382 4.373 20 5 HIBDRN Cc1cc(NCc2ccccc2-c2ccc(Cn3cncn3)cc2)ncc1[N+](=O)[O-] ZINC000470863590 885353779 /nfs/dbraw/zinc/35/37/79/885353779.db2.gz VEEZTHUMGPVFGF-UHFFFAOYSA-N 0 0 400.442 4.217 20 5 HIBDRN Cc1cc(Sc2nc3sc(-c4ccccc4)cc3c(=O)n2C)ncc1[N+](=O)[O-] ZINC000470860358 885354892 /nfs/dbraw/zinc/35/48/92/885354892.db2.gz SLWKZTAOQCYZOY-UHFFFAOYSA-N 0 0 410.480 4.425 20 5 HIBDRN Cc1nc(N2CCC[C@@H]2c2ccccc2I)ccc1[N+](=O)[O-] ZINC000471051679 885565924 /nfs/dbraw/zinc/56/59/24/885565924.db2.gz BIIAVDXNLBKVFE-OAHLLOKOSA-N 0 0 409.227 4.244 20 5 HIBDRN Cc1nc(Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)ccc1[N+](=O)[O-] ZINC000471058890 885573397 /nfs/dbraw/zinc/57/33/97/885573397.db2.gz GQQDSGRHMOYXSN-UHFFFAOYSA-N 0 0 419.409 4.294 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504048656 912955174 /nfs/dbraw/zinc/95/51/74/912955174.db2.gz LZUGDMKVZLUINB-UHFFFAOYSA-N 0 0 408.241 4.018 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(Br)ccc2NC2CC2)cc1[N+](=O)[O-] ZINC000471129864 885668781 /nfs/dbraw/zinc/66/87/81/885668781.db2.gz FBHSABJXXCGARU-UHFFFAOYSA-N 0 0 406.236 4.193 20 5 HIBDRN CCCC1(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000471173072 885731458 /nfs/dbraw/zinc/73/14/58/885731458.db2.gz OOHWHCOGYDNGMJ-UHFFFAOYSA-N 0 0 417.487 4.223 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCSc2ccc(F)cc21 ZINC000471235572 885811226 /nfs/dbraw/zinc/81/12/26/885811226.db2.gz GHVWGNLTPLWBBH-UHFFFAOYSA-N 0 0 401.463 4.477 20 5 HIBDRN CCC1(CC)CN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000504073743 912976008 /nfs/dbraw/zinc/97/60/08/912976008.db2.gz HJEOJLJGACDWBZ-UHFFFAOYSA-N 0 0 409.486 4.154 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(=O)OC)cc1C ZINC000504074269 912978741 /nfs/dbraw/zinc/97/87/41/912978741.db2.gz UYHKYBSZEPTVRF-UHFFFAOYSA-N 0 0 418.471 4.209 20 5 HIBDRN CCCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCC)c1 ZINC000504077051 912981070 /nfs/dbraw/zinc/98/10/70/912981070.db2.gz QIXAPRLEQYJLQS-UHFFFAOYSA-N 0 0 415.515 4.167 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1SC ZINC000471310528 885899411 /nfs/dbraw/zinc/89/94/11/885899411.db2.gz GKMJCMGEDZXEJK-UHFFFAOYSA-N 0 0 406.529 4.327 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)n1 ZINC000504079171 912985521 /nfs/dbraw/zinc/98/55/21/912985521.db2.gz UTFUZBHOVPNGLQ-UHFFFAOYSA-N 0 0 408.201 4.075 20 5 HIBDRN COc1cc(C(=O)N2CC[C@H](c3ccc(C)cc3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000471330803 885929269 /nfs/dbraw/zinc/92/92/69/885929269.db2.gz SPBWSFLARTUJIS-AWEZNQCLSA-N 0 0 420.412 4.451 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)cc1[N+](=O)[O-] ZINC000471338718 885944115 /nfs/dbraw/zinc/94/41/15/885944115.db2.gz ZWQVGGGXTFFJAV-UHFFFAOYSA-N 0 0 407.426 4.392 20 5 HIBDRN Cc1ccc([C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccn2)cc1 ZINC000471389360 886038154 /nfs/dbraw/zinc/03/81/54/886038154.db2.gz IRGHBCPGOHQPPO-QHCPKHFHSA-N 0 0 400.438 4.159 20 5 HIBDRN COc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(-n2cccn2)c1 ZINC000471476977 886171413 /nfs/dbraw/zinc/17/14/13/886171413.db2.gz RGFVSWBYQFNCEQ-UHFFFAOYSA-N 0 0 409.446 4.232 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000471483229 886180376 /nfs/dbraw/zinc/18/03/76/886180376.db2.gz ALXXJFOKEGNALB-KRWDZBQOSA-N 0 0 407.474 4.462 20 5 HIBDRN CCOc1cc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000471504636 886205791 /nfs/dbraw/zinc/20/57/91/886205791.db2.gz USAKIAHLJUHVJP-HOCLYGCPSA-N 0 0 402.422 4.207 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCN(C)c3ccc(Cl)cc32)cc1SC ZINC000471517123 886219280 /nfs/dbraw/zinc/21/92/80/886219280.db2.gz XKMHABVUVSQSFL-UHFFFAOYSA-N 0 0 407.879 4.075 20 5 HIBDRN COc1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc(-n2cccn2)c1 ZINC000471540072 886245604 /nfs/dbraw/zinc/24/56/04/886245604.db2.gz SQXZYNZBCGIQAQ-UHFFFAOYSA-N 0 0 421.438 4.165 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ncccc1OCc1cccc(Cl)c1 ZINC000471544274 886250865 /nfs/dbraw/zinc/25/08/65/886250865.db2.gz ZEWACDLFBHMICU-UHFFFAOYSA-N 0 0 413.817 4.240 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000471552211 886260470 /nfs/dbraw/zinc/26/04/70/886260470.db2.gz QZIODQIIRKSEJO-AEFFLSMTSA-N 0 0 418.490 4.428 20 5 HIBDRN COc1ccccc1OCC(=O)Nc1cccc(Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000471627549 886344787 /nfs/dbraw/zinc/34/47/87/886344787.db2.gz MYLSKYKWJYUHQK-UHFFFAOYSA-N 0 0 408.414 4.068 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2cccc(Cl)c2F)cc1OC ZINC000471635353 886353593 /nfs/dbraw/zinc/35/35/93/886353593.db2.gz QGVIXBVCZGFROG-UHFFFAOYSA-N 0 0 410.829 4.460 20 5 HIBDRN CC(C)n1nc2c(c1NC(=O)c1ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c1)CCC2 ZINC000471675424 886386380 /nfs/dbraw/zinc/38/63/80/886386380.db2.gz DIVOAIHHDQJREH-HNNXBMFYSA-N 0 0 411.506 4.350 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)NC[C@@H]3CCC[C@H](O)C3)cc2[N+](=O)[O-])cc1 ZINC000504158771 913051126 /nfs/dbraw/zinc/05/11/26/913051126.db2.gz ZYRZYCPNZQPNIB-WBVHZDCISA-N 0 0 400.500 4.335 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)NC[C@H]3CCC[C@@H](O)C3)cc2[N+](=O)[O-])cc1 ZINC000504158768 913051172 /nfs/dbraw/zinc/05/11/72/913051172.db2.gz ZYRZYCPNZQPNIB-DOTOQJQBSA-N 0 0 400.500 4.335 20 5 HIBDRN CCOc1cc(C(=O)NCCOc2cccc(C(C)(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000504162005 913053052 /nfs/dbraw/zinc/05/30/52/913053052.db2.gz HDVBSXUPBFJUIO-UHFFFAOYSA-N 0 0 416.474 4.108 20 5 HIBDRN CCOc1cc(C(=O)Nc2ccc(Oc3ccccn3)cc2)c([N+](=O)[O-])cc1OC ZINC000504175479 913059344 /nfs/dbraw/zinc/05/93/44/913059344.db2.gz OBPOEOOXWPDJRI-UHFFFAOYSA-N 0 0 409.398 4.442 20 5 HIBDRN C[C@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1 ZINC000504175843 913059428 /nfs/dbraw/zinc/05/94/28/913059428.db2.gz OPGDTKNWXBSBKM-GFCCVEGCSA-N 0 0 414.405 4.289 20 5 HIBDRN COc1ccc(CNC(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)cc1[N+](=O)[O-] ZINC000471836642 886593825 /nfs/dbraw/zinc/59/38/25/886593825.db2.gz IYUWNJWNYBQUNB-HNNXBMFYSA-N 0 0 409.446 4.039 20 5 HIBDRN COCCC1(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000471838798 886596728 /nfs/dbraw/zinc/59/67/28/886596728.db2.gz WIUDFFOBTLSMDO-UHFFFAOYSA-N 0 0 420.453 4.419 20 5 HIBDRN Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000471843336 886603472 /nfs/dbraw/zinc/60/34/72/886603472.db2.gz HMWHGZQRTSKFKH-MRXNPFEDSA-N 0 0 421.457 4.004 20 5 HIBDRN CCCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000504179754 913063536 /nfs/dbraw/zinc/06/35/36/913063536.db2.gz YMCNQOWOZWUPKP-OAHLLOKOSA-N 0 0 408.458 4.346 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2ncccc12)Nc1ccc(OC(F)(F)F)cc1 ZINC000471876684 886655071 /nfs/dbraw/zinc/65/50/71/886655071.db2.gz NNBWRRXDDPWQIM-UHFFFAOYSA-N 0 0 407.304 4.059 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2cccc(I)c2C)cc1[N+](=O)[O-] ZINC000471912800 886699846 /nfs/dbraw/zinc/69/98/46/886699846.db2.gz XQADYEFGWGYIHS-GFCCVEGCSA-N 0 0 424.238 4.307 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(Cc3nnc4ccccn43)cc2)cc1[N+](=O)[O-] ZINC000471917953 886706892 /nfs/dbraw/zinc/70/68/92/886706892.db2.gz HMVDFPHUFNQKPY-UHFFFAOYSA-N 0 0 401.426 4.043 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471928895 886720091 /nfs/dbraw/zinc/72/00/91/886720091.db2.gz SLLVPSWMHBEUOZ-MSOLQXFVSA-N 0 0 406.845 4.263 20 5 HIBDRN CCN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471928950 886720374 /nfs/dbraw/zinc/72/03/74/886720374.db2.gz TWTUPJBOLXZHMT-MJGOQNOKSA-N 0 0 422.407 4.278 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471928898 886720502 /nfs/dbraw/zinc/72/05/02/886720502.db2.gz SLLVPSWMHBEUOZ-ZWKOTPCHSA-N 0 0 406.845 4.263 20 5 HIBDRN CCCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504194989 913078773 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4.303 20 5 HIBDRN CCOC(=O)C1(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000472301007 887122403 /nfs/dbraw/zinc/12/24/03/887122403.db2.gz ZZXQBGWWJWCZQK-UHFFFAOYSA-N 0 0 418.833 4.114 20 5 HIBDRN CCc1c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cnn1-c1ccccc1C ZINC000472332936 887166308 /nfs/dbraw/zinc/16/63/08/887166308.db2.gz ABERAUQTEDMCCC-UHFFFAOYSA-N 0 0 401.426 4.452 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000472397449 887243526 /nfs/dbraw/zinc/24/35/26/887243526.db2.gz NQLHERQQMRKCJM-LLVKDONJSA-N 0 0 416.434 4.305 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000472401905 887249716 /nfs/dbraw/zinc/24/97/16/887249716.db2.gz HPOYJAREXGBNNG-NSHDSACASA-N 0 0 400.822 4.352 20 5 HIBDRN Cc1cc(N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000472508015 887375829 /nfs/dbraw/zinc/37/58/29/887375829.db2.gz YYORVURMJSYFNF-INIZCTEOSA-N 0 0 418.432 4.276 20 5 HIBDRN CC[C@H](C)[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000472609716 887479819 /nfs/dbraw/zinc/47/98/19/887479819.db2.gz MAIULQIZOCRYIG-APPDUMDISA-N 0 0 407.829 4.229 20 5 HIBDRN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472622830 887489584 /nfs/dbraw/zinc/48/95/84/887489584.db2.gz JHSRODJTNNPKDM-JOCHJYFZSA-N 0 0 406.442 4.115 20 5 HIBDRN CCOc1ccc(C(=O)CCC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)cc1F ZINC000472643480 887507803 /nfs/dbraw/zinc/50/78/03/887507803.db2.gz ABQRDKCIITXHPS-SFHVURJKSA-N 0 0 402.422 4.363 20 5 HIBDRN CCC(C)(C)OCc1cccc(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1C ZINC000472686399 887539441 /nfs/dbraw/zinc/53/94/41/887539441.db2.gz OKVWKLAEJUJCGX-UHFFFAOYSA-N 0 0 417.437 4.325 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)c2ccccc21 ZINC000472694129 887548387 /nfs/dbraw/zinc/54/83/87/887548387.db2.gz STMYPRAGZLDCFA-NSHDSACASA-N 0 0 415.808 4.356 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000472735200 887580673 /nfs/dbraw/zinc/58/06/73/887580673.db2.gz YMMOYULEZFRASN-UHFFFAOYSA-N 0 0 419.840 4.297 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2nn([C@H](C)c3ccccc3)cc2C)cc([N+](=O)[O-])c1 ZINC000472835904 887686793 /nfs/dbraw/zinc/68/67/93/887686793.db2.gz PGCUEPJWWDYNNI-OAHLLOKOSA-N 0 0 422.441 4.138 20 5 HIBDRN Cc1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(-c2nc(C3CC3)no2)c1 ZINC000472838802 887690482 /nfs/dbraw/zinc/69/04/82/887690482.db2.gz WYUANVTZQOMEFL-UHFFFAOYSA-N 0 0 407.430 4.495 20 5 HIBDRN Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000472839113 887690771 /nfs/dbraw/zinc/69/07/71/887690771.db2.gz HKQJUDMIEQHYCO-OAHLLOKOSA-N 0 0 403.442 4.372 20 5 HIBDRN Cc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1I ZINC000504327916 913171913 /nfs/dbraw/zinc/17/19/13/913171913.db2.gz AXERZCAKPOKRCN-NSHDSACASA-N 0 0 422.222 4.099 20 5 HIBDRN CO[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC000472951754 887801120 /nfs/dbraw/zinc/80/11/20/887801120.db2.gz KHOWGVJAJWFWDG-HOCLYGCPSA-N 0 0 403.866 4.158 20 5 HIBDRN C[C@@H]1C[C@@H](O)CN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000473009067 887839239 /nfs/dbraw/zinc/83/92/39/887839239.db2.gz LXBRKIXLIHBMJM-DSSNTAQOSA-N 0 0 423.494 4.117 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2C)cc1[N+](=O)[O-] ZINC000473224015 887997451 /nfs/dbraw/zinc/99/74/51/887997451.db2.gz XVMOJZYFDQHUHA-GFCCVEGCSA-N 0 0 409.364 4.046 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000473293778 888046231 /nfs/dbraw/zinc/04/62/31/888046231.db2.gz RCOCXSJNCKTHJS-AUUYWEPGSA-N 0 0 408.462 4.013 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1n[nH]c(-c2ccccc2)c1Br ZINC000473348466 888076724 /nfs/dbraw/zinc/07/67/24/888076724.db2.gz JHSHEJHLZXQWBW-UHFFFAOYSA-N 0 0 405.183 4.139 20 5 HIBDRN CCC1(CC)CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c2ccc(Br)cc21 ZINC000473368348 888088485 /nfs/dbraw/zinc/08/84/85/888088485.db2.gz KCVMBYDGOIJDLW-UHFFFAOYSA-N 0 0 407.268 4.107 20 5 HIBDRN COc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000504387799 913211862 /nfs/dbraw/zinc/21/18/62/913211862.db2.gz MABJKZQXXLESGW-STQMWFEESA-N 0 0 405.476 4.042 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000504402026 913221927 /nfs/dbraw/zinc/22/19/27/913221927.db2.gz URVDDQRQSSZIBJ-NSHDSACASA-N 0 0 409.423 4.038 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000473507810 888236506 /nfs/dbraw/zinc/23/65/06/888236506.db2.gz LWUMEOAUYNVUKE-UHFFFAOYSA-N 0 0 422.754 4.470 20 5 HIBDRN O=C(c1cccc(Cl)c1)N1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473518159 888249978 /nfs/dbraw/zinc/24/99/78/888249978.db2.gz KCCFCHIICLNHJE-UHFFFAOYSA-N 0 0 410.861 4.149 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N[C@H](CCO)c1ccccc1Br ZINC000473522672 888258451 /nfs/dbraw/zinc/25/84/51/888258451.db2.gz TVKLPRHLYKRSNT-MRXNPFEDSA-N 0 0 402.248 4.441 20 5 HIBDRN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(C)(C)c1ccccc1 ZINC000473531332 888268055 /nfs/dbraw/zinc/26/80/55/888268055.db2.gz TZGJFHWADHSJIW-ZDUSSCGKSA-N 0 0 405.292 4.382 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000473535232 888273236 /nfs/dbraw/zinc/27/32/36/888273236.db2.gz RWWLDMPMRHHTSO-GOSISDBHSA-N 0 0 414.259 4.483 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1 ZINC000473585461 888327621 /nfs/dbraw/zinc/32/76/21/888327621.db2.gz CJOYWPOFMUPKFG-UHFFFAOYSA-N 0 0 412.471 4.190 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000473698149 888473581 /nfs/dbraw/zinc/47/35/81/888473581.db2.gz RDBZUWPUOAGDDW-UHFFFAOYSA-N 0 0 413.499 4.160 20 5 HIBDRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000473762713 888559162 /nfs/dbraw/zinc/55/91/62/888559162.db2.gz HDGPTAQKFNPTKT-UHFFFAOYSA-N 0 0 413.434 4.347 20 5 HIBDRN Cc1cc(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000473774554 888575469 /nfs/dbraw/zinc/57/54/69/888575469.db2.gz TXIFYOWUQFXNTM-UHFFFAOYSA-N 0 0 403.866 4.427 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CSc3n[nH]c(COc4ccc(Cl)cc4)n3)nc2c1 ZINC000473795014 888611689 /nfs/dbraw/zinc/61/16/89/888611689.db2.gz OVZJPXLSDJXIBT-UHFFFAOYSA-N 0 0 416.850 4.114 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000473842436 888685151 /nfs/dbraw/zinc/68/51/51/888685151.db2.gz JQYGGLVKCRJARN-UHFFFAOYSA-N 0 0 410.396 4.480 20 5 HIBDRN O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000473844036 888687816 /nfs/dbraw/zinc/68/78/16/888687816.db2.gz AHKATAZNHSBXMV-IBGZPJMESA-N 0 0 407.430 4.034 20 5 HIBDRN O=C1[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCN1c1ccc(Cl)cc1Cl ZINC000473914511 888794055 /nfs/dbraw/zinc/79/40/55/888794055.db2.gz WVUFOMLQFAKUNY-LBPRGKRZSA-N 0 0 401.637 4.167 20 5 HIBDRN CC(=O)c1ccc(N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000473916697 888798554 /nfs/dbraw/zinc/79/85/54/888798554.db2.gz UQJRAAFOUIJPJW-HNNXBMFYSA-N 0 0 408.241 4.322 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H]2CCOc3c(C)cccc32)c([N+](=O)[O-])cc1OCC ZINC000473971845 888838674 /nfs/dbraw/zinc/83/86/74/888838674.db2.gz WYQAVYDEHLTOIH-OAHLLOKOSA-N 0 0 415.446 4.346 20 5 HIBDRN Cc1cc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1I ZINC000474082821 888909717 /nfs/dbraw/zinc/90/97/17/888909717.db2.gz VBRSWRYBHBSAAH-UHFFFAOYSA-N 0 0 410.211 4.377 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3OC)cc2)cc1 ZINC000474089109 888916928 /nfs/dbraw/zinc/91/69/28/888916928.db2.gz QQZLIAPONDGACJ-UHFFFAOYSA-N 0 0 421.409 4.117 20 5 HIBDRN Cn1cc(CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccc(F)cc21 ZINC000474089616 888917110 /nfs/dbraw/zinc/91/71/10/888917110.db2.gz PDZTYNSIMXVIBW-UHFFFAOYSA-N 0 0 410.449 4.142 20 5 HIBDRN Cn1c(COc2ccccc2Cl)nnc1SCc1c(F)cccc1[N+](=O)[O-] ZINC000504508931 913298536 /nfs/dbraw/zinc/29/85/36/913298536.db2.gz ZEAXLDQZDGKJGB-UHFFFAOYSA-N 0 0 408.842 4.387 20 5 HIBDRN CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000474166567 889006641 /nfs/dbraw/zinc/00/66/41/889006641.db2.gz BKOHLGRMEHGZON-UHFFFAOYSA-N 0 0 403.523 4.219 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000474266609 889127916 /nfs/dbraw/zinc/12/79/16/889127916.db2.gz NAUBLYOHOHVVTD-UHFFFAOYSA-N 0 0 421.375 4.008 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000474308952 889175265 /nfs/dbraw/zinc/17/52/65/889175265.db2.gz UNFJYVHYHQMQRQ-QGZVFWFLSA-N 0 0 415.471 4.214 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC=C(c2c(F)cccc2F)CC1 ZINC000474415558 889280988 /nfs/dbraw/zinc/28/09/88/889280988.db2.gz QINXDDRALVCABG-UHFFFAOYSA-N 0 0 401.413 4.381 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1coc2cc(F)ccc12)c1ccccc1[N+](=O)[O-] ZINC000474432802 889298332 /nfs/dbraw/zinc/29/83/32/889298332.db2.gz NTNLUUDCFBNZDJ-KRWDZBQOSA-N 0 0 414.389 4.293 20 5 HIBDRN CCc1cnc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000474470867 889334230 /nfs/dbraw/zinc/33/42/30/889334230.db2.gz KEXOKTOFMLATAA-GASCZTMLSA-N 0 0 416.547 4.368 20 5 HIBDRN CC[C@H](NC(=O)N[C@H](CO)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000474501320 889363142 /nfs/dbraw/zinc/36/31/42/889363142.db2.gz OCFAYOSAINUDNR-JKSUJKDBSA-N 0 0 412.273 4.386 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000474508414 889373065 /nfs/dbraw/zinc/37/30/65/889373065.db2.gz CWYYOJNDRJCWKF-RYUDHWBXSA-N 0 0 407.268 4.182 20 5 HIBDRN COc1c(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)cccc1[N+](=O)[O-] ZINC000474594485 889463213 /nfs/dbraw/zinc/46/32/13/889463213.db2.gz NFRUUAPYQJFMKR-UHFFFAOYSA-N 0 0 421.457 4.149 20 5 HIBDRN O=C(NCc1ccn2ccnc2c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000474629961 889491079 /nfs/dbraw/zinc/49/10/79/889491079.db2.gz OTOYIRPHWJQISS-UHFFFAOYSA-N 0 0 403.398 4.357 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cnc1NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000474779931 889636899 /nfs/dbraw/zinc/63/68/99/889636899.db2.gz ZDCOMBZLZSHUSD-UHFFFAOYSA-N 0 0 414.263 4.039 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)ccc1OCC(C)C ZINC000474782370 889640167 /nfs/dbraw/zinc/64/01/67/889640167.db2.gz XSCRYOVNUBLPDN-AWEZNQCLSA-N 0 0 402.447 4.138 20 5 HIBDRN Cc1csc(NC2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)n1 ZINC000474802864 889655148 /nfs/dbraw/zinc/65/51/48/889655148.db2.gz ULTYGQMOVAPTIE-UHFFFAOYSA-N 0 0 414.409 4.095 20 5 HIBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474886248 889742916 /nfs/dbraw/zinc/74/29/16/889742916.db2.gz HGQDZPVDKNZANV-INIZCTEOSA-N 0 0 414.767 4.481 20 5 HIBDRN COc1c(C(=O)NCc2ccccc2COCc2ccccc2)cccc1[N+](=O)[O-] ZINC000474895186 889753605 /nfs/dbraw/zinc/75/36/05/889753605.db2.gz VUFMMSZLQLGEDA-UHFFFAOYSA-N 0 0 406.438 4.250 20 5 HIBDRN CCCOc1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000474907885 889768486 /nfs/dbraw/zinc/76/84/86/889768486.db2.gz CQOLVUNONOOKBL-UHFFFAOYSA-N 0 0 411.502 4.225 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc(Br)c(F)cc2C)cc1[N+](=O)[O-] ZINC000474941119 889797806 /nfs/dbraw/zinc/79/78/06/889797806.db2.gz AOFWJVBOKFYIBL-UHFFFAOYSA-N 0 0 412.215 4.135 20 5 HIBDRN CC(C)CN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000475057550 889901925 /nfs/dbraw/zinc/90/19/25/889901925.db2.gz BEZZVZJGZKOHHX-UHFFFAOYSA-N 0 0 421.906 4.128 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cnc2ccccc2n1 ZINC000475066450 889911422 /nfs/dbraw/zinc/91/14/22/889911422.db2.gz LBWUOGCMTIEEST-UHFFFAOYSA-N 0 0 408.361 4.288 20 5 HIBDRN COc1ccc(Sc2nsc(NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000475072618 889917908 /nfs/dbraw/zinc/91/79/08/889917908.db2.gz YLBQSUGDBQFFTA-UHFFFAOYSA-N 0 0 402.457 4.167 20 5 HIBDRN CCC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)OC ZINC000475091494 889939396 /nfs/dbraw/zinc/93/93/96/889939396.db2.gz BWWXWODTXHQTHO-OAHLLOKOSA-N 0 0 411.252 4.049 20 5 HIBDRN CCC1(CC)CCC(NC(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])CC1 ZINC000475099555 889947227 /nfs/dbraw/zinc/94/72/27/889947227.db2.gz YGLFRVAWADWURJ-UHFFFAOYSA-N 0 0 408.495 4.107 20 5 HIBDRN COc1cc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1Br ZINC000475163489 890029138 /nfs/dbraw/zinc/02/91/38/890029138.db2.gz PMPQXMQERIFIPG-UHFFFAOYSA-N 0 0 405.208 4.028 20 5 HIBDRN C[C@H](O)C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccccc1 ZINC000475189452 890059201 /nfs/dbraw/zinc/05/92/01/890059201.db2.gz INMWTWNTDDGTFF-JSGCOSHPSA-N 0 0 411.380 4.290 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000475198729 890068554 /nfs/dbraw/zinc/06/85/54/890068554.db2.gz YDUJPPKDKIZLRZ-SNVBAGLBSA-N 0 0 422.363 4.381 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCN(Cc2cccs2)CC1 ZINC000475204172 890075224 /nfs/dbraw/zinc/07/52/24/890075224.db2.gz GIKAXGZRIKYANH-UHFFFAOYSA-N 0 0 414.409 4.025 20 5 HIBDRN COC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000475239282 890113382 /nfs/dbraw/zinc/11/33/82/890113382.db2.gz WQNDMRSDRCUOJX-AWEZNQCLSA-N 0 0 401.316 4.262 20 5 HIBDRN O=C(Cc1cnc2ccccc2c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000475261550 890154562 /nfs/dbraw/zinc/15/45/62/890154562.db2.gz YELLPSXCLWQRAR-UHFFFAOYSA-N 0 0 403.360 4.277 20 5 HIBDRN C[C@@H]1[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCN1c1ccccc1 ZINC000475262222 890154897 /nfs/dbraw/zinc/15/48/97/890154897.db2.gz ZGMPYSICTWFIQS-CRAIPNDOSA-N 0 0 421.419 4.401 20 5 HIBDRN COc1cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000475270344 890167068 /nfs/dbraw/zinc/16/70/68/890167068.db2.gz RXRXFZNFWHMKPH-MWTRTKDXSA-N 0 0 412.486 4.182 20 5 HIBDRN COc1cc(CCNC(=O)C(C)(C)c2cccc(Cl)c2F)c([N+](=O)[O-])cc1OC ZINC000475289307 890190673 /nfs/dbraw/zinc/19/06/73/890190673.db2.gz BJQAUWISPWVJSS-UHFFFAOYSA-N 0 0 424.856 4.041 20 5 HIBDRN O=[N+]([O-])c1cc(CNCc2ncnn2-c2ccccc2)ccc1Oc1ccc(F)cc1 ZINC000475292171 890198130 /nfs/dbraw/zinc/19/81/30/890198130.db2.gz RKZHZPYFTXZGSQ-UHFFFAOYSA-N 0 0 419.416 4.397 20 5 HIBDRN Cc1nc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)ccc1[N+](=O)[O-] ZINC000475300073 890208822 /nfs/dbraw/zinc/20/88/22/890208822.db2.gz GCZHRUJDDQXURE-UHFFFAOYSA-N 0 0 420.212 4.440 20 5 HIBDRN Cc1nc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)ccc1[N+](=O)[O-] ZINC000475301332 890209745 /nfs/dbraw/zinc/20/97/45/890209745.db2.gz WIRXIJLJAHKASR-UHFFFAOYSA-N 0 0 419.466 4.491 20 5 HIBDRN CC(C)n1ncc2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc21 ZINC000504693117 913430105 /nfs/dbraw/zinc/43/01/05/913430105.db2.gz ZANQQLNOCJXXMG-UHFFFAOYSA-N 0 0 407.474 4.381 20 5 HIBDRN COC(=O)[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000475374715 890304713 /nfs/dbraw/zinc/30/47/13/890304713.db2.gz QSYXIEFVBDYXSI-KBXCAEBGSA-N 0 0 402.422 4.157 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](CC)CSc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000504708836 913441088 /nfs/dbraw/zinc/44/10/88/913441088.db2.gz UGFYCOFYNPEZBP-AWEZNQCLSA-N 0 0 404.488 4.303 20 5 HIBDRN CCOc1cc(C(=O)N[C@H](CC)CSc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000504708838 913441303 /nfs/dbraw/zinc/44/13/03/913441303.db2.gz UGFYCOFYNPEZBP-CQSZACIVSA-N 0 0 404.488 4.303 20 5 HIBDRN O=[N+]([O-])c1ccc2sc(/C=C\c3ncc(I)s3)nc2c1 ZINC000504710460 913443275 /nfs/dbraw/zinc/44/32/75/913443275.db2.gz BSLWLPAJXQIMRC-ARJAWSKDSA-N 0 0 415.237 4.436 20 5 HIBDRN Cn1cc(C(=O)Nc2cc(-c3ccccc3)ns2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475478309 890385632 /nfs/dbraw/zinc/38/56/32/890385632.db2.gz IXUYUUHDUCNKGX-UHFFFAOYSA-N 0 0 405.439 4.371 20 5 HIBDRN CCOc1cc(N2CCN(Cc3cc(F)cc4cccnc43)CC2)ccc1[N+](=O)[O-] ZINC000475483753 890390894 /nfs/dbraw/zinc/39/08/94/890390894.db2.gz AQGIQWDVMMBDHV-UHFFFAOYSA-N 0 0 410.449 4.003 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000475544648 890468357 /nfs/dbraw/zinc/46/83/57/890468357.db2.gz BFVFRQXYDXMRFC-HNNXBMFYSA-N 0 0 416.865 4.182 20 5 HIBDRN CC[C@@H]1NC(=O)N(c2cccc(NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2)C1=O ZINC000475547753 890472742 /nfs/dbraw/zinc/47/27/42/890472742.db2.gz ICHFUFJOBSJYSE-IBGZPJMESA-N 0 0 420.425 4.302 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000475548115 890473255 /nfs/dbraw/zinc/47/32/55/890473255.db2.gz AQCXQMFPJRZAGW-AWEZNQCLSA-N 0 0 420.416 4.213 20 5 HIBDRN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccccc2)cn1 ZINC000475560325 890488903 /nfs/dbraw/zinc/48/89/03/890488903.db2.gz UEXCSAXDPYFFDH-HNNXBMFYSA-N 0 0 419.441 4.071 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000475566960 890497881 /nfs/dbraw/zinc/49/78/81/890497881.db2.gz PWYZDCUGVFVRKI-SFHVURJKSA-N 0 0 421.400 4.418 20 5 HIBDRN Cc1ccc(C(=O)NC2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)s1 ZINC000475573890 890504643 /nfs/dbraw/zinc/50/46/43/890504643.db2.gz UKJKDHRAOVBBEK-UHFFFAOYSA-N 0 0 416.503 4.008 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000475579661 890510000 /nfs/dbraw/zinc/51/00/00/890510000.db2.gz BWTDJWJPVGRXLM-QGZVFWFLSA-N 0 0 410.434 4.175 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000475583967 890513631 /nfs/dbraw/zinc/51/36/31/890513631.db2.gz XLHNGORXPPKRLY-HNNXBMFYSA-N 0 0 418.444 4.401 20 5 HIBDRN COc1ccc(CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@H](CO)C(C)C)cc1 ZINC000475638907 890580591 /nfs/dbraw/zinc/58/05/91/890580591.db2.gz OILSRXGNOKMSDJ-OAQYLSRUSA-N 0 0 415.490 4.271 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000475638888 890581353 /nfs/dbraw/zinc/58/13/53/890581353.db2.gz OFKQEXJZRRYTNY-OAHLLOKOSA-N 0 0 422.279 4.219 20 5 HIBDRN CCS[C@H]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000475657235 890602910 /nfs/dbraw/zinc/60/29/10/890602910.db2.gz SVCKXPUCMRYNRJ-JSGCOSHPSA-N 0 0 401.326 4.032 20 5 HIBDRN COc1cccc(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000475733987 890674905 /nfs/dbraw/zinc/67/49/05/890674905.db2.gz MDQSRWKSHPCEQF-UHFFFAOYSA-N 0 0 423.391 4.339 20 5 HIBDRN O=[N+]([O-])c1cccc2ccc(/C=C/c3ncc(I)s3)nc21 ZINC000504739659 913476943 /nfs/dbraw/zinc/47/69/43/913476943.db2.gz DEKRSIDHCKVORD-VOTSOKGWSA-N 0 0 409.208 4.375 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1(c2ccccc2Br)CC1 ZINC000475835885 890769243 /nfs/dbraw/zinc/76/92/43/890769243.db2.gz RNNYWWKITIBQNQ-UHFFFAOYSA-N 0 0 409.667 4.359 20 5 HIBDRN O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000475854334 890788653 /nfs/dbraw/zinc/78/86/53/890788653.db2.gz VCDONDCXCREIPQ-UHFFFAOYSA-N 0 0 408.748 4.288 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000475859095 890794922 /nfs/dbraw/zinc/79/49/22/890794922.db2.gz XUTAKKFGMQEENG-SFHVURJKSA-N 0 0 415.808 4.149 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000475875571 890811128 /nfs/dbraw/zinc/81/11/28/890811128.db2.gz IXCKXANKSINJQZ-UHFFFAOYSA-N 0 0 422.403 4.474 20 5 HIBDRN Cc1nc([C@H]2CCCN2C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cs1 ZINC000475880701 890815532 /nfs/dbraw/zinc/81/55/32/890815532.db2.gz LIXMSQKELZFNEI-MRXNPFEDSA-N 0 0 400.485 4.461 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000475888719 890821924 /nfs/dbraw/zinc/82/19/24/890821924.db2.gz NOKNFYXYPHXXFN-MGPQQGTHSA-N 0 0 419.503 4.146 20 5 HIBDRN Cn1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)s2)n1 ZINC000475932927 890857893 /nfs/dbraw/zinc/85/78/93/890857893.db2.gz PTDZMTCAHHYBLG-UHFFFAOYSA-N 0 0 418.906 4.463 20 5 HIBDRN CCOC(=O)[C@@H](CC)S[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000475991174 890910271 /nfs/dbraw/zinc/91/02/71/890910271.db2.gz PSUMLTAQPSEYPL-IAQYHMDHSA-N 0 0 423.516 4.120 20 5 HIBDRN CCOC(=O)[C@H](CC)S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000476000329 890926837 /nfs/dbraw/zinc/92/68/37/890926837.db2.gz TZYLQIYBVYMOGJ-ZANVPECISA-N 0 0 408.398 4.016 20 5 HIBDRN COc1ccc(OCCOc2ccc(Cl)cc2-c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000476043191 890974671 /nfs/dbraw/zinc/97/46/71/890974671.db2.gz RPYPKWBGVITUIC-UHFFFAOYSA-N 0 0 405.794 4.073 20 5 HIBDRN COc1c(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000476068425 890998135 /nfs/dbraw/zinc/99/81/35/890998135.db2.gz VTJZGAAUDYUOPF-LJAQVGFWSA-N 0 0 410.451 4.164 20 5 HIBDRN COc1cccc(C2=CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000476153078 891077923 /nfs/dbraw/zinc/07/79/23/891077923.db2.gz MWDYYOJEOMOZJX-CQSZACIVSA-N 0 0 416.861 4.340 20 5 HIBDRN COc1cccc(Cl)c1-c1noc(C)c1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000476162184 891088684 /nfs/dbraw/zinc/08/86/84/891088684.db2.gz TWGBWVLSCRHETM-UHFFFAOYSA-N 0 0 415.833 4.193 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000504802825 913526164 /nfs/dbraw/zinc/52/61/64/913526164.db2.gz VOKWWCQGEKLJAA-OAHLLOKOSA-N 0 0 406.236 4.311 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000476236407 891160955 /nfs/dbraw/zinc/16/09/55/891160955.db2.gz VZASLCSBTVVOEK-MRXNPFEDSA-N 0 0 404.264 4.284 20 5 HIBDRN Cc1ccc(I)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000476305510 891216328 /nfs/dbraw/zinc/21/63/28/891216328.db2.gz OSALGPKWEDXMTR-UHFFFAOYSA-N 0 0 410.211 4.079 20 5 HIBDRN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000476350982 891255113 /nfs/dbraw/zinc/25/51/13/891255113.db2.gz OWPSDHITCKRSKT-FPOVZHCZSA-N 0 0 406.463 4.134 20 5 HIBDRN COc1c(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000476385067 891299433 /nfs/dbraw/zinc/29/94/33/891299433.db2.gz GLZWKRXFESNDGY-UHFFFAOYSA-N 0 0 403.438 4.470 20 5 HIBDRN COCCn1c(=O)c2ccc(Cl)cc2nc1SCc1ccc([N+](=O)[O-])cc1F ZINC000476491124 891399633 /nfs/dbraw/zinc/39/96/33/891399633.db2.gz FMGSHGIKRHPQMC-UHFFFAOYSA-N 0 0 423.853 4.036 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000476580637 891504821 /nfs/dbraw/zinc/50/48/21/891504821.db2.gz XVABEMGEZOTXEA-UHFFFAOYSA-N 0 0 408.907 4.000 20 5 HIBDRN CCCN([C@H]1CCCc2cccnc21)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000476617084 891552637 /nfs/dbraw/zinc/55/26/37/891552637.db2.gz KIDJOUBWOCXPGY-KRWDZBQOSA-N 0 0 403.504 4.085 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H](C)CNc2ccccc2)c([N+](=O)[O-])cc1OCC ZINC000476624890 891559635 /nfs/dbraw/zinc/55/96/35/891559635.db2.gz BLBKETGJNUEOED-CQSZACIVSA-N 0 0 402.451 4.014 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2cccnc2)cc1 ZINC000476652457 891594960 /nfs/dbraw/zinc/59/49/60/891594960.db2.gz DLQVWPRBZIYUHO-CYBMUJFWSA-N 0 0 424.844 4.126 20 5 HIBDRN C[C@@H](O)C[C@@H]1CCCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000504855633 913584130 /nfs/dbraw/zinc/58/41/30/913584130.db2.gz CJEFMGHCMHITND-PBHICJAKSA-N 0 0 417.893 4.236 20 5 HIBDRN Cc1nc(C(=O)Nc2cccc([N+](=O)[O-])c2C)nn1-c1c(Cl)cccc1Cl ZINC000476702932 891661258 /nfs/dbraw/zinc/66/12/58/891661258.db2.gz SRFQWXKTIVBSCS-UHFFFAOYSA-N 0 0 406.229 4.351 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H](C)[C@@H]3CCCOC3)cc2[N+](=O)[O-])n1 ZINC000504851526 913576591 /nfs/dbraw/zinc/57/65/91/913576591.db2.gz HVYUUINRJPKBQD-GXTWGEPZSA-N 0 0 407.517 4.056 20 5 HIBDRN COc1c(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cccc1[N+](=O)[O-] ZINC000476899440 891856298 /nfs/dbraw/zinc/85/62/98/891856298.db2.gz QNGRTIAKSDWPQB-IBGZPJMESA-N 0 0 406.442 4.361 20 5 HIBDRN C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000476981080 891908732 /nfs/dbraw/zinc/90/87/32/891908732.db2.gz KJXQBFLCYCXUIZ-INIZCTEOSA-N 0 0 421.457 4.254 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000476997836 891923926 /nfs/dbraw/zinc/92/39/26/891923926.db2.gz RXFWBPCXPNPKLG-ACJLOTCBSA-N 0 0 423.391 4.014 20 5 HIBDRN COc1ccc(-n2c(C)nnc2SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000477046609 891975262 /nfs/dbraw/zinc/97/52/62/891975262.db2.gz GIJSPFRMQNGPND-UHFFFAOYSA-N 0 0 423.454 4.440 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1(c2ccc(Br)cc2)CCC1 ZINC000477063987 891996907 /nfs/dbraw/zinc/99/69/07/891996907.db2.gz UNJQVMZICFTVTO-UHFFFAOYSA-N 0 0 407.239 4.235 20 5 HIBDRN CN(C)S(=O)(=O)c1ccc(N2Cc3ccccc3-c3ccccc3C2)c([N+](=O)[O-])c1 ZINC000477190188 892112008 /nfs/dbraw/zinc/11/20/08/892112008.db2.gz SECHIRVMPXXZRE-UHFFFAOYSA-N 0 0 423.494 4.032 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000477279863 892233694 /nfs/dbraw/zinc/23/36/94/892233694.db2.gz JMGQUGGXBGZSEA-LBPRGKRZSA-N 0 0 403.866 4.471 20 5 HIBDRN CCOCCOc1ccc(Cl)cc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000477325534 892292818 /nfs/dbraw/zinc/29/28/18/892292818.db2.gz UQVVUNIIAAVYEQ-AWEZNQCLSA-N 0 0 421.881 4.411 20 5 HIBDRN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000477334884 892303892 /nfs/dbraw/zinc/30/38/92/892303892.db2.gz WOVLLVNFVJTHJC-GJZGRUSLSA-N 0 0 413.449 4.033 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000477342260 892310912 /nfs/dbraw/zinc/31/09/12/892310912.db2.gz NQDFLXLKIDMOQI-UHFFFAOYSA-N 0 0 409.829 4.432 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1nc(-c2ccccn2)cs1 ZINC000477361651 892325317 /nfs/dbraw/zinc/32/53/17/892325317.db2.gz LNFQIVWZWZDFFN-UHFFFAOYSA-N 0 0 402.863 4.048 20 5 HIBDRN Cc1nc2ccccc2n1C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000477381713 892341451 /nfs/dbraw/zinc/34/14/51/892341451.db2.gz MERDVUPOUQPHEH-UHFFFAOYSA-N 0 0 421.501 4.309 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N(CCO)CC(F)F ZINC000477403286 892357609 /nfs/dbraw/zinc/35/76/09/892357609.db2.gz JCXWCFSPKLPNDM-UHFFFAOYSA-N 0 0 416.833 4.099 20 5 HIBDRN Cc1ccccc1Nc1nc(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)cs1 ZINC000477413002 892366238 /nfs/dbraw/zinc/36/62/38/892366238.db2.gz IKJXYEBGLTWOKT-UHFFFAOYSA-N 0 0 421.276 4.076 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000477421913 892375215 /nfs/dbraw/zinc/37/52/15/892375215.db2.gz COANMDUMJYONLT-GOSISDBHSA-N 0 0 404.463 4.280 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 ZINC000477424896 892378594 /nfs/dbraw/zinc/37/85/94/892378594.db2.gz SMYMYZYQOYPMEZ-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000477433432 892384096 /nfs/dbraw/zinc/38/40/96/892384096.db2.gz NCSOPGCYFQMXNE-GFCCVEGCSA-N 0 0 412.248 4.358 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N(CCO)CC(F)F ZINC000477444589 892394863 /nfs/dbraw/zinc/39/48/63/892394863.db2.gz DXMXJXLFJNPADD-UHFFFAOYSA-N 0 0 416.833 4.099 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000477473815 892453840 /nfs/dbraw/zinc/45/38/40/892453840.db2.gz UDAVKMZLIVPVKI-ZDUSSCGKSA-N 0 0 406.845 4.405 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000477477598 892459950 /nfs/dbraw/zinc/45/99/50/892459950.db2.gz ILVYRFIBYYJBPA-KRWDZBQOSA-N 0 0 404.463 4.170 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000504937940 913677658 /nfs/dbraw/zinc/67/76/58/913677658.db2.gz XXMLKVMGXMROPN-UHFFFAOYSA-N 0 0 414.433 4.006 20 5 HIBDRN 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COc1ccc2cc(CNC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)ccc2c1 ZINC000477684310 892809375 /nfs/dbraw/zinc/80/93/75/892809375.db2.gz YDPSJOCSCCRFRR-UHFFFAOYSA-N 0 0 405.454 4.287 20 5 HIBDRN Cn1cc(-c2cc(F)ccc2NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000477689558 892812013 /nfs/dbraw/zinc/81/20/13/892812013.db2.gz NUXGFRMJRIZZSR-UHFFFAOYSA-N 0 0 418.812 4.195 20 5 HIBDRN CCOC(=O)c1sc2ncnc(Oc3ccc([N+](=O)[O-])c(OCC)c3)c2c1C ZINC000477715850 892823608 /nfs/dbraw/zinc/82/36/08/892823608.db2.gz JWBIWKMZBLUMRL-UHFFFAOYSA-N 0 0 403.416 4.276 20 5 HIBDRN CCOc1cc(N2CCC(c3noc(-c4ccccc4OC)n3)CC2)ccc1[N+](=O)[O-] ZINC000477810938 892882130 /nfs/dbraw/zinc/88/21/30/892882130.db2.gz QVBOIPXUSULRFK-UHFFFAOYSA-N 0 0 424.457 4.436 20 5 HIBDRN COc1cc(C(=O)Nc2c(-c3ccccc3)nc3ccccn32)cc([N+](=O)[O-])c1C ZINC000477823864 892889158 /nfs/dbraw/zinc/88/91/58/892889158.db2.gz BLUZJYIGSRPZMM-UHFFFAOYSA-N 0 0 402.410 4.479 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)n2)cc1F ZINC000477830204 892893669 /nfs/dbraw/zinc/89/36/69/892893669.db2.gz WOMDNCHXWKBNSG-UHFFFAOYSA-N 0 0 417.418 4.435 20 5 HIBDRN CO[C@]1(C)CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000477837580 892898085 /nfs/dbraw/zinc/89/80/85/892898085.db2.gz LELAQTVJSBHEEI-PNLZDCPESA-N 0 0 403.523 4.108 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)c([N+](=O)[O-])cc1OC ZINC000477939752 893031085 /nfs/dbraw/zinc/03/10/85/893031085.db2.gz MZXNATBBBXCPMY-HNNXBMFYSA-N 0 0 422.384 4.021 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)n2)c1 ZINC000505002193 913746410 /nfs/dbraw/zinc/74/64/10/913746410.db2.gz DRKCJRURRGVQTK-UHFFFAOYSA-N 0 0 422.422 4.113 20 5 HIBDRN CCCCCn1nc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccccc2c1=O ZINC000505009188 913752496 /nfs/dbraw/zinc/75/24/96/913752496.db2.gz PJOCRPUQIDZRBS-UHFFFAOYSA-N 0 0 405.414 4.212 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(Br)ccc1N1CCCC1 ZINC000478213751 893374081 /nfs/dbraw/zinc/37/40/81/893374081.db2.gz 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CN(CCc1cccc2ccccc21)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505060175 913800149 /nfs/dbraw/zinc/80/01/49/913800149.db2.gz DBBPHQJZVAWJPU-UHFFFAOYSA-N 0 0 400.438 4.248 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000478456642 893777376 /nfs/dbraw/zinc/77/73/76/893777376.db2.gz YLLWKGFMOMGANQ-SUMWQHHRSA-N 0 0 411.285 4.320 20 5 HIBDRN COc1cc(C(=O)N2CCC(C)(c3cccc(Cl)c3)CC2)cc([N+](=O)[O-])c1OC ZINC000478463569 893785582 /nfs/dbraw/zinc/78/55/82/893785582.db2.gz VUJBYWMWGVJFEZ-UHFFFAOYSA-N 0 0 418.877 4.459 20 5 HIBDRN O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000478490307 893810080 /nfs/dbraw/zinc/81/00/80/893810080.db2.gz NBFKOWZGNMOVQQ-AWEZNQCLSA-N 0 0 423.174 4.384 20 5 HIBDRN CSc1ccc(C(=O)NCCc2cccc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000478528088 893832077 /nfs/dbraw/zinc/83/20/77/893832077.db2.gz LNZSVZGORPHDDQ-UHFFFAOYSA-N 0 0 414.405 4.230 20 5 HIBDRN CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000505092414 913813210 /nfs/dbraw/zinc/81/32/10/913813210.db2.gz INUHJHYXUIFLTK-RYUDHWBXSA-N 0 0 416.259 4.144 20 5 HIBDRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000478609944 893873585 /nfs/dbraw/zinc/87/35/85/893873585.db2.gz LTFPFIADRBAJCY-UHFFFAOYSA-N 0 0 420.421 4.142 20 5 HIBDRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000478635153 893887556 /nfs/dbraw/zinc/88/75/56/893887556.db2.gz WQSKKEZVBWKSDY-UHFFFAOYSA-N 0 0 412.423 4.274 20 5 HIBDRN CCCCn1ccnc1-c1cccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000478635644 893888257 /nfs/dbraw/zinc/88/82/57/893888257.db2.gz PWKLLTMLTJFDFD-UHFFFAOYSA-N 0 0 410.478 4.101 20 5 HIBDRN COc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc([N+](=O)[O-])c1C ZINC000478635693 893888483 /nfs/dbraw/zinc/88/84/83/893888483.db2.gz WGELNFDILZOULW-UHFFFAOYSA-N 0 0 416.484 4.308 20 5 HIBDRN Cc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1NC(=O)N(C)C ZINC000478643866 893891894 /nfs/dbraw/zinc/89/18/94/893891894.db2.gz JYXSZVNAVZQGNT-UHFFFAOYSA-N 0 0 420.853 4.058 20 5 HIBDRN CN(C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccn(C)n1 ZINC000478652740 893896659 /nfs/dbraw/zinc/89/66/59/893896659.db2.gz QOBITOPVKKEFQL-UHFFFAOYSA-N 0 0 402.863 4.410 20 5 HIBDRN CCOc1cc(OCC(=O)NCc2ccccc2OC2CCCC2)ccc1[N+](=O)[O-] ZINC000478733919 894009269 /nfs/dbraw/zinc/00/92/69/894009269.db2.gz RVYNQWLDQRTOOY-UHFFFAOYSA-N 0 0 414.458 4.010 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000478768167 894043420 /nfs/dbraw/zinc/04/34/20/894043420.db2.gz GTVOALDCRUGPHA-UHFFFAOYSA-N 0 0 422.825 4.313 20 5 HIBDRN COc1cc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)ccc1[N+](=O)[O-] ZINC000478776659 894052155 /nfs/dbraw/zinc/05/21/55/894052155.db2.gz YKCBRRWFEGUMMU-UHFFFAOYSA-N 0 0 408.798 4.167 20 5 HIBDRN O=C(NCc1csc(-c2ccco2)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000478867385 894145562 /nfs/dbraw/zinc/14/55/62/894145562.db2.gz OQXBGRTXTVQWRA-UHFFFAOYSA-N 0 0 412.452 4.365 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000479021350 894285957 /nfs/dbraw/zinc/28/59/57/894285957.db2.gz OXJJQUAMPILXKV-UHFFFAOYSA-N 0 0 419.478 4.193 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(N2CCc3ccccc32)CC1 ZINC000505168197 913857433 /nfs/dbraw/zinc/85/74/33/913857433.db2.gz RZZHHEZZRSEHRN-UHFFFAOYSA-N 0 0 423.516 4.349 20 5 HIBDRN CC(C)N(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000479077206 894342043 /nfs/dbraw/zinc/34/20/43/894342043.db2.gz JTIDNEBGLVSCIX-UHFFFAOYSA-N 0 0 419.363 4.250 20 5 HIBDRN CCc1nn(C)c(CC)c1CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000479096756 894361657 /nfs/dbraw/zinc/36/16/57/894361657.db2.gz HRCJFVVDIFYJHK-UHFFFAOYSA-N 0 0 408.458 4.427 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(CCc2cccc(F)c2)C2CC2)cc1SC ZINC000505190927 913872144 /nfs/dbraw/zinc/87/21/44/913872144.db2.gz OBHGKFGGJKRORR-UHFFFAOYSA-N 0 0 404.463 4.312 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1[N+](=O)[O-] ZINC000505194763 913875609 /nfs/dbraw/zinc/87/56/09/913875609.db2.gz 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O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000479385557 894688265 /nfs/dbraw/zinc/68/82/65/894688265.db2.gz YNPJLALOHLGNHN-UHFFFAOYSA-N 0 0 422.485 4.115 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC000479444055 894761521 /nfs/dbraw/zinc/76/15/21/894761521.db2.gz ILDKBBFLWFFPND-PNCHPQGNSA-N 0 0 423.513 4.291 20 5 HIBDRN CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000479468505 894791764 /nfs/dbraw/zinc/79/17/64/894791764.db2.gz NIMXMENREUULIS-UHFFFAOYSA-N 0 0 411.867 4.096 20 5 HIBDRN CCC[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000479475097 894798052 /nfs/dbraw/zinc/79/80/52/894798052.db2.gz LAWRZPBXHQEDJS-IAGOWNOFSA-N 0 0 406.280 4.015 20 5 HIBDRN Cc1cc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc([N+](=O)[O-])c1 ZINC000505249171 913904259 /nfs/dbraw/zinc/90/42/59/913904259.db2.gz LSAJBSRMCYBIRR-UHFFFAOYSA-N 0 0 423.391 4.411 20 5 HIBDRN COc1cc(Br)cc(C)c1NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000479562196 894860090 /nfs/dbraw/zinc/86/00/90/894860090.db2.gz HVQHXLINYPMDHM-UHFFFAOYSA-N 0 0 408.252 4.304 20 5 HIBDRN Cc1c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cccc1OCC(F)(F)F ZINC000479621029 894889833 /nfs/dbraw/zinc/88/98/33/894889833.db2.gz SWLFYNZQWMPJDH-UHFFFAOYSA-N 0 0 420.347 4.282 20 5 HIBDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CCO1 ZINC000479648706 894919878 /nfs/dbraw/zinc/91/98/78/894919878.db2.gz QKPRDWQPNNFQQL-YJBOKZPZSA-N 0 0 410.536 4.047 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000479770378 895071779 /nfs/dbraw/zinc/07/17/79/895071779.db2.gz GYAHZLBBKDPIQI-AGRHKRQWSA-N 0 0 413.474 4.191 20 5 HIBDRN COc1ccc(-c2ccc(CNc3nnc(Cc4ccccc4)o3)o2)c([N+](=O)[O-])c1 ZINC000479771697 895072621 /nfs/dbraw/zinc/07/26/21/895072621.db2.gz OTPJWAJOGBRFON-UHFFFAOYSA-N 0 0 406.398 4.449 20 5 HIBDRN COc1cccc(Cc2nnc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)o2)c1 ZINC000479786547 895089121 /nfs/dbraw/zinc/08/91/21/895089121.db2.gz UVJQBNNDZQLYGJ-UHFFFAOYSA-N 0 0 406.398 4.449 20 5 HIBDRN COCC[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000479787835 895090647 /nfs/dbraw/zinc/09/06/47/895090647.db2.gz MUAYMSRPTPNMBN-QAPCUYQASA-N 0 0 415.490 4.240 20 5 HIBDRN COc1cc(OC2CC2)ccc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000479795675 895098319 /nfs/dbraw/zinc/09/83/19/895098319.db2.gz WRDKBPRMIBBKRG-FQEVSTJZSA-N 0 0 400.456 4.032 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)cc([N+](=O)[O-])c1C ZINC000479796906 895101156 /nfs/dbraw/zinc/10/11/56/895101156.db2.gz MIIBXOISJMGUBB-INIZCTEOSA-N 0 0 408.458 4.205 20 5 HIBDRN Cc1occc1C(=O)Nc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000479806237 895112504 /nfs/dbraw/zinc/11/25/04/895112504.db2.gz PYSFKJNAFUUEQR-UHFFFAOYSA-N 0 0 423.360 4.016 20 5 HIBDRN COC(=O)c1ccc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C(F)(F)F)cc1 ZINC000479822795 895138775 /nfs/dbraw/zinc/13/87/75/895138775.db2.gz LWEQFOBFLKEQHV-OAHLLOKOSA-N 0 0 411.336 4.115 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000479852299 895184767 /nfs/dbraw/zinc/18/47/67/895184767.db2.gz QVWOVRBQBFWRLR-UHFFFAOYSA-N 0 0 410.861 4.454 20 5 HIBDRN Cc1cc(Cl)ccc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000479910856 895259278 /nfs/dbraw/zinc/25/92/78/895259278.db2.gz JZABULCISMCXTH-KRWDZBQOSA-N 0 0 404.850 4.369 20 5 HIBDRN CCOc1cc(NC(=O)N2Cc3ccccc3C3(CC3)C2)c([N+](=O)[O-])cc1OCC ZINC000479937132 895285920 /nfs/dbraw/zinc/28/59/20/895285920.db2.gz DDXORTIUKNTPGS-UHFFFAOYSA-N 0 0 411.458 4.472 20 5 HIBDRN Cc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(Br)c1 ZINC000479976081 895329365 /nfs/dbraw/zinc/32/93/65/895329365.db2.gz FGMZBHWVMANZTA-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c1C ZINC000479994198 895347240 /nfs/dbraw/zinc/34/72/40/895347240.db2.gz XDKXOZIPQLYVRW-QGZVFWFLSA-N 0 0 415.471 4.269 20 5 HIBDRN COc1cccc(C2=CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000480013798 895365173 /nfs/dbraw/zinc/36/51/73/895365173.db2.gz BAMVQZLMFWCKKG-CQSZACIVSA-N 0 0 415.877 4.373 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000480023943 895372619 /nfs/dbraw/zinc/37/26/19/895372619.db2.gz TWBDPTXXSRCPPF-UHFFFAOYSA-N 0 0 420.473 4.326 20 5 HIBDRN Cn1cc(-c2ncc(/C=C/c3nc4cc([N+](=O)[O-])ccc4n3-c3ccccc3)cn2)cn1 ZINC000480023754 895373172 /nfs/dbraw/zinc/37/31/72/895373172.db2.gz RWBISYKQQAPDRW-JXMROGBWSA-N 0 0 423.436 4.295 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc([N+](=O)[O-])c1C ZINC000480034810 895382876 /nfs/dbraw/zinc/38/28/76/895382876.db2.gz AFFUEUXRADKEJH-UHFFFAOYSA-N 0 0 422.319 4.233 20 5 HIBDRN Cc1c(CNC(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000480053122 895400578 /nfs/dbraw/zinc/40/05/78/895400578.db2.gz CNZXSJUIXHBPJM-YJYMSZOUSA-N 0 0 403.866 4.228 20 5 HIBDRN Cc1c(CNC(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000480053121 895400728 /nfs/dbraw/zinc/40/07/28/895400728.db2.gz CNZXSJUIXHBPJM-ORAYPTAESA-N 0 0 403.866 4.228 20 5 HIBDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000480057858 895404949 /nfs/dbraw/zinc/40/49/49/895404949.db2.gz HPTXTOJAPUDYQJ-UHFFFAOYSA-N 0 0 424.501 4.405 20 5 HIBDRN COc1cc(Br)c(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000480065381 895413698 /nfs/dbraw/zinc/41/36/98/895413698.db2.gz XLYVSYKKJNHUHX-UHFFFAOYSA-N 0 0 424.251 4.005 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000480070012 895420373 /nfs/dbraw/zinc/42/03/73/895420373.db2.gz GVXVCRYKBRBTFU-UHFFFAOYSA-N 0 0 404.854 4.018 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000480071641 895422647 /nfs/dbraw/zinc/42/26/47/895422647.db2.gz KFJBCXIPWDHYPF-UHFFFAOYSA-N 0 0 418.881 4.360 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)cc([N+](=O)[O-])c1C ZINC000480080300 895436493 /nfs/dbraw/zinc/43/64/93/895436493.db2.gz AVUJHWLQQOUMOA-UHFFFAOYSA-N 0 0 421.409 4.055 20 5 HIBDRN COc1cc(-c2noc(CNc3cc(F)cc([N+](=O)[O-])c3)n2)ccc1OC(F)F ZINC000480137908 895516567 /nfs/dbraw/zinc/51/65/67/895516567.db2.gz MEYHVHKGPPTPAD-UHFFFAOYSA-N 0 0 410.308 4.006 20 5 HIBDRN CSc1ccc(C(=O)N[C@H](C)c2ccc(-n3cccn3)c(F)c2)cc1[N+](=O)[O-] ZINC000505313618 913975140 /nfs/dbraw/zinc/97/51/40/913975140.db2.gz VRDZNCQUHSIRBA-GFCCVEGCSA-N 0 0 400.435 4.133 20 5 HIBDRN CCOc1ccc(Br)cc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000480162974 895551517 /nfs/dbraw/zinc/55/15/17/895551517.db2.gz DKNAQGBSIYYFNJ-UHFFFAOYSA-N 0 0 409.236 4.325 20 5 HIBDRN COc1cc(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc([N+](=O)[O-])c1C ZINC000480170157 895559966 /nfs/dbraw/zinc/55/99/66/895559966.db2.gz QAXKDTPEFQPTDT-UHFFFAOYSA-N 0 0 412.471 4.342 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCCOc2c(F)cccc21 ZINC000480183729 895578009 /nfs/dbraw/zinc/57/80/09/895578009.db2.gz XHTJLMOARBRYOM-HXUWFJFHSA-N 0 0 416.452 4.324 20 5 HIBDRN O=C(N[C@@H]1CCCOc2c(F)cccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000480206712 895609102 /nfs/dbraw/zinc/60/91/02/895609102.db2.gz PSCYNVPNITWNDA-CQSZACIVSA-N 0 0 409.211 4.140 20 5 HIBDRN C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000480226506 895631441 /nfs/dbraw/zinc/63/14/41/895631441.db2.gz XKKLSPBHBKGEAG-JSGCOSHPSA-N 0 0 406.845 4.026 20 5 HIBDRN Cc1cc([C@@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CCO2)ccc1F ZINC000480295514 895701244 /nfs/dbraw/zinc/70/12/44/895701244.db2.gz WROVGRGWYOXGPA-NRFANRHFSA-N 0 0 415.465 4.148 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)c([N+](=O)[O-])c1 ZINC000480316360 895719640 /nfs/dbraw/zinc/71/96/40/895719640.db2.gz UFSCYCYDQFBBIS-JTQLQIEISA-N 0 0 411.227 4.322 20 5 HIBDRN COc1cccc(C(NCc2cc([N+](=O)[O-])ccc2OC)c2cccc(OC)c2)c1 ZINC000480337972 895742890 /nfs/dbraw/zinc/74/28/90/895742890.db2.gz AVJBKNMSQSLVBG-UHFFFAOYSA-N 0 0 408.454 4.500 20 5 HIBDRN O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000480365078 895772566 /nfs/dbraw/zinc/77/25/66/895772566.db2.gz QHFXXURBFQMTIR-UHFFFAOYSA-N 0 0 421.844 4.488 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000480379724 895786587 /nfs/dbraw/zinc/78/65/87/895786587.db2.gz QDKSDFUFGIUWTL-CQSZACIVSA-N 0 0 404.426 4.042 20 5 HIBDRN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000480409841 895810183 /nfs/dbraw/zinc/81/01/83/895810183.db2.gz WVENHKJRNULATN-CYBMUJFWSA-N 0 0 422.416 4.059 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000480422038 895818722 /nfs/dbraw/zinc/81/87/22/895818722.db2.gz SVDWMGJHYRKGJU-LBPRGKRZSA-N 0 0 416.384 4.334 20 5 HIBDRN Cc1ccc(CN2CC[C@@H](NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000480461747 895846247 /nfs/dbraw/zinc/84/62/47/895846247.db2.gz AJRXPYGULJEKRG-OAQYLSRUSA-N 0 0 405.454 4.054 20 5 HIBDRN CCS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)s1 ZINC000480513833 895879567 /nfs/dbraw/zinc/87/95/67/895879567.db2.gz SAQGVCGLSYIDFO-UHFFFAOYSA-N 0 0 403.485 4.124 20 5 HIBDRN CCCC[C@@H](Sc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C(=O)OC ZINC000480553224 895913686 /nfs/dbraw/zinc/91/36/86/895913686.db2.gz JNNNQFHUGXMMKE-SECBINFHSA-N 0 0 402.341 4.468 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000480626029 895993742 /nfs/dbraw/zinc/99/37/42/895993742.db2.gz VIMDAZGAHYRFQR-UHFFFAOYSA-N 0 0 422.510 4.217 20 5 HIBDRN CCOC(=O)c1ccn(-c2cccc(CNc3ccc([N+](=O)[O-])c4cnccc34)c2)n1 ZINC000480775713 896140277 /nfs/dbraw/zinc/14/02/77/896140277.db2.gz PWHBCYOIOCYXKQ-UHFFFAOYSA-N 0 0 417.425 4.118 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2cc(Br)ccc2C1 ZINC000480816813 896190168 /nfs/dbraw/zinc/19/01/68/896190168.db2.gz YROCMFGCPNZOKE-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)C)cc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000480920443 896279258 /nfs/dbraw/zinc/27/92/58/896279258.db2.gz IIEPFNFEJCTZTR-GOSISDBHSA-N 0 0 410.474 4.105 20 5 HIBDRN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1csc2ccccc21)c1cccnc1 ZINC000480933820 896284280 /nfs/dbraw/zinc/28/42/80/896284280.db2.gz AWUCJIIGUDHDFU-NRFANRHFSA-N 0 0 421.482 4.039 20 5 HIBDRN Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)s2)cs1 ZINC000481008546 896340528 /nfs/dbraw/zinc/34/05/28/896340528.db2.gz AJQGKONBLXVXHG-NSHDSACASA-N 0 0 423.541 4.436 20 5 HIBDRN C[C@H](NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000481021642 896351403 /nfs/dbraw/zinc/35/14/03/896351403.db2.gz VUJGTIGEKFQHDH-RWRYZHGASA-N 0 0 424.284 4.262 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCO[C@@H](C(C)(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000481074520 896393983 /nfs/dbraw/zinc/39/39/83/896393983.db2.gz CFAKYWCTDLFONK-WRWLIDTKSA-N 0 0 403.523 4.155 20 5 HIBDRN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505400615 914065667 /nfs/dbraw/zinc/06/56/67/914065667.db2.gz YFQYWRYOBYZUPZ-UHFFFAOYSA-N 0 0 412.405 4.264 20 5 HIBDRN COc1ccc(F)c(N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)c1 ZINC000481118739 896444902 /nfs/dbraw/zinc/44/49/02/896444902.db2.gz SNLXNFNBRSXCQP-UHFFFAOYSA-N 0 0 415.468 4.498 20 5 HIBDRN CNC(=O)c1cc(Oc2cc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])ccc2C)ccn1 ZINC000481192449 896543971 /nfs/dbraw/zinc/54/39/71/896543971.db2.gz PSNKGKOKUPXXMH-UHFFFAOYSA-N 0 0 420.425 4.011 20 5 HIBDRN O=C(N[C@@H]1CCCc2c(O)cccc21)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000481192792 896545604 /nfs/dbraw/zinc/54/56/04/896545604.db2.gz QWJKQLOZHIWHLX-LJQANCHMSA-N 0 0 402.425 4.333 20 5 HIBDRN CN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000481200892 896554145 /nfs/dbraw/zinc/55/41/45/896554145.db2.gz PHBJCABTRVRIRP-DLBZAZTESA-N 0 0 410.808 4.093 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000481227739 896578027 /nfs/dbraw/zinc/57/80/27/896578027.db2.gz LITJDLHVYAROTC-OAHLLOKOSA-N 0 0 413.499 4.198 20 5 HIBDRN O=[N+]([O-])c1ccn(CCSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)n1 ZINC000481226287 896578157 /nfs/dbraw/zinc/57/81/57/896578157.db2.gz BAIDXUZODVPKEI-UHFFFAOYSA-N 0 0 404.455 4.103 20 5 HIBDRN O=[N+]([O-])c1ccn(CCSc2ncnc3cc(-c4ccc(F)cc4)sc32)n1 ZINC000481226270 896578248 /nfs/dbraw/zinc/57/82/48/896578248.db2.gz AUGZQJCLBHPQEA-UHFFFAOYSA-N 0 0 401.448 4.394 20 5 HIBDRN Cc1c(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cccc1[N+](=O)[O-] ZINC000481227683 896578934 /nfs/dbraw/zinc/57/89/34/896578934.db2.gz FMVXOPRYPPQLGT-UHFFFAOYSA-N 0 0 401.426 4.143 20 5 HIBDRN CCn1c(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481339508 896705487 /nfs/dbraw/zinc/70/54/87/896705487.db2.gz MFEKRWUGLQKVDJ-CPUCHLNUSA-N 0 0 417.535 4.049 20 5 HIBDRN CCn1c(SCc2cc(F)cc3c2OCOC3)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481341957 896709567 /nfs/dbraw/zinc/70/95/67/896709567.db2.gz IGCLTUKMMBEJMV-UHFFFAOYSA-N 0 0 416.434 4.171 20 5 HIBDRN CCn1c(SCc2nc(CCC(C)C)no2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481342691 896710031 /nfs/dbraw/zinc/71/00/31/896710031.db2.gz QOJJBJCFEYPKEF-UHFFFAOYSA-N 0 0 402.480 4.137 20 5 HIBDRN CCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481348357 896720909 /nfs/dbraw/zinc/72/09/09/896720909.db2.gz PRHYVTJKMLAEAW-UHFFFAOYSA-N 0 0 414.472 4.277 20 5 HIBDRN CCn1c(S[C@H]2CCCN(c3ccccc3)C2=O)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481361828 896740719 /nfs/dbraw/zinc/74/07/19/896740719.db2.gz YSJQCHHUXRDCGW-SFHVURJKSA-N 0 0 423.498 4.161 20 5 HIBDRN CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000481450024 896846065 /nfs/dbraw/zinc/84/60/65/896846065.db2.gz YPHVJTLCLOVKJT-OAQYLSRUSA-N 0 0 411.483 4.098 20 5 HIBDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3cccc([N+](=O)[O-])c3C)c12 ZINC000481464097 896856343 /nfs/dbraw/zinc/85/63/43/896856343.db2.gz KKARGNUXDMMSPJ-UHFFFAOYSA-N 0 0 415.453 4.090 20 5 HIBDRN COc1cccc(C(=O)c2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3C)cc2)c1 ZINC000481467933 896858878 /nfs/dbraw/zinc/85/88/78/896858878.db2.gz UHYYLAAKNIZZAO-UHFFFAOYSA-N 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CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cn1 ZINC000481632235 897015605 /nfs/dbraw/zinc/01/56/05/897015605.db2.gz ZCTLQENPHWHVMW-UHFFFAOYSA-N 0 0 408.483 4.137 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000481712308 897102178 /nfs/dbraw/zinc/10/21/78/897102178.db2.gz ITEZRXBDDCGVEY-JCNLHEQBSA-N 0 0 404.463 4.038 20 5 HIBDRN COc1cc(OC[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000481715093 897106169 /nfs/dbraw/zinc/10/61/69/897106169.db2.gz WLOQCPIVSMVNKX-YADARESESA-N 0 0 423.465 4.458 20 5 HIBDRN COc1cccc(C(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c2cccc(OC)c2)c1 ZINC000481722555 897117872 /nfs/dbraw/zinc/11/78/72/897117872.db2.gz JSVLNGMVTZSKHZ-UHFFFAOYSA-N 0 0 422.437 4.140 20 5 HIBDRN NC(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 ZINC000481771147 897157109 /nfs/dbraw/zinc/15/71/09/897157109.db2.gz AGLSSEOFPADYQD-UHFFFAOYSA-N 0 0 407.451 4.026 20 5 HIBDRN CCOc1cc(N2CCN(Cc3ncc(Cl)cc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000481779789 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409.467 4.240 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000481950207 897339700 /nfs/dbraw/zinc/33/97/00/897339700.db2.gz BTLUPBZSQHMRSH-NSHDSACASA-N 0 0 418.471 4.300 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1SC ZINC000481993517 897390245 /nfs/dbraw/zinc/39/02/45/897390245.db2.gz RKZCGLDTDACFNO-UHFFFAOYSA-N 0 0 418.515 4.432 20 5 HIBDRN Cc1ccc(C)c(Sc2ccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)cc2)c1 ZINC000482013424 897412954 /nfs/dbraw/zinc/41/29/54/897412954.db2.gz GLXFQEKNNCXGDK-UHFFFAOYSA-N 0 0 409.467 4.163 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000482018190 897420634 /nfs/dbraw/zinc/42/06/34/897420634.db2.gz UOZDEKGAGHFGDU-UHFFFAOYSA-N 0 0 417.506 4.194 20 5 HIBDRN CCc1ccc([C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCO2)cc1 ZINC000482030213 897439937 /nfs/dbraw/zinc/43/99/37/897439937.db2.gz COQWKRRNDOUAML-SFHVURJKSA-N 0 0 419.275 4.133 20 5 HIBDRN O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000482042397 897461919 /nfs/dbraw/zinc/46/19/19/897461919.db2.gz VBNMZXVAVKCKBM-OAQYLSRUSA-N 0 0 414.421 4.186 20 5 HIBDRN CCc1ccc([C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CCO2)cc1 ZINC000482059942 897489933 /nfs/dbraw/zinc/48/99/33/897489933.db2.gz HIIFBUVGGNHZJA-FQEVSTJZSA-N 0 0 400.450 4.174 20 5 HIBDRN O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000505483982 914165024 /nfs/dbraw/zinc/16/50/24/914165024.db2.gz NYXQUZAFYVWHNR-HOCLYGCPSA-N 0 0 416.359 4.085 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000482064459 897498394 /nfs/dbraw/zinc/49/83/94/897498394.db2.gz WPRVISAYSNTYGX-YGRLFVJLSA-N 0 0 408.804 4.453 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cc3ccc(Br)cn3n2)cc1[N+](=O)[O-] ZINC000482115106 897566176 /nfs/dbraw/zinc/56/61/76/897566176.db2.gz SDRLOUHZGCIKAH-NSHDSACASA-N 0 0 418.251 4.196 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3ccccc3F)co2)c([N+](=O)[O-])cc1OC(F)F ZINC000482126539 897583877 /nfs/dbraw/zinc/58/38/77/897583877.db2.gz MGPFUCJOJDWCOI-UHFFFAOYSA-N 0 0 423.303 4.251 20 5 HIBDRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000505490718 914175589 /nfs/dbraw/zinc/17/55/89/914175589.db2.gz HCEKFMYDUSBTGN-UHFFFAOYSA-N 0 0 418.409 4.408 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H](C(F)(F)F)[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000482177324 897646161 /nfs/dbraw/zinc/64/61/61/897646161.db2.gz MLFQBVKPPZLUIH-SUMWQHHRSA-N 0 0 424.423 4.259 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000482212033 897692841 /nfs/dbraw/zinc/69/28/41/897692841.db2.gz PDOWKBFVUSNLRV-DGCLKSJQSA-N 0 0 406.426 4.026 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccn3)cs2)cc1SC ZINC000482224714 897702969 /nfs/dbraw/zinc/70/29/69/897702969.db2.gz XCVATHNGVMTTIA-UHFFFAOYSA-N 0 0 402.457 4.096 20 5 HIBDRN CCS[C@H]1CCC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000482227602 897707698 /nfs/dbraw/zinc/70/76/98/897707698.db2.gz GQFFTXLPLSNUHX-YPMHNXCESA-N 0 0 406.426 4.330 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)cc1OC ZINC000482228543 897708229 /nfs/dbraw/zinc/70/82/29/897708229.db2.gz UHOQOGGMTDTZNO-DGCLKSJQSA-N 0 0 404.385 4.101 20 5 HIBDRN CO[C@@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 ZINC000482232245 897711121 /nfs/dbraw/zinc/71/11/21/897711121.db2.gz QVMDWWKJJKGNTH-CYBMUJFWSA-N 0 0 415.496 4.217 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1SC ZINC000482358657 897875171 /nfs/dbraw/zinc/87/51/71/897875171.db2.gz QTMOAWAIRHWLAV-UHFFFAOYSA-N 0 0 412.414 4.199 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000482395382 897930405 /nfs/dbraw/zinc/93/04/05/897930405.db2.gz KUZGRRHRHOVQRQ-HNNXBMFYSA-N 0 0 403.307 4.018 20 5 HIBDRN O=C(CSc1nccc2ccccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000482423307 897975849 /nfs/dbraw/zinc/97/58/49/897975849.db2.gz NVZLLGHCKWHDQY-UHFFFAOYSA-N 0 0 423.494 4.305 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1SC ZINC000482545189 898134698 /nfs/dbraw/zinc/13/46/98/898134698.db2.gz VHOUEVBEJQDDJD-OAHLLOKOSA-N 0 0 418.471 4.135 20 5 HIBDRN C[C@H](C(=O)OC(C)(C)C)c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000482557212 898149377 /nfs/dbraw/zinc/14/93/77/898149377.db2.gz JMKIIOGLFAJZBF-JTQLQIEISA-N 0 0 402.432 4.214 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C(F)(F)F)cc1SC ZINC000482560251 898152654 /nfs/dbraw/zinc/15/26/54/898152654.db2.gz IDUBOGWHGMAHEW-UHFFFAOYSA-N 0 0 400.378 4.274 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000482563415 898155867 /nfs/dbraw/zinc/15/58/67/898155867.db2.gz PKNMEKSEWRKFHY-CYBMUJFWSA-N 0 0 416.474 4.409 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1SC ZINC000482576575 898174095 /nfs/dbraw/zinc/17/40/95/898174095.db2.gz DPQMBYYQRSCQGH-UHFFFAOYSA-N 0 0 402.350 4.476 20 5 HIBDRN 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/nfs/dbraw/zinc/34/66/81/900346681.db2.gz AUHRUDZMLUFESU-UHFFFAOYSA-N 0 0 406.364 4.077 20 5 HIBDRN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])n2C)nc1-c1ccc(OC(F)F)cc1 ZINC000485016022 900364246 /nfs/dbraw/zinc/36/42/46/900364246.db2.gz VPNZVDXRPGQKBB-UHFFFAOYSA-N 0 0 408.386 4.219 20 5 HIBDRN CC(C)(C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1)n1cc([N+](=O)[O-])cn1 ZINC000485085967 900399728 /nfs/dbraw/zinc/39/97/28/900399728.db2.gz CJZHMYPNSZFNOW-UHFFFAOYSA-N 0 0 411.289 4.239 20 5 HIBDRN CCc1[nH]n(C)c2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c1-2 ZINC000485089541 900402876 /nfs/dbraw/zinc/40/28/76/900402876.db2.gz BRLBDNTZEHVQGI-UHFFFAOYSA-N 0 0 422.470 4.171 20 5 HIBDRN O=[N+]([O-])c1c(Nc2cccc(C[S@](=O)C3CCOCC3)c2)ccc2ncccc21 ZINC000485127910 900431500 /nfs/dbraw/zinc/43/15/00/900431500.db2.gz WLANZOOXFPYZFN-LJAQVGFWSA-N 0 0 411.483 4.314 20 5 HIBDRN Cn1ccnc1[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 ZINC000485192232 900486557 /nfs/dbraw/zinc/48/65/57/900486557.db2.gz KAMLHDXTRSRQJN-CQSZACIVSA-N 0 0 422.670 4.341 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(CC(F)(F)F)C3CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000485212891 900501065 /nfs/dbraw/zinc/50/10/65/900501065.db2.gz VOCACLBNORZBMK-UHFFFAOYSA-N 0 0 424.423 4.404 20 5 HIBDRN Cc1cccn2cc(-c3ccc(NC(=O)COc4cccc([N+](=O)[O-])c4)cc3)nc12 ZINC000485227933 900513007 /nfs/dbraw/zinc/51/30/07/900513007.db2.gz DATXPFFVORYODQ-UHFFFAOYSA-N 0 0 402.410 4.235 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485226706 900513618 /nfs/dbraw/zinc/51/36/18/900513618.db2.gz YPXBKDROSNRYRJ-KNQAVFIVSA-N 0 0 409.486 4.437 20 5 HIBDRN O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000485258202 900544129 /nfs/dbraw/zinc/54/41/29/900544129.db2.gz ONRNKULDKURKDU-IBGZPJMESA-N 0 0 420.400 4.160 20 5 HIBDRN CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000485278820 900556352 /nfs/dbraw/zinc/55/63/52/900556352.db2.gz URHACZYAHPRIOW-ZDUSSCGKSA-N 0 0 423.391 4.032 20 5 HIBDRN CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000485278819 900556552 /nfs/dbraw/zinc/55/65/52/900556552.db2.gz URHACZYAHPRIOW-CYBMUJFWSA-N 0 0 423.391 4.032 20 5 HIBDRN CCOc1ccc(C(=O)NCc2ccc(OC)c(OC3CCCC3)c2)cc1[N+](=O)[O-] ZINC000485283732 900560474 /nfs/dbraw/zinc/56/04/74/900560474.db2.gz JGSXXQLFSGKHAO-UHFFFAOYSA-N 0 0 414.458 4.254 20 5 HIBDRN COc1ccc(-c2nc(CS(=O)(=O)[C@H](C)c3cc([N+](=O)[O-])ccc3C)co2)cc1 ZINC000485283568 900561158 /nfs/dbraw/zinc/56/11/58/900561158.db2.gz GYCMOPPBLOOCON-CQSZACIVSA-N 0 0 416.455 4.243 20 5 HIBDRN CC(C)CC(=O)Nc1cccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000485284224 900561843 /nfs/dbraw/zinc/56/18/43/900561843.db2.gz NFPFZELRJBBSBB-UHFFFAOYSA-N 0 0 424.501 4.454 20 5 HIBDRN CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000485285376 900563476 /nfs/dbraw/zinc/56/34/76/900563476.db2.gz LKWFVHBSUGRHKV-DOMZBBRYSA-N 0 0 416.259 4.144 20 5 HIBDRN CS(=O)(=O)c1ccc(Oc2ccc(C(=O)Nc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000485306403 900584337 /nfs/dbraw/zinc/58/43/37/900584337.db2.gz VKVIADPLBPAWOI-UHFFFAOYSA-N 0 0 412.423 4.043 20 5 HIBDRN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](c1ccccc1)C(F)(F)F ZINC000485319243 900598804 /nfs/dbraw/zinc/59/88/04/900598804.db2.gz MGFPSRLLUKATBY-KRWDZBQOSA-N 0 0 404.348 4.156 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CSc1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000485363427 900658737 /nfs/dbraw/zinc/65/87/37/900658737.db2.gz QYNVQYAZVKYOOX-UHFFFAOYSA-N 0 0 406.851 4.246 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O ZINC000485369325 900666484 /nfs/dbraw/zinc/66/64/84/900666484.db2.gz DPVPSNXDSMKKCW-UHFFFAOYSA-N 0 0 407.451 4.399 20 5 HIBDRN CC[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000485373336 900670721 /nfs/dbraw/zinc/67/07/21/900670721.db2.gz AUVTXOYJIPSSGP-LJQANCHMSA-N 0 0 411.458 4.191 20 5 HIBDRN COC(=O)CSCc1cccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000485374045 900670974 /nfs/dbraw/zinc/67/09/74/900670974.db2.gz FAPVQABSZBHAKF-CYBMUJFWSA-N 0 0 420.512 4.120 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC000485382129 900678650 /nfs/dbraw/zinc/67/86/50/900678650.db2.gz SHMSHGGPWZLKPO-UHFFFAOYSA-N 0 0 423.454 4.191 20 5 HIBDRN CCCCN(C)C(=O)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485390788 900687429 /nfs/dbraw/zinc/68/74/29/900687429.db2.gz NJPADYLIWYLIRN-UHFFFAOYSA-N 0 0 414.481 4.271 20 5 HIBDRN O=C1CCCCN1CC1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485395074 900692517 /nfs/dbraw/zinc/69/25/17/900692517.db2.gz CDOBHQPAQQTEOJ-UHFFFAOYSA-N 0 0 412.465 4.025 20 5 HIBDRN CN(C)C(=O)C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000485409106 900706644 /nfs/dbraw/zinc/70/66/44/900706644.db2.gz QVHSVGBZKPQSTI-GOSISDBHSA-N 0 0 408.433 4.427 20 5 HIBDRN COCCN(Cc1scnc1C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485409618 900708414 /nfs/dbraw/zinc/70/84/14/900708414.db2.gz PEFLGJKPZZVLSX-UHFFFAOYSA-N 0 0 402.451 4.214 20 5 HIBDRN COC(=O)c1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1F ZINC000485412971 900710926 /nfs/dbraw/zinc/71/09/26/900710926.db2.gz TYHWNEYVGZTLEV-UHFFFAOYSA-N 0 0 409.801 4.231 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nncn3C3CC3)C2)nc1-c1ccc(F)cc1 ZINC000485417206 900716031 /nfs/dbraw/zinc/71/60/31/900716031.db2.gz PVNGZXZVXMQCTQ-HNNXBMFYSA-N 0 0 408.437 4.106 20 5 HIBDRN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485450994 900746133 /nfs/dbraw/zinc/74/61/33/900746133.db2.gz KWCHNISLVUKKEK-GOEBONIOSA-N 0 0 412.776 4.110 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(COc3cc(Br)cc(F)c3F)n2)cc1 ZINC000485475418 900770022 /nfs/dbraw/zinc/77/00/22/900770022.db2.gz FMBXDFDWXVWCEI-UHFFFAOYSA-N 0 0 412.146 4.265 20 5 HIBDRN CSc1cccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1[N+](=O)[O-] ZINC000485487045 900779079 /nfs/dbraw/zinc/77/90/79/900779079.db2.gz HXXXQXYUURDRMI-UHFFFAOYSA-N 0 0 421.478 4.499 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000485497910 900786957 /nfs/dbraw/zinc/78/69/57/900786957.db2.gz VUKZJANHOFIVRA-DOTOQJQBSA-N 0 0 405.907 4.145 20 5 HIBDRN O=C(NCC1Cc2ccccc2C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485497852 900786990 /nfs/dbraw/zinc/78/69/90/900786990.db2.gz VMSONMVEECIURH-UHFFFAOYSA-N 0 0 402.450 4.319 20 5 HIBDRN Cc1ccc([C@@H]2COCCN2C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])o1 ZINC000485501547 900790802 /nfs/dbraw/zinc/79/08/02/900790802.db2.gz WPIMQSMGVWBCFJ-NRFANRHFSA-N 0 0 422.437 4.289 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1[N+](=O)[O-] ZINC000485502590 900791237 /nfs/dbraw/zinc/79/12/37/900791237.db2.gz HQSRKFNVLKAKID-VIFPVBQESA-N 0 0 416.425 4.183 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccnc(N3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000485522260 900805006 /nfs/dbraw/zinc/80/50/06/900805006.db2.gz XORKSMZPWWHYME-UHFFFAOYSA-N 0 0 400.504 4.022 20 5 HIBDRN O=C(CCOCC(F)(F)C(F)(F)F)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000485523595 900806370 /nfs/dbraw/zinc/80/63/70/900806370.db2.gz CTIQWEUATOMYPR-UHFFFAOYSA-N 0 0 410.339 4.475 20 5 HIBDRN CCCOc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c(OCCCOC)c1 ZINC000485542993 900818507 /nfs/dbraw/zinc/81/85/07/900818507.db2.gz AYYQEFASXANGNE-UHFFFAOYSA-N 0 0 414.458 4.002 20 5 HIBDRN COC(=O)c1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)cc([N+](=O)[O-])c1 ZINC000485578252 900845331 /nfs/dbraw/zinc/84/53/31/900845331.db2.gz CUHSUSDWZZAMQM-PWRODBHTSA-N 0 0 408.454 4.180 20 5 HIBDRN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000485600411 900861008 /nfs/dbraw/zinc/86/10/08/900861008.db2.gz OPNBXKFNFHWHNF-AWEZNQCLSA-N 0 0 417.181 4.433 20 5 HIBDRN CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000485604416 900864501 /nfs/dbraw/zinc/86/45/01/900864501.db2.gz XEFPESGIODXEMK-UHFFFAOYSA-N 0 0 407.829 4.073 20 5 HIBDRN COc1ccc(C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)cc1 ZINC000485604947 900864793 /nfs/dbraw/zinc/86/47/93/900864793.db2.gz JXJIMTQCORELFV-HNNXBMFYSA-N 0 0 420.412 4.300 20 5 HIBDRN COc1cc(OCC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000485625054 900879776 /nfs/dbraw/zinc/87/97/76/900879776.db2.gz ILXSENCSQYQYKR-ZCNNSNEGSA-N 0 0 410.470 4.167 20 5 HIBDRN CC(C)(C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000485656649 900908927 /nfs/dbraw/zinc/90/89/27/900908927.db2.gz KBHYQFAJKKOEMJ-AWEZNQCLSA-N 0 0 405.857 4.060 20 5 HIBDRN Cc1ccccc1[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C1CC1 ZINC000485658758 900910517 /nfs/dbraw/zinc/91/05/17/900910517.db2.gz ASLAXKNCBUHVRG-LJQANCHMSA-N 0 0 423.498 4.064 20 5 HIBDRN Cc1nc2ccccc2c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1C(C)C ZINC000485663994 900915571 /nfs/dbraw/zinc/91/55/71/900915571.db2.gz BYCRIHUODGCDQC-UHFFFAOYSA-N 0 0 415.453 4.435 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000485677200 900927957 /nfs/dbraw/zinc/92/79/57/900927957.db2.gz DOMIPMBMCOSFQI-CQSZACIVSA-N 0 0 422.268 4.135 20 5 HIBDRN CCCCc1nc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(C(=O)OCC)[nH]1 ZINC000485701635 900950466 /nfs/dbraw/zinc/95/04/66/900950466.db2.gz LMEQPLNIHNUEIZ-UHFFFAOYSA-N 0 0 408.842 4.051 20 5 HIBDRN Cc1ccc2c(CCNC(=O)c3sc(Br)cc3[N+](=O)[O-])cn(C)c2c1 ZINC000485706290 900955050 /nfs/dbraw/zinc/95/50/50/900955050.db2.gz SIVSOGHYZRTPJH-UHFFFAOYSA-N 0 0 422.304 4.191 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC(=O)Nc1ccccc1Br ZINC000485743164 900998457 /nfs/dbraw/zinc/99/84/57/900998457.db2.gz JPXPPFZPNIKILR-ZDUSSCGKSA-N 0 0 406.280 4.297 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)c2cccc(SC)c2[N+](=O)[O-])c(OC)c1 ZINC000485759195 901015827 /nfs/dbraw/zinc/01/58/27/901015827.db2.gz OBUTWABCJIDHNR-MRXNPFEDSA-N 0 0 402.472 4.311 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000485758108 901016157 /nfs/dbraw/zinc/01/61/57/901016157.db2.gz LDOGHDFNSNVWSW-INIZCTEOSA-N 0 0 402.472 4.130 20 5 HIBDRN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485758038 901016382 /nfs/dbraw/zinc/01/63/82/901016382.db2.gz KRLFWYFTFMAJHS-BQBZGAKWSA-N 0 0 401.204 4.222 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000485763903 901020230 /nfs/dbraw/zinc/02/02/30/901020230.db2.gz DSQGYSNUHFGQNJ-OAHLLOKOSA-N 0 0 419.428 4.024 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC(c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000485776746 901033671 /nfs/dbraw/zinc/03/36/71/901033671.db2.gz WQWPWMXKAVTOKP-UHFFFAOYSA-N 0 0 406.529 4.304 20 5 HIBDRN O=C(c1ccco1)N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000505852888 914501601 /nfs/dbraw/zinc/50/16/01/914501601.db2.gz BXGRJBGUEFSEFN-UHFFFAOYSA-N 0 0 415.833 4.059 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2noc([C@H]3COc4ccccc4O3)n2)c(C(F)(F)F)c1 ZINC000485843441 901087047 /nfs/dbraw/zinc/08/70/47/901087047.db2.gz HKCLXKBMPDSSPY-OAHLLOKOSA-N 0 0 423.303 4.088 20 5 HIBDRN COc1cc(C(=O)N2CCC(=O)[C@@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000505857787 914504639 /nfs/dbraw/zinc/50/46/39/914504639.db2.gz VNPPAAXEGNNVGJ-LBPRGKRZSA-N 0 0 418.833 4.100 20 5 HIBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1C ZINC000485874198 901111350 /nfs/dbraw/zinc/11/13/50/901111350.db2.gz OSLLKAHOCNHFJX-UHFFFAOYSA-N 0 0 413.865 4.126 20 5 HIBDRN COc1ccc([C@@H](C)CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000485888857 901122560 /nfs/dbraw/zinc/12/25/60/901122560.db2.gz NNPLUFFAHVXIDD-JTQLQIEISA-N 0 0 413.293 4.351 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000485918989 901145385 /nfs/dbraw/zinc/14/53/85/901145385.db2.gz JWNMZLPRDUXOMF-UHFFFAOYSA-N 0 0 416.499 4.434 20 5 HIBDRN COC(=O)c1cc(NC(=O)CCc2ccc(Br)cc2)c(C)c([N+](=O)[O-])c1 ZINC000485981094 901198957 /nfs/dbraw/zinc/19/89/57/901198957.db2.gz PSKPNIULHTUCHE-UHFFFAOYSA-N 0 0 421.247 4.024 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)F)c(C)c([N+](=O)[O-])c1 ZINC000485981271 901200760 /nfs/dbraw/zinc/20/07/60/901200760.db2.gz OLFPQMBIICSECP-KGLIPLIRSA-N 0 0 420.368 4.033 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1OC ZINC000485989386 901206314 /nfs/dbraw/zinc/20/63/14/901206314.db2.gz NSCFGIDGWSEZKV-UHFFFAOYSA-N 0 0 416.821 4.094 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1C ZINC000485988727 901207338 /nfs/dbraw/zinc/20/73/38/901207338.db2.gz LSLMPMTUOLXLFH-INIZCTEOSA-N 0 0 411.502 4.420 20 5 HIBDRN Cn1cc(-c2ccnc(NCc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)n2)cn1 ZINC000485990916 901208689 /nfs/dbraw/zinc/20/86/89/901208689.db2.gz PJIXOZYGJYCRNL-UHFFFAOYSA-N 0 0 420.404 4.329 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1C ZINC000485992557 901209962 /nfs/dbraw/zinc/20/99/62/901209962.db2.gz ZINKIEUZTPSDSY-UHFFFAOYSA-N 0 0 411.502 4.420 20 5 HIBDRN O=C(c1cccnc1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCCC1 ZINC000486004627 901218241 /nfs/dbraw/zinc/21/82/41/901218241.db2.gz NZYHOMGWHUKLQI-UHFFFAOYSA-N 0 0 408.380 4.247 20 5 HIBDRN O=C(c1n[nH]c2ccc(Br)cc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486011252 901221386 /nfs/dbraw/zinc/22/13/86/901221386.db2.gz BFWSCTYJYCLZAR-UHFFFAOYSA-N 0 0 415.247 4.038 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc(-c2ccncc2)cs1 ZINC000486018065 901225633 /nfs/dbraw/zinc/22/56/33/901225633.db2.gz QVDQBMNVZOWWHL-UHFFFAOYSA-N 0 0 414.512 4.198 20 5 HIBDRN CS(=O)(=O)c1ccc(N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000486049882 901249005 /nfs/dbraw/zinc/24/90/05/901249005.db2.gz CLOATHHSJMMNJP-OTWHNJEPSA-N 0 0 400.500 4.161 20 5 HIBDRN CS(=O)(=O)c1ccc(N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000486049881 901249208 /nfs/dbraw/zinc/24/92/08/901249208.db2.gz CLOATHHSJMMNJP-IPMKNSEASA-N 0 0 400.500 4.161 20 5 HIBDRN COc1cc(CNc2ccc(CC(=O)N(C)c3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000486053753 901251644 /nfs/dbraw/zinc/25/16/44/901251644.db2.gz TVCUIJHDLVLILV-UHFFFAOYSA-N 0 0 405.454 4.421 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCC(n3c(C)ccc3C)CC2)cc1SC ZINC000486070047 901263407 /nfs/dbraw/zinc/26/34/07/901263407.db2.gz NTULATPFGZGCQI-UHFFFAOYSA-N 0 0 403.504 4.221 20 5 HIBDRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486084052 901272663 /nfs/dbraw/zinc/27/26/63/901272663.db2.gz GJJXFELLPDYKDN-ZDUSSCGKSA-N 0 0 423.847 4.020 20 5 HIBDRN COc1cc(C=Cc2cc(=O)[nH]c(C3CC3)n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000486102062 901288951 /nfs/dbraw/zinc/28/89/51/901288951.db2.gz HTJNIDCURKTVJI-SNAWJCMRSA-N 0 0 411.336 4.088 20 5 HIBDRN CCc1cccc2c1OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000486108590 901294559 /nfs/dbraw/zinc/29/45/59/901294559.db2.gz UQWMDVVCDCRINJ-SFHVURJKSA-N 0 0 416.499 4.149 20 5 HIBDRN Cc1cnc([C@@H](C)CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])s1 ZINC000486119306 901306249 /nfs/dbraw/zinc/30/62/49/901306249.db2.gz UYBFFHIIIJQCOD-AWEZNQCLSA-N 0 0 411.483 4.472 20 5 HIBDRN C[C@@]1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000486159974 901348170 /nfs/dbraw/zinc/34/81/70/901348170.db2.gz UKSSJVKGJHLGEU-GMAHTHKFSA-N 0 0 410.470 4.109 20 5 HIBDRN Cc1ccc([C@H]2CCCN2c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 ZINC000486161861 901349201 /nfs/dbraw/zinc/34/92/01/901349201.db2.gz XVAISCODJPMJPL-GOSISDBHSA-N 0 0 410.861 4.444 20 5 HIBDRN Cc1ccc(OC(F)F)c(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000486171662 901357693 /nfs/dbraw/zinc/35/76/93/901357693.db2.gz FSNVWGQKIGMZOE-UHFFFAOYSA-N 0 0 421.219 4.259 20 5 HIBDRN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486182166 901367824 /nfs/dbraw/zinc/36/78/24/901367824.db2.gz BVBHXXBISVWMBE-IFMALSPDSA-N 0 0 420.469 4.284 20 5 HIBDRN CSc1cccc(C(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)c1[N+](=O)[O-] ZINC000486195791 901380877 /nfs/dbraw/zinc/38/08/77/901380877.db2.gz UTGWTGNWHKXISD-AWEZNQCLSA-N 0 0 403.504 4.455 20 5 HIBDRN CSc1cccc(C(=O)Nc2nnc(Cc3ccccc3F)s2)c1[N+](=O)[O-] ZINC000486223701 901407227 /nfs/dbraw/zinc/40/72/27/901407227.db2.gz ZDUYQKWFKUYIQP-UHFFFAOYSA-N 0 0 404.448 4.150 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000486224759 901408367 /nfs/dbraw/zinc/40/83/67/901408367.db2.gz TYNJHLTWLYUPJX-MNOVXSKESA-N 0 0 413.400 4.092 20 5 HIBDRN CSc1cccc(C(=O)Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000486237146 901419151 /nfs/dbraw/zinc/41/91/51/901419151.db2.gz WVZLTEMUFNRLPU-HUUCEWRRSA-N 0 0 415.515 4.178 20 5 HIBDRN CSc1cccc(C(=O)N(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000486238114 901420649 /nfs/dbraw/zinc/42/06/49/901420649.db2.gz ZMTVPZPOIUVBOK-SFHVURJKSA-N 0 0 414.462 4.051 20 5 HIBDRN CSc1cccc(C(=O)NCCc2cc(Br)ccc2F)c1[N+](=O)[O-] ZINC000486242976 901425615 /nfs/dbraw/zinc/42/56/15/901425615.db2.gz XYMPKYZFLRJBGU-UHFFFAOYSA-N 0 0 413.268 4.191 20 5 HIBDRN CCOC(=O)Cn1ccc2cc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])ccc21 ZINC000486250866 901434210 /nfs/dbraw/zinc/43/42/10/901434210.db2.gz CPCFBGNAOHZMEX-UHFFFAOYSA-N 0 0 413.455 4.087 20 5 HIBDRN CCCOCc1ccccc1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000486277943 901461773 /nfs/dbraw/zinc/46/17/73/901461773.db2.gz XJHRFYVHJSRYDI-UHFFFAOYSA-N 0 0 405.882 4.217 20 5 HIBDRN CC(C)(NC(=O)NCCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000486346846 901519066 /nfs/dbraw/zinc/51/90/66/901519066.db2.gz SJSSUEHAJMLUNW-UHFFFAOYSA-N 0 0 410.499 4.495 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000486369956 901536222 /nfs/dbraw/zinc/53/62/22/901536222.db2.gz CTXUEVHABSKWQU-UHFFFAOYSA-N 0 0 419.363 4.123 20 5 HIBDRN CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCO1 ZINC000486423901 901582111 /nfs/dbraw/zinc/58/21/11/901582111.db2.gz KYYDWSFXKISTLX-UWJYYQICSA-N 0 0 412.486 4.497 20 5 HIBDRN COCCn1ccc2ccc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])cc21 ZINC000486432440 901591533 /nfs/dbraw/zinc/59/15/33/901591533.db2.gz YPTQSTWSPQFNGC-UHFFFAOYSA-N 0 0 424.276 4.272 20 5 HIBDRN CSc1cccc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000486437422 901596252 /nfs/dbraw/zinc/59/62/52/901596252.db2.gz VTNJUMOTIQABQZ-UHFFFAOYSA-N 0 0 402.472 4.453 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-n1cccn1 ZINC000486443661 901601769 /nfs/dbraw/zinc/60/17/69/901601769.db2.gz BMRGUHLZVKSBMH-UHFFFAOYSA-N 0 0 410.499 4.459 20 5 HIBDRN O=c1c(Cl)c(N2CCC[C@@H]2c2ccc(F)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000486444519 901603710 /nfs/dbraw/zinc/60/37/10/901603710.db2.gz WWRIWOSNRBTBQR-QGZVFWFLSA-N 0 0 414.824 4.275 20 5 HIBDRN O=C(Cc1ccc(F)cc1Br)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000486477405 901635796 /nfs/dbraw/zinc/63/57/96/901635796.db2.gz HJEYIZGNPPIGIM-UHFFFAOYSA-N 0 0 419.210 4.068 20 5 HIBDRN CSc1cccc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000486483816 901641083 /nfs/dbraw/zinc/64/10/83/901641083.db2.gz DGEBEDGGLXJOPI-UHFFFAOYSA-N 0 0 423.897 4.067 20 5 HIBDRN COC[C@@H](c1ccc(Cl)cc1)N(C)c1ncc([N+](=O)[O-])cc1Br ZINC000486495533 901647337 /nfs/dbraw/zinc/64/73/37/901647337.db2.gz GIWQPLXWLJFNHY-AWEZNQCLSA-N 0 0 400.660 4.230 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2cccs2)no1 ZINC000486494863 901647423 /nfs/dbraw/zinc/64/74/23/901647423.db2.gz DDNVMFJZVFJHAL-UHFFFAOYSA-N 0 0 418.500 4.384 20 5 HIBDRN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000486512277 901663173 /nfs/dbraw/zinc/66/31/73/901663173.db2.gz YMKOXZNHESRMAZ-CQSZACIVSA-N 0 0 414.462 4.154 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2cc(Br)c(C)cc2C)cc([N+](=O)[O-])c1 ZINC000486599169 901736977 /nfs/dbraw/zinc/73/69/77/901736977.db2.gz GGILUTFHIKMANC-UHFFFAOYSA-N 0 0 407.220 4.013 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Br)c(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000486613219 901748556 /nfs/dbraw/zinc/74/85/56/901748556.db2.gz WUXMNJUZEJIUSF-UHFFFAOYSA-N 0 0 409.236 4.244 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000486614347 901750490 /nfs/dbraw/zinc/75/04/90/901750490.db2.gz ITAYXUXYDLQIHQ-NSHDSACASA-N 0 0 402.813 4.111 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccccc1N1CCCC1=O ZINC000486650159 901774190 /nfs/dbraw/zinc/77/41/90/901774190.db2.gz JXJGZXTYFBZCTA-UHFFFAOYSA-N 0 0 422.363 4.062 20 5 HIBDRN O=C(Nc1ccccc1N1CCCCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000486666228 901784091 /nfs/dbraw/zinc/78/40/91/901784091.db2.gz QOYPCAZJLAAEKC-UHFFFAOYSA-N 0 0 412.494 4.041 20 5 HIBDRN CC(=O)Nc1cccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1C ZINC000486670900 901786622 /nfs/dbraw/zinc/78/66/22/901786622.db2.gz GNXOZNATXXSLRQ-UHFFFAOYSA-N 0 0 410.352 4.202 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000486694306 901798907 /nfs/dbraw/zinc/79/89/07/901798907.db2.gz MFKUEUFUZWOIOW-UHFFFAOYSA-N 0 0 422.281 4.485 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000486701970 901802977 /nfs/dbraw/zinc/80/29/77/901802977.db2.gz BBEUSQBWXDGCGS-CABCVRRESA-N 0 0 400.303 4.312 20 5 HIBDRN CC[C@@H](Oc1ccccc1F)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486708506 901805562 /nfs/dbraw/zinc/80/55/62/901805562.db2.gz JYLCYCPOCJGJJZ-OAHLLOKOSA-N 0 0 400.328 4.227 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000486712494 901807710 /nfs/dbraw/zinc/80/77/10/901807710.db2.gz UHGHNBPEEGUZLO-STQMWFEESA-N 0 0 400.303 4.312 20 5 HIBDRN O=C(COc1ccc(F)cc1Cl)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486720831 901812965 /nfs/dbraw/zinc/81/29/65/901812965.db2.gz FHUFAXOIIODSGA-UHFFFAOYSA-N 0 0 406.719 4.101 20 5 HIBDRN CC(=O)Nc1ccc(Cl)c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000486739140 901823104 /nfs/dbraw/zinc/82/31/04/901823104.db2.gz SESQIYBUAOIYTJ-UHFFFAOYSA-N 0 0 415.755 4.155 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccnc(Oc2ccccc2F)c1 ZINC000486759938 901834977 /nfs/dbraw/zinc/83/49/77/901834977.db2.gz HGHJIZZQPUKKPG-UHFFFAOYSA-N 0 0 412.377 4.252 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(N2CCCC2=O)cc1 ZINC000486773545 901844800 /nfs/dbraw/zinc/84/48/00/901844800.db2.gz MOSKTMGUDZAAHD-UHFFFAOYSA-N 0 0 422.363 4.062 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000486843604 901891404 /nfs/dbraw/zinc/89/14/04/901891404.db2.gz IUPAWNZOFGDAAI-MONCILHSSA-N 0 0 414.433 4.336 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@H]2c2ccccc2OC)c(C)c([N+](=O)[O-])c1 ZINC000486853403 901899361 /nfs/dbraw/zinc/89/93/61/901899361.db2.gz AGQWKYAYGDIHHQ-KRWDZBQOSA-N 0 0 413.430 4.067 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC(OC3CCCCC3)CC2)c(C)c([N+](=O)[O-])c1 ZINC000486863745 901909840 /nfs/dbraw/zinc/90/98/40/901909840.db2.gz AGQHPRFYDBGISH-UHFFFAOYSA-N 0 0 419.478 4.035 20 5 HIBDRN COC(=O)c1cc(NC(=O)N(Cc2ccc(F)cc2)C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000486870930 901916679 /nfs/dbraw/zinc/91/66/79/901916679.db2.gz SEGIIBAOYPXTMF-UHFFFAOYSA-N 0 0 401.394 4.025 20 5 HIBDRN O=C(NCCc1cn2ccccc2n1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000486871228 901916978 /nfs/dbraw/zinc/91/69/78/901916978.db2.gz XUPPEGYXZPHVLD-UHFFFAOYSA-N 0 0 418.478 4.366 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)c(C)c([N+](=O)[O-])c1 ZINC000486883570 901929711 /nfs/dbraw/zinc/92/97/11/901929711.db2.gz RJVIBHNUYRSWSQ-BLVKFPJESA-N 0 0 415.421 4.444 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)c(C)c([N+](=O)[O-])c1 ZINC000486883575 901930160 /nfs/dbraw/zinc/93/01/60/901930160.db2.gz RJVIBHNUYRSWSQ-HXPMCKFVSA-N 0 0 415.421 4.444 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@H]2/C=C\c2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000486884432 901931139 /nfs/dbraw/zinc/93/11/39/901931139.db2.gz RWQTYMDHXBUKNC-LENZSSGSSA-N 0 0 409.442 4.400 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000486896025 901938927 /nfs/dbraw/zinc/93/89/27/901938927.db2.gz QKSYCTMOZNZFDE-UHFFFAOYSA-N 0 0 408.376 4.358 20 5 HIBDRN COc1cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)ccc1[N+](=O)[O-] ZINC000486909138 901955606 /nfs/dbraw/zinc/95/56/06/901955606.db2.gz ZZSBPGCLYAEXER-UHFFFAOYSA-N 0 0 424.375 4.058 20 5 HIBDRN O=C(NCCc1cn2c(n1)CCCC2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487000898 902008453 /nfs/dbraw/zinc/00/84/53/902008453.db2.gz PRKDKULHPPMALY-UHFFFAOYSA-N 0 0 422.510 4.251 20 5 HIBDRN C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000487039566 902032967 /nfs/dbraw/zinc/03/29/67/902032967.db2.gz ZAERHLXTNRWNRF-HNNXBMFYSA-N 0 0 409.467 4.385 20 5 HIBDRN C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000487039569 902033698 /nfs/dbraw/zinc/03/36/98/902033698.db2.gz ZAERHLXTNRWNRF-OAHLLOKOSA-N 0 0 409.467 4.385 20 5 HIBDRN CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCSc2ccc(Br)cc21 ZINC000505937545 914588923 /nfs/dbraw/zinc/58/89/23/914588923.db2.gz GTXTZKJONQEXFB-ZDUSSCGKSA-N 0 0 410.293 4.385 20 5 HIBDRN C[C@H](Oc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1)c1ccccc1 ZINC000487098833 902058698 /nfs/dbraw/zinc/05/86/98/902058698.db2.gz KGBZTTWCMWOLDX-KRWDZBQOSA-N 0 0 420.469 4.409 20 5 HIBDRN O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000487112919 902062756 /nfs/dbraw/zinc/06/27/56/902062756.db2.gz IAHYAVLSISMFIG-UHFFFAOYSA-N 0 0 413.773 4.417 20 5 HIBDRN CCNc1ccc(C(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000487122120 902065426 /nfs/dbraw/zinc/06/54/26/902065426.db2.gz USUSWXJEVBIQSQ-UHFFFAOYSA-N 0 0 410.474 4.213 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000487167664 902082750 /nfs/dbraw/zinc/08/27/50/902082750.db2.gz UUCTTZBNFUAJIH-UHFFFAOYSA-N 0 0 401.325 4.078 20 5 HIBDRN Cc1ccc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C(=O)N1CCOCC1 ZINC000487169638 902084423 /nfs/dbraw/zinc/08/44/23/902084423.db2.gz GEWBXMFPQDTNOB-UHFFFAOYSA-N 0 0 421.453 4.248 20 5 HIBDRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000487262576 902124205 /nfs/dbraw/zinc/12/42/05/902124205.db2.gz KGAGADFXQCOOIX-SFHVURJKSA-N 0 0 402.834 4.157 20 5 HIBDRN CC(C)[C@@H]1CN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2ccccc21 ZINC000487262734 902125647 /nfs/dbraw/zinc/12/56/47/902125647.db2.gz YMTPIMSYXSNLJJ-INIZCTEOSA-N 0 0 423.498 4.275 20 5 HIBDRN COc1cccc(CN(C)C(=O)CNc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000487352858 902157925 /nfs/dbraw/zinc/15/79/25/902157925.db2.gz KJTIFSPZVWJSKC-UHFFFAOYSA-N 0 0 421.453 4.466 20 5 HIBDRN O=C(CNc1ccc(Oc2ccc(Cl)cn2)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000487394791 902179563 /nfs/dbraw/zinc/17/95/63/902179563.db2.gz DNWIVOIRYVIPRF-UHFFFAOYSA-N 0 0 424.844 4.437 20 5 HIBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC(c2cn[nH]c2)CC1 ZINC000487527762 902233922 /nfs/dbraw/zinc/23/39/22/902233922.db2.gz RHCJFXMBUZDXMZ-UHFFFAOYSA-N 0 0 408.483 4.489 20 5 HIBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(-c2ccco2)cc1F ZINC000487573354 902245218 /nfs/dbraw/zinc/24/52/18/902245218.db2.gz MJAMJEDTFAOPRR-UHFFFAOYSA-N 0 0 417.780 4.016 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)c1 ZINC000487626384 902257915 /nfs/dbraw/zinc/25/79/15/902257915.db2.gz HWUSSJYQOGQGOM-UHFFFAOYSA-N 0 0 419.409 4.490 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CCCC[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000487642488 902268684 /nfs/dbraw/zinc/26/86/84/902268684.db2.gz XEQUACJWEMVKAN-GOSISDBHSA-N 0 0 408.433 4.430 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000487686266 902292436 /nfs/dbraw/zinc/29/24/36/902292436.db2.gz GRCCVTNIXMYCBZ-AWEZNQCLSA-N 0 0 419.231 4.063 20 5 HIBDRN O=C(Nc1ncc(Cc2ccccc2)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487688578 902293502 /nfs/dbraw/zinc/29/35/02/902293502.db2.gz MKHRVGXKADLZMA-UHFFFAOYSA-N 0 0 405.382 4.496 20 5 HIBDRN Cc1cc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1Oc1ccncc1 ZINC000487717368 902313963 /nfs/dbraw/zinc/31/39/63/902313963.db2.gz HWHXVLNPNHGAEJ-UHFFFAOYSA-N 0 0 421.409 4.043 20 5 HIBDRN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487722792 902317726 /nfs/dbraw/zinc/31/77/26/902317726.db2.gz AWILUJIZZBKKDU-RDTXWAMCSA-N 0 0 406.385 4.094 20 5 HIBDRN O=C(Nc1ccc2c(c1)CC(=O)N2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487726830 902321122 /nfs/dbraw/zinc/32/11/22/902321122.db2.gz YRBVTZHUAWHNOZ-UHFFFAOYSA-N 0 0 405.435 4.493 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000487734234 902327999 /nfs/dbraw/zinc/32/79/99/902327999.db2.gz SUDUIIXWDOIEEF-HNNXBMFYSA-N 0 0 422.441 4.309 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 ZINC000487743656 902335732 /nfs/dbraw/zinc/33/57/32/902335732.db2.gz QGDJXXDCHVSYRY-UHFFFAOYSA-N 0 0 418.396 4.240 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCC3(CC2)OCCc2ccsc23)cc1[N+](=O)[O-] ZINC000487819817 902386647 /nfs/dbraw/zinc/38/66/47/902386647.db2.gz QZAKPBLXAKENNB-OAHLLOKOSA-N 0 0 415.515 4.299 20 5 HIBDRN CC[C@H](NC(=O)CCC(=O)N1CCSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000487828442 902392669 /nfs/dbraw/zinc/39/26/69/902392669.db2.gz BRQXNSNUKPONID-KRWDZBQOSA-N 0 0 413.499 4.081 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)o2)cs1 ZINC000487842877 902402119 /nfs/dbraw/zinc/40/21/19/902402119.db2.gz WTLIFBNYQBZREP-UHFFFAOYSA-N 0 0 412.471 4.494 20 5 HIBDRN CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000487860072 902411507 /nfs/dbraw/zinc/41/15/07/902411507.db2.gz NAEWITGRYYZYBP-GHTZIAJQSA-N 0 0 424.501 4.415 20 5 HIBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccccc1I ZINC000505963843 914623056 /nfs/dbraw/zinc/62/30/56/914623056.db2.gz GRVVTGPRDLUHCS-MRXNPFEDSA-N 0 0 422.222 4.177 20 5 HIBDRN CC(C)c1ccc(CN(C(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)C2CC2)cc1 ZINC000487886671 902428046 /nfs/dbraw/zinc/42/80/46/902428046.db2.gz XGXMQEUFEGXNCV-UHFFFAOYSA-N 0 0 419.481 4.224 20 5 HIBDRN O=c1c2ccccc2n(Cc2nnc(-c3c(Cl)cccc3Cl)o2)cc1[N+](=O)[O-] ZINC000487902268 902439118 /nfs/dbraw/zinc/43/91/18/902439118.db2.gz XQGQWEAHCRDXOQ-UHFFFAOYSA-N 0 0 417.208 4.315 20 5 HIBDRN O=c1c2ccccc2n(CCOc2ccc(Cl)cc2Br)cc1[N+](=O)[O-] ZINC000487903965 902440593 /nfs/dbraw/zinc/44/05/93/902440593.db2.gz CXNVKOBTHMWIGT-UHFFFAOYSA-N 0 0 423.650 4.405 20 5 HIBDRN CCCCOc1ccc(-c2nnc(Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)o2)cc1 ZINC000487910515 902446220 /nfs/dbraw/zinc/44/62/20/902446220.db2.gz LOEMAIAFUVJSJO-UHFFFAOYSA-N 0 0 420.425 4.187 20 5 HIBDRN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)c1ccc(Cl)cc1Cl ZINC000487922228 902454068 /nfs/dbraw/zinc/45/40/68/902454068.db2.gz SASODMFKMWDOMD-NSHDSACASA-N 0 0 420.252 4.094 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000487997821 902519032 /nfs/dbraw/zinc/51/90/32/902519032.db2.gz GJKRHVCMBZVLDN-INIZCTEOSA-N 0 0 411.502 4.198 20 5 HIBDRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488065855 902579131 /nfs/dbraw/zinc/57/91/31/902579131.db2.gz ODBKXDVXOYYCOM-YHEJKZAPSA-N 0 0 423.513 4.080 20 5 HIBDRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000488071752 902582503 /nfs/dbraw/zinc/58/25/03/902582503.db2.gz SSRDCMUCIFQIFJ-YVEFUNNKSA-N 0 0 420.453 4.273 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)c2occc2CN2C(=O)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000488076811 902585494 /nfs/dbraw/zinc/58/54/94/902585494.db2.gz FLLXPDAMFDMKMH-OAHLLOKOSA-N 0 0 419.437 4.077 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1[N+](=O)[O-] ZINC000488082588 902588945 /nfs/dbraw/zinc/58/89/45/902588945.db2.gz YHAVQAFNBJISSF-HNNXBMFYSA-N 0 0 419.437 4.285 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000488082688 902589187 /nfs/dbraw/zinc/58/91/87/902589187.db2.gz YRSQZOCCFQDDAX-GAJHUEQPSA-N 0 0 409.486 4.023 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000488082690 902589512 /nfs/dbraw/zinc/58/95/12/902589512.db2.gz YRSQZOCCFQDDAX-SBUREZEXSA-N 0 0 409.486 4.023 20 5 HIBDRN CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000488091949 902596880 /nfs/dbraw/zinc/59/68/80/902596880.db2.gz VZILYURZZBKRFK-CYBMUJFWSA-N 0 0 423.391 4.470 20 5 HIBDRN CCCNc1ccc(Cl)cc1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000488119640 902618782 /nfs/dbraw/zinc/61/87/82/902618782.db2.gz OSMIADQNLDRBCH-UHFFFAOYSA-N 0 0 414.853 4.212 20 5 HIBDRN COc1cccc(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c1[N+](=O)[O-] ZINC000488217773 902698398 /nfs/dbraw/zinc/69/83/98/902698398.db2.gz ZLAHKABKHDTVKY-UHFFFAOYSA-N 0 0 401.325 4.321 20 5 HIBDRN CCc1nc2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc2o1 ZINC000488289276 902751708 /nfs/dbraw/zinc/75/17/08/902751708.db2.gz ATDKTZHUHCHAIE-UHFFFAOYSA-N 0 0 409.320 4.492 20 5 HIBDRN CC(C)CCOc1cccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000488335469 902771125 /nfs/dbraw/zinc/77/11/25/902771125.db2.gz GRFJKLUEECOFRD-UHFFFAOYSA-N 0 0 401.467 4.085 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000488338313 902773798 /nfs/dbraw/zinc/77/37/98/902773798.db2.gz KUTOTXMWZCCRBD-UHFFFAOYSA-N 0 0 424.257 4.055 20 5 HIBDRN CCOc1cc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000488394768 902804895 /nfs/dbraw/zinc/80/48/95/902804895.db2.gz GOJQBFRGRBOQSQ-UHFFFAOYSA-N 0 0 423.416 4.329 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000488418306 902818206 /nfs/dbraw/zinc/81/82/06/902818206.db2.gz IGLJADYFQBSPMC-OAQYLSRUSA-N 0 0 417.893 4.269 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCSc2ccc(Cl)cc21 ZINC000488421965 902819303 /nfs/dbraw/zinc/81/93/03/902819303.db2.gz SPFRJJHLSMMCAW-UHFFFAOYSA-N 0 0 400.847 4.186 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000505993889 914662294 /nfs/dbraw/zinc/66/22/94/914662294.db2.gz VQAZLJCPEMCJGX-LZCIBIBXSA-N 0 0 424.423 4.057 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000488478468 902846817 /nfs/dbraw/zinc/84/68/17/902846817.db2.gz CZXGVWHKRDOOOR-UHFFFAOYSA-N 0 0 404.463 4.277 20 5 HIBDRN CC(C)N(Cc1cccnc1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000488609187 902898706 /nfs/dbraw/zinc/89/87/06/902898706.db2.gz IVTYKGJXUGCROM-UHFFFAOYSA-N 0 0 410.396 4.248 20 5 HIBDRN CC[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccccc1C ZINC000488651628 902919644 /nfs/dbraw/zinc/91/96/44/902919644.db2.gz ASQAXOXQNZFROC-LJQANCHMSA-N 0 0 414.505 4.437 20 5 HIBDRN CC[C@H](CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])Oc1ccccc1C ZINC000488651317 902920380 /nfs/dbraw/zinc/92/03/80/902920380.db2.gz DMVLTAMQAYXGJJ-CYBMUJFWSA-N 0 0 424.400 4.101 20 5 HIBDRN COc1cc(C)c(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F ZINC000488650702 902920396 /nfs/dbraw/zinc/92/03/96/902920396.db2.gz QLAOGSMSZKDUNI-UHFFFAOYSA-N 0 0 401.316 4.391 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)cc1OC1CCOCC1 ZINC000488721914 902966318 /nfs/dbraw/zinc/96/63/18/902966318.db2.gz FQUJQUKPWBMAAB-UHFFFAOYSA-N 0 0 423.828 4.267 20 5 HIBDRN Cc1cc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)nc(N2CCCC2)n1 ZINC000488747219 902978217 /nfs/dbraw/zinc/97/82/17/902978217.db2.gz NVMQWLPVSWUMGU-UHFFFAOYSA-N 0 0 408.437 4.107 20 5 HIBDRN C[C@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000488780645 902995500 /nfs/dbraw/zinc/99/55/00/902995500.db2.gz IJZDJOUQSAWUPX-JTQLQIEISA-N 0 0 404.835 4.418 20 5 HIBDRN Cc1ccsc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000488845688 903039625 /nfs/dbraw/zinc/03/96/25/903039625.db2.gz ZSXQXAWBPKBRSB-UHFFFAOYSA-N 0 0 410.864 4.399 20 5 HIBDRN C[C@H](c1ccc(C(C)(C)C)cc1)S(=O)(=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000488889716 903059544 /nfs/dbraw/zinc/05/95/44/903059544.db2.gz IJZJNOHBDQXPSV-CQSZACIVSA-N 0 0 419.499 4.435 20 5 HIBDRN CCn1c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nnc1-c1ccc(C)cc1 ZINC000488905608 903069758 /nfs/dbraw/zinc/06/97/58/903069758.db2.gz WLKSXMXQUZABTM-SFHVURJKSA-N 0 0 423.498 4.079 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N[C@H]3CCOC4(CCCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000489034761 903141479 /nfs/dbraw/zinc/14/14/79/903141479.db2.gz DBUHAZPPNKVJNH-SFHVURJKSA-N 0 0 401.507 4.053 20 5 HIBDRN O=C(Nc1nc2cc(F)c(F)cc2s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489070850 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ZINC000489401076 903369056 /nfs/dbraw/zinc/36/90/56/903369056.db2.gz XCQKOHOYHFTPRN-LLVKDONJSA-N 0 0 412.309 4.330 20 5 HIBDRN COCCCOc1cc(C)ccc1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489550100 903457859 /nfs/dbraw/zinc/45/78/59/903457859.db2.gz MHFUEYLQUAPOGM-UHFFFAOYSA-N 0 0 415.490 4.053 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000489549656 903457902 /nfs/dbraw/zinc/45/79/02/903457902.db2.gz OOVLVUBQWFDBEO-WBMJQRKESA-N 0 0 424.881 4.412 20 5 HIBDRN O=C(Nc1nc(CN2CCCCC2)cs1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000489565676 903467849 /nfs/dbraw/zinc/46/78/49/903467849.db2.gz UONMJSDTBLTKTC-UHFFFAOYSA-N 0 0 415.519 4.234 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000489607717 903495854 /nfs/dbraw/zinc/49/58/54/903495854.db2.gz VUBTXFCZVASUET-HOCLYGCPSA-N 0 0 418.490 4.491 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)cc1OC ZINC000489781970 903595308 /nfs/dbraw/zinc/59/53/08/903595308.db2.gz 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HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(Br)cn1C ZINC000489899081 903658391 /nfs/dbraw/zinc/65/83/91/903658391.db2.gz JSLIXDDFCFMNTK-UHFFFAOYSA-N 0 0 412.309 4.080 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)cc1CSC ZINC000489902577 903661528 /nfs/dbraw/zinc/66/15/28/903661528.db2.gz VJYJOZOWEURUMT-UHFFFAOYSA-N 0 0 424.519 4.265 20 5 HIBDRN CC(C)(NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000489905247 903664496 /nfs/dbraw/zinc/66/44/96/903664496.db2.gz FQZYLXOPQNXEQV-AEFFLSMTSA-N 0 0 421.856 4.452 20 5 HIBDRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489905029 903664807 /nfs/dbraw/zinc/66/48/07/903664807.db2.gz DVWYMXKMIBHWMO-MGPLVRAMSA-N 0 0 414.792 4.356 20 5 HIBDRN COc1ccc(C[C@H](C)CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000489973784 903706660 /nfs/dbraw/zinc/70/66/60/903706660.db2.gz SGGMQTJMTDZWTE-HNNXBMFYSA-N 0 0 415.490 4.025 20 5 HIBDRN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000489982260 903710810 /nfs/dbraw/zinc/71/08/10/903710810.db2.gz OMFOODKVHIFKIL-OAQYLSRUSA-N 0 0 410.449 4.259 20 5 HIBDRN Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000489995463 903716000 /nfs/dbraw/zinc/71/60/00/903716000.db2.gz UCSIHZLZSFCTMB-UHFFFAOYSA-N 0 0 408.311 4.406 20 5 HIBDRN Cc1cc(Br)c2c(c1)CN(C(=O)CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000490028262 903731854 /nfs/dbraw/zinc/73/18/54/903731854.db2.gz SZOUWQGSWSGVPU-UHFFFAOYSA-N 0 0 419.275 4.020 20 5 HIBDRN Cc1csc(-c2ccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2)n1 ZINC000506048700 914745479 /nfs/dbraw/zinc/74/54/79/914745479.db2.gz BZDKNCCVBUHMCR-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2N2CCCC2)cc1SC ZINC000490215567 903831594 /nfs/dbraw/zinc/83/15/94/903831594.db2.gz GQKPUAOHECXOQZ-UHFFFAOYSA-N 0 0 415.515 4.198 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000490248032 903853011 /nfs/dbraw/zinc/85/30/11/903853011.db2.gz 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921206662 /nfs/dbraw/zinc/20/66/62/921206662.db2.gz JCUXJFQJCBSMFH-HUUCEWRRSA-N 0 0 411.458 4.101 20 5 HIBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000512505751 921204358 /nfs/dbraw/zinc/20/43/58/921204358.db2.gz BIQDNIHDJOGUBU-NQCMUKECSA-N 0 0 412.408 4.423 20 5 HIBDRN CC1CCN(Cc2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000494917008 906090813 /nfs/dbraw/zinc/09/08/13/906090813.db2.gz LEAHPPMCNZKXOW-UHFFFAOYSA-N 0 0 402.520 4.200 20 5 HIBDRN CCN(C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)c1ccc(C(F)(F)F)cc1 ZINC000512510196 921208063 /nfs/dbraw/zinc/20/80/63/921208063.db2.gz WVCNBCHLPWRGFE-UHFFFAOYSA-N 0 0 419.363 4.169 20 5 HIBDRN CCc1nc([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cs1 ZINC000495026416 906185176 /nfs/dbraw/zinc/18/51/76/906185176.db2.gz PWDXATDNAQLDEW-SECBINFHSA-N 0 0 402.398 4.193 20 5 HIBDRN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000512522684 921213897 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402.516 4.239 20 5 HIBDRN Cc1nccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000495267148 906349624 /nfs/dbraw/zinc/34/96/24/906349624.db2.gz ZJBSXGNBVIFDHR-UHFFFAOYSA-N 0 0 410.499 4.413 20 5 HIBDRN C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N(C)C1CCCCC1 ZINC000495361071 906403490 /nfs/dbraw/zinc/40/34/90/906403490.db2.gz VLITYAQCDNYVNI-HNNXBMFYSA-N 0 0 409.555 4.358 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000495495476 906486510 /nfs/dbraw/zinc/48/65/10/906486510.db2.gz SIGIUEBLAZJYHG-JOCHJYFZSA-N 0 0 402.454 4.036 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000512574779 921244998 /nfs/dbraw/zinc/24/49/98/921244998.db2.gz TZEHKEVSPBVNIA-LLVKDONJSA-N 0 0 421.240 4.493 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](O)C34CCCC4)cc2[N+](=O)[O-])n1 ZINC000496010877 906596183 /nfs/dbraw/zinc/59/61/83/906596183.db2.gz JHLXFYVRVCDEHB-MRXNPFEDSA-N 0 0 419.528 4.031 20 5 HIBDRN 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DDDWLIUQFIHXJJ-UHFFFAOYSA-N 0 0 412.467 4.156 20 5 HIBDRN CS(=O)(=O)c1cccc(NCc2ccc(OCc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000497541287 907032919 /nfs/dbraw/zinc/03/29/19/907032919.db2.gz LEEJCLNRJLSUNV-UHFFFAOYSA-N 0 0 412.467 4.189 20 5 HIBDRN CC[C@H](Nc1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000497555484 907044663 /nfs/dbraw/zinc/04/46/63/907044663.db2.gz ZKEQNYRMCOJDOO-YOEHRIQHSA-N 0 0 411.380 4.269 20 5 HIBDRN Cc1cc([C@@H]2CN(C(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000497569697 907055407 /nfs/dbraw/zinc/05/54/07/907055407.db2.gz QLIQAFIXFTTWEW-DJJJIMSYSA-N 0 0 422.840 4.063 20 5 HIBDRN Cc1cc([C@@H]2CN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CCO2)ccc1F ZINC000497585630 907066705 /nfs/dbraw/zinc/06/67/05/907066705.db2.gz QRQXVKDKRHGWLU-LIRRHRJNSA-N 0 0 404.463 4.123 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)cc1[N+](=O)[O-])c1ccccn1 ZINC000497597023 907076292 /nfs/dbraw/zinc/07/62/92/907076292.db2.gz RSAWFPLNMVRPSZ-VPWXQRGCSA-N 0 0 422.485 4.137 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CCC[C@@H](C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000498043188 907550416 /nfs/dbraw/zinc/55/04/16/907550416.db2.gz VMYIQKTXHYPHLR-CQSZACIVSA-N 0 0 405.476 4.079 20 5 HIBDRN CC(C)[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)NCc1ccco1 ZINC000498082445 907592168 /nfs/dbraw/zinc/59/21/68/907592168.db2.gz PPYFQQGOQQRSHD-FQEVSTJZSA-N 0 0 421.522 4.113 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC000498092548 907600885 /nfs/dbraw/zinc/60/08/85/907600885.db2.gz UFWMWMQQMALJFY-OAQYLSRUSA-N 0 0 416.437 4.199 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC000498092547 907601736 /nfs/dbraw/zinc/60/17/36/907601736.db2.gz UFWMWMQQMALJFY-NRFANRHFSA-N 0 0 416.437 4.199 20 5 HIBDRN C[C@@H]1CN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)C[C@H](C)O1 ZINC000498137679 907658733 /nfs/dbraw/zinc/65/87/33/907658733.db2.gz BXOALIZGRZQWRD-IYBDPMFKSA-N 0 0 420.469 4.005 20 5 HIBDRN COc1ccccc1C[C@@H](C)CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498140627 907660512 /nfs/dbraw/zinc/66/05/12/907660512.db2.gz QMFNZHGRYSIJLY-QVKFZJNVSA-N 0 0 400.500 4.446 20 5 HIBDRN Cc1c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cnn1Cc1ccccc1 ZINC000498140943 907661589 /nfs/dbraw/zinc/66/15/89/907661589.db2.gz SYCOCNWHEDXYHV-OAQYLSRUSA-N 0 0 408.483 4.036 20 5 HIBDRN COc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000498153391 907679441 /nfs/dbraw/zinc/67/94/41/907679441.db2.gz PEHZLCVMZSRIDK-KRWDZBQOSA-N 0 0 423.288 4.254 20 5 HIBDRN O=C(c1cc[nH]c1)c1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000498152833 907679691 /nfs/dbraw/zinc/67/96/91/907679691.db2.gz LTAGGPWOFBAYPG-NRFANRHFSA-N 0 0 407.451 4.042 20 5 HIBDRN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cn1)c1ccccc1 ZINC000498159881 907686866 /nfs/dbraw/zinc/68/68/66/907686866.db2.gz WFEUHSXUCXWYRQ-UHFFFAOYSA-N 0 0 413.393 4.043 20 5 HIBDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498178614 907712303 /nfs/dbraw/zinc/71/23/03/907712303.db2.gz CQINVYMROIOHAJ-LBPRGKRZSA-N 0 0 414.259 4.267 20 5 HIBDRN O=C(N[C@@H](c1nccs1)c1ccccc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498181063 907713810 /nfs/dbraw/zinc/71/38/10/907713810.db2.gz FZYBALGLWNBOPQ-OAHLLOKOSA-N 0 0 405.382 4.172 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1cscn1)c1ccccc1 ZINC000498182327 907716282 /nfs/dbraw/zinc/71/62/82/907716282.db2.gz LDONJELIARRULZ-UHFFFAOYSA-N 0 0 405.382 4.500 20 5 HIBDRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000498194151 907729546 /nfs/dbraw/zinc/72/95/46/907729546.db2.gz XFAAHKWRVDOQOZ-OAHLLOKOSA-N 0 0 418.453 4.410 20 5 HIBDRN CC(C)(C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccccc1[N+](=O)[O-] ZINC000498212321 907743759 /nfs/dbraw/zinc/74/37/59/907743759.db2.gz OEENMEJAIMACQA-CYBMUJFWSA-N 0 0 405.857 4.060 20 5 HIBDRN Cc1cc(=O)c(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cn1C1CC1 ZINC000498275289 907811424 /nfs/dbraw/zinc/81/14/24/907811424.db2.gz LEHQNARWILIKCZ-UHFFFAOYSA-N 0 0 405.410 4.444 20 5 HIBDRN O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498294410 907824792 /nfs/dbraw/zinc/82/47/92/907824792.db2.gz LQHAANJCVKTKDF-UHFFFAOYSA-N 0 0 418.384 4.399 20 5 HIBDRN Cc1ccc(Cc2ccccn2)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000512851005 921355910 /nfs/dbraw/zinc/35/59/10/921355910.db2.gz WGBOWVBYDRDVPC-UHFFFAOYSA-N 0 0 413.437 4.327 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000498302024 907828657 /nfs/dbraw/zinc/82/86/57/907828657.db2.gz CHTZNOAKGCDTPU-LLVKDONJSA-N 0 0 412.412 4.125 20 5 HIBDRN CCOCCOc1ccccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000498303745 907829113 /nfs/dbraw/zinc/82/91/13/907829113.db2.gz AWWLAFRKWMWXOX-UHFFFAOYSA-N 0 0 413.455 4.386 20 5 HIBDRN O=C(NCc1cc(Cl)ccc1OC(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498325199 907840480 /nfs/dbraw/zinc/84/04/80/907840480.db2.gz WNWNQPNRQMOAMP-UHFFFAOYSA-N 0 0 407.760 4.328 20 5 HIBDRN Cc1ccc(-c2csc3ncn(CC(=O)c4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 ZINC000498344769 907849501 /nfs/dbraw/zinc/84/95/01/907849501.db2.gz OFJUGPVGKKQLGD-UHFFFAOYSA-N 0 0 405.435 4.225 20 5 HIBDRN CC(C)(C)c1nc(CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cs1 ZINC000498384685 907872424 /nfs/dbraw/zinc/87/24/24/907872424.db2.gz VJFYXEWTHZDTCS-UHFFFAOYSA-N 0 0 416.528 4.445 20 5 HIBDRN O=C(Nc1ccccc1-c1nc[nH]n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000512856855 921359677 /nfs/dbraw/zinc/35/96/77/921359677.db2.gz SQGGABGJAIAKRU-UHFFFAOYSA-N 0 0 400.398 4.376 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498392753 907876963 /nfs/dbraw/zinc/87/69/63/907876963.db2.gz UMLRDXMOAMXVKL-HWPZZCPQSA-N 0 0 414.792 4.356 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(Nc2ccc(F)cc2)CC1 ZINC000498472713 907942174 /nfs/dbraw/zinc/94/21/74/907942174.db2.gz VABHVUZWOOCMMU-UHFFFAOYSA-N 0 0 420.872 4.216 20 5 HIBDRN COc1cccc(C2CCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000498480994 907949934 /nfs/dbraw/zinc/94/99/34/907949934.db2.gz BGZOYDPSLDQHJP-OAHLLOKOSA-N 0 0 400.500 4.490 20 5 HIBDRN COc1ccc(CS(C)(=O)=O)cc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512873910 921370930 /nfs/dbraw/zinc/37/09/30/921370930.db2.gz HJKRNPVVLSZOJY-UHFFFAOYSA-N 0 0 416.455 4.020 20 5 HIBDRN COc1ccc(F)cc1[C@@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498597574 908046919 /nfs/dbraw/zinc/04/69/19/908046919.db2.gz JMSIYMUMECIYSU-LLVKDONJSA-N 0 0 401.419 4.357 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000498653489 908092671 /nfs/dbraw/zinc/09/26/71/908092671.db2.gz INKKKKOORIQTIZ-CQSZACIVSA-N 0 0 411.845 4.480 20 5 HIBDRN COc1ccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1 ZINC000512883871 921379700 /nfs/dbraw/zinc/37/97/00/921379700.db2.gz ABJDBCWZQYVUMH-HSZRJFAPSA-N 0 0 406.438 4.196 20 5 HIBDRN CCOc1ccc(Oc2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3C)ccn2)cc1 ZINC000498733626 908163011 /nfs/dbraw/zinc/16/30/11/908163011.db2.gz JFSYQKZQEQUZSI-UHFFFAOYSA-N 0 0 407.426 4.419 20 5 HIBDRN O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000498777038 908196044 /nfs/dbraw/zinc/19/60/44/908196044.db2.gz YJRZIBQRBQBGHC-UHFFFAOYSA-N 0 0 423.406 4.488 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCOC2(CCC2)C1 ZINC000498843424 908248156 /nfs/dbraw/zinc/24/81/56/908248156.db2.gz AIDKWJWKKAPGEX-UHFFFAOYSA-N 0 0 415.877 4.255 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCOC2(CCC2)C1 ZINC000498858099 908261663 /nfs/dbraw/zinc/26/16/63/908261663.db2.gz JPVVIGCQOBYICF-UHFFFAOYSA-N 0 0 415.877 4.255 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000498859529 908262553 /nfs/dbraw/zinc/26/25/53/908262553.db2.gz NPFODUCZHCHALM-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCOC2(CCC2)C1 ZINC000498865721 908267917 /nfs/dbraw/zinc/26/79/17/908267917.db2.gz OCORQZFBZWLCTL-UHFFFAOYSA-N 0 0 402.834 4.436 20 5 HIBDRN CC(C)(C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000498879627 908278333 /nfs/dbraw/zinc/27/83/33/908278333.db2.gz ITQDSVAWPWUHFE-GOSISDBHSA-N 0 0 422.403 4.491 20 5 HIBDRN Cc1nn(CCC(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)c(C)c1[N+](=O)[O-] ZINC000512906093 921397985 /nfs/dbraw/zinc/39/79/85/921397985.db2.gz ZFPMWPLVYHWSMB-UHFFFAOYSA-N 0 0 405.867 4.214 20 5 HIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cccc(OCc2cccnc2)c1 ZINC000499028206 908404342 /nfs/dbraw/zinc/40/43/42/908404342.db2.gz FONKARVTIUZTMC-UHFFFAOYSA-N 0 0 415.409 4.211 20 5 HIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000499032657 908408070 /nfs/dbraw/zinc/40/80/70/908408070.db2.gz VPOQKEMEZURZOD-UHFFFAOYSA-N 0 0 408.805 4.076 20 5 HIBDRN CCC[C@@H]1SCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000499041488 908415555 /nfs/dbraw/zinc/41/55/55/908415555.db2.gz OCZKMTCYRDGPKX-KUHUBIRLSA-N 0 0 400.504 4.478 20 5 HIBDRN O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000499046546 908418285 /nfs/dbraw/zinc/41/82/85/908418285.db2.gz UGZSRSKPHFRECE-UHFFFAOYSA-N 0 0 411.849 4.286 20 5 HIBDRN CCCN(Cc1ccccc1Br)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000499066814 908433462 /nfs/dbraw/zinc/43/34/62/908433462.db2.gz DMNFWZLZDJXMNZ-UHFFFAOYSA-N 0 0 407.264 4.175 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1OC ZINC000499097409 908458469 /nfs/dbraw/zinc/45/84/69/908458469.db2.gz BWWPJGMCPOTIEY-LSDHHAIUSA-N 0 0 401.463 4.350 20 5 HIBDRN O=[N+]([O-])c1ccc(N[C@H](CO)c2cccc(Br)c2)c(Br)c1 ZINC000499156810 908512585 /nfs/dbraw/zinc/51/25/85/908512585.db2.gz MWIFUFQOCSAFFP-CQSZACIVSA-N 0 0 416.069 4.265 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1Cc2cc(Br)ccc2C[C@H]1C ZINC000499211414 908567116 /nfs/dbraw/zinc/56/71/16/908567116.db2.gz XUVHSVONTWZWBH-LLVKDONJSA-N 0 0 420.263 4.345 20 5 HIBDRN O=[N+]([O-])c1cc(C[NH2+]C2(c3nnn[n-]3)CCCC2)ccc1Oc1ccccc1Cl ZINC000499213557 908569828 /nfs/dbraw/zinc/56/98/28/908569828.db2.gz NJYUPWNFGUTWKD-UHFFFAOYSA-N 0 0 414.853 4.113 20 5 HIBDRN CC[C@H](NC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000499235878 908599782 /nfs/dbraw/zinc/59/97/82/908599782.db2.gz HOIOMTHHXHNQEW-INIZCTEOSA-N 0 0 422.865 4.163 20 5 HIBDRN CC(C)(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)c1ccccc1[N+](=O)[O-] ZINC000512935780 921424484 /nfs/dbraw/zinc/42/44/84/921424484.db2.gz LKMUDUPFNJOMNM-AWEZNQCLSA-N 0 0 423.238 4.024 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499272059 908647661 /nfs/dbraw/zinc/64/76/61/908647661.db2.gz GFPYQRMGSKJNTE-LJQANCHMSA-N 0 0 408.401 4.168 20 5 HIBDRN Cc1ccc(N(C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Cl ZINC000499276581 908655396 /nfs/dbraw/zinc/65/53/96/908655396.db2.gz SGQQDYFIDIWNDC-UHFFFAOYSA-N 0 0 419.684 4.144 20 5 HIBDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000512940156 921428732 /nfs/dbraw/zinc/42/87/32/921428732.db2.gz MQHLZTJMBUYJOY-UHFFFAOYSA-N 0 0 407.474 4.113 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000512947395 921431823 /nfs/dbraw/zinc/43/18/23/921431823.db2.gz JGRIFGMTJAPGII-FNLKRUPLSA-N 0 0 402.454 4.331 20 5 HIBDRN COc1cc(F)ccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000499349214 908722511 /nfs/dbraw/zinc/72/25/11/908722511.db2.gz JMZVWFWWHUJWAD-UHFFFAOYSA-N 0 0 401.316 4.202 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCC3CCSCC3)cc2[N+](=O)[O-])n1 ZINC000499368611 908736017 /nfs/dbraw/zinc/73/60/17/908736017.db2.gz BFAJHVHNZIDVJS-UHFFFAOYSA-N 0 0 409.558 4.384 20 5 HIBDRN CCc1cc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000499389851 908751538 /nfs/dbraw/zinc/75/15/38/908751538.db2.gz MBSAIWBUHBKJEV-UHFFFAOYSA-N 0 0 418.457 4.014 20 5 HIBDRN O=C(N[C@H]1CCCOc2ccccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000499419741 908784651 /nfs/dbraw/zinc/78/46/51/908784651.db2.gz FZWSSXSHHLWJSO-HNNXBMFYSA-N 0 0 410.348 4.180 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1OCCOc1ccccc1 ZINC000512961679 921439425 /nfs/dbraw/zinc/43/94/25/921439425.db2.gz TZSWDXOBMFVVOE-UHFFFAOYSA-N 0 0 420.465 4.367 20 5 HIBDRN O=C(CCc1nc(-c2cccs2)no1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000499508670 908822536 /nfs/dbraw/zinc/82/25/36/908822536.db2.gz BIYKEOSXIVSCSK-UHFFFAOYSA-N 0 0 412.349 4.296 20 5 HIBDRN COc1ccc(N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H](C)C2CC2)cc1 ZINC000499580228 908846863 /nfs/dbraw/zinc/84/68/63/908846863.db2.gz HJTLPFRBGJNIFE-OAHLLOKOSA-N 0 0 406.442 4.234 20 5 HIBDRN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(Br)c1 ZINC000499656469 908866651 /nfs/dbraw/zinc/86/66/51/908866651.db2.gz KKIACQLSXMXHDV-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000499700081 908881036 /nfs/dbraw/zinc/88/10/36/908881036.db2.gz JDBMFWLPOITRAN-UHFFFAOYSA-N 0 0 400.410 4.202 20 5 HIBDRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000499785464 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UBQGFDOGOHQCNC-UHFFFAOYSA-N 0 0 416.437 4.355 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000513000511 921467014 /nfs/dbraw/zinc/46/70/14/921467014.db2.gz ZEIBVZNAWUKVOP-ACDBMABISA-N 0 0 402.454 4.331 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000513003656 921470100 /nfs/dbraw/zinc/47/01/00/921470100.db2.gz JUOUXIPNDIGKIR-SNVBAGLBSA-N 0 0 413.327 4.367 20 5 HIBDRN CCCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H](C)c1ccccc1OC ZINC000500004908 909453164 /nfs/dbraw/zinc/45/31/64/909453164.db2.gz LMUITECOMKXDQK-CQSZACIVSA-N 0 0 402.447 4.234 20 5 HIBDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000500027794 909484144 /nfs/dbraw/zinc/48/41/44/909484144.db2.gz MEYCDLLPKDWIET-OAHLLOKOSA-N 0 0 411.502 4.351 20 5 HIBDRN O=C(CCN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500104211 909586438 /nfs/dbraw/zinc/58/64/38/909586438.db2.gz NKPNDDAGDFJKQW-SFHVURJKSA-N 0 0 423.391 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COc1ccc(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000501948976 910936455 /nfs/dbraw/zinc/93/64/55/910936455.db2.gz SRROJUNGXUDJCN-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN O=C(Cc1ccc(OCc2ccccn2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000501965999 910951286 /nfs/dbraw/zinc/95/12/86/910951286.db2.gz FZZZSELGTOSGFI-UHFFFAOYSA-N 0 0 417.465 4.303 20 5 HIBDRN Cc1noc(C)c1[C@@H](C)CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000502059902 911007841 /nfs/dbraw/zinc/00/78/41/911007841.db2.gz BILBYKCRJIKSBT-VIFPVBQESA-N 0 0 417.409 4.230 20 5 HIBDRN Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000502070471 911016727 /nfs/dbraw/zinc/01/67/27/911016727.db2.gz ZJHMPPKQFWOJPM-RBSFLKMASA-N 0 0 414.506 4.215 20 5 HIBDRN CCOc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1[N+](=O)[O-] ZINC000502100760 911037548 /nfs/dbraw/zinc/03/75/48/911037548.db2.gz POGVUHRCFBMLOJ-AWEZNQCLSA-N 0 0 413.405 4.294 20 5 HIBDRN CN(Cc1nccn1C(F)F)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000502099527 911037717 /nfs/dbraw/zinc/03/77/17/911037717.db2.gz RLLZNGZTKRZBDQ-UHFFFAOYSA-N 0 0 412.194 4.134 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000502116760 911045542 /nfs/dbraw/zinc/04/55/42/911045542.db2.gz DFGQPGOAJKPABN-ZDUSSCGKSA-N 0 0 415.446 4.373 20 5 HIBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000502122583 911049039 /nfs/dbraw/zinc/04/90/39/911049039.db2.gz LBWGBFPHMZQAOD-LBPRGKRZSA-N 0 0 408.389 4.376 20 5 HIBDRN Cc1cc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)ccc1[N+](=O)[O-] ZINC000502123670 911050442 /nfs/dbraw/zinc/05/04/42/911050442.db2.gz OIRDXMCXSPMCAD-UHFFFAOYSA-N 0 0 406.394 4.463 20 5 HIBDRN CCn1c2ccccc2c2cc(NC(=O)Cn3cc(Cl)cc([N+](=O)[O-])c3=O)ccc21 ZINC000502136840 911061333 /nfs/dbraw/zinc/06/13/33/911061333.db2.gz UZLOXLMDOLJGIE-UHFFFAOYSA-N 0 0 424.844 4.176 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000502288440 911241512 /nfs/dbraw/zinc/24/15/12/911241512.db2.gz UVBAQHAPGWKMDC-UHFFFAOYSA-N 0 0 423.425 4.119 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000502311948 911279936 /nfs/dbraw/zinc/27/99/36/911279936.db2.gz VYGUUTBMUVAHRL-GOSISDBHSA-N 0 0 418.490 4.209 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1 ZINC000502336356 911317596 /nfs/dbraw/zinc/31/75/96/911317596.db2.gz RZCRQTKYOHWUQI-UHFFFAOYSA-N 0 0 406.479 4.399 20 5 HIBDRN Cc1nc(-c2ccc([C@@H](C)NS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000502377192 911364530 /nfs/dbraw/zinc/36/45/30/911364530.db2.gz IBCPVZNTFMIRQC-CYBMUJFWSA-N 0 0 417.512 4.207 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(Cc1csc(Br)c1)C1CC1 ZINC000502416730 911397579 /nfs/dbraw/zinc/39/75/79/911397579.db2.gz PSCPYYWTEARRFP-UHFFFAOYSA-N 0 0 421.276 4.100 20 5 HIBDRN CC(C)c1nc2ccc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000502469401 911459940 /nfs/dbraw/zinc/45/99/40/911459940.db2.gz IXFZEQIWKLPPSG-LBPRGKRZSA-N 0 0 412.471 4.085 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502482694 911479254 /nfs/dbraw/zinc/47/92/54/911479254.db2.gz SINRWYOALQWEBB-UHFFFAOYSA-N 0 0 403.801 4.203 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3c(cccc3F)[nH]2)cc1 ZINC000502495091 911495442 /nfs/dbraw/zinc/49/54/42/911495442.db2.gz LYNMIGROEBAPSF-UHFFFAOYSA-N 0 0 406.373 4.295 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C)c(C(=O)OCC)s1 ZINC000502504382 911507612 /nfs/dbraw/zinc/50/76/12/911507612.db2.gz YRRYVBXSOMUMEC-UHFFFAOYSA-N 0 0 409.489 4.291 20 5 HIBDRN CCCc1nc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccccc1Cl ZINC000502506725 911511170 /nfs/dbraw/zinc/51/11/70/911511170.db2.gz HSVZNCBFTUOEHS-ZDUSSCGKSA-N 0 0 413.865 4.272 20 5 HIBDRN COc1ccc(CNC(=O)N(C)[C@H](C)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000502529018 911532413 /nfs/dbraw/zinc/53/24/13/911532413.db2.gz MDPGPJGBNGDAKL-GFCCVEGCSA-N 0 0 422.279 4.269 20 5 HIBDRN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000502635075 911664625 /nfs/dbraw/zinc/66/46/25/911664625.db2.gz OKQPZWUOECBXDW-OAHLLOKOSA-N 0 0 423.372 4.398 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000502707218 911740040 /nfs/dbraw/zinc/74/00/40/911740040.db2.gz KVJJDXMCCOCFOP-INIZCTEOSA-N 0 0 421.453 4.377 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000502713903 911747138 /nfs/dbraw/zinc/74/71/38/911747138.db2.gz UENIKNXRHKNICG-UHFFFAOYSA-N 0 0 410.499 4.272 20 5 HIBDRN COc1ccc(Br)c(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC000502784647 911808376 /nfs/dbraw/zinc/80/83/76/911808376.db2.gz ONTHIKSKHJLALH-UHFFFAOYSA-N 0 0 411.277 4.018 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1cccc(Cl)c1 ZINC000502833520 911845513 /nfs/dbraw/zinc/84/55/13/911845513.db2.gz RFVJDRKIBCHFGX-UHFFFAOYSA-N 0 0 421.906 4.461 20 5 HIBDRN Cc1cc2cccnc2c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000513299581 921696395 /nfs/dbraw/zinc/69/63/95/921696395.db2.gz XUPOIVBWQOOTRP-FQEVSTJZSA-N 0 0 418.453 4.003 20 5 HIBDRN Cc1ccnn1-c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000502865824 911872360 /nfs/dbraw/zinc/87/23/60/911872360.db2.gz HDFLVGYEQKTRNS-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN Cc1cc(F)cc([C@@]2(F)CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000502902363 911891643 /nfs/dbraw/zinc/89/16/43/911891643.db2.gz HRBZOCMCMWYCAM-HXUWFJFHSA-N 0 0 400.385 4.163 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C1CC1 ZINC000513305611 921701773 /nfs/dbraw/zinc/70/17/73/921701773.db2.gz WOCROCBPARVTDZ-GFCCVEGCSA-N 0 0 422.890 4.018 20 5 HIBDRN CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1F ZINC000502936359 911923425 /nfs/dbraw/zinc/92/34/25/911923425.db2.gz QYWKOKQLSUPMCK-UHFFFAOYSA-N 0 0 414.174 4.153 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(CCC(F)(F)F)cc1 ZINC000503026895 911998725 /nfs/dbraw/zinc/99/87/25/911998725.db2.gz HYJPVHVIKJILTF-UHFFFAOYSA-N 0 0 405.336 4.127 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000503062881 912027885 /nfs/dbraw/zinc/02/78/85/912027885.db2.gz SPQAOPHLKYVSSC-UHFFFAOYSA-N 0 0 423.441 4.086 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000503068395 912034127 /nfs/dbraw/zinc/03/41/27/912034127.db2.gz XTYHKGPXTJXKSX-GOSISDBHSA-N 0 0 413.499 4.022 20 5 HIBDRN CCCCCn1cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)n1 ZINC000503119916 912083463 /nfs/dbraw/zinc/08/34/63/912083463.db2.gz QEQBQXDHZGOAOU-CQSZACIVSA-N 0 0 408.886 4.027 20 5 HIBDRN Cc1sc(C(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000503149899 912116818 /nfs/dbraw/zinc/11/68/18/912116818.db2.gz RGKYMNJXNDWAFM-IBGZPJMESA-N 0 0 406.467 4.371 20 5 HIBDRN CCCOc1cc(NC(=O)N[C@@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCCC ZINC000506287966 914885844 /nfs/dbraw/zinc/88/58/44/914885844.db2.gz ZSFAOZSPFROIFD-GJZGRUSLSA-N 0 0 409.483 4.109 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000506290888 914888130 /nfs/dbraw/zinc/88/81/30/914888130.db2.gz DFPPOBVENHOZOT-QGZVFWFLSA-N 0 0 417.334 4.403 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000506290880 914888167 /nfs/dbraw/zinc/88/81/67/914888167.db2.gz DFPPOBVENHOZOT-KRWDZBQOSA-N 0 0 417.334 4.403 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000506320379 914920159 /nfs/dbraw/zinc/92/01/59/914920159.db2.gz GCYOPKNMDFUXMH-UHFFFAOYSA-N 0 0 413.213 4.339 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000506443943 915045990 /nfs/dbraw/zinc/04/59/90/915045990.db2.gz FBGDFFADPALESU-UHFFFAOYSA-N 0 0 409.421 4.081 20 5 HIBDRN CC(C)(C)C[C@H](NC(=O)COc1c(Cl)cncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000506446265 915046936 /nfs/dbraw/zinc/04/69/36/915046936.db2.gz UESCAUJMKDCNCW-HNNXBMFYSA-N 0 0 409.845 4.455 20 5 HIBDRN CCOC(=O)c1c(C)c2ccccc2nc1COc1c(Cl)cncc1[N+](=O)[O-] ZINC000506555834 915200577 /nfs/dbraw/zinc/20/05/77/915200577.db2.gz QXQHGYIBSNTVLX-UHFFFAOYSA-N 0 0 401.806 4.256 20 5 HIBDRN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000506623386 915282028 /nfs/dbraw/zinc/28/20/28/915282028.db2.gz JUPHHHFZIOIENJ-UHFFFAOYSA-N 0 0 400.385 4.362 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc(Cl)c1F ZINC000506689423 915367547 /nfs/dbraw/zinc/36/75/47/915367547.db2.gz KYMFEMNEEOSVFO-UHFFFAOYSA-N 0 0 420.702 4.445 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CCC(c4nnc5ccccn54)CC3)cs2)c1 ZINC000506725320 915407759 /nfs/dbraw/zinc/40/77/59/915407759.db2.gz GHHAPNOGZZPWOL-UHFFFAOYSA-N 0 0 420.498 4.141 20 5 HIBDRN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000506758461 915456838 /nfs/dbraw/zinc/45/68/38/915456838.db2.gz MBFPSYOGAHTKOG-UHFFFAOYSA-N 0 0 411.439 4.456 20 5 HIBDRN C[C@@H](Cc1ccc(Br)cc1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000506822368 915586999 /nfs/dbraw/zinc/58/69/99/915586999.db2.gz RRJCFZZKSTZVKH-NSHDSACASA-N 0 0 404.264 4.285 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000506841420 915620100 /nfs/dbraw/zinc/62/01/00/915620100.db2.gz XLYQXQOXYIYDSV-UHFFFAOYSA-N 0 0 405.458 4.018 20 5 HIBDRN Cc1c(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)cccc1[N+](=O)[O-] ZINC000506978233 915784751 /nfs/dbraw/zinc/78/47/51/915784751.db2.gz BZYFMEDOOWOWKD-UHFFFAOYSA-N 0 0 407.249 4.370 20 5 HIBDRN CCc1cccc2c1OCC[C@@H]2NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000506992499 915806588 /nfs/dbraw/zinc/80/65/88/915806588.db2.gz YEEVQNRTUSRBMW-LRDDRELGSA-N 0 0 404.850 4.218 20 5 HIBDRN COc1ccc(-c2noc(CSCc3c(F)cc([N+](=O)[O-])cc3F)n2)c(OC)c1 ZINC000507082370 915858542 /nfs/dbraw/zinc/85/85/42/915858542.db2.gz CJHFTAIRXTUOEV-UHFFFAOYSA-N 0 0 423.397 4.374 20 5 HIBDRN CN(Cc1nc(-c2ccc(Br)cc2)c[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000507166144 915906212 /nfs/dbraw/zinc/90/62/12/915906212.db2.gz CZYQRPOIMJFKSS-UHFFFAOYSA-N 0 0 401.264 4.379 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000507307147 916069071 /nfs/dbraw/zinc/06/90/71/916069071.db2.gz WRACOHVYGGIFJT-GOSISDBHSA-N 0 0 402.472 4.016 20 5 HIBDRN Cn1cc(CN2CCn3cccc3[C@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507344061 916097542 /nfs/dbraw/zinc/09/75/42/916097542.db2.gz ZQRZEMMLJZFVPJ-XMMPIXPASA-N 0 0 413.481 4.402 20 5 HIBDRN CCOc1cccc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000507344039 916098341 /nfs/dbraw/zinc/09/83/41/916098341.db2.gz ZIXRIJSPWRIPHJ-INIZCTEOSA-N 0 0 420.469 4.492 20 5 HIBDRN O=C(N[C@@H](c1nccs1)C(F)(F)F)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000507547994 916304465 /nfs/dbraw/zinc/30/44/65/916304465.db2.gz JDMPRFQQZMKPQD-INIZCTEOSA-N 0 0 403.385 4.171 20 5 HIBDRN O=C(N[C@H](c1nccs1)C(F)(F)F)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000507547997 916304914 /nfs/dbraw/zinc/30/49/14/916304914.db2.gz JDMPRFQQZMKPQD-MRXNPFEDSA-N 0 0 403.385 4.171 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccn1 ZINC000507603196 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O=C(NCCc1ccc(OCc2ccccc2)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000515747676 923321026 /nfs/dbraw/zinc/32/10/26/923321026.db2.gz XZQXASNUZSEWNC-UHFFFAOYSA-N 0 0 405.454 4.216 20 5 HIBDRN CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000515756571 923329359 /nfs/dbraw/zinc/32/93/59/923329359.db2.gz MELCDFZIMSQCMM-UHFFFAOYSA-N 0 0 419.286 4.121 20 5 HIBDRN COc1cccc(Oc2ccc(CNC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cn2)c1 ZINC000515783723 923347684 /nfs/dbraw/zinc/34/76/84/923347684.db2.gz ZNXIHVMRLSJTKA-HNNXBMFYSA-N 0 0 422.441 4.351 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3-n3cccn3)cc2[N+](=O)[O-])C1 ZINC000515818607 923371512 /nfs/dbraw/zinc/37/15/12/923371512.db2.gz PIIMDVHNEAJPMU-INIZCTEOSA-N 0 0 405.458 4.269 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000515871096 923402252 /nfs/dbraw/zinc/40/22/52/923402252.db2.gz GEMYAEFPUMIAFK-XCLFUZPHSA-N 0 0 414.483 4.114 20 5 HIBDRN COc1ccc(CCCNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000515871802 923403873 /nfs/dbraw/zinc/40/38/73/923403873.db2.gz YJSHCIUPRBQQHD-UHFFFAOYSA-N 0 0 411.502 4.202 20 5 HIBDRN COc1cc(CN(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000515908288 923424756 /nfs/dbraw/zinc/42/47/56/923424756.db2.gz JCMVIHDRLQGOQS-LBPRGKRZSA-N 0 0 409.389 4.107 20 5 HIBDRN O=C(c1ccsc1)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000515930940 923445660 /nfs/dbraw/zinc/44/56/60/923445660.db2.gz NIXAQGRNHMKLJC-UHFFFAOYSA-N 0 0 401.491 4.048 20 5 HIBDRN COc1cc(Cc2noc(-c3cc4ccc(F)cc4nc3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000515977706 923474814 /nfs/dbraw/zinc/47/48/14/923474814.db2.gz UCKPCPIOGLJTRL-UHFFFAOYSA-N 0 0 424.388 4.249 20 5 HIBDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000516032257 923510480 /nfs/dbraw/zinc/51/04/80/923510480.db2.gz MJEFJMHWGBKMQC-UHFFFAOYSA-N 0 0 406.486 4.498 20 5 HIBDRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000516256617 923631238 /nfs/dbraw/zinc/63/12/38/923631238.db2.gz MRARYSXNDOTGCR-ZDUSSCGKSA-N 0 0 406.280 4.178 20 5 HIBDRN C[C@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000516363080 923690373 /nfs/dbraw/zinc/69/03/73/923690373.db2.gz HVXSLPKBYXHRSE-SJCJKPOMSA-N 0 0 424.238 4.166 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000516414266 923719144 /nfs/dbraw/zinc/71/91/44/923719144.db2.gz ODLCVUDPPKWEEE-UHFFFAOYSA-N 0 0 421.906 4.417 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000516439903 923735278 /nfs/dbraw/zinc/73/52/78/923735278.db2.gz BPTPVYMOAJJNCE-OAQYLSRUSA-N 0 0 403.438 4.024 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2ccc3ccccc3c2)C2CC2)s1 ZINC000516507057 923767455 /nfs/dbraw/zinc/76/74/55/923767455.db2.gz MYZMPQYKPOAQKW-UHFFFAOYSA-N 0 0 402.497 4.382 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000516621970 923820834 /nfs/dbraw/zinc/82/08/34/923820834.db2.gz HHDZFQMJZCYOGX-UHFFFAOYSA-N 0 0 400.435 4.145 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000516692937 923848470 /nfs/dbraw/zinc/84/84/70/923848470.db2.gz BPGRTAHPYYGHDL-UHFFFAOYSA-N 0 0 409.833 4.092 20 5 HIBDRN CCCc1nc(C)c(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)o1 ZINC000516962236 923948018 /nfs/dbraw/zinc/94/80/18/923948018.db2.gz UMTCIIWBWLYNQI-HUUCEWRRSA-N 0 0 414.506 4.256 20 5 HIBDRN COc1cc(Cl)c(Cl)cc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000517022917 923968037 /nfs/dbraw/zinc/96/80/37/923968037.db2.gz JUXCLDLPMKVNKZ-UHFFFAOYSA-N 0 0 412.229 4.337 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000517087642 923990279 /nfs/dbraw/zinc/99/02/79/923990279.db2.gz MCKUZGCQLMIXNQ-UHFFFAOYSA-N 0 0 424.906 4.390 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000517124831 924012354 /nfs/dbraw/zinc/01/23/54/924012354.db2.gz HCYNWUDEZRPFIJ-UHFFFAOYSA-N 0 0 407.879 4.109 20 5 HIBDRN O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4ccnc(N5CCCC5)c4)no3)cc21 ZINC000517200788 924048818 /nfs/dbraw/zinc/04/88/18/924048818.db2.gz ANEPZDSGHGZBPQ-UHFFFAOYSA-N 0 0 409.449 4.394 20 5 HIBDRN CN(C)C(=O)c1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1Cl ZINC000517203601 924051261 /nfs/dbraw/zinc/05/12/61/924051261.db2.gz XTUQMJIPAXUNFR-UHFFFAOYSA-N 0 0 415.755 4.221 20 5 HIBDRN CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000517256759 924064357 /nfs/dbraw/zinc/06/43/57/924064357.db2.gz JFMYDCIBPDJYRW-UHFFFAOYSA-N 0 0 409.355 4.452 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000517288496 924078746 /nfs/dbraw/zinc/07/87/46/924078746.db2.gz QOZVAGDNANKLDX-UHFFFAOYSA-N 0 0 424.284 4.243 20 5 HIBDRN Cc1c(C(=O)N2CCC[C@H]2c2ccccc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000517437155 924186714 /nfs/dbraw/zinc/18/67/14/924186714.db2.gz DHWKKGCXUUENNB-SFHVURJKSA-N 0 0 411.849 4.115 20 5 HIBDRN CC(C)CCc1ccccc1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517453235 924201308 /nfs/dbraw/zinc/20/13/08/924201308.db2.gz QMAWFVQALLMDJV-UHFFFAOYSA-N 0 0 403.866 4.205 20 5 HIBDRN CC(C)c1cccc(N(C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000517483824 924223042 /nfs/dbraw/zinc/22/30/42/924223042.db2.gz DWEPYODNVLPNTB-UHFFFAOYSA-N 0 0 413.293 4.306 20 5 HIBDRN O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1cc2ccccc2c2cccnc12 ZINC000517511785 924239429 /nfs/dbraw/zinc/23/94/29/924239429.db2.gz RLSWUAPHPXNVDK-UHFFFAOYSA-N 0 0 401.510 4.299 20 5 HIBDRN Cc1nn(Cc2ccc(-c3nc(COc4ccccc4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000517609346 926717427 /nfs/dbraw/zinc/71/74/27/926717427.db2.gz FMISGOUVRBJDIG-UHFFFAOYSA-N 0 0 405.414 4.085 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000517638766 926746700 /nfs/dbraw/zinc/74/67/00/926746700.db2.gz ABIKLTXYNZXSFC-MRXNPFEDSA-N 0 0 410.449 4.032 20 5 HIBDRN Cc1nn(C)c(C(=O)N[C@@H](c2ccccc2)c2cccc3ccccc32)c1[N+](=O)[O-] ZINC000517676633 926782283 /nfs/dbraw/zinc/78/22/83/926782283.db2.gz MTLIHEHFCWSTFH-FQEVSTJZSA-N 0 0 400.438 4.309 20 5 HIBDRN CCc1cccc2c(CCNC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)c[nH]c21 ZINC000517678146 926783190 /nfs/dbraw/zinc/78/31/90/926783190.db2.gz YAOBDWHQKSUMLB-UHFFFAOYSA-N 0 0 420.513 4.214 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccc(C)cc2)cc1 ZINC000517782646 926833727 /nfs/dbraw/zinc/83/37/27/926833727.db2.gz BCLYQFODYPOISU-JOCHJYFZSA-N 0 0 420.421 4.160 20 5 HIBDRN O=C(CSc1ncccc1[N+](=O)[O-])N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000517805822 926845285 /nfs/dbraw/zinc/84/52/85/926845285.db2.gz DXPQKTFXXQVTLF-QGZVFWFLSA-N 0 0 403.460 4.188 20 5 HIBDRN CCCCOc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000517809040 926846002 /nfs/dbraw/zinc/84/60/02/926846002.db2.gz XCOMLFKNUSMBNH-UHFFFAOYSA-N 0 0 410.430 4.220 20 5 HIBDRN CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000517859337 926866380 /nfs/dbraw/zinc/86/63/80/926866380.db2.gz BHXVTMISJAGLEZ-UHFFFAOYSA-N 0 0 422.485 4.231 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000517991462 926934196 /nfs/dbraw/zinc/93/41/96/926934196.db2.gz UFLKWQUMJMQMJR-GOSISDBHSA-N 0 0 414.527 4.318 20 5 HIBDRN C[C@H](Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000518012996 926951353 /nfs/dbraw/zinc/95/13/53/926951353.db2.gz CBVDSTOFUXDFKK-GUYCJALGSA-N 0 0 419.865 4.245 20 5 HIBDRN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000518246115 927105077 /nfs/dbraw/zinc/10/50/77/927105077.db2.gz VXADCFTZNKAJLB-UHFFFAOYSA-N 0 0 419.372 4.359 20 5 HIBDRN Cc1ccc(CNC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)s1 ZINC000518266547 927123906 /nfs/dbraw/zinc/12/39/06/927123906.db2.gz RBMMJHFQGFHMKT-UHFFFAOYSA-N 0 0 423.494 4.192 20 5 HIBDRN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518285452 927143165 /nfs/dbraw/zinc/14/31/65/927143165.db2.gz MNONJHUHTIRDCL-UHFFFAOYSA-N 0 0 408.411 4.269 20 5 HIBDRN O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000518319452 927184012 /nfs/dbraw/zinc/18/40/12/927184012.db2.gz JZYVBRLYKWFWQA-UHFFFAOYSA-N 0 0 416.437 4.437 20 5 HIBDRN COc1ccc(Cc2nc(-c3ccc(OCc4cccnc4)cc3)no2)cc1[N+](=O)[O-] ZINC000518344270 927210684 /nfs/dbraw/zinc/21/06/84/927210684.db2.gz HTTBSUXRGPQLJH-UHFFFAOYSA-N 0 0 418.409 4.218 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000518349707 927213912 /nfs/dbraw/zinc/21/39/12/927213912.db2.gz FRMIUIBDSDWOMW-INIZCTEOSA-N 0 0 415.490 4.211 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000518376449 927228847 /nfs/dbraw/zinc/22/88/47/927228847.db2.gz ZVSZURCWRWJLRJ-GFCCVEGCSA-N 0 0 414.270 4.206 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000518557522 927345182 /nfs/dbraw/zinc/34/51/82/927345182.db2.gz IOSSLFXIFWWWAU-UHFFFAOYSA-N 0 0 401.850 4.056 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000518566325 927348586 /nfs/dbraw/zinc/34/85/86/927348586.db2.gz JWAMCJVKVSJPKF-QGZVFWFLSA-N 0 0 413.232 4.183 20 5 HIBDRN Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000518581622 927361357 /nfs/dbraw/zinc/36/13/57/927361357.db2.gz HGFJKIFDQUVDOO-VIFPVBQESA-N 0 0 400.407 4.494 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000518618857 927382700 /nfs/dbraw/zinc/38/27/00/927382700.db2.gz RHRFYMUJWFYPAP-HNNXBMFYSA-N 0 0 411.483 4.380 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc1[N+](=O)[O-] ZINC000518651750 927404819 /nfs/dbraw/zinc/40/48/19/927404819.db2.gz DOKOMQHYKPYEFZ-UHFFFAOYSA-N 0 0 408.462 4.157 20 5 HIBDRN COc1ccc2cc(CN(C)S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2c1 ZINC000518661006 927412980 /nfs/dbraw/zinc/41/29/80/927412980.db2.gz NYKTYLGIHLJOIL-UHFFFAOYSA-N 0 0 420.874 4.231 20 5 HIBDRN Cc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000518687835 927433288 /nfs/dbraw/zinc/43/32/88/927433288.db2.gz HCLJFXQFIWEVEG-UHFFFAOYSA-N 0 0 404.419 4.339 20 5 HIBDRN COc1cc(/C=C\c2nc3c(F)cccc3c(=O)o2)c([N+](=O)[O-])cc1OCC(F)F ZINC000518743422 927470748 /nfs/dbraw/zinc/47/07/48/927470748.db2.gz DOEOAXZAYSNPCC-WAYWQWQTSA-N 0 0 422.315 4.058 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cnc(C(C)(C)C)nc3)cc2[N+](=O)[O-])C1 ZINC000518776346 927488906 /nfs/dbraw/zinc/48/89/06/927488906.db2.gz VTDIUAPQNADHEH-HUUCEWRRSA-N 0 0 411.506 4.417 20 5 HIBDRN COc1ccc2oc([C@H](C)NC(=O)NCCOc3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000518827907 927525192 /nfs/dbraw/zinc/52/51/92/927525192.db2.gz WRPFANGXUMIDRO-AWEZNQCLSA-N 0 0 413.430 4.097 20 5 HIBDRN CC(C)COc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518856985 927562488 /nfs/dbraw/zinc/56/24/88/927562488.db2.gz BALJRBAYWYHGMR-CQSZACIVSA-N 0 0 406.866 4.367 20 5 HIBDRN COc1ccc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1OC ZINC000518868695 927577956 /nfs/dbraw/zinc/57/79/56/927577956.db2.gz AJCUWOMMURGPTI-UHFFFAOYSA-N 0 0 410.411 4.453 20 5 HIBDRN Cc1cc(-c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)ccc1F ZINC000518872085 927581127 /nfs/dbraw/zinc/58/11/27/927581127.db2.gz GFBCYSNGVPDPSJ-UHFFFAOYSA-N 0 0 412.406 4.039 20 5 HIBDRN Cc1cc(NC(=O)Cc2ccccc2C(F)(F)F)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000518902857 927614517 /nfs/dbraw/zinc/61/45/17/927614517.db2.gz HNLHTZYHWKJEJY-UHFFFAOYSA-N 0 0 404.348 4.289 20 5 HIBDRN CC(C)NC(=O)c1ccc(N2CCC(CN3CCc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000518927570 927635114 /nfs/dbraw/zinc/63/51/14/927635114.db2.gz RSCPXVUKJWTNTC-UHFFFAOYSA-N 0 0 422.529 4.012 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)c1 ZINC000519003386 927685067 /nfs/dbraw/zinc/68/50/67/927685067.db2.gz KJTIFWJJIVMXIE-UHFFFAOYSA-N 0 0 411.336 4.223 20 5 HIBDRN COc1cc(OCC(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000519017075 927696484 /nfs/dbraw/zinc/69/64/84/927696484.db2.gz DBTNQDPYWBDGPG-GFCCVEGCSA-N 0 0 412.364 4.221 20 5 HIBDRN Cc1c(NC(=O)C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000519044758 927721444 /nfs/dbraw/zinc/72/14/44/927721444.db2.gz PLBUNOLUMBDPIQ-HXUWFJFHSA-N 0 0 415.449 4.016 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1nc(C)cs1 ZINC000519121571 927787977 /nfs/dbraw/zinc/78/79/77/927787977.db2.gz HLMSIWWQZOAUBC-QGZVFWFLSA-N 0 0 413.503 4.102 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(C(=O)N2CCCC[C@H]2C)cc1C ZINC000519169580 927809856 /nfs/dbraw/zinc/80/98/56/927809856.db2.gz PUPRALWVFCOECU-QGZVFWFLSA-N 0 0 424.501 4.277 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2ccc(CNC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000519179761 927813907 /nfs/dbraw/zinc/81/39/07/927813907.db2.gz OPTNCLYUVZUXRL-UHFFFAOYSA-N 0 0 416.503 4.154 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000519571001 928019613 /nfs/dbraw/zinc/01/96/13/928019613.db2.gz OFTSURCAULPPAU-UHFFFAOYSA-N 0 0 417.465 4.421 20 5 HIBDRN CC(=O)c1cc(N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)ccc1[N+](=O)[O-] ZINC000519842454 928091471 /nfs/dbraw/zinc/09/14/71/928091471.db2.gz MPIRGEJXTTWYMQ-OAHLLOKOSA-N 0 0 407.348 4.034 20 5 HIBDRN COc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 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COc1cc(OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000526003039 930505344 /nfs/dbraw/zinc/50/53/44/930505344.db2.gz KMEDAQPMPAZUMQ-JOCHJYFZSA-N 0 0 424.478 4.218 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000526069490 930519346 /nfs/dbraw/zinc/51/93/46/930519346.db2.gz DMJWOKHWIJTVKR-UHFFFAOYSA-N 0 0 418.375 4.135 20 5 HIBDRN O=C(c1cc(O)ccc1C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000526998766 930563693 /nfs/dbraw/zinc/56/36/93/930563693.db2.gz AAEHTAMVYZBFGH-UHFFFAOYSA-N 0 0 410.348 4.003 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000527017712 930568796 /nfs/dbraw/zinc/56/87/96/930568796.db2.gz WUEWNGJJTHWQME-UHFFFAOYSA-N 0 0 420.246 4.196 20 5 HIBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCc2cc(Br)cc(F)c2C1 ZINC000527030137 930571657 /nfs/dbraw/zinc/57/16/57/930571657.db2.gz UTSIBYRCHIAONS-UHFFFAOYSA-N 0 0 418.222 4.176 20 5 HIBDRN Cc1nc(-c2ccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)s2)cs1 ZINC000527044937 930575092 /nfs/dbraw/zinc/57/50/92/930575092.db2.gz ROZJPYUPGWUWFQ-UHFFFAOYSA-N 0 0 409.514 4.104 20 5 HIBDRN C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000527265090 930622758 /nfs/dbraw/zinc/62/27/58/930622758.db2.gz DDKJQYRQYFTGAG-JUCITSJASA-N 0 0 422.890 4.022 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(=O)OC)c2ccccc21 ZINC000530396308 930701182 /nfs/dbraw/zinc/70/11/82/930701182.db2.gz UIDJMVDPIFCBOY-KRWDZBQOSA-N 0 0 414.483 4.404 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000530405963 930702643 /nfs/dbraw/zinc/70/26/43/930702643.db2.gz OJUDRAZZPZIYJU-FQEVSTJZSA-N 0 0 408.433 4.420 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(C)(C)C)CC1 ZINC000530467878 930720316 /nfs/dbraw/zinc/72/03/16/930720316.db2.gz DJWYRLXLXHCSAV-UHFFFAOYSA-N 0 0 408.520 4.148 20 5 HIBDRN COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c2ccccc21 ZINC000530500561 930726530 /nfs/dbraw/zinc/72/65/30/930726530.db2.gz GNHJKNAIJIEPEF-LJQANCHMSA-N 0 0 418.405 4.304 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cccc4c3OC(C)(C)C4)cc2)c(C)c1[N+](=O)[O-] ZINC000530501457 930727732 /nfs/dbraw/zinc/72/77/32/930727732.db2.gz IQHFGBBMEFWQAA-UHFFFAOYSA-N 0 0 420.469 4.422 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]c(CSc3nnc(NCCc4ccccc4)s3)nc2c1 ZINC000530546425 930743316 /nfs/dbraw/zinc/74/33/16/930743316.db2.gz AJIQLUUIBJWAHS-UHFFFAOYSA-N 0 0 412.500 4.270 20 5 HIBDRN COc1ccc(CC(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000530580651 930756868 /nfs/dbraw/zinc/75/68/68/930756868.db2.gz YGYXHTHBLJDWLA-CYBMUJFWSA-N 0 0 410.392 4.475 20 5 HIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000530581916 930758037 /nfs/dbraw/zinc/75/80/37/930758037.db2.gz TUUBBNAZDLICSE-UHFFFAOYSA-N 0 0 405.336 4.343 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCCCc1ccc(Br)cc1F ZINC000530786102 930823078 /nfs/dbraw/zinc/82/30/78/930823078.db2.gz RJZBLKMHZLUJMV-UHFFFAOYSA-N 0 0 409.255 4.178 20 5 HIBDRN CCOc1ccccc1[C@H](CC(C)C)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000530825514 930832785 /nfs/dbraw/zinc/83/27/85/930832785.db2.gz INKIOSVXZZHDNZ-SFHVURJKSA-N 0 0 400.475 4.448 20 5 HIBDRN C[C@@H]1c2c(F)cccc2CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000531028823 930890059 /nfs/dbraw/zinc/89/00/59/930890059.db2.gz HLDDQKALUSHAOZ-LLVKDONJSA-N 0 0 407.239 4.185 20 5 HIBDRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000531041618 930894293 /nfs/dbraw/zinc/89/42/93/930894293.db2.gz DSHJSDYCAYAFRQ-UHFFFAOYSA-N 0 0 411.458 4.069 20 5 HIBDRN C[C@@H](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(C(F)(F)F)c1 ZINC000531057775 930900388 /nfs/dbraw/zinc/90/03/88/930900388.db2.gz IZSVWQZCAVLLBE-NSHDSACASA-N 0 0 410.348 4.266 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)CN(Cc2cccnc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000531225326 930974134 /nfs/dbraw/zinc/97/41/34/930974134.db2.gz OBVSLSLMOCGYMK-SFHVURJKSA-N 0 0 404.470 4.182 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000531291298 931004294 /nfs/dbraw/zinc/00/42/94/931004294.db2.gz HDHZWZUMALFGSV-MRXNPFEDSA-N 0 0 407.430 4.365 20 5 HIBDRN O=C(NCc1cccc(Cn2cnc3ccccc32)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000531930375 931250198 /nfs/dbraw/zinc/25/01/98/931250198.db2.gz BZLXZVWAUHPBNR-UHFFFAOYSA-N 0 0 401.426 4.315 20 5 HIBDRN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000532087383 931307374 /nfs/dbraw/zinc/30/73/74/931307374.db2.gz KKTAGRUZAOOVNU-MRXNPFEDSA-N 0 0 402.756 4.389 20 5 HIBDRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c1)CO2 ZINC000532170155 931335561 /nfs/dbraw/zinc/33/55/61/931335561.db2.gz NVEWYSXIBHPUFP-MGPUTAFESA-N 0 0 418.453 4.335 20 5 HIBDRN COc1cc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1O ZINC000532261853 931374705 /nfs/dbraw/zinc/37/47/05/931374705.db2.gz QJAJOYXPZVEAHQ-UHFFFAOYSA-N 0 0 410.451 4.390 20 5 HIBDRN CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397837 931422469 /nfs/dbraw/zinc/42/24/69/931422469.db2.gz BUZMFIJCSWOJDT-UHFFFAOYSA-N 0 0 419.466 4.176 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1Br)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000532430381 931431419 /nfs/dbraw/zinc/43/14/19/931431419.db2.gz AMNIIQGHBXXBBD-UHFFFAOYSA-N 0 0 413.611 4.034 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000532579562 931539615 /nfs/dbraw/zinc/53/96/15/931539615.db2.gz GQFUUZVDGGQOKO-PJIJBLCYSA-N 0 0 412.421 4.307 20 5 HIBDRN COc1ccccc1[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000532587459 931545142 /nfs/dbraw/zinc/54/51/42/931545142.db2.gz ZXKZEFRYUCATKD-ZIAGYGMSSA-N 0 0 403.866 4.073 20 5 HIBDRN CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000532615962 931555088 /nfs/dbraw/zinc/55/50/88/931555088.db2.gz OUNIATAPNCWKMI-UHFFFAOYSA-N 0 0 402.394 4.446 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N2CCc3cccc(Br)c3C2)cccc1[N+](=O)[O-] ZINC000532646290 931566076 /nfs/dbraw/zinc/56/60/76/931566076.db2.gz HHVRLTJZCGCESB-CYBMUJFWSA-N 0 0 418.291 4.051 20 5 HIBDRN COc1ccc(-c2nc(Cc3noc(Cc4cccc([N+](=O)[O-])c4C)n3)co2)cc1 ZINC000532673522 931578622 /nfs/dbraw/zinc/57/86/22/931578622.db2.gz DGXNSUSABLYMJD-UHFFFAOYSA-N 0 0 406.398 4.131 20 5 HIBDRN COc1ccc(C(=O)N(C)C)cc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000532724426 931609522 /nfs/dbraw/zinc/60/95/22/931609522.db2.gz FUWSOSYZPCHFLT-UHFFFAOYSA-N 0 0 412.471 4.041 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC000532729997 931614341 /nfs/dbraw/zinc/61/43/41/931614341.db2.gz RRYVDJCRGPNZFM-HSZRJFAPSA-N 0 0 417.465 4.347 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CNc3ccc(CN4CCOCC4)cc3)cs2)c1 ZINC000532746398 931619934 /nfs/dbraw/zinc/61/99/34/931619934.db2.gz XZKVNUYQIUXEIS-UHFFFAOYSA-N 0 0 410.499 4.163 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCC[C@H](Oc3ccccc3Cl)C2)c2c(c1)COCO2 ZINC000532780232 931629414 /nfs/dbraw/zinc/62/94/14/931629414.db2.gz BHBVJIBFCOBCKV-KRWDZBQOSA-N 0 0 404.850 4.158 20 5 HIBDRN COc1ccc(CC(=O)N(C)[C@H](C)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000532789911 931632015 /nfs/dbraw/zinc/63/20/15/931632015.db2.gz JTMWSJDHDFVQOC-GFCCVEGCSA-N 0 0 407.264 4.128 20 5 HIBDRN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000532805839 931634758 /nfs/dbraw/zinc/63/47/58/931634758.db2.gz XQWBBHAWJARXAO-ZDUSSCGKSA-N 0 0 414.849 4.056 20 5 HIBDRN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000532852921 931665141 /nfs/dbraw/zinc/66/51/41/931665141.db2.gz UWSCTMOGAJFPMQ-NXXSPTCGSA-N 0 0 420.872 4.193 20 5 HIBDRN CC(C)c1nc2cc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)ccc2o1 ZINC000532869794 931673817 /nfs/dbraw/zinc/67/38/17/931673817.db2.gz FSNXNCOBVSBVNP-UHFFFAOYSA-N 0 0 406.398 4.425 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000532886463 931678318 /nfs/dbraw/zinc/67/83/18/931678318.db2.gz YDQFOZDBQYGKST-UHFFFAOYSA-N 0 0 401.806 4.131 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000532979255 931723883 /nfs/dbraw/zinc/72/38/83/931723883.db2.gz XIFGMYMTXQKXHX-NQCMUKECSA-N 0 0 421.856 4.176 20 5 HIBDRN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532980021 931724730 /nfs/dbraw/zinc/72/47/30/931724730.db2.gz GHZQWYQSRGJZTB-KZULUSFZSA-N 0 0 424.284 4.302 20 5 HIBDRN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532980023 931725124 /nfs/dbraw/zinc/72/51/24/931725124.db2.gz GHZQWYQSRGJZTB-XIKOKIGWSA-N 0 0 424.284 4.302 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000532981975 931726031 /nfs/dbraw/zinc/72/60/31/931726031.db2.gz MEDNXCCHVJXZFL-YWZLYKJASA-N 0 0 417.893 4.347 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000533286931 931828153 /nfs/dbraw/zinc/82/81/53/931828153.db2.gz CWELJPVIFCZXHK-UHFFFAOYSA-N 0 0 410.449 4.342 20 5 HIBDRN 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ZINC000538968581 938754460 /nfs/dbraw/zinc/75/44/60/938754460.db2.gz PTUNUGHRKDLEIR-UHFFFAOYSA-N 0 0 413.437 4.115 20 5 HIBDRN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000538991714 938762232 /nfs/dbraw/zinc/76/22/32/938762232.db2.gz UXWZKSJDWKVWBC-APPDUMDISA-N 0 0 412.364 4.128 20 5 HIBDRN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000539019235 938770432 /nfs/dbraw/zinc/77/04/32/938770432.db2.gz XEVPUWQDGCWQBG-PBHICJAKSA-N 0 0 401.463 4.161 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1OCC(F)F ZINC000539097927 938802448 /nfs/dbraw/zinc/80/24/48/938802448.db2.gz URJOQRYZMIGQGN-SECBINFHSA-N 0 0 418.755 4.437 20 5 HIBDRN COc1cc(CNc2cnn(CC(C)C)c2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539227414 938822137 /nfs/dbraw/zinc/82/21/37/938822137.db2.gz RNLAQCLSQRYBCD-UHFFFAOYSA-N 0 0 416.400 4.318 20 5 HIBDRN CSc1cc(C(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)ccc1NC(C)=O ZINC000539274068 938831435 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20 5 HIBDRN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000540229456 939149657 /nfs/dbraw/zinc/14/96/57/939149657.db2.gz KCEKICPVXZXBNZ-OAHLLOKOSA-N 0 0 404.291 4.009 20 5 HIBDRN Cn1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(-c2ccccc2)n1 ZINC000540235354 939156813 /nfs/dbraw/zinc/15/68/13/939156813.db2.gz PLYVBTXKDBRIDN-UHFFFAOYSA-N 0 0 400.822 4.056 20 5 HIBDRN Cc1cc(Cl)c(C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc32)cc1C ZINC000540323704 939194331 /nfs/dbraw/zinc/19/43/31/939194331.db2.gz AYAPAAWWYOXHPK-UHFFFAOYSA-N 0 0 413.865 4.040 20 5 HIBDRN C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000540339830 939199389 /nfs/dbraw/zinc/19/93/89/939199389.db2.gz BYKNFGVQVUKATG-OLZOCXBDSA-N 0 0 406.280 4.349 20 5 HIBDRN C[C@H](NC(=O)N[C@@H]1CCc2c1cccc2Br)c1ccccc1[N+](=O)[O-] ZINC000540348281 939202078 /nfs/dbraw/zinc/20/20/78/939202078.db2.gz PVCIKCWWWSCHKS-MEDUHNTESA-N 0 0 404.264 4.405 20 5 HIBDRN CC[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1OC(F)F ZINC000540351254 939203074 /nfs/dbraw/zinc/20/30/74/939203074.db2.gz GRYFLIRHOZMSEG-OAHLLOKOSA-N 0 0 404.373 4.487 20 5 HIBDRN Cc1cc(NC(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)n(-c2ccc(C)cc2)n1 ZINC000540374178 939215590 /nfs/dbraw/zinc/21/55/90/939215590.db2.gz ZADSSKMRJKJTBD-UHFFFAOYSA-N 0 0 424.848 4.039 20 5 HIBDRN COc1cc(-c2noc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)ccc1OC(F)F ZINC000540375742 939216199 /nfs/dbraw/zinc/21/61/99/939216199.db2.gz JJICFRMHMFDOOV-NSHDSACASA-N 0 0 420.372 4.106 20 5 HIBDRN C[C@H](NCCS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000540376977 939217026 /nfs/dbraw/zinc/21/70/26/939217026.db2.gz UYXXJAJYMGDGHL-NSHDSACASA-N 0 0 403.287 4.026 20 5 HIBDRN Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000540397345 939233815 /nfs/dbraw/zinc/23/38/15/939233815.db2.gz DRFAYZILCULFFU-UHFFFAOYSA-N 0 0 401.488 4.358 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1SC ZINC000540443556 939252042 /nfs/dbraw/zinc/25/20/42/939252042.db2.gz VAOADOJPBVIGKG-RDTXWAMCSA-N 0 0 422.890 4.239 20 5 HIBDRN CN(C(=O)c1cccc([C@@H]2CCOC2)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540452494 939256220 /nfs/dbraw/zinc/25/62/20/939256220.db2.gz PDMKCICCBLUNLQ-MRXNPFEDSA-N 0 0 409.467 4.499 20 5 HIBDRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000540459105 939260401 /nfs/dbraw/zinc/26/04/01/939260401.db2.gz VUIULOKXZNTPKP-UHFFFAOYSA-N 0 0 417.487 4.058 20 5 HIBDRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000540463978 939262582 /nfs/dbraw/zinc/26/25/82/939262582.db2.gz NJYDSAUJQSABFG-IRXDYDNUSA-N 0 0 410.474 4.025 20 5 HIBDRN O=C(N[C@@H]1COc2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000540488248 939271705 /nfs/dbraw/zinc/27/17/05/939271705.db2.gz MQOYPEQSLVSFOY-GOSISDBHSA-N 0 0 420.446 4.120 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)cc([N+](=O)[O-])c1OC ZINC000540517917 939284946 /nfs/dbraw/zinc/28/49/46/939284946.db2.gz ZDTHNIWFYJJGKZ-UHFFFAOYSA-N 0 0 418.409 4.203 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(n2c(CC)nc3ccccc32)CC1 ZINC000540566868 939306726 /nfs/dbraw/zinc/30/67/26/939306726.db2.gz GFBZYTMWCCFXOR-UHFFFAOYSA-N 0 0 422.485 4.383 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000540568121 939307360 /nfs/dbraw/zinc/30/73/60/939307360.db2.gz FELFNCSGKOIMBO-YWZLYKJASA-N 0 0 403.454 4.430 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000540588096 939311817 /nfs/dbraw/zinc/31/18/17/939311817.db2.gz WJHKPXJUJCVNSO-LBPRGKRZSA-N 0 0 407.264 4.117 20 5 HIBDRN O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000540606995 939317957 /nfs/dbraw/zinc/31/79/57/939317957.db2.gz JTYZREUNDQQQBY-PXNSSMCTSA-N 0 0 413.271 4.151 20 5 HIBDRN O=C([C@H]1C[C@]12CCc1cc(Br)ccc12)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000540617759 939321367 /nfs/dbraw/zinc/32/13/67/939321367.db2.gz BBLMTYSBJWXYGN-XLIONFOSSA-N 0 0 413.271 4.151 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000540630156 939324012 /nfs/dbraw/zinc/32/40/12/939324012.db2.gz JLSCHZZLDCRYFV-CYBMUJFWSA-N 0 0 413.865 4.396 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540636468 939325573 /nfs/dbraw/zinc/32/55/73/939325573.db2.gz RAAKDIKQBWPLGW-IRXDYDNUSA-N 0 0 424.423 4.303 20 5 HIBDRN CCc1nn(C)c(OC)c1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000540644280 939328934 /nfs/dbraw/zinc/32/89/34/939328934.db2.gz IPRUKADHNLJRLP-UHFFFAOYSA-N 0 0 404.854 4.103 20 5 HIBDRN Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1C1CCCCC1 ZINC000540663311 939333907 /nfs/dbraw/zinc/33/39/07/939333907.db2.gz UKALPWZHYFXXPX-UHFFFAOYSA-N 0 0 412.490 4.289 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(c2ccncc2)CCCC1 ZINC000540700258 939343403 /nfs/dbraw/zinc/34/34/03/939343403.db2.gz XIJSLJNDNQSUED-AWEZNQCLSA-N 0 0 403.866 4.039 20 5 HIBDRN Cc1nn(C)c(C(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000540719013 939348016 /nfs/dbraw/zinc/34/80/16/939348016.db2.gz CGNQPBNYCLCCJH-GJZGRUSLSA-N 0 0 410.396 4.064 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000540738117 939354118 /nfs/dbraw/zinc/35/41/18/939354118.db2.gz ONBGJVQSZMFHSO-UHFFFAOYSA-N 0 0 414.531 4.281 20 5 HIBDRN C[C@@H](C(=O)Nc1cc(F)ccc1Sc1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000563669777 945247259 /nfs/dbraw/zinc/24/72/59/945247259.db2.gz XEKPDJKAICWJSP-GFCCVEGCSA-N 0 0 400.435 4.361 20 5 HIBDRN Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1-c1ccc(C)cc1 ZINC000540753620 939360120 /nfs/dbraw/zinc/36/01/20/939360120.db2.gz IBWBANOZNRLYBF-UHFFFAOYSA-N 0 0 420.469 4.081 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000540758191 939361987 /nfs/dbraw/zinc/36/19/87/939361987.db2.gz RIFMWVUMZKECMT-MUUNZHRXSA-N 0 0 420.556 4.497 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(c1cccc(F)c1)C1CCOCC1 ZINC000540765180 939364385 /nfs/dbraw/zinc/36/43/85/939364385.db2.gz LOAVGGLBEUMUKM-ZDUSSCGKSA-N 0 0 422.840 4.367 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000540798949 939376350 /nfs/dbraw/zinc/37/63/50/939376350.db2.gz PZLYLPMYXUCBDW-WIYYLYMNSA-N 0 0 419.884 4.270 20 5 HIBDRN CC(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540800020 939376870 /nfs/dbraw/zinc/37/68/70/939376870.db2.gz RCVFHCCJXIXZAK-WMLDXEAASA-N 0 0 411.886 4.403 20 5 HIBDRN CC[C@@H](C)Oc1cc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccn1 ZINC000540801142 939377437 /nfs/dbraw/zinc/37/74/37/939377437.db2.gz YJLXYWYZXXUQRA-QGZVFWFLSA-N 0 0 415.493 4.043 20 5 HIBDRN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000540979211 939423666 /nfs/dbraw/zinc/42/36/66/939423666.db2.gz CSDYNXNDVOCIPX-KRWDZBQOSA-N 0 0 420.469 4.086 20 5 HIBDRN COCc1cccc2sc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)nc21 ZINC000541006592 939429820 /nfs/dbraw/zinc/42/98/20/939429820.db2.gz WQOOCQOVWSLQRR-UHFFFAOYSA-N 0 0 409.370 4.205 20 5 HIBDRN CNC(=O)c1cc(Oc2cccc(Oc3nc(C)cc(C)c3[N+](=O)[O-])c2C)ccn1 ZINC000541006548 939429970 /nfs/dbraw/zinc/42/99/70/939429970.db2.gz UNGOWMXPZQUDBF-UHFFFAOYSA-N 0 0 408.414 4.254 20 5 HIBDRN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541012527 939431010 /nfs/dbraw/zinc/43/10/10/939431010.db2.gz LSOBRZXZINNUPT-UHFFFAOYSA-N 0 0 405.401 4.069 20 5 HIBDRN CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cs1 ZINC000541070364 939449732 /nfs/dbraw/zinc/44/97/32/939449732.db2.gz XRMGROGUFSRHSI-AWEZNQCLSA-N 0 0 424.954 4.120 20 5 HIBDRN COC(=O)[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000541071401 939449753 /nfs/dbraw/zinc/44/97/53/939449753.db2.gz YCJFVMABFAYBOP-OAHLLOKOSA-N 0 0 413.655 4.015 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)N([C@@H](C)c2ccccc2Cl)C2CC2)ccc1[N+](=O)[O-] ZINC000541095141 939458636 /nfs/dbraw/zinc/45/86/36/939458636.db2.gz WCSLKBZBDLYJKG-AWEZNQCLSA-N 0 0 415.877 4.039 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000541108652 939463246 /nfs/dbraw/zinc/46/32/46/939463246.db2.gz HJOFCCWBXHEXOE-OAHLLOKOSA-N 0 0 422.281 4.456 20 5 HIBDRN COc1ccc(NC(=O)C(=O)N[C@H](CC2CCCCC2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000541143101 939475338 /nfs/dbraw/zinc/47/53/38/939475338.db2.gz IPNDDNDFWCISPG-GOSISDBHSA-N 0 0 405.495 4.043 20 5 HIBDRN O=C(c1ccc(F)c(F)c1)c1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000541222393 939486395 /nfs/dbraw/zinc/48/63/95/939486395.db2.gz FLEUMWKZPQSBER-UHFFFAOYSA-N 0 0 422.387 4.303 20 5 HIBDRN COc1cc(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)ccc1[N+](=O)[O-] ZINC000541228414 939486621 /nfs/dbraw/zinc/48/66/21/939486621.db2.gz GEYYLKGQGCQTRD-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1cnn(C[C@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000541261480 939488231 /nfs/dbraw/zinc/48/82/31/939488231.db2.gz VFNMCIPNHHPVCX-ZDUSSCGKSA-N 0 0 408.241 4.205 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1csc(-c2ccccn2)n1 ZINC000541273467 939488787 /nfs/dbraw/zinc/48/87/87/939488787.db2.gz VMVLOQRCSYIYKP-UHFFFAOYSA-N 0 0 416.484 4.104 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541274782 939488863 /nfs/dbraw/zinc/48/88/63/939488863.db2.gz XLIVBCPSGOBXJS-ZMZPIMSZSA-N 0 0 412.870 4.372 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000541279575 939489114 /nfs/dbraw/zinc/48/91/14/939489114.db2.gz YSIIHOZWJCLPJR-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000541291604 939489577 /nfs/dbraw/zinc/48/95/77/939489577.db2.gz XOWFKFHBUPWQCH-LPHOPBHVSA-N 0 0 406.891 4.377 20 5 HIBDRN Cc1cc(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1-n1nnnc1C(C)C ZINC000541291768 939489625 /nfs/dbraw/zinc/48/96/25/939489625.db2.gz YRHQBPYNGLGCRN-UHFFFAOYSA-N 0 0 419.445 4.269 20 5 HIBDRN Cc1ccn(-c2ccccc2CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000541297489 939489934 /nfs/dbraw/zinc/48/99/34/939489934.db2.gz LHVBGUGBMDJBPQ-UHFFFAOYSA-N 0 0 416.890 4.151 20 5 HIBDRN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nn1[C@@H](C)C1CC1 ZINC000541300219 939490082 /nfs/dbraw/zinc/49/00/82/939490082.db2.gz IWBLHWQCDAUDNR-INIZCTEOSA-N 0 0 400.482 4.269 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc2[nH]ccc21 ZINC000563694786 945254259 /nfs/dbraw/zinc/25/42/59/945254259.db2.gz CCEHUJSDIKXBGB-UHFFFAOYSA-N 0 0 407.304 4.134 20 5 HIBDRN COC(=O)COc1ccc(N(C)C(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000541354056 939496163 /nfs/dbraw/zinc/49/61/63/939496163.db2.gz VWNMRLCGPVBILD-UHFFFAOYSA-N 0 0 400.434 4.216 20 5 HIBDRN Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000541371702 939499655 /nfs/dbraw/zinc/49/96/55/939499655.db2.gz OYBYARVANXWCJR-UHFFFAOYSA-N 0 0 417.425 4.424 20 5 HIBDRN Cc1ccc([C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C2)cc1 ZINC000541391550 939504088 /nfs/dbraw/zinc/50/40/88/939504088.db2.gz YXXUHNNQUFHNCM-MRXNPFEDSA-N 0 0 403.276 4.224 20 5 HIBDRN C[C@H](O)C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000541473359 939530174 /nfs/dbraw/zinc/53/01/74/939530174.db2.gz DQTGKZYAZYPPFC-DZGCQCFKSA-N 0 0 408.907 4.011 20 5 HIBDRN COc1cc(C(=O)NCCn2c3ccccc3c3ccccc32)cc([N+](=O)[O-])c1OC ZINC000541498421 939536957 /nfs/dbraw/zinc/53/69/57/939536957.db2.gz OBFSEUJRZNSXBV-UHFFFAOYSA-N 0 0 419.437 4.150 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000541522118 939543897 /nfs/dbraw/zinc/54/38/97/939543897.db2.gz YDPXCEGDXKXLFR-UHFFFAOYSA-N 0 0 420.347 4.111 20 5 HIBDRN Cc1c(Br)c(N[C@@H](C)c2noc(Cc3ccccc3)n2)ncc1[N+](=O)[O-] ZINC000541577182 939559172 /nfs/dbraw/zinc/55/91/72/939559172.db2.gz LQVPCLMAEWPRKU-NSHDSACASA-N 0 0 418.251 4.208 20 5 HIBDRN CC(C)OCCOCc1cccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000541602769 939566137 /nfs/dbraw/zinc/56/61/37/939566137.db2.gz WAWVUOCVJLWFGV-OAHLLOKOSA-N 0 0 404.438 4.418 20 5 HIBDRN CCCCOc1ccc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000541604302 939566694 /nfs/dbraw/zinc/56/66/94/939566694.db2.gz YNYBSCTXLFFXTG-AWEZNQCLSA-N 0 0 404.438 4.341 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1NC(=O)c1ccncc1 ZINC000541606271 939567422 /nfs/dbraw/zinc/56/74/22/939567422.db2.gz WXJYCPMQOQGAGJ-CQSZACIVSA-N 0 0 422.416 4.432 20 5 HIBDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000541611746 939570195 /nfs/dbraw/zinc/57/01/95/939570195.db2.gz XQEVPTGNGGPWHB-KBPBESRZSA-N 0 0 401.438 4.138 20 5 HIBDRN C[C@@H](C(=O)NCC1(c2cccc(Br)c2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541621213 939573074 /nfs/dbraw/zinc/57/30/74/939573074.db2.gz APPKNKMHGXJYRQ-GFCCVEGCSA-N 0 0 421.266 4.448 20 5 HIBDRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000541622898 939573277 /nfs/dbraw/zinc/57/32/77/939573277.db2.gz YXFJGCNURFYMPI-GDBMZVCRSA-N 0 0 403.429 4.070 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541634381 939577883 /nfs/dbraw/zinc/57/78/83/939577883.db2.gz CVQCDCZPKMWYJA-JOKNJTHLSA-N 0 0 422.840 4.191 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nccs1 ZINC000541652819 939588014 /nfs/dbraw/zinc/58/80/14/939588014.db2.gz MPPZYVAYPPZCEF-KGLIPLIRSA-N 0 0 411.487 4.153 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nccs1 ZINC000541652818 939588416 /nfs/dbraw/zinc/58/84/16/939588416.db2.gz MPPZYVAYPPZCEF-KBPBESRZSA-N 0 0 411.487 4.153 20 5 HIBDRN O=C(NC[C@H](CO)Cc1ccco1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541680915 939599603 /nfs/dbraw/zinc/59/96/03/939599603.db2.gz MJFBFHGTEVUZNH-MRXNPFEDSA-N 0 0 418.515 4.051 20 5 HIBDRN O=C(N[C@H](CO)c1ccccc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541707876 939610911 /nfs/dbraw/zinc/61/09/11/939610911.db2.gz POLUMZUUGBHGLL-LJQANCHMSA-N 0 0 400.500 4.341 20 5 HIBDRN O=C(NCc1ccc(N2CCc3ccccc3C2)nc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541786224 939629570 /nfs/dbraw/zinc/62/95/70/939629570.db2.gz GLLNZPQYHZRIRD-UHFFFAOYSA-N 0 0 421.432 4.013 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000541810880 939640023 /nfs/dbraw/zinc/64/00/23/939640023.db2.gz XJUULFKTNKFHDX-NQIIRXRSSA-N 0 0 413.449 4.328 20 5 HIBDRN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541834590 939644902 /nfs/dbraw/zinc/64/49/02/939644902.db2.gz MSIUZCZIISBABI-UHFFFAOYSA-N 0 0 400.341 4.382 20 5 HIBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cn(C)c1=O ZINC000541833876 939644904 /nfs/dbraw/zinc/64/49/04/939644904.db2.gz SANLYRFGTRFAOW-UHFFFAOYSA-N 0 0 401.488 4.137 20 5 HIBDRN Cc1ccc(NC(=O)c2ncc(Br)cc2Br)cc1[N+](=O)[O-] ZINC000541836057 939645366 /nfs/dbraw/zinc/64/53/66/939645366.db2.gz QMXBBOGRXVDTNA-UHFFFAOYSA-N 0 0 415.041 4.076 20 5 HIBDRN CCOc1cc(C(=O)N2[C@H](C)Cc3cc(OC)ccc3[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000541929206 939656343 /nfs/dbraw/zinc/65/63/43/939656343.db2.gz NOYPZLJYWLIPDM-KGLIPLIRSA-N 0 0 414.458 4.159 20 5 HIBDRN Cc1ccc(-c2nc(CCNC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)co2)cc1 ZINC000541953399 939660882 /nfs/dbraw/zinc/66/08/82/939660882.db2.gz JUPZRGLKCWZOOD-UHFFFAOYSA-N 0 0 417.368 4.132 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000541960810 939662937 /nfs/dbraw/zinc/66/29/37/939662937.db2.gz ZRMWPOWKPCYYAW-GFCCVEGCSA-N 0 0 412.776 4.143 20 5 HIBDRN O=C(Nc1cccc(CCCO)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000541988466 939671474 /nfs/dbraw/zinc/67/14/74/939671474.db2.gz LVRSOZFFHNJIMM-UHFFFAOYSA-N 0 0 405.454 4.384 20 5 HIBDRN COc1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1[N+](=O)[O-] ZINC000541999069 939675874 /nfs/dbraw/zinc/67/58/74/939675874.db2.gz UBLPMYIURQHWMD-UHFFFAOYSA-N 0 0 423.763 4.027 20 5 HIBDRN Cn1cc(-c2ccc(F)c(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000542003051 939679096 /nfs/dbraw/zinc/67/90/96/939679096.db2.gz TVADAMHAODNTTJ-HXUWFJFHSA-N 0 0 412.446 4.022 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)nc2c1 ZINC000542019640 939688479 /nfs/dbraw/zinc/68/84/79/939688479.db2.gz JCXOQNYNCZMKLA-KRWDZBQOSA-N 0 0 407.348 4.328 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000542063923 939701937 /nfs/dbraw/zinc/70/19/37/939701937.db2.gz LEQZPSLKYUNDCG-INIZCTEOSA-N 0 0 414.767 4.481 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc(Oc3ccc(CO)cc3)cc2)s1 ZINC000542120341 939720949 /nfs/dbraw/zinc/72/09/49/939720949.db2.gz AKXZPUUPJMEZJD-UHFFFAOYSA-N 0 0 420.468 4.088 20 5 HIBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCC(=O)C1CC1 ZINC000542174124 939743964 /nfs/dbraw/zinc/74/39/64/939743964.db2.gz QFGHKQBHNVPURA-WJDWOHSUSA-N 0 0 421.478 4.231 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2cncnc2)cc1 ZINC000542191070 939750969 /nfs/dbraw/zinc/75/09/69/939750969.db2.gz WWWBWOAHWARQAH-UHFFFAOYSA-N 0 0 400.847 4.436 20 5 HIBDRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000542205868 939756355 /nfs/dbraw/zinc/75/63/55/939756355.db2.gz RMKXDYMNISUCIM-NFBKMPQASA-N 0 0 417.465 4.438 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000542215547 939760634 /nfs/dbraw/zinc/76/06/34/939760634.db2.gz PPMYGDDIIYFGAJ-AWEZNQCLSA-N 0 0 406.435 4.023 20 5 HIBDRN CC[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000542219790 939762255 /nfs/dbraw/zinc/76/22/55/939762255.db2.gz UYZYGYPGTVNNKZ-GFCCVEGCSA-N 0 0 404.879 4.484 20 5 HIBDRN CC(=O)c1ccc(NC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000542224275 939764279 /nfs/dbraw/zinc/76/42/79/939764279.db2.gz ZPFBZXZEHSHTLX-UHFFFAOYSA-N 0 0 409.261 4.291 20 5 HIBDRN CC(C)NC(=O)Cc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000542225897 939764724 /nfs/dbraw/zinc/76/47/24/939764724.db2.gz XJYJEFXQOVFTPL-UHFFFAOYSA-N 0 0 421.906 4.046 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCCc1nc2cc(Cl)ccc2s1 ZINC000542235371 939769658 /nfs/dbraw/zinc/76/96/58/939769658.db2.gz ZDQZRCGEEMCWOF-UHFFFAOYSA-N 0 0 407.904 4.309 20 5 HIBDRN COc1cccc([C@@H]2C[C@H](C)CN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000542240679 939770926 /nfs/dbraw/zinc/77/09/26/939770926.db2.gz QFFVVBKMIRUDLV-SJCJKPOMSA-N 0 0 410.879 4.029 20 5 HIBDRN COc1cc(Br)ccc1CCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000542243970 939771561 /nfs/dbraw/zinc/77/15/61/939771561.db2.gz QGBHDTOEQHRGHA-UHFFFAOYSA-N 0 0 407.264 4.037 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000542265302 939777248 /nfs/dbraw/zinc/77/72/48/939777248.db2.gz NEYVINFOFUSYPY-CYBMUJFWSA-N 0 0 410.293 4.466 20 5 HIBDRN COC(=O)c1cc(C(=O)N2C[C@H](C)CSc3ccc(Cl)cc32)cc([N+](=O)[O-])c1 ZINC000542333371 939802157 /nfs/dbraw/zinc/80/21/57/939802157.db2.gz RQMLCOFAFBHHGC-NSHDSACASA-N 0 0 420.874 4.423 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@]3(C)CCO[C@H]3C3CC3)cc2[N+](=O)[O-])n1 ZINC000542344094 939803854 /nfs/dbraw/zinc/80/38/54/939803854.db2.gz IKFJGTVXZZQSIG-LPHOPBHVSA-N 0 0 419.528 4.198 20 5 HIBDRN CCc1ccc([C@H](NCc2ccc(C(=O)OC)c(OC)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542495505 939832703 /nfs/dbraw/zinc/83/27/03/939832703.db2.gz XCEYSURORLJNNM-JOCHJYFZSA-N 0 0 424.453 4.425 20 5 HIBDRN Cc1c(Br)c(NCc2ccnc(OCC(F)(F)F)c2)ncc1[N+](=O)[O-] ZINC000542506578 939834352 /nfs/dbraw/zinc/83/43/52/939834352.db2.gz DQOMJGIHHOPXAX-UHFFFAOYSA-N 0 0 421.173 4.009 20 5 HIBDRN Cc1nn(C)c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542509916 939834866 /nfs/dbraw/zinc/83/48/66/939834866.db2.gz HVUIECJBRABDIP-UHFFFAOYSA-N 0 0 402.520 4.157 20 5 HIBDRN C[C@@H](C(=O)N(CC(=O)OC(C)(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000542512535 939835316 /nfs/dbraw/zinc/83/53/16/939835316.db2.gz RSSBRANVCZERTN-CQSZACIVSA-N 0 0 402.422 4.212 20 5 HIBDRN CCCCc1c(C)nc2nc(Sc3ncnc4cccc([N+](=O)[O-])c43)nn2c1C ZINC000542519923 939836627 /nfs/dbraw/zinc/83/66/27/939836627.db2.gz VZILHIYKMQHGKZ-UHFFFAOYSA-N 0 0 409.475 4.086 20 5 HIBDRN C[C@@H](C(=O)NCc1cccc(COCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542525651 939837369 /nfs/dbraw/zinc/83/73/69/939837369.db2.gz JGDYPDXBMGWUIO-GFCCVEGCSA-N 0 0 414.355 4.233 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)n2)ccc1F ZINC000542526394 939837431 /nfs/dbraw/zinc/83/74/31/939837431.db2.gz OTLFFVSVVJBKNG-NEPJUHHUSA-N 0 0 416.384 4.212 20 5 HIBDRN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542532251 939838769 /nfs/dbraw/zinc/83/87/69/939838769.db2.gz NJWMANRKGCODAA-CRAIPNDOSA-N 0 0 416.449 4.054 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000542542399 939840872 /nfs/dbraw/zinc/84/08/72/939840872.db2.gz UDOMMNTURGUUTL-GDBMZVCRSA-N 0 0 402.422 4.424 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1SC ZINC000542563687 939844283 /nfs/dbraw/zinc/84/42/83/939844283.db2.gz QXPIAHFKCQFKKV-YOEHRIQHSA-N 0 0 420.462 4.115 20 5 HIBDRN O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542568021 939844729 /nfs/dbraw/zinc/84/47/29/939844729.db2.gz DPNYNUNJBPEVIE-UHFFFAOYSA-N 0 0 424.486 4.310 20 5 HIBDRN C[C@@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccs1 ZINC000542591640 939847122 /nfs/dbraw/zinc/84/71/22/939847122.db2.gz ZCZVDXZYHHJPQA-VIFPVBQESA-N 0 0 405.423 4.082 20 5 HIBDRN COc1cccc(-c2noc([C@@H](C)NCc3cc([N+](=O)[O-])ccc3OC(C)C)n2)c1 ZINC000542612351 939848350 /nfs/dbraw/zinc/84/83/50/939848350.db2.gz NKLDIVSRQRKCEQ-CQSZACIVSA-N 0 0 412.446 4.291 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)n2)cc1 ZINC000542616838 939848932 /nfs/dbraw/zinc/84/89/32/939848932.db2.gz IYBRRSVSGZZZQN-CYBMUJFWSA-N 0 0 420.429 4.108 20 5 HIBDRN C[C@@H](C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542638952 939850919 /nfs/dbraw/zinc/85/09/19/939850919.db2.gz YBZBGBYCXHOFAL-LLVKDONJSA-N 0 0 415.248 4.165 20 5 HIBDRN CCOc1cc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)ccc1OC(F)F ZINC000542710286 939855902 /nfs/dbraw/zinc/85/59/02/939855902.db2.gz HGOQPILXJTYOOL-UHFFFAOYSA-N 0 0 413.352 4.398 20 5 HIBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000542838336 939862152 /nfs/dbraw/zinc/86/21/52/939862152.db2.gz CWUUAMHTXPWSPE-CQSZACIVSA-N 0 0 411.487 4.377 20 5 HIBDRN COc1ccc(CNC(=O)NC2CCC(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000542851902 939863253 /nfs/dbraw/zinc/86/32/53/939863253.db2.gz LXKZLVBIOVCGAD-UHFFFAOYSA-N 0 0 401.438 4.268 20 5 HIBDRN CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542857029 939863524 /nfs/dbraw/zinc/86/35/24/939863524.db2.gz SVUCDIJRRYRTFZ-UHFFFAOYSA-N 0 0 423.372 4.057 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccco1 ZINC000542891872 939865829 /nfs/dbraw/zinc/86/58/29/939865829.db2.gz VYKRQHOZGHQZGC-SFHVURJKSA-N 0 0 418.352 4.317 20 5 HIBDRN Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nnn1-c1ccc(C)cc1 ZINC000542928163 939879945 /nfs/dbraw/zinc/87/99/45/939879945.db2.gz RGCVTCHLUMFWSJ-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC(=O)C1CCCCC1 ZINC000542928576 939879967 /nfs/dbraw/zinc/87/99/67/939879967.db2.gz TWYRDILUPQNFBW-LLVKDONJSA-N 0 0 401.385 4.027 20 5 HIBDRN COc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1[N+](=O)[O-] ZINC000542931499 939880771 /nfs/dbraw/zinc/88/07/71/939880771.db2.gz CQDAZTKQWDCKQT-UHFFFAOYSA-N 0 0 403.341 4.108 20 5 HIBDRN O=c1[nH]c(SCc2ccc([N+](=O)[O-])cc2Cl)nc2c1cnn2-c1ccccc1 ZINC000542938733 939882481 /nfs/dbraw/zinc/88/24/81/939882481.db2.gz SYFWGSLJEUPEMT-UHFFFAOYSA-N 0 0 413.846 4.375 20 5 HIBDRN O=[N+]([O-])c1ccc(CNc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c(Cl)c1 ZINC000542942613 939882908 /nfs/dbraw/zinc/88/29/08/939882908.db2.gz UJDQUVNTNBSHRY-UHFFFAOYSA-N 0 0 405.245 4.367 20 5 HIBDRN COC(=O)c1ccc(-c2nc(CN(Cc3ccc([N+](=O)[O-])cc3)C3CC3)co2)cc1 ZINC000542979665 939890786 /nfs/dbraw/zinc/89/07/86/939890786.db2.gz SXVAXARTJYSVNT-UHFFFAOYSA-N 0 0 407.426 4.201 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2ccccc2C(F)(F)F)C2CC2)s1 ZINC000543032746 939899090 /nfs/dbraw/zinc/89/90/90/939899090.db2.gz DKUHIPNRXUWSRE-UHFFFAOYSA-N 0 0 420.434 4.248 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nc2ccccc2cc1Br ZINC000563747638 945280292 /nfs/dbraw/zinc/28/02/92/945280292.db2.gz NUHOFNQYNOIWHI-UHFFFAOYSA-N 0 0 400.232 4.178 20 5 HIBDRN CC(C)CC(=O)Nc1ccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000563747599 945280525 /nfs/dbraw/zinc/28/05/25/945280525.db2.gz QNJRAWQRVBJFAV-UHFFFAOYSA-N 0 0 423.473 4.425 20 5 HIBDRN Cn1cnc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)c2)n1 ZINC000543105717 939947096 /nfs/dbraw/zinc/94/70/96/939947096.db2.gz ZNEIBJVRLQJVFL-UHFFFAOYSA-N 0 0 415.409 4.435 20 5 HIBDRN CNc1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000543130154 939961006 /nfs/dbraw/zinc/96/10/06/939961006.db2.gz VPQOAAUWTHPBGZ-GOSISDBHSA-N 0 0 421.457 4.444 20 5 HIBDRN Cc1nn(-c2ccccc2)cc1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543130431 939962442 /nfs/dbraw/zinc/96/24/42/939962442.db2.gz ZGGXMMLLRFXUPN-UHFFFAOYSA-N 0 0 416.890 4.151 20 5 HIBDRN COc1cccc([C@H]2C[C@@H](C)CN2c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c1 ZINC000543131665 939962931 /nfs/dbraw/zinc/96/29/31/939962931.db2.gz CQMDOYFFHNPGTI-FOIQADDNSA-N 0 0 420.469 4.155 20 5 HIBDRN COc1cccc([C@@H]2C[C@@H](C)CN2c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c1 ZINC000543131667 939963315 /nfs/dbraw/zinc/96/33/15/939963315.db2.gz CQMDOYFFHNPGTI-QRWLVFNGSA-N 0 0 420.469 4.155 20 5 HIBDRN C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000543141940 939967915 /nfs/dbraw/zinc/96/79/15/939967915.db2.gz RNWDAXBCUXOLSF-LLVKDONJSA-N 0 0 419.890 4.102 20 5 HIBDRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000543150166 939973682 /nfs/dbraw/zinc/97/36/82/939973682.db2.gz NUGOKFWJBYKJKG-UHFFFAOYSA-N 0 0 422.484 4.075 20 5 HIBDRN CCCOc1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000543150764 939974865 /nfs/dbraw/zinc/97/48/65/939974865.db2.gz MAANJGSOXPWSTJ-UHFFFAOYSA-N 0 0 424.906 4.454 20 5 HIBDRN COc1ccccc1[C@H](C)N(C)C(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000543152557 939976266 /nfs/dbraw/zinc/97/62/66/939976266.db2.gz ZUCKPVPPSZRBME-LBPRGKRZSA-N 0 0 412.364 4.221 20 5 HIBDRN CCn1c2ccc(F)cc2nc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000543156152 939978902 /nfs/dbraw/zinc/97/89/02/939978902.db2.gz VWWOPQMOYRPJGJ-UHFFFAOYSA-N 0 0 407.199 4.118 20 5 HIBDRN COc1ccc2cc(CN(C)C(=O)NCc3cc([N+](=O)[O-])ccc3OC)ccc2c1 ZINC000543176381 939985869 /nfs/dbraw/zinc/98/58/69/939985869.db2.gz AGMKBJOFTXBNIE-UHFFFAOYSA-N 0 0 409.442 4.107 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2F)C1 ZINC000543287283 940018439 /nfs/dbraw/zinc/01/84/39/940018439.db2.gz PBXGDAZQVZZONH-INIZCTEOSA-N 0 0 410.854 4.080 20 5 HIBDRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000543331693 940033224 /nfs/dbraw/zinc/03/32/24/940033224.db2.gz CUBUJAKXVTYVKF-SIKLNZKXSA-N 0 0 418.453 4.183 20 5 HIBDRN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543331154 940033264 /nfs/dbraw/zinc/03/32/64/940033264.db2.gz NFJPBRZRGFKKSJ-NSHDSACASA-N 0 0 410.854 4.257 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc(-n3nnnc3C(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000543367574 940044039 /nfs/dbraw/zinc/04/40/39/940044039.db2.gz VZYABZRFXXRJOF-HNNXBMFYSA-N 0 0 423.477 4.193 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)CCc1ccccc1 ZINC000543384695 940047650 /nfs/dbraw/zinc/04/76/50/940047650.db2.gz IYLYCAVUYFMRIJ-GOSISDBHSA-N 0 0 402.516 4.066 20 5 HIBDRN CN1CCO[C@H]([C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)c2ccc(Cl)cc2)C1 ZINC000543414204 940057976 /nfs/dbraw/zinc/05/79/76/940057976.db2.gz PRXRCLNOOHRYRL-OALUTQOASA-N 0 0 410.301 4.063 20 5 HIBDRN CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)[C@H]2CCO[C@H]21 ZINC000543442006 940064757 /nfs/dbraw/zinc/06/47/57/940064757.db2.gz MKTHREGBRVVQAZ-ATZDWAIDSA-N 0 0 404.532 4.420 20 5 HIBDRN CC[C@@H](N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 ZINC000543453073 940067801 /nfs/dbraw/zinc/06/78/01/940067801.db2.gz FBGVPTASZNRVQD-BXUZGUMPSA-N 0 0 417.516 4.243 20 5 HIBDRN Cn1nnc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Sc3cccs3)cc21 ZINC000543457869 940068643 /nfs/dbraw/zinc/06/86/43/940068643.db2.gz MRYNJIMYJKOBOH-UHFFFAOYSA-N 0 0 411.468 4.342 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(Sc2nncs2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000543464845 940072454 /nfs/dbraw/zinc/07/24/54/940072454.db2.gz AVOYVFRDIUHXPF-SNVBAGLBSA-N 0 0 404.448 4.479 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543471655 940075246 /nfs/dbraw/zinc/07/52/46/940075246.db2.gz HCDADAQDBUQJPL-CYBMUJFWSA-N 0 0 405.389 4.186 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000543490693 940082050 /nfs/dbraw/zinc/08/20/50/940082050.db2.gz IGEXNHMTMFEGQZ-PBHICJAKSA-N 0 0 423.238 4.147 20 5 HIBDRN C[C@H](NCc1c([N+](=O)[O-])ncn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000543495802 940084305 /nfs/dbraw/zinc/08/43/05/940084305.db2.gz SQYZOGAFEDITMM-JTQLQIEISA-N 0 0 422.308 4.065 20 5 HIBDRN C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(Cc2ccccc2)no1 ZINC000543537690 940098269 /nfs/dbraw/zinc/09/82/69/940098269.db2.gz GNGBLOLDDZFZCB-HNNXBMFYSA-N 0 0 419.441 4.117 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000543541229 940099873 /nfs/dbraw/zinc/09/98/73/940099873.db2.gz OOVVQCYCSKRWMF-LSDHHAIUSA-N 0 0 423.473 4.193 20 5 HIBDRN C[C@@H](C(=O)NCc1csc(CCc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000543580372 940117803 /nfs/dbraw/zinc/11/78/03/940117803.db2.gz AFJNTDORBOBDCW-CQSZACIVSA-N 0 0 413.474 4.396 20 5 HIBDRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@H](C)c4ccc([N+](=O)[O-])cc4F)C3)nc2c1 ZINC000543580683 940117938 /nfs/dbraw/zinc/11/79/38/940117938.db2.gz HHYOJWTVLRIVJM-HUUCEWRRSA-N 0 0 410.449 4.428 20 5 HIBDRN O=C(N[C@H]1CCCc2c[nH]nc21)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543583397 940119351 /nfs/dbraw/zinc/11/93/51/940119351.db2.gz DOPAGMUADMBACZ-KRWDZBQOSA-N 0 0 400.504 4.408 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000543632187 940143883 /nfs/dbraw/zinc/14/38/83/940143883.db2.gz WSBYAUBVHZHKEQ-UHFFFAOYSA-N 0 0 401.513 4.137 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000543640302 940145682 /nfs/dbraw/zinc/14/56/82/940145682.db2.gz CFBRNWPAFSDPSW-UHFFFAOYSA-N 0 0 400.341 4.491 20 5 HIBDRN O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000543638731 940145836 /nfs/dbraw/zinc/14/58/36/940145836.db2.gz HDYAPFBHBZHTEI-UHFFFAOYSA-N 0 0 401.316 4.135 20 5 HIBDRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000543641019 940146352 /nfs/dbraw/zinc/14/63/52/940146352.db2.gz AWTGZNAEGHNONZ-SFHVURJKSA-N 0 0 401.438 4.298 20 5 HIBDRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543643369 940147150 /nfs/dbraw/zinc/14/71/50/940147150.db2.gz BRVFRUATAFJYFV-UHFFFAOYSA-N 0 0 412.421 4.281 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)Nc3ccc([N+](=O)[O-])cc3F)n2)ccc1F ZINC000543645015 940148067 /nfs/dbraw/zinc/14/80/67/940148067.db2.gz VBMMMQVEAOAVRD-JTQLQIEISA-N 0 0 403.345 4.114 20 5 HIBDRN CCn1cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(=O)c2cc(Cl)ccc21 ZINC000543654827 940151631 /nfs/dbraw/zinc/15/16/31/940151631.db2.gz SZAHMAOLSHHVGT-CYBMUJFWSA-N 0 0 413.861 4.382 20 5 HIBDRN CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000543673357 940157411 /nfs/dbraw/zinc/15/74/11/940157411.db2.gz BJYYSCLTDWQIGR-NQIIRXRSSA-N 0 0 411.502 4.076 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)n1 ZINC000543790495 940187559 /nfs/dbraw/zinc/18/75/59/940187559.db2.gz QMUFGMZBFSZOEQ-HXUWFJFHSA-N 0 0 404.470 4.159 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc(COc3ccc(Cl)cc3)n2C)n1 ZINC000543792817 940188298 /nfs/dbraw/zinc/18/82/98/940188298.db2.gz ZNVUZGBBSSECKD-UHFFFAOYSA-N 0 0 405.867 4.119 20 5 HIBDRN O=C(Nc1nc(-c2cccc(O)c2)cs1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543837059 940204961 /nfs/dbraw/zinc/20/49/61/940204961.db2.gz YBYNAZIDLHEWQM-UHFFFAOYSA-N 0 0 407.354 4.278 20 5 HIBDRN COc1ccc(NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)cc1[N+](=O)[O-] ZINC000543856309 940211275 /nfs/dbraw/zinc/21/12/75/940211275.db2.gz DQVGETZEUGDIQV-UHFFFAOYSA-N 0 0 410.430 4.494 20 5 HIBDRN COc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1[N+](=O)[O-] ZINC000543859280 940213008 /nfs/dbraw/zinc/21/30/08/940213008.db2.gz ULPSWKFTEWLHPG-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN O=[N+]([O-])c1ccc(CSc2nnc([C@H]3COc4ccccc4O3)o2)c(Cl)c1 ZINC000543860612 940213443 /nfs/dbraw/zinc/21/34/43/940213443.db2.gz AXELBADWQHLKHW-OAHLLOKOSA-N 0 0 405.819 4.436 20 5 HIBDRN CCN(CC)C(=O)CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543860204 940213483 /nfs/dbraw/zinc/21/34/83/940213483.db2.gz HSRDEJFRZFXBSN-UHFFFAOYSA-N 0 0 410.902 4.141 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 ZINC000543889176 940227370 /nfs/dbraw/zinc/22/73/70/940227370.db2.gz RPDQDXIXECVCSO-GFCCVEGCSA-N 0 0 411.418 4.099 20 5 HIBDRN CC(C)OCc1ccccc1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000563832459 945308357 /nfs/dbraw/zinc/30/83/57/945308357.db2.gz AVLCVWCHEGMOGM-UHFFFAOYSA-N 0 0 410.474 4.043 20 5 HIBDRN CC(C)OCCCCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000543976922 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COc1cc(Cc2noc(CCCOc3ccc4c(c3)CCC4)n2)ccc1[N+](=O)[O-] ZINC000545049073 940536988 /nfs/dbraw/zinc/53/69/88/940536988.db2.gz XNVLMMGENJHSFF-UHFFFAOYSA-N 0 0 409.442 4.078 20 5 HIBDRN O=[N+]([O-])c1cccc(-n2ccc(-c3nc(Cc4ccccc4OC(F)F)no3)n2)c1 ZINC000545053431 940537539 /nfs/dbraw/zinc/53/75/39/940537539.db2.gz CQHWLMXJYFSHKI-UHFFFAOYSA-N 0 0 413.340 4.023 20 5 HIBDRN C/C=C\c1ccc(OCc2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)c(OC)c1 ZINC000545069568 940538822 /nfs/dbraw/zinc/53/88/22/940538822.db2.gz YGPSCDQGHNJWRE-PLNGDYQASA-N 0 0 411.414 4.198 20 5 HIBDRN COc1cc(/C=C/c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cc(OC)c1OC ZINC000545072260 940539213 /nfs/dbraw/zinc/53/92/13/940539213.db2.gz GNDWELNZJIBSLR-CMDGGOBGSA-N 0 0 411.414 4.073 20 5 HIBDRN Cc1c(Cc2noc(Cn3c4ccccc4nc3C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000545071961 940539265 /nfs/dbraw/zinc/53/92/65/940539265.db2.gz ZQJDPGLFGYVEBL-UHFFFAOYSA-N 0 0 417.347 4.294 20 5 HIBDRN C[C@H](Oc1ccc(F)c(F)c1)c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000545072853 940539350 /nfs/dbraw/zinc/53/93/50/940539350.db2.gz MSRJRJNFKAKHRS-JTQLQIEISA-N 0 0 400.341 4.468 20 5 HIBDRN Cc1cc(Cc2noc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)n2)ccc1[N+](=O)[O-] ZINC000545073347 940539355 /nfs/dbraw/zinc/53/93/55/940539355.db2.gz HCDGEGCRALWNQT-KRWDZBQOSA-N 0 0 421.457 4.289 20 5 HIBDRN Cc1cc(Cc2noc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)n2)ccc1[N+](=O)[O-] ZINC000545073364 940539372 /nfs/dbraw/zinc/53/93/72/940539372.db2.gz HCDGEGCRALWNQT-QGZVFWFLSA-N 0 0 421.457 4.289 20 5 HIBDRN COc1cccc(OC)c1OCc1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000545075166 940539697 /nfs/dbraw/zinc/53/96/97/940539697.db2.gz DHGYIHKDYSLYLC-LBPRGKRZSA-N 0 0 417.443 4.427 20 5 HIBDRN COc1ccc(-c2cnc(CCc3nc(Cc4cccc([N+](=O)[O-])c4C)no3)o2)cc1 ZINC000545076620 940540013 /nfs/dbraw/zinc/54/00/13/940540013.db2.gz CMZIWGKAGYEUDV-UHFFFAOYSA-N 0 0 420.425 4.326 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000545080018 940540471 /nfs/dbraw/zinc/54/04/71/940540471.db2.gz LWEGWXLSZCUGBJ-MDZDMXLPSA-N 0 0 420.404 4.076 20 5 HIBDRN Cc1cc(Cc2noc(-c3cccc(NC(=O)c4cccnc4)c3)n2)ccc1[N+](=O)[O-] ZINC000545144495 940549890 /nfs/dbraw/zinc/54/98/90/940549890.db2.gz UCGSVPUMJIPRDL-UHFFFAOYSA-N 0 0 415.409 4.191 20 5 HIBDRN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccncc2)cs1 ZINC000545155841 940551937 /nfs/dbraw/zinc/55/19/37/940551937.db2.gz YKMOLKRLDMGPBD-LBPRGKRZSA-N 0 0 414.462 4.407 20 5 HIBDRN CC(C)(C(=O)N1CCC(c2c[nH]c3ncccc32)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000545164890 940553119 /nfs/dbraw/zinc/55/31/19/940553119.db2.gz IPBULEMOWYHKEB-UHFFFAOYSA-N 0 0 410.449 4.294 20 5 HIBDRN CC(C)c1noc(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2)n1 ZINC000545179817 940554630 /nfs/dbraw/zinc/55/46/30/940554630.db2.gz KLIQZUVDYWLZFV-UHFFFAOYSA-N 0 0 417.425 4.493 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC([C@@](C)(O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000545247573 940558421 /nfs/dbraw/zinc/55/84/21/940558421.db2.gz KGIMDVZDPCANNQ-GOSISDBHSA-N 0 0 402.413 4.058 20 5 HIBDRN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ncccc12 ZINC000545314385 940561403 /nfs/dbraw/zinc/56/14/03/940561403.db2.gz NELFMEYNSHGHDB-UHFFFAOYSA-N 0 0 409.445 4.350 20 5 HIBDRN Cc1nnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)s1 ZINC000545353736 940564247 /nfs/dbraw/zinc/56/42/47/940564247.db2.gz WMCWCBQUJPEFJY-NSHDSACASA-N 0 0 400.485 4.397 20 5 HIBDRN COCCC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000545445684 940570301 /nfs/dbraw/zinc/57/03/01/940570301.db2.gz IDWRDEJIUDVYSR-UHFFFAOYSA-N 0 0 402.447 4.188 20 5 HIBDRN Cc1cc(Br)cn2cc(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc12 ZINC000545459513 940570933 /nfs/dbraw/zinc/57/09/33/940570933.db2.gz APMBGDZDBOZJEZ-ZDUSSCGKSA-N 0 0 403.280 4.473 20 5 HIBDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3cccs3)n2-c2ccc(Cl)cc2)nc1 ZINC000545473933 940571278 /nfs/dbraw/zinc/57/12/78/940571278.db2.gz JGGALKMHUSMDMZ-UHFFFAOYSA-N 0 0 416.875 4.499 20 5 HIBDRN O=C(NCc1ccco1)c1cccc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)c1 ZINC000545484485 940571720 /nfs/dbraw/zinc/57/17/20/940571720.db2.gz YDNIFVIXBRQKDL-UHFFFAOYSA-N 0 0 417.368 4.331 20 5 HIBDRN Nc1ccc(-c2noc(/C=C/c3ccc(OCc4ccccn4)cc3)n2)cc1[N+](=O)[O-] ZINC000545553191 940574514 /nfs/dbraw/zinc/57/45/14/940574514.db2.gz HWKDQYPXQCLTSP-IZZDOVSWSA-N 0 0 415.409 4.371 20 5 HIBDRN Cc1ccc(-c2noc(CNC(=O)c3ccc(Cl)c(Cl)c3)n2)cc1[N+](=O)[O-] ZINC000545575080 940575487 /nfs/dbraw/zinc/57/54/87/940575487.db2.gz UAPIETAWGZYPCD-UHFFFAOYSA-N 0 0 407.213 4.190 20 5 HIBDRN Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1[N+](=O)[O-] ZINC000545577260 940575630 /nfs/dbraw/zinc/57/56/30/940575630.db2.gz RHTVFIWVVLVFSL-INIZCTEOSA-N 0 0 410.405 4.112 20 5 HIBDRN COc1cccc(Cc2noc(CSCc3ccc(OC)c([N+](=O)[O-])c3)n2)c1 ZINC000545581240 940575772 /nfs/dbraw/zinc/57/57/72/940575772.db2.gz ZSBGRYHOQLGHSH-UHFFFAOYSA-N 0 0 401.444 4.019 20 5 HIBDRN O=[N+]([O-])c1cccc(OCc2nc(Cc3ccc(OCc4ccncc4)cc3)no2)c1 ZINC000545620031 940577626 /nfs/dbraw/zinc/57/76/26/940577626.db2.gz PHYRRUKZSJISHW-UHFFFAOYSA-N 0 0 418.409 4.122 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(Cc4nc5ccccc5n4C(F)F)no3)c2c1 ZINC000545622880 940577767 /nfs/dbraw/zinc/57/77/67/940577767.db2.gz NSLLWHYQXPSZPB-UHFFFAOYSA-N 0 0 424.367 4.386 20 5 HIBDRN COc1ccc(-c2nc(Cc3ccc(F)c(Br)c3)no2)cc1[N+](=O)[O-] ZINC000545669295 940579829 /nfs/dbraw/zinc/57/98/29/940579829.db2.gz NBINRPYUELLBAV-UHFFFAOYSA-N 0 0 408.183 4.146 20 5 HIBDRN O=c1cc(-c2nc(-c3cnc(-c4ccccc4)nc3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000545670887 940579877 /nfs/dbraw/zinc/57/98/77/940579877.db2.gz SLBYLNQRNDDLCD-UHFFFAOYSA-N 0 0 412.365 4.023 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4ccc(OCc5ccccc5)nc4)no3)c2c1 ZINC000545672744 940579954 /nfs/dbraw/zinc/57/99/54/940579954.db2.gz AIWDHARNOYYGDH-UHFFFAOYSA-N 0 0 414.381 4.162 20 5 HIBDRN NC(=O)c1ccc(-c2noc(/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])s3)n2)cn1 ZINC000545673894 940580017 /nfs/dbraw/zinc/58/00/17/940580017.db2.gz JMFOBFRLPHMPMB-JXMROGBWSA-N 0 0 419.422 4.038 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(CCc2nc(-c3ccc(Cl)cc3)no2)n1 ZINC000545688452 940580776 /nfs/dbraw/zinc/58/07/76/940580776.db2.gz MUHLBEOINDLUGC-UHFFFAOYSA-N 0 0 411.805 4.442 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(=O)n(Cc3ccccc3Cl)c2)n1 ZINC000545693964 940581139 /nfs/dbraw/zinc/58/11/39/940581139.db2.gz DLJHPIMZUQJENA-UHFFFAOYSA-N 0 0 422.828 4.484 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(CCCCCNC(=O)NC2CCCCC2)n1 ZINC000545697211 940581291 /nfs/dbraw/zinc/58/12/91/940581291.db2.gz XMMKOPNPYAIHKP-UHFFFAOYSA-N 0 0 415.494 4.298 20 5 HIBDRN O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccc(N4CCCC4)nc3)no2)c1 ZINC000545705195 940581625 /nfs/dbraw/zinc/58/16/25/940581625.db2.gz OAQAUSNXEIKQGK-UHFFFAOYSA-N 0 0 416.235 4.070 20 5 HIBDRN CCc1cccnc1-c1noc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 ZINC000545719260 940582195 /nfs/dbraw/zinc/58/21/95/940582195.db2.gz RAFBBQLOFAEPIE-UHFFFAOYSA-N 0 0 404.430 4.131 20 5 HIBDRN CCOC(=O)c1cc(-c2nc([C@H](C)c3c(F)cccc3F)no2)cc([N+](=O)[O-])c1 ZINC000545719357 940582202 /nfs/dbraw/zinc/58/22/02/940582202.db2.gz WXMLIBILBFWRLD-SNVBAGLBSA-N 0 0 403.341 4.252 20 5 HIBDRN CN(C)c1cc(-c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)c2ccccc2n1 ZINC000545734596 940582914 /nfs/dbraw/zinc/58/29/14/940582914.db2.gz MAAMEKAHMOZTCH-UHFFFAOYSA-N 0 0 414.425 4.331 20 5 HIBDRN COCc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 ZINC000545741581 940583239 /nfs/dbraw/zinc/58/32/39/940583239.db2.gz APBCHZBMABCFSB-UHFFFAOYSA-N 0 0 404.220 4.145 20 5 HIBDRN COc1cc(Cc2noc(-c3cnn(-c4ccc(C)cc4)c3C)n2)ccc1[N+](=O)[O-] ZINC000545760482 940584300 /nfs/dbraw/zinc/58/43/00/940584300.db2.gz FPOVENRQLZAACS-UHFFFAOYSA-N 0 0 405.414 4.047 20 5 HIBDRN CC(C)OCCCc1noc(-c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000545765078 940584585 /nfs/dbraw/zinc/58/45/85/940584585.db2.gz YMOOEKUQOGCSCO-HZPDHXFCSA-N 0 0 402.495 4.485 20 5 HIBDRN COc1cc(Cc2noc(Cc3cc(Br)ccc3F)n2)ccc1[N+](=O)[O-] ZINC000545764983 940584634 /nfs/dbraw/zinc/58/46/34/940584634.db2.gz PFGJOOIRVKDORY-UHFFFAOYSA-N 0 0 422.210 4.070 20 5 HIBDRN Cc1c(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cnn1-c1ccc(F)cc1F ZINC000545776369 940585061 /nfs/dbraw/zinc/58/50/61/940585061.db2.gz QNLZYYKKSVNNNA-UHFFFAOYSA-N 0 0 411.368 4.316 20 5 HIBDRN Cc1c2cc(Br)ccc2oc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000545777730 940585133 /nfs/dbraw/zinc/58/51/33/940585133.db2.gz PAAPUKGQTBNYBR-UHFFFAOYSA-N 0 0 415.203 4.448 20 5 HIBDRN CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000545780750 940588457 /nfs/dbraw/zinc/58/84/57/940588457.db2.gz MJKVXTFZGRNTDW-SFHVURJKSA-N 0 0 405.414 4.397 20 5 HIBDRN O=[N+]([O-])c1ccc(SCc2nc(-c3ccc(OC4CCOCC4)cc3)no2)cc1 ZINC000545789829 940595442 /nfs/dbraw/zinc/59/54/42/940595442.db2.gz VNDQOVCELLUALQ-UHFFFAOYSA-N 0 0 413.455 4.495 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCCS3)no2)c(I)c1 ZINC000545813533 940608203 /nfs/dbraw/zinc/60/82/03/940608203.db2.gz YSCOOYDUYLLHOC-NSHDSACASA-N 0 0 417.228 4.208 20 5 HIBDRN CO[C@H](c1noc(Cc2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1 ZINC000545813584 940608615 /nfs/dbraw/zinc/60/86/15/940608615.db2.gz MAEXTAMZYGVCBD-INIZCTEOSA-N 0 0 404.220 4.067 20 5 HIBDRN CO[C@H](c1noc(-c2ccc([N+](=O)[O-])cc2C)n1)c1ccc(Br)cc1 ZINC000545814406 940609173 /nfs/dbraw/zinc/60/91/73/940609173.db2.gz YJDMPTORVOKKJU-HNNXBMFYSA-N 0 0 404.220 4.452 20 5 HIBDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545825900 940618161 /nfs/dbraw/zinc/61/81/61/940618161.db2.gz COBPTLNUUGFBFI-UHFFFAOYSA-N 0 0 413.449 4.195 20 5 HIBDRN CC(C)(C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000545829916 940619455 /nfs/dbraw/zinc/61/94/55/940619455.db2.gz PJUOHHVQYKCUPM-HNAYVOBHSA-N 0 0 404.413 4.187 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)cc1 ZINC000545852794 940635606 /nfs/dbraw/zinc/63/56/06/940635606.db2.gz MVJUMOWPULFBRZ-UHFFFAOYSA-N 0 0 420.429 4.247 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1nc(Cc2ccc(Br)c(F)c2)no1 ZINC000545853466 940636565 /nfs/dbraw/zinc/63/65/65/940636565.db2.gz ZBNTVUJDYWWASG-UHFFFAOYSA-N 0 0 421.226 4.125 20 5 HIBDRN COCCCOc1cccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000545855677 940638727 /nfs/dbraw/zinc/63/87/27/940638727.db2.gz VOJPCROCMCFQPV-UHFFFAOYSA-N 0 0 408.414 4.132 20 5 HIBDRN Cc1ccccc1C1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000545862033 940641427 /nfs/dbraw/zinc/64/14/27/940641427.db2.gz BOJYHBRNOKQBKS-UHFFFAOYSA-N 0 0 414.477 4.185 20 5 HIBDRN CNc1ccc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC000545863574 940642128 /nfs/dbraw/zinc/64/21/28/940642128.db2.gz JCOPSBILCUKDPC-UHFFFAOYSA-N 0 0 416.275 4.329 20 5 HIBDRN O=[N+]([O-])c1cc(F)cc(Oc2ncnc3cccc(I)c32)c1 ZINC000545872796 940646392 /nfs/dbraw/zinc/64/63/92/940646392.db2.gz SPUPOOXRTBFYFL-UHFFFAOYSA-N 0 0 411.130 4.074 20 5 HIBDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546063270 940687073 /nfs/dbraw/zinc/68/70/73/940687073.db2.gz BKNUUNOYEDNJPW-GFCCVEGCSA-N 0 0 402.394 4.136 20 5 HIBDRN COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000546149483 940713339 /nfs/dbraw/zinc/71/33/39/940713339.db2.gz WNZLHNKLCJZVGF-UHFFFAOYSA-N 0 0 410.430 4.108 20 5 HIBDRN CC[C@H](CC(F)(F)F)NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000546176173 940721781 /nfs/dbraw/zinc/72/17/81/940721781.db2.gz BUAMOQMKFCIDRI-SNVBAGLBSA-N 0 0 416.322 4.056 20 5 HIBDRN O=C(Nc1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cc1)c1ccccc1 ZINC000546241162 940742492 /nfs/dbraw/zinc/74/24/92/940742492.db2.gz XGJHFFFKCHZGLA-UHFFFAOYSA-N 0 0 400.394 4.488 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3nc(-c4ccc5c(c4)OCCO5)no3)cs2)c1 ZINC000546271475 940754901 /nfs/dbraw/zinc/75/49/01/940754901.db2.gz TXBQNUNKGBRNKY-UHFFFAOYSA-N 0 0 408.395 4.207 20 5 HIBDRN O=C1CCCN1Cc1ccccc1-c1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000546283755 940763271 /nfs/dbraw/zinc/76/32/71/940763271.db2.gz FCQAWEKCOPLMLT-CSKARUKUSA-N 0 0 408.389 4.077 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(Cc3ccc(-n4cccn4)cc3)no2)ccc1N1CCCC1 ZINC000546310026 940777031 /nfs/dbraw/zinc/77/70/31/940777031.db2.gz NKEJBCVRKRMCDK-UHFFFAOYSA-N 0 0 416.441 4.022 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc(Cc3c(F)cccc3F)no2)c2ccccc12 ZINC000546312671 940778740 /nfs/dbraw/zinc/77/87/40/940778740.db2.gz SGHROZSLLBSXKQ-UHFFFAOYSA-N 0 0 403.388 4.455 20 5 HIBDRN Cc1c(Cc2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)cccc1[N+](=O)[O-] ZINC000546320702 940782817 /nfs/dbraw/zinc/78/28/17/940782817.db2.gz MJQOERLNXOSCCK-UHFFFAOYSA-N 0 0 404.382 4.389 20 5 HIBDRN COc1ccc(Cc2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1OC ZINC000546360920 940801459 /nfs/dbraw/zinc/80/14/59/940801459.db2.gz JLPHCJXWIADCEA-YHYXMXQVSA-N 0 0 401.806 4.410 20 5 HIBDRN Cc1cc(C(=O)CCc2nc(CCNc3ccccc3[N+](=O)[O-])no2)c(C)s1 ZINC000546376753 940805068 /nfs/dbraw/zinc/80/50/68/940805068.db2.gz IXLVGEDMARKMDB-UHFFFAOYSA-N 0 0 400.460 4.126 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(CCc2ncc(-c3ccccc3)o2)n1 ZINC000546375961 940805101 /nfs/dbraw/zinc/80/51/01/940805101.db2.gz IHVKIEISIKVJST-UHFFFAOYSA-N 0 0 405.414 4.073 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@]2(C)CCCN(C(=O)c3ccccc3)C2)n1 ZINC000546401492 940811260 /nfs/dbraw/zinc/81/12/60/940811260.db2.gz NEORWFCPXGXPHU-QFIPXVFZSA-N 0 0 406.442 4.147 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(CCCOCCc4ccccc4)no3)c2c1 ZINC000546439786 940820393 /nfs/dbraw/zinc/82/03/93/940820393.db2.gz WAIMNEYVIFYKBI-UHFFFAOYSA-N 0 0 406.442 4.242 20 5 HIBDRN C[C@H](CNC(=O)c1ccccc1)c1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000546468077 940828091 /nfs/dbraw/zinc/82/80/91/940828091.db2.gz FSTQUCQZPVKDAQ-KGLIPLIRSA-N 0 0 412.471 4.365 20 5 HIBDRN CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)oc21 ZINC000564020638 945351885 /nfs/dbraw/zinc/35/18/85/945351885.db2.gz NEHMIAUKHDFXAS-ZDUSSCGKSA-N 0 0 404.444 4.088 20 5 HIBDRN COc1ccc(C(=O)CCc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c(Cl)c1 ZINC000546495074 940836333 /nfs/dbraw/zinc/83/63/33/940836333.db2.gz PPTBXSUMRYUDJZ-UHFFFAOYSA-N 0 0 415.833 4.355 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CC=C(c2cccc(Br)c2)CC1 ZINC000546525200 940843537 /nfs/dbraw/zinc/84/35/37/940843537.db2.gz DFMPDKGZNQZUMT-UHFFFAOYSA-N 0 0 417.259 4.052 20 5 HIBDRN CN(Cc1csc(Br)c1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000546539701 940847304 /nfs/dbraw/zinc/84/73/04/940847304.db2.gz SWIPGIIHWLUUBT-UHFFFAOYSA-N 0 0 415.284 4.494 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccccc3C[S@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000546564436 940854377 /nfs/dbraw/zinc/85/43/77/940854377.db2.gz ZBHQMDGVXVJCLG-NDEPHWFRSA-N 0 0 400.456 4.354 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2OC(F)F)cc([N+](=O)[O-])c1 ZINC000546566677 940855019 /nfs/dbraw/zinc/85/50/19/940855019.db2.gz OTDIDMGTSIESQB-UHFFFAOYSA-N 0 0 414.748 4.279 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000546762068 940878461 /nfs/dbraw/zinc/87/84/61/940878461.db2.gz UFANZFVARBFTPT-UHFFFAOYSA-N 0 0 420.263 4.433 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCOCC4(CCC4)C3)cc2[N+](=O)[O-])n1 ZINC000546771151 940880185 /nfs/dbraw/zinc/88/01/85/940880185.db2.gz HOQZACWKWOEHJW-UHFFFAOYSA-N 0 0 419.528 4.154 20 5 HIBDRN Cc1cc(N2CCCC[C@@H]2C)ccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546794153 940884427 /nfs/dbraw/zinc/88/44/27/940884427.db2.gz FQUOJURIRWDZRM-INIZCTEOSA-N 0 0 403.504 4.224 20 5 HIBDRN Cc1cc(Br)cn2cc(CN[C@H](C)c3cccc([N+](=O)[O-])c3C)nc12 ZINC000546873101 940899110 /nfs/dbraw/zinc/89/91/10/940899110.db2.gz PJGYPAPSZBRROB-CYBMUJFWSA-N 0 0 403.280 4.473 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000546884090 940900450 /nfs/dbraw/zinc/90/04/50/940900450.db2.gz UZSFLMMANWIGPB-UHFFFAOYSA-N 0 0 415.780 4.299 20 5 HIBDRN Cc1ccccc1-n1ccnc1SCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000546941784 940920570 /nfs/dbraw/zinc/92/05/70/940920570.db2.gz KOCYVJGSVVEHMV-UHFFFAOYSA-N 0 0 407.455 4.355 20 5 HIBDRN Cc1ccc(-c2noc(-c3ccc(S(=O)(=O)C4CCCC4)cc3)n2)cc1[N+](=O)[O-] ZINC000546975901 940933103 /nfs/dbraw/zinc/93/31/03/940933103.db2.gz VSIOGNOUDWCRRO-UHFFFAOYSA-N 0 0 413.455 4.337 20 5 HIBDRN Cc1ccc(-c2noc(-c3ccc4c(c3)nc3n(c4=O)CCCCC3)n2)cc1[N+](=O)[O-] ZINC000546978247 940935084 /nfs/dbraw/zinc/93/50/84/940935084.db2.gz UYJLLJYXKJKKKK-UHFFFAOYSA-N 0 0 417.425 4.057 20 5 HIBDRN Cc1ccc(-c2noc(CCc3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)n2)cc1F ZINC000546982898 940937799 /nfs/dbraw/zinc/93/77/99/940937799.db2.gz LMYJQOAIIAUQLG-UHFFFAOYSA-N 0 0 409.377 4.236 20 5 HIBDRN COc1cc(-c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)ccc1OC[C@@H]1CCCO1 ZINC000546987237 940940847 /nfs/dbraw/zinc/94/08/47/940940847.db2.gz UQPPKONETSUXMS-CCCPALQASA-N 0 0 423.425 4.382 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(Cc3ccccc3OC(F)F)no2)ccc1OC(F)F ZINC000546994174 940946658 /nfs/dbraw/zinc/94/66/58/940946658.db2.gz TYSSWHSTNJHRCN-UHFFFAOYSA-N 0 0 413.283 4.438 20 5 HIBDRN CN(Cc1nc(Cc2ccc(Br)s2)no1)c1ccccc1[N+](=O)[O-] ZINC000547000708 940949900 /nfs/dbraw/zinc/94/99/00/940949900.db2.gz YBZQYDDHPUSWTO-UHFFFAOYSA-N 0 0 409.265 4.029 20 5 HIBDRN COCC(=O)Nc1ccc(-c2noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 ZINC000547004338 940951467 /nfs/dbraw/zinc/95/14/67/940951467.db2.gz KZNFALDMBHXIHG-UHFFFAOYSA-N 0 0 410.411 4.111 20 5 HIBDRN C[C@@H](Nc1ccc(-c2nc(Cc3ccncc3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000547009214 940954084 /nfs/dbraw/zinc/95/40/84/940954084.db2.gz XRNHUBQHIASGEB-CQSZACIVSA-N 0 0 402.414 4.199 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4c(=O)n3C)n2)cc1[N+](=O)[O-] ZINC000564053367 945363987 /nfs/dbraw/zinc/36/39/87/945363987.db2.gz XVAHNAMDHIHKHL-UHFFFAOYSA-N 0 0 420.450 4.131 20 5 HIBDRN COc1ccc2nc(-c3noc(CCCNc4ccc([N+](=O)[O-])cc4)n3)ccc2c1 ZINC000547043530 940972412 /nfs/dbraw/zinc/97/24/12/940972412.db2.gz GOZNEOLVDASUAJ-UHFFFAOYSA-N 0 0 405.414 4.246 20 5 HIBDRN CCOC(=O)c1cc(-c2nc(-c3ccccc3COC(C)C)no2)cc([N+](=O)[O-])c1 ZINC000547060366 940978417 /nfs/dbraw/zinc/97/84/17/940978417.db2.gz GQZIUSMJAFNUGI-UHFFFAOYSA-N 0 0 411.414 4.414 20 5 HIBDRN CCOc1cc(/C=C\c2nc(CCNc3ccccc3[N+](=O)[O-])no2)ccc1OC ZINC000547083215 940988136 /nfs/dbraw/zinc/98/81/36/940988136.db2.gz RFAMFAHSMKQZMM-LUAWRHEFSA-N 0 0 410.430 4.210 20 5 HIBDRN COc1ccc(Cc2nc(Cc3ccc(F)c(Br)c3)no2)cc1[N+](=O)[O-] ZINC000547086775 940989957 /nfs/dbraw/zinc/98/99/57/940989957.db2.gz GOJJANGIKVSJKA-UHFFFAOYSA-N 0 0 422.210 4.070 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCOc4ccccc43)no2)c(Br)c1 ZINC000547104228 940997203 /nfs/dbraw/zinc/99/72/03/940997203.db2.gz PLBTWEWVMCYUSQ-GFCCVEGCSA-N 0 0 402.204 4.322 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCCN(c3ncnc4sccc43)C2)n1 ZINC000547109981 941000389 /nfs/dbraw/zinc/00/03/89/941000389.db2.gz SEUZLLJQEBWFHC-ZDUSSCGKSA-N 0 0 422.470 4.342 20 5 HIBDRN O=c1cc(-c2nc(Cc3cccc(Cl)c3F)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000547121574 941003409 /nfs/dbraw/zinc/00/34/09/941003409.db2.gz IPTJBPVPMGLMKR-UHFFFAOYSA-N 0 0 400.753 4.282 20 5 HIBDRN CC(C)(C)c1ccc(-c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)cc1[N+](=O)[O-] ZINC000547123045 941003872 /nfs/dbraw/zinc/00/38/72/941003872.db2.gz FMJIKDRWCHXMNF-OAHLLOKOSA-N 0 0 406.442 4.463 20 5 HIBDRN COCCOc1ccc(Cl)cc1-c1noc(/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000547171098 941019706 /nfs/dbraw/zinc/01/97/06/941019706.db2.gz MDYJVAGRWPKODZ-RMKNXTFCSA-N 0 0 401.806 4.494 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc(N(C)c4ccccc4)nc3)n2)ccc1[N+](=O)[O-] ZINC000547171246 941020450 /nfs/dbraw/zinc/02/04/50/941020450.db2.gz CMSXFROBCMUMGB-UHFFFAOYSA-N 0 0 417.425 4.407 20 5 HIBDRN CCO[C@H](Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)C1=CCCC1 ZINC000547175114 941021494 /nfs/dbraw/zinc/02/14/94/941021494.db2.gz FRILPDZVNGUQQV-MRXNPFEDSA-N 0 0 422.279 4.389 20 5 HIBDRN COc1cc(Cc2noc(-c3cccc(Cn4nc(C)cc4C)c3)n2)ccc1[N+](=O)[O-] ZINC000547189338 941025549 /nfs/dbraw/zinc/02/55/49/941025549.db2.gz BMZYUTVCNYJYHU-UHFFFAOYSA-N 0 0 419.441 4.106 20 5 HIBDRN Cc1c(Cc2noc(Cc3cccc(OCc4cccnc4)c3)n2)cccc1[N+](=O)[O-] ZINC000547190693 941025785 /nfs/dbraw/zinc/02/57/85/941025785.db2.gz DEGWEMVZPWBVQZ-UHFFFAOYSA-N 0 0 416.437 4.442 20 5 HIBDRN COc1ccc(/C=C\c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)cc1Cl ZINC000547191584 941026378 /nfs/dbraw/zinc/02/63/78/941026378.db2.gz OUQUEIVNIWGCJW-YVMONPNESA-N 0 0 401.806 4.410 20 5 HIBDRN Cc1c(Cc2noc(-c3cc(-c4ccc5c(c4)CCO5)no3)n2)cccc1[N+](=O)[O-] ZINC000547192227 941026864 /nfs/dbraw/zinc/02/68/64/941026864.db2.gz UFSZVKFFRMMYIO-UHFFFAOYSA-N 0 0 404.382 4.134 20 5 HIBDRN Cc1c(Cc2noc(COc3ccc(Br)cc3)n2)cccc1[N+](=O)[O-] ZINC000547195764 941028229 /nfs/dbraw/zinc/02/82/29/941028229.db2.gz UQLYQWIPLNQRRY-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN CC(C)c1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c2cnn(C(C)C)c2n1 ZINC000547200450 941029777 /nfs/dbraw/zinc/02/97/77/941029777.db2.gz ORHOUKYXZUFQNW-UHFFFAOYSA-N 0 0 407.434 4.080 20 5 HIBDRN COc1ccc(-c2nc(Cc3ccc(Br)cc3C)no2)cc1[N+](=O)[O-] ZINC000547201068 941030186 /nfs/dbraw/zinc/03/01/86/941030186.db2.gz QOWYRQWJGSBGFN-UHFFFAOYSA-N 0 0 404.220 4.315 20 5 HIBDRN Cc1nn(CCc2nc(CCc3c(Cl)cccc3Cl)no2)c(C)c1[N+](=O)[O-] ZINC000547208756 941032734 /nfs/dbraw/zinc/03/27/34/941032734.db2.gz FCCXDDHLGOUGAG-UHFFFAOYSA-N 0 0 410.261 4.126 20 5 HIBDRN CCS(=O)(=O)Cc1noc(-c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000547212558 941034127 /nfs/dbraw/zinc/03/41/27/941034127.db2.gz JZGRPCMWXQEJBZ-UHFFFAOYSA-N 0 0 423.834 4.025 20 5 HIBDRN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1cccc(N2CCCC2=O)c1 ZINC000547233274 941039885 /nfs/dbraw/zinc/03/98/85/941039885.db2.gz DNLSBMCLLGPNSF-CQSZACIVSA-N 0 0 413.449 4.016 20 5 HIBDRN Cc1cc(Cc2noc(C3CCC(NC(=O)C4CCCC4)CC3)n2)ccc1[N+](=O)[O-] ZINC000547263844 941047310 /nfs/dbraw/zinc/04/73/10/941047310.db2.gz QUMLMEBEIVHLOR-UHFFFAOYSA-N 0 0 412.490 4.210 20 5 HIBDRN COc1cccc(C[C@@H]2CCCN2C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000547348496 941057682 /nfs/dbraw/zinc/05/76/82/941057682.db2.gz VDHKCJPIBSRJDR-INIZCTEOSA-N 0 0 403.866 4.174 20 5 HIBDRN C[C@]1(CO)CCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000547359289 941058389 /nfs/dbraw/zinc/05/83/89/941058389.db2.gz ZHCTXOZUJJIUIG-LJQANCHMSA-N 0 0 406.891 4.386 20 5 HIBDRN COc1ccc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c2ncccc12 ZINC000547435523 941062556 /nfs/dbraw/zinc/06/25/56/941062556.db2.gz AZJPXGPQUTWYIV-UHFFFAOYSA-N 0 0 419.340 4.014 20 5 HIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000547724380 941073555 /nfs/dbraw/zinc/07/35/55/941073555.db2.gz ALHDCDWENYLZCH-GFCCVEGCSA-N 0 0 409.286 4.376 20 5 HIBDRN C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1 ZINC000547761848 941075206 /nfs/dbraw/zinc/07/52/06/941075206.db2.gz NICKKZNZDJLEJL-QGZVFWFLSA-N 0 0 402.450 4.288 20 5 HIBDRN CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000548092896 941086404 /nfs/dbraw/zinc/08/64/04/941086404.db2.gz DEUZROBNKQWYLQ-UHFFFAOYSA-N 0 0 416.861 4.213 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c1 ZINC000548119969 941087499 /nfs/dbraw/zinc/08/74/99/941087499.db2.gz JUNIZTLTHLZEBC-QGZVFWFLSA-N 0 0 411.227 4.083 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)cc1[N+](=O)[O-] ZINC000548283641 941093725 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0 422.819 4.462 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)cc2cccnc21 ZINC000552265675 941617379 /nfs/dbraw/zinc/61/73/79/941617379.db2.gz IEXCSGZLPVHASA-UHFFFAOYSA-N 0 0 414.259 4.220 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000552272039 941619764 /nfs/dbraw/zinc/61/97/64/941619764.db2.gz CBJUNHBQFNJQND-OAQYLSRUSA-N 0 0 404.413 4.452 20 5 HIBDRN CCOc1cc(Cl)ccc1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552276198 941620380 /nfs/dbraw/zinc/62/03/80/941620380.db2.gz OQWZUQWLXMJAQI-IBGZPJMESA-N 0 0 400.866 4.260 20 5 HIBDRN O=C(NCCCCc1ccc(Cl)s1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000552314889 941629774 /nfs/dbraw/zinc/62/97/74/941629774.db2.gz SVKTXRFXCBCODO-UHFFFAOYSA-N 0 0 414.936 4.147 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000552333073 941634350 /nfs/dbraw/zinc/63/43/50/941634350.db2.gz SBQSWGGFFVVKCS-LBPRGKRZSA-N 0 0 408.380 4.235 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)c2cnn(CCO)c2-c2ccccc2)cc1[N+](=O)[O-] ZINC000552396732 941657290 /nfs/dbraw/zinc/65/72/90/941657290.db2.gz FNAGPTCZZSEMCH-UHFFFAOYSA-N 0 0 408.458 4.000 20 5 HIBDRN CCNc1ccc(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000552606573 941719623 /nfs/dbraw/zinc/71/96/23/941719623.db2.gz CBVYLMGWYNMKEW-UHFFFAOYSA-N 0 0 411.380 4.240 20 5 HIBDRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000552636861 941728220 /nfs/dbraw/zinc/72/82/20/941728220.db2.gz AMXGPSICAYCIKB-WFASDCNBSA-N 0 0 422.865 4.300 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000552704815 941740754 /nfs/dbraw/zinc/74/07/54/941740754.db2.gz SKDSAXSNWNANFZ-UHFFFAOYSA-N 0 0 418.500 4.481 20 5 HIBDRN CC1=NN(c2ccc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)cc2)CC1 ZINC000552742932 941750023 /nfs/dbraw/zinc/75/00/23/941750023.db2.gz CMQZXWIVMVBZMI-UHFFFAOYSA-N 0 0 403.236 4.196 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CC(C)(C)[C@@H]3c3cccnc3)cc2[N+](=O)[O-])CC1 ZINC000552741560 941750293 /nfs/dbraw/zinc/75/02/93/941750293.db2.gz CYFSLGHNBOAIGE-NRFANRHFSA-N 0 0 408.502 4.449 20 5 HIBDRN CSc1cccc(C(=O)NC[C@H](NCc2ccccc2)c2ccco2)c1[N+](=O)[O-] ZINC000552872806 941794998 /nfs/dbraw/zinc/79/49/98/941794998.db2.gz JDLOWNWVPNVTED-KRWDZBQOSA-N 0 0 411.483 4.171 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000552960049 941808743 /nfs/dbraw/zinc/80/87/43/941808743.db2.gz BTVJMUFQLQQAFX-KCZVDYSFSA-N 0 0 402.454 4.189 20 5 HIBDRN C[C@]12CCN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000552963346 941809542 /nfs/dbraw/zinc/80/95/42/941809542.db2.gz DZAXEFKEZJZVFN-QUCCMNQESA-N 0 0 401.413 4.324 20 5 HIBDRN O=C(Nc1nc2c(s1)CSCC2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000552976373 941811584 /nfs/dbraw/zinc/81/15/84/941811584.db2.gz ZPHGKJHAZQNUGO-UHFFFAOYSA-N 0 0 404.498 4.216 20 5 HIBDRN CCc1nc(CN2CCC(CNc3ccc([N+](=O)[O-])c(C(C)=O)c3)CC2)cs1 ZINC000553057433 941825835 /nfs/dbraw/zinc/82/58/35/941825835.db2.gz CUMAUKJOWVFWGS-UHFFFAOYSA-N 0 0 402.520 4.140 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1(c2ccc(Br)s2)CCC1 ZINC000553066070 941827808 /nfs/dbraw/zinc/82/78/08/941827808.db2.gz JIIWAGCLDNGMQW-UHFFFAOYSA-N 0 0 409.305 4.199 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ncnc3sc([N+](=O)[O-])cc31)O[C@H](C)C2 ZINC000553075329 941828963 /nfs/dbraw/zinc/82/89/63/941828963.db2.gz HDFZGEKPPZSBAJ-IFUGULHKSA-N 0 0 412.471 4.290 20 5 HIBDRN NC(=O)c1cccc(NCc2cc(Cl)cc(Cl)c2OC(F)F)c1[N+](=O)[O-] ZINC000553108500 941834253 /nfs/dbraw/zinc/83/42/53/941834253.db2.gz MSEWLJKZWDVUKB-UHFFFAOYSA-N 0 0 406.172 4.214 20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000553146600 941840698 /nfs/dbraw/zinc/84/06/98/941840698.db2.gz VMXWPIRQKGTAAV-UHFFFAOYSA-N 0 0 418.862 4.208 20 5 HIBDRN O=C1[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CCN1c1ccc(Cl)c(Cl)c1 ZINC000553185541 941846237 /nfs/dbraw/zinc/84/62/37/941846237.db2.gz YYVFZSCGZBMQBL-LBPRGKRZSA-N 0 0 424.269 4.124 20 5 HIBDRN O=C1[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CCN1c1ccc(Cl)c(Cl)c1 ZINC000553185540 941846326 /nfs/dbraw/zinc/84/63/26/941846326.db2.gz YYVFZSCGZBMQBL-GFCCVEGCSA-N 0 0 424.269 4.124 20 5 HIBDRN Cn1c(Cc2cccs2)nc2cc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000553207866 941849466 /nfs/dbraw/zinc/84/94/66/941849466.db2.gz FDQKWHQPSJSJHS-UHFFFAOYSA-N 0 0 420.494 4.106 20 5 HIBDRN CCOC(=O)C(C)(C)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000553212699 941849986 /nfs/dbraw/zinc/84/99/86/941849986.db2.gz SVOAKSMRDFGXKB-UHFFFAOYSA-N 0 0 416.396 4.055 20 5 HIBDRN COC(=O)c1cc(C(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2OC)cc([N+](=O)[O-])c1 ZINC000553235663 941854166 /nfs/dbraw/zinc/85/41/66/941854166.db2.gz QFFQISZIYBQSHW-AUUYWEPGSA-N 0 0 412.442 4.003 20 5 HIBDRN CSc1ccc(C(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1[N+](=O)[O-] ZINC000553289657 941861572 /nfs/dbraw/zinc/86/15/72/941861572.db2.gz DVHNKGDHIXGUEB-UHFFFAOYSA-N 0 0 406.435 4.266 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000553320771 941866789 /nfs/dbraw/zinc/86/67/89/941866789.db2.gz QLPAPQJRNXIOJT-INIZCTEOSA-N 0 0 406.891 4.464 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000553332308 941868744 /nfs/dbraw/zinc/86/87/44/941868744.db2.gz WZRNUPKKIUGKFG-NSHDSACASA-N 0 0 413.352 4.199 20 5 HIBDRN COc1ccc(C(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000553381317 941876894 /nfs/dbraw/zinc/87/68/94/941876894.db2.gz TXCMXLZYDRKAKO-XIKOKIGWSA-N 0 0 424.375 4.224 20 5 HIBDRN Cc1c(CC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000553382335 941877199 /nfs/dbraw/zinc/87/71/99/941877199.db2.gz MQNRRDFNZJZTQI-DJJJIMSYSA-N 0 0 422.403 4.453 20 5 HIBDRN C[C@H](C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000553432798 941883804 /nfs/dbraw/zinc/88/38/04/941883804.db2.gz WGJPECHZASAOSX-DYZYQPBXSA-N 0 0 415.248 4.384 20 5 HIBDRN CCOC(=O)c1cc(COC)cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000553467778 941890303 /nfs/dbraw/zinc/89/03/03/941890303.db2.gz PZWYRBSPZGRZIT-ZDUSSCGKSA-N 0 0 418.471 4.037 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(C(=O)CCOc3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000553474125 941891195 /nfs/dbraw/zinc/89/11/95/941891195.db2.gz YKVPFPKKXHVISQ-UHFFFAOYSA-N 0 0 412.486 4.359 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(N[C@H](c3cncc(Br)c3)C3CC3)c21 ZINC000553590075 941915410 /nfs/dbraw/zinc/91/54/10/941915410.db2.gz UAUBGJPTTKOGMC-INIZCTEOSA-N 0 0 400.236 4.259 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c(Br)c1 ZINC000553591735 941915526 /nfs/dbraw/zinc/91/55/26/941915526.db2.gz QLFLOJFFRIUDNZ-HNNXBMFYSA-N 0 0 402.170 4.106 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000553683334 941943583 /nfs/dbraw/zinc/94/35/83/941943583.db2.gz ZLKWTJYXGOLLRP-KRWDZBQOSA-N 0 0 403.866 4.346 20 5 HIBDRN CC(C)(NC(=O)Cn1c2ccccc2nc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000553709839 941949100 /nfs/dbraw/zinc/94/91/00/941949100.db2.gz RVQNWJXKJRHTKD-UHFFFAOYSA-N 0 0 406.364 4.015 20 5 HIBDRN O=C(Cc1noc(CSc2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(Cl)cc1 ZINC000553719188 941951431 /nfs/dbraw/zinc/95/14/31/941951431.db2.gz GSDYLCCHIUEJSP-UHFFFAOYSA-N 0 0 404.835 4.105 20 5 HIBDRN CNc1ccc(C(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000553721870 941951996 /nfs/dbraw/zinc/95/19/96/941951996.db2.gz LBYBKMNHKWKBCS-XIKOKIGWSA-N 0 0 423.391 4.258 20 5 HIBDRN CC(C)(NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000553724885 941953086 /nfs/dbraw/zinc/95/30/86/941953086.db2.gz FLQIYHWSQJZZPN-UHFFFAOYSA-N 0 0 420.347 4.329 20 5 HIBDRN CSCc1ccc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)cc1 ZINC000553728321 941953618 /nfs/dbraw/zinc/95/36/18/941953618.db2.gz MIBGBMVXQKFOMA-UHFFFAOYSA-N 0 0 416.890 4.269 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000553734313 941954955 /nfs/dbraw/zinc/95/49/55/941954955.db2.gz KKFYIFYWBSBYNL-UHFFFAOYSA-N 0 0 411.433 4.390 20 5 HIBDRN COC(=O)c1cc(C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000553779357 941966113 /nfs/dbraw/zinc/96/61/13/941966113.db2.gz DFBMNDQQELOTJZ-GFCCVEGCSA-N 0 0 424.375 4.103 20 5 HIBDRN Cc1c(NC(=O)CCN2CCCC[C@@H]2c2nnc(C3CCC3)o2)cccc1[N+](=O)[O-] ZINC000553925624 942000823 /nfs/dbraw/zinc/00/08/23/942000823.db2.gz UHIUFKRAHPEQLD-GOSISDBHSA-N 0 0 413.478 4.110 20 5 HIBDRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000554004945 942017744 /nfs/dbraw/zinc/01/77/44/942017744.db2.gz YPBOHAQMLIOPIM-UHFFFAOYSA-N 0 0 423.469 4.321 20 5 HIBDRN Cc1ccc(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1[N+](=O)[O-] ZINC000554059620 942027451 /nfs/dbraw/zinc/02/74/51/942027451.db2.gz OMKBTBNPIXJIQF-GFCCVEGCSA-N 0 0 411.384 4.067 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000554104544 942037007 /nfs/dbraw/zinc/03/70/07/942037007.db2.gz IGWCOQHMXFEVEP-OAQYLSRUSA-N 0 0 421.501 4.346 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)C1CCCC1 ZINC000554537597 942165339 /nfs/dbraw/zinc/16/53/39/942165339.db2.gz AQJLRJPNIXIYJT-HNNXBMFYSA-N 0 0 416.499 4.362 20 5 HIBDRN CC(C)(CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000554718974 942210901 /nfs/dbraw/zinc/21/09/01/942210901.db2.gz QOFJXJCMXQHPII-UHFFFAOYSA-N 0 0 404.332 4.410 20 5 HIBDRN COc1ccc(Cc2nnc(SCc3cccc([N+](=O)[O-])c3C)o2)cc1OC ZINC000554733712 942214355 /nfs/dbraw/zinc/21/43/55/942214355.db2.gz GTXDQNZMZPSFBT-UHFFFAOYSA-N 0 0 401.444 4.187 20 5 HIBDRN O=C(CCCOc1ccccc1Cl)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000554734844 942215556 /nfs/dbraw/zinc/21/55/56/942215556.db2.gz QWFMIXCVIPDKCW-UHFFFAOYSA-N 0 0 401.850 4.247 20 5 HIBDRN Cc1cc(Br)ccc1CN(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000554746390 942220247 /nfs/dbraw/zinc/22/02/47/942220247.db2.gz XSLCSPZKQXDMNT-UHFFFAOYSA-N 0 0 413.218 4.145 20 5 HIBDRN Cc1cc(F)cc(-c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 ZINC000554792401 942241630 /nfs/dbraw/zinc/24/16/30/942241630.db2.gz HESQJNHBQAHYFC-GOSISDBHSA-N 0 0 410.405 4.378 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc(NC(=O)NC(C)C)cc3)no2)c1 ZINC000554799462 942244637 /nfs/dbraw/zinc/24/46/37/942244637.db2.gz ZKSOMMMGUJFCKC-UHFFFAOYSA-N 0 0 411.418 4.240 20 5 HIBDRN O=C(NCc1ccc(Oc2cccc(Cl)c2Cl)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000554857654 942292798 /nfs/dbraw/zinc/29/27/98/942292798.db2.gz QDZMNBVHNUHYOJ-UHFFFAOYSA-N 0 0 407.213 4.347 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000554865555 942299178 /nfs/dbraw/zinc/29/91/78/942299178.db2.gz OBVMWGXXKUIYOL-OAQYLSRUSA-N 0 0 419.437 4.103 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)c1 ZINC000554908533 942315520 /nfs/dbraw/zinc/31/55/20/942315520.db2.gz MREJPHQJVZQQBE-NSHDSACASA-N 0 0 403.382 4.350 20 5 HIBDRN COC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)c(C)c([N+](=O)[O-])c1 ZINC000554941632 942326215 /nfs/dbraw/zinc/32/62/15/942326215.db2.gz QHJYVERKSJVIBT-ZDUSSCGKSA-N 0 0 412.442 4.271 20 5 HIBDRN Cc1cc(NC(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000554959014 942334248 /nfs/dbraw/zinc/33/42/48/942334248.db2.gz JSLRUCAIWKKPTR-HNNXBMFYSA-N 0 0 405.454 4.454 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1 ZINC000554962447 942335500 /nfs/dbraw/zinc/33/55/00/942335500.db2.gz SCSSCXUAODYJCX-UHFFFAOYSA-N 0 0 420.347 4.450 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)c1 ZINC000554971241 942338280 /nfs/dbraw/zinc/33/82/80/942338280.db2.gz OIWNLIFIOIXRFV-HOCLYGCPSA-N 0 0 405.248 4.042 20 5 HIBDRN CCc1nnc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)s1 ZINC000554980401 942342015 /nfs/dbraw/zinc/34/20/15/942342015.db2.gz AIBLYGSSXIPDCR-UHFFFAOYSA-N 0 0 423.292 4.321 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@](F)(c2ccccc2F)C1 ZINC000554986218 942343917 /nfs/dbraw/zinc/34/39/17/942343917.db2.gz WCVSDOWOMMQQPU-HXPMCKFVSA-N 0 0 410.804 4.252 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 ZINC000555021377 942360077 /nfs/dbraw/zinc/36/00/77/942360077.db2.gz RCISUQTYRHHFGV-UHFFFAOYSA-N 0 0 407.474 4.229 20 5 HIBDRN Cc1cc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nn1C1CCCCC1 ZINC000555126633 942393408 /nfs/dbraw/zinc/39/34/08/942393408.db2.gz BCHNEHXNVUANPE-ZDUSSCGKSA-N 0 0 405.886 4.697 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCOc3ccc(Br)cc3C2)c1 ZINC000555203437 942430840 /nfs/dbraw/zinc/43/08/40/942430840.db2.gz HLBQQYUKXBWLDW-UHFFFAOYSA-N 0 0 423.288 4.114 20 5 HIBDRN C[C@H](c1ccccc1F)N1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1=O ZINC000555208205 942432537 /nfs/dbraw/zinc/43/25/37/942432537.db2.gz BBXRFPNDRPXVDT-WBMJQRKESA-N 0 0 423.391 4.499 20 5 HIBDRN CC(C)NC(=O)c1ccc(N2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000555243422 942443363 /nfs/dbraw/zinc/44/33/63/942443363.db2.gz SUWRPSPJOXCTFC-KRWDZBQOSA-N 0 0 403.866 4.044 20 5 HIBDRN COc1cc(N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c(F)cc1[N+](=O)[O-] ZINC000555244349 942444154 /nfs/dbraw/zinc/44/41/54/942444154.db2.gz HPBKFOMWEDWNMF-WBMJQRKESA-N 0 0 405.401 4.046 20 5 HIBDRN O=C(NCc1ccc(Br)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555261885 942452230 /nfs/dbraw/zinc/45/22/30/942452230.db2.gz CZSIKGVCASSTNP-UHFFFAOYSA-N 0 0 409.183 4.368 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000555302118 942467897 /nfs/dbraw/zinc/46/78/97/942467897.db2.gz PNOOCDOONRWIBK-UONOGXRCSA-N 0 0 400.232 4.125 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000555511954 942616546 /nfs/dbraw/zinc/61/65/46/942616546.db2.gz ZYOHEDYZUYIYQN-QGZVFWFLSA-N 0 0 406.280 4.488 20 5 HIBDRN COc1ccc(COC[C@H](O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 ZINC000555564171 942645357 /nfs/dbraw/zinc/64/53/57/942645357.db2.gz BHOGEPIZAPBYRF-KRWDZBQOSA-N 0 0 415.467 4.288 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OC[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000555566825 942647343 /nfs/dbraw/zinc/64/73/43/942647343.db2.gz UJYFUPRFHIOHMF-FQEVSTJZSA-N 0 0 409.438 4.149 20 5 HIBDRN C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-n2cccn2)c(F)c1 ZINC000555590833 942658416 /nfs/dbraw/zinc/65/84/16/942658416.db2.gz FCGHQRVLUNLMJR-KGLIPLIRSA-N 0 0 422.420 4.381 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000555601426 942664175 /nfs/dbraw/zinc/66/41/75/942664175.db2.gz QHDGKNVLTNMRRC-QFYYESIMSA-N 0 0 423.819 4.007 20 5 HIBDRN O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555755852 942721641 /nfs/dbraw/zinc/72/16/41/942721641.db2.gz MEIQPIYLUYIPIP-KRWDZBQOSA-N 0 0 407.392 4.399 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000555854378 942754851 /nfs/dbraw/zinc/75/48/51/942754851.db2.gz XEKLWGDIRUHARV-BBRMVZONSA-N 0 0 409.280 4.030 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000555884473 942765752 /nfs/dbraw/zinc/76/57/52/942765752.db2.gz AJPRPZGYGZORPC-OAHLLOKOSA-N 0 0 418.291 4.382 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(-c2cccc(F)c2Br)n1 ZINC000556290398 942833946 /nfs/dbraw/zinc/83/39/46/942833946.db2.gz FPDPNOJWGYPRHI-UHFFFAOYSA-N 0 0 407.199 4.201 20 5 HIBDRN CNc1ccc(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] ZINC000556475814 942879179 /nfs/dbraw/zinc/87/91/79/942879179.db2.gz OBMODXWMTITYSB-UHFFFAOYSA-N 0 0 402.863 4.343 20 5 HIBDRN COc1ccc(C2(CN[C@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)CCC2)cc1 ZINC000556889722 942951787 /nfs/dbraw/zinc/95/17/87/942951787.db2.gz FAKAMVNOUMXTTO-NRFANRHFSA-N 0 0 406.486 4.138 20 5 HIBDRN COc1ccc(C2(CN[C@@H](c3nccn3C)c3cccc([N+](=O)[O-])c3)CCC2)cc1 ZINC000556889723 942953249 /nfs/dbraw/zinc/95/32/49/942953249.db2.gz FAKAMVNOUMXTTO-OAQYLSRUSA-N 0 0 406.486 4.138 20 5 HIBDRN Cn1ccnc1[C@H](N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556891099 942954308 /nfs/dbraw/zinc/95/43/08/942954308.db2.gz AKDIWXFUVADWLQ-HLAWJBBLSA-N 0 0 410.449 4.067 20 5 HIBDRN CC(C)c1c(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cnn1-c1ccc(Cl)cc1 ZINC000556953784 942978181 /nfs/dbraw/zinc/97/81/81/942978181.db2.gz HCFQHMXNEKHKIO-UHFFFAOYSA-N 0 0 424.848 4.686 20 5 HIBDRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000556995912 942990405 /nfs/dbraw/zinc/99/04/05/942990405.db2.gz YZLYROWNLVJBPD-KGLIPLIRSA-N 0 0 401.429 4.130 20 5 HIBDRN COc1cc(CNc2cccc(-c3nnc4n3CCCCC4)c2)c([N+](=O)[O-])cc1OC ZINC000557028939 942999223 /nfs/dbraw/zinc/99/92/23/942999223.db2.gz VJOMDUVVXFCLKO-UHFFFAOYSA-N 0 0 423.473 4.209 20 5 HIBDRN COc1nc2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2s1 ZINC000557041334 943002465 /nfs/dbraw/zinc/00/24/65/943002465.db2.gz AUWUTXOKZUKDAC-UHFFFAOYSA-N 0 0 412.471 4.068 20 5 HIBDRN Cc1c(CC(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000557059851 943008856 /nfs/dbraw/zinc/00/88/56/943008856.db2.gz XQLOQZPBSGABBD-HXUWFJFHSA-N 0 0 402.878 4.383 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000557255607 943062185 /nfs/dbraw/zinc/06/21/85/943062185.db2.gz OTAGACXZSMMEQR-UHFFFAOYSA-N 0 0 410.257 4.311 20 5 HIBDRN CC(C)c1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000557367296 943089209 /nfs/dbraw/zinc/08/92/09/943089209.db2.gz UWIBULJXJQUJDS-UHFFFAOYSA-N 0 0 406.236 4.058 20 5 HIBDRN O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000557482913 943158022 /nfs/dbraw/zinc/15/80/22/943158022.db2.gz CSTULMDKNJXXHL-UHFFFAOYSA-N 0 0 413.437 4.286 20 5 HIBDRN CC[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)OCCO2 ZINC000557483781 943161070 /nfs/dbraw/zinc/16/10/70/943161070.db2.gz UVTROGVAYKKKSG-SUMWQHHRSA-N 0 0 410.430 4.218 20 5 HIBDRN CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccc(Br)cc21 ZINC000557582296 943219314 /nfs/dbraw/zinc/21/93/14/943219314.db2.gz MFLMTEYASSMEQK-UHFFFAOYSA-N 0 0 416.231 4.200 20 5 HIBDRN COc1cc(OC)cc(Oc2ccc(CNc3cccc(C(N)=O)c3[N+](=O)[O-])cc2)c1 ZINC000557690009 943259541 /nfs/dbraw/zinc/25/95/41/943259541.db2.gz HVVAECMDZUDQRB-UHFFFAOYSA-N 0 0 423.425 4.115 20 5 HIBDRN Cc1cc(NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000557721099 943269441 /nfs/dbraw/zinc/26/94/41/943269441.db2.gz IZJANNBQJPHQOS-UHFFFAOYSA-N 0 0 413.865 4.150 20 5 HIBDRN CC(C)C[C@@H](C)Oc1cc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])ccn1 ZINC000557854638 943313319 /nfs/dbraw/zinc/31/33/19/943313319.db2.gz LWEXWLQFSYDYLZ-QGZVFWFLSA-N 0 0 414.506 4.187 20 5 HIBDRN Cc1cccc([C@@H](NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C(C)(C)C)c1 ZINC000557929258 943331148 /nfs/dbraw/zinc/33/11/48/943331148.db2.gz LQIGBLNVQQDCOO-OAQYLSRUSA-N 0 0 423.513 4.298 20 5 HIBDRN C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2n[nH]cc2c1 ZINC000558019168 943357081 /nfs/dbraw/zinc/35/70/81/943357081.db2.gz AKZIXTBVPVZQFC-JTQLQIEISA-N 0 0 407.352 4.050 20 5 HIBDRN CCc1nn(C)c(N2CCc3nc(-c4ccccc4Cl)sc3C2)c1[N+](=O)[O-] ZINC000558028220 943360380 /nfs/dbraw/zinc/36/03/80/943360380.db2.gz HJPACTGTAUADLF-UHFFFAOYSA-N 0 0 403.895 4.230 20 5 HIBDRN C[C@](CO)(NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(O)c1 ZINC000558205808 943431133 /nfs/dbraw/zinc/43/11/33/943431133.db2.gz REOLXLYKEXJKFO-JOCHJYFZSA-N 0 0 423.425 4.122 20 5 HIBDRN Cc1nc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(Cl)cc2)no1 ZINC000558226361 943445234 /nfs/dbraw/zinc/44/52/34/943445234.db2.gz OKSALNJUFXEBKD-INIZCTEOSA-N 0 0 401.810 4.159 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000558303178 943493910 /nfs/dbraw/zinc/49/39/10/943493910.db2.gz LZKXTEKEBOICNZ-SFHVURJKSA-N 0 0 400.500 4.243 20 5 HIBDRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C ZINC000558432664 943557639 /nfs/dbraw/zinc/55/76/39/943557639.db2.gz AOMRFKYMSFLFNI-AWEZNQCLSA-N 0 0 411.437 4.171 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000558513048 943582776 /nfs/dbraw/zinc/58/27/76/943582776.db2.gz CDRMJLAYRXVJSU-HKUYNNGSSA-N 0 0 404.417 4.002 20 5 HIBDRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000558596779 943613517 /nfs/dbraw/zinc/61/35/17/943613517.db2.gz KZXNZKVWFNZSSY-SJKOYZFVSA-N 0 0 417.425 4.311 20 5 HIBDRN C[C@H](C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000558694597 943629441 /nfs/dbraw/zinc/62/94/41/943629441.db2.gz ISQXUGNZPSBRJA-UGSOOPFHSA-N 0 0 408.376 4.317 20 5 HIBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cc1 ZINC000558777775 943658281 /nfs/dbraw/zinc/65/82/81/943658281.db2.gz VZHWBXAKYDNMEG-QGZVFWFLSA-N 0 0 414.405 4.184 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)ccc1[N+](=O)[O-] ZINC000558798030 943667749 /nfs/dbraw/zinc/66/77/49/943667749.db2.gz VGGXEWMMSCSFPQ-UHFFFAOYSA-N 0 0 410.430 4.018 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1 ZINC000558804007 943670117 /nfs/dbraw/zinc/67/01/17/943670117.db2.gz SLRKYDNDDDFECW-UHFFFAOYSA-N 0 0 419.437 4.176 20 5 HIBDRN CCc1nc2cc(CNC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)ccc2n1C1CC1 ZINC000558812253 943673877 /nfs/dbraw/zinc/67/38/77/943673877.db2.gz FNUSPXLGQBEPAL-CYBMUJFWSA-N 0 0 410.449 4.401 20 5 HIBDRN O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000558814034 943674542 /nfs/dbraw/zinc/67/45/42/943674542.db2.gz QZVWYLJNIMFQKQ-UHFFFAOYSA-N 0 0 400.662 4.496 20 5 HIBDRN Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000558850741 943699984 /nfs/dbraw/zinc/69/99/84/943699984.db2.gz WKHGTHVUPUWWGX-UHFFFAOYSA-N 0 0 420.404 4.302 20 5 HIBDRN CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000558853567 943701549 /nfs/dbraw/zinc/70/15/49/943701549.db2.gz CFLWSTDWVSSLSA-UHFFFAOYSA-N 0 0 402.458 4.366 20 5 HIBDRN CCCCN(C)C(=O)C1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000558890761 943723893 /nfs/dbraw/zinc/72/38/93/943723893.db2.gz UYCQAHLEHRNBRS-UHFFFAOYSA-N 0 0 401.429 4.397 20 5 HIBDRN CC(=O)NCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(C)s1 ZINC000559072353 943825696 /nfs/dbraw/zinc/82/56/96/943825696.db2.gz GBVNJAHHPYPTJR-UHFFFAOYSA-N 0 0 413.499 4.363 20 5 HIBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000559095718 943836804 /nfs/dbraw/zinc/83/68/04/943836804.db2.gz HWYFUVILZDCCOB-UTKZUKDTSA-N 0 0 421.501 4.476 20 5 HIBDRN CCOC(=O)c1sc([C@H](C)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)nc1C ZINC000559151294 943854219 /nfs/dbraw/zinc/85/42/19/943854219.db2.gz GSDSSNAGDJZLMY-JTQLQIEISA-N 0 0 417.409 4.406 20 5 HIBDRN CC(C)(C)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)C1 ZINC000559210484 943873349 /nfs/dbraw/zinc/87/33/49/943873349.db2.gz HXMFFAKCDANNJL-WMZOPIPTSA-N 0 0 413.522 4.152 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000559314767 943894950 /nfs/dbraw/zinc/89/49/50/943894950.db2.gz WYGVBFSHZRJUBF-GTNSWQLSSA-N 0 0 414.384 4.138 20 5 HIBDRN CC(=O)c1cc(NCCC(=O)Nc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000559587407 944013357 /nfs/dbraw/zinc/01/33/57/944013357.db2.gz CGZPHVQSIRTZQW-UHFFFAOYSA-N 0 0 406.236 4.001 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1csc(-c2ccccn2)n1 ZINC000559620089 944018051 /nfs/dbraw/zinc/01/80/51/944018051.db2.gz PUDMKQYMEHECRU-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000559973941 944106014 /nfs/dbraw/zinc/10/60/14/944106014.db2.gz FDQCATUNNMXQGH-UHFFFAOYSA-N 0 0 422.268 4.122 20 5 HIBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](c2ccc(F)cc2)O1 ZINC000560000573 944124126 /nfs/dbraw/zinc/12/41/26/944124126.db2.gz XEMKRKPEWXKWLI-PIGZYNQJSA-N 0 0 412.339 4.355 20 5 HIBDRN Cc1c(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000560090059 944155459 /nfs/dbraw/zinc/15/54/59/944155459.db2.gz LQXVTWBRHXQSKE-KRWDZBQOSA-N 0 0 419.279 4.011 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000560116195 944164890 /nfs/dbraw/zinc/16/48/90/944164890.db2.gz IGACUXDUFYHUGN-GFCCVEGCSA-N 0 0 409.202 4.469 20 5 HIBDRN O=C(CCc1nc(-c2cccs2)no1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560128995 944170269 /nfs/dbraw/zinc/17/02/69/944170269.db2.gz CAJJSTORYWUFQB-UHFFFAOYSA-N 0 0 423.248 4.040 20 5 HIBDRN CCN(CC)C(=O)c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000560131474 944171341 /nfs/dbraw/zinc/17/13/41/944171341.db2.gz ZOMFUHOEKDQVRS-UHFFFAOYSA-N 0 0 420.263 4.092 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000560514964 944239964 /nfs/dbraw/zinc/23/99/64/944239964.db2.gz SEOOCMFFCWSYJH-SFHVURJKSA-N 0 0 420.391 4.149 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000560725692 944311826 /nfs/dbraw/zinc/31/18/26/944311826.db2.gz FOFHISVMGCOVMB-UHFFFAOYSA-N 0 0 403.410 4.311 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000560725263 944312006 /nfs/dbraw/zinc/31/20/06/944312006.db2.gz WJDXRVLCLKAUCW-UHFFFAOYSA-N 0 0 409.467 4.223 20 5 HIBDRN CC(C)Oc1cc(Br)ccc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000560993455 944389788 /nfs/dbraw/zinc/38/97/88/944389788.db2.gz PFKWCKTUPCPDTK-UHFFFAOYSA-N 0 0 421.291 4.459 20 5 HIBDRN O=C(Nc1ncc(-c2cccnc2)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000561019150 944397536 /nfs/dbraw/zinc/39/75/36/944397536.db2.gz UNCJHGGUJFTOIS-UHFFFAOYSA-N 0 0 409.452 4.489 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ncc(-c2ccccn2)s1 ZINC000561024581 944400371 /nfs/dbraw/zinc/40/03/71/944400371.db2.gz XJOWGKXPSRWDNT-UHFFFAOYSA-N 0 0 404.835 4.174 20 5 HIBDRN COc1cc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000561064544 944423783 /nfs/dbraw/zinc/42/37/83/944423783.db2.gz AEOYRLPRQAPYEB-XIKOKIGWSA-N 0 0 424.375 4.224 20 5 HIBDRN C[C@]1(c2ccccc2)CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000561071697 944428973 /nfs/dbraw/zinc/42/89/73/944428973.db2.gz ATNRQLNFMDTDGY-QHCPKHFHSA-N 0 0 405.454 4.433 20 5 HIBDRN CN(C(=O)c1cnn(Cc2ccccc2)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000561188548 944506418 /nfs/dbraw/zinc/50/64/18/944506418.db2.gz BDHNYFPCKMEEJZ-UHFFFAOYSA-N 0 0 419.466 4.240 20 5 HIBDRN COC(=O)c1cc(C)nc(N[C@@H](Cc2ccc(C)cc2)c2ccccn2)c1[N+](=O)[O-] ZINC000561228177 944520575 /nfs/dbraw/zinc/52/05/75/944520575.db2.gz NHPMOWAMGGIOTL-IBGZPJMESA-N 0 0 406.442 4.184 20 5 HIBDRN Cn1ccc([C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)n1 ZINC000561269219 944534708 /nfs/dbraw/zinc/53/47/08/944534708.db2.gz NUSRZNYEEIQZIC-HNNXBMFYSA-N 0 0 400.851 4.188 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000561324292 944551232 /nfs/dbraw/zinc/55/12/32/944551232.db2.gz HAEWYELXNKPSAN-LLVKDONJSA-N 0 0 420.292 4.053 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@@H](COC(F)F)C1 ZINC000561336409 944555525 /nfs/dbraw/zinc/55/55/25/944555525.db2.gz FSUJXWYCXJBDJQ-CYBMUJFWSA-N 0 0 408.426 4.447 20 5 HIBDRN Cc1c(Cl)cccc1N1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000561346203 944557499 /nfs/dbraw/zinc/55/74/99/944557499.db2.gz NWQHWAIFCZGLSP-UHFFFAOYSA-N 0 0 403.895 4.278 20 5 HIBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000561394416 944576477 /nfs/dbraw/zinc/57/64/77/944576477.db2.gz UNCNYICBBJEDQD-JTQLQIEISA-N 0 0 424.433 4.013 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCC2(c3ccccc3Br)CCC2)c1[N+](=O)[O-] ZINC000561410895 944586349 /nfs/dbraw/zinc/58/63/49/944586349.db2.gz ZEGULCIDFGNMCN-UHFFFAOYSA-N 0 0 421.295 4.056 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000561489362 944630892 /nfs/dbraw/zinc/63/08/92/944630892.db2.gz ASDDONUKZBJGLD-QGZVFWFLSA-N 0 0 409.364 4.444 20 5 HIBDRN COc1ccccc1[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000561497090 944635997 /nfs/dbraw/zinc/63/59/97/944635997.db2.gz FMZDQYFULUXMPT-GOSISDBHSA-N 0 0 402.834 4.340 20 5 HIBDRN COc1ccccc1[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000561497091 944636518 /nfs/dbraw/zinc/63/65/18/944636518.db2.gz FMZDQYFULUXMPT-SFHVURJKSA-N 0 0 402.834 4.340 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])cc2)n1 ZINC000561543307 944665424 /nfs/dbraw/zinc/66/54/24/944665424.db2.gz QUUBEPHEUKPADR-SFHVURJKSA-N 0 0 422.485 4.352 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2ccncc2OCc2ccccc2)cc1[N+](=O)[O-] ZINC000561584341 944688700 /nfs/dbraw/zinc/68/87/00/944688700.db2.gz SFQQCEODBGXFGZ-KRWDZBQOSA-N 0 0 420.469 4.438 20 5 HIBDRN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000561647473 944726083 /nfs/dbraw/zinc/72/60/83/944726083.db2.gz TXJUHUYCQMTSCU-GFCCVEGCSA-N 0 0 411.487 4.276 20 5 HIBDRN CC(=O)N(c1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1)[C@H]1C[C@H]1C ZINC000561647561 944726313 /nfs/dbraw/zinc/72/63/13/944726313.db2.gz CRERIJFXVPCLGG-ASSNKEHSSA-N 0 0 406.442 4.019 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)cc1[N+](=O)[O-] ZINC000561676122 944741968 /nfs/dbraw/zinc/74/19/68/944741968.db2.gz JYPQSQRLSUWYJW-UHFFFAOYSA-N 0 0 403.822 4.129 20 5 HIBDRN Cc1c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1F ZINC000561706997 944755222 /nfs/dbraw/zinc/75/52/22/944755222.db2.gz NJYMOTYYLDDZQS-UHFFFAOYSA-N 0 0 400.385 4.032 20 5 HIBDRN Cc1sc(C2(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CCC2)nc1-c1ccccc1F ZINC000561726723 944765710 /nfs/dbraw/zinc/76/57/10/944765710.db2.gz MGBDQASRQPPPQR-UHFFFAOYSA-N 0 0 400.435 4.303 20 5 HIBDRN Cn1cc(-c2noc(-c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)n2)cn1 ZINC000561749078 944777015 /nfs/dbraw/zinc/77/70/15/944777015.db2.gz ZNDPUXVBVJOCEN-UHFFFAOYSA-N 0 0 410.821 4.311 20 5 HIBDRN Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2C)c1 ZINC000561782429 944794872 /nfs/dbraw/zinc/79/48/72/944794872.db2.gz CRGQPJWLBQKSNC-CQSZACIVSA-N 0 0 411.487 4.126 20 5 HIBDRN CN(C(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)c1ccc([N+](=O)[O-])nc1 ZINC000561792053 944797847 /nfs/dbraw/zinc/79/78/47/944797847.db2.gz KVUBIBOWPWWYCQ-UHFFFAOYSA-N 0 0 407.817 4.259 20 5 HIBDRN CCc1cc(C2CC2)nc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000561793531 944798074 /nfs/dbraw/zinc/79/80/74/944798074.db2.gz INVIXCFQGCVOON-CQSZACIVSA-N 0 0 409.490 4.313 20 5 HIBDRN Cc1cc(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc([N+](=O)[O-])c1 ZINC000561845971 944820364 /nfs/dbraw/zinc/82/03/64/944820364.db2.gz LTPLEHSKYOGOPP-QGZVFWFLSA-N 0 0 410.348 4.016 20 5 HIBDRN COC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)sc1C(C)C ZINC000561897232 944843768 /nfs/dbraw/zinc/84/37/68/944843768.db2.gz RRARXHUEQKEWOQ-UHFFFAOYSA-N 0 0 417.365 4.232 20 5 HIBDRN C[C@H](c1nc(-c2ccc(C(=O)N3CCC[C@@H]3C)cc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000561909482 944851510 /nfs/dbraw/zinc/85/15/10/944851510.db2.gz KUQGIMQUTKIGBV-GJZGRUSLSA-N 0 0 406.442 4.421 20 5 HIBDRN CC1(C)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]1c1cccs1 ZINC000561957103 944875746 /nfs/dbraw/zinc/87/57/46/944875746.db2.gz LIWNCKWEODZMBC-MRXNPFEDSA-N 0 0 424.320 4.440 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-c2cccnc2)cc1 ZINC000562261554 945049266 /nfs/dbraw/zinc/04/92/66/945049266.db2.gz KLQRVYVRTDUIMY-UHFFFAOYSA-N 0 0 415.453 4.180 20 5 HIBDRN COC(=O)C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000562301136 945055732 /nfs/dbraw/zinc/05/57/32/945055732.db2.gz SSKOXYRVIDVFHJ-SJCJKPOMSA-N 0 0 424.375 4.138 20 5 HIBDRN COc1ccc(-c2cnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2C)cc1 ZINC000564120364 945387725 /nfs/dbraw/zinc/38/77/25/945387725.db2.gz LVNODJVCALBCQZ-UHFFFAOYSA-N 0 0 408.439 4.471 20 5 HIBDRN Cc1ccc(-c2noc(C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000564231205 945446694 /nfs/dbraw/zinc/44/66/94/945446694.db2.gz LGJNGLOVFYQNSN-UHFFFAOYSA-N 0 0 421.862 4.316 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(NC(=O)CC4CCCC4)cc3)no2)n1 ZINC000564246758 945463392 /nfs/dbraw/zinc/46/33/92/945463392.db2.gz MMJZZTVZJMODFW-UHFFFAOYSA-N 0 0 410.434 4.047 20 5 HIBDRN CCOC(=O)c1c(C)onc1CSc1nc2cc3ccccc3cc2c(=O)n1CC ZINC000564255947 945473929 /nfs/dbraw/zinc/47/39/29/945473929.db2.gz IOVSOWSVXNUTSC-UHFFFAOYSA-N 0 0 423.494 4.335 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CN(c1nnc(Cc3ccc(Cl)cc3)s1)CCO2 ZINC000564261286 945478910 /nfs/dbraw/zinc/47/89/10/945478910.db2.gz MLBFLSCOIAHUTA-UHFFFAOYSA-N 0 0 402.863 4.090 20 5 HIBDRN O=C(c1cccc(F)c1Br)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000564355577 945524361 /nfs/dbraw/zinc/52/43/61/945524361.db2.gz HSYWIRFCKPHUAC-MRXNPFEDSA-N 0 0 411.252 4.384 20 5 HIBDRN Cc1ccc(C(=O)CCC(=O)CCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000564481327 945613621 /nfs/dbraw/zinc/61/36/21/945613621.db2.gz LXGJXBSLNCBKHR-UHFFFAOYSA-N 0 0 416.499 4.328 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000564491348 945621356 /nfs/dbraw/zinc/62/13/56/945621356.db2.gz YGLWGXORBVEFPX-KRWDZBQOSA-N 0 0 422.268 4.416 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000564493794 945622808 /nfs/dbraw/zinc/62/28/08/945622808.db2.gz BEQQXMFNGVVHGW-INIZCTEOSA-N 0 0 404.854 4.195 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000564493809 945623772 /nfs/dbraw/zinc/62/37/72/945623772.db2.gz BEQQXMFNGVVHGW-MRXNPFEDSA-N 0 0 404.854 4.195 20 5 HIBDRN Cc1ccc([C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])c2ccc(F)cc2Cl)cc1 ZINC000564556901 945675059 /nfs/dbraw/zinc/67/50/59/945675059.db2.gz BEOZLMODAUDXSK-QGZVFWFLSA-N 0 0 414.824 4.391 20 5 HIBDRN O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000564693329 945733679 /nfs/dbraw/zinc/73/36/79/945733679.db2.gz PPFWGBKXWJUMGR-RDJZCZTQSA-N 0 0 421.375 4.074 20 5 HIBDRN Cc1cccnc1C(C)(C)CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000564694124 945733787 /nfs/dbraw/zinc/73/37/87/945733787.db2.gz ZEKABIXMMNPWCI-UHFFFAOYSA-N 0 0 410.396 4.094 20 5 HIBDRN CCCOc1ccc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC(F)F)c1 ZINC000564720093 945740005 /nfs/dbraw/zinc/74/00/05/945740005.db2.gz RJDRXXOZCMDWKI-ZDUSSCGKSA-N 0 0 408.401 4.405 20 5 HIBDRN COc1ccc(N([C@@H](C)C2CC2)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000565389012 945822621 /nfs/dbraw/zinc/82/26/21/945822621.db2.gz LUBNULZRWOIFGB-LBPRGKRZSA-N 0 0 410.879 4.251 20 5 HIBDRN COc1ccc(NC(=O)c2nc3ccccc3cc2Br)c([N+](=O)[O-])c1 ZINC000565473223 945836756 /nfs/dbraw/zinc/83/67/56/945836756.db2.gz QAPMVOORVQVMQB-UHFFFAOYSA-N 0 0 402.204 4.166 20 5 HIBDRN Cc1ccc(-c2nc(C)c(C(=O)NCCc3c[nH]c4ccc([N+](=O)[O-])cc34)s2)o1 ZINC000565622996 945857255 /nfs/dbraw/zinc/85/72/55/945857255.db2.gz WHOZESOSULTCCZ-UHFFFAOYSA-N 0 0 410.455 4.382 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000565688006 945868428 /nfs/dbraw/zinc/86/84/28/945868428.db2.gz OLERNUCCMUNTMJ-LJQANCHMSA-N 0 0 415.877 4.142 20 5 HIBDRN C[C@@H]1[C@H](C)SCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 ZINC000565748739 945879552 /nfs/dbraw/zinc/87/95/52/945879552.db2.gz HHMBZLNOTWBKMP-CVEARBPZSA-N 0 0 409.515 4.232 20 5 HIBDRN CCCN(Cc1c(F)cccc1Cl)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000565861887 945898232 /nfs/dbraw/zinc/89/82/32/945898232.db2.gz OPNNLRGQJZEVKY-UHFFFAOYSA-N 0 0 400.859 4.129 20 5 HIBDRN CC(C)C1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)CC1 ZINC000566022709 945974158 /nfs/dbraw/zinc/97/41/58/945974158.db2.gz SQPSKXGORLMWCF-KRWDZBQOSA-N 0 0 413.522 4.152 20 5 HIBDRN Cc1c(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cccc1-c1ccccn1 ZINC000566032355 945981302 /nfs/dbraw/zinc/98/13/02/945981302.db2.gz CYVNKKNBLRENPS-UHFFFAOYSA-N 0 0 400.438 4.419 20 5 HIBDRN CC[C@@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(Cl)s1 ZINC000566060078 945997792 /nfs/dbraw/zinc/99/77/92/945997792.db2.gz OWDPHWFBAXUNDS-OAHLLOKOSA-N 0 0 421.906 4.068 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3ccccc3Oc3cnccn3)no2)c1 ZINC000566528212 946032482 /nfs/dbraw/zinc/03/24/82/946032482.db2.gz OGXZQYDINXEJMA-UHFFFAOYSA-N 0 0 405.370 4.293 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000566696466 946074224 /nfs/dbraw/zinc/07/42/24/946074224.db2.gz RCOLEBPJNLMTID-KRWDZBQOSA-N 0 0 401.438 4.220 20 5 HIBDRN Cc1cc(Cc2noc([C@H]3CCCN3c3ncnc4sccc43)n2)ccc1[N+](=O)[O-] ZINC000566704483 946077251 /nfs/dbraw/zinc/07/72/51/946077251.db2.gz SAEVDHACWDTTJV-MRXNPFEDSA-N 0 0 422.470 4.223 20 5 HIBDRN COCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1OC)c1ccc(Cl)c(Cl)c1 ZINC000566989497 946203516 /nfs/dbraw/zinc/20/35/16/946203516.db2.gz HJWJMAMQIULLHG-HNNXBMFYSA-N 0 0 413.257 4.418 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000566995130 946207316 /nfs/dbraw/zinc/20/73/16/946207316.db2.gz TUEHOALLLUBVAV-INIZCTEOSA-N 0 0 424.682 4.312 20 5 HIBDRN O=C(NCCOc1ncc(Cl)cc1Cl)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000567000991 946211293 /nfs/dbraw/zinc/21/12/93/946211293.db2.gz BWDKFNYENMSGIA-UHFFFAOYSA-N 0 0 424.162 4.124 20 5 HIBDRN C[C@H](C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000567042019 946227563 /nfs/dbraw/zinc/22/75/63/946227563.db2.gz VQQQGROHFBHFKP-UONOGXRCSA-N 0 0 404.850 4.406 20 5 HIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2ccc(Br)cc2C1 ZINC000567069468 946231912 /nfs/dbraw/zinc/23/19/12/946231912.db2.gz HFSWMJUFYFOFAZ-UHFFFAOYSA-N 0 0 400.232 4.037 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC(=O)OC)c1ccc(SC)cc1 ZINC000567203590 946271633 /nfs/dbraw/zinc/27/16/33/946271633.db2.gz WFBKUVVCQGYIBB-SFHVURJKSA-N 0 0 417.487 4.305 20 5 HIBDRN C[C@H](c1nc(C2(NC(=O)c3ccccc3)CCCC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000567255053 946278757 /nfs/dbraw/zinc/27/87/57/946278757.db2.gz HLQABJLFBAPSJL-HNNXBMFYSA-N 0 0 406.442 4.329 20 5 HIBDRN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000567267365 946284478 /nfs/dbraw/zinc/28/44/78/946284478.db2.gz TZWPPUSUWSCNBI-NSHDSACASA-N 0 0 423.395 4.080 20 5 HIBDRN Cc1ccccc1NC(=O)Cc1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000567368844 946316515 /nfs/dbraw/zinc/31/65/15/946316515.db2.gz IJMXECXVYLHJLP-LBPRGKRZSA-N 0 0 416.821 4.261 20 5 HIBDRN O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000567384470 946320292 /nfs/dbraw/zinc/32/02/92/946320292.db2.gz GFKGZOSMKCRZMN-CYBMUJFWSA-N 0 0 410.348 4.292 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC000567389454 946321383 /nfs/dbraw/zinc/32/13/83/946321383.db2.gz HZHVLYQGZWVPKZ-HNNXBMFYSA-N 0 0 401.422 4.439 20 5 HIBDRN COc1cc2c(cc1Cl)CN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])CC2 ZINC000567421804 946333506 /nfs/dbraw/zinc/33/35/06/946333506.db2.gz GGYUXIHCTNETCW-UHFFFAOYSA-N 0 0 422.890 4.186 20 5 HIBDRN CC[C@@](C)(NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000567437094 946340688 /nfs/dbraw/zinc/34/06/88/946340688.db2.gz AFVZCFBWISKOGS-CYBMUJFWSA-N 0 0 401.307 4.263 20 5 HIBDRN CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000567516177 946356512 /nfs/dbraw/zinc/35/65/12/946356512.db2.gz FTGXOIJQNMIKGF-OAHLLOKOSA-N 0 0 424.400 4.437 20 5 HIBDRN CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000567909288 946424244 /nfs/dbraw/zinc/42/42/44/946424244.db2.gz OWNMAOUHOPBAMV-MRXNPFEDSA-N 0 0 421.295 4.250 20 5 HIBDRN Cc1cccc(Br)c1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568378961 946528875 /nfs/dbraw/zinc/52/88/75/946528875.db2.gz AOXQBYATTDVVSB-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000568406398 946531709 /nfs/dbraw/zinc/53/17/09/946531709.db2.gz FGBFUECBYRZTSX-SFHVURJKSA-N 0 0 421.400 4.364 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000568453557 946558373 /nfs/dbraw/zinc/55/83/73/946558373.db2.gz BBQOMJPRKORYAN-JLBUNGTFSA-N 0 0 415.877 4.263 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCc3ccc(Br)cc3C2)cc1[N+](=O)[O-] ZINC000568523228 946577000 /nfs/dbraw/zinc/57/70/00/946577000.db2.gz XIOQVAKVSNPJGW-CYBMUJFWSA-N 0 0 418.291 4.495 20 5 HIBDRN COC(=O)COc1ccc(CN2CC[C@H](C(F)(F)F)c3ccccc32)cc1[N+](=O)[O-] ZINC000568671461 946646598 /nfs/dbraw/zinc/64/65/98/946646598.db2.gz AVGBHMFWTXWBBX-HNNXBMFYSA-N 0 0 424.375 4.203 20 5 HIBDRN COc1cc(OC)cc(C2(F)CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000568903975 946741628 /nfs/dbraw/zinc/74/16/28/946741628.db2.gz UYLZBAIRTWUFHY-UHFFFAOYSA-N 0 0 415.421 4.214 20 5 HIBDRN CSC[C@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000569135770 946821003 /nfs/dbraw/zinc/82/10/03/946821003.db2.gz JADINHKHOQTBHN-BBWFWOEESA-N 0 0 405.564 4.292 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000569266087 946844989 /nfs/dbraw/zinc/84/49/89/946844989.db2.gz QRFDMHQXSUKGJC-UHFFFAOYSA-N 0 0 401.344 4.183 20 5 HIBDRN COC(=O)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000569273650 946847051 /nfs/dbraw/zinc/84/70/51/946847051.db2.gz XZULXLIMPZFIPT-UHFFFAOYSA-N 0 0 420.531 4.292 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)c1ccccc1Cl ZINC000569283084 946849048 /nfs/dbraw/zinc/84/90/48/946849048.db2.gz ZMWXTQSEVPBKOB-ZDUSSCGKSA-N 0 0 408.907 4.255 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000569300991 946855578 /nfs/dbraw/zinc/85/55/78/946855578.db2.gz DJVNLJRMQXFLMX-JTQLQIEISA-N 0 0 406.320 4.406 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(-c2nc(Cc3ccc(OC)c(OC(F)F)c3)no2)c1 ZINC000569738042 946965835 /nfs/dbraw/zinc/96/58/35/946965835.db2.gz XVIMLLPGYSMTPH-UHFFFAOYSA-N 0 0 421.356 4.244 20 5 HIBDRN O=C(Nc1cnc(CC2CC2)nc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000569753286 946984048 /nfs/dbraw/zinc/98/40/48/946984048.db2.gz RFCISORZXCRQRN-UHFFFAOYSA-N 0 0 403.442 4.202 20 5 HIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000569773430 947002293 /nfs/dbraw/zinc/00/22/93/947002293.db2.gz VDQPTYOVPGYGJC-NRFANRHFSA-N 0 0 408.479 4.072 20 5 HIBDRN COC[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000569844587 947017735 /nfs/dbraw/zinc/01/77/35/947017735.db2.gz DEXVQNSZVQEGCP-QGZVFWFLSA-N 0 0 414.849 4.012 20 5 HIBDRN O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(CCCCN4CCOCC4)n3)cc2)c1 ZINC000569854636 947020027 /nfs/dbraw/zinc/02/00/27/947020027.db2.gz PIVJNBXUIZCOLL-UHFFFAOYSA-N 0 0 424.457 4.092 20 5 HIBDRN COC[C@@H](N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)c1ccc(C)o1 ZINC000569856509 947021878 /nfs/dbraw/zinc/02/18/78/947021878.db2.gz TWEDINMFLJBSHX-DENIHFKCSA-N 0 0 423.469 4.462 20 5 HIBDRN COc1ccccc1O[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000569874836 947028680 /nfs/dbraw/zinc/02/86/80/947028680.db2.gz PDUILZQAQRNDKU-AWEZNQCLSA-N 0 0 424.375 4.306 20 5 HIBDRN CN(C(=O)COc1c(Cl)cc(Cl)c2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000569890562 947037853 /nfs/dbraw/zinc/03/78/53/947037853.db2.gz ODSDXTNKBWKXKT-UHFFFAOYSA-N 0 0 406.225 4.492 20 5 HIBDRN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F ZINC000570076632 947086358 /nfs/dbraw/zinc/08/63/58/947086358.db2.gz BLUYYVCFTCLPGU-SNVBAGLBSA-N 0 0 413.268 4.466 20 5 HIBDRN O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570120517 947099937 /nfs/dbraw/zinc/09/99/37/947099937.db2.gz WSDAONSTBQZLCI-MRXNPFEDSA-N 0 0 417.874 4.225 20 5 HIBDRN 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ZINC000012686679 845884267 /nfs/dbraw/zinc/88/42/67/845884267.db2.gz ROVGIMROFCSWEH-UHFFFAOYSA-N 0 0 405.712 4.354 20 5 HIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(-c2ccncc2)nc2ccccc21 ZINC000012734586 845886606 /nfs/dbraw/zinc/88/66/06/845886606.db2.gz KXQLSVUQKLJDMW-UHFFFAOYSA-N 0 0 413.437 4.047 20 5 HIBDRN COc1ccc(C(=O)C2CCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)cc1 ZINC000012739095 845887940 /nfs/dbraw/zinc/88/79/40/845887940.db2.gz PVMPETGQRLVXSQ-UHFFFAOYSA-N 0 0 414.483 4.060 20 5 HIBDRN O=C(CSc1n[nH]c(C=Cc2ccccc2)n1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000012834705 845893215 /nfs/dbraw/zinc/89/32/15/845893215.db2.gz MSZAHFTVAVGUEM-RMKNXTFCSA-N 0 0 415.862 4.268 20 5 HIBDRN CC[C@H](C)c1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012904872 845897234 /nfs/dbraw/zinc/89/72/34/845897234.db2.gz YILDCOCHMVVOBO-LSDHHAIUSA-N 0 0 400.431 4.058 20 5 HIBDRN Cc1cccc(CCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000012936789 845897810 /nfs/dbraw/zinc/89/78/10/845897810.db2.gz BSQGHGHEDBKPRX-UHFFFAOYSA-N 0 0 410.348 4.037 20 5 HIBDRN Cc1cc(C2=N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000013927067 845918673 /nfs/dbraw/zinc/91/86/73/845918673.db2.gz NVOCPJRERBCZFV-BOPFTXTBSA-N 0 0 419.349 4.416 20 5 HIBDRN CCOc1c(Cl)cc(/C=C2\N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)cc1OC ZINC000013927110 845918710 /nfs/dbraw/zinc/91/87/10/845918710.db2.gz LUULELNKHCZNFF-DHDCSXOGSA-N 0 0 416.817 4.308 20 5 HIBDRN Cc1cc(C2=N/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000013927126 845918771 /nfs/dbraw/zinc/91/87/71/845918771.db2.gz OSNHMLMEUXCBFA-WJDWOHSUSA-N 0 0 419.349 4.416 20 5 HIBDRN COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)cc1Br ZINC000013927063 845918787 /nfs/dbraw/zinc/91/87/87/845918787.db2.gz PCGOUYYUTAXXPO-ZROIWOOFSA-N 0 0 417.215 4.019 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000014321362 845936656 /nfs/dbraw/zinc/93/66/56/845936656.db2.gz QRZRAAGBNMVUBL-OAHLLOKOSA-N 0 0 406.442 4.301 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000014375854 845942576 /nfs/dbraw/zinc/94/25/76/845942576.db2.gz IMJZULRSPCSNHW-OAQYLSRUSA-N 0 0 420.465 4.490 20 5 HIBDRN Cc1c2ccccc2oc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000014377397 845944137 /nfs/dbraw/zinc/94/41/37/845944137.db2.gz PTRWFELNDURYDI-QGZVFWFLSA-N 0 0 410.426 4.462 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000014574677 845958924 /nfs/dbraw/zinc/95/89/24/845958924.db2.gz IBXKUBCEQSAJSK-LLVKDONJSA-N 0 0 410.348 4.281 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1[N+](=O)[O-] ZINC000014710207 845973189 /nfs/dbraw/zinc/97/31/89/845973189.db2.gz UBIMAMLTYOQXCF-UHFFFAOYSA-N 0 0 410.455 4.414 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000014735841 845976826 /nfs/dbraw/zinc/97/68/26/845976826.db2.gz SIJMRPLPQBHILV-UHFFFAOYSA-N 0 0 404.728 4.293 20 5 HIBDRN COCCN(C(=O)c1cc(F)cc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000014790463 845980253 /nfs/dbraw/zinc/98/02/53/845980253.db2.gz PCJGMLCYDLSQNL-UHFFFAOYSA-N 0 0 419.409 4.290 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCn1ccc2ccccc21 ZINC000014815305 845983459 /nfs/dbraw/zinc/98/34/59/845983459.db2.gz LRDCDQDGCYESFZ-UHFFFAOYSA-N 0 0 409.489 4.316 20 5 HIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000014834090 845985366 /nfs/dbraw/zinc/98/53/66/845985366.db2.gz TWKGQUWHVJUTJE-UHFFFAOYSA-N 0 0 414.418 4.018 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc([N+](=O)[O-])c1 ZINC000014910328 845992417 /nfs/dbraw/zinc/99/24/17/845992417.db2.gz BPRAVBBZDCFHOX-UHFFFAOYSA-N 0 0 422.441 4.100 20 5 HIBDRN COc1ccccc1CNC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000015127850 846012083 /nfs/dbraw/zinc/01/20/83/846012083.db2.gz HZKPNRSGKOKPNA-UHFFFAOYSA-N 0 0 406.442 4.075 20 5 HIBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCCOC(C)C)c([N+](=O)[O-])c1 ZINC000015131361 846012418 /nfs/dbraw/zinc/01/24/18/846012418.db2.gz CAAABCOAXARDRD-UHFFFAOYSA-N 0 0 421.519 4.037 20 5 HIBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Oc1ccc(F)c(F)c1 ZINC000015172495 846015648 /nfs/dbraw/zinc/01/56/48/846015648.db2.gz QQFPPDQSKVTBGK-UHFFFAOYSA-N 0 0 412.414 4.230 20 5 HIBDRN COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000015365407 846041310 /nfs/dbraw/zinc/04/13/10/846041310.db2.gz WJVGSHRQGNNQIP-UHFFFAOYSA-N 0 0 419.286 4.039 20 5 HIBDRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000015417950 846046014 /nfs/dbraw/zinc/04/60/14/846046014.db2.gz CHSHGJLDPNHHBF-SFHVURJKSA-N 0 0 410.518 4.176 20 5 HIBDRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015443129 846049366 /nfs/dbraw/zinc/04/93/66/846049366.db2.gz NUABXOHAKFZZHQ-SFHVURJKSA-N 0 0 410.518 4.176 20 5 HIBDRN COc1ccc(Cl)cc1CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015551122 846061773 /nfs/dbraw/zinc/06/17/73/846061773.db2.gz KTPRVABFAWQXER-NSHDSACASA-N 0 0 412.273 4.369 20 5 HIBDRN COc1cc(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)ccc1C ZINC000015602876 846071353 /nfs/dbraw/zinc/07/13/53/846071353.db2.gz YSDAHVQHSULJEH-UHFFFAOYSA-N 0 0 406.394 4.383 20 5 HIBDRN COc1ccc(C(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc1[N+](=O)[O-] ZINC000015616308 846074189 /nfs/dbraw/zinc/07/41/89/846074189.db2.gz NRIOHWJFBKANCM-UHFFFAOYSA-N 0 0 422.384 4.018 20 5 HIBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000015651255 846080588 /nfs/dbraw/zinc/08/05/88/846080588.db2.gz ZONZXDLQGREQRO-ZDUSSCGKSA-N 0 0 400.431 4.085 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000015714226 846087196 /nfs/dbraw/zinc/08/71/96/846087196.db2.gz WMSZTVFHLPHIGC-OAHLLOKOSA-N 0 0 420.421 4.454 20 5 HIBDRN O=C(c1ccccc1COc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015759439 846089994 /nfs/dbraw/zinc/08/99/94/846089994.db2.gz JSTKSPVEJUXESA-UHFFFAOYSA-N 0 0 417.465 4.136 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000015829978 846097880 /nfs/dbraw/zinc/09/78/80/846097880.db2.gz PFJPJIDONKGYQC-LJQANCHMSA-N 0 0 411.458 4.164 20 5 HIBDRN COc1cccc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000015923922 846104368 /nfs/dbraw/zinc/10/43/68/846104368.db2.gz ZGCWHECKCPQWBI-UHFFFAOYSA-N 0 0 400.378 4.031 20 5 HIBDRN Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000015984323 846107247 /nfs/dbraw/zinc/10/72/47/846107247.db2.gz RJTNLUGBSYMHIM-UHFFFAOYSA-N 0 0 419.437 4.372 20 5 HIBDRN Cc1ccc(OCC(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1C ZINC000016014889 846113506 /nfs/dbraw/zinc/11/35/06/846113506.db2.gz DHGAICGEHJOLDM-UHFFFAOYSA-N 0 0 424.457 4.078 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1Cl ZINC000016096288 846123867 /nfs/dbraw/zinc/12/38/67/846123867.db2.gz JHBWEOBZMQBUNO-UHFFFAOYSA-N 0 0 405.657 4.120 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000016144706 846129537 /nfs/dbraw/zinc/12/95/37/846129537.db2.gz AHWOJAZKQMVGQO-INIZCTEOSA-N 0 0 422.384 4.009 20 5 HIBDRN COC(=O)c1cc(C(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)cc([N+](=O)[O-])c1 ZINC000016176123 846134379 /nfs/dbraw/zinc/13/43/79/846134379.db2.gz JAYIENNPHJWTPU-HXUWFJFHSA-N 0 0 412.442 4.148 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c1 ZINC000016197155 846137521 /nfs/dbraw/zinc/13/75/21/846137521.db2.gz LRUQLCXAQMVZBH-NSHDSACASA-N 0 0 408.863 4.463 20 5 HIBDRN COc1ccc(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)cc1 ZINC000016458938 846174462 /nfs/dbraw/zinc/17/44/62/846174462.db2.gz XQIMCKGSNCQDKA-UHFFFAOYSA-N 0 0 420.465 4.232 20 5 HIBDRN COc1ccc([C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2nccn2C)cc1 ZINC000016475562 846177674 /nfs/dbraw/zinc/17/76/74/846177674.db2.gz GRAABYFLSMWEFD-LJQANCHMSA-N 0 0 422.466 4.071 20 5 HIBDRN Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016601014 846189794 /nfs/dbraw/zinc/18/97/94/846189794.db2.gz FQAFJBNGLSHZIB-UHFFFAOYSA-N 0 0 414.512 4.051 20 5 HIBDRN O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000016640742 846192570 /nfs/dbraw/zinc/19/25/70/846192570.db2.gz YQMXLBSLXQOJEE-UHFFFAOYSA-N 0 0 418.449 4.318 20 5 HIBDRN O=C(Nc1ccccc1OC(F)(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016724856 846201006 /nfs/dbraw/zinc/20/10/06/846201006.db2.gz XUMZALJVMVRERW-UHFFFAOYSA-N 0 0 409.364 4.349 20 5 HIBDRN COc1ccc(NC(=O)[C@H](OC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000016753467 846206173 /nfs/dbraw/zinc/20/61/73/846206173.db2.gz CQHQTNOWRSAFTH-JOCHJYFZSA-N 0 0 420.421 4.069 20 5 HIBDRN O=C(OCc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016919502 846220543 /nfs/dbraw/zinc/22/05/43/846220543.db2.gz WKWPEOODRUGDNK-UHFFFAOYSA-N 0 0 418.449 4.344 20 5 HIBDRN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1 ZINC000016959444 846222398 /nfs/dbraw/zinc/22/23/98/846222398.db2.gz WEHKLXASUARTOC-UHFFFAOYSA-N 0 0 408.410 4.443 20 5 HIBDRN 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O=C(Nc1ccc(-c2ncon2)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436347002 861663727 /nfs/dbraw/zinc/66/37/27/861663727.db2.gz UYXNKFYZEPLNTI-UHFFFAOYSA-N 0 0 418.359 4.262 20 5 HIBDRN CC(C)CNc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000018663735 846336327 /nfs/dbraw/zinc/33/63/27/846336327.db2.gz ZRISJLWDRYHBEO-SECBINFHSA-N 0 0 415.928 4.287 20 5 HIBDRN CCc1ccc(-c2csc(NC(=O)c3cc(C(=O)OC)cc([N+](=O)[O-])c3)n2)s1 ZINC000018705523 846338922 /nfs/dbraw/zinc/33/89/22/846338922.db2.gz QLKSHDVUOXANBV-UHFFFAOYSA-N 0 0 417.468 4.381 20 5 HIBDRN C[C@H](OC(=O)c1ccc(Cl)cc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000018807810 846342960 /nfs/dbraw/zinc/34/29/60/846342960.db2.gz ZASGWUKWMKIBDV-QMMMGPOBSA-N 0 0 401.177 4.225 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000018941762 846347799 /nfs/dbraw/zinc/34/77/99/846347799.db2.gz KFCVHUFYVALGPE-AWEZNQCLSA-N 0 0 410.499 4.411 20 5 HIBDRN Nc1nnc(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)s1 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ZINC000023296106 846681893 /nfs/dbraw/zinc/68/18/93/846681893.db2.gz WIFHJWHFXWZMOP-UHFFFAOYSA-N 0 0 420.393 4.490 20 5 HIBDRN COc1cc(CN(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(F)F ZINC000023498082 846709324 /nfs/dbraw/zinc/70/93/24/846709324.db2.gz HYSDNHFBLYUFAZ-UHFFFAOYSA-N 0 0 400.765 4.130 20 5 HIBDRN CC(=O)N(c1nc(COC(=O)c2ccc([N+](=O)[O-])o2)cs1)c1cccc(Cl)c1 ZINC000023547725 846719454 /nfs/dbraw/zinc/71/94/54/846719454.db2.gz ZXRAXIDXCZRZIQ-UHFFFAOYSA-N 0 0 421.818 4.339 20 5 HIBDRN C[C@H](c1nnc(Sc2ccc([N+](=O)[O-])cn2)n1-c1ccccc1)N1CCCCC1 ZINC000023616679 846729613 /nfs/dbraw/zinc/72/96/13/846729613.db2.gz SEMMWVWMQGEZRS-OAHLLOKOSA-N 0 0 410.503 4.269 20 5 HIBDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000023786238 846750241 /nfs/dbraw/zinc/75/02/41/846750241.db2.gz VWCNLBJLYDQWAN-UHFFFAOYSA-N 0 0 405.401 4.069 20 5 HIBDRN O=[N+]([O-])c1c(Sc2nnc(-c3ccccc3Br)o2)nc2ccccn21 ZINC000024341847 846815618 /nfs/dbraw/zinc/81/56/18/846815618.db2.gz 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ADMGQYSRAXRMCM-INIZCTEOSA-N 0 0 416.909 4.014 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](OC(=O)CCc2ccco2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000026219658 847104832 /nfs/dbraw/zinc/10/48/32/847104832.db2.gz JGSBOWVIGLOEBB-OAQYLSRUSA-N 0 0 408.410 4.352 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000436406701 861754061 /nfs/dbraw/zinc/75/40/61/861754061.db2.gz JMTGFFQPLGASLT-AWEZNQCLSA-N 0 0 419.306 4.188 20 5 HIBDRN COc1ccc(CNc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)cc1[N+](=O)[O-] ZINC000436407428 861755793 /nfs/dbraw/zinc/75/57/93/861755793.db2.gz SKPNURNBWQAEJI-UHFFFAOYSA-N 0 0 409.364 4.057 20 5 HIBDRN COc1ccc(OC)c(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000026394077 847138673 /nfs/dbraw/zinc/13/86/73/847138673.db2.gz ZOPVXGYRHJWPIX-UHFFFAOYSA-N 0 0 421.453 4.154 20 5 HIBDRN CCOc1ccccc1-c1nnc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000026408622 847139686 /nfs/dbraw/zinc/13/96/86/847139686.db2.gz IFFHGDWDVKYCQY-UHFFFAOYSA-N 0 0 414.443 4.164 20 5 HIBDRN 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ZINC000031672383 847926441 /nfs/dbraw/zinc/92/64/41/847926441.db2.gz QOFWFBGPOKCJLJ-CYBMUJFWSA-N 0 0 412.471 4.032 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000031762261 847944488 /nfs/dbraw/zinc/94/44/88/847944488.db2.gz CXNCANVCOAYLLK-UHFFFAOYSA-N 0 0 421.240 4.164 20 5 HIBDRN CC(=O)Nc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)cc1 ZINC000031767633 847945532 /nfs/dbraw/zinc/94/55/32/847945532.db2.gz KFKOMJZONURIHW-UHFFFAOYSA-N 0 0 404.422 4.406 20 5 HIBDRN Cc1cc2nnc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)n2c2ccccc12 ZINC000031842047 847958152 /nfs/dbraw/zinc/95/81/52/847958152.db2.gz MQBMXZLQQYCBBH-UHFFFAOYSA-N 0 0 418.438 4.441 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)COc3cccc([N+](=O)[O-])c3)n2)cc1Cl ZINC000031887698 847959945 /nfs/dbraw/zinc/95/99/45/847959945.db2.gz RBOCSDHCKACTQO-UHFFFAOYSA-N 0 0 419.846 4.398 20 5 HIBDRN COc1ccc(CSCC(=O)N(Cc2ccccc2F)C2CC2)cc1[N+](=O)[O-] ZINC000031888054 847960108 /nfs/dbraw/zinc/96/01/08/847960108.db2.gz MHIHKMWWXFGFMA-UHFFFAOYSA-N 0 0 404.463 4.167 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCc2cc(F)c(F)cc21 ZINC000031927232 847965297 /nfs/dbraw/zinc/96/52/97/847965297.db2.gz ZCRRQCIKXSKKFI-UHFFFAOYSA-N 0 0 401.413 4.069 20 5 HIBDRN COc1ccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000032042177 847981503 /nfs/dbraw/zinc/98/15/03/847981503.db2.gz NTXUIJYTFVYPEC-NXEZZACHSA-N 0 0 414.302 4.243 20 5 HIBDRN C[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H](C)O1 ZINC000032799595 848077761 /nfs/dbraw/zinc/07/77/61/848077761.db2.gz XFUGQBBIIUICOF-KSMMKXTCSA-N 0 0 403.866 4.037 20 5 HIBDRN O=C(COc1cc(F)ccc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000032854199 848083862 /nfs/dbraw/zinc/08/38/62/848083862.db2.gz QAHGLRSGKGJDOC-HNNXBMFYSA-N 0 0 415.402 4.145 20 5 HIBDRN O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000033136208 848112039 /nfs/dbraw/zinc/11/20/39/848112039.db2.gz LESYQYMUPAIQFQ-UHFFFAOYSA-N 0 0 405.414 4.030 20 5 HIBDRN CCOc1ccc([C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(C)C)cc1OCC ZINC000033239321 848131485 /nfs/dbraw/zinc/13/14/85/848131485.db2.gz JWNIYBMXLNXHAV-JOCHJYFZSA-N 0 0 400.475 4.448 20 5 HIBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000035579671 848144831 /nfs/dbraw/zinc/14/48/31/848144831.db2.gz DIDHETABNNYVST-SNVBAGLBSA-N 0 0 406.320 4.155 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)NCCCN2CCCCCC2=O)cc1[N+](=O)[O-] ZINC000036674361 848153755 /nfs/dbraw/zinc/15/37/55/848153755.db2.gz QLIIJDRVLIRGTN-UHFFFAOYSA-N 0 0 421.563 4.256 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000036742120 848159924 /nfs/dbraw/zinc/15/99/24/848159924.db2.gz WTCROQPAMCFLBN-UHFFFAOYSA-N 0 0 405.389 4.271 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000039547863 848187742 /nfs/dbraw/zinc/18/77/42/848187742.db2.gz IVVAMNNGXXNDKN-SECBINFHSA-N 0 0 418.749 4.124 20 5 HIBDRN 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O=C(COc1ccccc1C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918060 848366073 /nfs/dbraw/zinc/36/60/73/848366073.db2.gz PZNZECUDLZZVPY-UHFFFAOYSA-N 0 0 406.263 4.233 20 5 HIBDRN COc1ccc(Br)cc1CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000043149802 848391061 /nfs/dbraw/zinc/39/10/61/848391061.db2.gz JFIFLPOAHYSVFE-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN Cc1c(NC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] ZINC000043346736 848412277 /nfs/dbraw/zinc/41/22/77/848412277.db2.gz RGIXLWUIUIBXES-UHFFFAOYSA-N 0 0 411.245 4.312 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1csnc1-c1ccccc1 ZINC000436718230 861905506 /nfs/dbraw/zinc/90/55/06/861905506.db2.gz JMUXXAPZLBNREU-UHFFFAOYSA-N 0 0 424.438 4.045 20 5 HIBDRN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c12 ZINC000043840611 848477022 /nfs/dbraw/zinc/47/70/22/848477022.db2.gz XVIXBAPIUGRBRX-UHFFFAOYSA-N 0 0 402.410 4.379 20 5 HIBDRN CCCOc1cc(NC(=O)N[C@H](C)c2cnn(C)c2C)c([N+](=O)[O-])cc1OCCC ZINC000043878442 848485200 /nfs/dbraw/zinc/48/52/00/848485200.db2.gz AYLXNUMKSRPEKM-CYBMUJFWSA-N 0 0 419.482 4.097 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCCc2ccco2)cc1[N+](=O)[O-] ZINC000043949989 848494893 /nfs/dbraw/zinc/49/48/93/848494893.db2.gz AWXXEYQCSYYNOW-UHFFFAOYSA-N 0 0 410.451 4.113 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000044541013 848567266 /nfs/dbraw/zinc/56/72/66/848567266.db2.gz JQINBOXGRNYZSI-UHFFFAOYSA-N 0 0 408.241 4.390 20 5 HIBDRN COCc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000044549667 848569005 /nfs/dbraw/zinc/56/90/05/848569005.db2.gz NIWSBVAVUXIJIU-UHFFFAOYSA-N 0 0 400.378 4.491 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000044685163 848591759 /nfs/dbraw/zinc/59/17/59/848591759.db2.gz XWIIIIVBSHELNM-HXUWFJFHSA-N 0 0 402.422 4.412 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cc1[N+](=O)[O-] ZINC000044758612 848597942 /nfs/dbraw/zinc/59/79/42/848597942.db2.gz GQTQQTLOHIENBB-UHFFFAOYSA-N 0 0 405.410 4.416 20 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ZINC000045714627 848716116 /nfs/dbraw/zinc/71/61/16/848716116.db2.gz MFSAHNIQTJNNLN-UHFFFAOYSA-N 0 0 402.410 4.235 20 5 HIBDRN CC[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCO1 ZINC000045752068 848722536 /nfs/dbraw/zinc/72/25/36/848722536.db2.gz CBFASXNKURNAKK-APWZRJJASA-N 0 0 403.866 4.039 20 5 HIBDRN O=C(c1ccccc1SC(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000045930645 848753452 /nfs/dbraw/zinc/75/34/52/848753452.db2.gz FHNOXCKFLGKMLN-UHFFFAOYSA-N 0 0 411.405 4.169 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCc3ccc(C)nc3)cc2[N+](=O)[O-])n1 ZINC000045976457 848763235 /nfs/dbraw/zinc/76/32/35/848763235.db2.gz ABSGJXAPYVVMKH-UHFFFAOYSA-N 0 0 400.485 4.144 20 5 HIBDRN COc1cccc(Oc2ccc(CNC(=O)Nc3cc([N+](=O)[O-])ccc3C)cn2)c1 ZINC000045988038 848766342 /nfs/dbraw/zinc/76/63/42/848766342.db2.gz UKJPRLGSABJTAM-UHFFFAOYSA-N 0 0 408.414 4.421 20 5 HIBDRN Cc1c(NC(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cccc1[N+](=O)[O-] ZINC000046205290 848802087 /nfs/dbraw/zinc/80/20/87/848802087.db2.gz 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CCCOCc1ccccc1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000046535999 848869797 /nfs/dbraw/zinc/86/97/97/848869797.db2.gz MGRZEHWASDFPNG-UHFFFAOYSA-N 0 0 414.505 4.398 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000046534431 848869830 /nfs/dbraw/zinc/86/98/30/848869830.db2.gz CLPUBFAFYWYNQO-UHFFFAOYSA-N 0 0 416.327 4.029 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OCc1ccncc1 ZINC000046660321 848900936 /nfs/dbraw/zinc/90/09/36/848900936.db2.gz YEMMZCDSKHGTRF-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000046716317 848918161 /nfs/dbraw/zinc/91/81/61/848918161.db2.gz PMTGXOACFNVZBS-UHFFFAOYSA-N 0 0 404.348 4.072 20 5 HIBDRN O=C(NCCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000046720300 848918643 /nfs/dbraw/zinc/91/86/43/848918643.db2.gz SYJLUUUPWFVHRR-UHFFFAOYSA-N 0 0 423.856 4.321 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1cc(-c2ccccc2)no1)c1ccccc1[N+](=O)[O-] ZINC000046811358 848939905 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20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000047220052 849006215 /nfs/dbraw/zinc/00/62/15/849006215.db2.gz SSUNOQFZYNFWRA-UHFFFAOYSA-N 0 0 412.423 4.355 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000047235987 849009476 /nfs/dbraw/zinc/00/94/76/849009476.db2.gz OZGSEACEIQGRLD-OAQYLSRUSA-N 0 0 419.437 4.103 20 5 HIBDRN CCN(CC)C(=O)c1ccc(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000047273069 849018479 /nfs/dbraw/zinc/01/84/79/849018479.db2.gz FYWLIBAIVMNQAW-UHFFFAOYSA-N 0 0 418.881 4.089 20 5 HIBDRN Cc1ccc(Oc2ccccc2NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 ZINC000047340941 849029280 /nfs/dbraw/zinc/02/92/80/849029280.db2.gz UHAVKKANMNTZKN-UHFFFAOYSA-N 0 0 419.393 4.242 20 5 HIBDRN Cc1c(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000047355556 849031694 /nfs/dbraw/zinc/03/16/94/849031694.db2.gz SYHCWYBVWDMTKU-INIZCTEOSA-N 0 0 411.439 4.314 20 5 HIBDRN 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COC(=O)c1cc([N+](=O)[O-])c(N2Cc3cccc(Br)c3C2)cc1Cl ZINC000302242149 854556455 /nfs/dbraw/zinc/55/64/55/854556455.db2.gz ITOIPBXUFHTYRP-UHFFFAOYSA-N 0 0 411.639 4.318 20 5 HIBDRN COC(=O)c1cc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc(C)c1[N+](=O)[O-] ZINC000302406307 854568294 /nfs/dbraw/zinc/56/82/94/854568294.db2.gz LXUDJJICFSXGFR-QGZVFWFLSA-N 0 0 408.813 4.060 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(O)(c3c(F)cccc3F)CC2)nc1-c1ccccc1 ZINC000302422958 854570280 /nfs/dbraw/zinc/57/02/80/854570280.db2.gz NGUQHRHJHMASMG-UHFFFAOYSA-N 0 0 411.408 4.423 20 5 HIBDRN CN(CCNc1ccc([N+](=O)[O-])c2cnccc12)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000302486648 854575390 /nfs/dbraw/zinc/57/53/90/854575390.db2.gz IMBWNZORDCBOFY-UHFFFAOYSA-N 0 0 418.413 4.148 20 5 HIBDRN Cc1nc(C)c(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])s1 ZINC000302648327 854597364 /nfs/dbraw/zinc/59/73/64/854597364.db2.gz JKTPJVRNGNJCSY-UHFFFAOYSA-N 0 0 418.500 4.081 20 5 HIBDRN Cc1nccn1-c1ccc(CNc2cc(C)c([N+](=O)[O-])cc2Br)cn1 ZINC000302648753 854597835 /nfs/dbraw/zinc/59/78/35/854597835.db2.gz GBIPGCOHISNSJQ-UHFFFAOYSA-N 0 0 402.252 4.167 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000302684259 854604029 /nfs/dbraw/zinc/60/40/29/854604029.db2.gz FYQSVEKNKYURLU-FQEVSTJZSA-N 0 0 400.438 4.341 20 5 HIBDRN COc1cc(CNc2cc(C)c([N+](=O)[O-])cc2Br)cc(OC)c1OC ZINC000302693271 854605741 /nfs/dbraw/zinc/60/57/41/854605741.db2.gz SDJVHQXARFICEY-UHFFFAOYSA-N 0 0 411.252 4.304 20 5 HIBDRN CCn1c2ccccc2nc1[C@H]1CCCN1c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000302735562 854616613 /nfs/dbraw/zinc/61/66/13/854616613.db2.gz OSADIFWCTUXQDM-HXUWFJFHSA-N 0 0 421.501 4.444 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000302791725 854634696 /nfs/dbraw/zinc/63/46/96/854634696.db2.gz YQMZACOKXMDPRX-SNVBAGLBSA-N 0 0 420.263 4.424 20 5 HIBDRN COc1ccccc1NC(=O)C1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302819097 854645709 /nfs/dbraw/zinc/64/57/09/854645709.db2.gz JEFGXQZILORXDT-UHFFFAOYSA-N 0 0 403.866 4.420 20 5 HIBDRN CSc1ccccc1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000302830983 854647254 /nfs/dbraw/zinc/64/72/54/854647254.db2.gz QLTCSAXFUCGJMT-UHFFFAOYSA-N 0 0 410.293 4.154 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1Br)N1Cc2ccccc2C1 ZINC000302834496 854648620 /nfs/dbraw/zinc/64/86/20/854648620.db2.gz UADHCWZWPSQMOP-UHFFFAOYSA-N 0 0 404.264 4.092 20 5 HIBDRN COc1ccccc1-c1nc(C2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)no1 ZINC000302878343 854665054 /nfs/dbraw/zinc/66/50/54/854665054.db2.gz HAYHQABLGXVKPH-UHFFFAOYSA-N 0 0 421.457 4.005 20 5 HIBDRN Cc1c(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cccc1[N+](=O)[O-] ZINC000302895186 854670341 /nfs/dbraw/zinc/67/03/41/854670341.db2.gz MNLMUCZKXPRHET-UHFFFAOYSA-N 0 0 422.890 4.282 20 5 HIBDRN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC000302921488 854679868 /nfs/dbraw/zinc/67/98/68/854679868.db2.gz NBSIWEWBLFQPDP-KRWDZBQOSA-N 0 0 424.482 4.233 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000302951810 854693597 /nfs/dbraw/zinc/69/35/97/854693597.db2.gz DDXSVLCRBKEJNP-UHFFFAOYSA-N 0 0 413.499 4.207 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000303018200 854724960 /nfs/dbraw/zinc/72/49/60/854724960.db2.gz OFOHXALYPHPDON-UHFFFAOYSA-N 0 0 424.906 4.097 20 5 HIBDRN COc1ccc(C2(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CCCC2)cc1 ZINC000303059606 854742571 /nfs/dbraw/zinc/74/25/71/854742571.db2.gz UGRIBWXTAUDVOX-UHFFFAOYSA-N 0 0 409.486 4.403 20 5 HIBDRN COc1cc(OCC(=O)NC[C@H](C)c2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] ZINC000303097929 854759318 /nfs/dbraw/zinc/75/93/18/854759318.db2.gz GJISZMDCGFTITQ-NSHDSACASA-N 0 0 413.257 4.209 20 5 HIBDRN O=C(CCc1cccc(OC2CCCC2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000303132327 854776549 /nfs/dbraw/zinc/77/65/49/854776549.db2.gz CDAXDEXDVRQDKT-UHFFFAOYSA-N 0 0 423.513 4.198 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1F)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000303152001 854787538 /nfs/dbraw/zinc/78/75/38/854787538.db2.gz VXAKPFRZPSQROI-UHFFFAOYSA-N 0 0 415.402 4.065 20 5 HIBDRN Cc1ccc([C@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000437344742 862621014 /nfs/dbraw/zinc/62/10/14/862621014.db2.gz UBGGMXLKPHVDDV-IIBYNOLFSA-N 0 0 404.532 4.291 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H](C)Cc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000303385687 854903681 /nfs/dbraw/zinc/90/36/81/854903681.db2.gz NPXPAXHKZWADSZ-MRXNPFEDSA-N 0 0 402.516 4.201 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)c1C ZINC000303431448 854931504 /nfs/dbraw/zinc/93/15/04/854931504.db2.gz DUFSFUMIAQFCQJ-UHFFFAOYSA-N 0 0 419.503 4.305 20 5 HIBDRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000303444430 854943643 /nfs/dbraw/zinc/94/36/43/854943643.db2.gz ZGIRWPPNSBTCMW-LJQANCHMSA-N 0 0 423.856 4.228 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000303449049 854947546 /nfs/dbraw/zinc/94/75/46/854947546.db2.gz JCMMCOHPNYTIDL-HXUWFJFHSA-N 0 0 407.426 4.225 20 5 HIBDRN Cc1c2ccccc2oc1[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)C ZINC000303473833 854969573 /nfs/dbraw/zinc/96/95/73/854969573.db2.gz RIRZOSBZAPEPLP-FQEVSTJZSA-N 0 0 419.441 4.357 20 5 HIBDRN CCCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc2C1 ZINC000303495119 854984139 /nfs/dbraw/zinc/98/41/39/854984139.db2.gz QOIWYDLQJCKUJO-QGZVFWFLSA-N 0 0 405.454 4.258 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OC(F)F ZINC000303526097 855013617 /nfs/dbraw/zinc/01/36/17/855013617.db2.gz VSQXQHPQSJHMTM-UHFFFAOYSA-N 0 0 400.765 4.130 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000303567244 855044443 /nfs/dbraw/zinc/04/44/43/855044443.db2.gz OFUNNWZHDNYRGT-SFHVURJKSA-N 0 0 406.486 4.474 20 5 HIBDRN COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000303624145 855083687 /nfs/dbraw/zinc/08/36/87/855083687.db2.gz NNTZGFPANYGPLB-MRXNPFEDSA-N 0 0 419.865 4.041 20 5 HIBDRN Cc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1C ZINC000303635714 855092785 /nfs/dbraw/zinc/09/27/85/855092785.db2.gz GGXILEACEFTPFZ-INIZCTEOSA-N 0 0 403.504 4.169 20 5 HIBDRN CC(C)C[C@H]1COCCN1C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000303662074 855114142 /nfs/dbraw/zinc/11/41/42/855114142.db2.gz VTNRAWOKSRVFHA-WMZOPIPTSA-N 0 0 412.490 4.050 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000303670237 855122184 /nfs/dbraw/zinc/12/21/84/855122184.db2.gz YKXSUSQABOJZSM-UHFFFAOYSA-N 0 0 410.817 4.456 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1 ZINC000303703020 855142068 /nfs/dbraw/zinc/14/20/68/855142068.db2.gz OOKKZBHEBFHXNK-PMERELPUSA-N 0 0 424.478 4.305 20 5 HIBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000303725429 855153476 /nfs/dbraw/zinc/15/34/76/855153476.db2.gz SSFMTIYONNQULH-HXUWFJFHSA-N 0 0 415.877 4.026 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc([N+](=O)[O-])c1 ZINC000303730049 855156550 /nfs/dbraw/zinc/15/65/50/855156550.db2.gz UYHPYOMBXMGHTK-UHFFFAOYSA-N 0 0 415.402 4.205 20 5 HIBDRN C[C@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000303862751 855257994 /nfs/dbraw/zinc/25/79/94/855257994.db2.gz MDIKZFOZVGUCMR-OAHLLOKOSA-N 0 0 421.419 4.456 20 5 HIBDRN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437366307 862658524 /nfs/dbraw/zinc/65/85/24/862658524.db2.gz VXQDPYWKWWAGOG-UHFFFAOYSA-N 0 0 411.727 4.100 20 5 HIBDRN CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000303920235 855292138 /nfs/dbraw/zinc/29/21/38/855292138.db2.gz VRKYBXMYEVBUQX-QZTJIDSGSA-N 0 0 400.479 4.061 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000303949593 855312839 /nfs/dbraw/zinc/31/28/39/855312839.db2.gz YWCTZSPUNMISCY-UHFFFAOYSA-N 0 0 403.276 4.470 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@H](C)CO2)c1 ZINC000303965915 855326812 /nfs/dbraw/zinc/32/68/12/855326812.db2.gz QDMWKFADBJKATP-ZHRRBRCNSA-N 0 0 409.486 4.388 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)c1 ZINC000304044045 855344002 /nfs/dbraw/zinc/34/40/02/855344002.db2.gz OFGWRRHAWHJERO-UHFFFAOYSA-N 0 0 403.276 4.470 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H](C)OC[C@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000437371393 862669905 /nfs/dbraw/zinc/66/99/05/862669905.db2.gz IHFQBEUEUOKFJT-PNCHPQGNSA-N 0 0 423.513 4.433 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(I)ccc1Cl ZINC000314492716 855375691 /nfs/dbraw/zinc/37/56/91/855375691.db2.gz LOCFYINVCUPVBF-UHFFFAOYSA-N 0 0 416.602 4.034 20 5 HIBDRN Cc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 ZINC000322851123 855393112 /nfs/dbraw/zinc/39/31/12/855393112.db2.gz PJNBTLCXBOBNQW-UHFFFAOYSA-N 0 0 419.684 4.428 20 5 HIBDRN Cc1cccc(C(=O)Nc2cc(I)ccc2Cl)c1[N+](=O)[O-] ZINC000385718318 855441753 /nfs/dbraw/zinc/44/17/53/855441753.db2.gz MWDALUZQTARJIP-UHFFFAOYSA-N 0 0 416.602 4.414 20 5 HIBDRN O=c1ccccn1C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1ccccc1 ZINC000409517868 855520039 /nfs/dbraw/zinc/52/00/39/855520039.db2.gz BLQKGYWBARVJRS-HXUWFJFHSA-N 0 0 412.449 4.672 20 5 HIBDRN C[C@H](NC(=O)N(C)Cc1cc(Br)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000409523277 855522658 /nfs/dbraw/zinc/52/26/58/855522658.db2.gz SIQSLNGPVBQRJM-NSHDSACASA-N 0 0 410.243 4.399 20 5 HIBDRN O=c1ccccn1C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000409524892 855523849 /nfs/dbraw/zinc/52/38/49/855523849.db2.gz CVULYRRORYJJHC-GOSISDBHSA-N 0 0 414.259 4.372 20 5 HIBDRN Cc1cccc2oc(CCNC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])nc21 ZINC000409529560 855525404 /nfs/dbraw/zinc/52/54/04/855525404.db2.gz UHVTUYGIPASMFB-UHFFFAOYSA-N 0 0 405.863 4.149 20 5 HIBDRN Cc1cc(N2CCC[C@H](c3ncc4n3CCCC4)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000409644271 855579692 /nfs/dbraw/zinc/57/96/92/855579692.db2.gz HWRMRBNHFFDYQX-SFHVURJKSA-N 0 0 418.501 4.277 20 5 HIBDRN COc1cc([C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccncc1 ZINC000409670279 855594306 /nfs/dbraw/zinc/59/43/06/855594306.db2.gz FSFDCQQIVWEDFE-HNNXBMFYSA-N 0 0 422.441 4.460 20 5 HIBDRN O=[N+]([O-])c1cnc(N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)s1 ZINC000409713186 855615973 /nfs/dbraw/zinc/61/59/73/855615973.db2.gz QTKNUKQYKXNRKY-UHFFFAOYSA-N 0 0 419.890 4.283 20 5 HIBDRN CCCCc1nc2cc(NC(=O)c3cc(C(=O)OCC)cc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000409719092 855619563 /nfs/dbraw/zinc/61/95/63/855619563.db2.gz ILUNCTHCYXMENJ-UHFFFAOYSA-N 0 0 410.430 4.243 20 5 HIBDRN O=C(CCSCc1nc(-c2ccccc2F)no1)Nc1ccccc1[N+](=O)[O-] ZINC000409848481 855686181 /nfs/dbraw/zinc/68/61/81/855686181.db2.gz DKIBKYXPDHFQLY-UHFFFAOYSA-N 0 0 402.407 4.046 20 5 HIBDRN Cc1nnc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])n1[C@H]1CCC[C@H](C)C1 ZINC000410029453 855786224 /nfs/dbraw/zinc/78/62/24/855786224.db2.gz ZQJRZOQEYCOZJS-ZFWWWQNUSA-N 0 0 403.508 4.367 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000410225687 855869327 /nfs/dbraw/zinc/86/93/27/855869327.db2.gz ARFKKHAIGVEKMG-AWEZNQCLSA-N 0 0 404.413 4.333 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000410253864 855882737 /nfs/dbraw/zinc/88/27/37/855882737.db2.gz DJELTOOKWOHJLF-AWEZNQCLSA-N 0 0 410.499 4.362 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CC[C@@H](c4ccccc4F)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000410297467 855913355 /nfs/dbraw/zinc/91/33/55/855913355.db2.gz ATJDHCLQSITUIF-LJQANCHMSA-N 0 0 422.460 4.225 20 5 HIBDRN Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000410327720 855930189 /nfs/dbraw/zinc/93/01/89/855930189.db2.gz RITIIIYYRYEVMG-FQEVSTJZSA-N 0 0 405.458 4.439 20 5 HIBDRN COc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(C)c(OC)c1 ZINC000410360557 855949698 /nfs/dbraw/zinc/94/96/98/855949698.db2.gz AVBYPPAXLAXTJV-UHFFFAOYSA-N 0 0 424.457 4.034 20 5 HIBDRN Cc1nn(CCC(=O)NCc2ccccc2Sc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000410376094 855960691 /nfs/dbraw/zinc/96/06/91/855960691.db2.gz TTWSTCAAPQNGLR-UHFFFAOYSA-N 0 0 410.499 4.266 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000410412323 855982700 /nfs/dbraw/zinc/98/27/00/855982700.db2.gz BHRUESLNZVCTMU-UHFFFAOYSA-N 0 0 418.711 4.170 20 5 HIBDRN Cc1nc2cc(C(=O)NCCc3ccccc3[N+](=O)[O-])ccc2n1Cc1ccsc1 ZINC000410412431 855982712 /nfs/dbraw/zinc/98/27/12/855982712.db2.gz CNBZQVNQDORJEJ-UHFFFAOYSA-N 0 0 420.494 4.335 20 5 HIBDRN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000410421426 855989179 /nfs/dbraw/zinc/98/91/79/855989179.db2.gz MOOOSYGINDJQFL-CQSZACIVSA-N 0 0 422.528 4.206 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000425924143 856002079 /nfs/dbraw/zinc/00/20/79/856002079.db2.gz UEAHVSWVKSEBLC-HNNXBMFYSA-N 0 0 415.412 4.295 20 5 HIBDRN CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CCC(n3ccc([N+](=O)[O-])n3)CC1)CCC2 ZINC000425968697 856021806 /nfs/dbraw/zinc/02/18/06/856021806.db2.gz VIPPAHLXVAJVBT-HXUWFJFHSA-N 0 0 411.506 4.339 20 5 HIBDRN O=C(NCc1ccc(Br)s1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426001171 856039059 /nfs/dbraw/zinc/03/90/59/856039059.db2.gz WOPWOJAZEPNPGY-UHFFFAOYSA-N 0 0 410.293 4.293 20 5 HIBDRN O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426010953 856045255 /nfs/dbraw/zinc/04/52/55/856045255.db2.gz QYKUFAUZNFPIQF-QFIPXVFZSA-N 0 0 423.469 4.191 20 5 HIBDRN O=C(NCc1cc(F)cc(Br)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426016988 856049195 /nfs/dbraw/zinc/04/91/95/856049195.db2.gz YXUGZMCQKITKQE-UHFFFAOYSA-N 0 0 422.254 4.371 20 5 HIBDRN C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000426019306 856050531 /nfs/dbraw/zinc/05/05/31/856050531.db2.gz IEUWXEJRDPADMD-HNNXBMFYSA-N 0 0 422.485 4.379 20 5 HIBDRN CCS[C@H]1CCC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000426041736 856066557 /nfs/dbraw/zinc/06/65/57/856066557.db2.gz HEEUSISIZLJXSR-ZFWWWQNUSA-N 0 0 405.442 4.477 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000426047001 856071661 /nfs/dbraw/zinc/07/16/61/856071661.db2.gz YZOMCLFQHNSMCR-UHFFFAOYSA-N 0 0 405.838 4.332 20 5 HIBDRN Cc1cnc([C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C2CC2)s1 ZINC000426062915 856081546 /nfs/dbraw/zinc/08/15/46/856081546.db2.gz QZOAJXZQSORSRE-CQSZACIVSA-N 0 0 414.409 4.329 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1CCO[C@H]1c1ccccc1 ZINC000426075401 856089835 /nfs/dbraw/zinc/08/98/35/856089835.db2.gz XPUYVNIZNXOKMQ-QAPCUYQASA-N 0 0 423.391 4.191 20 5 HIBDRN COc1cc(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])c1OC ZINC000437408513 862767896 /nfs/dbraw/zinc/76/78/96/862767896.db2.gz FLZZAJNUGOGONX-NNUKFRKNSA-N 0 0 424.375 4.307 20 5 HIBDRN CCCN(C[C@H]1CCCCO1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426257766 856205935 /nfs/dbraw/zinc/20/59/35/856205935.db2.gz QYSUFMSNKUXGKE-MRXNPFEDSA-N 0 0 403.401 4.104 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000426261555 856207932 /nfs/dbraw/zinc/20/79/32/856207932.db2.gz AQMGCHYOYRHMFY-UHFFFAOYSA-N 0 0 421.375 4.318 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000426267401 856211430 /nfs/dbraw/zinc/21/14/30/856211430.db2.gz NALIBYSASLTZBH-CYBMUJFWSA-N 0 0 411.355 4.452 20 5 HIBDRN Cn1cccc1[C@H]1CCCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426273357 856213069 /nfs/dbraw/zinc/21/30/69/856213069.db2.gz GIPQVUXGMNWRBE-QGZVFWFLSA-N 0 0 410.396 4.389 20 5 HIBDRN COCCN(C[C@H]1CC=CCC1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426278052 856216341 /nfs/dbraw/zinc/21/63/41/856216341.db2.gz UQTCMGBGFHZMRZ-AWEZNQCLSA-N 0 0 415.412 4.128 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ncc(C3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000426285238 856220846 /nfs/dbraw/zinc/22/08/46/856220846.db2.gz AIPWSKOSSANNJS-CYBMUJFWSA-N 0 0 416.503 4.223 20 5 HIBDRN C[C@H](c1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@H]1OCCc2sccc21 ZINC000426435743 856289219 /nfs/dbraw/zinc/28/92/19/856289219.db2.gz DTNYWMOMTQAFSZ-KPZWWZAWSA-N 0 0 400.460 4.111 20 5 HIBDRN Cc1nc(C(C)C)oc1-c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000426451394 856296771 /nfs/dbraw/zinc/29/67/71/856296771.db2.gz RJVKWPLKJMPQER-UHFFFAOYSA-N 0 0 407.224 4.418 20 5 HIBDRN COc1cccc(C(=O)CCCc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000426462500 856303521 /nfs/dbraw/zinc/30/35/21/856303521.db2.gz TVMBTMACDFXXLY-UHFFFAOYSA-N 0 0 420.425 4.264 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(Cc2ccccc2)no1 ZINC000426633264 856383849 /nfs/dbraw/zinc/38/38/49/856383849.db2.gz DMLYBJBJXRNRSQ-LLVKDONJSA-N 0 0 401.810 4.105 20 5 HIBDRN Cc1ccccc1C[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000426639763 856388061 /nfs/dbraw/zinc/38/80/61/856388061.db2.gz OTHZCVTYSWCKES-QGZVFWFLSA-N 0 0 411.483 4.060 20 5 HIBDRN O=C([O-])[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Oc1ccc(F)cc1 ZINC000426652714 856394939 /nfs/dbraw/zinc/39/49/39/856394939.db2.gz WPZRVEPGLFNWBZ-SFHVURJKSA-N 0 0 416.430 4.084 20 5 HIBDRN Cc1nc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)sc1C(=O)[O-] ZINC000426706480 856423634 /nfs/dbraw/zinc/42/36/34/856423634.db2.gz UBGMYIMMWQXODI-UHFFFAOYSA-N 0 0 403.485 4.119 20 5 HIBDRN CC(C)(C)c1cnc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])o1 ZINC000426710101 856426341 /nfs/dbraw/zinc/42/63/41/856426341.db2.gz HRYHBRVYNZEAPX-UHFFFAOYSA-N 0 0 409.442 4.389 20 5 HIBDRN Cc1ccc(-c2ccc(C[NH2+][C@@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])o2)cc1 ZINC000426736916 856444187 /nfs/dbraw/zinc/44/41/87/856444187.db2.gz ZFQQQCSFTYRBQB-NRFANRHFSA-N 0 0 419.437 4.430 20 5 HIBDRN COC(=O)CCC(C)(C)NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000426767140 856466320 /nfs/dbraw/zinc/46/63/20/856466320.db2.gz KOYFORPYEWIORH-UHFFFAOYSA-N 0 0 402.472 4.208 20 5 HIBDRN COc1cc(C[NH2+][C@H](C(=O)[O-])c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426771011 856469065 /nfs/dbraw/zinc/46/90/65/856469065.db2.gz YFYJWHRHDNLGAX-QFIPXVFZSA-N 0 0 422.437 4.098 20 5 HIBDRN COc1ccc([C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)[O-])cc1F ZINC000426799116 856485851 /nfs/dbraw/zinc/48/58/51/856485851.db2.gz KCNICCJVXJEPEX-IBGZPJMESA-N 0 0 416.430 4.387 20 5 HIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000426809689 856491036 /nfs/dbraw/zinc/49/10/36/856491036.db2.gz WJRNNFXDCOPVFY-AWEZNQCLSA-N 0 0 402.756 4.053 20 5 HIBDRN O=C([O-])[C@H](Cc1ccco1)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000426815806 856494254 /nfs/dbraw/zinc/49/42/54/856494254.db2.gz HKDJTUNVZGXHGR-INIZCTEOSA-N 0 0 416.817 4.419 20 5 HIBDRN COc1ccc(Oc2ccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C(=O)[O-])cc2)cc1 ZINC000426820509 856497727 /nfs/dbraw/zinc/49/77/27/856497727.db2.gz ZKOQVASOQPCOIM-NRFANRHFSA-N 0 0 422.437 4.181 20 5 HIBDRN Cc1cc(Oc2ccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)n[nH]1 ZINC000426821120 856497783 /nfs/dbraw/zinc/49/77/83/856497783.db2.gz QALYWPSBQKDJCI-UHFFFAOYSA-N 0 0 418.413 4.071 20 5 HIBDRN CN1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c2cccnc21 ZINC000426876511 856523290 /nfs/dbraw/zinc/52/32/90/856523290.db2.gz UPRKPOWHYNKSGB-UHFFFAOYSA-N 0 0 406.467 4.238 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000437433435 862805781 /nfs/dbraw/zinc/80/57/81/862805781.db2.gz RVXMMAHMDODVTD-HRAATJIYSA-N 0 0 413.474 4.350 20 5 HIBDRN C[C@@H](CCO)C1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCC1 ZINC000427070530 856620226 /nfs/dbraw/zinc/62/02/26/856620226.db2.gz VTDZEHBAMGUWJY-KRWDZBQOSA-N 0 0 412.486 4.092 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000427250680 856737018 /nfs/dbraw/zinc/73/70/18/856737018.db2.gz TWUTZEYNLDMEJE-HNNXBMFYSA-N 0 0 419.437 4.347 20 5 HIBDRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3OC)cc2s1 ZINC000427260439 856741419 /nfs/dbraw/zinc/74/14/19/856741419.db2.gz MVBRIQOQSRYYFX-UHFFFAOYSA-N 0 0 414.443 4.204 20 5 HIBDRN Cc1ccccc1CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000437469206 862830839 /nfs/dbraw/zinc/83/08/39/862830839.db2.gz GVWUHWPOUYOAOV-UHFFFAOYSA-N 0 0 403.438 4.071 20 5 HIBDRN COC(=O)c1ncccc1NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000427315891 856766801 /nfs/dbraw/zinc/76/68/01/856766801.db2.gz PSYRADCAOPNNKO-UHFFFAOYSA-N 0 0 403.460 4.167 20 5 HIBDRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000427319143 856768644 /nfs/dbraw/zinc/76/86/44/856768644.db2.gz DYPRDFDGAVNKKR-UHFFFAOYSA-N 0 0 413.474 4.245 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2[C@@H](C)c2cc(Cl)ccc2Cl)n1 ZINC000427371081 856798717 /nfs/dbraw/zinc/79/87/17/856798717.db2.gz YJQXOFNUIKZCLV-JTQLQIEISA-N 0 0 423.260 4.176 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)n1 ZINC000427388074 856803477 /nfs/dbraw/zinc/80/34/77/856803477.db2.gz AEBDPEDSZDDHLW-CQSZACIVSA-N 0 0 416.787 4.365 20 5 HIBDRN O=C(NCc1ccc2c(n1)CCCC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427423590 856814350 /nfs/dbraw/zinc/81/43/50/856814350.db2.gz FPVHQVBSSBJUAE-UHFFFAOYSA-N 0 0 417.465 4.378 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OCc3cccc(C)c3)cc2)n1 ZINC000427453111 856826748 /nfs/dbraw/zinc/82/67/48/856826748.db2.gz XFKLCUPUPZAXCC-INIZCTEOSA-N 0 0 408.458 4.190 20 5 HIBDRN COc1cnccc1[C@@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000427489315 856839179 /nfs/dbraw/zinc/83/91/79/856839179.db2.gz AQICBTJLKBPFCV-OAHLLOKOSA-N 0 0 407.426 4.068 20 5 HIBDRN Cc1cc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1-c1ccccc1 ZINC000427513163 856845427 /nfs/dbraw/zinc/84/54/27/856845427.db2.gz DAWAJGIRMVXPHN-UHFFFAOYSA-N 0 0 403.438 4.134 20 5 HIBDRN Cn1ccnc1SCc1cccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000427572535 856872846 /nfs/dbraw/zinc/87/28/46/856872846.db2.gz NLMDUEMBCAOGNJ-UHFFFAOYSA-N 0 0 422.510 4.425 20 5 HIBDRN CN(Cc1ccc(Br)c(F)c1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000427721717 856922421 /nfs/dbraw/zinc/92/24/21/856922421.db2.gz JCJWCNXLSIFERR-UHFFFAOYSA-N 0 0 413.268 4.247 20 5 HIBDRN COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000427733550 856928424 /nfs/dbraw/zinc/92/84/24/856928424.db2.gz HXZCQZCHMOXGAK-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN COCCN(Cc1cc(Br)cs1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000427736025 856930186 /nfs/dbraw/zinc/93/01/86/856930186.db2.gz UUVCCEWYFQVVIN-UHFFFAOYSA-N 0 0 413.293 4.016 20 5 HIBDRN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000427794094 856958317 /nfs/dbraw/zinc/95/83/17/856958317.db2.gz QZCLITLNTQLGRO-UHFFFAOYSA-N 0 0 415.496 4.072 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000427824687 856970944 /nfs/dbraw/zinc/97/09/44/856970944.db2.gz FYHDZWFCOYJEAO-MRXNPFEDSA-N 0 0 405.248 4.343 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3o2)n1 ZINC000427846127 856978439 /nfs/dbraw/zinc/97/84/39/856978439.db2.gz GZURGEVAWWVDLP-UHFFFAOYSA-N 0 0 408.414 4.301 20 5 HIBDRN O=C(CN(CC1CC1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000437505854 862857387 /nfs/dbraw/zinc/85/73/87/862857387.db2.gz GJBPHHKDXSJDDQ-UHFFFAOYSA-N 0 0 404.264 4.212 20 5 HIBDRN CC[C@@H](CSc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CCN2C(=O)COC ZINC000427861807 856986010 /nfs/dbraw/zinc/98/60/10/856986010.db2.gz DELJIVDXTOTWTD-INIZCTEOSA-N 0 0 415.515 4.113 20 5 HIBDRN CN(Cc1ccccc1C(F)(F)F)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427913817 857004153 /nfs/dbraw/zinc/00/41/53/857004153.db2.gz FXCZSGVBISUECJ-UHFFFAOYSA-N 0 0 419.359 4.199 20 5 HIBDRN CC(C)Oc1cccc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000427917291 857006335 /nfs/dbraw/zinc/00/63/35/857006335.db2.gz SVQHSBHBLJRMCT-HNNXBMFYSA-N 0 0 409.442 4.186 20 5 HIBDRN O=C(Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000437517032 862862942 /nfs/dbraw/zinc/86/29/42/862862942.db2.gz QBCWQCFPJHITPW-UHFFFAOYSA-N 0 0 403.373 4.438 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CCCn2ccnc2C)cc1 ZINC000437517007 862863033 /nfs/dbraw/zinc/86/30/33/862863033.db2.gz JHLXJDZONDCMGU-UHFFFAOYSA-N 0 0 424.457 4.063 20 5 HIBDRN O=C(Nc1nc(C(F)(F)F)cs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000437520783 862864896 /nfs/dbraw/zinc/86/48/96/862864896.db2.gz ZPALDOGWCMMGAD-UHFFFAOYSA-N 0 0 416.381 4.145 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)N(C(N)=O)CC2 ZINC000428023681 857046747 /nfs/dbraw/zinc/04/67/47/857046747.db2.gz QQNLVDVBIRQVGC-UHFFFAOYSA-N 0 0 414.487 4.036 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](c2ccccc2)CC1 ZINC000428032169 857050603 /nfs/dbraw/zinc/05/06/03/857050603.db2.gz JGADGYQJPWKYTA-GOSISDBHSA-N 0 0 405.454 4.318 20 5 HIBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000428037788 857051597 /nfs/dbraw/zinc/05/15/97/857051597.db2.gz KTEAZQUXNLIMKN-UHFFFAOYSA-N 0 0 406.320 4.392 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H](CSc2ccccc2)C1 ZINC000428049742 857055242 /nfs/dbraw/zinc/05/52/42/857055242.db2.gz UHZGRLIOAOUEPL-MRXNPFEDSA-N 0 0 423.494 4.163 20 5 HIBDRN CCCNC(=O)C1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000428091705 857069423 /nfs/dbraw/zinc/06/94/23/857069423.db2.gz MRAFLTMHFHDTCC-UHFFFAOYSA-N 0 0 402.520 4.037 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](OCC4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000428113055 857076981 /nfs/dbraw/zinc/07/69/81/857076981.db2.gz QWTXFQMSSIPRKG-FUHIMQAGSA-N 0 0 415.534 4.108 20 5 HIBDRN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CC[C@@](O)(C2CC2)C1 ZINC000428163831 857092810 /nfs/dbraw/zinc/09/28/10/857092810.db2.gz VLKSVULEFXZRCO-FQEVSTJZSA-N 0 0 418.902 4.386 20 5 HIBDRN O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000428266056 857133296 /nfs/dbraw/zinc/13/32/96/857133296.db2.gz BLCPJQNOSJOWPQ-MRXNPFEDSA-N 0 0 420.444 4.052 20 5 HIBDRN COC(=O)C12CCC(C(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)(CC1)C2 ZINC000428274412 857136277 /nfs/dbraw/zinc/13/62/77/857136277.db2.gz IHYKOHAAFBUPHH-UHFFFAOYSA-N 0 0 415.471 4.089 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cn(C)c(=O)c4ccccc34)n2)cc1[N+](=O)[O-] ZINC000428278716 857138673 /nfs/dbraw/zinc/13/86/73/857138673.db2.gz SZWRMVYJGFCNCG-UHFFFAOYSA-N 0 0 420.450 4.131 20 5 HIBDRN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)C2)cc1 ZINC000428315928 857149815 /nfs/dbraw/zinc/14/98/15/857149815.db2.gz QCKXDIBGUCJGCJ-NVXWUHKLSA-N 0 0 400.500 4.006 20 5 HIBDRN COC(=O)COc1ccc(CNc2cc(Cl)c(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000428345790 857164284 /nfs/dbraw/zinc/16/42/84/857164284.db2.gz MPKQDQYFKROWON-UHFFFAOYSA-N 0 0 403.193 4.205 20 5 HIBDRN COC(=O)[C@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000428385201 857184772 /nfs/dbraw/zinc/18/47/72/857184772.db2.gz PRPWEAOQFCKKIH-ORAYPTAESA-N 0 0 406.866 4.082 20 5 HIBDRN CC[C@]1(CO)CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000428528610 857243168 /nfs/dbraw/zinc/24/31/68/857243168.db2.gz DNDHJBPJOYRDSA-NRFANRHFSA-N 0 0 400.500 4.371 20 5 HIBDRN Cc1[nH]nc(C(=O)Nc2ccc(C)c(OCc3cccc(Cl)c3)c2)c1[N+](=O)[O-] ZINC000428583908 857271966 /nfs/dbraw/zinc/27/19/66/857271966.db2.gz NPOJLTPMKFOEHA-UHFFFAOYSA-N 0 0 400.822 4.419 20 5 HIBDRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000428789890 857340670 /nfs/dbraw/zinc/34/06/70/857340670.db2.gz PRGKGLFENYIYRS-KZULUSFZSA-N 0 0 420.391 4.452 20 5 HIBDRN Nc1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000428875492 857382491 /nfs/dbraw/zinc/38/24/91/857382491.db2.gz GCRYSMHNZJVIEL-CYBMUJFWSA-N 0 0 405.838 4.031 20 5 HIBDRN COc1ccc(CNC(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000428960177 857435436 /nfs/dbraw/zinc/43/54/36/857435436.db2.gz HYDBFNXNYKYHJZ-LLVKDONJSA-N 0 0 413.352 4.062 20 5 HIBDRN Cn1c(CNC(C)(C)c2ccccc2[N+](=O)[O-])nc2ccc(Br)cc21 ZINC000429245557 857571917 /nfs/dbraw/zinc/57/19/17/857571917.db2.gz CVJOTUNFQNRHQA-UHFFFAOYSA-N 0 0 403.280 4.269 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000429254749 857576384 /nfs/dbraw/zinc/57/63/84/857576384.db2.gz RDFCATJYRXXOSO-LLVKDONJSA-N 0 0 414.259 4.359 20 5 HIBDRN C[C@@H]1CCc2c(sc3nc(CNC(C)(C)c4ccccc4[N+](=O)[O-])nc(N)c23)C1 ZINC000429263852 857581615 /nfs/dbraw/zinc/58/16/15/857581615.db2.gz AQTWHHRRLXYCAS-GFCCVEGCSA-N 0 0 411.531 4.331 20 5 HIBDRN Cc1cc(I)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)c1C ZINC000429369728 857626427 /nfs/dbraw/zinc/62/64/27/857626427.db2.gz FWXFRASGGBQYRC-UHFFFAOYSA-N 0 0 414.174 4.208 20 5 HIBDRN COC[C@H](C)Nc1ccccc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437619570 862935413 /nfs/dbraw/zinc/93/54/13/862935413.db2.gz IQEFKTLPWNCCCF-ZDUSSCGKSA-N 0 0 407.854 4.103 20 5 HIBDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000429464182 857683978 /nfs/dbraw/zinc/68/39/78/857683978.db2.gz DBKGQSIURAAJQJ-MRXNPFEDSA-N 0 0 413.352 4.164 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)CCC2=O)c1ccc([N+](=O)[O-])cc1Br ZINC000429495129 857697195 /nfs/dbraw/zinc/69/71/95/857697195.db2.gz KBFYUWPHULFJNJ-UHFFFAOYSA-N 0 0 409.623 4.392 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000429607140 857788971 /nfs/dbraw/zinc/78/89/71/857788971.db2.gz DQRAERPDFSFDSQ-UHFFFAOYSA-N 0 0 408.252 4.338 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000429669635 857828572 /nfs/dbraw/zinc/82/85/72/857828572.db2.gz GVTGMCXZTQVESC-LBPRGKRZSA-N 0 0 423.391 4.251 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1Cc2cccc(O)c2C1 ZINC000429752007 857870322 /nfs/dbraw/zinc/87/03/22/857870322.db2.gz MODZCEHQYWTJDY-INIZCTEOSA-N 0 0 405.410 4.382 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1CNc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000429795242 857887244 /nfs/dbraw/zinc/88/72/44/857887244.db2.gz XNVWDRVGRHAVBA-UHFFFAOYSA-N 0 0 409.364 4.057 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000429798862 857889648 /nfs/dbraw/zinc/88/96/48/857889648.db2.gz LBUWFYDADVAJAT-GFCCVEGCSA-N 0 0 403.236 4.115 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000429806848 857891383 /nfs/dbraw/zinc/89/13/83/857891383.db2.gz LUKPRBDRYASRBF-MRXNPFEDSA-N 0 0 417.263 4.361 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429822046 857897145 /nfs/dbraw/zinc/89/71/45/857897145.db2.gz SQSJIFKJCSDUCY-SJORKVTESA-N 0 0 423.238 4.147 20 5 HIBDRN O=C(NCc1sccc1Br)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429821011 857897512 /nfs/dbraw/zinc/89/75/12/857897512.db2.gz PBJWLRRKWZCPPV-UHFFFAOYSA-N 0 0 420.082 4.111 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000429833333 857901453 /nfs/dbraw/zinc/90/14/53/857901453.db2.gz PYAGMOKIBKRJNC-CQSZACIVSA-N 0 0 421.247 4.010 20 5 HIBDRN COc1cc(CN2CC(C)(C)[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000430098495 858030806 /nfs/dbraw/zinc/03/08/06/858030806.db2.gz DGFKWQOXBYEATG-IBGZPJMESA-N 0 0 407.417 4.225 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000430143205 858052192 /nfs/dbraw/zinc/05/21/92/858052192.db2.gz BNMMQAMLIRXZRO-GHTZIAJQSA-N 0 0 418.490 4.130 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000437651071 862985308 /nfs/dbraw/zinc/98/53/08/862985308.db2.gz CPZFUSCFQOWUPO-UHFFFAOYSA-N 0 0 411.355 4.469 20 5 HIBDRN COc1ccc(CSCC(=O)N(c2ccccn2)C2CCCC2)cc1[N+](=O)[O-] ZINC000430285830 858108868 /nfs/dbraw/zinc/10/88/68/858108868.db2.gz VMJPRUWRYMJJNZ-UHFFFAOYSA-N 0 0 401.488 4.207 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000430338174 858126301 /nfs/dbraw/zinc/12/63/01/858126301.db2.gz OMOVHQZAFZCSLH-UHFFFAOYSA-N 0 0 405.241 4.360 20 5 HIBDRN COc1cc(Br)cc(C)c1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430390905 858143206 /nfs/dbraw/zinc/14/32/06/858143206.db2.gz FIFMTFOROJVRDN-UHFFFAOYSA-N 0 0 409.236 4.000 20 5 HIBDRN Cc1cc(OCC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000430411333 858148619 /nfs/dbraw/zinc/14/86/19/858148619.db2.gz DZQGXNDDEBTCIQ-INIZCTEOSA-N 0 0 420.849 4.132 20 5 HIBDRN CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000430420078 858152090 /nfs/dbraw/zinc/15/20/90/858152090.db2.gz AHGVACVAJSNWGA-JKSUJKDBSA-N 0 0 415.660 4.285 20 5 HIBDRN COc1cc(C(=O)N2CCCSc3ccc(Cl)cc32)c([N+](=O)[O-])cc1OC ZINC000430434406 858160379 /nfs/dbraw/zinc/16/03/79/858160379.db2.gz COEOBRRTVQJLJI-UHFFFAOYSA-N 0 0 408.863 4.408 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430434777 858160657 /nfs/dbraw/zinc/16/06/57/858160657.db2.gz ARTNHNORRTZNTH-PXNSSMCTSA-N 0 0 414.527 4.326 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430532625 858209173 /nfs/dbraw/zinc/20/91/73/858209173.db2.gz YMSASOVPNQYDBH-FQEVSTJZSA-N 0 0 408.458 4.015 20 5 HIBDRN O=C(N[C@@H](CO)CC(F)F)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000430543645 858213476 /nfs/dbraw/zinc/21/34/76/858213476.db2.gz KXYBWOHEQIGPDO-GFCCVEGCSA-N 0 0 416.833 4.145 20 5 HIBDRN CC(C)(NC(=O)COc1ccc(Oc2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000430556561 858217341 /nfs/dbraw/zinc/21/73/41/858217341.db2.gz UVIMMGQKZRXKNF-UHFFFAOYSA-N 0 0 407.426 4.212 20 5 HIBDRN CCOc1ccc(-c2noc(CCC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000430570712 858222792 /nfs/dbraw/zinc/22/27/92/858222792.db2.gz BZUBRVCCVIAJSL-UHFFFAOYSA-N 0 0 424.457 4.028 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000430595975 858231176 /nfs/dbraw/zinc/23/11/76/858231176.db2.gz NHESXTLVPXTZKZ-JTQLQIEISA-N 0 0 423.267 4.279 20 5 HIBDRN Cc1ccc(-c2nc(CNC(=O)c3ccc(Br)cc3[N+](=O)[O-])co2)cc1 ZINC000430597380 858231992 /nfs/dbraw/zinc/23/19/92/858231992.db2.gz LNVGWTSFIHRLEI-UHFFFAOYSA-N 0 0 416.231 4.251 20 5 HIBDRN CC[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Oc1ccccc1C ZINC000430602441 858233084 /nfs/dbraw/zinc/23/30/84/858233084.db2.gz LBJVBPAKAATXOB-CQSZACIVSA-N 0 0 407.264 4.253 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000430601220 858233545 /nfs/dbraw/zinc/23/35/45/858233545.db2.gz CXHWUMBCKBCVMM-SNVBAGLBSA-N 0 0 413.655 4.208 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000430853369 858335110 /nfs/dbraw/zinc/33/51/10/858335110.db2.gz WAWJAVRDLMNHBX-QLJPJBMISA-N 0 0 408.241 4.126 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H](c2cccc(Br)c2)N(C)C1=O ZINC000430858061 858337846 /nfs/dbraw/zinc/33/78/46/858337846.db2.gz OIHRKHDZBMQCHA-ZBEGNZNMSA-N 0 0 418.247 4.054 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)cc1SC ZINC000430862496 858341943 /nfs/dbraw/zinc/34/19/43/858341943.db2.gz OMOMIWAOWWKHPK-SJLPKXTDSA-N 0 0 416.499 4.193 20 5 HIBDRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000430902523 858361645 /nfs/dbraw/zinc/36/16/45/858361645.db2.gz BRLRDGNQUWZZBZ-NSHDSACASA-N 0 0 424.284 4.071 20 5 HIBDRN Cc1ccnc(-c2cccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])c2)n1 ZINC000430908330 858364766 /nfs/dbraw/zinc/36/47/66/858364766.db2.gz IAWZKLNZGOTVLW-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c(Cl)cncc1Cl ZINC000431022018 858406353 /nfs/dbraw/zinc/40/63/53/858406353.db2.gz CCCNYWYEFJZLHF-UHFFFAOYSA-N 0 0 423.178 4.157 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1noc(Cc2ccccc2)n1 ZINC000431072959 858434704 /nfs/dbraw/zinc/43/47/04/858434704.db2.gz HOOSWTWCWLHWKY-NSHDSACASA-N 0 0 401.810 4.105 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000431087492 858441993 /nfs/dbraw/zinc/44/19/93/858441993.db2.gz BIQXZJFQAQVPFH-LBPRGKRZSA-N 0 0 417.314 4.467 20 5 HIBDRN COc1cccc(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC000431136752 858464160 /nfs/dbraw/zinc/46/41/60/858464160.db2.gz JJWQISZPMKZCLD-HNNXBMFYSA-N 0 0 423.238 4.482 20 5 HIBDRN CCO[C@@H](C)c1ncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000431178561 858489473 /nfs/dbraw/zinc/48/94/73/858489473.db2.gz ANLTXERSDQRJSI-VIFPVBQESA-N 0 0 414.281 4.472 20 5 HIBDRN COC(=O)c1ccccc1CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431178524 858489494 /nfs/dbraw/zinc/48/94/94/858489494.db2.gz AKNNOMZROPMLOB-UHFFFAOYSA-N 0 0 421.247 4.024 20 5 HIBDRN Cc1cnn(-c2ccc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)cc2)c1 ZINC000431181007 858491207 /nfs/dbraw/zinc/49/12/07/858491207.db2.gz QELSXZVOUDLCNJ-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CCOc1ncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1Cl ZINC000431184123 858493280 /nfs/dbraw/zinc/49/32/80/858493280.db2.gz RTOVVVCPSYHWQF-UHFFFAOYSA-N 0 0 414.643 4.365 20 5 HIBDRN Cc1c(NC(=O)c2csc([C@@H]3CCCO3)n2)cc(Br)cc1[N+](=O)[O-] ZINC000431185595 858493832 /nfs/dbraw/zinc/49/38/32/858493832.db2.gz ZLSJLVSSOQIERO-ZDUSSCGKSA-N 0 0 412.265 4.226 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])Nc1ccc(F)c(Cl)c1 ZINC000431223093 858513941 /nfs/dbraw/zinc/51/39/41/858513941.db2.gz YNSIHULPBDEMEI-UHFFFAOYSA-N 0 0 403.591 4.167 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2c3c(ccc2Cl)CC(C)(C)O3)cc([N+](=O)[O-])c1 ZINC000431222187 858513951 /nfs/dbraw/zinc/51/39/51/858513951.db2.gz LFXBGOTXGNEDPM-UHFFFAOYSA-N 0 0 404.806 4.001 20 5 HIBDRN COc1cccc2[nH]cc(CC(=O)Nc3cc(Br)cc([N+](=O)[O-])c3C)c21 ZINC000431222427 858514004 /nfs/dbraw/zinc/51/40/04/858514004.db2.gz LPFCRRUERCCFNQ-UHFFFAOYSA-N 0 0 418.247 4.337 20 5 HIBDRN Cc1c(NC(=O)c2cc(F)cc3nccnc32)cc(Br)cc1[N+](=O)[O-] ZINC000431222136 858514115 /nfs/dbraw/zinc/51/41/15/858514115.db2.gz LBQQWIQMDQAHTA-UHFFFAOYSA-N 0 0 405.183 4.000 20 5 HIBDRN CC(=O)Nc1ccc(F)c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431226943 858517001 /nfs/dbraw/zinc/51/70/01/858517001.db2.gz VLPFPSPJJBIPTM-UHFFFAOYSA-N 0 0 410.199 4.016 20 5 HIBDRN O=C(COc1c(Br)cccc1[N+](=O)[O-])Nc1ccc(C(F)(F)F)cc1 ZINC000431232147 858520059 /nfs/dbraw/zinc/52/00/59/858520059.db2.gz XENNVCRMJRDEFB-UHFFFAOYSA-N 0 0 419.153 4.394 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000437696168 863033310 /nfs/dbraw/zinc/03/33/10/863033310.db2.gz KHENLSQNLSVCTM-YJBOKZPZSA-N 0 0 424.906 4.003 20 5 HIBDRN Cc1c(NC(=O)Cc2ccc(OC(F)F)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000431245954 858527797 /nfs/dbraw/zinc/52/77/97/858527797.db2.gz KJEUCGULBVJVIC-UHFFFAOYSA-N 0 0 415.190 4.448 20 5 HIBDRN COc1cc(C)c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1OC ZINC000431248585 858529535 /nfs/dbraw/zinc/52/95/35/858529535.db2.gz IMAGWHHKJIHCMF-UHFFFAOYSA-N 0 0 409.236 4.244 20 5 HIBDRN O=C1N[C@H](C2CC2)C(=O)N1Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000431247970 858530094 /nfs/dbraw/zinc/53/00/94/858530094.db2.gz NOBFCRSCWFMVBR-QGZVFWFLSA-N 0 0 419.796 4.010 20 5 HIBDRN CC(C)N1CC(=O)N(Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1=O ZINC000431252579 858532674 /nfs/dbraw/zinc/53/26/74/858532674.db2.gz LQLGSEJZVHAVHV-UHFFFAOYSA-N 0 0 421.812 4.352 20 5 HIBDRN CO[C@](C)(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccccc1F ZINC000431255506 858534824 /nfs/dbraw/zinc/53/48/24/858534824.db2.gz BRJWYVFRISGQEO-KRWDZBQOSA-N 0 0 411.227 4.305 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000431263278 858538322 /nfs/dbraw/zinc/53/83/22/858538322.db2.gz ACBWUZUBMTXMCK-QYWGDWMGSA-N 0 0 422.547 4.286 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCc1ccccn1)Cc1cccnc1 ZINC000431315253 858560462 /nfs/dbraw/zinc/56/04/62/858560462.db2.gz XSQQHVOPXYDUPY-NRFANRHFSA-N 0 0 418.497 4.225 20 5 HIBDRN CN(Cc1ccc(F)cc1Cl)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431440594 858616900 /nfs/dbraw/zinc/61/69/00/858616900.db2.gz KCMVVMNHDNHOBT-UHFFFAOYSA-N 0 0 401.619 4.422 20 5 HIBDRN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431477207 858636010 /nfs/dbraw/zinc/63/60/10/858636010.db2.gz LHYCKDHXXAYWHG-ONGXEEELSA-N 0 0 409.202 4.456 20 5 HIBDRN O=C(Nc1ccccc1OCC(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431497451 858644651 /nfs/dbraw/zinc/64/46/51/858644651.db2.gz WBAHNNUWPRROMB-UHFFFAOYSA-N 0 0 401.163 4.254 20 5 HIBDRN O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431640096 858705806 /nfs/dbraw/zinc/70/58/06/858705806.db2.gz PCNYPCUSBWUWRC-UHFFFAOYSA-N 0 0 413.611 4.034 20 5 HIBDRN CN(Cc1nc2ccccc2s1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431651853 858714194 /nfs/dbraw/zinc/71/41/94/858714194.db2.gz OXUGEYHORDMDKC-UHFFFAOYSA-N 0 0 406.261 4.239 20 5 HIBDRN Cc1nn(CCC(=O)N2CC[C@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000437727574 863056703 /nfs/dbraw/zinc/05/67/03/863056703.db2.gz YINWZSFGPRFJEW-KPZWWZAWSA-N 0 0 424.423 4.427 20 5 HIBDRN O=C([C@H]1C[C@@H]1C1CC1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000431703017 858751066 /nfs/dbraw/zinc/75/10/66/858751066.db2.gz FEXCRTLQNUUPEN-MOPGFXCFSA-N 0 0 411.527 4.014 20 5 HIBDRN O=C(c1cc(N2CC[C@H](OCCCc3ccccc3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000431818157 858826083 /nfs/dbraw/zinc/82/60/83/858826083.db2.gz NQKXDOVXLIMWLS-NRFANRHFSA-N 0 0 423.513 4.059 20 5 HIBDRN COc1cccc(Oc2ccc(CNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cn2)c1 ZINC000431832962 858831945 /nfs/dbraw/zinc/83/19/45/858831945.db2.gz MLSVQVIKKGZBEX-UHFFFAOYSA-N 0 0 421.453 4.385 20 5 HIBDRN CCOc1ccc(CCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000431881266 858853834 /nfs/dbraw/zinc/85/38/34/858853834.db2.gz JIAPKUZVOBFMHI-UHFFFAOYSA-N 0 0 415.490 4.169 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCSC[C@H]1c1ccccc1 ZINC000431946255 858882029 /nfs/dbraw/zinc/88/20/29/858882029.db2.gz OCCZUJQFYAKIKN-INIZCTEOSA-N 0 0 407.289 4.288 20 5 HIBDRN O=C(Nc1nc(-c2cccc(O)c2)cs1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431946060 858882107 /nfs/dbraw/zinc/88/21/07/858882107.db2.gz MOCFOZDBFRMIPG-UHFFFAOYSA-N 0 0 420.244 4.439 20 5 HIBDRN Cc1ccc([C@H](C)N2C(=O)[C@@H](c3cc(F)c(F)c(F)c3)N(C)C2=O)cc1[N+](=O)[O-] ZINC000431954902 858885840 /nfs/dbraw/zinc/88/58/40/858885840.db2.gz OLSLYQAKPROTIP-DYZYQPBXSA-N 0 0 407.348 4.017 20 5 HIBDRN Cc1ccc([C@@H](C)N2C(=O)N[C@H](Cc3cccc4ccccc43)C2=O)cc1[N+](=O)[O-] ZINC000431960130 858888341 /nfs/dbraw/zinc/88/83/41/858888341.db2.gz ZVAVONRXQDGWPI-FOIQADDNSA-N 0 0 403.438 4.281 20 5 HIBDRN C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000432008222 858922780 /nfs/dbraw/zinc/92/27/80/858922780.db2.gz UMRIMVROACHTQM-CQSZACIVSA-N 0 0 410.474 4.034 20 5 HIBDRN Cc1ccc(CN(CCO)C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)o1 ZINC000432167287 859027176 /nfs/dbraw/zinc/02/71/76/859027176.db2.gz VKTDWFIJFIEHDK-UHFFFAOYSA-N 0 0 411.414 4.315 20 5 HIBDRN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC[C@@H]1c1ccccc1 ZINC000432187866 859037173 /nfs/dbraw/zinc/03/71/73/859037173.db2.gz XPJHGNFBMYHTQY-WMZOPIPTSA-N 0 0 405.454 4.174 20 5 HIBDRN Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000432212258 859049784 /nfs/dbraw/zinc/04/97/84/859049784.db2.gz GITXLNAOGXHHHD-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COc1cccc2c1CCCN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000432257709 859072341 /nfs/dbraw/zinc/07/23/41/859072341.db2.gz IAUGFCWBAAZLSO-UHFFFAOYSA-N 0 0 417.270 4.052 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3cc(F)cc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000432264249 859074632 /nfs/dbraw/zinc/07/46/32/859074632.db2.gz VZEDDAYMTRVREB-UHFFFAOYSA-N 0 0 422.844 4.140 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432319163 859100779 /nfs/dbraw/zinc/10/07/79/859100779.db2.gz WRJJOCAHVOMNFB-UHFFFAOYSA-N 0 0 400.822 4.246 20 5 HIBDRN COc1cccc(OC)c1OC1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432329130 859105815 /nfs/dbraw/zinc/10/58/15/859105815.db2.gz ZUJQSVXWNJYSPM-UHFFFAOYSA-N 0 0 409.442 4.208 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)cc1 ZINC000432340238 859110095 /nfs/dbraw/zinc/11/00/95/859110095.db2.gz XOPBDKBJLWXVOU-QGZVFWFLSA-N 0 0 419.485 4.490 20 5 HIBDRN CN(C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl ZINC000467562480 881386170 /nfs/dbraw/zinc/38/61/70/881386170.db2.gz MCBBMCVMHHUANS-QGZVFWFLSA-N 0 0 411.289 4.004 20 5 HIBDRN COc1ccc(-c2ccc(CNc3cccc(N4CCNC4=O)c3)o2)c([N+](=O)[O-])c1 ZINC000432416270 859155213 /nfs/dbraw/zinc/15/52/13/859155213.db2.gz YXSPAYFIYNJKBO-UHFFFAOYSA-N 0 0 408.414 4.005 20 5 HIBDRN C[C@H]1COCC[C@H]1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000432443588 859167697 /nfs/dbraw/zinc/16/76/97/859167697.db2.gz ZBJKORYKZQYDTL-SUMWQHHRSA-N 0 0 403.866 4.015 20 5 HIBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000432453167 859170847 /nfs/dbraw/zinc/17/08/47/859170847.db2.gz HQPIJWNOUCSDPP-HNNXBMFYSA-N 0 0 410.396 4.042 20 5 HIBDRN COc1ccc(CSCc2nc(-c3ccc(C)cc3OC)no2)cc1[N+](=O)[O-] ZINC000432541937 859217952 /nfs/dbraw/zinc/21/79/52/859217952.db2.gz QGOCWHOAPVVFEW-UHFFFAOYSA-N 0 0 401.444 4.404 20 5 HIBDRN O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000467583275 881398732 /nfs/dbraw/zinc/39/87/32/881398732.db2.gz HPOHUWKHPHQFTI-GOSISDBHSA-N 0 0 423.860 4.032 20 5 HIBDRN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432642692 859268572 /nfs/dbraw/zinc/26/85/72/859268572.db2.gz FVRSPNFKDXFAOQ-IAGOWNOFSA-N 0 0 423.238 4.147 20 5 HIBDRN Cc1c(F)c([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1Br ZINC000432652116 859274328 /nfs/dbraw/zinc/27/43/28/859274328.db2.gz KQOMWVBNKFMPBD-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN COCCN(C(=O)C1Cc2ccccc2C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000432719721 859317537 /nfs/dbraw/zinc/31/75/37/859317537.db2.gz SLVHGSWNHNZBPR-UHFFFAOYSA-N 0 0 423.494 4.113 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000432725618 859322069 /nfs/dbraw/zinc/32/20/69/859322069.db2.gz OZSWBOHKYIUVST-UHFFFAOYSA-N 0 0 417.828 4.318 20 5 HIBDRN C[C@@H]1CCS(=O)(=O)CCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000432813115 859371194 /nfs/dbraw/zinc/37/11/94/859371194.db2.gz LOITXGQUVRCEML-CQSZACIVSA-N 0 0 424.906 4.050 20 5 HIBDRN CC(=O)Nc1ccc(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])cn1 ZINC000432844612 859385420 /nfs/dbraw/zinc/38/54/20/859385420.db2.gz YIGHGQZBLGJUBY-UHFFFAOYSA-N 0 0 419.441 4.121 20 5 HIBDRN CC(C)(C)OC1CC(CCNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 ZINC000432879976 859404745 /nfs/dbraw/zinc/40/47/45/859404745.db2.gz RDAHDAZHQXXZJR-UHFFFAOYSA-N 0 0 420.897 4.190 20 5 HIBDRN CC(C)(C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000432879722 859404782 /nfs/dbraw/zinc/40/47/82/859404782.db2.gz QIOCLQITLSUNBJ-UHFFFAOYSA-N 0 0 409.486 4.066 20 5 HIBDRN CCCNC(=O)c1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000432917867 859430165 /nfs/dbraw/zinc/43/01/65/859430165.db2.gz MQDVSTXEHOINRW-UHFFFAOYSA-N 0 0 418.881 4.445 20 5 HIBDRN Cc1cc(N2CCC(c3ncc4n3CCCC4)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000432939113 859439130 /nfs/dbraw/zinc/43/91/30/859439130.db2.gz PZEFRYMVOWNQSC-UHFFFAOYSA-N 0 0 418.501 4.277 20 5 HIBDRN O=[N+]([O-])c1cnc(N2CCC(Nc3cccc(Br)c3)CC2)c(Cl)c1 ZINC000432945640 859441283 /nfs/dbraw/zinc/44/12/83/859441283.db2.gz UCAUGLCKTZZVHQ-UHFFFAOYSA-N 0 0 411.687 4.487 20 5 HIBDRN CC(C)N(c1cnc2ccccc2c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000432970595 859455320 /nfs/dbraw/zinc/45/53/20/859455320.db2.gz KGTPRINRLHRJDJ-UHFFFAOYSA-N 0 0 405.863 4.400 20 5 HIBDRN CCNC(=O)Nc1cccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C ZINC000433199845 859564831 /nfs/dbraw/zinc/56/48/31/859564831.db2.gz NCHFEOADHVXVID-UHFFFAOYSA-N 0 0 408.462 4.057 20 5 HIBDRN C[C@@H](NC(=O)Nc1cc(-c2ccc(F)cc2F)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000433404233 859679921 /nfs/dbraw/zinc/67/99/21/859679921.db2.gz VLHCGVLVECDQPW-LLVKDONJSA-N 0 0 401.373 4.156 20 5 HIBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccc(F)cc2C1 ZINC000433552190 859771414 /nfs/dbraw/zinc/77/14/14/859771414.db2.gz ZXXZEYPGPDEQNG-UHFFFAOYSA-N 0 0 414.380 4.430 20 5 HIBDRN COc1ccc(NC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)cc1[N+](=O)[O-] ZINC000433687634 859837646 /nfs/dbraw/zinc/83/76/46/859837646.db2.gz FUJYCYSBKJVJMP-UHFFFAOYSA-N 0 0 401.325 4.321 20 5 HIBDRN Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)NCc2ccccc2[N+](=O)[O-])n1 ZINC000433690138 859838597 /nfs/dbraw/zinc/83/85/97/859838597.db2.gz MFPVWFYZEPPUOL-UHFFFAOYSA-N 0 0 421.335 4.294 20 5 HIBDRN Cc1ccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(OCC(F)(F)F)c1 ZINC000433698109 859841786 /nfs/dbraw/zinc/84/17/86/859841786.db2.gz TVIGYIFOVOMAMJ-MRXNPFEDSA-N 0 0 409.364 4.062 20 5 HIBDRN CSC1(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCC1 ZINC000433706134 859845796 /nfs/dbraw/zinc/84/57/96/859845796.db2.gz CNTVGUIEUVUQJT-AWEZNQCLSA-N 0 0 400.504 4.178 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1C ZINC000433737670 859866237 /nfs/dbraw/zinc/86/62/37/859866237.db2.gz YUKZFPOLACLGAJ-UHFFFAOYSA-N 0 0 411.462 4.241 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1[N+](=O)[O-] ZINC000433750342 859874692 /nfs/dbraw/zinc/87/46/92/859874692.db2.gz GWOFHLMJGHMDDF-UHFFFAOYSA-N 0 0 423.401 4.419 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NCCOCC(F)(F)C(F)F)c([N+](=O)[O-])c1 ZINC000433788256 859893303 /nfs/dbraw/zinc/89/33/03/859893303.db2.gz DARXCIOQLVFVHT-UHFFFAOYSA-N 0 0 400.328 4.155 20 5 HIBDRN COc1cc([C@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000433825847 859916275 /nfs/dbraw/zinc/91/62/75/859916275.db2.gz IZPFRNNTAJELNM-ZDUSSCGKSA-N 0 0 416.478 4.262 20 5 HIBDRN O=C([C@@H]1C[C@H]1C1CC1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000433857582 859938853 /nfs/dbraw/zinc/93/88/53/859938853.db2.gz FEXCRTLQNUUPEN-RBUKOAKNSA-N 0 0 411.527 4.014 20 5 HIBDRN O=C([C@H]1C[C@H]1C1CC1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000433857581 859938969 /nfs/dbraw/zinc/93/89/69/859938969.db2.gz FEXCRTLQNUUPEN-OALUTQOASA-N 0 0 411.527 4.014 20 5 HIBDRN Cc1c(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)noc1-c1ccccc1F ZINC000433902474 859960895 /nfs/dbraw/zinc/96/08/95/859960895.db2.gz CCOSYJWYNLGJME-UHFFFAOYSA-N 0 0 412.421 4.842 20 5 HIBDRN C[C@@H](c1cccc(O)c1)N(C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000433925303 859976728 /nfs/dbraw/zinc/97/67/28/859976728.db2.gz GTLXAGAPHRZGDQ-LBPRGKRZSA-N 0 0 411.380 4.341 20 5 HIBDRN CC(C)(c1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1)C(F)(F)F ZINC000433973175 860011135 /nfs/dbraw/zinc/01/11/35/860011135.db2.gz WFPMVMIVUAFAHC-HNNXBMFYSA-N 0 0 422.407 4.156 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cc(Br)ccc1F ZINC000434008196 860036784 /nfs/dbraw/zinc/03/67/84/860036784.db2.gz LALFGOMWSRDGGP-UHFFFAOYSA-N 0 0 409.255 4.476 20 5 HIBDRN O=C(Cc1cc(Cl)ccc1Br)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000434010401 860037054 /nfs/dbraw/zinc/03/70/54/860037054.db2.gz DCQBMZRTZRSPIL-UHFFFAOYSA-N 0 0 409.667 4.138 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2cc(-c3cc(Cl)cc(Cl)c3)[nH]n2)c1[N+](=O)[O-] ZINC000434014318 860040754 /nfs/dbraw/zinc/04/07/54/860040754.db2.gz WQVDGYKQSMFPTL-UHFFFAOYSA-N 0 0 409.233 4.391 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(F)(c2ccccc2)CC1 ZINC000434024430 860047104 /nfs/dbraw/zinc/04/71/04/860047104.db2.gz WLFZISKTCCOANA-UHFFFAOYSA-N 0 0 421.266 4.387 20 5 HIBDRN CC[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])Oc1ccccc1C(F)(F)F ZINC000434026015 860048894 /nfs/dbraw/zinc/04/88/94/860048894.db2.gz QTNZYFWAMCLDKN-NSHDSACASA-N 0 0 414.384 4.048 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000434049207 860063696 /nfs/dbraw/zinc/06/36/96/860063696.db2.gz NCDZFGHVBOTVCI-LBPRGKRZSA-N 0 0 420.853 4.104 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000434075870 860084705 /nfs/dbraw/zinc/08/47/05/860084705.db2.gz TUQJAUAMZQFDFW-UHFFFAOYSA-N 0 0 406.442 4.275 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N(Cc2ccc(Br)cc2)C(C)C)c1[N+](=O)[O-] ZINC000434226152 860212353 /nfs/dbraw/zinc/21/23/53/860212353.db2.gz PMMPLKLUFQRYMP-UHFFFAOYSA-N 0 0 409.284 4.255 20 5 HIBDRN Cc1c(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000434258340 860236429 /nfs/dbraw/zinc/23/64/29/860236429.db2.gz XUQCWMFBYBLERU-UHFFFAOYSA-N 0 0 423.860 4.067 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000434329412 860291196 /nfs/dbraw/zinc/29/11/96/860291196.db2.gz YQTUWAPKPFKNMS-MLGOLLRUSA-N 0 0 420.453 4.118 20 5 HIBDRN CCCOc1cccc(CCNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 ZINC000434331267 860292883 /nfs/dbraw/zinc/29/28/83/860292883.db2.gz ZDNGWBNCFVKPAN-UHFFFAOYSA-N 0 0 404.488 4.087 20 5 HIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000434365920 860314758 /nfs/dbraw/zinc/31/47/58/860314758.db2.gz AZTPSNYUFDWBTD-UHFFFAOYSA-N 0 0 410.861 4.498 20 5 HIBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000434384895 860325636 /nfs/dbraw/zinc/32/56/36/860325636.db2.gz PHKWPJCKJFMBDB-UHFFFAOYSA-N 0 0 415.453 4.326 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1nccn1-c1ccccc1 ZINC000434630538 860439345 /nfs/dbraw/zinc/43/93/45/860439345.db2.gz LOBRRICZVRMJEF-UHFFFAOYSA-N 0 0 410.455 4.012 20 5 HIBDRN Cn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1-c1ccccc1Cl ZINC000434794292 860496739 /nfs/dbraw/zinc/49/67/39/860496739.db2.gz DMFBGPBXMOWRSW-UHFFFAOYSA-N 0 0 401.835 4.477 20 5 HIBDRN COc1cc(OC)cc(-c2nnc(SCc3nc4cc([N+](=O)[O-])ccc4o3)o2)c1 ZINC000434814436 860504959 /nfs/dbraw/zinc/50/49/59/860504959.db2.gz OEFWJEQFDSGWBC-UHFFFAOYSA-N 0 0 414.399 4.096 20 5 HIBDRN O=c1[nH]c(C=Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)nc2cnccc12 ZINC000434930112 860558692 /nfs/dbraw/zinc/55/86/92/860558692.db2.gz FFBWSBLABAGGJV-WAPJZHGLSA-N 0 0 404.357 4.328 20 5 HIBDRN Cc1cc(S(C)(=O)=O)cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000435080346 860632735 /nfs/dbraw/zinc/63/27/35/860632735.db2.gz SCPKLFJIPSBGFO-UHFFFAOYSA-N 0 0 419.503 4.058 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435127151 860653102 /nfs/dbraw/zinc/65/31/02/860653102.db2.gz AFMQHSZINQWBAL-JTQLQIEISA-N 0 0 400.382 4.482 20 5 HIBDRN Cc1cccc(S(=O)(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1Br ZINC000435215631 860696686 /nfs/dbraw/zinc/69/66/86/860696686.db2.gz JLCOMVBZKLAATA-GFCCVEGCSA-N 0 0 413.293 4.014 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000435230855 860701341 /nfs/dbraw/zinc/70/13/41/860701341.db2.gz DXXRWFGQZNJCGW-AWEZNQCLSA-N 0 0 405.472 4.226 20 5 HIBDRN CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000435274684 860712591 /nfs/dbraw/zinc/71/25/91/860712591.db2.gz LITOXRKSRWECJM-QGZVFWFLSA-N 0 0 407.829 4.182 20 5 HIBDRN Cc1ccc([C@H]2COCCN2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)o1 ZINC000435322230 860734073 /nfs/dbraw/zinc/73/40/73/860734073.db2.gz BAXKNLUACMNUNK-OAHLLOKOSA-N 0 0 424.251 4.173 20 5 HIBDRN Cc1c(NC(=O)N(C[C@@H](C)O)C2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435322575 860734328 /nfs/dbraw/zinc/73/43/28/860734328.db2.gz DYZXHTNBTUUDCB-LLVKDONJSA-N 0 0 414.300 4.213 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCOc3c(F)cccc32)cc(Br)cc1[N+](=O)[O-] ZINC000435322881 860734685 /nfs/dbraw/zinc/73/46/85/860734685.db2.gz HREGIJPZPKUKPR-ZDUSSCGKSA-N 0 0 424.226 4.450 20 5 HIBDRN COCCN(Cc1ccccc1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435324056 860735406 /nfs/dbraw/zinc/73/54/06/860735406.db2.gz RWBVYSKLFJWJCK-UHFFFAOYSA-N 0 0 422.279 4.346 20 5 HIBDRN CC1(C)Cc2ccc(Cl)c(NC(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)c2O1 ZINC000435324278 860735727 /nfs/dbraw/zinc/73/57/27/860735727.db2.gz VAGWGUQHKRMDBE-UHFFFAOYSA-N 0 0 415.837 4.160 20 5 HIBDRN Cc1c(NC(=O)N(C)Cc2cc(Cl)cn2C)cc(Br)cc1[N+](=O)[O-] ZINC000435326504 860737328 /nfs/dbraw/zinc/73/73/28/860737328.db2.gz DBYCOBSCILAAIX-UHFFFAOYSA-N 0 0 415.675 4.322 20 5 HIBDRN Cc1ccc(C(C)(C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cn1 ZINC000435327069 860738248 /nfs/dbraw/zinc/73/82/48/860738248.db2.gz FXZKRTVCVZOQCY-UHFFFAOYSA-N 0 0 407.268 4.426 20 5 HIBDRN Cc1c(NC(=O)N2CCC(C(F)(F)F)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435326748 860738528 /nfs/dbraw/zinc/73/85/28/860738528.db2.gz DRZVYXNPVQLFGG-UHFFFAOYSA-N 0 0 410.190 4.472 20 5 HIBDRN COc1ccccc1CCN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435327940 860739264 /nfs/dbraw/zinc/73/92/64/860739264.db2.gz JHEFQJLNIUGJEG-UHFFFAOYSA-N 0 0 422.279 4.381 20 5 HIBDRN COCC[C@@H]1CCCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435330472 860741574 /nfs/dbraw/zinc/74/15/74/860741574.db2.gz SXXBSTCBDWSNPN-ZDUSSCGKSA-N 0 0 414.300 4.336 20 5 HIBDRN Cc1c(NC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000435331170 860742464 /nfs/dbraw/zinc/74/24/64/860742464.db2.gz YXUQLBTXKXDUEI-XOKHGSTOSA-N 0 0 402.248 4.126 20 5 HIBDRN Cc1nc(CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)sc1C ZINC000435330890 860742478 /nfs/dbraw/zinc/74/24/78/860742478.db2.gz XBXCQTOSTQPGNR-UHFFFAOYSA-N 0 0 413.297 4.103 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCc3c2cccc3O)cc(Br)cc1[N+](=O)[O-] ZINC000435333356 860743968 /nfs/dbraw/zinc/74/39/68/860743968.db2.gz PEEHGOIGKGHDOH-ZDUSSCGKSA-N 0 0 406.236 4.180 20 5 HIBDRN COc1cc(CCC(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000435363597 860763297 /nfs/dbraw/zinc/76/32/97/860763297.db2.gz LNKUSYYTSQUDAO-UHFFFAOYSA-N 0 0 400.822 4.014 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435387670 860780606 /nfs/dbraw/zinc/78/06/06/860780606.db2.gz BRJOCKPBLXCVPP-SECBINFHSA-N 0 0 403.357 4.229 20 5 HIBDRN O=C(CCOC[C@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435444393 860801342 /nfs/dbraw/zinc/80/13/42/860801342.db2.gz SJXFLZUMQKYCGC-CQSZACIVSA-N 0 0 408.501 4.332 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)c([N+](=O)[O-])cc1OC ZINC000435457019 860805473 /nfs/dbraw/zinc/80/54/73/860805473.db2.gz JCUXMTHXSHULNY-MJGOQNOKSA-N 0 0 414.458 4.040 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCCC[C@H]2Oc2cccc(C)c2)c([N+](=O)[O-])cc1OC ZINC000435457020 860805520 /nfs/dbraw/zinc/80/55/20/860805520.db2.gz JCUXMTHXSHULNY-PKOBYXMFSA-N 0 0 414.458 4.040 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](COc1c(C)cccc1C)c1ccccc1 ZINC000435461996 860807095 /nfs/dbraw/zinc/80/70/95/860807095.db2.gz FLKYHJDQLZBOFI-FQEVSTJZSA-N 0 0 422.485 4.043 20 5 HIBDRN CC(C)[C@H](C)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435486525 860816990 /nfs/dbraw/zinc/81/69/90/860816990.db2.gz IGURSPIYMHWUPM-LBPRGKRZSA-N 0 0 407.517 4.249 20 5 HIBDRN C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)C1 ZINC000435487793 860817989 /nfs/dbraw/zinc/81/79/89/860817989.db2.gz VSTZETOPKODHMW-OLZOCXBDSA-N 0 0 419.528 4.441 20 5 HIBDRN O=C(Nc1ccccc1-c1cccs1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000435518860 860836077 /nfs/dbraw/zinc/83/60/77/860836077.db2.gz KQAXNMMQEXVYGA-UHFFFAOYSA-N 0 0 421.434 4.229 20 5 HIBDRN Cc1c(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1F ZINC000435545202 860859793 /nfs/dbraw/zinc/85/97/93/860859793.db2.gz IZEGVSGNVLAAQW-UHFFFAOYSA-N 0 0 411.437 4.372 20 5 HIBDRN C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000467787101 881609751 /nfs/dbraw/zinc/60/97/51/881609751.db2.gz WPTBTDXITKOXKP-JTQLQIEISA-N 0 0 408.423 4.147 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1F ZINC000435813175 861078853 /nfs/dbraw/zinc/07/88/53/861078853.db2.gz DWTOAJXMSHGKEI-GFCCVEGCSA-N 0 0 408.404 4.459 20 5 HIBDRN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435816213 861079746 /nfs/dbraw/zinc/07/97/46/861079746.db2.gz IKJQFWLKGAVCTE-JOCHJYFZSA-N 0 0 415.493 4.231 20 5 HIBDRN Cc1nn(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1-c1ccccc1 ZINC000435816528 861082381 /nfs/dbraw/zinc/08/23/81/861082381.db2.gz HJKZWTLIQPTPBZ-OAQYLSRUSA-N 0 0 408.483 4.041 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000467788969 881611071 /nfs/dbraw/zinc/61/10/71/881611071.db2.gz OLHRSMHFWVQOGF-UHFFFAOYSA-N 0 0 408.479 4.266 20 5 HIBDRN O=C(N[C@H]1CCOc2ccccc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435822977 861088407 /nfs/dbraw/zinc/08/84/07/861088407.db2.gz XDPXZWVUPCDPBK-SFHVURJKSA-N 0 0 406.388 4.213 20 5 HIBDRN CCCC1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 ZINC000435832351 861094887 /nfs/dbraw/zinc/09/48/87/861094887.db2.gz AAQYTWSHPHHUIV-UHFFFAOYSA-N 0 0 419.528 4.443 20 5 HIBDRN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(c2ccccc2Cl)CC1 ZINC000435833939 861096430 /nfs/dbraw/zinc/09/64/30/861096430.db2.gz HSYKUKGMBDMRSE-UHFFFAOYSA-N 0 0 417.896 4.297 20 5 HIBDRN C[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)[C@H]1C ZINC000435838413 861100126 /nfs/dbraw/zinc/10/01/26/861100126.db2.gz YKNDSCSVQVUULF-NEPJUHHUSA-N 0 0 405.501 4.003 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000435842509 861102178 /nfs/dbraw/zinc/10/21/78/861102178.db2.gz CRQRERIITZRDRG-BETUJISGSA-N 0 0 417.512 4.005 20 5 HIBDRN C[C@@H](CO)N(CC1CCC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000435844271 861104442 /nfs/dbraw/zinc/10/44/42/861104442.db2.gz IECRXTYQYJTZAH-HNNXBMFYSA-N 0 0 400.500 4.369 20 5 HIBDRN Cc1cc(S(=O)(=O)N(c2ccccc2)C2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000467791173 881614463 /nfs/dbraw/zinc/61/44/63/881614463.db2.gz WRTUEPWKVHQVAI-UHFFFAOYSA-N 0 0 408.479 4.266 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC=C(c2ccc(O)cc2)CC1 ZINC000435871806 861131541 /nfs/dbraw/zinc/13/15/41/861131541.db2.gz VCMOEHSXBFMZGD-UHFFFAOYSA-N 0 0 414.436 4.456 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1c(F)cc(Br)cc1Cl ZINC000435903230 861161481 /nfs/dbraw/zinc/16/14/81/861161481.db2.gz QBCLVYIBUXEOGU-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN O=C(NCc1ccc(=O)[nH]c1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467795528 881619410 /nfs/dbraw/zinc/61/94/10/881619410.db2.gz CHDWPJZCSSURSO-UHFFFAOYSA-N 0 0 415.858 4.430 20 5 HIBDRN O=C(NCCCN1CCc2ccccc21)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435931020 861189117 /nfs/dbraw/zinc/18/91/17/861189117.db2.gz RLIYAWBZSMYOSD-UHFFFAOYSA-N 0 0 415.468 4.003 20 5 HIBDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437811411 863139477 /nfs/dbraw/zinc/13/94/77/863139477.db2.gz QRPLFGNKNLYZIE-UHFFFAOYSA-N 0 0 424.501 4.486 20 5 HIBDRN O=C(NCCc1ccccc1OC(F)(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437983226 863348182 /nfs/dbraw/zinc/34/81/82/863348182.db2.gz BPJBEFHFDDTIDA-UHFFFAOYSA-N 0 0 423.391 4.410 20 5 HIBDRN O=C(NCc1ccc(Br)s1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437996692 863359764 /nfs/dbraw/zinc/35/97/64/863359764.db2.gz GQOXBNSENSZYNJ-UHFFFAOYSA-N 0 0 410.293 4.293 20 5 HIBDRN CC[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Oc1ccccc1F ZINC000437999508 863361143 /nfs/dbraw/zinc/36/11/43/863361143.db2.gz OLCILSWDCWHQAJ-QGZVFWFLSA-N 0 0 401.438 4.266 20 5 HIBDRN COc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C(F)(F)F)c1 ZINC000438014352 863373807 /nfs/dbraw/zinc/37/38/07/863373807.db2.gz RCDWGRZFLKFPGP-UHFFFAOYSA-N 0 0 423.391 4.496 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1I)N(CC1CC1)c1ccccc1 ZINC000438028471 863387798 /nfs/dbraw/zinc/38/77/98/863387798.db2.gz SJFBVSSQYDNUSO-UHFFFAOYSA-N 0 0 422.222 4.256 20 5 HIBDRN CC(C)(CO)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000438177679 863602944 /nfs/dbraw/zinc/60/29/44/863602944.db2.gz NFJAFOCHTWUPAY-INIZCTEOSA-N 0 0 410.392 4.146 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N(CCc2ccccn2)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000438284727 863757310 /nfs/dbraw/zinc/75/73/10/863757310.db2.gz ZQBPDHRIZURIAS-GOSISDBHSA-N 0 0 419.485 4.209 20 5 HIBDRN CN(CCC1CC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000438431819 863862961 /nfs/dbraw/zinc/86/29/61/863862961.db2.gz LZEYYSNQSYUXHL-UHFFFAOYSA-N 0 0 405.501 4.005 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc2ccn(C)c2c1)c1ccccc1[N+](=O)[O-] ZINC000438477092 863893957 /nfs/dbraw/zinc/89/39/57/863893957.db2.gz RFKURQFWOWOWOS-SFHVURJKSA-N 0 0 424.457 4.291 20 5 HIBDRN COC(=O)[C@H](CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)CC(C)C ZINC000438488631 863906911 /nfs/dbraw/zinc/90/69/11/863906911.db2.gz HIUCSXFHUVNALS-HNNXBMFYSA-N 0 0 415.446 4.344 20 5 HIBDRN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000438540557 863965715 /nfs/dbraw/zinc/96/57/15/863965715.db2.gz KKMIEGOCNQZVDZ-ZJUUUORDSA-N 0 0 409.202 4.456 20 5 HIBDRN O=C(Nc1cccc(CC(F)(F)F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438561886 863994953 /nfs/dbraw/zinc/99/49/53/863994953.db2.gz MQUWOCPHFPSJRA-UHFFFAOYSA-N 0 0 408.380 4.054 20 5 HIBDRN CCCn1ccc2cc(NC(=O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)ccc21 ZINC000438656330 864099690 /nfs/dbraw/zinc/09/96/90/864099690.db2.gz PLJUXVFSYIBXJV-UHFFFAOYSA-N 0 0 422.485 4.335 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000438659815 864106777 /nfs/dbraw/zinc/10/67/77/864106777.db2.gz FETUZRFCAZOXDO-UHFFFAOYSA-N 0 0 403.822 4.147 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000438659745 864107037 /nfs/dbraw/zinc/10/70/37/864107037.db2.gz HBWNEKYJZPJKNV-UHFFFAOYSA-N 0 0 417.849 4.455 20 5 HIBDRN Cc1cccc(C(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2cccc(C)c2)c1 ZINC000438732805 864218829 /nfs/dbraw/zinc/21/88/29/864218829.db2.gz LYUWZVWQYMAIIQ-UHFFFAOYSA-N 0 0 403.438 4.056 20 5 HIBDRN CN(Cc1nc(-c2cccnc2Oc2ccccc2)no1)c1ccccc1[N+](=O)[O-] ZINC000438750293 864240308 /nfs/dbraw/zinc/24/03/08/864240308.db2.gz BKDJSPBKUDYIMS-UHFFFAOYSA-N 0 0 403.398 4.469 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)Nc2cccc(C(F)F)c2)cc1[N+](=O)[O-] ZINC000438761524 864255425 /nfs/dbraw/zinc/25/54/25/864255425.db2.gz BEYJPXVJYLQAHY-UHFFFAOYSA-N 0 0 421.219 4.404 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000438813331 864303630 /nfs/dbraw/zinc/30/36/30/864303630.db2.gz XCOMTWJUSSZCHP-UHFFFAOYSA-N 0 0 423.647 4.259 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)c1 ZINC000438821099 864314980 /nfs/dbraw/zinc/31/49/80/864314980.db2.gz RMXIICXHBVBOKA-UHFFFAOYSA-N 0 0 400.822 4.272 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@]12CCc1ccccc12 ZINC000438887154 864371643 /nfs/dbraw/zinc/37/16/43/864371643.db2.gz YJMIGTHYLODORC-JXFKEZNVSA-N 0 0 419.403 4.046 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1Br ZINC000438903770 864384931 /nfs/dbraw/zinc/38/49/31/864384931.db2.gz XGIQBDMIGBWEFS-LBPRGKRZSA-N 0 0 407.264 4.094 20 5 HIBDRN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000438915857 864395238 /nfs/dbraw/zinc/39/52/38/864395238.db2.gz ABCRGIKSMKWUCV-MDZRGWNJSA-N 0 0 402.834 4.338 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438938277 864415112 /nfs/dbraw/zinc/41/51/12/864415112.db2.gz NVRNPKGOMARZFF-SECBINFHSA-N 0 0 418.803 4.423 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000438942528 864417865 /nfs/dbraw/zinc/41/78/65/864417865.db2.gz QBTWNGGKRBBTAU-UHFFFAOYSA-N 0 0 404.637 4.067 20 5 HIBDRN CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438949953 864422404 /nfs/dbraw/zinc/42/24/04/864422404.db2.gz FLNUYRRJCATZMF-UHFFFAOYSA-N 0 0 401.850 4.416 20 5 HIBDRN Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000438954278 864425437 /nfs/dbraw/zinc/42/54/37/864425437.db2.gz CNBNDKXWZUBHMM-UHFFFAOYSA-N 0 0 409.486 4.061 20 5 HIBDRN CC(C)c1ccc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)cc1[N+](=O)[O-] ZINC000438962882 864431574 /nfs/dbraw/zinc/43/15/74/864431574.db2.gz MQSHXRWHONNZEO-UHFFFAOYSA-N 0 0 404.413 4.432 20 5 HIBDRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000438965397 864432617 /nfs/dbraw/zinc/43/26/17/864432617.db2.gz JBQPHDWWRCGSBP-CYBMUJFWSA-N 0 0 410.430 4.268 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000439018864 864469292 /nfs/dbraw/zinc/46/92/92/864469292.db2.gz FTZXLISYOIYFFD-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN Cc1c(CC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cccc1[N+](=O)[O-] ZINC000439064830 864517810 /nfs/dbraw/zinc/51/78/10/864517810.db2.gz NHVUGHADFAIMES-UHFFFAOYSA-N 0 0 403.410 4.410 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439087075 864533342 /nfs/dbraw/zinc/53/33/42/864533342.db2.gz RJYAHYOXTINPMM-CHWSQXEVSA-N 0 0 406.280 4.158 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 ZINC000439096845 864538242 /nfs/dbraw/zinc/53/82/42/864538242.db2.gz DKUUOZVMUVHYFF-UHFFFAOYSA-N 0 0 424.844 4.134 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccc(SC)cc1 ZINC000439104555 864541964 /nfs/dbraw/zinc/54/19/64/864541964.db2.gz AOPATBGHFLMCGJ-HNNXBMFYSA-N 0 0 422.890 4.313 20 5 HIBDRN COc1cccc(Cn2nccc2NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1OC ZINC000439105810 864543145 /nfs/dbraw/zinc/54/31/45/864543145.db2.gz GCXBZLOVBVSMPX-UHFFFAOYSA-N 0 0 424.457 4.233 20 5 HIBDRN COCCOc1ccc([C@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000439107256 864544268 /nfs/dbraw/zinc/54/42/68/864544268.db2.gz KFOMKYFUCJNJBL-ZDUSSCGKSA-N 0 0 422.865 4.081 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000439111652 864548344 /nfs/dbraw/zinc/54/83/44/864548344.db2.gz XGHVKWHGIBXIMB-UHFFFAOYSA-N 0 0 423.941 4.100 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cccc1[N+](=O)[O-] ZINC000439124648 864559752 /nfs/dbraw/zinc/55/97/52/864559752.db2.gz QXQAHZDNZBMUDK-UHFFFAOYSA-N 0 0 407.401 4.476 20 5 HIBDRN Cc1c(CC(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)cccc1[N+](=O)[O-] ZINC000439125963 864561082 /nfs/dbraw/zinc/56/10/82/864561082.db2.gz YFDODHSDMNPUPH-UHFFFAOYSA-N 0 0 403.410 4.410 20 5 HIBDRN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000439157271 864589572 /nfs/dbraw/zinc/58/95/72/864589572.db2.gz XJTMYEBXXBMEBS-FQEVSTJZSA-N 0 0 406.442 4.349 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000439227930 864645223 /nfs/dbraw/zinc/64/52/23/864645223.db2.gz DTQAEFHDSSPDHB-UHFFFAOYSA-N 0 0 400.431 4.271 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)N2CCC3(CCCC3)CC2)cc1[N+](=O)[O-] ZINC000439232256 864649175 /nfs/dbraw/zinc/64/91/75/864649175.db2.gz COMFKROKMCVBOS-UHFFFAOYSA-N 0 0 417.325 4.011 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000439236584 864653897 /nfs/dbraw/zinc/65/38/97/864653897.db2.gz SGHDSYQCJGNDSG-UHFFFAOYSA-N 0 0 404.394 4.269 20 5 HIBDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000439241626 864658784 /nfs/dbraw/zinc/65/87/84/864658784.db2.gz ZIYBAFPGOPKZFC-FQEVSTJZSA-N 0 0 423.416 4.391 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)N2CCC[C@@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC000439249406 864666650 /nfs/dbraw/zinc/66/66/50/864666650.db2.gz SSOGQYDFZHTBLR-OAHLLOKOSA-N 0 0 417.325 4.009 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000467925025 881799262 /nfs/dbraw/zinc/79/92/62/881799262.db2.gz UEIWMUSVDIMQQK-LEWJYISDSA-N 0 0 405.410 4.167 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000439401122 864819724 /nfs/dbraw/zinc/81/97/24/864819724.db2.gz HKDQDMJEFWMDLQ-WMLDXEAASA-N 0 0 411.458 4.490 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000439424338 864827299 /nfs/dbraw/zinc/82/72/99/864827299.db2.gz RLYGFIFWPWFICV-QGZVFWFLSA-N 0 0 423.391 4.374 20 5 HIBDRN O=C(Nc1ccc(CCCc2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439551943 864878466 /nfs/dbraw/zinc/87/84/66/864878466.db2.gz QXDJWHVXOPMZOV-UHFFFAOYSA-N 0 0 403.438 4.347 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC(OCC2CC2)CC1 ZINC000439682799 865017116 /nfs/dbraw/zinc/01/71/16/865017116.db2.gz GBKAMMSCHSQXAY-UHFFFAOYSA-N 0 0 406.280 4.301 20 5 HIBDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000439685901 865021018 /nfs/dbraw/zinc/02/10/18/865021018.db2.gz QKZPMZLVHGOFNP-UHFFFAOYSA-N 0 0 424.501 4.187 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000467973013 881828728 /nfs/dbraw/zinc/82/87/28/881828728.db2.gz JJIIMNOZXMGDEL-SSEXGKCCSA-N 0 0 423.494 4.267 20 5 HIBDRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000467973694 881829652 /nfs/dbraw/zinc/82/96/52/881829652.db2.gz OIRNKKXRLIDTHA-MUUNZHRXSA-N 0 0 403.504 4.006 20 5 HIBDRN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000467974924 881829733 /nfs/dbraw/zinc/82/97/33/881829733.db2.gz XQHXCBMAAUSTGV-OAHLLOKOSA-N 0 0 415.515 4.091 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000439731741 865065033 /nfs/dbraw/zinc/06/50/33/865065033.db2.gz KRYXBMAIWDBUGI-LBPRGKRZSA-N 0 0 413.455 4.024 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000467979967 881832390 /nfs/dbraw/zinc/83/23/90/881832390.db2.gz AXEYUDSTWBDCET-UHFFFAOYSA-N 0 0 419.363 4.164 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(CC)cc1)C(C)C ZINC000439745584 865077403 /nfs/dbraw/zinc/07/74/03/865077403.db2.gz LUGJEHHUOKWUHG-FQEVSTJZSA-N 0 0 413.474 4.008 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](c1ccccc1)C(CC)CC ZINC000439757546 865085559 /nfs/dbraw/zinc/08/55/59/865085559.db2.gz OIMQUJXQHRNTOT-HXUWFJFHSA-N 0 0 413.474 4.226 20 5 HIBDRN CC[C@@H](NC(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000468002443 881844138 /nfs/dbraw/zinc/84/41/38/881844138.db2.gz FRPUBLFYUJYMEJ-WOJBJXKFSA-N 0 0 413.474 4.021 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000439874655 865185651 /nfs/dbraw/zinc/18/56/51/865185651.db2.gz CFTKFWOUQPURDO-LJQANCHMSA-N 0 0 413.474 4.249 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000439877243 865187638 /nfs/dbraw/zinc/18/76/38/865187638.db2.gz IROZEQPSCULXIA-QGZVFWFLSA-N 0 0 407.854 4.498 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000439890399 865202861 /nfs/dbraw/zinc/20/28/61/865202861.db2.gz MWWQPBCPYOSBQN-GFCCVEGCSA-N 0 0 403.439 4.307 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000439932593 865233284 /nfs/dbraw/zinc/23/32/84/865233284.db2.gz OMYARFWOXNMODV-TZIWHRDSSA-N 0 0 421.457 4.240 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000439936212 865235371 /nfs/dbraw/zinc/23/53/71/865235371.db2.gz WQWSHSIQCDVWHM-BEFAXECRSA-N 0 0 403.410 4.174 20 5 HIBDRN COCCc1nc2cc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2o1 ZINC000439984923 865292237 /nfs/dbraw/zinc/29/22/37/865292237.db2.gz DHGSFJUDECQYGO-UHFFFAOYSA-N 0 0 424.438 4.301 20 5 HIBDRN COCCc1nc2cc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)ccc2o1 ZINC000439989159 865297489 /nfs/dbraw/zinc/29/74/89/865297489.db2.gz QAQIOIHYWVXSIF-UHFFFAOYSA-N 0 0 424.438 4.301 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1cccc(C)c1)C(C)(C)C ZINC000440044978 865324340 /nfs/dbraw/zinc/32/43/40/865324340.db2.gz UXCXWOULZDMKOY-LJQANCHMSA-N 0 0 413.474 4.144 20 5 HIBDRN CC[C@]1(CO)CCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000440070098 865336262 /nfs/dbraw/zinc/33/62/62/865336262.db2.gz LYYJUVSNRFDHBK-HXUWFJFHSA-N 0 0 404.850 4.418 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000440100551 865358511 /nfs/dbraw/zinc/35/85/11/865358511.db2.gz LJNYALGDLQQNNQ-JOCQHMNTSA-N 0 0 422.268 4.211 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)cc1[N+](=O)[O-] ZINC000468044802 881872267 /nfs/dbraw/zinc/87/22/67/881872267.db2.gz MKWJYSHWKDFIDC-SFHVURJKSA-N 0 0 407.417 4.468 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)cc12 ZINC000440408741 865702079 /nfs/dbraw/zinc/70/20/79/865702079.db2.gz RUAPYSICYKIMPS-UHFFFAOYSA-N 0 0 411.418 4.398 20 5 HIBDRN Cc1cc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)c3c(C)noc3n2)c(C)o1 ZINC000440415649 865711829 /nfs/dbraw/zinc/71/18/29/865711829.db2.gz ZDIHAOAXNNWFRA-UHFFFAOYSA-N 0 0 407.386 4.272 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000440452571 865755272 /nfs/dbraw/zinc/75/52/72/865755272.db2.gz NYWLAVIONFIFFT-ZDUSSCGKSA-N 0 0 423.391 4.214 20 5 HIBDRN Cc1nc(CNC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)sc1C ZINC000440539887 865811105 /nfs/dbraw/zinc/81/11/05/865811105.db2.gz OTTWPDYWYUGVMC-ZDUSSCGKSA-N 0 0 411.487 4.166 20 5 HIBDRN CCc1nnc(-c2cccc(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])c2)o1 ZINC000440594809 865829197 /nfs/dbraw/zinc/82/91/97/865829197.db2.gz GUYYUCPVUMOEQF-UHFFFAOYSA-N 0 0 416.821 4.268 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC3(C2)CCOCC3)cc1 ZINC000440595739 865830082 /nfs/dbraw/zinc/83/00/82/865830082.db2.gz IMSXPEJXCCUCRU-UHFFFAOYSA-N 0 0 412.442 4.038 20 5 HIBDRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1 ZINC000440598566 865830639 /nfs/dbraw/zinc/83/06/39/865830639.db2.gz NIRGHDLJHDTQHY-QUCCMNQESA-N 0 0 423.513 4.413 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000440601149 865832367 /nfs/dbraw/zinc/83/23/67/865832367.db2.gz JVTKFOAJIQZYLD-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1csc(Cc2ccccc2F)n1 ZINC000440607813 865835733 /nfs/dbraw/zinc/83/57/33/865835733.db2.gz DDPPKENGHYRLFU-UHFFFAOYSA-N 0 0 408.414 4.582 20 5 HIBDRN CC(=O)N[C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1cccs1 ZINC000440611128 865837477 /nfs/dbraw/zinc/83/74/77/865837477.db2.gz KIKWCCGMYDCDKB-FQEVSTJZSA-N 0 0 423.494 4.457 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000440620181 865843076 /nfs/dbraw/zinc/84/30/76/865843076.db2.gz YFYVOLVMJZODCR-KGLIPLIRSA-N 0 0 414.849 4.079 20 5 HIBDRN C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)C[C@H](C)O1 ZINC000440623284 865843965 /nfs/dbraw/zinc/84/39/65/865843965.db2.gz GOXYFZZMIIKRPB-IYBDPMFKSA-N 0 0 420.469 4.005 20 5 HIBDRN CN(C)c1cc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2n1 ZINC000440623989 865845006 /nfs/dbraw/zinc/84/50/06/865845006.db2.gz HXQCONIPFZBCOP-UHFFFAOYSA-N 0 0 418.375 4.158 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCO[C@@H](c3ccco3)C2)cc1 ZINC000440627843 865846451 /nfs/dbraw/zinc/84/64/51/865846451.db2.gz VMXRKUMCGSZTMB-OAQYLSRUSA-N 0 0 424.409 4.202 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2c(C)c(C)sc2Br)cc([N+](=O)[O-])c1 ZINC000440633632 865850486 /nfs/dbraw/zinc/85/04/86/865850486.db2.gz HFGNOGOHHZZLLG-UHFFFAOYSA-N 0 0 413.249 4.075 20 5 HIBDRN Cc1c2cc(Cl)ccc2sc1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000440646659 865855515 /nfs/dbraw/zinc/85/55/15/865855515.db2.gz KWHFGJLBMMUNSH-UHFFFAOYSA-N 0 0 411.892 4.031 20 5 HIBDRN COCc1nc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c(-c2ccccc2)s1 ZINC000440677840 865863009 /nfs/dbraw/zinc/86/30/09/865863009.db2.gz YCXXTXLBXFJDLV-UHFFFAOYSA-N 0 0 424.482 4.362 20 5 HIBDRN Cc1ccc(C(N)=O)cc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440718709 865874169 /nfs/dbraw/zinc/87/41/69/865874169.db2.gz SJGWMIDKMVQLCM-UHFFFAOYSA-N 0 0 407.451 4.406 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000440829944 865945223 /nfs/dbraw/zinc/94/52/23/865945223.db2.gz XAIZFBIUTRDHRB-SNVBAGLBSA-N 0 0 414.336 4.002 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000440857087 865959183 /nfs/dbraw/zinc/95/91/83/865959183.db2.gz IBGCRZJCMHZKGJ-SNVBAGLBSA-N 0 0 411.241 4.360 20 5 HIBDRN COc1ccc(COc2ccc(C(C)=O)cc2[N+](=O)[O-])c(Br)c1OC ZINC000440877975 865973324 /nfs/dbraw/zinc/97/33/24/865973324.db2.gz GESDCHKBIYTXKJ-UHFFFAOYSA-N 0 0 410.220 4.156 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)cc1Br ZINC000440878928 865975720 /nfs/dbraw/zinc/97/57/20/865975720.db2.gz NVSIDTVLRIZINA-UHFFFAOYSA-N 0 0 413.218 4.388 20 5 HIBDRN Cc1c(NC(=O)C2(Oc3ccccc3F)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000440898463 865993637 /nfs/dbraw/zinc/99/36/37/865993637.db2.gz YHQOBHMYAKDORS-UHFFFAOYSA-N 0 0 409.211 4.355 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2ccncc2)C1 ZINC000440903139 865998968 /nfs/dbraw/zinc/99/89/68/865998968.db2.gz LDMGNZOBAAUKNB-QGZVFWFLSA-N 0 0 421.478 4.435 20 5 HIBDRN O=C(Nc1cccc(NCC(F)(F)F)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000468121526 881956811 /nfs/dbraw/zinc/95/68/11/881956811.db2.gz QMXNYRGQXXGAPW-UHFFFAOYSA-N 0 0 406.320 4.075 20 5 HIBDRN Cc1cc(C(=O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1CC(F)(F)F ZINC000441243135 866316396 /nfs/dbraw/zinc/31/63/96/866316396.db2.gz HCNJCDHFUBIXCA-UHFFFAOYSA-N 0 0 409.408 4.423 20 5 HIBDRN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000441251024 866323064 /nfs/dbraw/zinc/32/30/64/866323064.db2.gz GFBAVMAJCQBMGE-APWZRJJASA-N 0 0 415.877 4.290 20 5 HIBDRN O=C(Cc1nc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cs1)Nc1ccccc1 ZINC000441264621 866340302 /nfs/dbraw/zinc/34/03/02/866340302.db2.gz RBVAVTQFMMDWJN-UHFFFAOYSA-N 0 0 422.510 4.397 20 5 HIBDRN COCc1nc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)c(-c2ccccc2)s1 ZINC000441273251 866347393 /nfs/dbraw/zinc/34/73/93/866347393.db2.gz BTDWIUQTPHCFSF-UHFFFAOYSA-N 0 0 412.471 4.495 20 5 HIBDRN CCCOc1cc(NC(=O)[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1OCCC ZINC000441321637 866392481 /nfs/dbraw/zinc/39/24/81/866392481.db2.gz HPTHZPPOVMEVCI-OAQYLSRUSA-N 0 0 414.458 4.425 20 5 HIBDRN CCCOc1cc(NC(=O)N2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])cc1OCCC ZINC000441327802 866399445 /nfs/dbraw/zinc/39/94/45/866399445.db2.gz HCCYZYUFLIAHCE-GJZGRUSLSA-N 0 0 409.483 4.204 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000441414959 866489842 /nfs/dbraw/zinc/48/98/42/866489842.db2.gz VCBHTEXUCNQNJW-UONOGXRCSA-N 0 0 403.866 4.146 20 5 HIBDRN CCCN(C(=O)C1(c2cncc(Br)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000441435992 866513769 /nfs/dbraw/zinc/51/37/69/866513769.db2.gz FUKNQQJNMHUQFC-UHFFFAOYSA-N 0 0 404.264 4.227 20 5 HIBDRN CCCN(C(=O)C[C@@H](NC(C)=O)c1ccccc1OCC)c1cccc([N+](=O)[O-])c1 ZINC000441437151 866515586 /nfs/dbraw/zinc/51/55/86/866515586.db2.gz JABHNPXPXVDCQW-HXUWFJFHSA-N 0 0 413.474 4.004 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2c(Br)cccc21 ZINC000441523204 866599647 /nfs/dbraw/zinc/59/96/47/866599647.db2.gz LSSWOLHJYXBXOU-NSHDSACASA-N 0 0 423.288 4.264 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000441528025 866603751 /nfs/dbraw/zinc/60/37/51/866603751.db2.gz WOFQXWHFZUVKNX-UHFFFAOYSA-N 0 0 411.380 4.015 20 5 HIBDRN COc1ccc(NC(C)=O)cc1N(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000441616724 866715701 /nfs/dbraw/zinc/71/57/01/866715701.db2.gz YKEIPDMNDGQMLJ-ZDUSSCGKSA-N 0 0 417.437 4.246 20 5 HIBDRN O=C(NCc1cccc(COCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000441726274 866822297 /nfs/dbraw/zinc/82/22/97/866822297.db2.gz HIFWUMBBRXAPNV-UHFFFAOYSA-N 0 0 402.756 4.257 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCO[C@H](c2ccco2)C1 ZINC000441796008 866865353 /nfs/dbraw/zinc/86/53/53/866865353.db2.gz CEKWVIBZDYERDN-INIZCTEOSA-N 0 0 404.220 4.076 20 5 HIBDRN COc1cc2[nH]c(CCCNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)cc2c(OC)c1 ZINC000441809253 866872857 /nfs/dbraw/zinc/87/28/57/866872857.db2.gz QEUCKUVCXYRVJC-UHFFFAOYSA-N 0 0 424.457 4.023 20 5 HIBDRN CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000441839261 866898243 /nfs/dbraw/zinc/89/82/43/866898243.db2.gz NAFJFIAFVUIISZ-IBGZPJMESA-N 0 0 415.465 4.097 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000441871749 866937640 /nfs/dbraw/zinc/93/76/40/866937640.db2.gz MJDBRDJHTCJXKA-INIZCTEOSA-N 0 0 410.474 4.168 20 5 HIBDRN CCc1cc(N(C)Cc2cn(C)nc2C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000441920969 866986919 /nfs/dbraw/zinc/98/69/19/866986919.db2.gz JXAWHLOGQHXTEN-UHFFFAOYSA-N 0 0 420.395 4.003 20 5 HIBDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(C)c1 ZINC000442003599 867059236 /nfs/dbraw/zinc/05/92/36/867059236.db2.gz QMIQNHPDFULSJZ-IBGZPJMESA-N 0 0 403.442 4.061 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC[C@@H](n2cccn2)C1 ZINC000442017625 867068639 /nfs/dbraw/zinc/06/86/39/867068639.db2.gz KAXKVRWKTCVXKW-MRXNPFEDSA-N 0 0 408.483 4.420 20 5 HIBDRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000442128401 867151228 /nfs/dbraw/zinc/15/12/28/867151228.db2.gz PADQFSACCDFZNS-ZBEGNZNMSA-N 0 0 405.838 4.088 20 5 HIBDRN CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1 ZINC000442128700 867152887 /nfs/dbraw/zinc/15/28/87/867152887.db2.gz HRKZEMKYABQUNK-SGTLLEGYSA-N 0 0 403.866 4.399 20 5 HIBDRN COCCc1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000468201732 882081914 /nfs/dbraw/zinc/08/19/14/882081914.db2.gz ZMPZQBOGGALMRK-UHFFFAOYSA-N 0 0 411.380 4.243 20 5 HIBDRN CCN(c1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000442601065 867553889 /nfs/dbraw/zinc/55/38/89/867553889.db2.gz IHDMQZJQOFPMJI-UHFFFAOYSA-N 0 0 408.785 4.482 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1-c1nc(C2(c3cccc(Br)c3)CC2)no1 ZINC000442606106 867555563 /nfs/dbraw/zinc/55/55/63/867555563.db2.gz NHGYMPNIRKLJJB-UHFFFAOYSA-N 0 0 401.220 4.191 20 5 HIBDRN C[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000442650009 867590581 /nfs/dbraw/zinc/59/05/81/867590581.db2.gz OLKJFDWZTXGOGI-UZLBHIALSA-N 0 0 422.506 4.468 20 5 HIBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]cn2)CC1 ZINC000442691008 867624360 /nfs/dbraw/zinc/62/43/60/867624360.db2.gz LDZAXIYQAOTMHH-UHFFFAOYSA-N 0 0 408.483 4.489 20 5 HIBDRN COC(=O)[C@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])CC(C)C ZINC000442721151 867647162 /nfs/dbraw/zinc/64/71/62/867647162.db2.gz UURVAJYGDMXZOK-HNNXBMFYSA-N 0 0 416.499 4.311 20 5 HIBDRN CC(C)(Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000442792866 867677187 /nfs/dbraw/zinc/67/71/87/867677187.db2.gz RFCKLHGBERKFSM-UHFFFAOYSA-N 0 0 416.421 4.054 20 5 HIBDRN Cc1ccc(CN(CCO)C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])o1 ZINC000442833063 867692009 /nfs/dbraw/zinc/69/20/09/867692009.db2.gz ZXRZWTGDPMSREU-UHFFFAOYSA-N 0 0 412.467 4.282 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000442925615 867744053 /nfs/dbraw/zinc/74/40/53/867744053.db2.gz SKUMITJEYVRIPW-RTBURBONSA-N 0 0 402.472 4.008 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000443132257 867833462 /nfs/dbraw/zinc/83/34/62/867833462.db2.gz KTCKNXYQNCVKQP-INIZCTEOSA-N 0 0 413.865 4.465 20 5 HIBDRN Cc1sc(Br)c(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1C ZINC000443271938 867887162 /nfs/dbraw/zinc/88/71/62/867887162.db2.gz JTYDQAOMKQYYIB-UHFFFAOYSA-N 0 0 421.276 4.678 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000468237246 882132998 /nfs/dbraw/zinc/13/29/98/882132998.db2.gz FKUBSAJVDOUECN-SFHVURJKSA-N 0 0 409.486 4.398 20 5 HIBDRN Cc1cc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(C)c1Cl ZINC000443351571 867920100 /nfs/dbraw/zinc/92/01/00/867920100.db2.gz MYOMVFBKMGJPLG-UHFFFAOYSA-N 0 0 403.866 4.241 20 5 HIBDRN O=C(CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCc1c[nH]cn1 ZINC000443371951 867933731 /nfs/dbraw/zinc/93/37/31/867933731.db2.gz IWLMYJUYTFCNTC-DHDCSXOGSA-N 0 0 419.466 4.175 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[C@@H]1CO ZINC000443387924 867946968 /nfs/dbraw/zinc/94/69/68/867946968.db2.gz SDNOHWHJVRKBKJ-MLGOLLRUSA-N 0 0 406.891 4.242 20 5 HIBDRN NC(=O)c1ccc(COc2c(Cl)ccc(Cl)c2Br)c([N+](=O)[O-])c1 ZINC000443398731 867957000 /nfs/dbraw/zinc/95/70/00/867957000.db2.gz KJFMVYYDMMWSST-UHFFFAOYSA-N 0 0 420.046 4.342 20 5 HIBDRN CCn1c(SCc2nc(C3CCCC3)no2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000443417216 868001673 /nfs/dbraw/zinc/00/16/73/868001673.db2.gz PGYDKBWTMBZRAT-UHFFFAOYSA-N 0 0 400.464 4.206 20 5 HIBDRN O=C(NCc1c[nH]cn1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000443546042 868101976 /nfs/dbraw/zinc/10/19/76/868101976.db2.gz YUMAVMQREHJCAL-UHFFFAOYSA-N 0 0 411.468 4.009 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(O)c1 ZINC000443581182 868137156 /nfs/dbraw/zinc/13/71/56/868137156.db2.gz WYTXLOKHIFLILR-CYBMUJFWSA-N 0 0 408.414 4.129 20 5 HIBDRN O=[N+]([O-])c1ccc2oc(CN3CCN(c4ccc(C(F)(F)F)cc4)CC3)nc2c1 ZINC000443645448 868236165 /nfs/dbraw/zinc/23/61/65/868236165.db2.gz UZGSJDSQKRAHQC-UHFFFAOYSA-N 0 0 406.364 4.077 20 5 HIBDRN Cc1nn(CCC(=O)NCc2ccc(C)cc2O[C@@H](C)CC(C)C)c(C)c1[N+](=O)[O-] ZINC000468260289 882173423 /nfs/dbraw/zinc/17/34/23/882173423.db2.gz KMNBGCJWPMNHQX-INIZCTEOSA-N 0 0 416.522 4.236 20 5 HIBDRN C[C@H](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000443742693 868318788 /nfs/dbraw/zinc/31/87/88/868318788.db2.gz HNOKBEKIAAJUJL-CYBMUJFWSA-N 0 0 416.421 4.227 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000443794094 868334023 /nfs/dbraw/zinc/33/40/23/868334023.db2.gz ZIUYKIIPBVAYSL-NRFANRHFSA-N 0 0 410.495 4.041 20 5 HIBDRN Cc1ccc(-c2cccc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)c2)cc1 ZINC000468262697 882177936 /nfs/dbraw/zinc/17/79/36/882177936.db2.gz RYWDWDRYNXSAKM-UHFFFAOYSA-N 0 0 404.422 4.271 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cncc(C)c1 ZINC000443815181 868349030 /nfs/dbraw/zinc/34/90/30/868349030.db2.gz ZDACTGWCWXDQHJ-UHFFFAOYSA-N 0 0 411.439 4.456 20 5 HIBDRN CN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1[N+](=O)[O-] ZINC000443820050 868352580 /nfs/dbraw/zinc/35/25/80/868352580.db2.gz BSZBPJLQQXPZOT-UHFFFAOYSA-N 0 0 404.398 4.071 20 5 HIBDRN COc1ccc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000443860102 868393337 /nfs/dbraw/zinc/39/33/37/868393337.db2.gz OUPPWOFWVWKISL-CQSZACIVSA-N 0 0 406.719 4.429 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)[C@@H](C)OC)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000468267446 882185508 /nfs/dbraw/zinc/18/55/08/882185508.db2.gz CRPSOECZVHENDH-NWDGAFQWSA-N 0 0 408.838 4.202 20 5 HIBDRN CCOc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)cc1[N+](=O)[O-] ZINC000443883224 868418603 /nfs/dbraw/zinc/41/86/03/868418603.db2.gz KZKFLRHCHHCMMU-UHFFFAOYSA-N 0 0 401.163 4.287 20 5 HIBDRN CN(CC(=O)N(Cc1ccco1)c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000443885431 868422068 /nfs/dbraw/zinc/42/20/68/868422068.db2.gz ZAMMSGLWHLJFHO-UHFFFAOYSA-N 0 0 401.369 4.136 20 5 HIBDRN CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443889041 868425469 /nfs/dbraw/zinc/42/54/69/868425469.db2.gz NNIAYBWVOVQIAI-UHFFFAOYSA-N 0 0 418.274 4.321 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC000443901195 868437910 /nfs/dbraw/zinc/43/79/10/868437910.db2.gz PGJFACVENIKIJO-UHFFFAOYSA-N 0 0 417.181 4.495 20 5 HIBDRN O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000443906437 868442088 /nfs/dbraw/zinc/44/20/88/868442088.db2.gz ZWKGOQFWXLIVRD-UHFFFAOYSA-N 0 0 407.213 4.105 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000443967250 868499108 /nfs/dbraw/zinc/49/91/08/868499108.db2.gz PYDWIRLOKJRQKJ-UHFFFAOYSA-N 0 0 416.522 4.248 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](c3ccccc3)c3ccccc32)s1 ZINC000443967943 868499190 /nfs/dbraw/zinc/49/91/90/868499190.db2.gz WATMZIVHTFVRCA-HNNXBMFYSA-N 0 0 400.481 4.343 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000443970380 868500210 /nfs/dbraw/zinc/50/02/10/868500210.db2.gz IGVBQSBLGPSWBC-MRVPVSSYSA-N 0 0 409.290 4.135 20 5 HIBDRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])o1 ZINC000443981216 868507592 /nfs/dbraw/zinc/50/75/92/868507592.db2.gz ANXKEJZMLRDRPO-CXAGYDPISA-N 0 0 402.447 4.381 20 5 HIBDRN O=C(Nc1cc(F)cc(F)c1Br)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000468275035 882196908 /nfs/dbraw/zinc/19/69/08/882196908.db2.gz UNVZTLMQFRDNGK-UHFFFAOYSA-N 0 0 423.116 4.489 20 5 HIBDRN COc1cc(NC2CCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)cc(OC)c1 ZINC000444040714 868577816 /nfs/dbraw/zinc/57/78/16/868577816.db2.gz ZIYHTQQGVMFONZ-UHFFFAOYSA-N 0 0 414.462 4.029 20 5 HIBDRN C[C@H](CCc1cccn1C)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444078154 868605390 /nfs/dbraw/zinc/60/53/90/868605390.db2.gz CVOWLYRLGXPOGQ-CYBMUJFWSA-N 0 0 409.436 4.049 20 5 HIBDRN CCO[C@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C12CCC2 ZINC000444084445 868608490 /nfs/dbraw/zinc/60/84/90/868608490.db2.gz RSQNBVXSEYGVNC-MOPGFXCFSA-N 0 0 412.436 4.037 20 5 HIBDRN Cc1cccc(O[C@@H](C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444087832 868610017 /nfs/dbraw/zinc/61/00/17/868610017.db2.gz MAOQFWGQJXSLBO-HNNXBMFYSA-N 0 0 404.441 4.326 20 5 HIBDRN COc1ccccc1[C@@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444089501 868611180 /nfs/dbraw/zinc/61/11/80/868611180.db2.gz VPITVPTZKFHQOZ-OAHLLOKOSA-N 0 0 416.452 4.459 20 5 HIBDRN C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Oc1cccc(F)c1 ZINC000444092839 868612552 /nfs/dbraw/zinc/61/25/52/868612552.db2.gz GKJHMPBHSRVFFN-ZDUSSCGKSA-N 0 0 408.404 4.157 20 5 HIBDRN COc1ccc(O[C@@H](C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 ZINC000444097996 868615719 /nfs/dbraw/zinc/61/57/19/868615719.db2.gz WXJHMQOKEXEARU-AWEZNQCLSA-N 0 0 420.440 4.026 20 5 HIBDRN 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868676127 /nfs/dbraw/zinc/67/61/27/868676127.db2.gz KDURIQXTELOSRT-RDJZCZTQSA-N 0 0 418.468 4.105 20 5 HIBDRN C[C@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@H](c2ccsc2)O1 ZINC000444225957 868676321 /nfs/dbraw/zinc/67/63/21/868676321.db2.gz NVELGDTZVJRTGM-ORAYPTAESA-N 0 0 422.481 4.484 20 5 HIBDRN Cc1nc(CCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)sc1C ZINC000444230919 868678706 /nfs/dbraw/zinc/67/87/06/868678706.db2.gz BXKDNJHZWWAGQD-UHFFFAOYSA-N 0 0 413.449 4.005 20 5 HIBDRN CN(Cc1cc(Cl)cn1C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444231928 868680365 /nfs/dbraw/zinc/68/03/65/868680365.db2.gz LBEORLSIGLFOID-UHFFFAOYSA-N 0 0 415.827 4.224 20 5 HIBDRN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444235508 868684916 /nfs/dbraw/zinc/68/49/16/868684916.db2.gz GKTXAHLXXQDITC-ZLUZWTFRSA-N 0 0 424.447 4.037 20 5 HIBDRN CN(C)c1cccc(CN(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444238172 868687315 /nfs/dbraw/zinc/68/73/15/868687315.db2.gz 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SBWTWVJSNMJGMD-UONOGXRCSA-N 0 0 409.914 4.089 20 5 HIBDRN CN(CC1(O)CCCCCC1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444332100 868758664 /nfs/dbraw/zinc/75/86/64/868758664.db2.gz YKFJMZVNPDDGQR-UHFFFAOYSA-N 0 0 414.452 4.117 20 5 HIBDRN CCc1n[nH]c(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2c2cccc(OC)c2)c1[N+](=O)[O-] ZINC000444367506 868792633 /nfs/dbraw/zinc/79/26/33/868792633.db2.gz INRCMACOTQFHFF-GHTZIAJQSA-N 0 0 420.469 4.260 20 5 HIBDRN O=C(Nc1ccc(C(=O)NC2CCCCC2)c(O)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000444393340 868806593 /nfs/dbraw/zinc/80/65/93/868806593.db2.gz QLEODAQUEKUSPG-UHFFFAOYSA-N 0 0 417.849 4.269 20 5 HIBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000444400606 868811566 /nfs/dbraw/zinc/81/15/66/868811566.db2.gz OHSUTLMKQXPNCP-DYVFJYSZSA-N 0 0 406.891 4.329 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Nc2ncccn2)cc1 ZINC000444413699 868817639 /nfs/dbraw/zinc/81/76/39/868817639.db2.gz DEGZDSGNRSMNMO-UHFFFAOYSA-N 0 0 413.821 4.189 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000444477883 868846442 /nfs/dbraw/zinc/84/64/42/868846442.db2.gz INDXABOFKBACAM-SJCJKPOMSA-N 0 0 420.453 4.309 20 5 HIBDRN CC(C)Oc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(Cl)c1 ZINC000444514315 868865858 /nfs/dbraw/zinc/86/58/58/868865858.db2.gz JUXOPIZOEQGLEV-UHFFFAOYSA-N 0 0 400.822 4.473 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000444527565 868869303 /nfs/dbraw/zinc/86/93/03/868869303.db2.gz WEADFHSLKXMXIX-CQSZACIVSA-N 0 0 419.503 4.147 20 5 HIBDRN COC(=O)COc1ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000468316017 882241773 /nfs/dbraw/zinc/24/17/73/882241773.db2.gz LODOUJLCEPMMKS-CQSZACIVSA-N 0 0 423.425 4.183 20 5 HIBDRN O=C(Nc1ccc(Nc2ncccn2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000444614877 868908723 /nfs/dbraw/zinc/90/87/23/868908723.db2.gz FBIGWSNPXPVELI-UHFFFAOYSA-N 0 0 414.219 4.143 20 5 HIBDRN COc1ccc2[nH]cc(C3=CCN(Cc4nc5cc([N+](=O)[O-])ccc5[nH]4)CC3)c2c1 ZINC000444654092 868933778 /nfs/dbraw/zinc/93/37/78/868933778.db2.gz XTEGOHNIGZNTJC-UHFFFAOYSA-N 0 0 403.442 4.250 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444672219 868949529 /nfs/dbraw/zinc/94/95/29/868949529.db2.gz HARCLVRJGOMSCV-IFXJQAMLSA-N 0 0 415.877 4.120 20 5 HIBDRN C[C@@H](N[C@H](C)c1nc2ccccc2n1C(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000444675183 868951769 /nfs/dbraw/zinc/95/17/69/868951769.db2.gz LTUHHZJVASTEAU-VXGBXAGGSA-N 0 0 403.389 4.017 20 5 HIBDRN Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000444675621 868953246 /nfs/dbraw/zinc/95/32/46/868953246.db2.gz MOPPGADPUNTFHN-QGZVFWFLSA-N 0 0 422.510 4.499 20 5 HIBDRN C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2n1C(F)F ZINC000444681253 868956813 /nfs/dbraw/zinc/95/68/13/868956813.db2.gz ZBSIVDCWPKCONC-NSHDSACASA-N 0 0 414.372 4.240 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000444699763 868963797 /nfs/dbraw/zinc/96/37/97/868963797.db2.gz DYYQYDYVENNZFO-UGSOOPFHSA-N 0 0 414.849 4.260 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1cc(Cl)ccc1F ZINC000444701924 868963995 /nfs/dbraw/zinc/96/39/95/868963995.db2.gz QEWVYSAWHWHSAL-SNVBAGLBSA-N 0 0 400.237 4.500 20 5 HIBDRN Cc1ccc(F)c(-c2cc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n[nH]2)c1 ZINC000444806033 869019531 /nfs/dbraw/zinc/01/95/31/869019531.db2.gz LNOROFPLRGMDDV-UHFFFAOYSA-N 0 0 408.311 4.704 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000444813097 869024525 /nfs/dbraw/zinc/02/45/25/869024525.db2.gz BARXZWUHGQDDQM-UHFFFAOYSA-N 0 0 413.743 4.465 20 5 HIBDRN CC(C)C(=O)Nc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000444828231 869035857 /nfs/dbraw/zinc/03/58/57/869035857.db2.gz RMVARPWLTBXTAF-UHFFFAOYSA-N 0 0 412.265 4.266 20 5 HIBDRN O=C(Nc1nc(-c2ccccn2)cs1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444839645 869045960 /nfs/dbraw/zinc/04/59/60/869045960.db2.gz ZJBANNYOITVCEU-UHFFFAOYSA-N 0 0 411.262 4.190 20 5 HIBDRN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444846865 869051390 /nfs/dbraw/zinc/05/13/90/869051390.db2.gz ICBFNPQFKYFFBL-LJQANCHMSA-N 0 0 411.505 4.076 20 5 HIBDRN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444847066 869051655 /nfs/dbraw/zinc/05/16/55/869051655.db2.gz KBBDZGZZWGRYHF-GFCCVEGCSA-N 0 0 422.285 4.246 20 5 HIBDRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444900590 869088406 /nfs/dbraw/zinc/08/84/06/869088406.db2.gz KERRHSUABNBEHN-UHFFFAOYSA-N 0 0 419.445 4.237 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000444901852 869089930 /nfs/dbraw/zinc/08/99/30/869089930.db2.gz LFEAIACXXIYHKO-QGZVFWFLSA-N 0 0 409.801 4.001 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OCC ZINC000444906389 869093395 /nfs/dbraw/zinc/09/33/95/869093395.db2.gz MRRNJQDSRWMPTH-ZDUSSCGKSA-N 0 0 403.435 4.284 20 5 HIBDRN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C(F)(F)F)cs1 ZINC000444925640 869109562 /nfs/dbraw/zinc/10/95/62/869109562.db2.gz VIVVQLKLUVJLFY-VIFPVBQESA-N 0 0 404.370 4.352 20 5 HIBDRN CC(C)[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1Cl ZINC000444966556 869132411 /nfs/dbraw/zinc/13/24/11/869132411.db2.gz OMJHINGEVHOHFV-SFHVURJKSA-N 0 0 401.854 4.321 20 5 HIBDRN CC(C)(CO)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccccc1 ZINC000444978039 869139520 /nfs/dbraw/zinc/13/95/20/869139520.db2.gz HLFIRTHPJOZLTP-OAQYLSRUSA-N 0 0 414.505 4.213 20 5 HIBDRN CC(C)(CO)[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccccc1 ZINC000444978036 869139845 /nfs/dbraw/zinc/13/98/45/869139845.db2.gz HLFIRTHPJOZLTP-NRFANRHFSA-N 0 0 414.505 4.213 20 5 HIBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCc1ccc(Oc2ccccc2)cc1 ZINC000445029807 869177420 /nfs/dbraw/zinc/17/74/20/869177420.db2.gz GQGQYJLBBQZUNK-UHFFFAOYSA-N 0 0 417.425 4.263 20 5 HIBDRN COc1ccc(C[C@@H](C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000445130079 869233069 /nfs/dbraw/zinc/23/30/69/869233069.db2.gz ASNRDCMUCSPLIV-MRXNPFEDSA-N 0 0 400.478 4.299 20 5 HIBDRN COc1ccccc1OC[C@H](C)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445132673 869234272 /nfs/dbraw/zinc/23/42/72/869234272.db2.gz GJFQBOAGPAKVSF-MRXNPFEDSA-N 0 0 416.477 4.135 20 5 HIBDRN C[C@@H]1C[C@@H]1[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1 ZINC000445143460 869240799 /nfs/dbraw/zinc/24/07/99/869240799.db2.gz RMIIEUHODJSNPW-VZMUKZCBSA-N 0 0 413.865 4.321 20 5 HIBDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445146605 869241983 /nfs/dbraw/zinc/24/19/83/869241983.db2.gz XZZVVPSVOSMMSV-OFNKIYASSA-N 0 0 420.415 4.220 20 5 HIBDRN O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445163166 869251969 /nfs/dbraw/zinc/25/19/69/869251969.db2.gz SIBYKSHCNKLWIQ-HTAPYJJXSA-N 0 0 416.452 4.471 20 5 HIBDRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445164653 869253196 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COc1cc(-c2nc(Cn3c4ccccc4nc3C(C)C)no2)cc([N+](=O)[O-])c1OC ZINC000445657314 869726756 /nfs/dbraw/zinc/72/67/56/869726756.db2.gz PZPSTJQVSOQJCW-UHFFFAOYSA-N 0 0 423.429 4.183 20 5 HIBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)c2ccccc2Cl)no1 ZINC000445681639 869752184 /nfs/dbraw/zinc/75/21/84/869752184.db2.gz LCZRAVUTLLDYQA-LBPRGKRZSA-N 0 0 414.849 4.448 20 5 HIBDRN CC[C@H](NC(=O)Cc1noc(CSc2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000445698181 869764310 /nfs/dbraw/zinc/76/43/10/869764310.db2.gz XSYOHIZEIZUKQS-KRWDZBQOSA-N 0 0 412.471 4.080 20 5 HIBDRN CC/C(=C\c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1)c1ccc(C)cc1 ZINC000445732614 869788462 /nfs/dbraw/zinc/78/84/62/869788462.db2.gz LLCSCDOUJOMNEC-SFQUDFHCSA-N 0 0 406.442 4.096 20 5 HIBDRN CC(C)Cc1ccc(/C=C/c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000445733556 869789915 /nfs/dbraw/zinc/78/99/15/869789915.db2.gz NSUKEXCCJDVEIM-FMIVXFBMSA-N 0 0 420.469 4.206 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)ccc1Nc1ccccc1 ZINC000445814678 869837343 /nfs/dbraw/zinc/83/73/43/869837343.db2.gz AWOXTYJXEMYHAX-YLJYHZDGSA-N 0 0 421.457 4.314 20 5 HIBDRN COc1cc(Cc2noc(-c3sc(C)nc3CC(C)C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445818561 869840585 /nfs/dbraw/zinc/84/05/85/869840585.db2.gz KRQJWLYIGDOYIX-UHFFFAOYSA-N 0 0 418.475 4.216 20 5 HIBDRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000445912860 869883600 /nfs/dbraw/zinc/88/36/00/869883600.db2.gz NHSSPEKIAMLCTP-QGZVFWFLSA-N 0 0 409.486 4.489 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000445917392 869886910 /nfs/dbraw/zinc/88/69/10/869886910.db2.gz NASXDSOBOYQACS-UHFFFAOYSA-N 0 0 403.438 4.096 20 5 HIBDRN CCS[C@H]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000445927210 869892336 /nfs/dbraw/zinc/89/23/36/869892336.db2.gz JGEZFDCTTDTIGD-OCCSQVGLSA-N 0 0 401.326 4.080 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000445943747 869902386 /nfs/dbraw/zinc/90/23/86/869902386.db2.gz KJDMVYIKPNZLRA-AAEUAGOBSA-N 0 0 423.229 4.385 20 5 HIBDRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446004539 869968197 /nfs/dbraw/zinc/96/81/97/869968197.db2.gz NTHMCXXQWUWPBD-UHFFFAOYSA-N 0 0 410.449 4.148 20 5 HIBDRN O=[N+]([O-])c1cccc(/C=C\c2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)c1 ZINC000446004777 869969461 /nfs/dbraw/zinc/96/94/61/869969461.db2.gz ONXZWAFYQREJRD-DAXSKMNVSA-N 0 0 406.320 4.075 20 5 HIBDRN CCOC(=O)c1cc(-c2nc([C@H]3CSc4ccccc4O3)no2)cc([N+](=O)[O-])c1 ZINC000446007627 869972990 /nfs/dbraw/zinc/97/29/90/869972990.db2.gz RBFPFIWEJUTPPL-OAHLLOKOSA-N 0 0 413.411 4.047 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc([C@@H]2CSc3ccccc3O2)no1 ZINC000446016782 869983985 /nfs/dbraw/zinc/98/39/85/869983985.db2.gz UZKFXCZXWRISQR-HNNXBMFYSA-N 0 0 419.846 4.479 20 5 HIBDRN O=[N+]([O-])c1ccc(/C=C/c2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)cc1 ZINC000446016961 869984477 /nfs/dbraw/zinc/98/44/77/869984477.db2.gz WRTNVWITPDSINA-FPYGCLRLSA-N 0 0 406.320 4.075 20 5 HIBDRN CN(C)c1c(Cl)cccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000446021270 869987480 /nfs/dbraw/zinc/98/74/80/869987480.db2.gz RMVNIOCENCHNRO-UHFFFAOYSA-N 0 0 404.673 4.391 20 5 HIBDRN COc1ccc([C@@H](C)CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000446029114 869994660 /nfs/dbraw/zinc/99/46/60/869994660.db2.gz OCWPNZWEZWBAFD-ZDUSSCGKSA-N 0 0 421.291 4.218 20 5 HIBDRN Cc1ccc(-c2ncccc2NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000446042165 870003924 /nfs/dbraw/zinc/00/39/24/870003924.db2.gz MZNAACJPDRREHJ-AWEZNQCLSA-N 0 0 424.482 4.151 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000446044372 870006032 /nfs/dbraw/zinc/00/60/32/870006032.db2.gz GMVQGTMHZFSNCM-AWEZNQCLSA-N 0 0 423.847 4.229 20 5 HIBDRN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000446082204 870030412 /nfs/dbraw/zinc/03/04/12/870030412.db2.gz PALNVQAUJKKKMA-TZMCWYRMSA-N 0 0 411.277 4.069 20 5 HIBDRN CC(C)COC[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000446085958 870031507 /nfs/dbraw/zinc/03/15/07/870031507.db2.gz XSBHBHTUVIMOCO-SNVBAGLBSA-N 0 0 417.281 4.156 20 5 HIBDRN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000446084928 870031619 /nfs/dbraw/zinc/03/16/19/870031619.db2.gz KUIWLVNEKYHYLF-ZWNOBZJWSA-N 0 0 411.277 4.021 20 5 HIBDRN CC(C)(C)c1nnc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)s1 ZINC000468421450 882365270 /nfs/dbraw/zinc/36/52/70/882365270.db2.gz XGZIRXIDDDAOBL-UHFFFAOYSA-N 0 0 412.471 4.466 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000446111235 870057841 /nfs/dbraw/zinc/05/78/41/870057841.db2.gz HOVGZJKIXNNOGO-INIZCTEOSA-N 0 0 405.458 4.194 20 5 HIBDRN Cc1ccc(NC(=O)N2CCN(c3cccc4cnccc43)C[C@H]2C)cc1[N+](=O)[O-] ZINC000446111025 870057900 /nfs/dbraw/zinc/05/79/00/870057900.db2.gz FIMOISKMEKNZTD-MRXNPFEDSA-N 0 0 405.458 4.194 20 5 HIBDRN CCC[C@@]1(COC)CCCN1C(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-] ZINC000446114942 870060692 /nfs/dbraw/zinc/06/06/92/870060692.db2.gz XUSFAJNERXQKKF-FQEVSTJZSA-N 0 0 409.483 4.205 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000446146960 870088734 /nfs/dbraw/zinc/08/87/34/870088734.db2.gz MQUNKCYZVKBNEW-LJQANCHMSA-N 0 0 406.442 4.331 20 5 HIBDRN CSCc1cc(F)ccc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000446288174 870219007 /nfs/dbraw/zinc/21/90/07/870219007.db2.gz OAYBVMJTCXARJT-NSHDSACASA-N 0 0 412.870 4.334 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(F)cc2CSC)cc1SC ZINC000446291031 870220233 /nfs/dbraw/zinc/22/02/33/870220233.db2.gz FZCAGAIZNRJBIV-UHFFFAOYSA-N 0 0 410.492 4.257 20 5 HIBDRN COc1cccc(C)c1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000446291705 870220357 /nfs/dbraw/zinc/22/03/57/870220357.db2.gz MXBCPLWAVOKNSM-INIZCTEOSA-N 0 0 415.446 4.116 20 5 HIBDRN CC[C@@H](C)[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000446295898 870222575 /nfs/dbraw/zinc/22/25/75/870222575.db2.gz DSGMQQVWIWOFHY-WBMJQRKESA-N 0 0 403.401 4.125 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000446325686 870243014 /nfs/dbraw/zinc/24/30/14/870243014.db2.gz YQKVAZIUDVOZNX-UHFFFAOYSA-N 0 0 410.861 4.067 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000446339353 870249703 /nfs/dbraw/zinc/24/97/03/870249703.db2.gz FAQBZQSPAJIUHV-MRXNPFEDSA-N 0 0 423.238 4.019 20 5 HIBDRN CCCOc1cc(C)ccc1CNC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000446397780 870299242 /nfs/dbraw/zinc/29/92/42/870299242.db2.gz JUZPZQKVHQRGOD-UHFFFAOYSA-N 0 0 402.447 4.029 20 5 HIBDRN O=C(Nc1cnn(-c2ccccc2F)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000446419815 870330464 /nfs/dbraw/zinc/33/04/64/870330464.db2.gz XYYKMLNCQYCKSV-UHFFFAOYSA-N 0 0 424.310 4.113 20 5 HIBDRN O=C(Nc1cnn(-c2ccccc2F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000446419374 870331394 /nfs/dbraw/zinc/33/13/94/870331394.db2.gz BVCODDLJOAYKKV-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN O=C(Nc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1)C1CCCCC1 ZINC000446423550 870336986 /nfs/dbraw/zinc/33/69/86/870336986.db2.gz GDWYAJRWRJGWFY-UHFFFAOYSA-N 0 0 407.470 4.312 20 5 HIBDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446427557 870344478 /nfs/dbraw/zinc/34/44/78/870344478.db2.gz GZIDPIYAVOSHKI-HNNXBMFYSA-N 0 0 422.485 4.341 20 5 HIBDRN Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446433468 870352273 /nfs/dbraw/zinc/35/22/73/870352273.db2.gz BEMSEUWZFKGHKV-UHFFFAOYSA-N 0 0 408.458 4.095 20 5 HIBDRN O=C(Cn1ncc2ccccc21)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000446434108 870352548 /nfs/dbraw/zinc/35/25/48/870352548.db2.gz GZKNVDRBLOQIAX-UHFFFAOYSA-N 0 0 402.410 4.162 20 5 HIBDRN CN(C)C(=O)c1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000446435033 870353470 /nfs/dbraw/zinc/35/34/70/870353470.db2.gz SJSVREGBKGUUSC-UHFFFAOYSA-N 0 0 419.437 4.128 20 5 HIBDRN O=C(Cc1csc2nc(-c3ccccc3)cn12)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446436220 870355341 /nfs/dbraw/zinc/35/53/41/870355341.db2.gz NINUKZSOASWEAJ-UHFFFAOYSA-N 0 0 418.478 4.098 20 5 HIBDRN O=C([C@H]1C[C@H]1c1cccc(Br)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446441525 870360632 /nfs/dbraw/zinc/36/06/32/870360632.db2.gz AWVLRERFALUKKE-ROUUACIJSA-N 0 0 401.260 4.046 20 5 HIBDRN COc1cc(C(=O)N2C[C@H](C)Sc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000446483355 870396711 /nfs/dbraw/zinc/39/67/11/870396711.db2.gz BXWBLKPDEQDWAA-JTQLQIEISA-N 0 0 410.398 4.346 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000446487926 870400625 /nfs/dbraw/zinc/40/06/25/870400625.db2.gz GVJBEEJXYCGPPV-UHFFFAOYSA-N 0 0 421.375 4.447 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000446494474 870408192 /nfs/dbraw/zinc/40/81/92/870408192.db2.gz LUWRIIHDCWVQNS-UHFFFAOYSA-N 0 0 420.853 4.024 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000446498757 870415864 /nfs/dbraw/zinc/41/58/64/870415864.db2.gz NPRTYHPJQCROIC-OAHLLOKOSA-N 0 0 419.441 4.433 20 5 HIBDRN CC[C@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000446602825 870508627 /nfs/dbraw/zinc/50/86/27/870508627.db2.gz CAPPIYVMBNTZBO-ZDUSSCGKSA-N 0 0 401.850 4.373 20 5 HIBDRN Cc1sc(C(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)cc1[N+](=O)[O-] ZINC000446620112 870523390 /nfs/dbraw/zinc/52/33/90/870523390.db2.gz MOSIWOBAJWKKDE-SFHVURJKSA-N 0 0 423.494 4.153 20 5 HIBDRN CC(C)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cn(-c2ccccc2)nn1 ZINC000446628576 870532855 /nfs/dbraw/zinc/53/28/55/870532855.db2.gz NAMYPIABGFAGGB-UHFFFAOYSA-N 0 0 407.455 4.055 20 5 HIBDRN CC(C)c1ccc(CN(C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000468474224 882431713 /nfs/dbraw/zinc/43/17/13/882431713.db2.gz FPVJMMCJGIHKBR-GOSISDBHSA-N 0 0 420.307 4.139 20 5 HIBDRN Cn1c(=O)c2cc3ccccc3cc2nc1SCCOCC(F)(F)C(F)(F)F ZINC000468477411 882438667 /nfs/dbraw/zinc/43/86/67/882438667.db2.gz GSDFIBJWXBAASN-UHFFFAOYSA-N 0 0 418.387 4.393 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccsc1 ZINC000446874191 870793829 /nfs/dbraw/zinc/79/38/29/870793829.db2.gz BYMKKDJJNZJDGL-UHFFFAOYSA-N 0 0 407.451 4.107 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000446878868 870798857 /nfs/dbraw/zinc/79/88/57/870798857.db2.gz FZEDCBGCJUGHKD-INIZCTEOSA-N 0 0 418.444 4.072 20 5 HIBDRN Cc1nccn1CCCN(C)c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000446881341 870801865 /nfs/dbraw/zinc/80/18/65/870801865.db2.gz PMCLOLJJPBNTTJ-UHFFFAOYSA-N 0 0 407.474 4.187 20 5 HIBDRN O=C(Nc1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000446883705 870803871 /nfs/dbraw/zinc/80/38/71/870803871.db2.gz LCFJOIXXAUHYJD-UHFFFAOYSA-N 0 0 401.422 4.046 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446899972 870818690 /nfs/dbraw/zinc/81/86/90/870818690.db2.gz VRHUUMJPKKYKQV-QWHCGFSZSA-N 0 0 415.881 4.458 20 5 HIBDRN COc1ccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2OC)c([N+](=O)[O-])c1 ZINC000446909979 870826738 /nfs/dbraw/zinc/82/67/38/870826738.db2.gz 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COc1ccc(-c2nc3c(s2)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCC3)cc1 ZINC000468702385 882821574 /nfs/dbraw/zinc/82/15/74/882821574.db2.gz ALIKKNXBIOKFQL-OAHLLOKOSA-N 0 0 424.482 4.117 20 5 HIBDRN O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461385631 874391441 /nfs/dbraw/zinc/39/14/41/874391441.db2.gz JTKBYMWCMJRNEV-UHFFFAOYSA-N 0 0 407.401 4.194 20 5 HIBDRN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000468732427 882833407 /nfs/dbraw/zinc/83/34/07/882833407.db2.gz GGYCVIQILXRKLT-UHFFFAOYSA-N 0 0 407.474 4.052 20 5 HIBDRN CCc1nnc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)s1 ZINC000461474250 874529246 /nfs/dbraw/zinc/52/92/46/874529246.db2.gz LANATAMLYLSHGS-UHFFFAOYSA-N 0 0 400.485 4.090 20 5 HIBDRN CC(C)(C)C[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1 ZINC000461537135 874624230 /nfs/dbraw/zinc/62/42/30/874624230.db2.gz SQJOKWBPSILPJE-QFBILLFUSA-N 0 0 413.522 4.295 20 5 HIBDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)CCNc3ccccc3[N+](=O)[O-])cc2)n1 ZINC000461552430 874640339 /nfs/dbraw/zinc/64/03/39/874640339.db2.gz BQLYJKLBYRZQOG-KRWDZBQOSA-N 0 0 407.474 4.077 20 5 HIBDRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)CC1 ZINC000461582032 874689759 /nfs/dbraw/zinc/68/97/59/874689759.db2.gz IMNKDDVAGSJXAN-ZWKOTPCHSA-N 0 0 413.522 4.152 20 5 HIBDRN C[C@H](c1ccccc1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461582272 874690684 /nfs/dbraw/zinc/69/06/84/874690684.db2.gz VFLALNOYUSDOLQ-SJORKVTESA-N 0 0 407.474 4.087 20 5 HIBDRN Cc1cccc(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC2)c1C ZINC000461583996 874693140 /nfs/dbraw/zinc/69/31/40/874693140.db2.gz LNAOGADEWQWRPU-QGZVFWFLSA-N 0 0 407.474 4.275 20 5 HIBDRN Cc1cccc(N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)c1C ZINC000461584727 874695418 /nfs/dbraw/zinc/69/54/18/874695418.db2.gz ZBUCFRUXRFFUJM-QGZVFWFLSA-N 0 0 407.474 4.275 20 5 HIBDRN COc1cc(S(=O)(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000468776606 882854465 /nfs/dbraw/zinc/85/44/65/882854465.db2.gz BGJNLRAEOUDBRY-SNVBAGLBSA-N 0 0 419.286 4.292 20 5 HIBDRN CCCCCN(C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[C@H](C)CCC ZINC000468791945 882862026 /nfs/dbraw/zinc/86/20/26/882862026.db2.gz BZFJOILKEKNFFF-OAHLLOKOSA-N 0 0 403.479 4.069 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)Nc2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000461634998 874792019 /nfs/dbraw/zinc/79/20/19/874792019.db2.gz ZFJDMHBWEGRQFN-ILHIWHGASA-N 0 0 424.482 4.153 20 5 HIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC2)[C@H]1c1ccccc1 ZINC000461683644 874834379 /nfs/dbraw/zinc/83/43/79/874834379.db2.gz ARABLMMMJJUDAJ-LLGFUMIMSA-N 0 0 419.485 4.087 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nnc(N(CC3CC3)C3CCC3)n2C[C@H]2CCCCO2)c1 ZINC000461687999 874838241 /nfs/dbraw/zinc/83/82/41/874838241.db2.gz XDVRCDRLHJIHFN-HXUWFJFHSA-N 0 0 411.506 4.191 20 5 HIBDRN CC(=O)N(c1nnc(Sc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)s1)C1CC1 ZINC000461733812 874879729 /nfs/dbraw/zinc/87/97/29/874879729.db2.gz OYRHDTLXSUYGQY-UHFFFAOYSA-N 0 0 418.422 4.440 20 5 HIBDRN COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000461755880 874893266 /nfs/dbraw/zinc/89/32/66/874893266.db2.gz MZVRBHJYFFXYQA-RDTXWAMCSA-N 0 0 416.861 4.030 20 5 HIBDRN C[C@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)CC3(C)C)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000461759996 874895392 /nfs/dbraw/zinc/89/53/92/874895392.db2.gz NKWYSVZGNFCQRU-HUUCEWRRSA-N 0 0 401.507 4.116 20 5 HIBDRN Cc1cc(N2CCCN(C(=O)c3ccsc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461769302 874898695 /nfs/dbraw/zinc/89/86/95/874898695.db2.gz RZZYFKNDFNYTGZ-UHFFFAOYSA-N 0 0 413.421 4.336 20 5 HIBDRN CNS(=O)(=O)c1cccc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000461777032 874902207 /nfs/dbraw/zinc/90/22/07/874902207.db2.gz PRQYICYVRMWHLT-NSHDSACASA-N 0 0 417.409 4.003 20 5 HIBDRN CSCC[C@H](C)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 ZINC000461805183 874917929 /nfs/dbraw/zinc/91/79/29/874917929.db2.gz ANAFWSGWTQDHHN-YJBOKZPZSA-N 0 0 419.551 4.000 20 5 HIBDRN CC(C)C[C@@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCCO1 ZINC000461806657 874918887 /nfs/dbraw/zinc/91/88/87/874918887.db2.gz DJLZPZAIADJUIA-VQTJNVASSA-N 0 0 413.522 4.437 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(c1nnc(C2CCC2)n1C[C@@H]1CCCCO1)C1CC1 ZINC000461834710 874968836 /nfs/dbraw/zinc/96/88/36/874968836.db2.gz QPKOCWWJCFGCCB-IBGZPJMESA-N 0 0 411.506 4.192 20 5 HIBDRN Cc1cccc(F)c1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000461925494 875064847 /nfs/dbraw/zinc/06/48/47/875064847.db2.gz HSHTWKUFMWNAQL-INIZCTEOSA-N 0 0 403.410 4.247 20 5 HIBDRN Cc1cc(N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000461941570 875074996 /nfs/dbraw/zinc/07/49/96/875074996.db2.gz PJRPNVUTOZEJDI-MRXNPFEDSA-N 0 0 423.448 4.402 20 5 HIBDRN COc1ccc(CSCC(=O)N2CC[C@@H](C)c3cccc(O)c32)cc1[N+](=O)[O-] ZINC000468855950 882892533 /nfs/dbraw/zinc/89/25/33/882892533.db2.gz DKJCCDNNBCYOOZ-CYBMUJFWSA-N 0 0 402.472 4.083 20 5 HIBDRN CCS[C@H]1CCCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462127811 875230501 /nfs/dbraw/zinc/23/05/01/875230501.db2.gz FRCHRVNVHLCBKB-NSHDSACASA-N 0 0 413.348 4.198 20 5 HIBDRN CCN(CCc1cccs1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462269178 875395740 /nfs/dbraw/zinc/39/57/40/875395740.db2.gz JORKTKKBESCZRA-UHFFFAOYSA-N 0 0 409.316 4.216 20 5 HIBDRN CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462355277 875468326 /nfs/dbraw/zinc/46/83/26/875468326.db2.gz OLUDSRIIMSBBFI-ZDUSSCGKSA-N 0 0 404.275 4.068 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000462386643 875498105 /nfs/dbraw/zinc/49/81/05/875498105.db2.gz BSFJFQGKCPLKAC-CYBMUJFWSA-N 0 0 424.284 4.225 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000462394017 875502396 /nfs/dbraw/zinc/50/23/96/875502396.db2.gz CZECNVDLZNEVNL-KRWDZBQOSA-N 0 0 422.485 4.250 20 5 HIBDRN Cn1c(Sc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)nnc1-c1ccco1 ZINC000462419060 875526953 /nfs/dbraw/zinc/52/69/53/875526953.db2.gz ASIVUMDLEJNUKB-UHFFFAOYSA-N 0 0 409.427 4.109 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000462422758 875528353 /nfs/dbraw/zinc/52/83/53/875528353.db2.gz PHZKQFBPUXAOJI-MOPGFXCFSA-N 0 0 409.486 4.041 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000462422795 875529540 /nfs/dbraw/zinc/52/95/40/875529540.db2.gz PTZYXYZASLOTJG-SFHVURJKSA-N 0 0 409.486 4.041 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000462433608 875538559 /nfs/dbraw/zinc/53/85/59/875538559.db2.gz UVQGIFMFUKXGHH-VQIMIIECSA-N 0 0 411.502 4.465 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(-n2nc(C)cc2C)cc1 ZINC000462436162 875542687 /nfs/dbraw/zinc/54/26/87/875542687.db2.gz IWGQMZIENVDCED-OAQYLSRUSA-N 0 0 420.513 4.325 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000462437968 875542940 /nfs/dbraw/zinc/54/29/40/875542940.db2.gz QRBROHCDNAUIOR-CQSZACIVSA-N 0 0 415.877 4.348 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000462438701 875544553 /nfs/dbraw/zinc/54/45/53/875544553.db2.gz USHGNWZJMOSWQF-SFHVURJKSA-N 0 0 418.497 4.154 20 5 HIBDRN CCN(Cc1cccc(F)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462466476 875573639 /nfs/dbraw/zinc/57/36/39/875573639.db2.gz OQOPRJZRQQHNQQ-UHFFFAOYSA-N 0 0 407.250 4.252 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000462477072 875582997 /nfs/dbraw/zinc/58/29/97/875582997.db2.gz VJMLONHFTHPSOK-LSDHHAIUSA-N 0 0 413.503 4.146 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000462479188 875585611 /nfs/dbraw/zinc/58/56/11/875585611.db2.gz FZCHZMTULYSKEA-QFBILLFUSA-N 0 0 416.449 4.499 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000462482645 875590738 /nfs/dbraw/zinc/59/07/38/875590738.db2.gz HLSNSZNKKIWBFD-SFHVURJKSA-N 0 0 418.515 4.125 20 5 HIBDRN CCc1nccn1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462489451 875599990 /nfs/dbraw/zinc/59/99/90/875599990.db2.gz NNYVIEILWODWLA-SFHVURJKSA-N 0 0 407.474 4.169 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 ZINC000462495272 875608648 /nfs/dbraw/zinc/60/86/48/875608648.db2.gz KKEFATMMJVZAJB-MJGOQNOKSA-N 0 0 411.502 4.195 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2ncoc2-c2ccccc2)nc1OCc1ccccc1 ZINC000462498229 875612603 /nfs/dbraw/zinc/61/26/03/875612603.db2.gz AOOSOBCCTVXXDO-UHFFFAOYSA-N 0 0 402.410 4.836 20 5 HIBDRN COc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1OC ZINC000462501362 875618049 /nfs/dbraw/zinc/61/80/49/875618049.db2.gz MLIYRGAPLIPOCE-HNNXBMFYSA-N 0 0 409.442 4.759 20 5 HIBDRN COc1cc(Cc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)c([N+](=O)[O-])c(OC)c1 ZINC000462505964 875622180 /nfs/dbraw/zinc/62/21/80/875622180.db2.gz RNRHAEXCWLCNOX-JTQLQIEISA-N 0 0 415.471 4.038 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)OC)cc1OC(F)F ZINC000462506906 875624402 /nfs/dbraw/zinc/62/44/02/875624402.db2.gz XIEUXWWLLXWZLS-ZDUSSCGKSA-N 0 0 422.384 4.190 20 5 HIBDRN Cc1cc(NC(=O)Cc2csc(Cc3ccccc3)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462564511 875690733 /nfs/dbraw/zinc/69/07/33/875690733.db2.gz DXECCQBXDWVFLP-UHFFFAOYSA-N 0 0 418.478 4.102 20 5 HIBDRN C[C@H]1CCCc2ccccc2[C@H]1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000462589727 875707130 /nfs/dbraw/zinc/70/71/30/875707130.db2.gz IJBYFBFSMIDKRG-NYHFZMIOSA-N 0 0 423.469 4.113 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000468899514 882950154 /nfs/dbraw/zinc/95/01/54/882950154.db2.gz JBGDQSBVHAHVOM-CQSZACIVSA-N 0 0 417.512 4.408 20 5 HIBDRN Cc1ccc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c(Br)c1 ZINC000462599447 875714550 /nfs/dbraw/zinc/71/45/50/875714550.db2.gz RKNGXGNIXVERNJ-UHFFFAOYSA-N 0 0 400.232 4.197 20 5 HIBDRN CCO[C@@H](C)c1nc(CN(C)C(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000462612964 875724850 /nfs/dbraw/zinc/72/48/50/875724850.db2.gz HLXFYXDEDDLBCU-GOEBONIOSA-N 0 0 405.520 4.376 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000462621841 875733209 /nfs/dbraw/zinc/73/32/09/875733209.db2.gz SRDRWJJKRKXSHH-UKRRQHHQSA-N 0 0 404.438 4.197 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000462628458 875739530 /nfs/dbraw/zinc/73/95/30/875739530.db2.gz DCYHGLJDMYVFLB-AOCRQIFASA-N 0 0 404.507 4.180 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000462643902 875753838 /nfs/dbraw/zinc/75/38/38/875753838.db2.gz WFWRFEFIIIQTCT-DYESRHJHSA-N 0 0 420.469 4.181 20 5 HIBDRN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000462660401 875764400 /nfs/dbraw/zinc/76/44/00/875764400.db2.gz JVKCILQCEYHTJR-QGZVFWFLSA-N 0 0 414.886 4.275 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC(CCCn3ccnc3)CC2)nc1OCc1ccccc1 ZINC000462705960 875791434 /nfs/dbraw/zinc/79/14/34/875791434.db2.gz YHTHLTNUNNUJNN-UHFFFAOYSA-N 0 0 421.501 4.462 20 5 HIBDRN Cc1ncn(-c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1C ZINC000462766567 875827242 /nfs/dbraw/zinc/82/72/42/875827242.db2.gz VEHHAKYQNKZEDT-CQSZACIVSA-N 0 0 414.849 4.457 20 5 HIBDRN Cc1ncn(-c2ccc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)cc2)c1C ZINC000462765864 875827607 /nfs/dbraw/zinc/82/76/07/875827607.db2.gz UXTXPQQTRXZUJA-UHFFFAOYSA-N 0 0 402.357 4.251 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000462774371 875833271 /nfs/dbraw/zinc/83/32/71/875833271.db2.gz NXZKTTLAENWSTG-UYAOXDASSA-N 0 0 406.486 4.204 20 5 HIBDRN COc1cc(NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000462780180 875836074 /nfs/dbraw/zinc/83/60/74/875836074.db2.gz PTURNVJNZCWMGU-UGSOOPFHSA-N 0 0 423.872 4.270 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000462793507 875844516 /nfs/dbraw/zinc/84/45/16/875844516.db2.gz QGAIISVLSSSSKW-UHFFFAOYSA-N 0 0 416.833 4.037 20 5 HIBDRN COc1cc(OC)cc(-c2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)n2)c1 ZINC000462850986 875885539 /nfs/dbraw/zinc/88/55/39/875885539.db2.gz HCSDJRRBFKZSFT-UHFFFAOYSA-N 0 0 407.426 4.164 20 5 HIBDRN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCn2c(cc3ccccc32)C1 ZINC000462865081 875896643 /nfs/dbraw/zinc/89/66/43/875896643.db2.gz ZVGVEYCQEXJIJG-UHFFFAOYSA-N 0 0 411.436 4.431 20 5 HIBDRN Cc1ccnc(Nc2ccc(CCn3cc(Br)cn3)cc2)c1[N+](=O)[O-] ZINC000462873379 875902629 /nfs/dbraw/zinc/90/26/29/875902629.db2.gz YHDQGSXCCQTEKZ-UHFFFAOYSA-N 0 0 402.252 4.244 20 5 HIBDRN COc1cc(CNc2cn(C)nc2C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462877437 875905940 /nfs/dbraw/zinc/90/59/40/875905940.db2.gz MXTIBNGXMQQCKP-UHFFFAOYSA-N 0 0 408.458 4.405 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000462899030 875923495 /nfs/dbraw/zinc/92/34/95/875923495.db2.gz VZNSUNWLERANHN-UHFFFAOYSA-N 0 0 411.483 4.087 20 5 HIBDRN C[C@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000462904409 875929899 /nfs/dbraw/zinc/92/98/99/875929899.db2.gz UOPTYNSZHMVMRT-LPHOPBHVSA-N 0 0 404.470 4.189 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2noc(C3CC3)n2)CC1 ZINC000462906336 875931040 /nfs/dbraw/zinc/93/10/40/875931040.db2.gz LOHIOFIOVIRLOH-UHFFFAOYSA-N 0 0 422.894 4.007 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000462916987 875942783 /nfs/dbraw/zinc/94/27/83/875942783.db2.gz MJIMNRGCKREOQB-RDTXWAMCSA-N 0 0 424.375 4.186 20 5 HIBDRN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462919343 875947598 /nfs/dbraw/zinc/94/75/98/875947598.db2.gz OSXOYIKQCGWORV-VQIMIIECSA-N 0 0 409.467 4.368 20 5 HIBDRN C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c2ccccc21 ZINC000462920434 875948718 /nfs/dbraw/zinc/94/87/18/875948718.db2.gz ZNHCFJFXAPQBJN-ZDUSSCGKSA-N 0 0 411.845 4.009 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000462930691 875959025 /nfs/dbraw/zinc/95/90/25/875959025.db2.gz SOIMMLBKJNKNKU-KRWDZBQOSA-N 0 0 406.486 4.446 20 5 HIBDRN CNc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cccc1[N+](=O)[O-] ZINC000462931272 875959545 /nfs/dbraw/zinc/95/95/45/875959545.db2.gz FTFVAMRKMWUAEG-UHFFFAOYSA-N 0 0 408.389 4.280 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000462967520 875981917 /nfs/dbraw/zinc/98/19/17/875981917.db2.gz MNQODNALDIJRQD-XMMPIXPASA-N 0 0 417.465 4.115 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000462996347 876011552 /nfs/dbraw/zinc/01/15/52/876011552.db2.gz RZYGFMXMWCMEOJ-MGPUTAFESA-N 0 0 404.413 4.042 20 5 HIBDRN CNc1c(C(=O)Nc2nc(-c3ccc(OC)c(F)c3)cs2)cccc1[N+](=O)[O-] ZINC000462999185 876013618 /nfs/dbraw/zinc/01/36/18/876013618.db2.gz XHEKDSFNXMNMHM-UHFFFAOYSA-N 0 0 402.407 4.160 20 5 HIBDRN C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000463029134 876049946 /nfs/dbraw/zinc/04/99/46/876049946.db2.gz NLMQGCHUESNGID-LBPRGKRZSA-N 0 0 400.385 4.053 20 5 HIBDRN COCCCn1c(Sc2ncc(C)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl ZINC000463048586 876077031 /nfs/dbraw/zinc/07/70/31/876077031.db2.gz MSTPNJKJXQBCEY-UHFFFAOYSA-N 0 0 419.894 4.398 20 5 HIBDRN Cc1cnc(NCc2ccccc2-c2ccc(Cn3cncn3)cc2)c([N+](=O)[O-])c1 ZINC000463057617 876086214 /nfs/dbraw/zinc/08/62/14/876086214.db2.gz RFMCSUQWBLBUEE-UHFFFAOYSA-N 0 0 400.442 4.217 20 5 HIBDRN C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Oc1cccc(Cl)c1 ZINC000463076323 876107671 /nfs/dbraw/zinc/10/76/71/876107671.db2.gz WXBVOYQXASOGOX-AWEZNQCLSA-N 0 0 403.866 4.364 20 5 HIBDRN COc1ccc(Nc2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)cc1 ZINC000463103476 876140106 /nfs/dbraw/zinc/14/01/06/876140106.db2.gz ATPDSIODXYUJLD-LJQANCHMSA-N 0 0 409.446 4.175 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000463135027 876183294 /nfs/dbraw/zinc/18/32/94/876183294.db2.gz RZTTXNHMYXWHGQ-UHFFFAOYSA-N 0 0 424.416 4.250 20 5 HIBDRN CN(CC(=O)Nc1cccc(-c2nc3ccccc3n2C)c1)c1ccccc1[N+](=O)[O-] ZINC000463139731 876190221 /nfs/dbraw/zinc/19/02/21/876190221.db2.gz FJUMVMJDVFOCNI-UHFFFAOYSA-N 0 0 415.453 4.223 20 5 HIBDRN CCOc1ccc(NC(=O)CNc2cccc(C)c2Br)c([N+](=O)[O-])c1 ZINC000468950336 883016109 /nfs/dbraw/zinc/01/61/09/883016109.db2.gz MDKKTSXAJPPEID-UHFFFAOYSA-N 0 0 408.252 4.115 20 5 HIBDRN C[C@H](Sc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000463256711 876313657 /nfs/dbraw/zinc/31/36/57/876313657.db2.gz KKEJPPOOWNSCKF-JKSUJKDBSA-N 0 0 417.535 4.209 20 5 HIBDRN C[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1[N+](=O)[O-] ZINC000463258172 876316657 /nfs/dbraw/zinc/31/66/57/876316657.db2.gz KRGJTMSEBYMMOG-AWEZNQCLSA-N 0 0 407.517 4.018 20 5 HIBDRN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000463260027 876318375 /nfs/dbraw/zinc/31/83/75/876318375.db2.gz UHFNQAGIMQWDHJ-OAHLLOKOSA-N 0 0 410.499 4.224 20 5 HIBDRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000463273548 876330665 /nfs/dbraw/zinc/33/06/65/876330665.db2.gz MGTVYXNQXJTTRI-CYBMUJFWSA-N 0 0 421.482 4.254 20 5 HIBDRN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000463299642 876359674 /nfs/dbraw/zinc/35/96/74/876359674.db2.gz FXABSESAUUJFKW-UHFFFAOYSA-N 0 0 421.375 4.105 20 5 HIBDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000463319859 876377578 /nfs/dbraw/zinc/37/75/78/876377578.db2.gz CYFAKZUOSVCOGN-NSHDSACASA-N 0 0 421.375 4.453 20 5 HIBDRN O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463423457 876479034 /nfs/dbraw/zinc/47/90/34/876479034.db2.gz GAZNJDBOTKKCGI-UHFFFAOYSA-N 0 0 421.375 4.282 20 5 HIBDRN CC[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000463513763 876578029 /nfs/dbraw/zinc/57/80/29/876578029.db2.gz JMGRMHCQZUKOPC-KXBFYZLASA-N 0 0 400.454 4.011 20 5 HIBDRN CCCOc1ccc(CCC(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000463539040 876619362 /nfs/dbraw/zinc/61/93/62/876619362.db2.gz CJOQXCFXCZNHBK-UHFFFAOYSA-N 0 0 408.458 4.449 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000463545055 876627232 /nfs/dbraw/zinc/62/72/32/876627232.db2.gz IGENUWKVJCQOIT-HNNXBMFYSA-N 0 0 400.450 4.256 20 5 HIBDRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000463554346 876639667 /nfs/dbraw/zinc/63/96/67/876639667.db2.gz XYNVYGIXAQLHSH-ZMYBRWDISA-N 0 0 400.479 4.401 20 5 HIBDRN CC[C@H](C)N(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(N)=O)cc1 ZINC000463607550 876726973 /nfs/dbraw/zinc/72/69/73/876726973.db2.gz SGRONRVZPWZACQ-LBPRGKRZSA-N 0 0 421.906 4.271 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000463612943 876733372 /nfs/dbraw/zinc/73/33/72/876733372.db2.gz OPICQHOIYTWNBU-UHFFFAOYSA-N 0 0 413.449 4.132 20 5 HIBDRN CC(C)n1c(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc21 ZINC000463661343 876782856 /nfs/dbraw/zinc/78/28/56/876782856.db2.gz AYRYGDPUQYUTPT-UHFFFAOYSA-N 0 0 406.364 4.474 20 5 HIBDRN C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463694065 876814190 /nfs/dbraw/zinc/81/41/90/876814190.db2.gz AEGXOPKVTRCYRV-ZDUSSCGKSA-N 0 0 411.439 4.271 20 5 HIBDRN CCc1ccc(-c2ccc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000463704886 876824029 /nfs/dbraw/zinc/82/40/29/876824029.db2.gz RGUQPSQKJZJJGH-KRWDZBQOSA-N 0 0 406.442 4.139 20 5 HIBDRN Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463742167 876863877 /nfs/dbraw/zinc/86/38/77/876863877.db2.gz UUOLQMFVSXPULY-HHHXNRCGSA-N 0 0 400.378 4.053 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000463743063 876864916 /nfs/dbraw/zinc/86/49/16/876864916.db2.gz BHUKVIYZFLIXOL-HNNXBMFYSA-N 0 0 409.490 5.002 20 5 HIBDRN O=C(C[C@@H]1CCCCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000469009991 883077279 /nfs/dbraw/zinc/07/72/79/883077279.db2.gz OQJQUARWZHOYJZ-INIZCTEOSA-N 0 0 402.472 4.324 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000463944434 877065288 /nfs/dbraw/zinc/06/52/88/877065288.db2.gz OVFQNIBRTCHIRE-JKSUJKDBSA-N 0 0 415.465 4.168 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000463953494 877075420 /nfs/dbraw/zinc/07/54/20/877075420.db2.gz VREQZPUYPOZNFZ-CQSZACIVSA-N 0 0 420.416 4.213 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000463963026 877088331 /nfs/dbraw/zinc/08/83/31/877088331.db2.gz HKJTYLAHBJXBLR-OAHLLOKOSA-N 0 0 416.865 4.182 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000463996860 877133659 /nfs/dbraw/zinc/13/36/59/877133659.db2.gz OBEQWWPOXDHMTE-FQEVSTJZSA-N 0 0 417.465 4.250 20 5 HIBDRN C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000464020319 877155163 /nfs/dbraw/zinc/15/51/63/877155163.db2.gz MUQJDUNNAMYRDI-SNVBAGLBSA-N 0 0 402.756 4.464 20 5 HIBDRN CO[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000464025222 877160716 /nfs/dbraw/zinc/16/07/16/877160716.db2.gz VSIOFWVMYYJBLV-OAHLLOKOSA-N 0 0 402.756 4.385 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CCc1cccc2ccccc21 ZINC000464042872 877182281 /nfs/dbraw/zinc/18/22/81/877182281.db2.gz CSGYXMLNCRSPBZ-UHFFFAOYSA-N 0 0 405.454 4.004 20 5 HIBDRN CCc1cnc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)s1 ZINC000464135147 877296937 /nfs/dbraw/zinc/29/69/37/877296937.db2.gz ZOSJICMJPLGMGT-UHFFFAOYSA-N 0 0 413.455 4.345 20 5 HIBDRN O=C(NCc1ccc(COC2CCOCC2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503237937 912218833 /nfs/dbraw/zinc/21/88/33/912218833.db2.gz CKZPJUNDFCDPKP-UHFFFAOYSA-N 0 0 419.865 4.266 20 5 HIBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H](CO)c2ccc(Br)cc2)o1 ZINC000503241491 912219991 /nfs/dbraw/zinc/21/99/91/912219991.db2.gz AZDBKGAVUNBVLJ-KRWDZBQOSA-N 0 0 417.259 4.441 20 5 HIBDRN CC(C)(CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1c(F)cccc1Cl ZINC000464165181 877332365 /nfs/dbraw/zinc/33/23/65/877332365.db2.gz DHSIJTGZYALXQJ-UHFFFAOYSA-N 0 0 416.840 4.281 20 5 HIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000464170462 877336666 /nfs/dbraw/zinc/33/66/66/877336666.db2.gz RZDFBVHESABQQP-AWEZNQCLSA-N 0 0 411.483 4.430 20 5 HIBDRN COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000464172986 877339770 /nfs/dbraw/zinc/33/97/70/877339770.db2.gz AXJPNQFHYZLWCZ-GFCCVEGCSA-N 0 0 407.264 4.069 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000464184831 877354883 /nfs/dbraw/zinc/35/48/83/877354883.db2.gz URYPNQSNCUNBIR-UHFFFAOYSA-N 0 0 409.667 4.138 20 5 HIBDRN Cc1nn(CCC(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000464213174 877383028 /nfs/dbraw/zinc/38/30/28/877383028.db2.gz UDADYBIBDPIHOL-NRFANRHFSA-N 0 0 404.470 4.124 20 5 HIBDRN O=C(N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000464217783 877387210 /nfs/dbraw/zinc/38/72/10/877387210.db2.gz ZPCDKCWETIIHQQ-IBGZPJMESA-N 0 0 414.801 4.132 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000464240148 877416435 /nfs/dbraw/zinc/41/64/35/877416435.db2.gz SXUAMQIPRCRTRC-LBPRGKRZSA-N 0 0 413.503 4.469 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CCSC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464239368 877416509 /nfs/dbraw/zinc/41/65/09/877416509.db2.gz VBTCGLZDMBTPGU-CYBMUJFWSA-N 0 0 408.863 4.284 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000464242002 877419928 /nfs/dbraw/zinc/41/99/28/877419928.db2.gz MHOTVAHJPUROMH-INIZCTEOSA-N 0 0 412.446 4.368 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000464263087 877444874 /nfs/dbraw/zinc/44/48/74/877444874.db2.gz XZSZHNYGBCIBHQ-CYBMUJFWSA-N 0 0 405.435 4.439 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464264450 877445506 /nfs/dbraw/zinc/44/55/06/877445506.db2.gz 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CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(ccc(F)c3C)s2)cc1OC ZINC000465266294 878695932 /nfs/dbraw/zinc/69/59/32/878695932.db2.gz NKIKUJBKVDOWNP-UHFFFAOYSA-N 0 0 405.407 4.312 20 5 HIBDRN O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000465277348 878711325 /nfs/dbraw/zinc/71/13/25/878711325.db2.gz KCVBKVLZOGEZQN-UHFFFAOYSA-N 0 0 419.228 4.007 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000465346630 878781255 /nfs/dbraw/zinc/78/12/55/878781255.db2.gz XOXNEUZQZSCMSH-UHFFFAOYSA-N 0 0 400.475 4.373 20 5 HIBDRN Cc1c(NCC(C)(C)C)cccc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000465430853 878861636 /nfs/dbraw/zinc/86/16/36/878861636.db2.gz RWVQBJVUPOPUAM-INIZCTEOSA-N 0 0 411.506 4.083 20 5 HIBDRN COc1cccc(OC)c1CC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000465448830 878879025 /nfs/dbraw/zinc/87/90/25/878879025.db2.gz ONHIBQWLXIKWFH-UHFFFAOYSA-N 0 0 413.455 4.225 20 5 HIBDRN COc1ccc2c(c1)N(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CCCC2 ZINC000465534414 878991616 /nfs/dbraw/zinc/99/16/16/878991616.db2.gz QKUDLWVOKJWDJY-UHFFFAOYSA-N 0 0 422.384 4.197 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1ccc2c(c1)OCCO2 ZINC000503422684 912415120 /nfs/dbraw/zinc/41/51/20/912415120.db2.gz RBBWKRYGJROADP-UHFFFAOYSA-N 0 0 416.499 4.231 20 5 HIBDRN C[C@H]1c2cc(Cl)cc(Cl)c2CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000465618691 879122024 /nfs/dbraw/zinc/12/20/24/879122024.db2.gz LDARSJPYKNTGJH-JTQLQIEISA-N 0 0 415.298 4.429 20 5 HIBDRN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000465629485 879138880 /nfs/dbraw/zinc/13/88/80/879138880.db2.gz BEERUWKXQXONOA-AVRDEDQJSA-N 0 0 411.502 4.398 20 5 HIBDRN CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503433040 912434107 /nfs/dbraw/zinc/43/41/07/912434107.db2.gz KLKDWNGJKDCSDL-HNNXBMFYSA-N 0 0 402.472 4.296 20 5 HIBDRN CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503433044 912435230 /nfs/dbraw/zinc/43/52/30/912435230.db2.gz KLKDWNGJKDCSDL-OAHLLOKOSA-N 0 0 402.472 4.296 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000465704098 879268050 /nfs/dbraw/zinc/26/80/50/879268050.db2.gz FJFHYBJLPJWXKI-UHFFFAOYSA-N 0 0 420.469 4.397 20 5 HIBDRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000465703754 879268474 /nfs/dbraw/zinc/26/84/74/879268474.db2.gz BRWVSYQMFUUHCM-WMLDXEAASA-N 0 0 401.463 4.442 20 5 HIBDRN C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000465724945 879301749 /nfs/dbraw/zinc/30/17/49/879301749.db2.gz MRIQLFOENSRDMR-ZDUSSCGKSA-N 0 0 411.380 4.139 20 5 HIBDRN Cc1ccc(CCN(Cc2ccco2)C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000465754024 879344225 /nfs/dbraw/zinc/34/42/25/879344225.db2.gz LIZWPLYEYYZGLH-UHFFFAOYSA-N 0 0 407.470 4.493 20 5 HIBDRN CC(C)(CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000465943874 879612208 /nfs/dbraw/zinc/61/22/08/879612208.db2.gz QPXARDTXAQWODA-UHFFFAOYSA-N 0 0 415.465 4.265 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000466030015 879716964 /nfs/dbraw/zinc/71/69/64/879716964.db2.gz KRXYCQUCSRCYFT-OAHLLOKOSA-N 0 0 423.256 4.219 20 5 HIBDRN O=C(NC[C@H]1CCO[C@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000466068327 879768402 /nfs/dbraw/zinc/76/84/02/879768402.db2.gz YMYUTGGJOMIMLP-DYVFJYSZSA-N 0 0 407.373 4.096 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(c2nc3ccccc3s2)CC1 ZINC000466140179 879850277 /nfs/dbraw/zinc/85/02/77/879850277.db2.gz CNTQMRUUOWJNNX-UHFFFAOYSA-N 0 0 410.499 4.336 20 5 HIBDRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000466141291 879850784 /nfs/dbraw/zinc/85/07/84/879850784.db2.gz NKYLFWXMXAFOCY-UHFFFAOYSA-N 0 0 404.470 4.431 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000466218840 879916132 /nfs/dbraw/zinc/91/61/32/879916132.db2.gz SOSHWPJUWKBVDR-QZTJIDSGSA-N 0 0 407.829 4.107 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)o2)cs1 ZINC000466221761 879920338 /nfs/dbraw/zinc/92/03/38/879920338.db2.gz UIFKPENGOZFXRN-UHFFFAOYSA-N 0 0 406.851 4.273 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2sccc21 ZINC000466237265 879943435 /nfs/dbraw/zinc/94/34/35/879943435.db2.gz QGDUSLVUQIURCQ-OAHLLOKOSA-N 0 0 420.512 4.119 20 5 HIBDRN Cn1ccc(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 ZINC000466240433 879947944 /nfs/dbraw/zinc/94/79/44/879947944.db2.gz DCOSZIWTSMGRDX-UHFFFAOYSA-N 0 0 402.863 4.063 20 5 HIBDRN O=C(Cc1ccc(F)c(Br)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466261289 879990635 /nfs/dbraw/zinc/99/06/35/879990635.db2.gz DNHNJIYCSCFDKT-UHFFFAOYSA-N 0 0 401.619 4.009 20 5 HIBDRN O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000466269891 880004835 /nfs/dbraw/zinc/00/48/35/880004835.db2.gz QYNSBEAKNMUUIU-UHFFFAOYSA-N 0 0 414.780 4.287 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000466278064 880017787 /nfs/dbraw/zinc/01/77/87/880017787.db2.gz OBECTAFRLXRDBE-MRXNPFEDSA-N 0 0 423.494 4.019 20 5 HIBDRN O=C(CCc1cc(Br)cs1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466297951 880044132 /nfs/dbraw/zinc/04/41/32/880044132.db2.gz OXULXVFKAHYQAL-UHFFFAOYSA-N 0 0 403.685 4.321 20 5 HIBDRN CC[C@@H](Cc1ccccc1Br)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000466301100 880048744 /nfs/dbraw/zinc/04/87/44/880048744.db2.gz WNCIJNQHZRJUHN-AWEZNQCLSA-N 0 0 421.291 4.251 20 5 HIBDRN O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466323564 880078089 /nfs/dbraw/zinc/07/80/89/880078089.db2.gz YEEUSWLVLIWCEZ-UHFFFAOYSA-N 0 0 411.364 4.055 20 5 HIBDRN C[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Sc1ccccc1 ZINC000466324683 880078240 /nfs/dbraw/zinc/07/82/40/880078240.db2.gz GXXZPXOMTIBERT-INIZCTEOSA-N 0 0 415.515 4.328 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2NC(C)(C)C)cc1OC ZINC000466470091 880253017 /nfs/dbraw/zinc/25/30/17/880253017.db2.gz ZMQWPPDCRVGCFE-UHFFFAOYSA-N 0 0 417.462 4.091 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000466505232 880280885 /nfs/dbraw/zinc/28/08/85/880280885.db2.gz OGVXZCUBLQMAFF-NSHDSACASA-N 0 0 409.236 4.162 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000466505686 880281002 /nfs/dbraw/zinc/28/10/02/880281002.db2.gz PYCIXLVKYPLIIF-UHFFFAOYSA-N 0 0 418.247 4.419 20 5 HIBDRN CCn1ncc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1C(F)(F)F ZINC000466506621 880282300 /nfs/dbraw/zinc/28/23/00/880282300.db2.gz VQYJIXCXLRXXKY-UHFFFAOYSA-N 0 0 408.789 4.214 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000466508491 880283572 /nfs/dbraw/zinc/28/35/72/880283572.db2.gz GCBCWHMSWMWSHU-UHFFFAOYSA-N 0 0 417.506 4.187 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3ccnn3C)ccc2C)cc1SC ZINC000466542807 880317450 /nfs/dbraw/zinc/31/74/50/880317450.db2.gz BXUXVJXARWTYSF-UHFFFAOYSA-N 0 0 412.471 4.287 20 5 HIBDRN O=C(NCCc1ccc(Br)s1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466565736 880340885 /nfs/dbraw/zinc/34/08/85/880340885.db2.gz LENONPKYRAPGHS-UHFFFAOYSA-N 0 0 418.700 4.114 20 5 HIBDRN COC(=O)C[C@H](C)NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466598566 880368523 /nfs/dbraw/zinc/36/85/23/880368523.db2.gz RJMDFHHPOJLDKZ-NSHDSACASA-N 0 0 408.863 4.081 20 5 HIBDRN O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000503513845 912562383 /nfs/dbraw/zinc/56/23/83/912562383.db2.gz PUXNNKOYLHGCHH-UHFFFAOYSA-N 0 0 402.414 4.177 20 5 HIBDRN CC[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC000466648024 880423421 /nfs/dbraw/zinc/42/34/21/880423421.db2.gz KWRPDWMYYUGMBX-ZDUSSCGKSA-N 0 0 400.328 4.340 20 5 HIBDRN COC(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1OC(C)C ZINC000466652288 880428608 /nfs/dbraw/zinc/42/86/08/880428608.db2.gz VNJFUKASXQRQBA-UHFFFAOYSA-N 0 0 406.822 4.003 20 5 HIBDRN C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(-n2cccn2)c1 ZINC000466694683 880486506 /nfs/dbraw/zinc/48/65/06/880486506.db2.gz GFKPYWVXLQEGRW-LBPRGKRZSA-N 0 0 417.372 4.265 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)c(C3CC3)c2)ccc1[N+](=O)[O-] ZINC000466758206 880537311 /nfs/dbraw/zinc/53/73/11/880537311.db2.gz KRLYSEVWLUPOIX-HXUWFJFHSA-N 0 0 411.433 4.163 20 5 HIBDRN CN(CCCOCc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000466777913 880557168 /nfs/dbraw/zinc/55/71/68/880557168.db2.gz ORZLULSNUCMQFT-UHFFFAOYSA-N 0 0 407.264 4.036 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2nc3ccc(F)cc3o2)CC1 ZINC000466818192 880592368 /nfs/dbraw/zinc/59/23/68/880592368.db2.gz XZJDKUQCDBGVJI-UHFFFAOYSA-N 0 0 424.354 4.216 20 5 HIBDRN COCC[C@H]1CCCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000466830559 880600420 /nfs/dbraw/zinc/60/04/20/880600420.db2.gz FYAPWPFCVGXAGU-CQSZACIVSA-N 0 0 417.428 4.081 20 5 HIBDRN CN(Cc1cc(Cl)cn1C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000466839416 880607610 /nfs/dbraw/zinc/60/76/10/880607610.db2.gz AUTAXLHDWYSPQQ-UHFFFAOYSA-N 0 0 421.828 4.356 20 5 HIBDRN COCC[C@@H]1CCCCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000466841687 880609935 /nfs/dbraw/zinc/60/99/35/880609935.db2.gz NHHRKWFGERHNFG-QRVBRYPASA-N 0 0 417.550 4.356 20 5 HIBDRN COCC[C@@H]1CCCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000466841686 880610325 /nfs/dbraw/zinc/61/03/25/880610325.db2.gz NHHRKWFGERHNFG-OTWHNJEPSA-N 0 0 417.550 4.356 20 5 HIBDRN COC(=O)C1(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCC1 ZINC000466864764 880632735 /nfs/dbraw/zinc/63/27/35/880632735.db2.gz WCRGIWPYVSZILO-UHFFFAOYSA-N 0 0 420.874 4.225 20 5 HIBDRN C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-n2cccn2)cc1 ZINC000466970515 880769902 /nfs/dbraw/zinc/76/99/02/880769902.db2.gz ZRSRIDMJCLEQGX-LBPRGKRZSA-N 0 0 417.372 4.265 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)c1 ZINC000467001191 880810538 /nfs/dbraw/zinc/81/05/38/880810538.db2.gz XGLQRXAURAOWBK-UHFFFAOYSA-N 0 0 405.423 4.457 20 5 HIBDRN CCOC(=O)c1ccnc(N[C@H](CC)c2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000467005912 880813951 /nfs/dbraw/zinc/81/39/51/880813951.db2.gz QLMRYXPUSKCLSU-SECBINFHSA-N 0 0 404.370 4.205 20 5 HIBDRN Cc1noc(C[C@H](Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)n1 ZINC000503545878 912610198 /nfs/dbraw/zinc/61/01/98/912610198.db2.gz BEEDTDOAVXUWPZ-INIZCTEOSA-N 0 0 403.236 4.445 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000467022098 880824151 /nfs/dbraw/zinc/82/41/51/880824151.db2.gz ICDYIDYMFCGJSG-CQSZACIVSA-N 0 0 419.890 4.418 20 5 HIBDRN CC(C)CO[C@H](C)c1noc(CN(C)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000467029584 880828749 /nfs/dbraw/zinc/82/87/49/880828749.db2.gz VXHGAHZSIBZQQD-LLVKDONJSA-N 0 0 413.272 4.110 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(Br)c(F)cc1F ZINC000467036466 880834762 /nfs/dbraw/zinc/83/47/62/880834762.db2.gz XLVBBDGTTXMHAM-UHFFFAOYSA-N 0 0 400.179 4.076 20 5 HIBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cc(Oc2ccccc2)ccn1 ZINC000467100453 880862612 /nfs/dbraw/zinc/86/26/12/880862612.db2.gz LXPXDJWIIMOFNJ-UHFFFAOYSA-N 0 0 401.382 4.220 20 5 HIBDRN Cc1nc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])ccc1Br ZINC000467127809 880880238 /nfs/dbraw/zinc/88/02/38/880880238.db2.gz QMVMAOOQHKHIGK-UHFFFAOYSA-N 0 0 414.643 4.122 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000467159223 880891756 /nfs/dbraw/zinc/89/17/56/880891756.db2.gz OQUQKFXDHAVKKN-GFCCVEGCSA-N 0 0 404.854 4.098 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000467180462 880907870 /nfs/dbraw/zinc/90/78/70/880907870.db2.gz FSBIABSLQPKUPR-KPZWWZAWSA-N 0 0 424.284 4.302 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000467187946 880913598 /nfs/dbraw/zinc/91/35/98/880913598.db2.gz VQXQZCYGGHECNL-SCLBCKFNSA-N 0 0 414.849 4.433 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)N(C)Cc2csc(Br)c2)cccc1[N+](=O)[O-] ZINC000467190870 880917943 /nfs/dbraw/zinc/91/79/43/880917943.db2.gz JHCBAVNDAHXBBJ-LLVKDONJSA-N 0 0 412.309 4.186 20 5 HIBDRN CN(C[C@@H]1CCCCO1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467197018 880926961 /nfs/dbraw/zinc/92/69/61/880926961.db2.gz RMHWKCAOYFJLJZ-PXNSSMCTSA-N 0 0 417.893 4.429 20 5 HIBDRN COCc1ccc([C@@H]2CCCN2C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000467213091 880942558 /nfs/dbraw/zinc/94/25/58/880942558.db2.gz LXYYGPJYXMVGKF-INIZCTEOSA-N 0 0 407.854 4.077 20 5 HIBDRN COC(=O)C(C)(C)c1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000467331928 881080873 /nfs/dbraw/zinc/08/08/73/881080873.db2.gz FDKMBFBKDQCBSD-UHFFFAOYSA-N 0 0 405.838 4.021 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N(C)[C@@H](CCO)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000503578279 912663353 /nfs/dbraw/zinc/66/33/53/912663353.db2.gz DZAMUMSSERNSHE-XLIONFOSSA-N 0 0 411.502 4.027 20 5 HIBDRN CN(Cc1ncc[nH]1)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000467515626 881331525 /nfs/dbraw/zinc/33/15/25/881331525.db2.gz YLINEVNAHDNCGK-UHFFFAOYSA-N 0 0 402.863 4.395 20 5 HIBDRN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000469108910 883201098 /nfs/dbraw/zinc/20/10/98/883201098.db2.gz RZKGBEZUKFKPDC-INIZCTEOSA-N 0 0 402.756 4.389 20 5 HIBDRN CC(C)CO[C@@H]1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000469203982 883302650 /nfs/dbraw/zinc/30/26/50/883302650.db2.gz ONZBHTHCOFEZIW-SJLPKXTDSA-N 0 0 412.490 4.050 20 5 HIBDRN O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000469241805 883339490 /nfs/dbraw/zinc/33/94/90/883339490.db2.gz RAZVJUPHGPMMPY-CQSZACIVSA-N 0 0 418.291 4.004 20 5 HIBDRN Nc1c(C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cccc1[N+](=O)[O-] ZINC000469297400 883394663 /nfs/dbraw/zinc/39/46/63/883394663.db2.gz DMJBPGISSBJARE-AWEZNQCLSA-N 0 0 408.227 4.056 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)cc1OC ZINC000469310366 883410597 /nfs/dbraw/zinc/41/05/97/883410597.db2.gz UMXFLWYAYWRDIM-NSHDSACASA-N 0 0 406.385 4.040 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@H](Oc2ccncc2)C1 ZINC000469430360 883614117 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O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000470134275 884398649 /nfs/dbraw/zinc/39/86/49/884398649.db2.gz CSAFCDJRYOPPKU-LLVKDONJSA-N 0 0 402.357 4.426 20 5 HIBDRN CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000470149891 884418057 /nfs/dbraw/zinc/41/80/57/884418057.db2.gz UZLAMYQFCXUYAA-OAHLLOKOSA-N 0 0 424.226 4.484 20 5 HIBDRN C[C@@H](Cc1ccccc1Br)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000470163481 884439466 /nfs/dbraw/zinc/43/94/66/884439466.db2.gz MMXWYLQGQRMHOQ-LBPRGKRZSA-N 0 0 409.305 4.197 20 5 HIBDRN CC1(C)CCC[C@@]1(O)CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000503801280 912827455 /nfs/dbraw/zinc/82/74/55/912827455.db2.gz SNBRLBAAEAAVHZ-OAQYLSRUSA-N 0 0 400.500 4.417 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1F ZINC000470195872 884503238 /nfs/dbraw/zinc/50/32/38/884503238.db2.gz WHJIYTGAHJLLCB-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000470244124 884575292 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C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCOCc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000470631908 885056996 /nfs/dbraw/zinc/05/69/96/885056996.db2.gz JVYVSLCNVTZLFD-CALCHBBNSA-N 0 0 409.486 4.254 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCOCc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 ZINC000470633936 885060673 /nfs/dbraw/zinc/06/06/73/885060673.db2.gz PKWXCIMQPOYTJM-INIZCTEOSA-N 0 0 418.453 4.340 20 5 HIBDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000470653797 885074575 /nfs/dbraw/zinc/07/45/75/885074575.db2.gz KVIYRGLOVJGLFS-UHFFFAOYSA-N 0 0 413.299 4.361 20 5 HIBDRN O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000470663200 885087927 /nfs/dbraw/zinc/08/79/27/885087927.db2.gz OCHHPTHWTIUACY-AZUAARDMSA-N 0 0 405.458 4.449 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](OCc3ccccc3F)C2)c1 ZINC000470687724 885122072 /nfs/dbraw/zinc/12/20/72/885122072.db2.gz BCQVCRBVGXUPNF-HNNXBMFYSA-N 0 0 404.463 4.277 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(=O)[nH]c2ccc(Br)cc21 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CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000470845423 885341299 /nfs/dbraw/zinc/34/12/99/885341299.db2.gz TVRFTXIIHZVKQB-SFHVURJKSA-N 0 0 419.275 4.098 20 5 HIBDRN Cc1cc(NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000470865120 885353359 /nfs/dbraw/zinc/35/33/59/885353359.db2.gz QLCHJDRYMAVZOH-GOSISDBHSA-N 0 0 404.898 4.216 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@@H]2Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 ZINC000470878026 885366920 /nfs/dbraw/zinc/36/69/20/885366920.db2.gz SAUCNYANTABVHN-UGKGYDQZSA-N 0 0 420.469 4.200 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1 ZINC000470878025 885367244 /nfs/dbraw/zinc/36/72/44/885367244.db2.gz SAUCNYANTABVHN-SIKLNZKXSA-N 0 0 420.469 4.200 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000470931697 885436795 /nfs/dbraw/zinc/43/67/95/885436795.db2.gz LNIVOFAZJXALQL-ACJLOTCBSA-N 0 0 404.850 4.249 20 5 HIBDRN COc1cc(F)c(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1OC ZINC000470953946 885453062 /nfs/dbraw/zinc/45/30/62/885453062.db2.gz UUTRWQZNFBGSEL-UHFFFAOYSA-N 0 0 424.384 4.234 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000470963099 885461244 /nfs/dbraw/zinc/46/12/44/885461244.db2.gz YWADXJGIMJXQRY-HXUWFJFHSA-N 0 0 406.442 4.118 20 5 HIBDRN Cc1ccnc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n1 ZINC000470987552 885488591 /nfs/dbraw/zinc/48/85/91/885488591.db2.gz VEOSPGMCOTWFFF-UHFFFAOYSA-N 0 0 416.796 4.208 20 5 HIBDRN O=C(CSCC(=O)N1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000471031243 885539719 /nfs/dbraw/zinc/53/97/19/885539719.db2.gz GPICNIPOCDCIDH-UHFFFAOYSA-N 0 0 404.875 4.144 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000471045967 885556873 /nfs/dbraw/zinc/55/68/73/885556873.db2.gz AGTSWWNLNVNKMQ-AWEZNQCLSA-N 0 0 415.515 4.349 20 5 HIBDRN Cc1ccc([C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000471074576 885596116 /nfs/dbraw/zinc/59/61/16/885596116.db2.gz MFAQDOLGAYBDBT-OAQYLSRUSA-N 0 0 410.861 4.269 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000471096211 885626244 /nfs/dbraw/zinc/62/62/44/885626244.db2.gz SOZYXMSYLROSAD-GFCCVEGCSA-N 0 0 412.311 4.008 20 5 HIBDRN Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)sc21 ZINC000471141447 885685145 /nfs/dbraw/zinc/68/51/45/885685145.db2.gz VRQNJBBOTHTOTN-UHFFFAOYSA-N 0 0 403.370 4.281 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000471140797 885685422 /nfs/dbraw/zinc/68/54/22/885685422.db2.gz UPSAKBYAAWIXMO-CYBMUJFWSA-N 0 0 424.284 4.309 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000471147631 885692944 /nfs/dbraw/zinc/69/29/44/885692944.db2.gz MDSKVYUZSDPLQQ-ZDUSSCGKSA-N 0 0 423.391 4.021 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000471178972 885742364 /nfs/dbraw/zinc/74/23/64/885742364.db2.gz UQMKRHXMKWMGEA-RXVVDRJESA-N 0 0 419.485 4.186 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000471178970 885743177 /nfs/dbraw/zinc/74/31/77/885743177.db2.gz UQMKRHXMKWMGEA-GHTZIAJQSA-N 0 0 419.485 4.186 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCC2(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000471270576 885848570 /nfs/dbraw/zinc/84/85/70/885848570.db2.gz QTGYKBLYQIMIAK-UHFFFAOYSA-N 0 0 420.437 4.323 20 5 HIBDRN COCCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000471303709 885893288 /nfs/dbraw/zinc/89/32/88/885893288.db2.gz JHGSTIXVZJFGOA-INIZCTEOSA-N 0 0 410.392 4.381 20 5 HIBDRN COCCCC[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000471328724 885923941 /nfs/dbraw/zinc/92/39/41/885923941.db2.gz FPAYSBOKRXLHSL-HXUWFJFHSA-N 0 0 408.458 4.068 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(NC(=O)c3cccnc3)c(OC)c2)cc1[N+](=O)[O-] ZINC000471335975 885938831 /nfs/dbraw/zinc/93/88/31/885938831.db2.gz LOGPAZGKKCGVDE-UHFFFAOYSA-N 0 0 420.425 4.065 20 5 HIBDRN COCCCC[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000471341030 885947649 /nfs/dbraw/zinc/94/76/49/885947649.db2.gz LKXQOFUEWJNUSA-IBGZPJMESA-N 0 0 408.458 4.068 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccncc1C ZINC000471356527 885977211 /nfs/dbraw/zinc/97/72/11/885977211.db2.gz JDXCGOWEYCVJQG-UHFFFAOYSA-N 0 0 411.439 4.456 20 5 HIBDRN CC(C)(C)OC(=O)CCc1cccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000471357516 885979246 /nfs/dbraw/zinc/97/92/46/885979246.db2.gz ICCMUIFZMUBIAQ-UHFFFAOYSA-N 0 0 413.474 4.233 20 5 HIBDRN Cc1nnc(-c2cc(F)ccc2NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)o1 ZINC000471388718 886038075 /nfs/dbraw/zinc/03/80/75/886038075.db2.gz FIIHLALKPLQOPP-SNVBAGLBSA-N 0 0 402.407 4.212 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccccn2)s1 ZINC000504092433 913001849 /nfs/dbraw/zinc/00/18/49/913001849.db2.gz NNBMZRJGDUQGMC-UHFFFAOYSA-N 0 0 401.473 4.263 20 5 HIBDRN CC(C)CCc1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000471411456 886065164 /nfs/dbraw/zinc/06/51/64/886065164.db2.gz BIMXTWRISNCDGJ-UHFFFAOYSA-N 0 0 400.357 4.100 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000471436936 886095289 /nfs/dbraw/zinc/09/52/89/886095289.db2.gz NYRPLCXBSRLZSY-UHFFFAOYSA-N 0 0 406.442 4.394 20 5 HIBDRN COc1cccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2OC)c1 ZINC000471453215 886127669 /nfs/dbraw/zinc/12/76/69/886127669.db2.gz RLAXBGYZWPTVDZ-NRFANRHFSA-N 0 0 410.401 4.271 20 5 HIBDRN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000471455675 886131872 /nfs/dbraw/zinc/13/18/72/886131872.db2.gz RVPHTVMIJYUUFQ-NQIIRXRSSA-N 0 0 407.514 4.291 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)NCc3ccc4ncccc4c3)cc2[N+](=O)[O-])C1 ZINC000471501725 886204064 /nfs/dbraw/zinc/20/40/64/886204064.db2.gz WCSIFZFTALJUDN-INIZCTEOSA-N 0 0 404.470 4.309 20 5 HIBDRN COc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc(-n2cccn2)c1 ZINC000471516817 886219827 /nfs/dbraw/zinc/21/98/27/886219827.db2.gz STYIYOXTHLXLNG-UHFFFAOYSA-N 0 0 418.862 4.173 20 5 HIBDRN COc1ccccc1[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)OC(C)C ZINC000471573423 886283817 /nfs/dbraw/zinc/28/38/17/886283817.db2.gz IEBRUFOYJKLJNE-IBGZPJMESA-N 0 0 406.866 4.082 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)OC(C)C ZINC000471573332 886284266 /nfs/dbraw/zinc/28/42/66/886284266.db2.gz XQQHFZWELASOSF-LJQANCHMSA-N 0 0 400.475 4.425 20 5 HIBDRN O=C(NCCCc1ccc(Cl)cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000471594805 886308372 /nfs/dbraw/zinc/30/83/72/886308372.db2.gz FNFZRCGYPKYMQY-UHFFFAOYSA-N 0 0 411.241 4.035 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)Oc1ccccc1 ZINC000504127365 913032024 /nfs/dbraw/zinc/03/20/24/913032024.db2.gz GCLXNSBIAMOSIF-IRXDYDNUSA-N 0 0 420.469 4.360 20 5 HIBDRN COC(=O)C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000471701849 886407932 /nfs/dbraw/zinc/40/79/32/886407932.db2.gz RQANWYWPXMUBMP-FQEVSTJZSA-N 0 0 404.422 4.296 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCOc2cccc(C(C)(C)C)c2)cc1SC ZINC000504172031 913058323 /nfs/dbraw/zinc/05/83/23/913058323.db2.gz ADTGIRSCCIBJNH-UHFFFAOYSA-N 0 0 418.515 4.432 20 5 HIBDRN CCOc1ccccc1[C@H](CC)NC(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000471867167 886644991 /nfs/dbraw/zinc/64/49/91/886644991.db2.gz ACRLHHIHUSPVBR-KRWDZBQOSA-N 0 0 409.442 4.188 20 5 HIBDRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000471890831 886671681 /nfs/dbraw/zinc/67/16/81/886671681.db2.gz SNVVQPRIYSIAOJ-UHFFFAOYSA-N 0 0 420.252 4.487 20 5 HIBDRN CC(=O)Nc1cc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc(C(F)(F)F)c1 ZINC000471897771 886679346 /nfs/dbraw/zinc/67/93/46/886679346.db2.gz JEXINKIDCSEKEZ-UHFFFAOYSA-N 0 0 418.331 4.373 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCCC3=O)cc2[N+](=O)[O-])CC1 ZINC000471904180 886686726 /nfs/dbraw/zinc/68/67/26/886686726.db2.gz ALNPSCMBOKTZRJ-RTBURBONSA-N 0 0 413.518 4.195 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471928896 886720550 /nfs/dbraw/zinc/72/05/50/886720550.db2.gz SLLVPSWMHBEUOZ-QZTJIDSGSA-N 0 0 406.845 4.263 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC000472025718 886848207 /nfs/dbraw/zinc/84/82/07/886848207.db2.gz CDVRKKMWKWWFAC-CYBMUJFWSA-N 0 0 412.833 4.136 20 5 HIBDRN O=C(NCc1cc(Br)ccc1F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000504229439 913100919 /nfs/dbraw/zinc/10/09/19/913100919.db2.gz XBSQFZVGXBEFDS-UHFFFAOYSA-N 0 0 402.607 4.472 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000472255189 887064629 /nfs/dbraw/zinc/06/46/29/887064629.db2.gz HEBSVKAABVVAQX-QGZVFWFLSA-N 0 0 410.417 4.473 20 5 HIBDRN O=C(Nc1ccnn1-c1cccc(F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000472290071 887111172 /nfs/dbraw/zinc/11/11/72/887111172.db2.gz AQHHAUPGNJPTDS-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN Cc1cc(-c2noc([C@@H](C)NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC000472375015 887214602 /nfs/dbraw/zinc/21/46/02/887214602.db2.gz RPLQYLPGLSIOQH-CYBMUJFWSA-N 0 0 412.421 4.247 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ncc(C(C)(C)C)o3)cc2[N+](=O)[O-])C1 ZINC000472394370 887240652 /nfs/dbraw/zinc/24/06/52/887240652.db2.gz BHZHHOMWRIKZSA-GASCZTMLSA-N 0 0 414.506 4.293 20 5 HIBDRN COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])cc1Br)OC(C)C ZINC000472456648 887310803 /nfs/dbraw/zinc/31/08/03/887310803.db2.gz SBDZHYDRSKFJCH-INIZCTEOSA-N 0 0 410.268 4.339 20 5 HIBDRN COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)OC(C)C ZINC000472456649 887311730 /nfs/dbraw/zinc/31/17/30/887311730.db2.gz SBDZHYDRSKFJCH-MRXNPFEDSA-N 0 0 410.268 4.339 20 5 HIBDRN Cc1ccc(-c2noc([C@H](C)NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)cc1F ZINC000472542182 887420128 /nfs/dbraw/zinc/42/01/28/887420128.db2.gz PWEOVPLOIBARGV-NSHDSACASA-N 0 0 410.361 4.330 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1F ZINC000472545582 887425681 /nfs/dbraw/zinc/42/56/81/887425681.db2.gz VVXDVMOUWYFTPQ-SNVBAGLBSA-N 0 0 404.785 4.237 20 5 HIBDRN COc1ccc(CSCC(=O)N2CCCc3c(F)ccc(F)c32)cc1[N+](=O)[O-] ZINC000472548803 887429425 /nfs/dbraw/zinc/42/94/25/887429425.db2.gz OQQGSDGTHZHAFC-UHFFFAOYSA-N 0 0 408.426 4.094 20 5 HIBDRN Cc1nc2cc(C(=O)NCCc3cccc([N+](=O)[O-])c3)ccc2n1Cc1ccsc1 ZINC000472563536 887450932 /nfs/dbraw/zinc/45/09/32/887450932.db2.gz VIZRHLGNEJZFTA-UHFFFAOYSA-N 0 0 420.494 4.335 20 5 HIBDRN O=C(CN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000472609587 887480121 /nfs/dbraw/zinc/48/01/21/887480121.db2.gz CCCIGOJSQFVDFG-FQEVSTJZSA-N 0 0 405.458 4.151 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)c2ccccc21 ZINC000472694124 887548587 /nfs/dbraw/zinc/54/85/87/887548587.db2.gz STMYPRAGZLDCFA-LLVKDONJSA-N 0 0 415.808 4.356 20 5 HIBDRN O=C(CSc1ncccc1[N+](=O)[O-])Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000504306731 913156840 /nfs/dbraw/zinc/15/68/40/913156840.db2.gz KHHDQVMCDLROFU-UHFFFAOYSA-N 0 0 414.468 4.034 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1OCCC(C)C ZINC000472711873 887560726 /nfs/dbraw/zinc/56/07/26/887560726.db2.gz FKNQMHYHPYLQDH-UHFFFAOYSA-N 0 0 403.410 4.044 20 5 HIBDRN Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472740354 887585653 /nfs/dbraw/zinc/58/56/53/887585653.db2.gz XMAGZPJPQYCQKS-UHFFFAOYSA-N 0 0 423.400 4.199 20 5 HIBDRN CC1(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)CC1 ZINC000472794439 887639694 /nfs/dbraw/zinc/63/96/94/887639694.db2.gz ZLVFXMFSFYITFS-UHFFFAOYSA-N 0 0 405.501 4.052 20 5 HIBDRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)nn1CCCOc1ccc(F)cc1 ZINC000504325205 913168743 /nfs/dbraw/zinc/16/87/43/913168743.db2.gz PYDZSQQCMBMBTF-UHFFFAOYSA-N 0 0 416.384 4.099 20 5 HIBDRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000504328998 913172249 /nfs/dbraw/zinc/17/22/49/913172249.db2.gz MYLFBRGWTJFQRN-QWRGUYRKSA-N 0 0 423.238 4.242 20 5 HIBDRN Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000472948789 887797536 /nfs/dbraw/zinc/79/75/36/887797536.db2.gz HEOYTSSOJAKSCZ-CQSZACIVSA-N 0 0 417.425 4.215 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(CN3CCSC[C@@H]3c3nccs3)cs2)c1 ZINC000473076078 887893344 /nfs/dbraw/zinc/89/33/44/887893344.db2.gz HXYBNYLOPCAXHX-OAHLLOKOSA-N 0 0 404.542 4.465 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H](C)c3cncs3)cc2[N+](=O)[O-])n1 ZINC000473191926 887970030 /nfs/dbraw/zinc/97/00/30/887970030.db2.gz YVHAEOCJJLLOMS-JTQLQIEISA-N 0 0 406.514 4.458 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000473236720 888007274 /nfs/dbraw/zinc/00/72/74/888007274.db2.gz CIICXLNUCPUNKG-UHFFFAOYSA-N 0 0 410.327 4.302 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000473342549 888074674 /nfs/dbraw/zinc/07/46/74/888074674.db2.gz FYBJLIWAXLGMGU-UHFFFAOYSA-N 0 0 420.141 4.090 20 5 HIBDRN CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000473355901 888081310 /nfs/dbraw/zinc/08/13/10/888081310.db2.gz OFSUKGKDRURWKM-UHFFFAOYSA-N 0 0 415.450 4.169 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000504389822 913214138 /nfs/dbraw/zinc/21/41/38/913214138.db2.gz ZMNKVYQLUKYINW-CQSZACIVSA-N 0 0 422.510 4.399 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000504393425 913215344 /nfs/dbraw/zinc/21/53/44/913215344.db2.gz FSHQWYBHCINZIS-SSKCKEOISA-N 0 0 401.260 4.439 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)NCCOCc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000473494392 888216383 /nfs/dbraw/zinc/21/63/83/888216383.db2.gz HOPNYXYIRNWEHH-KRWDZBQOSA-N 0 0 420.469 4.110 20 5 HIBDRN CNC(=O)c1cc(Oc2cccc(Oc3nc4ccccc4cc3[N+](=O)[O-])c2)ccn1 ZINC000473505191 888232754 /nfs/dbraw/zinc/23/27/54/888232754.db2.gz ADGXKFDSHDEURT-UHFFFAOYSA-N 0 0 416.393 4.482 20 5 HIBDRN O=C(Nc1ccc(F)cc1)NC1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473512457 888242319 /nfs/dbraw/zinc/24/23/19/888242319.db2.gz IJYSZROQLNYAAJ-UHFFFAOYSA-N 0 0 409.421 4.073 20 5 HIBDRN O=C(NC[C@@H]1CCCCN1c1nc2ccccc2cc1[N+](=O)[O-])Nc1ccccc1 ZINC000473519096 888252355 /nfs/dbraw/zinc/25/23/55/888252355.db2.gz ACUVPWOIYGAYBS-SFHVURJKSA-N 0 0 405.458 4.324 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N[C@@H](CCO)c1ccccc1Br ZINC000473522670 888258772 /nfs/dbraw/zinc/25/87/72/888258772.db2.gz TVKLPRHLYKRSNT-INIZCTEOSA-N 0 0 402.248 4.441 20 5 HIBDRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473524593 888260088 /nfs/dbraw/zinc/26/00/88/888260088.db2.gz UZLZMLPSNKNRQU-OAHLLOKOSA-N 0 0 424.423 4.160 20 5 HIBDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000473528133 888264736 /nfs/dbraw/zinc/26/47/36/888264736.db2.gz HGNWJYWMBUDBQE-VXKZXEGRSA-N 0 0 406.529 4.032 20 5 HIBDRN Cc1ccc(CNC(=O)C2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)cc1F ZINC000473527185 888265616 /nfs/dbraw/zinc/26/56/16/888265616.db2.gz ZOFFOCDSRVDYHA-UHFFFAOYSA-N 0 0 422.460 4.123 20 5 HIBDRN Cc1cc(NCc2cccc(C(=O)NC3CC3)c2)c(Br)cc1[N+](=O)[O-] ZINC000473527191 888265899 /nfs/dbraw/zinc/26/58/99/888265899.db2.gz ZQZMPVLZZHVWNN-UHFFFAOYSA-N 0 0 404.264 4.170 20 5 HIBDRN CC[C@@H](O)CCCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000473534312 888271734 /nfs/dbraw/zinc/27/17/34/888271734.db2.gz QWTREDQSMODYMX-MRXNPFEDSA-N 0 0 405.882 4.141 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N[C@H](c3cnn(C)c3)C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000473576080 888317914 /nfs/dbraw/zinc/31/79/14/888317914.db2.gz TYVDSYDOEAANEX-FOIQADDNSA-N 0 0 413.522 4.082 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC2(CCO)CCCC2)cc1 ZINC000473576900 888318138 /nfs/dbraw/zinc/31/81/38/888318138.db2.gz XDARJXSRMWGVRR-UHFFFAOYSA-N 0 0 414.458 4.068 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N[C@@H](c3cnn(C)c3)C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000473576083 888318147 /nfs/dbraw/zinc/31/81/47/888318147.db2.gz TYVDSYDOEAANEX-YWZLYKJASA-N 0 0 413.522 4.082 20 5 HIBDRN C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000473607140 888348999 /nfs/dbraw/zinc/34/89/99/888348999.db2.gz SMZSPDNRXOHICR-OAQYLSRUSA-N 0 0 417.893 4.237 20 5 HIBDRN COc1ccc(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(Cl)c1 ZINC000473725609 888502841 /nfs/dbraw/zinc/50/28/41/888502841.db2.gz ZERBCXXUKVKGOU-UHFFFAOYSA-N 0 0 405.882 4.420 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccc(SC)cc1 ZINC000473783277 888591356 /nfs/dbraw/zinc/59/13/56/888591356.db2.gz KFHROOILWHPGOY-INIZCTEOSA-N 0 0 403.460 4.051 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(OC(F)F)c1 ZINC000473798280 888618396 /nfs/dbraw/zinc/61/83/96/888618396.db2.gz DHENMMXIQLTXSL-UHFFFAOYSA-N 0 0 408.357 4.359 20 5 HIBDRN COc1ccc(-c2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)nc2)cc1Cl ZINC000473837236 888676686 /nfs/dbraw/zinc/67/66/86/888676686.db2.gz PUZQQYILEQFLIC-UHFFFAOYSA-N 0 0 423.816 4.447 20 5 HIBDRN CCOC(=O)c1sc([C@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)nc1C ZINC000473866160 888722022 /nfs/dbraw/zinc/72/20/22/888722022.db2.gz BHEJILATNSYYTM-LBPRGKRZSA-N 0 0 405.476 4.151 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1noc(Cc2ccccc2)n1 ZINC000473907677 888783038 /nfs/dbraw/zinc/78/30/38/888783038.db2.gz BELFSMMAXIYUFB-CQSZACIVSA-N 0 0 408.458 4.357 20 5 HIBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H](OCc2ccccn2)C1 ZINC000473985790 888847943 /nfs/dbraw/zinc/84/79/43/888847943.db2.gz WYAKFNYSXCDPCH-HXUWFJFHSA-N 0 0 418.453 4.165 20 5 HIBDRN O=C1[C@H](NCc2csc([N+](=O)[O-])c2)CCCN1c1ccc(Cl)cc1Cl ZINC000474008257 888866143 /nfs/dbraw/zinc/86/61/43/888866143.db2.gz HZONIYFSZNBSJA-CYBMUJFWSA-N 0 0 400.287 4.248 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1CSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC000504518384 913302699 /nfs/dbraw/zinc/30/26/99/913302699.db2.gz KUZHRSHVXDAOGE-UHFFFAOYSA-N 0 0 411.418 4.321 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000474160732 888997855 /nfs/dbraw/zinc/99/78/55/888997855.db2.gz SHNVRAUYLXNITA-HNNXBMFYSA-N 0 0 405.458 4.317 20 5 HIBDRN CCO[C@@H](CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)C1CCCC1 ZINC000474178408 889016735 /nfs/dbraw/zinc/01/67/35/889016735.db2.gz PNQHFTHNCKYBQU-SFHVURJKSA-N 0 0 420.897 4.191 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474192999 889030038 /nfs/dbraw/zinc/03/00/38/889030038.db2.gz AOVLTOOAVNMLII-QWHCGFSZSA-N 0 0 412.895 4.070 20 5 HIBDRN Cc1cc(Br)cc2c(C(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)coc21 ZINC000474203417 889040756 /nfs/dbraw/zinc/04/07/56/889040756.db2.gz ICOYRLQOCATAMR-UHFFFAOYSA-N 0 0 416.231 4.005 20 5 HIBDRN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)NCC1(c2ccccc2)CCCC1 ZINC000504525957 913307153 /nfs/dbraw/zinc/30/71/53/913307153.db2.gz BWDROLPVAKQUMI-UHFFFAOYSA-N 0 0 404.470 4.087 20 5 HIBDRN CC(C)c1ccc(C(=O)NCc2ccc(COC3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000474251699 889104800 /nfs/dbraw/zinc/10/48/00/889104800.db2.gz WZUITWFOOKKKMV-UHFFFAOYSA-N 0 0 412.486 4.344 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)cc1OC ZINC000474275354 889140297 /nfs/dbraw/zinc/14/02/97/889140297.db2.gz PFJNNVYMYIOWTO-CVEARBPZSA-N 0 0 422.522 4.353 20 5 HIBDRN COc1ccc(C(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1Br ZINC000504538496 913317128 /nfs/dbraw/zinc/31/71/28/913317128.db2.gz KPKUNXVRSQFTNR-UHFFFAOYSA-N 0 0 416.231 4.112 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1C ZINC000474309100 889175193 /nfs/dbraw/zinc/17/51/93/889175193.db2.gz DUHCHUDKSGACIH-MRXNPFEDSA-N 0 0 415.471 4.269 20 5 HIBDRN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000504539276 913318421 /nfs/dbraw/zinc/31/84/21/913318421.db2.gz PXCPHAHGFKAEJN-UHFFFAOYSA-N 0 0 420.425 4.139 20 5 HIBDRN COC(=O)COc1ccc(CNc2ccc(-c3cnc(C4CC4)o3)cc2)cc1[N+](=O)[O-] ZINC000474353644 889230528 /nfs/dbraw/zinc/23/05/28/889230528.db2.gz UYZFLZASNBVVTG-UHFFFAOYSA-N 0 0 423.425 4.291 20 5 HIBDRN CCOc1ccc(NC(=O)CNc2ccccc2N(C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000474430951 889295613 /nfs/dbraw/zinc/29/56/13/889295613.db2.gz XSTHNXHLCIYLKM-UHFFFAOYSA-N 0 0 412.490 4.423 20 5 HIBDRN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)N[C@@H](c1cccs1)c1ccccc1 ZINC000504570637 913338940 /nfs/dbraw/zinc/33/89/40/913338940.db2.gz MHWMAOMGNCGFJC-JOCHJYFZSA-N 0 0 418.478 4.426 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474737722 889593339 /nfs/dbraw/zinc/59/33/39/889593339.db2.gz DWNGPTZUUXBVIG-LSDHHAIUSA-N 0 0 417.893 4.019 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 ZINC000504616085 913370876 /nfs/dbraw/zinc/37/08/76/913370876.db2.gz XAYAEUIEWIPTJJ-HNNXBMFYSA-N 0 0 422.304 4.370 20 5 HIBDRN COC(=O)c1cc(NCc2ccc(COCC(F)(F)F)cc2)cc(C)c1[N+](=O)[O-] ZINC000474782044 889640491 /nfs/dbraw/zinc/64/04/91/889640491.db2.gz WOSRKZWPJMRMKW-UHFFFAOYSA-N 0 0 412.364 4.381 20 5 HIBDRN CCc1noc(COc2ccc(Oc3ncc(Br)cc3[N+](=O)[O-])cc2)n1 ZINC000474791612 889647003 /nfs/dbraw/zinc/64/70/03/889647003.db2.gz SVAWGLXNJCNDND-UHFFFAOYSA-N 0 0 421.207 4.069 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000474826876 889681042 /nfs/dbraw/zinc/68/10/42/889681042.db2.gz YHILDUSYJPKQIW-UHFFFAOYSA-N 0 0 414.458 4.158 20 5 HIBDRN COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000474834898 889693547 /nfs/dbraw/zinc/69/35/47/889693547.db2.gz KIWUDPZGWNWJTR-OAHLLOKOSA-N 0 0 411.380 4.335 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cc1[N+](=O)[O-] ZINC000474879694 889735333 /nfs/dbraw/zinc/73/53/33/889735333.db2.gz NCYRVTYDOZOZKE-AWEZNQCLSA-N 0 0 423.477 4.059 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000474892015 889750532 /nfs/dbraw/zinc/75/05/32/889750532.db2.gz HFSUTDPFASIYLP-KKUMJFAQSA-N 0 0 417.893 4.017 20 5 HIBDRN COc1ccc(NC(=O)N[C@H]2CCOc3c(Br)cccc32)cc1[N+](=O)[O-] ZINC000504656193 913397586 /nfs/dbraw/zinc/39/75/86/913397586.db2.gz WELQOSQUMRGXKN-ZDUSSCGKSA-N 0 0 422.235 4.011 20 5 HIBDRN Cc1ccc(-n2cccn2)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000475093429 889940845 /nfs/dbraw/zinc/94/08/45/889940845.db2.gz UCIKMNORGUUERR-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Br)c(F)cc2C)cc([N+](=O)[O-])c1OC ZINC000475097612 889944471 /nfs/dbraw/zinc/94/44/71/889944471.db2.gz VFUZVDPUSHAKDU-UHFFFAOYSA-N 0 0 413.199 4.074 20 5 HIBDRN COc1c(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000475113887 889965756 /nfs/dbraw/zinc/96/57/56/889965756.db2.gz VHJRFIDEPHXQQA-LBPRGKRZSA-N 0 0 407.264 4.117 20 5 HIBDRN O=C1CCC[C@@H]1[C@H]1COCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000475121767 889979842 /nfs/dbraw/zinc/97/98/42/889979842.db2.gz SFVVVWJLMHJJHF-UYAOXDASSA-N 0 0 414.433 4.096 20 5 HIBDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000475207362 890076941 /nfs/dbraw/zinc/07/69/41/890076941.db2.gz ABGQYMNBVIKWTN-HYDGNGQDSA-N 0 0 417.531 4.058 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000475207919 890077394 /nfs/dbraw/zinc/07/73/94/890077394.db2.gz XRPUGCIZAWBPJU-IBGZPJMESA-N 0 0 404.426 4.445 20 5 HIBDRN CCc1nc(CCNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)sc1C ZINC000475213206 890082410 /nfs/dbraw/zinc/08/24/10/890082410.db2.gz WQMBJGOVPGELSP-UHFFFAOYSA-N 0 0 402.398 4.305 20 5 HIBDRN CO[C@@H](C)c1nc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cs1 ZINC000475213629 890083949 /nfs/dbraw/zinc/08/39/49/890083949.db2.gz GXLJPGCQAOJMHR-QMMMGPOBSA-N 0 0 404.370 4.099 20 5 HIBDRN C[C@H]1[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCN1c1ccccc1 ZINC000475262226 890154807 /nfs/dbraw/zinc/15/48/07/890154807.db2.gz ZGMPYSICTWFIQS-MAUKXSAKSA-N 0 0 421.419 4.401 20 5 HIBDRN C[C@@H]1OCC[C@@]12CN(Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CCO2 ZINC000475296456 890204610 /nfs/dbraw/zinc/20/46/10/890204610.db2.gz VBWPJUHSKOTKFO-YCRPNKLZSA-N 0 0 418.877 4.420 20 5 HIBDRN COc1cccc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1[N+](=O)[O-] ZINC000475347217 890270148 /nfs/dbraw/zinc/27/01/48/890270148.db2.gz GPBYDINJAOCOGG-UHFFFAOYSA-N 0 0 410.499 4.049 20 5 HIBDRN CCOc1cc(NC(=O)CCc2nc(C3CCCC3)no2)c([N+](=O)[O-])cc1OCC ZINC000475434785 890354415 /nfs/dbraw/zinc/35/44/15/890354415.db2.gz PFSQUTKSTLUJRT-UHFFFAOYSA-N 0 0 418.450 4.004 20 5 HIBDRN CCOc1cc(NC(=O)[C@@H]2CCN(c3ccccc3)[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000475472277 890380316 /nfs/dbraw/zinc/38/03/16/890380316.db2.gz UZJWAYYNFITKND-NVXWUHKLSA-N 0 0 413.474 4.246 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000475498719 890408207 /nfs/dbraw/zinc/40/82/07/890408207.db2.gz YXOHSCMUBOHKFY-UHFFFAOYSA-N 0 0 423.513 4.143 20 5 HIBDRN COc1c(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] ZINC000475529220 890453746 /nfs/dbraw/zinc/45/37/46/890453746.db2.gz RGKQIJCBJFIVQG-UHFFFAOYSA-N 0 0 421.240 4.407 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000475548117 890472028 /nfs/dbraw/zinc/47/20/28/890472028.db2.gz AQCXQMFPJRZAGW-CQSZACIVSA-N 0 0 420.416 4.213 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000475560159 890488702 /nfs/dbraw/zinc/48/87/02/890488702.db2.gz HDNBHBFBFFXEIS-GOSISDBHSA-N 0 0 421.400 4.418 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H](CO)c1cccc(Br)c1 ZINC000475574344 890505014 /nfs/dbraw/zinc/50/50/14/890505014.db2.gz WJLZIJZIMZOZMC-KRWDZBQOSA-N 0 0 422.279 4.171 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000475577291 890508171 /nfs/dbraw/zinc/50/81/71/890508171.db2.gz XQAPCZWZAUHPRA-UHFFFAOYSA-N 0 0 422.485 4.045 20 5 HIBDRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)ccc2NC1=O ZINC000475635581 890575941 /nfs/dbraw/zinc/57/59/41/890575941.db2.gz CAIMMSWDLIJQTB-ACJLOTCBSA-N 0 0 412.446 4.204 20 5 HIBDRN CC[C@H](NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000475639626 890581142 /nfs/dbraw/zinc/58/11/42/890581142.db2.gz FUCBMLROQVNBKX-RXVVDRJESA-N 0 0 422.489 4.301 20 5 HIBDRN COc1c(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cccc1[N+](=O)[O-] ZINC000475640606 890582894 /nfs/dbraw/zinc/58/28/94/890582894.db2.gz PTWRBVHVKQOSFI-UHFFFAOYSA-N 0 0 418.409 4.082 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000475643436 890585377 /nfs/dbraw/zinc/58/53/77/890585377.db2.gz XCXFVWFZSCKHBE-UHFFFAOYSA-N 0 0 422.445 4.068 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000475645784 890588581 /nfs/dbraw/zinc/58/85/81/890588581.db2.gz OUQJTHXFBZVOMH-LPHOPBHVSA-N 0 0 402.882 4.432 20 5 HIBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000475654468 890599340 /nfs/dbraw/zinc/59/93/40/890599340.db2.gz VNMZWOSRFZINNR-WCQYABFASA-N 0 0 406.426 4.282 20 5 HIBDRN COc1ccc(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)cc1[N+](=O)[O-] ZINC000475772356 890716973 /nfs/dbraw/zinc/71/69/73/890716973.db2.gz ZIOXPFMOBCLLKV-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN O=C(Nc1cc(-c2ccccc2)ns1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000475791780 890731191 /nfs/dbraw/zinc/73/11/91/890731191.db2.gz BMVOGMNFANLKJK-UHFFFAOYSA-N 0 0 409.471 4.072 20 5 HIBDRN C[C@@H](c1cnn(C)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000475822055 890756846 /nfs/dbraw/zinc/75/68/46/890756846.db2.gz RDPVJZUYLPXOCG-AWEZNQCLSA-N 0 0 402.520 4.444 20 5 HIBDRN Cc1nc([C@H]2CCCN2C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cs1 ZINC000475861677 890799288 /nfs/dbraw/zinc/79/92/88/890799288.db2.gz JVRQSTFIXTYZHR-CQSZACIVSA-N 0 0 410.293 4.408 20 5 HIBDRN O=C(Cc1ccc(Br)cc1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000475862588 890799572 /nfs/dbraw/zinc/79/95/72/890799572.db2.gz AFZADQOGLADOBR-UHFFFAOYSA-N 0 0 408.639 4.172 20 5 HIBDRN O=C(N1CCCc2c([N+](=O)[O-])cccc21)C1(c2ccccc2Br)CC1 ZINC000475920073 890846741 /nfs/dbraw/zinc/84/67/41/890846741.db2.gz OLFBVSXGSWNDCA-UHFFFAOYSA-N 0 0 401.260 4.368 20 5 HIBDRN O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1csc([N+](=O)[O-])c1 ZINC000504770773 913504280 /nfs/dbraw/zinc/50/42/80/913504280.db2.gz XUZJIBGUMIGARZ-UHFFFAOYSA-N 0 0 418.478 4.498 20 5 HIBDRN O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476129375 891052102 /nfs/dbraw/zinc/05/21/02/891052102.db2.gz BPBYJZBVMAVJOG-UHFFFAOYSA-N 0 0 411.364 4.259 20 5 HIBDRN O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476154351 891078782 /nfs/dbraw/zinc/07/87/82/891078782.db2.gz MWMUFHQAESLJER-SJORKVTESA-N 0 0 420.494 4.234 20 5 HIBDRN COc1ccc(Cl)cc1NC(=O)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000476187367 891119845 /nfs/dbraw/zinc/11/98/45/891119845.db2.gz BTKJESOEHQGUNU-UHFFFAOYSA-N 0 0 415.780 4.299 20 5 HIBDRN O=C(c1cc2sc(N3CCCC3)nc2s1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000476283470 891201497 /nfs/dbraw/zinc/20/14/97/891201497.db2.gz NQTILZMJFCOCDX-UHFFFAOYSA-N 0 0 414.512 4.065 20 5 HIBDRN COc1ccc([C@H](CO)N(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000476348738 891253531 /nfs/dbraw/zinc/25/35/31/891253531.db2.gz HJLYMXZPNOUAPU-QFIPXVFZSA-N 0 0 421.453 4.153 20 5 HIBDRN COc1ccc(S(=O)(=O)Nc2cccc(COC(C)(C)C)c2C)cc1[N+](=O)[O-] ZINC000476430904 891342974 /nfs/dbraw/zinc/34/29/74/891342974.db2.gz RDWXKUJLYFKYAF-UHFFFAOYSA-N 0 0 408.476 4.028 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(F)c(Br)cc1Cl ZINC000476476870 891386177 /nfs/dbraw/zinc/38/61/77/891386177.db2.gz QWRMCXQIBOTDRC-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000476511557 891424635 /nfs/dbraw/zinc/42/46/35/891424635.db2.gz NACGFQVYEBMLGJ-MRXNPFEDSA-N 0 0 404.264 4.284 20 5 HIBDRN COc1c(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000476513085 891427554 /nfs/dbraw/zinc/42/75/54/891427554.db2.gz VNARHSOUECUYCZ-AWEZNQCLSA-N 0 0 404.850 4.188 20 5 HIBDRN COc1c(C(=O)N2CCC[C@H]2c2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000476662278 891608578 /nfs/dbraw/zinc/60/85/78/891608578.db2.gz FGFZBCZMJQJZHQ-NSHDSACASA-N 0 0 411.277 4.405 20 5 HIBDRN CCc1cnc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)o1 ZINC000476722109 891685691 /nfs/dbraw/zinc/68/56/91/891685691.db2.gz HRPLSZKPCYJFLA-UHFFFAOYSA-N 0 0 414.849 4.341 20 5 HIBDRN COc1c(C(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)cccc1[N+](=O)[O-] ZINC000476767163 891742848 /nfs/dbraw/zinc/74/28/48/891742848.db2.gz USXJUYNZOKLOIS-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN C[C@H]1CCCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000476817924 891804208 /nfs/dbraw/zinc/80/42/08/891804208.db2.gz CGWXZYOVGUPBCZ-AWEZNQCLSA-N 0 0 413.440 4.479 20 5 HIBDRN CC(C)C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCCCC1=O ZINC000476835470 891814340 /nfs/dbraw/zinc/81/43/40/891814340.db2.gz ZEQIMXBEVPTOIV-QGZVFWFLSA-N 0 0 416.503 4.084 20 5 HIBDRN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2OC)c(OCc2ccccc2)c1 ZINC000476912182 891864275 /nfs/dbraw/zinc/86/42/75/891864275.db2.gz XTTLPWILOYEHME-UHFFFAOYSA-N 0 0 408.410 4.443 20 5 HIBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000476991238 891916576 /nfs/dbraw/zinc/91/65/76/891916576.db2.gz BTAIIWTYMNGXTR-ACJLOTCBSA-N 0 0 423.391 4.014 20 5 HIBDRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000476993670 891920271 /nfs/dbraw/zinc/92/02/71/891920271.db2.gz IKACVQWVCFBAKO-UGSOOPFHSA-N 0 0 423.391 4.014 20 5 HIBDRN COc1c(C(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)cccc1[N+](=O)[O-] ZINC000477093035 892025733 /nfs/dbraw/zinc/02/57/33/892025733.db2.gz UWSBMRPKMIYHTN-UHFFFAOYSA-N 0 0 419.409 4.490 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1noc(-c2ccccc2F)n1 ZINC000477155458 892079314 /nfs/dbraw/zinc/07/93/14/892079314.db2.gz YKCNNWFDVBMVDV-UHFFFAOYSA-N 0 0 416.434 4.216 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC(F)F ZINC000477239726 892180996 /nfs/dbraw/zinc/18/09/96/892180996.db2.gz KAMYQHWPCGCJRC-MRVPVSSYSA-N 0 0 418.755 4.488 20 5 HIBDRN COc1ccc(CCN(CC(C)C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000477249038 892200521 /nfs/dbraw/zinc/20/05/21/892200521.db2.gz MCXIIDIIUBQJFB-UHFFFAOYSA-N 0 0 418.465 4.021 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000477280218 892233877 /nfs/dbraw/zinc/23/38/77/892233877.db2.gz LGRBHUJNVORHHC-SFHVURJKSA-N 0 0 423.238 4.143 20 5 HIBDRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000477280166 892233910 /nfs/dbraw/zinc/23/39/10/892233910.db2.gz JGBRXILKPWJRFB-ZDUSSCGKSA-N 0 0 403.866 4.015 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000504906697 913640772 /nfs/dbraw/zinc/64/07/72/913640772.db2.gz AJLPTVZIGKMNAA-UHFFFAOYSA-N 0 0 408.433 4.015 20 5 HIBDRN COC1(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCC(C)CC1 ZINC000477327726 892295744 /nfs/dbraw/zinc/29/57/44/892295744.db2.gz XSCNGLAUPSDNEG-UHFFFAOYSA-N 0 0 414.452 4.285 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000477350013 892315893 /nfs/dbraw/zinc/31/58/93/892315893.db2.gz LWEOSYJMMPCOMH-AWEZNQCLSA-N 0 0 422.268 4.135 20 5 HIBDRN CSc1ccc(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000477354225 892319985 /nfs/dbraw/zinc/31/99/85/892319985.db2.gz PKJHWEUKCNHQNH-UHFFFAOYSA-N 0 0 410.499 4.452 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3sccc3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000477355719 892320560 /nfs/dbraw/zinc/32/05/60/892320560.db2.gz VJVUQRYXOVJIEI-UHFFFAOYSA-N 0 0 403.504 4.141 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3oc4ccccc4c3C)CC2)ccc1[N+](=O)[O-] ZINC000477375512 892336174 /nfs/dbraw/zinc/33/61/74/892336174.db2.gz PBJZXPHLJFEGQG-UHFFFAOYSA-N 0 0 409.442 4.011 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000477384762 892342683 /nfs/dbraw/zinc/34/26/83/892342683.db2.gz ROKONIBLGQVPRH-UHFFFAOYSA-N 0 0 408.845 4.363 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000477411080 892364934 /nfs/dbraw/zinc/36/49/34/892364934.db2.gz HXJYJFQIMURIHC-LBPRGKRZSA-N 0 0 412.248 4.358 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000477413042 892366460 /nfs/dbraw/zinc/36/64/60/892366460.db2.gz MVJCJUXYJMZXIG-UHFFFAOYSA-N 0 0 401.444 4.230 20 5 HIBDRN O=c1c(Br)cn(CCCOc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000477421525 892374511 /nfs/dbraw/zinc/37/45/11/892374511.db2.gz RHWYAHMAJHAKGC-UHFFFAOYSA-N 0 0 421.169 4.007 20 5 HIBDRN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N(CCO)CC(F)F ZINC000477425666 892378296 /nfs/dbraw/zinc/37/82/96/892378296.db2.gz TYBHRLOOIMIPQP-UHFFFAOYSA-N 0 0 416.833 4.099 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000477445256 892395696 /nfs/dbraw/zinc/39/56/96/892395696.db2.gz QRVFYIFGZNQHIZ-UHFFFAOYSA-N 0 0 400.356 4.460 20 5 HIBDRN CCOc1ccc([C@H](C)N[C@H](c2nccn2C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000504929392 913668396 /nfs/dbraw/zinc/66/83/96/913668396.db2.gz IOCQKYQSLNRAEV-BTYIYWSLSA-N 0 0 410.474 4.176 20 5 HIBDRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000504932226 913672441 /nfs/dbraw/zinc/67/24/41/913672441.db2.gz ZPMVJEOTFDRBMU-ZDUSSCGKSA-N 0 0 411.277 4.405 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC000477522083 892542554 /nfs/dbraw/zinc/54/25/54/892542554.db2.gz CPTNJAHVDVGJTE-MRXNPFEDSA-N 0 0 411.462 4.343 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000477605841 892689054 /nfs/dbraw/zinc/68/90/54/892689054.db2.gz DCMFHTLBXNAWCY-UHFFFAOYSA-N 0 0 416.890 4.438 20 5 HIBDRN CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000477617242 892717013 /nfs/dbraw/zinc/71/70/13/892717013.db2.gz LQKYNCTZUYBVAI-MDZRGWNJSA-N 0 0 401.507 4.051 20 5 HIBDRN CCNC(=O)N(C)c1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000477653942 892783082 /nfs/dbraw/zinc/78/30/82/892783082.db2.gz UAXFXFCJFZSPOR-UHFFFAOYSA-N 0 0 422.894 4.145 20 5 HIBDRN Cc1c(Br)c(N2CC3(CCOCC3)c3ccccc32)ncc1[N+](=O)[O-] ZINC000477702861 892817446 /nfs/dbraw/zinc/81/74/46/892817446.db2.gz NJXTZHIKBLSRAT-UHFFFAOYSA-N 0 0 404.264 4.261 20 5 HIBDRN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(Br)cn1 ZINC000477783369 892864631 /nfs/dbraw/zinc/86/46/31/892864631.db2.gz WTOCGUYNXVPUDW-SECBINFHSA-N 0 0 406.261 4.458 20 5 HIBDRN CCOc1c(Br)cc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OC ZINC000504969365 913708128 /nfs/dbraw/zinc/70/81/28/913708128.db2.gz PATJVYWXGQSBFG-UHFFFAOYSA-N 0 0 420.219 4.482 20 5 HIBDRN COC(=O)c1csc(-c2cccc(CNc3ncc(Cl)cc3[N+](=O)[O-])c2)n1 ZINC000477802204 892876723 /nfs/dbraw/zinc/87/67/23/892876723.db2.gz STTBHLBTCVSLBG-UHFFFAOYSA-N 0 0 404.835 4.165 20 5 HIBDRN C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccc(Br)cn1 ZINC000477804575 892877514 /nfs/dbraw/zinc/87/75/14/892877514.db2.gz VNFOYIXYJOSWGI-GFCCVEGCSA-N 0 0 422.282 4.330 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000477901048 892969721 /nfs/dbraw/zinc/96/97/21/892969721.db2.gz LZOZPCGIBSDPIS-UHFFFAOYSA-N 0 0 409.423 4.160 20 5 HIBDRN Cc1c(CC(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)cccc1[N+](=O)[O-] ZINC000477910798 892987201 /nfs/dbraw/zinc/98/72/01/892987201.db2.gz SKBRUBBXZJUVNI-UHFFFAOYSA-N 0 0 404.348 4.289 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000477979938 893078101 /nfs/dbraw/zinc/07/81/01/893078101.db2.gz BZPSWQXMHAXULN-VXGBXAGGSA-N 0 0 418.272 4.253 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000477981899 893080458 /nfs/dbraw/zinc/08/04/58/893080458.db2.gz HRAKQBZIGNXRCA-ZIAGYGMSSA-N 0 0 424.320 4.283 20 5 HIBDRN C[C@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1F ZINC000477991864 893092813 /nfs/dbraw/zinc/09/28/13/893092813.db2.gz MKSLHOGFKGCKKB-RLCGTCKNSA-N 0 0 413.268 4.334 20 5 HIBDRN NC(=O)c1ccc(CN2CC=C(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000477997990 893099841 /nfs/dbraw/zinc/09/98/41/893099841.db2.gz HQURVMIRFTZRDF-UHFFFAOYSA-N 0 0 405.376 4.002 20 5 HIBDRN COc1ccc(CCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1Br ZINC000504995496 913742006 /nfs/dbraw/zinc/74/20/06/913742006.db2.gz CLWQNAYLPDYKFW-UHFFFAOYSA-N 0 0 404.220 4.201 20 5 HIBDRN Cn1cnnc1Sc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1[N+](=O)[O-] ZINC000504996308 913741559 /nfs/dbraw/zinc/74/15/59/913741559.db2.gz MWWZWCDLZPPXDX-UHFFFAOYSA-N 0 0 414.834 4.245 20 5 HIBDRN COc1cc(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)ccc1[N+](=O)[O-] ZINC000478052649 893203002 /nfs/dbraw/zinc/20/30/02/893203002.db2.gz IDUNGUBPCQTBND-UHFFFAOYSA-N 0 0 409.423 4.403 20 5 HIBDRN CC(C)(C)c1ccccc1C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000478077990 893242226 /nfs/dbraw/zinc/24/22/26/893242226.db2.gz DRFRQDXDZVGDOH-UHFFFAOYSA-N 0 0 421.501 4.121 20 5 HIBDRN Cc1cc(Br)c2ccccc2c1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000478086959 893249778 /nfs/dbraw/zinc/24/97/78/893249778.db2.gz QOICIQWYDROYFN-UHFFFAOYSA-N 0 0 403.236 4.044 20 5 HIBDRN C[C@H](CC1CCCCC1)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000478088666 893252278 /nfs/dbraw/zinc/25/22/78/893252278.db2.gz RSEKZICVYIQNCN-MRXNPFEDSA-N 0 0 413.522 4.116 20 5 HIBDRN CCCC[C@](C)(NC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1cccc(Br)c1 ZINC000478128786 893301738 /nfs/dbraw/zinc/30/17/38/893301738.db2.gz QXHCPXLYZUTSBV-SFHVURJKSA-N 0 0 423.311 4.235 20 5 HIBDRN Cc1nc(CCNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)sc1C ZINC000478170597 893337124 /nfs/dbraw/zinc/33/71/24/893337124.db2.gz GOIZNZQJOKRNQP-ZIAGYGMSSA-N 0 0 416.547 4.123 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000478189660 893352313 /nfs/dbraw/zinc/35/23/13/893352313.db2.gz GEWKNGBOJVBYMS-MRXNPFEDSA-N 0 0 422.503 4.439 20 5 HIBDRN O=C(Nc1nc(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cs1)c1cccs1 ZINC000505018207 913759056 /nfs/dbraw/zinc/75/90/56/913759056.db2.gz HAPWFPXOPPGHEQ-UHFFFAOYSA-N 0 0 413.440 4.006 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478224134 893384866 /nfs/dbraw/zinc/38/48/66/893384866.db2.gz HUAOLOVUUSBNKH-UHFFFAOYSA-N 0 0 410.861 4.454 20 5 HIBDRN CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000478223959 893385608 /nfs/dbraw/zinc/38/56/08/893385608.db2.gz 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Cn1cc([C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccc(F)cc2)cn1 ZINC000478332734 893568590 /nfs/dbraw/zinc/56/85/90/893568590.db2.gz STTVOKYHYLBSFV-HXUWFJFHSA-N 0 0 407.405 4.002 20 5 HIBDRN CCc1ccccc1-n1cnnc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000505045443 913788490 /nfs/dbraw/zinc/78/84/90/913788490.db2.gz WWTBSBZARKZFBQ-UHFFFAOYSA-N 0 0 408.443 4.080 20 5 HIBDRN O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1ccc([N+](=O)[O-])s1 ZINC000478370378 893635276 /nfs/dbraw/zinc/63/52/76/893635276.db2.gz NJNWGFQVKWHHTM-UHFFFAOYSA-N 0 0 405.439 4.215 20 5 HIBDRN COc1ccc(OC[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)cc1[N+](=O)[O-] ZINC000478398605 893681944 /nfs/dbraw/zinc/68/19/44/893681944.db2.gz KMNUGLJZGDITAG-CYFREDJKSA-N 0 0 423.465 4.458 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478417070 893707122 /nfs/dbraw/zinc/70/71/22/893707122.db2.gz MLWNFBHMFOYDCX-UHFFFAOYSA-N 0 0 406.360 4.308 20 5 HIBDRN CCCc1n[nH]c(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000478435141 893735979 /nfs/dbraw/zinc/73/59/79/893735979.db2.gz UXPDVYIREBYVCM-UHFFFAOYSA-N 0 0 408.380 4.219 20 5 HIBDRN CC1(c2cccc(Cl)c2)CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000478453821 893772693 /nfs/dbraw/zinc/77/26/93/893772693.db2.gz FDMJQVFPZCXHKL-UHFFFAOYSA-N 0 0 416.861 4.213 20 5 HIBDRN O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000478472075 893800560 /nfs/dbraw/zinc/80/05/60/893800560.db2.gz BMTYZPAFRLTAGV-CQSZACIVSA-N 0 0 423.174 4.384 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000478577488 893857048 /nfs/dbraw/zinc/85/70/48/893857048.db2.gz UEWBCHLFGPASLG-CTYIDZIISA-N 0 0 406.891 4.009 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000478579866 893858568 /nfs/dbraw/zinc/85/85/68/893858568.db2.gz BEXXSLWGVXKZTF-CQSZACIVSA-N 0 0 406.389 4.305 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000505088172 913812362 /nfs/dbraw/zinc/81/23/62/913812362.db2.gz WKZZNFJUARCMMK-CQSZACIVSA-N 0 0 415.515 4.336 20 5 HIBDRN COc1ccccc1SC[C@H](C)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000505092906 913813232 /nfs/dbraw/zinc/81/32/32/913813232.db2.gz MFMJGUUGIQNPHM-OAHLLOKOSA-N 0 0 413.499 4.103 20 5 HIBDRN COCCSc1ccc([C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000478608723 893872628 /nfs/dbraw/zinc/87/26/28/893872628.db2.gz PMPAZCCUROJGNB-OAHLLOKOSA-N 0 0 403.504 4.202 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000505096183 913815385 /nfs/dbraw/zinc/81/53/85/913815385.db2.gz HQBGSJLCDUFMQI-UHFFFAOYSA-N 0 0 413.861 4.025 20 5 HIBDRN Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1NC(=O)N(C)C ZINC000478668511 893917190 /nfs/dbraw/zinc/91/71/90/893917190.db2.gz DDKOIOHNEGSZPA-UHFFFAOYSA-N 0 0 421.251 4.012 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000505104351 913818554 /nfs/dbraw/zinc/81/85/54/913818554.db2.gz LNQNVRVBLLGXKG-UHFFFAOYSA-N 0 0 417.893 4.262 20 5 HIBDRN CC(C)c1csc(CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000478717680 893987081 /nfs/dbraw/zinc/98/70/81/893987081.db2.gz CIRIOKDTHACEQS-CQSZACIVSA-N 0 0 402.520 4.341 20 5 HIBDRN CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])c(OCC)c2)cc1 ZINC000478732995 894008363 /nfs/dbraw/zinc/00/83/63/894008363.db2.gz KTDGJSUVLRWDHZ-LJQANCHMSA-N 0 0 414.458 4.135 20 5 HIBDRN CSc1ccc(CSCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 ZINC000478761286 894036743 /nfs/dbraw/zinc/03/67/43/894036743.db2.gz LJXYFMFUFIIDAL-UHFFFAOYSA-N 0 0 420.512 4.350 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nn(C)c2ccccc12 ZINC000478792939 894068003 /nfs/dbraw/zinc/06/80/03/894068003.db2.gz IQGPSLJDQXLGTM-UHFFFAOYSA-N 0 0 412.515 4.346 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H]2CCc3c2cccc3Br)cccc1[N+](=O)[O-] ZINC000478887260 894166952 /nfs/dbraw/zinc/16/69/52/894166952.db2.gz QZFXEWBAIWJDKJ-MRXNPFEDSA-N 0 0 404.264 4.152 20 5 HIBDRN CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000505149917 913843219 /nfs/dbraw/zinc/84/32/19/913843219.db2.gz ZPEHLZGDRMKQLN-LSDHHAIUSA-N 0 0 415.515 4.091 20 5 HIBDRN Cc1nc2ccccc2nc1COc1ccc(I)cc1[N+](=O)[O-] ZINC000478904969 894184335 /nfs/dbraw/zinc/18/43/35/894184335.db2.gz WYIGDDVDJZQOEK-UHFFFAOYSA-N 0 0 421.194 4.030 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000478904473 894184428 /nfs/dbraw/zinc/18/44/28/894184428.db2.gz GHASROWDSRSKKQ-CYBMUJFWSA-N 0 0 419.743 4.002 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000478907876 894188838 /nfs/dbraw/zinc/18/88/38/894188838.db2.gz NHFCIPFBOQHFCM-CQSZACIVSA-N 0 0 403.744 4.122 20 5 HIBDRN CCOc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)cc1 ZINC000478915742 894195852 /nfs/dbraw/zinc/19/58/52/894195852.db2.gz YGBOSAOBTKQEQF-UHFFFAOYSA-N 0 0 404.488 4.004 20 5 HIBDRN Cc1nc(-c2ccc(CCNC(=O)NCc3cccc([N+](=O)[O-])c3C)cc2)cs1 ZINC000478951122 894232923 /nfs/dbraw/zinc/23/29/23/894232923.db2.gz DOKABJMOAHCORH-UHFFFAOYSA-N 0 0 410.499 4.377 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000478984119 894259322 /nfs/dbraw/zinc/25/93/22/894259322.db2.gz JUJQFLAABVBOLZ-UHFFFAOYSA-N 0 0 417.469 4.216 20 5 HIBDRN O=C(N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000505181199 913866955 /nfs/dbraw/zinc/86/69/55/913866955.db2.gz ZQPLXMXCHLILPN-LJQANCHMSA-N 0 0 414.421 4.392 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2nc3c(ccc4c3CCCC4)s2)cc([N+](=O)[O-])c1 ZINC000505183536 913868034 /nfs/dbraw/zinc/86/80/34/913868034.db2.gz JXIAHBXSBJGCTQ-UHFFFAOYSA-N 0 0 411.439 4.122 20 5 HIBDRN O=C(COc1ccc(I)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000479172815 894441578 /nfs/dbraw/zinc/44/15/78/894441578.db2.gz QNVWGICYZPIBLS-UHFFFAOYSA-N 0 0 423.615 4.176 20 5 HIBDRN O=[N+]([O-])c1cc(I)ccc1OCc1nc2ccc(F)cc2o1 ZINC000479183613 894451534 /nfs/dbraw/zinc/45/15/34/894451534.db2.gz HKOOBQQWQODBOB-UHFFFAOYSA-N 0 0 414.130 4.059 20 5 HIBDRN Cc1ccc([C@@H]2NC(=O)N(Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2=O)cc1C ZINC000479200291 894464368 /nfs/dbraw/zinc/46/43/68/894464368.db2.gz QTBYIARHCBGOCG-INIZCTEOSA-N 0 0 407.348 4.024 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000479267249 894539003 /nfs/dbraw/zinc/53/90/03/894539003.db2.gz RRYKWSCYGMKXRE-UHFFFAOYSA-N 0 0 414.458 4.158 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000479288116 894569385 /nfs/dbraw/zinc/56/93/85/894569385.db2.gz XNSZLBSTEOBERR-CQSZACIVSA-N 0 0 408.442 4.430 20 5 HIBDRN CCOC(=O)c1csc([C@@H]2CCCN2c2cc(C)nc3c2cccc3[N+](=O)[O-])n1 ZINC000479295545 894577626 /nfs/dbraw/zinc/57/76/26/894577626.db2.gz LHGKKNOXNAREMA-INIZCTEOSA-N 0 0 412.471 4.426 20 5 HIBDRN COc1cc(C(=O)NC2(c3ccccc3)CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000505209415 913884422 /nfs/dbraw/zinc/88/44/22/913884422.db2.gz IPLKQQZYNPDDFH-UHFFFAOYSA-N 0 0 406.385 4.404 20 5 HIBDRN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000479416108 894726344 /nfs/dbraw/zinc/72/63/44/894726344.db2.gz HLUGRQRASVRRLJ-MRXNPFEDSA-N 0 0 414.483 4.115 20 5 HIBDRN COc1cc(COc2ccc([C@@H]3CCOC3)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000479432371 894746826 /nfs/dbraw/zinc/74/68/26/894746826.db2.gz QNOUZIMAFOQHKO-CQSZACIVSA-N 0 0 409.385 4.330 20 5 HIBDRN CCS(=O)(=O)c1ccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)s1 ZINC000479448088 894765688 /nfs/dbraw/zinc/76/56/88/894765688.db2.gz RRSYCWBDUDGOHG-FQEVSTJZSA-N 0 0 416.524 4.329 20 5 HIBDRN Cc1cc(-n2ccnc2)ccc1CSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000479513423 894826222 /nfs/dbraw/zinc/82/62/22/894826222.db2.gz TYKQMEVNMHEJIQ-UHFFFAOYSA-N 0 0 424.482 4.320 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1O ZINC000479563945 894860648 /nfs/dbraw/zinc/86/06/48/894860648.db2.gz FBIBFXCEHFKBQW-CYBMUJFWSA-N 0 0 408.414 4.129 20 5 HIBDRN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000479655348 894928491 /nfs/dbraw/zinc/92/84/91/894928491.db2.gz LJTBGQHVHNFSKO-KRWDZBQOSA-N 0 0 403.360 4.437 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)cc([N+](=O)[O-])c1C ZINC000479667816 894945727 /nfs/dbraw/zinc/94/57/27/894945727.db2.gz VWCCYIDBWPTTCQ-MRXNPFEDSA-N 0 0 400.431 4.030 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cccc1[N+](=O)[O-] ZINC000479679741 894964378 /nfs/dbraw/zinc/96/43/78/894964378.db2.gz ZJZNEVYTTLAMOP-LBPRGKRZSA-N 0 0 415.837 4.167 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000479714800 895010925 /nfs/dbraw/zinc/01/09/25/895010925.db2.gz MUYSQWANNGNKHL-MRXNPFEDSA-N 0 0 424.226 4.102 20 5 HIBDRN CC[C@H](NC(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000479750546 895048771 /nfs/dbraw/zinc/04/87/71/895048771.db2.gz UYSUYIDUFBSGDB-FQEVSTJZSA-N 0 0 400.454 4.471 20 5 HIBDRN COc1ccc(CNC(=O)c2c(C)onc2-c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000479750143 895049014 /nfs/dbraw/zinc/04/90/14/895049014.db2.gz PKXUVFXAKBCVCC-UHFFFAOYSA-N 0 0 401.806 4.150 20 5 HIBDRN Cc1cc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)sc1Br ZINC000479751685 895051591 /nfs/dbraw/zinc/05/15/91/895051591.db2.gz JKVZFQLRTPRIFC-JXMROGBWSA-N 0 0 418.272 4.381 20 5 HIBDRN CCc1ccc([C@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCO2)cc1 ZINC000479754879 895054712 /nfs/dbraw/zinc/05/47/12/895054712.db2.gz MXLDXQXJUCMTCW-LJQANCHMSA-N 0 0 403.866 4.094 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000479770537 895070979 /nfs/dbraw/zinc/07/09/79/895070979.db2.gz MVJWCOZIXHHJHJ-XCRHUMRWSA-N 0 0 413.474 4.191 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000479770535 895072330 /nfs/dbraw/zinc/07/23/30/895072330.db2.gz MVJWCOZIXHHJHJ-SKDZVZGDSA-N 0 0 413.474 4.191 20 5 HIBDRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000479787761 895090808 /nfs/dbraw/zinc/09/08/08/895090808.db2.gz ZUSLOLGQMSIXMQ-AWEZNQCLSA-N 0 0 406.280 4.154 20 5 HIBDRN CCOc1c(Cl)cccc1CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000479792795 895097997 /nfs/dbraw/zinc/09/79/97/895097997.db2.gz NTQYHZPFWXYASL-IBGZPJMESA-N 0 0 406.891 4.464 20 5 HIBDRN CCO[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C12CCCCC2 ZINC000479833060 895154978 /nfs/dbraw/zinc/15/49/78/895154978.db2.gz WPABJLYEQCOYIJ-JKSUJKDBSA-N 0 0 411.296 4.215 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(Cc2ccccc2F)CC1 ZINC000479835720 895159165 /nfs/dbraw/zinc/15/91/65/895159165.db2.gz GLWCEOSDFVOPLM-UHFFFAOYSA-N 0 0 408.433 4.015 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H]2COc3c2ccc(C)c3C)c([N+](=O)[O-])cc1OCC ZINC000479928776 895277930 /nfs/dbraw/zinc/27/79/30/895277930.db2.gz LWZBVZHELSCAFC-INIZCTEOSA-N 0 0 415.446 4.264 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc([N+](=O)[O-])c1C ZINC000479941188 895293743 /nfs/dbraw/zinc/29/37/43/895293743.db2.gz OQQGQJVJYWSQAX-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000479960574 895313287 /nfs/dbraw/zinc/31/32/87/895313287.db2.gz HZZSYSWAEPPQLK-AWEZNQCLSA-N 0 0 416.869 4.207 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000505299971 913959569 /nfs/dbraw/zinc/95/95/69/913959569.db2.gz NBVHLIABDCGORF-UHFFFAOYSA-N 0 0 404.728 4.450 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cccc1[N+](=O)[O-] ZINC000480059646 895407286 /nfs/dbraw/zinc/40/72/86/895407286.db2.gz IIIXPVRAQJLMRI-HNNXBMFYSA-N 0 0 410.474 4.240 20 5 HIBDRN Cc1c(CNC(=O)N2CCc3c(Br)ccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000480066269 895415705 /nfs/dbraw/zinc/41/57/05/895415705.db2.gz ZWMMCCPMEPJILJ-UHFFFAOYSA-N 0 0 422.254 4.073 20 5 HIBDRN Cc1cccc2nc(C3CCN(C(=O)NCc4cccc([N+](=O)[O-])c4C)CC3)oc21 ZINC000480069920 895420480 /nfs/dbraw/zinc/42/04/80/895420480.db2.gz NBTKXUDMUDMUTJ-UHFFFAOYSA-N 0 0 408.458 4.442 20 5 HIBDRN Cc1c(CNC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000480073286 895424189 /nfs/dbraw/zinc/42/41/89/895424189.db2.gz TZXWSGCOCTVOMD-IBGZPJMESA-N 0 0 421.457 4.390 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccc(OC(F)F)c3ncccc23)cccc1[N+](=O)[O-] ZINC000480074745 895426695 /nfs/dbraw/zinc/42/66/95/895426695.db2.gz RNDRCZXDHHIQRZ-UHFFFAOYSA-N 0 0 402.357 4.375 20 5 HIBDRN Cc1c(CNC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000480074730 895426821 /nfs/dbraw/zinc/42/68/21/895426821.db2.gz XOAKQCIXEWERPP-HZPDHXFCSA-N 0 0 424.501 4.343 20 5 HIBDRN Cn1cc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000480142144 895522765 /nfs/dbraw/zinc/52/27/65/895522765.db2.gz DWBSQMUIHMYNMU-UHFFFAOYSA-N 0 0 410.405 4.318 20 5 HIBDRN CCc1cc(N2CCC(NC(=O)c3cc4ccccc4c4cccnc34)CC2)ncn1 ZINC000480142869 895523694 /nfs/dbraw/zinc/52/36/94/895523694.db2.gz IAYOGZNHTJHQFY-UHFFFAOYSA-N 0 0 411.509 4.139 20 5 HIBDRN Cc1nc(C2(NC(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CCCCC2)no1 ZINC000480259246 895668242 /nfs/dbraw/zinc/66/82/42/895668242.db2.gz FSGBBNBWZXHYRL-UHFFFAOYSA-N 0 0 413.356 4.286 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)c([N+](=O)[O-])c1 ZINC000480314331 895717213 /nfs/dbraw/zinc/71/72/13/895717213.db2.gz MAAAEXUHYXVZDX-UHFFFAOYSA-N 0 0 416.846 4.450 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000480325407 895728258 /nfs/dbraw/zinc/72/82/58/895728258.db2.gz JHGKCWGVPMPDFV-ZWKOTPCHSA-N 0 0 406.360 4.182 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H]2Cc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000480340706 895744915 /nfs/dbraw/zinc/74/49/15/895744915.db2.gz XFFYCXHOXHNWPZ-QGZVFWFLSA-N 0 0 424.888 4.424 20 5 HIBDRN CC1(c2ccc(Cl)cc2)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000480355746 895761849 /nfs/dbraw/zinc/76/18/49/895761849.db2.gz RZYXXOFCQKFHMU-UHFFFAOYSA-N 0 0 414.936 4.271 20 5 HIBDRN O=C(Nc1ccc(OCC(F)F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000480397730 895802175 /nfs/dbraw/zinc/80/21/75/895802175.db2.gz RLIVUASXNJPGNP-UHFFFAOYSA-N 0 0 405.401 4.094 20 5 HIBDRN Cc1cc(-c2noc(CSCc3cc([N+](=O)[O-])cc4c3OCOC4)n2)ccc1F ZINC000480426346 895820836 /nfs/dbraw/zinc/82/08/36/895820836.db2.gz MXVGIIFKXNWMRK-UHFFFAOYSA-N 0 0 417.418 4.392 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Sc2nc3cc(Cl)ccc3[nH]2)c([N+](=O)[O-])c1 ZINC000480430531 895824030 /nfs/dbraw/zinc/82/40/30/895824030.db2.gz HQZHQNBKBFPIMO-UHFFFAOYSA-N 0 0 413.846 4.240 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Sc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000480430998 895824126 /nfs/dbraw/zinc/82/41/26/895824126.db2.gz JHXKMKYWSMUGFI-UHFFFAOYSA-N 0 0 418.272 4.473 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000480525542 895888677 /nfs/dbraw/zinc/88/86/77/895888677.db2.gz HLBYEDGRZCXMJJ-UHFFFAOYSA-N 0 0 400.504 4.022 20 5 HIBDRN CCc1c(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000480560091 895919602 /nfs/dbraw/zinc/91/96/02/895919602.db2.gz XCWWTRHVJRXEEB-UHFFFAOYSA-N 0 0 400.822 4.257 20 5 HIBDRN COc1cc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c1C ZINC000480584993 895946564 /nfs/dbraw/zinc/94/65/64/895946564.db2.gz TUVMUQJXQWGODT-FXAWDEMLSA-N 0 0 402.422 4.043 20 5 HIBDRN Cc1cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnc1N1CCCC[C@@H]1C ZINC000480656220 896024481 /nfs/dbraw/zinc/02/44/81/896024481.db2.gz WMFFEESAJGOEGG-KRWDZBQOSA-N 0 0 411.506 4.383 20 5 HIBDRN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000480661734 896027568 /nfs/dbraw/zinc/02/75/68/896027568.db2.gz IPWMKXBJWCMXMH-HNNXBMFYSA-N 0 0 422.485 4.113 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1 ZINC000480726846 896086972 /nfs/dbraw/zinc/08/69/72/896086972.db2.gz RNZCZZAVBPNHMF-CYBMUJFWSA-N 0 0 401.488 4.487 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480729155 896089848 /nfs/dbraw/zinc/08/98/48/896089848.db2.gz RLCSUVRQXCSFQZ-CQSZACIVSA-N 0 0 411.549 4.482 20 5 HIBDRN Cc1cc(NC(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000480766396 896128852 /nfs/dbraw/zinc/12/88/52/896128852.db2.gz SISUKWAHOYBIQP-HXUWFJFHSA-N 0 0 424.501 4.039 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1C ZINC000480771319 896135994 /nfs/dbraw/zinc/13/59/94/896135994.db2.gz OAYLGWWGZTZVGQ-UHFFFAOYSA-N 0 0 416.421 4.355 20 5 HIBDRN Cc1nc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c2ccc(Cl)cc2)no1 ZINC000480780343 896145942 /nfs/dbraw/zinc/14/59/42/896145942.db2.gz NQESUPQVSUGALT-INIZCTEOSA-N 0 0 401.810 4.159 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3C[C@H]3c3ccc(Br)s3)cc2N1 ZINC000480815401 896186338 /nfs/dbraw/zinc/18/63/38/896186338.db2.gz UWRXPUQVDGRERI-MWLCHTKSSA-N 0 0 408.277 4.272 20 5 HIBDRN C[C@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000480940857 896288086 /nfs/dbraw/zinc/28/80/86/896288086.db2.gz WFWRIXDGJZXCGR-STQMWFEESA-N 0 0 401.850 4.371 20 5 HIBDRN C[C@H](NC(=O)NCc1ccncc1OCCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000480948483 896292750 /nfs/dbraw/zinc/29/27/50/896292750.db2.gz BCWXJTIJYSMNIS-HNNXBMFYSA-N 0 0 400.479 4.365 20 5 HIBDRN Cc1ccc2oc(CN(Cc3ccco3)C(=O)Nc3ccncc3[N+](=O)[O-])cc2c1 ZINC000480956178 896298165 /nfs/dbraw/zinc/29/81/65/896298165.db2.gz SKBGIQMIPQBNAC-UHFFFAOYSA-N 0 0 406.398 4.294 20 5 HIBDRN COc1ccc(NC(=O)CCCOc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000480973628 896311365 /nfs/dbraw/zinc/31/13/65/896311365.db2.gz SYQGAZVBZGEFOE-UHFFFAOYSA-N 0 0 409.236 4.164 20 5 HIBDRN Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)s2)cs1 ZINC000481008544 896339504 /nfs/dbraw/zinc/33/95/04/896339504.db2.gz AJQGKONBLXVXHG-LLVKDONJSA-N 0 0 423.541 4.436 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000481100355 896423561 /nfs/dbraw/zinc/42/35/61/896423561.db2.gz HHYQJKXDOUVPGF-GUYCJALGSA-N 0 0 420.412 4.176 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1c(F)cccc1F)C1CC1 ZINC000481107435 896431219 /nfs/dbraw/zinc/43/12/19/896431219.db2.gz BMVYMUVWLYTUJX-UHFFFAOYSA-N 0 0 401.413 4.278 20 5 HIBDRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000505404751 914068907 /nfs/dbraw/zinc/06/89/07/914068907.db2.gz IFEDEFBKHHNWCO-UHFFFAOYSA-N 0 0 411.483 4.433 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000505404048 914069401 /nfs/dbraw/zinc/06/94/01/914069401.db2.gz RVNDZJKXKXQVNM-HNNXBMFYSA-N 0 0 400.378 4.359 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000481137780 896465237 /nfs/dbraw/zinc/46/52/37/896465237.db2.gz OGCRQOYNURQPAX-UHFFFAOYSA-N 0 0 404.473 4.037 20 5 HIBDRN Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000481154716 896488233 /nfs/dbraw/zinc/48/82/33/896488233.db2.gz MQEDFVZCLYYJBC-UHFFFAOYSA-N 0 0 411.805 4.018 20 5 HIBDRN COc1ccc([C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(F)(F)F)cc1 ZINC000505410492 914075356 /nfs/dbraw/zinc/07/53/56/914075356.db2.gz VIXILTWGSDEOEM-SFHVURJKSA-N 0 0 407.348 4.047 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2ccccc2n1CCc1ccccn1 ZINC000481233269 896583904 /nfs/dbraw/zinc/58/39/04/896583904.db2.gz OLEDGVUXFGIPDH-UHFFFAOYSA-N 0 0 401.426 4.143 20 5 HIBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000481248942 896600714 /nfs/dbraw/zinc/60/07/14/896600714.db2.gz FJTDCGFEECWRLD-UHFFFAOYSA-N 0 0 408.907 4.000 20 5 HIBDRN CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481349120 896720565 /nfs/dbraw/zinc/72/05/65/896720565.db2.gz QMCROBQBAPWPEZ-UHFFFAOYSA-N 0 0 408.443 4.216 20 5 HIBDRN CCOc1ccccc1OCCSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000481348400 896720977 /nfs/dbraw/zinc/72/09/77/896720977.db2.gz PWOGQHLDCHDJEA-UHFFFAOYSA-N 0 0 414.487 4.443 20 5 HIBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CC2(CCOCC2)c2ccccc21 ZINC000481432161 896833144 /nfs/dbraw/zinc/83/31/44/896833144.db2.gz FVGAYKOXVMXOCO-UHFFFAOYSA-N 0 0 406.360 4.322 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC2(CCOCC2)c2ccccc21 ZINC000481465171 896857811 /nfs/dbraw/zinc/85/78/11/896857811.db2.gz JWPFHABMWXVKOR-UHFFFAOYSA-N 0 0 421.478 4.427 20 5 HIBDRN Cc1c(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cccc1[N+](=O)[O-] ZINC000481482095 896865076 /nfs/dbraw/zinc/86/50/76/896865076.db2.gz QDVGUHGUICIGMU-UHFFFAOYSA-N 0 0 423.375 4.106 20 5 HIBDRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481483578 896866022 /nfs/dbraw/zinc/86/60/22/896866022.db2.gz ZMJUVXDZGJFSJK-UHFFFAOYSA-N 0 0 412.877 4.348 20 5 HIBDRN Cc1c(CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000481486393 896868440 /nfs/dbraw/zinc/86/84/40/896868440.db2.gz ZXFRJSIGOURMQC-UHFFFAOYSA-N 0 0 415.534 4.165 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCc2ccccc21 ZINC000481499212 896873501 /nfs/dbraw/zinc/87/35/01/896873501.db2.gz SAWFEQHDZRSZBL-MRXNPFEDSA-N 0 0 400.500 4.183 20 5 HIBDRN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000481545263 896907414 /nfs/dbraw/zinc/90/74/14/896907414.db2.gz QZAOSBPJWGCRRX-SGTLLEGYSA-N 0 0 402.838 4.164 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000481556273 896928011 /nfs/dbraw/zinc/92/80/11/896928011.db2.gz JRMUYJZWTWKPRK-UHFFFAOYSA-N 0 0 403.851 4.131 20 5 HIBDRN CCOc1cc(NC(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)c([N+](=O)[O-])cc1OCC ZINC000481584240 896964114 /nfs/dbraw/zinc/96/41/14/896964114.db2.gz JRVMSZJHKFQASY-QAPCUYQASA-N 0 0 423.510 4.498 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000481599406 896977928 /nfs/dbraw/zinc/97/79/28/896977928.db2.gz NTLGQQYVFCIRLV-IBGZPJMESA-N 0 0 421.856 4.098 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c1C ZINC000481599633 896978244 /nfs/dbraw/zinc/97/82/44/896978244.db2.gz PSXOJXDWDDCARG-UHFFFAOYSA-N 0 0 421.219 4.053 20 5 HIBDRN CC(C)C(=O)Nc1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481599258 896978363 /nfs/dbraw/zinc/97/83/63/896978363.db2.gz OXDUIFYAFGUQFS-UHFFFAOYSA-N 0 0 404.854 4.207 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1CN1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000481614406 896996329 /nfs/dbraw/zinc/99/63/29/896996329.db2.gz QKVOONHMSLYLEF-KRWDZBQOSA-N 0 0 413.218 4.209 20 5 HIBDRN COC(=O)[C@](C)(NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)c(Cl)c1 ZINC000481617881 897000921 /nfs/dbraw/zinc/00/09/21/897000921.db2.gz AGTUNZOTNXHONF-GOSISDBHSA-N 0 0 413.257 4.088 20 5 HIBDRN COC(=O)[C@@](C)(NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)c(Cl)c1 ZINC000481617882 897001111 /nfs/dbraw/zinc/00/11/11/897001111.db2.gz AGTUNZOTNXHONF-SFHVURJKSA-N 0 0 413.257 4.088 20 5 HIBDRN CCOc1ccc2nc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1 ZINC000505455581 914123609 /nfs/dbraw/zinc/12/36/09/914123609.db2.gz NSUPAWAHWBRFNK-UHFFFAOYSA-N 0 0 409.427 4.041 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000481691732 897077381 /nfs/dbraw/zinc/07/73/81/897077381.db2.gz UBEDWIRPWRTFKT-CYBMUJFWSA-N 0 0 418.881 4.141 20 5 HIBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000481693546 897079126 /nfs/dbraw/zinc/07/91/26/897079126.db2.gz SVMMCJIEVSMWSK-OYHNWAKOSA-N 0 0 406.442 4.227 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)n1 ZINC000481709992 897100074 /nfs/dbraw/zinc/10/00/74/897100074.db2.gz WQPDAAAQJYJWMP-UHFFFAOYSA-N 0 0 417.418 4.055 20 5 HIBDRN CCC(=O)Nc1ccc(C)c(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000481715796 897107850 /nfs/dbraw/zinc/10/78/50/897107850.db2.gz QWQXCCZIYUJGBU-UHFFFAOYSA-N 0 0 404.854 4.269 20 5 HIBDRN CCOc1cc(N2CCN(Cc3ncc(-c4cccs4)o3)CC2)ccc1[N+](=O)[O-] ZINC000481751666 897142074 /nfs/dbraw/zinc/14/20/74/897142074.db2.gz RNDOZJVJJSNLNW-UHFFFAOYSA-N 0 0 414.487 4.032 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1OC ZINC000505460379 914131015 /nfs/dbraw/zinc/13/10/15/914131015.db2.gz NAAZIYLXYJJVIJ-WFASDCNBSA-N 0 0 424.375 4.307 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3C[C@H](C)S(=O)[C@@H](C)C3)cc2[N+](=O)[O-])cc1 ZINC000481789559 897170666 /nfs/dbraw/zinc/17/06/66/897170666.db2.gz ZUXSWQFQRGMRTA-GJZGRUSLSA-N 0 0 418.540 4.036 20 5 HIBDRN CNC(=O)C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1 ZINC000481838528 897205350 /nfs/dbraw/zinc/20/53/50/897205350.db2.gz RRMSVAPQVHFLJQ-IBGZPJMESA-N 0 0 413.861 4.475 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2ccc(Cl)cc2)CC1 ZINC000481842860 897208952 /nfs/dbraw/zinc/20/89/52/897208952.db2.gz QIFOJRQCWUSUIM-UHFFFAOYSA-N 0 0 403.866 4.075 20 5 HIBDRN O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000481847085 897213864 /nfs/dbraw/zinc/21/38/64/897213864.db2.gz MAQNBFFLQRLZMR-UHFFFAOYSA-N 0 0 406.373 4.442 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H](c3ccccc3)C(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000481916024 897298778 /nfs/dbraw/zinc/29/87/78/897298778.db2.gz BJNIMTAJHGXXDC-SFHVURJKSA-N 0 0 414.412 4.193 20 5 HIBDRN COc1c(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)cccc1[N+](=O)[O-] ZINC000481923580 897307661 /nfs/dbraw/zinc/30/76/61/897307661.db2.gz PVHLTMNXCPGMLM-UHFFFAOYSA-N 0 0 404.382 4.294 20 5 HIBDRN Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481960892 897350419 /nfs/dbraw/zinc/35/04/19/897350419.db2.gz NISSGRBFPUNGEZ-UHFFFAOYSA-N 0 0 419.503 4.305 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000505475270 914151690 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HIIFBUVGGNHZJA-HXUWFJFHSA-N 0 0 400.450 4.174 20 5 HIBDRN O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000482062379 897494466 /nfs/dbraw/zinc/49/44/66/897494466.db2.gz COULOJWJBUYQAF-CYBMUJFWSA-N 0 0 410.348 4.431 20 5 HIBDRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000482075773 897512323 /nfs/dbraw/zinc/51/23/23/897512323.db2.gz YSWQWNSQYCYXIS-UHFFFAOYSA-N 0 0 412.877 4.082 20 5 HIBDRN COc1cccc([C@H]2[C@H](NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCN2C2CC2)c1 ZINC000482084436 897524400 /nfs/dbraw/zinc/52/44/00/897524400.db2.gz OZRBFRQJOILIFI-KNQAVFIVSA-N 0 0 421.453 4.057 20 5 HIBDRN COc1ccc(OC(F)F)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000482164003 897627602 /nfs/dbraw/zinc/62/76/02/897627602.db2.gz NUGHPFHWQNTLEL-UHFFFAOYSA-N 0 0 424.403 4.403 20 5 HIBDRN COc1ccc(CSCC(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000482225950 897704903 /nfs/dbraw/zinc/70/49/03/897704903.db2.gz NALFJLBFBGNBBL-KGLIPLIRSA-N 0 0 420.453 4.322 20 5 HIBDRN 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ZINC000482494067 898073628 /nfs/dbraw/zinc/07/36/28/898073628.db2.gz PRWNPMJMTGAMRC-UHFFFAOYSA-N 0 0 416.909 4.027 20 5 HIBDRN O=C(Nc1cc(F)ccc1OCC1CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000482524834 898111997 /nfs/dbraw/zinc/11/19/97/898111997.db2.gz PWAPJUPHRHSISE-UHFFFAOYSA-N 0 0 413.449 4.378 20 5 HIBDRN O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4ccc(N5CCCC5)cc4)no3)n2)c1 ZINC000482562874 898154392 /nfs/dbraw/zinc/15/43/92/898154392.db2.gz VICPDTZXLKCWMF-UHFFFAOYSA-N 0 0 402.414 4.098 20 5 HIBDRN Cc1nn(CCC(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)c(C)c1[N+](=O)[O-] ZINC000482573278 898169012 /nfs/dbraw/zinc/16/90/12/898169012.db2.gz CPXPUMKTWFKLGB-UHFFFAOYSA-N 0 0 421.429 4.147 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Br)s2)cc1SC ZINC000482584961 898182123 /nfs/dbraw/zinc/18/21/23/898182123.db2.gz XGCMDEXCAKPKCS-UHFFFAOYSA-N 0 0 417.306 4.079 20 5 HIBDRN O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505536517 914231230 /nfs/dbraw/zinc/23/12/30/914231230.db2.gz 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Cc1c(CNC(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cccc1[N+](=O)[O-] ZINC000483687701 899346176 /nfs/dbraw/zinc/34/61/76/899346176.db2.gz SHQRFNIKTUHCNB-UHFFFAOYSA-N 0 0 421.335 4.294 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(OCc2ccccc2)CC1 ZINC000483815234 899493741 /nfs/dbraw/zinc/49/37/41/899493741.db2.gz JGPWXHFQEFOFSW-UHFFFAOYSA-N 0 0 406.385 4.018 20 5 HIBDRN Cc1c(CNC(=O)C(=O)Nc2ccc(Cl)cc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000483820862 899499271 /nfs/dbraw/zinc/49/92/71/899499271.db2.gz LPISMNNKFZZXIV-UHFFFAOYSA-N 0 0 423.856 4.479 20 5 HIBDRN Cc1ccc2sc(N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])nn3C)nc2c1C ZINC000483900549 899571875 /nfs/dbraw/zinc/57/18/75/899571875.db2.gz QRWQWJAYDMNIGZ-UHFFFAOYSA-N 0 0 421.482 4.402 20 5 HIBDRN COCCN(C(=O)[C@H]1C[C@@]1(C)C(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000483943189 899597715 /nfs/dbraw/zinc/59/77/15/899597715.db2.gz KIIUCAQGJFWXNQ-UZLBHIALSA-N 0 0 403.504 4.380 20 5 HIBDRN CCCC[C@H](NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000483970573 899615216 /nfs/dbraw/zinc/61/52/16/899615216.db2.gz HEQLHSUVKFCRBY-KRWDZBQOSA-N 0 0 402.447 4.282 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCSc2ccc(F)cc21 ZINC000483979199 899622531 /nfs/dbraw/zinc/62/25/31/899622531.db2.gz OTDVTUIUHZJNCU-HNNXBMFYSA-N 0 0 409.870 4.466 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl ZINC000484072880 899706273 /nfs/dbraw/zinc/70/62/73/899706273.db2.gz IIMZFQLAXSLTLI-UHFFFAOYSA-N 0 0 408.201 4.075 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000484083031 899716904 /nfs/dbraw/zinc/71/69/04/899716904.db2.gz RKPWRJYOTBNJGZ-CRAIPNDOSA-N 0 0 415.877 4.104 20 5 HIBDRN COC(=O)C(C)(C)c1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000484223875 899821983 /nfs/dbraw/zinc/82/19/83/899821983.db2.gz VPUQGZFHHKFVBR-UHFFFAOYSA-N 0 0 411.458 4.242 20 5 HIBDRN CCS[C@H]1CCC[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000484255378 899835987 /nfs/dbraw/zinc/83/59/87/899835987.db2.gz 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CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000484489188 899981442 /nfs/dbraw/zinc/98/14/42/899981442.db2.gz PUDWAAWNCUIQBN-UYAOXDASSA-N 0 0 415.446 4.320 20 5 HIBDRN CCOc1cc(C(=O)NC2(Cc3cccc(F)c3)CCC2)c([N+](=O)[O-])cc1OC ZINC000484501991 899992223 /nfs/dbraw/zinc/99/22/23/899992223.db2.gz FGJFOOLNAIVQHM-UHFFFAOYSA-N 0 0 402.422 4.036 20 5 HIBDRN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000484502592 899993519 /nfs/dbraw/zinc/99/35/19/899993519.db2.gz NRNRETDLYCLARP-UHFFFAOYSA-N 0 0 418.620 4.141 20 5 HIBDRN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C2CC2)o1 ZINC000484507825 899999323 /nfs/dbraw/zinc/99/93/23/899999323.db2.gz YPGTXFXOSLLPRD-RHSMWYFYSA-N 0 0 406.442 4.302 20 5 HIBDRN COc1ccc(Cl)cc1-c1nc(SCc2ccc([N+](=O)[O-])c(OC)c2)n[nH]1 ZINC000484512953 900003610 /nfs/dbraw/zinc/00/36/10/900003610.db2.gz HQAPBTYSVVBXTK-UHFFFAOYSA-N 0 0 406.851 4.343 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN(CC)C(C)=O)c1 ZINC000484537316 900022618 /nfs/dbraw/zinc/02/26/18/900022618.db2.gz UFFLHWJMOXRHDN-UHFFFAOYSA-N 0 0 401.488 4.328 20 5 HIBDRN COc1cc(CSc2nnc(NCc3ccc(F)cc3)s2)ccc1[N+](=O)[O-] ZINC000484544778 900026605 /nfs/dbraw/zinc/02/66/05/900026605.db2.gz TVUJJKCKGNCBPV-UHFFFAOYSA-N 0 0 406.464 4.498 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCOc2cc(Cl)c(Cl)cc21 ZINC000484613734 900070824 /nfs/dbraw/zinc/07/08/24/900070824.db2.gz BKZLKQULKCRASO-UHFFFAOYSA-N 0 0 404.209 4.489 20 5 HIBDRN COc1cc(CSc2ncnc3c2cnn3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000484625279 900077771 /nfs/dbraw/zinc/07/77/71/900077771.db2.gz AUMKHSIDYRQTSV-UHFFFAOYSA-N 0 0 407.455 4.084 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ncc(-c3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000484675518 900116494 /nfs/dbraw/zinc/11/64/94/900116494.db2.gz DIDKZLCIWOQZBH-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000484793925 900198682 /nfs/dbraw/zinc/19/86/82/900198682.db2.gz QMZIPEPQLGCCDU-FQEVSTJZSA-N 0 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ZINC000484888887 900273586 /nfs/dbraw/zinc/27/35/86/900273586.db2.gz BINLLLBTHXXKKR-UHFFFAOYSA-N 0 0 403.485 4.122 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC)ccc1O ZINC000505754746 914427716 /nfs/dbraw/zinc/42/77/16/914427716.db2.gz NHTMMRWFEXEKHP-UHFFFAOYSA-N 0 0 404.444 4.232 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)c2ccc(Br)c(C)c2)c1 ZINC000484979098 900335464 /nfs/dbraw/zinc/33/54/64/900335464.db2.gz UIEMYJZUABEKDL-UHFFFAOYSA-N 0 0 407.264 4.339 20 5 HIBDRN O=C(CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000485001196 900353337 /nfs/dbraw/zinc/35/33/37/900353337.db2.gz HMOBNMVBLCXMRM-UHFFFAOYSA-N 0 0 413.783 4.484 20 5 HIBDRN O=C(c1cccnc1)N1CCc2cc(Nc3ccc4ncccc4c3[N+](=O)[O-])ccc21 ZINC000485012648 900360367 /nfs/dbraw/zinc/36/03/67/900360367.db2.gz HWRSPQXFNXFWKY-UHFFFAOYSA-N 0 0 411.421 4.485 20 5 HIBDRN COc1ccc(CCNc2ccc([N+](=O)[O-])cc2Br)c(OC)c1OC ZINC000485025095 900369849 /nfs/dbraw/zinc/36/98/49/900369849.db2.gz OQOSSJSFDJUQEP-UHFFFAOYSA-N 0 0 411.252 4.038 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000485047738 900381137 /nfs/dbraw/zinc/38/11/37/900381137.db2.gz HBGGGVYHUOCMHV-UHFFFAOYSA-N 0 0 422.513 4.166 20 5 HIBDRN Cc1cc(Cl)cnc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000485091793 900403194 /nfs/dbraw/zinc/40/31/94/900403194.db2.gz GPMNUTZKRGVXKL-UHFFFAOYSA-N 0 0 402.760 4.411 20 5 HIBDRN CN(CCOc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485097991 900407511 /nfs/dbraw/zinc/40/75/11/900407511.db2.gz TWWCVWZDRGIGNX-UHFFFAOYSA-N 0 0 400.765 4.001 20 5 HIBDRN CCOc1cc(Br)c(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000485150876 900450492 /nfs/dbraw/zinc/45/04/92/900450492.db2.gz UYFXWDLCZXPNKW-UHFFFAOYSA-N 0 0 401.163 4.287 20 5 HIBDRN CCc1c(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1C(CC)CC ZINC000485153374 900453437 /nfs/dbraw/zinc/45/34/37/900453437.db2.gz BYMHMCDUQFSDAC-UHFFFAOYSA-N 0 0 414.510 4.069 20 5 HIBDRN CCOc1cc(Br)c(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000485157729 900455951 /nfs/dbraw/zinc/45/59/51/900455951.db2.gz CBOAGLNMHLCXLK-UHFFFAOYSA-N 0 0 413.199 4.156 20 5 HIBDRN O=[N+]([O-])c1cnc(Sc2nnc3sc4ccccc4n23)c(Br)c1 ZINC000485173427 900470466 /nfs/dbraw/zinc/47/04/66/900470466.db2.gz FUCSZUHSDXDVMU-UHFFFAOYSA-N 0 0 408.262 4.161 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000505784110 914450928 /nfs/dbraw/zinc/45/09/28/914450928.db2.gz VYWLOFRITHDALS-UHFFFAOYSA-N 0 0 423.516 4.111 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(CC(F)(F)F)C1CCCC1 ZINC000485233540 900518569 /nfs/dbraw/zinc/51/85/69/900518569.db2.gz RODAXTQWXGXTGO-UHFFFAOYSA-N 0 0 414.302 4.483 20 5 HIBDRN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000485275108 900554185 /nfs/dbraw/zinc/55/41/85/900554185.db2.gz MMSIHODBYFJSTO-SNVBAGLBSA-N 0 0 411.277 4.485 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(=O)(=O)Cc1csc(-c2ccccn2)n1 ZINC000485345631 900636782 /nfs/dbraw/zinc/63/67/82/900636782.db2.gz KQYIMBDMCDTDJY-CYBMUJFWSA-N 0 0 403.485 4.098 20 5 HIBDRN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](c1ccccc1)C(F)(F)F ZINC000485449881 900745207 /nfs/dbraw/zinc/74/52/07/900745207.db2.gz GDEFNVYJDUOQDR-QGZVFWFLSA-N 0 0 404.348 4.156 20 5 HIBDRN Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000485492521 900782788 /nfs/dbraw/zinc/78/27/88/900782788.db2.gz PJJNWBXAULLANG-CQSZACIVSA-N 0 0 410.377 4.468 20 5 HIBDRN Cc1ccc([C@H]2COCCN2C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])o1 ZINC000485501553 900790909 /nfs/dbraw/zinc/79/09/09/900790909.db2.gz WPIMQSMGVWBCFJ-OAQYLSRUSA-N 0 0 422.437 4.289 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000485513610 900798656 /nfs/dbraw/zinc/79/86/56/900798656.db2.gz BXUDSJTYXSNSLE-AWEZNQCLSA-N 0 0 412.776 4.143 20 5 HIBDRN CCOc1c(Cl)cccc1CC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000485520094 900803703 /nfs/dbraw/zinc/80/37/03/900803703.db2.gz SAHOPPJXGZPRBS-UHFFFAOYSA-N 0 0 400.822 4.014 20 5 HIBDRN O=C(NCCc1ccc2c(c1)CCO2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485557114 900830957 /nfs/dbraw/zinc/83/09/57/900830957.db2.gz HMGBRLNWKYECHF-UHFFFAOYSA-N 0 0 418.449 4.081 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000485572881 900840366 /nfs/dbraw/zinc/84/03/66/900840366.db2.gz UTHFMTYJVONNSX-UHFFFAOYSA-N 0 0 414.462 4.004 20 5 HIBDRN COC(=O)c1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cc([N+](=O)[O-])c1 ZINC000485578249 900844899 /nfs/dbraw/zinc/84/48/99/900844899.db2.gz CUHSUSDWZZAMQM-HBMCJLEFSA-N 0 0 408.454 4.180 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCc4c(C)cc(C)cc4C3)cc2)c(C)c1[N+](=O)[O-] ZINC000485591815 900854590 /nfs/dbraw/zinc/85/45/90/900854590.db2.gz TVGDIHNUZGLRIL-UHFFFAOYSA-N 0 0 418.497 4.272 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000505832208 914485610 /nfs/dbraw/zinc/48/56/10/914485610.db2.gz KVAHZOUJXDOOQM-QGZVFWFLSA-N 0 0 402.422 4.066 20 5 HIBDRN Cc1ccc(OC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 ZINC000485666289 900917098 /nfs/dbraw/zinc/91/70/98/900917098.db2.gz PLECDJDFNGLJNI-UHFFFAOYSA-N 0 0 406.385 4.188 20 5 HIBDRN COc1cc(C(=O)Nc2c3ccccc3nc(C)c2C(C)C)cc([N+](=O)[O-])c1OC ZINC000485672479 900923532 /nfs/dbraw/zinc/92/35/32/900923532.db2.gz KRMDMCYYGKUHAR-UHFFFAOYSA-N 0 0 409.442 4.266 20 5 HIBDRN CSc1cccc(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c1[N+](=O)[O-] ZINC000485729295 900981985 /nfs/dbraw/zinc/98/19/85/900981985.db2.gz HGLBOEOYJAGSTB-UHFFFAOYSA-N 0 0 405.863 4.349 20 5 HIBDRN COc1ccc(Br)c(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC000485737589 900992173 /nfs/dbraw/zinc/99/21/73/900992173.db2.gz XLOAUGWKAWASCZ-UHFFFAOYSA-N 0 0 411.277 4.018 20 5 HIBDRN CSc1cccc(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)c1[N+](=O)[O-] ZINC000485748639 901003655 /nfs/dbraw/zinc/00/36/55/901003655.db2.gz JMAQVCCESPVIOC-UHFFFAOYSA-N 0 0 410.499 4.092 20 5 HIBDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC000485755189 901012066 /nfs/dbraw/zinc/01/20/66/901012066.db2.gz PYDSHAQTHWJULB-CYBMUJFWSA-N 0 0 401.488 4.231 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000485773113 901029005 /nfs/dbraw/zinc/02/90/05/901029005.db2.gz GCCBMMCNRSGYHO-CQSZACIVSA-N 0 0 412.364 4.078 20 5 HIBDRN Cn1c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)nc2ccc(Br)cc21 ZINC000485804391 901054953 /nfs/dbraw/zinc/05/49/53/901054953.db2.gz ILVYRQKOYATXSR-UHFFFAOYSA-N 0 0 415.291 4.409 20 5 HIBDRN Cc1c(Br)cc(C(=O)N(c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000485812778 901061034 /nfs/dbraw/zinc/06/10/34/901061034.db2.gz IKILIVYKOZVSGA-OAHLLOKOSA-N 0 0 405.248 4.101 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NCC(C)(C)c3ccc(C)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000485811671 901061536 /nfs/dbraw/zinc/06/15/36/901061536.db2.gz CPBWKUIZCWWDOQ-UHFFFAOYSA-N 0 0 420.513 4.472 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000485813518 901062423 /nfs/dbraw/zinc/06/24/23/901062423.db2.gz KFOMZLYTEZUHEM-KRWDZBQOSA-N 0 0 408.426 4.199 20 5 HIBDRN O=[N+]([O-])c1ccc(OCc2noc([C@@H]3COc4ccccc4O3)n2)c(C(F)(F)F)c1 ZINC000485843439 901087622 /nfs/dbraw/zinc/08/76/22/901087622.db2.gz HKCLXKBMPDSSPY-HNNXBMFYSA-N 0 0 423.303 4.088 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(C4CC4)c4cc(Cl)ccc43)o2)cc1 ZINC000485860274 901101835 /nfs/dbraw/zinc/10/18/35/901101835.db2.gz GAWWITDRUVPRCH-UHFFFAOYSA-N 0 0 411.849 4.287 20 5 HIBDRN COCc1ccccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000485870857 901109655 /nfs/dbraw/zinc/10/96/55/901109655.db2.gz FTICEJSUKFPKEE-UHFFFAOYSA-N 0 0 412.467 4.137 20 5 HIBDRN CC(C)(C)Oc1cc(NC[C@H](c2cccs2)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000485873215 901111407 /nfs/dbraw/zinc/11/14/07/901111407.db2.gz TWHVREYYBRVBLU-QGZVFWFLSA-N 0 0 405.520 4.319 20 5 HIBDRN C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000485910219 901137355 /nfs/dbraw/zinc/13/73/55/901137355.db2.gz YUQDSECDKZSQEP-JTQLQIEISA-N 0 0 421.276 4.096 20 5 HIBDRN CC[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1nc(-c2ccccc2)c[nH]1 ZINC000485912248 901139101 /nfs/dbraw/zinc/13/91/01/901139101.db2.gz 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O=[N+]([O-])c1ccccc1OCc1nc(-c2ccc(-n3cc(Cl)cn3)c(F)c2)no1 ZINC000485980005 901198689 /nfs/dbraw/zinc/19/86/89/901198689.db2.gz QPFTZNKVOKUANY-UHFFFAOYSA-N 0 0 415.768 4.202 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2csc(-c3ccccc3F)n2)c(C)c([N+](=O)[O-])c1 ZINC000485983266 901201596 /nfs/dbraw/zinc/20/15/96/901201596.db2.gz TWYIYAABGAMXAG-UHFFFAOYSA-N 0 0 415.402 4.205 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000485989726 901208321 /nfs/dbraw/zinc/20/83/21/901208321.db2.gz MJXHIBPNSPQKKD-AWEZNQCLSA-N 0 0 413.499 4.325 20 5 HIBDRN Cc1cc(CN(CC(C)C)C(=O)c2csc([N+](=O)[O-])c2)nc(N2CCCCC2)n1 ZINC000486018776 901226178 /nfs/dbraw/zinc/22/61/78/901226178.db2.gz PXYSQCJLRQFCOW-UHFFFAOYSA-N 0 0 417.535 4.043 20 5 HIBDRN Cc1nc(-c2ccc(NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)nc2)[nH]c(=O)c1C ZINC000486019717 901227332 /nfs/dbraw/zinc/22/73/32/901227332.db2.gz WXZQMZQKJRIDIM-UHFFFAOYSA-N 0 0 419.363 4.400 20 5 HIBDRN O=c1c(Cl)c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(Br)cn12 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/nfs/dbraw/zinc/23/57/06/903235706.db2.gz PXNQQFFFXBLYHL-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000489206298 903263534 /nfs/dbraw/zinc/26/35/34/903263534.db2.gz OFTOABWZVZACRO-LJQANCHMSA-N 0 0 403.454 4.369 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000489280638 903303899 /nfs/dbraw/zinc/30/38/99/903303899.db2.gz ZMUIGDISMDPPCH-GOSISDBHSA-N 0 0 419.428 4.458 20 5 HIBDRN CCCOc1cc(NC(=O)c2ncc(C)cc2OC)c([N+](=O)[O-])cc1OCCC ZINC000489285085 903308618 /nfs/dbraw/zinc/30/86/18/903308618.db2.gz AAZCQIOYTRDJAS-UHFFFAOYSA-N 0 0 403.435 4.137 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc1[N+](=O)[O-] ZINC000489294143 903314438 /nfs/dbraw/zinc/31/44/38/903314438.db2.gz RGVROFVKSKRIKU-UHFFFAOYSA-N 0 0 406.851 4.361 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000489344753 903339633 /nfs/dbraw/zinc/33/96/33/903339633.db2.gz ZELMZSADARJRSH-VHKYSDTDSA-N 0 0 401.438 4.323 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000489375799 903351871 /nfs/dbraw/zinc/35/18/71/903351871.db2.gz VMPZOZYTQZPNMN-ZDUSSCGKSA-N 0 0 419.865 4.278 20 5 HIBDRN Cc1ccnc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2)n1 ZINC000489425372 903377761 /nfs/dbraw/zinc/37/77/61/903377761.db2.gz AWOKBRLGICBMFM-UHFFFAOYSA-N 0 0 400.341 4.214 20 5 HIBDRN Cc1nc2ccccc2c2c(NC(=O)Cc3ccc(C(N)=O)cc3)c3ccccc3n21 ZINC000489491267 903418362 /nfs/dbraw/zinc/41/83/62/903418362.db2.gz DFKKADDXSUOVLZ-UHFFFAOYSA-N 0 0 408.461 4.229 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)cc1SC ZINC000489626566 903504373 /nfs/dbraw/zinc/50/43/73/903504373.db2.gz RUWXAHJHTUFJFR-HNNXBMFYSA-N 0 0 418.368 4.498 20 5 HIBDRN Cc1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n(Cc2ccccc2)n1 ZINC000489634825 903510315 /nfs/dbraw/zinc/51/03/15/903510315.db2.gz UWKOAHXDSYNGIY-UHFFFAOYSA-N 0 0 405.458 4.345 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2cc3ccccc3o2)o1 ZINC000489692804 903543128 /nfs/dbraw/zinc/54/31/28/903543128.db2.gz VMCXNPLRIXRPHD-UHFFFAOYSA-N 0 0 410.411 4.430 20 5 HIBDRN O=C(NCc1cc(Br)ccc1F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489704713 903549128 /nfs/dbraw/zinc/54/91/28/903549128.db2.gz IEYWZLDFZAUBMN-UHFFFAOYSA-N 0 0 422.254 4.371 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2csc(Br)c2C)c(C)c([N+](=O)[O-])c1 ZINC000489744575 903571230 /nfs/dbraw/zinc/57/12/30/903571230.db2.gz LSIVVXCOCGDSSH-UHFFFAOYSA-N 0 0 413.249 4.075 20 5 HIBDRN COC(=O)c1cc(NC(=O)C(C)(C)Oc2cccc(Cl)c2)c(C)c([N+](=O)[O-])c1 ZINC000489752035 903579453 /nfs/dbraw/zinc/57/94/53/903579453.db2.gz JFEDIVMSEAGGCZ-UHFFFAOYSA-N 0 0 406.822 4.139 20 5 HIBDRN O=C(NCc1ccc(OC2CCCC2)nc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489811767 903608632 /nfs/dbraw/zinc/60/86/32/903608632.db2.gz UELYHJRDELJUMR-UHFFFAOYSA-N 0 0 410.474 4.185 20 5 HIBDRN CC(C)(NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000489839975 903623594 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VKUNLHWYXGJUQY-OAHLLOKOSA-N 0 0 414.531 4.057 20 5 HIBDRN COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000490041604 903738197 /nfs/dbraw/zinc/73/81/97/903738197.db2.gz NHCWQMMCEQCBPG-KRWDZBQOSA-N 0 0 402.838 4.118 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000490158904 903800322 /nfs/dbraw/zinc/80/03/22/903800322.db2.gz VHIJOBQBBQWHPF-CYBMUJFWSA-N 0 0 423.903 4.384 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000490159905 903801795 /nfs/dbraw/zinc/80/17/95/903801795.db2.gz UIJPENBYIWZWCD-ROUUACIJSA-N 0 0 405.454 4.364 20 5 HIBDRN COc1cc(C(=O)Nc2cnn(CCC(C)C)c2C(C)C)cc([N+](=O)[O-])c1OC ZINC000490203957 903826744 /nfs/dbraw/zinc/82/67/44/903826744.db2.gz NJEBEELLMYAMMM-UHFFFAOYSA-N 0 0 404.467 4.230 20 5 HIBDRN COc1ccc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC1CCCC1 ZINC000490275084 903868978 /nfs/dbraw/zinc/86/89/78/903868978.db2.gz QFEKTRXGDJOLOP-HNNXBMFYSA-N 0 0 413.474 4.485 20 5 HIBDRN 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20 5 HIBDRN Cc1c(CNC(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000490758570 904213552 /nfs/dbraw/zinc/21/35/52/904213552.db2.gz KFTXITMHSGPLSC-KRWDZBQOSA-N 0 0 406.364 4.487 20 5 HIBDRN O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(Cc1ccccc1)CC(F)(F)F ZINC000490825629 904270171 /nfs/dbraw/zinc/27/01/71/904270171.db2.gz KOMUBAGEQLZMFB-UHFFFAOYSA-N 0 0 421.419 4.150 20 5 HIBDRN C[C@@H]1CCN2[C@@H](C1)C(=O)N[C@@H]2c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000490910682 904314145 /nfs/dbraw/zinc/31/41/45/904314145.db2.gz ODZNSAPGWGRJFW-GFJSAUFNSA-N 0 0 401.850 4.269 20 5 HIBDRN Cc1cc(Br)c2c(c1)CN(C(=O)CSc1ccccc1[N+](=O)[O-])CC2 ZINC000490964758 904340492 /nfs/dbraw/zinc/34/04/92/904340492.db2.gz CFWXEHITLMVTMZ-UHFFFAOYSA-N 0 0 421.316 4.343 20 5 HIBDRN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000490993196 904355521 /nfs/dbraw/zinc/35/55/21/904355521.db2.gz XIIQZGKVKKAGKE-UHFFFAOYSA-N 0 0 406.320 4.241 20 5 HIBDRN 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CC(C)c1nc(-c2ccccc2NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000492637942 904881013 /nfs/dbraw/zinc/88/10/13/904881013.db2.gz YXIOXZRQMCMRIU-UHFFFAOYSA-N 0 0 408.462 4.334 20 5 HIBDRN O=C(c1nn(-c2ccccc2)c2c1CCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492777299 904902040 /nfs/dbraw/zinc/90/20/40/904902040.db2.gz XHQVONDJEBZAJT-UHFFFAOYSA-N 0 0 402.454 4.074 20 5 HIBDRN CC(C)c1ccc(CN2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC000492905723 904945457 /nfs/dbraw/zinc/94/54/57/904945457.db2.gz DMCSSMXXMAFIKC-UHFFFAOYSA-N 0 0 407.470 4.422 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000493003774 904981824 /nfs/dbraw/zinc/98/18/24/904981824.db2.gz NESNSXXTAWADAF-WBVHZDCISA-N 0 0 403.504 4.417 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1[N+](=O)[O-] ZINC000493033537 904994121 /nfs/dbraw/zinc/99/41/21/904994121.db2.gz OAKBQVYRSZZQOO-AWEZNQCLSA-N 0 0 422.938 4.207 20 5 HIBDRN 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ZINC000496512164 906697991 /nfs/dbraw/zinc/69/79/91/906697991.db2.gz DDQDEERGGJESTR-JOCHJYFZSA-N 0 0 415.453 4.426 20 5 HIBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc(OC)c1C(C)C ZINC000496670718 906732603 /nfs/dbraw/zinc/73/26/03/906732603.db2.gz OFGFBFONMRTAER-UHFFFAOYSA-N 0 0 420.487 4.072 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000496723537 906742895 /nfs/dbraw/zinc/74/28/95/906742895.db2.gz OGWQFUUIZFCUGW-UHFFFAOYSA-N 0 0 414.462 4.488 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCc3cccc(OC(F)F)c3)cc2[N+](=O)[O-])C1 ZINC000497045352 906796519 /nfs/dbraw/zinc/79/65/19/906796519.db2.gz CVURARRCJOBFPR-CQSZACIVSA-N 0 0 419.428 4.363 20 5 HIBDRN C/C=C/c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)cc1 ZINC000497339547 906840136 /nfs/dbraw/zinc/84/01/36/906840136.db2.gz ATVKVSGZZIEXIL-HWKANZROSA-N 0 0 410.474 4.381 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000497354120 906847501 /nfs/dbraw/zinc/84/75/01/906847501.db2.gz BFNWUKLJEIDEJV-UHFFFAOYSA-N 0 0 412.345 4.095 20 5 HIBDRN CCC1(CO)CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000497357274 906850316 /nfs/dbraw/zinc/85/03/16/906850316.db2.gz MCKCOXDRFLHKIJ-UHFFFAOYSA-N 0 0 400.500 4.371 20 5 HIBDRN COc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000497369407 906858158 /nfs/dbraw/zinc/85/81/58/906858158.db2.gz VUBOYRQAHLKSNL-SFHVURJKSA-N 0 0 418.352 4.317 20 5 HIBDRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000497417362 906892199 /nfs/dbraw/zinc/89/21/99/906892199.db2.gz MIHFRIWFKJTVFB-AUUYWEPGSA-N 0 0 411.506 4.148 20 5 HIBDRN CCn1c2ccccc2nc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000497460187 906936843 /nfs/dbraw/zinc/93/68/43/906936843.db2.gz IQIZJQBDDYHNHA-HNNXBMFYSA-N 0 0 407.474 4.453 20 5 HIBDRN CCC(CC)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000497483936 906965276 /nfs/dbraw/zinc/96/52/76/906965276.db2.gz SRYKEMKWMHULDE-UHFFFAOYSA-N 0 0 405.476 4.079 20 5 HIBDRN 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ZINC000497774439 907268377 /nfs/dbraw/zinc/26/83/77/907268377.db2.gz UIYDYBDMOWQZHZ-INIZCTEOSA-N 0 0 418.515 4.210 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000512775568 921309552 /nfs/dbraw/zinc/30/95/52/921309552.db2.gz YOROOMIVIVWHGK-UHFFFAOYSA-N 0 0 405.501 4.014 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000497803281 907287132 /nfs/dbraw/zinc/28/71/32/907287132.db2.gz BHDHMIIYJRSNRE-MRXNPFEDSA-N 0 0 424.375 4.157 20 5 HIBDRN COC(=O)c1ccc(OC(C)C)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000497807163 907291682 /nfs/dbraw/zinc/29/16/82/907291682.db2.gz JXMNDOZXODCZSP-UHFFFAOYSA-N 0 0 424.356 4.022 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000497808627 907294321 /nfs/dbraw/zinc/29/43/21/907294321.db2.gz JAJIJMXPZCZBQX-VJBWXMMDSA-N 0 0 423.513 4.132 20 5 HIBDRN O=C(NCC1(c2ccccc2Cl)CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497864381 907342191 /nfs/dbraw/zinc/34/21/91/907342191.db2.gz RQXVQLUJWZBFEA-UHFFFAOYSA-N 0 0 409.269 4.380 20 5 HIBDRN CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000497880486 907354993 /nfs/dbraw/zinc/35/49/93/907354993.db2.gz HDRVTRNEVXKFCE-HSZRJFAPSA-N 0 0 423.444 4.454 20 5 HIBDRN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497895699 907369388 /nfs/dbraw/zinc/36/93/88/907369388.db2.gz MQJAMFJPCNSCBP-UHFFFAOYSA-N 0 0 405.332 4.314 20 5 HIBDRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497910554 907381567 /nfs/dbraw/zinc/38/15/67/907381567.db2.gz KGBOBKNOGYISKI-LBPRGKRZSA-N 0 0 414.259 4.267 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc(-c2cccs2)ns1 ZINC000497976567 907449783 /nfs/dbraw/zinc/44/97/83/907449783.db2.gz RWYIHTPPFXKQNC-UHFFFAOYSA-N 0 0 418.503 4.373 20 5 HIBDRN O=C(Nc1nc(-c2cccs2)ns1)c1ccc([N+](=O)[O-])cc1Br ZINC000497979456 907454277 /nfs/dbraw/zinc/45/42/77/907454277.db2.gz FKIVWTLDHBEFPN-UHFFFAOYSA-N 0 0 411.262 4.190 20 5 HIBDRN O=C(NCc1ccco1)Nc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000498047020 907556552 /nfs/dbraw/zinc/55/65/52/907556552.db2.gz MLAWXBGAGWWVDK-UHFFFAOYSA-N 0 0 414.805 4.415 20 5 HIBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1cccc(C(F)(F)F)c1 ZINC000498064113 907575075 /nfs/dbraw/zinc/57/50/75/907575075.db2.gz DVSLKLZJNLPPPM-LLVKDONJSA-N 0 0 414.405 4.189 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000498071438 907578829 /nfs/dbraw/zinc/57/88/29/907578829.db2.gz JYEWBTKRZICFQW-UHFFFAOYSA-N 0 0 418.805 4.186 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC000498085487 907594165 /nfs/dbraw/zinc/59/41/65/907594165.db2.gz XEEZIIFDRJWKIA-NRFANRHFSA-N 0 0 416.437 4.199 20 5 HIBDRN Cc1cc(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccco1 ZINC000498126787 907644135 /nfs/dbraw/zinc/64/41/35/907644135.db2.gz WGFRLTXCBPSFJI-HNNXBMFYSA-N 0 0 422.441 4.496 20 5 HIBDRN 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COc1ccc([C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C2)cc1 ZINC000506664900 915341201 /nfs/dbraw/zinc/34/12/01/915341201.db2.gz SYGXAFJIGOYSSG-ZDUSSCGKSA-N 0 0 407.373 4.226 20 5 HIBDRN CCCN(C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(F)c(F)c1F ZINC000506776795 915495174 /nfs/dbraw/zinc/49/51/74/915495174.db2.gz ZEPUPSUCBWEYHR-ALCCZGGFSA-N 0 0 407.392 4.376 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(Sc3nnc(NC4CCCCC4)s3)cc2N1 ZINC000506811017 915566209 /nfs/dbraw/zinc/56/62/09/915566209.db2.gz AMFGUIUSGXPSLX-UHFFFAOYSA-N 0 0 405.505 4.227 20 5 HIBDRN C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1nc2ccccc2n1C(F)F ZINC000506810439 915566328 /nfs/dbraw/zinc/56/63/28/915566328.db2.gz BAOHSHDXRCPBSN-JTQLQIEISA-N 0 0 401.373 4.397 20 5 HIBDRN C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000506902063 915701714 /nfs/dbraw/zinc/70/17/14/915701714.db2.gz ZVVXBDFEJZCRTJ-AAEUAGOBSA-N 0 0 405.501 4.051 20 5 HIBDRN CCc1cccc2c1OCC[C@@H]2NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000507017946 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DLNQVSQUTWUHJC-UHFFFAOYSA-N 0 0 421.453 4.154 20 5 HIBDRN CC[C@@H](C)[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000513440111 921807951 /nfs/dbraw/zinc/80/79/51/921807951.db2.gz PWSYWMRWNNRWMT-XIKOKIGWSA-N 0 0 424.906 4.169 20 5 HIBDRN CN(CC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1)c1ccccc1[N+](=O)[O-] ZINC000507268157 916031633 /nfs/dbraw/zinc/03/16/33/916031633.db2.gz BFISHLCOHBVZEF-NRFANRHFSA-N 0 0 419.485 4.175 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c1[N+](=O)[O-] ZINC000507291030 916058526 /nfs/dbraw/zinc/05/85/26/916058526.db2.gz LVLHHDZFNWBGQH-MRXNPFEDSA-N 0 0 408.462 4.199 20 5 HIBDRN CCCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000507297047 916063674 /nfs/dbraw/zinc/06/36/74/916063674.db2.gz OQSXNIMTNBTHJC-SJORKVTESA-N 0 0 412.490 4.495 20 5 HIBDRN Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)nn2C(C)C)cc1[N+](=O)[O-] ZINC000507300316 916063943 /nfs/dbraw/zinc/06/39/43/916063943.db2.gz DJEAZZOXCVLMHJ-UHFFFAOYSA-N 0 0 400.460 4.148 20 5 HIBDRN C[C@H](NC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000507304359 916066776 /nfs/dbraw/zinc/06/67/76/916066776.db2.gz LJDRKEBCGXLVFO-VBKZILBWSA-N 0 0 403.866 4.010 20 5 HIBDRN O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000507330060 916087593 /nfs/dbraw/zinc/08/75/93/916087593.db2.gz ZLTLZGZHGKIKRU-IBGZPJMESA-N 0 0 410.405 4.197 20 5 HIBDRN COCc1cccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000507343060 916096048 /nfs/dbraw/zinc/09/60/48/916096048.db2.gz VRPGFQXNUFZYHS-MRXNPFEDSA-N 0 0 420.469 4.239 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000507369164 916126122 /nfs/dbraw/zinc/12/61/22/916126122.db2.gz LDXBYLKNWPCSCV-UHFFFAOYSA-N 0 0 422.510 4.481 20 5 HIBDRN Cc1cc([C@H]2CCCN2C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)on1 ZINC000507375254 916131478 /nfs/dbraw/zinc/13/14/78/916131478.db2.gz MTDRGCRFYHHAHC-DNVCBOLYSA-N 0 0 421.457 4.437 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCc2ccccc2O)cc1 ZINC000507386464 916145069 /nfs/dbraw/zinc/14/50/69/916145069.db2.gz BIYUKCNAEOOLLX-UHFFFAOYSA-N 0 0 408.410 4.074 20 5 HIBDRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)cc1[N+](=O)[O-] ZINC000507471121 916240160 /nfs/dbraw/zinc/24/01/60/916240160.db2.gz WZCGLHLOVBDXAY-ZDUSSCGKSA-N 0 0 410.517 4.143 20 5 HIBDRN C[C@@H](NC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] ZINC000507500665 916266824 /nfs/dbraw/zinc/26/68/24/916266824.db2.gz ZPOOONIMFKGXLF-CXAGYDPISA-N 0 0 412.471 4.049 20 5 HIBDRN CS(=O)(=O)c1cc(SCc2cc(F)cc(Br)c2)ccc1[N+](=O)[O-] ZINC000507600351 916354626 /nfs/dbraw/zinc/35/46/26/916354626.db2.gz NWJMFRNRDVHAAB-UHFFFAOYSA-N 0 0 420.281 4.192 20 5 HIBDRN O=C(N[C@H](c1nccs1)C(F)(F)F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000507604338 916360434 /nfs/dbraw/zinc/36/04/34/916360434.db2.gz HILVDHWAUFTXQG-CQSZACIVSA-N 0 0 408.361 4.147 20 5 HIBDRN Cc1oc(-c2cccs2)nc1CSc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000507624735 916384189 /nfs/dbraw/zinc/38/41/89/916384189.db2.gz BVDXSANZJWAXDM-UHFFFAOYSA-N 0 0 410.498 4.316 20 5 HIBDRN CC1CCN(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2[N+](=O)[O-])CC1 ZINC000507744788 916534722 /nfs/dbraw/zinc/53/47/22/916534722.db2.gz OMKXQDQNNHJSGF-UHFFFAOYSA-N 0 0 408.380 4.497 20 5 HIBDRN Cc1cc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cnc1N1CCCC[C@@H]1C ZINC000507824564 916620846 /nfs/dbraw/zinc/62/08/46/916620846.db2.gz JYKKAUCWGHZVIQ-AWEZNQCLSA-N 0 0 421.457 4.183 20 5 HIBDRN Cc1ccc(OC2CCN(c3nnc(-c4ccc([N+](=O)[O-])cc4)n3C)CC2)cc1C ZINC000507840437 916648398 /nfs/dbraw/zinc/64/83/98/916648398.db2.gz GMANGFOLEMKSAT-UHFFFAOYSA-N 0 0 407.474 4.055 20 5 HIBDRN CCOc1ccc(C2=CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000507970123 916821316 /nfs/dbraw/zinc/82/13/16/916821316.db2.gz YZTAOKBCSQQOAI-UHFFFAOYSA-N 0 0 422.890 4.125 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(CC1CCCCC1)c1ccccn1 ZINC000507970358 916821641 /nfs/dbraw/zinc/82/16/41/916821641.db2.gz VFEZYQRUWMFXDH-UHFFFAOYSA-N 0 0 405.458 4.403 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000507982455 916827695 /nfs/dbraw/zinc/82/76/95/916827695.db2.gz QBTSRLXATADARZ-UHFFFAOYSA-N 0 0 411.277 4.232 20 5 HIBDRN O=C(c1ccccc1)N1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000507995883 916837314 /nfs/dbraw/zinc/83/73/14/916837314.db2.gz AQIYZNSJPAIWMI-UHFFFAOYSA-N 0 0 422.510 4.066 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(-c3cc(Br)cnc3OCC3CC3)n2)c1 ZINC000508044394 916873845 /nfs/dbraw/zinc/87/38/45/916873845.db2.gz ZOMZOZXYDAMJQV-UHFFFAOYSA-N 0 0 417.219 4.258 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000508107278 916922472 /nfs/dbraw/zinc/92/24/72/916922472.db2.gz WWUBQKPHZGTKFE-ZGKFYVQTSA-N 0 0 403.438 4.226 20 5 HIBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCc1nc(-c2ccco2)no1 ZINC000508159682 916981598 /nfs/dbraw/zinc/98/15/98/916981598.db2.gz GXRNMXJMSNMAPO-UHFFFAOYSA-N 0 0 417.175 4.128 20 5 HIBDRN COC(=O)c1sccc1COc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000508164620 916987003 /nfs/dbraw/zinc/98/70/03/916987003.db2.gz QYXASNOPQKRZNE-UHFFFAOYSA-N 0 0 423.244 4.333 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C ZINC000508183238 917004819 /nfs/dbraw/zinc/00/48/19/917004819.db2.gz OTWJWJXGNJJOOH-KRWDZBQOSA-N 0 0 403.866 4.051 20 5 HIBDRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccc(NC5CC5)c([N+](=O)[O-])c4)C3)nc2c1 ZINC000508256010 917074644 /nfs/dbraw/zinc/07/46/44/917074644.db2.gz UFQRWOGEHDJLBO-INIZCTEOSA-N 0 0 419.485 4.374 20 5 HIBDRN CCCC(CCC)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000508400388 917192607 /nfs/dbraw/zinc/19/26/07/917192607.db2.gz BKEAHUQEJFBPFY-UHFFFAOYSA-N 0 0 411.505 4.039 20 5 HIBDRN COC(=O)c1occc1CN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@@H](C)c1ccccn1 ZINC000508508624 917294780 /nfs/dbraw/zinc/29/47/80/917294780.db2.gz RCVGXURXLBZZEC-HNNXBMFYSA-N 0 0 423.425 4.081 20 5 HIBDRN O=C(COc1ccc(Cl)c(F)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000508519995 917304306 /nfs/dbraw/zinc/30/43/06/917304306.db2.gz NBXDDQFWHWPLCJ-UHFFFAOYSA-N 0 0 406.719 4.101 20 5 HIBDRN O=[N+]([O-])c1cccc(CCc2nc(Cc3cc(F)cc(Br)c3)no2)c1 ZINC000508589024 917360976 /nfs/dbraw/zinc/36/09/76/917360976.db2.gz QJDUALFPJJBXMU-UHFFFAOYSA-N 0 0 406.211 4.255 20 5 HIBDRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)cc2s1 ZINC000508957610 917714443 /nfs/dbraw/zinc/71/44/43/917714443.db2.gz BUKLVJGSYIUCRZ-UHFFFAOYSA-N 0 0 414.443 4.204 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000508988562 917743770 /nfs/dbraw/zinc/74/37/70/917743770.db2.gz SRZYOAQVOZSXML-UHFFFAOYSA-N 0 0 419.275 4.101 20 5 HIBDRN CC(C)(NC(=O)NCc1c(F)cccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000509019175 917773873 /nfs/dbraw/zinc/77/38/73/917773873.db2.gz VPFGMTJBDQZADM-UHFFFAOYSA-N 0 0 400.454 4.069 20 5 HIBDRN COc1ccc([C@@H]2CCCCCN2C(=O)COc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000509053199 917802692 /nfs/dbraw/zinc/80/26/92/917802692.db2.gz MQBCQJCCQUWAKJ-IBGZPJMESA-N 0 0 414.458 4.135 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccccc1 ZINC000509060021 917807549 /nfs/dbraw/zinc/80/75/49/917807549.db2.gz ICQBRDATICUTPN-GFCCVEGCSA-N 0 0 424.238 4.341 20 5 HIBDRN O=C(Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cc1 ZINC000509085283 917828018 /nfs/dbraw/zinc/82/80/18/917828018.db2.gz XTOWAAMNVOYSKR-UHFFFAOYSA-N 0 0 417.377 4.087 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)Cc1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000509121376 917855545 /nfs/dbraw/zinc/85/55/45/917855545.db2.gz IBZBMKLMFVDCTP-AWEZNQCLSA-N 0 0 410.879 4.051 20 5 HIBDRN CCOc1cc(NC(=O)CCc2ncc(C(C)(C)C)o2)c([N+](=O)[O-])cc1OCC ZINC000509125631 917858097 /nfs/dbraw/zinc/85/80/97/917858097.db2.gz SCQYQZNWBHANNO-UHFFFAOYSA-N 0 0 405.451 4.249 20 5 HIBDRN CO[C@H](CSc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000509145749 917869117 /nfs/dbraw/zinc/86/91/17/917869117.db2.gz CSXIKRLQXYQDEZ-OAHLLOKOSA-N 0 0 401.893 4.132 20 5 HIBDRN CC(C)c1ccc([C@@H](NC(=O)CS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000509146646 917869220 /nfs/dbraw/zinc/86/92/20/917869220.db2.gz NLMQHGQFXUEDBY-NRFANRHFSA-N 0 0 418.515 4.005 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)s1 ZINC000509170084 917884245 /nfs/dbraw/zinc/88/42/45/917884245.db2.gz RRIQTZLGSMQPQD-UHFFFAOYSA-N 0 0 404.872 4.050 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000509197272 917901330 /nfs/dbraw/zinc/90/13/30/917901330.db2.gz QIVXOOPDQVQWQI-KGLIPLIRSA-N 0 0 420.560 4.403 20 5 HIBDRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000509234505 917929968 /nfs/dbraw/zinc/92/99/68/917929968.db2.gz KYWKAPDERHJZER-OAHLLOKOSA-N 0 0 414.462 4.011 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000509288995 917971041 /nfs/dbraw/zinc/97/10/41/917971041.db2.gz LFVCUFPCKOQOBO-UHFFFAOYSA-N 0 0 416.484 4.475 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000509310801 917987404 /nfs/dbraw/zinc/98/74/04/917987404.db2.gz RFGLQHRWHBAAJR-UHFFFAOYSA-N 0 0 412.490 4.431 20 5 HIBDRN O=C(NC[C@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1)Nc1cccc(F)c1 ZINC000509389954 918056718 /nfs/dbraw/zinc/05/67/18/918056718.db2.gz VPPXBBSEYBDIND-CYBMUJFWSA-N 0 0 422.407 4.046 20 5 HIBDRN C[C@H](Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccncc1F ZINC000509436920 918093147 /nfs/dbraw/zinc/09/31/47/918093147.db2.gz FNVOQZNYOAEXRQ-ZDUSSCGKSA-N 0 0 416.434 4.103 20 5 HIBDRN COc1cc(C(=O)NCCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000509450477 918103470 /nfs/dbraw/zinc/10/34/70/918103470.db2.gz LIWYMCRFXPZSMJ-UHFFFAOYSA-N 0 0 422.428 4.475 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000509463542 918112906 /nfs/dbraw/zinc/11/29/06/918112906.db2.gz LITRQGAGWMSVEI-MRXNPFEDSA-N 0 0 422.407 4.118 20 5 HIBDRN CCOc1cc(CNc2ccc(Cl)c(F)c2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000509496955 918143248 /nfs/dbraw/zinc/14/32/48/918143248.db2.gz XLSGRXMXDBWZJN-UHFFFAOYSA-N 0 0 409.845 4.235 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CCC[C@@](CO)(c3ccccc3)C2)nc1OCc1ccccc1 ZINC000509507212 918153631 /nfs/dbraw/zinc/15/36/31/918153631.db2.gz MAVZQHKSAFNFJK-XMMPIXPASA-N 0 0 419.481 4.099 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CCC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000509507838 918155848 /nfs/dbraw/zinc/15/58/48/918155848.db2.gz BFKOODUAUWMFPQ-VWLOTQADSA-N 0 0 416.477 4.356 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000509649591 918287340 /nfs/dbraw/zinc/28/73/40/918287340.db2.gz DZFQDVFUUCBZPR-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN Cc1c(Br)cc(C(=O)NCc2coc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000509657722 918293354 /nfs/dbraw/zinc/29/33/54/918293354.db2.gz YKVROWOBLWKULQ-UHFFFAOYSA-N 0 0 422.260 4.312 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000509677471 918309673 /nfs/dbraw/zinc/30/96/73/918309673.db2.gz BFXMOHOUGRFQOW-GWCFXTLKSA-N 0 0 420.796 4.101 20 5 HIBDRN CC[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000509683066 918313125 /nfs/dbraw/zinc/31/31/25/918313125.db2.gz SZOLYLLKKXXPSL-KRWDZBQOSA-N 0 0 401.463 4.298 20 5 HIBDRN COCCn1cc2c(n1)[C@@H](NC(=O)c1cc3ccccc3c3cccnc13)CCC2 ZINC000509690580 918321412 /nfs/dbraw/zinc/32/14/12/918321412.db2.gz IONDPHVSWLRWEX-NRFANRHFSA-N 0 0 400.482 4.038 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)COc1ccc(F)cc1F ZINC000509762917 918377062 /nfs/dbraw/zinc/37/70/62/918377062.db2.gz PCAKDJXPYBAIAN-CQSZACIVSA-N 0 0 407.417 4.261 20 5 HIBDRN Cc1oc2ncnc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)c2c1C ZINC000509817717 918420421 /nfs/dbraw/zinc/42/04/21/918420421.db2.gz CRAHDTOVUKXQQM-UHFFFAOYSA-N 0 0 405.208 4.071 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccnc(Oc3ccccc3)c2)cc([N+](=O)[O-])c1 ZINC000509843419 918446651 /nfs/dbraw/zinc/44/66/51/918446651.db2.gz TVCKFLNCJDUNLJ-UHFFFAOYSA-N 0 0 407.382 4.211 20 5 HIBDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000509848533 918451583 /nfs/dbraw/zinc/45/15/83/918451583.db2.gz HZGGKXVWMFYADS-QGZVFWFLSA-N 0 0 421.501 4.344 20 5 HIBDRN CC(C)(C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000509885976 918487483 /nfs/dbraw/zinc/48/74/83/918487483.db2.gz SQRVELMQKDWKKO-GFCCVEGCSA-N 0 0 416.259 4.240 20 5 HIBDRN C[C@@H](NC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000509889244 918491268 /nfs/dbraw/zinc/49/12/68/918491268.db2.gz XPQFAIPEDDFIMQ-IXDOHACOSA-N 0 0 412.490 4.087 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCO[C@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000509897347 918498723 /nfs/dbraw/zinc/49/87/23/918498723.db2.gz IUFXMXSEHOSMQC-KRWDZBQOSA-N 0 0 423.238 4.019 20 5 HIBDRN COc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(OC)c1OC ZINC000509916562 918516382 /nfs/dbraw/zinc/51/63/82/918516382.db2.gz QWUGDINHCDNHIC-UHFFFAOYSA-N 0 0 403.435 4.063 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1[N+](=O)[O-] ZINC000509926695 918525413 /nfs/dbraw/zinc/52/54/13/918525413.db2.gz NJESJTPPMNKAPJ-SFHVURJKSA-N 0 0 410.430 4.281 20 5 HIBDRN Cc1ccc(O[C@@H](C)C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c(Br)c1 ZINC000509966650 918557162 /nfs/dbraw/zinc/55/71/62/918557162.db2.gz HJUUGFQKVJDQQH-ZDUSSCGKSA-N 0 0 419.275 4.412 20 5 HIBDRN CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccncc1 ZINC000509983488 918570383 /nfs/dbraw/zinc/57/03/83/918570383.db2.gz QYEJGTDGFGOVNY-UHFFFAOYSA-N 0 0 422.407 4.278 20 5 HIBDRN O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000509997915 918583461 /nfs/dbraw/zinc/58/34/61/918583461.db2.gz RZWAGPIDRQTZEZ-FQEVSTJZSA-N 0 0 404.401 4.255 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccc(-n3cccn3)c(F)c2)cc1[N+](=O)[O-] ZINC000510004055 918585993 /nfs/dbraw/zinc/58/59/93/918585993.db2.gz CQPZMCAEDHSRCH-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000510003442 918586521 /nfs/dbraw/zinc/58/65/21/918586521.db2.gz 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O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(F)c(Br)cc1F ZINC000510127419 918685894 /nfs/dbraw/zinc/68/58/94/918685894.db2.gz GUPWNWBZKCPWGL-UHFFFAOYSA-N 0 0 400.179 4.076 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(-n4cccn4)c(F)c3)cc2[N+](=O)[O-])C1 ZINC000510128597 918687383 /nfs/dbraw/zinc/68/73/83/918687383.db2.gz CBHCBWUPZSJFBW-HNNXBMFYSA-N 0 0 423.448 4.408 20 5 HIBDRN COc1ccc(Cl)cc1N(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000510155798 918708229 /nfs/dbraw/zinc/70/82/29/918708229.db2.gz FTRAMIBGWXUZQJ-UHFFFAOYSA-N 0 0 405.259 4.044 20 5 HIBDRN COc1ccc(C[C@@H](C)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC ZINC000510187906 918737229 /nfs/dbraw/zinc/73/72/29/918737229.db2.gz UNVCLSZIAAPZQT-MRXNPFEDSA-N 0 0 400.475 4.228 20 5 HIBDRN CCn1c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)nc2cc(Br)ccc21 ZINC000510191113 918740364 /nfs/dbraw/zinc/74/03/64/918740364.db2.gz GOYQBKDEQQLCHX-UHFFFAOYSA-N 0 0 409.265 4.349 20 5 HIBDRN O=C(Nc1cc(F)c(Br)cc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000510202392 918752559 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408.414 4.001 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N(C)[C@@H](C)c2ccncc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000520769786 928809168 /nfs/dbraw/zinc/80/91/68/928809168.db2.gz MMLFQKYRQNFTKA-CVEARBPZSA-N 0 0 405.458 4.391 20 5 HIBDRN Cc1nn(CCC(=O)NCc2ccccc2Oc2cccc(F)c2)c(C)c1[N+](=O)[O-] ZINC000520805710 928826769 /nfs/dbraw/zinc/82/67/69/928826769.db2.gz VOYMIKNCZADOQI-UHFFFAOYSA-N 0 0 412.421 4.046 20 5 HIBDRN Cn1c2ccccc2nc1[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000520968170 928894092 /nfs/dbraw/zinc/89/40/92/928894092.db2.gz YSHROAAYXLAXKJ-FQEVSTJZSA-N 0 0 404.401 4.140 20 5 HIBDRN CC[C@@H](C)[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc2ccccc2[nH]1 ZINC000520970932 928895916 /nfs/dbraw/zinc/89/59/16/928895916.db2.gz LNGKYXUNYQPVLG-SPLOXXLWSA-N 0 0 405.458 4.329 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000520971333 928896045 /nfs/dbraw/zinc/89/60/45/928896045.db2.gz GFGFJIYWURKXLM-LLVKDONJSA-N 0 0 420.256 4.316 20 5 HIBDRN COc1ccc(CC(=O)Nc2ccc(NCCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000521018711 928935847 /nfs/dbraw/zinc/93/58/47/928935847.db2.gz UWEWYTLKIUSNBA-UHFFFAOYSA-N 0 0 405.454 4.439 20 5 HIBDRN O=C(Nc1cccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c1)[C@H]1CCCO1 ZINC000521075918 928975899 /nfs/dbraw/zinc/97/58/99/928975899.db2.gz ZQCBACSCUXDUAH-OAQYLSRUSA-N 0 0 423.469 4.302 20 5 HIBDRN CCc1nc([C@@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 ZINC000521081913 928980910 /nfs/dbraw/zinc/98/09/10/928980910.db2.gz CROXWZPLMNZWHR-SNVBAGLBSA-N 0 0 416.425 4.312 20 5 HIBDRN CC[C@H](c1ccccc1)N(CC(C)C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000521112771 929001906 /nfs/dbraw/zinc/00/19/06/929001906.db2.gz GKHHFUYZIPGLGY-OAQYLSRUSA-N 0 0 407.474 4.425 20 5 HIBDRN CCN(CC)C(=O)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000521148948 929025635 /nfs/dbraw/zinc/02/56/35/929025635.db2.gz SEYBSMGJRXNKBO-UHFFFAOYSA-N 0 0 415.515 4.124 20 5 HIBDRN CC[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc(-c2ccccc2)c[nH]1 ZINC000521173512 929043149 /nfs/dbraw/zinc/04/31/49/929043149.db2.gz REUUNASQTQEUNW-SFHVURJKSA-N 0 0 403.442 4.207 20 5 HIBDRN COc1ccc(CC(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000521231946 929069956 /nfs/dbraw/zinc/06/99/56/929069956.db2.gz YFHAVSGBUQFBEG-UHFFFAOYSA-N 0 0 410.430 4.266 20 5 HIBDRN CC1CCC(OC2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)CC1 ZINC000521255356 929085755 /nfs/dbraw/zinc/08/57/55/929085755.db2.gz BSFQTQCYRQMHKG-UHFFFAOYSA-N 0 0 400.479 4.205 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000521263642 929089274 /nfs/dbraw/zinc/08/92/74/929089274.db2.gz KEYVXNSYXGOQTH-LEWJYISDSA-N 0 0 401.466 4.200 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000521284122 929099691 /nfs/dbraw/zinc/09/96/91/929099691.db2.gz GNLGTBYYFZXIMX-UHFFFAOYSA-N 0 0 410.451 4.129 20 5 HIBDRN CCOc1ccccc1NC(=O)Cc1noc([C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000521313810 929125451 /nfs/dbraw/zinc/12/54/51/929125451.db2.gz BFVXKRDLBDNMHT-INIZCTEOSA-N 0 0 424.457 4.294 20 5 HIBDRN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CSc3ccccc32)c1 ZINC000521319639 929131569 /nfs/dbraw/zinc/13/15/69/929131569.db2.gz FNANYGAPYZSVMS-AWEZNQCLSA-N 0 0 412.252 4.136 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(N3CCC[C@H]3[C@H]3CCCO3)n2Cc2ccccc2)cc1 ZINC000521323827 929137253 /nfs/dbraw/zinc/13/72/53/929137253.db2.gz WYFHYXDGIZNSMV-LEWJYISDSA-N 0 0 419.485 4.049 20 5 HIBDRN COC(=O)CCSCc1cccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000521339883 929155229 /nfs/dbraw/zinc/15/52/29/929155229.db2.gz ZLQMZANCTOUFGC-AWEZNQCLSA-N 0 0 402.472 4.133 20 5 HIBDRN O=C(Nc1cccc(COCc2ccco2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521380621 929197101 /nfs/dbraw/zinc/19/71/01/929197101.db2.gz JQBMTTDUUHJJET-UHFFFAOYSA-N 0 0 418.409 4.343 20 5 HIBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1Cl ZINC000521456944 929230089 /nfs/dbraw/zinc/23/00/89/929230089.db2.gz UOPBHNAEFNKKGR-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN CC[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000521489334 929248146 /nfs/dbraw/zinc/24/81/46/929248146.db2.gz HIRFDZGYBARQTN-LBPRGKRZSA-N 0 0 403.382 4.182 20 5 HIBDRN O=C(NCCOc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000521568829 929302932 /nfs/dbraw/zinc/30/29/32/929302932.db2.gz PRXSJFICBPKVTF-UHFFFAOYSA-N 0 0 414.643 4.211 20 5 HIBDRN Cc1nc2ccccc2c2c(NC(=O)COc3ccc(C(N)=O)cc3)c3ccccc3n21 ZINC000521644589 929340804 /nfs/dbraw/zinc/34/08/04/929340804.db2.gz WYMOQIMZTDFCLB-UHFFFAOYSA-N 0 0 424.460 4.066 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1cc3c(cc1[N+](=O)[O-])CCC(=O)N3)O[C@@H](C)C2 ZINC000521672645 929359832 /nfs/dbraw/zinc/35/98/32/929359832.db2.gz QCAHOAMWWZPYOM-XLWVJDPXSA-N 0 0 423.469 4.170 20 5 HIBDRN CC(C)OCCOCc1cccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000521680038 929361835 /nfs/dbraw/zinc/36/18/35/929361835.db2.gz SFBYECJWQRIQDE-UHFFFAOYSA-N 0 0 401.463 4.200 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000521772704 929435076 /nfs/dbraw/zinc/43/50/76/929435076.db2.gz OBWQNQYLRXGELD-LLVKDONJSA-N 0 0 418.393 4.004 20 5 HIBDRN CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000521789871 929448094 /nfs/dbraw/zinc/44/80/94/929448094.db2.gz NBQXYFKNISXPNB-QGZVFWFLSA-N 0 0 411.502 4.297 20 5 HIBDRN O=C(c1ccc(F)cc1)c1ccc(O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000521839376 929491606 /nfs/dbraw/zinc/49/16/06/929491606.db2.gz WSAITQJKQWKPGB-OAQYLSRUSA-N 0 0 420.396 4.149 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000521876502 929523939 /nfs/dbraw/zinc/52/39/39/929523939.db2.gz ILYUHSDKSAIQBI-NRFANRHFSA-N 0 0 418.453 4.275 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cn2cnc3ccccc32)cc1 ZINC000521889052 929538247 /nfs/dbraw/zinc/53/82/47/929538247.db2.gz YSSWMHLBWOPTPN-UHFFFAOYSA-N 0 0 422.466 4.102 20 5 HIBDRN COc1cc(-c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)ccc1OC(F)F ZINC000521891238 929538977 /nfs/dbraw/zinc/53/89/77/929538977.db2.gz KBPWJTFIUSPNEG-UHFFFAOYSA-N 0 0 420.372 4.300 20 5 HIBDRN COc1cc(OCc2nc(-c3ccc(Oc4ccccc4)nc3)no2)ccc1[N+](=O)[O-] ZINC000521911323 929556757 /nfs/dbraw/zinc/55/67/57/929556757.db2.gz LFPDMYDPFUTBQG-UHFFFAOYSA-N 0 0 420.381 4.420 20 5 HIBDRN Cc1nn(CCC(=O)Nc2c3ccccc3oc2C(=O)c2ccco2)c(C)c1[N+](=O)[O-] ZINC000521955961 929590580 /nfs/dbraw/zinc/59/05/80/929590580.db2.gz BRLRXENVIYUZEW-UHFFFAOYSA-N 0 0 422.397 4.007 20 5 HIBDRN Cc1c[nH]c(=O)n1-c1cccc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC000522003185 929617203 /nfs/dbraw/zinc/61/72/03/929617203.db2.gz CJGJLMMPUQFFSD-UHFFFAOYSA-N 0 0 423.404 4.310 20 5 HIBDRN CC[C@H](c1ccccc1)N(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000522056614 929625155 /nfs/dbraw/zinc/62/51/55/929625155.db2.gz AFABHBJZYUHLPP-GOSISDBHSA-N 0 0 406.504 4.401 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)CCC2CCCCC2)ccc1[N+](=O)[O-] ZINC000524514434 929660732 /nfs/dbraw/zinc/66/07/32/929660732.db2.gz ALVSAAKLTLXAEH-LAUBAEHRSA-N 0 0 415.534 4.373 20 5 HIBDRN CNc1ccc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000524546592 929677255 /nfs/dbraw/zinc/67/72/55/929677255.db2.gz IZCFVRCMCUZJGB-GDLZYMKVSA-N 0 0 409.467 4.197 20 5 HIBDRN C[C@@H](c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1)N1CCOCC1 ZINC000524553837 929682658 /nfs/dbraw/zinc/68/26/58/929682658.db2.gz UJMUNVZDKYGYIG-AWEZNQCLSA-N 0 0 411.483 4.455 20 5 HIBDRN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000524574742 929695006 /nfs/dbraw/zinc/69/50/06/929695006.db2.gz WBCRIHWWVNDSRM-BYCMXARLSA-N 0 0 421.284 4.113 20 5 HIBDRN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000524610901 929720011 /nfs/dbraw/zinc/72/00/11/929720011.db2.gz MSPXCGKCJHFYDX-CQSZACIVSA-N 0 0 409.345 4.008 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000524614884 929723688 /nfs/dbraw/zinc/72/36/88/929723688.db2.gz FRERPBDNWHABBC-QFIPXVFZSA-N 0 0 406.438 4.048 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c1 ZINC000524665553 929780032 /nfs/dbraw/zinc/78/00/32/929780032.db2.gz ZBKTTWQMIRLLPO-UHFFFAOYSA-N 0 0 424.478 4.271 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)c1 ZINC000524667512 929782569 /nfs/dbraw/zinc/78/25/69/929782569.db2.gz FOUYBJIWOKFKBW-UHFFFAOYSA-N 0 0 401.422 4.358 20 5 HIBDRN O=C(Cc1n[nH]c(=O)c2ccccc12)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000524769803 929824483 /nfs/dbraw/zinc/82/44/83/929824483.db2.gz DTJPQHBPIDUUAH-UHFFFAOYSA-N 0 0 414.421 4.020 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)Cn1ccnc1 ZINC000524814259 929840746 /nfs/dbraw/zinc/84/07/46/929840746.db2.gz JNQMUYNVIGNVJV-AWEZNQCLSA-N 0 0 414.849 4.303 20 5 HIBDRN COc1ccc(CSCC(=O)NC2(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000524842045 929854116 /nfs/dbraw/zinc/85/41/16/929854116.db2.gz SIMNRTSELLLKAQ-UHFFFAOYSA-N 0 0 406.891 4.296 20 5 HIBDRN CCCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000524860729 929862396 /nfs/dbraw/zinc/86/23/96/929862396.db2.gz SWOUVSQBGASHML-WOJBJXKFSA-N 0 0 420.506 4.202 20 5 HIBDRN COc1cc(C(=O)NC[C@H](C)C[C@@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000524878917 929869767 /nfs/dbraw/zinc/86/97/67/929869767.db2.gz XFHZTEKCDDZYRX-CHWSQXEVSA-N 0 0 422.865 4.186 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000524950906 929911954 /nfs/dbraw/zinc/91/19/54/929911954.db2.gz FFHLLCFNMICZAM-UHFFFAOYSA-N 0 0 403.276 4.470 20 5 HIBDRN O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000524964952 929929364 /nfs/dbraw/zinc/92/93/64/929929364.db2.gz GQMKQQCUNMFGPA-MRXNPFEDSA-N 0 0 424.766 4.467 20 5 HIBDRN COc1cccc(Oc2ncccc2CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000524975588 929940730 /nfs/dbraw/zinc/94/07/30/929940730.db2.gz RDOHYLDWJSTYND-UHFFFAOYSA-N 0 0 418.409 4.202 20 5 HIBDRN COc1cccc(Oc2ncccc2CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000524975889 929941671 /nfs/dbraw/zinc/94/16/71/929941671.db2.gz USXZEOIYVFJXHR-UHFFFAOYSA-N 0 0 418.409 4.202 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000525011181 929972059 /nfs/dbraw/zinc/97/20/59/929972059.db2.gz DSBFIJAOAFKFIR-UHFFFAOYSA-N 0 0 408.785 4.462 20 5 HIBDRN CCOc1cc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c([N+](=O)[O-])cc1OCC ZINC000525014554 929975092 /nfs/dbraw/zinc/97/50/92/929975092.db2.gz LZGYRFOYKNLHFR-GXTWGEPZSA-N 0 0 406.385 4.413 20 5 HIBDRN CCc1nc(C)c([C@H](C)N(C)C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000525046882 930001271 /nfs/dbraw/zinc/00/12/71/930001271.db2.gz GQEIOQPVMZSYSZ-ZDUSSCGKSA-N 0 0 423.560 4.384 20 5 HIBDRN C/C=C\c1ccc(OCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000525102798 930036928 /nfs/dbraw/zinc/03/69/28/930036928.db2.gz YMERWGCIPJZAHH-YOXWTLATSA-N 0 0 414.483 4.290 20 5 HIBDRN Cc1nnc(Sc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c(C)c2)s1 ZINC000525142143 930059719 /nfs/dbraw/zinc/05/97/19/930059719.db2.gz BPDYJJCKYLHGRY-UHFFFAOYSA-N 0 0 400.485 4.396 20 5 HIBDRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000525146190 930063489 /nfs/dbraw/zinc/06/34/89/930063489.db2.gz AYQTXRHPUOXYST-QFIPXVFZSA-N 0 0 408.429 4.385 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1 ZINC000525155689 930069890 /nfs/dbraw/zinc/06/98/90/930069890.db2.gz WJVBFXDPFFTTMO-UHFFFAOYSA-N 0 0 415.449 4.287 20 5 HIBDRN CSc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1[N+](=O)[O-] ZINC000525216794 930089634 /nfs/dbraw/zinc/08/96/34/930089634.db2.gz RJOVLBBTOHIYNY-UHFFFAOYSA-N 0 0 402.863 4.467 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000525239488 930100405 /nfs/dbraw/zinc/10/04/05/930100405.db2.gz SZSOOWMZBAZRES-UHFFFAOYSA-N 0 0 419.210 4.068 20 5 HIBDRN Cc1ccc(NCCCNC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000525319650 930158645 /nfs/dbraw/zinc/15/86/45/930158645.db2.gz JTRJMRMIHOJEEN-CQSZACIVSA-N 0 0 406.433 4.386 20 5 HIBDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000525322158 930160134 /nfs/dbraw/zinc/16/01/34/930160134.db2.gz GSGGQUXJKCYLNI-CQSZACIVSA-N 0 0 405.524 4.181 20 5 HIBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1ccncc1 ZINC000525355542 930193158 /nfs/dbraw/zinc/19/31/58/930193158.db2.gz WOUXFVFGXCKPHD-JOCHJYFZSA-N 0 0 404.470 4.401 20 5 HIBDRN CC[C@H](C)c1ccc(N(Cc2ccon2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000525364218 930197817 /nfs/dbraw/zinc/19/78/17/930197817.db2.gz ZKQSVJVHLQLPLD-HNNXBMFYSA-N 0 0 415.471 4.492 20 5 HIBDRN O=C(C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1)N(Cc1ccccc1)C1CC1 ZINC000525461356 930254488 /nfs/dbraw/zinc/25/44/88/930254488.db2.gz QMDVKXGMSBLNQI-UHFFFAOYSA-N 0 0 414.893 4.051 20 5 HIBDRN Cc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC1CCOCC1 ZINC000525461133 930254951 /nfs/dbraw/zinc/25/49/51/930254951.db2.gz FSPWXPWUKYQGRH-MRXNPFEDSA-N 0 0 413.474 4.148 20 5 HIBDRN Cc1c(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC000525466815 930258177 /nfs/dbraw/zinc/25/81/77/930258177.db2.gz LRGNZBKMUMBQJP-UHFFFAOYSA-N 0 0 403.276 4.470 20 5 HIBDRN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562397120 945069615 /nfs/dbraw/zinc/06/96/15/945069615.db2.gz GBRCBHDSLFFWNE-CYBMUJFWSA-N 0 0 400.385 4.168 20 5 HIBDRN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000525500131 930286033 /nfs/dbraw/zinc/28/60/33/930286033.db2.gz PMKUTSINNASDHW-UHFFFAOYSA-N 0 0 422.459 4.010 20 5 HIBDRN Cc1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1OCC1CCOCC1 ZINC000525506896 930290601 /nfs/dbraw/zinc/29/06/01/930290601.db2.gz NTUKXNWKRXDNOV-UHFFFAOYSA-N 0 0 413.474 4.373 20 5 HIBDRN COc1cccc(Oc2ncccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000525509147 930292471 /nfs/dbraw/zinc/29/24/71/930292471.db2.gz RLZGSAMCKIQTDE-UHFFFAOYSA-N 0 0 408.414 4.421 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc([N+](=O)[O-])c1OC ZINC000525521245 930299006 /nfs/dbraw/zinc/29/90/06/930299006.db2.gz ORQZSVCSYBOCQQ-UHFFFAOYSA-N 0 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Cc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccc(C)cc1 ZINC000525729144 930417887 /nfs/dbraw/zinc/41/78/87/930417887.db2.gz CBPSXSXXJAEACA-UHFFFAOYSA-N 0 0 420.469 4.081 20 5 HIBDRN Cc1ccc(C(C)C)cc1OCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000525729633 930418032 /nfs/dbraw/zinc/41/80/32/930418032.db2.gz ISNUUPBRAJVIDL-UHFFFAOYSA-N 0 0 412.486 4.475 20 5 HIBDRN O=C(NCc1ncc(-c2ccccc2)o1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000525767424 930437101 /nfs/dbraw/zinc/43/71/01/930437101.db2.gz PRYBMALFXKOMKY-UHFFFAOYSA-N 0 0 422.441 4.003 20 5 HIBDRN CNc1ccc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)cc1[N+](=O)[O-] ZINC000525775564 930440441 /nfs/dbraw/zinc/44/04/41/930440441.db2.gz YJLAPKLGRFQYNS-UHFFFAOYSA-N 0 0 401.473 4.129 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000525797589 930447898 /nfs/dbraw/zinc/44/78/98/930447898.db2.gz NLDZLPBIDJLDOW-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN CC(C)(C(=O)NCc1c(F)cccc1OC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000526022191 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412.345 4.243 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000530405681 930702571 /nfs/dbraw/zinc/70/25/71/930702571.db2.gz JAGOUTLSDFXQNU-HXUWFJFHSA-N 0 0 424.432 4.257 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000530408743 930704082 /nfs/dbraw/zinc/70/40/82/930704082.db2.gz KFFLIHZLFLCNRY-FUHWJXTLSA-N 0 0 406.845 4.263 20 5 HIBDRN COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c2ccccc21 ZINC000530500560 930726726 /nfs/dbraw/zinc/72/67/26/930726726.db2.gz GNHJKNAIJIEPEF-IBGZPJMESA-N 0 0 418.405 4.304 20 5 HIBDRN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000530590476 930761442 /nfs/dbraw/zinc/76/14/42/930761442.db2.gz QYSKGHQYWKHRDO-UHFFFAOYSA-N 0 0 423.391 4.065 20 5 HIBDRN C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)Oc1ccccc1Br ZINC000530658738 930788770 /nfs/dbraw/zinc/78/87/70/930788770.db2.gz QJWGBMWVWYPISA-LLVKDONJSA-N 0 0 418.247 4.036 20 5 HIBDRN O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000530671074 930793718 /nfs/dbraw/zinc/79/37/18/930793718.db2.gz GSMHLJBENLWSHC-OAQYLSRUSA-N 0 0 411.458 4.064 20 5 HIBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OCc1nc(Cc2ccccc2)no1 ZINC000530766552 930819435 /nfs/dbraw/zinc/81/94/35/930819435.db2.gz BOVSJDXACPESOF-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(OCC2CC2)cc1 ZINC000530788763 930823622 /nfs/dbraw/zinc/82/36/22/930823622.db2.gz MOTCREJIFYWBIZ-UHFFFAOYSA-N 0 0 405.248 4.327 20 5 HIBDRN O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000530951535 930865713 /nfs/dbraw/zinc/86/57/13/930865713.db2.gz UMGRUAQLPDWORQ-UHFFFAOYSA-N 0 0 420.244 4.439 20 5 HIBDRN COCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(OC)c(OC)c1 ZINC000530959561 930868410 /nfs/dbraw/zinc/86/84/10/930868410.db2.gz QILVRKBOQATKME-UHFFFAOYSA-N 0 0 416.455 4.120 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](c1ccccc1)C(F)(F)F ZINC000531026895 930889422 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VAIVVGJSNPAMOZ-UHFFFAOYSA-N 0 0 400.866 4.178 20 5 HIBDRN Cc1ccc(Cn2nccc2NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000532615659 931555482 /nfs/dbraw/zinc/55/54/82/931555482.db2.gz JYMJYSRIUPMRCM-UHFFFAOYSA-N 0 0 404.348 4.419 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000532691836 931587672 /nfs/dbraw/zinc/58/76/72/931587672.db2.gz YNSCOSHUCZDGTK-OAHLLOKOSA-N 0 0 412.421 4.172 20 5 HIBDRN NC(=O)c1ccc(CN2CCCC[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000532693748 931589786 /nfs/dbraw/zinc/58/97/86/931589786.db2.gz XPSVAAMEPFHPDZ-QGZVFWFLSA-N 0 0 407.392 4.440 20 5 HIBDRN COc1ccc(-c2ccc(CNc3cccc(N4CCOCC4)c3)o2)c([N+](=O)[O-])c1 ZINC000532730089 931614514 /nfs/dbraw/zinc/61/45/14/931614514.db2.gz GSMKOHRKFIGNQM-UHFFFAOYSA-N 0 0 409.442 4.312 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000532734736 931617239 /nfs/dbraw/zinc/61/72/39/931617239.db2.gz YVGAORWQJUMSGQ-UHFFFAOYSA-N 0 0 417.425 4.304 20 5 HIBDRN COc1ccc(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000532895691 931683202 /nfs/dbraw/zinc/68/32/02/931683202.db2.gz CRWPZROSIUYPAJ-UHFFFAOYSA-N 0 0 418.515 4.463 20 5 HIBDRN O=C(CN1CCC[C@@H]1c1ccc(Br)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000532987719 931728235 /nfs/dbraw/zinc/72/82/35/931728235.db2.gz FBIGYSYZVZNPFL-MRXNPFEDSA-N 0 0 404.264 4.133 20 5 HIBDRN C[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000533016354 931737063 /nfs/dbraw/zinc/73/70/63/931737063.db2.gz ZUWUFKFTNHHXCD-PBHICJAKSA-N 0 0 417.893 4.093 20 5 HIBDRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000533097597 931769469 /nfs/dbraw/zinc/76/94/69/931769469.db2.gz DRNFIRBROJDPDI-UHFFFAOYSA-N 0 0 416.231 4.251 20 5 HIBDRN Cc1cnc(CCN(C)c2c3cc(Br)ccc3ncc2[N+](=O)[O-])s1 ZINC000533177944 931802573 /nfs/dbraw/zinc/80/25/73/931802573.db2.gz NRGWVMOYPXUZML-UHFFFAOYSA-N 0 0 407.293 4.349 20 5 HIBDRN COc1ccc(Cc2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1OC ZINC000533200577 931807551 /nfs/dbraw/zinc/80/75/51/931807551.db2.gz XYFWECTUINRWIH-UHFFFAOYSA-N 0 0 420.219 4.015 20 5 HIBDRN COc1ccc(C(=O)N2CCCCCC2)cc1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000533211654 931810606 /nfs/dbraw/zinc/81/06/06/931810606.db2.gz UPQLDEGJMKLKRE-UHFFFAOYSA-N 0 0 413.474 4.240 20 5 HIBDRN COc1cccc(C[C@@H]2CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000533222235 931813632 /nfs/dbraw/zinc/81/36/32/931813632.db2.gz KQIZRQMUZFVZNW-INIZCTEOSA-N 0 0 419.275 4.213 20 5 HIBDRN COc1ccc(CC(=O)Nc2cc(Br)ccc2OC(C)C)cc1[N+](=O)[O-] ZINC000533232501 931815360 /nfs/dbraw/zinc/81/53/60/931815360.db2.gz CGPXLJGXVFDHNM-UHFFFAOYSA-N 0 0 423.263 4.334 20 5 HIBDRN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)Cc1cccs1 ZINC000533240724 931816656 /nfs/dbraw/zinc/81/66/56/931816656.db2.gz PNSTYJNLRNVQRV-LBPRGKRZSA-N 0 0 402.501 4.239 20 5 HIBDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533251120 931819229 /nfs/dbraw/zinc/81/92/29/931819229.db2.gz FBMGBQJLHYKEPW-CYBMUJFWSA-N 0 0 407.392 4.196 20 5 HIBDRN C[C@@H](c1ccccc1Cl)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000533275200 931825117 /nfs/dbraw/zinc/82/51/17/931825117.db2.gz FWFNNKFXYTXENS-LBPRGKRZSA-N 0 0 417.849 4.141 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000533354126 931846601 /nfs/dbraw/zinc/84/66/01/931846601.db2.gz PNVNLLCHRNUYGC-UHFFFAOYSA-N 0 0 410.474 4.441 20 5 HIBDRN C[C@H]1C[C@@H](c2ccccc2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533436515 931868708 /nfs/dbraw/zinc/86/87/08/931868708.db2.gz LELHLUHUKRUHOD-DZGCQCFKSA-N 0 0 418.291 4.174 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000533439713 931870419 /nfs/dbraw/zinc/87/04/19/931870419.db2.gz VZDPYCPKUXHEIR-FOIQADDNSA-N 0 0 417.893 4.347 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000533471157 931877795 /nfs/dbraw/zinc/87/77/95/931877795.db2.gz XWESWZQGKUDAAJ-HUUCEWRRSA-N 0 0 410.499 4.411 20 5 HIBDRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000533515089 931891393 /nfs/dbraw/zinc/89/13/93/931891393.db2.gz RUJJYHLNVGGNSE-KRWDZBQOSA-N 0 0 403.866 4.168 20 5 HIBDRN Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000533524178 931893763 /nfs/dbraw/zinc/89/37/63/931893763.db2.gz GFFPMHQAGSUQRS-IBGZPJMESA-N 0 0 418.457 4.259 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CCO[C@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000533575520 931904994 /nfs/dbraw/zinc/90/49/94/931904994.db2.gz GVSUUQDZGXQHQE-IBGZPJMESA-N 0 0 419.275 4.054 20 5 HIBDRN Cc1cccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1Cl ZINC000533659337 931953164 /nfs/dbraw/zinc/95/31/64/931953164.db2.gz GRJKGXADGVAJJJ-INIZCTEOSA-N 0 0 404.850 4.369 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CC[C@@H](C2CCOCC2)C1 ZINC000533688633 931971154 /nfs/dbraw/zinc/97/11/54/931971154.db2.gz ZGZGJKUFAZZRMZ-LJQANCHMSA-N 0 0 409.486 4.096 20 5 HIBDRN CC[C@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000533772227 932025377 /nfs/dbraw/zinc/02/53/77/932025377.db2.gz QEJGUNIKWDCEQT-RXVVDRJESA-N 0 0 422.489 4.301 20 5 HIBDRN O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc(Br)cc1Cl ZINC000533803314 932039057 /nfs/dbraw/zinc/03/90/57/932039057.db2.gz HKIFIVXBYXAOJX-UHFFFAOYSA-N 0 0 424.682 4.008 20 5 HIBDRN O=C(CSCc1coc(-c2ccccc2)n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533842548 932056707 /nfs/dbraw/zinc/05/67/07/932056707.db2.gz IHFQFVOJUMNKNC-UHFFFAOYSA-N 0 0 409.467 4.068 20 5 HIBDRN CCOc1cc(Br)ccc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533854885 932064186 /nfs/dbraw/zinc/06/41/86/932064186.db2.gz MBUOFCIHYACMSM-UHFFFAOYSA-N 0 0 420.263 4.346 20 5 HIBDRN Cc1nc(COc2cccc(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c2)cs1 ZINC000533861787 932068072 /nfs/dbraw/zinc/06/80/72/932068072.db2.gz CHGMVPPIJPJXLP-UHFFFAOYSA-N 0 0 409.467 4.137 20 5 HIBDRN CCOC(=O)c1sc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)nc1C(C)C ZINC000533873268 932073435 /nfs/dbraw/zinc/07/34/35/932073435.db2.gz RDUYSYUBKAEKCD-UHFFFAOYSA-N 0 0 407.448 4.002 20 5 HIBDRN O=C(Nc1cccc2c1CN(c1ccccn1)C2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533880837 932078626 /nfs/dbraw/zinc/07/86/26/932078626.db2.gz UYSYKNZGQZUCHX-UHFFFAOYSA-N 0 0 415.453 4.100 20 5 HIBDRN Cc1nnc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1[C@H]1CCC[C@H](C)C1 ZINC000533885687 932080567 /nfs/dbraw/zinc/08/05/67/932080567.db2.gz BYGATNSXPXFSAR-QANKJYHBSA-N 0 0 415.519 4.144 20 5 HIBDRN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000533887483 932081779 /nfs/dbraw/zinc/08/17/79/932081779.db2.gz VMTSLSVNGBYARX-UHFFFAOYSA-N 0 0 406.364 4.342 20 5 HIBDRN COc1ccc2cc(CN(C)C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)ccc2c1 ZINC000533887173 932082015 /nfs/dbraw/zinc/08/20/15/932082015.db2.gz BPHGCTIFYPJLDK-UHFFFAOYSA-N 0 0 403.438 4.439 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)[C@H]2COc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC000533927554 932105077 /nfs/dbraw/zinc/10/50/77/932105077.db2.gz FUURESORFYIBHR-ABAIWWIYSA-N 0 0 405.248 4.019 20 5 HIBDRN COc1ccc(Oc2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cn2)cc1 ZINC000533939754 932113163 /nfs/dbraw/zinc/11/31/63/932113163.db2.gz UUMHMSDNCMAXJU-UHFFFAOYSA-N 0 0 418.409 4.453 20 5 HIBDRN CN(CCc1ccc(Br)cc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000533941615 932114500 /nfs/dbraw/zinc/11/45/00/932114500.db2.gz PWPVALMDBQCICF-UHFFFAOYSA-N 0 0 416.275 4.082 20 5 HIBDRN O=C(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1csc([N+](=O)[O-])c1 ZINC000534008304 932189528 /nfs/dbraw/zinc/18/95/28/932189528.db2.gz GTPKVVBKDNVBRY-UHFFFAOYSA-N 0 0 412.349 4.052 20 5 HIBDRN O=C(c1ccccc1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCCC1 ZINC000534058215 932236306 /nfs/dbraw/zinc/23/63/06/932236306.db2.gz WQKWSNSZZUCQBJ-UHFFFAOYSA-N 0 0 406.442 4.488 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)Cc3ccn(C4CCCC4)n3)co2)cc1 ZINC000534060627 932238827 /nfs/dbraw/zinc/23/88/27/932238827.db2.gz IGFWHMHXSMXMJR-NDEPHWFRSA-N 0 0 400.460 4.010 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000534104873 932280742 /nfs/dbraw/zinc/28/07/42/932280742.db2.gz AGGLECFTYBSWGS-QVKFZJNVSA-N 0 0 423.494 4.385 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(-c3ccccc3)cnc2C)cc1[N+](=O)[O-] ZINC000534122467 932288900 /nfs/dbraw/zinc/28/89/00/932288900.db2.gz MUQMJFATLWFSKS-HNNXBMFYSA-N 0 0 418.453 4.090 20 5 HIBDRN CCOC(=O)CCN(Cc1cccnc1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000534142315 932300870 /nfs/dbraw/zinc/30/08/70/932300870.db2.gz GJCXUHNDZFLQDR-UHFFFAOYSA-N 0 0 406.442 4.012 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCc4ccc(Cl)cc4C3)cc2)c(C)c1[N+](=O)[O-] ZINC000534161303 932308658 /nfs/dbraw/zinc/30/86/58/932308658.db2.gz LRZKJHTWUZGOLP-UHFFFAOYSA-N 0 0 424.888 4.308 20 5 HIBDRN Cc1c(Cl)cc(F)c(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1F ZINC000534174891 932315901 /nfs/dbraw/zinc/31/59/01/932315901.db2.gz FPVAJALGEMTYPX-UHFFFAOYSA-N 0 0 410.808 4.189 20 5 HIBDRN CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534178065 932317497 /nfs/dbraw/zinc/31/74/97/932317497.db2.gz UHCUAZKHFMNDJB-FQEVSTJZSA-N 0 0 409.442 4.376 20 5 HIBDRN CCOc1cc(C(=O)Nc2cn(CC(C)C)nc2C(F)F)c([N+](=O)[O-])cc1OC ZINC000534193689 932325285 /nfs/dbraw/zinc/32/52/85/932325285.db2.gz ZVVBUNUEVADCHV-UHFFFAOYSA-N 0 0 412.393 4.045 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(F)F)c1 ZINC000534221997 932341151 /nfs/dbraw/zinc/34/11/51/932341151.db2.gz LFEFUZCPVMYISL-UHFFFAOYSA-N 0 0 410.398 4.440 20 5 HIBDRN COc1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1OC ZINC000534266034 932372228 /nfs/dbraw/zinc/37/22/28/932372228.db2.gz UYTGWXPWBTVUOK-UHFFFAOYSA-N 0 0 418.515 4.333 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000534287410 932376380 /nfs/dbraw/zinc/37/63/80/932376380.db2.gz OKYJMJZPPNYZCO-CVEARBPZSA-N 0 0 412.243 4.191 20 5 HIBDRN COc1ccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)c(C)s2)cc1[N+](=O)[O-] ZINC000534332423 932384344 /nfs/dbraw/zinc/38/43/44/932384344.db2.gz KCEMTXIYUPNFOP-UHFFFAOYSA-N 0 0 423.454 4.093 20 5 HIBDRN COc1cc(CN2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000534337002 932386464 /nfs/dbraw/zinc/38/64/64/932386464.db2.gz XHLYXPNZKRBXRH-OAHLLOKOSA-N 0 0 411.380 4.277 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000534436839 932449414 /nfs/dbraw/zinc/44/94/14/932449414.db2.gz PPMSLDBNAPGLRL-INIZCTEOSA-N 0 0 402.520 4.096 20 5 HIBDRN C[C@H](NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000534610853 932595745 /nfs/dbraw/zinc/59/57/45/932595745.db2.gz PIOQFUDKMUDSAP-SCLBCKFNSA-N 0 0 421.400 4.040 20 5 HIBDRN C[C@H](Cc1ccc(Br)cc1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534636528 932612363 /nfs/dbraw/zinc/61/23/63/932612363.db2.gz IWRKUXVRFUXUII-GFCCVEGCSA-N 0 0 416.275 4.129 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000534644355 932616846 /nfs/dbraw/zinc/61/68/46/932616846.db2.gz DWYMBDZCJWJKBF-QGZVFWFLSA-N 0 0 409.442 4.205 20 5 HIBDRN 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938846793 /nfs/dbraw/zinc/84/67/93/938846793.db2.gz HLKDAKAJFYRJMQ-UHFFFAOYSA-N 0 0 418.515 4.475 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(F)c(Br)c(F)c1 ZINC000539352495 938846906 /nfs/dbraw/zinc/84/69/06/938846906.db2.gz LGOJZCUIAYMJOJ-UHFFFAOYSA-N 0 0 401.163 4.043 20 5 HIBDRN CN(C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539352004 938846917 /nfs/dbraw/zinc/84/69/17/938846917.db2.gz CFCCTQQEFYKTTP-UHFFFAOYSA-N 0 0 403.847 4.414 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000539352730 938847074 /nfs/dbraw/zinc/84/70/74/938847074.db2.gz PFKQNFIRRVFEBH-UHFFFAOYSA-N 0 0 416.503 4.119 20 5 HIBDRN CN(C(=O)c1csc([C@H]2CCCO2)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539353842 938847076 /nfs/dbraw/zinc/84/70/76/938847076.db2.gz WHRZCHOPDBAADE-OAHLLOKOSA-N 0 0 416.484 4.303 20 5 HIBDRN CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(O)c1 ZINC000539357083 938847523 /nfs/dbraw/zinc/84/75/23/938847523.db2.gz RXDYFNMRYZUYLR-UHFFFAOYSA-N 0 0 404.444 4.230 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000539373187 938850684 /nfs/dbraw/zinc/85/06/84/938850684.db2.gz NHPDVGUBAWYXQQ-CYBMUJFWSA-N 0 0 421.469 4.382 20 5 HIBDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000539439779 938860462 /nfs/dbraw/zinc/86/04/62/938860462.db2.gz CHXCDWFLAVJWTB-QFYYESIMSA-N 0 0 411.227 4.002 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCc3c(Br)cccc3C2)c1 ZINC000539518146 938872357 /nfs/dbraw/zinc/87/23/57/938872357.db2.gz BCSSPGFODBCNPD-UHFFFAOYSA-N 0 0 419.275 4.020 20 5 HIBDRN Cc1cccc(CN(CC(C)C)C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 ZINC000539547830 938878088 /nfs/dbraw/zinc/87/80/88/938878088.db2.gz INKXLSJMWHOLLY-UHFFFAOYSA-N 0 0 411.502 4.038 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1CCO[C@H](C)C1 ZINC000539549296 938878270 /nfs/dbraw/zinc/87/82/70/938878270.db2.gz MILXXHDNKJNUCJ-OCCSQVGLSA-N 0 0 418.471 4.254 20 5 HIBDRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000539557354 938879606 /nfs/dbraw/zinc/87/96/06/938879606.db2.gz PBHVFMGVWLOYIU-UKRRQHHQSA-N 0 0 417.487 4.079 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539568983 938881570 /nfs/dbraw/zinc/88/15/70/938881570.db2.gz UXBYJZANDJUAKE-IBGZPJMESA-N 0 0 421.419 4.237 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)c1 ZINC000539589029 938884181 /nfs/dbraw/zinc/88/41/81/938884181.db2.gz KOQCHYRWRYNOSZ-UHFFFAOYSA-N 0 0 415.343 4.424 20 5 HIBDRN Cc1cc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])nn1-c1ccc(Cl)c(Cl)c1 ZINC000539638897 938892345 /nfs/dbraw/zinc/89/23/45/938892345.db2.gz ZORDQFXPENFFPL-UHFFFAOYSA-N 0 0 420.256 4.107 20 5 HIBDRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000539647221 938893289 /nfs/dbraw/zinc/89/32/89/938893289.db2.gz ZPPCMAAUSMSOGS-AWEZNQCLSA-N 0 0 422.528 4.206 20 5 HIBDRN COc1ccc(-c2ccc(CNc3ccc4c(c3)CCC(=O)N4C)o2)c([N+](=O)[O-])c1 ZINC000539693657 938904197 /nfs/dbraw/zinc/90/41/97/938904197.db2.gz JXEHOUQCOGALRW-UHFFFAOYSA-N 0 0 407.426 4.385 20 5 HIBDRN C[C@@H](NCc1cc2c(cc1Br)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000539728446 938914514 /nfs/dbraw/zinc/91/45/14/938914514.db2.gz WBGSOINZRWSMBF-GFCCVEGCSA-N 0 0 407.264 4.369 20 5 HIBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539744208 938918969 /nfs/dbraw/zinc/91/89/69/938918969.db2.gz GFMMOEWESDHQBF-CQSZACIVSA-N 0 0 417.897 4.434 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000539751597 938920741 /nfs/dbraw/zinc/92/07/41/938920741.db2.gz KXLPINHDUFZUOE-AWEZNQCLSA-N 0 0 411.849 4.053 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000539751601 938920967 /nfs/dbraw/zinc/92/09/67/938920967.db2.gz KXLPINHDUFZUOE-CQSZACIVSA-N 0 0 411.849 4.053 20 5 HIBDRN Cc1cc(C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)c(C)n1CC(F)(F)F ZINC000539759771 938925932 /nfs/dbraw/zinc/92/59/32/938925932.db2.gz RTGPRPXGPJZDLM-UHFFFAOYSA-N 0 0 406.364 4.322 20 5 HIBDRN O=C(Cc1csc(Cc2ccccc2)n1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539794868 938936683 /nfs/dbraw/zinc/93/66/83/938936683.db2.gz WOXYEMDFWPLWRK-UHFFFAOYSA-N 0 0 415.902 4.197 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000539861956 938960762 /nfs/dbraw/zinc/96/07/62/938960762.db2.gz CCRVZVYIOKZTFB-IBGZPJMESA-N 0 0 408.401 4.168 20 5 HIBDRN COc1ccccc1[C@@H](CO)NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000539980539 939029238 /nfs/dbraw/zinc/02/92/38/939029238.db2.gz XZIMKMPDALDJND-HXUWFJFHSA-N 0 0 424.478 4.218 20 5 HIBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccccc1OCC(=O)N(C)C ZINC000540035971 939045614 /nfs/dbraw/zinc/04/56/14/939045614.db2.gz WWYOPASLUCYXLW-OAHLLOKOSA-N 0 0 423.416 4.226 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCOc2ccc(I)cc21 ZINC000540117817 939079166 /nfs/dbraw/zinc/07/91/66/939079166.db2.gz NMSBVCXPSNJFEP-OAHLLOKOSA-N 0 0 424.238 4.203 20 5 HIBDRN Cc1n[nH]c(C(=O)N[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000540122578 939081014 /nfs/dbraw/zinc/08/10/14/939081014.db2.gz DLKCLDAXJUWJDR-DZGCQCFKSA-N 0 0 410.396 4.491 20 5 HIBDRN Cc1c([C@H](C)NCc2nnc(-c3ccc(Br)cc3)[nH]2)cccc1[N+](=O)[O-] ZINC000540148679 939091757 /nfs/dbraw/zinc/09/17/57/939091757.db2.gz ZYKOZMXSJXALIZ-LBPRGKRZSA-N 0 0 416.279 4.302 20 5 HIBDRN Cc1c([C@@H](C)NCc2nnc(-c3ccc(Br)cc3)[nH]2)cccc1[N+](=O)[O-] ZINC000540148678 939092249 /nfs/dbraw/zinc/09/22/49/939092249.db2.gz ZYKOZMXSJXALIZ-GFCCVEGCSA-N 0 0 416.279 4.302 20 5 HIBDRN Cc1c([C@@H](C)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cccc1[N+](=O)[O-] ZINC000540166650 939098710 /nfs/dbraw/zinc/09/87/10/939098710.db2.gz MEAXNODMRVYLOB-SNVBAGLBSA-N 0 0 413.787 4.469 20 5 HIBDRN O=C(c1cnc(Oc2ccccc2)cn1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000540222514 939136987 /nfs/dbraw/zinc/13/69/87/939136987.db2.gz QBRUCCOYOKJHAM-FQEVSTJZSA-N 0 0 408.439 4.065 20 5 HIBDRN COCCSc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000540334100 939198202 /nfs/dbraw/zinc/19/82/02/939198202.db2.gz XXDVDHOFOFWUNW-HUUCEWRRSA-N 0 0 403.504 4.455 20 5 HIBDRN COc1ccccc1-n1ncc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c1C ZINC000563649195 945235197 /nfs/dbraw/zinc/23/51/97/945235197.db2.gz IWZWVFJRZVVVJT-UHFFFAOYSA-N 0 0 405.414 4.047 20 5 HIBDRN C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(OCC2CC2)c(F)c1 ZINC000540425463 939243996 /nfs/dbraw/zinc/24/39/96/939243996.db2.gz ZKYBVLBWWKBNHS-CYBMUJFWSA-N 0 0 412.421 4.424 20 5 HIBDRN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000540445193 939252799 /nfs/dbraw/zinc/25/27/99/939252799.db2.gz QTNYDHFCBPDHSW-FXAWDEMLSA-N 0 0 415.877 4.108 20 5 HIBDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c2cnn(Cc3cccs3)c2n1 ZINC000540449237 939254398 /nfs/dbraw/zinc/25/43/98/939254398.db2.gz QWTZHEDCBJGOHM-AWEZNQCLSA-N 0 0 421.482 4.249 20 5 HIBDRN CN(C(=O)c1ccn(-c2ccccc2)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000540454471 939256866 /nfs/dbraw/zinc/25/68/66/939256866.db2.gz HHXWCVJRUXKENS-UHFFFAOYSA-N 0 0 405.439 4.181 20 5 HIBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1S(C)(=O)=O ZINC000540454995 939257966 /nfs/dbraw/zinc/25/79/66/939257966.db2.gz YFJVFNJODCLOLO-UHFFFAOYSA-N 0 0 408.501 4.060 20 5 HIBDRN Cc1ccc([C@@H](CC(=O)OC(C)C)NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000540467135 939264151 /nfs/dbraw/zinc/26/41/51/939264151.db2.gz APPZEXKYIMPYRU-LJQANCHMSA-N 0 0 424.457 4.126 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000540471020 939265482 /nfs/dbraw/zinc/26/54/82/939265482.db2.gz ZFUAKEGNCLLJPN-UHFFFAOYSA-N 0 0 412.471 4.118 20 5 HIBDRN CN(Cc1cccc2ccccc21)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000540514131 939283506 /nfs/dbraw/zinc/28/35/06/939283506.db2.gz ZHYJQKXZYGGVTO-UHFFFAOYSA-N 0 0 419.466 4.290 20 5 HIBDRN O=C(CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000540521515 939286178 /nfs/dbraw/zinc/28/61/78/939286178.db2.gz WKHDQXHNTBKWAS-OAHLLOKOSA-N 0 0 421.297 4.445 20 5 HIBDRN O=C(NCC1(Cc2ccccc2)CCC1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000540587755 939311654 /nfs/dbraw/zinc/31/16/54/939311654.db2.gz NEZAQQWOCYZJFO-UHFFFAOYSA-N 0 0 423.498 4.007 20 5 HIBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1c(Br)cccc1Br ZINC000540602520 939316322 /nfs/dbraw/zinc/31/63/22/939316322.db2.gz LEZFUDHLECJNRK-UHFFFAOYSA-N 0 0 400.026 4.372 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000540622322 939322107 /nfs/dbraw/zinc/32/21/07/939322107.db2.gz VFQIAFWWAHNUTC-AZUAARDMSA-N 0 0 416.449 4.190 20 5 HIBDRN Cc1csc2ncc(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c(=O)n12 ZINC000540629614 939324056 /nfs/dbraw/zinc/32/40/56/939324056.db2.gz MFNGXNXJMAVABR-UHFFFAOYSA-N 0 0 422.422 4.017 20 5 HIBDRN COC(=O)c1ccc(C(C)C)c(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1 ZINC000540652482 939331125 /nfs/dbraw/zinc/33/11/25/939331125.db2.gz UTWUKEUTRXXNPC-UHFFFAOYSA-N 0 0 400.431 4.221 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2ccc(Br)s2)c1 ZINC000540652470 939331183 /nfs/dbraw/zinc/33/11/83/939331183.db2.gz VGTGNMBRWSZLIC-NSHDSACASA-N 0 0 413.293 4.374 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000540730530 939351637 /nfs/dbraw/zinc/35/16/37/939351637.db2.gz PDPFEKVOFBVYCX-UHFFFAOYSA-N 0 0 411.487 4.379 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000540733190 939351970 /nfs/dbraw/zinc/35/19/70/939351970.db2.gz OEUUGOKYQPYHDS-UHFFFAOYSA-N 0 0 401.444 4.184 20 5 HIBDRN Cc1nn(CCC(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000540777444 939368374 /nfs/dbraw/zinc/36/83/74/939368374.db2.gz FLIXMKFHFCJSKA-SJORKVTESA-N 0 0 424.423 4.270 20 5 HIBDRN COc1cc(CNc2ccc(SC)nc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000540791311 939373466 /nfs/dbraw/zinc/37/34/66/939373466.db2.gz ROXRUMROZZENPC-UHFFFAOYSA-N 0 0 403.382 4.274 20 5 HIBDRN 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O=[N+]([O-])c1ccc(-c2noc(CN[C@@H](c3cccc(F)c3F)C(F)(F)F)n2)cc1 ZINC000542259121 939774615 /nfs/dbraw/zinc/77/46/15/939774615.db2.gz GLBCFCRMGNGUAT-HNNXBMFYSA-N 0 0 414.290 4.316 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)n1 ZINC000542315286 939798014 /nfs/dbraw/zinc/79/80/14/939798014.db2.gz DIIBAZZQOWBPJQ-INIZCTEOSA-N 0 0 405.241 4.155 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000542349103 939805037 /nfs/dbraw/zinc/80/50/37/939805037.db2.gz DNPWTNCEZFDOQR-UHFFFAOYSA-N 0 0 418.356 4.075 20 5 HIBDRN COc1ccccc1[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000542365279 939808289 /nfs/dbraw/zinc/80/82/89/939808289.db2.gz VYSCAHAXDZLRSF-CYBMUJFWSA-N 0 0 406.891 4.365 20 5 HIBDRN C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000542401966 939815263 /nfs/dbraw/zinc/81/52/63/939815263.db2.gz KASLTYXLXOVBIX-IAQYHMDHSA-N 0 0 412.920 4.390 20 5 HIBDRN Cc1ccnn1-c1ccccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000542422093 939819138 /nfs/dbraw/zinc/81/91/38/939819138.db2.gz QTRSWTHTWJGZJY-UHFFFAOYSA-N 0 0 421.457 4.164 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccoc1CN1c2ccccc2C[C@@H]1C ZINC000542423891 939819808 /nfs/dbraw/zinc/81/98/08/939819808.db2.gz WBAUFXXUTWNFID-HNNXBMFYSA-N 0 0 421.453 4.078 20 5 HIBDRN CCCc1c(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cnn1-c1cccc(F)c1 ZINC000542435152 939822076 /nfs/dbraw/zinc/82/20/76/939822076.db2.gz XKJZFVCQYHVWME-UHFFFAOYSA-N 0 0 411.437 4.236 20 5 HIBDRN CC(C)(C)NS(=O)(=O)Cc1cccc(NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000542464253 939827316 /nfs/dbraw/zinc/82/73/16/939827316.db2.gz DUASEYOJTIOGNN-UHFFFAOYSA-N 0 0 411.911 4.078 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCOc2c(Br)cccc21 ZINC000542499276 939833215 /nfs/dbraw/zinc/83/32/15/939833215.db2.gz OLCBVMNXBCIXGB-INIZCTEOSA-N 0 0 407.264 4.369 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ncnc3cccc([N+](=O)[O-])c31)O[C@H](C)C2 ZINC000542508158 939834593 /nfs/dbraw/zinc/83/45/93/939834593.db2.gz XDLYTUUKDKNLKM-IFIJOSMWSA-N 0 0 406.442 4.228 20 5 HIBDRN Cc1c(Br)c(N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000542507995 939834598 /nfs/dbraw/zinc/83/45/98/939834598.db2.gz VFLXOGMQOFPZEW-DOMZBBRYSA-N 0 0 414.206 4.281 20 5 HIBDRN Cc1c(Br)c(N[C@H](C)c2ccc3c(c2)CCC(=O)N3)ncc1[N+](=O)[O-] ZINC000542507816 939834635 /nfs/dbraw/zinc/83/46/35/939834635.db2.gz QFFDSCVMOHYSOS-SNVBAGLBSA-N 0 0 405.252 4.119 20 5 HIBDRN Cc1c(Br)c(N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000542508007 939834674 /nfs/dbraw/zinc/83/46/74/939834674.db2.gz VFLXOGMQOFPZEW-SWLSCSKDSA-N 0 0 414.206 4.281 20 5 HIBDRN C[C@H](C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542510349 939834809 /nfs/dbraw/zinc/83/48/09/939834809.db2.gz JMKHYVFGEMPHLV-OAGGEKHMSA-N 0 0 415.465 4.085 20 5 HIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000542514170 939835388 /nfs/dbraw/zinc/83/53/88/939835388.db2.gz AIMHENWANCCHOF-DJJJIMSYSA-N 0 0 402.422 4.218 20 5 HIBDRN CC(=O)Nc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C(F)(F)F)c1 ZINC000542514768 939835771 /nfs/dbraw/zinc/83/57/71/939835771.db2.gz NLOJGELXYRCQFF-VIFPVBQESA-N 0 0 413.327 4.453 20 5 HIBDRN COc1ccc(C)cc1C1(CNc2ncnc3cccc([N+](=O)[O-])c32)CCOCC1 ZINC000542521966 939836955 /nfs/dbraw/zinc/83/69/55/939836955.db2.gz LWRDZTPCJTVQJK-UHFFFAOYSA-N 0 0 408.458 4.015 20 5 HIBDRN Cc1c(Br)c(NCc2ccc(N3CCCCCC3)nc2)ncc1[N+](=O)[O-] ZINC000542521930 939836967 /nfs/dbraw/zinc/83/69/67/939836967.db2.gz LKNARCPUHXSRLT-UHFFFAOYSA-N 0 0 420.311 4.448 20 5 HIBDRN Cc1nc([C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c2ccc(Cl)cc2)no1 ZINC000542527978 939837604 /nfs/dbraw/zinc/83/76/04/939837604.db2.gz ZPFLKSVBTZMPLH-DYZYQPBXSA-N 0 0 418.812 4.088 20 5 HIBDRN COc1ccc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1OC1CCCC1 ZINC000542532199 939838736 /nfs/dbraw/zinc/83/87/36/939838736.db2.gz NKBFTSKUCDKKEM-CQSZACIVSA-N 0 0 416.449 4.484 20 5 HIBDRN C[C@@H](C(=O)N(C)Cc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1F ZINC000542533917 939839201 /nfs/dbraw/zinc/83/92/01/939839201.db2.gz ZXQXTVKOXKFARE-SNVBAGLBSA-N 0 0 413.218 4.398 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542538902 939840320 /nfs/dbraw/zinc/84/03/20/939840320.db2.gz RQSNXTALEVGUAT-OAHLLOKOSA-N 0 0 413.449 4.348 20 5 HIBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542681826 939853790 /nfs/dbraw/zinc/85/37/90/939853790.db2.gz BRYOBLIXFUUJPN-LPHOPBHVSA-N 0 0 406.841 4.309 20 5 HIBDRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000542692250 939854628 /nfs/dbraw/zinc/85/46/28/939854628.db2.gz AIULLBDOFUHIQE-QHCPKHFHSA-N 0 0 420.513 4.338 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1CN[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000542704011 939855407 /nfs/dbraw/zinc/85/54/07/939855407.db2.gz LTMULEAGYNVRLS-JOCHJYFZSA-N 0 0 410.495 4.186 20 5 HIBDRN O=C(Nc1ccc(Cc2nnc3ccccn32)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000542763573 939859599 /nfs/dbraw/zinc/85/95/99/939859599.db2.gz WMPCEMQTARNVCV-UHFFFAOYSA-N 0 0 406.377 4.011 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000542794007 939860884 /nfs/dbraw/zinc/86/08/84/939860884.db2.gz INIAJJXDHDINAU-CYBMUJFWSA-N 0 0 406.426 4.280 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000542803199 939860959 /nfs/dbraw/zinc/86/09/59/939860959.db2.gz OSFVBFDKBCGQFS-UHFFFAOYSA-N 0 0 405.545 4.116 20 5 HIBDRN CC(C)[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1F ZINC000542843814 939862397 /nfs/dbraw/zinc/86/23/97/939862397.db2.gz HUBGLBHBIQZRIL-QGZVFWFLSA-N 0 0 400.859 4.204 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(CN[C@H](CO)c3ccc(C(F)(F)F)cc3)co2)cc1 ZINC000542881663 939865099 /nfs/dbraw/zinc/86/50/99/939865099.db2.gz SUKGHSCCEMEVPO-QGZVFWFLSA-N 0 0 407.348 4.092 20 5 HIBDRN COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542883737 939865280 /nfs/dbraw/zinc/86/52/80/939865280.db2.gz OKJGPVLOOBEKPF-OAHLLOKOSA-N 0 0 406.385 4.052 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000542913836 939876746 /nfs/dbraw/zinc/87/67/46/939876746.db2.gz LRMKHXGKHXUZFW-UHFFFAOYSA-N 0 0 403.744 4.296 20 5 HIBDRN Cn1c(SCc2ccc([N+](=O)[O-])cc2Cl)nnc1[C@@H]1COc2ccccc2O1 ZINC000542937331 939882071 /nfs/dbraw/zinc/88/20/71/939882071.db2.gz DKJIZGCYVSTWEV-INIZCTEOSA-N 0 0 418.862 4.182 20 5 HIBDRN COc1ccc(OCCOc2cccc(C(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000542979597 939890687 /nfs/dbraw/zinc/89/06/87/939890687.db2.gz GVQQZQLAKZVRTC-UHFFFAOYSA-N 0 0 408.410 4.314 20 5 HIBDRN CCc1ccc([C@H]2COCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000543120474 939955962 /nfs/dbraw/zinc/95/59/62/939955962.db2.gz MMWNZRBOUJFZEA-OAHLLOKOSA-N 0 0 410.879 4.096 20 5 HIBDRN O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000543122578 939956929 /nfs/dbraw/zinc/95/69/29/939956929.db2.gz ARIZBROUBZXUKD-LJQANCHMSA-N 0 0 419.890 4.320 20 5 HIBDRN COC(=O)[C@@H](C)[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000543123636 939957836 /nfs/dbraw/zinc/95/78/36/939957836.db2.gz SWWZCILDEHKUIZ-KPZWWZAWSA-N 0 0 422.890 4.007 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](COc2ccccc2)C1 ZINC000543128283 939960136 /nfs/dbraw/zinc/96/01/36/939960136.db2.gz ABOZOZKRUAMLCC-CQSZACIVSA-N 0 0 406.891 4.268 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1csc(-c2ccccn2)n1 ZINC000543128679 939960801 /nfs/dbraw/zinc/96/08/01/939960801.db2.gz SYTOSOODSOEMRT-UHFFFAOYSA-N 0 0 406.876 4.498 20 5 HIBDRN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543130034 939961261 /nfs/dbraw/zinc/96/12/61/939961261.db2.gz NGXAVEVZPWWZRY-LBPRGKRZSA-N 0 0 417.314 4.368 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(n2cc(Cl)cn2)CC1 ZINC000543130927 939962543 /nfs/dbraw/zinc/96/25/43/939962543.db2.gz XHLUATZZHNAEEC-UHFFFAOYSA-N 0 0 415.302 4.054 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccnc(N2CCCCC2)c1 ZINC000543141422 939967043 /nfs/dbraw/zinc/96/70/43/939967043.db2.gz FGJYRBXBYYHFHP-UHFFFAOYSA-N 0 0 420.922 4.042 20 5 HIBDRN CCNC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000543141849 939967724 /nfs/dbraw/zinc/96/77/24/939967724.db2.gz LTLOEJMPXPZSEV-UHFFFAOYSA-N 0 0 407.879 4.037 20 5 HIBDRN CCCNC(=O)c1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000543151036 939974305 /nfs/dbraw/zinc/97/43/05/939974305.db2.gz QQUIADDNAQCQCP-UHFFFAOYSA-N 0 0 407.879 4.119 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1O[C@@H]1CCOC1 ZINC000543152243 939975965 /nfs/dbraw/zinc/97/59/65/939975965.db2.gz GGIUTQQCXWOSKO-CYBMUJFWSA-N 0 0 408.863 4.147 20 5 HIBDRN CCOc1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000543153274 939976568 /nfs/dbraw/zinc/97/65/68/939976568.db2.gz FXNDFPHYOZGXFK-UHFFFAOYSA-N 0 0 410.879 4.064 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])N1CCC(Oc2ccccc2Cl)CC1 ZINC000543156703 939979337 /nfs/dbraw/zinc/97/93/37/939979337.db2.gz MKYLJKQHBHPCOF-UHFFFAOYSA-N 0 0 406.891 4.410 20 5 HIBDRN COc1ccccc1C1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000543161863 939981778 /nfs/dbraw/zinc/98/17/78/939981778.db2.gz QCUKWYUEHBASGL-UHFFFAOYSA-N 0 0 406.891 4.197 20 5 HIBDRN CSc1cnn(-c2ccccc2)c1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000543161892 939981901 /nfs/dbraw/zinc/98/19/01/939981901.db2.gz SJGUETNEEWNZDC-UHFFFAOYSA-N 0 0 400.485 4.233 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000543175525 939985377 /nfs/dbraw/zinc/98/53/77/939985377.db2.gz BXYHVXXZEVSRDO-ZDUSSCGKSA-N 0 0 406.508 4.394 20 5 HIBDRN COc1cc(C(=O)N[C@@]2(C)CCO[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543183577 939989617 /nfs/dbraw/zinc/98/96/17/939989617.db2.gz NHMGZDIPVNJHBP-ODXCJYRJSA-N 0 0 420.849 4.346 20 5 HIBDRN COC(=O)[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1Cl ZINC000543304599 940023435 /nfs/dbraw/zinc/02/34/35/940023435.db2.gz JDFSHEAHLQDHEK-INIZCTEOSA-N 0 0 422.224 4.027 20 5 HIBDRN Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)o1 ZINC000563762940 945290116 /nfs/dbraw/zinc/29/01/16/945290116.db2.gz ZAYWCBVQTAIESW-UHFFFAOYSA-N 0 0 413.817 4.072 20 5 HIBDRN CCc1ccc([C@H](NCc2ccccc2N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543409207 940055864 /nfs/dbraw/zinc/05/58/64/940055864.db2.gz YDTPONAVXKZRLD-XMMPIXPASA-N 0 0 421.497 4.466 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccccc1I ZINC000543426896 940060848 /nfs/dbraw/zinc/06/08/48/940060848.db2.gz ODOKRXUIAOBZAW-LLVKDONJSA-N 0 0 412.227 4.059 20 5 HIBDRN COC[C@@H](Nc1ncc([N+](=O)[O-])c(C)c1Br)c1ccc(F)c(F)c1 ZINC000543435205 940063595 /nfs/dbraw/zinc/06/35/95/940063595.db2.gz LDMYEEJTSFFMBS-GFCCVEGCSA-N 0 0 402.195 4.139 20 5 HIBDRN Cc1c(Br)c(NCc2nccn2CCc2ccccc2)ncc1[N+](=O)[O-] ZINC000543437489 940063705 /nfs/dbraw/zinc/06/37/05/940063705.db2.gz WKTZHRMIAFGLCL-UHFFFAOYSA-N 0 0 416.279 4.112 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(N3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)c21 ZINC000543435656 940063722 /nfs/dbraw/zinc/06/37/22/940063722.db2.gz RHBFTZUAGUHATR-MRXNPFEDSA-N 0 0 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ZINC000545874469 940647435 /nfs/dbraw/zinc/64/74/35/940647435.db2.gz BCBAHIXQIRNXDM-HNNXBMFYSA-N 0 0 422.670 4.341 20 5 HIBDRN CNc1ccc(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000545957677 940665221 /nfs/dbraw/zinc/66/52/21/940665221.db2.gz VTZJSSHEEZOUGK-HNNXBMFYSA-N 0 0 422.510 4.296 20 5 HIBDRN CN(c1ccccc1)c1ccc(CNc2ccc3c(c2)OCC(=O)N3C)cc1[N+](=O)[O-] ZINC000545961401 940666575 /nfs/dbraw/zinc/66/65/75/940666575.db2.gz JTQVZLJSZGHKPB-UHFFFAOYSA-N 0 0 418.453 4.330 20 5 HIBDRN COc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c2ncccc12 ZINC000546019839 940675701 /nfs/dbraw/zinc/67/57/01/940675701.db2.gz LERPGIDJOCWVHQ-UHFFFAOYSA-N 0 0 421.331 4.345 20 5 HIBDRN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000546035912 940678962 /nfs/dbraw/zinc/67/89/62/940678962.db2.gz LRNJSOVUTPFEKW-UHFFFAOYSA-N 0 0 405.336 4.121 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)c2nnc(C)s2)cc1 ZINC000546053877 940683243 /nfs/dbraw/zinc/68/32/43/940683243.db2.gz DWONERCKZQMIFU-LLVKDONJSA-N 0 0 414.443 4.047 20 5 HIBDRN C[C@H](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000546063545 940687467 /nfs/dbraw/zinc/68/74/67/940687467.db2.gz GLHUYWIMWRNYPY-CYBMUJFWSA-N 0 0 416.421 4.227 20 5 HIBDRN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000546118163 940704619 /nfs/dbraw/zinc/70/46/19/940704619.db2.gz JXDUGLHPOVEPQF-LBPRGKRZSA-N 0 0 409.269 4.469 20 5 HIBDRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000546134048 940708977 /nfs/dbraw/zinc/70/89/77/940708977.db2.gz QPSUDSDNIQFRMH-NSHDSACASA-N 0 0 410.348 4.218 20 5 HIBDRN Cc1cc(C2CCN(C(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000546152218 940714771 /nfs/dbraw/zinc/71/47/71/940714771.db2.gz CWZUBVSNVMEMGS-UHFFFAOYSA-N 0 0 419.485 4.258 20 5 HIBDRN CC[C@@H](CC(F)(F)F)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000546168816 940720436 /nfs/dbraw/zinc/72/04/36/940720436.db2.gz PMDPUDRCZANTFV-JTQLQIEISA-N 0 0 401.307 4.263 20 5 HIBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1 ZINC000546175184 940721798 /nfs/dbraw/zinc/72/17/98/940721798.db2.gz LJJIXCZGHQZBTF-UHFFFAOYSA-N 0 0 412.920 4.194 20 5 HIBDRN CCCc1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cnn1-c1cc(C)ccn1 ZINC000546197051 940727383 /nfs/dbraw/zinc/72/73/83/940727383.db2.gz DYPVTYGFHPTAAY-UHFFFAOYSA-N 0 0 411.487 4.167 20 5 HIBDRN Cc1noc(C)c1COc1ccc(Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)cc1 ZINC000546236620 940739702 /nfs/dbraw/zinc/73/97/02/940739702.db2.gz HPJQBJLSRRKVOR-UHFFFAOYSA-N 0 0 420.425 4.343 20 5 HIBDRN Cc1cc(OCC(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)ccc1[N+](=O)[O-] ZINC000564003590 945344332 /nfs/dbraw/zinc/34/43/32/945344332.db2.gz MFYKIGMQKACERG-MRXNPFEDSA-N 0 0 407.426 4.347 20 5 HIBDRN O=[N+]([O-])c1ccccc1Cc1noc(CCCOc2cccc(Br)c2)n1 ZINC000546243092 940743954 /nfs/dbraw/zinc/74/39/54/940743954.db2.gz OVGDIQVUZMTACO-UHFFFAOYSA-N 0 0 418.247 4.343 20 5 HIBDRN CC(=O)Nc1ccccc1-c1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000546249885 940748615 /nfs/dbraw/zinc/74/86/15/940748615.db2.gz ACVWPPAKVHFCIU-JTQLQIEISA-N 0 0 402.794 4.397 20 5 HIBDRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000546259254 940751098 /nfs/dbraw/zinc/75/10/98/940751098.db2.gz PBWLIEWYLGGUDC-LLVKDONJSA-N 0 0 402.407 4.217 20 5 HIBDRN Nc1ccc(-c2noc(CCc3ncc(-c4ccc(Cl)cc4)o3)n2)cc1[N+](=O)[O-] ZINC000546258890 940751370 /nfs/dbraw/zinc/75/13/70/940751370.db2.gz CAHGIGRMDKGCKJ-UHFFFAOYSA-N 0 0 411.805 4.321 20 5 HIBDRN CC(C)c1[nH]nc(-c2nc(Cc3ccc(OCc4ccccn4)cc3)no2)c1[N+](=O)[O-] ZINC000546280504 940760493 /nfs/dbraw/zinc/76/04/93/940760493.db2.gz STRGMNVGJXESCW-UHFFFAOYSA-N 0 0 420.429 4.056 20 5 HIBDRN Cc1ccc(Cc2noc(-c3ccc(N4C[C@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)n2)cn1 ZINC000546339660 940792965 /nfs/dbraw/zinc/79/29/65/940792965.db2.gz LNUQYIVAFWFQLL-GASCZTMLSA-N 0 0 407.474 4.421 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCc1nc(Cc2cn3cc(Cl)cc(Cl)c3n2)no1 ZINC000546363918 940802194 /nfs/dbraw/zinc/80/21/94/940802194.db2.gz UDBMTTKCSVRTNB-UHFFFAOYSA-N 0 0 419.228 4.135 20 5 HIBDRN Cc1cc(-c2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)ccc1[N+](=O)[O-] ZINC000546367157 940803186 /nfs/dbraw/zinc/80/31/86/940803186.db2.gz QCTPYTNYLDUTSJ-UHFFFAOYSA-N 0 0 404.213 4.499 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2COc3ccc(Cl)cc3C2)n1 ZINC000546375974 940805013 /nfs/dbraw/zinc/80/50/13/940805013.db2.gz IUDIIRLJVBXMST-ZDUSSCGKSA-N 0 0 400.822 4.005 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(Cc2cc(F)ccc2Br)n1 ZINC000546378179 940805368 /nfs/dbraw/zinc/80/53/68/940805368.db2.gz IWEPOMOFYCDFQS-UHFFFAOYSA-N 0 0 421.226 4.125 20 5 HIBDRN CC(C)NC(=O)Nc1ccc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000546414931 940814573 /nfs/dbraw/zinc/81/45/73/940814573.db2.gz AMWGCCKUYIYETD-UHFFFAOYSA-N 0 0 417.372 4.315 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc(N(C)C(=O)c3ccncc3)cc2)no1 ZINC000546426288 940817278 /nfs/dbraw/zinc/81/72/78/940817278.db2.gz ULSRADPTVNVUJG-UHFFFAOYSA-N 0 0 415.409 4.292 20 5 HIBDRN COc1c(-c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cnc2ccccc21 ZINC000546434081 940819241 /nfs/dbraw/zinc/81/92/41/940819241.db2.gz OIAQPKZFAXDAIS-UHFFFAOYSA-N 0 0 414.381 4.054 20 5 HIBDRN COc1ccc(CSCc2nc(-c3ccc(N(C)C)cc3C)no2)cc1[N+](=O)[O-] ZINC000546434653 940819464 /nfs/dbraw/zinc/81/94/64/940819464.db2.gz AKOJVHMFAMAOMW-UHFFFAOYSA-N 0 0 414.487 4.461 20 5 HIBDRN Cc1ccc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)nc1 ZINC000546449202 940822833 /nfs/dbraw/zinc/82/28/33/940822833.db2.gz HUXDUSSAPONCEY-FNORWQNLSA-N 0 0 401.220 4.205 20 5 HIBDRN C[C@H](CNC(=O)c1ccccc1)c1noc(-c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000546464726 940827020 /nfs/dbraw/zinc/82/70/20/940827020.db2.gz CWYINQBBSZPWBI-CQSZACIVSA-N 0 0 408.458 4.476 20 5 HIBDRN COc1cc(Cc2noc(COc3ccc(C(F)(F)F)cc3)n2)ccc1[N+](=O)[O-] ZINC000546467699 940828101 /nfs/dbraw/zinc/82/81/01/940828101.db2.gz CSDWNCYQOYAZCB-UHFFFAOYSA-N 0 0 409.320 4.175 20 5 HIBDRN COc1ccc(-n2nc(-c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)cc2C)cc1 ZINC000546485317 940832836 /nfs/dbraw/zinc/83/28/36/940832836.db2.gz NINSAGIWVKRZRR-UHFFFAOYSA-N 0 0 405.414 4.047 20 5 HIBDRN CCOc1cc(/C=C/c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)ccc1OC ZINC000546491413 940835255 /nfs/dbraw/zinc/83/52/55/940835255.db2.gz FAWPLJBXQFCSJF-JXMROGBWSA-N 0 0 411.414 4.155 20 5 HIBDRN COc1cc(Cc2noc(-c3cc(Oc4ccccc4)ccn3)n2)ccc1[N+](=O)[O-] ZINC000546495377 940836340 /nfs/dbraw/zinc/83/63/40/940836340.db2.gz OSQBBKUZLRPYHX-UHFFFAOYSA-N 0 0 404.382 4.432 20 5 HIBDRN C[C@H](c1nc(-c2ccc(OC3CCOCC3)cc2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000546505119 940838487 /nfs/dbraw/zinc/83/84/87/940838487.db2.gz SBPRALYSVRNQQP-ZDUSSCGKSA-N 0 0 413.405 4.494 20 5 HIBDRN O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3cnc(Oc4ccccc4)cn3)no2)cc1 ZINC000546515099 940840558 /nfs/dbraw/zinc/84/05/58/940840558.db2.gz FBJSBCBHNFWSNW-UHFFFAOYSA-N 0 0 411.324 4.367 20 5 HIBDRN Cc1nn(C)c(-c2nc([C@H](c3ccc(Br)cc3)C(C)C)no2)c1[N+](=O)[O-] ZINC000546519829 940841941 /nfs/dbraw/zinc/84/19/41/940841941.db2.gz BAINJZGVISDVBC-ZDUSSCGKSA-N 0 0 420.267 4.237 20 5 HIBDRN Cc1ccc(-c2nc(CSc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)cs2)o1 ZINC000546523233 940842720 /nfs/dbraw/zinc/84/27/20/940842720.db2.gz FERHZVYUDLKRMD-UHFFFAOYSA-N 0 0 414.468 4.159 20 5 HIBDRN CC(C)(C(=O)N1CCC(OCCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000546526225 940844121 /nfs/dbraw/zinc/84/41/21/940844121.db2.gz DDQOWACACDZWCQ-UHFFFAOYSA-N 0 0 414.477 4.262 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1OC(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000546526798 940844123 /nfs/dbraw/zinc/84/41/23/940844123.db2.gz OIGWHSCFTYETCQ-UHFFFAOYSA-N 0 0 408.748 4.288 20 5 HIBDRN Cc1ccc(C(=O)C2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000546535512 940846367 /nfs/dbraw/zinc/84/63/67/940846367.db2.gz IJWMAIXFTQJMQK-UHFFFAOYSA-N 0 0 412.461 4.441 20 5 HIBDRN CCOC(=O)CCc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000546534849 940846522 /nfs/dbraw/zinc/84/65/22/940846522.db2.gz GWADQLJBOLIVLK-UHFFFAOYSA-N 0 0 402.422 4.146 20 5 HIBDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000546535723 940846676 /nfs/dbraw/zinc/84/66/76/940846676.db2.gz MHEPVUZREIRDLG-CYBMUJFWSA-N 0 0 402.422 4.002 20 5 HIBDRN CC(C)(C(=O)N1CC[C@H](Oc2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1F ZINC000546537206 940846995 /nfs/dbraw/zinc/84/69/95/940846995.db2.gz MXNYZSLBZIDHLZ-AWEZNQCLSA-N 0 0 406.841 4.345 20 5 HIBDRN Cc1ccc(Cn2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)c2=O)cc1 ZINC000546539677 940847377 /nfs/dbraw/zinc/84/73/77/940847377.db2.gz RZVQAZWKXKKDMK-UHFFFAOYSA-N 0 0 423.444 4.169 20 5 HIBDRN COc1ccccc1C1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000546552599 940850714 /nfs/dbraw/zinc/85/07/14/940850714.db2.gz IGGZDFRJHZLDCZ-UHFFFAOYSA-N 0 0 400.450 4.258 20 5 HIBDRN Cc1cc(Cc2noc(-c3ccc(NC(=O)N(C)C)cc3Cl)n2)ccc1[N+](=O)[O-] ZINC000546560121 940853325 /nfs/dbraw/zinc/85/33/25/940853325.db2.gz UAHQZGKOLBVWNW-UHFFFAOYSA-N 0 0 415.837 4.291 20 5 HIBDRN COc1ccc(Cc2nc(Cc3ccc(Br)c(F)c3)no2)cc1[N+](=O)[O-] ZINC000546560145 940853343 /nfs/dbraw/zinc/85/33/43/940853343.db2.gz HYHZPEPTZLTVJN-UHFFFAOYSA-N 0 0 422.210 4.070 20 5 HIBDRN C[C@H]1CCCN1C(=O)c1ccc(-c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000546561258 940853699 /nfs/dbraw/zinc/85/36/99/940853699.db2.gz NANYZXSSMCJWMF-ZDUSSCGKSA-N 0 0 417.425 4.418 20 5 HIBDRN C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000546561256 940853706 /nfs/dbraw/zinc/85/37/06/940853706.db2.gz NANYZXSSMCJWMF-CYBMUJFWSA-N 0 0 417.425 4.418 20 5 HIBDRN Cc1sc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2N)nc1-c1ccc(Cl)cc1 ZINC000546853505 940895533 /nfs/dbraw/zinc/89/55/33/940895533.db2.gz BLOWASJDEQMXDC-SECBINFHSA-N 0 0 417.878 4.148 20 5 HIBDRN NC(=O)[C@H](Cc1ccc(Cl)cc1)Sc1ccc(Br)cc1[N+](=O)[O-] ZINC000546858685 940896736 /nfs/dbraw/zinc/89/67/36/940896736.db2.gz ZAXHAEIYPKIFIB-AWEZNQCLSA-N 0 0 415.696 4.199 20 5 HIBDRN COc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1OC(C)C ZINC000546868431 940898187 /nfs/dbraw/zinc/89/81/87/940898187.db2.gz MKRUCZSJSMVPOA-UHFFFAOYSA-N 0 0 408.838 4.452 20 5 HIBDRN CCCc1c(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cnn1-c1cc(C)ccn1 ZINC000546903137 940907182 /nfs/dbraw/zinc/90/71/82/940907182.db2.gz ABBGYLHMMMEMOF-UHFFFAOYSA-N 0 0 416.441 4.237 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(-c3ccc(S(=O)(=O)c4ccccc4)s3)n2)c1 ZINC000546933674 940918092 /nfs/dbraw/zinc/91/80/92/940918092.db2.gz XVSKZZHHMAFHPN-UHFFFAOYSA-N 0 0 413.436 4.206 20 5 HIBDRN O=[N+]([O-])c1ccccc1Cc1noc(C2(c3cccc(Br)c3)CC2)n1 ZINC000546948270 940923322 /nfs/dbraw/zinc/92/33/22/940923322.db2.gz HHWNUYUZLXZTFM-UHFFFAOYSA-N 0 0 400.232 4.411 20 5 HIBDRN Nc1ccc(-c2noc(CSc3cccc(Br)c3)n2)cc1[N+](=O)[O-] ZINC000546966766 940930760 /nfs/dbraw/zinc/93/07/60/940930760.db2.gz BBQCSRZRSQARHN-UHFFFAOYSA-N 0 0 407.249 4.282 20 5 HIBDRN Cc1ccc(-c2noc(Cc3ccccc3I)n2)cc1[N+](=O)[O-] ZINC000546976958 940934369 /nfs/dbraw/zinc/93/43/69/940934369.db2.gz HFQMCHMMJABCLF-UHFFFAOYSA-N 0 0 421.194 4.149 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2cccc(C(=O)NCc3ccco3)c2)no1 ZINC000546980134 940935686 /nfs/dbraw/zinc/93/56/86/940935686.db2.gz IJVSRIBHSOZZKD-UHFFFAOYSA-N 0 0 404.382 4.143 20 5 HIBDRN Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)C2)cc1 ZINC000546984440 940939492 /nfs/dbraw/zinc/93/94/92/940939492.db2.gz YZVQEVMFZXAAEX-GOSISDBHSA-N 0 0 406.442 4.281 20 5 HIBDRN O=[N+]([O-])c1ccc(NCCCc2nc(-c3cccnc3N3CCCCC3)no2)cc1 ZINC000546991456 940945093 /nfs/dbraw/zinc/94/50/93/940945093.db2.gz OZAHQPMSRBOCQV-UHFFFAOYSA-N 0 0 408.462 4.075 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3nc(Cc4cn5ccccc5n4)no3)cs2)c1 ZINC000547013515 940956680 /nfs/dbraw/zinc/95/66/80/940956680.db2.gz LLONVFOBZNPJCI-UHFFFAOYSA-N 0 0 404.411 4.007 20 5 HIBDRN O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4ccc(Oc5ncccn5)cc4)no3)c2c1 ZINC000547040173 940970869 /nfs/dbraw/zinc/97/08/69/940970869.db2.gz RNZQHQBLVMGMOK-UHFFFAOYSA-N 0 0 414.381 4.299 20 5 HIBDRN COc1ccc(Br)cc1-c1noc(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000547053436 940976238 /nfs/dbraw/zinc/97/62/38/940976238.db2.gz SMZOTJPRNPRGMP-UHFFFAOYSA-N 0 0 404.220 4.315 20 5 HIBDRN C[C@@H]1CCC[C@@H](c2noc(-c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)C1 ZINC000547057642 940977839 /nfs/dbraw/zinc/97/78/39/940977839.db2.gz ZYXVKANGBOHUDA-VXGBXAGGSA-N 0 0 400.464 4.218 20 5 HIBDRN Cc1cccc2[nH]cc(Cc3noc(-c4cc(=O)[nH]c5ccc([N+](=O)[O-])cc54)n3)c21 ZINC000547082284 940987507 /nfs/dbraw/zinc/98/75/07/940987507.db2.gz AMBOONWMRSBOCS-UHFFFAOYSA-N 0 0 401.382 4.279 20 5 HIBDRN O=[N+]([O-])c1ccccc1NCCc1noc(-c2cnc(Cc3ccccc3)s2)n1 ZINC000547083062 940988027 /nfs/dbraw/zinc/98/80/27/940988027.db2.gz ICEPHETTZZGXSR-UHFFFAOYSA-N 0 0 407.455 4.347 20 5 HIBDRN C/C(=C/c1nc([C@@H]2CN(Cc3ccccc3)CCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000547091501 940992180 /nfs/dbraw/zinc/99/21/80/940992180.db2.gz FPJMUPTWEVRRPE-JDQHYLEWSA-N 0 0 406.442 4.112 20 5 HIBDRN C[C@H]1CCCN(c2ccc(-c3nc(-c4ccc5[nH]c(=O)[nH]c5c4)no3)cc2[N+](=O)[O-])C1 ZINC000547149787 941011915 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CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC000547372094 941059157 /nfs/dbraw/zinc/05/91/57/941059157.db2.gz GPHDXZVTNBXYJZ-UHFFFAOYSA-N 0 0 406.442 4.374 20 5 HIBDRN O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000547746731 941074545 /nfs/dbraw/zinc/07/45/45/941074545.db2.gz VAMGDBAXPHZMQM-UHFFFAOYSA-N 0 0 415.840 4.372 20 5 HIBDRN Cc1cn(C2CCCCC2)nc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000547991281 941082445 /nfs/dbraw/zinc/08/24/45/941082445.db2.gz GACAHGHOVBLRPP-UHFFFAOYSA-N 0 0 409.446 4.171 20 5 HIBDRN O=C(NCCCO[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000548308274 941095146 /nfs/dbraw/zinc/09/51/46/941095146.db2.gz JDKSXRRUVTZQCW-FQEVSTJZSA-N 0 0 400.431 4.050 20 5 HIBDRN CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000548357180 941097394 /nfs/dbraw/zinc/09/73/94/941097394.db2.gz UQCJPZISLHBDEI-UHFFFAOYSA-N 0 0 418.403 4.108 20 5 HIBDRN COc1ccc(Cc2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1OC ZINC000548359304 941097655 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413.484 4.175 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](COc2ccccc2)C1 ZINC000551259989 941437774 /nfs/dbraw/zinc/43/77/74/941437774.db2.gz SXAPAXJUFSCAFO-CQSZACIVSA-N 0 0 419.275 4.207 20 5 HIBDRN Cc1cccc2c1OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000551282751 941442674 /nfs/dbraw/zinc/44/26/74/941442674.db2.gz PUFQOYSDKIEMQO-MRXNPFEDSA-N 0 0 405.248 4.228 20 5 HIBDRN CCc1c(C(=O)CNc2cc(Br)cc([N+](=O)[O-])c2)[nH]c(C)c1C(C)=O ZINC000551359323 941461087 /nfs/dbraw/zinc/46/10/87/941461087.db2.gz GEECHZXDEBVAHI-UHFFFAOYSA-N 0 0 408.252 4.054 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000551401554 941469976 /nfs/dbraw/zinc/46/99/76/941469976.db2.gz HBDQVHVOPCVEFA-FQEVSTJZSA-N 0 0 407.392 4.081 20 5 HIBDRN CSc1ccc(F)cc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551493619 941489849 /nfs/dbraw/zinc/48/98/49/941489849.db2.gz OUIWHVSBTUOQEM-UHFFFAOYSA-N 0 0 419.478 4.008 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cnc(-c2ccncc2)s1 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0 0 415.247 4.250 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1(c2ccccc2Br)CC1 ZINC000552715459 941743717 /nfs/dbraw/zinc/74/37/17/941743717.db2.gz PREJMMLBCAXANM-UHFFFAOYSA-N 0 0 403.276 4.090 20 5 HIBDRN O=C(Nc1ccc2oc(CO)cc2c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000552773465 941758225 /nfs/dbraw/zinc/75/82/25/941758225.db2.gz ZZCYPWMPMIFNTQ-UHFFFAOYSA-N 0 0 410.304 4.027 20 5 HIBDRN COc1ccc(CC(=O)Nc2cccc3cc(Br)cnc32)cc1[N+](=O)[O-] ZINC000552807477 941770675 /nfs/dbraw/zinc/77/06/75/941770675.db2.gz HUFDRJPURKSVKJ-UHFFFAOYSA-N 0 0 416.231 4.095 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000552841930 941785872 /nfs/dbraw/zinc/78/58/72/941785872.db2.gz LOICVILZBFUCFS-YWZLYKJASA-N 0 0 420.473 4.253 20 5 HIBDRN C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000552849594 941786776 /nfs/dbraw/zinc/78/67/76/941786776.db2.gz YOGGAYHZFSSVHE-DEOSSOPVSA-N 0 0 423.513 4.015 20 5 HIBDRN COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000552863884 941792273 /nfs/dbraw/zinc/79/22/73/941792273.db2.gz KOYNTEZJSHMWPT-SANMLTNESA-N 0 0 410.473 4.345 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3nc4c(s3)CSCC4)cc2[N+](=O)[O-])C1 ZINC000552976063 941811118 /nfs/dbraw/zinc/81/11/18/941811118.db2.gz FFBYKBXJKRUVAO-GFCCVEGCSA-N 0 0 418.544 4.329 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)Cc3cccc(C)c3C)cc2)c(C)c1[N+](=O)[O-] ZINC000553000082 941813720 /nfs/dbraw/zinc/81/37/20/941813720.db2.gz NDPYTYOLRTYMRS-UHFFFAOYSA-N 0 0 406.486 4.345 20 5 HIBDRN O=C(Nc1ncc(-c2cccnc2)s1)c1ccc([N+](=O)[O-])cc1Br ZINC000553104020 941833617 /nfs/dbraw/zinc/83/36/17/941833617.db2.gz HVYKDILHAKHFET-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ncc(-c2cccnc2)s1 ZINC000553117125 941835323 /nfs/dbraw/zinc/83/53/23/941835323.db2.gz SBDPXUJYRNZQMD-UHFFFAOYSA-N 0 0 404.835 4.174 20 5 HIBDRN O=c1[nH]c(NCc2nc(-c3cc4ccccc4o3)cs2)nc2ccc([N+](=O)[O-])cc12 ZINC000553205374 941849100 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20 5 HIBDRN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000553255920 941857288 /nfs/dbraw/zinc/85/72/88/941857288.db2.gz ISUGYTHYDAERKJ-MRXNPFEDSA-N 0 0 406.236 4.102 20 5 HIBDRN Cc1c(CC(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)cccc1[N+](=O)[O-] ZINC000553260157 941857705 /nfs/dbraw/zinc/85/77/05/941857705.db2.gz ACAZCDCGGCKEJU-UHFFFAOYSA-N 0 0 402.454 4.042 20 5 HIBDRN CS(=O)(=O)c1cccc(NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000553266738 941858423 /nfs/dbraw/zinc/85/84/23/941858423.db2.gz ROSSLJUBGZDAHF-QGZVFWFLSA-N 0 0 424.906 4.232 20 5 HIBDRN CSc1cccc(F)c1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000553266803 941858561 /nfs/dbraw/zinc/85/85/61/941858561.db2.gz VEKXUGQJQZNLNQ-UHFFFAOYSA-N 0 0 400.435 4.032 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000553296808 941863127 /nfs/dbraw/zinc/86/31/27/941863127.db2.gz RAGOAXMGNSOLMC-NSHGMRRFSA-N 0 0 402.454 4.189 20 5 HIBDRN O=C(CN[C@@H](COCc1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000553329265 941868422 /nfs/dbraw/zinc/86/84/22/941868422.db2.gz AFOKTYZKGDHEIQ-NRFANRHFSA-N 0 0 405.454 4.081 20 5 HIBDRN O=C1CCc2cc([N+](=O)[O-])c(N[C@H](CCO)c3ccc(Cl)c(Cl)c3)cc2N1 ZINC000553336382 941869184 /nfs/dbraw/zinc/86/91/84/941869184.db2.gz QRRZTXNHDKKHSC-CQSZACIVSA-N 0 0 410.257 4.322 20 5 HIBDRN C[C@H](C(=O)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000553414781 941881422 /nfs/dbraw/zinc/88/14/22/941881422.db2.gz LEAZQMXZQBPEHD-KQPNJSLMSA-N 0 0 408.376 4.232 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc2c(cccc2Cl)[nH]1 ZINC000553419333 941882036 /nfs/dbraw/zinc/88/20/36/941882036.db2.gz RGISSNUGRSAIOG-UHFFFAOYSA-N 0 0 402.841 4.323 20 5 HIBDRN CN(CCc1nc(-c2ccccc2)no1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000553423055 941882393 /nfs/dbraw/zinc/88/23/93/941882393.db2.gz VUTGVARHVMUDGX-UHFFFAOYSA-N 0 0 408.458 4.257 20 5 HIBDRN C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000553423497 941882484 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4.173 20 5 HIBDRN O=C(Nc1nc(C2CCOCC2)cs1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000553655104 941936390 /nfs/dbraw/zinc/93/63/90/941936390.db2.gz SHERSYIOVLZNMB-UHFFFAOYSA-N 0 0 405.479 4.284 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000553778268 941966094 /nfs/dbraw/zinc/96/60/94/941966094.db2.gz GMOFUPKKRYALDW-LLVKDONJSA-N 0 0 406.364 4.193 20 5 HIBDRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000553806536 941973114 /nfs/dbraw/zinc/97/31/14/941973114.db2.gz INFJCPLXQXVQEN-CQSZACIVSA-N 0 0 409.408 4.429 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)ccc1[N+](=O)[O-] ZINC000554084153 942032781 /nfs/dbraw/zinc/03/27/81/942032781.db2.gz GUYFSNZMYMOEKE-UHFFFAOYSA-N 0 0 411.433 4.309 20 5 HIBDRN CCOC(=O)c1c(C2CC2)csc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000554261817 942083672 /nfs/dbraw/zinc/08/36/72/942083672.db2.gz XZRATPSSFRPNAI-UHFFFAOYSA-N 0 0 417.487 4.417 20 5 HIBDRN COc1cc(CN[C@@H](CCO)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000554283126 942090295 /nfs/dbraw/zinc/09/02/95/942090295.db2.gz KJFNPDFLHPIQJZ-AWEZNQCLSA-N 0 0 416.808 4.072 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)cn1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000554299734 942095484 /nfs/dbraw/zinc/09/54/84/942095484.db2.gz OGNQFIRHWZRLNS-UHFFFAOYSA-N 0 0 414.368 4.456 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCn2c(cc3ccccc32)C1 ZINC000554306226 942097887 /nfs/dbraw/zinc/09/78/87/942097887.db2.gz HQOZEQCBQDBTKY-AWEZNQCLSA-N 0 0 412.877 4.436 20 5 HIBDRN CCCN(CC1CCCCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000554415045 942133097 /nfs/dbraw/zinc/13/30/97/942133097.db2.gz SVQXAFRNIPOUNQ-INIZCTEOSA-N 0 0 407.536 4.080 20 5 HIBDRN COc1cc(OC)cc(C2(F)CCN(c3cc([N+](=O)[O-])ccc3C(C)=O)CC2)c1 ZINC000554685727 942198783 /nfs/dbraw/zinc/19/87/83/942198783.db2.gz NJKWUXJBQQZWHW-UHFFFAOYSA-N 0 0 402.422 4.280 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c(F)cc(Br)cc1F ZINC000554782100 942234561 /nfs/dbraw/zinc/23/45/61/942234561.db2.gz IYZKWBAUDGJTQU-UHFFFAOYSA-N 0 0 424.201 4.089 20 5 HIBDRN O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4cccnc4N4CCCC4)no3)cc21 ZINC000554803669 942248490 /nfs/dbraw/zinc/24/84/90/942248490.db2.gz WPLPVSHIVYKYQF-UHFFFAOYSA-N 0 0 409.449 4.394 20 5 HIBDRN Cc1cc(C)n(-c2ccc(Cl)c(-c3nc(-c4ccc([N+](=O)[O-])cc4C)no3)n2)n1 ZINC000554809871 942252841 /nfs/dbraw/zinc/25/28/41/942252841.db2.gz ILPSTXQCDGQYIN-UHFFFAOYSA-N 0 0 410.821 4.471 20 5 HIBDRN COc1ccccc1Nc1ncccc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554828917 942266773 /nfs/dbraw/zinc/26/67/73/942266773.db2.gz UJMGGWPYDSEITM-UHFFFAOYSA-N 0 0 406.442 4.057 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000554843873 942282259 /nfs/dbraw/zinc/28/22/59/942282259.db2.gz PHGVRLGBNKUKPY-UHFFFAOYSA-N 0 0 415.799 4.380 20 5 HIBDRN Cc1nn(CCc2nc([C@H](c3ccc(Cl)cc3)C(C)C)no2)c(C)c1[N+](=O)[O-] ZINC000554844959 942283255 /nfs/dbraw/zinc/28/32/55/942283255.db2.gz TWLMHLUJLQPPGB-KRWDZBQOSA-N 0 0 403.870 4.475 20 5 HIBDRN COC(=O)c1cccc(-c2nc(CN(C)CCc3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000554846172 942284936 /nfs/dbraw/zinc/28/49/36/942284936.db2.gz MEXTUBIKHGUJGD-UHFFFAOYSA-N 0 0 411.483 4.179 20 5 HIBDRN COc1cccc(C2(c3noc(-c4cc(OC)c(OC)c([N+](=O)[O-])c4)n3)CCC2)c1 ZINC000554846956 942285733 /nfs/dbraw/zinc/28/57/33/942285733.db2.gz GWEBFUCKSHQWEY-UHFFFAOYSA-N 0 0 411.414 4.141 20 5 HIBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000554852616 942289638 /nfs/dbraw/zinc/28/96/38/942289638.db2.gz MFQKXLRGZQLCOZ-UHFFFAOYSA-N 0 0 412.490 4.220 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2scc(CC(C)C)c2C(=O)OC)c1 ZINC000554881769 942306665 /nfs/dbraw/zinc/30/66/65/942306665.db2.gz NKLBXDADUDVDGA-UHFFFAOYSA-N 0 0 406.460 4.292 20 5 HIBDRN Cc1cc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)ccc1OC1CCOCC1 ZINC000554884527 942307456 /nfs/dbraw/zinc/30/74/56/942307456.db2.gz KNSJGQCRFWZHNH-UHFFFAOYSA-N 0 0 413.474 4.167 20 5 HIBDRN 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ZINC000555041340 942367568 /nfs/dbraw/zinc/36/75/68/942367568.db2.gz OIGXIAIYQUPXGQ-UHFFFAOYSA-N 0 0 422.363 4.076 20 5 HIBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1N1CCCC1=O ZINC000555138795 942400223 /nfs/dbraw/zinc/40/02/23/942400223.db2.gz YIVBOJXISICDNF-UHFFFAOYSA-N 0 0 423.347 4.001 20 5 HIBDRN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)C1 ZINC000555149840 942405765 /nfs/dbraw/zinc/40/57/65/942405765.db2.gz YEOFIYWGXVMVCN-OAQYLSRUSA-N 0 0 421.501 4.153 20 5 HIBDRN CO[C@@]1(C)CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CCc2ccccc2)C1 ZINC000555188063 942423585 /nfs/dbraw/zinc/42/35/85/942423585.db2.gz FAPNGOJHLOPGGU-QHCPKHFHSA-N 0 0 421.501 4.101 20 5 HIBDRN COc1ccc(CCN(CC(C)C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000555312153 942472360 /nfs/dbraw/zinc/47/23/60/942472360.db2.gz YILSHIYUYKZLPI-QGZVFWFLSA-N 0 0 414.502 4.443 20 5 HIBDRN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@]2(C1)OCc1ccccc12 ZINC000555389314 942509608 /nfs/dbraw/zinc/50/96/08/942509608.db2.gz NOBVSGMHARPGBR-HSZRJFAPSA-N 0 0 419.485 4.145 20 5 HIBDRN O=C(NC1CCCCC1)C1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555404163 942518219 /nfs/dbraw/zinc/51/82/19/942518219.db2.gz BRLYMNAOASCAND-UHFFFAOYSA-N 0 0 413.440 4.275 20 5 HIBDRN Cc1cccc(-c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2Cc2cccs2)n1 ZINC000555439620 942539501 /nfs/dbraw/zinc/53/95/01/942539501.db2.gz ASRPBJBMJXTBNX-UHFFFAOYSA-N 0 0 420.498 4.303 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000555737638 942716306 /nfs/dbraw/zinc/71/63/06/942716306.db2.gz ZGXNEHGSVOTQBX-JKSUJKDBSA-N 0 0 418.453 4.223 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555736737 942716769 /nfs/dbraw/zinc/71/67/69/942716769.db2.gz HTFNUNSPUFGLLE-CQSZACIVSA-N 0 0 405.410 4.228 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000555836445 942747221 /nfs/dbraw/zinc/74/72/21/942747221.db2.gz ODUCZDLVGOOUJY-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN CCCN(CCc1ccccn1)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000555842518 942749147 /nfs/dbraw/zinc/74/91/47/942749147.db2.gz MRPUKXFMSOBBHZ-UHFFFAOYSA-N 0 0 406.280 4.156 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000555884689 942765598 /nfs/dbraw/zinc/76/55/98/942765598.db2.gz GWVRYVCOAFFMCF-LLVKDONJSA-N 0 0 407.264 4.075 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000555884690 942765628 /nfs/dbraw/zinc/76/56/28/942765628.db2.gz GWVRYVCOAFFMCF-NSHDSACASA-N 0 0 407.264 4.075 20 5 HIBDRN C[C@@H](NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000555929996 942774339 /nfs/dbraw/zinc/77/43/39/942774339.db2.gz XCJWJJFXTNXYCB-CYBMUJFWSA-N 0 0 417.893 4.402 20 5 HIBDRN CC(C)(C)Oc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)nc1 ZINC000556080408 942802784 /nfs/dbraw/zinc/80/27/84/942802784.db2.gz FSJFGSALGQYYRN-UHFFFAOYSA-N 0 0 411.380 4.372 20 5 HIBDRN C[C@@H](SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCCc1cccs1 ZINC000556280302 942832356 /nfs/dbraw/zinc/83/23/56/942832356.db2.gz XUWDJLCEFZOIGM-CYBMUJFWSA-N 0 0 417.512 4.292 20 5 HIBDRN CCOC(=O)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000556287977 942833734 /nfs/dbraw/zinc/83/37/34/942833734.db2.gz YHIDJPOCGCMGCG-UHFFFAOYSA-N 0 0 410.348 4.362 20 5 HIBDRN O=C1CCN1c1cccc(-c2noc(-c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)c1 ZINC000556333582 942843391 /nfs/dbraw/zinc/84/33/91/942843391.db2.gz MSYGTHGWGGAGOM-UHFFFAOYSA-N 0 0 408.417 4.135 20 5 HIBDRN C[C@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1OCCc2sccc21 ZINC000556340469 942845134 /nfs/dbraw/zinc/84/51/34/942845134.db2.gz GEVRBKDPDXNGLM-OEPMTFCVSA-N 0 0 404.513 4.180 20 5 HIBDRN CC[C@@H]1CCCC[C@H]1c1noc(CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)n1 ZINC000556388290 942854833 /nfs/dbraw/zinc/85/48/33/942854833.db2.gz SYQNMMSGDIVZAE-UKRRQHHQSA-N 0 0 400.435 4.202 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000556453904 942872515 /nfs/dbraw/zinc/87/25/15/942872515.db2.gz OJOCPXYASIUUPF-HNNXBMFYSA-N 0 0 409.211 4.058 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000556463603 942875171 /nfs/dbraw/zinc/87/51/71/942875171.db2.gz YWBVKCDQEZPJJN-IBGZPJMESA-N 0 0 411.458 4.262 20 5 HIBDRN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556464884 942875407 /nfs/dbraw/zinc/87/54/07/942875407.db2.gz VTFBEXLDWXPJAF-UHFFFAOYSA-N 0 0 418.251 4.244 20 5 HIBDRN CC(C)(C)c1noc2ncc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)cc21 ZINC000556468387 942876773 /nfs/dbraw/zinc/87/67/73/942876773.db2.gz PONDSFZYMKBWOB-UHFFFAOYSA-N 0 0 419.235 4.443 20 5 HIBDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556527859 942892257 /nfs/dbraw/zinc/89/22/57/942892257.db2.gz YNELRZUAFVVQLJ-DOTOQJQBSA-N 0 0 407.536 4.011 20 5 HIBDRN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)c1 ZINC000556641625 942924863 /nfs/dbraw/zinc/92/48/63/942924863.db2.gz OKJBXVAEIVUWQE-UHFFFAOYSA-N 0 0 414.849 4.462 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)Cc1coc2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000556786630 942932824 /nfs/dbraw/zinc/93/28/24/942932824.db2.gz KHVZCJNSJNZHBR-SFHVURJKSA-N 0 0 410.426 4.083 20 5 HIBDRN Cn1ccnc1[C@H](NCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000556858292 942942452 /nfs/dbraw/zinc/94/24/52/942942452.db2.gz KAVJYLUAWJYSKI-GOSISDBHSA-N 0 0 420.391 4.149 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1cc(F)cc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000556862904 942943691 /nfs/dbraw/zinc/94/36/91/942943691.db2.gz IOVMEQSDLJCLJF-KRWDZBQOSA-N 0 0 419.254 4.109 20 5 HIBDRN C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000556872507 942945483 /nfs/dbraw/zinc/94/54/83/942945483.db2.gz PAVXNPVJGVIXMF-KUHUBIRLSA-N 0 0 400.866 4.128 20 5 HIBDRN COc1ccc(C2(CN[C@@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC000556889273 942952475 /nfs/dbraw/zinc/95/24/75/942952475.db2.gz BRYZHXAYBCVOFP-OAQYLSRUSA-N 0 0 406.486 4.138 20 5 HIBDRN Cn1ccnc1[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000556896525 942956611 /nfs/dbraw/zinc/95/66/11/942956611.db2.gz ZLOOQTYWUZJADY-SFTDATJTSA-N 0 0 408.458 4.088 20 5 HIBDRN COc1cc2nc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)sc2cc1OC ZINC000557005192 942992254 /nfs/dbraw/zinc/99/22/54/942992254.db2.gz GEPHYVFNYLOPBX-UHFFFAOYSA-N 0 0 401.444 4.399 20 5 HIBDRN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1OCCc2sccc21 ZINC000557075082 943013732 /nfs/dbraw/zinc/01/37/32/943013732.db2.gz ZCUDVVBELQARDI-OYLFLEFRSA-N 0 0 418.518 4.035 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000557078491 943015223 /nfs/dbraw/zinc/01/52/23/943015223.db2.gz DOQSUIAOGAUQJT-HNNXBMFYSA-N 0 0 408.376 4.399 20 5 HIBDRN O=C(NCc1cc(F)c(F)cc1Br)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000557141411 943029108 /nfs/dbraw/zinc/02/91/08/943029108.db2.gz DNLZJZIKXRPJRA-UHFFFAOYSA-N 0 0 422.185 4.114 20 5 HIBDRN COc1ccccc1O[C@H]1CCCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000557146887 943030672 /nfs/dbraw/zinc/03/06/72/943030672.db2.gz DGRTYCNDSHEXLY-HNNXBMFYSA-N 0 0 402.472 4.009 20 5 HIBDRN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000557180774 943042424 /nfs/dbraw/zinc/04/24/24/943042424.db2.gz XJJYGOSSHFALLK-QGZVFWFLSA-N 0 0 415.247 4.115 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1ccco1)Cc1cccnc1 ZINC000557242299 943058501 /nfs/dbraw/zinc/05/85/01/943058501.db2.gz BJTCCYIBMLYTHW-UHFFFAOYSA-N 0 0 418.356 4.419 20 5 HIBDRN Cc1cccc(Nc2nnc(Sc3ncnc4sc([N+](=O)[O-])cc43)s2)c1 ZINC000557478208 943155062 /nfs/dbraw/zinc/15/50/62/943155062.db2.gz INJOBZVZPTWPMR-UHFFFAOYSA-N 0 0 402.486 4.654 20 5 HIBDRN COc1ccc(NC(=O)CNC2(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000557484604 943160409 /nfs/dbraw/zinc/16/04/09/943160409.db2.gz OBMYYHKMLZEQEO-UHFFFAOYSA-N 0 0 410.257 4.128 20 5 HIBDRN Cc1c(Oc2ncnc(CC(C)C)c2I)cccc1[N+](=O)[O-] ZINC000557502191 943171468 /nfs/dbraw/zinc/17/14/68/943171468.db2.gz PHOWEXANBNNPCH-UHFFFAOYSA-N 0 0 413.215 4.289 20 5 HIBDRN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000557607186 943228342 /nfs/dbraw/zinc/22/83/42/943228342.db2.gz JCLDOBARDHNVCT-QWRGUYRKSA-N 0 0 406.364 4.867 20 5 HIBDRN CC(=O)c1ccc(Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)c([N+](=O)[O-])c1 ZINC000557674172 943255022 /nfs/dbraw/zinc/25/50/22/943255022.db2.gz WXHTWBQDAPZCFK-UHFFFAOYSA-N 0 0 407.398 4.245 20 5 HIBDRN COCCCOc1ccc(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1OC ZINC000557692012 943260400 /nfs/dbraw/zinc/26/04/00/943260400.db2.gz HPDYLSKVFGHIPC-UHFFFAOYSA-N 0 0 401.341 4.176 20 5 HIBDRN CCSc1cccc(CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000557729315 943271995 /nfs/dbraw/zinc/27/19/95/943271995.db2.gz AMUPZBITIPTXDO-UHFFFAOYSA-N 0 0 412.414 4.247 20 5 HIBDRN CCC1(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CCOCC1 ZINC000557729784 943272857 /nfs/dbraw/zinc/27/28/57/943272857.db2.gz JCNQNPOQWXMEHR-IRXDYDNUSA-N 0 0 403.523 4.014 20 5 HIBDRN CCc1ccc([C@H]2CCCN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])C2)cc1 ZINC000557762753 943283430 /nfs/dbraw/zinc/28/34/30/943283430.db2.gz VPFHEJRBPOIEQD-NRFANRHFSA-N 0 0 423.513 4.014 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)ccc1Cl ZINC000557805257 943297246 /nfs/dbraw/zinc/29/72/46/943297246.db2.gz XYJMIAJVRQPWNU-UHFFFAOYSA-N 0 0 404.822 4.126 20 5 HIBDRN Cc1cc2cc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)ccc2n(C)c1=O ZINC000557858738 943314616 /nfs/dbraw/zinc/31/46/16/943314616.db2.gz YVSCXIIHNRUIQP-UHFFFAOYSA-N 0 0 420.450 4.131 20 5 HIBDRN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000557913894 943327565 /nfs/dbraw/zinc/32/75/65/943327565.db2.gz NFKVWUQAPUANTO-MRXNPFEDSA-N 0 0 415.468 4.171 20 5 HIBDRN CC(C)(NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000557967098 943342323 /nfs/dbraw/zinc/34/23/23/943342323.db2.gz JALNJYCUBXOQEK-KRWDZBQOSA-N 0 0 410.518 4.453 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000557973141 943343557 /nfs/dbraw/zinc/34/35/57/943343557.db2.gz WMTYLTAKHXGUNL-TZMCWYRMSA-N 0 0 411.380 4.007 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(C)c1OC ZINC000557989458 943348081 /nfs/dbraw/zinc/34/80/81/943348081.db2.gz CFXQRNBICNDAGD-LLVKDONJSA-N 0 0 410.373 4.013 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000558088002 943377388 /nfs/dbraw/zinc/37/73/88/943377388.db2.gz CVEARLRBLCNMKZ-HNNXBMFYSA-N 0 0 413.455 4.130 20 5 HIBDRN COc1cc(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000558168219 943405571 /nfs/dbraw/zinc/40/55/71/943405571.db2.gz CSAOBMDYUIUQKH-GOSISDBHSA-N 0 0 412.364 4.076 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000558282637 943481383 /nfs/dbraw/zinc/48/13/83/943481383.db2.gz AZRPQCGGJAMYRC-CXAGYDPISA-N 0 0 416.503 4.480 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccncc1C(F)(F)F ZINC000558382577 943537958 /nfs/dbraw/zinc/53/79/58/943537958.db2.gz UXZFSAMZNWBFRA-UHFFFAOYSA-N 0 0 418.169 4.010 20 5 HIBDRN CCOc1ccc(Oc2cc(CNc3ncnc4cccc([N+](=O)[O-])c43)ccn2)cc1 ZINC000558390104 943543012 /nfs/dbraw/zinc/54/30/12/943543012.db2.gz FTRGWGGMVNPNJS-UHFFFAOYSA-N 0 0 417.425 4.736 20 5 HIBDRN CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000558396619 943546303 /nfs/dbraw/zinc/54/63/03/943546303.db2.gz BYAOJUPCNGFXQS-LJQANCHMSA-N 0 0 400.822 4.353 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1ccc(Br)cc1F ZINC000558471257 943568454 /nfs/dbraw/zinc/56/84/54/943568454.db2.gz YQQUJLCRTOHTAG-NSHDSACASA-N 0 0 410.243 4.094 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](CO)c1cccc(Br)c1 ZINC000558513437 943582767 /nfs/dbraw/zinc/58/27/67/943582767.db2.gz LLNGOUAOMVLLPY-QGZVFWFLSA-N 0 0 422.279 4.117 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000558520763 943587495 /nfs/dbraw/zinc/58/74/95/943587495.db2.gz ZCGYZDLTLBBBFN-UHFFFAOYSA-N 0 0 410.257 4.061 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc(-c2ccncc2)cc1 ZINC000558627899 943620730 /nfs/dbraw/zinc/62/07/30/943620730.db2.gz AJHVXPOEDLXETO-UHFFFAOYSA-N 0 0 415.453 4.180 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000558757359 943648470 /nfs/dbraw/zinc/64/84/70/943648470.db2.gz DBRTVSGGAPCZHG-UHFFFAOYSA-N 0 0 415.343 4.381 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)c1 ZINC000558762725 943650478 /nfs/dbraw/zinc/65/04/78/943650478.db2.gz XVXFOGDIJRDPSF-UHFFFAOYSA-N 0 0 417.849 4.135 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000558805707 943670918 /nfs/dbraw/zinc/67/09/18/943670918.db2.gz MGWOWSUFWJTDST-UHFFFAOYSA-N 0 0 404.850 4.083 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)c1 ZINC000558806931 943671380 /nfs/dbraw/zinc/67/13/80/943671380.db2.gz DVTUWZXTTJKXSY-ORAYPTAESA-N 0 0 404.850 4.249 20 5 HIBDRN CCc1nc2cc(CNC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)ccc2n1C1CC1 ZINC000558812255 943673721 /nfs/dbraw/zinc/67/37/21/943673721.db2.gz FNUSPXLGQBEPAL-ZDUSSCGKSA-N 0 0 410.449 4.401 20 5 HIBDRN O=C(Nc1cccc(Br)c1Cl)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000558819337 943678084 /nfs/dbraw/zinc/67/80/84/943678084.db2.gz HKKCBRUHLOGWHZ-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CC[C@](F)(c2ccccc2F)C1 ZINC000558823613 943679772 /nfs/dbraw/zinc/67/97/72/943679772.db2.gz QFDKHDVZMNJCAT-QGZVFWFLSA-N 0 0 400.303 4.464 20 5 HIBDRN Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000558852142 943700845 /nfs/dbraw/zinc/70/08/45/943700845.db2.gz FPKQBYZZBKVDEF-UHFFFAOYSA-N 0 0 402.454 4.479 20 5 HIBDRN Cc1c(NC(=O)c2cccc(C)c2[N+](=O)[O-])nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000558908647 943740857 /nfs/dbraw/zinc/74/08/57/943740857.db2.gz USGRYZNNVJDRRF-UHFFFAOYSA-N 0 0 419.363 4.123 20 5 HIBDRN O=C(COc1ccc(F)cc1[N+](=O)[O-])N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000559013335 943804379 /nfs/dbraw/zinc/80/43/79/943804379.db2.gz NWHRPRVKXWJYOZ-UHFFFAOYSA-N 0 0 412.339 4.323 20 5 HIBDRN CN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 ZINC000559183939 943864695 /nfs/dbraw/zinc/86/46/95/943864695.db2.gz VUACKGJYNCBPRV-KRWDZBQOSA-N 0 0 413.503 4.120 20 5 HIBDRN Cc1c(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)cccc1[N+](=O)[O-] ZINC000559247885 943885900 /nfs/dbraw/zinc/88/59/00/943885900.db2.gz LZLCBUJVQVWRGX-UHFFFAOYSA-N 0 0 419.260 4.437 20 5 HIBDRN C[C@@H](OC[C@H](O)COc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Cl)cc1 ZINC000559266705 943887919 /nfs/dbraw/zinc/88/79/19/943887919.db2.gz AQGUQQMIKPKIEJ-CJNGLKHVSA-N 0 0 402.834 4.314 20 5 HIBDRN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000559450863 943959291 /nfs/dbraw/zinc/95/92/91/943959291.db2.gz WMCJTNSIQOCUFF-CQSZACIVSA-N 0 0 407.392 4.133 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-n1cccn1 ZINC000559518131 943993618 /nfs/dbraw/zinc/99/36/18/943993618.db2.gz WGKGDOFEPWLXEC-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(NCc1ccnc(N2CCCCCC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559626444 944020151 /nfs/dbraw/zinc/02/01/51/944020151.db2.gz NNUCPGXIYNYAQT-UHFFFAOYSA-N 0 0 422.407 4.319 20 5 HIBDRN CC(C)(C(=O)N1CCC(CN2CCc3ccccc32)CC1)c1ccccc1[N+](=O)[O-] ZINC000559743258 944042693 /nfs/dbraw/zinc/04/26/93/944042693.db2.gz KRELUZQPAPBJDL-UHFFFAOYSA-N 0 0 407.514 4.174 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000559928542 944088712 /nfs/dbraw/zinc/08/87/12/944088712.db2.gz KTEJKJDOWHWSPG-CYBMUJFWSA-N 0 0 411.449 4.163 20 5 HIBDRN COc1ccc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)ccc2OC(F)F)cc1 ZINC000559933022 944089728 /nfs/dbraw/zinc/08/97/28/944089728.db2.gz YPJINOYYVCUHMM-UHFFFAOYSA-N 0 0 403.341 4.452 20 5 HIBDRN Cc1nc([C@H]2CCCOC2)sc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000560000769 944124346 /nfs/dbraw/zinc/12/43/46/944124346.db2.gz YPKLCENLDITYPK-IFXJQAMLSA-N 0 0 419.528 4.142 20 5 HIBDRN Cc1nc([C@@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)no1 ZINC000560084095 944152375 /nfs/dbraw/zinc/15/23/75/944152375.db2.gz DXSLRAISJHOYCO-HNNXBMFYSA-N 0 0 423.267 4.115 20 5 HIBDRN C[C@@H](NC(=O)N1CCc2ccc(Br)cc2C1)c1ccccc1[N+](=O)[O-] ZINC000560106281 944161120 /nfs/dbraw/zinc/16/11/20/944161120.db2.gz VXNXVHGHLRPPAC-GFCCVEGCSA-N 0 0 404.264 4.186 20 5 HIBDRN CC(C)c1noc2ncc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)cc21 ZINC000560128514 944170215 /nfs/dbraw/zinc/17/02/15/944170215.db2.gz NDZYWDVXLHSKKQ-UHFFFAOYSA-N 0 0 405.208 4.269 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000560145545 944178033 /nfs/dbraw/zinc/17/80/33/944178033.db2.gz CIHSXHRBMMCWNR-HXUWFJFHSA-N 0 0 401.344 4.132 20 5 HIBDRN Cc1[nH]c2ccc(CNC(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc2c1C ZINC000560177176 944187528 /nfs/dbraw/zinc/18/75/28/944187528.db2.gz SPQVUQIGWDXUHQ-UHFFFAOYSA-N 0 0 422.485 4.245 20 5 HIBDRN Cn1ccnc1[C@@H](NCCc1cn(C)c2cc(Cl)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000560548551 944250359 /nfs/dbraw/zinc/25/03/59/944250359.db2.gz IPBTWXAOZRLZSY-NRFANRHFSA-N 0 0 423.904 4.395 20 5 HIBDRN COc1cc(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc([N+](=O)[O-])c1C ZINC000560724988 944311207 /nfs/dbraw/zinc/31/12/07/944311207.db2.gz YOHCNSDBFDGGQQ-UHFFFAOYSA-N 0 0 412.364 4.125 20 5 HIBDRN Cc1cc(CCNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)on1 ZINC000560774859 944328149 /nfs/dbraw/zinc/32/81/49/944328149.db2.gz HAVQROXVOBMGSK-UHFFFAOYSA-N 0 0 401.806 4.309 20 5 HIBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1OC(F)F ZINC000560836835 944351696 /nfs/dbraw/zinc/35/16/96/944351696.db2.gz DCMJTSWABCOCBF-GFCCVEGCSA-N 0 0 419.306 4.268 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2noc(C(C)C)n2)CC1 ZINC000560932122 944372234 /nfs/dbraw/zinc/37/22/34/944372234.db2.gz XMSHWXXKBPJDMX-INIZCTEOSA-N 0 0 400.479 4.076 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1c(F)cccc1N1CCCC1 ZINC000560968171 944379215 /nfs/dbraw/zinc/37/92/15/944379215.db2.gz CEFRVBICXCMHPU-UHFFFAOYSA-N 0 0 423.897 4.396 20 5 HIBDRN COCCC[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000560974373 944382399 /nfs/dbraw/zinc/38/23/99/944382399.db2.gz JFKHUCOTQBNUIW-AWEZNQCLSA-N 0 0 416.865 4.065 20 5 HIBDRN COc1cc(OC)cc(C2(F)CCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000560978863 944383943 /nfs/dbraw/zinc/38/39/43/944383943.db2.gz MTQVMRGWNFXEGK-UHFFFAOYSA-N 0 0 417.437 4.413 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccncc1OCc1ccccc1 ZINC000560993838 944389332 /nfs/dbraw/zinc/38/93/32/944389332.db2.gz HSGQIYWEBKHDRG-UHFFFAOYSA-N 0 0 411.845 4.461 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000560993298 944389608 /nfs/dbraw/zinc/38/96/08/944389608.db2.gz OVWBPEVMHZZWNI-UHFFFAOYSA-N 0 0 406.413 4.280 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000560994391 944389684 /nfs/dbraw/zinc/38/96/84/944389684.db2.gz ONJDNZTVYKYAGE-UHFFFAOYSA-N 0 0 400.438 4.248 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000561010144 944394648 /nfs/dbraw/zinc/39/46/48/944394648.db2.gz OVZMPGFHHQVGNS-MRXNPFEDSA-N 0 0 404.264 4.284 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C ZINC000561019318 944398818 /nfs/dbraw/zinc/39/88/18/944398818.db2.gz BPMSRRQVUREDNI-UHFFFAOYSA-N 0 0 420.494 4.406 20 5 HIBDRN CN(c1ccc(Oc2c(F)cccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000561094942 944446793 /nfs/dbraw/zinc/44/67/93/944446793.db2.gz SMRCWMKHJHFPPG-UHFFFAOYSA-N 0 0 420.393 4.490 20 5 HIBDRN Cc1cccc(NC(=O)Nc2cccc(CNc3cccc(C(N)=O)c3[N+](=O)[O-])c2)c1 ZINC000561127214 944467462 /nfs/dbraw/zinc/46/74/62/944467462.db2.gz JQZZXMBUGRLIKK-UHFFFAOYSA-N 0 0 419.441 4.258 20 5 HIBDRN COc1ccc(Oc2cc(CNc3ncnc4sc([N+](=O)[O-])cc43)ccn2)cc1 ZINC000561134180 944472501 /nfs/dbraw/zinc/47/25/01/944472501.db2.gz WOERCRBZONDIPB-UHFFFAOYSA-N 0 0 409.427 4.408 20 5 HIBDRN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000561138945 944476150 /nfs/dbraw/zinc/47/61/50/944476150.db2.gz RYBIVHSLIVGELO-YPAWHYETSA-N 0 0 402.454 4.189 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)NCc3oc(C)nc3C)cc2[N+](=O)[O-])n1 ZINC000561314695 944548383 /nfs/dbraw/zinc/54/83/83/944548383.db2.gz JTUAPXVUZCGNGI-UHFFFAOYSA-N 0 0 404.473 4.046 20 5 HIBDRN COC(=O)c1cc(C(=O)N(Cc2ccccc2Cl)CC2CC2)cc([N+](=O)[O-])c1 ZINC000561334062 944554273 /nfs/dbraw/zinc/55/42/73/944554273.db2.gz ZAALXNQNSLWAPK-UHFFFAOYSA-N 0 0 402.834 4.087 20 5 HIBDRN CN(CCC(F)(F)F)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000561344882 944558048 /nfs/dbraw/zinc/55/80/48/944558048.db2.gz AXEPPZBLTGZNJY-CQSZACIVSA-N 0 0 403.792 4.076 20 5 HIBDRN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000561374797 944565706 /nfs/dbraw/zinc/56/57/06/944565706.db2.gz RCEKGZUNQFEUFM-CFMSYZGJSA-N 0 0 424.378 4.351 20 5 HIBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000561394417 944577092 /nfs/dbraw/zinc/57/70/92/944577092.db2.gz UNCNYICBBJEDQD-SNVBAGLBSA-N 0 0 424.433 4.013 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000561394514 944577167 /nfs/dbraw/zinc/57/71/67/944577167.db2.gz VWIYADZYYMSDSP-JTQLQIEISA-N 0 0 411.867 4.005 20 5 HIBDRN O=C(CCC(F)(F)F)N1CCC[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000561407741 944583161 /nfs/dbraw/zinc/58/31/61/944583161.db2.gz DTAINJWFMIZLQK-LLVKDONJSA-N 0 0 424.217 4.103 20 5 HIBDRN O=C(Nc1ccc(OCCCO)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000561426848 944591526 /nfs/dbraw/zinc/59/15/26/944591526.db2.gz VNCQMAYWJSUNKL-UHFFFAOYSA-N 0 0 408.410 4.401 20 5 HIBDRN C[C@H](Cc1cncc2ccccc21)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000561607089 944704627 /nfs/dbraw/zinc/70/46/27/944704627.db2.gz FJGKRVRRAQDETM-QGZVFWFLSA-N 0 0 419.481 4.392 20 5 HIBDRN Cc1cc(C(=O)NCC(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000561658062 944732945 /nfs/dbraw/zinc/73/29/45/944732945.db2.gz AJDWIFAAZIDYDI-LBPRGKRZSA-N 0 0 424.284 4.159 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1[N+](=O)[O-] ZINC000561770676 944789339 /nfs/dbraw/zinc/78/93/39/944789339.db2.gz GBVHBSYCHAIEMC-UHFFFAOYSA-N 0 0 408.393 4.205 20 5 HIBDRN O=C(CCc1cccc(Br)c1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561769617 944789427 /nfs/dbraw/zinc/78/94/27/944789427.db2.gz XCRVPRPJSHRDQL-UHFFFAOYSA-N 0 0 416.275 4.130 20 5 HIBDRN C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000561838282 944817418 /nfs/dbraw/zinc/81/74/18/944817418.db2.gz UORGCWULEASBLV-RBZFPXEDSA-N 0 0 409.467 4.151 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1N1CCOCC1 ZINC000561868415 944828989 /nfs/dbraw/zinc/82/89/89/944828989.db2.gz RVOJXYPMTXPFJX-UHFFFAOYSA-N 0 0 420.347 4.167 20 5 HIBDRN Cc1ccc(-c2noc([C@H]3CCCN3c3ncnc4sccc43)n2)cc1[N+](=O)[O-] ZINC000561871809 944830020 /nfs/dbraw/zinc/83/00/20/944830020.db2.gz GLINWHXLEGPGEZ-CQSZACIVSA-N 0 0 408.443 4.299 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1OCC(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000561874569 944831287 /nfs/dbraw/zinc/83/12/87/944831287.db2.gz REKSZJABBVLUBN-UHFFFAOYSA-N 0 0 422.775 4.330 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2c2nc(C3Cc4ccccc4C3)no2)ccc1[N+](=O)[O-] ZINC000561888715 944839658 /nfs/dbraw/zinc/83/96/58/944839658.db2.gz KYIDLJNYCMIJGY-HXUWFJFHSA-N 0 0 418.453 4.146 20 5 HIBDRN CC[C@@](C)(OC)c1noc(-c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 ZINC000562116792 944949883 /nfs/dbraw/zinc/94/98/83/944949883.db2.gz FKUCVYQIGLXAKM-MRXNPFEDSA-N 0 0 412.233 4.409 20 5 HIBDRN Cc1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000562153283 944981494 /nfs/dbraw/zinc/98/14/94/944981494.db2.gz IYUKTTAUNUULJB-GOSISDBHSA-N 0 0 413.474 4.167 20 5 HIBDRN Cc1ccc(-c2noc([C@H]3CCc4nc(C)nc(C(F)(F)F)c4C3)n2)cc1[N+](=O)[O-] ZINC000562195634 945014949 /nfs/dbraw/zinc/01/49/49/945014949.db2.gz CQTYYQJKDYLNHR-LBPRGKRZSA-N 0 0 419.363 4.343 20 5 HIBDRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cn2)sc1Cc1cccc(Cl)c1F ZINC000562329911 945061180 /nfs/dbraw/zinc/06/11/80/945061180.db2.gz JOAGKIVVYOWORC-UHFFFAOYSA-N 0 0 406.826 4.390 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc(F)c(Cl)cc1F ZINC000564084887 945374379 /nfs/dbraw/zinc/37/43/79/945374379.db2.gz AFPGZGNYCGOWPJ-UHFFFAOYSA-N 0 0 408.792 4.050 20 5 HIBDRN Cc1ccccc1[C@@H](NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)(C)C ZINC000564117730 945385641 /nfs/dbraw/zinc/38/56/41/945385641.db2.gz LGYAYMZSZHGWAV-OAQYLSRUSA-N 0 0 423.513 4.298 20 5 HIBDRN CNc1ccc(C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cc1[N+](=O)[O-] ZINC000564155585 945404649 /nfs/dbraw/zinc/40/46/49/945404649.db2.gz RFHHPCRNNYYEET-HNNXBMFYSA-N 0 0 409.471 4.209 20 5 HIBDRN CC(C)(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000564355642 945524504 /nfs/dbraw/zinc/52/45/04/945524504.db2.gz JDJPYCUMTPGMAD-UHFFFAOYSA-N 0 0 419.437 4.151 20 5 HIBDRN O=[N+]([O-])c1cc(I)cc(CNCc2c(F)cccc2Cl)c1 ZINC000564408186 945560714 /nfs/dbraw/zinc/56/07/14/945560714.db2.gz ZSRMHBHMBFOBOC-UHFFFAOYSA-N 0 0 420.609 4.282 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000564541177 945663773 /nfs/dbraw/zinc/66/37/73/945663773.db2.gz FQNIAXZZZQIPBW-DENIHFKCSA-N 0 0 414.527 4.239 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCc2ccccc2F)C2CCCC2)s1 ZINC000564551962 945673432 /nfs/dbraw/zinc/67/34/32/945673432.db2.gz HNICMMLIPPVCIY-UHFFFAOYSA-N 0 0 412.508 4.191 20 5 HIBDRN CN(C)c1cccc([C@@H]2CCCN2C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000564637799 945716907 /nfs/dbraw/zinc/71/69/07/945716907.db2.gz YXUSSXXEFFQMJQ-QFIPXVFZSA-N 0 0 421.501 4.231 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccccc1OC(F)(F)F ZINC000564719356 945740669 /nfs/dbraw/zinc/74/06/69/945740669.db2.gz KALXUIYWJSMWAJ-UHFFFAOYSA-N 0 0 422.363 4.017 20 5 HIBDRN CC(=O)c1cc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1F ZINC000565138736 945785166 /nfs/dbraw/zinc/78/51/66/945785166.db2.gz JDHABEXKDSIHSQ-UHFFFAOYSA-N 0 0 400.284 4.130 20 5 HIBDRN 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ZINC000565883324 945901870 /nfs/dbraw/zinc/90/18/70/945901870.db2.gz CPUXFBVKVZVTJP-CQSZACIVSA-N 0 0 414.384 4.209 20 5 HIBDRN C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000565966823 945945442 /nfs/dbraw/zinc/94/54/42/945945442.db2.gz DIFFHNZJHKYUNJ-HSZRJFAPSA-N 0 0 404.470 4.365 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCO[C@H]1c1ccccc1 ZINC000565973543 945951135 /nfs/dbraw/zinc/95/11/35/945951135.db2.gz QKYXZMRGDYWISQ-KUHUBIRLSA-N 0 0 406.891 4.234 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]3CCCCN3c3ccccc32)cc1[N+](=O)[O-] ZINC000565998391 945968596 /nfs/dbraw/zinc/96/85/96/945968596.db2.gz HREBQYVRDOHXTC-CQSZACIVSA-N 0 0 421.906 4.124 20 5 HIBDRN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000566325167 946000821 /nfs/dbraw/zinc/00/08/21/946000821.db2.gz NYQARXLJLWHHOP-SFHVURJKSA-N 0 0 415.446 4.313 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)c1 ZINC000566527369 946032422 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ZINC000568337184 946515396 /nfs/dbraw/zinc/51/53/96/946515396.db2.gz WZWAWGXPLWEVGG-SECBINFHSA-N 0 0 418.805 4.337 20 5 HIBDRN CC(C)(C)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)C1 ZINC000568417989 946534286 /nfs/dbraw/zinc/53/42/86/946534286.db2.gz ZVMRQGVXTZXBEE-HKUYNNGSSA-N 0 0 413.522 4.295 20 5 HIBDRN Cc1c(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cccc1[N+](=O)[O-] ZINC000568428039 946539117 /nfs/dbraw/zinc/53/91/17/946539117.db2.gz BZBJDUZDUPKCAX-GFCCVEGCSA-N 0 0 411.384 4.067 20 5 HIBDRN CC[C@](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])(C(=O)OC)c1ccc(Cl)cc1 ZINC000568439306 946547295 /nfs/dbraw/zinc/54/72/95/946547295.db2.gz GEDRSYLPKCDSER-LJQANCHMSA-N 0 0 422.890 4.178 20 5 HIBDRN CSc1cccc(C(=O)Nc2c(C)cccc2-c2nnnn2[C@@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000568558389 946594370 /nfs/dbraw/zinc/59/43/70/946594370.db2.gz RVOAOWGQVIFJMO-IUODEOHRSA-N 0 0 424.486 4.112 20 5 HIBDRN Cc1cnn([C@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2)c1 ZINC000568613814 946626313 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421.240 4.269 20 5 HIBDRN CCOC(=O)c1ccnc(N[C@H](Cc2ccc(C)cc2)c2ccccn2)c1[N+](=O)[O-] ZINC000568814412 946712289 /nfs/dbraw/zinc/71/22/89/946712289.db2.gz HHAWIKOCNQXPPN-LJQANCHMSA-N 0 0 406.442 4.266 20 5 HIBDRN O=C(Nc1cccc(N2CCCCC2=O)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000568851872 946724213 /nfs/dbraw/zinc/72/42/13/946724213.db2.gz FJUKERMKDDOSKT-UHFFFAOYSA-N 0 0 407.348 4.383 20 5 HIBDRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000568912151 946747681 /nfs/dbraw/zinc/74/76/81/946747681.db2.gz STIPTOUZSOZQOO-UHFFFAOYSA-N 0 0 400.385 4.499 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](CSc2ccccc2)C1 ZINC000569298910 946855518 /nfs/dbraw/zinc/85/55/18/946855518.db2.gz JABKHYCYYGNXKO-INIZCTEOSA-N 0 0 424.526 4.442 20 5 HIBDRN Cc1ccccc1[C@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)(C)C ZINC000569640995 946914198 /nfs/dbraw/zinc/91/41/98/946914198.db2.gz RIDPVOFKAIYMKB-NRFANRHFSA-N 0 0 423.513 4.298 20 5 HIBDRN 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C[C@H](SCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc2ccccc2[nH]1 ZINC000570347180 947209692 /nfs/dbraw/zinc/20/96/92/947209692.db2.gz NQARXGHPVFIPQU-ZDUSSCGKSA-N 0 0 423.498 4.106 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CN(Cc3ccccc3)CCO2)no1 ZINC000570363931 947220071 /nfs/dbraw/zinc/22/00/71/947220071.db2.gz ORRYBBSRWJFADS-TZIWHRDSSA-N 0 0 422.485 4.288 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CN(Cc3ccccc3)CCO2)no1 ZINC000570363929 947220801 /nfs/dbraw/zinc/22/08/01/947220801.db2.gz ORRYBBSRWJFADS-FPOVZHCZSA-N 0 0 422.485 4.288 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000570433341 947243553 /nfs/dbraw/zinc/24/35/53/947243553.db2.gz ZVIKUDQKZFGVFC-UHFFFAOYSA-N 0 0 420.425 4.025 20 5 HIBDRN O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000570454684 947250893 /nfs/dbraw/zinc/25/08/93/947250893.db2.gz OIAKGIKPFVKOGD-UHFFFAOYSA-N 0 0 411.727 4.304 20 5 HIBDRN O=c1ccccn1C[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000570532144 947276133 /nfs/dbraw/zinc/27/61/33/947276133.db2.gz UQRYOQQTGXCJEO-IBGZPJMESA-N 0 0 417.387 4.306 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000570734207 947339098 /nfs/dbraw/zinc/33/90/98/947339098.db2.gz CFXJJFXXGILOBU-UHFFFAOYSA-N 0 0 401.810 4.059 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000570778308 947354340 /nfs/dbraw/zinc/35/43/40/947354340.db2.gz SPIURRJXYWQTCG-ZLFYYGENSA-N 0 0 410.470 4.093 20 5 HIBDRN Cc1sc(S(=O)(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000570846154 947366920 /nfs/dbraw/zinc/36/69/20/947366920.db2.gz CMHMHGKMKJOYHL-LBPRGKRZSA-N 0 0 419.484 4.192 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)N[C@@H](C)c2ccccc2)no1 ZINC000570886231 947384174 /nfs/dbraw/zinc/38/41/74/947384174.db2.gz PDDGLILABZCIEJ-RDJZCZTQSA-N 0 0 408.458 4.134 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(c2cccc(F)c2F)CC1 ZINC000570896818 947389742 /nfs/dbraw/zinc/38/97/42/947389742.db2.gz CSWDADGNKMUOCB-UHFFFAOYSA-N 0 0 412.396 4.079 20 5 HIBDRN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(OCc2ccccc2)c1 ZINC000571145358 947528178 /nfs/dbraw/zinc/52/81/78/947528178.db2.gz GBKLMNBILCNKJF-HNNXBMFYSA-N 0 0 420.421 4.394 20 5 HIBDRN COc1cccc(-c2nc(Cc3ccc(F)c(Br)c3)no2)c1[N+](=O)[O-] ZINC000571562720 947703107 /nfs/dbraw/zinc/70/31/07/947703107.db2.gz DAUAKYWQKYFYOR-UHFFFAOYSA-N 0 0 408.183 4.146 20 5 HIBDRN COc1ccc2c(c1)C1(CC1)CN(c1ncc([N+](=O)[O-])c(C)c1Br)C2 ZINC000571577428 947709836 /nfs/dbraw/zinc/70/98/36/947709836.db2.gz SFDAJEFCMLXDRA-UHFFFAOYSA-N 0 0 404.264 4.121 20 5 HIBDRN C[C@H](Oc1cccc2ccccc21)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571679059 947744569 /nfs/dbraw/zinc/74/45/69/947744569.db2.gz HZGFFTJJYPNTMP-HNNXBMFYSA-N 0 0 403.438 4.356 20 5 HIBDRN CC(C)(NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)c(F)c1 ZINC000571819987 947794177 /nfs/dbraw/zinc/79/41/77/947794177.db2.gz JGQGJTDYYXXGSW-UHFFFAOYSA-N 0 0 402.401 4.131 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cc(C2CC2)ccn1 ZINC000571848932 947805113 /nfs/dbraw/zinc/80/51/13/947805113.db2.gz WPHMTKILMMTDNB-UHFFFAOYSA-N 0 0 423.210 4.033 20 5 HIBDRN CCO[C@H](C)c1nc(CN(C)C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cs1 ZINC000571925699 947813557 /nfs/dbraw/zinc/81/35/57/947813557.db2.gz VGBOHFSCYBRZGV-SNVBAGLBSA-N 0 0 417.409 4.440 20 5 HIBDRN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000571945750 947818929 /nfs/dbraw/zinc/81/89/29/947818929.db2.gz CTERYNHSUBNAOF-KRWDZBQOSA-N 0 0 411.911 4.441 20 5 HIBDRN CC(C)(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1c(F)cccc1Cl ZINC000571956699 947821439 /nfs/dbraw/zinc/82/14/39/947821439.db2.gz MBPHIQMLBKJKEQ-UHFFFAOYSA-N 0 0 400.784 4.302 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000572022246 947829355 /nfs/dbraw/zinc/82/93/55/947829355.db2.gz RSPKNQUWRSKSBP-UHFFFAOYSA-N 0 0 411.289 4.203 20 5 HIBDRN O=C(N[C@@H](c1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc32)n1)C1CC1)c1ccccc1 ZINC000572165956 947853724 /nfs/dbraw/zinc/85/37/24/947853724.db2.gz WBVNRNRBUVOIGL-GOSISDBHSA-N 0 0 403.398 4.007 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000572210239 947865978 /nfs/dbraw/zinc/86/59/78/947865978.db2.gz BMWBNHZXJASBFY-UHFFFAOYSA-N 0 0 422.268 4.426 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1cccc2ccccc21 ZINC000572625361 947960197 /nfs/dbraw/zinc/96/01/97/947960197.db2.gz ANJRZCJVKLNHGB-LHSJRXKWSA-N 0 0 424.428 4.411 20 5 HIBDRN C[C@@]1(c2ccccc2)CCCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000572627734 947960570 /nfs/dbraw/zinc/96/05/70/947960570.db2.gz HORQECUQCIPMJX-XMMPIXPASA-N 0 0 423.513 4.015 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000573077545 948075851 /nfs/dbraw/zinc/07/58/51/948075851.db2.gz QMJNTALTUCSQTO-CABCVRRESA-N 0 0 417.347 4.141 20 5 HIBDRN Cc1cc(Br)ccc1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573162625 948097003 /nfs/dbraw/zinc/09/70/03/948097003.db2.gz KAORXZIUHXKMAY-UHFFFAOYSA-N 0 0 416.275 4.048 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(COCC2CC2)c1 ZINC000573360464 948167920 /nfs/dbraw/zinc/16/79/20/948167920.db2.gz MUVDPVGVWQFYEF-UHFFFAOYSA-N 0 0 408.458 4.367 20 5 HIBDRN C[C@H](CNC(=O)c1ccccc1)c1noc(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000573467570 948209407 /nfs/dbraw/zinc/20/94/07/948209407.db2.gz JGZOFONEQFIKFF-LLVKDONJSA-N 0 0 420.347 4.197 20 5 HIBDRN Cc1cc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(F)cc1Br ZINC000573491724 948217763 /nfs/dbraw/zinc/21/77/63/948217763.db2.gz DSOABRQHKFGRHG-UHFFFAOYSA-N 0 0 424.226 4.231 20 5 HIBDRN CC(C)n1ncc2cc(NC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cnc21 ZINC000573512754 948224061 /nfs/dbraw/zinc/22/40/61/948224061.db2.gz FTJOZHLCDSXMHY-UHFFFAOYSA-N 0 0 422.367 4.261 20 5 HIBDRN CCOc1cc(C(=O)N(C)[C@H](CC)c2ccccc2OC)c([N+](=O)[O-])cc1OC ZINC000573842137 948308641 /nfs/dbraw/zinc/30/86/41/948308641.db2.gz VOGHACITHCSOHM-MRXNPFEDSA-N 0 0 402.447 4.234 20 5 HIBDRN COc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc([N+](=O)[O-])c1C ZINC000573864243 948313525 /nfs/dbraw/zinc/31/35/25/948313525.db2.gz MTEVEZAMVAMPAL-GOSISDBHSA-N 0 0 408.458 4.166 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccccc1O[C@H](C)C(F)(F)F ZINC000573999176 948344404 /nfs/dbraw/zinc/34/44/04/948344404.db2.gz UUYJSHYWVKIOPN-LLVKDONJSA-N 0 0 413.352 4.255 20 5 HIBDRN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000573999612 948345233 /nfs/dbraw/zinc/34/52/33/948345233.db2.gz DVBQGGMTQRZOSI-FQEVSTJZSA-N 0 0 408.458 4.227 20 5 HIBDRN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000574004541 948347498 /nfs/dbraw/zinc/34/74/98/948347498.db2.gz LMJUAQUMEHEXRH-LBPRGKRZSA-N 0 0 400.822 4.254 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000574056268 948353306 /nfs/dbraw/zinc/35/33/06/948353306.db2.gz RDYWKNOCJVGOKQ-CYBMUJFWSA-N 0 0 421.247 4.086 20 5 HIBDRN CCn1c(C)nc([N+](=O)[O-])c1NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000574072084 948357402 /nfs/dbraw/zinc/35/74/02/948357402.db2.gz PRBJAVBKFIAROM-UHFFFAOYSA-N 0 0 423.311 4.042 20 5 HIBDRN Cc1c(Br)c(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] ZINC000574119689 948370286 /nfs/dbraw/zinc/37/02/86/948370286.db2.gz CYAOZDCHIIJEBL-ZDUSSCGKSA-N 0 0 422.254 4.299 20 5 HIBDRN Cc1cccc(CN(C)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000574125097 948372728 /nfs/dbraw/zinc/37/27/28/948372728.db2.gz HRSMCKDBPYOVAZ-MRXNPFEDSA-N 0 0 405.458 4.139 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000574336944 948415720 /nfs/dbraw/zinc/41/57/20/948415720.db2.gz BOSRVBSXFOGKMP-AWEZNQCLSA-N 0 0 404.488 4.050 20 5 HIBDRN CCO[C@H](C)c1nc(CN(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cs1 ZINC000574659905 948498039 /nfs/dbraw/zinc/49/80/39/948498039.db2.gz VHJOVURGAHYVRO-LLVKDONJSA-N 0 0 401.435 4.382 20 5 HIBDRN Cc1cccn(Cc2c(F)cccc2NCc2c(F)cc([N+](=O)[O-])cc2F)c1=O ZINC000574673633 948501283 /nfs/dbraw/zinc/50/12/83/948501283.db2.gz HMSDWYOPYLMWMB-UHFFFAOYSA-N 0 0 403.360 4.143 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000574801119 948531492 /nfs/dbraw/zinc/53/14/92/948531492.db2.gz KKTMKNALAOSGFJ-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN COc1cc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OCc1ccccc1 ZINC000574835951 948539653 /nfs/dbraw/zinc/53/96/53/948539653.db2.gz UUBXGXXFJHEHLF-UHFFFAOYSA-N 0 0 418.453 4.349 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(OCC(F)(F)F)c1 ZINC000575090122 948589328 /nfs/dbraw/zinc/58/93/28/948589328.db2.gz MNXZNYFIEBDSOW-UHFFFAOYSA-N 0 0 422.363 4.381 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000575105736 948595744 /nfs/dbraw/zinc/59/57/44/948595744.db2.gz RWDJBITWOGEDJO-IBGZPJMESA-N 0 0 402.406 4.158 20 5 HIBDRN CC(C)(c1nc(-c2ccc(OCC(F)F)cn2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000575217622 948634033 /nfs/dbraw/zinc/63/40/33/948634033.db2.gz VBGFZBFICVCMKE-UHFFFAOYSA-N 0 0 408.336 4.149 20 5 HIBDRN CCOC(=O)C(C)(C)c1csc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n1 ZINC000575478105 948672498 /nfs/dbraw/zinc/67/24/98/948672498.db2.gz ZUSFBJWXKVXSLZ-UHFFFAOYSA-N 0 0 405.476 4.070 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000576034495 948814609 /nfs/dbraw/zinc/81/46/09/948814609.db2.gz JDPIDZBEVLLNPA-OAHLLOKOSA-N 0 0 422.268 4.206 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@H]4[C@H](CC4(F)F)C3)c(Cl)nn2)cc1 ZINC001164410582 718872000 /nfs/dbraw/zinc/87/20/00/718872000.db2.gz DKLHPSHRDLIFEO-MFKMUULPSA-N 0 0 416.762 4.342 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@H]3C2)cnc1Cl ZINC001164899262 721495815 /nfs/dbraw/zinc/49/58/15/721495815.db2.gz JNYUROSKZQKXRL-DUVNUKRYSA-N 0 0 401.841 4.220 20 5 HIBDRN Cc1ccc(OCCN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 ZINC000435932599 861191770 /nfs/dbraw/zinc/19/17/70/861191770.db2.gz CHLQWNGNXNLSQC-UHFFFAOYSA-N 0 0 422.431 4.419 20 5 HIBDRN O=[N+]([O-])c1ccc(Cc2noc(/C=C\c3cccc(O)c3)n2)c(Br)c1 ZINC000435945736 861210810 /nfs/dbraw/zinc/21/08/10/861210810.db2.gz GXPCEMGYERWGKI-DAXSKMNVSA-N 0 0 402.204 4.207 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000435964035 861225156 /nfs/dbraw/zinc/22/51/56/861225156.db2.gz VUNIPSNVLZIHOM-XHDPSFHLSA-N 0 0 400.232 4.125 20 5 HIBDRN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc2cc(Cl)ccc2s1 ZINC000435982359 861252384 /nfs/dbraw/zinc/25/23/84/861252384.db2.gz ILIRKYHFBBXHQZ-UHFFFAOYSA-N 0 0 400.847 4.476 20 5 HIBDRN Cc1c(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cccc1[N+](=O)[O-] ZINC000435997333 861281210 /nfs/dbraw/zinc/28/12/10/861281210.db2.gz WHRQZHYFUDGIJG-JOCQHMNTSA-N 0 0 407.239 4.481 20 5 HIBDRN COc1ccc(CSCC(=O)Nc2n[nH]c3c2cccc3Cl)cc1[N+](=O)[O-] ZINC000435995945 861279088 /nfs/dbraw/zinc/27/90/88/861279088.db2.gz OIJAPYSFXUVLPD-UHFFFAOYSA-N 0 0 406.851 4.005 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c(C)cc(Br)cc1Cl ZINC000436004706 861292143 /nfs/dbraw/zinc/29/21/43/861292143.db2.gz DXXCVLSOGRWMOW-UHFFFAOYSA-N 0 0 419.684 4.428 20 5 HIBDRN O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000436013134 861304342 /nfs/dbraw/zinc/30/43/42/861304342.db2.gz XHAFHNLMDPHLFI-XYPYZODXSA-N 0 0 411.202 4.312 20 5 HIBDRN COc1cc(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000436013661 861305329 /nfs/dbraw/zinc/30/53/29/861305329.db2.gz ZDUDYPFPOVSCJM-JOCQHMNTSA-N 0 0 423.238 4.181 20 5 HIBDRN COc1cccc(C(=O)NCC(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-] ZINC000436019376 861312296 /nfs/dbraw/zinc/31/22/96/861312296.db2.gz HMZHZAAJBCDOEY-UHFFFAOYSA-N 0 0 404.466 4.435 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)c1[N+](=O)[O-] ZINC000436019857 861311789 /nfs/dbraw/zinc/31/17/89/861311789.db2.gz XISUDVKZUSIUBR-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000436032919 861325524 /nfs/dbraw/zinc/32/55/24/861325524.db2.gz JQHZPCYHOWORBA-UHFFFAOYSA-N 0 0 424.457 4.142 20 5 HIBDRN COC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000436054779 861340586 /nfs/dbraw/zinc/34/05/86/861340586.db2.gz VKEXFQLCARFDTL-UHFFFAOYSA-N 0 0 406.394 4.309 20 5 HIBDRN O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436060239 861343387 /nfs/dbraw/zinc/34/33/87/861343387.db2.gz DQDWBSQNGMOOMR-UHFFFAOYSA-N 0 0 416.387 4.398 20 5 HIBDRN O=C(Nc1ccc(-n2cccn2)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436080568 861361316 /nfs/dbraw/zinc/36/13/16/861361316.db2.gz FFJUNJZRCRLTGE-UHFFFAOYSA-N 0 0 416.387 4.398 20 5 HIBDRN O=C(Nc1ccc(N2CCCC2)cn1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436087339 861366719 /nfs/dbraw/zinc/36/67/19/861366719.db2.gz DDFIEYUJJBFVST-UHFFFAOYSA-N 0 0 402.429 4.068 20 5 HIBDRN CCN(Cc1ccc(OC)cc1OC)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436109782 861395260 /nfs/dbraw/zinc/39/52/60/861395260.db2.gz QYZZRSVJSKAARZ-UHFFFAOYSA-N 0 0 416.477 4.361 20 5 HIBDRN CCCc1nnc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)s1 ZINC000436146542 861444103 /nfs/dbraw/zinc/44/41/03/861444103.db2.gz AUVJLWYLIOAZHI-UHFFFAOYSA-N 0 0 400.410 4.016 20 5 HIBDRN COc1cc(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)ccc1C ZINC000436146220 861444228 /nfs/dbraw/zinc/44/42/28/861444228.db2.gz XXUDXADWTHSDFT-UHFFFAOYSA-N 0 0 408.404 4.207 20 5 HIBDRN CCSc1nnc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)s1 ZINC000436160348 861461935 /nfs/dbraw/zinc/46/19/35/861461935.db2.gz YEAOKRYZEQDURA-UHFFFAOYSA-N 0 0 418.450 4.175 20 5 HIBDRN CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000436185289 861485873 /nfs/dbraw/zinc/48/58/73/861485873.db2.gz ZFJBVZSAGHNUFG-UHFFFAOYSA-N 0 0 416.430 4.138 20 5 HIBDRN Cc1cc(OCC(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000001284664 845004341 /nfs/dbraw/zinc/00/43/41/845004341.db2.gz 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COc1ccccc1N1C(=O)c2ccccc2/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000017700856 846264730 /nfs/dbraw/zinc/26/47/30/846264730.db2.gz CBCWBPKTGRYCDV-RGEXLXHISA-N 0 0 400.390 4.331 20 5 HIBDRN O=C(COC(=O)c1cc(F)c(Cl)cc1Cl)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000017750907 846268182 /nfs/dbraw/zinc/26/81/82/846268182.db2.gz VFCJOFSQPBTAIE-UHFFFAOYSA-N 0 0 421.595 4.490 20 5 HIBDRN Cc1nc(-c2cccs2)sc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000017831174 846271183 /nfs/dbraw/zinc/27/11/83/846271183.db2.gz RMFBXBGQWAKXQI-LLVKDONJSA-N 0 0 417.468 4.272 20 5 HIBDRN COc1ccc2cc(/C=C/C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2c1 ZINC000018019264 846285564 /nfs/dbraw/zinc/28/55/64/846285564.db2.gz HKFPHIHLGYPSRC-YCRREMRBSA-N 0 0 424.384 4.091 20 5 HIBDRN CC(C)c1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c2ccccc2n1 ZINC000018023876 846286925 /nfs/dbraw/zinc/28/69/25/846286925.db2.gz YOAZMCGQNPXIMG-UHFFFAOYSA-N 0 0 411.389 4.201 20 5 HIBDRN Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000018078303 846292218 /nfs/dbraw/zinc/29/22/18/846292218.db2.gz GTVUOWKZRLYAEH-UHFFFAOYSA-N 0 0 414.512 4.051 20 5 HIBDRN COc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2C)ccc1OCc1ccccc1 ZINC000018160990 846304028 /nfs/dbraw/zinc/30/40/28/846304028.db2.gz KELQUIPDNBMSKI-UHFFFAOYSA-N 0 0 406.438 4.421 20 5 HIBDRN COc1ccc(Br)cc1COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000018172333 846305782 /nfs/dbraw/zinc/30/57/82/846305782.db2.gz DTSXZSNTHYBTST-UHFFFAOYSA-N 0 0 400.612 4.376 20 5 HIBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)cc1F ZINC000018174095 846306713 /nfs/dbraw/zinc/30/67/13/846306713.db2.gz YHWAHSAVRLKSGH-UHFFFAOYSA-N 0 0 404.295 4.125 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000018264096 846317960 /nfs/dbraw/zinc/31/79/60/846317960.db2.gz TWAVYEYWYPCEKZ-UHFFFAOYSA-N 0 0 414.414 4.053 20 5 HIBDRN CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000018584081 846333325 /nfs/dbraw/zinc/33/33/25/846333325.db2.gz LKFJRZKADQMDNW-CQSZACIVSA-N 0 0 400.431 4.301 20 5 HIBDRN C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)NCc1ccc(F)cc1 ZINC000018591169 846333788 /nfs/dbraw/zinc/33/37/88/846333788.db2.gz YTEFDZVBWSESTK-CQSZACIVSA-N 0 0 421.497 4.023 20 5 HIBDRN CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000018584079 846333887 /nfs/dbraw/zinc/33/38/87/846333887.db2.gz LKFJRZKADQMDNW-AWEZNQCLSA-N 0 0 400.431 4.301 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O ZINC000018960025 846349362 /nfs/dbraw/zinc/34/93/62/846349362.db2.gz PXTWVYHFIJMWHS-UHFFFAOYSA-N 0 0 407.451 4.399 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cccc(Br)c2)cc1OC ZINC000018969456 846350405 /nfs/dbraw/zinc/35/04/05/846350405.db2.gz BACLEOWRQAILAM-UHFFFAOYSA-N 0 0 410.220 4.122 20 5 HIBDRN CCSc1nnc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000019199491 846357837 /nfs/dbraw/zinc/35/78/37/846357837.db2.gz HWQBZDNDSOIHBK-UHFFFAOYSA-N 0 0 421.426 4.018 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000019284825 846360769 /nfs/dbraw/zinc/36/07/69/846360769.db2.gz JZFKKMWUFDUCJB-OAHLLOKOSA-N 0 0 420.421 4.454 20 5 HIBDRN O=C(COC(=O)c1csc(-c2cccs2)n1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000019260989 846361053 /nfs/dbraw/zinc/36/10/53/846361053.db2.gz PYVHSAJWGKOBRX-UHFFFAOYSA-N 0 0 423.859 4.229 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000019284847 846361317 /nfs/dbraw/zinc/36/13/17/846361317.db2.gz YXEMOZUCTKEPKN-CYBMUJFWSA-N 0 0 400.431 4.085 20 5 HIBDRN O=C(Cc1csc(N2CCCC2=O)n1)OCc1nc2ccccc2c2ccccc12 ZINC000019356312 846364179 /nfs/dbraw/zinc/36/41/79/846364179.db2.gz WZWPOKOOHWHJHK-UHFFFAOYSA-N 0 0 417.490 4.257 20 5 HIBDRN C[C@@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000019616554 846369236 /nfs/dbraw/zinc/36/92/36/846369236.db2.gz AUEVXYFLUXMKBB-LLVKDONJSA-N 0 0 415.402 4.041 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1ccc(OC)cc1 ZINC000020021257 846376186 /nfs/dbraw/zinc/37/61/86/846376186.db2.gz UXSYVLAEAWWGBU-OAQYLSRUSA-N 0 0 422.485 4.346 20 5 HIBDRN O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000020676297 846387756 /nfs/dbraw/zinc/38/77/56/846387756.db2.gz PTGUOFCAZMPOBG-UHFFFAOYSA-N 0 0 419.365 4.020 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021004269 846399996 /nfs/dbraw/zinc/39/99/96/846399996.db2.gz SPKJEWGXWLTUKA-UHFFFAOYSA-N 0 0 407.495 4.204 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000021458082 846447174 /nfs/dbraw/zinc/44/71/74/846447174.db2.gz YPFWGFLDGKBUCA-SECBINFHSA-N 0 0 416.739 4.451 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000021487952 846451788 /nfs/dbraw/zinc/45/17/88/846451788.db2.gz GPJWEBDMFJRHOK-UHFFFAOYSA-N 0 0 402.403 4.152 20 5 HIBDRN C[C@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021688631 846482738 /nfs/dbraw/zinc/48/27/38/846482738.db2.gz CGDMLRMFUOUGCA-VIFPVBQESA-N 0 0 421.841 4.292 20 5 HIBDRN C[C@H](OC(=O)CCc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021693920 846483974 /nfs/dbraw/zinc/48/39/74/846483974.db2.gz LEBYKRAWMGEWNV-NSHDSACASA-N 0 0 411.241 4.405 20 5 HIBDRN CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000021740820 846489300 /nfs/dbraw/zinc/48/93/00/846489300.db2.gz ZVJRTVYDAKXIBS-AWEZNQCLSA-N 0 0 416.499 4.382 20 5 HIBDRN COc1ccc(Br)cc1C(=O)CCC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000021742530 846490804 /nfs/dbraw/zinc/49/08/04/846490804.db2.gz LEUKWJKRUIAVNI-UHFFFAOYSA-N 0 0 422.231 4.072 20 5 HIBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000021765339 846493729 /nfs/dbraw/zinc/49/37/29/846493729.db2.gz KGGIJCSPSVCSHM-CQSZACIVSA-N 0 0 421.409 4.153 20 5 HIBDRN O=C(CSc1nc2ccccc2c2nc3ccccc3n21)NC(C1CC1)C1CC1 ZINC000021767774 846493782 /nfs/dbraw/zinc/49/37/82/846493782.db2.gz QGDGWTHFHNREPI-UHFFFAOYSA-N 0 0 402.523 4.433 20 5 HIBDRN CCC[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000021838574 846500793 /nfs/dbraw/zinc/50/07/93/846500793.db2.gz HOSJWFYAJGYDGL-MRXNPFEDSA-N 0 0 411.487 4.146 20 5 HIBDRN CN(C)C(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000021996895 846518286 /nfs/dbraw/zinc/51/82/86/846518286.db2.gz HPBPACGLYOZZJX-UHFFFAOYSA-N 0 0 424.404 4.133 20 5 HIBDRN Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000022184961 846541844 /nfs/dbraw/zinc/54/18/44/846541844.db2.gz HGNKGJMVFMFLGI-CQSZACIVSA-N 0 0 409.398 4.051 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)CSCc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000022206153 846545118 /nfs/dbraw/zinc/54/51/18/846545118.db2.gz XWWXRDRHUFGNMK-CYBMUJFWSA-N 0 0 422.890 4.360 20 5 HIBDRN CN(C(=O)COC(=O)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000022443778 846571140 /nfs/dbraw/zinc/57/11/40/846571140.db2.gz RPARYOAVWJUTGQ-QFIPXVFZSA-N 0 0 422.412 4.139 20 5 HIBDRN CCNc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000022486664 846577175 /nfs/dbraw/zinc/57/71/75/846577175.db2.gz RABYMPKIFBCRIA-CHWSQXEVSA-N 0 0 419.865 4.103 20 5 HIBDRN CCNc1ccc(C(=O)O[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000022486688 846577505 /nfs/dbraw/zinc/57/75/05/846577505.db2.gz JEOJDVMPDOOBJN-MRXNPFEDSA-N 0 0 413.474 4.009 20 5 HIBDRN CC[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000022495227 846579364 /nfs/dbraw/zinc/57/93/64/846579364.db2.gz FKRBMXGSHGUZHY-MRXNPFEDSA-N 0 0 411.241 4.326 20 5 HIBDRN C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1c1cccs1 ZINC000022548146 846584722 /nfs/dbraw/zinc/58/47/22/846584722.db2.gz KZMZRBOYZGSAIX-RISCZKNCSA-N 0 0 408.863 4.219 20 5 HIBDRN CCOc1ccc2[nH]c(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)nc2c1 ZINC000022564122 846588357 /nfs/dbraw/zinc/58/83/57/846588357.db2.gz FZLQISUCSQNHCB-GFCCVEGCSA-N 0 0 400.460 4.298 20 5 HIBDRN C[C@H](NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000022673477 846600766 /nfs/dbraw/zinc/60/07/66/846600766.db2.gz ZODCZCCHPGVLCG-KFRNIWOLSA-N 0 0 423.252 4.335 20 5 HIBDRN CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000022671221 846600926 /nfs/dbraw/zinc/60/09/26/846600926.db2.gz NUGBUHYCHSSODQ-CQSZACIVSA-N 0 0 422.393 4.241 20 5 HIBDRN C[C@H](Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000022738118 846612785 /nfs/dbraw/zinc/61/27/85/846612785.db2.gz KFZDFGOCDSJFJJ-JTQLQIEISA-N 0 0 422.315 4.126 20 5 HIBDRN C[C@@H](Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000022738115 846612796 /nfs/dbraw/zinc/61/27/96/846612796.db2.gz KFZDFGOCDSJFJJ-SNVBAGLBSA-N 0 0 422.315 4.126 20 5 HIBDRN CSc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000022762911 846616871 /nfs/dbraw/zinc/61/68/71/846616871.db2.gz ATECTNLXIIOXFK-LLVKDONJSA-N 0 0 408.863 4.463 20 5 HIBDRN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000022793612 846621632 /nfs/dbraw/zinc/62/16/32/846621632.db2.gz WXUSVOJBNWCGDI-WDEREUQCSA-N 0 0 411.241 4.324 20 5 HIBDRN C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 ZINC000022941137 846639951 /nfs/dbraw/zinc/63/99/51/846639951.db2.gz WVMCVJABQNZZNB-QGZVFWFLSA-N 0 0 418.449 4.299 20 5 HIBDRN CN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC000023152376 846665032 /nfs/dbraw/zinc/66/50/32/846665032.db2.gz QXZKDJUEGBLOAO-QGZVFWFLSA-N 0 0 423.498 4.024 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)COC(=O)c3cccc([N+](=O)[O-])c3C)c2)cs1 ZINC000023221582 846672314 /nfs/dbraw/zinc/67/23/14/846672314.db2.gz DJDDWFNJRCKYNJ-UHFFFAOYSA-N 0 0 411.439 4.131 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Sc2nnc3sc4ccccc4n23)cccc1[N+](=O)[O-] ZINC000023407201 846695396 /nfs/dbraw/zinc/69/53/96/846695396.db2.gz RWNZJWLWURZXDG-LLVKDONJSA-N 0 0 413.484 4.280 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N(C)CC(=O)NC(C)(C)C)cc2[N+](=O)[O-])cc1 ZINC000023416418 846698571 /nfs/dbraw/zinc/69/85/71/846698571.db2.gz IYGXULQKLLFKCU-UHFFFAOYSA-N 0 0 415.515 4.041 20 5 HIBDRN COc1ccc(CN(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000023602900 846727243 /nfs/dbraw/zinc/72/72/43/846727243.db2.gz BIAHODLEPVGGJY-UHFFFAOYSA-N 0 0 405.454 4.488 20 5 HIBDRN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023918582 846758541 /nfs/dbraw/zinc/75/85/41/846758541.db2.gz PKPXDBNEBMPTHJ-YCABEKBOSA-N 0 0 422.510 4.123 20 5 HIBDRN COc1ccccc1CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000023992780 846769532 /nfs/dbraw/zinc/76/95/32/846769532.db2.gz FIYOVHPCDAMAOX-UHFFFAOYSA-N 0 0 411.483 4.306 20 5 HIBDRN O=C(c1ccccc1)c1ccc(NC2CCN(C(=O)c3ccoc3)CC2)c([N+](=O)[O-])c1 ZINC000024206797 846802087 /nfs/dbraw/zinc/80/20/87/846802087.db2.gz PBYFSNFYXKNVEK-UHFFFAOYSA-N 0 0 419.437 4.136 20 5 HIBDRN C[C@@H](NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000024212024 846803032 /nfs/dbraw/zinc/80/30/32/846803032.db2.gz LYLHQASJRWPSLL-CYBMUJFWSA-N 0 0 412.829 4.436 20 5 HIBDRN O=C(CSc1nccn1-c1ccc(Cl)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000024319801 846812783 /nfs/dbraw/zinc/81/27/83/846812783.db2.gz GEAIWRABJZVCDN-UHFFFAOYSA-N 0 0 414.874 4.115 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024692665 846853921 /nfs/dbraw/zinc/85/39/21/846853921.db2.gz NUKHNMDLVAPMGV-KRWDZBQOSA-N 0 0 420.469 4.356 20 5 HIBDRN CN(Cc1ccccc1Br)C(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000024780380 846866129 /nfs/dbraw/zinc/86/61/29/846866129.db2.gz WFVJKHRNZXLIII-UHFFFAOYSA-N 0 0 413.655 4.048 20 5 HIBDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000024922993 846891246 /nfs/dbraw/zinc/89/12/46/846891246.db2.gz WFHMUFDMXKFGDN-UHFFFAOYSA-N 0 0 417.878 4.177 20 5 HIBDRN Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC000025097899 846924806 /nfs/dbraw/zinc/92/48/06/846924806.db2.gz QQTUGBOKHLAGJI-LBPRGKRZSA-N 0 0 417.878 4.257 20 5 HIBDRN CCn1c(=O)c2cc(Br)ccc2nc1SCc1ccccc1[N+](=O)[O-] ZINC000025118688 846929658 /nfs/dbraw/zinc/92/96/58/846929658.db2.gz WPEMXFTZSMHMCG-UHFFFAOYSA-N 0 0 420.288 4.379 20 5 HIBDRN Cc1ccc(C(=O)N2CCC(Nc3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)cc1 ZINC000436391821 861735101 /nfs/dbraw/zinc/73/51/01/861735101.db2.gz RAVPRDPXUDPPGP-UHFFFAOYSA-N 0 0 408.380 4.034 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCc1nc2ccccc2n1C(F)F ZINC000436392140 861735698 /nfs/dbraw/zinc/73/56/98/861735698.db2.gz RUHHAMDJEJYWBW-UHFFFAOYSA-N 0 0 401.295 4.408 20 5 HIBDRN O=C(CCOc1ccccc1-c1ccccc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000025211172 846941370 /nfs/dbraw/zinc/94/13/70/846941370.db2.gz YOLRQFSVVDUJOO-UHFFFAOYSA-N 0 0 405.454 4.259 20 5 HIBDRN Cc1ccc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000436393028 861736981 /nfs/dbraw/zinc/73/69/81/861736981.db2.gz UNPFSHIGNVZCDQ-AWEZNQCLSA-N 0 0 411.380 4.487 20 5 HIBDRN COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000025309240 846957736 /nfs/dbraw/zinc/95/77/36/846957736.db2.gz NKJPDZQGHFGYLF-NRFANRHFSA-N 0 0 423.425 4.076 20 5 HIBDRN Cc1ccc(-n2ccnc2SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1C ZINC000025365775 846968155 /nfs/dbraw/zinc/96/81/55/846968155.db2.gz PBHDGEYUUKHXQF-UHFFFAOYSA-N 0 0 408.483 4.079 20 5 HIBDRN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)CC3 ZINC000025542881 846997495 /nfs/dbraw/zinc/99/74/95/846997495.db2.gz QCISCEYCILAQBD-UHFFFAOYSA-N 0 0 418.497 4.186 20 5 HIBDRN CN(c1ccc(Oc2ccccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000025615148 847007502 /nfs/dbraw/zinc/00/75/02/847007502.db2.gz WYVKWBXNDZBFBQ-UHFFFAOYSA-N 0 0 402.403 4.351 20 5 HIBDRN C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025771270 847034661 /nfs/dbraw/zinc/03/46/61/847034661.db2.gz GEJBQYRSCUKAGW-HNNXBMFYSA-N 0 0 424.453 4.007 20 5 HIBDRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000025858678 847046837 /nfs/dbraw/zinc/04/68/37/847046837.db2.gz NYZHWKNIPBVKHJ-UHFFFAOYSA-N 0 0 405.458 4.449 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)Nc2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000025880646 847051820 /nfs/dbraw/zinc/05/18/20/847051820.db2.gz ROKSNJDJMCDJAD-UHFFFAOYSA-N 0 0 402.476 4.476 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000026120986 847090163 /nfs/dbraw/zinc/09/01/63/847090163.db2.gz FSKHKYQQSLEGRF-UHFFFAOYSA-N 0 0 411.458 4.079 20 5 HIBDRN CCn1c(SCC(=O)c2ccc3c(c2)CCO3)nc2cc3ccccc3cc2c1=O ZINC000026270201 847118280 /nfs/dbraw/zinc/11/82/80/847118280.db2.gz XKSBLIWZJLQZBW-UHFFFAOYSA-N 0 0 416.502 4.480 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000026359786 847133274 /nfs/dbraw/zinc/13/32/74/847133274.db2.gz HVCHSZGXBSSMNT-CQSZACIVSA-N 0 0 407.392 4.133 20 5 HIBDRN Cc1ccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2C=O)c2cccs2)cc1 ZINC000026467842 847154961 /nfs/dbraw/zinc/15/49/61/847154961.db2.gz PMMYVNYMJNYJAD-NRFANRHFSA-N 0 0 410.451 4.062 20 5 HIBDRN O=C(CSc1c(Cl)cccc1Cl)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026562263 847170029 /nfs/dbraw/zinc/17/00/29/847170029.db2.gz QPQMUBFQHYIXDF-UHFFFAOYSA-N 0 0 401.227 4.361 20 5 HIBDRN O=C(COC(=O)c1csc(-c2cccc(Cl)c2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000026681882 847185080 /nfs/dbraw/zinc/18/50/80/847185080.db2.gz RXTJGHSVASVYLR-UHFFFAOYSA-N 0 0 417.830 4.167 20 5 HIBDRN Cc1cc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)on1 ZINC000026684227 847185987 /nfs/dbraw/zinc/18/59/87/847185987.db2.gz RKEIORPUCOHLEO-QGZVFWFLSA-N 0 0 415.789 4.081 20 5 HIBDRN CCOc1ccc(OCC)c(NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])c1 ZINC000026783587 847196580 /nfs/dbraw/zinc/19/65/80/847196580.db2.gz HLOFPJGNCRMKKH-UHFFFAOYSA-N 0 0 404.419 4.052 20 5 HIBDRN Cc1cc(C2=N/C(=C/c3cc(Cl)c4c(c3)OCCCO4)C(=O)O2)ccc1[N+](=O)[O-] ZINC000026804665 847200119 /nfs/dbraw/zinc/20/01/19/847200119.db2.gz PAAAZMTZETZPKR-OQLLNIDSSA-N 0 0 414.801 4.062 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Sc2nnc(NCc3ccco3)s2)cccc1[N+](=O)[O-] ZINC000026823570 847204239 /nfs/dbraw/zinc/20/42/39/847204239.db2.gz YWBKMQCJOPQDNQ-LLVKDONJSA-N 0 0 419.488 4.079 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000026886929 847215812 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COc1ccc(CSCC(=O)NC[C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000027633816 847330189 /nfs/dbraw/zinc/33/01/89/847330189.db2.gz TVIGKOCSFRALGA-SFHVURJKSA-N 0 0 402.516 4.393 20 5 HIBDRN COc1cc(C(=O)N2CCOC(C)(C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000027637061 847330234 /nfs/dbraw/zinc/33/02/34/847330234.db2.gz KRAACHHFINTPTO-UHFFFAOYSA-N 0 0 420.849 4.300 20 5 HIBDRN CCNc1nc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc2ccccc21 ZINC000027914713 847363431 /nfs/dbraw/zinc/36/34/31/847363431.db2.gz DAYREMMAXNARHM-CYBMUJFWSA-N 0 0 411.487 4.398 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000028400580 847415972 /nfs/dbraw/zinc/41/59/72/847415972.db2.gz DVSVPKFYQYDOJF-LLVKDONJSA-N 0 0 408.863 4.463 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1 ZINC000028677995 847446124 /nfs/dbraw/zinc/44/61/24/847446124.db2.gz DTKHXMSMVYUMKM-GFCCVEGCSA-N 0 0 406.533 4.257 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000028786048 847460237 /nfs/dbraw/zinc/46/02/37/847460237.db2.gz IXIVEZWXJKOJDA-UHFFFAOYSA-N 0 0 420.421 4.131 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(-c4c[nH]c5ccccc54)o3)o2)cc1 ZINC000028786503 847460674 /nfs/dbraw/zinc/46/06/74/847460674.db2.gz QKWSUITYPUDGSX-UHFFFAOYSA-N 0 0 420.410 4.468 20 5 HIBDRN C[C@@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000028806889 847463954 /nfs/dbraw/zinc/46/39/54/847463954.db2.gz NEAYLMNRMLAVTO-SNVBAGLBSA-N 0 0 403.851 4.153 20 5 HIBDRN O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000028828717 847465070 /nfs/dbraw/zinc/46/50/70/847465070.db2.gz GABRTZDIRAXUPN-UHFFFAOYSA-N 0 0 414.361 4.116 20 5 HIBDRN CCOc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)sc2c1 ZINC000028838002 847467483 /nfs/dbraw/zinc/46/74/83/847467483.db2.gz FFWWTDJUKQOCFU-UHFFFAOYSA-N 0 0 402.388 4.072 20 5 HIBDRN CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000028843941 847468058 /nfs/dbraw/zinc/46/80/58/847468058.db2.gz 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411.886 4.324 20 5 HIBDRN O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032244435 847994711 /nfs/dbraw/zinc/99/47/11/847994711.db2.gz WQWBAVUQODUQMH-UHFFFAOYSA-N 0 0 415.409 4.007 20 5 HIBDRN C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000032483573 848037786 /nfs/dbraw/zinc/03/77/86/848037786.db2.gz FCYYBLDZALGJLH-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN Cc1c(NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cccc1[N+](=O)[O-] ZINC000032517742 848043087 /nfs/dbraw/zinc/04/30/87/848043087.db2.gz LYUYWSZNLSURBV-SXYIGIQMSA-N 0 0 413.518 4.199 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1csc(Br)c1 ZINC000032581268 848049047 /nfs/dbraw/zinc/04/90/47/848049047.db2.gz OCBWCHLMLBOHTA-SECBINFHSA-N 0 0 401.307 4.216 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000032677446 848062424 /nfs/dbraw/zinc/06/24/24/848062424.db2.gz HJHJXHBUVUJDSL-HNNXBMFYSA-N 0 0 407.426 4.068 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000033096214 848107742 /nfs/dbraw/zinc/10/77/42/848107742.db2.gz CIHWOULXFHJLMG-QGZVFWFLSA-N 0 0 422.268 4.453 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2nc(-c3ccc(O)c4ccccc34)no2)c1N1CCOCC1 ZINC000436605229 861866904 /nfs/dbraw/zinc/86/69/04/861866904.db2.gz BLTWEISIAWGMRG-UHFFFAOYSA-N 0 0 418.409 4.007 20 5 HIBDRN COc1ccc(-c2cc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)sc2C)cc1 ZINC000033180302 848119653 /nfs/dbraw/zinc/11/96/53/848119653.db2.gz ZXJWKPODEVMGLG-UHFFFAOYSA-N 0 0 411.483 4.482 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OCc1cccnc1 ZINC000036833614 848167402 /nfs/dbraw/zinc/16/74/02/848167402.db2.gz ULZJIBSXTQFEKX-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN CC(C)[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000041239348 848208543 /nfs/dbraw/zinc/20/85/43/848208543.db2.gz FHIDAVPTVNHYQS-MRXNPFEDSA-N 0 0 410.257 4.354 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000041851721 848257297 /nfs/dbraw/zinc/25/72/97/848257297.db2.gz UHBRQBMKWRKOHY-KRWDZBQOSA-N 0 0 401.438 4.275 20 5 HIBDRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)cc1[N+](=O)[O-] ZINC000041867465 848259803 /nfs/dbraw/zinc/25/98/03/848259803.db2.gz WPPIVQUXPFPVAK-CQSZACIVSA-N 0 0 402.447 4.280 20 5 HIBDRN CCCCOc1ccc(OC)cc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000041932720 848266892 /nfs/dbraw/zinc/26/68/92/848266892.db2.gz DKMVDPPCLHULSC-UHFFFAOYSA-N 0 0 404.419 4.052 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c(F)c1 ZINC000042097321 848285510 /nfs/dbraw/zinc/28/55/10/848285510.db2.gz QZARWFYYFDJURT-OAHLLOKOSA-N 0 0 418.425 4.462 20 5 HIBDRN O=[N+]([O-])c1ccc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c(F)c1 ZINC000042096473 848285699 /nfs/dbraw/zinc/28/56/99/848285699.db2.gz JOLDBYJWJOIZFT-LBPRGKRZSA-N 0 0 406.464 4.384 20 5 HIBDRN NC(=O)c1ccc(CSc2nnc(-c3ccc4ccccc4c3)o2)c([N+](=O)[O-])c1 ZINC000042180957 848296656 /nfs/dbraw/zinc/29/66/56/848296656.db2.gz 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CCOc1ccc(-c2nc(CC(=O)Nc3cc([N+](=O)[O-])ccc3OC)cs2)cc1 ZINC000043742277 848458199 /nfs/dbraw/zinc/45/81/99/848458199.db2.gz RGWSASBPCREGQE-UHFFFAOYSA-N 0 0 413.455 4.307 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N(C)Cc3ccc(F)c(F)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000044439989 848558717 /nfs/dbraw/zinc/55/87/17/848558717.db2.gz GXOIIMKAXJOHQV-UHFFFAOYSA-N 0 0 414.412 4.007 20 5 HIBDRN COc1cc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OC1CCCC1 ZINC000044588004 848575994 /nfs/dbraw/zinc/57/59/94/848575994.db2.gz NHZCLZXFNSMNJD-UHFFFAOYSA-N 0 0 416.499 4.333 20 5 HIBDRN CCCC(=O)Nc1ccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000044596499 848577064 /nfs/dbraw/zinc/57/70/64/848577064.db2.gz SECQBDWVMZGCGR-AWEZNQCLSA-N 0 0 401.488 4.130 20 5 HIBDRN CCOc1cc(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000045238992 848651636 /nfs/dbraw/zinc/65/16/36/848651636.db2.gz JHAGLLVEEVUZDM-AWEZNQCLSA-N 0 0 402.447 4.280 20 5 HIBDRN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000045671532 848709716 /nfs/dbraw/zinc/70/97/16/848709716.db2.gz GWKDHLDFLRQPNW-UHFFFAOYSA-N 0 0 416.441 4.109 20 5 HIBDRN COc1ccc(CSCC(=O)N(C)[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000045714399 848716262 /nfs/dbraw/zinc/71/62/62/848716262.db2.gz LLWSLIILHKOZPZ-SFHVURJKSA-N 0 0 400.500 4.373 20 5 HIBDRN O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1csc([N+](=O)[O-])c1 ZINC000045819514 848735094 /nfs/dbraw/zinc/73/50/94/848735094.db2.gz KZNLAPONTNZFMA-KRWDZBQOSA-N 0 0 410.430 4.316 20 5 HIBDRN COc1ccc(Oc2cc(CNC(=O)Nc3cccc([N+](=O)[O-])c3C)ccn2)cc1 ZINC000046001320 848769990 /nfs/dbraw/zinc/76/99/90/848769990.db2.gz JTOGDVZRYGOGTP-UHFFFAOYSA-N 0 0 408.414 4.421 20 5 HIBDRN O=C(CCc1nc2ccccc2n1-c1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000046149052 848790521 /nfs/dbraw/zinc/79/05/21/848790521.db2.gz ZMNAIFXEQHQDCQ-UHFFFAOYSA-N 0 0 400.438 4.183 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000046151639 848791525 /nfs/dbraw/zinc/79/15/25/848791525.db2.gz MPHWVQLAFTWUJU-UHFFFAOYSA-N 0 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O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000046534327 848870013 /nfs/dbraw/zinc/87/00/13/848870013.db2.gz QOHSPBFANHNCFJ-UHFFFAOYSA-N 0 0 400.328 4.193 20 5 HIBDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000046612002 848886176 /nfs/dbraw/zinc/88/61/76/848886176.db2.gz FMKDLZLFUJBNTC-UHFFFAOYSA-N 0 0 413.455 4.481 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000046643097 848895877 /nfs/dbraw/zinc/89/58/77/848895877.db2.gz KBOLENOLBJWIET-ZDUSSCGKSA-N 0 0 400.456 4.460 20 5 HIBDRN O=C(c1cc2ccccc2c2cccnc12)N1CCC(c2nnc3ccccn32)CC1 ZINC000046762428 848929630 /nfs/dbraw/zinc/92/96/30/848929630.db2.gz MHEHFBPGJYNHDO-UHFFFAOYSA-N 0 0 407.477 4.451 20 5 HIBDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000046793199 848935016 /nfs/dbraw/zinc/93/50/16/848935016.db2.gz CFXLFSYWHCAEDC-UHFFFAOYSA-N 0 0 422.485 4.107 20 5 HIBDRN COc1cc(CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C2CC2)ccc1OC(F)F ZINC000046817743 848942008 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862315702 /nfs/dbraw/zinc/31/57/02/862315702.db2.gz LNEIFTYPCCVYMC-UHFFFAOYSA-N 0 0 407.426 4.094 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000065124295 852073071 /nfs/dbraw/zinc/07/30/71/852073071.db2.gz OCWQRZUURBFRQR-UHFFFAOYSA-N 0 0 418.478 4.482 20 5 HIBDRN O=C(NCCc1c(Cl)cccc1Cl)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065139538 852075008 /nfs/dbraw/zinc/07/50/08/852075008.db2.gz WYIJKCLTNWAVHU-UHFFFAOYSA-N 0 0 405.241 4.060 20 5 HIBDRN O=C(NCCc1c(Cl)cccc1Cl)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000065139526 852075105 /nfs/dbraw/zinc/07/51/05/852075105.db2.gz AKXNUZZWIGTRDF-UHFFFAOYSA-N 0 0 405.241 4.060 20 5 HIBDRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCCOc1ccccc1C(F)(F)F ZINC000065279432 852099227 /nfs/dbraw/zinc/09/92/27/852099227.db2.gz JRPYVYIPAPCYCV-UHFFFAOYSA-N 0 0 408.332 4.069 20 5 HIBDRN COc1ccc(CC[C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000065413690 852123483 /nfs/dbraw/zinc/12/34/83/852123483.db2.gz WVVPNWFOXPYEPM-LBPRGKRZSA-N 0 0 409.389 4.348 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)NCCc2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000065511900 852162082 /nfs/dbraw/zinc/16/20/82/852162082.db2.gz DKBQIXMGDKZOIL-MRXNPFEDSA-N 0 0 415.490 4.241 20 5 HIBDRN C[C@H](CCc1ccc(Br)cc1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000065511874 852162098 /nfs/dbraw/zinc/16/20/98/852162098.db2.gz MSRUTSRCJCJMGT-CYBMUJFWSA-N 0 0 406.280 4.178 20 5 HIBDRN COc1cc(C(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)ccc1[N+](=O)[O-] ZINC000437137357 862328619 /nfs/dbraw/zinc/32/86/19/862328619.db2.gz XWAJZRHVVSYNSJ-UHFFFAOYSA-N 0 0 407.426 4.338 20 5 HIBDRN O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000065656311 852210141 /nfs/dbraw/zinc/21/01/41/852210141.db2.gz FAOMBLKZYOEWKO-UHFFFAOYSA-N 0 0 406.442 4.135 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nc(C)cs2)cc1 ZINC000065685487 852218039 /nfs/dbraw/zinc/21/80/39/852218039.db2.gz FMYDJVCRMGCPKC-UHFFFAOYSA-N 0 0 404.469 4.357 20 5 HIBDRN O=C(CSc1ncccc1[N+](=O)[O-])Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000065693125 852221077 /nfs/dbraw/zinc/22/10/77/852221077.db2.gz KHVLJMQGEMAZGH-UHFFFAOYSA-N 0 0 408.411 4.122 20 5 HIBDRN Cc1c(CSc2nnc(-c3ccncc3)n2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000065695047 852221453 /nfs/dbraw/zinc/22/14/53/852221453.db2.gz VHLRRQBJFVYRDV-UHFFFAOYSA-N 0 0 409.393 4.411 20 5 HIBDRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065733509 852238975 /nfs/dbraw/zinc/23/89/75/852238975.db2.gz BHEHVYHFKPMDNJ-ZDUSSCGKSA-N 0 0 416.275 4.059 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(OC(F)F)c2ncccc12 ZINC000065743688 852242502 /nfs/dbraw/zinc/24/25/02/852242502.db2.gz IDVJKTMFPHMKBZ-UHFFFAOYSA-N 0 0 412.352 4.338 20 5 HIBDRN CCCCc1ccc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)c2cccs2)cc1 ZINC000065773765 852250986 /nfs/dbraw/zinc/25/09/86/852250986.db2.gz XWWAOPZSNRMHCT-OAQYLSRUSA-N 0 0 412.515 4.491 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000065782067 852253804 /nfs/dbraw/zinc/25/38/04/852253804.db2.gz VPXNDEMEZHWESP-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000065782285 852254266 /nfs/dbraw/zinc/25/42/66/852254266.db2.gz UTOWGCLBVVFZPC-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000065820279 852268821 /nfs/dbraw/zinc/26/88/21/852268821.db2.gz AEVJHCYPTMDPBD-OAQYLSRUSA-N 0 0 423.513 4.019 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c1 ZINC000065839161 852278689 /nfs/dbraw/zinc/27/86/89/852278689.db2.gz VUGNCSFDPDYLBN-UHFFFAOYSA-N 0 0 420.918 4.448 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cccc(COCc2ccco2)c1 ZINC000065844366 852281601 /nfs/dbraw/zinc/28/16/01/852281601.db2.gz KKNNBSJMCDOGMW-UHFFFAOYSA-N 0 0 419.437 4.176 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000065854883 852285989 /nfs/dbraw/zinc/28/59/89/852285989.db2.gz ZTURGNLSOHPQPG-OAHLLOKOSA-N 0 0 420.849 4.457 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000065864936 852289937 /nfs/dbraw/zinc/28/99/37/852289937.db2.gz OVEHQCMKPJZZOP-IBGZPJMESA-N 0 0 424.501 4.276 20 5 HIBDRN COc1cc(OCC(=O)NCc2cccc(Oc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000066022597 852356870 /nfs/dbraw/zinc/35/68/70/852356870.db2.gz NGXXKELXBSAJDH-UHFFFAOYSA-N 0 0 408.410 4.091 20 5 HIBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000066031020 852358567 /nfs/dbraw/zinc/35/85/67/852358567.db2.gz IRNRQXITZDJCTK-UHFFFAOYSA-N 0 0 424.501 4.232 20 5 HIBDRN COc1cc(C(=O)N(Cc2ccco2)Cc2ccc(C)s2)c([N+](=O)[O-])cc1OC ZINC000066029365 852358832 /nfs/dbraw/zinc/35/88/32/852358832.db2.gz SVENCQKHRIGYEM-UHFFFAOYSA-N 0 0 416.455 4.418 20 5 HIBDRN COC(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000069147155 852385887 /nfs/dbraw/zinc/38/58/87/852385887.db2.gz RZEOGVWQYKVNIP-UHFFFAOYSA-N 0 0 404.422 4.224 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(Br)cc1 ZINC000069177672 852386956 /nfs/dbraw/zinc/38/69/56/852386956.db2.gz LKTDLTPEWFWDOQ-ZDUSSCGKSA-N 0 0 418.291 4.449 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H](c1cccs1)N1CCOCC1 ZINC000069447691 852395766 /nfs/dbraw/zinc/39/57/66/852395766.db2.gz IFRSZXIEYFOXBG-OAHLLOKOSA-N 0 0 401.410 4.161 20 5 HIBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000071845207 852416756 /nfs/dbraw/zinc/41/67/56/852416756.db2.gz XSGGXDPLKNIRTK-UHFFFAOYSA-N 0 0 409.352 4.102 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000071854477 852419877 /nfs/dbraw/zinc/41/98/77/852419877.db2.gz QLKCQCCITZGZRO-LJQANCHMSA-N 0 0 404.488 4.218 20 5 HIBDRN Cc1c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000071852810 852420024 /nfs/dbraw/zinc/42/00/24/852420024.db2.gz WGGXPSNAJDLVJI-UHFFFAOYSA-N 0 0 405.336 4.063 20 5 HIBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000071861356 852421102 /nfs/dbraw/zinc/42/11/02/852421102.db2.gz 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O=C(c1cc(N2CCC(Nc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301992204 854511356 /nfs/dbraw/zinc/51/13/56/854511356.db2.gz QLWSLWLIGPRWID-UHFFFAOYSA-N 0 0 412.465 4.051 20 5 HIBDRN Cc1cc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c2cccc([N+](=O)[O-])c2n1 ZINC000301996745 854513031 /nfs/dbraw/zinc/51/30/31/854513031.db2.gz HRTWCIZRNXDTBC-FQEVSTJZSA-N 0 0 406.442 4.181 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCCOc3c(Cl)cccc32)s1 ZINC000302034224 854519721 /nfs/dbraw/zinc/51/97/21/854519721.db2.gz TYCOJHUYDUUVES-LLVKDONJSA-N 0 0 402.881 4.039 20 5 HIBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000302049259 854521979 /nfs/dbraw/zinc/52/19/79/854521979.db2.gz OGKOXVDTKJVMLN-ZETCQYMHSA-N 0 0 422.205 4.301 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc(OCc3ccccc3)cc2)s1 ZINC000302133950 854535070 /nfs/dbraw/zinc/53/50/70/854535070.db2.gz CQGFXVNJHNXKDZ-UHFFFAOYSA-N 0 0 404.469 4.382 20 5 HIBDRN O=[N+]([O-])c1c(N2CCC(Oc3cccc(Br)c3)CC2)nc2sccn21 ZINC000302149011 854537150 /nfs/dbraw/zinc/53/71/50/854537150.db2.gz JIFDVFURQPNZMQ-UHFFFAOYSA-N 0 0 423.292 4.114 20 5 HIBDRN O=C1NCCCN1c1cccc(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c1 ZINC000302185975 854545100 /nfs/dbraw/zinc/54/51/00/854545100.db2.gz UUNLGCZZAGIONX-UHFFFAOYSA-N 0 0 419.441 4.232 20 5 HIBDRN CN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000302214830 854551684 /nfs/dbraw/zinc/55/16/84/854551684.db2.gz ZVQZDQIIRIEGJB-UHFFFAOYSA-N 0 0 400.481 4.266 20 5 HIBDRN CC(C)Oc1ccc2ccccc2c1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000302226740 854553428 /nfs/dbraw/zinc/55/34/28/854553428.db2.gz WIRAQGOLNOGTGR-UHFFFAOYSA-N 0 0 407.426 4.478 20 5 HIBDRN NS(=O)(=O)c1cccc(N[C@H]2CCc3ccc(-c4ccccc4)cc32)c1[N+](=O)[O-] ZINC000302341048 854562291 /nfs/dbraw/zinc/56/22/91/854562291.db2.gz ABNUOWPRBZDAOH-SFHVURJKSA-N 0 0 409.467 4.009 20 5 HIBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000302390810 854567512 /nfs/dbraw/zinc/56/75/12/854567512.db2.gz IEEJFXGMCGTSIH-LJQANCHMSA-N 0 0 409.467 4.009 20 5 HIBDRN CC(=O)c1ccc(N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c([N+](=O)[O-])c1 ZINC000302433806 854571172 /nfs/dbraw/zinc/57/11/72/854571172.db2.gz QFCSUZKAPNCPLE-OAHLLOKOSA-N 0 0 407.348 4.034 20 5 HIBDRN Cc1cccc2nc(C3CCN(c4cc5nc[nH]c(=O)c5cc4[N+](=O)[O-])CC3)oc21 ZINC000302510980 854578095 /nfs/dbraw/zinc/57/80/95/854578095.db2.gz SPOZNEZNWFKLEY-UHFFFAOYSA-N 0 0 405.414 4.077 20 5 HIBDRN Cc1cc(N2CCC[C@@H](c3nncn3C(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302628546 854593551 /nfs/dbraw/zinc/59/35/51/854593551.db2.gz BQYLEQZEOXZDDU-CYBMUJFWSA-N 0 0 408.300 4.222 20 5 HIBDRN CN(Cc1ccc(Br)cc1Cl)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000302700817 854607899 /nfs/dbraw/zinc/60/78/99/854607899.db2.gz HVUZLRZQKZRVFO-UHFFFAOYSA-N 0 0 423.654 4.296 20 5 HIBDRN CC(=O)Nc1cccc2c1CCN(c1cc(C)c([N+](=O)[O-])cc1Br)C2 ZINC000302702713 854608218 /nfs/dbraw/zinc/60/82/18/854608218.db2.gz VJXIPXRTQZJSAT-UHFFFAOYSA-N 0 0 404.264 4.187 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(Cc3ccccn3)C3CC3)cc2[N+](=O)[O-])C1 ZINC000302712678 854611384 /nfs/dbraw/zinc/61/13/84/854611384.db2.gz YFPQJVOGECFDFI-IAGOWNOFSA-N 0 0 408.502 4.277 20 5 HIBDRN COc1ccccc1-c1nc(C2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)no1 ZINC000302732211 854615157 /nfs/dbraw/zinc/61/51/57/854615157.db2.gz UFVVLHNPOHDSRP-UHFFFAOYSA-N 0 0 415.837 4.086 20 5 HIBDRN C[C@H](CN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000302740257 854617420 /nfs/dbraw/zinc/61/74/20/854617420.db2.gz CKUSKZVRCCBBOE-SNVBAGLBSA-N 0 0 423.256 4.454 20 5 HIBDRN O=C(NCCOc1ccc2ccccc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000302796462 854635526 /nfs/dbraw/zinc/63/55/26/854635526.db2.gz CHOFDYHGEJKNNY-UHFFFAOYSA-N 0 0 405.454 4.157 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000302811990 854642869 /nfs/dbraw/zinc/64/28/69/854642869.db2.gz MPXGGBRTLXJNLM-UHFFFAOYSA-N 0 0 407.426 4.476 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000302833959 854648174 /nfs/dbraw/zinc/64/81/74/854648174.db2.gz SVHXNVFAOGHLCN-UHFFFAOYSA-N 0 0 407.923 4.193 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000302847005 854654589 /nfs/dbraw/zinc/65/45/89/854654589.db2.gz YDXMKESWKFQHNH-UHFFFAOYSA-N 0 0 410.854 4.174 20 5 HIBDRN CSC1(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 ZINC000302851433 854656608 /nfs/dbraw/zinc/65/66/08/854656608.db2.gz IXXLQIXWFMLLFZ-UHFFFAOYSA-N 0 0 421.544 4.320 20 5 HIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000302863650 854660544 /nfs/dbraw/zinc/66/05/44/854660544.db2.gz CQTVXSQBYOUFIO-UHFFFAOYSA-N 0 0 410.257 4.311 20 5 HIBDRN COc1cc(CN2CCC(OCc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000302914522 854677059 /nfs/dbraw/zinc/67/70/59/854677059.db2.gz WGLMZFRVOVTEQB-UHFFFAOYSA-N 0 0 422.428 4.386 20 5 HIBDRN Cn1c2ccccc2nc1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000303006885 854719889 /nfs/dbraw/zinc/71/98/89/854719889.db2.gz IOTJXLYMAPUDOX-FQEVSTJZSA-N 0 0 401.426 4.393 20 5 HIBDRN C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(C(F)(F)F)c1 ZINC000303070694 854747672 /nfs/dbraw/zinc/74/76/72/854747672.db2.gz OTKDTBMGJLIIIR-GFCCVEGCSA-N 0 0 404.348 4.290 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cccc(COC(C)(C)C)c2)cc1C ZINC000303127319 854773923 /nfs/dbraw/zinc/77/39/23/854773923.db2.gz JQKYKFMNAIVDPT-UHFFFAOYSA-N 0 0 406.504 4.005 20 5 HIBDRN O=C(N[C@H](c1nccs1)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000303135833 854778385 /nfs/dbraw/zinc/77/83/85/854778385.db2.gz AGSNZQBAJCMRNP-IBGZPJMESA-N 0 0 408.483 4.171 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000303135655 854778423 /nfs/dbraw/zinc/77/84/23/854778423.db2.gz QFDGVGAEQIMOCC-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1SC ZINC000303163765 854794459 /nfs/dbraw/zinc/79/44/59/854794459.db2.gz AIASZOLGLMOOER-UHFFFAOYSA-N 0 0 404.492 4.424 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(Br)ccc32)cc1SC ZINC000303175494 854800985 /nfs/dbraw/zinc/80/09/85/854800985.db2.gz JLYSTMWXEFZLBE-UHFFFAOYSA-N 0 0 423.288 4.291 20 5 HIBDRN O=C(NCCCC1CCCCC1)c1ccc([N+](=O)[O-])cc1I ZINC000303189562 854808969 /nfs/dbraw/zinc/80/89/69/854808969.db2.gz ZWEPRLHQUJKECP-UHFFFAOYSA-N 0 0 416.259 4.290 20 5 HIBDRN O=C(N[C@H]1CCc2c1cccc2Br)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000303208142 854816939 /nfs/dbraw/zinc/81/69/39/854816939.db2.gz QKAKGOLHGOHXHX-INIZCTEOSA-N 0 0 416.275 4.349 20 5 HIBDRN CSc1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000437336870 862608915 /nfs/dbraw/zinc/60/89/15/862608915.db2.gz LUSPUGTUURDOKH-UONOGXRCSA-N 0 0 407.289 4.365 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O ZINC000303230799 854827647 /nfs/dbraw/zinc/82/76/47/854827647.db2.gz VLIAIJOPAMQHKC-QFIPXVFZSA-N 0 0 423.425 4.095 20 5 HIBDRN COc1ccc2oc([C@@H](C)NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)c(C)c2c1 ZINC000303306261 854863311 /nfs/dbraw/zinc/86/33/11/854863311.db2.gz NUMGPHXRPCGUFS-CQSZACIVSA-N 0 0 420.425 4.335 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1[N+](=O)[O-] ZINC000437339178 862613881 /nfs/dbraw/zinc/61/38/81/862613881.db2.gz BLTYDCTXNOBEEO-UHFFFAOYSA-N 0 0 423.400 4.199 20 5 HIBDRN CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000303331179 854876200 /nfs/dbraw/zinc/87/62/00/854876200.db2.gz UGKBQHSGTHSFOD-JOCHJYFZSA-N 0 0 410.449 4.267 20 5 HIBDRN O=C(Nc1cc(F)ccc1Oc1ccccc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000303402468 854909884 /nfs/dbraw/zinc/90/98/84/854909884.db2.gz PDZNEMFFSOJLBG-UHFFFAOYSA-N 0 0 419.372 4.359 20 5 HIBDRN O=C(CCc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1)N1CCCC1 ZINC000303415913 854917819 /nfs/dbraw/zinc/91/78/19/854917819.db2.gz BGANIRVKCZWZDU-UHFFFAOYSA-N 0 0 401.850 4.056 20 5 HIBDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303448354 854947529 /nfs/dbraw/zinc/94/75/29/854947529.db2.gz DKKFUGZAHAVLEO-ZDUSSCGKSA-N 0 0 418.375 4.160 20 5 HIBDRN COc1cc(-c2noc(CCCCCNc3ccc(F)cc3[N+](=O)[O-])n2)ccc1O ZINC000303451002 854950412 /nfs/dbraw/zinc/95/04/12/854950412.db2.gz JNVTXBIQQVHCCY-UHFFFAOYSA-N 0 0 416.409 4.323 20 5 HIBDRN Cc1nn(CCC(=O)Nc2cccc(OCc3ccccc3C)c2)c(C)c1[N+](=O)[O-] ZINC000303453018 854952065 /nfs/dbraw/zinc/95/20/65/854952065.db2.gz LEUMNFKWIFBQQF-UHFFFAOYSA-N 0 0 408.458 4.324 20 5 HIBDRN O=C(Nc1cccc(Nc2ccccc2)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000303520797 855007534 /nfs/dbraw/zinc/00/75/34/855007534.db2.gz FEAZYEWYCOVUFP-UHFFFAOYSA-N 0 0 400.398 4.171 20 5 HIBDRN Cc1c(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cccc1[N+](=O)[O-] ZINC000303565980 855044241 /nfs/dbraw/zinc/04/42/41/855044241.db2.gz XYRKLSQCQFFYIQ-INIZCTEOSA-N 0 0 405.857 4.090 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(COc2ccccc2)CC1 ZINC000303573983 855049524 /nfs/dbraw/zinc/04/95/24/855049524.db2.gz YXPQJLXCGYPOLG-HNNXBMFYSA-N 0 0 417.893 4.366 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000437353628 862635208 /nfs/dbraw/zinc/63/52/08/862635208.db2.gz DLLXRWIUIVWVEI-LJQANCHMSA-N 0 0 410.470 4.117 20 5 HIBDRN O=C(CN1CCC(C(F)(F)F)(C(F)(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000303677756 855126544 /nfs/dbraw/zinc/12/65/44/855126544.db2.gz LMRAVCDDJQZDPX-UHFFFAOYSA-N 0 0 419.709 4.003 20 5 HIBDRN COc1cc(OCC(=O)N[C@@H](Cc2ccccc2)c2cccs2)ccc1[N+](=O)[O-] ZINC000303679086 855127193 /nfs/dbraw/zinc/12/71/93/855127193.db2.gz RHQNNQLPZCRDLA-KRWDZBQOSA-N 0 0 412.467 4.144 20 5 HIBDRN Nc1c(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc(F)cc1[N+](=O)[O-] ZINC000303703061 855141982 /nfs/dbraw/zinc/14/19/82/855141982.db2.gz XOPPWJDDJSBDLP-GDLZYMKVSA-N 0 0 419.478 4.150 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000303734897 855160390 /nfs/dbraw/zinc/16/03/90/855160390.db2.gz GDCIGMYGCVEMCA-RBUKOAKNSA-N 0 0 414.527 4.364 20 5 HIBDRN CCOc1c(Cl)cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000303758250 855178421 /nfs/dbraw/zinc/17/84/21/855178421.db2.gz DOVXBCVETFQLFC-UHFFFAOYSA-N 0 0 406.866 4.408 20 5 HIBDRN Cc1c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1Cl ZINC000303817123 855219048 /nfs/dbraw/zinc/21/90/48/855219048.db2.gz ONRRWRWACBFHMD-UHFFFAOYSA-N 0 0 412.877 4.495 20 5 HIBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(CC(F)(F)F)cc1 ZINC000303855329 855250770 /nfs/dbraw/zinc/25/07/70/855250770.db2.gz KUNPLORSGIUKQB-UHFFFAOYSA-N 0 0 423.347 4.026 20 5 HIBDRN CCC[C@H](NC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000303856354 855251706 /nfs/dbraw/zinc/25/17/06/855251706.db2.gz FQZGBDKQIKNZTJ-HNNXBMFYSA-N 0 0 407.264 4.394 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)CC2 ZINC000303861843 855257070 /nfs/dbraw/zinc/25/70/70/855257070.db2.gz UCJCPZDOVPQGJQ-UHFFFAOYSA-N 0 0 406.769 4.018 20 5 HIBDRN Cc1cccc(NC2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000303876069 855264298 /nfs/dbraw/zinc/26/42/98/855264298.db2.gz NYRIGJUIJYJVQT-UHFFFAOYSA-N 0 0 402.882 4.072 20 5 HIBDRN COc1ccc(CSCC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000303901255 855277117 /nfs/dbraw/zinc/27/71/17/855277117.db2.gz SRGXDHOIHXVDRE-YOEHRIQHSA-N 0 0 418.490 4.380 20 5 HIBDRN O=C(Nc1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000437368837 862663136 /nfs/dbraw/zinc/66/31/36/862663136.db2.gz LEINNUBHLCCTLL-UHFFFAOYSA-N 0 0 421.375 4.105 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000303974958 855331582 /nfs/dbraw/zinc/33/15/82/855331582.db2.gz VEGZEXMLGNOIRG-FUHWJXTLSA-N 0 0 400.500 4.141 20 5 HIBDRN CCN(Cc1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1)C(C)=O ZINC000437370391 862666740 /nfs/dbraw/zinc/66/67/40/862666740.db2.gz GQVWPRLQOVVYMY-UHFFFAOYSA-N 0 0 410.474 4.160 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)cc1SC ZINC000437370380 862666973 /nfs/dbraw/zinc/66/69/73/862666973.db2.gz QHMVAOULMCKMGN-YPMHNXCESA-N 0 0 424.425 4.213 20 5 HIBDRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000304077965 855350782 /nfs/dbraw/zinc/35/07/82/855350782.db2.gz VLBKXNFYAZFAAC-UHFFFAOYSA-N 0 0 407.264 4.207 20 5 HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1C(F)(F)F ZINC000326223195 855407265 /nfs/dbraw/zinc/40/72/65/855407265.db2.gz HMNHTYRFQIQZJJ-UHFFFAOYSA-N 0 0 403.154 4.306 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000437378034 862686678 /nfs/dbraw/zinc/68/66/78/862686678.db2.gz WVZCFKYYGQUJCB-DOTOQJQBSA-N 0 0 406.891 4.273 20 5 HIBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409563574 855542809 /nfs/dbraw/zinc/54/28/09/855542809.db2.gz RPUKLTQLUABFGZ-XLIONFOSSA-N 0 0 415.287 4.220 20 5 HIBDRN CCC[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000409564190 855543613 /nfs/dbraw/zinc/54/36/13/855543613.db2.gz XBCTVMCXZASLQK-KRWDZBQOSA-N 0 0 403.479 4.148 20 5 HIBDRN CCN(CC)C(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000409719495 855619255 /nfs/dbraw/zinc/61/92/55/855619255.db2.gz JUVBFWGLHXGSJP-UHFFFAOYSA-N 0 0 424.482 4.453 20 5 HIBDRN O=C(N[C@@H]1CCCC12CCOCC2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000409798199 855658359 /nfs/dbraw/zinc/65/83/59/855658359.db2.gz FCALPPKADIYXDX-OAQYLSRUSA-N 0 0 410.470 4.253 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000409815358 855668899 /nfs/dbraw/zinc/66/88/99/855668899.db2.gz BDFJZXFETIGJRL-MSOLQXFVSA-N 0 0 420.296 4.354 20 5 HIBDRN O=C(CCSCc1ccc(Cl)cc1-n1cncn1)Nc1ccccc1[N+](=O)[O-] ZINC000409841797 855681844 /nfs/dbraw/zinc/68/18/44/855681844.db2.gz JXHWAWRFLMPQAQ-UHFFFAOYSA-N 0 0 417.878 4.091 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)COCc2ccccc2)cc1SC ZINC000409887641 855707456 /nfs/dbraw/zinc/70/74/56/855707456.db2.gz PBEFBQSRTRNEEJ-UHFFFAOYSA-N 0 0 404.488 4.051 20 5 HIBDRN CC(C)(COCc1ccccc1)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000409888556 855707748 /nfs/dbraw/zinc/70/77/48/855707748.db2.gz RHSBTVJECSCHSE-UHFFFAOYSA-N 0 0 413.293 4.144 20 5 HIBDRN C[C@H](NC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12)c1ccccc1[N+](=O)[O-] ZINC000409901386 855714072 /nfs/dbraw/zinc/71/40/72/855714072.db2.gz NFMWYIBHPPRPIX-CYFODOTGSA-N 0 0 415.287 4.439 20 5 HIBDRN CN(Cc1ccc(F)cc1Cl)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000409962703 855747247 /nfs/dbraw/zinc/74/72/47/855747247.db2.gz LSQUBAPPQIEZRV-UHFFFAOYSA-N 0 0 405.857 4.262 20 5 HIBDRN Cc1nn(CCC(=O)N2C[C@H](C)C[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000409970184 855752311 /nfs/dbraw/zinc/75/23/11/855752311.db2.gz ITERIIVYTDFKLZ-SJKOYZFVSA-N 0 0 424.423 4.427 20 5 HIBDRN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)s2)c(F)c1 ZINC000409975995 855756806 /nfs/dbraw/zinc/75/68/06/855756806.db2.gz JWGOEAJJTBXHRN-UHFFFAOYSA-N 0 0 402.407 4.130 20 5 HIBDRN Cc1cc(C)cc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000410039165 855792265 /nfs/dbraw/zinc/79/22/65/855792265.db2.gz RUERNXPUNWRIII-UWJYYQICSA-N 0 0 409.486 4.002 20 5 HIBDRN Cc1cc(C)cc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000410039158 855792721 /nfs/dbraw/zinc/79/27/21/855792721.db2.gz RUERNXPUNWRIII-LAUBAEHRSA-N 0 0 409.486 4.002 20 5 HIBDRN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000410051740 855801406 /nfs/dbraw/zinc/80/14/06/855801406.db2.gz YTIGZKGBEARHSY-UHFFFAOYSA-N 0 0 413.434 4.003 20 5 HIBDRN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc21 ZINC000410068719 855807582 /nfs/dbraw/zinc/80/75/82/855807582.db2.gz IUBCJYWADLEOMI-UHFFFAOYSA-N 0 0 422.441 4.100 20 5 HIBDRN CC[C@H](C)[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000410076309 855809990 /nfs/dbraw/zinc/80/99/90/855809990.db2.gz XLWHRCAIUYDFIA-XOBRGWDASA-N 0 0 418.457 4.174 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3ccnc(OC(F)F)c3)no2)cc(C(F)(F)F)c1 ZINC000410171064 855848911 /nfs/dbraw/zinc/84/89/11/855848911.db2.gz QKFXEONVKPNCES-UHFFFAOYSA-N 0 0 402.235 4.327 20 5 HIBDRN COc1cccc(C2(F)CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000410228524 855870933 /nfs/dbraw/zinc/87/09/33/855870933.db2.gz IAHNEPHMRLETDI-UHFFFAOYSA-N 0 0 400.450 4.368 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCOc3c(Br)cccc32)c1 ZINC000410264451 855889739 /nfs/dbraw/zinc/88/97/39/855889739.db2.gz HDCRQLHYKHIBLS-AWEZNQCLSA-N 0 0 423.288 4.333 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000410266142 855890446 /nfs/dbraw/zinc/89/04/46/855890446.db2.gz OZDCBIZMMPDADH-ZDUSSCGKSA-N 0 0 421.247 4.010 20 5 HIBDRN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000410279620 855898626 /nfs/dbraw/zinc/89/86/26/855898626.db2.gz QMSMXZIKMINTNM-QGZVFWFLSA-N 0 0 410.518 4.445 20 5 HIBDRN CSc1cccc(C(=O)N[C@H]2CCOc3c(Br)cccc32)c1[N+](=O)[O-] ZINC000410293079 855909653 /nfs/dbraw/zinc/90/96/53/855909653.db2.gz UDKONTPCSSPWEO-ZDUSSCGKSA-N 0 0 423.288 4.333 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)cc1OC ZINC000410384780 855965339 /nfs/dbraw/zinc/96/53/39/855965339.db2.gz VZMLSOFSQIYHAV-ODXCJYRJSA-N 0 0 404.850 4.321 20 5 HIBDRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000410388415 855967739 /nfs/dbraw/zinc/96/77/39/855967739.db2.gz QXKDBJUIDMHMBH-UHFFFAOYSA-N 0 0 424.310 4.113 20 5 HIBDRN Cn1cc(C(=O)Nc2ccc3ccc(Cl)cc3n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000410404103 855978270 /nfs/dbraw/zinc/97/82/70/855978270.db2.gz NFRQXRUUQYXXGP-UHFFFAOYSA-N 0 0 407.817 4.449 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc2[nH]ccc21 ZINC000425965785 856020723 /nfs/dbraw/zinc/02/07/23/856020723.db2.gz JPGSLXZBHPCKEA-UHFFFAOYSA-N 0 0 422.422 4.239 20 5 HIBDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437404386 862753837 /nfs/dbraw/zinc/75/38/37/862753837.db2.gz JLHWCSSLZZIIRB-UHFFFAOYSA-N 0 0 410.474 4.238 20 5 HIBDRN O=C(Nc1cccc(CN2CCCCC2=O)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426091906 856102709 /nfs/dbraw/zinc/10/27/09/856102709.db2.gz PCHZTBHCDSLCNB-UHFFFAOYSA-N 0 0 422.485 4.304 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CC[C@H](CO)C[C@@H]3C)cc2[N+](=O)[O-])cc1 ZINC000426166815 856149711 /nfs/dbraw/zinc/14/97/11/856149711.db2.gz QIYQCMXSKVRCAH-HOTGVXAUSA-N 0 0 400.500 4.287 20 5 HIBDRN Cn1cc(-c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)c(C(F)(F)F)n1 ZINC000426197809 856170311 /nfs/dbraw/zinc/17/03/11/856170311.db2.gz FHJYQQOVPPQWBU-UHFFFAOYSA-N 0 0 407.230 4.083 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cnc(C3CCCC3)nc2N)no1 ZINC000426213561 856180610 /nfs/dbraw/zinc/18/06/10/856180610.db2.gz CFSGSCVWYYVJGE-AWEZNQCLSA-N 0 0 408.462 4.411 20 5 HIBDRN CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000426236052 856194453 /nfs/dbraw/zinc/19/44/53/856194453.db2.gz FBVMKBMRIBBUIP-WBVHZDCISA-N 0 0 417.428 4.397 20 5 HIBDRN Cc1cccc(OCCN(C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000426256459 856204530 /nfs/dbraw/zinc/20/45/30/856204530.db2.gz LPJMIKAMMIOVMI-UHFFFAOYSA-N 0 0 411.380 4.142 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000426260994 856208184 /nfs/dbraw/zinc/20/81/84/856208184.db2.gz NAGDJYMPPAQZHF-MRXNPFEDSA-N 0 0 408.380 4.010 20 5 HIBDRN C[C@H](CN(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nccs1 ZINC000426268168 856211579 /nfs/dbraw/zinc/21/15/79/856211579.db2.gz BRZYHOMRILGAHQ-SNVBAGLBSA-N 0 0 402.398 4.015 20 5 HIBDRN CN(C[C@H]1OCCc2ccccc21)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426278740 856216364 /nfs/dbraw/zinc/21/63/64/856216364.db2.gz QZYGJIWQHSKATR-GOSISDBHSA-N 0 0 423.391 4.069 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CCC(F)(F)F)CC1CC1 ZINC000426281911 856218788 /nfs/dbraw/zinc/21/87/88/856218788.db2.gz FFGJRJMLIDSNSK-UHFFFAOYSA-N 0 0 413.318 4.488 20 5 HIBDRN Cc1cn2c(nc(C)c2-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)s1 ZINC000426602051 856368424 /nfs/dbraw/zinc/36/84/24/856368424.db2.gz CQNVUAPCYJHIEI-UHFFFAOYSA-N 0 0 407.358 4.239 20 5 HIBDRN CCc1nn(C)cc1-c1noc(-c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000426632397 856384074 /nfs/dbraw/zinc/38/40/74/856384074.db2.gz VSDFFTVDSMXAKI-CYBMUJFWSA-N 0 0 419.445 4.176 20 5 HIBDRN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(Cc2ccccc2)no1 ZINC000426633265 856384106 /nfs/dbraw/zinc/38/41/06/856384106.db2.gz DMLYBJBJXRNRSQ-NSHDSACASA-N 0 0 401.810 4.105 20 5 HIBDRN Cc1cccc(C[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])c1 ZINC000426665209 856401616 /nfs/dbraw/zinc/40/16/16/856401616.db2.gz JFAZTZZQBPTDGF-QGZVFWFLSA-N 0 0 411.483 4.060 20 5 HIBDRN C[C@H](CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)CC(=O)[O-] ZINC000426666107 856401744 /nfs/dbraw/zinc/40/17/44/856401744.db2.gz NYDREDOIYHYPEV-LLVKDONJSA-N 0 0 411.252 4.208 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000426699804 856419523 /nfs/dbraw/zinc/41/95/23/856419523.db2.gz MPUQIPQSRIPBHS-OAHLLOKOSA-N 0 0 423.391 4.253 20 5 HIBDRN CSCC[C@@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000426708756 856425036 /nfs/dbraw/zinc/42/50/36/856425036.db2.gz MQBUBNAXMWRVFH-OAHLLOKOSA-N 0 0 410.879 4.336 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1SC ZINC000426708368 856425049 /nfs/dbraw/zinc/42/50/49/856425049.db2.gz JBFNPBRWDJANOW-HNNXBMFYSA-N 0 0 401.488 4.042 20 5 HIBDRN COc1ccc(-c2ccc(C[NH2+][C@H](c3ccccc3)[C@@H](C)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426717298 856430982 /nfs/dbraw/zinc/43/09/82/856430982.db2.gz OHPSXCKRPKXMQV-SZNDQCEHSA-N 0 0 410.426 4.415 20 5 HIBDRN CC(C)(C)[C@@H](CC(=O)[O-])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426787988 856478156 /nfs/dbraw/zinc/47/81/56/856478156.db2.gz JIBMWFHZGRLTHQ-HXUWFJFHSA-N 0 0 422.485 4.427 20 5 HIBDRN Cc1ccn(-c2ccccc2CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000426833362 856505433 /nfs/dbraw/zinc/50/54/33/856505433.db2.gz CIMDSSRPZNEETD-UHFFFAOYSA-N 0 0 407.474 4.209 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000426833949 856505441 /nfs/dbraw/zinc/50/54/41/856505441.db2.gz MQRSLFMGUXKVTP-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN COc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1C(F)(F)F ZINC000426939782 856551984 /nfs/dbraw/zinc/55/19/84/856551984.db2.gz IRZANLFASVXAKX-UHFFFAOYSA-N 0 0 423.391 4.477 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000426973000 856572302 /nfs/dbraw/zinc/57/23/02/856572302.db2.gz IIXXPSVQLNSKMV-KRWDZBQOSA-N 0 0 411.241 4.124 20 5 HIBDRN COc1cc(CS(=O)(=O)[C@H](C)c2cccc(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000437449112 862814974 /nfs/dbraw/zinc/81/49/74/862814974.db2.gz NZRUQQJLHJDDME-GFCCVEGCSA-N 0 0 415.414 4.189 20 5 HIBDRN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000437449274 862815330 /nfs/dbraw/zinc/81/53/30/862815330.db2.gz PNVJDDQTIAIJET-YPMHNXCESA-N 0 0 414.311 4.084 20 5 HIBDRN C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC000427054615 856612939 /nfs/dbraw/zinc/61/29/39/856612939.db2.gz OGLNMHSARUIUSB-QGZVFWFLSA-N 0 0 418.449 4.104 20 5 HIBDRN Cc1cnc([C@H](C)NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000427058517 856614961 /nfs/dbraw/zinc/61/49/61/856614961.db2.gz CNJNFNLZQZKYRJ-NFAWXSAZSA-N 0 0 402.520 4.333 20 5 HIBDRN Cc1cnc([C@H](C)NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000427058516 856615100 /nfs/dbraw/zinc/61/51/00/856615100.db2.gz CNJNFNLZQZKYRJ-GUTXKFCHSA-N 0 0 402.520 4.333 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437453164 862818084 /nfs/dbraw/zinc/81/80/84/862818084.db2.gz MTIBCZBRHXMHHN-HRAATJIYSA-N 0 0 413.474 4.350 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1 ZINC000427176962 856692645 /nfs/dbraw/zinc/69/26/45/856692645.db2.gz WXFRGZUYXYLITR-UHFFFAOYSA-N 0 0 401.419 4.351 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000427286808 856752151 /nfs/dbraw/zinc/75/21/51/856752151.db2.gz HTQFDHHCKFCUOU-UHFFFAOYSA-N 0 0 409.373 4.247 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2C)cc1[N+](=O)[O-] ZINC000427294452 856756488 /nfs/dbraw/zinc/75/64/88/856756488.db2.gz IQOJHJPNCQEDFW-UHFFFAOYSA-N 0 0 407.835 4.321 20 5 HIBDRN Cc1ccc(-n2nc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c3c2CCC3)cc1 ZINC000437472991 862834050 /nfs/dbraw/zinc/83/40/50/862834050.db2.gz KXDWRZSVPOAEKU-UHFFFAOYSA-N 0 0 416.481 4.382 20 5 HIBDRN COC(=O)c1cc(C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1 ZINC000437472701 862834338 /nfs/dbraw/zinc/83/43/38/862834338.db2.gz ZPVIOCYBGYCPMW-YGUOUDRMSA-N 0 0 422.359 4.076 20 5 HIBDRN Cn1ccnc1-c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 ZINC000427328899 856774957 /nfs/dbraw/zinc/77/49/57/856774957.db2.gz IQVSYYNDSYHTIV-UHFFFAOYSA-N 0 0 421.438 4.496 20 5 HIBDRN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C(C)(C)C)c(OC)c1 ZINC000427339113 856780074 /nfs/dbraw/zinc/78/00/74/856780074.db2.gz SWMWCPSNMAKTTK-UHFFFAOYSA-N 0 0 402.447 4.062 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000427365061 856795320 /nfs/dbraw/zinc/79/53/20/856795320.db2.gz DZLUZNINMHLCFM-UHFFFAOYSA-N 0 0 406.320 4.060 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cn2)n1 ZINC000427372904 856800330 /nfs/dbraw/zinc/80/03/30/856800330.db2.gz SEPWQBIYJPOXIW-UHFFFAOYSA-N 0 0 405.336 4.144 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000427377411 856800903 /nfs/dbraw/zinc/80/09/03/856800903.db2.gz YEOJSJSXZUQXBM-CQSZACIVSA-N 0 0 420.290 4.238 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000427380637 856801619 /nfs/dbraw/zinc/80/16/19/856801619.db2.gz XRCKFTOBZCAMBO-HRAATJIYSA-N 0 0 404.470 4.030 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000427387883 856803221 /nfs/dbraw/zinc/80/32/21/856803221.db2.gz WVICUWVATIVRDQ-AWEZNQCLSA-N 0 0 420.290 4.238 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c(Cl)c2Cl)n1 ZINC000427386093 856803286 /nfs/dbraw/zinc/80/32/86/856803286.db2.gz COMZIMGWRUWKPX-UHFFFAOYSA-N 0 0 408.039 4.133 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cc(Br)c3ccccc32)n1 ZINC000427398521 856806045 /nfs/dbraw/zinc/80/60/45/856806045.db2.gz KZLGFPPOOOFGRU-UHFFFAOYSA-N 0 0 403.236 4.288 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000427397708 856806128 /nfs/dbraw/zinc/80/61/28/856806128.db2.gz ICKQXRJJWYKOAK-UHFFFAOYSA-N 0 0 414.805 4.437 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)n1 ZINC000427472739 856835915 /nfs/dbraw/zinc/83/59/15/856835915.db2.gz HLVSOQZEEJUFKJ-SNVBAGLBSA-N 0 0 419.894 4.388 20 5 HIBDRN C[C@@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1(F)F ZINC000427546297 856859000 /nfs/dbraw/zinc/85/90/00/856859000.db2.gz JKXOPTHEOFTMNN-SECBINFHSA-N 0 0 419.215 4.205 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000427552928 856862692 /nfs/dbraw/zinc/86/26/92/856862692.db2.gz METAEDFPQKSBNG-YSSFQJQWSA-N 0 0 400.500 4.330 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1csc(Nc2ccccn2)n1 ZINC000427598119 856882926 /nfs/dbraw/zinc/88/29/26/856882926.db2.gz AYSRFQPTUIWWGK-UHFFFAOYSA-N 0 0 423.376 4.139 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)n1 ZINC000427601131 856884377 /nfs/dbraw/zinc/88/43/77/856884377.db2.gz JWYSDKAZXHQONQ-CQSZACIVSA-N 0 0 413.503 4.385 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](c2ccccc2)c2cccc3ccccc32)n1 ZINC000427603550 856885433 /nfs/dbraw/zinc/88/54/33/856885433.db2.gz VISBOBOYVXZEPL-OAQYLSRUSA-N 0 0 400.438 4.484 20 5 HIBDRN COc1ccc(C(=O)C[C@H](C)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000427606688 856886231 /nfs/dbraw/zinc/88/62/31/856886231.db2.gz MWFKPQYPADNEQB-LBPRGKRZSA-N 0 0 424.375 4.148 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2Nc2ccc(F)cc2F)n1 ZINC000427618382 856889650 /nfs/dbraw/zinc/88/96/50/856889650.db2.gz OTGXLCJTZUAEFN-UHFFFAOYSA-N 0 0 405.336 4.224 20 5 HIBDRN C[C@H](Cc1cccc(O)c1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000427648263 856896789 /nfs/dbraw/zinc/89/67/89/856896789.db2.gz YVKVYFRUYKXSRC-HZPDHXFCSA-N 0 0 420.469 4.230 20 5 HIBDRN CCc1n[nH]c(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)c1[N+](=O)[O-] ZINC000427813269 856965733 /nfs/dbraw/zinc/96/57/33/856965733.db2.gz UWJYAWVPIGMVLS-CQSZACIVSA-N 0 0 412.412 4.286 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)n1 ZINC000427832493 856974288 /nfs/dbraw/zinc/97/42/88/856974288.db2.gz DGACFSXCNUBGDN-UHFFFAOYSA-N 0 0 420.351 4.221 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1cccc2ccsc21 ZINC000427898544 856997934 /nfs/dbraw/zinc/99/79/34/856997934.db2.gz WALXILZMTCWNQL-UHFFFAOYSA-N 0 0 423.372 4.083 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(COCC2CC2)c1 ZINC000427901638 856999430 /nfs/dbraw/zinc/99/94/30/856999430.db2.gz CGVCZKHHEACWAI-UHFFFAOYSA-N 0 0 407.426 4.087 20 5 HIBDRN COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000427961850 857025302 /nfs/dbraw/zinc/02/53/02/857025302.db2.gz BKZWZDGTYHBSRR-IBGZPJMESA-N 0 0 424.472 4.062 20 5 HIBDRN O=C(c1cnc2ccccc2c1C(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427971736 857028434 /nfs/dbraw/zinc/02/84/34/857028434.db2.gz LIKJNFVNQCWXID-UHFFFAOYSA-N 0 0 417.343 4.197 20 5 HIBDRN O=C(c1ccccc1)c1ccc(N2CC[C@H](OCc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000427981189 857031829 /nfs/dbraw/zinc/03/18/29/857031829.db2.gz OASQCPNBGQCWSB-FQEVSTJZSA-N 0 0 403.438 4.016 20 5 HIBDRN O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1cccc2c(Br)cccc12 ZINC000428093184 857069375 /nfs/dbraw/zinc/06/93/75/857069375.db2.gz PKUWXHXLRVVPCK-UHFFFAOYSA-N 0 0 410.227 4.269 20 5 HIBDRN COC(=O)[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(OC)cc1 ZINC000428101036 857071970 /nfs/dbraw/zinc/07/19/70/857071970.db2.gz RNXPXUJDLYNTPP-HXUWFJFHSA-N 0 0 412.467 4.336 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@H](OCC2CC2)C1 ZINC000428109432 857074074 /nfs/dbraw/zinc/07/40/74/857074074.db2.gz WVEOSFSEWVCLAO-HXUWFJFHSA-N 0 0 409.486 4.238 20 5 HIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H](OCC4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000428113056 857076848 /nfs/dbraw/zinc/07/68/48/857076848.db2.gz QWTXFQMSSIPRKG-HLIPFELVSA-N 0 0 415.534 4.108 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CC[C@](O)(C2CC2)C1 ZINC000428181770 857101257 /nfs/dbraw/zinc/10/12/57/857101257.db2.gz HDVGFYDPDYUOMM-HXUWFJFHSA-N 0 0 418.902 4.386 20 5 HIBDRN O=C(NCc1ccnc(Oc2ccccc2F)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000428201134 857109072 /nfs/dbraw/zinc/10/90/72/857109072.db2.gz DZOZADYRUGIMLO-UHFFFAOYSA-N 0 0 406.373 4.333 20 5 HIBDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000428254318 857128728 /nfs/dbraw/zinc/12/87/28/857128728.db2.gz GLGRURWUMOOZHO-UHFFFAOYSA-N 0 0 401.835 4.444 20 5 HIBDRN O=C1NC(=O)c2cc(NCc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)ccc21 ZINC000428337032 857159892 /nfs/dbraw/zinc/15/98/92/857159892.db2.gz GESSLDGLVHXMOE-UHFFFAOYSA-N 0 0 407.357 4.022 20 5 HIBDRN COC(=O)[C@@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000428385205 857185594 /nfs/dbraw/zinc/18/55/94/857185594.db2.gz PRPWEAOQFCKKIH-YJYMSZOUSA-N 0 0 406.866 4.082 20 5 HIBDRN COc1cc(CNCc2ccc(Cl)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000428412766 857196645 /nfs/dbraw/zinc/19/66/45/857196645.db2.gz XIQUYFRXIDYTQD-UHFFFAOYSA-N 0 0 404.772 4.330 20 5 HIBDRN CC(C)(C)c1csc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000437553734 862882728 /nfs/dbraw/zinc/88/27/28/862882728.db2.gz FFXUOVZVFGOFGD-UHFFFAOYSA-N 0 0 404.492 4.424 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000428482193 857221386 /nfs/dbraw/zinc/22/13/86/857221386.db2.gz PJFHZAKEXBULTD-LBPRGKRZSA-N 0 0 422.279 4.269 20 5 HIBDRN CCOc1nc(C(F)(F)F)ccc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000428511397 857233420 /nfs/dbraw/zinc/23/34/20/857233420.db2.gz OXXMSTATWNZVKF-UHFFFAOYSA-N 0 0 409.364 4.212 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccccc2F)cs1 ZINC000428564389 857268061 /nfs/dbraw/zinc/26/80/61/857268061.db2.gz WZKARRTXOWEBBB-UHFFFAOYSA-N 0 0 403.460 4.266 20 5 HIBDRN C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000428624309 857281442 /nfs/dbraw/zinc/28/14/42/857281442.db2.gz GKQSNSALAWQINV-SNVBAGLBSA-N 0 0 402.398 4.140 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCC(O)(C(F)F)CC1 ZINC000428651201 857289786 /nfs/dbraw/zinc/28/97/86/857289786.db2.gz KVYBPLJPSWMBCW-UHFFFAOYSA-N 0 0 414.474 4.109 20 5 HIBDRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000428769221 857327366 /nfs/dbraw/zinc/32/73/66/857327366.db2.gz CFDRHMBALKVPQK-UGSOOPFHSA-N 0 0 423.391 4.014 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCC[C@@H]3CCO)cc2[N+](=O)[O-])cc1 ZINC000428791190 857341817 /nfs/dbraw/zinc/34/18/17/857341817.db2.gz YYKSYNUHYDZDNV-QAPCUYQASA-N 0 0 400.500 4.335 20 5 HIBDRN Cc1nc(C)n(Cc2cccc(NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)n1 ZINC000428812776 857357351 /nfs/dbraw/zinc/35/73/51/857357351.db2.gz ZSMCAXOJJJMFNT-AWEZNQCLSA-N 0 0 408.462 4.043 20 5 HIBDRN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000428876643 857383705 /nfs/dbraw/zinc/38/37/05/857383705.db2.gz NPQIEVHVOQEXPO-UHFFFAOYSA-N 0 0 413.846 4.424 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2OCCn2ccnc2)cc1[N+](=O)[O-] ZINC000428892233 857395696 /nfs/dbraw/zinc/39/56/96/857395696.db2.gz LEAQKVAGKMHYGW-MRXNPFEDSA-N 0 0 409.446 4.061 20 5 HIBDRN O=C(Nc1cnns1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000428926134 857420196 /nfs/dbraw/zinc/42/01/96/857420196.db2.gz GYYRMBHJCMVTJA-UHFFFAOYSA-N 0 0 415.481 4.460 20 5 HIBDRN C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428926902 857421299 /nfs/dbraw/zinc/42/12/99/857421299.db2.gz CZMYYVDAPGGEGS-UGSOOPFHSA-N 0 0 423.391 4.014 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000429055843 857481756 /nfs/dbraw/zinc/48/17/56/857481756.db2.gz OSAMYANSIAXSTF-JTQLQIEISA-N 0 0 402.756 4.464 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000429077545 857497992 /nfs/dbraw/zinc/49/79/92/857497992.db2.gz VGMYFHNRLPFGLQ-SJORKVTESA-N 0 0 412.490 4.179 20 5 HIBDRN CCOc1cc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OCC ZINC000437608998 862924619 /nfs/dbraw/zinc/92/46/19/862924619.db2.gz ZVLJHXOKGCUIFK-KRWDZBQOSA-N 0 0 413.474 4.489 20 5 HIBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCOC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429250959 857574651 /nfs/dbraw/zinc/57/46/51/857574651.db2.gz AJLBRLVSRMZBTG-NZQKXSOJSA-N 0 0 423.513 4.332 20 5 HIBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCOC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429250962 857575562 /nfs/dbraw/zinc/57/55/62/857575562.db2.gz AJLBRLVSRMZBTG-OFNKIYASSA-N 0 0 423.513 4.332 20 5 HIBDRN CCCc1c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cnn1-c1ccccc1C ZINC000429260971 857580485 /nfs/dbraw/zinc/58/04/85/857580485.db2.gz YZVVLPJJFQVIOR-UHFFFAOYSA-N 0 0 408.414 4.022 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC000429485302 857691458 /nfs/dbraw/zinc/69/14/58/857691458.db2.gz SYAKUXZYPITYIE-SECBINFHSA-N 0 0 409.225 4.437 20 5 HIBDRN CN(Cc1cn2c(n1)CCCC2)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000429517059 857711806 /nfs/dbraw/zinc/71/18/06/857711806.db2.gz JHTKOAHLPXLGLA-UHFFFAOYSA-N 0 0 419.485 4.012 20 5 HIBDRN Cc1noc(C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2)n1 ZINC000429522538 857716047 /nfs/dbraw/zinc/71/60/47/857716047.db2.gz PNCRSNAOYQICLV-HNNXBMFYSA-N 0 0 420.347 4.019 20 5 HIBDRN COc1cc(OC)c(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1Br ZINC000429644602 857816136 /nfs/dbraw/zinc/81/61/36/857816136.db2.gz JKRMCKYWCOBXOL-UHFFFAOYSA-N 0 0 424.251 4.038 20 5 HIBDRN O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429780818 857883008 /nfs/dbraw/zinc/88/30/08/857883008.db2.gz CUUOXLGESPDXGD-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN Cc1c(NCC(=O)Nc2ccnn2C2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000429798535 857888553 /nfs/dbraw/zinc/88/85/53/857888553.db2.gz IQSNPGQIJNWWRN-UHFFFAOYSA-N 0 0 422.283 4.028 20 5 HIBDRN O=C(N[C@H]1CCOc2c(Cl)cccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429820136 857897183 /nfs/dbraw/zinc/89/71/83/857897183.db2.gz AMQNWVKYDVLENV-ZDUSSCGKSA-N 0 0 411.639 4.264 20 5 HIBDRN COCCCOc1ccccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429836463 857902825 /nfs/dbraw/zinc/90/28/25/857902825.db2.gz AXBUJULSNXVWOF-UHFFFAOYSA-N 0 0 409.236 4.025 20 5 HIBDRN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000429835874 857903038 /nfs/dbraw/zinc/90/30/38/857903038.db2.gz CWMBBSHBKCJRKL-OAHLLOKOSA-N 0 0 419.311 4.338 20 5 HIBDRN O=C(CCc1cc(Cl)ccc1Br)NCCc1ccc([N+](=O)[O-])cc1 ZINC000429839682 857905567 /nfs/dbraw/zinc/90/55/67/857905567.db2.gz MGFBHGQFQOVJST-UHFFFAOYSA-N 0 0 411.683 4.302 20 5 HIBDRN Cc1cc(I)ccc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429932485 857956926 /nfs/dbraw/zinc/95/69/26/857956926.db2.gz YARKCCRMQNQKOE-UHFFFAOYSA-N 0 0 424.238 4.424 20 5 HIBDRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1OC ZINC000429941472 857961280 /nfs/dbraw/zinc/96/12/80/857961280.db2.gz DBBTYWMVLOBGEG-LLVKDONJSA-N 0 0 423.263 4.174 20 5 HIBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1ccc(F)cc1F)C1CC1 ZINC000429952501 857965922 /nfs/dbraw/zinc/96/59/22/857965922.db2.gz RJUGFIOFXJTKDZ-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN O=C(Nc1ccc(Br)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429962402 857972635 /nfs/dbraw/zinc/97/26/35/857972635.db2.gz INLPHRMHPNAXCD-UHFFFAOYSA-N 0 0 400.026 4.372 20 5 HIBDRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)nn1-c1ccc(Br)cc1 ZINC000429968794 857975120 /nfs/dbraw/zinc/97/51/20/857975120.db2.gz UAVLCQPTJHCPCR-UHFFFAOYSA-N 0 0 415.247 4.412 20 5 HIBDRN Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000429975165 857977954 /nfs/dbraw/zinc/97/79/54/857977954.db2.gz ZQBHLCHOSLQKEJ-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN O=C(Nc1cccc(Cl)c1-n1cccn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430043141 858007886 /nfs/dbraw/zinc/00/78/86/858007886.db2.gz DTNPNSHFODNTBL-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN O=C(NCc1ccc(F)cc1Br)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430124606 858042214 /nfs/dbraw/zinc/04/22/14/858042214.db2.gz AQMBOBFFYALGQM-UHFFFAOYSA-N 0 0 422.254 4.371 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000430191141 858074258 /nfs/dbraw/zinc/07/42/58/858074258.db2.gz FLPLRSYQBMGOAI-UHFFFAOYSA-N 0 0 418.247 4.119 20 5 HIBDRN COc1ccc(CN(CCc2ccccn2)Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430236765 858092320 /nfs/dbraw/zinc/09/23/20/858092320.db2.gz IAMUZTYISCPLFX-UHFFFAOYSA-N 0 0 407.470 4.252 20 5 HIBDRN CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000430420074 858151959 /nfs/dbraw/zinc/15/19/59/858151959.db2.gz AHGVACVAJSNWGA-HOTGVXAUSA-N 0 0 415.660 4.285 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430446706 858169362 /nfs/dbraw/zinc/16/93/62/858169362.db2.gz GOTGNJRZPBDAMU-HXUWFJFHSA-N 0 0 409.486 4.033 20 5 HIBDRN CC[C@@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC000430459724 858176717 /nfs/dbraw/zinc/17/67/17/858176717.db2.gz KTXPGRVDIOLCLN-ZDUSSCGKSA-N 0 0 412.364 4.210 20 5 HIBDRN COCCCOc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000430464910 858179089 /nfs/dbraw/zinc/17/90/89/858179089.db2.gz XFYOAUYOQPSJOD-UHFFFAOYSA-N 0 0 416.477 4.209 20 5 HIBDRN C[C@@H](Oc1ccccc1Br)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000430563926 858219670 /nfs/dbraw/zinc/21/96/70/858219670.db2.gz YBJVPRBKHJSHDT-GFCCVEGCSA-N 0 0 407.264 4.176 20 5 HIBDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000430590523 858229523 /nfs/dbraw/zinc/22/95/23/858229523.db2.gz CWBOVZKXJQMWBE-GFCCVEGCSA-N 0 0 404.264 4.090 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000430598038 858232733 /nfs/dbraw/zinc/23/27/33/858232733.db2.gz NLFDXOJSIJHNQN-SJLPKXTDSA-N 0 0 419.275 4.316 20 5 HIBDRN O=C(NC[C@@H]1SCCc2ccccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430625066 858239517 /nfs/dbraw/zinc/23/95/17/858239517.db2.gz IYPIZRIDZMJNPG-INIZCTEOSA-N 0 0 407.289 4.118 20 5 HIBDRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430630713 858241687 /nfs/dbraw/zinc/24/16/87/858241687.db2.gz SFDWWJAYMWQZMG-UKRRQHHQSA-N 0 0 403.276 4.451 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(-c2ccncc2)nc2ccccn21 ZINC000430648308 858246776 /nfs/dbraw/zinc/24/67/76/858246776.db2.gz GLZHHEIBLOIILW-CQSZACIVSA-N 0 0 419.466 4.424 20 5 HIBDRN Cc1c(C(=O)N2c3ccccc3S[C@H](C)[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000430664730 858257612 /nfs/dbraw/zinc/25/76/12/858257612.db2.gz OWBYSRFQZWZEIB-TZMCWYRMSA-N 0 0 409.471 4.013 20 5 HIBDRN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(-c2nc(C3CC3)no2)c1 ZINC000430705794 858275389 /nfs/dbraw/zinc/27/53/89/858275389.db2.gz SCECTFDPZQJVSH-UHFFFAOYSA-N 0 0 408.414 4.157 20 5 HIBDRN CCc1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cnn1-c1ccccc1Cl ZINC000430829337 858320830 /nfs/dbraw/zinc/32/08/30/858320830.db2.gz YNNRKIFUEBKOIC-UHFFFAOYSA-N 0 0 414.849 4.322 20 5 HIBDRN Cc1c(Br)cc(S(=O)(=O)Nc2ccsc2Cl)cc1[N+](=O)[O-] ZINC000437669902 863011451 /nfs/dbraw/zinc/01/14/51/863011451.db2.gz FHPFXCIXFYZLRV-UHFFFAOYSA-N 0 0 411.686 4.181 20 5 HIBDRN O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430863930 858342536 /nfs/dbraw/zinc/34/25/36/858342536.db2.gz RVTBLKOKQWCDLV-FUHWJXTLSA-N 0 0 419.275 4.225 20 5 HIBDRN C[C@H]1CCN(c2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)ccn2)C1 ZINC000437676046 863017881 /nfs/dbraw/zinc/01/78/81/863017881.db2.gz SPOMSPDAUGQCRU-AWEZNQCLSA-N 0 0 422.407 4.041 20 5 HIBDRN COC(=O)c1cc([C@@H](C)SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)oc1C ZINC000431076253 858436369 /nfs/dbraw/zinc/43/63/69/858436369.db2.gz IZPOBXQLRLPDRC-GFCCVEGCSA-N 0 0 420.443 4.075 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000431157698 858476840 /nfs/dbraw/zinc/47/68/40/858476840.db2.gz XNTCXJYROHHMOP-HNNXBMFYSA-N 0 0 423.238 4.239 20 5 HIBDRN COc1c(F)ccc(F)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431176243 858487705 /nfs/dbraw/zinc/48/77/05/858487705.db2.gz SXDBZVSKTRMKFS-UHFFFAOYSA-N 0 0 401.163 4.205 20 5 HIBDRN Cc1c(NC(=O)c2cnn(Cc3ccccc3)c2)cc(Br)cc1[N+](=O)[O-] ZINC000431178172 858488849 /nfs/dbraw/zinc/48/88/49/858488849.db2.gz IBZNOUMPBOPGSJ-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN Cc1cc(-c2noc(COc3c(Br)cccc3[N+](=O)[O-])n2)ccc1F ZINC000431216242 858510334 /nfs/dbraw/zinc/51/03/34/858510334.db2.gz AYBNGZRJAQZAFP-UHFFFAOYSA-N 0 0 408.183 4.434 20 5 HIBDRN Cc1ccc(CN(C(=O)COc2c(Br)cccc2[N+](=O)[O-])C2CC2)cc1 ZINC000431217245 858510887 /nfs/dbraw/zinc/51/08/87/858510887.db2.gz ANCPDESRYZHPLH-UHFFFAOYSA-N 0 0 419.275 4.236 20 5 HIBDRN COc1cc(C(=O)Nc2c3c(ccc2Cl)CC(C)(C)O3)c([N+](=O)[O-])cc1OC ZINC000431219865 858512405 /nfs/dbraw/zinc/51/24/05/858512405.db2.gz JAJRARWLDLOTPK-UHFFFAOYSA-N 0 0 406.822 4.231 20 5 HIBDRN Cc1oc(-c2ccco2)nc1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431220016 858513144 /nfs/dbraw/zinc/51/31/44/858513144.db2.gz AISJYKOQZUKKTR-UHFFFAOYSA-N 0 0 420.219 4.403 20 5 HIBDRN CCc1ccc(C(=O)N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000431227838 858518168 /nfs/dbraw/zinc/51/81/68/858518168.db2.gz BRMJDUPWILLHEW-UHFFFAOYSA-N 0 0 412.877 4.387 20 5 HIBDRN Cc1c(NC(=O)c2cc3c(c(Cl)c2)OCO3)cc(Br)cc1[N+](=O)[O-] ZINC000431256031 858534745 /nfs/dbraw/zinc/53/47/45/858534745.db2.gz DZPFHNJBXLSMAD-UHFFFAOYSA-N 0 0 413.611 4.300 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CCc1ccccn1)Cc1cccnc1 ZINC000431293271 858550351 /nfs/dbraw/zinc/55/03/51/858550351.db2.gz FBOQVQBGBYZKGE-UHFFFAOYSA-N 0 0 410.861 4.232 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000431329185 858567808 /nfs/dbraw/zinc/56/78/08/858567808.db2.gz QOUHMLLUUYZCNP-DIFFPNOSSA-N 0 0 423.238 4.099 20 5 HIBDRN CC(C)(C(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000431338954 858571747 /nfs/dbraw/zinc/57/17/47/858571747.db2.gz WEYJVDVXBIMVNX-UHFFFAOYSA-N 0 0 409.486 4.318 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000431429533 858610966 /nfs/dbraw/zinc/61/09/66/858610966.db2.gz KFZKMKNUUGGOFS-HNNXBMFYSA-N 0 0 417.771 4.431 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3ccc(F)cc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000431439558 858615794 /nfs/dbraw/zinc/61/57/94/858615794.db2.gz DDILSPXLQRKZKA-UHFFFAOYSA-N 0 0 422.844 4.140 20 5 HIBDRN CCOCCOCc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431450000 858621722 /nfs/dbraw/zinc/62/17/22/858621722.db2.gz BYYZHLRKUWFBKQ-UHFFFAOYSA-N 0 0 423.263 4.163 20 5 HIBDRN O=C(Nc1cc(O)c(Br)cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000431451984 858623724 /nfs/dbraw/zinc/62/37/24/858623724.db2.gz LRNGMJCHUUGMPL-UHFFFAOYSA-N 0 0 416.025 4.078 20 5 HIBDRN CCOc1ccc([C@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1OC ZINC000431452648 858623919 /nfs/dbraw/zinc/62/39/19/858623919.db2.gz XMOWADYSSFCWRE-NSHDSACASA-N 0 0 423.263 4.256 20 5 HIBDRN Cc1ccnc(-c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2)n1 ZINC000431459105 858626840 /nfs/dbraw/zinc/62/68/40/858626840.db2.gz SKXHTMJDOBTSSZ-UHFFFAOYSA-N 0 0 413.231 4.375 20 5 HIBDRN O=C(NCCCc1c[nH]c2ccccc12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431467157 858630373 /nfs/dbraw/zinc/63/03/73/858630373.db2.gz WSKSYAPEBWETEE-UHFFFAOYSA-N 0 0 402.248 4.201 20 5 HIBDRN O=C(Nc1ccc(OC(F)F)c(F)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431475084 858634248 /nfs/dbraw/zinc/63/42/48/858634248.db2.gz XSEDJJUNNLRWQR-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN Cc1ccccc1[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000431489713 858641581 /nfs/dbraw/zinc/64/15/81/858641581.db2.gz ZQASZVYXTWHXIR-UGSOOPFHSA-N 0 0 419.275 4.268 20 5 HIBDRN CCOc1cc(NC(=O)N(C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])cc1OCC ZINC000431546634 858664777 /nfs/dbraw/zinc/66/47/77/858664777.db2.gz QTPFUAUUBQFANR-UHFFFAOYSA-N 0 0 416.478 4.122 20 5 HIBDRN C[C@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431728602 858768106 /nfs/dbraw/zinc/76/81/06/858768106.db2.gz NXPLIPJZPTZPKZ-RYUDHWBXSA-N 0 0 415.837 4.420 20 5 HIBDRN CC(C)(NC(=O)NCc1ccc(OCc2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000431777266 858806828 /nfs/dbraw/zinc/80/68/28/858806828.db2.gz AOIIBUPTPOLVIA-UHFFFAOYSA-N 0 0 420.469 4.303 20 5 HIBDRN Cc1ccccc1C1(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000431781529 858809018 /nfs/dbraw/zinc/80/90/18/858809018.db2.gz CCPFHFWFJKBXJM-UHFFFAOYSA-N 0 0 411.502 4.186 20 5 HIBDRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000431844771 858837089 /nfs/dbraw/zinc/83/70/89/858837089.db2.gz YWCNWSRPDBXVCN-UHFFFAOYSA-N 0 0 424.476 4.493 20 5 HIBDRN C[C@H](Oc1ccc([N+](=O)[O-])c(CO)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000431862433 858844190 /nfs/dbraw/zinc/84/41/90/858844190.db2.gz ODZWCVKHIOXTMH-INIZCTEOSA-N 0 0 422.437 4.072 20 5 HIBDRN CN(C)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000431866009 858845797 /nfs/dbraw/zinc/84/57/97/858845797.db2.gz DIMABBVGFQZSBG-GOSISDBHSA-N 0 0 404.898 4.085 20 5 HIBDRN CC(C)(NC(=O)NCc1ccc(N2CCCCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000431885762 858855939 /nfs/dbraw/zinc/85/59/39/858855939.db2.gz VAHDCSZKECTDPR-UHFFFAOYSA-N 0 0 411.506 4.105 20 5 HIBDRN Cc1ccccc1Cc1noc(COc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000431911180 858866880 /nfs/dbraw/zinc/86/68/80/858866880.db2.gz YFXIESYQSMCXFW-UHFFFAOYSA-N 0 0 404.220 4.219 20 5 HIBDRN COCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000431915594 858868355 /nfs/dbraw/zinc/86/83/55/858868355.db2.gz DCRALOFYXQAVDP-CYBMUJFWSA-N 0 0 407.264 4.207 20 5 HIBDRN COc1ccccc1[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431916842 858869069 /nfs/dbraw/zinc/86/90/69/858869069.db2.gz QIXFGQKCDPQEJI-MRXNPFEDSA-N 0 0 405.248 4.343 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(CCc1cccc(F)c1)C1CC1 ZINC000431924835 858872842 /nfs/dbraw/zinc/87/28/42/858872842.db2.gz LQFPLIYUKAJTAY-UHFFFAOYSA-N 0 0 407.239 4.344 20 5 HIBDRN COc1ccccc1C[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431931838 858876601 /nfs/dbraw/zinc/87/66/01/858876601.db2.gz SXAGWRWXRYYZMC-MRXNPFEDSA-N 0 0 419.275 4.213 20 5 HIBDRN Cc1ccc([C@@H](C)N2C(=O)CN(Cc3ccc(C(F)(F)F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000431934587 858877255 /nfs/dbraw/zinc/87/72/55/858877255.db2.gz FBEQPSRCTZAXLL-CYBMUJFWSA-N 0 0 421.375 4.447 20 5 HIBDRN COc1ccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000431970611 858894862 /nfs/dbraw/zinc/89/48/62/858894862.db2.gz IILPGNHLNXAIBI-UHFFFAOYSA-N 0 0 411.380 4.357 20 5 HIBDRN COc1ccc(C(C)(C)CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000431975779 858897840 /nfs/dbraw/zinc/89/78/40/858897840.db2.gz YXINIBIAGQRUGA-UHFFFAOYSA-N 0 0 415.490 4.124 20 5 HIBDRN Cc1ccc(-c2nc(CCNC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)co2)cc1 ZINC000431991744 858908649 /nfs/dbraw/zinc/90/86/49/858908649.db2.gz LZINSBUATUPWFU-UHFFFAOYSA-N 0 0 408.458 4.335 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(F)c1Br ZINC000432003124 858917738 /nfs/dbraw/zinc/91/77/38/858917738.db2.gz OFNOKIRNEIUYJA-UHFFFAOYSA-N 0 0 405.126 4.350 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)Nc3cccc(C(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000432025462 858936875 /nfs/dbraw/zinc/93/68/75/858936875.db2.gz PKWBNKOXXDNYEF-UHFFFAOYSA-N 0 0 420.416 4.285 20 5 HIBDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000432029159 858938192 /nfs/dbraw/zinc/93/81/92/858938192.db2.gz BCFPAAANSFHKAS-INIZCTEOSA-N 0 0 419.485 4.180 20 5 HIBDRN O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000432201794 859043912 /nfs/dbraw/zinc/04/39/12/859043912.db2.gz FSWQPVOGQVFYOJ-UHFFFAOYSA-N 0 0 409.402 4.295 20 5 HIBDRN Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000432213054 859049820 /nfs/dbraw/zinc/04/98/20/859049820.db2.gz BSSGITLJDUPGRM-MRXNPFEDSA-N 0 0 411.487 4.132 20 5 HIBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)cc1 ZINC000432262169 859074441 /nfs/dbraw/zinc/07/44/41/859074441.db2.gz LKRRQJCRXOHRPV-MRXNPFEDSA-N 0 0 414.405 4.023 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccccc2)c2ncccc12 ZINC000432265480 859075586 /nfs/dbraw/zinc/07/55/86/859075586.db2.gz UELVTMCRYNUVOU-HXUWFJFHSA-N 0 0 409.467 4.059 20 5 HIBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000432267377 859076270 /nfs/dbraw/zinc/07/62/70/859076270.db2.gz CDPRGPSHCVNWSO-ZDUSSCGKSA-N 0 0 400.378 4.148 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC000432280594 859083088 /nfs/dbraw/zinc/08/30/88/859083088.db2.gz SABVWGIGYLWOKP-UHFFFAOYSA-N 0 0 412.870 4.398 20 5 HIBDRN Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)cc1[N+](=O)[O-] ZINC000432295526 859090289 /nfs/dbraw/zinc/09/02/89/859090289.db2.gz BNXUHPZTEVUEKQ-CQSZACIVSA-N 0 0 400.378 4.148 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCC1(c2cccc(Cl)c2)CC1 ZINC000432320434 859101155 /nfs/dbraw/zinc/10/11/55/859101155.db2.gz OVFABDGVUHOADW-UHFFFAOYSA-N 0 0 411.845 4.023 20 5 HIBDRN Cc1cc(OCC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000432360200 859120305 /nfs/dbraw/zinc/12/03/05/859120305.db2.gz VPZLKSMKOUNROE-UHFFFAOYSA-N 0 0 402.397 4.266 20 5 HIBDRN COc1ccc(CNC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000432378022 859131250 /nfs/dbraw/zinc/13/12/50/859131250.db2.gz OCWGOKXZJYFUNE-KRWDZBQOSA-N 0 0 405.401 4.318 20 5 HIBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000432426400 859160040 /nfs/dbraw/zinc/16/00/40/859160040.db2.gz ZUKBWJBNAYETCT-AWEZNQCLSA-N 0 0 401.422 4.183 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCOC[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000432450284 859169801 /nfs/dbraw/zinc/16/98/01/859169801.db2.gz UQAFPFOZNKONTG-WFASDCNBSA-N 0 0 420.849 4.204 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCOC[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000432450281 859169885 /nfs/dbraw/zinc/16/98/85/859169885.db2.gz UQAFPFOZNKONTG-DOMZBBRYSA-N 0 0 420.849 4.204 20 5 HIBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(-c2nccs2)c1 ZINC000432460002 859172824 /nfs/dbraw/zinc/17/28/24/859172824.db2.gz KTWJJIMZPOTTET-UHFFFAOYSA-N 0 0 406.423 4.284 20 5 HIBDRN COc1cc(C)ccc1-c1noc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 ZINC000432535151 859214613 /nfs/dbraw/zinc/21/46/13/859214613.db2.gz OPFSQAAZPUTELY-UHFFFAOYSA-N 0 0 419.441 4.490 20 5 HIBDRN CCn1c(SCC(=O)C2CCC(F)(F)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000432725265 859320946 /nfs/dbraw/zinc/32/09/46/859320946.db2.gz MDGSLBMWNLISMW-UHFFFAOYSA-N 0 0 410.446 4.360 20 5 HIBDRN Cc1ccn(-c2ccccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000432738362 859329343 /nfs/dbraw/zinc/32/93/43/859329343.db2.gz JDHDFPIMXNUHEI-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COc1ccccc1-c1noc(C2CCN(c3cccc(OC)c3[N+](=O)[O-])CC2)n1 ZINC000432846681 859386453 /nfs/dbraw/zinc/38/64/53/859386453.db2.gz PHYLAWMDYHPKOA-UHFFFAOYSA-N 0 0 410.430 4.046 20 5 HIBDRN CCn1nccc1C1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000432926846 859433779 /nfs/dbraw/zinc/43/37/79/859433779.db2.gz ZVZKEYOFGGJMFT-UHFFFAOYSA-N 0 0 419.354 4.244 20 5 HIBDRN O=[N+]([O-])c1c(N2CCC(Nc3cccc(Br)c3)CC2)nc2sccn21 ZINC000432939135 859439076 /nfs/dbraw/zinc/43/90/76/859439076.db2.gz NDTFUWHKLNHUOZ-UHFFFAOYSA-N 0 0 422.308 4.147 20 5 HIBDRN CC(=O)N(Cc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1)C1CC1 ZINC000432966624 859453329 /nfs/dbraw/zinc/45/33/29/859453329.db2.gz UKAWJCUNEWMMEQ-UHFFFAOYSA-N 0 0 410.474 4.163 20 5 HIBDRN COc1ccccc1-c1noc(C2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000433022227 859483067 /nfs/dbraw/zinc/48/30/67/859483067.db2.gz UHCRJYPKMPUVDX-UHFFFAOYSA-N 0 0 412.421 4.172 20 5 HIBDRN COc1cc(C(=O)N(C)C2CCC(C(C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000433028740 859488103 /nfs/dbraw/zinc/48/81/03/859488103.db2.gz PSVGHFWNARFGLP-UHFFFAOYSA-N 0 0 400.422 4.492 20 5 HIBDRN Cc1ccc(Sc2ccc(CN3CC[S@@](=O)C[C@H](C)C3)cc2[N+](=O)[O-])cc1 ZINC000433033455 859491077 /nfs/dbraw/zinc/49/10/77/859491077.db2.gz VRDJEAFPSDLNOP-CHAGWJKLSA-N 0 0 404.557 4.255 20 5 HIBDRN COCCN1C(=O)CCc2cc(N[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)ccc21 ZINC000433076742 859512398 /nfs/dbraw/zinc/51/23/98/859512398.db2.gz LMQVBFWFSRIGIK-FQEVSTJZSA-N 0 0 409.486 4.355 20 5 HIBDRN NC(=O)c1cc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])c[nH]1 ZINC000467638342 881435145 /nfs/dbraw/zinc/43/51/45/881435145.db2.gz WXTFMGYZYGVRBA-UHFFFAOYSA-N 0 0 416.846 4.079 20 5 HIBDRN O=c1c(Br)cn(Cc2ccc(Oc3ccccc3)c(F)c2)cc1[N+](=O)[O-] ZINC000433377055 859664596 /nfs/dbraw/zinc/66/45/96/859664596.db2.gz LPASPAQTPWXYGQ-UHFFFAOYSA-N 0 0 419.206 4.499 20 5 HIBDRN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000433545629 859767793 /nfs/dbraw/zinc/76/77/93/859767793.db2.gz SVLJCMATKIAKOV-XDHUDOTRSA-N 0 0 412.489 4.005 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000433617539 859811831 /nfs/dbraw/zinc/81/18/31/859811831.db2.gz OCDWSQXVTKKSKL-AWEZNQCLSA-N 0 0 405.735 4.332 20 5 HIBDRN CCOC(=O)c1ccnc(NCc2csc(CCc3ccccc3)n2)c1[N+](=O)[O-] ZINC000433618890 859812536 /nfs/dbraw/zinc/81/25/36/859812536.db2.gz RAASASJZRAGBLE-UHFFFAOYSA-N 0 0 412.471 4.020 20 5 HIBDRN CC(=O)Nc1ccc(CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cn1 ZINC000433674519 859834298 /nfs/dbraw/zinc/83/42/98/859834298.db2.gz XGCPECFFLQWJHO-UHFFFAOYSA-N 0 0 416.503 4.016 20 5 HIBDRN COc1ccccc1CN(Cc1cccs1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433678789 859836005 /nfs/dbraw/zinc/83/60/05/859836005.db2.gz HTROQLKWMWJJHR-UHFFFAOYSA-N 0 0 414.487 4.354 20 5 HIBDRN O=C(Nc1ccccc1)c1ccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000433697966 859841742 /nfs/dbraw/zinc/84/17/42/859841742.db2.gz SGEQAVCMZBCEFV-NRFANRHFSA-N 0 0 416.437 4.065 20 5 HIBDRN Cc1cc(C)nc(Sc2ccc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])cc2)n1 ZINC000433863815 859940673 /nfs/dbraw/zinc/94/06/73/859940673.db2.gz HQIJRCNOVPYTRT-UHFFFAOYSA-N 0 0 412.475 4.252 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000433930562 859980230 /nfs/dbraw/zinc/98/02/30/859980230.db2.gz KPVYHKZRXONJTG-NSHDSACASA-N 0 0 413.261 4.042 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)CC(=O)c2ccco2)cc1 ZINC000433934059 859983247 /nfs/dbraw/zinc/98/32/47/859983247.db2.gz XQLKORWTIAPKBC-CQSZACIVSA-N 0 0 424.409 4.380 20 5 HIBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000433939699 859987232 /nfs/dbraw/zinc/98/72/32/859987232.db2.gz HQAZFTLGAVRVQU-BAUKFBFWSA-N 0 0 411.424 4.272 20 5 HIBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000433945936 859993299 /nfs/dbraw/zinc/99/32/99/859993299.db2.gz MEZCQTWHJYMEFM-UHFFFAOYSA-N 0 0 403.398 4.116 20 5 HIBDRN O=C(Nc1cnn(CC(F)F)c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000467695846 881490619 /nfs/dbraw/zinc/49/06/19/881490619.db2.gz GYDPJRUUSWZOKN-UHFFFAOYSA-N 0 0 403.345 4.493 20 5 HIBDRN CN(Cc1cc(Cl)ccc1F)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000434006201 860034318 /nfs/dbraw/zinc/03/43/18/860034318.db2.gz NIPAKGYUZFWMSV-UHFFFAOYSA-N 0 0 405.857 4.262 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000434018852 860043252 /nfs/dbraw/zinc/04/32/52/860043252.db2.gz SSODWKLRAFGPGZ-UHFFFAOYSA-N 0 0 421.668 4.210 20 5 HIBDRN Cc1cc(-c2csc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])n2)c(F)cc1F ZINC000434030774 860051893 /nfs/dbraw/zinc/05/18/93/860051893.db2.gz JYTRJBAFJHILCR-UHFFFAOYSA-N 0 0 407.402 4.404 20 5 HIBDRN CCc1ccc(C(=O)N(Cc2cccc(C)n2)Cc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000434061667 860071869 /nfs/dbraw/zinc/07/18/69/860071869.db2.gz GKKXVNRDNHKTSP-UHFFFAOYSA-N 0 0 404.470 4.407 20 5 HIBDRN COc1ccc([C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000434187365 860177534 /nfs/dbraw/zinc/17/75/34/860177534.db2.gz AULGJQSBMFJPGQ-GOSISDBHSA-N 0 0 412.421 4.108 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000434243934 860225615 /nfs/dbraw/zinc/22/56/15/860225615.db2.gz QAEOLSBVCHGILY-TZMCWYRMSA-N 0 0 406.385 4.223 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)c1[N+](=O)[O-] ZINC000434246393 860226587 /nfs/dbraw/zinc/22/65/87/860226587.db2.gz SFNYRZJILOIPMB-UHFFFAOYSA-N 0 0 410.396 4.312 20 5 HIBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc3cccc(Br)c3n2)c1[N+](=O)[O-] ZINC000434258922 860236000 /nfs/dbraw/zinc/23/60/00/860236000.db2.gz FFNRQTDRJINASP-UHFFFAOYSA-N 0 0 404.224 4.004 20 5 HIBDRN C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000434259569 860236477 /nfs/dbraw/zinc/23/64/77/860236477.db2.gz HYMWMNONAQDBJA-HNNXBMFYSA-N 0 0 407.426 4.191 20 5 HIBDRN O=C(NCc1csc(CCc2ccccc2)n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000434564562 860403926 /nfs/dbraw/zinc/40/39/26/860403926.db2.gz KQJXFOCYMBBIHW-UHFFFAOYSA-N 0 0 406.467 4.248 20 5 HIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1c[nH]c2cc(F)ccc21)c1ccccc1[N+](=O)[O-] ZINC000434623327 860435918 /nfs/dbraw/zinc/43/59/18/860435918.db2.gz KZEUEQLQTYSVAF-SFHVURJKSA-N 0 0 413.405 4.028 20 5 HIBDRN CCOc1cc(CS(=O)(=O)Cc2csc(CCC(C)C)n2)ccc1[N+](=O)[O-] ZINC000434638043 860442359 /nfs/dbraw/zinc/44/23/59/860442359.db2.gz RRLXTPMHBXVLQY-UHFFFAOYSA-N 0 0 412.533 4.154 20 5 HIBDRN O=C(CN[C@@H](c1cc(F)ccc1F)C(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000434662698 860450642 /nfs/dbraw/zinc/45/06/42/860450642.db2.gz IZFAXQLVYIAKSS-HNNXBMFYSA-N 0 0 405.735 4.061 20 5 HIBDRN O=C(c1ccc(F)cc1)C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000434686792 860460441 /nfs/dbraw/zinc/46/04/41/860460441.db2.gz VEFNMSXZURYWMY-UHFFFAOYSA-N 0 0 409.417 4.484 20 5 HIBDRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000434794960 860496888 /nfs/dbraw/zinc/49/68/88/860496888.db2.gz HGUSKIRDVSGKHJ-PMACEKPBSA-N 0 0 407.426 4.129 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](C)c1ccccc1Br ZINC000434825306 860508684 /nfs/dbraw/zinc/50/86/84/860508684.db2.gz BHYCXSLBPZBFEA-CYBMUJFWSA-N 0 0 406.280 4.297 20 5 HIBDRN CC(C)N(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccco1 ZINC000434831637 860511430 /nfs/dbraw/zinc/51/14/30/860511430.db2.gz XYVOYJREVNBNCU-UHFFFAOYSA-N 0 0 400.460 4.160 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000467747714 881552755 /nfs/dbraw/zinc/55/27/55/881552755.db2.gz UWMDTZKHTSRLQS-UHFFFAOYSA-N 0 0 402.453 4.050 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cnc1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000434946915 860568746 /nfs/dbraw/zinc/56/87/46/860568746.db2.gz MSYBLYKEPRLQBN-UHFFFAOYSA-N 0 0 413.865 4.375 20 5 HIBDRN CNC(=O)c1cc(Oc2cccc(Oc3ncc(Cl)cc3[N+](=O)[O-])c2C)ccn1 ZINC000434952031 860571353 /nfs/dbraw/zinc/57/13/53/860571353.db2.gz RRPLHSGUBOZMRU-UHFFFAOYSA-N 0 0 414.805 4.291 20 5 HIBDRN CCOC(=O)c1cc(NCc2ccc(C(=O)N3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000467748854 881555059 /nfs/dbraw/zinc/55/50/59/881555059.db2.gz KOLSBEPCYQRXET-UHFFFAOYSA-N 0 0 411.458 4.010 20 5 HIBDRN C[C@H](c1ccc(Cl)cc1)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000435026562 860604999 /nfs/dbraw/zinc/60/49/99/860604999.db2.gz MQUGVZOODOBQOL-CQSZACIVSA-N 0 0 400.866 4.268 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000435027600 860605700 /nfs/dbraw/zinc/60/57/00/860605700.db2.gz NDIKYCNVGTYMKC-UHFFFAOYSA-N 0 0 422.224 4.399 20 5 HIBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000467751284 881559536 /nfs/dbraw/zinc/55/95/36/881559536.db2.gz FNQWEWALNARLLX-LCSDZXHASA-N 0 0 400.397 4.015 20 5 HIBDRN CN(C)C(=O)Nc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000435255079 860705378 /nfs/dbraw/zinc/70/53/78/860705378.db2.gz WVUITFVZOXXXHW-UHFFFAOYSA-N 0 0 404.854 4.007 20 5 HIBDRN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cn1 ZINC000435267513 860708711 /nfs/dbraw/zinc/70/87/11/860708711.db2.gz BDZVDTBYBWMXBV-UHFFFAOYSA-N 0 0 423.860 4.306 20 5 HIBDRN Cc1c(NC(=O)N2CCS[C@@H](C(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435324171 860735743 /nfs/dbraw/zinc/73/57/43/860735743.db2.gz TVYNCCAZFOOKKW-CQSZACIVSA-N 0 0 402.314 4.271 20 5 HIBDRN Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435327119 860738256 /nfs/dbraw/zinc/73/82/56/860738256.db2.gz GDXWQFYZRVAHFL-MRVPVSSYSA-N 0 0 411.256 4.023 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)CC2 ZINC000435327355 860738319 /nfs/dbraw/zinc/73/83/19/860738319.db2.gz GTYGDCGXKGNVAS-UHFFFAOYSA-N 0 0 420.263 4.265 20 5 HIBDRN Cc1csc(C(C)(C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1 ZINC000435328813 860739982 /nfs/dbraw/zinc/73/99/82/860739982.db2.gz NBXSSEBLYPJPIQ-UHFFFAOYSA-N 0 0 413.297 4.487 20 5 HIBDRN Cc1c(NC(=O)NCc2ccc(OC(C)C)nc2)cc(Br)cc1[N+](=O)[O-] ZINC000435329475 860740723 /nfs/dbraw/zinc/74/07/23/860740723.db2.gz PSEJNOBIPDGMCB-UHFFFAOYSA-N 0 0 423.267 4.170 20 5 HIBDRN Cc1c(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435328955 860740752 /nfs/dbraw/zinc/74/07/52/860740752.db2.gz NPYSHKGMLCYZQN-WPRPVWTQSA-N 0 0 410.190 4.470 20 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ZINC000435438193 860799010 /nfs/dbraw/zinc/79/90/10/860799010.db2.gz OLPYDIJXWHUTDW-UHFFFAOYSA-N 0 0 419.261 4.394 20 5 HIBDRN O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435444728 860801230 /nfs/dbraw/zinc/80/12/30/860801230.db2.gz ZPZIPDYEYSMVAI-UHFFFAOYSA-N 0 0 419.261 4.394 20 5 HIBDRN CCC(CC)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435499969 860824123 /nfs/dbraw/zinc/82/41/23/860824123.db2.gz DRHNZMBEDWRSFS-UHFFFAOYSA-N 0 0 407.517 4.298 20 5 HIBDRN COc1cccc(C(=O)NC2(c3cccc(Br)c3)CCC2)c1[N+](=O)[O-] ZINC000435500504 860824242 /nfs/dbraw/zinc/82/42/42/860824242.db2.gz LEMLKMKGZDWAAZ-UHFFFAOYSA-N 0 0 405.248 4.175 20 5 HIBDRN C[C@H]1CCCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435500688 860824309 /nfs/dbraw/zinc/82/43/09/860824309.db2.gz LZMMKOHYEGYIOY-LBPRGKRZSA-N 0 0 405.501 4.147 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c(Cl)c1F ZINC000435517040 860834963 /nfs/dbraw/zinc/83/49/63/860834963.db2.gz VVROAOQPLPYYGR-UHFFFAOYSA-N 0 0 401.619 4.122 20 5 HIBDRN O=C(NCC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435516855 860835186 /nfs/dbraw/zinc/83/51/86/860835186.db2.gz VFTGLCAEKZLQQT-UHFFFAOYSA-N 0 0 419.528 4.443 20 5 HIBDRN O=C(NC1CC1)c1ccc(N[C@H]2C[C@@H]2c2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000435575987 860893041 /nfs/dbraw/zinc/89/30/41/860893041.db2.gz SMVVGVBBICXGCO-ZBFHGGJFSA-N 0 0 403.385 4.056 20 5 HIBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000435599607 860904144 /nfs/dbraw/zinc/90/41/44/860904144.db2.gz XMHMNOYCTCJZEJ-MQMHXKEQSA-N 0 0 414.405 4.375 20 5 HIBDRN COc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)c1[N+](=O)[O-] ZINC000435697199 860979495 /nfs/dbraw/zinc/97/94/95/860979495.db2.gz XGCVGPAXANZZTL-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435770920 861045476 /nfs/dbraw/zinc/04/54/76/861045476.db2.gz IRSKZCWZHFVWBI-OAHLLOKOSA-N 0 0 420.498 4.492 20 5 HIBDRN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435770919 861046174 /nfs/dbraw/zinc/04/61/74/861046174.db2.gz IRSKZCWZHFVWBI-HNNXBMFYSA-N 0 0 420.498 4.492 20 5 HIBDRN COc1cccc(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000435814812 861080704 /nfs/dbraw/zinc/08/07/04/861080704.db2.gz BEYXCLFXFKGCBK-UHFFFAOYSA-N 0 0 419.275 4.170 20 5 HIBDRN Cc1cccc2nc(C3CCN(C(=O)COc4ccc([N+](=O)[O-])c(C)c4)CC3)oc21 ZINC000435845600 861108007 /nfs/dbraw/zinc/10/80/07/861108007.db2.gz OJVHCMDAIYPHAO-UHFFFAOYSA-N 0 0 409.442 4.138 20 5 HIBDRN C[C@H]1COCC[C@@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000435860057 861120104 /nfs/dbraw/zinc/12/01/04/861120104.db2.gz CWIUWDDWAKTWHN-WFASDCNBSA-N 0 0 422.840 4.468 20 5 HIBDRN CC[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000435873198 861133508 /nfs/dbraw/zinc/13/35/08/861133508.db2.gz UGRYAXCCDXLDGJ-CYBMUJFWSA-N 0 0 421.291 4.365 20 5 HIBDRN CC(C)(C)c1nnc(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])s1 ZINC000467794883 881618234 /nfs/dbraw/zinc/61/82/34/881618234.db2.gz KTSQKSQRXAFETQ-UHFFFAOYSA-N 0 0 422.308 4.089 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCc2c([nH]c3c2cccc3F)C1 ZINC000467803571 881627221 /nfs/dbraw/zinc/62/72/21/881627221.db2.gz RQBFEFYNVFZOED-UHFFFAOYSA-N 0 0 419.359 4.405 20 5 HIBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437819798 863158213 /nfs/dbraw/zinc/15/82/13/863158213.db2.gz KRCFERHMWJFBIE-JLTOFOAXSA-N 0 0 418.877 4.303 20 5 HIBDRN O=C(NCc1ccc(OCC(F)(F)F)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437916671 863293900 /nfs/dbraw/zinc/29/39/00/863293900.db2.gz QBHYLSICCLLXCO-UHFFFAOYSA-N 0 0 423.391 4.410 20 5 HIBDRN CN(CCCOCc1ccccc1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000467817136 881647172 /nfs/dbraw/zinc/64/71/72/881647172.db2.gz JSQIDTOLISHPKI-UHFFFAOYSA-N 0 0 418.468 4.499 20 5 HIBDRN O=C(NCCc1ccc(Br)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437971347 863340680 /nfs/dbraw/zinc/34/06/80/863340680.db2.gz UYDPOJYPYFCIGP-UHFFFAOYSA-N 0 0 418.291 4.274 20 5 HIBDRN C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Oc1ccccc1Cl ZINC000437973875 863342007 /nfs/dbraw/zinc/34/20/07/863342007.db2.gz HMOADEBVRADOSF-AWEZNQCLSA-N 0 0 403.866 4.390 20 5 HIBDRN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1-n1cccn1 ZINC000437986862 863351576 /nfs/dbraw/zinc/35/15/76/863351576.db2.gz NCYGERQOINSJMQ-INIZCTEOSA-N 0 0 405.458 4.216 20 5 HIBDRN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(-n2cccn2)c1 ZINC000437986421 863351630 /nfs/dbraw/zinc/35/16/30/863351630.db2.gz MIEUFZHOAYMQRA-MRXNPFEDSA-N 0 0 405.458 4.216 20 5 HIBDRN CN(C)c1cc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccccc2n1 ZINC000437993866 863355727 /nfs/dbraw/zinc/35/57/27/863355727.db2.gz FYLIBEMVKRBOQT-UHFFFAOYSA-N 0 0 419.485 4.083 20 5 HIBDRN O=C(NCc1cc(Br)ccc1F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438007697 863367781 /nfs/dbraw/zinc/36/77/81/863367781.db2.gz QSRCGCMWBCWQAI-UHFFFAOYSA-N 0 0 422.254 4.371 20 5 HIBDRN O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438010275 863370496 /nfs/dbraw/zinc/37/04/96/863370496.db2.gz XDHCJTOSZSFXCF-QFIPXVFZSA-N 0 0 423.469 4.191 20 5 HIBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000438150739 863570833 /nfs/dbraw/zinc/57/08/33/863570833.db2.gz WUQBGHZIGBHRHJ-DINDLPBHSA-N 0 0 405.248 4.040 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCc2c(F)ccc(F)c2C1 ZINC000438154603 863574058 /nfs/dbraw/zinc/57/40/58/863574058.db2.gz LTLWWZMLNLURHV-UHFFFAOYSA-N 0 0 416.302 4.013 20 5 HIBDRN O=C(Nc1ccc(CC(F)(F)F)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000438248093 863711235 /nfs/dbraw/zinc/71/12/35/863711235.db2.gz NAXFBJDVSFMBFX-UHFFFAOYSA-N 0 0 408.380 4.054 20 5 HIBDRN O=C(Nc1ccc(CC(F)(F)F)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000438270163 863737571 /nfs/dbraw/zinc/73/75/71/863737571.db2.gz KTWAYLKZDOZQBA-UHFFFAOYSA-N 0 0 408.380 4.054 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000438410697 863854026 /nfs/dbraw/zinc/85/40/26/863854026.db2.gz UQAJUJPFVJSSBH-UHFFFAOYSA-N 0 0 421.478 4.309 20 5 HIBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCS[C@H]2CCCC[C@@H]21 ZINC000438450605 863875398 /nfs/dbraw/zinc/87/53/98/863875398.db2.gz FWLYFLZHSHITGK-GJZGRUSLSA-N 0 0 404.410 4.036 20 5 HIBDRN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCCC(C)(C)C1 ZINC000438505609 863927429 /nfs/dbraw/zinc/92/74/29/863927429.db2.gz CTSJKRMWHBECJF-KRWDZBQOSA-N 0 0 409.914 4.041 20 5 HIBDRN CN(CCOCC1CC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000438527321 863951877 /nfs/dbraw/zinc/95/18/77/863951877.db2.gz IXZRFHRSOXFBQZ-HXUWFJFHSA-N 0 0 417.893 4.286 20 5 HIBDRN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000438540554 863965390 /nfs/dbraw/zinc/96/53/90/863965390.db2.gz KKMIEGOCNQZVDZ-NXEZZACHSA-N 0 0 409.202 4.456 20 5 HIBDRN C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000467863207 881717207 /nfs/dbraw/zinc/71/72/07/881717207.db2.gz JZUUUVQTPYJYPV-WMZOPIPTSA-N 0 0 405.454 4.317 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000438651759 864092850 /nfs/dbraw/zinc/09/28/50/864092850.db2.gz BCLKRWSBMOGJFR-UHFFFAOYSA-N 0 0 405.401 4.082 20 5 HIBDRN CCOc1cc(Cl)ccc1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000438663361 864113342 /nfs/dbraw/zinc/11/33/42/864113342.db2.gz DHLOQARWVZODKG-UHFFFAOYSA-N 0 0 419.865 4.023 20 5 HIBDRN Cn1cc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438676353 864137041 /nfs/dbraw/zinc/13/70/41/864137041.db2.gz DBIKRIHBXZXUBO-PKOBYXMFSA-N 0 0 404.470 4.137 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCCC(C)(C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000467874103 881733726 /nfs/dbraw/zinc/73/37/26/881733726.db2.gz JYHWNJLWRNWEJY-ZDUSSCGKSA-N 0 0 419.503 4.338 20 5 HIBDRN Cc1c(NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000438766996 864262762 /nfs/dbraw/zinc/26/27/62/864262762.db2.gz ZGLZHIJTGZPZPR-UHFFFAOYSA-N 0 0 411.458 4.330 20 5 HIBDRN CSc1cccc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000438796628 864290072 /nfs/dbraw/zinc/29/00/72/864290072.db2.gz RGEJYMBLOHTMJN-UHFFFAOYSA-N 0 0 417.306 4.188 20 5 HIBDRN COC(=O)c1cccc(-c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)c1 ZINC000438828973 864322195 /nfs/dbraw/zinc/32/21/95/864322195.db2.gz YRLJDSLPHGMZQY-UHFFFAOYSA-N 0 0 408.395 4.222 20 5 HIBDRN CCn1c(S[C@@H](C(=O)OC)c2ccccc2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000438897729 864378953 /nfs/dbraw/zinc/37/89/53/864378953.db2.gz VJWHAXFSXPPWEF-QGZVFWFLSA-N 0 0 412.471 4.188 20 5 HIBDRN COc1cc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)ccc1OCCC(C)C ZINC000438901747 864382420 /nfs/dbraw/zinc/38/24/20/864382420.db2.gz CDKLBMMHHMIBPZ-UHFFFAOYSA-N 0 0 400.475 4.196 20 5 HIBDRN Cc1c(CC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cccc1[N+](=O)[O-] ZINC000438908332 864388061 /nfs/dbraw/zinc/38/80/61/864388061.db2.gz FWTIUILGCPCCEM-UHFFFAOYSA-N 0 0 414.465 4.160 20 5 HIBDRN Cc1c(CC(=O)Nc2cc(F)ccc2Sc2nccn2C)cccc1[N+](=O)[O-] ZINC000438913589 864391875 /nfs/dbraw/zinc/39/18/75/864391875.db2.gz REVPAYLGEMHCHM-UHFFFAOYSA-N 0 0 400.435 4.108 20 5 HIBDRN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000438928707 864408090 /nfs/dbraw/zinc/40/80/90/864408090.db2.gz IMYHXTVBVXITAC-XFQXTVEOSA-N 0 0 415.877 4.158 20 5 HIBDRN Cc1nc([C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c2ccc(Cl)cc2)no1 ZINC000438934770 864412572 /nfs/dbraw/zinc/41/25/72/864412572.db2.gz HCVLDJSIIWTPTL-MRXNPFEDSA-N 0 0 421.240 4.421 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000438957133 864426698 /nfs/dbraw/zinc/42/66/98/864426698.db2.gz ITLMBZPXLBBYEV-UHFFFAOYSA-N 0 0 401.507 4.019 20 5 HIBDRN COc1ccc(C(=O)N2CCC(c3ccccc3Br)CC2)cc1[N+](=O)[O-] ZINC000439022441 864475473 /nfs/dbraw/zinc/47/54/73/864475473.db2.gz MLVKSBUUFWKUMS-UHFFFAOYSA-N 0 0 419.275 4.386 20 5 HIBDRN COC(=O)c1cc(Br)cc(NCc2csc([N+](=O)[O-])c2)c1Cl ZINC000439022943 864477851 /nfs/dbraw/zinc/47/78/51/864477851.db2.gz UVOZGAUKWPNBNB-UHFFFAOYSA-N 0 0 405.657 4.471 20 5 HIBDRN Cc1c(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cccc1[N+](=O)[O-] ZINC000439055829 864507722 /nfs/dbraw/zinc/50/77/22/864507722.db2.gz MKYBHHHPAKYSJX-UHFFFAOYSA-N 0 0 404.348 4.289 20 5 HIBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000439066270 864519725 /nfs/dbraw/zinc/51/97/25/864519725.db2.gz QXTAWSIXMBMACL-UHFFFAOYSA-N 0 0 418.236 4.354 20 5 HIBDRN Cc1c(CC(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cccc1[N+](=O)[O-] ZINC000439093117 864536959 /nfs/dbraw/zinc/53/69/59/864536959.db2.gz QMGHCOURBFXVAR-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000439099248 864539860 /nfs/dbraw/zinc/53/98/60/864539860.db2.gz NFZBVSBLZQBHBA-UHFFFAOYSA-N 0 0 406.826 4.390 20 5 HIBDRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000439102255 864541014 /nfs/dbraw/zinc/54/10/14/864541014.db2.gz VQNCQFZWROTZIK-MRXNPFEDSA-N 0 0 419.890 4.019 20 5 HIBDRN CC(C)c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000439106048 864543229 /nfs/dbraw/zinc/54/32/29/864543229.db2.gz KTNOQHFJYANILE-UHFFFAOYSA-N 0 0 404.426 4.040 20 5 HIBDRN COCCOc1ccc([C@@H](C)NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000439107254 864544964 /nfs/dbraw/zinc/54/49/64/864544964.db2.gz KFOMKYFUCJNJBL-CYBMUJFWSA-N 0 0 422.865 4.081 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000439109935 864547368 /nfs/dbraw/zinc/54/73/68/864547368.db2.gz SEXAHXRUZRNYIT-UHFFFAOYSA-N 0 0 410.861 4.161 20 5 HIBDRN CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000439111425 864548577 /nfs/dbraw/zinc/54/85/77/864548577.db2.gz MFDDKVJIYDRSLG-UHFFFAOYSA-N 0 0 421.497 4.160 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000439119946 864555395 /nfs/dbraw/zinc/55/53/95/864555395.db2.gz RZNORGPJTJZPLL-HNNXBMFYSA-N 0 0 422.268 4.088 20 5 HIBDRN NC(=O)c1cccc(NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1[N+](=O)[O-] ZINC000439129590 864564317 /nfs/dbraw/zinc/56/43/17/864564317.db2.gz QSILOUSIYLHVOV-SFHVURJKSA-N 0 0 400.438 4.419 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000439134271 864567849 /nfs/dbraw/zinc/56/78/49/864567849.db2.gz ACPPWMGNYLGJIV-KRWDZBQOSA-N 0 0 419.268 4.463 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000439267397 864684979 /nfs/dbraw/zinc/68/49/79/864684979.db2.gz DLRKQTUDNFHSQB-WDSOQIARSA-N 0 0 424.501 4.052 20 5 HIBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@H]1CCC[C@@H](O)C1 ZINC000439266790 864685308 /nfs/dbraw/zinc/68/53/08/864685308.db2.gz CCQJRAGDWBPRSJ-DZGCQCFKSA-N 0 0 422.840 4.347 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000439267395 864685426 /nfs/dbraw/zinc/68/54/26/864685426.db2.gz DLRKQTUDNFHSQB-QXAKKESOSA-N 0 0 424.501 4.052 20 5 HIBDRN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000439286030 864705904 /nfs/dbraw/zinc/70/59/04/864705904.db2.gz KVWVCZWFVJJCOT-UHFFFAOYSA-N 0 0 422.470 4.321 20 5 HIBDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000439369430 864805593 /nfs/dbraw/zinc/80/55/93/864805593.db2.gz GOGCYPWTVVCEES-UHFFFAOYSA-N 0 0 421.375 4.314 20 5 HIBDRN CC(C)c1ccc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000439415197 864824000 /nfs/dbraw/zinc/82/40/00/864824000.db2.gz YXGGUIYNJAYPQO-UHFFFAOYSA-N 0 0 410.474 4.276 20 5 HIBDRN O=C(N[C@@H]1CCCC[C@H]1O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467933477 881806272 /nfs/dbraw/zinc/80/62/72/881806272.db2.gz MEIPMQVPHJZCDL-HZPDHXFCSA-N 0 0 406.891 4.433 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000467939472 881810532 /nfs/dbraw/zinc/81/05/32/881810532.db2.gz SFOHYXVHKWOJNU-CQSZACIVSA-N 0 0 405.735 4.490 20 5 HIBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCc1cn2cc(Cl)ccc2n1 ZINC000439535361 864868475 /nfs/dbraw/zinc/86/84/75/864868475.db2.gz HDQPHAPKTCFDEU-UHFFFAOYSA-N 0 0 418.862 4.127 20 5 HIBDRN O=C(NCc1cccc(-c2ccccn2)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000439653510 864979439 /nfs/dbraw/zinc/97/94/39/864979439.db2.gz JTWVZPXGUUPONP-UHFFFAOYSA-N 0 0 412.243 4.349 20 5 HIBDRN O=C(Nc1cnccc1-c1cccc(F)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000439672025 865004755 /nfs/dbraw/zinc/00/47/55/865004755.db2.gz KXSJPIBWRWMRPY-UHFFFAOYSA-N 0 0 403.373 4.234 20 5 HIBDRN Cn1cc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000439679474 865015092 /nfs/dbraw/zinc/01/50/92/865015092.db2.gz HHYYEQAGSTUCJO-UHFFFAOYSA-N 0 0 419.363 4.021 20 5 HIBDRN Cc1nc2ccccc2c2c(NC(=O)CCOC3CCOCC3)c3ccccc3n21 ZINC000439796991 865117277 /nfs/dbraw/zinc/11/72/77/865117277.db2.gz ZDRJTTQMZGJSSB-UHFFFAOYSA-N 0 0 403.482 4.473 20 5 HIBDRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000439804937 865123354 /nfs/dbraw/zinc/12/33/54/865123354.db2.gz JPCUIYOZEDVAAT-KUHUBIRLSA-N 0 0 416.547 4.041 20 5 HIBDRN COC(=O)CC1(CC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)CCCC1 ZINC000467990510 881837726 /nfs/dbraw/zinc/83/77/26/881837726.db2.gz MQZFAPPTBYFDOR-UHFFFAOYSA-N 0 0 417.487 4.195 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccccc1NC(C)(C)C ZINC000439840893 865152927 /nfs/dbraw/zinc/15/29/27/865152927.db2.gz BWKLBZPOEWKALZ-UHFFFAOYSA-N 0 0 412.490 4.181 20 5 HIBDRN COc1ccc(Sc2nsc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)n2)cc1 ZINC000439847562 865156842 /nfs/dbraw/zinc/15/68/42/865156842.db2.gz HEOCTDMVHMADLI-UHFFFAOYSA-N 0 0 402.457 4.167 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1cccc(Cl)c1)C(C)C ZINC000439861872 865169600 /nfs/dbraw/zinc/16/96/00/865169600.db2.gz XIMHAFJDCRIQRZ-UHFFFAOYSA-N 0 0 419.865 4.023 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000439864432 865171245 /nfs/dbraw/zinc/17/12/45/865171245.db2.gz FQCVVRVHILGJBK-UHFFFAOYSA-N 0 0 420.263 4.346 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000439871174 865181149 /nfs/dbraw/zinc/18/11/49/865181149.db2.gz HWDQLWLQGZECIA-UHFFFAOYSA-N 0 0 409.446 4.281 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(=O)[C@H](C)CC)c1 ZINC000439880098 865192256 /nfs/dbraw/zinc/19/22/56/865192256.db2.gz IQOYSMPSFXRIHY-CQSZACIVSA-N 0 0 414.462 4.300 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000439887687 865200214 /nfs/dbraw/zinc/20/02/14/865200214.db2.gz LADRQKYOHMYQOB-SNVBAGLBSA-N 0 0 409.240 4.034 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(Br)cs1 ZINC000439925382 865229568 /nfs/dbraw/zinc/22/95/68/865229568.db2.gz GUOUGHHGJCIRLJ-UHFFFAOYSA-N 0 0 400.254 4.139 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000439975173 865268683 /nfs/dbraw/zinc/26/86/83/865268683.db2.gz IKAQJJZWSZXDPY-UHFFFAOYSA-N 0 0 407.474 4.448 20 5 HIBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440005863 865306329 /nfs/dbraw/zinc/30/63/29/865306329.db2.gz IRHCAKYMMJDKFV-XMMPIXPASA-N 0 0 416.481 4.291 20 5 HIBDRN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000440041277 865321876 /nfs/dbraw/zinc/32/18/76/865321876.db2.gz ZUWGHGAVLNCPHU-YSGRDPCXSA-N 0 0 415.877 4.158 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000440060945 865332781 /nfs/dbraw/zinc/33/27/81/865332781.db2.gz JCTVMCPDWQPKEP-SFHVURJKSA-N 0 0 419.865 4.099 20 5 HIBDRN Cc1c(CC(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)cccc1[N+](=O)[O-] ZINC000440274220 865522421 /nfs/dbraw/zinc/52/24/21/865522421.db2.gz ZTENOXGMTPSHFP-UHFFFAOYSA-N 0 0 403.341 4.341 20 5 HIBDRN O=C(N[C@@H]1CCc2c[nH]nc2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000468069876 881885894 /nfs/dbraw/zinc/88/58/94/881885894.db2.gz RLCMROWNAQZOTR-OAHLLOKOSA-N 0 0 412.833 4.051 20 5 HIBDRN CC(C)(O)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000440515738 865801720 /nfs/dbraw/zinc/80/17/20/865801720.db2.gz NLHWXZZFBAEQFN-PTNGSMBKSA-N 0 0 411.483 4.022 20 5 HIBDRN O=C(NCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1cccs1 ZINC000440597569 865829698 /nfs/dbraw/zinc/82/96/98/865829698.db2.gz HXWCFCZWDNJNRW-UHFFFAOYSA-N 0 0 409.467 4.010 20 5 HIBDRN CC(C)(C)OC(=O)CSCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440596551 865829703 /nfs/dbraw/zinc/82/97/03/865829703.db2.gz NIZONQWFWCJAFQ-UHFFFAOYSA-N 0 0 416.499 4.203 20 5 HIBDRN Cc1sc(=O)n(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1C ZINC000440601900 865832528 /nfs/dbraw/zinc/83/25/28/865832528.db2.gz UOKCISUWGQHQFF-UHFFFAOYSA-N 0 0 411.483 4.058 20 5 HIBDRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)n1 ZINC000440606716 865834919 /nfs/dbraw/zinc/83/49/19/865834919.db2.gz BJYOLAGTFXRXGC-UHFFFAOYSA-N 0 0 401.426 4.257 20 5 HIBDRN O=C(CCc1nc(-c2ccco2)no1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440612594 865838170 /nfs/dbraw/zinc/83/81/70/865838170.db2.gz LLXMDCHOJHPECA-UHFFFAOYSA-N 0 0 418.409 4.404 20 5 HIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cc(Cl)ccc1Br ZINC000440619910 865843254 /nfs/dbraw/zinc/84/32/54/865843254.db2.gz GBLRJYFXLXPTDN-UHFFFAOYSA-N 0 0 406.623 4.811 20 5 HIBDRN CN(C)c1cc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2n1 ZINC000440620788 865843399 /nfs/dbraw/zinc/84/33/99/865843399.db2.gz BVGLQXFHUJXFIH-UHFFFAOYSA-N 0 0 406.467 4.354 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C)cc2OC(C)(C)C)cc1OC ZINC000440633954 865850594 /nfs/dbraw/zinc/85/05/94/865850594.db2.gz GTZMRABUTMFAMK-UHFFFAOYSA-N 0 0 416.474 4.418 20 5 HIBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000440649612 865856153 /nfs/dbraw/zinc/85/61/53/865856153.db2.gz SHYBQYDQCXVBMX-UHFFFAOYSA-N 0 0 408.414 4.582 20 5 HIBDRN CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000440716409 865873021 /nfs/dbraw/zinc/87/30/21/865873021.db2.gz YJDMMRZEBSIKKT-KRWDZBQOSA-N 0 0 422.525 4.124 20 5 HIBDRN COC(=O)c1cc(N2CCC[C@@H]2c2ccc(OC)cc2OC)cc(C)c1[N+](=O)[O-] ZINC000440734158 865880513 /nfs/dbraw/zinc/88/05/13/865880513.db2.gz SQSKEFBREBXJLE-GOSISDBHSA-N 0 0 400.431 4.049 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N(Cc1ccsc1)c1cccnc1 ZINC000440737145 865882501 /nfs/dbraw/zinc/88/25/01/865882501.db2.gz BCLIOECDOOIDGB-UHFFFAOYSA-N 0 0 405.382 4.500 20 5 HIBDRN CC(=O)c1ccc(OCc2nnc(-c3ccccc3Br)o2)c([N+](=O)[O-])c1 ZINC000440825223 865940827 /nfs/dbraw/zinc/94/08/27/865940827.db2.gz ZZBUQXZPFRQPPR-UHFFFAOYSA-N 0 0 418.203 4.189 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000440829941 865944927 /nfs/dbraw/zinc/94/49/27/865944927.db2.gz XAIZFBIUTRDHRB-JTQLQIEISA-N 0 0 414.336 4.002 20 5 HIBDRN CC(=O)c1ccc(OCC(=O)N2CCC(CCc3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000440841908 865953023 /nfs/dbraw/zinc/95/30/23/865953023.db2.gz FFARGXVIECLXIP-UHFFFAOYSA-N 0 0 424.497 4.356 20 5 HIBDRN Cc1cnc(OCc2ccnc(-c3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 ZINC000440860575 865961172 /nfs/dbraw/zinc/96/11/72/865961172.db2.gz GBQFXYQMFJSURB-UHFFFAOYSA-N 0 0 401.220 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ZINC000441068172 866156062 /nfs/dbraw/zinc/15/60/62/866156062.db2.gz RHJVLGICBSABED-UHFFFAOYSA-N 0 0 406.261 4.836 20 5 HIBDRN COc1cccc(CCNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000441111238 866206622 /nfs/dbraw/zinc/20/66/22/866206622.db2.gz IYIHJQQIPAJCGD-UHFFFAOYSA-N 0 0 408.414 4.155 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccncc1OCC(F)F ZINC000441145855 866237537 /nfs/dbraw/zinc/23/75/37/866237537.db2.gz IZGKLVNRDLESOU-UHFFFAOYSA-N 0 0 411.430 4.064 20 5 HIBDRN COc1cc2[nH]c(CCCNC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2c(OC)c1 ZINC000441204229 866276904 /nfs/dbraw/zinc/27/69/04/866276904.db2.gz SWJLDBKKWMURCF-UHFFFAOYSA-N 0 0 412.446 4.156 20 5 HIBDRN CCO[C@@H](C)c1nc(CN2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cs1 ZINC000441346029 866417570 /nfs/dbraw/zinc/41/75/70/866417570.db2.gz IGDMLXVZSRLYDK-AWEZNQCLSA-N 0 0 424.954 4.120 20 5 HIBDRN Cc1cncc(N(Cc2ccc(F)cc2)C(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000441413085 866485002 /nfs/dbraw/zinc/48/50/02/866485002.db2.gz XOCAWACONDMPJW-UHFFFAOYSA-N 0 0 408.433 4.107 20 5 HIBDRN CCCN(C(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000441445568 866521643 /nfs/dbraw/zinc/52/16/43/866521643.db2.gz GLFXEHRCSMAKAG-IBGZPJMESA-N 0 0 403.866 4.259 20 5 HIBDRN CCCN(C(=O)c1ccccc1I)c1cccc([N+](=O)[O-])c1 ZINC000441458069 866533396 /nfs/dbraw/zinc/53/33/96/866533396.db2.gz QPDYDJIJADPUDU-UHFFFAOYSA-N 0 0 410.211 4.256 20 5 HIBDRN CCCN(C(=O)CSCC(=O)Nc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000441485994 866566677 /nfs/dbraw/zinc/56/66/77/866566677.db2.gz MAVGYZJHDBIKDN-UHFFFAOYSA-N 0 0 401.488 4.018 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCOc3c(Br)cccc32)c1 ZINC000441519797 866594389 /nfs/dbraw/zinc/59/43/89/866594389.db2.gz BJQBNTARBCYHTJ-UHFFFAOYSA-N 0 0 409.261 4.118 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3cnn(CCC(C)C)c3C)cc2)c(C)c1[N+](=O)[O-] ZINC000441562633 866640768 /nfs/dbraw/zinc/64/07/68/866640768.db2.gz CPXIARANBAUCMM-UHFFFAOYSA-N 0 0 424.505 4.260 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CC(C)(C)O[C@@H]4CCC[C@H]43)cc2[N+](=O)[O-])CC1 ZINC000441563681 866642150 /nfs/dbraw/zinc/64/21/50/866642150.db2.gz GZNIXSHXYBYPLP-UYAOXDASSA-N 0 0 401.507 4.003 20 5 HIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000441782425 866855826 /nfs/dbraw/zinc/85/58/26/866855826.db2.gz AXXSSXHDXNSVDS-CQSZACIVSA-N 0 0 418.519 4.258 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000441833208 866892150 /nfs/dbraw/zinc/89/21/50/866892150.db2.gz IIYBXGHSYYKXED-UHFFFAOYSA-N 0 0 413.474 4.412 20 5 HIBDRN O=C(NCc1cn2ccsc2n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441837756 866897082 /nfs/dbraw/zinc/89/70/82/866897082.db2.gz XTAAXVBVXFMNIF-UHFFFAOYSA-N 0 0 410.480 4.385 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000441871752 866937764 /nfs/dbraw/zinc/93/77/64/866937764.db2.gz MJDBRDJHTCJXKA-MRXNPFEDSA-N 0 0 410.474 4.168 20 5 HIBDRN CC[C@H](C)[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000442159980 867181102 /nfs/dbraw/zinc/18/11/02/867181102.db2.gz XWBZYESTMIBZFD-KPZWWZAWSA-N 0 0 403.866 4.399 20 5 HIBDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000468181073 882057031 /nfs/dbraw/zinc/05/70/31/882057031.db2.gz WUPQYQFRIBDBHJ-UHFFFAOYSA-N 0 0 418.375 4.253 20 5 HIBDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000468208451 882089374 /nfs/dbraw/zinc/08/93/74/882089374.db2.gz HTORYDPUXDYVNT-CYBMUJFWSA-N 0 0 413.865 4.303 20 5 HIBDRN CN(C)c1cccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n1 ZINC000442569124 867536209 /nfs/dbraw/zinc/53/62/09/867536209.db2.gz QGWLYXPLGJCPKU-UHFFFAOYSA-N 0 0 408.483 4.137 20 5 HIBDRN CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000442595673 867552113 /nfs/dbraw/zinc/55/21/13/867552113.db2.gz GPLMPZKBWKYNNW-UHFFFAOYSA-N 0 0 410.320 4.107 20 5 HIBDRN O=C(Nc1cc(F)c(OC(F)F)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000468214245 882095264 /nfs/dbraw/zinc/09/52/64/882095264.db2.gz CENBRCVDTXSTPC-UHFFFAOYSA-N 0 0 413.327 4.327 20 5 HIBDRN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442635507 867576557 /nfs/dbraw/zinc/57/65/57/867576557.db2.gz FQTLHCNNHFXLOG-NQIIRXRSSA-N 0 0 406.463 4.134 20 5 HIBDRN O=C(Nc1cc(F)cc(Br)c1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000468217436 882100730 /nfs/dbraw/zinc/10/07/30/882100730.db2.gz CKRUFFKRMFPUGV-UHFFFAOYSA-N 0 0 408.158 4.436 20 5 HIBDRN O=C(NC[C@H](CO)Cc1ccccc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442714091 867642594 /nfs/dbraw/zinc/64/25/94/867642594.db2.gz KSPOBBWDMUZVDW-GOSISDBHSA-N 0 0 422.506 4.327 20 5 HIBDRN O=C(Nc1ccc2c(c1)CC(=O)N2)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442715036 867643886 /nfs/dbraw/zinc/64/38/86/867643886.db2.gz OYCOTFVVUUXKQA-UHFFFAOYSA-N 0 0 405.435 4.493 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CNc3cc(F)cc(F)c3Br)n2)cc1 ZINC000442877916 867712919 /nfs/dbraw/zinc/71/29/19/867712919.db2.gz XVQIRENGQUSWKV-UHFFFAOYSA-N 0 0 411.162 4.298 20 5 HIBDRN CCCC[C@@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000442896543 867728891 /nfs/dbraw/zinc/72/88/91/867728891.db2.gz ZGFNSFSOBDTOMQ-OAHLLOKOSA-N 0 0 402.472 4.208 20 5 HIBDRN COCc1nc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c(-c2ccccc2)s1 ZINC000442973371 867771280 /nfs/dbraw/zinc/77/12/80/867771280.db2.gz OCILAENKXIDDHE-UHFFFAOYSA-N 0 0 422.466 4.276 20 5 HIBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)cc([N+](=O)[O-])c1OC ZINC000468238844 882134657 /nfs/dbraw/zinc/13/46/57/882134657.db2.gz YNBVVLQWLULHNQ-AWEZNQCLSA-N 0 0 402.447 4.138 20 5 HIBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1coc(-c2c(F)cccc2F)n1 ZINC000443451577 868039774 /nfs/dbraw/zinc/03/97/74/868039774.db2.gz YVCMAZCOASTHBW-NSHDSACASA-N 0 0 408.382 4.204 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443638534 868220892 /nfs/dbraw/zinc/22/08/92/868220892.db2.gz IWIWTNZDTVCXNO-AWEZNQCLSA-N 0 0 412.421 4.002 20 5 HIBDRN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443679913 868286206 /nfs/dbraw/zinc/28/62/06/868286206.db2.gz GECQKRKGQFKYFN-LLVKDONJSA-N 0 0 403.287 4.424 20 5 HIBDRN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443679914 868286222 /nfs/dbraw/zinc/28/62/22/868286222.db2.gz GECQKRKGQFKYFN-NSHDSACASA-N 0 0 403.287 4.424 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H](CCc2ccccc2)c2ccccc2)c1 ZINC000443690746 868292251 /nfs/dbraw/zinc/29/22/51/868292251.db2.gz FIKABGZWYLBYDA-JOCHJYFZSA-N 0 0 410.495 4.388 20 5 HIBDRN CC[C@H](CSc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000443703667 868297279 /nfs/dbraw/zinc/29/72/79/868297279.db2.gz DCSFFKJTFLXQRV-QGZVFWFLSA-N 0 0 415.515 4.050 20 5 HIBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000443773271 868328717 /nfs/dbraw/zinc/32/87/17/868328717.db2.gz HRWPQOPODVNMQR-OAHLLOKOSA-N 0 0 401.271 4.009 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443827358 868359980 /nfs/dbraw/zinc/35/99/80/868359980.db2.gz LISMSUUCADTBMF-AWEZNQCLSA-N 0 0 405.838 4.332 20 5 HIBDRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000443830230 868360633 /nfs/dbraw/zinc/36/06/33/868360633.db2.gz XCJFJSAXSNQVCL-UHFFFAOYSA-N 0 0 407.455 4.039 20 5 HIBDRN CCOc1cc(NC(=O)[C@H]2SCCc3sccc32)c([N+](=O)[O-])cc1OCC ZINC000443842532 868372568 /nfs/dbraw/zinc/37/25/68/868372568.db2.gz PWHUFRNZLWMXCG-KRWDZBQOSA-N 0 0 408.501 4.423 20 5 HIBDRN COc1cc(OCC(=O)N2CCCC[C@H]2c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000443859027 868391308 /nfs/dbraw/zinc/39/13/08/868391308.db2.gz MOBGFGAQCVMSDZ-KRWDZBQOSA-N 0 0 404.850 4.389 20 5 HIBDRN O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443858841 868392087 /nfs/dbraw/zinc/39/20/87/868392087.db2.gz LEDOHGKDPHSHMU-IRXDYDNUSA-N 0 0 412.339 4.403 20 5 HIBDRN CCCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000443866340 868399418 /nfs/dbraw/zinc/39/94/18/868399418.db2.gz HKKAXJCIJXTNCV-ZDUSSCGKSA-N 0 0 423.391 4.493 20 5 HIBDRN Cc1ccc(F)c(CN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000443899912 868436184 /nfs/dbraw/zinc/43/61/84/868436184.db2.gz VECDXVULFYRKJN-UHFFFAOYSA-N 0 0 407.250 4.170 20 5 HIBDRN COc1cccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c1[N+](=O)[O-] ZINC000443917189 868453120 /nfs/dbraw/zinc/45/31/20/868453120.db2.gz OMEQYJVPKSCAML-UHFFFAOYSA-N 0 0 403.485 4.069 20 5 HIBDRN CCNc1ccc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1[N+](=O)[O-] ZINC000443933645 868471809 /nfs/dbraw/zinc/47/18/09/868471809.db2.gz FVLDHTBZCCEFNN-UHFFFAOYSA-N 0 0 417.878 4.375 20 5 HIBDRN COc1cccc(-c2noc([C@H](C)NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)n2)c1 ZINC000443961909 868495064 /nfs/dbraw/zinc/49/50/64/868495064.db2.gz KXKRDOHGIRFPSN-ZDUSSCGKSA-N 0 0 411.418 4.153 20 5 HIBDRN O=C(NC[C@H]1CCc2ccccc21)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444001708 868521832 /nfs/dbraw/zinc/52/18/32/868521832.db2.gz CTKQAGOFFBRDSL-CQSZACIVSA-N 0 0 404.416 4.419 20 5 HIBDRN O=C(NC[C@@H]1CCOc2ccccc21)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444000775 868521940 /nfs/dbraw/zinc/52/19/40/868521940.db2.gz FTFDOXHQGICQIB-AWEZNQCLSA-N 0 0 402.425 4.117 20 5 HIBDRN CCCO[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000444009355 868533024 /nfs/dbraw/zinc/53/30/24/868533024.db2.gz MYKURRZKLNSZHZ-MRXNPFEDSA-N 0 0 414.452 4.381 20 5 HIBDRN O=C(NCC1Cc2ccccc2C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444035608 868572453 /nfs/dbraw/zinc/57/24/53/868572453.db2.gz XDUNYTPGWYPPOQ-UHFFFAOYSA-N 0 0 404.416 4.104 20 5 HIBDRN COc1cccc(O[C@@H](C)CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444082162 868606634 /nfs/dbraw/zinc/60/66/34/868606634.db2.gz MSFHCXFNIPLBKA-AWEZNQCLSA-N 0 0 420.440 4.026 20 5 HIBDRN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444084098 868608366 /nfs/dbraw/zinc/60/83/66/868608366.db2.gz KKCXPKHMJGXYPR-SFHVURJKSA-N 0 0 400.434 4.101 20 5 HIBDRN COc1cccc(C(=O)c2ccc(C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)cc2)c1 ZINC000444093789 868612492 /nfs/dbraw/zinc/61/24/92/868612492.db2.gz JDWUVGGABUVAED-UHFFFAOYSA-N 0 0 416.433 4.427 20 5 HIBDRN CC(C)[C@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCS1 ZINC000444115605 868626564 /nfs/dbraw/zinc/62/65/64/868626564.db2.gz CUNGAVKWXSZITA-GOSISDBHSA-N 0 0 402.466 4.173 20 5 HIBDRN C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1cccc(-n2cccn2)c1 ZINC000444115170 868626788 /nfs/dbraw/zinc/62/67/88/868626788.db2.gz LOXFPCKEWCCQML-MRXNPFEDSA-N 0 0 408.461 4.358 20 5 HIBDRN C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Br)cc1 ZINC000444161009 868642548 /nfs/dbraw/zinc/64/25/48/868642548.db2.gz MZPOETXNAZMPHK-LBPRGKRZSA-N 0 0 404.264 4.186 20 5 HIBDRN C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Br)cc1 ZINC000444167734 868645427 /nfs/dbraw/zinc/64/54/27/868645427.db2.gz MZPOETXNAZMPHK-GFCCVEGCSA-N 0 0 404.264 4.186 20 5 HIBDRN COc1ccc(N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1F ZINC000444221405 868673230 /nfs/dbraw/zinc/67/32/30/868673230.db2.gz DLRRWFFUXYWXQF-UHFFFAOYSA-N 0 0 412.367 4.384 20 5 HIBDRN COc1cc(C)ccc1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444223147 868674715 /nfs/dbraw/zinc/67/47/15/868674715.db2.gz HUASWLATBXOQAL-UHFFFAOYSA-N 0 0 408.404 4.207 20 5 HIBDRN CN(CCOCc1ccccc1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444222230 868674989 /nfs/dbraw/zinc/67/49/89/868674989.db2.gz FDRQAABIUKSLMZ-UHFFFAOYSA-N 0 0 404.441 4.109 20 5 HIBDRN CN(Cc1cc(Cl)cn1C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444230780 868679324 /nfs/dbraw/zinc/67/93/24/868679324.db2.gz AVEDSOBKVWUTOL-UHFFFAOYSA-N 0 0 415.827 4.224 20 5 HIBDRN O=C(Nc1cc(F)cc(F)c1Br)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000468291558 882215212 /nfs/dbraw/zinc/21/52/12/882215212.db2.gz QHWLMVFYJYWXIC-UHFFFAOYSA-N 0 0 423.173 4.074 20 5 HIBDRN COc1cc(C)cc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000444235815 868684278 /nfs/dbraw/zinc/68/42/78/868684278.db2.gz GLHXLRCDLIPGKH-UHFFFAOYSA-N 0 0 408.404 4.207 20 5 HIBDRN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444235505 868684725 /nfs/dbraw/zinc/68/47/25/868684725.db2.gz GKTXAHLXXQDITC-KHIBUBOWSA-N 0 0 424.447 4.037 20 5 HIBDRN O=C(NCc1csc(-c2ccco2)n1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444236563 868685940 /nfs/dbraw/zinc/68/59/40/868685940.db2.gz CHQLHJWQEZXUNJ-UHFFFAOYSA-N 0 0 419.437 4.467 20 5 HIBDRN COc1ccc(OC)c(CCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC000444238227 868687407 /nfs/dbraw/zinc/68/74/07/868687407.db2.gz AHYQVMHDNNZRMT-UHFFFAOYSA-N 0 0 416.477 4.061 20 5 HIBDRN O=C(NCc1nc(C2CC2)cs1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444239077 868687503 /nfs/dbraw/zinc/68/75/03/868687503.db2.gz HBFFPHJAHRBLRS-UHFFFAOYSA-N 0 0 411.433 4.223 20 5 HIBDRN Cc1cnc(CCN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)s1 ZINC000444238032 868687563 /nfs/dbraw/zinc/68/75/63/868687563.db2.gz MPJIFPPKYWMACW-UHFFFAOYSA-N 0 0 413.449 4.039 20 5 HIBDRN 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ZINC000444255957 868702946 /nfs/dbraw/zinc/70/29/46/868702946.db2.gz GQJSZQGIQZJPAD-KRWDZBQOSA-N 0 0 414.849 4.062 20 5 HIBDRN C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1[N+](=O)[O-] ZINC000444285864 868716495 /nfs/dbraw/zinc/71/64/95/868716495.db2.gz HLHBFGZQJIACMQ-NSHDSACASA-N 0 0 423.375 4.359 20 5 HIBDRN Cc1cccc2[nH]c(CNC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)nc21 ZINC000444292565 868722555 /nfs/dbraw/zinc/72/25/55/868722555.db2.gz RSJSAZYUNRVPAC-UHFFFAOYSA-N 0 0 418.403 4.074 20 5 HIBDRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444295669 868724400 /nfs/dbraw/zinc/72/44/00/868724400.db2.gz SXSVKEKZFCVLMI-PSLXWICFSA-N 0 0 404.441 4.326 20 5 HIBDRN C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nc(-c2ccccc2)no1 ZINC000444294206 868724715 /nfs/dbraw/zinc/72/47/15/868724715.db2.gz UVKCHFDGZJBZOW-OAHLLOKOSA-N 0 0 424.460 4.265 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCc2cc(F)ccc2C1 ZINC000444296868 868726787 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ZINC000445214034 869278553 /nfs/dbraw/zinc/27/85/53/869278553.db2.gz OJQTWKHWHHFNNL-UHFFFAOYSA-N 0 0 406.445 4.068 20 5 HIBDRN CC[C@H](C)c1ccc(NC(=O)Cc2noc(CCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000445275958 869323657 /nfs/dbraw/zinc/32/36/57/869323657.db2.gz ZESISLHBKYLAMN-HNNXBMFYSA-N 0 0 408.458 4.458 20 5 HIBDRN CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 ZINC000445277803 869324680 /nfs/dbraw/zinc/32/46/80/869324680.db2.gz WDVAMMKUHCIPCT-ZDUSSCGKSA-N 0 0 410.430 4.348 20 5 HIBDRN Cc1cccc(C)c1NC(=O)Cc1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000445327123 869387372 /nfs/dbraw/zinc/38/73/72/869387372.db2.gz WRXKCECSJQUJOF-UHFFFAOYSA-N 0 0 418.356 4.044 20 5 HIBDRN CCOc1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3C)no2)cc1[N+](=O)[O-] ZINC000445334187 869396029 /nfs/dbraw/zinc/39/60/29/869396029.db2.gz NMUJEUQLUPDLHB-UHFFFAOYSA-N 0 0 416.821 4.187 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc32)n1 ZINC000445341824 869405680 /nfs/dbraw/zinc/40/56/80/869405680.db2.gz LXBNLMAZCUWUMM-UHFFFAOYSA-N 0 0 411.805 4.269 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)Cc1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000445343569 869406445 /nfs/dbraw/zinc/40/64/45/869406445.db2.gz NCNUTGZFFXKUAT-UHFFFAOYSA-N 0 0 418.862 4.413 20 5 HIBDRN O=C(Cc1noc(/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)n1)N1CCCC1 ZINC000445349781 869415319 /nfs/dbraw/zinc/41/53/19/869415319.db2.gz DBKNPXFPLDUZPC-CSKARUKUSA-N 0 0 410.455 4.042 20 5 HIBDRN Cc1ccc(Sc2ccc(-c3nc(CC(=O)N4CCCC4)no3)cc2[N+](=O)[O-])cc1 ZINC000445361602 869426124 /nfs/dbraw/zinc/42/61/24/869426124.db2.gz WBIHGWWGXFEVDU-UHFFFAOYSA-N 0 0 424.482 4.269 20 5 HIBDRN Cc1cc(-c2nc(CC(=O)Nc3ccccc3C(F)(F)F)no2)ccc1[N+](=O)[O-] ZINC000445417325 869499664 /nfs/dbraw/zinc/49/96/64/869499664.db2.gz JYLBQMYTDWEPSL-UHFFFAOYSA-N 0 0 406.320 4.153 20 5 HIBDRN O=[N+]([O-])c1cc(-c2nc(-c3cnn(-c4ccccc4)c3)no2)ccc1N1CCCC1 ZINC000445434026 869519097 /nfs/dbraw/zinc/51/90/97/869519097.db2.gz MQBUDASDBZFGQG-UHFFFAOYSA-N 0 0 402.414 4.098 20 5 HIBDRN Cc1csc(Sc2ccc(-c3nc(-c4ccc(=O)[nH]c4)no3)cc2[N+](=O)[O-])n1 ZINC000445435092 869520116 /nfs/dbraw/zinc/52/01/16/869520116.db2.gz FCMHDNJNWUKQSG-UHFFFAOYSA-N 0 0 413.440 4.329 20 5 HIBDRN Cc1ccc(C(=O)CCC(=O)CCc2nc(-c3ccc([N+](=O)[O-])s3)no2)s1 ZINC000445472473 869546565 /nfs/dbraw/zinc/54/65/65/869546565.db2.gz OLDXSZQNUSTXMJ-UHFFFAOYSA-N 0 0 405.457 4.241 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(CC(=O)N(C)C2CCCCC2)no1 ZINC000445542840 869599491 /nfs/dbraw/zinc/59/94/91/869599491.db2.gz LIBXWYQPNKKXER-CYBMUJFWSA-N 0 0 404.492 4.165 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(/C=C/c3ccc(Br)o3)n2)c1 ZINC000445571060 869630410 /nfs/dbraw/zinc/63/04/10/869630410.db2.gz KNYYCVDBUNWXGR-QPJJXVBHSA-N 0 0 406.192 4.103 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cnn(-c4ccc(Cl)cc4)c3)n2)c1 ZINC000445572725 869632246 /nfs/dbraw/zinc/63/22/46/869632246.db2.gz SWOGNWYRXRUCHN-UHFFFAOYSA-N 0 0 411.805 4.083 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(OC)ccc3Br)n2)c1 ZINC000445575116 869634901 /nfs/dbraw/zinc/63/49/01/869634901.db2.gz PSIOWGPDGMPOTL-UHFFFAOYSA-N 0 0 420.219 4.015 20 5 HIBDRN Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)n1 ZINC000445577813 869637540 /nfs/dbraw/zinc/63/75/40/869637540.db2.gz XJICRZIWARXWGU-QZTJIDSGSA-N 0 0 417.425 4.228 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(CCCc3ncc(-c4ccccc4)o3)n2)c1 ZINC000445581500 869641033 /nfs/dbraw/zinc/64/10/33/869641033.db2.gz CMSAQSQMWGCKGK-UHFFFAOYSA-N 0 0 420.425 4.408 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(OCc4ccncc4)cc3)n2)c1 ZINC000445581107 869641225 /nfs/dbraw/zinc/64/12/25/869641225.db2.gz XXWMCTFMFYSUOD-UHFFFAOYSA-N 0 0 418.409 4.218 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H](C)C(=O)c3ccc(Cl)cc3)n2)c1 ZINC000445583001 869642582 /nfs/dbraw/zinc/64/25/82/869642582.db2.gz LAHLBBITHMNLGN-GFCCVEGCSA-N 0 0 415.833 4.292 20 5 HIBDRN O=c1c2ccccc2n(Cc2nc(CCc3ccc4c(c3)CCO4)no2)c2ccccc21 ZINC000445588392 869649731 /nfs/dbraw/zinc/64/97/31/869649731.db2.gz LNCJGFQZKIAWPC-UHFFFAOYSA-N 0 0 423.472 4.306 20 5 HIBDRN COc1cccc(C(=O)c2ccc(C(=O)N3c4ccc([N+](=O)[O-])cc4C[C@H]3C)cc2)c1 ZINC000445588166 869649801 /nfs/dbraw/zinc/64/98/01/869649801.db2.gz QICDSJTVSOVSDH-OAHLLOKOSA-N 0 0 416.433 4.426 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(Cc3csc(-c4ccc(Cl)s4)n3)n2)n1C ZINC000445601310 869666462 /nfs/dbraw/zinc/66/64/62/869666462.db2.gz QCUXSHBGDQWDFC-UHFFFAOYSA-N 0 0 422.879 4.116 20 5 HIBDRN CC[C@@H](Cc1ccccc1Br)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000445607257 869671601 /nfs/dbraw/zinc/67/16/01/869671601.db2.gz FPJFRNKRZLNYJE-NSHDSACASA-N 0 0 420.267 4.186 20 5 HIBDRN Cc1ccc(Sc2ccc(-c3nc(-c4ccc(=O)n(C)c4)no3)cc2[N+](=O)[O-])cc1 ZINC000445607483 869673098 /nfs/dbraw/zinc/67/30/98/869673098.db2.gz HGFSXGWQCMGPFQ-UHFFFAOYSA-N 0 0 420.450 4.470 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3csc(-c4cccc(Cl)c4)n3)n2)n1C ZINC000445609944 869674912 /nfs/dbraw/zinc/67/49/12/869674912.db2.gz JXLFQROAGVMBFE-UHFFFAOYSA-N 0 0 402.823 4.131 20 5 HIBDRN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C)Oc3ccccc3Cc3ccccc3)n2)n1C ZINC000445615444 869679758 /nfs/dbraw/zinc/67/97/58/869679758.db2.gz HSVXOGOTGBZHJG-CQSZACIVSA-N 0 0 419.441 4.418 20 5 HIBDRN CSc1nnc(-c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)s1 ZINC000445619894 869684929 /nfs/dbraw/zinc/68/49/29/869684929.db2.gz KVCWRMIRHUWPII-UHFFFAOYSA-N 0 0 404.458 4.009 20 5 HIBDRN C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1nc2ccccc2n1C(F)F ZINC000445640314 869711284 /nfs/dbraw/zinc/71/12/84/869711284.db2.gz OFBLWJVHRQZECP-GFCCVEGCSA-N 0 0 415.400 4.169 20 5 HIBDRN CC(C)C(=O)Nc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000445643963 869713834 /nfs/dbraw/zinc/71/38/34/869713834.db2.gz YBFRLFCAVMYFKM-UHFFFAOYSA-N 0 0 420.263 4.133 20 5 HIBDRN Cc1c(Br)cc(-c2nc(-c3cnn(C(C)(C)C)c3)no2)cc1[N+](=O)[O-] ZINC000445645014 869715873 /nfs/dbraw/zinc/71/58/73/869715873.db2.gz LPMIVRBUTATDNF-UHFFFAOYSA-N 0 0 406.240 4.334 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nc(-c2ccccn2)cs1 ZINC000445673428 869742678 /nfs/dbraw/zinc/74/26/78/869742678.db2.gz DJJSIRVUWPTQLD-UHFFFAOYSA-N 0 0 419.260 4.057 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1c(F)cccc1Cl ZINC000445692182 869760501 /nfs/dbraw/zinc/76/05/01/869760501.db2.gz UKFLPIVKKRBBMT-UHFFFAOYSA-N 0 0 401.619 4.009 20 5 HIBDRN Cc1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000445718148 869776802 /nfs/dbraw/zinc/77/68/02/869776802.db2.gz NFFIDUZCSRMVTF-UHFFFAOYSA-N 0 0 408.311 4.499 20 5 HIBDRN C[C@H](c1cc(F)ccc1F)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445739875 869793401 /nfs/dbraw/zinc/79/34/01/869793401.db2.gz LHZMZZUKHJTWKH-SNVBAGLBSA-N 0 0 413.218 4.398 20 5 HIBDRN CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc2ccccc2[nH]1 ZINC000445780082 869820062 /nfs/dbraw/zinc/82/00/62/869820062.db2.gz GVLAPJWSGLTAGY-CQSZACIVSA-N 0 0 417.263 4.044 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC000445787744 869824040 /nfs/dbraw/zinc/82/40/40/869824040.db2.gz SNROFJPHMNBSHD-UHFFFAOYSA-N 0 0 416.437 4.393 20 5 HIBDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000445801570 869830771 /nfs/dbraw/zinc/83/07/71/869830771.db2.gz HIHWHXCBOVSBDO-SNVBAGLBSA-N 0 0 412.309 4.193 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000445811968 869835617 /nfs/dbraw/zinc/83/56/17/869835617.db2.gz UQOQOLWPVWHCFH-UHFFFAOYSA-N 0 0 415.877 4.446 20 5 HIBDRN COc1cc(Cc2noc(COc3cccc(C(C)C)c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445815247 869837618 /nfs/dbraw/zinc/83/76/18/869837618.db2.gz IIIYBHFNBHVDCB-UHFFFAOYSA-N 0 0 413.430 4.288 20 5 HIBDRN COc1ccc(/C(C)=C/c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)cc1 ZINC000445817545 869839675 /nfs/dbraw/zinc/83/96/75/869839675.db2.gz FLVSIBXJPKPLNK-UKTHLTGXSA-N 0 0 411.414 4.155 20 5 HIBDRN COc1ccc(/C(C)=C\c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)cc1 ZINC000445817544 869839998 /nfs/dbraw/zinc/83/99/98/869839998.db2.gz FLVSIBXJPKPLNK-LCYFTJDESA-N 0 0 411.414 4.155 20 5 HIBDRN COc1cc(Cc2noc(COc3ccc(Cl)c(C)c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445820391 869843173 /nfs/dbraw/zinc/84/31/73/869843173.db2.gz UQPVTHAJSPRKCV-UHFFFAOYSA-N 0 0 419.821 4.127 20 5 HIBDRN COc1cc(Cc2noc(-c3cncc(-c4ccccc4)c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445822000 869844556 /nfs/dbraw/zinc/84/45/56/869844556.db2.gz NYERBRGGIYFBCA-UHFFFAOYSA-N 0 0 418.409 4.315 20 5 HIBDRN COc1cc(Cc2noc(-c3cc4ccc(Cl)cc4[nH]3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445822184 869844715 /nfs/dbraw/zinc/84/47/15/869844715.db2.gz PCOZPGLJNYQQPE-UHFFFAOYSA-N 0 0 414.805 4.388 20 5 HIBDRN COc1ccc(C2(c3noc(-c4cc([N+](=O)[O-])cnc4C)n3)CCCC2)cc1OC ZINC000445854448 869859322 /nfs/dbraw/zinc/85/93/22/869859322.db2.gz UQJCBAYODGLMDO-UHFFFAOYSA-N 0 0 410.430 4.226 20 5 HIBDRN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000445943356 869902581 /nfs/dbraw/zinc/90/25/81/869902581.db2.gz IJOSWIGMFANCFP-GFCCVEGCSA-N 0 0 400.822 4.108 20 5 HIBDRN COc1ccc(N2C(=O)[C@@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)cc1[N+](=O)[O-] ZINC000445992263 869954876 /nfs/dbraw/zinc/95/48/76/869954876.db2.gz PBWNSOXRTJTNPJ-OAHLLOKOSA-N 0 0 410.213 4.050 20 5 HIBDRN COc1nc(C)c(Br)cc1-c1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000446002202 869965615 /nfs/dbraw/zinc/96/56/15/869965615.db2.gz NQAZZHRBJDMWBR-YVMONPNESA-N 0 0 417.219 4.290 20 5 HIBDRN CC(C)(C)c1ccc(-c2nc(Cc3nncn3-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000446022366 869989047 /nfs/dbraw/zinc/98/90/47/869989047.db2.gz ZOYXDHWXAWQIIL-UHFFFAOYSA-N 0 0 404.430 4.114 20 5 HIBDRN C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](c2ccco2)C1 ZINC000446103101 870050812 /nfs/dbraw/zinc/05/08/12/870050812.db2.gz BMBMRTAQZVLXTD-WBMJQRKESA-N 0 0 407.264 4.493 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC000446108497 870055550 /nfs/dbraw/zinc/05/55/50/870055550.db2.gz OAKKUEXPEIOMCO-UHFFFAOYSA-N 0 0 408.311 4.323 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000446132503 870077250 /nfs/dbraw/zinc/07/72/50/870077250.db2.gz RWPZMBLGRALSAP-QGZVFWFLSA-N 0 0 424.432 4.123 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000446146957 870088133 /nfs/dbraw/zinc/08/81/33/870088133.db2.gz MQUNKCYZVKBNEW-IBGZPJMESA-N 0 0 406.442 4.331 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H](CO)Cc1ccccc1 ZINC000446158156 870097880 /nfs/dbraw/zinc/09/78/80/870097880.db2.gz OKDSGPZAWDMVIG-SFHVURJKSA-N 0 0 407.426 4.112 20 5 HIBDRN CCNc1ccc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000446248622 870190523 /nfs/dbraw/zinc/19/05/23/870190523.db2.gz LWXAPXWDUVZBDA-DJJJIMSYSA-N 0 0 403.866 4.282 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)CCC(=O)OC(C)(C)C ZINC000446250001 870192210 /nfs/dbraw/zinc/19/22/10/870192210.db2.gz RRXXAXDJGFAIDH-GFCCVEGCSA-N 0 0 414.886 4.032 20 5 HIBDRN CCOC(=O)[C@@H]1CCN(C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000446251199 870194002 /nfs/dbraw/zinc/19/40/02/870194002.db2.gz ZTOUUSBHQQJRFL-FXAWDEMLSA-N 0 0 410.470 4.247 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NCC(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-] ZINC000468441954 882381938 /nfs/dbraw/zinc/38/19/38/882381938.db2.gz ADCNDRIUGOWNRX-UHFFFAOYSA-N 0 0 406.486 4.273 20 5 HIBDRN CC[C@H]1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000446323266 870241965 /nfs/dbraw/zinc/24/19/65/870241965.db2.gz GZFPKVJBSNDIOU-KRWDZBQOSA-N 0 0 404.470 4.249 20 5 HIBDRN Cc1cnc(C2CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)CC2)s1 ZINC000446343630 870253879 /nfs/dbraw/zinc/25/38/79/870253879.db2.gz WWRCYBFLRFNCPU-UHFFFAOYSA-N 0 0 403.507 4.466 20 5 HIBDRN Cn1ncc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1C(F)(F)F ZINC000446362782 870272920 /nfs/dbraw/zinc/27/29/20/870272920.db2.gz KMSBQRXGRKMLCZ-UHFFFAOYSA-N 0 0 405.336 4.343 20 5 HIBDRN Cn1ncc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1C(F)(F)F ZINC000446372481 870282945 /nfs/dbraw/zinc/28/29/45/870282945.db2.gz KCNKMADWZCTIDF-UHFFFAOYSA-N 0 0 419.363 4.212 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C)cc2OC(C)C)cc1OC ZINC000446406746 870310604 /nfs/dbraw/zinc/31/06/04/870310604.db2.gz RREFJOYNBORXSY-UHFFFAOYSA-N 0 0 402.447 4.028 20 5 HIBDRN COc1ccc(CNC(=O)Nc2cc3c(cc2Br)CCC3)cc1[N+](=O)[O-] ZINC000446420482 870332691 /nfs/dbraw/zinc/33/26/91/870332691.db2.gz JGHIGVOCJQFLFK-UHFFFAOYSA-N 0 0 420.263 4.176 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000446422614 870336053 /nfs/dbraw/zinc/33/60/53/870336053.db2.gz LPDRNMOQSHMZRP-FQEVSTJZSA-N 0 0 424.888 4.469 20 5 HIBDRN COc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000446424215 870337121 /nfs/dbraw/zinc/33/71/21/870337121.db2.gz BOXUJOJLTJBDPD-UHFFFAOYSA-N 0 0 408.410 4.200 20 5 HIBDRN O=C(c1cnc2ccccc2c1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446424761 870339069 /nfs/dbraw/zinc/33/90/69/870339069.db2.gz NGSAEQLEZLIGAI-UHFFFAOYSA-N 0 0 401.344 4.360 20 5 HIBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])[C@@H]1CC(=O)Nc2ccccc21 ZINC000446435721 870355161 /nfs/dbraw/zinc/35/51/61/870355161.db2.gz DNYNTVWNMJVNTL-GOSISDBHSA-N 0 0 417.421 4.238 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1C)O[C@H](C)C2 ZINC000446483430 870396465 /nfs/dbraw/zinc/39/64/65/870396465.db2.gz BUQYAEMHVMFHDA-AZOIQLNYSA-N 0 0 411.458 4.303 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000446496239 870413065 /nfs/dbraw/zinc/41/30/65/870413065.db2.gz QVDVWFWXXZPFBO-OAHLLOKOSA-N 0 0 402.882 4.467 20 5 HIBDRN Cn1cc(NC(=O)c2cc3ccccc3c3cccnc23)cc(Br)c1=O ZINC000446497515 870414745 /nfs/dbraw/zinc/41/47/45/870414745.db2.gz XTWZPEYIZORWAV-UHFFFAOYSA-N 0 0 408.255 4.102 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2C(=O)CNc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000446621488 870522987 /nfs/dbraw/zinc/52/29/87/870522987.db2.gz WOAKLPRCLNIJPC-HXUWFJFHSA-N 0 0 413.474 4.168 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)ccc1[N+](=O)[O-] ZINC000446622801 870525758 /nfs/dbraw/zinc/52/57/58/870525758.db2.gz FZHAOUGFBQJIBV-NRFANRHFSA-N 0 0 417.465 4.091 20 5 HIBDRN Cc1ccn2c(c1)nnc2NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000446635594 870542406 /nfs/dbraw/zinc/54/24/06/870542406.db2.gz XPIIRFLQKYTOFF-UHFFFAOYSA-N 0 0 405.439 4.349 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000446718394 870632220 /nfs/dbraw/zinc/63/22/20/870632220.db2.gz ZBAGDQXSNDAFJV-MRXNPFEDSA-N 0 0 422.441 4.076 20 5 HIBDRN O=[N+]([O-])c1ccc2c(c1)CN(Cc1nc(-c3cccc(C(F)(F)F)c3)no1)CC2 ZINC000446739355 870647719 /nfs/dbraw/zinc/64/77/19/870647719.db2.gz TXGFISSEYVAUKC-UHFFFAOYSA-N 0 0 404.348 4.222 20 5 HIBDRN CSc1cc(Br)ccc1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446833488 870749578 /nfs/dbraw/zinc/74/95/78/870749578.db2.gz SODQUYUWHFXVCP-UHFFFAOYSA-N 0 0 407.293 4.245 20 5 HIBDRN CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000446843301 870762008 /nfs/dbraw/zinc/76/20/08/870762008.db2.gz MEDBDPOCQUYIGK-UHFFFAOYSA-N 0 0 424.501 4.447 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(Cl)cc1I ZINC000446844824 870763047 /nfs/dbraw/zinc/76/30/47/870763047.db2.gz JJHYJSBTDDSUIO-UHFFFAOYSA-N 0 0 416.646 4.451 20 5 HIBDRN CCc1oc2ccccc2c1CN(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446897123 870816025 /nfs/dbraw/zinc/81/60/25/870816025.db2.gz VWUCROBWVCBJNR-UHFFFAOYSA-N 0 0 407.430 4.121 20 5 HIBDRN Cc1cccc(CN(Cc2ccco2)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446903633 870821584 /nfs/dbraw/zinc/82/15/84/870821584.db2.gz BRBDOUWKJTZEOL-UHFFFAOYSA-N 0 0 419.441 4.285 20 5 HIBDRN CCc1ccc([C@H]2CCCCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000446904065 870822946 /nfs/dbraw/zinc/82/29/46/870822946.db2.gz HRIRASCYQUZJAH-GOSISDBHSA-N 0 0 411.462 4.453 20 5 HIBDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000446924985 870837768 /nfs/dbraw/zinc/83/77/68/870837768.db2.gz KXMQESBCIDTVQU-OAHLLOKOSA-N 0 0 410.474 4.022 20 5 HIBDRN O=C(NC1CCCCC1)c1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000446930187 870842669 /nfs/dbraw/zinc/84/26/69/870842669.db2.gz UTZBXVZCMVCWTA-UHFFFAOYSA-N 0 0 422.485 4.248 20 5 HIBDRN C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446946075 870853872 /nfs/dbraw/zinc/85/38/72/870853872.db2.gz MZXQTOXUVWPIAO-SECBINFHSA-N 0 0 424.347 4.274 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCSc3ccccc32)c(C(F)(F)F)c1 ZINC000446948691 870856935 /nfs/dbraw/zinc/85/69/35/870856935.db2.gz PZOQAJHMCSLRSB-CYBMUJFWSA-N 0 0 418.418 4.129 20 5 HIBDRN CCCc1c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cnn1-c1cccc(C)c1 ZINC000446979784 870876531 /nfs/dbraw/zinc/87/65/31/870876531.db2.gz FRCFLZSXHRRGNS-UHFFFAOYSA-N 0 0 408.414 4.022 20 5 HIBDRN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000446982410 870877047 /nfs/dbraw/zinc/87/70/47/870877047.db2.gz YOMMOCXJPDJSCZ-UHFFFAOYSA-N 0 0 409.352 4.074 20 5 HIBDRN C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](c2ccco2)C1 ZINC000447015521 870893024 /nfs/dbraw/zinc/89/30/24/870893024.db2.gz XSXMUNOWYBBMOD-SMDDNHRTSA-N 0 0 418.393 4.369 20 5 HIBDRN C[C@@H]1[C@@H](c2ccccc2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447016215 870894269 /nfs/dbraw/zinc/89/42/69/870894269.db2.gz IJFOYDRYUNRAKY-DOMZBBRYSA-N 0 0 414.405 4.180 20 5 HIBDRN COC(=O)c1cccc(OCc2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)c1 ZINC000447016589 870894515 /nfs/dbraw/zinc/89/45/15/870894515.db2.gz KDRPKQJYNICOSE-UHFFFAOYSA-N 0 0 423.303 4.029 20 5 HIBDRN CC(C)N(Cc1cccc(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447029565 870905632 /nfs/dbraw/zinc/90/56/32/870905632.db2.gz RRCNHIQGXZUEMZ-UHFFFAOYSA-N 0 0 420.384 4.352 20 5 HIBDRN CN(Cc1cc2ccccc2o1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447042341 870918885 /nfs/dbraw/zinc/91/88/85/870918885.db2.gz ZRRMKMWLNHVRAU-UHFFFAOYSA-N 0 0 414.361 4.181 20 5 HIBDRN O=C(N[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1)c1ccc2ccccc2c1 ZINC000447205057 871094945 /nfs/dbraw/zinc/09/49/45/871094945.db2.gz WZRXDSWZKSIRFO-QGZVFWFLSA-N 0 0 410.861 4.195 20 5 HIBDRN O=C(NCc1cccnc1Oc1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447245853 871127662 /nfs/dbraw/zinc/12/76/62/871127662.db2.gz GIGRNFVVLRBHON-UHFFFAOYSA-N 0 0 422.416 4.189 20 5 HIBDRN Cc1c(NC(=O)C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)cccc1[N+](=O)[O-] ZINC000447279303 871173798 /nfs/dbraw/zinc/17/37/98/871173798.db2.gz GSXBKWPWDTUFDY-UHFFFAOYSA-N 0 0 421.375 4.056 20 5 HIBDRN CC(C)[C@@H](Sc1ccc(Br)cc1[N+](=O)[O-])C(=O)NCc1cccnc1 ZINC000447346621 871248302 /nfs/dbraw/zinc/24/83/02/871248302.db2.gz GCRZJHBIZMRNJO-MRXNPFEDSA-N 0 0 424.320 4.185 20 5 HIBDRN O=C(N[C@H]1CCc2c1cccc2Br)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447379124 871285118 /nfs/dbraw/zinc/28/51/18/871285118.db2.gz BIEGZIMBSFAHBC-SFHVURJKSA-N 0 0 416.275 4.113 20 5 HIBDRN COc1cc(CN2CCN(c3cccc4cnccc43)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000447386815 871295535 /nfs/dbraw/zinc/29/55/35/871295535.db2.gz RPUNGGMHGDOLBI-HNNXBMFYSA-N 0 0 410.449 4.001 20 5 HIBDRN CCNC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1C ZINC000447650695 871575240 /nfs/dbraw/zinc/57/52/40/871575240.db2.gz AUKWAOLCYPDCTM-UHFFFAOYSA-N 0 0 421.251 4.059 20 5 HIBDRN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000447651954 871578823 /nfs/dbraw/zinc/57/88/23/871578823.db2.gz JLLDWHGPCCZBAI-UHFFFAOYSA-N 0 0 413.384 4.100 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000447673818 871606391 /nfs/dbraw/zinc/60/63/91/871606391.db2.gz WHIZTLBCJITQSB-NSHDSACASA-N 0 0 423.313 4.046 20 5 HIBDRN COC(=O)Cc1cccc(Oc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC000447676716 871609253 /nfs/dbraw/zinc/60/92/53/871609253.db2.gz CYAOMXMDZMDJNC-UHFFFAOYSA-N 0 0 406.263 4.152 20 5 HIBDRN CCc1cc(N2CCC(Oc3ncccc3F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000447689534 871623856 /nfs/dbraw/zinc/62/38/56/871623856.db2.gz QIXSZQRCJZWDON-UHFFFAOYSA-N 0 0 423.448 4.196 20 5 HIBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCO[C@@H](C2CCCCC2)C1 ZINC000447692365 871627348 /nfs/dbraw/zinc/62/73/48/871627348.db2.gz DRHFXCIJYCDAHQ-CQSZACIVSA-N 0 0 409.355 4.429 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000447724113 871667508 /nfs/dbraw/zinc/66/75/08/871667508.db2.gz TZWWFZMYAOLBJW-INIZCTEOSA-N 0 0 420.746 4.418 20 5 HIBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1nnc(-c2ccccc2)s1 ZINC000447815649 871745398 /nfs/dbraw/zinc/74/53/98/871745398.db2.gz FIUONJQHNSIZGU-UHFFFAOYSA-N 0 0 404.835 4.165 20 5 HIBDRN CCOc1cc(NCc2nc(-c3cccc(Br)c3)no2)ccc1[N+](=O)[O-] ZINC000447819059 871748465 /nfs/dbraw/zinc/74/84/65/871748465.db2.gz WGWIVDHUJLJAGR-UHFFFAOYSA-N 0 0 419.235 4.418 20 5 HIBDRN CO[C@@H]1CCOc2c(NC(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000448038042 871870587 /nfs/dbraw/zinc/87/05/87/871870587.db2.gz HXASJKLBISKVFN-QGZVFWFLSA-N 0 0 405.838 4.082 20 5 HIBDRN O=[N+]([O-])c1cnn(CCSCc2coc(-c3ccc(Br)cc3)n2)c1 ZINC000448071877 871894403 /nfs/dbraw/zinc/89/44/03/871894403.db2.gz YJRWAIMGIMDXIJ-UHFFFAOYSA-N 0 0 409.265 4.142 20 5 HIBDRN C[C@H]1C(=O)N(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C(=O)N1c1ccc(F)cc1 ZINC000448096772 871938267 /nfs/dbraw/zinc/93/82/67/871938267.db2.gz JHWBKIOPYPXBTK-JTQLQIEISA-N 0 0 411.311 4.110 20 5 HIBDRN CCOC(=O)[C@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)Cc2ccccc21 ZINC000448101301 871945338 /nfs/dbraw/zinc/94/53/38/871945338.db2.gz BOKGVACNLCFBEG-FQEVSTJZSA-N 0 0 418.453 4.027 20 5 HIBDRN COc1ccc([C@H]2CCCCCN2C(=O)CSc2ccc([N+](=O)[O-])cn2)cc1 ZINC000448103497 871947171 /nfs/dbraw/zinc/94/71/71/871947171.db2.gz TZEDUSBZCAZMAF-GOSISDBHSA-N 0 0 401.488 4.234 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000448183047 872059047 /nfs/dbraw/zinc/05/90/47/872059047.db2.gz ZFRGYJKVSFXWOC-UHFFFAOYSA-N 0 0 406.891 4.410 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)c1 ZINC000448189485 872069869 /nfs/dbraw/zinc/06/98/69/872069869.db2.gz MFVCZMJBLUUFSS-CQSZACIVSA-N 0 0 410.499 4.172 20 5 HIBDRN Cc1cc(C[C@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000448188806 872070276 /nfs/dbraw/zinc/07/02/76/872070276.db2.gz CSZPBKDOUIXVHJ-RDJZCZTQSA-N 0 0 424.526 4.317 20 5 HIBDRN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCOC2(CCCCC2)C1 ZINC000468541949 882579840 /nfs/dbraw/zinc/57/98/40/882579840.db2.gz MEZYEQAIXSFBAJ-UHFFFAOYSA-N 0 0 412.436 4.135 20 5 HIBDRN CSc1cc2c(cc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)OCCO2 ZINC000448212346 872113136 /nfs/dbraw/zinc/11/31/36/872113136.db2.gz HRHPQBCVFVGUCI-UHFFFAOYSA-N 0 0 414.361 4.359 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000468550378 882591340 /nfs/dbraw/zinc/59/13/40/882591340.db2.gz ZMCRCLSEFGSXGY-UHFFFAOYSA-N 0 0 416.480 4.358 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N(c2cnc3ccccc3c2)C(C)C)cc([N+](=O)[O-])c1 ZINC000448458769 872413699 /nfs/dbraw/zinc/41/36/99/872413699.db2.gz ILHHCHIRTNDNQQ-UHFFFAOYSA-N 0 0 407.426 4.375 20 5 HIBDRN COc1cc2c(cc1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)O[C@H](C)C2 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JKUUFOIPLFFLTE-ZDUSSCGKSA-N 0 0 401.488 4.201 20 5 HIBDRN CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000460271338 872861291 /nfs/dbraw/zinc/86/12/91/872861291.db2.gz YDKWJDFVKKAVJP-OALUTQOASA-N 0 0 413.522 4.294 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000460284493 872873320 /nfs/dbraw/zinc/87/33/20/872873320.db2.gz QMLBECPPVBHWEF-KRWDZBQOSA-N 0 0 413.503 4.120 20 5 HIBDRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000460284292 872873416 /nfs/dbraw/zinc/87/34/16/872873416.db2.gz WOAAVKXLRYJEPC-UHFFFAOYSA-N 0 0 407.264 4.207 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000460307351 872895019 /nfs/dbraw/zinc/89/50/19/872895019.db2.gz PUNAFEVMTQTJOZ-IBGZPJMESA-N 0 0 423.473 4.232 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC=C(c2cccc(OC)c2)CC1 ZINC000460320776 872911952 /nfs/dbraw/zinc/91/19/52/872911952.db2.gz YZMCEOWZJDARKD-UHFFFAOYSA-N 0 0 405.458 4.176 20 5 HIBDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000460332179 872939332 /nfs/dbraw/zinc/93/93/32/872939332.db2.gz CVYAUVMGIVTZTR-CQSZACIVSA-N 0 0 408.483 4.451 20 5 HIBDRN Cc1cc(OC(F)F)c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000460348976 872968020 /nfs/dbraw/zinc/96/80/20/872968020.db2.gz GHQWOCHAZUXFEN-HNNXBMFYSA-N 0 0 400.428 4.454 20 5 HIBDRN O=C(Cc1coc(-c2cccs2)n1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460352319 872972937 /nfs/dbraw/zinc/97/29/37/872972937.db2.gz YGCSJKOAPZCLOF-SFHVURJKSA-N 0 0 401.469 4.128 20 5 HIBDRN O=C(c1ccn(-c2cccc(Cl)c2)n1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000460351469 872973806 /nfs/dbraw/zinc/97/38/06/872973806.db2.gz MERQDJAMINIUAJ-LJQANCHMSA-N 0 0 414.874 4.322 20 5 HIBDRN CC(C)(C)n1nc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C1CC1 ZINC000460353293 872975954 /nfs/dbraw/zinc/97/59/54/872975954.db2.gz GDMVMNULYLVCHX-IBGZPJMESA-N 0 0 400.504 4.312 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c(F)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 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0 0 400.431 4.148 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H](n4cccn4)C3)cc2[N+](=O)[O-])cc1 ZINC000462422171 875528621 /nfs/dbraw/zinc/52/86/21/875528621.db2.gz MUOOSEBHXCUGLN-QGZVFWFLSA-N 0 0 408.483 4.338 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000462436124 875540483 /nfs/dbraw/zinc/54/04/83/875540483.db2.gz KWDXBQOLGIHRPT-AWEZNQCLSA-N 0 0 403.866 4.157 20 5 HIBDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000462434093 875541118 /nfs/dbraw/zinc/54/11/18/875541118.db2.gz ZSSAGTBWQBLSJN-VQIMIIECSA-N 0 0 411.502 4.008 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000462450106 875556322 /nfs/dbraw/zinc/55/63/22/875556322.db2.gz BHNGRQQEFDZIJI-AWEZNQCLSA-N 0 0 415.298 4.297 20 5 HIBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000462471720 875577641 /nfs/dbraw/zinc/57/76/41/875577641.db2.gz GIKROEBAERNPLO-UHFFFAOYSA-N 0 0 419.261 4.394 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000462479129 875585634 /nfs/dbraw/zinc/58/56/34/875585634.db2.gz FOTOMUUOGUSHIU-HNNXBMFYSA-N 0 0 405.458 4.465 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000462479187 875586780 /nfs/dbraw/zinc/58/67/80/875586780.db2.gz FZCHZMTULYSKEA-LPHOPBHVSA-N 0 0 416.449 4.499 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2nnc(-c3ccccc3)s2)nc1OCc1ccccc1 ZINC000462481395 875590550 /nfs/dbraw/zinc/59/05/50/875590550.db2.gz XGUVYZQUTWWLEJ-UHFFFAOYSA-N 0 0 419.466 4.699 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)c1ccc(OC)c(OC)c1 ZINC000462489497 875599602 /nfs/dbraw/zinc/59/96/02/875599602.db2.gz NXNXJFWVADHRRE-KRWDZBQOSA-N 0 0 414.502 4.275 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1OCC(F)(F)F ZINC000462491262 875602506 /nfs/dbraw/zinc/60/25/06/875602506.db2.gz CXHDSASUCDZQAS-OAHLLOKOSA-N 0 0 410.392 4.421 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)Nc1cccc2ccccc21 ZINC000462491147 875602620 /nfs/dbraw/zinc/60/26/20/875602620.db2.gz QYCYJJAAWBCJDW-QGZVFWFLSA-N 0 0 405.454 4.072 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000462494123 875605900 /nfs/dbraw/zinc/60/59/00/875605900.db2.gz KIWLMMHPHYYAIH-VQIMIIECSA-N 0 0 423.473 4.122 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000462506463 875622869 /nfs/dbraw/zinc/62/28/69/875622869.db2.gz FDFZTKBBCGSMLM-OAHLLOKOSA-N 0 0 405.458 4.465 20 5 HIBDRN Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000462567795 875694383 /nfs/dbraw/zinc/69/43/83/875694383.db2.gz BURKGTGRBDIIEO-HUUCEWRRSA-N 0 0 413.380 4.217 20 5 HIBDRN Cc1cc(NC(=O)c2cn(C)nc2-c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2n1 ZINC000462595702 875711262 /nfs/dbraw/zinc/71/12/62/875711262.db2.gz PAICNZUEUSEUBR-UHFFFAOYSA-N 0 0 421.844 4.180 20 5 HIBDRN CCc1cc(NC(=O)c2cnc(-c3ccccc3)nc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000462604804 875717815 /nfs/dbraw/zinc/71/78/15/875717815.db2.gz LUOHQXKSURSXEI-UHFFFAOYSA-N 0 0 413.437 4.145 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)Cc1cc(C)nn1-c1ccccc1 ZINC000462608502 875720818 /nfs/dbraw/zinc/72/08/18/875720818.db2.gz XUXRUVSQOPNKOX-PXNSSMCTSA-N 0 0 420.513 4.405 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000462608769 875721741 /nfs/dbraw/zinc/72/17/41/875721741.db2.gz AXNVGNZOZZDXPW-YSGRDPCXSA-N 0 0 402.878 4.463 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000462613112 875725105 /nfs/dbraw/zinc/72/51/05/875725105.db2.gz DIXIHKYRPBBFKH-YJBOKZPZSA-N 0 0 408.458 4.015 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000462615276 875728438 /nfs/dbraw/zinc/72/84/38/875728438.db2.gz KVWTUBBPMSYQOI-ZBFHGGJFSA-N 0 0 424.457 4.100 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000462616178 875728463 /nfs/dbraw/zinc/72/84/63/875728463.db2.gz JJCZYWDZMKJSKF-KRWDZBQOSA-N 0 0 400.450 4.373 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000462619152 875731367 /nfs/dbraw/zinc/73/13/67/875731367.db2.gz NDBIEDSMJIZEPA-PBEJRMEISA-N 0 0 400.450 4.339 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cn2nc(C)nc2C)c1 ZINC000462622489 875734869 /nfs/dbraw/zinc/73/48/69/875734869.db2.gz RBUZJVWNPRCZPT-LJQANCHMSA-N 0 0 407.474 4.059 20 5 HIBDRN CCCC[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000462745077 875813859 /nfs/dbraw/zinc/81/38/59/875813859.db2.gz MYKSKXYEWRGQSJ-LBPRGKRZSA-N 0 0 404.385 4.244 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000462760557 875824412 /nfs/dbraw/zinc/82/44/12/875824412.db2.gz JUCDGWDQVHHBFH-GQWLDOHISA-N 0 0 417.456 4.003 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000462760559 875824762 /nfs/dbraw/zinc/82/47/62/875824762.db2.gz JUCDGWDQVHHBFH-IPHXSNPTSA-N 0 0 417.456 4.003 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000462774084 875831629 /nfs/dbraw/zinc/83/16/29/875831629.db2.gz AWPPGYGTZPMZDI-RDJZCZTQSA-N 0 0 408.458 4.133 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000462778223 875834561 /nfs/dbraw/zinc/83/45/61/875834561.db2.gz KJBLKQBSUCVJRG-YLJYHZDGSA-N 0 0 419.485 4.312 20 5 HIBDRN CNc1c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cccc1[N+](=O)[O-] ZINC000462776739 875834595 /nfs/dbraw/zinc/83/45/95/875834595.db2.gz FBDFEWLWYZOOGY-JTQLQIEISA-N 0 0 414.409 4.132 20 5 HIBDRN COc1cc(NC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000462780177 875835995 /nfs/dbraw/zinc/83/59/95/875835995.db2.gz PTURNVJNZCWMGU-FZKQIMNGSA-N 0 0 423.872 4.270 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCCO)Cc1cccc(Cl)c1 ZINC000462780508 875836034 /nfs/dbraw/zinc/83/60/34/875836034.db2.gz XHMHDSIADMNNCC-GOSISDBHSA-N 0 0 404.894 4.228 20 5 HIBDRN C[C@H]1C[C@H](c2ccccc2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000462788174 875840522 /nfs/dbraw/zinc/84/05/22/875840522.db2.gz FICJDYOPDCKARG-DOTOQJQBSA-N 0 0 411.483 4.100 20 5 HIBDRN COc1cc(N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)ccc1[N+](=O)[O-] ZINC000462808020 875854805 /nfs/dbraw/zinc/85/48/05/875854805.db2.gz ZNBISTVFHSSJKW-IBGZPJMESA-N 0 0 401.850 4.209 20 5 HIBDRN COc1ccc(C[C@H]2CCCN(c3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])C2)cc1 ZINC000462888533 875915240 /nfs/dbraw/zinc/91/52/40/875915240.db2.gz OQCHHNNXXXVCLD-GOSISDBHSA-N 0 0 411.502 4.201 20 5 HIBDRN CNc1c(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000462910237 875935514 /nfs/dbraw/zinc/93/55/14/875935514.db2.gz HQPAJNLLIPVFLR-OAHLLOKOSA-N 0 0 418.453 4.380 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC000462911100 875936829 /nfs/dbraw/zinc/93/68/29/875936829.db2.gz FJMLCIQIROKZEM-HCLVMJGWSA-N 0 0 423.513 4.481 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)cc2[N+](=O)[O-])CC1 ZINC000462914896 875941914 /nfs/dbraw/zinc/94/19/14/875941914.db2.gz RNYMNEIQVCCBLW-NZQKXSOJSA-N 0 0 423.513 4.481 20 5 HIBDRN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462921017 875948634 /nfs/dbraw/zinc/94/86/34/875948634.db2.gz CEWKQJSDEJYGNM-LPHOPBHVSA-N 0 0 409.467 4.368 20 5 HIBDRN CNc1c(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cccc1[N+](=O)[O-] ZINC000462925948 875955641 /nfs/dbraw/zinc/95/56/41/875955641.db2.gz NWBSGFKYLCWBPB-HNNXBMFYSA-N 0 0 406.442 4.102 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000462927885 875957026 /nfs/dbraw/zinc/95/70/26/875957026.db2.gz TWHFSTSORRALNL-LJQANCHMSA-N 0 0 424.501 4.108 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000462932153 875960403 /nfs/dbraw/zinc/96/04/03/875960403.db2.gz JTVBDTZYXKYDGY-OXJNMPFZSA-N 0 0 402.878 4.417 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000462989846 876003948 /nfs/dbraw/zinc/00/39/48/876003948.db2.gz LVQJEBXGEJURMF-IEBWSBKVSA-N 0 0 412.461 4.424 20 5 HIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000462997240 876011535 /nfs/dbraw/zinc/01/15/35/876011535.db2.gz UBBKLLCWVYLKLL-MRXNPFEDSA-N 0 0 411.433 4.317 20 5 HIBDRN CCCN1C(=O)C2(CCCCC2)N[C@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000463032175 876053101 /nfs/dbraw/zinc/05/31/01/876053101.db2.gz XPBRRGPUXAVBIG-QGZVFWFLSA-N 0 0 400.504 4.262 20 5 HIBDRN C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000463033744 876055407 /nfs/dbraw/zinc/05/54/07/876055407.db2.gz LRONGQUCHTUTER-LBPRGKRZSA-N 0 0 413.421 4.194 20 5 HIBDRN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000463061078 876090102 /nfs/dbraw/zinc/09/01/02/876090102.db2.gz FDGLJTFFFASMQK-NRJQMVOHSA-N 0 0 420.469 4.044 20 5 HIBDRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cnnc(-c2ccccc2)c1 ZINC000463067919 876097147 /nfs/dbraw/zinc/09/71/47/876097147.db2.gz DYBLROSNFVYWFU-UHFFFAOYSA-N 0 0 403.423 4.428 20 5 HIBDRN Cc1cc(N2CC[C@@H](COCc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463074652 876106200 /nfs/dbraw/zinc/10/62/00/876106200.db2.gz UBOSWTQLVZRQAD-LJQANCHMSA-N 0 0 404.470 4.403 20 5 HIBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(OCc2ccccc2)CC1 ZINC000463087504 876119216 /nfs/dbraw/zinc/11/92/16/876119216.db2.gz AIFLYAMFMQOFTF-UHFFFAOYSA-N 0 0 408.376 4.435 20 5 HIBDRN O=C(NCc1ccc(OC2CCCC2)nc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463113737 876153073 /nfs/dbraw/zinc/15/30/73/876153073.db2.gz CLVVTJLMLRBKLV-UHFFFAOYSA-N 0 0 409.364 4.260 20 5 HIBDRN CC(C)c1nccn1Cc1cccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000463117464 876158446 /nfs/dbraw/zinc/15/84/46/876158446.db2.gz SNTXCBKPDSBOIN-UHFFFAOYSA-N 0 0 407.474 4.038 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1cccc(OCc2cccnc2)c1 ZINC000463135459 876182698 /nfs/dbraw/zinc/18/26/98/876182698.db2.gz XWUZBSMSEABRQB-UHFFFAOYSA-N 0 0 400.394 4.369 20 5 HIBDRN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000463135084 876182989 /nfs/dbraw/zinc/18/29/89/876182989.db2.gz TVTPMZTYJZQEBW-UHFFFAOYSA-N 0 0 421.438 4.476 20 5 HIBDRN CN(C)C(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000463160210 876213699 /nfs/dbraw/zinc/21/36/99/876213699.db2.gz DHDQDYISONHXLT-UHFFFAOYSA-N 0 0 415.755 4.221 20 5 HIBDRN O=C(Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000463160533 876215282 /nfs/dbraw/zinc/21/52/82/876215282.db2.gz FTUJDOJRUOFQRE-UHFFFAOYSA-N 0 0 417.212 4.420 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ncsc3Cl)no2)ccc1[N+](=O)[O-] ZINC000463182364 876239788 /nfs/dbraw/zinc/23/97/88/876239788.db2.gz FBKIFRLGWUQLNF-LBPRGKRZSA-N 0 0 419.850 4.040 20 5 HIBDRN COc1cc(-c2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)no2)ccc1[N+](=O)[O-] ZINC000463185867 876243106 /nfs/dbraw/zinc/24/31/06/876243106.db2.gz RCSJSJGZDHJLTN-UHFFFAOYSA-N 0 0 420.410 4.320 20 5 HIBDRN O=C(NCc1cc(F)cc(Br)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463191411 876249876 /nfs/dbraw/zinc/24/98/76/876249876.db2.gz PCGPBHGFWOLTJO-UHFFFAOYSA-N 0 0 421.144 4.445 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cccc4c3CC(=O)CC4)n2)cc1[N+](=O)[O-] ZINC000463246934 876304362 /nfs/dbraw/zinc/30/43/62/876304362.db2.gz KOCUASGFCFLNTG-UHFFFAOYSA-N 0 0 407.451 4.337 20 5 HIBDRN CC(C)(CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000468950322 883016012 /nfs/dbraw/zinc/01/60/12/883016012.db2.gz MCFWFLBBZIYGJU-UHFFFAOYSA-N 0 0 416.421 4.011 20 5 HIBDRN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463265354 876323069 /nfs/dbraw/zinc/32/30/69/876323069.db2.gz JIWCSULILFCJHA-UHFFFAOYSA-N 0 0 421.375 4.492 20 5 HIBDRN CN(CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000463302887 876363294 /nfs/dbraw/zinc/36/32/94/876363294.db2.gz CEACYZRFSWUCFP-UHFFFAOYSA-N 0 0 407.392 4.241 20 5 HIBDRN COc1cc(Cn2nc(-c3cccs3)c3ccccc3c2=O)c([N+](=O)[O-])cc1F ZINC000463333203 876389810 /nfs/dbraw/zinc/38/98/10/876389810.db2.gz KTTVIKQCNBQCPU-UHFFFAOYSA-N 0 0 411.414 4.229 20 5 HIBDRN Cn1cnnc1Sc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000463349732 876402862 /nfs/dbraw/zinc/40/28/62/876402862.db2.gz RHOMVPKXEKAFIG-UHFFFAOYSA-N 0 0 423.376 4.146 20 5 HIBDRN CN(CCc1cccc(Br)c1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000463416152 876470412 /nfs/dbraw/zinc/47/04/12/876470412.db2.gz SXWDGNZPZOUVCY-UHFFFAOYSA-N 0 0 417.263 4.082 20 5 HIBDRN COc1cc(COc2ccc(S(=O)(=O)c3ccccc3)cc2)c([N+](=O)[O-])cc1F ZINC000463425032 876480949 /nfs/dbraw/zinc/48/09/49/876480949.db2.gz QOASHJKOCXCVEU-UHFFFAOYSA-N 0 0 417.414 4.154 20 5 HIBDRN COc1cc(COc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)c([N+](=O)[O-])cc1F ZINC000463439072 876497259 /nfs/dbraw/zinc/49/72/59/876497259.db2.gz YRCDIUCAAWRHLL-KRWDZBQOSA-N 0 0 415.377 4.223 20 5 HIBDRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000463545056 876626918 /nfs/dbraw/zinc/62/69/18/876626918.db2.gz IGENUWKVJCQOIT-OAHLLOKOSA-N 0 0 400.450 4.256 20 5 HIBDRN O=C(NCc1nc(-c2ccncc2)cs1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463560951 876648705 /nfs/dbraw/zinc/64/87/05/876648705.db2.gz XGRVAPXYGIAIQA-UHFFFAOYSA-N 0 0 408.361 4.062 20 5 HIBDRN O=C(NCc1cccc(OCC(F)F)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463569791 876663549 /nfs/dbraw/zinc/66/35/49/876663549.db2.gz WNCNFSHFCXCKIH-UHFFFAOYSA-N 0 0 404.291 4.188 20 5 HIBDRN O=C(COc1c(F)cccc1[N+](=O)[O-])NCc1ccc(COc2ccccc2)cc1 ZINC000463571542 876665691 /nfs/dbraw/zinc/66/56/91/876665691.db2.gz RZPBMBUIPAXTRJ-UHFFFAOYSA-N 0 0 410.401 4.008 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000463587211 876692404 /nfs/dbraw/zinc/69/24/04/876692404.db2.gz HAFIHOVPBWLCPK-ZJUUUORDSA-N 0 0 402.275 4.356 20 5 HIBDRN CN(CCc1cccc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463682619 876803554 /nfs/dbraw/zinc/80/35/54/876803554.db2.gz WUQOTFYIRIGCHF-UHFFFAOYSA-N 0 0 421.478 4.159 20 5 HIBDRN CCCN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463691610 876811661 /nfs/dbraw/zinc/81/16/61/876811661.db2.gz SXMSGBZHCFWSJH-SFHVURJKSA-N 0 0 411.483 4.231 20 5 HIBDRN O=C(NCc1cccc(-c2cccnc2)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000463707992 876826795 /nfs/dbraw/zinc/82/67/95/876826795.db2.gz XJNSZQJBQOUGCW-UHFFFAOYSA-N 0 0 412.243 4.349 20 5 HIBDRN Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463742168 876863591 /nfs/dbraw/zinc/86/35/91/876863591.db2.gz UUOLQMFVSXPULY-MHZLTWQESA-N 0 0 400.378 4.053 20 5 HIBDRN CCc1ccc2c(c1)[C@@H](CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N2 ZINC000463771254 876892793 /nfs/dbraw/zinc/89/27/93/876892793.db2.gz OUQFXGZQZHBSAK-CYBMUJFWSA-N 0 0 421.375 4.032 20 5 HIBDRN CC[C@H](c1nnc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000463774839 876895674 /nfs/dbraw/zinc/89/56/74/876895674.db2.gz MAQGQFVSHJUJKT-HNNXBMFYSA-N 0 0 411.487 4.063 20 5 HIBDRN O=C(COc1c(F)cccc1[N+](=O)[O-])N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000463784524 876903471 /nfs/dbraw/zinc/90/34/71/876903471.db2.gz BZQUWOULMUTSCP-LJQANCHMSA-N 0 0 406.413 4.287 20 5 HIBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCn2c(cc3ccccc32)C1 ZINC000463898997 877021354 /nfs/dbraw/zinc/02/13/54/877021354.db2.gz VQVRMTICVQAFIX-UHFFFAOYSA-N 0 0 415.247 4.360 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000463949167 877070712 /nfs/dbraw/zinc/07/07/12/877070712.db2.gz KCDFKBBJDKIXDD-UHFFFAOYSA-N 0 0 408.414 4.379 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccc(Cl)c(F)c1 ZINC000463953682 877074867 /nfs/dbraw/zinc/07/48/67/877074867.db2.gz WBRCBGQVQGYDLX-MRXNPFEDSA-N 0 0 423.828 4.430 20 5 HIBDRN Cc1nc(C(F)(F)F)sc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000463958899 877083464 /nfs/dbraw/zinc/08/34/64/877083464.db2.gz RCZNZFKXWIAPND-ZDUSSCGKSA-N 0 0 403.407 4.266 20 5 HIBDRN CCOC(=O)c1sc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)nc1C ZINC000463967002 877093403 /nfs/dbraw/zinc/09/34/03/877093403.db2.gz JKFBZOGXUZYITE-GFCCVEGCSA-N 0 0 406.464 4.036 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000463974726 877100839 /nfs/dbraw/zinc/10/08/39/877100839.db2.gz JAWZLZKPIUBVQV-QGZVFWFLSA-N 0 0 406.446 4.366 20 5 HIBDRN COc1ccc(CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@H](CO)C(C)C)cc1 ZINC000463975755 877103246 /nfs/dbraw/zinc/10/32/46/877103246.db2.gz LPUZPNKPCKYGQA-OAQYLSRUSA-N 0 0 415.490 4.271 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000463976444 877104966 /nfs/dbraw/zinc/10/49/66/877104966.db2.gz NLDLZNGJJMQTJE-UHFFFAOYSA-N 0 0 401.438 4.221 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000464013642 877147754 /nfs/dbraw/zinc/14/77/54/877147754.db2.gz QUYLBMKAQKCFCO-NRFANRHFSA-N 0 0 421.428 4.195 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000464016504 877150212 /nfs/dbraw/zinc/15/02/12/877150212.db2.gz CPOKBYCJPHTUBA-UHFFFAOYSA-N 0 0 419.437 4.259 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000464019885 877153971 /nfs/dbraw/zinc/15/39/71/877153971.db2.gz LFGJOTKKEXHCJE-APPDUMDISA-N 0 0 412.339 4.355 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000464044582 877183892 /nfs/dbraw/zinc/18/38/92/877183892.db2.gz MYGATALHISEBRL-HXUWFJFHSA-N 0 0 413.449 4.337 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](c1cccc(F)c1)C(C)(C)C ZINC000464048297 877188436 /nfs/dbraw/zinc/18/84/36/877188436.db2.gz IZZAKESKIREBTQ-GOSISDBHSA-N 0 0 401.438 4.193 20 5 HIBDRN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000464053370 877197233 /nfs/dbraw/zinc/19/72/33/877197233.db2.gz ZZMGTASLFPTKQW-YADHBBJMSA-N 0 0 404.470 4.497 20 5 HIBDRN Cc1cc(Cl)cnc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000464060619 877204608 /nfs/dbraw/zinc/20/46/08/877204608.db2.gz DGIYKPGCFRDAIH-OAHLLOKOSA-N 0 0 420.853 4.156 20 5 HIBDRN COc1cc(CSCc2noc(Cc3ccccc3C)n2)c([N+](=O)[O-])cc1F ZINC000464072374 877222593 /nfs/dbraw/zinc/22/25/93/877222593.db2.gz GRMOFLJNFKFWOY-UHFFFAOYSA-N 0 0 403.435 4.458 20 5 HIBDRN COc1cc(CNc2ccc(C(=O)NC3CCCC3)cc2C)c([N+](=O)[O-])cc1F ZINC000464083210 877235967 /nfs/dbraw/zinc/23/59/67/877235967.db2.gz BRMSRRUCUFYMKA-UHFFFAOYSA-N 0 0 401.438 4.335 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)Nc3ncc(C(C)(C)C)s3)cc2)c(C)c1[N+](=O)[O-] ZINC000464086588 877239106 /nfs/dbraw/zinc/23/91/06/877239106.db2.gz IWFBQUGFYYIZPN-UHFFFAOYSA-N 0 0 413.503 4.463 20 5 HIBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000464117855 877272228 /nfs/dbraw/zinc/27/22/28/877272228.db2.gz FADJUEWXQKXPFU-UHFFFAOYSA-N 0 0 405.458 4.064 20 5 HIBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000464138354 877302253 /nfs/dbraw/zinc/30/22/53/877302253.db2.gz GNXPKWIUKZBELB-HNNXBMFYSA-N 0 0 401.511 4.238 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000503240053 912221675 /nfs/dbraw/zinc/22/16/75/912221675.db2.gz HYFHSRNPCURJTQ-ZDUSSCGKSA-N 0 0 422.235 4.011 20 5 HIBDRN COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000464172987 877340493 /nfs/dbraw/zinc/34/04/93/877340493.db2.gz AXJPNQFHYZLWCZ-LBPRGKRZSA-N 0 0 407.264 4.069 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CCSC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464239369 877416010 /nfs/dbraw/zinc/41/60/10/877416010.db2.gz VBTCGLZDMBTPGU-ZDUSSCGKSA-N 0 0 408.863 4.284 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000464244935 877422985 /nfs/dbraw/zinc/42/29/85/877422985.db2.gz GXESZLSGUWLSQV-SNVBAGLBSA-N 0 0 401.216 4.078 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)NC[C@@H](C)Sc3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000464250228 877427611 /nfs/dbraw/zinc/42/76/11/877427611.db2.gz NVZNUESUEYIMCN-OAHLLOKOSA-N 0 0 424.526 4.367 20 5 HIBDRN COc1cc(COc2c(OC)cc(C)cc2OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000503256646 912235202 /nfs/dbraw/zinc/23/52/02/912235202.db2.gz PMMBEQAQTKXJMA-UHFFFAOYSA-N 0 0 413.373 4.152 20 5 HIBDRN COc1ccc(CN(CC2CC2)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(OC)c1 ZINC000503256021 912235415 /nfs/dbraw/zinc/23/54/15/912235415.db2.gz JTHQVPACPDAEJX-UHFFFAOYSA-N 0 0 415.446 4.065 20 5 HIBDRN Cc1oc2ccccc2c1CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000464266100 877448198 /nfs/dbraw/zinc/44/81/98/877448198.db2.gz CUNMXEGQZPGVML-UHFFFAOYSA-N 0 0 407.470 4.225 20 5 HIBDRN Cc1nn(C)c(C)c1C(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000464288228 877475204 /nfs/dbraw/zinc/47/52/04/877475204.db2.gz ZOFAOUZVIPLPNI-UHFFFAOYSA-N 0 0 413.503 4.371 20 5 HIBDRN Cc1ccc([C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000503262840 912242373 /nfs/dbraw/zinc/24/23/73/912242373.db2.gz HOTHPTWSZWOZAP-QFIPXVFZSA-N 0 0 402.454 4.392 20 5 HIBDRN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)o1 ZINC000464418141 877625012 /nfs/dbraw/zinc/62/50/12/877625012.db2.gz GDPJUHMOXHGLJJ-QGZVFWFLSA-N 0 0 415.471 4.350 20 5 HIBDRN O=C(NCCC1=CCCCCC1)c1ccc([N+](=O)[O-])cc1I ZINC000464434450 877648218 /nfs/dbraw/zinc/64/82/18/877648218.db2.gz USLNSNXRIPBJCI-UHFFFAOYSA-N 0 0 414.243 4.210 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](c1ccccc1Cl)C(C)C ZINC000503276118 912259512 /nfs/dbraw/zinc/25/95/12/912259512.db2.gz PQDNHGYSNPJMLL-SFHVURJKSA-N 0 0 419.865 4.051 20 5 HIBDRN CCCCN(CC(N)=O)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000464441524 877654857 /nfs/dbraw/zinc/65/48/57/877654857.db2.gz OGLIDPRXQVMSJC-UHFFFAOYSA-N 0 0 421.906 4.127 20 5 HIBDRN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000464475040 877696443 /nfs/dbraw/zinc/69/64/43/877696443.db2.gz MMUDGIFEZBHDEI-UHFFFAOYSA-N 0 0 424.375 4.499 20 5 HIBDRN COc1cc(CN[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c([N+](=O)[O-])cc1F ZINC000464499504 877720567 /nfs/dbraw/zinc/72/05/67/877720567.db2.gz TWSCDVKRRLZGRS-NSHDSACASA-N 0 0 404.373 4.091 20 5 HIBDRN Cc1nn(C)c(C)c1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000464500182 877720715 /nfs/dbraw/zinc/72/07/15/877720715.db2.gz XFPFQMWFJSZFAD-UHFFFAOYSA-N 0 0 414.849 4.321 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2S(=O)(=O)C2CCCC2)c1 ZINC000464572294 877793754 /nfs/dbraw/zinc/79/37/54/877793754.db2.gz SCMVTHPILADZFN-UHFFFAOYSA-N 0 0 420.512 4.285 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](OC)c2cccc(Cl)c2)cc1SC ZINC000464592794 877819742 /nfs/dbraw/zinc/81/97/42/877819742.db2.gz KOUDCCHSIRIJDB-INIZCTEOSA-N 0 0 410.879 4.096 20 5 HIBDRN CO[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(Cl)c1 ZINC000464594616 877821556 /nfs/dbraw/zinc/82/15/56/877821556.db2.gz QYXSUICOKUWMMY-JOCHJYFZSA-N 0 0 420.896 4.312 20 5 HIBDRN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(Cl)c1 ZINC000464600145 877827448 /nfs/dbraw/zinc/82/74/48/877827448.db2.gz UHWKOPDCNNNEBC-HNNXBMFYSA-N 0 0 413.655 4.128 20 5 HIBDRN O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464628616 877846113 /nfs/dbraw/zinc/84/61/13/877846113.db2.gz OOQNLGQLLBGKEF-SJORKVTESA-N 0 0 400.397 4.333 20 5 HIBDRN C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccc(Cl)cc1 ZINC000464629238 877847283 /nfs/dbraw/zinc/84/72/83/877847283.db2.gz KDFNDNYOBOCYNP-MRXNPFEDSA-N 0 0 420.896 4.392 20 5 HIBDRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(Br)cc1 ZINC000464632102 877848880 /nfs/dbraw/zinc/84/88/80/877848880.db2.gz VUDVGNXTENZBOZ-JTQLQIEISA-N 0 0 413.655 4.208 20 5 HIBDRN COc1ccc2cc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c(C)nc2c1 ZINC000464632336 877850218 /nfs/dbraw/zinc/85/02/18/877850218.db2.gz DIOMRONSCUIEFY-UHFFFAOYSA-N 0 0 421.453 4.144 20 5 HIBDRN O=C(c1cnc(-c2ccccc2)s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464632302 877850427 /nfs/dbraw/zinc/85/04/27/877850427.db2.gz DDUXMJPPEXZGMF-UHFFFAOYSA-N 0 0 409.467 4.402 20 5 HIBDRN O=C([C@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464637563 877855198 /nfs/dbraw/zinc/85/51/98/877855198.db2.gz ODAXIBNKZBBJHB-MJGOQNOKSA-N 0 0 402.397 4.047 20 5 HIBDRN O=C(c1cc(Cl)cc2cccnc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464640730 877858448 /nfs/dbraw/zinc/85/84/48/877858448.db2.gz WATZFGRKEVHUNT-UHFFFAOYSA-N 0 0 411.845 4.480 20 5 HIBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)c1 ZINC000464643094 877861175 /nfs/dbraw/zinc/86/11/75/877861175.db2.gz LGICNTVJAWJOLZ-GOSISDBHSA-N 0 0 414.527 4.489 20 5 HIBDRN Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464645402 877863634 /nfs/dbraw/zinc/86/36/34/877863634.db2.gz VMEXYPKCQSJORS-HNNXBMFYSA-N 0 0 418.877 4.394 20 5 HIBDRN COc1ccc(CSCC(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000464658487 877879945 /nfs/dbraw/zinc/87/99/45/877879945.db2.gz VOFWTQBPSGDUAO-GFCCVEGCSA-N 0 0 422.890 4.304 20 5 HIBDRN Cc1nc(-c2ccccn2)sc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464664776 877885193 /nfs/dbraw/zinc/88/51/93/877885193.db2.gz PTPMZHGYQNOANH-UHFFFAOYSA-N 0 0 424.482 4.105 20 5 HIBDRN Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc(C)c1OC(F)F ZINC000464665138 877885269 /nfs/dbraw/zinc/88/52/69/877885269.db2.gz RSSRXLUJICOLPO-UHFFFAOYSA-N 0 0 420.412 4.497 20 5 HIBDRN COc1cc(CN(Cc2cccc(C)n2)Cc2cccc(C)n2)c([N+](=O)[O-])cc1F ZINC000464679092 877895032 /nfs/dbraw/zinc/89/50/32/877895032.db2.gz ULRFVFNFKFXVIJ-UHFFFAOYSA-N 0 0 410.449 4.352 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000464704817 877924629 /nfs/dbraw/zinc/92/46/29/877924629.db2.gz NJBBLLUNKWIDBR-DYESRHJHSA-N 0 0 400.500 4.279 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCCC1 ZINC000464710377 877933951 /nfs/dbraw/zinc/93/39/51/877933951.db2.gz LFBBRBADNRYKTE-UHFFFAOYSA-N 0 0 416.499 4.191 20 5 HIBDRN C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000464713679 877938112 /nfs/dbraw/zinc/93/81/12/877938112.db2.gz WPACLGMIZQJZHR-RYUDHWBXSA-N 0 0 422.869 4.324 20 5 HIBDRN O=C(Cc1cccc(F)c1)c1cc(Cl)cnc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000464712872 877938484 /nfs/dbraw/zinc/93/84/84/877938484.db2.gz RSUKBYMRDWXTLM-UHFFFAOYSA-N 0 0 403.753 4.053 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000464715763 877942886 /nfs/dbraw/zinc/94/28/86/877942886.db2.gz USHRGRZOQBDFHG-SFHVURJKSA-N 0 0 409.486 4.265 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000464719777 877947725 /nfs/dbraw/zinc/94/77/25/877947725.db2.gz MGAQOWGUFUUIHI-QGZVFWFLSA-N 0 0 411.487 4.078 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000464721558 877949160 /nfs/dbraw/zinc/94/91/60/877949160.db2.gz XLCXGTUHRLYMJP-UHFFFAOYSA-N 0 0 424.478 4.383 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000464725184 877958736 /nfs/dbraw/zinc/95/87/36/877958736.db2.gz VRAUNLNUXXKNTD-UHFFFAOYSA-N 0 0 400.822 4.432 20 5 HIBDRN C[C@H](c1nnc(-c2cccs2)o1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464776811 878018949 /nfs/dbraw/zinc/01/89/49/878018949.db2.gz OVBLIPZJUHUVOU-CYBMUJFWSA-N 0 0 400.460 4.311 20 5 HIBDRN Cc1c(Cl)cccc1NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783757 878029357 /nfs/dbraw/zinc/02/93/57/878029357.db2.gz PMLWHDVWJOMBJL-UHFFFAOYSA-N 0 0 403.866 4.039 20 5 HIBDRN O=C(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000464783095 878030143 /nfs/dbraw/zinc/03/01/43/878030143.db2.gz GAKFIPAFAHJXGG-UHFFFAOYSA-N 0 0 424.284 4.384 20 5 HIBDRN CCc1cccc(CC)c1NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782943 878030619 /nfs/dbraw/zinc/03/06/19/878030619.db2.gz CUEXNWIMGGJYKH-UHFFFAOYSA-N 0 0 411.502 4.202 20 5 HIBDRN COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)c1 ZINC000464797541 878041115 /nfs/dbraw/zinc/04/11/15/878041115.db2.gz XSQOCDCEDFWJAV-AWEZNQCLSA-N 0 0 410.426 4.021 20 5 HIBDRN 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0 0 416.425 4.121 20 5 HIBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469459956 883670363 /nfs/dbraw/zinc/67/03/63/883670363.db2.gz ZXIVGTSCKBRIPM-OCCSQVGLSA-N 0 0 400.385 4.474 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000469750982 883910869 /nfs/dbraw/zinc/91/08/69/883910869.db2.gz FXMDEBVQARTSAY-JTQLQIEISA-N 0 0 406.236 4.358 20 5 HIBDRN COc1ccc(Br)c(CN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000469863574 884052067 /nfs/dbraw/zinc/05/20/67/884052067.db2.gz CUCLSPIBHLQFTG-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC[C@@H]1C ZINC000469876754 884066908 /nfs/dbraw/zinc/06/69/08/884066908.db2.gz ZDGDYPIOXOHMGJ-XOBRGWDASA-N 0 0 417.893 4.357 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3ncccc3Cl)CC2)cc1OC ZINC000469949412 884149658 /nfs/dbraw/zinc/14/96/58/884149658.db2.gz WCJYSCKOTWQKCO-UHFFFAOYSA-N 0 0 419.865 4.070 20 5 HIBDRN 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HIBDRN O=C(c1cnc2ccccc2c1C(F)(F)F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470280005 884642294 /nfs/dbraw/zinc/64/22/94/884642294.db2.gz NBNVBNFXMTWENZ-UHFFFAOYSA-N 0 0 417.343 4.065 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000470357256 884750239 /nfs/dbraw/zinc/75/02/39/884750239.db2.gz YGNZLKYIMNQUSS-FQEVSTJZSA-N 0 0 410.861 4.275 20 5 HIBDRN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000470357257 884750781 /nfs/dbraw/zinc/75/07/81/884750781.db2.gz YGNZLKYIMNQUSS-HXUWFJFHSA-N 0 0 410.861 4.275 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3c[nH]c4ncccc34)c(C)s2)ccc1[N+](=O)[O-] ZINC000503916690 912863931 /nfs/dbraw/zinc/86/39/31/912863931.db2.gz NHKUPCCKCOSQHS-UHFFFAOYSA-N 0 0 409.427 4.164 20 5 HIBDRN O=C(Nc1ccc(COC2CCCC2)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470401701 884806742 /nfs/dbraw/zinc/80/67/42/884806742.db2.gz VOWDJDPBUMSAAU-UHFFFAOYSA-N 0 0 411.458 4.349 20 5 HIBDRN O=C(Nc1cccc(N2CCCCCC2)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470402150 884807764 /nfs/dbraw/zinc/80/77/64/884807764.db2.gz ZPZYDKDNSVVZHM-UHFFFAOYSA-N 0 0 410.474 4.270 20 5 HIBDRN C[C@H](C(=O)N1CCN(c2cccc3cnccc32)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000470418045 884820616 /nfs/dbraw/zinc/82/06/16/884820616.db2.gz DZGLQQWANJLGKJ-HOTGVXAUSA-N 0 0 422.460 4.123 20 5 HIBDRN C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000470470053 884861629 /nfs/dbraw/zinc/86/16/29/884861629.db2.gz GZUWIAHMYGRJAJ-MRXNPFEDSA-N 0 0 405.458 4.129 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccnc(Oc2ccccc2F)c1 ZINC000470522911 884915842 /nfs/dbraw/zinc/91/58/42/884915842.db2.gz YUGBVLLEFKGVQP-UHFFFAOYSA-N 0 0 420.400 4.261 20 5 HIBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(C(F)(F)F)cs1 ZINC000470574214 884990180 /nfs/dbraw/zinc/99/01/80/884990180.db2.gz MMAJKIOUKXVTCN-LURJTMIESA-N 0 0 411.308 4.163 20 5 HIBDRN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000470585487 885001599 /nfs/dbraw/zinc/00/15/99/885001599.db2.gz XJXHMCJHUPLSIN-HNNXBMFYSA-N 0 0 414.792 4.309 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCOCc2ccccc21 ZINC000470638957 885063847 /nfs/dbraw/zinc/06/38/47/885063847.db2.gz ZCWGERSYQVZYPH-UHFFFAOYSA-N 0 0 404.422 4.351 20 5 HIBDRN COc1ccc(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000470670400 885099180 /nfs/dbraw/zinc/09/91/80/885099180.db2.gz VQJZFYCAIZWSKZ-UHFFFAOYSA-N 0 0 400.431 4.130 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000470674376 885104871 /nfs/dbraw/zinc/10/48/71/885104871.db2.gz UPZSOFPTHFXIPD-FCEWJHQRSA-N 0 0 403.523 4.012 20 5 HIBDRN CC[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000470677838 885108750 /nfs/dbraw/zinc/10/87/50/885108750.db2.gz HLHUJZTXBXQSNK-MAUKXSAKSA-N 0 0 412.490 4.098 20 5 HIBDRN C[C@@H](C(=O)N1CCC[C@H](OCc2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470688211 885121768 /nfs/dbraw/zinc/12/17/68/885121768.db2.gz KMGGROAXXVEMCR-PBHICJAKSA-N 0 0 404.413 4.184 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@](C)(OC)C2)cc1 ZINC000470709283 885147176 /nfs/dbraw/zinc/14/71/76/885147176.db2.gz GWJMSQZCIXSPKZ-NRFANRHFSA-N 0 0 400.431 4.037 20 5 HIBDRN C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000470735383 885189003 /nfs/dbraw/zinc/18/90/03/885189003.db2.gz FMLIHHSTTFOKFA-ZUZCIYMTSA-N 0 0 411.277 4.021 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000470758109 885223865 /nfs/dbraw/zinc/22/38/65/885223865.db2.gz XWQBBYVCQBSAEO-BWACUDIHSA-N 0 0 410.879 4.066 20 5 HIBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC3(CCCCC3)CC2)cc1OC ZINC000470764953 885229941 /nfs/dbraw/zinc/22/99/41/885229941.db2.gz IZJCVHUNUXOMEM-UHFFFAOYSA-N 0 0 420.506 4.205 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000470807735 885297028 /nfs/dbraw/zinc/29/70/28/885297028.db2.gz HHOJONJLALPDJV-UHFFFAOYSA-N 0 0 403.822 4.026 20 5 HIBDRN C[C@H](Oc1cnc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000470807731 885297131 /nfs/dbraw/zinc/29/71/31/885297131.db2.gz HFHOLQKNTDSINO-NSHDSACASA-N 0 0 403.341 4.150 20 5 HIBDRN COc1cc(Br)ccc1[C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470821103 885308686 /nfs/dbraw/zinc/30/86/86/885308686.db2.gz MELYQXWIXHDUJX-JTQLQIEISA-N 0 0 418.247 4.338 20 5 HIBDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000470834388 885324603 /nfs/dbraw/zinc/32/46/03/885324603.db2.gz VJBIMWPJXUJWSZ-GFCCVEGCSA-N 0 0 407.264 4.176 20 5 HIBDRN Cc1cccc(NC(=O)COc2ccc(CCNc3cc(C)c([N+](=O)[O-])cn3)cc2)c1 ZINC000470861102 885353119 /nfs/dbraw/zinc/35/31/19/885353119.db2.gz UHJMRASJHLYOEO-UHFFFAOYSA-N 0 0 420.469 4.279 20 5 HIBDRN COc1ccccc1OCC(=O)Nc1cccc(Nc2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000470860507 885353332 /nfs/dbraw/zinc/35/33/32/885353332.db2.gz QINUNBNYEYVWCH-UHFFFAOYSA-N 0 0 408.414 4.068 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504034402 912939462 /nfs/dbraw/zinc/93/94/62/912939462.db2.gz NOMZOUYPVQOFDG-UHFFFAOYSA-N 0 0 403.649 4.190 20 5 HIBDRN CO[C@H](C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1CC1 ZINC000470983024 885484758 /nfs/dbraw/zinc/48/47/58/885484758.db2.gz ICHJLULEKPJWDW-SFHVURJKSA-N 0 0 408.813 4.221 20 5 HIBDRN NC(=O)c1ccccc1CCC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000470984171 885484920 /nfs/dbraw/zinc/48/49/20/885484920.db2.gz IDPJYWXFUVFDFF-UHFFFAOYSA-N 0 0 405.410 4.057 20 5 HIBDRN Cc1nc(N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000471064381 885582196 /nfs/dbraw/zinc/58/21/96/885582196.db2.gz ZWMFVVPYESPOBO-FQEVSTJZSA-N 0 0 415.446 4.042 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(I)c1C ZINC000471093230 885623370 /nfs/dbraw/zinc/62/33/70/885623370.db2.gz UKKMPLKQOVJHQG-UHFFFAOYSA-N 0 0 410.211 4.377 20 5 HIBDRN COc1cc(C(=O)NC[C@H]2CCCC2=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471129944 885669093 /nfs/dbraw/zinc/66/90/93/885669093.db2.gz GPQVEOPRBUDDHV-CYBMUJFWSA-N 0 0 418.833 4.148 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2NC2CC2)cc([N+](=O)[O-])c1 ZINC000471131501 885670434 /nfs/dbraw/zinc/67/04/34/885670434.db2.gz CUKFJNRQPRBOFN-UHFFFAOYSA-N 0 0 403.822 4.252 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)OC1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000471151270 885699141 /nfs/dbraw/zinc/69/91/41/885699141.db2.gz JWNXDKYOZVVEGT-VQIMIIECSA-N 0 0 420.506 4.222 20 5 HIBDRN Cc1[nH]c2ccccc2c1C1=CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000471159259 885711340 /nfs/dbraw/zinc/71/13/40/885711340.db2.gz HAYLLNFHQWUWOK-UHFFFAOYSA-N 0 0 404.470 4.421 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000471158108 885711555 /nfs/dbraw/zinc/71/15/55/885711555.db2.gz XARHJIKWBFEKOX-LBPRGKRZSA-N 0 0 423.288 4.333 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC000471160933 885715516 /nfs/dbraw/zinc/71/55/16/885715516.db2.gz IQWONPVOIKWPJC-UHFFFAOYSA-N 0 0 411.458 4.180 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000471162351 885717794 /nfs/dbraw/zinc/71/77/94/885717794.db2.gz WCCOQYXPRWHAAB-UHFFFAOYSA-N 0 0 420.469 4.121 20 5 HIBDRN Cc1cccc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccccn2)c1 ZINC000471175640 885737195 /nfs/dbraw/zinc/73/71/95/885737195.db2.gz FAEIWQYPOIUCPX-UHFFFAOYSA-N 0 0 404.470 4.248 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)cc1[N+](=O)[O-] ZINC000471180903 885746833 /nfs/dbraw/zinc/74/68/33/885746833.db2.gz IQLYLDOXQBMSJL-GFCCVEGCSA-N 0 0 407.854 4.346 20 5 HIBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000471247798 885824605 /nfs/dbraw/zinc/82/46/05/885824605.db2.gz XBXWLPTZXFHILT-UHFFFAOYSA-N 0 0 420.313 4.354 20 5 HIBDRN CCc1ccc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)cc1[N+](=O)[O-] ZINC000471256730 885835410 /nfs/dbraw/zinc/83/54/10/885835410.db2.gz FBAHHILVGFANBK-UHFFFAOYSA-N 0 0 408.389 4.196 20 5 HIBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000504074388 912978252 /nfs/dbraw/zinc/97/82/52/912978252.db2.gz VPKSHAYGNUZNTF-UHFFFAOYSA-N 0 0 421.457 4.130 20 5 HIBDRN O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000471295321 885881836 /nfs/dbraw/zinc/88/18/36/885881836.db2.gz ARYGWEAJIYQYAY-UHFFFAOYSA-N 0 0 412.833 4.329 20 5 HIBDRN COCCC[C@H](Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000471303710 885893223 /nfs/dbraw/zinc/89/32/23/885893223.db2.gz JHGSTIXVZJFGOA-MRXNPFEDSA-N 0 0 410.392 4.381 20 5 HIBDRN COCCC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000471308894 885897757 /nfs/dbraw/zinc/89/77/57/885897757.db2.gz BMPVLLAGOZNESV-QGZVFWFLSA-N 0 0 410.392 4.381 20 5 HIBDRN CCc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000471353353 885970781 /nfs/dbraw/zinc/97/07/81/885970781.db2.gz KHENFWDUQIALSW-UHFFFAOYSA-N 0 0 401.850 4.299 20 5 HIBDRN Cc1c(NC(=O)N(C)C)cccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000471366453 886001172 /nfs/dbraw/zinc/00/11/72/886001172.db2.gz NCAIFQXNVKOZCI-UHFFFAOYSA-N 0 0 411.462 4.193 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 ZINC000504089055 912997849 /nfs/dbraw/zinc/99/78/49/912997849.db2.gz DWIFBJDHTCKLLO-CYBMUJFWSA-N 0 0 417.487 4.323 20 5 HIBDRN Cc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cccc1NC(=O)N(C)C ZINC000471378304 886024832 /nfs/dbraw/zinc/02/48/32/886024832.db2.gz RLXOFCFXKDLSCE-GFCCVEGCSA-N 0 0 420.853 4.056 20 5 HIBDRN Cc1ccc([C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000471381758 886028506 /nfs/dbraw/zinc/02/85/06/886028506.db2.gz CXOWNBKJLHVYAI-IBGZPJMESA-N 0 0 413.380 4.419 20 5 HIBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(c1ccccc1F)C1CCCC1 ZINC000471426431 886082559 /nfs/dbraw/zinc/08/25/59/886082559.db2.gz YDCINUDGWXVCAE-UHFFFAOYSA-N 0 0 400.406 4.023 20 5 HIBDRN Cc1c(C(=O)N(c2ccccc2F)C2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000471430646 886088707 /nfs/dbraw/zinc/08/87/07/886088707.db2.gz GMAZRLNESIXODT-UHFFFAOYSA-N 0 0 409.421 4.212 20 5 HIBDRN CCCC[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000471450834 886126116 /nfs/dbraw/zinc/12/61/16/886126116.db2.gz QJVAUSLZHAJYNR-VIFPVBQESA-N 0 0 421.313 4.049 20 5 HIBDRN COc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2OC)c([N+](=O)[O-])cc1OC ZINC000471453754 886130034 /nfs/dbraw/zinc/13/00/34/886130034.db2.gz UZJCGRFKHHNRGP-MRXNPFEDSA-N 0 0 402.447 4.138 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)c1 ZINC000471455525 886132104 /nfs/dbraw/zinc/13/21/04/886132104.db2.gz QNQOJJLMJZNUBO-UHFFFAOYSA-N 0 0 406.442 4.394 20 5 HIBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](COC)Cc1ccccc1 ZINC000471469738 886160431 /nfs/dbraw/zinc/16/04/31/886160431.db2.gz FGJSBOOCGUOYDS-INIZCTEOSA-N 0 0 421.291 4.077 20 5 HIBDRN C[C@H](OC[C@@H](O)COc1ccc([N+](=O)[O-])c2ncccc12)c1ccc(Cl)cc1 ZINC000471474101 886167476 /nfs/dbraw/zinc/16/74/76/886167476.db2.gz CXDQJGNMWXYNHZ-XJKSGUPXSA-N 0 0 402.834 4.314 20 5 HIBDRN COc1cc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000471520133 886223225 /nfs/dbraw/zinc/22/32/25/886223225.db2.gz CGDPPKMZQMNDQE-OCCSQVGLSA-N 0 0 424.375 4.410 20 5 HIBDRN Cc1cc(Br)c(F)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000471545583 886253185 /nfs/dbraw/zinc/25/31/85/886253185.db2.gz GOPDCKHYGXRQFI-UHFFFAOYSA-N 0 0 419.210 4.243 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ncccc1OCc1cccc(Cl)c1 ZINC000471546124 886253385 /nfs/dbraw/zinc/25/33/85/886253385.db2.gz IKKOBEAULCURMZ-UHFFFAOYSA-N 0 0 413.817 4.240 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)cc2[N+](=O)[O-])C1 ZINC000471614064 886329854 /nfs/dbraw/zinc/32/98/54/886329854.db2.gz KTUZWBFVSIRYJY-XDHUDOTRSA-N 0 0 421.497 4.103 20 5 HIBDRN CCc1ccc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000471668539 886380422 /nfs/dbraw/zinc/38/04/22/886380422.db2.gz KWEMQBZVESSCAR-UHFFFAOYSA-N 0 0 401.894 4.159 20 5 HIBDRN COC(=O)C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000471686775 886394977 /nfs/dbraw/zinc/39/49/77/886394977.db2.gz VAHQSZRGNHKDSB-NRFANRHFSA-N 0 0 418.449 4.225 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](COc2ccccc2)C1 ZINC000504139955 913038956 /nfs/dbraw/zinc/03/89/56/913038956.db2.gz HNNQBYURVOWWSM-HNNXBMFYSA-N 0 0 409.467 4.259 20 5 HIBDRN NC(=O)c1ccc(N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000471724504 886439124 /nfs/dbraw/zinc/43/91/24/886439124.db2.gz BWYUPYWWCDADOW-UHFFFAOYSA-N 0 0 424.284 4.186 20 5 HIBDRN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000471838725 886597215 /nfs/dbraw/zinc/59/72/15/886597215.db2.gz VVIJRQOXHSVEMJ-OAHLLOKOSA-N 0 0 406.442 4.285 20 5 HIBDRN CCOC(=O)CN(C(=O)c1ccc([N+](=O)[O-])s1)c1cc(Cl)cc(Cl)c1 ZINC000471855970 886627722 /nfs/dbraw/zinc/62/77/22/886627722.db2.gz IRBRTBUWLDTFII-UHFFFAOYSA-N 0 0 403.243 4.173 20 5 HIBDRN NC(=O)c1ccc(NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)c([N+](=O)[O-])c1 ZINC000504180120 913063608 /nfs/dbraw/zinc/06/36/08/913063608.db2.gz CKDDWMWYOAIQOY-UHFFFAOYSA-N 0 0 403.438 4.298 20 5 HIBDRN Cc1ccc(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000471868612 886646570 /nfs/dbraw/zinc/64/65/70/886646570.db2.gz CULZTYXHIQGBEQ-IBGZPJMESA-N 0 0 417.874 4.020 20 5 HIBDRN CCc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000471901556 886684885 /nfs/dbraw/zinc/68/48/85/886684885.db2.gz VBQAZELQSUKIOY-OAHLLOKOSA-N 0 0 418.453 4.296 20 5 HIBDRN CCc1ccc(C(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)cc1[N+](=O)[O-] ZINC000471910190 886695881 /nfs/dbraw/zinc/69/58/81/886695881.db2.gz HLXSSWQNFOUZGJ-UHFFFAOYSA-N 0 0 412.446 4.209 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2cccc(I)c2C)cc1[N+](=O)[O-] ZINC000471912801 886699339 /nfs/dbraw/zinc/69/93/39/886699339.db2.gz XQADYEFGWGYIHS-LBPRGKRZSA-N 0 0 424.238 4.307 20 5 HIBDRN Cc1cc(-c2noc([C@H](C)NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000471982697 886810894 /nfs/dbraw/zinc/81/08/94/886810894.db2.gz CRKMQQDSUZAGOI-OLZOCXBDSA-N 0 0 413.409 4.214 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000471986212 886813222 /nfs/dbraw/zinc/81/32/22/886813222.db2.gz PYJWMEGZPMUHKG-KBPBESRZSA-N 0 0 409.446 4.329 20 5 HIBDRN CCc1ccc(C(=O)NC2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000471997532 886823339 /nfs/dbraw/zinc/82/33/39/886823339.db2.gz ISFDDKHRIUCBNI-OAQYLSRUSA-N 0 0 423.513 4.072 20 5 HIBDRN CC1CCN(c2ccc(C(=O)N3CC[C@]4(C3)OCc3ccccc34)cc2[N+](=O)[O-])CC1 ZINC000472016852 886838997 /nfs/dbraw/zinc/83/89/97/886838997.db2.gz IERRDQQNHILDIT-XMMPIXPASA-N 0 0 421.497 4.103 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC000472025719 886847983 /nfs/dbraw/zinc/84/79/83/886847983.db2.gz CDVRKKMWKWWFAC-ZDUSSCGKSA-N 0 0 412.833 4.136 20 5 HIBDRN CCOC(=O)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(C)c1C ZINC000472106485 886895763 /nfs/dbraw/zinc/89/57/63/886895763.db2.gz RKYIVLMEMIXGNH-KRWDZBQOSA-N 0 0 424.375 4.265 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCSC[C@@H]1c1nccs1 ZINC000472112849 886898890 /nfs/dbraw/zinc/89/88/90/886898890.db2.gz MHOGPOWJFUPFFH-GFCCVEGCSA-N 0 0 403.407 4.000 20 5 HIBDRN C[C@@H](SCC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000472207178 887008502 /nfs/dbraw/zinc/00/85/02/887008502.db2.gz NMYLHZIFZWBQKG-SECBINFHSA-N 0 0 408.398 4.016 20 5 HIBDRN CN(C)c1ccc(-c2cncc(C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)c2)cc1 ZINC000472240530 887049489 /nfs/dbraw/zinc/04/94/89/887049489.db2.gz NXHCRZBIYREXMV-UHFFFAOYSA-N 0 0 402.454 4.316 20 5 HIBDRN COC1CCC(C)(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000472243830 887052704 /nfs/dbraw/zinc/05/27/04/887052704.db2.gz XLXAUOVTNMXXEC-UHFFFAOYSA-N 0 0 403.401 4.008 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CSc2ccc(C)cc2)cc1OC ZINC000472260983 887074196 /nfs/dbraw/zinc/07/41/96/887074196.db2.gz RFDZJKUENBIDSB-AWEZNQCLSA-N 0 0 404.488 4.221 20 5 HIBDRN Cc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000504251765 913117638 /nfs/dbraw/zinc/11/76/38/913117638.db2.gz QLJPGICOIVZNFB-OAHLLOKOSA-N 0 0 404.426 4.042 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000472375410 887216661 /nfs/dbraw/zinc/21/66/61/887216661.db2.gz LUIJQXSDRCDXNA-CQSZACIVSA-N 0 0 408.458 4.362 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCN(c2ccccc2)CC1 ZINC000472381796 887223630 /nfs/dbraw/zinc/22/36/30/887223630.db2.gz JSPJEOMXCHYBDF-UHFFFAOYSA-N 0 0 410.518 4.431 20 5 HIBDRN Cc1cc2c(cc1C)[C@H](C(=O)N(C)c1nc(-c3ccccc3[N+](=O)[O-])cs1)CO2 ZINC000472387373 887232004 /nfs/dbraw/zinc/23/20/04/887232004.db2.gz WLJNUZHLJBVOLZ-MRXNPFEDSA-N 0 0 409.467 4.474 20 5 HIBDRN CCc1ccc(-c2noc([C@H](C)NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000472391517 887237084 /nfs/dbraw/zinc/23/70/84/887237084.db2.gz WJCDCFMQPLPPAS-LBPRGKRZSA-N 0 0 414.849 4.281 20 5 HIBDRN CC(C)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)OC(C)(C)C ZINC000472412850 887262141 /nfs/dbraw/zinc/26/21/41/887262141.db2.gz ILYAGMWVFSIPQR-IBGZPJMESA-N 0 0 422.525 4.027 20 5 HIBDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc(SC)ccc3[N+](=O)[O-])n2)cc1 ZINC000472416001 887265002 /nfs/dbraw/zinc/26/50/02/887265002.db2.gz OKUCIPJFUZSBGV-GFCCVEGCSA-N 0 0 412.471 4.420 20 5 HIBDRN CN1CCc2ccc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cc2C1=O ZINC000472452399 887305385 /nfs/dbraw/zinc/30/53/85/887305385.db2.gz KXYCNQIGNOABHP-UHFFFAOYSA-N 0 0 416.437 4.219 20 5 HIBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000504292799 913146017 /nfs/dbraw/zinc/14/60/17/913146017.db2.gz DUURFHAIJLNNFA-SSKCKEOISA-N 0 0 401.260 4.439 20 5 HIBDRN C[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 ZINC000472624092 887491448 /nfs/dbraw/zinc/49/14/48/887491448.db2.gz RUYUZGSCPCSBIN-AWEZNQCLSA-N 0 0 423.400 4.342 20 5 HIBDRN CC[C@H](C)n1c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000504307206 913156797 /nfs/dbraw/zinc/15/67/97/913156797.db2.gz OFKGADBMQULAPG-ZDUSSCGKSA-N 0 0 411.487 4.216 20 5 HIBDRN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000504319026 913164766 /nfs/dbraw/zinc/16/47/66/913164766.db2.gz SYDBKUDMQMUWIG-ZDUSSCGKSA-N 0 0 407.455 4.223 20 5 HIBDRN CC(=O)c1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1 ZINC000472792047 887637593 /nfs/dbraw/zinc/63/75/93/887637593.db2.gz NRGBIOSODCUFMT-UHFFFAOYSA-N 0 0 402.204 4.201 20 5 HIBDRN COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)OC(C)C ZINC000472820180 887663505 /nfs/dbraw/zinc/66/35/05/887663505.db2.gz ZHMHGBAIXOTMLX-MGPUTAFESA-N 0 0 401.463 4.130 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)cc1OC ZINC000472841968 887695052 /nfs/dbraw/zinc/69/50/52/887695052.db2.gz WJKRCOAYORDSCE-HNNXBMFYSA-N 0 0 424.457 4.369 20 5 HIBDRN C[C@@H]1C[C@H](O)CN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000473009069 887839493 /nfs/dbraw/zinc/83/94/93/887839493.db2.gz LXBRKIXLIHBMJM-FKTQOLNDSA-N 0 0 423.494 4.117 20 5 HIBDRN C[C@H]1CCCN(c2ccc(C(=O)N3CCO[C@H](c4cccs4)C3)cc2[N+](=O)[O-])C1 ZINC000473183777 887963528 /nfs/dbraw/zinc/96/35/28/887963528.db2.gz PUEUUJDAUZJRAQ-KXBFYZLASA-N 0 0 415.515 4.106 20 5 HIBDRN O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000473406380 888123436 /nfs/dbraw/zinc/12/34/36/888123436.db2.gz CEFQLUZQIOKMGJ-AWEZNQCLSA-N 0 0 408.414 4.257 20 5 HIBDRN O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000473421891 888141180 /nfs/dbraw/zinc/14/11/80/888141180.db2.gz PAMIOUKRLMVLCL-INIZCTEOSA-N 0 0 422.441 4.043 20 5 HIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000473515438 888246877 /nfs/dbraw/zinc/24/68/77/888246877.db2.gz XSCJEJFENOCEIU-UHFFFAOYSA-N 0 0 405.483 4.075 20 5 HIBDRN COc1cc(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)c([N+](=O)[O-])cc1OC ZINC000473536199 888274653 /nfs/dbraw/zinc/27/46/53/888274653.db2.gz YOYKEQIZJPBUSC-UHFFFAOYSA-N 0 0 408.410 4.071 20 5 HIBDRN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473536703 888274956 /nfs/dbraw/zinc/27/49/56/888274956.db2.gz XAJLLUUOMCHICK-CQSZACIVSA-N 0 0 411.849 4.047 20 5 HIBDRN C[C@@]1(O)CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000473589690 888333005 /nfs/dbraw/zinc/33/30/05/888333005.db2.gz HMPKTCVGCQYHRJ-OAQYLSRUSA-N 0 0 417.893 4.237 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000473620713 888360251 /nfs/dbraw/zinc/36/02/51/888360251.db2.gz UBHKGDCZJDVGTE-YVEFUNNKSA-N 0 0 418.222 4.264 20 5 HIBDRN COc1c(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])oc2ccccc21 ZINC000473640957 888386911 /nfs/dbraw/zinc/38/69/11/888386911.db2.gz MNZZGLZILNOFPW-UHFFFAOYSA-N 0 0 403.822 4.045 20 5 HIBDRN CCOc1c(OC)cc(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1OC ZINC000473687987 888460021 /nfs/dbraw/zinc/46/00/21/888460021.db2.gz XACRPBUARNZLQK-UHFFFAOYSA-N 0 0 402.447 4.064 20 5 HIBDRN C[C@H](c1ccc2ccccc2c1)N(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000473810887 888636535 /nfs/dbraw/zinc/63/65/35/888636535.db2.gz USOKULQOIJQZJM-MRXNPFEDSA-N 0 0 417.465 4.230 20 5 HIBDRN COc1cc(CCNC(=O)Nc2ccccc2SC(C)C)c([N+](=O)[O-])cc1OC ZINC000473847546 888693966 /nfs/dbraw/zinc/69/39/66/888693966.db2.gz FAXKEPKSZSCKQD-UHFFFAOYSA-N 0 0 419.503 4.477 20 5 HIBDRN COc1cc(CN(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1O ZINC000473897642 888772863 /nfs/dbraw/zinc/77/28/63/888772863.db2.gz URLHPQPVHRNEJM-UHFFFAOYSA-N 0 0 407.426 4.325 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)c3ccc(Cl)c(F)c3Cl)c2)c1 ZINC000473948784 888824105 /nfs/dbraw/zinc/82/41/05/888824105.db2.gz GIZMPYCCVFOGBH-UHFFFAOYSA-N 0 0 416.217 4.141 20 5 HIBDRN Cc1csc(NC2CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000474037499 888882832 /nfs/dbraw/zinc/88/28/32/888882832.db2.gz VVAHXTKNEVSPMG-AWEZNQCLSA-N 0 0 403.508 4.015 20 5 HIBDRN CC(C)c1nnc2ccc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cn21 ZINC000474090039 888916846 /nfs/dbraw/zinc/91/68/46/888916846.db2.gz PRXKBVDFXPCGIZ-UHFFFAOYSA-N 0 0 408.443 4.137 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N[C@@H]3c4ccccc4C[C@@H]3O)c([N+](=O)[O-])c2)cc1 ZINC000474139125 888960951 /nfs/dbraw/zinc/96/09/51/888960951.db2.gz PQNFNJSUWKMYOG-FCHUYYIVSA-N 0 0 403.438 4.226 20 5 HIBDRN COCc1cc([N+](=O)[O-])ccc1NCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000474148315 888976487 /nfs/dbraw/zinc/97/64/87/888976487.db2.gz VLFUONDPMUXXRH-UHFFFAOYSA-N 0 0 400.353 4.303 20 5 HIBDRN CC(=O)Nc1ncccc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000474221854 889060605 /nfs/dbraw/zinc/06/06/05/889060605.db2.gz AEIVROJNTBKHHG-UHFFFAOYSA-N 0 0 408.439 4.352 20 5 HIBDRN CCOc1ccc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000474227429 889068738 /nfs/dbraw/zinc/06/87/38/889068738.db2.gz CMLZTAYAPUQULM-ORAYPTAESA-N 0 0 404.850 4.249 20 5 HIBDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000474232326 889075167 /nfs/dbraw/zinc/07/51/67/889075167.db2.gz WNHGMUKJPYFZSZ-ZUOKHONESA-N 0 0 413.861 4.261 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000474331502 889203463 /nfs/dbraw/zinc/20/34/63/889203463.db2.gz WLXHNVPKVQUEID-UHFFFAOYSA-N 0 0 407.474 4.132 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000474340538 889215018 /nfs/dbraw/zinc/21/50/18/889215018.db2.gz KHBPYMKWJRSYHD-LSDHHAIUSA-N 0 0 420.412 4.346 20 5 HIBDRN COC(=O)COc1ccc(CNc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000474356206 889235178 /nfs/dbraw/zinc/23/51/78/889235178.db2.gz QJLDVPFHRBPMCV-UHFFFAOYSA-N 0 0 406.438 4.350 20 5 HIBDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000474403299 889269590 /nfs/dbraw/zinc/26/95/90/889269590.db2.gz POCJGSFHDKPLSU-UHFFFAOYSA-N 0 0 413.474 4.169 20 5 HIBDRN CC[C@@H](NC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000474501317 889363917 /nfs/dbraw/zinc/36/39/17/889363917.db2.gz OCFAYOSAINUDNR-CVEARBPZSA-N 0 0 412.273 4.386 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000474507181 889370093 /nfs/dbraw/zinc/37/00/93/889370093.db2.gz CXBQGJCASOKKTI-UIAACRFSSA-N 0 0 405.458 4.005 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@H](CO)c3ccsc3)cc2[N+](=O)[O-])n1 ZINC000474643809 889505474 /nfs/dbraw/zinc/50/54/74/889505474.db2.gz ATVXABOFQBCERT-CYBMUJFWSA-N 0 0 421.525 4.036 20 5 HIBDRN Cc1csc(Sc2ccc(-c3nc(C4CCOCC4)no3)cc2[N+](=O)[O-])n1 ZINC000504594173 913353058 /nfs/dbraw/zinc/35/30/58/913353058.db2.gz VNXCOAFKRQGHMT-UHFFFAOYSA-N 0 0 404.473 4.455 20 5 HIBDRN CC[C@@]1(C)Oc2ccc(NC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])cc2O1 ZINC000474657388 889521118 /nfs/dbraw/zinc/52/11/18/889521118.db2.gz MXZOLPXJNKIGDX-IBGZPJMESA-N 0 0 424.356 4.355 20 5 HIBDRN CC(C)CCSc1ccc(C(=O)N2CCSC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000474658998 889522547 /nfs/dbraw/zinc/52/25/47/889522547.db2.gz SPVOKFACBXMZQM-UHFFFAOYSA-N 0 0 424.588 4.471 20 5 HIBDRN O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000474660667 889524196 /nfs/dbraw/zinc/52/41/96/889524196.db2.gz MEZPPKNHHNIUNG-UHFFFAOYSA-N 0 0 408.788 4.262 20 5 HIBDRN O=C(CCc1nc(C2CCCC2)no1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000474707165 889565670 /nfs/dbraw/zinc/56/56/70/889565670.db2.gz GZUQLPOIFKYCPA-UHFFFAOYSA-N 0 0 413.459 4.330 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2OC)ccc1OC1CCCC1 ZINC000474909652 889769310 /nfs/dbraw/zinc/76/93/10/889769310.db2.gz QHBORTIBQCRIII-CQSZACIVSA-N 0 0 414.458 4.424 20 5 HIBDRN O=C(NCc1c(F)cccc1OC(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000474990248 889843337 /nfs/dbraw/zinc/84/33/37/889843337.db2.gz YOJLAUUFYZRTSM-UHFFFAOYSA-N 0 0 409.364 4.210 20 5 HIBDRN COc1c(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)cccc1[N+](=O)[O-] ZINC000475018978 889871416 /nfs/dbraw/zinc/87/14/16/889871416.db2.gz NAFZLUJMVBDKHM-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000475190578 890060557 /nfs/dbraw/zinc/06/05/57/890060557.db2.gz GPCYLPXVZKUUHY-LLVKDONJSA-N 0 0 424.383 4.021 20 5 HIBDRN O=C(NCc1cccc(Cn2ccnc2)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475202550 890071123 /nfs/dbraw/zinc/07/11/23/890071123.db2.gz AFSGQJLGPKEZBL-UHFFFAOYSA-N 0 0 419.363 4.180 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000475208635 890077798 /nfs/dbraw/zinc/07/77/98/890077798.db2.gz ZFMLAIMBNZWZNX-LJQANCHMSA-N 0 0 417.425 4.289 20 5 HIBDRN CN(CCCC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475218891 890089059 /nfs/dbraw/zinc/08/90/59/890089059.db2.gz HLUKVUHYJNSVEI-UHFFFAOYSA-N 0 0 405.373 4.199 20 5 HIBDRN COC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000475239283 890113795 /nfs/dbraw/zinc/11/37/95/890113795.db2.gz WQNDMRSDRCUOJX-CQSZACIVSA-N 0 0 401.316 4.262 20 5 HIBDRN Cc1ccc2nc(COc3ccccc3C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)cn2c1 ZINC000475299900 890205758 /nfs/dbraw/zinc/20/57/58/890205758.db2.gz SQJCNFFSCFDQCG-UHFFFAOYSA-N 0 0 417.425 4.086 20 5 HIBDRN Cc1nc(NC(=O)CCOc2ccc(Cl)cc2Br)ccc1[N+](=O)[O-] ZINC000475298815 890206661 /nfs/dbraw/zinc/20/66/61/890206661.db2.gz CRIPDLGSRLZFOG-UHFFFAOYSA-N 0 0 414.643 4.122 20 5 HIBDRN COc1c(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000475322178 890242292 /nfs/dbraw/zinc/24/22/92/890242292.db2.gz NRDSNWPKCLJAHX-UHFFFAOYSA-N 0 0 413.817 4.483 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000475363617 890291203 /nfs/dbraw/zinc/29/12/03/890291203.db2.gz WVXKQPSIBCEXRH-FCHUYYIVSA-N 0 0 419.485 4.257 20 5 HIBDRN COc1cccc(N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1[N+](=O)[O-] ZINC000475432149 890351541 /nfs/dbraw/zinc/35/15/41/890351541.db2.gz XOLUVAFZTPIPSW-SFHVURJKSA-N 0 0 401.850 4.209 20 5 HIBDRN COc1cccc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1[N+](=O)[O-] ZINC000475440768 890359300 /nfs/dbraw/zinc/35/93/00/890359300.db2.gz CHGOPYBZBSXFKO-LBPRGKRZSA-N 0 0 421.379 4.049 20 5 HIBDRN COc1ccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c(OCCOC(C)C)c1 ZINC000475500600 890410689 /nfs/dbraw/zinc/41/06/89/890410689.db2.gz HETNQBRGDOPMII-UHFFFAOYSA-N 0 0 414.458 4.000 20 5 HIBDRN COc1c(C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000475527633 890452165 /nfs/dbraw/zinc/45/21/65/890452165.db2.gz DDNVKTBPCXZQKJ-UHFFFAOYSA-N 0 0 404.382 4.301 20 5 HIBDRN CCOC(=O)c1sc([C@@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)nc1C ZINC000475549683 890475323 /nfs/dbraw/zinc/47/53/23/890475323.db2.gz FOAVEDHWONDCTG-GFCCVEGCSA-N 0 0 406.464 4.036 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000475556160 890481694 /nfs/dbraw/zinc/48/16/94/890481694.db2.gz OUHKGFFQDVSNMP-UHFFFAOYSA-N 0 0 400.454 4.091 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000475555244 890482098 /nfs/dbraw/zinc/48/20/98/890482098.db2.gz PTBSRXDZGINVLZ-UHFFFAOYSA-N 0 0 415.837 4.279 20 5 HIBDRN O=C(Nc1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)nc1)c1ccccc1 ZINC000475568957 890499472 /nfs/dbraw/zinc/49/94/72/890499472.db2.gz HKMXDARMLBLUGZ-UHFFFAOYSA-N 0 0 414.368 4.456 20 5 HIBDRN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)CC3 ZINC000475575888 890506143 /nfs/dbraw/zinc/50/61/43/890506143.db2.gz SSGQMUBLIOBEFH-UHFFFAOYSA-N 0 0 422.441 4.070 20 5 HIBDRN CC(C)(C)c1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)ccc2[nH]1 ZINC000475607588 890534859 /nfs/dbraw/zinc/53/48/59/890534859.db2.gz LOOMATPPIFOHQQ-UHFFFAOYSA-N 0 0 414.487 4.105 20 5 HIBDRN COc1c(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)cccc1[N+](=O)[O-] ZINC000475608770 890536509 /nfs/dbraw/zinc/53/65/09/890536509.db2.gz OVVHUITVMKAYES-UHFFFAOYSA-N 0 0 402.410 4.077 20 5 HIBDRN COc1cc(C(=O)Nc2ccc3cnn(C(C)C)c3c2)c([N+](=O)[O-])cc1OC(F)F ZINC000504726961 913463246 /nfs/dbraw/zinc/46/32/46/913463246.db2.gz XUWBFXBTFAIWGH-UHFFFAOYSA-N 0 0 420.372 4.388 20 5 HIBDRN COC(=O)COc1ccc(CN2CC[C@H](C)C[C@@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475706054 890643430 /nfs/dbraw/zinc/64/34/30/890643430.db2.gz NFAYBENZDUVMEO-WMLDXEAASA-N 0 0 402.447 4.021 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000475726755 890665585 /nfs/dbraw/zinc/66/55/85/890665585.db2.gz BCLXYXRDHLRRCS-UHFFFAOYSA-N 0 0 420.853 4.024 20 5 HIBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000475729379 890666909 /nfs/dbraw/zinc/66/69/09/890666909.db2.gz XABLBFMEZICNLG-UHFFFAOYSA-N 0 0 408.439 4.436 20 5 HIBDRN C[C@H](CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])C(F)(F)F ZINC000475728714 890667331 /nfs/dbraw/zinc/66/73/31/890667331.db2.gz CKGYMXZRNUZUNY-LLVKDONJSA-N 0 0 403.382 4.006 20 5 HIBDRN Cc1sc(NC(=O)c2cc([N+](=O)[O-])cnc2C)nc1-c1c(F)cc(F)cc1F ZINC000504741532 913479456 /nfs/dbraw/zinc/47/94/56/913479456.db2.gz LKAUAMXZXNLZEB-UHFFFAOYSA-N 0 0 408.361 4.400 20 5 HIBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000475765810 890712497 /nfs/dbraw/zinc/71/24/97/890712497.db2.gz FKPXVWGPCAYRRG-UHFFFAOYSA-N 0 0 406.229 4.189 20 5 HIBDRN Cc1nc([C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)cs1 ZINC000475877336 890811974 /nfs/dbraw/zinc/81/19/74/890811974.db2.gz BLHUYHBNSWIWBF-OAHLLOKOSA-N 0 0 410.293 4.028 20 5 HIBDRN Cc1c(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)cccc1[N+](=O)[O-] ZINC000475883024 890816365 /nfs/dbraw/zinc/81/63/65/890816365.db2.gz LXLMBEPMYFCRQQ-QGZVFWFLSA-N 0 0 423.238 4.019 20 5 HIBDRN COc1ccc(-c2nc(COc3ccc([N+](=O)[O-])c(OC)c3)cs2)cc1OC ZINC000475883225 890816834 /nfs/dbraw/zinc/81/68/34/890816834.db2.gz VANPQAODJLNGLV-UHFFFAOYSA-N 0 0 402.428 4.323 20 5 HIBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ncc(C(=O)OC)s1 ZINC000475916646 890844591 /nfs/dbraw/zinc/84/45/91/890844591.db2.gz HNAXKIMTTWJTFS-UHFFFAOYSA-N 0 0 409.489 4.007 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)Oc3ncccc32)cc1 ZINC000475919464 890845622 /nfs/dbraw/zinc/84/56/22/890845622.db2.gz LXFDREWGWMTLQK-AWEZNQCLSA-N 0 0 421.409 4.218 20 5 HIBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cc(Cl)ccc1OCC1CC1 ZINC000475979614 890895658 /nfs/dbraw/zinc/89/56/58/890895658.db2.gz UYQAHAOJZZOWHC-UHFFFAOYSA-N 0 0 413.655 4.010 20 5 HIBDRN COc1c(C(=O)Nc2cccc(CSC3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000476071476 890999551 /nfs/dbraw/zinc/99/95/51/890999551.db2.gz NNEJALKXYBICAC-UHFFFAOYSA-N 0 0 402.472 4.268 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(CCO)cc2)cc1 ZINC000476078044 891002645 /nfs/dbraw/zinc/00/26/45/891002645.db2.gz GGUWSPFQKPSLLE-UHFFFAOYSA-N 0 0 408.410 4.183 20 5 HIBDRN COc1c(C(=O)N[C@@H](COCc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000476095429 891017241 /nfs/dbraw/zinc/01/72/41/891017241.db2.gz LYGAJJQWASHHMG-FQEVSTJZSA-N 0 0 406.438 4.291 20 5 HIBDRN Cc1ccc(-n2cccn2)cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000476119455 891042074 /nfs/dbraw/zinc/04/20/74/891042074.db2.gz IIVOLFHSFPGSJC-UHFFFAOYSA-N 0 0 420.347 4.282 20 5 HIBDRN CC(C)(C)c1nc2cc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)ccc2[nH]1 ZINC000476143586 891067087 /nfs/dbraw/zinc/06/70/87/891067087.db2.gz IIJSFENHURRJOC-UHFFFAOYSA-N 0 0 404.430 4.207 20 5 HIBDRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)Nc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)[C@H]1[C@H]3C2 ZINC000476184301 891116513 /nfs/dbraw/zinc/11/65/13/891116513.db2.gz XEYHLWKNTUCUFW-QLKGZJGRSA-N 0 0 409.442 4.274 20 5 HIBDRN O=C(c1ccccc1)c1cc(F)c(F)cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000476281178 891199844 /nfs/dbraw/zinc/19/98/44/891199844.db2.gz IQLJXMYDLKEWRT-UHFFFAOYSA-N 0 0 422.387 4.303 20 5 HIBDRN COc1cc(OCC(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)ccc1[N+](=O)[O-] ZINC000504826267 913544936 /nfs/dbraw/zinc/54/49/36/913544936.db2.gz QHLKEHDIWHJLRE-UHFFFAOYSA-N 0 0 419.484 4.423 20 5 HIBDRN O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2F)n1Cc1ccco1 ZINC000476512602 891426621 /nfs/dbraw/zinc/42/66/21/891426621.db2.gz MSOYTOVWFMEMNP-UHFFFAOYSA-N 0 0 411.414 4.377 20 5 HIBDRN CC(C)c1n[nH]c(C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000476519990 891433731 /nfs/dbraw/zinc/43/37/31/891433731.db2.gz ZPBOTWSSQALTJK-UHFFFAOYSA-N 0 0 400.357 4.005 20 5 HIBDRN COc1c(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cccc1[N+](=O)[O-] ZINC000476549637 891464786 /nfs/dbraw/zinc/46/47/86/891464786.db2.gz PNMCYHDBPKJETB-SFHVURJKSA-N 0 0 411.845 4.366 20 5 HIBDRN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000476576887 891497389 /nfs/dbraw/zinc/49/73/89/891497389.db2.gz RYTGCHQLZFYACT-LJQANCHMSA-N 0 0 400.478 4.011 20 5 HIBDRN CCCN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000476589989 891521403 /nfs/dbraw/zinc/52/14/03/891521403.db2.gz VFXPIEZXLNYBLC-MRXNPFEDSA-N 0 0 409.895 4.122 20 5 HIBDRN Cc1c(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000476699224 891655716 /nfs/dbraw/zinc/65/57/16/891655716.db2.gz NGIRXFUUFAZJQJ-UHFFFAOYSA-N 0 0 407.348 4.301 20 5 HIBDRN Cc1cncn1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000476770410 891743911 /nfs/dbraw/zinc/74/39/11/891743911.db2.gz SQXYHFJZEXCODZ-UHFFFAOYSA-N 0 0 406.442 4.369 20 5 HIBDRN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000476774972 891748732 /nfs/dbraw/zinc/74/87/32/891748732.db2.gz GXOCFABQELVWEA-MRXNPFEDSA-N 0 0 416.452 4.072 20 5 HIBDRN COC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@H]1C ZINC000476773841 891749288 /nfs/dbraw/zinc/74/92/88/891749288.db2.gz DRXJLYZVKADYDK-YOEHRIQHSA-N 0 0 414.483 4.017 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000476807948 891793687 /nfs/dbraw/zinc/79/36/87/891793687.db2.gz RQQLKKZEXYQLOH-SKDZVZGDSA-N 0 0 413.474 4.191 20 5 HIBDRN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000476807947 891793893 /nfs/dbraw/zinc/79/38/93/891793893.db2.gz RQQLKKZEXYQLOH-QBIMZIAESA-N 0 0 413.474 4.191 20 5 HIBDRN Cn1nc(CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000476860439 891827447 /nfs/dbraw/zinc/82/74/47/891827447.db2.gz ZPMXAMOFILWAGS-UHFFFAOYSA-N 0 0 415.453 4.198 20 5 HIBDRN COC(=O)CCSCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000504875697 913603042 /nfs/dbraw/zinc/60/30/42/913603042.db2.gz LSGSYRJLTRPBRR-UHFFFAOYSA-N 0 0 408.863 4.297 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000477089610 892022659 /nfs/dbraw/zinc/02/26/59/892022659.db2.gz VOXPGHUVUCLMTP-UHFFFAOYSA-N 0 0 422.462 4.292 20 5 HIBDRN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000477141056 892068186 /nfs/dbraw/zinc/06/81/86/892068186.db2.gz SKVIJSPAEIVBFH-SECBINFHSA-N 0 0 408.281 4.387 20 5 HIBDRN Cc1c(NC(=O)N[C@H]2CCCC23CCOCC3)cc(Br)cc1[N+](=O)[O-] ZINC000504895503 913628547 /nfs/dbraw/zinc/62/85/47/913628547.db2.gz OQRJJKDDMBYIAO-HNNXBMFYSA-N 0 0 412.284 4.137 20 5 HIBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000477226405 892163046 /nfs/dbraw/zinc/16/30/46/892163046.db2.gz KNOYKYXBJZGZOM-GOSISDBHSA-N 0 0 407.239 4.306 20 5 HIBDRN Cc1[nH]nc(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)c1[N+](=O)[O-] ZINC000477236921 892179728 /nfs/dbraw/zinc/17/97/28/892179728.db2.gz UJPVHELGUMSKBE-UHFFFAOYSA-N 0 0 413.139 4.127 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2F)ccc1OC1CCCC1 ZINC000477313823 892275986 /nfs/dbraw/zinc/27/59/86/892275986.db2.gz AVRURNISMVGWJX-CQSZACIVSA-N 0 0 416.449 4.484 20 5 HIBDRN CC[C@@H](C)n1ncc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C1CC1 ZINC000477324897 892290302 /nfs/dbraw/zinc/29/03/02/892290302.db2.gz SCYQNXTZSXHFGJ-OAHLLOKOSA-N 0 0 411.506 4.495 20 5 HIBDRN COC(=O)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000477345706 892313811 /nfs/dbraw/zinc/31/38/11/892313811.db2.gz DFKYTTUJZPBQGN-STQMWFEESA-N 0 0 417.487 4.178 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)CCc3cc4ccccc4o3)CC2)ccc1[N+](=O)[O-] ZINC000477354103 892319333 /nfs/dbraw/zinc/31/93/33/892319333.db2.gz TUPRXIZUJGHHRV-UHFFFAOYSA-N 0 0 423.469 4.021 20 5 HIBDRN COc1ccc([C@@H]2CCN(C(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)C2)cc1 ZINC000504920190 913656255 /nfs/dbraw/zinc/65/62/55/913656255.db2.gz SPGPJHCBWAZYJH-HXUWFJFHSA-N 0 0 423.513 4.469 20 5 HIBDRN COc1ccc([C@H]2CCN(C(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)C2)cc1 ZINC000504920180 913656629 /nfs/dbraw/zinc/65/66/29/913656629.db2.gz SLVRVLQNSBQVKW-PXNSSMCTSA-N 0 0 423.513 4.469 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2noc(CNC3(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000477516245 892533177 /nfs/dbraw/zinc/53/31/77/892533177.db2.gz YPTMDANSURXJSI-UHFFFAOYSA-N 0 0 404.348 4.443 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCc1ccc(F)cn1)c1ccccc1 ZINC000477521672 892542591 /nfs/dbraw/zinc/54/25/91/892542591.db2.gz RFSQPXRPFAOJLE-LJQANCHMSA-N 0 0 414.824 4.252 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccccc2OC)C(C)C)cc1OC ZINC000477526430 892553838 /nfs/dbraw/zinc/55/38/38/892553838.db2.gz JOLLJUNPZOOWPI-KRWDZBQOSA-N 0 0 416.474 4.008 20 5 HIBDRN COc1ccccc1C[C@H](NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(C)C ZINC000477559619 892608912 /nfs/dbraw/zinc/60/89/12/892608912.db2.gz KWKIDJORAZZKPA-INIZCTEOSA-N 0 0 418.515 4.331 20 5 HIBDRN Cc1nc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)oc1-c1ccc(Cl)cc1 ZINC000477575175 892637316 /nfs/dbraw/zinc/63/73/16/892637316.db2.gz LPHOULGLWRTBMO-UHFFFAOYSA-N 0 0 424.638 4.184 20 5 HIBDRN Cc1ccc(-c2ccc(C)c(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2)o1 ZINC000477583370 892652025 /nfs/dbraw/zinc/65/20/25/892652025.db2.gz KLHRPZYCUJVZKG-UHFFFAOYSA-N 0 0 403.398 4.305 20 5 HIBDRN CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000477617240 892717250 /nfs/dbraw/zinc/71/72/50/892717250.db2.gz LQKYNCTZUYBVAI-FCEWJHQRSA-N 0 0 401.507 4.051 20 5 HIBDRN COCC[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccco1 ZINC000504961590 913700716 /nfs/dbraw/zinc/70/07/16/913700716.db2.gz GAVQVTOEHGDVIJ-DNVCBOLYSA-N 0 0 424.457 4.264 20 5 HIBDRN C[C@@H](CCCO)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000477704898 892819013 /nfs/dbraw/zinc/81/90/13/892819013.db2.gz UPIAWWMSMVOZMO-LBPRGKRZSA-N 0 0 417.512 4.247 20 5 HIBDRN Cc1cccc(CC2(O)CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)c1 ZINC000477708905 892820275 /nfs/dbraw/zinc/82/02/75/892820275.db2.gz XVQULNUKXPIOLM-UHFFFAOYSA-N 0 0 422.403 4.132 20 5 HIBDRN Cc1c2ccccc2oc1[C@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000477714871 892823594 /nfs/dbraw/zinc/82/35/94/892823594.db2.gz RPZUUNIUMDYWIZ-ZDUSSCGKSA-N 0 0 403.460 4.073 20 5 HIBDRN COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1OC ZINC000477718851 892824894 /nfs/dbraw/zinc/82/48/94/892824894.db2.gz MRXLFUQMXYAFLC-UHFFFAOYSA-N 0 0 410.382 4.156 20 5 HIBDRN CCOc1cc(Oc2nc(C)nc3sc(C(=O)OC)c(C)c32)ccc1[N+](=O)[O-] ZINC000477718198 892825044 /nfs/dbraw/zinc/82/50/44/892825044.db2.gz XTBUEVLFCIVSMS-UHFFFAOYSA-N 0 0 403.416 4.194 20 5 HIBDRN CO[C@@]1(C)CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000477814860 892885040 /nfs/dbraw/zinc/88/50/40/892885040.db2.gz ARPZCRJNVHUBHX-ZHRRBRCNSA-N 0 0 412.490 4.194 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cn1 ZINC000477896592 892963768 /nfs/dbraw/zinc/96/37/68/892963768.db2.gz XDKSDOXWDUMFDD-AWEZNQCLSA-N 0 0 422.466 4.361 20 5 HIBDRN O=C1C[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)CN1c1cccc2ccccc21 ZINC000504975623 913717357 /nfs/dbraw/zinc/71/73/57/913717357.db2.gz URYFEOPNBCUPCT-MRXNPFEDSA-N 0 0 400.394 4.319 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000477980156 893077851 /nfs/dbraw/zinc/07/78/51/893077851.db2.gz BDMHLTCPWXJPAG-PKOBYXMFSA-N 0 0 408.483 4.178 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000477991099 893093407 /nfs/dbraw/zinc/09/34/07/893093407.db2.gz QMAITZOGRQUCGZ-DLBZAZTESA-N 0 0 416.359 4.085 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(-c3cccc(CS(=O)(=O)c4ccccc4)c3)n2)c1 ZINC000504991682 913737416 /nfs/dbraw/zinc/73/74/16/913737416.db2.gz OKJTYBRRTFNJQI-UHFFFAOYSA-N 0 0 421.434 4.286 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc(OCc2cscn2)c1 ZINC000504994471 913740270 /nfs/dbraw/zinc/74/02/70/913740270.db2.gz PKEMVQWXUQUPRJ-UHFFFAOYSA-N 0 0 401.469 4.361 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000478057166 893213734 /nfs/dbraw/zinc/21/37/34/893213734.db2.gz YXWHVLGLLSDION-UHFFFAOYSA-N 0 0 411.483 4.015 20 5 HIBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000478081558 893246192 /nfs/dbraw/zinc/24/61/92/893246192.db2.gz VQEFJMNBEXBJBN-UHFFFAOYSA-N 0 0 406.320 4.392 20 5 HIBDRN CC(C)CC1(C(=O)N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCCC1 ZINC000478087454 893250531 /nfs/dbraw/zinc/25/05/31/893250531.db2.gz KLNXOPWDVWXBCX-UHFFFAOYSA-N 0 0 413.522 4.116 20 5 HIBDRN CCCOc1cc(NC(=O)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OCCC ZINC000478143400 893315304 /nfs/dbraw/zinc/31/53/04/893315304.db2.gz LTEAZWFKMGQCSS-UHFFFAOYSA-N 0 0 416.430 4.082 20 5 HIBDRN O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000478201940 893363108 /nfs/dbraw/zinc/36/31/08/893363108.db2.gz CQILXBDAPPUHME-DLBZAZTESA-N 0 0 417.412 4.082 20 5 HIBDRN COc1cc(OCC(=O)N2CCC(c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000478224909 893386251 /nfs/dbraw/zinc/38/62/51/893386251.db2.gz IVADKWUJAATJDX-UHFFFAOYSA-N 0 0 404.850 4.042 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000478226545 893388110 /nfs/dbraw/zinc/38/81/10/893388110.db2.gz ABZLYNMNRTVMSF-UHFFFAOYSA-N 0 0 415.298 4.396 20 5 HIBDRN Cn1cc(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000478251847 893427337 /nfs/dbraw/zinc/42/73/37/893427337.db2.gz NFCJSYMPGYEDKS-AEFFLSMTSA-N 0 0 408.433 4.201 20 5 HIBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478262262 893448136 /nfs/dbraw/zinc/44/81/36/893448136.db2.gz INGHMWLUOVWFMG-UHFFFAOYSA-N 0 0 402.834 4.039 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000478270930 893465924 /nfs/dbraw/zinc/46/59/24/893465924.db2.gz WURNBSDWGULQEV-CZUORRHYSA-N 0 0 421.266 4.491 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOC2(C1)CCCCCC2 ZINC000478287167 893492749 /nfs/dbraw/zinc/49/27/49/893492749.db2.gz YVTSWDQMERUETE-UHFFFAOYSA-N 0 0 401.488 4.284 20 5 HIBDRN COc1ccc(CSCC(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000478293393 893506054 /nfs/dbraw/zinc/50/60/54/893506054.db2.gz QYSFOWZMHMAZMB-AEFFLSMTSA-N 0 0 418.490 4.428 20 5 HIBDRN Cc1ccc(NCc2ccc([N+](=O)[O-])cc2F)cc1NC(=O)CN1CCCCC1 ZINC000478304096 893523383 /nfs/dbraw/zinc/52/33/83/893523383.db2.gz OWSAARJOFATTEL-UHFFFAOYSA-N 0 0 400.454 4.079 20 5 HIBDRN CC[C@H]1CN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000478335090 893569263 /nfs/dbraw/zinc/56/92/63/893569263.db2.gz FZNLXRCTRDXJJA-UWJYYQICSA-N 0 0 422.547 4.143 20 5 HIBDRN Cc1sc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000478497052 893813151 /nfs/dbraw/zinc/81/31/51/893813151.db2.gz YSEMTUPMPITPLW-NSHDSACASA-N 0 0 408.785 4.100 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)cc([N+](=O)[O-])c1 ZINC000478500940 893815335 /nfs/dbraw/zinc/81/53/35/893815335.db2.gz PHAFLINETPMPRD-UHFFFAOYSA-N 0 0 409.398 4.296 20 5 HIBDRN COc1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(OC)c(C)c1OC ZINC000478583043 893859856 /nfs/dbraw/zinc/85/98/56/893859856.db2.gz IYWUFGLSZILLAZ-UHFFFAOYSA-N 0 0 402.447 4.479 20 5 HIBDRN CCc1cc(Br)ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000478606203 893871542 /nfs/dbraw/zinc/87/15/42/893871542.db2.gz IPGODGUHEPWUOK-UHFFFAOYSA-N 0 0 415.247 4.358 20 5 HIBDRN COc1cccc(F)c1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000478649447 893895040 /nfs/dbraw/zinc/89/50/40/893895040.db2.gz DLYAKBBECLDUMN-KBPBESRZSA-N 0 0 401.438 4.477 20 5 HIBDRN CCOc1cc(OCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)ccc1[N+](=O)[O-] ZINC000478717822 893987525 /nfs/dbraw/zinc/98/75/25/893987525.db2.gz JEOGYWWVYMXYMF-UHFFFAOYSA-N 0 0 424.457 4.122 20 5 HIBDRN C[C@H](Sc1nnc(Cc2ccccc2)[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000478739185 894014492 /nfs/dbraw/zinc/01/44/92/894014492.db2.gz KNRJCHYIDUOPJD-LBPRGKRZSA-N 0 0 408.443 4.207 20 5 HIBDRN COc1cc(C(=O)Nc2cc(C3CCCCC3)nn2C)c([N+](=O)[O-])cc1OC(F)F ZINC000478764795 894040557 /nfs/dbraw/zinc/04/05/57/894040557.db2.gz UTOBCTNHMTZQIH-UHFFFAOYSA-N 0 0 424.404 4.238 20 5 HIBDRN Cc1c(CNC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000478818186 894091205 /nfs/dbraw/zinc/09/12/05/894091205.db2.gz ZMURIUITQVIUSK-ZDUSSCGKSA-N 0 0 411.380 4.405 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)cc([N+](=O)[O-])c1C ZINC000478884275 894162958 /nfs/dbraw/zinc/16/29/58/894162958.db2.gz MEDNDKMWUFGUJT-UHFFFAOYSA-N 0 0 414.336 4.114 20 5 HIBDRN Cc1c(CNC(=O)N[C@H]2CCc3c2cccc3Br)cccc1[N+](=O)[O-] ZINC000478887259 894167529 /nfs/dbraw/zinc/16/75/29/894167529.db2.gz QZFXEWBAIWJDKJ-INIZCTEOSA-N 0 0 404.264 4.152 20 5 HIBDRN C[C@H]1[C@@H](C(F)(F)F)CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000478915152 894195190 /nfs/dbraw/zinc/19/51/90/894195190.db2.gz IEWAUTTWFJGFCI-CBAPKCEASA-N 0 0 421.224 4.253 20 5 HIBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(C)(C)C2=CCCCC2)ccc1[N+](=O)[O-] ZINC000478917543 894197457 /nfs/dbraw/zinc/19/74/57/894197457.db2.gz MURKEBSUFNFTMV-HXUWFJFHSA-N 0 0 413.518 4.151 20 5 HIBDRN O=C(Nc1ccc(Cl)cc1Br)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000478945107 894227809 /nfs/dbraw/zinc/22/78/09/894227809.db2.gz SVELMIFIQYMDNJ-UHFFFAOYSA-N 0 0 413.611 4.034 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000479027809 894291830 /nfs/dbraw/zinc/29/18/30/894291830.db2.gz ZXQZHHWPXFSSAT-KRWDZBQOSA-N 0 0 403.504 4.257 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3Cc4ccccc4C4(CC4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000479061940 894321336 /nfs/dbraw/zinc/32/13/36/894321336.db2.gz XFDHKDWPTBIFHK-UHFFFAOYSA-N 0 0 416.481 4.144 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1c2ccccc2oc1C(=O)c1ccco1 ZINC000479074106 894338427 /nfs/dbraw/zinc/33/84/27/894338427.db2.gz ZANWLHMICCPBOX-UHFFFAOYSA-N 0 0 408.341 4.485 20 5 HIBDRN COC(=O)c1ccc([C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC000479120257 894388663 /nfs/dbraw/zinc/38/86/63/894388663.db2.gz VBTJKAJOYYRDIG-AWEZNQCLSA-N 0 0 416.739 4.068 20 5 HIBDRN O=C(N[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 ZINC000505182637 913866837 /nfs/dbraw/zinc/86/68/37/913866837.db2.gz GAXGUJLSZBXYSP-FQEVSTJZSA-N 0 0 423.856 4.036 20 5 HIBDRN Cc1cc(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC000479158634 894428718 /nfs/dbraw/zinc/42/87/18/894428718.db2.gz HNEOFSPAZZXMRU-UHFFFAOYSA-N 0 0 404.728 4.315 20 5 HIBDRN O=C(CSCCCCc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000479175199 894443126 /nfs/dbraw/zinc/44/31/26/894443126.db2.gz MDYULNREQUNTKH-UHFFFAOYSA-N 0 0 416.499 4.451 20 5 HIBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(C2CC2)c2cc(F)ccc21 ZINC000479181049 894449195 /nfs/dbraw/zinc/44/91/95/894449195.db2.gz LIUWJGPPUGIBTO-UHFFFAOYSA-N 0 0 424.457 4.487 20 5 HIBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000505191092 913873059 /nfs/dbraw/zinc/87/30/59/913873059.db2.gz SKUMITJEYVRIPW-OALUTQOASA-N 0 0 402.472 4.008 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])cc1OCC ZINC000479229887 894492882 /nfs/dbraw/zinc/49/28/82/894492882.db2.gz CJRCWRPYABCTRI-HNNXBMFYSA-N 0 0 415.446 4.297 20 5 HIBDRN COC(=O)[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)c(Cl)c1 ZINC000479241773 894505173 /nfs/dbraw/zinc/50/51/73/894505173.db2.gz KGFGUCZEFIVDJP-GOSISDBHSA-N 0 0 411.241 4.028 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccccc2O)CC1 ZINC000479250817 894516611 /nfs/dbraw/zinc/51/66/11/894516611.db2.gz RNGOJRZJUMBFRB-UHFFFAOYSA-N 0 0 415.515 4.011 20 5 HIBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000479277288 894552951 /nfs/dbraw/zinc/55/29/51/894552951.db2.gz DFDOCSOHQBOSDJ-LJQANCHMSA-N 0 0 419.840 4.175 20 5 HIBDRN COc1cc(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000479282692 894561079 /nfs/dbraw/zinc/56/10/79/894561079.db2.gz QHIMNQXYTXOOKX-GFCCVEGCSA-N 0 0 414.327 4.302 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000505218845 913889893 /nfs/dbraw/zinc/88/98/93/913889893.db2.gz PQANVRLTBCGMDA-MRFFXTKBSA-N 0 0 402.422 4.158 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000479372717 894673418 /nfs/dbraw/zinc/67/34/18/894673418.db2.gz FNVVYKADZVENTI-UHFFFAOYSA-N 0 0 411.428 4.215 20 5 HIBDRN CCn1c2ccccc2nc1SCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479374290 894674797 /nfs/dbraw/zinc/67/47/97/894674797.db2.gz KRBIMQFLWAJONN-UHFFFAOYSA-N 0 0 418.906 4.069 20 5 HIBDRN CCC(=O)c1ccc(N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c([N+](=O)[O-])c1 ZINC000479384966 894686134 /nfs/dbraw/zinc/68/61/34/894686134.db2.gz XYHVFJBMDZFCGD-CQSZACIVSA-N 0 0 411.458 4.018 20 5 HIBDRN CCC(=O)c1ccc(NCc2cccc(NC(=O)c3ccccn3)c2)c([N+](=O)[O-])c1 ZINC000479394133 894697581 /nfs/dbraw/zinc/69/75/81/894697581.db2.gz MEJRIQWJCABMJN-UHFFFAOYSA-N 0 0 404.426 4.447 20 5 HIBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC000479396896 894699637 /nfs/dbraw/zinc/69/96/37/894699637.db2.gz JVZXXLKODLYTLW-CYBMUJFWSA-N 0 0 400.435 4.171 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000479420094 894730179 /nfs/dbraw/zinc/73/01/79/894730179.db2.gz IZPFKCHFOLKMTN-UHFFFAOYSA-N 0 0 424.526 4.498 20 5 HIBDRN COc1cc(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000479420064 894730263 /nfs/dbraw/zinc/73/02/63/894730263.db2.gz HXSUJQUJTNKJBI-MRXNPFEDSA-N 0 0 400.406 4.117 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC000479444054 894760632 /nfs/dbraw/zinc/76/06/32/894760632.db2.gz ILDKBBFLWFFPND-IXFSTUDKSA-N 0 0 423.513 4.291 20 5 HIBDRN CCS(=O)(=O)c1ccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)s1 ZINC000479448089 894765027 /nfs/dbraw/zinc/76/50/27/894765027.db2.gz RRSYCWBDUDGOHG-HXUWFJFHSA-N 0 0 416.524 4.329 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000479460945 894783308 /nfs/dbraw/zinc/78/33/08/894783308.db2.gz WAJIFLLIKVKRAL-UHFFFAOYSA-N 0 0 407.300 4.316 20 5 HIBDRN CC(C)C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2ccccc2[nH]1 ZINC000479462349 894783814 /nfs/dbraw/zinc/78/38/14/894783814.db2.gz YZTMKFZOWXFNHZ-GOSISDBHSA-N 0 0 418.457 4.174 20 5 HIBDRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000479485598 894807925 /nfs/dbraw/zinc/80/79/25/894807925.db2.gz KOSCLCICVOCFHV-VIFPVBQESA-N 0 0 418.397 4.083 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000479539444 894843125 /nfs/dbraw/zinc/84/31/25/894843125.db2.gz HXSDZLAERCLKEM-INIZCTEOSA-N 0 0 404.513 4.300 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000479608309 894882110 /nfs/dbraw/zinc/88/21/10/894882110.db2.gz DFRLHZQFAOOQSP-CYBMUJFWSA-N 0 0 404.850 4.160 20 5 HIBDRN COc1ccc(OCCSCc2ccc(Cl)cc2-n2cncn2)c([N+](=O)[O-])c1 ZINC000479621907 894891160 /nfs/dbraw/zinc/89/11/60/894891160.db2.gz XSWTVLJUFKISEZ-UHFFFAOYSA-N 0 0 420.878 4.150 20 5 HIBDRN Cc1nc([C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c2ccc(Cl)cc2)no1 ZINC000479626539 894892653 /nfs/dbraw/zinc/89/26/53/894892653.db2.gz YCICRZAKRHKRAX-QGZVFWFLSA-N 0 0 415.837 4.468 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(OC(F)F)c3ncccc23)cc([N+](=O)[O-])c1C ZINC000479630542 894897775 /nfs/dbraw/zinc/89/77/75/894897775.db2.gz VYNSYYXRLQQVFD-UHFFFAOYSA-N 0 0 403.341 4.314 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)cc([N+](=O)[O-])c1C ZINC000479667815 894945107 /nfs/dbraw/zinc/94/51/07/894945107.db2.gz VWCCYIDBWPTTCQ-INIZCTEOSA-N 0 0 400.431 4.030 20 5 HIBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)cc1OC ZINC000479671635 894951432 /nfs/dbraw/zinc/95/14/32/894951432.db2.gz GTEZNOAMEHHRKY-BLVKFPJESA-N 0 0 422.865 4.162 20 5 HIBDRN Cc1c(CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000479724855 895023074 /nfs/dbraw/zinc/02/30/74/895023074.db2.gz WTHQWOFACZWAIZ-FUHWJXTLSA-N 0 0 407.829 4.025 20 5 HIBDRN C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000505274912 913931351 /nfs/dbraw/zinc/93/13/51/913931351.db2.gz PQQNZLLNJHZOKU-KGLIPLIRSA-N 0 0 414.462 4.278 20 5 HIBDRN C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1(c2ccccc2)CCCC1 ZINC000479782342 895084031 /nfs/dbraw/zinc/08/40/31/895084031.db2.gz USTMHDHRAZKKDM-OAHLLOKOSA-N 0 0 405.454 4.479 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)cc1SC ZINC000479787797 895091343 /nfs/dbraw/zinc/09/13/43/895091343.db2.gz MNWBHWAQXLJWMW-ADLMAVQZSA-N 0 0 424.906 4.485 20 5 HIBDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000479808504 895117049 /nfs/dbraw/zinc/11/70/49/895117049.db2.gz BWMYOIOVVQMPGR-MPBGBICISA-N 0 0 401.850 4.164 20 5 HIBDRN COc1cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000479853169 895186603 /nfs/dbraw/zinc/18/66/03/895186603.db2.gz TTYATILYEVIPEX-UHFFFAOYSA-N 0 0 404.850 4.285 20 5 HIBDRN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000479856093 895189074 /nfs/dbraw/zinc/18/90/74/895189074.db2.gz JGUJFUYFNPODEC-UHFFFAOYSA-N 0 0 419.372 4.359 20 5 HIBDRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000479926400 895274592 /nfs/dbraw/zinc/27/45/92/895274592.db2.gz INYYRNBEVVJILR-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COC(=O)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(SC)cc1 ZINC000480003417 895355394 /nfs/dbraw/zinc/35/53/94/895355394.db2.gz XERVVFOHNBGRCI-QGZVFWFLSA-N 0 0 403.460 4.051 20 5 HIBDRN CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(OCc2nc(C(C)(C)C)no2)cc1 ZINC000480009200 895361074 /nfs/dbraw/zinc/36/10/74/895361074.db2.gz HEXQJBRXOWFCID-UHFFFAOYSA-N 0 0 401.423 4.171 20 5 HIBDRN Cc1c(CNC(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000480053119 895400773 /nfs/dbraw/zinc/40/07/73/895400773.db2.gz CNZXSJUIXHBPJM-BFUOFWGJSA-N 0 0 403.866 4.228 20 5 HIBDRN Cc1c(CNC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000480055292 895402091 /nfs/dbraw/zinc/40/20/91/895402091.db2.gz LSFHWDFKSVGWKY-UHFFFAOYSA-N 0 0 402.398 4.113 20 5 HIBDRN COc1ccc(Br)cc1CN(C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000480059599 895407243 /nfs/dbraw/zinc/40/72/43/895407243.db2.gz PWNOGYHYUXKFGT-UHFFFAOYSA-N 0 0 422.279 4.016 20 5 HIBDRN Cc1c(CNC(=O)N(C)CCCc2cc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000480070127 895420428 /nfs/dbraw/zinc/42/04/28/895420428.db2.gz MIMYHBIYCAQYTJ-UHFFFAOYSA-N 0 0 408.458 4.332 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCOc3c(F)cccc32)cc1SC ZINC000480225972 895631905 /nfs/dbraw/zinc/63/19/05/895631905.db2.gz FLLZLGYHGUOFBI-CQSZACIVSA-N 0 0 406.435 4.108 20 5 HIBDRN COc1ccc(NC(=O)NCc2cc(F)c(C(F)(F)F)cc2F)cc1[N+](=O)[O-] ZINC000480295671 895700553 /nfs/dbraw/zinc/70/05/53/895700553.db2.gz RBHUZTSCIKVZMH-UHFFFAOYSA-N 0 0 405.279 4.222 20 5 HIBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000505331051 913995513 /nfs/dbraw/zinc/99/55/13/913995513.db2.gz NYEPVPJBGVAOHE-GOSISDBHSA-N 0 0 422.441 4.168 20 5 HIBDRN COc1cc(OC)cc([C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)c2nccn2C)c1 ZINC000480330772 895733809 /nfs/dbraw/zinc/73/38/09/895733809.db2.gz GCYUOEOOUOWNRN-VFNWGFHPSA-N 0 0 410.474 4.094 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@@H]1C(C)C ZINC000480341944 895745783 /nfs/dbraw/zinc/74/57/83/895745783.db2.gz ZIJYORBFXXUWBS-AWEZNQCLSA-N 0 0 416.259 4.014 20 5 HIBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000480397584 895802335 /nfs/dbraw/zinc/80/23/35/895802335.db2.gz WYGMIBVRFHJFBS-FQEVSTJZSA-N 0 0 419.384 4.250 20 5 HIBDRN COCc1c(Br)cccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000505340007 914003825 /nfs/dbraw/zinc/00/38/25/914003825.db2.gz QXAPJQKPPCYNSJ-UHFFFAOYSA-N 0 0 418.247 4.097 20 5 HIBDRN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480432509 895825357 /nfs/dbraw/zinc/82/53/57/895825357.db2.gz AJHMJBSURNTOBU-CRAIPNDOSA-N 0 0 421.236 4.378 20 5 HIBDRN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480434047 895826149 /nfs/dbraw/zinc/82/61/49/895826149.db2.gz FNPZTHVRZBKTFZ-HZPDHXFCSA-N 0 0 415.660 4.285 20 5 HIBDRN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480434102 895826202 /nfs/dbraw/zinc/82/62/02/895826202.db2.gz GCBFANWFFXKBPJ-FUHWJXTLSA-N 0 0 420.252 4.113 20 5 HIBDRN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480434045 895826448 /nfs/dbraw/zinc/82/64/48/895826448.db2.gz FNPZTHVRZBKTFZ-CVEARBPZSA-N 0 0 415.660 4.285 20 5 HIBDRN COc1cc(C(=O)N2CC(C)(C)[C@H]2C(C)C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000480437293 895828476 /nfs/dbraw/zinc/82/84/76/895828476.db2.gz XPNGSSHAKCHMEQ-GOSISDBHSA-N 0 0 419.503 4.146 20 5 HIBDRN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480445983 895835126 /nfs/dbraw/zinc/83/51/26/895835126.db2.gz XTLJRCFGIAZAGF-WMZOPIPTSA-N 0 0 420.252 4.113 20 5 HIBDRN Cn1ccnc1C(=O)c1ccc(Sc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000480479609 895858073 /nfs/dbraw/zinc/85/80/73/895858073.db2.gz HPUULTHVNGXLJZ-UHFFFAOYSA-N 0 0 418.272 4.473 20 5 HIBDRN COc1cc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000480532738 895894494 /nfs/dbraw/zinc/89/44/94/895894494.db2.gz VZTFEKZQOSTMQC-BUXKBTBVSA-N 0 0 404.850 4.167 20 5 HIBDRN COc1cc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])c1C ZINC000480550414 895910695 /nfs/dbraw/zinc/91/06/95/895910695.db2.gz HXXWDKHVJGFXJP-SFHVURJKSA-N 0 0 424.375 4.144 20 5 HIBDRN COc1cc(C(=O)Nc2nc(-c3c[nH]c4ncccc34)c(C)s2)cc([N+](=O)[O-])c1C ZINC000480581379 895941844 /nfs/dbraw/zinc/94/18/44/895941844.db2.gz BLCUPIQOZXEAFC-UHFFFAOYSA-N 0 0 423.454 4.472 20 5 HIBDRN COc1cc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c1C ZINC000480584995 895946983 /nfs/dbraw/zinc/94/69/83/895946983.db2.gz TUVMUQJXQWGODT-PXNSSMCTSA-N 0 0 402.422 4.043 20 5 HIBDRN COCCCC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000480609579 895974989 /nfs/dbraw/zinc/97/49/89/895974989.db2.gz LULVWVLIPOFOLL-INIZCTEOSA-N 0 0 412.895 4.085 20 5 HIBDRN Cc1cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000480687270 896048851 /nfs/dbraw/zinc/04/88/51/896048851.db2.gz WZTVGRNIKKCQMP-UHFFFAOYSA-N 0 0 413.865 4.449 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000480701658 896064079 /nfs/dbraw/zinc/06/40/79/896064079.db2.gz KZAQHROFXREUGS-UHFFFAOYSA-N 0 0 414.206 4.342 20 5 HIBDRN CSc1cccc(C(=O)N2CCc3cc(Br)ccc3C2)c1[N+](=O)[O-] ZINC000480977782 896313611 /nfs/dbraw/zinc/31/36/11/896313611.db2.gz BDMLCPRHUNBZMY-UHFFFAOYSA-N 0 0 407.289 4.278 20 5 HIBDRN CC[C@@H](NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000481016927 896348388 /nfs/dbraw/zinc/34/83/88/896348388.db2.gz KOCMCLKCTYZBJY-SNVBAGLBSA-N 0 0 423.438 4.117 20 5 HIBDRN COc1ccc(CSCC(=O)NCC2(c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000481022349 896351719 /nfs/dbraw/zinc/35/17/19/896351719.db2.gz YVUBWLSODFRRKM-UHFFFAOYSA-N 0 0 420.918 4.338 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000505399001 914063999 /nfs/dbraw/zinc/06/39/99/914063999.db2.gz BGIOKQCLHYLKGB-HXUWFJFHSA-N 0 0 403.866 4.388 20 5 HIBDRN CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000481100356 896423856 /nfs/dbraw/zinc/42/38/56/896423856.db2.gz HHYQJKXDOUVPGF-SUMWQHHRSA-N 0 0 420.412 4.176 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cccc2OC)s1 ZINC000481109087 896430909 /nfs/dbraw/zinc/43/09/09/896430909.db2.gz UMAFQGRDPGZHGK-UHFFFAOYSA-N 0 0 419.484 4.204 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000481143002 896470060 /nfs/dbraw/zinc/47/00/60/896470060.db2.gz ODKRQTOVWBNEOV-UHFFFAOYSA-N 0 0 419.503 4.251 20 5 HIBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(Cc1c(F)cccc1F)C1CC1 ZINC000481155022 896488014 /nfs/dbraw/zinc/48/80/14/896488014.db2.gz JVKPOXCHUCUPNA-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN O=C(N[C@@H]1CCCc2c(O)cccc21)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000481165952 896497380 /nfs/dbraw/zinc/49/73/80/896497380.db2.gz DQUNVSNYOVYQQD-LJQANCHMSA-N 0 0 420.415 4.473 20 5 HIBDRN CN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000481200894 896554750 /nfs/dbraw/zinc/55/47/50/896554750.db2.gz PHBJCABTRVRIRP-IRXDYDNUSA-N 0 0 410.808 4.093 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000505415480 914079211 /nfs/dbraw/zinc/07/92/11/914079211.db2.gz OVSZENSWBIRVJD-QGZVFWFLSA-N 0 0 413.302 4.317 20 5 HIBDRN CCn1c(SCc2cnn(-c3ccccc3)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481346092 896715748 /nfs/dbraw/zinc/71/57/48/896715748.db2.gz SXRPPMBLXUTYSN-UHFFFAOYSA-N 0 0 406.471 4.351 20 5 HIBDRN CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000481346380 896716274 /nfs/dbraw/zinc/71/62/74/896716274.db2.gz MWKQZKVHSOVGLF-ZBFHGGJFSA-N 0 0 417.535 4.145 20 5 HIBDRN CCS[C@@H](C)c1noc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)n1 ZINC000481359716 896736091 /nfs/dbraw/zinc/73/60/91/896736091.db2.gz QGMCANFMDQDZAE-NSHDSACASA-N 0 0 420.520 4.363 20 5 HIBDRN CCn1c(SCC(=O)N(C)C2CCC(C)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481362028 896741077 /nfs/dbraw/zinc/74/10/77/896741077.db2.gz CYXKRMYDTPDWKK-UHFFFAOYSA-N 0 0 417.535 4.002 20 5 HIBDRN COc1cc(CN[C@H](c2nc3ccccc3n2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000481423971 896826298 /nfs/dbraw/zinc/82/62/98/896826298.db2.gz LJLKNYNHQOOITD-QFIPXVFZSA-N 0 0 402.454 4.369 20 5 HIBDRN CCOc1ccc(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000505440133 914104710 /nfs/dbraw/zinc/10/47/10/914104710.db2.gz MRPJDDOHNWPXMI-HNNXBMFYSA-N 0 0 404.291 4.305 20 5 HIBDRN Cc1c(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cccc1[N+](=O)[O-] ZINC000481460780 896854136 /nfs/dbraw/zinc/85/41/36/896854136.db2.gz CCOLYKGQQDYAFO-UHFFFAOYSA-N 0 0 413.437 4.081 20 5 HIBDRN Cc1c(CNC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000481463398 896855296 /nfs/dbraw/zinc/85/52/96/896855296.db2.gz FMKMHAABFMCLDT-GFCCVEGCSA-N 0 0 419.275 4.191 20 5 HIBDRN CC(C)C[C@@H](C)n1nccc1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000481465704 896857784 /nfs/dbraw/zinc/85/77/84/896857784.db2.gz LJNGQGOEPATVBU-MRXNPFEDSA-N 0 0 415.494 4.474 20 5 HIBDRN Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481502097 896875718 /nfs/dbraw/zinc/87/57/18/896875718.db2.gz NYUREKBAMDQNDG-UHFFFAOYSA-N 0 0 416.275 4.314 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000481599084 896977713 /nfs/dbraw/zinc/97/77/13/896977713.db2.gz OPVFKFBKWKKMDC-IBGZPJMESA-N 0 0 421.856 4.098 20 5 HIBDRN COc1cc(C(=O)N(C)Cc2ccc(F)cc2Br)cc([N+](=O)[O-])c1C ZINC000481676081 897058147 /nfs/dbraw/zinc/05/81/47/897058147.db2.gz MFXBGWMLKLNZIP-UHFFFAOYSA-N 0 0 411.227 4.086 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000481714416 897106235 /nfs/dbraw/zinc/10/62/35/897106235.db2.gz UJRBWRGTCRBMQH-UHFFFAOYSA-N 0 0 401.488 4.231 20 5 HIBDRN COc1ccc(C(=O)N(C)Cc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000481718964 897113992 /nfs/dbraw/zinc/11/39/92/897113992.db2.gz OLRMQXCAUGXZJR-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)[S@@]1=O ZINC000481733335 897127592 /nfs/dbraw/zinc/12/75/92/897127592.db2.gz FAKKOLPVRAKZPX-BBUILTEJSA-N 0 0 422.890 4.022 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)NC(C)C)cc1 ZINC000481769831 897154980 /nfs/dbraw/zinc/15/49/80/897154980.db2.gz LIFCCAJCZLONNK-UHFFFAOYSA-N 0 0 401.488 4.026 20 5 HIBDRN CCOc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nnc2-c2ccco2)cc1 ZINC000481820742 897193295 /nfs/dbraw/zinc/19/32/95/897193295.db2.gz RHCZMPGVJAVJEX-UHFFFAOYSA-N 0 0 409.427 4.380 20 5 HIBDRN Cc1cc(Sc2nnc(COc3ccccc3)n2Cc2ccco2)ncc1[N+](=O)[O-] ZINC000481823440 897194615 /nfs/dbraw/zinc/19/46/15/897194615.db2.gz KDMVRMOULPUWDN-UHFFFAOYSA-N 0 0 423.454 4.261 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(N2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000481828511 897198749 /nfs/dbraw/zinc/19/87/49/897198749.db2.gz CCCCGBPZGUNXSA-UHFFFAOYSA-N 0 0 418.396 4.094 20 5 HIBDRN O=C(NCc1cn2ccsc2n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000481830294 897198977 /nfs/dbraw/zinc/19/89/77/897198977.db2.gz NUIOPKWKQPYLNP-UHFFFAOYSA-N 0 0 410.480 4.385 20 5 HIBDRN CCn1c(Sc2ccnc(-c3ccccc3)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481839305 897205315 /nfs/dbraw/zinc/20/53/15/897205315.db2.gz SRHZCWATLPHPQF-UHFFFAOYSA-N 0 0 404.455 4.481 20 5 HIBDRN CCn1c(Sc2cc(C)nc(-c3ccncc3)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481840881 897207953 /nfs/dbraw/zinc/20/79/53/897207953.db2.gz OXVPJBNJEXGZLL-UHFFFAOYSA-N 0 0 419.470 4.185 20 5 HIBDRN CCc1c(NC(=O)c2cccc([N+](=O)[O-])c2N)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000481860548 897227781 /nfs/dbraw/zinc/22/77/81/897227781.db2.gz ZIKRFZVSNSYQMI-UHFFFAOYSA-N 0 0 419.363 4.196 20 5 HIBDRN COC(=O)c1cc(OCc2ccc(C(=O)Nc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000481903476 897283243 /nfs/dbraw/zinc/28/32/43/897283243.db2.gz VTXODGXVSCLSJW-UHFFFAOYSA-N 0 0 406.394 4.213 20 5 HIBDRN CCOc1cc(NC(=O)c2cnn(-c3ccccc3C)c2)c([N+](=O)[O-])cc1OCC ZINC000481924790 897309244 /nfs/dbraw/zinc/30/92/44/897309244.db2.gz QSWKLABRCAPDQB-UHFFFAOYSA-N 0 0 410.430 4.139 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000481969528 897360959 /nfs/dbraw/zinc/36/09/59/897360959.db2.gz VUBPSNRYTZBLIR-UHFFFAOYSA-N 0 0 414.487 4.125 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(COCc2ccco2)c1 ZINC000481975190 897367687 /nfs/dbraw/zinc/36/76/87/897367687.db2.gz FUPXLOUXISLEPR-UHFFFAOYSA-N 0 0 416.455 4.322 20 5 HIBDRN COc1cc(Cl)c(Cl)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000482030718 897439829 /nfs/dbraw/zinc/43/98/29/897439829.db2.gz GWLSZXFSUIZOAQ-UHFFFAOYSA-N 0 0 407.213 4.348 20 5 HIBDRN CCc1ccc([C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CCO2)cc1 ZINC000482049451 897474804 /nfs/dbraw/zinc/47/48/04/897474804.db2.gz QTMAVVAVBCGKPE-HXUWFJFHSA-N 0 0 423.494 4.494 20 5 HIBDRN 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400.357 4.031 20 5 HIBDRN Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000483254728 898895839 /nfs/dbraw/zinc/89/58/39/898895839.db2.gz HUIYTQAHTYMXIS-KRWDZBQOSA-N 0 0 420.469 4.216 20 5 HIBDRN CCN(Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000505589775 914297792 /nfs/dbraw/zinc/29/77/92/914297792.db2.gz HJOYBELBSGDPHK-KRWDZBQOSA-N 0 0 420.556 4.063 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCOC3(CCCC3)C2)cc1 ZINC000483309504 898939062 /nfs/dbraw/zinc/93/90/62/898939062.db2.gz SMUBEARVUZJZMO-UHFFFAOYSA-N 0 0 412.442 4.181 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCOC4(CCCC4)C3)cc2[N+](=O)[O-])n1 ZINC000483317222 898945301 /nfs/dbraw/zinc/94/53/01/898945301.db2.gz XOEAROJGHSRHPQ-UHFFFAOYSA-N 0 0 419.528 4.296 20 5 HIBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483348323 898980698 /nfs/dbraw/zinc/98/06/98/898980698.db2.gz BEDPNEQHFZBDMY-CYBMUJFWSA-N 0 0 416.279 4.131 20 5 HIBDRN 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899257295 /nfs/dbraw/zinc/25/72/95/899257295.db2.gz WUJOXCMKOGLSNY-UHFFFAOYSA-N 0 0 415.789 4.251 20 5 HIBDRN O=C(N[C@H](CO)c1ccsc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000505634071 914334160 /nfs/dbraw/zinc/33/41/60/914334160.db2.gz QOFYVLVGIQZPDF-GOSISDBHSA-N 0 0 400.481 4.271 20 5 HIBDRN Cc1ccc(C)c(OC2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CC2)c1 ZINC000483669743 899330998 /nfs/dbraw/zinc/33/09/98/899330998.db2.gz HKKMGDIIEYJLQZ-UHFFFAOYSA-N 0 0 420.469 4.081 20 5 HIBDRN C[C@@H]1CCCCN(C(=O)c2ccc(C(=O)N3CCCC[C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000483716197 899374417 /nfs/dbraw/zinc/37/44/17/899374417.db2.gz ULGDKWBXPFBLNG-DLBZAZTESA-N 0 0 401.507 4.119 20 5 HIBDRN CCOc1cc(C(=O)N(C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000483782379 899449951 /nfs/dbraw/zinc/44/99/51/899449951.db2.gz FGHBDRFMRNAWEE-UHFFFAOYSA-N 0 0 414.336 4.177 20 5 HIBDRN Cc1c(CNC(=O)C(=O)Nc2ccccc2Sc2ccccc2)cccc1[N+](=O)[O-] ZINC000483822145 899499576 /nfs/dbraw/zinc/49/95/76/899499576.db2.gz NNOSMEWPQLGJGD-UHFFFAOYSA-N 0 0 421.478 4.309 20 5 HIBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000483883381 899558397 /nfs/dbraw/zinc/55/83/97/899558397.db2.gz JGKWJQBGVPPLPH-HNNXBMFYSA-N 0 0 402.209 4.286 20 5 HIBDRN C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000483905062 899574335 /nfs/dbraw/zinc/57/43/35/899574335.db2.gz ADNLIXHGKOSPFI-ZDUSSCGKSA-N 0 0 418.906 4.317 20 5 HIBDRN COc1cc(OC)c(OC)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000484074780 899707717 /nfs/dbraw/zinc/70/77/17/899707717.db2.gz QIEJDIIZEQVECL-UHFFFAOYSA-N 0 0 403.435 4.063 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000484083035 899716416 /nfs/dbraw/zinc/71/64/16/899716416.db2.gz RKPWRJYOTBNJGZ-QAPCUYQASA-N 0 0 415.877 4.104 20 5 HIBDRN CC(C)CN(C(=O)CCc1ccnn1C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000484171775 899790849 /nfs/dbraw/zinc/79/08/49/899790849.db2.gz HCZWFGWSPYRLRL-UHFFFAOYSA-N 0 0 413.503 4.074 20 5 HIBDRN 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900692662 /nfs/dbraw/zinc/69/26/62/900692662.db2.gz CIPANWDMAMGLJT-ZWKOTPCHSA-N 0 0 400.454 4.022 20 5 HIBDRN C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)cn2)CCO1 ZINC000485398549 900695675 /nfs/dbraw/zinc/69/56/75/900695675.db2.gz LCPULYJBHGGQPF-OAHLLOKOSA-N 0 0 423.448 4.028 20 5 HIBDRN CN(C)C(=O)c1cccc(CCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c1 ZINC000485404222 900701751 /nfs/dbraw/zinc/70/17/51/900701751.db2.gz YFGPGZOAZLOCGI-UHFFFAOYSA-N 0 0 408.433 4.152 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000485420313 900718549 /nfs/dbraw/zinc/71/85/49/900718549.db2.gz HUVWAPDMPKAONZ-CYBMUJFWSA-N 0 0 408.241 4.202 20 5 HIBDRN CC(C)(C)c1ccc(NC(=O)N2CCn3c(nnc3C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000485432471 900728897 /nfs/dbraw/zinc/72/88/97/900728897.db2.gz OXZMDWFROMYXES-UHFFFAOYSA-N 0 0 412.494 4.189 20 5 HIBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCO[C@H](C2CC2)C1 ZINC000485464104 900758671 /nfs/dbraw/zinc/75/86/71/900758671.db2.gz 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ZINC000485589959 900852267 /nfs/dbraw/zinc/85/22/67/900852267.db2.gz HPKBJEAPRJZTPN-XOBRGWDASA-N 0 0 411.845 4.316 20 5 HIBDRN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485588987 900852455 /nfs/dbraw/zinc/85/24/55/900852455.db2.gz HJPZFJKLBNENBH-CYBMUJFWSA-N 0 0 404.291 4.272 20 5 HIBDRN COc1cc(C(=O)N[C@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])cc1OC(F)F ZINC000485645389 900896283 /nfs/dbraw/zinc/89/62/83/900896283.db2.gz QQVZASNRUFKALX-SECBINFHSA-N 0 0 423.397 4.306 20 5 HIBDRN CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cc(F)cc(Br)c1 ZINC000485673094 900923252 /nfs/dbraw/zinc/92/32/52/900923252.db2.gz QXXBLMPSYUBQQM-MRXNPFEDSA-N 0 0 413.218 4.446 20 5 HIBDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000485685302 900935501 /nfs/dbraw/zinc/93/55/01/900935501.db2.gz PROCEHNQWSYDTG-UHFFFAOYSA-N 0 0 413.474 4.169 20 5 HIBDRN CC(C)(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(F)cc1 ZINC000485710619 900960344 /nfs/dbraw/zinc/96/03/44/900960344.db2.gz 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ZINC000485838777 901084839 /nfs/dbraw/zinc/08/48/39/901084839.db2.gz ACJZZZPJVWGICB-UHFFFAOYSA-N 0 0 422.832 4.180 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(F)cc2c1OCOC2 ZINC000485850232 901094181 /nfs/dbraw/zinc/09/41/81/901094181.db2.gz VHQFMCIRZLPTBH-UHFFFAOYSA-N 0 0 420.462 4.279 20 5 HIBDRN C[C@H]1CCCN(Cc2csc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000485883886 901119495 /nfs/dbraw/zinc/11/94/95/901119495.db2.gz QDEMSVYPORPTMV-AWEZNQCLSA-N 0 0 402.520 4.200 20 5 HIBDRN O=[N+]([O-])c1cccc(-c2noc(CN3CCC(c4c(F)cccc4F)CC3)n2)c1 ZINC000485892359 901124212 /nfs/dbraw/zinc/12/42/12/901124212.db2.gz WUXSHXIVAFRWLF-UHFFFAOYSA-N 0 0 400.385 4.303 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(OCC2CC2)CC1 ZINC000485899707 901130771 /nfs/dbraw/zinc/13/07/71/901130771.db2.gz UTUGTUBOJJEXGN-UHFFFAOYSA-N 0 0 410.470 4.205 20 5 HIBDRN CC(=O)N(C)c1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000485914410 901140851 /nfs/dbraw/zinc/14/08/51/901140851.db2.gz 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Cc1ccc(F)c(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1Br ZINC000486158993 901346411 /nfs/dbraw/zinc/34/64/11/901346411.db2.gz YVCNSGFWVQZYOX-UHFFFAOYSA-N 0 0 401.619 4.388 20 5 HIBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N(CCC(F)(F)F)CC1CC1 ZINC000486180968 901366557 /nfs/dbraw/zinc/36/65/57/901366557.db2.gz XOUMKFQXZVWYML-UHFFFAOYSA-N 0 0 401.204 4.223 20 5 HIBDRN Cc1cccc(CN(Cc2ccccn2)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000486186437 901372164 /nfs/dbraw/zinc/37/21/64/901372164.db2.gz BFJPXADVPPHRQR-UHFFFAOYSA-N 0 0 411.408 4.348 20 5 HIBDRN COC(=O)c1cc(NCc2nc(-c3ccc(Cl)cc3)no2)c(C)c([N+](=O)[O-])c1 ZINC000486213641 901397837 /nfs/dbraw/zinc/39/78/37/901397837.db2.gz JJMWHNAILAZZSI-UHFFFAOYSA-N 0 0 402.794 4.005 20 5 HIBDRN COC(=O)c1cc(NCC(=O)Nc2c(C)cc(C)cc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000486235207 901417572 /nfs/dbraw/zinc/41/75/72/901417572.db2.gz ZSRWICXYRVLDCF-UHFFFAOYSA-N 0 0 405.838 4.011 20 5 HIBDRN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000486278505 901461451 /nfs/dbraw/zinc/46/14/51/901461451.db2.gz FDOORYWCLJVDQL-UHFFFAOYSA-N 0 0 414.425 4.244 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1ccc(Cl)cc1 ZINC000486283489 901467097 /nfs/dbraw/zinc/46/70/97/901467097.db2.gz YBLYEYSZDPOJDO-UHFFFAOYSA-N 0 0 408.907 4.349 20 5 HIBDRN COc1cc(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000486286584 901470064 /nfs/dbraw/zinc/47/00/64/901470064.db2.gz VAXHZYKOHDTPSZ-UHFFFAOYSA-N 0 0 420.368 4.440 20 5 HIBDRN Cc1cc(Br)cnc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486323794 901500919 /nfs/dbraw/zinc/50/09/19/901500919.db2.gz MAPMQZCJTYXLIP-UHFFFAOYSA-N 0 0 421.070 4.137 20 5 HIBDRN Cc1cccc(CN(Cc2ccccn2)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000486325298 901501705 /nfs/dbraw/zinc/50/17/05/901501705.db2.gz UXKCOYWHCJJKAK-UHFFFAOYSA-N 0 0 401.426 4.017 20 5 HIBDRN COc1cccc(C(C)(C)CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000486328143 901504372 /nfs/dbraw/zinc/50/43/72/901504372.db2.gz SSNRXYCBBQWERT-UHFFFAOYSA-N 0 0 413.293 4.135 20 5 HIBDRN O=C(c1c(F)ccc(Br)c1F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000486333188 901508966 /nfs/dbraw/zinc/50/89/66/901508966.db2.gz IECOLFRTRKJORI-UHFFFAOYSA-N 0 0 411.202 4.440 20 5 HIBDRN CSc1cccc(C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)c1[N+](=O)[O-] ZINC000486429733 901588923 /nfs/dbraw/zinc/58/89/23/901588923.db2.gz GFUMNHJUEHEYKL-UHFFFAOYSA-N 0 0 409.467 4.087 20 5 HIBDRN CSc1cccc(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)c1[N+](=O)[O-] ZINC000486430359 901589981 /nfs/dbraw/zinc/58/99/81/901589981.db2.gz HSXRYHJUFCFINB-UHFFFAOYSA-N 0 0 411.405 4.346 20 5 HIBDRN CCSCc1ccnc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000486465616 901626213 /nfs/dbraw/zinc/62/62/13/901626213.db2.gz WTCUFDRVMLMPCR-UHFFFAOYSA-N 0 0 402.295 4.319 20 5 HIBDRN CCc1cc(N(CCOC)Cc2scnc2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486473004 901632579 /nfs/dbraw/zinc/63/25/79/901632579.db2.gz UNSMQAFMOVBRMJ-UHFFFAOYSA-N 0 0 413.503 4.032 20 5 HIBDRN O=C(NC1CC1)c1ccc(NCc2ccnc(Oc3ccccc3F)c2)c([N+](=O)[O-])c1 ZINC000486484924 901640754 /nfs/dbraw/zinc/64/07/54/901640754.db2.gz IKRHGDWTSBDSDD-UHFFFAOYSA-N 0 0 422.416 4.426 20 5 HIBDRN Cn1c(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)nc2cc(F)ccc21 ZINC000486555154 901701217 /nfs/dbraw/zinc/70/12/17/901701217.db2.gz BIUIXRSTNRXZQH-UHFFFAOYSA-N 0 0 404.376 4.099 20 5 HIBDRN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486583540 901723711 /nfs/dbraw/zinc/72/37/11/901723711.db2.gz FAIAOHBLZWDDBU-UHFFFAOYSA-N 0 0 422.485 4.467 20 5 HIBDRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000486642820 901770426 /nfs/dbraw/zinc/77/04/26/901770426.db2.gz YZCAGHCNJCUSHV-HTQZYQBOSA-N 0 0 423.800 4.368 20 5 HIBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000486675120 901789330 /nfs/dbraw/zinc/78/93/30/901789330.db2.gz JVVLTJPDKBWLNW-UHFFFAOYSA-N 0 0 422.363 4.284 20 5 HIBDRN Cn1cc(CCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc21 ZINC000486708564 901805358 /nfs/dbraw/zinc/80/53/58/901805358.db2.gz 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CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCc2ccncc2)C1 ZINC000486742655 901825400 /nfs/dbraw/zinc/82/54/00/901825400.db2.gz PNYGXSCQHZYLCK-SFHVURJKSA-N 0 0 415.515 4.169 20 5 HIBDRN O=C(CSc1nc2ccccc2o1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486749645 901828200 /nfs/dbraw/zinc/82/82/00/901828200.db2.gz PDXGHPKZQHQRCZ-UHFFFAOYSA-N 0 0 411.361 4.163 20 5 HIBDRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1Cl ZINC000486792706 901857607 /nfs/dbraw/zinc/85/76/07/901857607.db2.gz VTQXEHDYJVNCJF-LBPRGKRZSA-N 0 0 416.865 4.097 20 5 HIBDRN Cc1ccnc(-c2n[nH]c([C@H](C)NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)c1 ZINC000486798400 901860627 /nfs/dbraw/zinc/86/06/27/901860627.db2.gz CAVWBFQTQVLQAO-ZDUSSCGKSA-N 0 0 421.486 4.058 20 5 HIBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@@](C)=O)c1 ZINC000486801328 901863073 /nfs/dbraw/zinc/86/30/73/901863073.db2.gz CKVIIEFRLKQSGV-HHHXNRCGSA-N 0 0 406.529 4.474 20 5 HIBDRN Cc1ccc([C@@H]2C[C@@H](C)N(S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)C2)cc1 ZINC000486828638 901879860 /nfs/dbraw/zinc/87/98/60/901879860.db2.gz UGSCQAVFWCOUQQ-NVXWUHKLSA-N 0 0 411.483 4.018 20 5 HIBDRN Cc1ccc([C@@H]2C[C@H](C)N(S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)C2)cc1 ZINC000486828637 901880282 /nfs/dbraw/zinc/88/02/82/901880282.db2.gz UGSCQAVFWCOUQQ-DOTOQJQBSA-N 0 0 411.483 4.018 20 5 HIBDRN C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000486856150 901901007 /nfs/dbraw/zinc/90/10/07/901901007.db2.gz WIRHALDGMPZAHM-ZDUSSCGKSA-N 0 0 411.845 4.149 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC=C(c3cccc(C)c3)CC2)c(C)c([N+](=O)[O-])c1 ZINC000486858410 901903272 /nfs/dbraw/zinc/90/32/72/901903272.db2.gz ODXVFVRYZSVNHV-UHFFFAOYSA-N 0 0 409.442 4.319 20 5 HIBDRN O=C(Nc1cccc(Cl)c1Br)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486859190 901905122 /nfs/dbraw/zinc/90/51/22/901905122.db2.gz YBXJYCHVRTUWOH-UHFFFAOYSA-N 0 0 421.638 4.449 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486876893 901922381 /nfs/dbraw/zinc/92/23/81/901922381.db2.gz DPWBSNYODJQXLI-DOTOQJQBSA-N 0 0 411.458 4.175 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c(C)c([N+](=O)[O-])c1 ZINC000486877968 901923510 /nfs/dbraw/zinc/92/35/10/901923510.db2.gz DLTJYBDAKBFZDI-PXAZEXFGSA-N 0 0 401.419 4.288 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c(C)c([N+](=O)[O-])c1 ZINC000486877971 901923657 /nfs/dbraw/zinc/92/36/57/901923657.db2.gz DLTJYBDAKBFZDI-SJCJKPOMSA-N 0 0 401.419 4.288 20 5 HIBDRN COC(=O)c1cc(NC(=O)NC2(c3ccc(F)cc3F)CCC2)c(C)c([N+](=O)[O-])c1 ZINC000486880665 901927524 /nfs/dbraw/zinc/92/75/24/901927524.db2.gz DRMJQXIULUAPJY-UHFFFAOYSA-N 0 0 419.384 4.169 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486882262 901928140 /nfs/dbraw/zinc/92/81/40/901928140.db2.gz OEKNLEBLQDPMRR-RHSMWYFYSA-N 0 0 411.458 4.408 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486882266 901928375 /nfs/dbraw/zinc/92/83/75/901928375.db2.gz OEKNLEBLQDPMRR-YOEHRIQHSA-N 0 0 411.458 4.408 20 5 HIBDRN CCN(Cc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486882145 901928942 /nfs/dbraw/zinc/92/89/42/901928942.db2.gz ORIUJUJPUFYFDN-UHFFFAOYSA-N 0 0 405.838 4.397 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000486884429 901931692 /nfs/dbraw/zinc/93/16/92/901931692.db2.gz RWQTYMDHXBUKNC-DOJUMQAQSA-N 0 0 409.442 4.400 20 5 HIBDRN COC(=O)c1cc(NC(=O)NCc2cccc(-c3ccccn3)c2)c(C)c([N+](=O)[O-])c1 ZINC000486892820 901935997 /nfs/dbraw/zinc/93/59/97/901935997.db2.gz BVAAOQGPYNRITE-UHFFFAOYSA-N 0 0 420.425 4.074 20 5 HIBDRN COC(=O)c1cc(NC(=O)N[C@H](C)c2ccccc2OC(F)F)c(C)c([N+](=O)[O-])c1 ZINC000486899351 901942595 /nfs/dbraw/zinc/94/25/95/901942595.db2.gz FSADZSVWCULYFT-LLVKDONJSA-N 0 0 423.372 4.174 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 ZINC000486899288 901942812 /nfs/dbraw/zinc/94/28/12/901942812.db2.gz QENJHGBWFDJTQC-UHFFFAOYSA-N 0 0 424.375 4.058 20 5 HIBDRN COC(=O)c1cc(NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)c(C)c([N+](=O)[O-])c1 ZINC000486902198 901947487 /nfs/dbraw/zinc/94/74/87/901947487.db2.gz WBKKHXKIBSVTSC-CWTRNNRKSA-N 0 0 415.421 4.444 20 5 HIBDRN COc1cccc(Oc2ncccc2CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000486928530 901971990 /nfs/dbraw/zinc/97/19/90/901971990.db2.gz SWVBGKLZEOKWGD-UHFFFAOYSA-N 0 0 419.397 4.453 20 5 HIBDRN CCOc1cc(NCCC(=O)Nc2cc(C)c(Cl)cc2OC)ccc1[N+](=O)[O-] ZINC000486958085 901989508 /nfs/dbraw/zinc/98/95/08/901989508.db2.gz QHWSEACGQBEAPH-UHFFFAOYSA-N 0 0 407.854 4.405 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000487000708 902008841 /nfs/dbraw/zinc/00/88/41/902008841.db2.gz MOWKFVGNDTZMMA-HNNXBMFYSA-N 0 0 402.516 4.429 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCOc2c(Cl)cccc21 ZINC000487025547 902024095 /nfs/dbraw/zinc/02/40/95/902024095.db2.gz ILRUMXHXNQHSHF-OAHLLOKOSA-N 0 0 410.257 4.267 20 5 HIBDRN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487029347 902027966 /nfs/dbraw/zinc/02/79/66/902027966.db2.gz DMOAOQQIDRVORG-UHFFFAOYSA-N 0 0 417.878 4.046 20 5 HIBDRN CCCC1CCC(N(C)C(=O)c2cc(OC)c(OCCOC)cc2[N+](=O)[O-])CC1 ZINC000487055122 902040186 /nfs/dbraw/zinc/04/01/86/902040186.db2.gz GEOJKWCKOHUSSC-UHFFFAOYSA-N 0 0 408.495 4.060 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000487075599 902047963 /nfs/dbraw/zinc/04/79/63/902047963.db2.gz OXSMMVYMTTXEKP-AWEZNQCLSA-N 0 0 404.463 4.102 20 5 HIBDRN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1cnc2ccccc2c1 ZINC000487112898 902062961 /nfs/dbraw/zinc/06/29/61/902062961.db2.gz HUADOVVXEGRNKB-UHFFFAOYSA-N 0 0 418.409 4.084 20 5 HIBDRN Cc1noc([C@H]2CCCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C2)n1 ZINC000487213987 902103466 /nfs/dbraw/zinc/10/34/66/902103466.db2.gz DFQOUBCFRNMSBG-INIZCTEOSA-N 0 0 424.482 4.457 20 5 HIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC1CCCCC1 ZINC000487260356 902124240 /nfs/dbraw/zinc/12/42/40/902124240.db2.gz YGKSFYWBSWPCGY-AWEZNQCLSA-N 0 0 408.520 4.339 20 5 HIBDRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000487263231 902125594 /nfs/dbraw/zinc/12/55/94/902125594.db2.gz LAWMAWYSEXEVRY-FQEVSTJZSA-N 0 0 416.861 4.086 20 5 HIBDRN O=C(Nc1ccnn1C[C@H]1CCOC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487447714 902213948 /nfs/dbraw/zinc/21/39/48/902213948.db2.gz YHTGHOXTBJZIAC-OAHLLOKOSA-N 0 0 424.482 4.231 20 5 HIBDRN CCOC(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cn2)cc([N+](=O)[O-])c1 ZINC000487468007 902220982 /nfs/dbraw/zinc/22/09/82/902220982.db2.gz DWWULLJRJWTXHE-UHFFFAOYSA-N 0 0 407.382 4.211 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 ZINC000487530577 902237009 /nfs/dbraw/zinc/23/70/09/902237009.db2.gz QOWFYBHAQGCVBR-OAHLLOKOSA-N 0 0 415.515 4.352 20 5 HIBDRN CCNC(=O)Nc1ccc(C)c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000487658859 902279337 /nfs/dbraw/zinc/27/93/37/902279337.db2.gz LDYCCXXFUKEEAB-UHFFFAOYSA-N 0 0 420.853 4.106 20 5 HIBDRN Cc1ccc(Cc2cnc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)s2)cc1F ZINC000487662609 902281283 /nfs/dbraw/zinc/28/12/83/902281283.db2.gz RZCZELZUSAMWCV-UHFFFAOYSA-N 0 0 415.402 4.071 20 5 HIBDRN Cc1cccc(OCCCNC(=O)c2sc(Br)cc2[N+](=O)[O-])c1C ZINC000487680849 902289629 /nfs/dbraw/zinc/28/96/29/902289629.db2.gz VQBHWMYNEHUMKY-UHFFFAOYSA-N 0 0 413.293 4.235 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1csc(-c2ccccc2)n1 ZINC000487820816 902386154 /nfs/dbraw/zinc/38/61/54/902386154.db2.gz SNVFNPBNXXNFFT-UHFFFAOYSA-N 0 0 416.890 4.414 20 5 HIBDRN CC(C)Cn1ncc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C1CC1 ZINC000487833457 902395566 /nfs/dbraw/zinc/39/55/66/902395566.db2.gz GTURQPMCZNWBGJ-LBPRGKRZSA-N 0 0 405.886 4.417 20 5 HIBDRN O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N(Cc1ccccc1)c1ccccc1 ZINC000487878957 902423430 /nfs/dbraw/zinc/42/34/30/902423430.db2.gz WTIJTBWSVICYRR-UHFFFAOYSA-N 0 0 413.433 4.143 20 5 HIBDRN COCCCOc1ccc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000487954086 902479945 /nfs/dbraw/zinc/47/99/45/902479945.db2.gz JRJZQDUCSMJGGC-OAHLLOKOSA-N 0 0 417.462 4.210 20 5 HIBDRN C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000487977663 902502859 /nfs/dbraw/zinc/50/28/59/902502859.db2.gz KMPMEHPBLCOAJX-HNNXBMFYSA-N 0 0 411.458 4.019 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2Br)cc1[N+](=O)[O-] ZINC000487983188 902506459 /nfs/dbraw/zinc/50/64/59/902506459.db2.gz UJJOYRZZUDLRKQ-CHWSQXEVSA-N 0 0 407.264 4.310 20 5 HIBDRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)n1 ZINC000488002087 902523049 /nfs/dbraw/zinc/52/30/49/902523049.db2.gz WQPDDZAIPNFGMW-CQSZACIVSA-N 0 0 413.865 4.245 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000488006358 902525079 /nfs/dbraw/zinc/52/50/79/902525079.db2.gz FNMISBKAZXBFRX-INIZCTEOSA-N 0 0 410.474 4.025 20 5 HIBDRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488033644 902551966 /nfs/dbraw/zinc/55/19/66/902551966.db2.gz UFOPAIRZEUYDNQ-KZULUSFZSA-N 0 0 409.845 4.005 20 5 HIBDRN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488036393 902553431 /nfs/dbraw/zinc/55/34/31/902553431.db2.gz RARPTJXILBQTMQ-PXNSSMCTSA-N 0 0 411.502 4.234 20 5 HIBDRN CC(C)(NC(=O)NCc1cc(F)cc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000488039827 902555715 /nfs/dbraw/zinc/55/57/15/902555715.db2.gz DFXXYSIKDXTVOZ-UHFFFAOYSA-N 0 0 410.243 4.231 20 5 HIBDRN Cc1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n(-c2cc(C)ccn2)n1 ZINC000488196091 902678901 /nfs/dbraw/zinc/67/89/01/902678901.db2.gz LTTNKZZYSLHROU-UHFFFAOYSA-N 0 0 420.454 4.168 20 5 HIBDRN COc1cc(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000488237340 902712769 /nfs/dbraw/zinc/71/27/69/902712769.db2.gz UMQRXAVBNVRLNM-HXUWFJFHSA-N 0 0 420.465 4.368 20 5 HIBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(Cc1ccco1)c1ccc(F)cc1F ZINC000488241186 902716373 /nfs/dbraw/zinc/71/63/73/902716373.db2.gz WNIGONONDGPRBW-UHFFFAOYSA-N 0 0 424.363 4.499 20 5 HIBDRN Cc1ccc(-c2nnco2)cc1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000488247393 902721314 /nfs/dbraw/zinc/72/13/14/902721314.db2.gz JFZRRCGOCBBIPN-UHFFFAOYSA-N 0 0 421.335 4.294 20 5 HIBDRN CC[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000488267682 902736150 /nfs/dbraw/zinc/73/61/50/902736150.db2.gz AJBHDZBYDFZVAC-AWEZNQCLSA-N 0 0 401.854 4.118 20 5 HIBDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488285431 902748328 /nfs/dbraw/zinc/74/83/28/902748328.db2.gz DRCTWHMKSACJLQ-UHFFFAOYSA-N 0 0 421.881 4.040 20 5 HIBDRN O=C(NCCCc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488380109 902790223 /nfs/dbraw/zinc/79/02/23/902790223.db2.gz AFHOBQOKGQTPDK-UHFFFAOYSA-N 0 0 400.866 4.204 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000505990524 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ZINC000491511689 904631647 /nfs/dbraw/zinc/63/16/47/904631647.db2.gz IJTKOQCDICCPAN-MRXNPFEDSA-N 0 0 417.409 4.029 20 5 HIBDRN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)cc1[N+](=O)[O-] ZINC000491583097 904662474 /nfs/dbraw/zinc/66/24/74/904662474.db2.gz GGOZDKPQOOVUOB-UHFFFAOYSA-N 0 0 422.513 4.015 20 5 HIBDRN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2)C1 ZINC000491663787 904683127 /nfs/dbraw/zinc/68/31/27/904683127.db2.gz KBLAHNOWSMPAQG-QHCPKHFHSA-N 0 0 418.449 4.388 20 5 HIBDRN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc(OC)c1C(C)C ZINC000491810020 904698312 /nfs/dbraw/zinc/69/83/12/904698312.db2.gz JNNZPNOKMGJFQW-UHFFFAOYSA-N 0 0 408.476 4.153 20 5 HIBDRN CCOc1cc(NC(=O)N(C)Cc2ccc(OC)c(C)c2)c([N+](=O)[O-])cc1OCC ZINC000491867192 904716210 /nfs/dbraw/zinc/71/62/10/904716210.db2.gz QPWIBEDHJHXNQP-UHFFFAOYSA-N 0 0 417.462 4.373 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000491903307 904725886 /nfs/dbraw/zinc/72/58/86/904725886.db2.gz VILIPTDWVKOCQQ-INIZCTEOSA-N 0 0 416.359 4.477 20 5 HIBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nc(-c2ccccc2)no1 ZINC000491958334 904744437 /nfs/dbraw/zinc/74/44/37/904744437.db2.gz YFHOONTVQCMESW-NSHDSACASA-N 0 0 420.347 4.197 20 5 HIBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nc(-c2ccccc2)no1 ZINC000491958318 904744611 /nfs/dbraw/zinc/74/46/11/904744611.db2.gz YFHOONTVQCMESW-LLVKDONJSA-N 0 0 420.347 4.197 20 5 HIBDRN CCOc1cc(CSCc2nc(-c3ccc4c(c3)OCO4)no2)ccc1[N+](=O)[O-] ZINC000492176477 904809866 /nfs/dbraw/zinc/80/98/66/904809866.db2.gz SNNBIOOZBRRQNH-UHFFFAOYSA-N 0 0 415.427 4.206 20 5 HIBDRN CC1CCN(C(=O)c2ccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)CC1 ZINC000492197319 904813899 /nfs/dbraw/zinc/81/38/99/904813899.db2.gz ZWQWEJLRMIRDKO-UHFFFAOYSA-N 0 0 406.442 4.201 20 5 HIBDRN CCOc1cc(CSc2nc3sc4c(c3c(=O)n2C)CCC4)ccc1[N+](=O)[O-] ZINC000492310095 904832710 /nfs/dbraw/zinc/83/27/10/904832710.db2.gz FSGSVSDLHHKVKU-UHFFFAOYSA-N 0 0 417.512 4.083 20 5 HIBDRN COC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 ZINC000492355720 904838946 /nfs/dbraw/zinc/83/89/46/904838946.db2.gz XQVQXXJQYNXOEW-UHFFFAOYSA-N 0 0 419.437 4.175 20 5 HIBDRN CC(C)c1nc(-c2ccccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000492692090 904888948 /nfs/dbraw/zinc/88/89/48/904888948.db2.gz OQRQZRGDGSMROB-UHFFFAOYSA-N 0 0 406.446 4.330 20 5 HIBDRN COc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Br ZINC000492771399 904899779 /nfs/dbraw/zinc/89/97/79/904899779.db2.gz MMEYZALUSIUYAR-UHFFFAOYSA-N 0 0 405.248 4.171 20 5 HIBDRN Cc1ccc(S[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)c2ccccc2)c(C)c1 ZINC000492789018 904908621 /nfs/dbraw/zinc/90/86/21/904908621.db2.gz KHHOICUZPBLLCP-HXUWFJFHSA-N 0 0 410.499 4.058 20 5 HIBDRN CCOc1cc(CN[C@@H](c2ccc(C(=O)OC)cc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492818388 904912740 /nfs/dbraw/zinc/91/27/40/904912740.db2.gz NXARWGYHFZHTRB-KRWDZBQOSA-N 0 0 412.364 4.173 20 5 HIBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000492885337 904936360 /nfs/dbraw/zinc/93/63/60/904936360.db2.gz COARIBIHDWCBHV-GOSISDBHSA-N 0 0 416.890 4.095 20 5 HIBDRN COc1cccc(NC2CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000493006163 904982492 /nfs/dbraw/zinc/98/24/92/904982492.db2.gz VBCZOTJUFZEIAZ-INIZCTEOSA-N 0 0 412.490 4.259 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000493104594 905019636 /nfs/dbraw/zinc/01/96/36/905019636.db2.gz JSERTRANJHEFQT-QGZVFWFLSA-N 0 0 414.481 4.021 20 5 HIBDRN CC[C@H](NC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000493133077 905027596 /nfs/dbraw/zinc/02/75/96/905027596.db2.gz OEGDYCWYLZYFKQ-XLIONFOSSA-N 0 0 410.474 4.106 20 5 HIBDRN COc1ccc(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC(F)F ZINC000506253151 914865702 /nfs/dbraw/zinc/86/57/02/914865702.db2.gz JSEOGRWSUPLEFC-UHFFFAOYSA-N 0 0 422.409 4.392 20 5 HIBDRN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000493184495 905044856 /nfs/dbraw/zinc/04/48/56/905044856.db2.gz WFIHLUAOHJDUHV-AWEZNQCLSA-N 0 0 410.499 4.431 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000493181938 905045318 /nfs/dbraw/zinc/04/53/18/905045318.db2.gz PLPPJTQTAHIZKT-LBPRGKRZSA-N 0 0 416.865 4.332 20 5 HIBDRN Cc1ccc([C@H](NCc2ccccc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000493222929 905056459 /nfs/dbraw/zinc/05/64/59/905056459.db2.gz BJZJZQMIHKNSHI-HSZRJFAPSA-N 0 0 424.522 4.494 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000493251656 905068514 /nfs/dbraw/zinc/06/85/14/905068514.db2.gz VDXOVQGDZFMURL-JTQLQIEISA-N 0 0 420.821 4.198 20 5 HIBDRN O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000493256557 905071649 /nfs/dbraw/zinc/07/16/49/905071649.db2.gz NUSLNGOFOLWOSV-HXUWFJFHSA-N 0 0 419.437 4.082 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1OC ZINC000506258949 914868711 /nfs/dbraw/zinc/86/87/11/914868711.db2.gz MKOJCDXXAQZNNB-CQSZACIVSA-N 0 0 422.441 4.432 20 5 HIBDRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000506270922 914875311 /nfs/dbraw/zinc/87/53/11/914875311.db2.gz WLDPOGOASBCAEY-CALCHBBNSA-N 0 0 424.501 4.077 20 5 HIBDRN O=C(NC1CC1)c1ccc(N2CCn3c(cc4cc(Cl)ccc43)C2)c([N+](=O)[O-])c1 ZINC000493380277 905098438 /nfs/dbraw/zinc/09/84/38/905098438.db2.gz DXDMKYFCGGWOPI-UHFFFAOYSA-N 0 0 410.861 4.115 20 5 HIBDRN COc1ccc([C@H](C)NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1F ZINC000493412359 905111405 /nfs/dbraw/zinc/11/14/05/905111405.db2.gz NYKKFNMNSJEOQB-CABCVRRESA-N 0 0 415.465 4.470 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000506265959 914871907 /nfs/dbraw/zinc/87/19/07/914871907.db2.gz BKDKEOZPULXHJR-HXUWFJFHSA-N 0 0 407.474 4.124 20 5 HIBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000506265958 914872302 /nfs/dbraw/zinc/87/23/02/914872302.db2.gz BKDKEOZPULXHJR-FQEVSTJZSA-N 0 0 407.474 4.124 20 5 HIBDRN CSc1ccc(C(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)cc1[N+](=O)[O-] ZINC000506265994 914872446 /nfs/dbraw/zinc/87/24/46/914872446.db2.gz BXKGTOWZICKIAF-INIZCTEOSA-N 0 0 400.504 4.436 20 5 HIBDRN O=C(CN[C@H](c1c(F)cccc1F)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000506268225 914872889 /nfs/dbraw/zinc/87/28/89/914872889.db2.gz HNYJMCGBHGJZEY-OAHLLOKOSA-N 0 0 423.725 4.358 20 5 HIBDRN C[C@H](Nc1cccc(NC(=O)C2CC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493553548 905161018 /nfs/dbraw/zinc/16/10/18/905161018.db2.gz MMVNFXCHFRVQRK-NSHDSACASA-N 0 0 402.838 4.036 20 5 HIBDRN COc1cc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000493571474 905163620 /nfs/dbraw/zinc/16/36/20/905163620.db2.gz CGQRGILRFDRWAS-AWEZNQCLSA-N 0 0 420.290 4.238 20 5 HIBDRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)nc21 ZINC000493669737 905187691 /nfs/dbraw/zinc/18/76/91/905187691.db2.gz PEWMQTZQQOZRFI-LLVKDONJSA-N 0 0 421.500 4.009 20 5 HIBDRN NC(=O)C[C@H](NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000512388802 921124752 /nfs/dbraw/zinc/12/47/52/921124752.db2.gz ZNPOGIDETGRYNT-KRWDZBQOSA-N 0 0 421.478 4.093 20 5 HIBDRN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)nc21 ZINC000493912826 905265700 /nfs/dbraw/zinc/26/57/00/905265700.db2.gz QCPQXYRSIFKPSV-ZDUSSCGKSA-N 0 0 417.487 4.212 20 5 HIBDRN CCCOc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000493916220 905267187 /nfs/dbraw/zinc/26/71/87/905267187.db2.gz HURWLWABWGLUDV-CYBMUJFWSA-N 0 0 419.865 4.161 20 5 HIBDRN O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000494005840 905345621 /nfs/dbraw/zinc/34/56/21/905345621.db2.gz DESCWFGMHBXDGZ-UHFFFAOYSA-N 0 0 405.336 4.176 20 5 HIBDRN Cc1sc(C(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000494149227 905486546 /nfs/dbraw/zinc/48/65/46/905486546.db2.gz MZMRLAMYPKKCFP-QAPCUYQASA-N 0 0 409.458 4.197 20 5 HIBDRN O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000494185875 905521358 /nfs/dbraw/zinc/52/13/58/905521358.db2.gz NNDWXGRLIQCJIZ-HNNXBMFYSA-N 0 0 421.910 4.028 20 5 HIBDRN Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512428054 921154574 /nfs/dbraw/zinc/15/45/74/921154574.db2.gz OWFXKGVUHBSNLX-NVAPOSRTSA-N 0 0 408.502 4.450 20 5 HIBDRN COc1ccc([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F ZINC000494201828 905535724 /nfs/dbraw/zinc/53/57/24/905535724.db2.gz PBHCBRCEQNBTKV-SNVBAGLBSA-N 0 0 415.343 4.322 20 5 HIBDRN C[C@@H]1CCCCCN1C(=O)c1ccc(C(=O)N2CCCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000512436646 921159766 /nfs/dbraw/zinc/15/97/66/921159766.db2.gz MMIYCNUDURANFI-DLBZAZTESA-N 0 0 401.507 4.404 20 5 HIBDRN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc1CO ZINC000494325558 905638724 /nfs/dbraw/zinc/63/87/24/905638724.db2.gz JAVVOZWPRBOZIM-UHFFFAOYSA-N 0 0 404.488 4.486 20 5 HIBDRN CCc1nc(C)c(CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)o1 ZINC000494359222 905662161 /nfs/dbraw/zinc/66/21/61/905662161.db2.gz RBUDKQDWDLSKBJ-UHFFFAOYSA-N 0 0 411.458 4.331 20 5 HIBDRN CCc1nc(C)c(CNCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])o1 ZINC000494367744 905665831 /nfs/dbraw/zinc/66/58/31/905665831.db2.gz KQLUPDYSVIUCFG-UHFFFAOYSA-N 0 0 411.458 4.331 20 5 HIBDRN CN(c1ccccc1)c1ccc(CNc2cc(OC(F)F)n(C)n2)cc1[N+](=O)[O-] ZINC000494395107 905690407 /nfs/dbraw/zinc/69/04/07/905690407.db2.gz UCDLMPPUENADJK-UHFFFAOYSA-N 0 0 403.389 4.310 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494413131 905701362 /nfs/dbraw/zinc/70/13/62/905701362.db2.gz DAKAEAPIQJRDDZ-UHFFFAOYSA-N 0 0 420.391 4.157 20 5 HIBDRN Cc1c([C@@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nnn1-c1ccc(F)cc1 ZINC000494448962 905733852 /nfs/dbraw/zinc/73/38/52/905733852.db2.gz HJUMYIAUPCYNEK-LLVKDONJSA-N 0 0 423.370 4.493 20 5 HIBDRN CC[C@H](CSc1ccccc1[N+](=O)[O-])Nc1ccc(C)c(N2CCNC2=O)c1 ZINC000494510736 905802441 /nfs/dbraw/zinc/80/24/41/905802441.db2.gz FZWSBJYGGAFFRL-OAHLLOKOSA-N 0 0 400.504 4.416 20 5 HIBDRN Cc1c(CC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000494522431 905811254 /nfs/dbraw/zinc/81/12/54/905811254.db2.gz BGVYSFKYAHRAIV-CQSZACIVSA-N 0 0 404.850 4.153 20 5 HIBDRN CN(Cc1cc(Br)ccc1Cl)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000494533918 905817098 /nfs/dbraw/zinc/81/70/98/905817098.db2.gz VEWWVQXRWLGBDL-UHFFFAOYSA-N 0 0 412.671 4.352 20 5 HIBDRN C[C@@H](NC(=O)NCc1nc(-c2ccccc2F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000494683890 905899219 /nfs/dbraw/zinc/89/92/19/905899219.db2.gz GVJYKVDAPGTEDL-GFCCVEGCSA-N 0 0 400.435 4.418 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000494781472 905980324 /nfs/dbraw/zinc/98/03/24/905980324.db2.gz VTDFMHVYGVYCRJ-ZDUSSCGKSA-N 0 0 422.890 4.394 20 5 HIBDRN Cc1[nH]c2ccccc2c1CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494864357 906047958 /nfs/dbraw/zinc/04/79/58/906047958.db2.gz IRRGBQTUNKIOEQ-UHFFFAOYSA-N 0 0 420.391 4.445 20 5 HIBDRN CCc1cccc2c1OCC[C@@H]2NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494865719 906049351 /nfs/dbraw/zinc/04/93/51/906049351.db2.gz PEDLKVREAAEQHR-KRWDZBQOSA-N 0 0 423.391 4.499 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000494872795 906053206 /nfs/dbraw/zinc/05/32/06/906053206.db2.gz HPRCHBDHBSQACL-UHFFFAOYSA-N 0 0 413.655 4.292 20 5 HIBDRN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)CCc1cccs1 ZINC000494883458 906060275 /nfs/dbraw/zinc/06/02/75/906060275.db2.gz QLEFVBUHVMCPJH-CYBMUJFWSA-N 0 0 416.528 4.281 20 5 HIBDRN COc1cc(C(=O)N(C)C/C(C)=C\c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000494885651 906063989 /nfs/dbraw/zinc/06/39/89/906063989.db2.gz IOBYPNJXQCGPRY-LCYFTJDESA-N 0 0 406.385 4.380 20 5 HIBDRN C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1OCCc2sccc21 ZINC000494942343 906114276 /nfs/dbraw/zinc/11/42/76/906114276.db2.gz XDLRWWKQHOTORZ-VFZGTOFNSA-N 0 0 413.402 4.082 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2ccccc2OCCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000512514082 921208928 /nfs/dbraw/zinc/20/89/28/921208928.db2.gz LZZQVHVZLBYDJW-UHFFFAOYSA-N 0 0 420.421 4.255 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1Cl)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000512526202 921216226 /nfs/dbraw/zinc/21/62/26/921216226.db2.gz WMOYVXVXKFDYMF-UHFFFAOYSA-N 0 0 405.241 4.060 20 5 HIBDRN CCOc1cc(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])cc1OCC ZINC000495120806 906252642 /nfs/dbraw/zinc/25/26/42/906252642.db2.gz KZZRPVRKBXHCBH-HNNXBMFYSA-N 0 0 421.494 4.396 20 5 HIBDRN O=C(NCc1cccc(OC(F)F)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000495172283 906284852 /nfs/dbraw/zinc/28/48/52/906284852.db2.gz IZYKLYOWGUAKHA-UHFFFAOYSA-N 0 0 419.306 4.214 20 5 HIBDRN CCc1cc(N2CCC[C@H](NC(=O)c3cc4ccccc4c4cccnc34)C2)ncn1 ZINC000495272088 906350865 /nfs/dbraw/zinc/35/08/65/906350865.db2.gz JQOHHGLHIYTJKS-IBGZPJMESA-N 0 0 411.509 4.139 20 5 HIBDRN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000495285773 906358446 /nfs/dbraw/zinc/35/84/46/906358446.db2.gz YNHMWHLTRDRBTI-UHFFFAOYSA-N 0 0 416.821 4.425 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000495533190 906498763 /nfs/dbraw/zinc/49/87/63/906498763.db2.gz BHFKZKDQEDLINL-UHFFFAOYSA-N 0 0 402.300 4.326 20 5 HIBDRN CCc1cc(=O)c2cc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2[nH]1 ZINC000512573580 921244754 /nfs/dbraw/zinc/24/47/54/921244754.db2.gz SMCREARSOBIECK-UHFFFAOYSA-N 0 0 420.450 4.375 20 5 HIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c2c1cccc2Cl ZINC000495773646 906548858 /nfs/dbraw/zinc/54/88/58/906548858.db2.gz CWQULHKJITYJAM-UHFFFAOYSA-N 0 0 406.851 4.115 20 5 HIBDRN Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H]3C(C)(C)O)cc2[N+](=O)[O-])cc1 ZINC000495773620 906549200 /nfs/dbraw/zinc/54/92/00/906549200.db2.gz COULODYSOGJBBC-LJQANCHMSA-N 0 0 400.500 4.430 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000512586302 921250644 /nfs/dbraw/zinc/25/06/44/921250644.db2.gz ITIFROOGXXZSIG-FQEVSTJZSA-N 0 0 408.458 4.168 20 5 HIBDRN CNS(=O)(=O)c1cccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000512588438 921251288 /nfs/dbraw/zinc/25/12/88/921251288.db2.gz WZPMPEWDIJTXMB-UHFFFAOYSA-N 0 0 421.862 4.028 20 5 HIBDRN COc1ccccc1OC[C@H](C)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496288295 906649140 /nfs/dbraw/zinc/64/91/40/906649140.db2.gz ADAQTMJSDDHJGX-GFCCVEGCSA-N 0 0 412.364 4.067 20 5 HIBDRN Cc1c(NCc2ccc([N+](=O)[O-])cc2Cl)cccc1S(=O)(=O)NC(C)(C)C ZINC000512599517 921255228 /nfs/dbraw/zinc/25/52/28/921255228.db2.gz DYIZYSXRTBMVGJ-UHFFFAOYSA-N 0 0 411.911 4.246 20 5 HIBDRN CC(C)(C)OC(=O)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000496897375 906776312 /nfs/dbraw/zinc/77/63/12/906776312.db2.gz OJYWYZJJHIMDKF-UHFFFAOYSA-N 0 0 416.396 4.244 20 5 HIBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000497076324 906800794 /nfs/dbraw/zinc/80/07/94/906800794.db2.gz FQOSZNYNTCWBEL-GOSISDBHSA-N 0 0 413.905 4.481 20 5 HIBDRN CCNc1ccc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)cc1[N+](=O)[O-] ZINC000512633380 921269099 /nfs/dbraw/zinc/26/90/99/921269099.db2.gz MZBAERGTOSYDDN-UHFFFAOYSA-N 0 0 423.404 4.065 20 5 HIBDRN CCC1(CO)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1 ZINC000497346023 906842566 /nfs/dbraw/zinc/84/25/66/906842566.db2.gz OUKOBWHDEQPEOR-UHFFFAOYSA-N 0 0 414.458 4.020 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000497347915 906843643 /nfs/dbraw/zinc/84/36/43/906843643.db2.gz QXXHHKKBVSPNJE-UHFFFAOYSA-N 0 0 418.274 4.254 20 5 HIBDRN COC(=O)c1c(C2CC2)csc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497353034 906847309 /nfs/dbraw/zinc/84/73/09/906847309.db2.gz XGTIKYBOAIUZQS-UHFFFAOYSA-N 0 0 412.370 4.174 20 5 HIBDRN Cn1cc(CNc2ccc(C(=O)NC(C)(C)C)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512643271 921271309 /nfs/dbraw/zinc/27/13/09/921271309.db2.gz AZLGEOCSTTVGMP-UHFFFAOYSA-N 0 0 407.474 4.136 20 5 HIBDRN CC(C)(NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000497355236 906849207 /nfs/dbraw/zinc/84/92/07/906849207.db2.gz STQHOBGHKVHYEF-UHFFFAOYSA-N 0 0 424.284 4.073 20 5 HIBDRN Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)[C@H](C)CO2)c1 ZINC000497364490 906854825 /nfs/dbraw/zinc/85/48/25/906854825.db2.gz IOLBNJKIXYFENW-KUHUBIRLSA-N 0 0 420.412 4.415 20 5 HIBDRN Cc1csc(C2(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)CCCC2)n1 ZINC000497375847 906863753 /nfs/dbraw/zinc/86/37/53/906863753.db2.gz DEEJZTSHAPUGPY-UHFFFAOYSA-N 0 0 415.924 4.069 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497484937 906967506 /nfs/dbraw/zinc/96/75/06/906967506.db2.gz FTXFQPJAFKIRNG-IEBWSBKVSA-N 0 0 421.469 4.160 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000497491773 906974941 /nfs/dbraw/zinc/97/49/41/906974941.db2.gz FTYHVGHKPZSMBB-AWEZNQCLSA-N 0 0 415.877 4.170 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000497498194 906985065 /nfs/dbraw/zinc/98/50/65/906985065.db2.gz ZEUBBIZMLVUTAC-AWEZNQCLSA-N 0 0 415.877 4.170 20 5 HIBDRN COc1ccc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1Oc1ccc(C)nn1 ZINC000497517317 907007754 /nfs/dbraw/zinc/00/77/54/907007754.db2.gz TVVZLFWWQXIDJD-UHFFFAOYSA-N 0 0 421.413 4.122 20 5 HIBDRN C[C@@H]1CCCN(c2ccc(C(=O)NCc3nc(-c4ccccc4)c[nH]3)cc2[N+](=O)[O-])C1 ZINC000497522880 907012264 /nfs/dbraw/zinc/01/22/64/907012264.db2.gz JOGQVRWZLXDEKF-MRXNPFEDSA-N 0 0 419.485 4.151 20 5 HIBDRN COc1ccc(CNC(=O)Nc2ccc(Cl)cc2OCC(F)F)cc1[N+](=O)[O-] ZINC000497530244 907020137 /nfs/dbraw/zinc/02/01/37/907020137.db2.gz QUGBPXAJDJEACS-UHFFFAOYSA-N 0 0 415.780 4.222 20 5 HIBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000497531375 907021854 /nfs/dbraw/zinc/02/18/54/907021854.db2.gz ADNPMMQNMNCRFB-SFHVURJKSA-N 0 0 401.369 4.322 20 5 HIBDRN Cc1cccc(Nc2nnc(Sc3cccc(S(C)(=O)=O)c3[N+](=O)[O-])s2)c1 ZINC000497539488 907031314 /nfs/dbraw/zinc/03/13/14/907031314.db2.gz OKGLVIJZTWXBBM-UHFFFAOYSA-N 0 0 422.513 4.053 20 5 HIBDRN CC[C@@H](Nc1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000497555481 907044291 /nfs/dbraw/zinc/04/42/91/907044291.db2.gz ZKEQNYRMCOJDOO-PBHICJAKSA-N 0 0 411.380 4.269 20 5 HIBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(CCc1ccccc1)c1ccccc1 ZINC000497591939 907072568 /nfs/dbraw/zinc/07/25/68/907072568.db2.gz HYAYKFMBJVPVEW-UHFFFAOYSA-N 0 0 400.431 4.172 20 5 HIBDRN Cc1nn(Cc2ccc(C(=O)N3CCC(C)=C(c4ccco4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000512720226 921296076 /nfs/dbraw/zinc/29/60/76/921296076.db2.gz JIBGERBDKKMAKU-UHFFFAOYSA-N 0 0 420.469 4.369 20 5 HIBDRN COc1cc(C(=O)N2CCC(C)=C(c3ccco3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000512757113 921302430 /nfs/dbraw/zinc/30/24/30/921302430.db2.gz DSRRLCGALUDLRZ-UHFFFAOYSA-N 0 0 408.357 4.117 20 5 HIBDRN CC(C)S(=O)(=O)Cc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000497771815 907263389 /nfs/dbraw/zinc/26/33/89/907263389.db2.gz SITICSCEYNWTSW-AWEZNQCLSA-N 0 0 422.528 4.037 20 5 HIBDRN CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000497780473 907273876 /nfs/dbraw/zinc/27/38/76/907273876.db2.gz BFCCGNMFDWLQFY-UHFFFAOYSA-N 0 0 422.528 4.039 20 5 HIBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000497806653 907292370 /nfs/dbraw/zinc/29/23/70/907292370.db2.gz GFTVJBCGBOJIFZ-UHFFFAOYSA-N 0 0 411.801 4.219 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000497839401 907320382 /nfs/dbraw/zinc/32/03/82/907320382.db2.gz HVJSLRWNCGJYTM-CABCVRRESA-N 0 0 401.463 4.350 20 5 HIBDRN O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)o1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000497846758 907326211 /nfs/dbraw/zinc/32/62/11/907326211.db2.gz KGJAMLFHQUQRAN-UHFFFAOYSA-N 0 0 417.343 4.467 20 5 HIBDRN CN(CCc1cccc2ccccc21)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497859154 907338107 /nfs/dbraw/zinc/33/81/07/907338107.db2.gz GGMBDDNOJGUVER-UHFFFAOYSA-N 0 0 410.495 4.147 20 5 HIBDRN NC(=O)c1cccc(Oc2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)c1 ZINC000497880567 907353575 /nfs/dbraw/zinc/35/35/75/907353575.db2.gz JQLHYERWZKZHHK-UHFFFAOYSA-N 0 0 411.801 4.392 20 5 HIBDRN O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497886539 907359320 /nfs/dbraw/zinc/35/93/20/907359320.db2.gz LWVPGAATKBSJKV-UHFFFAOYSA-N 0 0 422.828 4.098 20 5 HIBDRN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000497983160 907459842 /nfs/dbraw/zinc/45/98/42/907459842.db2.gz LNKJEXOBNWXHJL-HNNXBMFYSA-N 0 0 419.311 4.338 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000498003744 907489791 /nfs/dbraw/zinc/48/97/91/907489791.db2.gz XSCYYBVPYSSTRU-ZDUSSCGKSA-N 0 0 407.239 4.201 20 5 HIBDRN Cc1cccc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000498026439 907526174 /nfs/dbraw/zinc/52/61/74/907526174.db2.gz JWEFNDDHUPXKNF-HNNXBMFYSA-N 0 0 403.276 4.371 20 5 HIBDRN COc1c(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] ZINC000498028649 907529882 /nfs/dbraw/zinc/52/98/82/907529882.db2.gz RPFACPXLNIUBRO-CQSZACIVSA-N 0 0 419.275 4.071 20 5 HIBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000498057571 907567135 /nfs/dbraw/zinc/56/71/35/907567135.db2.gz KEFHIKXNWRDEGW-OAHLLOKOSA-N 0 0 403.276 4.371 20 5 HIBDRN Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000512832055 921336282 /nfs/dbraw/zinc/33/62/82/921336282.db2.gz FRCBOQPZETVXGT-IBGZPJMESA-N 0 0 408.483 4.287 20 5 HIBDRN CC(C)[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)N1CCC[C@@H](C)C1 ZINC000498085031 907594773 /nfs/dbraw/zinc/59/47/73/907594773.db2.gz KWRPLTKGHXFEQH-IERDGZPVSA-N 0 0 423.582 4.462 20 5 HIBDRN COc1ccccc1C[C@@H](C)CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498140628 907661676 /nfs/dbraw/zinc/66/16/76/907661676.db2.gz QMFNZHGRYSIJLY-VFNWGFHPSA-N 0 0 400.500 4.446 20 5 HIBDRN O=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498149289 907673358 /nfs/dbraw/zinc/67/33/58/907673358.db2.gz HMYPZBXJFWNVGB-FQEVSTJZSA-N 0 0 413.430 4.206 20 5 HIBDRN O=C(Cc1ccc(Br)s1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498149547 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O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](Nc2ccccc2)C1 ZINC000498474082 907943166 /nfs/dbraw/zinc/94/31/66/907943166.db2.gz ZDFSDQYFCLEFGE-SFHVURJKSA-N 0 0 402.882 4.077 20 5 HIBDRN COC(=O)c1cc(C(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000498512886 907984716 /nfs/dbraw/zinc/98/47/16/907984716.db2.gz VLTYUZKZMAJSIG-NSHDSACASA-N 0 0 410.348 4.233 20 5 HIBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCc1cccc(OCc2ccccc2)c1 ZINC000498527531 907995172 /nfs/dbraw/zinc/99/51/72/907995172.db2.gz SKFKYMRELGWQOG-UHFFFAOYSA-N 0 0 408.429 4.214 20 5 HIBDRN COc1ccc2c(c1)CN(C(=O)c1ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c1)CC2 ZINC000512873703 921371515 /nfs/dbraw/zinc/37/15/15/921371515.db2.gz DLDBNQIRNBOWHB-INIZCTEOSA-N 0 0 409.486 4.038 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2nncc3ccccc32)cc1 ZINC000498564173 908025165 /nfs/dbraw/zinc/02/51/65/908025165.db2.gz RENCHZLRNKYWIL-UHFFFAOYSA-N 0 0 401.382 4.286 20 5 HIBDRN COC[C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000498593893 908043591 /nfs/dbraw/zinc/04/35/91/908043591.db2.gz RQBOQMQNSZVXOW-OAHLLOKOSA-N 0 0 417.893 4.359 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1csc(-c2ccccn2)n1 ZINC000498610070 908057068 /nfs/dbraw/zinc/05/70/68/908057068.db2.gz JFYKUMHRJSPTKL-UHFFFAOYSA-N 0 0 412.474 4.312 20 5 HIBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000498881452 908281011 /nfs/dbraw/zinc/28/10/11/908281011.db2.gz VBTWAOLYCXINAP-JOCHJYFZSA-N 0 0 408.433 4.227 20 5 HIBDRN Cc1sc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] ZINC000498890656 908294325 /nfs/dbraw/zinc/29/43/25/908294325.db2.gz DUMDOZDUPVKMHJ-UHFFFAOYSA-N 0 0 407.249 4.165 20 5 HIBDRN CCc1cc(Sc2nccn2Cc2ccccn2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498914586 908323941 /nfs/dbraw/zinc/32/39/41/908323941.db2.gz ZUBYIENQNVZDBZ-UHFFFAOYSA-N 0 0 418.482 4.405 20 5 HIBDRN CCC[C@H]1SCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000499041482 908415542 /nfs/dbraw/zinc/41/55/42/908415542.db2.gz OCZKMTCYRDGPKX-AUUYWEPGSA-N 0 0 400.504 4.478 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H]2CC(=O)c3ccccc32)cc1[N+](=O)[O-])c1ccccn1 ZINC000499042524 908415685 /nfs/dbraw/zinc/41/56/85/908415685.db2.gz HEBYDFZHPHNFFY-JLTOFOAXSA-N 0 0 416.437 4.220 20 5 HIBDRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Sc2nccn2C)cc1[N+](=O)[O-] ZINC000499099536 908460234 /nfs/dbraw/zinc/46/02/34/908460234.db2.gz OFSPLMOHJBWHGF-UHFFFAOYSA-N 0 0 418.862 4.394 20 5 HIBDRN COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Oc1ccc(C)nn1 ZINC000499247131 908617560 /nfs/dbraw/zinc/61/75/60/908617560.db2.gz OKCPUMJWEITYBN-UHFFFAOYSA-N 0 0 409.402 4.447 20 5 HIBDRN COc1ccc([C@H](Cc2ccccc2C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1OC ZINC000499251012 908625267 /nfs/dbraw/zinc/62/52/67/908625267.db2.gz WOBRDCPVVXUOQL-KRWDZBQOSA-N 0 0 410.426 4.227 20 5 HIBDRN COc1ccc(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1Oc1ccc(C)nn1 ZINC000499271321 908648594 /nfs/dbraw/zinc/64/85/94/908648594.db2.gz FDBYFINRKFHIIO-UHFFFAOYSA-N 0 0 409.402 4.447 20 5 HIBDRN CC(C)c1ccc(-c2noc(CCC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000512942427 921429025 /nfs/dbraw/zinc/42/90/25/921429025.db2.gz WXIFIRMSXGSKRQ-UHFFFAOYSA-N 0 0 422.485 4.402 20 5 HIBDRN O=C(NCCc1ccccc1Cl)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000499308373 908682703 /nfs/dbraw/zinc/68/27/03/908682703.db2.gz KZDXFEJLKSAMLU-UHFFFAOYSA-N 0 0 402.756 4.162 20 5 HIBDRN CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000499371861 908740107 /nfs/dbraw/zinc/74/01/07/908740107.db2.gz JSYCOBKSKFRJFG-HXUWFJFHSA-N 0 0 417.893 4.224 20 5 HIBDRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)cc1[N+](=O)[O-] ZINC000499487301 908814594 /nfs/dbraw/zinc/81/45/94/908814594.db2.gz LOYGSPHPGDTRRR-UHFFFAOYSA-N 0 0 421.906 4.452 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)COC(c1ccccc1)c1ccccc1 ZINC000512969414 921443974 /nfs/dbraw/zinc/44/39/74/921443974.db2.gz YADOSJXABWLVAS-UHFFFAOYSA-N 0 0 404.466 4.402 20 5 HIBDRN Cc1cc(SC2CCCCC2)ccc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000499608633 908855033 /nfs/dbraw/zinc/85/50/33/908855033.db2.gz GHRVFUOWBUFFPA-UHFFFAOYSA-N 0 0 401.488 4.128 20 5 HIBDRN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)cc1 ZINC000499709967 908884507 /nfs/dbraw/zinc/88/45/07/908884507.db2.gz INOLTBNSHNURQN-UHFFFAOYSA-N 0 0 409.486 4.111 20 5 HIBDRN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000499896366 909018250 /nfs/dbraw/zinc/01/82/50/909018250.db2.gz DFWDBPBVWWLKTC-CQSZACIVSA-N 0 0 409.417 4.386 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000499897497 909020634 /nfs/dbraw/zinc/02/06/34/909020634.db2.gz VETRYQVBADGYSJ-NDEPHWFRSA-N 0 0 401.488 4.011 20 5 HIBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000499901634 909023748 /nfs/dbraw/zinc/02/37/48/909023748.db2.gz SRBXJRPJOYQLQH-UHFFFAOYSA-N 0 0 406.370 4.154 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000512999587 921466790 /nfs/dbraw/zinc/46/67/90/921466790.db2.gz PCUCRKHRQLAFDC-UHFFFAOYSA-N 0 0 403.438 4.186 20 5 HIBDRN CC(C)c1noc2nc(C3CC3)cc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c21 ZINC000513005470 921470025 /nfs/dbraw/zinc/47/00/25/921470025.db2.gz WGQADJRSQSLLQP-UHFFFAOYSA-N 0 0 408.458 4.447 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC000513033493 921493674 /nfs/dbraw/zinc/49/36/74/921493674.db2.gz ZHPYEVALHWCEGP-UHFFFAOYSA-N 0 0 405.376 4.420 20 5 HIBDRN O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000499969898 909413259 /nfs/dbraw/zinc/41/32/59/909413259.db2.gz CVZRXAAJUCNIBL-HNNXBMFYSA-N 0 0 401.369 4.485 20 5 HIBDRN O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000513039339 921498498 /nfs/dbraw/zinc/49/84/98/921498498.db2.gz ZXOJXXSOCWLRPI-UHFFFAOYSA-N 0 0 407.304 4.484 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cc1[N+](=O)[O-] ZINC000500094290 909573168 /nfs/dbraw/zinc/57/31/68/909573168.db2.gz ATENWGKJCHYNHC-NSHDSACASA-N 0 0 402.357 4.382 20 5 HIBDRN 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SKLJZJYHLZMURX-UHFFFAOYSA-N 0 0 408.183 4.146 20 5 HIBDRN NC(=O)CC1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000508626097 917391001 /nfs/dbraw/zinc/39/10/01/917391001.db2.gz SUIRDHPNCINJHI-UHFFFAOYSA-N 0 0 403.866 4.128 20 5 HIBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000508769398 917524827 /nfs/dbraw/zinc/52/48/27/917524827.db2.gz KOIXSXWFAADOGQ-LBPRGKRZSA-N 0 0 402.813 4.372 20 5 HIBDRN Cn1cc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)cn1 ZINC000508776270 917529606 /nfs/dbraw/zinc/52/96/06/917529606.db2.gz APPHVCBQTIKVLT-UHFFFAOYSA-N 0 0 419.363 4.272 20 5 HIBDRN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2C)sc2c1CCSC2 ZINC000508779513 917532453 /nfs/dbraw/zinc/53/24/53/917532453.db2.gz QLGMXZPDESOPKG-UHFFFAOYSA-N 0 0 406.485 4.183 20 5 HIBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000508835001 917587882 /nfs/dbraw/zinc/58/78/82/917587882.db2.gz OIYHZXQDYBLZIR-RDJZCZTQSA-N 0 0 410.449 4.366 20 5 HIBDRN COc1cc(C(=O)Nc2ccccc2CN2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000508961590 917718512 /nfs/dbraw/zinc/71/85/12/917718512.db2.gz UAQJYOMKDABCAU-UHFFFAOYSA-N 0 0 403.438 4.418 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CN2CCO[C@H](c3ccccc3C(F)(F)F)C2)c(F)c1 ZINC000508967770 917723834 /nfs/dbraw/zinc/72/38/34/917723834.db2.gz SVRFCWQCOHXIPL-KRWDZBQOSA-N 0 0 402.319 4.465 20 5 HIBDRN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000508980172 917733861 /nfs/dbraw/zinc/73/38/61/917733861.db2.gz MGKPKUGTHLUMLZ-AWEZNQCLSA-N 0 0 422.420 4.055 20 5 HIBDRN O=[N+]([O-])c1cc(F)c(CN2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c(F)c1 ZINC000509007431 917761567 /nfs/dbraw/zinc/76/15/67/917761567.db2.gz HGWWBCXCCTXBDC-AWEZNQCLSA-N 0 0 405.449 4.418 20 5 HIBDRN Cc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000509017367 917771947 /nfs/dbraw/zinc/77/19/47/917771947.db2.gz UQTURNQRRDSGLL-UHFFFAOYSA-N 0 0 414.174 4.208 20 5 HIBDRN COc1cc(C(=O)N(Cc2cccc(Br)c2)C(C)C)ccc1[N+](=O)[O-] ZINC000509025378 917778459 /nfs/dbraw/zinc/77/84/59/917778459.db2.gz WDYNVTQQCCTUOF-UHFFFAOYSA-N 0 0 407.264 4.417 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000509069563 917815345 /nfs/dbraw/zinc/81/53/45/917815345.db2.gz NYMBULJCULNYKM-CQSZACIVSA-N 0 0 404.417 4.092 20 5 HIBDRN COc1ccc(-c2csc(NC(=O)CSc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000509077672 917823006 /nfs/dbraw/zinc/82/30/06/917823006.db2.gz ADHMRQARQNBQHI-UHFFFAOYSA-N 0 0 401.469 4.458 20 5 HIBDRN C[C@H](NC(=O)CSc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000509080317 917824994 /nfs/dbraw/zinc/82/49/94/917824994.db2.gz HMJCLNYDVKBLLA-NSHDSACASA-N 0 0 400.378 4.463 20 5 HIBDRN Cc1ccc(Cl)c(S(=O)(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1Cl ZINC000509137920 917865170 /nfs/dbraw/zinc/86/51/70/917865170.db2.gz KGQCIPRXFKSOMY-UHFFFAOYSA-N 0 0 403.287 4.073 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1ccccc1C ZINC000509145866 917869273 /nfs/dbraw/zinc/86/92/73/917869273.db2.gz DJMCYMSZQFVKOD-UHFFFAOYSA-N 0 0 424.238 4.483 20 5 HIBDRN Cc1ccc(-c2cc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)[nH]n2)o1 ZINC000509179245 917890191 /nfs/dbraw/zinc/89/01/91/917890191.db2.gz QJIMGJMJOVZRAT-UHFFFAOYSA-N 0 0 405.208 4.210 20 5 HIBDRN O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000509265577 917953175 /nfs/dbraw/zinc/95/31/75/917953175.db2.gz WEDGDESBVFWVBN-INIZCTEOSA-N 0 0 423.322 4.411 20 5 HIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000509302726 917982198 /nfs/dbraw/zinc/98/21/98/917982198.db2.gz NLTRXQKVHKKMPP-NSHDSACASA-N 0 0 416.259 4.016 20 5 HIBDRN Cc1cccc2c1N(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)CC2 ZINC000509339513 918006958 /nfs/dbraw/zinc/00/69/58/918006958.db2.gz BRNVVXJOKCNIHE-UHFFFAOYSA-N 0 0 422.222 4.019 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1Br ZINC000509440656 918096283 /nfs/dbraw/zinc/09/62/83/918096283.db2.gz YNPSWVMFFDPPJQ-UHFFFAOYSA-N 0 0 406.280 4.478 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000509471895 918119114 /nfs/dbraw/zinc/11/91/14/918119114.db2.gz QQFOXHAJBGGKLN-UHFFFAOYSA-N 0 0 413.474 4.221 20 5 HIBDRN C[C@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000509473744 918121673 /nfs/dbraw/zinc/12/16/73/918121673.db2.gz YDALZIFHIIHMIZ-XHDPSFHLSA-N 0 0 422.268 4.132 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(-c2cncc(F)c2)ccc1C ZINC000509492205 918137966 /nfs/dbraw/zinc/13/79/66/918137966.db2.gz CTOAHCXQLROWOX-UHFFFAOYSA-N 0 0 410.405 4.164 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@@H]1c1ccccc1 ZINC000509509970 918156709 /nfs/dbraw/zinc/15/67/09/918156709.db2.gz NEPTVSQARNLZMB-MRXNPFEDSA-N 0 0 422.222 4.177 20 5 HIBDRN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)n1 ZINC000509517574 918167110 /nfs/dbraw/zinc/16/71/10/918167110.db2.gz CECOMMYXSIBHIE-CQSZACIVSA-N 0 0 424.482 4.004 20 5 HIBDRN COc1cc(O)cc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 ZINC000509521042 918170684 /nfs/dbraw/zinc/17/06/84/918170684.db2.gz CFXGDJVEJLFWLP-UHFFFAOYSA-N 0 0 423.212 4.054 20 5 HIBDRN Cc1ccc(C)c(N(C)C(=O)c2cc([N+](=O)[O-])cc(I)c2C)c1 ZINC000509552784 918201901 /nfs/dbraw/zinc/20/19/01/918201901.db2.gz LWMODVCIGJELDE-UHFFFAOYSA-N 0 0 424.238 4.401 20 5 HIBDRN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(OCc2ccccn2)c1 ZINC000509585454 918235547 /nfs/dbraw/zinc/23/55/47/918235547.db2.gz JRPFJFHUNFUQNU-INIZCTEOSA-N 0 0 421.453 4.286 20 5 HIBDRN CCN(Cc1ccccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C(C)=O ZINC000509590856 918238871 /nfs/dbraw/zinc/23/88/71/918238871.db2.gz FWTDRSKIXHDWQY-UHFFFAOYSA-N 0 0 412.490 4.406 20 5 HIBDRN C[C@@H](Sc1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000509665712 918298209 /nfs/dbraw/zinc/29/82/09/918298209.db2.gz NEFISKZBENRSFR-GFCCVEGCSA-N 0 0 409.305 4.497 20 5 HIBDRN COc1ccc([C@H]2CCCN2C(=O)CSc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000509679016 918309613 /nfs/dbraw/zinc/30/96/13/918309613.db2.gz HBFJZHFIJZYQMZ-GOSISDBHSA-N 0 0 402.472 4.068 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000509682590 918313334 /nfs/dbraw/zinc/31/33/34/918313334.db2.gz XOCINUFUIQBYNK-UHFFFAOYSA-N 0 0 412.467 4.091 20 5 HIBDRN C[C@H](c1cccs1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000509717580 918343606 /nfs/dbraw/zinc/34/36/06/918343606.db2.gz VMNCTFZPRASAFV-SECBINFHSA-N 0 0 416.240 4.094 20 5 HIBDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000509735634 918356981 /nfs/dbraw/zinc/35/69/81/918356981.db2.gz NYIAIXOSPWPMRG-UHFFFAOYSA-N 0 0 408.845 4.363 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000509768893 918384242 /nfs/dbraw/zinc/38/42/42/918384242.db2.gz ZLBLCUKEXBMKFS-UHFFFAOYSA-N 0 0 406.460 4.499 20 5 HIBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000509799589 918405018 /nfs/dbraw/zinc/40/50/18/918405018.db2.gz SFRSXUSNQSUZNW-SFHVURJKSA-N 0 0 414.481 4.180 20 5 HIBDRN COC(=O)c1cc(C(=O)Nc2c(-c3cccs3)nc3ccccn32)cc([N+](=O)[O-])c1 ZINC000509828803 918429588 /nfs/dbraw/zinc/42/95/88/918429588.db2.gz YZNYFGSMCRBGHZ-UHFFFAOYSA-N 0 0 422.422 4.010 20 5 HIBDRN Cc1csc(CCCCNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000509837371 918439263 /nfs/dbraw/zinc/43/92/63/918439263.db2.gz SEDCRBCDBMCKTB-UHFFFAOYSA-N 0 0 412.309 4.183 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000509854833 918458458 /nfs/dbraw/zinc/45/84/58/918458458.db2.gz OYUVKZBBLGDKHV-UHFFFAOYSA-N 0 0 401.220 4.104 20 5 HIBDRN COC(=O)COc1ccc(CNc2cc(Cc3ccccn3)ccc2C)cc1[N+](=O)[O-] ZINC000509963687 918554258 /nfs/dbraw/zinc/55/42/58/918554258.db2.gz NSCPWBQQRKHRDS-UHFFFAOYSA-N 0 0 421.453 4.053 20 5 HIBDRN O=C(Nc1ccccc1)N1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000509965142 918555924 /nfs/dbraw/zinc/55/59/24/918555924.db2.gz YWRAFAGNWJBRTC-QGZVFWFLSA-N 0 0 423.498 4.114 20 5 HIBDRN CCCNC(=O)c1cccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000510022630 918598810 /nfs/dbraw/zinc/59/88/10/918598810.db2.gz FQJPOLIBDAQRQP-UHFFFAOYSA-N 0 0 420.263 4.058 20 5 HIBDRN Cc1c(Br)cc(C(=O)N2CC[C@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000510026648 918601819 /nfs/dbraw/zinc/60/18/19/918601819.db2.gz PTYUPCZNMYFXJA-LBPRGKRZSA-N 0 0 407.239 4.435 20 5 HIBDRN Cc1c(Br)cc(C(=O)NCc2coc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000510043929 918614767 /nfs/dbraw/zinc/61/47/67/918614767.db2.gz KOTQZGVEDAWLDC-UHFFFAOYSA-N 0 0 416.231 4.251 20 5 HIBDRN Cc1cc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c(C)o1 ZINC000510158734 918710953 /nfs/dbraw/zinc/71/09/53/918710953.db2.gz ICAMIKIJTBYTPD-UHFFFAOYSA-N 0 0 409.442 4.023 20 5 HIBDRN COc1ccc(NC(=O)CN2CCC(c3c(C)[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000510174296 918725106 /nfs/dbraw/zinc/72/51/06/918725106.db2.gz XUALMNLXRJWUSC-UHFFFAOYSA-N 0 0 422.485 4.211 20 5 HIBDRN CCn1c2ccc(Br)cc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000510187630 918736564 /nfs/dbraw/zinc/73/65/64/918736564.db2.gz YTLPUHPZRSIEKK-UHFFFAOYSA-N 0 0 407.199 4.118 20 5 HIBDRN COc1cc(C)ccc1Oc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000510257022 918790957 /nfs/dbraw/zinc/79/09/57/918790957.db2.gz VHERGAWUIHBEPT-UHFFFAOYSA-N 0 0 414.393 4.069 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000510439799 918898356 /nfs/dbraw/zinc/89/83/56/918898356.db2.gz AZCJYGSIQBPRFS-UHFFFAOYSA-N 0 0 416.474 4.054 20 5 HIBDRN Cc1c(Br)cc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000510513489 918961566 /nfs/dbraw/zinc/96/15/66/918961566.db2.gz HRDXRHVDVAZWHQ-SNVBAGLBSA-N 0 0 403.236 4.033 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000510532211 918976894 /nfs/dbraw/zinc/97/68/94/918976894.db2.gz SLUHUQSZVHHZNO-UHFFFAOYSA-N 0 0 424.457 4.033 20 5 HIBDRN Cc1csc(C2(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)CCC2)n1 ZINC000510563330 919005702 /nfs/dbraw/zinc/00/57/02/919005702.db2.gz AXNRALIMLPCRRA-UHFFFAOYSA-N 0 0 410.293 4.240 20 5 HIBDRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000510621112 919062327 /nfs/dbraw/zinc/06/23/27/919062327.db2.gz ABDREKCUQDAALM-KRWDZBQOSA-N 0 0 419.913 4.458 20 5 HIBDRN Cc1ccc(-c2csc(NC(=O)c3cc(F)cc4nccnc43)n2)cc1[N+](=O)[O-] ZINC000510683550 919123236 /nfs/dbraw/zinc/12/32/36/919123236.db2.gz LGYWGWLCDBDMRR-UHFFFAOYSA-N 0 0 409.402 4.361 20 5 HIBDRN CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000510709802 919150030 /nfs/dbraw/zinc/15/00/30/919150030.db2.gz RFPHCEXNLVOCAM-HNNXBMFYSA-N 0 0 408.376 4.165 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OCc1ccncc1 ZINC000510766278 919221454 /nfs/dbraw/zinc/22/14/54/919221454.db2.gz DQLDNQMNODPQRW-HNNXBMFYSA-N 0 0 422.441 4.460 20 5 HIBDRN O=C(NCCCn1ccc2ccccc21)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510834529 919314547 /nfs/dbraw/zinc/31/45/47/919314547.db2.gz BZLLXCJQWZMIEW-UHFFFAOYSA-N 0 0 404.373 4.363 20 5 HIBDRN C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000510851225 919338258 /nfs/dbraw/zinc/33/82/58/919338258.db2.gz RKPDQHBQBJPAHH-ZDUSSCGKSA-N 0 0 411.380 4.439 20 5 HIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000510911909 919419700 /nfs/dbraw/zinc/41/97/00/919419700.db2.gz CKCVSFIPIZAPFE-QGZVFWFLSA-N 0 0 419.441 4.183 20 5 HIBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O ZINC000511045361 919636127 /nfs/dbraw/zinc/63/61/27/919636127.db2.gz NPTDVDJJEXQRJZ-HXUWFJFHSA-N 0 0 417.849 4.003 20 5 HIBDRN COc1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])c(Br)c1OC ZINC000511073843 919674324 /nfs/dbraw/zinc/67/43/24/919674324.db2.gz NDZJMIJVCWPEHA-UHFFFAOYSA-N 0 0 409.280 4.049 20 5 HIBDRN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511091045 919694430 /nfs/dbraw/zinc/69/44/30/919694430.db2.gz KVFYPPVKNFRKHW-UHFFFAOYSA-N 0 0 422.363 4.218 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511097221 919701789 /nfs/dbraw/zinc/70/17/89/919701789.db2.gz UVAICKSDPGTPIQ-VLIAUNLRSA-N 0 0 403.429 4.484 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511123070 919736062 /nfs/dbraw/zinc/73/60/62/919736062.db2.gz OVBODUNLDJUCIB-NRFANRHFSA-N 0 0 419.428 4.104 20 5 HIBDRN O=C(NCc1ccc(OC(F)F)c(F)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000511175594 919798303 /nfs/dbraw/zinc/79/83/03/919798303.db2.gz QTIITZGREPALFO-UHFFFAOYSA-N 0 0 408.254 4.284 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2ccc3nc(N(C)C)oc3c2)cc1[N+](=O)[O-] ZINC000511256552 919858324 /nfs/dbraw/zinc/85/83/24/919858324.db2.gz ACKKAUJNMJALJN-UHFFFAOYSA-N 0 0 419.235 4.125 20 5 HIBDRN CCNc1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000511375681 919972617 /nfs/dbraw/zinc/97/26/17/919972617.db2.gz DHUWIHWUTUAOSP-UHFFFAOYSA-N 0 0 417.893 4.158 20 5 HIBDRN CC(C)(C)c1csc(C2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000511397589 920009554 /nfs/dbraw/zinc/00/95/54/920009554.db2.gz FBSPBMYUOFVWQY-UHFFFAOYSA-N 0 0 403.504 4.134 20 5 HIBDRN Cc1c(Br)cc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)cc1[N+](=O)[O-] ZINC000511495240 920106023 /nfs/dbraw/zinc/10/60/23/920106023.db2.gz DHSVVWGAMBOBDD-UHFFFAOYSA-N 0 0 401.220 4.308 20 5 HIBDRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000511507400 920122871 /nfs/dbraw/zinc/12/28/71/920122871.db2.gz PUGOWHHSNOPSDP-LLVKDONJSA-N 0 0 401.806 4.153 20 5 HIBDRN C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000511529397 920149094 /nfs/dbraw/zinc/14/90/94/920149094.db2.gz QBHNRPOOTVVOPC-ZDUSSCGKSA-N 0 0 411.380 4.439 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cccc2Cl)n1CC(F)(F)F ZINC000511554703 920188411 /nfs/dbraw/zinc/18/84/11/920188411.db2.gz QAJYPNRMLSURQF-UHFFFAOYSA-N 0 0 413.743 4.116 20 5 HIBDRN COc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c2cccnc12 ZINC000511603614 920250572 /nfs/dbraw/zinc/25/05/72/920250572.db2.gz BHRILYFYLJYIRP-UHFFFAOYSA-N 0 0 421.331 4.345 20 5 HIBDRN COc1ccc(C[C@@H](C)C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000511615431 920269101 /nfs/dbraw/zinc/26/91/01/920269101.db2.gz HBGFGLPVVLZUBB-SZNDQCEHSA-N 0 0 416.499 4.065 20 5 HIBDRN CC(=O)c1ccc(N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC000511658502 920326300 /nfs/dbraw/zinc/32/63/00/920326300.db2.gz KMUOCKQDHJEIDN-AWEZNQCLSA-N 0 0 409.364 4.387 20 5 HIBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)c2ccc(Br)cc2C)c1C ZINC000511680172 920345117 /nfs/dbraw/zinc/34/51/17/920345117.db2.gz HMKLIDHDZGRADG-UHFFFAOYSA-N 0 0 413.293 4.108 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000511707311 920372613 /nfs/dbraw/zinc/37/26/13/920372613.db2.gz MCPZPVNXKDQNTM-AWEZNQCLSA-N 0 0 409.417 4.320 20 5 HIBDRN Cc1nc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)nc2c1CCCC2 ZINC000511710935 920376410 /nfs/dbraw/zinc/37/64/10/920376410.db2.gz AYWFDINVOCJHBQ-AWEZNQCLSA-N 0 0 409.490 4.061 20 5 HIBDRN O=C(NCCC1=CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000511730605 920395940 /nfs/dbraw/zinc/39/59/40/920395940.db2.gz PWCCENIYNVFZBL-UHFFFAOYSA-N 0 0 417.512 4.363 20 5 HIBDRN COc1ccc(CN(CC2CCC2)C(=O)Cc2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000511753710 920431801 /nfs/dbraw/zinc/43/18/01/920431801.db2.gz DQMOWCZSJBBNHB-UHFFFAOYSA-N 0 0 416.449 4.123 20 5 HIBDRN Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000511778189 920469106 /nfs/dbraw/zinc/46/91/06/920469106.db2.gz ZAOPDWQECVUICI-UHFFFAOYSA-N 0 0 415.471 4.026 20 5 HIBDRN COc1cc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000511834975 920542112 /nfs/dbraw/zinc/54/21/12/920542112.db2.gz NJPCCLQONGVBPB-OAHLLOKOSA-N 0 0 405.248 4.343 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2Cl)c(Cl)c1 ZINC000511886531 920623023 /nfs/dbraw/zinc/62/30/23/920623023.db2.gz DUNQAGKFJREMRJ-ZDUSSCGKSA-N 0 0 415.298 4.297 20 5 HIBDRN CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000511892899 920629221 /nfs/dbraw/zinc/62/92/21/920629221.db2.gz MCAKCCVUFRYJDA-ZDUSSCGKSA-N 0 0 404.444 4.121 20 5 HIBDRN CCOC(=O)C1CCC(N(CC)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000511899652 920636993 /nfs/dbraw/zinc/63/69/93/920636993.db2.gz 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ZINC000516038869 923515940 /nfs/dbraw/zinc/51/59/40/923515940.db2.gz GBUDZIMAFBQOCM-FQEVSTJZSA-N 0 0 423.856 4.401 20 5 HIBDRN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000516064569 923525759 /nfs/dbraw/zinc/52/57/59/923525759.db2.gz QZMTWHZZOXSQHX-UHFFFAOYSA-N 0 0 410.257 4.197 20 5 HIBDRN CNc1ccc(C(=O)Nc2nnc(SCc3cccs3)s2)cc1[N+](=O)[O-] ZINC000516151375 923577481 /nfs/dbraw/zinc/57/74/81/923577481.db2.gz SBNLWNGUWGJHFP-UHFFFAOYSA-N 0 0 407.502 4.094 20 5 HIBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000516219634 923608680 /nfs/dbraw/zinc/60/86/80/923608680.db2.gz MULZZTIWAGFNJZ-QFBILLFUSA-N 0 0 400.500 4.283 20 5 HIBDRN O=C(CSc1ncccc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000516271705 923639842 /nfs/dbraw/zinc/63/98/42/923639842.db2.gz YHGGOXYLTVHVBK-CQSZACIVSA-N 0 0 414.468 4.114 20 5 HIBDRN O=C(NCc1cc(F)cc(Br)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516272431 923640353 /nfs/dbraw/zinc/64/03/53/923640353.db2.gz HTDWWKSZDYJIEQ-UHFFFAOYSA-N 0 0 402.607 4.472 20 5 HIBDRN Cc1c(NC(=O)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000516428034 923727128 /nfs/dbraw/zinc/72/71/28/923727128.db2.gz SWYIXQHPYPRWAE-UHFFFAOYSA-N 0 0 421.375 4.052 20 5 HIBDRN C[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000516442260 923736802 /nfs/dbraw/zinc/73/68/02/923736802.db2.gz ILEZWCOPFNZACG-MRVPVSSYSA-N 0 0 416.648 4.371 20 5 HIBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CC(F)(F)F ZINC000516462150 923742391 /nfs/dbraw/zinc/74/23/91/923742391.db2.gz MCAVVCQVJFBYIA-UHFFFAOYSA-N 0 0 402.350 4.391 20 5 HIBDRN CC(C)c1ccc(OC2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)cc1 ZINC000516506362 923765585 /nfs/dbraw/zinc/76/55/85/923765585.db2.gz JPHNWADRABHUSE-UHFFFAOYSA-N 0 0 401.438 4.123 20 5 HIBDRN O=C(NCCCOCC(F)(F)F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000516513635 923772747 /nfs/dbraw/zinc/77/27/47/923772747.db2.gz FHVIOFBOWIEKIH-UHFFFAOYSA-N 0 0 414.405 4.445 20 5 HIBDRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000516526876 923779724 /nfs/dbraw/zinc/77/97/24/923779724.db2.gz KDMIEDRKCKGEAR-AWEZNQCLSA-N 0 0 422.403 4.442 20 5 HIBDRN CNc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)cc1[N+](=O)[O-] ZINC000516529069 923781088 /nfs/dbraw/zinc/78/10/88/923781088.db2.gz ODFMYAOCDNYOKR-UHFFFAOYSA-N 0 0 404.426 4.450 20 5 HIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000516587033 923803311 /nfs/dbraw/zinc/80/33/11/923803311.db2.gz PNDOSJBRHDIALZ-GOSISDBHSA-N 0 0 418.291 4.447 20 5 HIBDRN CCc1c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnn1-c1ccccc1Cl ZINC000516798143 923890917 /nfs/dbraw/zinc/89/09/17/923890917.db2.gz UCZIHSDXOIKTQK-UHFFFAOYSA-N 0 0 412.877 4.311 20 5 HIBDRN Cc1cc(OCc2nc(Cc3ccc(Oc4ncccn4)cc3)no2)ccc1[N+](=O)[O-] ZINC000516859729 923919032 /nfs/dbraw/zinc/91/90/32/923919032.db2.gz IXQBTDLGDKBKFW-UHFFFAOYSA-N 0 0 419.397 4.038 20 5 HIBDRN Cc1sc(C(=O)N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC000517061722 923982198 /nfs/dbraw/zinc/98/21/98/923982198.db2.gz FFPLJDFHVIXNIQ-CQSZACIVSA-N 0 0 416.377 4.077 20 5 HIBDRN CC(C)[C@@H](NC(=O)c1ccccc1)c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000517347855 924120760 /nfs/dbraw/zinc/12/07/60/924120760.db2.gz DWYIVPFPCICVGM-HXUWFJFHSA-N 0 0 423.473 4.150 20 5 HIBDRN CCOC(=O)c1cc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)cc([N+](=O)[O-])c1 ZINC000517365008 924135260 /nfs/dbraw/zinc/13/52/60/924135260.db2.gz PXTXKFRSFJIIKO-NSHDSACASA-N 0 0 405.476 4.017 20 5 HIBDRN O=C(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000517369411 924137937 /nfs/dbraw/zinc/13/79/37/924137937.db2.gz XMRJOUSFJUXURF-UHFFFAOYSA-N 0 0 416.372 4.406 20 5 HIBDRN O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000517403889 924159318 /nfs/dbraw/zinc/15/93/18/924159318.db2.gz IXALIRKOGPPKOJ-YOEHRIQHSA-N 0 0 400.232 4.125 20 5 HIBDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000517427933 924176875 /nfs/dbraw/zinc/17/68/75/924176875.db2.gz INVFAXKKRLUHJM-BTYIYWSLSA-N 0 0 404.413 4.008 20 5 HIBDRN Cc1nn(CCC(=O)NCC2(Sc3ccccc3)CCCC2)c(C)c1[N+](=O)[O-] ZINC000517568979 926684783 /nfs/dbraw/zinc/68/47/83/926684783.db2.gz HWZJNRFOGMAPBR-UHFFFAOYSA-N 0 0 402.520 4.020 20 5 HIBDRN CCCn1c(C)c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c2cc(OC)ccc21 ZINC000517604117 926711753 /nfs/dbraw/zinc/71/17/53/926711753.db2.gz BBWNLMREEPQEDT-UHFFFAOYSA-N 0 0 411.458 4.085 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2nnc(C3CCCC3)n2C[C@@H]2CCCO2)C2CC2)cc1 ZINC000517638661 926746734 /nfs/dbraw/zinc/74/67/34/926746734.db2.gz WEAJGDUTBWWDBN-FQEVSTJZSA-N 0 0 411.506 4.192 20 5 HIBDRN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000517643012 926751320 /nfs/dbraw/zinc/75/13/20/926751320.db2.gz PEUXHEOAZIBJAD-LRDDRELGSA-N 0 0 407.426 4.370 20 5 HIBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C[C@@H](C)O1 ZINC000517677878 926783102 /nfs/dbraw/zinc/78/31/02/926783102.db2.gz NWFKFSJNRWIBNW-GDBMZVCRSA-N 0 0 400.431 4.035 20 5 HIBDRN CCOc1cc(Br)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1OCC ZINC000517727444 926815767 /nfs/dbraw/zinc/81/57/67/926815767.db2.gz KYBDGNDAXNOSGH-UHFFFAOYSA-N 0 0 424.251 4.110 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000517775511 926830779 /nfs/dbraw/zinc/83/07/79/926830779.db2.gz VAVCUHIQDLKAFK-IEBWSBKVSA-N 0 0 403.866 4.010 20 5 HIBDRN O=[N+]([O-])c1ccc(NCc2ccc(F)cc2C(F)(F)F)c(F)c1N1CCOCC1 ZINC000517779918 926832722 /nfs/dbraw/zinc/83/27/22/926832722.db2.gz GZLKACZZHKUOEK-UHFFFAOYSA-N 0 0 417.334 4.341 20 5 HIBDRN O=C(Cc1nc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cs1)Nc1ccccc1 ZINC000517797172 926840376 /nfs/dbraw/zinc/84/03/76/926840376.db2.gz GSIGGRRIPWXJIO-UHFFFAOYSA-N 0 0 419.466 4.144 20 5 HIBDRN O=C(COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])N[C@H]1CCOc2ccccc21 ZINC000517912556 926888657 /nfs/dbraw/zinc/88/86/57/926888657.db2.gz UOAVCONDXHYGFB-IBGZPJMESA-N 0 0 404.422 4.281 20 5 HIBDRN COc1cc(CS(=O)(=O)[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000517950895 926899905 /nfs/dbraw/zinc/89/99/05/926899905.db2.gz AUHLPCHSLUYUPD-SNVBAGLBSA-N 0 0 419.377 4.020 20 5 HIBDRN COc1ccc([C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(F)cc2)cc1 ZINC000517964467 926908016 /nfs/dbraw/zinc/90/80/16/926908016.db2.gz MEOVSKRLXKZOHN-QHCPKHFHSA-N 0 0 423.444 4.369 20 5 HIBDRN COc1ccc([C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(F)cc2)cc1 ZINC000517964466 926908988 /nfs/dbraw/zinc/90/89/88/926908988.db2.gz MEOVSKRLXKZOHN-HSZRJFAPSA-N 0 0 423.444 4.369 20 5 HIBDRN COCCOc1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000518064221 927001389 /nfs/dbraw/zinc/00/13/89/927001389.db2.gz YNOKDHQDHXJGBU-UHFFFAOYSA-N 0 0 421.453 4.484 20 5 HIBDRN CCC(CC)[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000518071113 927006341 /nfs/dbraw/zinc/00/63/41/927006341.db2.gz HSRWOKLTVGFDBZ-SFHVURJKSA-N 0 0 403.866 4.480 20 5 HIBDRN Cn1cc2c(n1)CCC[C@H]2NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000518221478 927087468 /nfs/dbraw/zinc/08/74/68/927087468.db2.gz DUUFJGRQPWFRSW-LJQANCHMSA-N 0 0 407.430 4.320 20 5 HIBDRN Cc1cc(C)n(-c2ccccc2NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000518250378 927107396 /nfs/dbraw/zinc/10/73/96/927107396.db2.gz CBFAQOUKYBNBST-UHFFFAOYSA-N 0 0 418.457 4.243 20 5 HIBDRN Cn1c(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000518253521 927109819 /nfs/dbraw/zinc/10/98/19/927109819.db2.gz REZMRQXZHMHFKA-UHFFFAOYSA-N 0 0 401.854 4.322 20 5 HIBDRN O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4cccnc4OCC(F)F)no3)cc21 ZINC000518254723 927112019 /nfs/dbraw/zinc/11/20/19/927112019.db2.gz HZTONILVMZVRHL-UHFFFAOYSA-N 0 0 420.375 4.437 20 5 HIBDRN Cc1cccc(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000518311758 927173479 /nfs/dbraw/zinc/17/34/79/927173479.db2.gz QWAIYWHEQKOANB-GOSISDBHSA-N 0 0 401.894 4.341 20 5 HIBDRN CCCc1[nH]nc(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)c1[N+](=O)[O-] ZINC000518329195 927192992 /nfs/dbraw/zinc/19/29/92/927192992.db2.gz QNHOAVQUDOLGIV-UHFFFAOYSA-N 0 0 403.439 4.018 20 5 HIBDRN COc1ccccc1Oc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000518378395 927229362 /nfs/dbraw/zinc/22/93/62/927229362.db2.gz YXJZUNYWFDAFCS-UHFFFAOYSA-N 0 0 422.437 4.481 20 5 HIBDRN CCCN(CC1CCCCC1)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000518377783 927229880 /nfs/dbraw/zinc/22/98/80/927229880.db2.gz QQWYUNGUMRPTTE-UHFFFAOYSA-N 0 0 407.511 4.156 20 5 HIBDRN COc1ccccc1-c1cccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000518422763 927259878 /nfs/dbraw/zinc/25/98/78/927259878.db2.gz UZXNVPUXCBNEDZ-UHFFFAOYSA-N 0 0 414.439 4.080 20 5 HIBDRN CCc1cc(N2CCC[C@H](OCC(F)(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000518454445 927286889 /nfs/dbraw/zinc/28/68/89/927286889.db2.gz JXJKIHMCYJKLMM-INIZCTEOSA-N 0 0 410.396 4.162 20 5 HIBDRN C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccn2)c1 ZINC000518479046 927297965 /nfs/dbraw/zinc/29/79/65/927297965.db2.gz GQQBNXOVOPORNE-KRWDZBQOSA-N 0 0 420.469 4.172 20 5 HIBDRN CCOc1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000518500530 927312572 /nfs/dbraw/zinc/31/25/72/927312572.db2.gz WAMVGFZMNNKJRG-UHFFFAOYSA-N 0 0 401.419 4.186 20 5 HIBDRN O=[N+]([O-])c1cc(C[S@](=O)Cc2csc(C3CCCC3)n2)c2c(c1)COCO2 ZINC000518514146 927319900 /nfs/dbraw/zinc/31/99/00/927319900.db2.gz CHFQHKGFADTYRC-MHZLTWQESA-N 0 0 408.501 4.024 20 5 HIBDRN COc1ccc2oc([C@@H](C)NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c(C)c2c1 ZINC000518576290 927356313 /nfs/dbraw/zinc/35/63/13/927356313.db2.gz RQYUKJMPLLSIQA-CYBMUJFWSA-N 0 0 404.444 4.006 20 5 HIBDRN CC(C)c1ccc(C(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000518587552 927365438 /nfs/dbraw/zinc/36/54/38/927365438.db2.gz QYGSHLPKGOBWAC-DOTOQJQBSA-N 0 0 400.500 4.359 20 5 HIBDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)O[C@@H](C)C2 ZINC000518605855 927374186 /nfs/dbraw/zinc/37/41/86/927374186.db2.gz ZMKXSEDUGBOMHI-SLSDUTBNSA-N 0 0 421.453 4.084 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccco1)Cc1ccco1 ZINC000518636957 927395624 /nfs/dbraw/zinc/39/56/24/927395624.db2.gz ABIZYTMKNWLNLD-UHFFFAOYSA-N 0 0 408.414 4.217 20 5 HIBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000518661523 927412652 /nfs/dbraw/zinc/41/26/52/927412652.db2.gz KHSCXZMGIZLGHC-BEFAXECRSA-N 0 0 424.906 4.003 20 5 HIBDRN COc1ccc(OC)c(-c2csc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)c1 ZINC000518714842 927451161 /nfs/dbraw/zinc/45/11/61/927451161.db2.gz JLADTFIFRODJAZ-UHFFFAOYSA-N 0 0 424.438 4.469 20 5 HIBDRN Cc1c(NCc2nc(Cc3cccc(Br)c3)no2)cccc1[N+](=O)[O-] ZINC000518791427 927495460 /nfs/dbraw/zinc/49/54/60/927495460.db2.gz RQJMAUVJUBEZTN-UHFFFAOYSA-N 0 0 403.236 4.252 20 5 HIBDRN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518793599 927496639 /nfs/dbraw/zinc/49/66/39/927496639.db2.gz RJGIVOVIORUKPS-UHFFFAOYSA-N 0 0 409.421 4.280 20 5 HIBDRN Cc1c(NC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC000518842127 927543222 /nfs/dbraw/zinc/54/32/22/927543222.db2.gz HXEZQQUGLXOXLX-FQEVSTJZSA-N 0 0 418.453 4.275 20 5 HIBDRN C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)cs1 ZINC000518890436 927602954 /nfs/dbraw/zinc/60/29/54/927602954.db2.gz GCORRUWZBMHMKK-CQSZACIVSA-N 0 0 411.487 4.183 20 5 HIBDRN Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cc(C)cc([N+](=O)[O-])c3)c2)cc1 ZINC000518893634 927604069 /nfs/dbraw/zinc/60/40/69/927604069.db2.gz GHMQDPFBWQWAQK-UHFFFAOYSA-N 0 0 417.465 4.072 20 5 HIBDRN CCOC(=O)Cn1ccc2cc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc21 ZINC000518910762 927620260 /nfs/dbraw/zinc/62/02/60/927620260.db2.gz UKTCAOUTBKUKAS-UHFFFAOYSA-N 0 0 401.806 4.018 20 5 HIBDRN CCOC(=O)C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000518929376 927637045 /nfs/dbraw/zinc/63/70/45/927637045.db2.gz PKNHXKIOMLWWMW-FZKQIMNGSA-N 0 0 420.462 4.025 20 5 HIBDRN CC[C@H]1CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000518964247 927661480 /nfs/dbraw/zinc/66/14/80/927661480.db2.gz JEQBPZYZZYCDAJ-IBGZPJMESA-N 0 0 404.470 4.391 20 5 HIBDRN COc1ccc(CNC(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000518984613 927676206 /nfs/dbraw/zinc/67/62/06/927676206.db2.gz CUWCHPXQYQRRCQ-AWEZNQCLSA-N 0 0 421.856 4.313 20 5 HIBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(F)(c2cccnc2)CC1 ZINC000519008464 927688358 /nfs/dbraw/zinc/68/83/58/927688358.db2.gz HLTGTXWQIFQDJT-UHFFFAOYSA-N 0 0 412.446 4.214 20 5 HIBDRN C[C@H](Nc1ccc(C(=O)N2CCOc3ccccc32)cc1[N+](=O)[O-])c1ccccn1 ZINC000519050070 927725921 /nfs/dbraw/zinc/72/59/21/927725921.db2.gz YABUDFPIAYSHJM-HNNXBMFYSA-N 0 0 404.426 4.202 20 5 HIBDRN Cc1ccc(CN(Cc2ccco2)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000519049770 927726167 /nfs/dbraw/zinc/72/61/67/927726167.db2.gz FDHGTTMYTIIGFG-UHFFFAOYSA-N 0 0 400.412 4.129 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C ZINC000519092130 927764884 /nfs/dbraw/zinc/76/48/84/927764884.db2.gz IQGJMIFYVAEJKB-OAHLLOKOSA-N 0 0 411.458 4.179 20 5 HIBDRN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000519094925 927766569 /nfs/dbraw/zinc/76/65/69/927766569.db2.gz NOQGIYFDFUMLFJ-UHFFFAOYSA-N 0 0 405.439 4.465 20 5 HIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(Cc1ccco1)c1ccc(F)cc1F ZINC000519101000 927771072 /nfs/dbraw/zinc/77/10/72/927771072.db2.gz PWHGBVHGAMZZLG-UHFFFAOYSA-N 0 0 424.363 4.499 20 5 HIBDRN COc1ccc(CNc2nnc(SCCOc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000519104376 927774331 /nfs/dbraw/zinc/77/43/31/927774331.db2.gz NJBZKRAKGJMXPF-UHFFFAOYSA-N 0 0 418.500 4.238 20 5 HIBDRN CC[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000519121947 927788097 /nfs/dbraw/zinc/78/80/97/927788097.db2.gz WXUKLEVKXHEJBW-INIZCTEOSA-N 0 0 402.520 4.477 20 5 HIBDRN COc1ccccc1CCN(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000519139309 927802035 /nfs/dbraw/zinc/80/20/35/927802035.db2.gz FHXVRSOUZPCDEK-KRWDZBQOSA-N 0 0 411.502 4.154 20 5 HIBDRN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000519533249 928009466 /nfs/dbraw/zinc/00/94/66/928009466.db2.gz HMGGZSHAEFUPJF-OAHLLOKOSA-N 0 0 417.893 4.421 20 5 HIBDRN COC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3)c2C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000519578622 928024696 /nfs/dbraw/zinc/02/46/96/928024696.db2.gz LQVIPKCTFYTNOS-UHFFFAOYSA-N 0 0 422.441 4.251 20 5 HIBDRN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000519692502 928050728 /nfs/dbraw/zinc/05/07/28/928050728.db2.gz ANMGCYFZYNOILD-AWEZNQCLSA-N 0 0 405.882 4.067 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c1 ZINC000519786535 928074797 /nfs/dbraw/zinc/07/47/97/928074797.db2.gz BZSCAZRHRVVSEB-UHFFFAOYSA-N 0 0 415.449 4.287 20 5 HIBDRN C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000519784880 928075689 /nfs/dbraw/zinc/07/56/89/928075689.db2.gz NCKCJBMDYIDMOF-VOJFVSQTSA-N 0 0 410.804 4.058 20 5 HIBDRN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000519784884 928075925 /nfs/dbraw/zinc/07/59/25/928075925.db2.gz NCKCJBMDYIDMOF-ZMZPIMSZSA-N 0 0 410.804 4.058 20 5 HIBDRN CCCN([C@H](C)c1ccccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000519891591 928125168 /nfs/dbraw/zinc/12/51/68/928125168.db2.gz IMKVLMGWENLNNP-CYBMUJFWSA-N 0 0 412.895 4.419 20 5 HIBDRN COc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000519891823 928126999 /nfs/dbraw/zinc/12/69/99/928126999.db2.gz VBMWGOQAUMJIIM-NSHDSACASA-N 0 0 418.393 4.004 20 5 HIBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCCOCC1 ZINC000519902979 928137928 /nfs/dbraw/zinc/13/79/28/928137928.db2.gz KXMQDPCSBJBSGG-SAPNQHFASA-N 0 0 423.494 4.384 20 5 HIBDRN Cc1nc(-c2ccc(CNC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2)cs1 ZINC000520007943 928233508 /nfs/dbraw/zinc/23/35/08/928233508.db2.gz JMLSAOQLVXUFMU-UHFFFAOYSA-N 0 0 419.466 4.142 20 5 HIBDRN COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cc1[N+](=O)[O-] ZINC000520010517 928235008 /nfs/dbraw/zinc/23/50/08/928235008.db2.gz DHVVSDRHQDLWNQ-OAHLLOKOSA-N 0 0 411.458 4.179 20 5 HIBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000520020249 928243636 /nfs/dbraw/zinc/24/36/36/928243636.db2.gz FZEZIWFIROEBGP-DYVFJYSZSA-N 0 0 406.841 4.388 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000520020250 928243681 /nfs/dbraw/zinc/24/36/81/928243681.db2.gz FZEZIWFIROEBGP-SUMWQHHRSA-N 0 0 406.841 4.388 20 5 HIBDRN Cc1ccc(OCCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c(Br)c1 ZINC000520021466 928245954 /nfs/dbraw/zinc/24/59/54/928245954.db2.gz MKKRRBBVZBPNEH-UHFFFAOYSA-N 0 0 405.248 4.024 20 5 HIBDRN C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc2ccccc2n1C(F)F ZINC000520096679 928307920 /nfs/dbraw/zinc/30/79/20/928307920.db2.gz QMROTKFBPAMDMB-LBPRGKRZSA-N 0 0 413.384 4.172 20 5 HIBDRN Nc1c(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc(F)cc1[N+](=O)[O-] ZINC000520105949 928314764 /nfs/dbraw/zinc/31/47/64/928314764.db2.gz HHKOASPVOVMQRK-UHFFFAOYSA-N 0 0 416.796 4.196 20 5 HIBDRN CCN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000520107146 928315422 /nfs/dbraw/zinc/31/54/22/928315422.db2.gz RHFISIFMTLZVQM-GOSISDBHSA-N 0 0 400.431 4.037 20 5 HIBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000520155463 928349029 /nfs/dbraw/zinc/34/90/29/928349029.db2.gz IZFAOAQDZHKXBR-NSHDSACASA-N 0 0 418.393 4.004 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000520156484 928349156 /nfs/dbraw/zinc/34/91/56/928349156.db2.gz LRMAMKCBGGQZHG-GFCCVEGCSA-N 0 0 402.394 4.304 20 5 HIBDRN CCc1cccc2c1N(C(=O)c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc1)CC2 ZINC000520191720 928378274 /nfs/dbraw/zinc/37/82/74/928378274.db2.gz SVORAUHAPZXIBN-UHFFFAOYSA-N 0 0 404.470 4.222 20 5 HIBDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000520227418 928401410 /nfs/dbraw/zinc/40/14/10/928401410.db2.gz ZQDQGNGPYKIHBF-GFCCVEGCSA-N 0 0 419.363 4.028 20 5 HIBDRN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000520227956 928401536 /nfs/dbraw/zinc/40/15/36/928401536.db2.gz KTTNUXMHEKAEON-UHFFFAOYSA-N 0 0 423.816 4.269 20 5 HIBDRN CC(=O)N[C@H](CC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)c1ccc(C)cc1 ZINC000520314724 928477192 /nfs/dbraw/zinc/47/71/92/928477192.db2.gz MRPRACMSZVGNRI-JOCHJYFZSA-N 0 0 409.486 4.446 20 5 HIBDRN COC(=O)[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 ZINC000520332102 928496823 /nfs/dbraw/zinc/49/68/23/928496823.db2.gz AGWZBBFAXANILW-GOSISDBHSA-N 0 0 411.439 4.044 20 5 HIBDRN CCc1nc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)cs1 ZINC000520370454 928526342 /nfs/dbraw/zinc/52/63/42/928526342.db2.gz OIJPNMPLLVWHHF-UHFFFAOYSA-N 0 0 400.508 4.165 20 5 HIBDRN COc1ccc(CC(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)cc1[N+](=O)[O-] ZINC000520375983 928529832 /nfs/dbraw/zinc/52/98/32/928529832.db2.gz RSYULCMSOXWQJD-UHFFFAOYSA-N 0 0 411.433 4.173 20 5 HIBDRN CC(C)Oc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000520382135 928534835 /nfs/dbraw/zinc/53/48/35/928534835.db2.gz YFAHFHKYNVQMHJ-CQSZACIVSA-N 0 0 406.866 4.162 20 5 HIBDRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C ZINC000520418688 928556560 /nfs/dbraw/zinc/55/65/60/928556560.db2.gz IUSJCAJJICDBAC-UHFFFAOYSA-N 0 0 417.443 4.053 20 5 HIBDRN COc1ccc(Oc2cc(CNC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)ccn2)cc1 ZINC000562397105 945069491 /nfs/dbraw/zinc/06/94/91/945069491.db2.gz RZJLYOBVUOLZBN-OAHLLOKOSA-N 0 0 407.426 4.211 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000520436437 928564338 /nfs/dbraw/zinc/56/43/38/928564338.db2.gz XOHCGIQOTFUCFB-IBGZPJMESA-N 0 0 417.874 4.433 20 5 HIBDRN O=[N+]([O-])c1cc(CN2CCO[C@]3(CCCOC3)C2)ccc1Oc1ccccc1Cl ZINC000520460091 928578504 /nfs/dbraw/zinc/57/85/04/928578504.db2.gz WQUXNBSDVNBLMO-OAQYLSRUSA-N 0 0 418.877 4.422 20 5 HIBDRN CC(C)(C)c1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n(-c2ccccn2)n1 ZINC000520529934 928621983 /nfs/dbraw/zinc/62/19/83/928621983.db2.gz QVBNQNRULAOZDL-UHFFFAOYSA-N 0 0 404.430 4.207 20 5 HIBDRN COc1ccc(CC(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000520574475 928648269 /nfs/dbraw/zinc/64/82/69/928648269.db2.gz NMCWBUFIJAIMHD-HNNXBMFYSA-N 0 0 409.442 4.079 20 5 HIBDRN CCOc1cc(NC(=O)N2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC ZINC000520584807 928654604 /nfs/dbraw/zinc/65/46/04/928654604.db2.gz OFOMNCQKSJQHDM-INIZCTEOSA-N 0 0 414.462 4.111 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(OC(F)F)cc1F ZINC000520651463 928700811 /nfs/dbraw/zinc/70/08/11/928700811.db2.gz SLWOPHWZWRTVAO-UHFFFAOYSA-N 0 0 408.336 4.181 20 5 HIBDRN CCOc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000520678792 928725110 /nfs/dbraw/zinc/72/51/10/928725110.db2.gz OKECBWBBZXFPSU-NWDGAFQWSA-N 0 0 420.849 4.376 20 5 HIBDRN O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000520682200 928730859 /nfs/dbraw/zinc/73/08/59/928730859.db2.gz XRPJNWTVVYUKJZ-UHFFFAOYSA-N 0 0 424.384 4.075 20 5 HIBDRN COc1cc([C@@H](C)NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC(C)C ZINC000520710628 928759706 /nfs/dbraw/zinc/75/97/06/928759706.db2.gz CEYAMHWGDRSZJQ-OAHLLOKOSA-N 0 0 424.457 4.067 20 5 HIBDRN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)o1 ZINC000520710813 928760206 /nfs/dbraw/zinc/76/02/06/928760206.db2.gz UYOSLYKVMYMQEK-LIRRHRJNSA-N 0 0 406.442 4.302 20 5 HIBDRN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000520713746 928763001 /nfs/dbraw/zinc/76/30/01/928763001.db2.gz CZKNIDHJPXPGRO-NRFANRHFSA-N 0 0 406.442 4.157 20 5 HIBDRN COCCCN(Cc1ccncc1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000520718697 928768101 /nfs/dbraw/zinc/76/81/01/928768101.db2.gz UGJJLSUMPLRJIQ-UHFFFAOYSA-N 0 0 420.469 4.412 20 5 HIBDRN CCN(C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000520730788 928779634 /nfs/dbraw/zinc/77/96/34/928779634.db2.gz AWQGVCYWEBDNNL-CYBMUJFWSA-N 0 0 407.492 4.146 20 5 HIBDRN C[C@@H](Nc1ccc(C(=O)N(C)[C@H](C)c2ccncc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000520769788 928809075 /nfs/dbraw/zinc/80/90/75/928809075.db2.gz MMLFQKYRQNFTKA-HZPDHXFCSA-N 0 0 405.458 4.391 20 5 HIBDRN COc1ccccc1[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000520800052 928823855 /nfs/dbraw/zinc/82/38/55/928823855.db2.gz ANCYYNUYASYHMG-DEOSSOPVSA-N 0 0 415.449 4.464 20 5 HIBDRN O=C(CC1CCC(c2ccccc2)CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000520803125 928825564 /nfs/dbraw/zinc/82/55/64/928825564.db2.gz UXKDAVGDOTWSGQ-UHFFFAOYSA-N 0 0 408.502 4.003 20 5 HIBDRN CCOc1cc(NC(=O)N2CCC(C3CCOCC3)CC2)c([N+](=O)[O-])cc1OCC ZINC000520956514 928888502 /nfs/dbraw/zinc/88/85/02/928888502.db2.gz WDTWPZLGQJWIFF-UHFFFAOYSA-N 0 0 421.494 4.063 20 5 HIBDRN O=C(COc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1)Nc1ccccc1 ZINC000520967399 928894320 /nfs/dbraw/zinc/89/43/20/928894320.db2.gz XWJPPWQWAVVAOH-UHFFFAOYSA-N 0 0 409.373 4.004 20 5 HIBDRN O=C(Nc1ccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1)c1cccs1 ZINC000520970496 928895979 /nfs/dbraw/zinc/89/59/79/928895979.db2.gz LQGQZDCWNWUKNM-SFHVURJKSA-N 0 0 422.466 4.126 20 5 HIBDRN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000520971334 928896177 /nfs/dbraw/zinc/89/61/77/928896177.db2.gz GFGFJIYWURKXLM-NSHDSACASA-N 0 0 420.256 4.316 20 5 HIBDRN O=C(Nc1ccc(NCCc2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000521018660 928936770 /nfs/dbraw/zinc/93/67/70/928936770.db2.gz SABSIYMMJIIIAP-UHFFFAOYSA-N 0 0 419.437 4.273 20 5 HIBDRN CC[C@H](C)CN(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000521083041 928980919 /nfs/dbraw/zinc/98/09/19/928980919.db2.gz POXIPLOVYNVFAK-KRWDZBQOSA-N 0 0 406.486 4.495 20 5 HIBDRN Cc1nc2c(s1)[C@H](N(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000521110534 929001486 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COc1ccc(CC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000525483307 930271938 /nfs/dbraw/zinc/27/19/38/930271938.db2.gz LBSYNTQHDSCPAV-INIZCTEOSA-N 0 0 402.756 4.219 20 5 HIBDRN COc1ccc(Br)cc1S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000525519374 930298303 /nfs/dbraw/zinc/29/83/03/930298303.db2.gz NLNHLNHKDLLTIO-SNVBAGLBSA-N 0 0 411.277 4.485 20 5 HIBDRN COc1cc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000525555901 930324067 /nfs/dbraw/zinc/32/40/67/930324067.db2.gz LJTGPCDTXVYGFP-LJQANCHMSA-N 0 0 406.438 4.326 20 5 HIBDRN COc1ccc2nc(C)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)c2c1 ZINC000525559930 930328014 /nfs/dbraw/zinc/32/80/14/930328014.db2.gz RXLAFXDCDISUFS-UHFFFAOYSA-N 0 0 403.341 4.314 20 5 HIBDRN CCO[C@H]1C[C@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCCCC2 ZINC000525638232 930376928 /nfs/dbraw/zinc/37/69/28/930376928.db2.gz YSVHIORDVGUNOO-ROUUACIJSA-N 0 0 400.479 4.205 20 5 HIBDRN COc1ccc(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000525759651 930434469 /nfs/dbraw/zinc/43/44/69/930434469.db2.gz HLCRAGDCLUXTFI-KRWDZBQOSA-N 0 0 406.866 4.104 20 5 HIBDRN C[C@H](NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000525937838 930490314 /nfs/dbraw/zinc/49/03/14/930490314.db2.gz ZLJXJAAHNZHXLT-KBPBESRZSA-N 0 0 402.882 4.371 20 5 HIBDRN Cc1ccc([C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c2ccccn2)cc1 ZINC000526920788 930549625 /nfs/dbraw/zinc/54/96/25/930549625.db2.gz SJYIABABEDPKSW-QFIPXVFZSA-N 0 0 402.454 4.156 20 5 HIBDRN CCOc1cc(N2CCN(C(=O)c3ccccc3SCC)CC2)ccc1[N+](=O)[O-] ZINC000527016133 930569118 /nfs/dbraw/zinc/56/91/18/930569118.db2.gz OOTGBFUOAYYZSK-UHFFFAOYSA-N 0 0 415.515 4.068 20 5 HIBDRN CN(CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)CC(F)F ZINC000527259723 930621577 /nfs/dbraw/zinc/62/15/77/930621577.db2.gz ZILIARXMKQNGJB-UHFFFAOYSA-N 0 0 409.458 4.015 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000527260265 930621905 /nfs/dbraw/zinc/62/19/05/930621905.db2.gz BJAVXCKGRWECSH-UHFFFAOYSA-N 0 0 412.345 4.243 20 5 HIBDRN CCc1onc(-c2ccccc2Cl)c1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000530283075 930675393 /nfs/dbraw/zinc/67/53/93/930675393.db2.gz LARZOJCFGUIDHF-UHFFFAOYSA-N 0 0 415.833 4.274 20 5 HIBDRN O=C(NCc1nc2cccnc2[nH]1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000530294622 930678212 /nfs/dbraw/zinc/67/82/12/930678212.db2.gz QKFNMPJKMHLNFH-UHFFFAOYSA-N 0 0 411.487 4.078 20 5 HIBDRN COc1ccc(CC(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc1[N+](=O)[O-] ZINC000530349173 930689584 /nfs/dbraw/zinc/68/95/84/930689584.db2.gz MNSWIEKEPVTANI-UHFFFAOYSA-N 0 0 410.411 4.049 20 5 HIBDRN C[C@H](NC(=O)CN(Cc1ccccc1)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000530574357 930756142 /nfs/dbraw/zinc/75/61/42/930756142.db2.gz RGDOLCLLOGIHMX-IBGZPJMESA-N 0 0 403.482 4.474 20 5 HIBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000530619273 930774341 /nfs/dbraw/zinc/77/43/41/930774341.db2.gz KRQXACFTJRUNIH-SFHVURJKSA-N 0 0 419.359 4.309 20 5 HIBDRN O=C1[C@H](N[C@@H](c2cccs2)c2ccc(F)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000530716905 930806803 /nfs/dbraw/zinc/80/68/03/930806803.db2.gz NRMNMFQPLAXZTK-UYAOXDASSA-N 0 0 411.458 4.280 20 5 HIBDRN C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000530776444 930821029 /nfs/dbraw/zinc/82/10/29/930821029.db2.gz QEDNLULGMUDHAO-JTQLQIEISA-N 0 0 408.245 4.298 20 5 HIBDRN CC[C@H](C)c1ccc(N(C[C@@H]2CCOC2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000530872942 930844827 /nfs/dbraw/zinc/84/48/27/930844827.db2.gz OEVHXLHGYLYUBL-IRXDYDNUSA-N 0 0 418.515 4.340 20 5 HIBDRN CN([C@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000530904310 930855276 /nfs/dbraw/zinc/85/52/76/930855276.db2.gz ZLCGCBIQZKWJQC-IBGZPJMESA-N 0 0 417.874 4.053 20 5 HIBDRN Cc1cnn(-c2ccccc2)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000531032396 930890514 /nfs/dbraw/zinc/89/05/14/930890514.db2.gz IYTRZYAWCRDIQS-UHFFFAOYSA-N 0 0 415.247 4.033 20 5 HIBDRN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000531033547 930891479 /nfs/dbraw/zinc/89/14/79/930891479.db2.gz NVPRDHGFDXYEKN-LBPRGKRZSA-N 0 0 403.410 4.096 20 5 HIBDRN Cc1cc(C(=O)Nc2nccn2Cc2ccc(Br)cc2)cc([N+](=O)[O-])c1 ZINC000531041019 930894310 /nfs/dbraw/zinc/89/43/10/930894310.db2.gz MADNYXBVLYMRHK-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000531260774 930985369 /nfs/dbraw/zinc/98/53/69/930985369.db2.gz PNZVQVRRSIXTFQ-UHFFFAOYSA-N 0 0 409.398 4.074 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000531279632 930996764 /nfs/dbraw/zinc/99/67/64/930996764.db2.gz HGVKUADKICYUJI-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN COc1cc(C(=O)Nc2cc(Cl)cc(C)c2O)c([N+](=O)[O-])cc1OC(F)F ZINC000531351367 931027457 /nfs/dbraw/zinc/02/74/57/931027457.db2.gz CIJRRDMKJDZKOR-UHFFFAOYSA-N 0 0 402.737 4.125 20 5 HIBDRN Cc1c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1F ZINC000531459680 931066096 /nfs/dbraw/zinc/06/60/96/931066096.db2.gz YCFHUMPWDLZYJC-LBPRGKRZSA-N 0 0 400.385 4.167 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000531499425 931079455 /nfs/dbraw/zinc/07/94/55/931079455.db2.gz OAMUSHVVPPMCOH-UHFFFAOYSA-N 0 0 424.478 4.438 20 5 HIBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000531504866 931082552 /nfs/dbraw/zinc/08/25/52/931082552.db2.gz DKVLHMRJOBETBA-UHFFFAOYSA-N 0 0 424.478 4.140 20 5 HIBDRN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cn(-c2ccccc2)nn1 ZINC000531609327 931123377 /nfs/dbraw/zinc/12/33/77/931123377.db2.gz KJHWCUIVWMPRCY-AWEZNQCLSA-N 0 0 406.471 4.150 20 5 HIBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000531625042 931131398 /nfs/dbraw/zinc/13/13/98/931131398.db2.gz UUBFTCRYJOVQTH-UHFFFAOYSA-N 0 0 423.513 4.386 20 5 HIBDRN O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000531628719 931132376 /nfs/dbraw/zinc/13/23/76/931132376.db2.gz NLYGANHWKNHKJG-OAQYLSRUSA-N 0 0 416.437 4.219 20 5 HIBDRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000531828868 931210756 /nfs/dbraw/zinc/21/07/56/931210756.db2.gz KEFPWFRVOWNVSZ-KRWDZBQOSA-N 0 0 412.490 4.483 20 5 HIBDRN CCc1c(C(=O)COc2c(C)cc(Br)cc2[N+](=O)[O-])[nH]c(C)c1C(C)=O ZINC000531850264 931219816 /nfs/dbraw/zinc/21/98/16/931219816.db2.gz SYEFGBPTNDQTGA-UHFFFAOYSA-N 0 0 423.263 4.329 20 5 HIBDRN O=[N+]([O-])c1cccc(Cl)c1OCc1nnc(-c2ccc(Br)o2)o1 ZINC000531858596 931224225 /nfs/dbraw/zinc/22/42/25/931224225.db2.gz RSNBVZIGDFGYNE-UHFFFAOYSA-N 0 0 400.572 4.233 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]4COCC[C@@H]43)cc2[N+](=O)[O-])n1 ZINC000532054270 931299313 /nfs/dbraw/zinc/29/93/13/931299313.db2.gz WMUSSRVQJXHMTM-CABCVRRESA-N 0 0 419.528 4.152 20 5 HIBDRN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000532118709 931320105 /nfs/dbraw/zinc/32/01/05/931320105.db2.gz XIFVSVBJPDPLGD-HOTGVXAUSA-N 0 0 405.495 4.118 20 5 HIBDRN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc([N+](=O)[O-])cn1 ZINC000532143628 931327858 /nfs/dbraw/zinc/32/78/58/931327858.db2.gz UVOPJAZCEIUVPH-UHFFFAOYSA-N 0 0 405.233 4.128 20 5 HIBDRN Cc1nn(C)c(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1[N+](=O)[O-] ZINC000532165684 931334430 /nfs/dbraw/zinc/33/44/30/931334430.db2.gz LSYQXFMFXPKJNQ-UHFFFAOYSA-N 0 0 411.365 4.031 20 5 HIBDRN COc1ccc(CNC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c(C)c1 ZINC000532243400 931369148 /nfs/dbraw/zinc/36/91/48/931369148.db2.gz MRSGMYJSUVTGRF-MRXNPFEDSA-N 0 0 420.469 4.410 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000532312445 931394926 /nfs/dbraw/zinc/39/49/26/931394926.db2.gz HIZSDWIRRGLPCE-UHFFFAOYSA-N 0 0 414.433 4.133 20 5 HIBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(OC)ccc2O)cc1 ZINC000532342177 931401339 /nfs/dbraw/zinc/40/13/39/931401339.db2.gz VYWAEMBKJNHALX-UHFFFAOYSA-N 0 0 410.382 4.362 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000532518100 931471503 /nfs/dbraw/zinc/47/15/03/931471503.db2.gz HVIIHHGBJWBIBV-KPZWWZAWSA-N 0 0 424.284 4.302 20 5 HIBDRN COCC1(NC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 ZINC000532553056 931520441 /nfs/dbraw/zinc/52/04/41/931520441.db2.gz RUEHCLKWIMIYFO-UHFFFAOYSA-N 0 0 423.828 4.158 20 5 HIBDRN CCn1c(SCCCn2c(=O)[nH]c3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000532635285 931562953 /nfs/dbraw/zinc/56/29/53/931562953.db2.gz NQUKDFGGCUQRCM-UHFFFAOYSA-N 0 0 424.486 4.111 20 5 HIBDRN O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccccc1Br)C1CCCC1 ZINC000532673303 931579145 /nfs/dbraw/zinc/57/91/45/931579145.db2.gz DNCVISUYPICQKG-UHFFFAOYSA-N 0 0 404.264 4.337 20 5 HIBDRN COc1cc(CN(CCO)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000532728855 931613553 /nfs/dbraw/zinc/61/35/53/931613553.db2.gz MCRSFBAQDZDODK-QGZVFWFLSA-N 0 0 422.428 4.077 20 5 HIBDRN Cc1c(C(=O)N(C)Cc2cccc(Cl)c2Cl)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000532737132 931618024 /nfs/dbraw/zinc/61/80/24/931618024.db2.gz RIATXNBXACBNHR-UHFFFAOYSA-N 0 0 420.256 4.063 20 5 HIBDRN 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ZINC000539532134 938874315 /nfs/dbraw/zinc/87/43/15/938874315.db2.gz ANRFPSHMNIKTGZ-UHFFFAOYSA-N 0 0 409.421 4.425 20 5 HIBDRN O=C(N[C@H]1CCCOc2cc(F)ccc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000539682515 938899998 /nfs/dbraw/zinc/89/99/98/938899998.db2.gz QHFBBTSIWJKTLC-AWEZNQCLSA-N 0 0 409.211 4.140 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000539743566 938918563 /nfs/dbraw/zinc/91/85/63/938918563.db2.gz AYTBTKXNONEPJT-AWEZNQCLSA-N 0 0 415.519 4.111 20 5 HIBDRN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539747662 938919856 /nfs/dbraw/zinc/91/98/56/938919856.db2.gz VUHSDXSFRFUDCU-AWEZNQCLSA-N 0 0 417.897 4.434 20 5 HIBDRN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000539816792 938941203 /nfs/dbraw/zinc/94/12/03/938941203.db2.gz CDAGGSXLFVQOFT-QVKFZJNVSA-N 0 0 410.449 4.096 20 5 HIBDRN COc1ccc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1[N+](=O)[O-] ZINC000539826230 938946790 /nfs/dbraw/zinc/94/67/90/938946790.db2.gz CFYZDCVMRCJDCB-UHFFFAOYSA-N 0 0 408.376 4.116 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC000539845853 938956131 /nfs/dbraw/zinc/95/61/31/938956131.db2.gz JEZHIINUTAPTBB-INIZCTEOSA-N 0 0 421.457 4.169 20 5 HIBDRN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@H]2C1 ZINC000539901129 938973489 /nfs/dbraw/zinc/97/34/89/938973489.db2.gz OYUGAMXFVQJTPJ-WNYOCNMUSA-N 0 0 406.866 4.277 20 5 HIBDRN CCn1nnnc1-c1cccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000539930595 938978527 /nfs/dbraw/zinc/97/85/27/938978527.db2.gz DJFYYZACZVOINX-UHFFFAOYSA-N 0 0 407.459 4.004 20 5 HIBDRN CCn1c2cc(Br)ccc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000540052284 939051273 /nfs/dbraw/zinc/05/12/73/939051273.db2.gz SWZKMBNASYVSTG-UHFFFAOYSA-N 0 0 407.199 4.118 20 5 HIBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCO[C@H](C(C)C)C3)cc2[N+](=O)[O-])n1 ZINC000540123885 939081218 /nfs/dbraw/zinc/08/12/18/939081218.db2.gz 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O=C(CN[C@@H](COc1ccccc1F)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000540367695 939213231 /nfs/dbraw/zinc/21/32/31/939213231.db2.gz GRFFZEDVOMHMJQ-IBGZPJMESA-N 0 0 409.417 4.082 20 5 HIBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc(OC)c1OC ZINC000540398253 939234446 /nfs/dbraw/zinc/23/44/46/939234446.db2.gz PPLWWHIRCGKVLL-UHFFFAOYSA-N 0 0 406.460 4.373 20 5 HIBDRN CC(C)(NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1Br ZINC000540424528 939243317 /nfs/dbraw/zinc/24/33/17/939243317.db2.gz PNYJPHGGRSXRGS-UHFFFAOYSA-N 0 0 417.263 4.432 20 5 HIBDRN COc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1OC ZINC000540435191 939247989 /nfs/dbraw/zinc/24/79/89/939247989.db2.gz FWDVCPSWAIWFCG-UHFFFAOYSA-N 0 0 418.515 4.475 20 5 HIBDRN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000540445196 939253056 /nfs/dbraw/zinc/25/30/56/939253056.db2.gz QTNYDHFCBPDHSW-PXNSSMCTSA-N 0 0 415.877 4.108 20 5 HIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000540446467 939253441 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O=C([C@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000540606997 939318257 /nfs/dbraw/zinc/31/82/57/939318257.db2.gz JTYZREUNDQQQBY-YLJYHZDGSA-N 0 0 413.271 4.151 20 5 HIBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000540622427 939322137 /nfs/dbraw/zinc/32/21/37/939322137.db2.gz JOGBUGNTJPVTQI-JXFKEZNVSA-N 0 0 422.840 4.111 20 5 HIBDRN Cc1ccc(-c2ccnn2C)cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000540630241 939324047 /nfs/dbraw/zinc/32/40/47/939324047.db2.gz JLSCHZZLDCRYFV-ZDUSSCGKSA-N 0 0 413.865 4.396 20 5 HIBDRN COC(=O)Cc1ccccc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000540751323 939358827 /nfs/dbraw/zinc/35/88/27/939358827.db2.gz CJHJIPNMKQEQDB-UHFFFAOYSA-N 0 0 419.437 4.175 20 5 HIBDRN Cc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1[N+](=O)[O-] ZINC000540752150 939359417 /nfs/dbraw/zinc/35/94/17/939359417.db2.gz VESDFEIODHEWMW-UHFFFAOYSA-N 0 0 408.380 4.172 20 5 HIBDRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 ZINC000540751981 939359477 /nfs/dbraw/zinc/35/94/77/939359477.db2.gz UUIQBOVUEQOHSW-UHFFFAOYSA-N 0 0 424.478 4.438 20 5 HIBDRN Cc1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])nn1-c1cccc(Cl)c1 ZINC000540788830 939373066 /nfs/dbraw/zinc/37/30/66/939373066.db2.gz LXCRMRJJPALYAZ-UHFFFAOYSA-N 0 0 400.822 4.150 20 5 HIBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000540790199 939373611 /nfs/dbraw/zinc/37/36/11/939373611.db2.gz KYEOIIFKUYFDPO-HXUWFJFHSA-N 0 0 416.452 4.324 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540798947 939376428 /nfs/dbraw/zinc/37/64/28/939376428.db2.gz PZLYLPMYXUCBDW-NQIIRXRSSA-N 0 0 419.884 4.270 20 5 HIBDRN CC(C)N1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540801464 939377632 /nfs/dbraw/zinc/37/76/32/939377632.db2.gz YVSNDRPZFLFGGJ-PZJWPPBQSA-N 0 0 419.884 4.270 20 5 HIBDRN CC(C)N1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540802018 939378163 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O=[N+]([O-])c1ccccc1OC[C@H](O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000541262778 939488254 /nfs/dbraw/zinc/48/82/54/939488254.db2.gz VSIHAAACZIOKAC-JTQLQIEISA-N 0 0 408.785 4.194 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000541270841 939488634 /nfs/dbraw/zinc/48/86/34/939488634.db2.gz SVDYBZNYTNJMPR-AUUYWEPGSA-N 0 0 406.891 4.234 20 5 HIBDRN Cc1nc(-c2cccc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])c2)n[nH]1 ZINC000541283996 939489267 /nfs/dbraw/zinc/48/92/67/939489267.db2.gz GRFCHGJGCLIVDO-UHFFFAOYSA-N 0 0 403.851 4.073 20 5 HIBDRN CC(C)C(=O)Nc1ccc(C(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000541287078 939489420 /nfs/dbraw/zinc/48/94/20/939489420.db2.gz OCPCODIOFZLXNM-UHFFFAOYSA-N 0 0 410.348 4.470 20 5 HIBDRN CCCC(=O)Nc1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000541292038 939489679 /nfs/dbraw/zinc/48/96/79/939489679.db2.gz CPALTILCURZUJJ-UHFFFAOYSA-N 0 0 421.906 4.395 20 5 HIBDRN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nn1[C@H](C)C1CC1 ZINC000541300510 939490064 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4.382 20 5 HIBDRN Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000541584605 939560777 /nfs/dbraw/zinc/56/07/77/939560777.db2.gz LCQMILYEONDYQD-FOIQADDNSA-N 0 0 416.449 4.345 20 5 HIBDRN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)c21 ZINC000541590762 939561836 /nfs/dbraw/zinc/56/18/36/939561836.db2.gz NLISGZBAAQGWOH-CQSZACIVSA-N 0 0 420.404 4.111 20 5 HIBDRN CSc1cnn(-c2ccccc2)c1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541624209 939573625 /nfs/dbraw/zinc/57/36/25/939573625.db2.gz DOQWYCNLXJXYNH-LBPRGKRZSA-N 0 0 400.435 4.384 20 5 HIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541634384 939577714 /nfs/dbraw/zinc/57/77/14/939577714.db2.gz CVQCDCZPKMWYJA-UVIMBBFXSA-N 0 0 422.840 4.191 20 5 HIBDRN Cc1csc([C@@H](C)CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000541651940 939588466 /nfs/dbraw/zinc/58/84/66/939588466.db2.gz XGBXKIRJOAOVSN-JTQLQIEISA-N 0 0 416.425 4.100 20 5 HIBDRN Cc1ccccc1C1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000541658556 939591744 /nfs/dbraw/zinc/59/17/44/939591744.db2.gz FPYBBECFYSBGNG-UHFFFAOYSA-N 0 0 404.470 4.324 20 5 HIBDRN COCCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000541725562 939614653 /nfs/dbraw/zinc/61/46/53/939614653.db2.gz DSNXEIQJOLMPQM-UHFFFAOYSA-N 0 0 422.547 4.145 20 5 HIBDRN C[C@@H]1N(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000541768571 939625812 /nfs/dbraw/zinc/62/58/12/939625812.db2.gz MGHQSLPRHUBMAD-KRWDZBQOSA-N 0 0 409.486 4.238 20 5 HIBDRN COCCNc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 ZINC000541787783 939630740 /nfs/dbraw/zinc/63/07/40/939630740.db2.gz XUFHPLVTARBOGD-UHFFFAOYSA-N 0 0 403.504 4.084 20 5 HIBDRN O=C(Cc1ccc(NCCc2ccc([N+](=O)[O-])cc2)cc1)N1CCc2ccccc21 ZINC000541799453 939635875 /nfs/dbraw/zinc/63/58/75/939635875.db2.gz ICSNLXXOWQNWAN-UHFFFAOYSA-N 0 0 401.466 4.381 20 5 HIBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(Cc2cscn2)c2ccccc2)c1 ZINC000541802210 939637219 /nfs/dbraw/zinc/63/72/19/939637219.db2.gz XXDSAYFUIGAXDH-UHFFFAOYSA-N 0 0 403.485 4.064 20 5 HIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000563711102 945261627 /nfs/dbraw/zinc/26/16/27/945261627.db2.gz YCSCWHJSKFQKMW-UHFFFAOYSA-N 0 0 412.364 4.207 20 5 HIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cccc(OC)c1OC ZINC000541864317 939647864 /nfs/dbraw/zinc/64/78/64/939647864.db2.gz NMSOTZCMBWYURN-UHFFFAOYSA-N 0 0 404.488 4.087 20 5 HIBDRN C[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000541917163 939653295 /nfs/dbraw/zinc/65/32/95/939653295.db2.gz DGUVYEDNDAIOFE-FZKQIMNGSA-N 0 0 423.391 4.458 20 5 HIBDRN CSc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1 ZINC000541922584 939655131 /nfs/dbraw/zinc/65/51/31/939655131.db2.gz IAWOETQWORWOJO-AWEZNQCLSA-N 0 0 421.544 4.274 20 5 HIBDRN O=C(Nc1cc(F)c(Br)c(F)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541941207 939658709 /nfs/dbraw/zinc/65/87/09/939658709.db2.gz JGPSRVXWLSKNSG-UHFFFAOYSA-N 0 0 423.116 4.489 20 5 HIBDRN Cc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2F)C(C)C)cc1[N+](=O)[O-] ZINC000541971207 939666235 /nfs/dbraw/zinc/66/62/35/939666235.db2.gz IEQZVRDBESGKHI-KRWDZBQOSA-N 0 0 407.829 4.148 20 5 HIBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000541970762 939666249 /nfs/dbraw/zinc/66/62/49/939666249.db2.gz CLTBPGQDZXLNQY-KRWDZBQOSA-N 0 0 407.829 4.148 20 5 HIBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(c3c[nH]cn3)CC2)cc1OC ZINC000541983885 939669979 /nfs/dbraw/zinc/66/99/79/939669979.db2.gz KVAMHDHCCMYXEF-HNNXBMFYSA-N 0 0 402.495 4.131 20 5 HIBDRN COc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000542001386 939676819 /nfs/dbraw/zinc/67/68/19/939676819.db2.gz LIVBSABYXYRZNO-UHFFFAOYSA-N 0 0 420.347 4.369 20 5 HIBDRN O=[N+]([O-])c1ccc(CN(c2nccs2)S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000542005539 939681168 /nfs/dbraw/zinc/68/11/68/939681168.db2.gz WFSPKXWBRLEYQN-UHFFFAOYSA-N 0 0 409.876 4.100 20 5 HIBDRN O=c1c(Br)cc(C(F)(F)F)cn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542004937 939681507 /nfs/dbraw/zinc/68/15/07/939681507.db2.gz DBYAODJVNANFNZ-UHFFFAOYSA-N 0 0 411.561 4.240 20 5 HIBDRN COc1cc(CN2Cc3ccccc3OC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000542018658 939688047 /nfs/dbraw/zinc/68/80/47/939688047.db2.gz XJCVNYRRJRCVQB-CYBMUJFWSA-N 0 0 408.401 4.030 20 5 HIBDRN COc1ccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000542035793 939694521 /nfs/dbraw/zinc/69/45/21/939694521.db2.gz SNZJNKPKIDVGNG-UHFFFAOYSA-N 0 0 417.849 4.384 20 5 HIBDRN C[C@H](NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000542053742 939700253 /nfs/dbraw/zinc/70/02/53/939700253.db2.gz QTLGMOLIJHDDSF-UGSOOPFHSA-N 0 0 423.391 4.458 20 5 HIBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccc(COCC(F)(F)F)cc1 ZINC000542194919 939752565 /nfs/dbraw/zinc/75/25/65/939752565.db2.gz HZIOEELVHWOXEW-UHFFFAOYSA-N 0 0 414.405 4.082 20 5 HIBDRN C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1noc(-c2ccc(Cl)cc2)n1 ZINC000542232912 939767081 /nfs/dbraw/zinc/76/70/81/939767081.db2.gz YLERBENBXXHNSQ-NSHDSACASA-N 0 0 418.862 4.268 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000542265303 939777604 /nfs/dbraw/zinc/77/76/04/939777604.db2.gz NEYVINFOFUSYPY-ZDUSSCGKSA-N 0 0 410.293 4.466 20 5 HIBDRN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000542317027 939797888 /nfs/dbraw/zinc/79/78/88/939797888.db2.gz OLZAIRLVWGAHJH-FQEVSTJZSA-N 0 0 418.280 4.443 20 5 HIBDRN COc1cc(C(=O)N2CC[C@@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000542322139 939799973 /nfs/dbraw/zinc/79/99/73/939799973.db2.gz GQDOCRUGCCEVQD-CQSZACIVSA-N 0 0 406.385 4.143 20 5 HIBDRN CC(C)(O)CN(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542367266 939808721 /nfs/dbraw/zinc/80/87/21/939808721.db2.gz AZELWRMHZAQJLB-UHFFFAOYSA-N 0 0 408.907 4.140 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1OC[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000563736071 945274020 /nfs/dbraw/zinc/27/40/20/945274020.db2.gz ZPQCJAWRHRSIGV-RDPSFJRHSA-N 0 0 423.465 4.458 20 5 HIBDRN Cc1c(Br)c(N[C@H](C)c2ccc(-n3cccn3)cc2)ncc1[N+](=O)[O-] ZINC000542506736 939834263 /nfs/dbraw/zinc/83/42/63/939834263.db2.gz KGFYOTYFTGNICJ-GFCCVEGCSA-N 0 0 402.252 4.420 20 5 HIBDRN Cc1c(Br)c(N2CCC[C@H]2Cn2cnc3ccccc32)ncc1[N+](=O)[O-] ZINC000542508016 939834486 /nfs/dbraw/zinc/83/44/86/939834486.db2.gz QOGBHRZWSYLORH-ZDUSSCGKSA-N 0 0 416.279 4.079 20 5 HIBDRN Cc1c(Br)c(NCc2ccc(O)c(Br)c2)ncc1[N+](=O)[O-] ZINC000542508027 939834540 /nfs/dbraw/zinc/83/45/40/939834540.db2.gz VNHPXSRJSVKUMG-UHFFFAOYSA-N 0 0 417.057 4.141 20 5 HIBDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000542514175 939835279 /nfs/dbraw/zinc/83/52/79/939835279.db2.gz AIMHENWANCCHOF-YJYMSZOUSA-N 0 0 402.422 4.218 20 5 HIBDRN C[C@H](C(=O)N(CC(=O)OC(C)(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000542512534 939835394 /nfs/dbraw/zinc/83/53/94/939835394.db2.gz RSSBRANVCZERTN-AWEZNQCLSA-N 0 0 402.422 4.212 20 5 HIBDRN C[C@H](C(=O)N(C)Cc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1F ZINC000542533909 939839155 /nfs/dbraw/zinc/83/91/55/939839155.db2.gz ZXQXTVKOXKFARE-JTQLQIEISA-N 0 0 413.218 4.398 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000542538899 939840187 /nfs/dbraw/zinc/84/01/87/939840187.db2.gz RQSNXTALEVGUAT-HNNXBMFYSA-N 0 0 413.449 4.348 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542546482 939841779 /nfs/dbraw/zinc/84/17/79/939841779.db2.gz ZAHBUIMJPSFMQO-KFWWJZLASA-N 0 0 401.438 4.090 20 5 HIBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542560608 939843920 /nfs/dbraw/zinc/84/39/20/939843920.db2.gz SDSQLLPLBNCRLV-LPHOPBHVSA-N 0 0 422.840 4.193 20 5 HIBDRN CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542586841 939846464 /nfs/dbraw/zinc/84/64/64/939846464.db2.gz HSHRHULLNQODNA-UWJYYQICSA-N 0 0 411.433 4.136 20 5 HIBDRN 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Cc1c(C(=O)NC2CCC(c3ccc(F)cc3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000542862600 939863948 /nfs/dbraw/zinc/86/39/48/939863948.db2.gz FYZWEQLFNMJYON-UHFFFAOYSA-N 0 0 423.448 4.079 20 5 HIBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCN(CC2CC2)c2ccccc21 ZINC000542864981 939864125 /nfs/dbraw/zinc/86/41/25/939864125.db2.gz QJKOYYGHWPOPRM-UHFFFAOYSA-N 0 0 403.385 4.073 20 5 HIBDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000542874198 939864623 /nfs/dbraw/zinc/86/46/23/939864623.db2.gz DFXSENMDYGGWQG-VQIMIIECSA-N 0 0 420.412 4.402 20 5 HIBDRN COc1cccc(C[C@H]2CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000542912857 939876801 /nfs/dbraw/zinc/87/68/01/939876801.db2.gz WTPGHODBXHIMAC-OAHLLOKOSA-N 0 0 406.385 4.052 20 5 HIBDRN COc1ccc(NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1[N+](=O)[O-] ZINC000542957636 939885831 /nfs/dbraw/zinc/88/58/31/939885831.db2.gz QRXPUMJSJGXCEV-UHFFFAOYSA-N 0 0 419.865 4.127 20 5 HIBDRN COc1ccc(NC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000542959208 939886186 /nfs/dbraw/zinc/88/61/86/939886186.db2.gz SUBBRWWAHQMOIX-NSHDSACASA-N 0 0 413.352 4.427 20 5 HIBDRN COc1cc(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000542976665 939889945 /nfs/dbraw/zinc/88/99/45/939889945.db2.gz DUKSDCPCXFQJOU-UHFFFAOYSA-N 0 0 410.373 4.320 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(Sc3nnc(C(F)F)n3C)c([N+](=O)[O-])c2)cc1 ZINC000543050015 939909273 /nfs/dbraw/zinc/90/92/73/939909273.db2.gz DFIXGSWXUUHIGG-UHFFFAOYSA-N 0 0 419.413 4.373 20 5 HIBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC000543080562 939930808 /nfs/dbraw/zinc/93/08/08/939930808.db2.gz BNPVBFROBIPHIL-UHFFFAOYSA-N 0 0 410.376 4.077 20 5 HIBDRN Cc1ccc(C2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)cn1 ZINC000543082645 939932613 /nfs/dbraw/zinc/93/26/13/939932613.db2.gz OTGXEJBFOWFMAW-UHFFFAOYSA-N 0 0 404.264 4.081 20 5 HIBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000543113260 939952274 /nfs/dbraw/zinc/95/22/74/939952274.db2.gz RCHSNAZREJZVMZ-UHFFFAOYSA-N 0 0 408.285 4.183 20 5 HIBDRN C/C(=C\c1nc(-c2ccc(CN3CCOCC3)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000543117512 939954631 /nfs/dbraw/zinc/95/46/31/939954631.db2.gz JVEVSQQIIVCYRP-JQIJEIRASA-N 0 0 406.442 4.038 20 5 HIBDRN CCCc1c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cnn1C1CCCC1 ZINC000543130801 939962534 /nfs/dbraw/zinc/96/25/34/939962534.db2.gz SSWQYHGJPNOYAN-UHFFFAOYSA-N 0 0 404.898 4.485 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000543131455 939963243 /nfs/dbraw/zinc/96/32/43/939963243.db2.gz NUAIWZGTBXOSJT-UHFFFAOYSA-N 0 0 412.421 4.072 20 5 HIBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCN(c2ccccc2)CC1 ZINC000543141608 939967411 /nfs/dbraw/zinc/96/74/11/939967411.db2.gz UOOSXTMLLQQIID-UHFFFAOYSA-N 0 0 405.907 4.079 20 5 HIBDRN COCCOc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000543152297 939975370 /nfs/dbraw/zinc/97/53/70/939975370.db2.gz MTYYSOMWLMSNLT-UHFFFAOYSA-N 0 0 414.842 4.143 20 5 HIBDRN Cc1nc(C2(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CCCCCC2)no1 ZINC000543153388 939977026 /nfs/dbraw/zinc/97/70/26/939977026.db2.gz IOKVMTMEUDFUEI-UHFFFAOYSA-N 0 0 424.910 4.398 20 5 HIBDRN CCOCCOc1c(Cl)cccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000543159836 939980370 /nfs/dbraw/zinc/98/03/70/939980370.db2.gz HJRZSIASLYRNCJ-UHFFFAOYSA-N 0 0 410.879 4.394 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000543177023 939985812 /nfs/dbraw/zinc/98/58/12/939985812.db2.gz FBVMJQKFHMEULC-QGZVFWFLSA-N 0 0 421.400 4.082 20 5 HIBDRN CC(C)n1nnnc1-c1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000543267701 940013067 /nfs/dbraw/zinc/01/30/67/940013067.db2.gz JEOWGGSIIMPIBF-UHFFFAOYSA-N 0 0 408.443 4.296 20 5 HIBDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2-c2nnnn2C(C)C)cc1[N+](=O)[O-] ZINC000543358041 940041080 /nfs/dbraw/zinc/04/10/80/940041080.db2.gz ABOKVRMKBKYYQZ-CQSZACIVSA-N 0 0 409.450 4.020 20 5 HIBDRN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000543373599 940045380 /nfs/dbraw/zinc/04/53/80/940045380.db2.gz VDYZNZVFWSXMKK-YWZLYKJASA-N 0 0 406.442 4.012 20 5 HIBDRN CCc1ccc([C@@H](N[C@@H]2CCN(c3ncccc3F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403858 940052824 /nfs/dbraw/zinc/05/28/24/940052824.db2.gz WZNBSUILICIGGF-IERDGZPVSA-N 0 0 410.449 4.242 20 5 HIBDRN CCc1ccc([C@H](N[C@H]2CCN(c3ncccc3F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403857 940052891 /nfs/dbraw/zinc/05/28/91/940052891.db2.gz WZNBSUILICIGGF-HRAATJIYSA-N 0 0 410.449 4.242 20 5 HIBDRN CCc1ccc([C@H](N[C@@H]2CCN(c3ncccc3F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403859 940052898 /nfs/dbraw/zinc/05/28/98/940052898.db2.gz WZNBSUILICIGGF-IIBYNOLFSA-N 0 0 410.449 4.242 20 5 HIBDRN O=C(Nc1ccc(-n2cnnn2)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543440916 940064776 /nfs/dbraw/zinc/06/47/76/940064776.db2.gz QXFUEHFYISIXLO-UHFFFAOYSA-N 0 0 424.486 4.105 20 5 HIBDRN CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)[C@H]2CCO[C@@H]21 ZINC000543442013 940065204 /nfs/dbraw/zinc/06/52/04/940065204.db2.gz MKTHREGBRVVQAZ-LZQZEXGQSA-N 0 0 404.532 4.420 20 5 HIBDRN Cc1c(Br)c(N2CCC(OCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000543449900 940066656 /nfs/dbraw/zinc/06/66/56/940066656.db2.gz VWZWLSBGUJSPJP-UHFFFAOYSA-N 0 0 406.280 4.246 20 5 HIBDRN CC[C@@H](N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1nccs1 ZINC000543453133 940067582 /nfs/dbraw/zinc/06/75/82/940067582.db2.gz FBGVPTASZNRVQD-SMDDNHRTSA-N 0 0 417.516 4.243 20 5 HIBDRN COc1cc(CN[C@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543463904 940071971 /nfs/dbraw/zinc/07/19/71/940071971.db2.gz XBUGLVQVYXQBBH-KRWDZBQOSA-N 0 0 413.446 4.253 20 5 HIBDRN O=[N+]([O-])c1cnc2c(c1)CN(Cc1coc(-c3ccc(C(F)(F)F)cc3)n1)CC2 ZINC000543477168 940077237 /nfs/dbraw/zinc/07/72/37/940077237.db2.gz MAMPJNPOUIQMPB-UHFFFAOYSA-N 0 0 404.348 4.222 20 5 HIBDRN Cc1cccc(Oc2ccc(NC(=O)CN3CCc4ncc([N+](=O)[O-])cc4C3)cc2)c1 ZINC000543479109 940077527 /nfs/dbraw/zinc/07/75/27/940077527.db2.gz ZJQWFVFDXUPJJE-UHFFFAOYSA-N 0 0 418.453 4.087 20 5 HIBDRN C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000543478451 940077750 /nfs/dbraw/zinc/07/77/50/940077750.db2.gz CPMSVELDVAYJHJ-MRXNPFEDSA-N 0 0 418.453 4.167 20 5 HIBDRN C[C@H](C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543482940 940079012 /nfs/dbraw/zinc/07/90/12/940079012.db2.gz BQUJPDGCSADSCR-GLZQIGESSA-N 0 0 407.239 4.272 20 5 HIBDRN O=C(Nc1nc2ccc(F)cn2n1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543486385 940080046 /nfs/dbraw/zinc/08/00/46/940080046.db2.gz NPSMODMSIAGURO-UHFFFAOYSA-N 0 0 415.450 4.311 20 5 HIBDRN Cc1csc([C@@H](C)CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000543514358 940091803 /nfs/dbraw/zinc/09/18/03/940091803.db2.gz ZUHMNCJESPTHPY-AWEZNQCLSA-N 0 0 402.520 4.130 20 5 HIBDRN C[C@@H](C(=O)Nc1ccccc1NC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000543538167 940098232 /nfs/dbraw/zinc/09/82/32/940098232.db2.gz FJOFJEKFYAUTCK-CYBMUJFWSA-N 0 0 400.410 4.104 20 5 HIBDRN Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543540118 940099199 /nfs/dbraw/zinc/09/91/99/940099199.db2.gz ROXDROXBQBLVMH-SFHVURJKSA-N 0 0 414.531 4.418 20 5 HIBDRN C[C@H](C(=O)N1CCc2c(Br)cccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000543553774 940106715 /nfs/dbraw/zinc/10/67/15/940106715.db2.gz XRCNYYSTJGEDNY-NSHDSACASA-N 0 0 407.239 4.185 20 5 HIBDRN C[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543579865 940118205 /nfs/dbraw/zinc/11/82/05/940118205.db2.gz FSQUZAJKXPPUAT-KQPNJSLMSA-N 0 0 423.847 4.192 20 5 HIBDRN CS(=O)(=O)N1CCc2c1cccc2N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000543636250 940144095 /nfs/dbraw/zinc/14/40/95/940144095.db2.gz GYMGEUAWAFRSRO-QFIPXVFZSA-N 0 0 423.494 4.118 20 5 HIBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000543637390 940144994 /nfs/dbraw/zinc/14/49/94/940144994.db2.gz QMCPDPNPVAHKCI-INIZCTEOSA-N 0 0 424.226 4.102 20 5 HIBDRN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000543641016 940146562 /nfs/dbraw/zinc/14/65/62/940146562.db2.gz AWTGZNAEGHNONZ-GOSISDBHSA-N 0 0 401.438 4.298 20 5 HIBDRN C[C@H](C(=O)Nc1nc(Sc2ccccc2)ns1)c1ccc([N+](=O)[O-])cc1F ZINC000543642097 940147161 /nfs/dbraw/zinc/14/71/61/940147161.db2.gz RNOYPDIEBZYEQL-JTQLQIEISA-N 0 0 404.448 4.479 20 5 HIBDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)Nc3ccc([N+](=O)[O-])cc3F)n2)cc1F ZINC000543643990 940147512 /nfs/dbraw/zinc/14/75/12/940147512.db2.gz CKZKEZHXWYDEJT-SNVBAGLBSA-N 0 0 403.345 4.114 20 5 HIBDRN C[C@@H](C(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543655498 940151762 /nfs/dbraw/zinc/15/17/62/940151762.db2.gz FOBSZPBFGKVMEG-KGLIPLIRSA-N 0 0 421.419 4.021 20 5 HIBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1ccccc1)C(F)(F)F ZINC000543709331 940167901 /nfs/dbraw/zinc/16/79/01/940167901.db2.gz OZHAXURSWWNKHE-OAHLLOKOSA-N 0 0 401.772 4.394 20 5 HIBDRN Cc1cc2sc(NC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)nc2cc1F ZINC000563785570 945301069 /nfs/dbraw/zinc/30/10/69/945301069.db2.gz ALGWLAIAHIFUGQ-UHFFFAOYSA-N 0 0 402.407 4.079 20 5 HIBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)n1 ZINC000543790889 940187732 /nfs/dbraw/zinc/18/77/32/940187732.db2.gz AQPUHBPHDURXCJ-UHFFFAOYSA-N 0 0 409.515 4.052 20 5 HIBDRN CCCN1C(=O)CCc2cc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)ccc21 ZINC000543796013 940189507 /nfs/dbraw/zinc/18/95/07/940189507.db2.gz HZPZJPCRJORVNA-UHFFFAOYSA-N 0 0 419.384 4.138 20 5 HIBDRN Cc1c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cnn1-c1ccccc1F ZINC000543815927 940196081 /nfs/dbraw/zinc/19/60/81/940196081.db2.gz HAAOZDWDOVLOAH-UHFFFAOYSA-N 0 0 406.320 4.082 20 5 HIBDRN Cc1c(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2F)C(C)C)cccc1[N+](=O)[O-] ZINC000543822751 940198624 /nfs/dbraw/zinc/19/86/24/940198624.db2.gz FEQJMPUJCDREOS-QGZVFWFLSA-N 0 0 407.829 4.148 20 5 HIBDRN COc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000543848936 940207735 /nfs/dbraw/zinc/20/77/35/940207735.db2.gz CCONGCLXULEFAO-UHFFFAOYSA-N 0 0 405.410 4.416 20 5 HIBDRN COc1ccc(NC(=O)Cc2ccc(OCCOc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000543853464 940209613 /nfs/dbraw/zinc/20/96/13/940209613.db2.gz XRCMPMVVQXBYIV-UHFFFAOYSA-N 0 0 422.437 4.242 20 5 HIBDRN CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543859109 940212986 /nfs/dbraw/zinc/21/29/86/940212986.db2.gz JTWIJQPRSMCSDE-UHFFFAOYSA-N 0 0 415.799 4.015 20 5 HIBDRN COc1ccc(Oc2cc(CNC(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)ccn2)cc1 ZINC000543888938 940227187 /nfs/dbraw/zinc/22/71/87/940227187.db2.gz KOMAKOOQQZNKAH-UHFFFAOYSA-N 0 0 424.413 4.121 20 5 HIBDRN COc1ccc(NC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000543892099 940229872 /nfs/dbraw/zinc/22/98/72/940229872.db2.gz MGBUGZOZNXOBJJ-LLVKDONJSA-N 0 0 420.263 4.345 20 5 HIBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000543900455 940233097 /nfs/dbraw/zinc/23/30/97/940233097.db2.gz ADGOFPLOFINSQT-CYBMUJFWSA-N 0 0 408.336 4.034 20 5 HIBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(F)cc1Nc1ccccc1F ZINC000544027041 940303673 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O=[N+]([O-])c1ccc(C(F)(F)F)c(CSc2nnnn2Cc2cccs2)c1 ZINC000549338747 941181043 /nfs/dbraw/zinc/18/10/43/941181043.db2.gz CGKUCBOQIKGYTK-UHFFFAOYSA-N 0 0 401.395 4.002 20 5 HIBDRN CCOCCCn1c(-c2ccccc2C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000549356937 941182327 /nfs/dbraw/zinc/18/23/27/941182327.db2.gz ZDPYJZCPNTVLQL-UHFFFAOYSA-N 0 0 409.490 4.225 20 5 HIBDRN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000549365317 941182911 /nfs/dbraw/zinc/18/29/11/941182911.db2.gz AFAJIVPBJWHQJK-GOSISDBHSA-N 0 0 413.865 4.105 20 5 HIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000549434794 941189643 /nfs/dbraw/zinc/18/96/43/941189643.db2.gz GEROEFRSMINMFB-UHFFFAOYSA-N 0 0 417.473 4.134 20 5 HIBDRN Cc1ccc(CN(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)s1 ZINC000549503508 941196990 /nfs/dbraw/zinc/19/69/90/941196990.db2.gz JSXWKVJQYORAEV-KRWDZBQOSA-N 0 0 413.503 4.039 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000549547293 941198989 /nfs/dbraw/zinc/19/89/89/941198989.db2.gz XVBRBGSZCXVNNU-NRFANRHFSA-N 0 0 408.433 4.102 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000549572625 941199975 /nfs/dbraw/zinc/19/99/75/941199975.db2.gz XQXWBOADJTXMHF-LJQANCHMSA-N 0 0 419.428 4.458 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N3C[C@]4(CCCO4)[C@H]3C3CC3)c([N+](=O)[O-])c2)cc1 ZINC000549684602 941204455 /nfs/dbraw/zinc/20/44/55/941204455.db2.gz ZXELMOJCYASRFV-FYYLOGMGSA-N 0 0 407.470 4.303 20 5 HIBDRN C[C@H](CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC1)c1ccccc1 ZINC000549701665 941205090 /nfs/dbraw/zinc/20/50/90/941205090.db2.gz URFYZJCELQVTRQ-QZTJIDSGSA-N 0 0 421.501 4.130 20 5 HIBDRN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)Cc1ccc(C)s1 ZINC000549747236 941206284 /nfs/dbraw/zinc/20/62/84/941206284.db2.gz QMFABWUSUMUBLC-UHFFFAOYSA-N 0 0 415.519 4.286 20 5 HIBDRN CCN(CC(=O)Nc1ccccc1OC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549750708 941206412 /nfs/dbraw/zinc/20/64/12/941206412.db2.gz OAXVXDAJRZLJPE-UHFFFAOYSA-N 0 0 411.380 4.083 20 5 HIBDRN O=C(NCc1cc(-c2ccccc2)on1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000549767568 941206900 /nfs/dbraw/zinc/20/69/00/941206900.db2.gz OYJMFRLRKAYRPH-UHFFFAOYSA-N 0 0 421.331 4.121 20 5 HIBDRN CN(C)c1ccc([N+](=O)[O-])c(OC[C@@H](O)COC(c2ccccc2)c2ccccc2)c1 ZINC000549809515 941208003 /nfs/dbraw/zinc/20/80/03/941208003.db2.gz SQZZSMYHKAECRC-OAQYLSRUSA-N 0 0 422.481 4.207 20 5 HIBDRN C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)CC12CCC2 ZINC000549868408 941220767 /nfs/dbraw/zinc/22/07/67/941220767.db2.gz GUDGXIHLNXKHJP-LPHOPBHVSA-N 0 0 411.506 4.049 20 5 HIBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)F)c2cccc(Cl)c2)c(Cl)c1 ZINC000549994405 941261756 /nfs/dbraw/zinc/26/17/56/941261756.db2.gz OWVDUOCHJNRMQT-UHFFFAOYSA-N 0 0 411.213 4.362 20 5 HIBDRN CN(CCc1ccccc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 ZINC000550000000 941262558 /nfs/dbraw/zinc/26/25/58/941262558.db2.gz KYOCXJKEVQKOBL-NRFANRHFSA-N 0 0 421.501 4.101 20 5 HIBDRN CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550169507 941292986 /nfs/dbraw/zinc/29/29/86/941292986.db2.gz YIPHAIOYNUOBSG-UHFFFAOYSA-N 0 0 406.364 4.195 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000550178495 941294269 /nfs/dbraw/zinc/29/42/69/941294269.db2.gz JRWNSSULNYVBQK-UHFFFAOYSA-N 0 0 415.247 4.163 20 5 HIBDRN CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccc(OC)c(OC)c1 ZINC000550222496 941301157 /nfs/dbraw/zinc/30/11/57/941301157.db2.gz MXMMJOXNNTWZMB-UHFFFAOYSA-N 0 0 423.263 4.350 20 5 HIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1cccc(OC(F)F)c1 ZINC000550648902 941350014 /nfs/dbraw/zinc/35/00/14/941350014.db2.gz NNUMNLCJUFAFSE-UHFFFAOYSA-N 0 0 415.190 4.197 20 5 HIBDRN CCOCCOc1c(Cl)cccc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000550681204 941353726 /nfs/dbraw/zinc/35/37/26/941353726.db2.gz MMASRUMXDOFMBL-UHFFFAOYSA-N 0 0 419.865 4.254 20 5 HIBDRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550808982 941369280 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HIBDRN O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2cccc(Cl)c2)c1 ZINC000551709894 941530629 /nfs/dbraw/zinc/53/06/29/941530629.db2.gz KMILNFUOHKNYFR-UHFFFAOYSA-N 0 0 409.829 4.170 20 5 HIBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000551762369 941541007 /nfs/dbraw/zinc/54/10/07/941541007.db2.gz RROAWBBBLVNTRL-QGZVFWFLSA-N 0 0 422.403 4.478 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000552043354 941572804 /nfs/dbraw/zinc/57/28/04/941572804.db2.gz JQNHLPLFUKUABX-FQEVSTJZSA-N 0 0 422.485 4.163 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1nc2cc(Cl)ccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000552049326 941573890 /nfs/dbraw/zinc/57/38/90/941573890.db2.gz TWCINBTZRPLDLI-SFHVURJKSA-N 0 0 413.890 4.471 20 5 HIBDRN Cc1ccc(CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC(F)(F)F)cc1 ZINC000552063695 941576913 /nfs/dbraw/zinc/57/69/13/941576913.db2.gz JKJKJJJINFHTRL-UHFFFAOYSA-N 0 0 410.392 4.377 20 5 HIBDRN C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000552062220 941577307 /nfs/dbraw/zinc/57/73/07/941577307.db2.gz QANGMRYHIWLLSA-IFXJQAMLSA-N 0 0 400.866 4.128 20 5 HIBDRN Cn1ccnc1[C@H](NC[C@H](c1ccccc1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552066344 941578324 /nfs/dbraw/zinc/57/83/24/941578324.db2.gz GHXWDUBVPDUJOZ-QZTJIDSGSA-N 0 0 404.392 4.353 20 5 HIBDRN Cn1ccnc1[C@@H](NCc1ccccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552068068 941578583 /nfs/dbraw/zinc/57/85/83/941578583.db2.gz HJVBKPPPGLIQGJ-QFIPXVFZSA-N 0 0 405.502 4.198 20 5 HIBDRN COc1ccc(NC(=O)c2cc(F)c(Br)c(Cl)c2)cc1[N+](=O)[O-] ZINC000552145523 941593368 /nfs/dbraw/zinc/59/33/68/941593368.db2.gz ZZFMLURWSJUPSJ-UHFFFAOYSA-N 0 0 403.591 4.411 20 5 HIBDRN COc1ccc(CC(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000552242714 941612238 /nfs/dbraw/zinc/61/22/38/941612238.db2.gz FUURXKHHAYPVPZ-FQEVSTJZSA-N 0 0 418.877 4.083 20 5 HIBDRN CC(C)C[C@@H](C)Oc1cc(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000552246370 941612661 /nfs/dbraw/zinc/61/26/61/941612661.db2.gz RUJZADBWUYUGPC-VGOFRKELSA-N 0 0 423.517 4.416 20 5 HIBDRN Cc1cc(F)ccc1N1CCC[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552244153 941613047 /nfs/dbraw/zinc/61/30/47/941613047.db2.gz WEHVKCLPGLETHC-KNQAVFIVSA-N 0 0 423.492 4.124 20 5 HIBDRN Cn1ccnc1[C@H](NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000552252790 941614590 /nfs/dbraw/zinc/61/45/90/941614590.db2.gz XSCZTQDSPCBWNS-KSEOMHKRSA-N 0 0 406.486 4.175 20 5 HIBDRN CC(=O)c1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)ccc1F ZINC000552284489 941622541 /nfs/dbraw/zinc/62/25/41/941622541.db2.gz BTQMQUZUGLCHNK-UHFFFAOYSA-N 0 0 410.405 4.050 20 5 HIBDRN COc1cc(CN2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552300471 941626658 /nfs/dbraw/zinc/62/66/58/941626658.db2.gz IZCNQYIMGVIKEM-MRXNPFEDSA-N 0 0 408.442 4.118 20 5 HIBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000552349181 941640548 /nfs/dbraw/zinc/64/05/48/941640548.db2.gz BBZZFSCPWGOYLF-UHFFFAOYSA-N 0 0 419.812 4.291 20 5 HIBDRN CC[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)OCCc2ccccc21 ZINC000552363832 941644995 /nfs/dbraw/zinc/64/49/95/941644995.db2.gz LIUHEOLXHUAGAS-IBGZPJMESA-N 0 0 408.376 4.222 20 5 HIBDRN COc1cc(CNc2ccc([C@@H]3CCOC3)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000552382568 941651600 /nfs/dbraw/zinc/65/16/00/941651600.db2.gz XJQPLLCYCHEISR-CQSZACIVSA-N 0 0 408.401 4.363 20 5 HIBDRN COc1cc(C(=O)N(Cc2cccs2)C2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000552397352 941656931 /nfs/dbraw/zinc/65/69/31/941656931.db2.gz ZJQNCTFGEIFGQK-UHFFFAOYSA-N 0 0 408.479 4.475 20 5 HIBDRN COc1cc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000552423222 941666588 /nfs/dbraw/zinc/66/65/88/941666588.db2.gz YFJSUYOGLZLCKQ-RPWUZVMVSA-N 0 0 424.497 4.326 20 5 HIBDRN Cc1nnc(N(CCC(C)C)C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000552506341 941690438 /nfs/dbraw/zinc/69/04/38/941690438.db2.gz DYRQJIFRTKOPHH-UHFFFAOYSA-N 0 0 408.458 4.305 20 5 HIBDRN COCc1c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])sc2cccc(F)c21 ZINC000552606987 941720742 /nfs/dbraw/zinc/72/07/42/941720742.db2.gz LWOGZLAUUZRIBX-UHFFFAOYSA-N 0 0 402.447 4.410 20 5 HIBDRN CC(C)c1nc(C2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)no1 ZINC000552609219 941721532 /nfs/dbraw/zinc/72/15/32/941721532.db2.gz XODAGTWRDLBYFD-UHFFFAOYSA-N 0 0 416.481 4.208 20 5 HIBDRN CN(CC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1)c1ccccc1[N+](=O)[O-] ZINC000552609833 941722311 /nfs/dbraw/zinc/72/23/11/941722311.db2.gz UJPCFHNIJXSPRH-OAQYLSRUSA-N 0 0 403.429 4.120 20 5 HIBDRN CC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000552645282 941729160 /nfs/dbraw/zinc/72/91/60/941729160.db2.gz ABSAWAYIHFBFSN-OAHLLOKOSA-N 0 0 423.263 4.256 20 5 HIBDRN Cc1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc([N+](=O)[O-])c1 ZINC000552677678 941735408 /nfs/dbraw/zinc/73/54/08/941735408.db2.gz MWZKTUHIKPQKFS-GOSISDBHSA-N 0 0 405.857 4.263 20 5 HIBDRN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000552707627 941741929 /nfs/dbraw/zinc/74/19/29/941741929.db2.gz NFMFLHZGCYDABK-UHFFFAOYSA-N 0 0 421.429 4.416 20 5 HIBDRN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(F)c(Br)c(Cl)c1 ZINC000552757769 941753790 /nfs/dbraw/zinc/75/37/90/941753790.db2.gz NBSVATRXBAEWLT-UHFFFAOYSA-N 0 0 403.591 4.167 20 5 HIBDRN O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000552827869 941780276 /nfs/dbraw/zinc/78/02/76/941780276.db2.gz YSAJKBUWDGGLFY-FYSMJZIKSA-N 0 0 416.452 4.328 20 5 HIBDRN C[C@H](C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000552920429 941803086 /nfs/dbraw/zinc/80/30/86/941803086.db2.gz UTAQBHBPKVFLOE-INIZCTEOSA-N 0 0 402.454 4.295 20 5 HIBDRN CC(=O)c1cc(NC[C@H]2CCN(c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000552951608 941806901 /nfs/dbraw/zinc/80/69/01/941806901.db2.gz ALLQJLZYQBMZIF-CQSZACIVSA-N 0 0 418.291 4.498 20 5 HIBDRN O=[N+]([O-])c1cc2c(ncnc2NCc2ccc(N3CCc4ccccc4C3)nc2)s1 ZINC000552958739 941808836 /nfs/dbraw/zinc/80/88/36/941808836.db2.gz AREXSYGXFKJZDN-UHFFFAOYSA-N 0 0 418.482 4.169 20 5 HIBDRN CC(=O)c1cc(NCCc2cn3cc(Br)cc(C)c3n2)ccc1[N+](=O)[O-] ZINC000553162496 941842993 /nfs/dbraw/zinc/84/29/93/941842993.db2.gz YMOPPNKUFMIZED-UHFFFAOYSA-N 0 0 417.263 4.171 20 5 HIBDRN CO[C@H]1C[C@@H](N(C)C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000553191416 941847119 /nfs/dbraw/zinc/84/71/19/941847119.db2.gz RCKKJVGMLKABET-IYBDPMFKSA-N 0 0 403.866 4.110 20 5 HIBDRN COC(=O)c1cc(C(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2OC)cc([N+](=O)[O-])c1 ZINC000553235666 941854005 /nfs/dbraw/zinc/85/40/05/941854005.db2.gz QFFQISZIYBQSHW-LIRRHRJNSA-N 0 0 412.442 4.003 20 5 HIBDRN CCc1ccc([C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C2)cc1 ZINC000553255165 941857075 /nfs/dbraw/zinc/85/70/75/941857075.db2.gz PQHFRUFQTILEID-FQEVSTJZSA-N 0 0 404.470 4.363 20 5 HIBDRN CCOC(=O)C(C)(C)C1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000553265036 941858652 /nfs/dbraw/zinc/85/86/52/941858652.db2.gz YOJLLKFKSGDKRC-UHFFFAOYSA-N 0 0 412.490 4.166 20 5 HIBDRN CCc1cccc2c(C3CCN(c4nc(C(=O)OC)ccc4[N+](=O)[O-])CC3)c[nH]c21 ZINC000553287102 941860633 /nfs/dbraw/zinc/86/06/33/941860633.db2.gz AOKOOCDMXIJZAA-UHFFFAOYSA-N 0 0 408.458 4.204 20 5 HIBDRN COc1ccc2[nH]cc(C3CCN(c4ncnc5sc([N+](=O)[O-])cc54)CC3)c2c1 ZINC000553331919 941868988 /nfs/dbraw/zinc/86/89/88/941868988.db2.gz CEPYTQONVUGLGC-UHFFFAOYSA-N 0 0 409.471 4.473 20 5 HIBDRN C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000553360412 941872557 /nfs/dbraw/zinc/87/25/57/941872557.db2.gz NLZSBONHLGPEMS-ZDUSSCGKSA-N 0 0 417.416 4.285 20 5 HIBDRN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553378863 941875718 /nfs/dbraw/zinc/87/57/18/941875718.db2.gz BQOWQMFDAXHVFH-ACJLOTCBSA-N 0 0 408.376 4.145 20 5 HIBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000553422940 941882509 /nfs/dbraw/zinc/88/25/09/941882509.db2.gz SIGOQSYZXNJFPG-BLLLJJGKSA-N 0 0 416.524 4.029 20 5 HIBDRN O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000553430163 941883059 /nfs/dbraw/zinc/88/30/59/941883059.db2.gz KQSDGIFNQDPRED-INIZCTEOSA-N 0 0 408.241 4.236 20 5 HIBDRN COc1ccc(-c2csc(CNc3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)c2)cc1 ZINC000553488777 941894787 /nfs/dbraw/zinc/89/47/87/941894787.db2.gz CDMHCBLGLZZVQE-UHFFFAOYSA-N 0 0 408.439 4.593 20 5 HIBDRN O=C1CSc2ccc(Nc3ncc([N+](=O)[O-])cc3Cl)cc2N1CC(F)F ZINC000553560030 941909048 /nfs/dbraw/zinc/90/90/48/941909048.db2.gz UBKHWBXOYDIMFV-UHFFFAOYSA-N 0 0 400.794 4.091 20 5 HIBDRN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000553646119 941931761 /nfs/dbraw/zinc/93/17/61/941931761.db2.gz KPMMFZVPXPGYIW-GFCCVEGCSA-N 0 0 411.355 4.104 20 5 HIBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCCN(c2ccccc2F)CC1 ZINC000553656275 941936277 /nfs/dbraw/zinc/93/62/77/941936277.db2.gz MWMWVBRCTUVBCG-UHFFFAOYSA-N 0 0 420.444 4.148 20 5 HIBDRN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000553663053 941937906 /nfs/dbraw/zinc/93/79/06/941937906.db2.gz XOERXPDVYVCJNP-HXUWFJFHSA-N 0 0 409.486 4.353 20 5 HIBDRN COC(=O)c1ccccc1C(=O)c1ccc(NCCSC(C)C)c([N+](=O)[O-])c1 ZINC000553664228 941938618 /nfs/dbraw/zinc/93/86/18/941938618.db2.gz OSJCLGSNLDQUKC-UHFFFAOYSA-N 0 0 402.472 4.166 20 5 HIBDRN Cc1cccc(C)c1Oc1ccccc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000553710855 941949055 /nfs/dbraw/zinc/94/90/55/941949055.db2.gz CAULEXNKWWJZRZ-UHFFFAOYSA-N 0 0 419.437 4.259 20 5 HIBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553721807 941951988 /nfs/dbraw/zinc/95/19/88/941951988.db2.gz KBAGVMDRNGNDLZ-DIFFPNOSSA-N 0 0 412.339 4.355 20 5 HIBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000553726855 941953952 /nfs/dbraw/zinc/95/39/52/941953952.db2.gz OAXJXODSPLFQLQ-UHFFFAOYSA-N 0 0 410.449 4.130 20 5 HIBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000553774435 941964995 /nfs/dbraw/zinc/96/49/95/941964995.db2.gz SPCQRBSTPPWDOY-QGZVFWFLSA-N 0 0 409.364 4.444 20 5 HIBDRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)nn1C ZINC000553844901 941982107 /nfs/dbraw/zinc/98/21/07/941982107.db2.gz HDNANCAKEVLNGH-UHFFFAOYSA-N 0 0 403.851 4.089 20 5 HIBDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000553857797 941984629 /nfs/dbraw/zinc/98/46/29/941984629.db2.gz FLVXUUKHIJXEJQ-BJOHPYRUSA-N 0 0 400.378 4.107 20 5 HIBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1SC ZINC000554117711 942040603 /nfs/dbraw/zinc/04/06/03/942040603.db2.gz DLYSCDLFIBIXGG-RBUKOAKNSA-N 0 0 416.499 4.301 20 5 HIBDRN COc1ccc(CC(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000554126481 942043011 /nfs/dbraw/zinc/04/30/11/942043011.db2.gz CIDJUOYWFSBJPC-CYBMUJFWSA-N 0 0 410.392 4.254 20 5 HIBDRN CC(C)CCOc1ccccc1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000554164105 942053460 /nfs/dbraw/zinc/05/34/60/942053460.db2.gz VRKUBLXUNAIEIK-UHFFFAOYSA-N 0 0 409.442 4.204 20 5 HIBDRN CC(C)[C@H](CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1 ZINC000554307457 942097850 /nfs/dbraw/zinc/09/78/50/942097850.db2.gz QNIKUXCZKRBXMJ-SFHVURJKSA-N 0 0 419.913 4.231 20 5 HIBDRN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000554776467 942232514 /nfs/dbraw/zinc/23/25/14/942232514.db2.gz OGAVKWKORGHTRF-ZAAXVRCTSA-N 0 0 400.500 4.398 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1[nH]c2ccccc2c1Br ZINC000554827622 942266507 /nfs/dbraw/zinc/26/65/07/942266507.db2.gz FMVBMRNHFHBSON-UHFFFAOYSA-N 0 0 402.248 4.153 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)c(Br)c1 ZINC000554844919 942283535 /nfs/dbraw/zinc/28/35/35/942283535.db2.gz JIDHQOFHYXIWQI-UHFFFAOYSA-N 0 0 415.125 4.488 20 5 HIBDRN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000554850800 942288859 /nfs/dbraw/zinc/28/88/59/942288859.db2.gz PMDXSHWJTZFIFI-HXUWFJFHSA-N 0 0 402.425 4.246 20 5 HIBDRN COc1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000554860649 942296263 /nfs/dbraw/zinc/29/62/63/942296263.db2.gz XKLCWHDGHPLJEG-UHFFFAOYSA-N 0 0 408.252 4.072 20 5 HIBDRN COc1cc(C)c([C@H](C)NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1OC ZINC000554867954 942300320 /nfs/dbraw/zinc/30/03/20/942300320.db2.gz WYJQJVRHEYRFMZ-NSHDSACASA-N 0 0 412.364 4.430 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000554958714 942333802 /nfs/dbraw/zinc/33/38/02/942333802.db2.gz BGSMZORLOANUCS-GFCCVEGCSA-N 0 0 424.284 4.309 20 5 HIBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2C(C)=O)c1 ZINC000554962660 942335941 /nfs/dbraw/zinc/33/59/41/942335941.db2.gz ZOTGBPALOXKCOG-UHFFFAOYSA-N 0 0 407.220 4.211 20 5 HIBDRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 ZINC000555018921 942358724 /nfs/dbraw/zinc/35/87/24/942358724.db2.gz AVWSOYWUGSRSOG-NSHDSACASA-N 0 0 410.348 4.218 20 5 HIBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(Br)c1Cl ZINC000555032024 942364065 /nfs/dbraw/zinc/36/40/65/942364065.db2.gz JVYLVKSLIMMQFE-UHFFFAOYSA-N 0 0 414.643 4.341 20 5 HIBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000555035235 942364479 /nfs/dbraw/zinc/36/44/79/942364479.db2.gz MSQQLPZYDOXHPG-REPLKXPHSA-N 0 0 407.470 4.033 20 5 HIBDRN Cc1ccc(Cc2ccccn2)cc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000555038593 942366411 /nfs/dbraw/zinc/36/64/11/942366411.db2.gz IYUZEYRIUQWJIO-UHFFFAOYSA-N 0 0 416.441 4.087 20 5 HIBDRN Cc1cc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555193847 942426059 /nfs/dbraw/zinc/42/60/59/942426059.db2.gz POWGQRDRFAHNFL-CQSZACIVSA-N 0 0 400.319 4.452 20 5 HIBDRN COc1ccc([N+](=O)[O-])c(N2CCC(c3nc(-c4ccccc4OC)no3)CC2)c1 ZINC000555201925 942429916 /nfs/dbraw/zinc/42/99/16/942429916.db2.gz PATBAUZKMSGFCG-UHFFFAOYSA-N 0 0 410.430 4.046 20 5 HIBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(C2CCCC2)n1C[C@@H]1CCCCO1 ZINC000555218198 942434647 /nfs/dbraw/zinc/43/46/47/942434647.db2.gz 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CC[C@@H](CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)OC ZINC000570622484 947318118 /nfs/dbraw/zinc/31/81/18/947318118.db2.gz OBAFSDOCULUSKZ-AWEZNQCLSA-N 0 0 408.838 4.204 20 5 HIBDRN Cc1ccc(CN(CCn2ccnc2)Cc2ccc(Br)o2)cc1[N+](=O)[O-] ZINC000570729331 947337651 /nfs/dbraw/zinc/33/76/51/947337651.db2.gz HFGGOIJCNKBBCT-UHFFFAOYSA-N 0 0 419.279 4.158 20 5 HIBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000570828199 947364022 /nfs/dbraw/zinc/36/40/22/947364022.db2.gz BGPZOHFNLNFYLF-UHFFFAOYSA-N 0 0 424.403 4.419 20 5 HIBDRN COc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c(C)c1OC ZINC000570846778 947367788 /nfs/dbraw/zinc/36/77/88/947367788.db2.gz OCPOGNRJUUDZIH-OAHLLOKOSA-N 0 0 413.474 4.330 20 5 HIBDRN O=[N+]([O-])c1ccn(Cc2nc(C3(c4cc(Cl)ccc4Cl)CCCC3)no2)n1 ZINC000570856131 947370766 /nfs/dbraw/zinc/37/07/66/947370766.db2.gz WUFHENNUORMZIS-UHFFFAOYSA-N 0 0 408.245 4.390 20 5 HIBDRN CC(C)Cn1c(Sc2ncnc3sc([N+](=O)[O-])cc32)nnc1-c1ccco1 ZINC000570873999 947378556 /nfs/dbraw/zinc/37/85/56/947378556.db2.gz LQBNJACTSWKKSM-UHFFFAOYSA-N 0 0 402.461 4.258 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H](c1ccccc1)C(F)(F)F ZINC000570999722 947419734 /nfs/dbraw/zinc/41/97/34/947419734.db2.gz OXCSRRCDVVUPQL-QGZVFWFLSA-N 0 0 420.391 4.264 20 5 HIBDRN C[C@@H](C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000571023111 947443067 /nfs/dbraw/zinc/44/30/67/947443067.db2.gz NZVCBGYVRWZAEW-LLVKDONJSA-N 0 0 410.257 4.102 20 5 HIBDRN Cc1cc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(Cl)cc1F ZINC000571201631 947542974 /nfs/dbraw/zinc/54/29/74/947542974.db2.gz RWCIDCLXROHNCN-UHFFFAOYSA-N 0 0 407.785 4.023 20 5 HIBDRN COc1cc(OC)c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000571346211 947609086 /nfs/dbraw/zinc/60/90/86/947609086.db2.gz PQVBIONCJOCPIK-JTQLQIEISA-N 0 0 409.236 4.117 20 5 HIBDRN CC(C)[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCCO2)C1 ZINC000571415443 947635148 /nfs/dbraw/zinc/63/51/48/947635148.db2.gz 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O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N[C@H]1CCCOC1 ZINC000571801722 947789480 /nfs/dbraw/zinc/78/94/80/947789480.db2.gz QXKOXKMMTMBGNQ-MOKGIYGOSA-N 0 0 423.494 4.430 20 5 HIBDRN COc1cc(CNCc2c(F)cccc2SC)c([N+](=O)[O-])cc1OCC(F)F ZINC000571842175 947802803 /nfs/dbraw/zinc/80/28/03/947802803.db2.gz PQRFUYQEGZCRSB-UHFFFAOYSA-N 0 0 416.421 4.398 20 5 HIBDRN Cc1cc(C(=O)N2CCOCC2)ccc1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000572022625 947830213 /nfs/dbraw/zinc/83/02/13/947830213.db2.gz LYQUVDIFFQGIRV-UHFFFAOYSA-N 0 0 421.453 4.248 20 5 HIBDRN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000572064866 947838082 /nfs/dbraw/zinc/83/80/82/947838082.db2.gz KUAXFOIKZLZXSQ-HNNXBMFYSA-N 0 0 402.756 4.385 20 5 HIBDRN COc1cc2c(cc1Cl)CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC2 ZINC000572154938 947851384 /nfs/dbraw/zinc/85/13/84/947851384.db2.gz UZGFOJPPUJEULK-UHFFFAOYSA-N 0 0 414.767 4.474 20 5 HIBDRN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Oc2cccnc2)cc1 ZINC000572387004 947892173 /nfs/dbraw/zinc/89/21/73/947892173.db2.gz FPSBNHJRHWDFKP-ZDUSSCGKSA-N 0 0 407.382 4.002 20 5 HIBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000572398518 947894104 /nfs/dbraw/zinc/89/41/04/947894104.db2.gz PAXKZHCROCQGFU-OAHLLOKOSA-N 0 0 418.291 4.298 20 5 HIBDRN COc1cc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)ccn1 ZINC000572402996 947895128 /nfs/dbraw/zinc/89/51/28/947895128.db2.gz OYNMVCCCCHWTPY-UHFFFAOYSA-N 0 0 402.457 4.167 20 5 HIBDRN Cc1ccc(Br)c(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000572441733 947907168 /nfs/dbraw/zinc/90/71/68/947907168.db2.gz VFYQOOPGWLBRTR-UHFFFAOYSA-N 0 0 402.248 4.120 20 5 HIBDRN Cc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnn1-c1ccc(Cl)cc1 ZINC000572523326 947928854 /nfs/dbraw/zinc/92/88/54/947928854.db2.gz DSDQPOFGFQNZRH-UHFFFAOYSA-N 0 0 422.832 4.180 20 5 HIBDRN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c(F)ccc(Br)c1F ZINC000572642666 947965754 /nfs/dbraw/zinc/96/57/54/947965754.db2.gz 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CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2cccc(SC)c2[N+](=O)[O-])n1 ZINC000573365928 948169707 /nfs/dbraw/zinc/16/97/07/948169707.db2.gz AJLVOQCUEDBRPL-HXUWFJFHSA-N 0 0 412.471 4.422 20 5 HIBDRN Cc1ccc(NC(=O)c2ccc(N[C@H](c3nncn3C)C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000573586972 948242503 /nfs/dbraw/zinc/24/25/03/948242503.db2.gz AOYFZOKALNYCIT-IBGZPJMESA-N 0 0 408.462 4.093 20 5 HIBDRN Cc1c(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cnn1-c1ccc(Cl)cc1 ZINC000573650679 948267541 /nfs/dbraw/zinc/26/75/41/948267541.db2.gz GECVHBPKTWWAGY-UHFFFAOYSA-N 0 0 423.816 4.248 20 5 HIBDRN C[C@H](C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000573758130 948290861 /nfs/dbraw/zinc/29/08/61/948290861.db2.gz IGAXMIOXSVEAPR-INIZCTEOSA-N 0 0 403.438 4.267 20 5 HIBDRN CC(C)c1c(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000573789392 948299694 /nfs/dbraw/zinc/29/96/94/948299694.db2.gz HJQSFYJICUKWBW-UHFFFAOYSA-N 0 0 413.865 4.268 20 5 HIBDRN CC(=O)c1cc(F)c(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(F)c1 ZINC000573824252 948302868 /nfs/dbraw/zinc/30/28/68/948302868.db2.gz OGABMVBQXIYWBA-UHFFFAOYSA-N 0 0 413.174 4.399 20 5 HIBDRN COc1c(-c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)cccc1[N+](=O)[O-] ZINC000573842338 948309208 /nfs/dbraw/zinc/30/92/08/948309208.db2.gz AWJJUJYTBDFQFV-UHFFFAOYSA-N 0 0 423.212 4.141 20 5 HIBDRN CCn1c2ccc(F)cc2nc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000573868522 948314343 /nfs/dbraw/zinc/31/43/43/948314343.db2.gz BPGICYZIOJQZCY-UHFFFAOYSA-N 0 0 421.226 4.427 20 5 HIBDRN COc1cc(Cc2noc(-c3ccc(Oc4ccccc4)cn3)n2)ccc1[N+](=O)[O-] ZINC000574001381 948346357 /nfs/dbraw/zinc/34/63/57/948346357.db2.gz RWCZNEUHKIXOSM-UHFFFAOYSA-N 0 0 404.382 4.432 20 5 HIBDRN COCc1nc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cs1 ZINC000574005083 948347332 /nfs/dbraw/zinc/34/73/32/948347332.db2.gz CWAQMRMRXFGGBW-UHFFFAOYSA-N 0 0 403.435 4.419 20 5 HIBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000574072033 948356968 /nfs/dbraw/zinc/35/69/68/948356968.db2.gz OWJPUCQSLMPNBZ-AWEZNQCLSA-N 0 0 409.284 4.232 20 5 HIBDRN CC(C)(NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1ccccc1[N+](=O)[O-] ZINC000574184609 948382053 /nfs/dbraw/zinc/38/20/53/948382053.db2.gz LJWWEWSBZXYQEY-UHFFFAOYSA-N 0 0 411.439 4.112 20 5 HIBDRN COC(=O)c1cc(C(C)(C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)no1 ZINC000574202539 948386438 /nfs/dbraw/zinc/38/64/38/948386438.db2.gz GHYDZWUNURUBCM-UHFFFAOYSA-N 0 0 401.444 4.123 20 5 HIBDRN COCCC[C@@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000574226212 948391748 /nfs/dbraw/zinc/39/17/48/948391748.db2.gz JNFPLKPEROWDJO-INIZCTEOSA-N 0 0 406.866 4.197 20 5 HIBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3OC(F)F)no2)[nH]1 ZINC000574247295 948398828 /nfs/dbraw/zinc/39/88/28/948398828.db2.gz OKJDVWCPBUBKGW-UHFFFAOYSA-N 0 0 401.123 4.004 20 5 HIBDRN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000574317146 948409583 /nfs/dbraw/zinc/40/95/83/948409583.db2.gz LIMIXXHKDMGKFI-SFHVURJKSA-N 0 0 418.515 4.455 20 5 HIBDRN Cc1cc(C(C)(C)NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1Br ZINC000574343843 948417255 /nfs/dbraw/zinc/41/72/55/948417255.db2.gz PMSRHXGPVSATDQ-UHFFFAOYSA-N 0 0 421.247 4.060 20 5 HIBDRN CCOc1cc(Br)c(F)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000574526467 948463318 /nfs/dbraw/zinc/46/33/18/948463318.db2.gz DXVXRLYSLWQTHA-UHFFFAOYSA-N 0 0 411.227 4.385 20 5 HIBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(CC)OCCc2ccccc21 ZINC000574851548 948544517 /nfs/dbraw/zinc/54/45/17/948544517.db2.gz RCQPRJWNTQRQQT-OAQYLSRUSA-N 0 0 400.500 4.315 20 5 HIBDRN O=c1c2ccccc2[nH]c2ccc(-c3nc(-c4ccc(Cn5cncn5)cc4)no3)cc21 ZINC000574942250 948559908 /nfs/dbraw/zinc/55/99/08/948559908.db2.gz LEFHIURGJPTRHK-UHFFFAOYSA-N 0 0 420.432 4.038 20 5 HIBDRN COc1cc(CN2CC3(CCC3(F)F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000575034852 948579570 /nfs/dbraw/zinc/57/95/70/948579570.db2.gz FOCQAHJWVFEPGQ-UHFFFAOYSA-N 0 0 404.413 4.414 20 5 HIBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000575066838 948583879 /nfs/dbraw/zinc/58/38/79/948583879.db2.gz IDLGOXRSGWCKTN-UHFFFAOYSA-N 0 0 424.301 4.121 20 5 HIBDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000575354120 948652509 /nfs/dbraw/zinc/65/25/09/948652509.db2.gz QHZBSSHVYWZZCR-NRFANRHFSA-N 0 0 400.356 4.460 20 5 HIBDRN C[C@@H](C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000575737088 948691762 /nfs/dbraw/zinc/69/17/62/948691762.db2.gz XHSRMECYKIQVRL-OAHLLOKOSA-N 0 0 421.428 4.406 20 5 HIBDRN CC(=O)NCCN(Cc1ccc(C)s1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000575756566 948695080 /nfs/dbraw/zinc/69/50/80/948695080.db2.gz NCAABQKGKJFXKM-UHFFFAOYSA-N 0 0 415.437 4.122 20 5 HIBDRN Cc1cc(Sc2ncccn2)ccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000575780720 948704101 /nfs/dbraw/zinc/70/41/01/948704101.db2.gz QFOFKYNUMHNGGU-UHFFFAOYSA-N 0 0 416.409 4.304 20 5 HIBDRN COc1ccc(-n2ccnc2SCc2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)cc1 ZINC000575843932 948738981 /nfs/dbraw/zinc/73/89/81/948738981.db2.gz DUPVPIGCNKBBID-UHFFFAOYSA-N 0 0 423.454 4.440 20 5 HIBDRN